smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nn(C)c(NC[C@H]2CC[C@@H](c3ccccc3)O2)c1[N+](=O)[O-] ZINC000368178083 168321073 /nfs/dbraw/zinc/32/10/73/168321073.db2.gz RNEYWESSBBQRNB-HIFRSBDPSA-N 0 0 330.388 3.223 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC1CCN(CC(F)(F)F)CC1 ZINC000175060567 231378393 /nfs/dbraw/zinc/37/83/93/231378393.db2.gz KIQMJCAVHUGPPT-UHFFFAOYSA-N 0 0 347.337 3.180 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000192624754 529601784 /nfs/dbraw/zinc/60/17/84/529601784.db2.gz RXJQFFQEPAJAFH-NHYWBVRUSA-N 0 0 348.378 3.225 10 5 EGBERN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NC1CCCCCC1 ZINC000015582708 201957801 /nfs/dbraw/zinc/95/78/01/201957801.db2.gz ZXPLSDUEHYJMSL-BQYQJAHWSA-N 0 0 346.383 3.314 10 5 EGBERN Cc1nn(CCC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000103054527 219250510 /nfs/dbraw/zinc/25/05/10/219250510.db2.gz LSNAKXUMDWMLJO-CABCVRRESA-N 0 0 336.436 3.129 10 5 EGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(Cl)c1 ZINC000037975705 202072236 /nfs/dbraw/zinc/07/22/36/202072236.db2.gz YGVNSUQXWYGDRH-UHFFFAOYSA-N 0 0 348.167 3.097 10 5 EGBERN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000025834714 202136812 /nfs/dbraw/zinc/13/68/12/202136812.db2.gz TWOZLRSQJFWJLD-CYBMUJFWSA-N 0 0 344.415 3.097 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1C ZINC000187804451 236305686 /nfs/dbraw/zinc/30/56/86/236305686.db2.gz JMNCSWAMMRFLIY-TVQRCGJNSA-N 0 0 346.305 3.111 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000193916140 240361821 /nfs/dbraw/zinc/36/18/21/240361821.db2.gz JVMZBICCXIFPDB-LLVKDONJSA-N 0 0 336.413 3.146 10 5 EGBERN CCOc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040659637 202457062 /nfs/dbraw/zinc/45/70/62/202457062.db2.gz BHNHXAYISLDGKZ-UHFFFAOYSA-N 0 0 340.133 3.338 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000046718550 201106930 /nfs/dbraw/zinc/10/69/30/201106930.db2.gz YGPQTRMBPZSUMI-NSHDSACASA-N 0 0 346.339 3.164 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000046718552 201107613 /nfs/dbraw/zinc/10/76/13/201107613.db2.gz YGPQTRMBPZSUMI-LLVKDONJSA-N 0 0 346.339 3.164 10 5 EGBERN C[C@H](c1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O ZINC000090629098 201371709 /nfs/dbraw/zinc/37/17/09/201371709.db2.gz IEMRMOYBXBZCGZ-CXAGYDPISA-N 0 0 326.352 3.256 10 5 EGBERN Cc1nc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2o1 ZINC000048245633 202595335 /nfs/dbraw/zinc/59/53/35/202595335.db2.gz GLUMFTPTENTRLX-UHFFFAOYSA-N 0 0 330.275 3.018 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192078350 239492281 /nfs/dbraw/zinc/49/22/81/239492281.db2.gz AMUDHPPSRNTKEU-MRXNPFEDSA-N 0 0 326.352 3.339 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000340971949 241633372 /nfs/dbraw/zinc/63/33/72/241633372.db2.gz FYKIRKXPQJHTIU-KRWDZBQOSA-N 0 0 340.379 3.476 10 5 EGBERN CC(=O)N1N=C(c2cccs2)O[C@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000021091171 212206279 /nfs/dbraw/zinc/20/62/79/212206279.db2.gz GCOZQIUXDSJQMB-OAHLLOKOSA-N 0 0 331.353 3.070 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000005020739 201633430 /nfs/dbraw/zinc/63/34/30/201633430.db2.gz FBWHKKZYNMQUNB-UHFFFAOYSA-N 0 0 344.348 3.486 10 5 EGBERN CCc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C)o1 ZINC000069708658 203041062 /nfs/dbraw/zinc/04/10/62/203041062.db2.gz VMDHOPFCRHUWBR-INIZCTEOSA-N 0 0 348.403 3.159 10 5 EGBERN CCS[C@@H]1CCCC[C@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000075105377 203301041 /nfs/dbraw/zinc/30/10/41/203301041.db2.gz MMTIGZNZAWCXEH-VXGBXAGGSA-N 0 0 348.428 3.079 10 5 EGBERN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000119520885 284161117 /nfs/dbraw/zinc/16/11/17/284161117.db2.gz CNBBNXVJGKSMQO-SNVBAGLBSA-N 0 0 348.668 3.005 10 5 EGBERN Cc1cnc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000079747895 203449358 /nfs/dbraw/zinc/44/93/58/203449358.db2.gz NOHHMPQHSGDDDH-UHFFFAOYSA-N 0 0 325.415 3.395 10 5 EGBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000342987140 284175935 /nfs/dbraw/zinc/17/59/35/284175935.db2.gz DUCCYHXRMBCWLC-LBPRGKRZSA-N 0 0 335.747 3.220 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095083258 203711914 /nfs/dbraw/zinc/71/19/14/203711914.db2.gz MHQBSPRJNIQPCT-SNVBAGLBSA-N 0 0 348.359 3.157 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1cc(F)c(F)cc1Cl ZINC000097034910 203910604 /nfs/dbraw/zinc/91/06/04/203910604.db2.gz TUQFVIHNHLVDNQ-UHFFFAOYSA-N 0 0 344.705 3.304 10 5 EGBERN CCOC(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2C)c1C(F)F ZINC000264177522 246142521 /nfs/dbraw/zinc/14/25/21/246142521.db2.gz PERWMCLIGZMCHH-UHFFFAOYSA-N 0 0 339.298 3.262 10 5 EGBERN COCCN(Cc1ccc(C)o1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000158769845 206209443 /nfs/dbraw/zinc/20/94/43/206209443.db2.gz SEHADAHESVREFU-UHFFFAOYSA-N 0 0 332.356 3.093 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000342719491 284526565 /nfs/dbraw/zinc/52/65/65/284526565.db2.gz DXMQWXJFYMXFQE-AWEZNQCLSA-N 0 0 342.355 3.043 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)C ZINC000161110151 206328110 /nfs/dbraw/zinc/32/81/10/206328110.db2.gz KMMIXAOZQFQCGW-LLVKDONJSA-N 0 0 326.418 3.108 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000265996393 248009203 /nfs/dbraw/zinc/00/92/03/248009203.db2.gz DCVYZFPZLYHLRN-HNNXBMFYSA-N 0 0 326.352 3.384 10 5 EGBERN Cn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1 ZINC000376819867 168951009 /nfs/dbraw/zinc/95/10/09/168951009.db2.gz WJLHWEADROQYIN-UHFFFAOYSA-N 0 0 338.327 3.034 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377292253 169007141 /nfs/dbraw/zinc/00/71/41/169007141.db2.gz PZOHIESMCXLADJ-CYBMUJFWSA-N 0 0 340.383 3.185 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000378387352 169111270 /nfs/dbraw/zinc/11/12/70/169111270.db2.gz DEGKEUXTDUSDEN-DOMZBBRYSA-N 0 0 332.381 3.164 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378384614 169111909 /nfs/dbraw/zinc/11/19/09/169111909.db2.gz BURXZINNHMNRQS-WBVHZDCISA-N 0 0 326.352 3.102 10 5 EGBERN COc1cc(OCC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000378620290 169147643 /nfs/dbraw/zinc/14/76/43/169147643.db2.gz SHBRPDAYVVAUJL-ACJLOTCBSA-N 0 0 348.399 3.021 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000175127895 207096587 /nfs/dbraw/zinc/09/65/87/207096587.db2.gz BAMRDAYSJSLAGE-CQSZACIVSA-N 0 0 342.399 3.020 10 5 EGBERN CC1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000267689158 251257528 /nfs/dbraw/zinc/25/75/28/251257528.db2.gz JNSVQJAHHZKQDD-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CC[C@@H](NC(=O)CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000177782618 207395845 /nfs/dbraw/zinc/39/58/45/207395845.db2.gz UDLWGVYUAHIEAD-MRXNPFEDSA-N 0 0 331.372 3.400 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000177839384 207403523 /nfs/dbraw/zinc/40/35/23/207403523.db2.gz BRVJNGQGIHZPBY-ZDUSSCGKSA-N 0 0 328.368 3.419 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000268861787 252310213 /nfs/dbraw/zinc/31/02/13/252310213.db2.gz RPODZNLKJAEALX-UGSOOPFHSA-N 0 0 344.367 3.108 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000048289694 285090756 /nfs/dbraw/zinc/09/07/56/285090756.db2.gz XPUCMJNBKWKIPR-GFCCVEGCSA-N 0 0 333.779 3.119 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)cc1C(F)(F)F ZINC000267023377 285129247 /nfs/dbraw/zinc/12/92/47/285129247.db2.gz JZAJCQGNBGJOCC-JTQLQIEISA-N 0 0 344.211 3.117 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220574 257975350 /nfs/dbraw/zinc/97/53/50/257975350.db2.gz ZGTSBTGVDPOYAV-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1C ZINC000187804410 533273405 /nfs/dbraw/zinc/27/34/05/533273405.db2.gz JMNCSWAMMRFLIY-ZANVPECISA-N 0 0 346.305 3.111 10 5 EGBERN CO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187604126 533463020 /nfs/dbraw/zinc/46/30/20/533463020.db2.gz AZVBAIMEQLLDAM-WOSRLPQWSA-N 0 0 335.404 3.031 10 5 EGBERN O=[N+]([O-])c1c(N2CCCC2)ncnc1N1CCCc2ccccc21 ZINC000040609059 132403588 /nfs/dbraw/zinc/40/35/88/132403588.db2.gz RNUUBLCRLGTPGB-UHFFFAOYSA-N 0 0 325.372 3.069 10 5 EGBERN CC(C)CCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000040647692 132404624 /nfs/dbraw/zinc/40/46/24/132404624.db2.gz ZJWKZMAIEMMBPG-UHFFFAOYSA-N 0 0 341.415 3.406 10 5 EGBERN CSc1ccc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000030577528 140798563 /nfs/dbraw/zinc/79/85/63/140798563.db2.gz KMLCHKAUWWANJX-UHFFFAOYSA-N 0 0 330.365 3.356 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000338083552 141090246 /nfs/dbraw/zinc/09/02/46/141090246.db2.gz BDEPDOQVXAHLSL-AWEZNQCLSA-N 0 0 348.305 3.299 10 5 EGBERN Cc1nc(C(F)(F)F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000338097020 141093160 /nfs/dbraw/zinc/09/31/60/141093160.db2.gz NCPAHFRXLLFFGQ-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN COc1cc(CN[C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000339462464 141116795 /nfs/dbraw/zinc/11/67/95/141116795.db2.gz PQIHVXMGBUSBMN-LLVKDONJSA-N 0 0 347.318 3.453 10 5 EGBERN CC(C)[C@@H](C)N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000341186109 141134353 /nfs/dbraw/zinc/13/43/53/141134353.db2.gz LCNXJYLNLSBESY-SNVBAGLBSA-N 0 0 326.343 3.451 10 5 EGBERN C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341266239 141147188 /nfs/dbraw/zinc/14/71/88/141147188.db2.gz SYGQUSXBEQRWHZ-VIFPVBQESA-N 0 0 338.285 3.432 10 5 EGBERN Cc1nc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000348149145 141239029 /nfs/dbraw/zinc/23/90/29/141239029.db2.gz VCOLIJALWIUXSK-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000348156346 141240587 /nfs/dbraw/zinc/24/05/87/141240587.db2.gz CAUWXTONACCUQB-UHFFFAOYSA-N 0 0 346.770 3.422 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1ccsc1 ZINC000356252166 141329297 /nfs/dbraw/zinc/32/92/97/141329297.db2.gz KGNRDOYIUWRARS-XJKSGUPXSA-N 0 0 348.424 3.075 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1ccsc1 ZINC000356252164 141329350 /nfs/dbraw/zinc/32/93/50/141329350.db2.gz KGNRDOYIUWRARS-CZUORRHYSA-N 0 0 348.424 3.075 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(C2CC2)cc1 ZINC000360149195 141410517 /nfs/dbraw/zinc/41/05/17/141410517.db2.gz MODZOLSIUVTYPV-UHFFFAOYSA-N 0 0 346.408 3.259 10 5 EGBERN Cc1c(CC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000129854620 143965802 /nfs/dbraw/zinc/96/58/02/143965802.db2.gz JVOODOXBTUZFDF-BBRMVZONSA-N 0 0 340.379 3.127 10 5 EGBERN CN1CCOc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000174699154 144050384 /nfs/dbraw/zinc/05/03/84/144050384.db2.gz BATIGIMLJNURTG-UHFFFAOYSA-N 0 0 347.758 3.329 10 5 EGBERN CCCN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000184124641 144086448 /nfs/dbraw/zinc/08/64/48/144086448.db2.gz XEJSXMUJZQVBKU-UHFFFAOYSA-N 0 0 333.413 3.455 10 5 EGBERN COc1cccc(N[C@H](C)c2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC000185567076 144114951 /nfs/dbraw/zinc/11/49/51/144114951.db2.gz JGLBBOIEIXCIKQ-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186249042 144128979 /nfs/dbraw/zinc/12/89/79/144128979.db2.gz SVAKIOLADNZLST-UHFFFAOYSA-N 0 0 336.351 3.209 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000343189529 144191868 /nfs/dbraw/zinc/19/18/68/144191868.db2.gz APYWKXAZVJHFLG-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN O=c1[nH]c(NCc2ccc(C3CC3)cc2)nc2ccc([N+](=O)[O-])cc21 ZINC000343202884 144194154 /nfs/dbraw/zinc/19/41/54/144194154.db2.gz HASYBZTZKBTCDX-UHFFFAOYSA-N 0 0 336.351 3.155 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC/C=C\c1ccccc1 ZINC000344939748 144244991 /nfs/dbraw/zinc/24/49/91/144244991.db2.gz YJPLKJBTLAXEGI-YVMONPNESA-N 0 0 332.381 3.124 10 5 EGBERN CCOC(=O)c1c(C)onc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000351608058 144287343 /nfs/dbraw/zinc/28/73/43/144287343.db2.gz YPMUXUXESQFWHO-AWEZNQCLSA-N 0 0 347.371 3.309 10 5 EGBERN COC(=O)c1cccnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351828767 144312657 /nfs/dbraw/zinc/31/26/57/144312657.db2.gz IISGCTPXVVJJFB-UHFFFAOYSA-N 0 0 334.353 3.077 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363872437 144373164 /nfs/dbraw/zinc/37/31/64/144373164.db2.gz BFZCDELLNVQFBE-OAHLLOKOSA-N 0 0 333.294 3.245 10 5 EGBERN NC(=O)c1ccc(NCc2cccc(-c3cccnc3)c2)c([N+](=O)[O-])c1 ZINC000373317028 144501840 /nfs/dbraw/zinc/50/18/40/144501840.db2.gz HUDMKGARIDMIGM-UHFFFAOYSA-N 0 0 348.362 3.368 10 5 EGBERN CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000341299778 155235101 /nfs/dbraw/zinc/23/51/01/155235101.db2.gz XYMANORZHOGFAI-CQSZACIVSA-N 0 0 331.376 3.218 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000341299040 155233714 /nfs/dbraw/zinc/23/37/14/155233714.db2.gz VRPPKYBDTOSAPV-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000341303910 155236892 /nfs/dbraw/zinc/23/68/92/155236892.db2.gz OQWVWUCVVNUYGG-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184944889 292229683 /nfs/dbraw/zinc/22/96/83/292229683.db2.gz RZCBEPWTOSURJW-YGRLFVJLSA-N 0 0 344.371 3.087 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000362487855 292229784 /nfs/dbraw/zinc/22/97/84/292229784.db2.gz WJDHAGYMTUBDJQ-RISCZKNCSA-N 0 0 331.372 3.448 10 5 EGBERN COc1cc(CN2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000359883561 286221174 /nfs/dbraw/zinc/22/11/74/286221174.db2.gz WMKINYILKDSSHN-CYBMUJFWSA-N 0 0 328.368 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117576393 152105052 /nfs/dbraw/zinc/10/50/52/152105052.db2.gz QAYVCPVVGCJXAF-HWPZZCPQSA-N 0 0 329.308 3.074 10 5 EGBERN COc1ccc(OCCOCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000121012039 152319386 /nfs/dbraw/zinc/31/93/86/152319386.db2.gz JXDJLUYNXOFHRE-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN CSCCCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000123095024 152441208 /nfs/dbraw/zinc/44/12/08/152441208.db2.gz XWKLTYIBLMOQTC-UHFFFAOYSA-N 0 0 325.434 3.288 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000153010705 152520607 /nfs/dbraw/zinc/52/06/07/152520607.db2.gz UOZHEUGLHMPIEK-INIZCTEOSA-N 0 0 345.355 3.410 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000174596184 152869538 /nfs/dbraw/zinc/86/95/38/152869538.db2.gz BQLXVQDHCCELFQ-CYBMUJFWSA-N 0 0 345.399 3.083 10 5 EGBERN CCOc1ccc(C(=O)NCCCCCSC)cc1[N+](=O)[O-] ZINC000188255374 153007985 /nfs/dbraw/zinc/00/79/85/153007985.db2.gz FFPGXNPPFXUYJQ-UHFFFAOYSA-N 0 0 326.418 3.257 10 5 EGBERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000189468556 153072438 /nfs/dbraw/zinc/07/24/38/153072438.db2.gz QEDBGWZVUIKTBO-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000189693596 153090292 /nfs/dbraw/zinc/09/02/92/153090292.db2.gz LALINUNIAKTVER-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000189938840 153107505 /nfs/dbraw/zinc/10/75/05/153107505.db2.gz ZNCOHDZLEDJKDK-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1 ZINC000191187565 153179087 /nfs/dbraw/zinc/17/90/87/153179087.db2.gz AJZHVJBXEPZINA-UHFFFAOYSA-N 0 0 326.352 3.167 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1 ZINC000191306266 153186997 /nfs/dbraw/zinc/18/69/97/153186997.db2.gz PHYJWKDDQVSQRT-UHFFFAOYSA-N 0 0 325.368 3.201 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000192910689 153265414 /nfs/dbraw/zinc/26/54/14/153265414.db2.gz JJOMMBQKKSGYLZ-ZDUSSCGKSA-N 0 0 327.340 3.057 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000193234823 153283931 /nfs/dbraw/zinc/28/39/31/153283931.db2.gz ZSLLGPZGQRZDCE-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000193392333 153289642 /nfs/dbraw/zinc/28/96/42/153289642.db2.gz QTXDEYGZKXLRSX-UHFFFAOYSA-N 0 0 330.363 3.397 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000193434571 153291105 /nfs/dbraw/zinc/29/11/05/153291105.db2.gz UJIFTIDFIXHKKG-UHFFFAOYSA-N 0 0 345.746 3.493 10 5 EGBERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219621 153388385 /nfs/dbraw/zinc/38/83/85/153388385.db2.gz JNIHDYYEYNPPJI-PXAZEXFGSA-N 0 0 345.399 3.401 10 5 EGBERN CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ncccc1C ZINC000341633320 155392849 /nfs/dbraw/zinc/39/28/49/155392849.db2.gz IGMDECIEHXUAAW-UHFFFAOYSA-N 0 0 331.397 3.443 10 5 EGBERN COC(C)(C)CCSCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336964792 154247783 /nfs/dbraw/zinc/24/77/83/154247783.db2.gz IISBEEUWHDXMAM-UHFFFAOYSA-N 0 0 326.418 3.472 10 5 EGBERN CNc1c(C(=O)NC2CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000337293467 154265812 /nfs/dbraw/zinc/26/58/12/154265812.db2.gz GUYVZJKYTZTVOK-UHFFFAOYSA-N 0 0 325.368 3.313 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3C(F)F)o2)cc1 ZINC000337395139 154331495 /nfs/dbraw/zinc/33/14/95/154331495.db2.gz ITAAAJODKGASMH-GFCCVEGCSA-N 0 0 338.314 3.264 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3C(F)F)n2)c1 ZINC000337425048 154346973 /nfs/dbraw/zinc/34/69/73/154346973.db2.gz WIWGKSKRKZJVQD-LBPRGKRZSA-N 0 0 338.314 3.264 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000339853092 155003101 /nfs/dbraw/zinc/00/31/01/155003101.db2.gz MZWTZLPBBHDODM-CQSZACIVSA-N 0 0 342.321 3.338 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000346861824 156168280 /nfs/dbraw/zinc/16/82/80/156168280.db2.gz GCLBLZKRWJDNGV-PSASIEDQSA-N 0 0 347.293 3.408 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOc1ccc(F)cc1 ZINC000348883325 156274264 /nfs/dbraw/zinc/27/42/64/156274264.db2.gz BXIXLJWGCFPZFO-GFCCVEGCSA-N 0 0 344.342 3.481 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCc2nccn2Cc2ccccc2)n1 ZINC000354536432 156567616 /nfs/dbraw/zinc/56/76/16/156567616.db2.gz MGZYHGCJFUHHBC-UHFFFAOYSA-N 0 0 338.367 3.430 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CC(F)(F)C[C@@H]3CO)o2)cc1 ZINC000372641368 157371263 /nfs/dbraw/zinc/37/12/63/157371263.db2.gz RBDAXXZDKOUEMA-CYBMUJFWSA-N 0 0 338.310 3.057 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)no1 ZINC000064329282 161563222 /nfs/dbraw/zinc/56/32/22/161563222.db2.gz CIWLZGAGLWRCCI-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN COc1ccc(-c2cnc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1 ZINC000065279283 161568806 /nfs/dbraw/zinc/56/88/06/161568806.db2.gz CWEOBNBYRNVJDH-UHFFFAOYSA-N 0 0 328.328 3.120 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000105984505 162060913 /nfs/dbraw/zinc/06/09/13/162060913.db2.gz VJJUPLJVDXHCGT-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000110300791 162123290 /nfs/dbraw/zinc/12/32/90/162123290.db2.gz UQHOEPHIONJYDH-UHFFFAOYSA-N 0 0 333.310 3.349 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114499975 162236060 /nfs/dbraw/zinc/23/60/60/162236060.db2.gz UTZHLJREVPAFEJ-MRXNPFEDSA-N 0 0 336.413 3.106 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000127162339 162323983 /nfs/dbraw/zinc/32/39/83/162323983.db2.gz VHTNECNXKKYGMR-MPNRVQBSSA-N 0 0 342.351 3.110 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129391747 162356011 /nfs/dbraw/zinc/35/60/11/162356011.db2.gz YVZMIUCFGFFRHT-UAGQMJEPSA-N 0 0 347.415 3.303 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000134945773 162506390 /nfs/dbraw/zinc/50/63/90/162506390.db2.gz QUPXCKAIWFTFCV-CQSZACIVSA-N 0 0 334.763 3.339 10 5 EGBERN CCCc1occc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000337037449 163111939 /nfs/dbraw/zinc/11/19/39/163111939.db2.gz HCOIGXPSMSIWBJ-UHFFFAOYSA-N 0 0 325.324 3.363 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCOc2cccc(F)c2C1 ZINC000338317311 163211559 /nfs/dbraw/zinc/21/15/59/163211559.db2.gz JYVCMFFZEHVUET-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CSC1(C)C ZINC000338478570 163240442 /nfs/dbraw/zinc/24/04/42/163240442.db2.gz ZYSWDXVENNNQDZ-LBPRGKRZSA-N 0 0 326.443 3.331 10 5 EGBERN CCOc1cc(N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000338838321 163360098 /nfs/dbraw/zinc/36/00/98/163360098.db2.gz CDBHEGUKDWEFQY-COXVUDFISA-N 0 0 346.387 3.021 10 5 EGBERN CCOc1cccc(N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)c1[N+](=O)[O-] ZINC000338839546 163360502 /nfs/dbraw/zinc/36/05/02/163360502.db2.gz HDHSINONLNDHPP-VNQPRFMTSA-N 0 0 346.387 3.021 10 5 EGBERN CCOC(=O)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000342649610 163932448 /nfs/dbraw/zinc/93/24/48/163932448.db2.gz CHDSKGALACOLJV-UHFFFAOYSA-N 0 0 326.780 3.166 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343797380 164036738 /nfs/dbraw/zinc/03/67/38/164036738.db2.gz AHLBAOBFPSWNOD-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN CNC(=O)c1ccc(NCCCNc2ccccc2F)c([N+](=O)[O-])c1 ZINC000343822192 164044362 /nfs/dbraw/zinc/04/43/62/164044362.db2.gz IXCDOKQRPKSACY-UHFFFAOYSA-N 0 0 346.362 3.008 10 5 EGBERN COc1cc(NC[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000343836381 164047488 /nfs/dbraw/zinc/04/74/88/164047488.db2.gz HEELTBASDKJXKP-CYBMUJFWSA-N 0 0 334.347 3.006 10 5 EGBERN COc1ccccc1O[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000343909001 164063425 /nfs/dbraw/zinc/06/34/25/164063425.db2.gz JPPJULQLQNXCLC-ZDUSSCGKSA-N 0 0 329.356 3.046 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000344146923 164114366 /nfs/dbraw/zinc/11/43/66/164114366.db2.gz FKQLSKHIVCJVBR-ZCFIWIBFSA-N 0 0 327.312 3.129 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344240102 164134312 /nfs/dbraw/zinc/13/43/12/164134312.db2.gz PEKLTRARPQSLOK-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN Cc1sc(C(=O)NCCN2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344436063 164178377 /nfs/dbraw/zinc/17/83/77/164178377.db2.gz FSUAXVKIJQYNKU-NSHDSACASA-N 0 0 345.424 3.146 10 5 EGBERN O=C(NC[C@H]1CCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000344602176 164198303 /nfs/dbraw/zinc/19/83/03/164198303.db2.gz IIEKXNYJUIHURG-MRVPVSSYSA-N 0 0 334.319 3.097 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC(C)(C)CC1 ZINC000345700544 164247393 /nfs/dbraw/zinc/24/73/93/164247393.db2.gz VRPXOQMMUMYYRK-UHFFFAOYSA-N 0 0 335.404 3.371 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cc(F)cc2cccnc21 ZINC000345930489 164297767 /nfs/dbraw/zinc/29/77/67/164297767.db2.gz IHGBFKJAYSLWRW-UHFFFAOYSA-N 0 0 333.706 3.146 10 5 EGBERN C[C@H](NC(=O)c1ccc2nsnc2c1)c1ccccc1[N+](=O)[O-] ZINC000346278356 164364443 /nfs/dbraw/zinc/36/44/43/164364443.db2.gz XCQZYCXRRCGNJD-VIFPVBQESA-N 0 0 328.353 3.091 10 5 EGBERN COc1ccc(CN2CC(F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000346341443 164371196 /nfs/dbraw/zinc/37/11/96/164371196.db2.gz XKWKLOXLKDWZHI-UHFFFAOYSA-N 0 0 346.358 3.336 10 5 EGBERN O=C(CCSc1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000349702673 164915879 /nfs/dbraw/zinc/91/58/79/164915879.db2.gz LPACJNLNRMBTIY-UHFFFAOYSA-N 0 0 343.408 3.057 10 5 EGBERN Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cc1Br ZINC000350285409 165025727 /nfs/dbraw/zinc/02/57/27/165025727.db2.gz GALVINQHYUCJOW-UHFFFAOYSA-N 0 0 325.166 3.451 10 5 EGBERN COc1cc(CNc2cccc(C[S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000352034789 165202410 /nfs/dbraw/zinc/20/24/10/165202410.db2.gz HPSYMSLEJRPHBL-QHCPKHFHSA-N 0 0 334.397 3.094 10 5 EGBERN CNc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000352216806 165289638 /nfs/dbraw/zinc/28/96/38/165289638.db2.gz LFLKXBPAZHYCMQ-WPRPVWTQSA-N 0 0 331.294 3.049 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610004 165827419 /nfs/dbraw/zinc/82/74/19/165827419.db2.gz VKPUIFDFRPNBSG-CVEARBPZSA-N 0 0 326.400 3.340 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nncs2)cc1 ZINC000355355225 166173059 /nfs/dbraw/zinc/17/30/59/166173059.db2.gz NOPSKSPMUXFXPV-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2F)C2CCCC2)n1 ZINC000355634114 166266779 /nfs/dbraw/zinc/26/67/79/166266779.db2.gz XFTAHBDMYGUAOI-UHFFFAOYSA-N 0 0 332.335 3.057 10 5 EGBERN COc1ccc(OCc2ccc(OC)c([N+](=O)[O-])c2)cc1C(C)=O ZINC000355681060 166282946 /nfs/dbraw/zinc/28/29/46/166282946.db2.gz IWXUVKXBARUNDE-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)s1 ZINC000355894917 166340827 /nfs/dbraw/zinc/34/08/27/166340827.db2.gz QYWXMLLIJFQYDH-UHFFFAOYSA-N 0 0 331.275 3.251 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000355931612 166351224 /nfs/dbraw/zinc/35/12/24/166351224.db2.gz BVVUVWROYZNFCH-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000357532831 166703697 /nfs/dbraw/zinc/70/36/97/166703697.db2.gz HWPFQBUTUSQRRD-RKDXNWHRSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(Nc1ccc2n[nH]cc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358906312 167000754 /nfs/dbraw/zinc/00/07/54/167000754.db2.gz PECMKWWTAXWVME-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN COc1ccc(OCc2cncn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000358969594 167022675 /nfs/dbraw/zinc/02/26/75/167022675.db2.gz SMFXSOCQWNOGQN-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN CCCN(CCc1ccccn1)c1nc2sccn2c1[N+](=O)[O-] ZINC000359019771 167040059 /nfs/dbraw/zinc/04/00/59/167040059.db2.gz PWWHRLCXRSEUDF-UHFFFAOYSA-N 0 0 331.401 3.158 10 5 EGBERN CCn1ncnc1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000359077785 167060430 /nfs/dbraw/zinc/06/04/30/167060430.db2.gz ZOVRAQIAYMCWGN-SFHVURJKSA-N 0 0 337.383 3.085 10 5 EGBERN CCn1ncnc1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000359077784 167060602 /nfs/dbraw/zinc/06/06/02/167060602.db2.gz ZOVRAQIAYMCWGN-GOSISDBHSA-N 0 0 337.383 3.085 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1 ZINC000359082165 167061512 /nfs/dbraw/zinc/06/15/12/167061512.db2.gz LAHHCIPGBIQVQA-JTQLQIEISA-N 0 0 328.328 3.070 10 5 EGBERN CCc1onc(C)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359425507 167153064 /nfs/dbraw/zinc/15/30/64/167153064.db2.gz UBBSQTUBTPHETN-UHFFFAOYSA-N 0 0 341.270 3.307 10 5 EGBERN CCC(=O)c1ccc(NCCc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000359451246 167160249 /nfs/dbraw/zinc/16/02/49/167160249.db2.gz XURLHPPQUKRWNP-UHFFFAOYSA-N 0 0 330.388 3.192 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000359547034 167187609 /nfs/dbraw/zinc/18/76/09/167187609.db2.gz RHOUFVAJPSPJMM-VIFPVBQESA-N 0 0 328.303 3.101 10 5 EGBERN Cc1cc(NCCCNC(=O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000359878022 167255445 /nfs/dbraw/zinc/25/54/45/167255445.db2.gz MZOFNFZAVZXILU-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](Cc2ccncc2)C1 ZINC000359894787 167260756 /nfs/dbraw/zinc/26/07/56/167260756.db2.gz FPEWMTIQACTBSD-OAHLLOKOSA-N 0 0 327.384 3.205 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000360683086 167387020 /nfs/dbraw/zinc/38/70/20/167387020.db2.gz XMNAXQOFLWJNBS-PIGZYNQJSA-N 0 0 347.371 3.464 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000360728994 167399894 /nfs/dbraw/zinc/39/98/94/167399894.db2.gz MINBVNNRVJFNRS-UHFFFAOYSA-N 0 0 327.365 3.267 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000360987234 167474348 /nfs/dbraw/zinc/47/43/48/167474348.db2.gz YMKLRYYVYUJVDW-RWSFTLGLSA-N 0 0 330.388 3.485 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000362247969 167711248 /nfs/dbraw/zinc/71/12/48/167711248.db2.gz AEVVISAHHMUWPS-DOTOQJQBSA-N 0 0 334.416 3.189 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000363022853 167877978 /nfs/dbraw/zinc/87/79/78/167877978.db2.gz RINXEHUIRABBNA-OAHLLOKOSA-N 0 0 343.358 3.285 10 5 EGBERN Cc1nn(C)c(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000365034855 168014309 /nfs/dbraw/zinc/01/43/09/168014309.db2.gz ACBMTUFQEQRSPN-CQSZACIVSA-N 0 0 344.419 3.438 10 5 EGBERN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000366235872 168096921 /nfs/dbraw/zinc/09/69/21/168096921.db2.gz JMGCOPFHQWUYDA-UHFFFAOYSA-N 0 0 342.336 3.071 10 5 EGBERN Cc1cc(NCc2noc(-c3cccc(F)c3)n2)ncc1[N+](=O)[O-] ZINC000366833315 168146622 /nfs/dbraw/zinc/14/66/22/168146622.db2.gz JSRXEEXNVOQPTO-UHFFFAOYSA-N 0 0 329.291 3.099 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367548696 168240362 /nfs/dbraw/zinc/24/03/62/168240362.db2.gz FCIRQFNPFFRWFV-XJKSGUPXSA-N 0 0 346.408 3.472 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cn2)CC1 ZINC000367740305 168265360 /nfs/dbraw/zinc/26/53/60/168265360.db2.gz KTBIZNSBGRFDKU-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367939685 168286016 /nfs/dbraw/zinc/28/60/16/168286016.db2.gz AFGFJADGFRUYQC-AEFFLSMTSA-N 0 0 340.379 3.174 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000368080023 168307903 /nfs/dbraw/zinc/30/79/03/168307903.db2.gz XXVHWQPGIVZBIX-APPDUMDISA-N 0 0 328.372 3.123 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cc(F)cc2cccnc21 ZINC000153644256 264797903 /nfs/dbraw/zinc/79/79/03/264797903.db2.gz RUOSMJAPBJRMKH-UHFFFAOYSA-N 0 0 333.706 3.146 10 5 EGBERN CC[C@H](NC(=O)NCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175916885 265144071 /nfs/dbraw/zinc/14/40/71/265144071.db2.gz XLIDCQGRBAMZJA-INIZCTEOSA-N 0 0 335.404 3.304 10 5 EGBERN CCc1nc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000176168769 265161869 /nfs/dbraw/zinc/16/18/69/265161869.db2.gz MNQIWBJTFYZXRQ-NSHDSACASA-N 0 0 348.428 3.483 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000176308567 265168016 /nfs/dbraw/zinc/16/80/16/265168016.db2.gz MJFGDTXFNLJKFL-JTQLQIEISA-N 0 0 343.221 3.308 10 5 EGBERN Cc1cnc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000177913145 265285388 /nfs/dbraw/zinc/28/53/88/265285388.db2.gz KTYSDXUTUCVYPU-VIFPVBQESA-N 0 0 330.369 3.332 10 5 EGBERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180520742 265404899 /nfs/dbraw/zinc/40/48/99/265404899.db2.gz VWNAPORPCYLVEH-VIFPVBQESA-N 0 0 334.763 3.059 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC3(CCCCC3)CC2)n1 ZINC000191721697 265927060 /nfs/dbraw/zinc/92/70/60/265927060.db2.gz UMUFYNCVKWBYNB-UHFFFAOYSA-N 0 0 334.420 3.388 10 5 EGBERN Cc1nc2cc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000193824683 266064996 /nfs/dbraw/zinc/06/49/96/266064996.db2.gz LEDYNFKMCNKRQO-UHFFFAOYSA-N 0 0 340.339 3.409 10 5 EGBERN O=[N+]([O-])c1nn(C[C@@H]2CCC3(CCCCC3)O2)cc1Br ZINC000228020600 266200551 /nfs/dbraw/zinc/20/05/51/266200551.db2.gz XRQLVBGWHQXKFZ-JTQLQIEISA-N 0 0 344.209 3.436 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(C[C@@H]3CCCO3)no2)cc(C(F)(F)F)c1 ZINC000269504753 266308015 /nfs/dbraw/zinc/30/80/15/266308015.db2.gz YLEYAASAHLNJEI-NSHDSACASA-N 0 0 343.261 3.385 10 5 EGBERN CC[C@H](NC(=O)NCC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000271577337 266690044 /nfs/dbraw/zinc/69/00/44/266690044.db2.gz QQYXIUDZQWWAOL-HNNXBMFYSA-N 0 0 337.420 3.144 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000273506963 267050305 /nfs/dbraw/zinc/05/03/05/267050305.db2.gz AZRUTPFPQJEOAW-DDXVTDLHSA-N 0 0 332.385 3.035 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)c1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000273768072 267102479 /nfs/dbraw/zinc/10/24/79/267102479.db2.gz XUALMHICCBTHGY-ZANVPECISA-N 0 0 349.416 3.266 10 5 EGBERN CCC[C@@](C)(NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000273907574 267139668 /nfs/dbraw/zinc/13/96/68/267139668.db2.gz AJTIBIDNDOBSKQ-OAHLLOKOSA-N 0 0 342.779 3.018 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000273957710 267150800 /nfs/dbraw/zinc/15/08/00/267150800.db2.gz FNGXULJEWRQROZ-OCCSQVGLSA-N 0 0 338.791 3.340 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000275761464 267420365 /nfs/dbraw/zinc/42/03/65/267420365.db2.gz FPGAITPXYCOXNZ-HONMWMINSA-N 0 0 338.791 3.100 10 5 EGBERN CC[C@]1(C)CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000276098776 267477486 /nfs/dbraw/zinc/47/74/86/267477486.db2.gz FFESMAVEBCEFAD-OAHLLOKOSA-N 0 0 326.780 3.198 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccccc3Cl)no2)n1 ZINC000277887146 267893046 /nfs/dbraw/zinc/89/30/46/267893046.db2.gz DTBQYNWIATUKTJ-UHFFFAOYSA-N 0 0 347.762 3.358 10 5 EGBERN C[C@H](CO)[C@H](C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278445232 268014544 /nfs/dbraw/zinc/01/45/44/268014544.db2.gz KVSCTVFOKHOWQD-RQJHMYQMSA-N 0 0 343.252 3.073 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000021092397 273491935 /nfs/dbraw/zinc/49/19/35/273491935.db2.gz HYQTUEQYCYTXOW-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000192623191 275224497 /nfs/dbraw/zinc/22/44/97/275224497.db2.gz GHCLEYVWURRVRW-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2cc[nH]c2c1 ZINC000194872304 275228671 /nfs/dbraw/zinc/22/86/71/275228671.db2.gz LAMSCWXRLHHQRP-UHFFFAOYSA-N 0 0 325.324 3.484 10 5 EGBERN CC(C)(C)OC(=O)Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000273890999 275246571 /nfs/dbraw/zinc/24/65/71/275246571.db2.gz BGFHAHDUFKKMHH-UHFFFAOYSA-N 0 0 339.735 3.182 10 5 EGBERN CC1(C)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCS1 ZINC000279242514 275315675 /nfs/dbraw/zinc/31/56/75/275315675.db2.gz GFDPJCJUQSYGDQ-UHFFFAOYSA-N 0 0 333.413 3.434 10 5 EGBERN COc1ccc(N(CCC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000279829600 275363753 /nfs/dbraw/zinc/36/37/53/275363753.db2.gz AYNBMGOPXZQLRN-UHFFFAOYSA-N 0 0 346.387 3.030 10 5 EGBERN COc1ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000279967224 275383823 /nfs/dbraw/zinc/38/38/23/275383823.db2.gz CVTANXZRYCIDQQ-UHFFFAOYSA-N 0 0 334.294 3.198 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1ncon1 ZINC000184096457 275399792 /nfs/dbraw/zinc/39/97/92/275399792.db2.gz HDUJLMFMDURJDD-HBIYDYFMSA-N 0 0 342.355 3.135 10 5 EGBERN COc1ccc(NC(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000280749943 275491169 /nfs/dbraw/zinc/49/11/69/275491169.db2.gz FVUPZDVSBOHXBW-UHFFFAOYSA-N 0 0 333.348 3.104 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284383430 275796278 /nfs/dbraw/zinc/79/62/78/275796278.db2.gz MCZWZUXMOFYIRA-OAHLLOKOSA-N 0 0 346.362 3.022 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCOCC2)CC1 ZINC000284436057 275800619 /nfs/dbraw/zinc/80/06/19/275800619.db2.gz JMWASHWYGIIFOO-CCEZHUSRSA-N 0 0 344.411 3.417 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000408391086 276040727 /nfs/dbraw/zinc/04/07/27/276040727.db2.gz ATANQWDMEDFCJM-QGZVFWFLSA-N 0 0 332.404 3.404 10 5 EGBERN Cc1occc1C(=O)NC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287934607 276170423 /nfs/dbraw/zinc/17/04/23/276170423.db2.gz PPRQJQJHBTXFEI-UHFFFAOYSA-N 0 0 347.346 3.034 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000288055944 276178780 /nfs/dbraw/zinc/17/87/80/276178780.db2.gz ATVPGLMDFWABRI-GFCCVEGCSA-N 0 0 340.387 3.478 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351609687 276531001 /nfs/dbraw/zinc/53/10/01/276531001.db2.gz MFYBLOCOOMCHPC-CYBMUJFWSA-N 0 0 349.366 3.357 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C3CC3)cc2F)n1 ZINC000291949219 276711864 /nfs/dbraw/zinc/71/18/64/276711864.db2.gz UHXWLENKAJZYHR-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000292431809 276795168 /nfs/dbraw/zinc/79/51/68/276795168.db2.gz MCSOMFVYOZTGFC-QGZVFWFLSA-N 0 0 344.415 3.238 10 5 EGBERN COC(=O)c1cc(N2CCCC3(CCOCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268470598 277152084 /nfs/dbraw/zinc/15/20/84/277152084.db2.gz HXULOJLQJKCEIF-UHFFFAOYSA-N 0 0 348.399 3.087 10 5 EGBERN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339076886 277314376 /nfs/dbraw/zinc/31/43/76/277314376.db2.gz GSWUTABUUMWRAZ-UHFFFAOYSA-N 0 0 330.384 3.074 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189943446 277431146 /nfs/dbraw/zinc/43/11/46/277431146.db2.gz SQKHPFQQZNPDIV-HNNXBMFYSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 ZINC000008687841 279672253 /nfs/dbraw/zinc/67/22/53/279672253.db2.gz RNUZJGMTKLDMKJ-ZDUSSCGKSA-N 0 0 343.383 3.354 10 5 EGBERN Cc1ccc([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)c(C)c1 ZINC000369553261 280960701 /nfs/dbraw/zinc/96/07/01/280960701.db2.gz UJRWYHXNQIHKFV-CQSZACIVSA-N 0 0 337.383 3.248 10 5 EGBERN Cc1nc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000268476491 281943844 /nfs/dbraw/zinc/94/38/44/281943844.db2.gz KNQDIJDWUVLXMA-BZNIZROVSA-N 0 0 331.347 3.404 10 5 EGBERN Nc1c(C(=O)N2CCCC[C@H]2c2nccs2)cccc1[N+](=O)[O-] ZINC000176465834 295345034 /nfs/dbraw/zinc/34/50/34/295345034.db2.gz NMBSRYVIXQEETG-LBPRGKRZSA-N 0 0 332.385 3.001 10 5 EGBERN O=C1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 ZINC000000424058 304643618 /nfs/dbraw/zinc/64/36/18/304643618.db2.gz OHCMIBQMLXSORM-MRXNPFEDSA-N 0 0 344.348 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 ZINC000408456350 301202699 /nfs/dbraw/zinc/20/26/99/301202699.db2.gz HTUKGMJLUNPNBB-CABCVRRESA-N 0 0 331.416 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374162671 301430531 /nfs/dbraw/zinc/43/05/31/301430531.db2.gz NWECZEDZYYIKFB-QRVDHSFSSA-N 0 0 346.427 3.305 10 5 EGBERN Cc1ccc(S(=O)(=O)N(C)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000407972765 301660623 /nfs/dbraw/zinc/66/06/23/301660623.db2.gz NGNMBCQSLUKAGI-UHFFFAOYSA-N 0 0 326.418 3.247 10 5 EGBERN Cc1nn(C)c(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000413527339 309035982 /nfs/dbraw/zinc/03/59/82/309035982.db2.gz DZEVWOLUBHBADT-HNNXBMFYSA-N 0 0 326.400 3.411 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413572539 309037973 /nfs/dbraw/zinc/03/79/73/309037973.db2.gz KFSIWGOZLVNAEB-RISCZKNCSA-N 0 0 336.388 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000057818123 307347450 /nfs/dbraw/zinc/34/74/50/307347450.db2.gz CPFUIPGXFLSWHB-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058715944 307349818 /nfs/dbraw/zinc/34/98/18/307349818.db2.gz DLHLFVQDISNQMN-UHFFFAOYSA-N 0 0 344.392 3.285 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058904506 307350446 /nfs/dbraw/zinc/35/04/46/307350446.db2.gz ZRLFWZLBSWWQAR-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN Cc1ccc(OCc2noc(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000068044483 307368679 /nfs/dbraw/zinc/36/86/79/307368679.db2.gz JOWJCCGIKQZGFR-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN Cc1ccccc1[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079295598 307424724 /nfs/dbraw/zinc/42/47/24/307424724.db2.gz ZINDBGTYGCIKJV-AWEZNQCLSA-N 0 0 327.384 3.217 10 5 EGBERN Cc1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000080662425 307434643 /nfs/dbraw/zinc/43/46/43/307434643.db2.gz FOFUCRABZCGWGQ-CQSZACIVSA-N 0 0 328.368 3.409 10 5 EGBERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000087205178 307445698 /nfs/dbraw/zinc/44/56/98/307445698.db2.gz RNFFSYBKMLTLTB-UHFFFAOYSA-N 0 0 348.305 3.152 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCCc1cccc([N+](=O)[O-])c1 ZINC000089835655 307453765 /nfs/dbraw/zinc/45/37/65/307453765.db2.gz KXTCOEDLVYFKCS-HNNXBMFYSA-N 0 0 340.379 3.210 10 5 EGBERN CCN(Cc1occc1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000413984515 309055283 /nfs/dbraw/zinc/05/52/83/309055283.db2.gz UMTHXVQXKFNIAI-UHFFFAOYSA-N 0 0 338.310 3.366 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1cscn1 ZINC000128176999 307596053 /nfs/dbraw/zinc/59/60/53/307596053.db2.gz SBOVAUQALFCGFC-SNVBAGLBSA-N 0 0 349.437 3.262 10 5 EGBERN CC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000131246286 307640244 /nfs/dbraw/zinc/64/02/44/307640244.db2.gz TVGCQZZSGLYYNK-NSHDSACASA-N 0 0 335.385 3.088 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000147402128 307722033 /nfs/dbraw/zinc/72/20/33/307722033.db2.gz ZYSJVCKKCPVBLI-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000152184841 307747318 /nfs/dbraw/zinc/74/73/18/307747318.db2.gz DPRJRHWSHKJVGJ-CQSZACIVSA-N 0 0 342.399 3.160 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000163800970 307924612 /nfs/dbraw/zinc/92/46/12/307924612.db2.gz NHWLOBGLTIUPAH-AWEZNQCLSA-N 0 0 342.399 3.160 10 5 EGBERN Cc1[nH]c2ccccc2c1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171051900 307940330 /nfs/dbraw/zinc/94/03/30/307940330.db2.gz YQBYKQLPHFUEGO-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000292811848 308068516 /nfs/dbraw/zinc/06/85/16/308068516.db2.gz INWIUQYJZOMHOH-QPUJVOFHSA-N 0 0 347.198 3.399 10 5 EGBERN CC[C@@H](NC(=O)NCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000293541789 308140051 /nfs/dbraw/zinc/14/00/51/308140051.db2.gz UTLRTPGGVJZXCT-CYBMUJFWSA-N 0 0 327.331 3.390 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1[N+](=O)[O-] ZINC000293767750 308160175 /nfs/dbraw/zinc/16/01/75/308160175.db2.gz UXDYOYQCMJCZBY-MRVPVSSYSA-N 0 0 340.792 3.149 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000293873583 308169681 /nfs/dbraw/zinc/16/96/81/308169681.db2.gz JYFOWABDPGLEDJ-UHFFFAOYSA-N 0 0 329.312 3.130 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000293957314 308177634 /nfs/dbraw/zinc/17/76/34/308177634.db2.gz FZIAQQFRVFXLTI-KGLIPLIRSA-N 0 0 331.416 3.312 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294569521 308233426 /nfs/dbraw/zinc/23/34/26/308233426.db2.gz MUIUHYDMLSZZLS-IAGOWNOFSA-N 0 0 332.400 3.291 10 5 EGBERN COc1ccccc1CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294615846 308238147 /nfs/dbraw/zinc/23/81/47/308238147.db2.gz RCPGBMXARVLHDQ-UHFFFAOYSA-N 0 0 348.443 3.312 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294786447 308256825 /nfs/dbraw/zinc/25/68/25/308256825.db2.gz AOTRBPOKHBFEOM-RYUDHWBXSA-N 0 0 328.372 3.246 10 5 EGBERN Cc1cccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000295114125 308293163 /nfs/dbraw/zinc/29/31/63/308293163.db2.gz HYWVOEJOVOCDAW-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000295881749 308370732 /nfs/dbraw/zinc/37/07/32/308370732.db2.gz ZWJNPYKKTHUSAW-MLGOLLRUSA-N 0 0 347.346 3.470 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000296761091 308464391 /nfs/dbraw/zinc/46/43/91/308464391.db2.gz CQGZOZKPIIGSHV-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000414744711 309098515 /nfs/dbraw/zinc/09/85/15/309098515.db2.gz OTZALRPSFANNDU-MAUKXSAKSA-N 0 0 326.327 3.369 10 5 EGBERN O=[N+]([O-])c1cnc(NC2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000301272301 308694301 /nfs/dbraw/zinc/69/43/01/308694301.db2.gz KMHTVJKCSYLQIW-UHFFFAOYSA-N 0 0 333.779 3.119 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301292516 308695331 /nfs/dbraw/zinc/69/53/31/308695331.db2.gz OCCINXKAUOGVCX-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000301474276 308701719 /nfs/dbraw/zinc/70/17/19/308701719.db2.gz MTHKJQYRINRDCA-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN CCS[C@@H]1CC[C@]1(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301504219 308702970 /nfs/dbraw/zinc/70/29/70/308702970.db2.gz YXWHXEDSFVNDNV-ZBFHGGJFSA-N 0 0 333.413 3.202 10 5 EGBERN Cc1n[nH]c(C)c1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301646363 308708760 /nfs/dbraw/zinc/70/87/60/308708760.db2.gz DCRRUUJGFSOBCV-UHFFFAOYSA-N 0 0 325.166 3.309 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3C[C@H]3C3CCCCC3)cc2N1 ZINC000301675961 308710440 /nfs/dbraw/zinc/71/04/40/308710440.db2.gz HNSKAERXYLQGTO-RYUDHWBXSA-N 0 0 331.372 3.306 10 5 EGBERN COC(=O)c1cc(N2CCOC3(CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301694776 308711338 /nfs/dbraw/zinc/71/13/38/308711338.db2.gz PCZPSZKJWIBRTF-UHFFFAOYSA-N 0 0 348.399 3.229 10 5 EGBERN CC(C)(C)Oc1cc(N2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000301869224 308719297 /nfs/dbraw/zinc/71/92/97/308719297.db2.gz FCQGUDNZRGGMLA-CQSZACIVSA-N 0 0 348.321 3.276 10 5 EGBERN CC1(C)CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301931466 308722201 /nfs/dbraw/zinc/72/22/01/308722201.db2.gz LPNZJNCPEMGKFW-UHFFFAOYSA-N 0 0 332.447 3.441 10 5 EGBERN CCCCO[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C ZINC000302005080 308724822 /nfs/dbraw/zinc/72/48/22/308724822.db2.gz SHXHSKXIWIELHH-NWDGAFQWSA-N 0 0 333.392 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000302020026 308725393 /nfs/dbraw/zinc/72/53/93/308725393.db2.gz DUGIOFYUHIDPGW-AWEZNQCLSA-N 0 0 347.802 3.431 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000302042073 308726511 /nfs/dbraw/zinc/72/65/11/308726511.db2.gz NZQZIRBDGORXAD-HNNXBMFYSA-N 0 0 345.374 3.307 10 5 EGBERN Cn1c(CNc2cc(CO)ccc2[N+](=O)[O-])cc(Cl)c1Cl ZINC000302052439 308727096 /nfs/dbraw/zinc/72/70/96/308727096.db2.gz PGWMIJVMRKPQNA-UHFFFAOYSA-N 0 0 330.171 3.345 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302068176 308727816 /nfs/dbraw/zinc/72/78/16/308727816.db2.gz WWQIQBUDCALZRQ-SJCJKPOMSA-N 0 0 333.388 3.183 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302070207 308728001 /nfs/dbraw/zinc/72/80/01/308728001.db2.gz XYLHLIUVAHFRFX-DIFFPNOSSA-N 0 0 349.387 3.320 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCCn1ccnn1 ZINC000302113264 308729445 /nfs/dbraw/zinc/72/94/45/308729445.db2.gz BHXZOUZJUNZDMI-UHFFFAOYSA-N 0 0 349.700 3.361 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-n3cccn3)cc2)c1 ZINC000302181284 308732180 /nfs/dbraw/zinc/73/21/80/308732180.db2.gz NVGHUFRWZAWQMD-UHFFFAOYSA-N 0 0 339.307 3.359 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@@H](Cc4ccccc4)C3)nn21 ZINC000302465552 308737736 /nfs/dbraw/zinc/73/77/36/308737736.db2.gz BJZVFMPBKUGXLR-LSDHHAIUSA-N 0 0 337.383 3.461 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330837030 308799151 /nfs/dbraw/zinc/79/91/51/308799151.db2.gz XNPCXDAEILLYLU-AWEZNQCLSA-N 0 0 340.445 3.325 10 5 EGBERN CC(C)n1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nn1 ZINC000410440318 308917141 /nfs/dbraw/zinc/91/71/41/308917141.db2.gz GVJZHBQRGUYKAZ-UHFFFAOYSA-N 0 0 343.387 3.357 10 5 EGBERN CC(C)Oc1ccc(C(=O)Nc2c([N+](=O)[O-])cnn2C)c(Cl)c1 ZINC000410722663 308920430 /nfs/dbraw/zinc/92/04/30/308920430.db2.gz PRCVQYBRZWROLB-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN Cc1csc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000411974121 308960022 /nfs/dbraw/zinc/96/00/22/308960022.db2.gz SUMXBALVESSWQP-LEWSCRJBSA-N 0 0 331.397 3.341 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000412952050 309009631 /nfs/dbraw/zinc/00/96/31/309009631.db2.gz PLENIKXYQBSOKS-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000413206871 309021469 /nfs/dbraw/zinc/02/14/69/309021469.db2.gz QFJNFJUOTANBAO-GJZGRUSLSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCCC[C@H]3CCCC[C@@H]3O)c2c1 ZINC000413211443 309021740 /nfs/dbraw/zinc/02/17/40/309021740.db2.gz XCFCLVYHCANHGL-PBHICJAKSA-N 0 0 329.400 3.308 10 5 EGBERN COCC(C)(C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000420499815 309288465 /nfs/dbraw/zinc/28/84/65/309288465.db2.gz KDRBAZFKEXNOLY-UHFFFAOYSA-N 0 0 346.387 3.218 10 5 EGBERN CCN(CCOc1ccccc1C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000421662482 309333408 /nfs/dbraw/zinc/33/34/08/309333408.db2.gz LICJLQAYVBDMHA-UHFFFAOYSA-N 0 0 343.383 3.148 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421664749 309333537 /nfs/dbraw/zinc/33/35/37/309333537.db2.gz RJWSJLRCUHJCHY-MBNYWOFBSA-N 0 0 338.429 3.149 10 5 EGBERN Cc1sc(C(=O)N(C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000421693469 309334976 /nfs/dbraw/zinc/33/49/76/309334976.db2.gz MJAOPWYFTKITCX-UHFFFAOYSA-N 0 0 326.418 3.383 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000421780703 309339802 /nfs/dbraw/zinc/33/98/02/309339802.db2.gz VGRVQPOBSITFDZ-ZDUSSCGKSA-N 0 0 348.399 3.015 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000421783916 309339879 /nfs/dbraw/zinc/33/98/79/309339879.db2.gz GWEOVQSBUUXTBC-INIZCTEOSA-N 0 0 346.408 3.487 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000421922490 309346510 /nfs/dbraw/zinc/34/65/10/309346510.db2.gz UJUDQJKALZPYJF-NSHDSACASA-N 0 0 345.424 3.339 10 5 EGBERN C[C@H](c1ccccc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000425580816 309486755 /nfs/dbraw/zinc/48/67/55/309486755.db2.gz JTVBIZWVFPYSBF-CYBMUJFWSA-N 0 0 342.399 3.474 10 5 EGBERN Cc1cc(CNc2cc(Br)cc([N+](=O)[O-])c2C)ncn1 ZINC000427412474 309528643 /nfs/dbraw/zinc/52/86/43/309528643.db2.gz JDHLNCKHNRDACY-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN CCOC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000429550004 309584198 /nfs/dbraw/zinc/58/41/98/309584198.db2.gz QNLNQDRJIJEPRU-QMMMGPOBSA-N 0 0 335.282 3.160 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000430403172 309607344 /nfs/dbraw/zinc/60/73/44/309607344.db2.gz UJEMPBFENWKWAW-JBBXEZCESA-N 0 0 340.379 3.269 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430796206 309617909 /nfs/dbraw/zinc/61/79/09/309617909.db2.gz JUMRUYKLOHIJSJ-UHFFFAOYSA-N 0 0 342.351 3.432 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000434762727 309719683 /nfs/dbraw/zinc/71/96/83/309719683.db2.gz CKGJXMKQBQQISQ-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN Cc1ccc(NCc2ncn(Cc3cccc(F)c3)n2)c([N+](=O)[O-])c1 ZINC000436471387 309756283 /nfs/dbraw/zinc/75/62/83/309756283.db2.gz UZFWWWRXVDYXHT-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN CCCN(C(=O)Cn1ncc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000441444217 309872037 /nfs/dbraw/zinc/87/20/37/309872037.db2.gz STHQQTQRKBWDCM-UHFFFAOYSA-N 0 0 338.367 3.388 10 5 EGBERN CCc1nc(C(C)(C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)no1 ZINC000441707502 309875916 /nfs/dbraw/zinc/87/59/16/309875916.db2.gz YZQUOYQZXDIACB-UHFFFAOYSA-N 0 0 346.387 3.329 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444029708 309912227 /nfs/dbraw/zinc/91/22/27/309912227.db2.gz IHAILEMRRCCWIF-ZFWWWQNUSA-N 0 0 342.399 3.337 10 5 EGBERN Cc1scc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000444638303 309923814 /nfs/dbraw/zinc/92/38/14/309923814.db2.gz KKMDVWLUBKHTKZ-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000447070395 309973440 /nfs/dbraw/zinc/97/34/40/309973440.db2.gz ZOXKODAZNBTQLW-CQSZACIVSA-N 0 0 331.416 3.313 10 5 EGBERN COC(=O)c1cncnc1/C=C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000448123823 309998496 /nfs/dbraw/zinc/99/84/96/309998496.db2.gz UVVWUJFITPYARI-KWUPLBGHSA-N 0 0 325.324 3.288 10 5 EGBERN COC(=O)c1cncnc1/C=C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000448123824 309998529 /nfs/dbraw/zinc/99/85/29/309998529.db2.gz UVVWUJFITPYARI-ZYUHXDNHSA-N 0 0 325.324 3.288 10 5 EGBERN Cc1cnc(CCCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000450166694 310106682 /nfs/dbraw/zinc/10/66/82/310106682.db2.gz YJKMQXKNUGNAGA-UHFFFAOYSA-N 0 0 343.383 3.405 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1nnc(C2CC2)s1)C1CC1 ZINC000450605434 310132828 /nfs/dbraw/zinc/13/28/28/310132828.db2.gz ZNZJUHBYBQHVET-UHFFFAOYSA-N 0 0 330.413 3.488 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866431 310201041 /nfs/dbraw/zinc/20/10/41/310201041.db2.gz BJGGELKWBUVECE-STQMWFEESA-N 0 0 345.365 3.472 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872156 310201255 /nfs/dbraw/zinc/20/12/55/310201255.db2.gz MGONQYKATXLMHH-CHWSQXEVSA-N 0 0 345.365 3.472 10 5 EGBERN CC(C)[C@@H]1[C@@H](C(C)C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451913011 310203525 /nfs/dbraw/zinc/20/35/25/310203525.db2.gz VXDDVAOEDJDNPC-HZPDHXFCSA-N 0 0 340.445 3.037 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000452822903 310243743 /nfs/dbraw/zinc/24/37/43/310243743.db2.gz QWVZICKNHFQSNZ-WMLDXEAASA-N 0 0 348.443 3.440 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000452864970 310246420 /nfs/dbraw/zinc/24/64/20/310246420.db2.gz FAYOXVKGJAMFQV-IAQYHMDHSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000452868564 310246661 /nfs/dbraw/zinc/24/66/61/310246661.db2.gz GBMRHPZAXDPZPT-BLLLJJGKSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000452894181 310247644 /nfs/dbraw/zinc/24/76/44/310247644.db2.gz QACANJXOVJBIOV-XHDPSFHLSA-N 0 0 340.807 3.429 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C1 ZINC000453427061 310276613 /nfs/dbraw/zinc/27/66/13/310276613.db2.gz OWAOVZMZJHEZNM-QWHCGFSZSA-N 0 0 329.404 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000454128465 310293736 /nfs/dbraw/zinc/29/37/36/310293736.db2.gz BXLWYYPFLZCNGF-CQSZACIVSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454197673 310296524 /nfs/dbraw/zinc/29/65/24/310296524.db2.gz KPXSANNBGQGYKJ-CZUORRHYSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000454200304 310296831 /nfs/dbraw/zinc/29/68/31/310296831.db2.gz OAPWKKUPMNNEEM-XYPHTWIQSA-N 0 0 347.415 3.451 10 5 EGBERN COc1ccc(CNC(=O)NC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000454298941 310302155 /nfs/dbraw/zinc/30/21/55/310302155.db2.gz JCDCMNXCPVMRLX-UHFFFAOYSA-N 0 0 335.404 3.227 10 5 EGBERN Cc1c(CNC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000454862759 310333050 /nfs/dbraw/zinc/33/30/50/310333050.db2.gz YOQKCFPRXPCDMZ-UEABVUSTSA-N 0 0 341.411 3.257 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000455413196 310359506 /nfs/dbraw/zinc/35/95/06/310359506.db2.gz MAQCGIAJTISYEQ-CYBMUJFWSA-N 0 0 335.404 3.271 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456097215 310388390 /nfs/dbraw/zinc/38/83/90/310388390.db2.gz IUAZDWKJRBEPPH-BRWVUGGUSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456102324 310388617 /nfs/dbraw/zinc/38/86/17/310388617.db2.gz LFNKBLCSEBAEPF-IIAWOOMASA-N 0 0 332.400 3.059 10 5 EGBERN CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000456153245 310390883 /nfs/dbraw/zinc/39/08/83/310390883.db2.gz YPCSMCCJCDQNCE-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000457061383 310434952 /nfs/dbraw/zinc/43/49/52/310434952.db2.gz PJFZBIYNDRGCNY-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)n1 ZINC000457274220 310445528 /nfs/dbraw/zinc/44/55/28/310445528.db2.gz IHAZRHHHYBRULA-MRXNPFEDSA-N 0 0 340.383 3.086 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC(C(C)(C)C)C2)cc1SC ZINC000457347331 310449072 /nfs/dbraw/zinc/44/90/72/310449072.db2.gz WCQBKFDERKCSGL-UHFFFAOYSA-N 0 0 338.429 3.443 10 5 EGBERN CO[C@@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000458195416 310490856 /nfs/dbraw/zinc/49/08/56/310490856.db2.gz PRVNOFRAQYJBPE-QWHCGFSZSA-N 0 0 338.791 3.244 10 5 EGBERN CO[C@H](Cc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000459984879 310578594 /nfs/dbraw/zinc/57/85/94/310578594.db2.gz IUBHRDDIBUVPIP-FZKQIMNGSA-N 0 0 340.379 3.130 10 5 EGBERN CCN(CCC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460309423 310581851 /nfs/dbraw/zinc/58/18/51/310581851.db2.gz YGPDQXGLYVNWNL-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000462484729 310600360 /nfs/dbraw/zinc/60/03/60/310600360.db2.gz BAOBDIPRMCXDIW-GJZGRUSLSA-N 0 0 338.429 3.150 10 5 EGBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])c3ncccc23)oc1C ZINC000471874764 310751578 /nfs/dbraw/zinc/75/15/78/310751578.db2.gz VWJMBJLYYYFQGA-UHFFFAOYSA-N 0 0 342.307 3.410 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000471983780 310756285 /nfs/dbraw/zinc/75/62/85/310756285.db2.gz DBMLWCSKIDRACN-ZYHUDNBSSA-N 0 0 345.321 3.120 10 5 EGBERN Nc1nc(N2CCCCC[C@@H]2/C=C\c2cccs2)ncc1[N+](=O)[O-] ZINC000475727298 310816235 /nfs/dbraw/zinc/81/62/35/310816235.db2.gz DNLQTQVABLRCCV-QDZRJHCZSA-N 0 0 345.428 3.321 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC(c2ccccc2)C1 ZINC000476894051 310835952 /nfs/dbraw/zinc/83/59/52/310835952.db2.gz DYCDSPMZHVUMHA-UHFFFAOYSA-N 0 0 346.408 3.128 10 5 EGBERN Cc1c(CNC(=O)N(CC(F)F)CC2CCC2)cccc1[N+](=O)[O-] ZINC000480062967 310888955 /nfs/dbraw/zinc/88/89/55/310888955.db2.gz RWPANHAEVNXUBV-UHFFFAOYSA-N 0 0 341.358 3.480 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000485098626 310973289 /nfs/dbraw/zinc/97/32/89/310973289.db2.gz VWEIMDPNJOBDDT-LLVKDONJSA-N 0 0 342.351 3.377 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)N(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000486484570 310993651 /nfs/dbraw/zinc/99/36/51/310993651.db2.gz SYIABCQQNQCQET-DZGCQCFKSA-N 0 0 337.383 3.328 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N(C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000486929512 311002405 /nfs/dbraw/zinc/00/24/05/311002405.db2.gz DBLIKEGZNAWCOT-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN O=C1C[C@H](c2cccc(Nc3ccc4ncccc4c3[N+](=O)[O-])c2)CN1 ZINC000487140635 311012243 /nfs/dbraw/zinc/01/22/43/311012243.db2.gz FNWLTRBNWFZCMW-ZDUSSCGKSA-N 0 0 348.362 3.490 10 5 EGBERN CC(=O)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])nc1C ZINC000488111038 311051759 /nfs/dbraw/zinc/05/17/59/311051759.db2.gz XHMAQICHHAYPEH-UHFFFAOYSA-N 0 0 336.351 3.083 10 5 EGBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1OCCc2sccc21 ZINC000488749786 311078196 /nfs/dbraw/zinc/07/81/96/311078196.db2.gz SAVPNONZFKKIBJ-RFAUZJTJSA-N 0 0 344.396 3.069 10 5 EGBERN Cc1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)ccc1[N+](=O)[O-] ZINC000488996814 311088534 /nfs/dbraw/zinc/08/85/34/311088534.db2.gz ZZXIAYAPNDYOLX-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1 ZINC000489205541 311095627 /nfs/dbraw/zinc/09/56/27/311095627.db2.gz NBYYHLRLWRMJHC-SFYZADRCSA-N 0 0 337.405 3.087 10 5 EGBERN COc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000489733737 311117607 /nfs/dbraw/zinc/11/76/07/311117607.db2.gz HUJMOYGYPDRBCP-UHFFFAOYSA-N 0 0 336.373 3.005 10 5 EGBERN COc1ccc(Cn2ccnc2Sc2ncccc2[N+](=O)[O-])cc1 ZINC000490032736 311130383 /nfs/dbraw/zinc/13/03/83/311130383.db2.gz BWIVPCJFHCGOSY-UHFFFAOYSA-N 0 0 342.380 3.394 10 5 EGBERN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000492369903 311242909 /nfs/dbraw/zinc/24/29/09/311242909.db2.gz WTEVRPPOGDURJC-OBIHZWKSSA-N 0 0 341.323 3.394 10 5 EGBERN CC[C@H](C[C@H](C)CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000492936327 311309207 /nfs/dbraw/zinc/30/92/07/311309207.db2.gz IYPHQIIGQZZJLK-BJJXKVORSA-N 0 0 337.420 3.142 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000494693452 311504076 /nfs/dbraw/zinc/50/40/76/311504076.db2.gz XSUGRHSVYVLGTC-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000494798703 311513128 /nfs/dbraw/zinc/51/31/28/311513128.db2.gz FQVVJYYZEZERPD-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cn3nc(Br)sc3n2)c1 ZINC000037353191 453934751 /nfs/dbraw/zinc/93/47/51/453934751.db2.gz KYBBIXHQOHVMPU-UHFFFAOYSA-N 0 0 325.147 3.129 10 5 EGBERN C[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504300131 312003316 /nfs/dbraw/zinc/00/33/16/312003316.db2.gz UPJGVGWCCBUIJH-VXGBXAGGSA-N 0 0 344.342 3.479 10 5 EGBERN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000504738248 312010170 /nfs/dbraw/zinc/01/01/70/312010170.db2.gz VMJZXMNCEAWNKG-UHFFFAOYSA-N 0 0 340.379 3.373 10 5 EGBERN C[C@@H](c1ccc(F)cc1F)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505586819 312027228 /nfs/dbraw/zinc/02/72/28/312027228.db2.gz WHRDLHLUXOIPKB-LBPRGKRZSA-N 0 0 348.353 3.151 10 5 EGBERN C[C@H](c1ccc(F)cc1F)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505586818 312027394 /nfs/dbraw/zinc/02/73/94/312027394.db2.gz WHRDLHLUXOIPKB-GFCCVEGCSA-N 0 0 348.353 3.151 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCc4cc(F)c(F)cc43)cc2N1 ZINC000506856980 312055231 /nfs/dbraw/zinc/05/52/31/312055231.db2.gz NXICDWSQTDVWHN-UHFFFAOYSA-N 0 0 345.305 3.452 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000507467840 312073624 /nfs/dbraw/zinc/07/36/24/312073624.db2.gz MEHNDANLNCJVCX-RYUDHWBXSA-N 0 0 330.306 3.232 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)cc1F ZINC000507559237 312077528 /nfs/dbraw/zinc/07/75/28/312077528.db2.gz CLBYWEXIRCSXAA-NSHDSACASA-N 0 0 343.358 3.391 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](C)C2 ZINC000508195527 312090466 /nfs/dbraw/zinc/09/04/66/312090466.db2.gz UKRBJFVITVUOGZ-XHDPSFHLSA-N 0 0 342.399 3.413 10 5 EGBERN CCOC(=O)c1cc(N[C@@H](CO)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000509526688 312119988 /nfs/dbraw/zinc/11/99/88/312119988.db2.gz LNMQFDZJAYQAKM-CQSZACIVSA-N 0 0 336.388 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1cccc(Cl)c1 ZINC000510868173 312149616 /nfs/dbraw/zinc/14/96/16/312149616.db2.gz RBAANQXFWSUESM-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOCCc1ccccc1 ZINC000511818124 312169525 /nfs/dbraw/zinc/16/95/25/312169525.db2.gz SQQWREZXKBKESJ-UHFFFAOYSA-N 0 0 342.395 3.282 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512153699 312177125 /nfs/dbraw/zinc/17/71/25/312177125.db2.gz KCSAXJRZRZETBN-SNVBAGLBSA-N 0 0 332.809 3.201 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000512155227 312177299 /nfs/dbraw/zinc/17/72/99/312177299.db2.gz SDNRCNGVFZVRDW-JTQLQIEISA-N 0 0 332.809 3.201 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CC1 ZINC000513742046 312216847 /nfs/dbraw/zinc/21/68/47/312216847.db2.gz TTYRAXHCDJOKCL-NEPJUHHUSA-N 0 0 325.162 3.342 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000515721469 312295592 /nfs/dbraw/zinc/29/55/92/312295592.db2.gz SKOBXDDJWBRZTM-HNNXBMFYSA-N 0 0 335.363 3.363 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000516247956 312316985 /nfs/dbraw/zinc/31/69/85/312316985.db2.gz ORQICKVEJBNKOV-CVEARBPZSA-N 0 0 327.384 3.390 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000517144639 312365241 /nfs/dbraw/zinc/36/52/41/312365241.db2.gz MYIUSMIYCSKQDJ-VHSSKADRSA-N 0 0 340.379 3.456 10 5 EGBERN Cc1nn(Cc2ccc(C(=O)N3[C@H](C)C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000526932267 312803341 /nfs/dbraw/zinc/80/33/41/312803341.db2.gz JAYFAEULDKCKGQ-VXGBXAGGSA-N 0 0 342.399 3.079 10 5 EGBERN Cc1c(Br)cc(C(=O)N2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000527471732 312867149 /nfs/dbraw/zinc/86/71/49/312867149.db2.gz OHWCOQGTBFPDEO-OCAPTIKFSA-N 0 0 327.178 3.289 10 5 EGBERN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cn1 ZINC000531887720 313726016 /nfs/dbraw/zinc/72/60/16/313726016.db2.gz MNNNNHCNVIQGQP-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN O=C(Nc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531887840 313726724 /nfs/dbraw/zinc/72/67/24/313726724.db2.gz QEJHMQTXRBXCPX-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CCOc1ccc(OCC)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532142871 313760722 /nfs/dbraw/zinc/76/07/22/313760722.db2.gz FQPBYHQGEALSOV-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN Cc1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)n[nH]1 ZINC000532655980 313826192 /nfs/dbraw/zinc/82/61/92/313826192.db2.gz LWLJUNHJBFPDKY-UHFFFAOYSA-N 0 0 339.311 3.066 10 5 EGBERN C[C@@H](C(=O)NCC1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249296 314034131 /nfs/dbraw/zinc/03/41/31/314034131.db2.gz WLZWSBPNYFFDAF-AWEZNQCLSA-N 0 0 345.443 3.038 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccn(C3CCCC3)n1)C2 ZINC000536004265 314087139 /nfs/dbraw/zinc/08/71/39/314087139.db2.gz ZLZGWMXQOUKQQM-UHFFFAOYSA-N 0 0 326.400 3.465 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000536779351 314145348 /nfs/dbraw/zinc/14/53/48/314145348.db2.gz OUADJLIOKBEOGR-QAPCUYQASA-N 0 0 340.379 3.411 10 5 EGBERN CCOC(=O)Cc1csc(Sc2ncc([N+](=O)[O-])cc2C)n1 ZINC000537790088 314209808 /nfs/dbraw/zinc/20/98/08/314209808.db2.gz YPLNNTNHIBLUMA-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538682777 314263714 /nfs/dbraw/zinc/26/37/14/314263714.db2.gz VYGJDNBPWBMXOB-AWEZNQCLSA-N 0 0 339.395 3.377 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000539239820 314302174 /nfs/dbraw/zinc/30/21/74/314302174.db2.gz ZSVFODMZXFSYTI-ZBEGNZNMSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539339510 314307251 /nfs/dbraw/zinc/30/72/51/314307251.db2.gz CYCNMSYJBYEIMZ-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN COc1ccc(CNC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000540986611 314427940 /nfs/dbraw/zinc/42/79/40/314427940.db2.gz ADBKIVRWSYVBHS-ACJLOTCBSA-N 0 0 347.415 3.325 10 5 EGBERN COc1ccccc1CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541832687 314492133 /nfs/dbraw/zinc/49/21/33/314492133.db2.gz MQRKKHVDGJHYOG-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN CCOc1ccccc1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000542044123 314514663 /nfs/dbraw/zinc/51/46/63/314514663.db2.gz MLIORBVFCUCGNR-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN Cc1ccc([C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000544847030 314720844 /nfs/dbraw/zinc/72/08/44/314720844.db2.gz IRGNEPKLSZBRRG-OAHLLOKOSA-N 0 0 346.408 3.081 10 5 EGBERN CCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc1 ZINC000545576439 314770484 /nfs/dbraw/zinc/77/04/84/314770484.db2.gz XREIRCOYYKVPPJ-UHFFFAOYSA-N 0 0 328.328 3.439 10 5 EGBERN Cc1cccc(C)c1OC[C@H](O)COc1c(C)cccc1[N+](=O)[O-] ZINC000550976743 315139343 /nfs/dbraw/zinc/13/93/43/315139343.db2.gz GLIDMEIMSATJKV-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN CCC[C@@H](C)[C@H]1CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553147864 315247445 /nfs/dbraw/zinc/24/74/45/315247445.db2.gz WGVNTEJSIRVPFB-BXUZGUMPSA-N 0 0 335.404 3.490 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000554452338 315318990 /nfs/dbraw/zinc/31/89/90/315318990.db2.gz YODBJBYWCMRPNV-CQSZACIVSA-N 0 0 327.384 3.002 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC=C(c2cccnc2)C1 ZINC000554691030 315342675 /nfs/dbraw/zinc/34/26/75/315342675.db2.gz AKEJQKNJBNUFNE-UHFFFAOYSA-N 0 0 348.362 3.401 10 5 EGBERN CCc1sc(NC(=O)c2c[nH]nc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000554859552 315352583 /nfs/dbraw/zinc/35/25/83/315352583.db2.gz ADIVILWQPJSSGK-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN COC(=O)C1(CNc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000555135918 315368532 /nfs/dbraw/zinc/36/85/32/315368532.db2.gz QOTWRRQBVONPQX-UHFFFAOYSA-N 0 0 340.351 3.278 10 5 EGBERN CCC1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000555218168 315373590 /nfs/dbraw/zinc/37/35/90/315373590.db2.gz XBXYBVVBEGIBKZ-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN CC[C@@H](C)CN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218155 315373780 /nfs/dbraw/zinc/37/37/80/315373780.db2.gz VGAJHKREDRUXOU-GFCCVEGCSA-N 0 0 332.404 3.306 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000555894656 315408189 /nfs/dbraw/zinc/40/81/89/315408189.db2.gz REDFLWOILJGAIH-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccc(C)cc3)C2)n1 ZINC000561268709 315753170 /nfs/dbraw/zinc/75/31/70/315753170.db2.gz SXJYHNFLHLUXIA-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN CC(C)(C)c1nc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)n[nH]1 ZINC000564564231 316167664 /nfs/dbraw/zinc/16/76/64/316167664.db2.gz NAKDTPHTSKWESI-UHFFFAOYSA-N 0 0 333.417 3.435 10 5 EGBERN CCCC(C)(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564635108 316178798 /nfs/dbraw/zinc/17/87/98/316178798.db2.gz VBJKSTMFERXLDI-UHFFFAOYSA-N 0 0 332.404 3.497 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1cccs1)CC(F)(F)F ZINC000564766108 316199898 /nfs/dbraw/zinc/19/98/98/316199898.db2.gz JRNNVSPQNNUNQO-UHFFFAOYSA-N 0 0 345.302 3.256 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000565122444 316270692 /nfs/dbraw/zinc/27/06/92/316270692.db2.gz OBJWHIHCALXHHO-DIFFPNOSSA-N 0 0 346.358 3.148 10 5 EGBERN CC[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000565684277 316355923 /nfs/dbraw/zinc/35/59/23/316355923.db2.gz QAHRBBWSXANZMI-PWSUYJOCSA-N 0 0 346.305 3.301 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000567126581 316572546 /nfs/dbraw/zinc/57/25/46/316572546.db2.gz MAJBOYVQNOOODI-STQMWFEESA-N 0 0 329.404 3.356 10 5 EGBERN COc1ccc(Cl)cc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000568503324 316783723 /nfs/dbraw/zinc/78/37/23/316783723.db2.gz PGFSGSYDBMLKAC-UHFFFAOYSA-N 0 0 349.774 3.317 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571398831 317194368 /nfs/dbraw/zinc/19/43/68/317194368.db2.gz AMGBTYXUIKXUSG-RISCZKNCSA-N 0 0 335.404 3.102 10 5 EGBERN CC(C)CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C1CC1 ZINC000571568467 317217545 /nfs/dbraw/zinc/21/75/45/317217545.db2.gz MWULRNXMUBBJDG-UHFFFAOYSA-N 0 0 329.404 3.405 10 5 EGBERN CCOc1ccccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000571799573 317249554 /nfs/dbraw/zinc/24/95/54/317249554.db2.gz OEOYWOKLRURAHK-UHFFFAOYSA-N 0 0 328.368 3.082 10 5 EGBERN O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571834223 317254075 /nfs/dbraw/zinc/25/40/75/317254075.db2.gz FKIYFSNXVYIQNU-QWRGUYRKSA-N 0 0 328.290 3.463 10 5 EGBERN Cc1ncc([N+](=O)[O-])c(OCc2csc(N(C)C3CC3)n2)c1C ZINC000572016599 317280154 /nfs/dbraw/zinc/28/01/54/317280154.db2.gz IFUBNAXEIOVOTK-UHFFFAOYSA-N 0 0 334.401 3.241 10 5 EGBERN CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)onc1C(F)(F)F ZINC000573217461 317454190 /nfs/dbraw/zinc/45/41/90/317454190.db2.gz GRZKPTDJIGNFBH-UHFFFAOYSA-N 0 0 344.249 3.120 10 5 EGBERN Cc1cc(NCCC[NH+]2CCC(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574640027 317620887 /nfs/dbraw/zinc/62/08/87/317620887.db2.gz FZDIADXUUGOQBV-UHFFFAOYSA-N 0 0 335.404 3.135 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC/C=C/c1ccccc1 ZINC000171861245 323255688 /nfs/dbraw/zinc/25/56/88/323255688.db2.gz AFEFYJSTLOLDEM-VMPITWQZSA-N 0 0 327.340 3.438 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C(C)C)cc1SC ZINC000172440695 323282423 /nfs/dbraw/zinc/28/24/23/323282423.db2.gz MUSWDRRSGGTBDR-SNVBAGLBSA-N 0 0 326.418 3.347 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(CO)c(F)c1 ZINC000176216217 323327240 /nfs/dbraw/zinc/32/72/40/323327240.db2.gz URYWCVMRDRLHFL-UHFFFAOYSA-N 0 0 347.346 3.165 10 5 EGBERN Cc1csc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184030 323645908 /nfs/dbraw/zinc/64/59/08/323645908.db2.gz ZBLHPYWKNXROJK-WDEREUQCSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000350613516 324107513 /nfs/dbraw/zinc/10/75/13/324107513.db2.gz XGVVJQBAENNUFB-MWLCHTKSSA-N 0 0 328.328 3.266 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000350612288 324107787 /nfs/dbraw/zinc/10/77/87/324107787.db2.gz SJHOKNBFBXXPOV-ZWNOBZJWSA-N 0 0 335.385 3.410 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cncs3)no2)c1 ZINC000350906993 324136785 /nfs/dbraw/zinc/13/67/85/324136785.db2.gz QBXJEIVUTSFXPO-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3Cc4ccccc4S3)n2)n1C ZINC000350919928 324139050 /nfs/dbraw/zinc/13/90/50/324139050.db2.gz BNQXBVWNMFNZAH-LLVKDONJSA-N 0 0 343.368 3.076 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000575841889 324490972 /nfs/dbraw/zinc/49/09/72/324490972.db2.gz NONNRAUIRPRZDF-CHWSQXEVSA-N 0 0 344.802 3.216 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cc([C@@H]2CCCOC2)nn1C ZINC000577821772 324870971 /nfs/dbraw/zinc/87/09/71/324870971.db2.gz ZWUOZBSODCEVCI-CQSZACIVSA-N 0 0 330.388 3.143 10 5 EGBERN C[C@H](C(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579345702 325097442 /nfs/dbraw/zinc/09/74/42/325097442.db2.gz JCYOCVOLRDNYLI-XZOAIXRZSA-N 0 0 328.343 3.452 10 5 EGBERN COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000579662885 325140286 /nfs/dbraw/zinc/14/02/86/325140286.db2.gz HWJYUEJGQOJYGL-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCOCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000580047154 325194836 /nfs/dbraw/zinc/19/48/36/325194836.db2.gz HMNOTVCPKJKQET-CQSZACIVSA-N 0 0 338.429 3.242 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1F ZINC000580597755 325272114 /nfs/dbraw/zinc/27/21/14/325272114.db2.gz GDDHYKUAPLKZEU-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1cc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCO2)ccc1F ZINC000582473284 325444183 /nfs/dbraw/zinc/44/41/83/325444183.db2.gz MZLLAGQPIAIWIE-HNNXBMFYSA-N 0 0 335.310 3.154 10 5 EGBERN COc1ccccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582868631 325476090 /nfs/dbraw/zinc/47/60/90/325476090.db2.gz HAHOUFNPWBWURV-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000173070650 455228359 /nfs/dbraw/zinc/22/83/59/455228359.db2.gz OMHWCXIGBQSHBE-UHFFFAOYSA-N 0 0 334.397 3.197 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000173102316 455232361 /nfs/dbraw/zinc/23/23/61/455232361.db2.gz NPDFZNTVOFJNBJ-UHFFFAOYSA-N 0 0 346.339 3.073 10 5 EGBERN COCc1ccsc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000183189637 455247101 /nfs/dbraw/zinc/24/71/01/455247101.db2.gz KMDJWHCDCMWDLB-UHFFFAOYSA-N 0 0 332.381 3.396 10 5 EGBERN COc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)c(OC)c1 ZINC000000102943 452507666 /nfs/dbraw/zinc/50/76/66/452507666.db2.gz QPCFFVLOUPIHND-INIZCTEOSA-N 0 0 334.397 3.396 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000173438897 455283251 /nfs/dbraw/zinc/28/32/51/455283251.db2.gz DQGMAZQLNGCTBS-AWEZNQCLSA-N 0 0 344.371 3.387 10 5 EGBERN CCc1cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C ZINC000190189316 455286900 /nfs/dbraw/zinc/28/69/00/455286900.db2.gz YYLPMYHKFUZZLH-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN CCCNC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000003019644 452740619 /nfs/dbraw/zinc/74/06/19/452740619.db2.gz KTAJTHMMJXAECH-UHFFFAOYSA-N 0 0 345.311 3.435 10 5 EGBERN COc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000003285210 452757741 /nfs/dbraw/zinc/75/77/41/452757741.db2.gz MCENAYYLGNPSRF-LLVKDONJSA-N 0 0 345.355 3.051 10 5 EGBERN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000005173389 452842925 /nfs/dbraw/zinc/84/29/25/452842925.db2.gz STBCZQFPVBKLHW-UHFFFAOYSA-N 0 0 331.284 3.072 10 5 EGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCCC1 ZINC000006789322 452988305 /nfs/dbraw/zinc/98/83/05/452988305.db2.gz GOMNXIPDAUWYFT-UHFFFAOYSA-N 0 0 335.404 3.106 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000007074060 453030480 /nfs/dbraw/zinc/03/04/80/453030480.db2.gz JUNVSIJEWLEALY-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN C[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000007765912 453112172 /nfs/dbraw/zinc/11/21/72/453112172.db2.gz DCVWFVUSYOMIRB-SNVBAGLBSA-N 0 0 343.368 3.129 10 5 EGBERN CCN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000009134170 453244659 /nfs/dbraw/zinc/24/46/59/453244659.db2.gz ASHFUIOLNDOVAE-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600761509 460593662 /nfs/dbraw/zinc/59/36/62/460593662.db2.gz RDRXKXIJICWQAC-KSSFIOAISA-N 0 0 340.383 3.185 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600759392 460593693 /nfs/dbraw/zinc/59/36/93/460593693.db2.gz QECLEWJVBURPGQ-KSSFIOAISA-N 0 0 340.383 3.185 10 5 EGBERN CC[C@@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)[nH]1 ZINC000013474600 453465438 /nfs/dbraw/zinc/46/54/38/453465438.db2.gz BAHICYQJMLPTQF-SNVBAGLBSA-N 0 0 333.413 3.468 10 5 EGBERN O=C(CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCCC1 ZINC000628992298 460610707 /nfs/dbraw/zinc/61/07/07/460610707.db2.gz WWZAXKXSBHYQGB-UHFFFAOYSA-N 0 0 348.402 3.170 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000022052101 453686637 /nfs/dbraw/zinc/68/66/37/453686637.db2.gz STMQLGBOUPPKBC-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C)nc2)c1 ZINC000022420600 453692127 /nfs/dbraw/zinc/69/21/27/453692127.db2.gz IHFXSQKEPIMIBP-UHFFFAOYSA-N 0 0 332.385 3.030 10 5 EGBERN Cc1csc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184221961 455363907 /nfs/dbraw/zinc/36/39/07/455363907.db2.gz AGVMPMMBHROYFF-NWDGAFQWSA-N 0 0 348.428 3.346 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026049052 453791892 /nfs/dbraw/zinc/79/18/92/453791892.db2.gz WILSBBZCXPOMHJ-ZDUSSCGKSA-N 0 0 328.368 3.413 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000075109071 453861702 /nfs/dbraw/zinc/86/17/02/453861702.db2.gz KPMYPOFJAHFIDB-GFCCVEGCSA-N 0 0 334.401 3.044 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000053549707 453886699 /nfs/dbraw/zinc/88/66/99/453886699.db2.gz JNFMGDJAWQTYSC-LLVKDONJSA-N 0 0 329.356 3.136 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000053548657 453887136 /nfs/dbraw/zinc/88/71/36/453887136.db2.gz ZHBUCHCOXYAMNA-OAHLLOKOSA-N 0 0 325.368 3.444 10 5 EGBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cc1 ZINC000053722930 453894221 /nfs/dbraw/zinc/89/42/21/453894221.db2.gz QVWIHPHAJRUHEG-QGZVFWFLSA-N 0 0 341.367 3.188 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000033058067 453903016 /nfs/dbraw/zinc/90/30/16/453903016.db2.gz HIBAEVOCGVSXOY-LLVKDONJSA-N 0 0 345.424 3.146 10 5 EGBERN Cc1noc(C)c1CN1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411023 453929699 /nfs/dbraw/zinc/92/96/99/453929699.db2.gz XHNUTQIHEJXCPG-CQSZACIVSA-N 0 0 344.415 3.078 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cccc(N3CCCC3)c2)nc1NC1CC1 ZINC000040155543 453948248 /nfs/dbraw/zinc/94/82/48/453948248.db2.gz FZXJAPVNGYFTKI-UHFFFAOYSA-N 0 0 340.387 3.303 10 5 EGBERN Cc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000040160260 453949132 /nfs/dbraw/zinc/94/91/32/453949132.db2.gz IRGLKEDESBYMTK-UHFFFAOYSA-N 0 0 342.351 3.164 10 5 EGBERN CCOc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000067845350 453972143 /nfs/dbraw/zinc/97/21/43/453972143.db2.gz SMGZZRGLHLLNMG-UHFFFAOYSA-N 0 0 334.397 3.336 10 5 EGBERN Cc1cccc(-c2noc(COc3ccc(C=O)cc3[N+](=O)[O-])n2)c1 ZINC000041704567 453976058 /nfs/dbraw/zinc/97/60/58/453976058.db2.gz UEHWYXQMZRQOFO-UHFFFAOYSA-N 0 0 339.307 3.345 10 5 EGBERN CC(=O)Nc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000068025752 453990024 /nfs/dbraw/zinc/99/00/24/453990024.db2.gz YAGUIJAYRGJBMA-UHFFFAOYSA-N 0 0 333.369 3.484 10 5 EGBERN O=C(OCCO)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000084505964 453992930 /nfs/dbraw/zinc/99/29/30/453992930.db2.gz BCQFGFMNFXCNDQ-UHFFFAOYSA-N 0 0 337.328 3.034 10 5 EGBERN CCOC(=O)Cc1csc(Sc2ccc([N+](=O)[O-])cc2F)n1 ZINC000042096927 453993609 /nfs/dbraw/zinc/99/36/09/453993609.db2.gz RMUJHDOSBFNUMS-UHFFFAOYSA-N 0 0 342.373 3.447 10 5 EGBERN C[C@H](Sc1ccccn1)C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000084971403 454019092 /nfs/dbraw/zinc/01/90/92/454019092.db2.gz WUFIDYOHESCZKP-LBPRGKRZSA-N 0 0 331.397 3.129 10 5 EGBERN O=c1ccccn1Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000057140993 454105350 /nfs/dbraw/zinc/10/53/50/454105350.db2.gz DSYHTGGNXZTFCI-UHFFFAOYSA-N 0 0 335.363 3.417 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2CCc3c2cccc3F)c([N+](=O)[O-])c1 ZINC000057142259 454105737 /nfs/dbraw/zinc/10/57/37/454105737.db2.gz LTUNOJVGXCAXQI-AWEZNQCLSA-N 0 0 329.331 3.193 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000088795810 454121283 /nfs/dbraw/zinc/12/12/83/454121283.db2.gz LYWQPHWZRPJDOM-LLVKDONJSA-N 0 0 338.360 3.082 10 5 EGBERN COC(=O)c1ccc([C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267221 454131989 /nfs/dbraw/zinc/13/19/89/454131989.db2.gz RSMVJNOJEBADPN-LLVKDONJSA-N 0 0 330.340 3.094 10 5 EGBERN Cc1sc(C(=O)NCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000045137416 454141246 /nfs/dbraw/zinc/14/12/46/454141246.db2.gz HXDZXZAZSBZSTE-UHFFFAOYSA-N 0 0 340.788 3.427 10 5 EGBERN O=C(NCCc1ccc(F)cc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000069790956 454145394 /nfs/dbraw/zinc/14/53/94/454145394.db2.gz BYDYXIHRCMNJIY-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccccc2)CC1 ZINC000045285684 454149932 /nfs/dbraw/zinc/14/99/32/454149932.db2.gz MBTQYPXXNMFIID-UHFFFAOYSA-N 0 0 348.362 3.401 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000119247800 454180983 /nfs/dbraw/zinc/18/09/83/454180983.db2.gz UQIMDPOJLBCUPM-UHFFFAOYSA-N 0 0 348.790 3.104 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000094017166 454181845 /nfs/dbraw/zinc/18/18/45/454181845.db2.gz UEILUZKBNWVFCH-LSDHHAIUSA-N 0 0 332.400 3.304 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000095443651 454214094 /nfs/dbraw/zinc/21/40/94/454214094.db2.gz JRNZOXIYXVZMPJ-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN CC(=O)[C@H](C)CCCCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119782043 454219899 /nfs/dbraw/zinc/21/98/99/454219899.db2.gz ASOFNADBEJSHRP-CYBMUJFWSA-N 0 0 332.400 3.265 10 5 EGBERN O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952504 454245489 /nfs/dbraw/zinc/24/54/89/454245489.db2.gz SPYZLPXESJNBSH-CABCVRRESA-N 0 0 340.420 3.220 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(C)[nH]nc2C(C)C)cc1[N+](=O)[O-] ZINC000095978466 454246900 /nfs/dbraw/zinc/24/69/00/454246900.db2.gz ZFWNRJBCTITBKE-UHFFFAOYSA-N 0 0 346.387 3.031 10 5 EGBERN CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000089983669 454253418 /nfs/dbraw/zinc/25/34/18/454253418.db2.gz ZVVHFCRMYAKJSM-CQSZACIVSA-N 0 0 348.399 3.099 10 5 EGBERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095992502 454255249 /nfs/dbraw/zinc/25/52/49/454255249.db2.gz GVTSVPWABSZKPP-SECBINFHSA-N 0 0 337.767 3.207 10 5 EGBERN O=C1CCCN1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090065202 454270638 /nfs/dbraw/zinc/27/06/38/454270638.db2.gz JEQDWQMVVMGHGA-UHFFFAOYSA-N 0 0 340.383 3.081 10 5 EGBERN CC[S@](=O)CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072284370 454283149 /nfs/dbraw/zinc/28/31/49/454283149.db2.gz BZLVIUKNDAIINW-XMMPIXPASA-N 0 0 346.408 3.006 10 5 EGBERN CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])c3cnccc23)no1 ZINC000072310617 454293328 /nfs/dbraw/zinc/29/33/28/454293328.db2.gz YRMMCSUMCWOPAJ-UHFFFAOYSA-N 0 0 327.344 3.436 10 5 EGBERN CCOc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224825 454295013 /nfs/dbraw/zinc/29/50/13/454295013.db2.gz HQVWYSFARPUDPD-BXUZGUMPSA-N 0 0 345.403 3.079 10 5 EGBERN Cc1cnc(N[C@H](Cc2nccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078670795 454295907 /nfs/dbraw/zinc/29/59/07/454295907.db2.gz ZTXSYZVMKJEWTD-OAHLLOKOSA-N 0 0 337.383 3.428 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cn1 ZINC000072530224 454304771 /nfs/dbraw/zinc/30/47/71/454304771.db2.gz JZSXPRFHLFHBHY-UHFFFAOYSA-N 0 0 326.139 3.478 10 5 EGBERN CC[C@H](NC(=O)C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000090466951 454308842 /nfs/dbraw/zinc/30/88/42/454308842.db2.gz UIDBKSGRAIZAJG-KGLIPLIRSA-N 0 0 340.470 3.401 10 5 EGBERN O=C(c1ccc(O)cc1)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000078820217 454325054 /nfs/dbraw/zinc/32/50/54/454325054.db2.gz CGMFZUNXNFWQKI-UHFFFAOYSA-N 0 0 346.408 3.457 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1nccn1Cc1ccccc1 ZINC000072920379 454363265 /nfs/dbraw/zinc/36/32/65/454363265.db2.gz XMBAJOGUGFJXQX-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000073148414 454401424 /nfs/dbraw/zinc/40/14/24/454401424.db2.gz NRNRUASFCTVCJM-INIZCTEOSA-N 0 0 332.331 3.160 10 5 EGBERN COc1cc(C)c(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000047721567 454402931 /nfs/dbraw/zinc/40/29/31/454402931.db2.gz HPNVHLHQXYWAMI-UHFFFAOYSA-N 0 0 345.355 3.242 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612488125 460639974 /nfs/dbraw/zinc/63/99/74/460639974.db2.gz YVHOZVBBBSCYFB-GXSJLCMTSA-N 0 0 346.305 3.068 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000091989104 454501734 /nfs/dbraw/zinc/50/17/34/454501734.db2.gz OMVXHXJBQLHIKE-SFHVURJKSA-N 0 0 336.432 3.437 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CCCOC2)C1 ZINC000079986286 454510247 /nfs/dbraw/zinc/51/02/47/454510247.db2.gz XSKPUMSLXYHBKV-MRXNPFEDSA-N 0 0 338.791 3.281 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000065302364 454550946 /nfs/dbraw/zinc/55/09/46/454550946.db2.gz DORIAWRUIAYHDJ-KBPBESRZSA-N 0 0 345.330 3.420 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1noc2ccccc21 ZINC000103376851 454551114 /nfs/dbraw/zinc/55/11/14/454551114.db2.gz PZAXNHIUPNGPBP-NSHDSACASA-N 0 0 337.335 3.256 10 5 EGBERN CC(C)c1noc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000103375947 454551668 /nfs/dbraw/zinc/55/16/68/454551668.db2.gz PNPVLMNMEROZFY-NSHDSACASA-N 0 0 344.371 3.012 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCCc2nccs2)c([N+](=O)[O-])c1 ZINC000074277332 454554155 /nfs/dbraw/zinc/55/41/55/454554155.db2.gz XKHSMQFVEBZXBE-FNORWQNLSA-N 0 0 347.396 3.282 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134531624 454555989 /nfs/dbraw/zinc/55/59/89/454555989.db2.gz BGRKAZQDDWYOMR-YVEFUNNKSA-N 0 0 345.399 3.137 10 5 EGBERN COc1cccc(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000103921217 454569877 /nfs/dbraw/zinc/56/98/77/454569877.db2.gz XNNBXUATAZDLAX-UHFFFAOYSA-N 0 0 337.335 3.350 10 5 EGBERN C[C@H]1COC2(CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)O1 ZINC000080645676 454611541 /nfs/dbraw/zinc/61/15/41/454611541.db2.gz ZMGSVRHRWGMVDD-JTQLQIEISA-N 0 0 346.305 3.345 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000052218641 454662948 /nfs/dbraw/zinc/66/29/48/454662948.db2.gz AFFOVJDURSPBIH-ZIAGYGMSSA-N 0 0 342.399 3.216 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc[nH]1 ZINC000080979041 454664585 /nfs/dbraw/zinc/66/45/85/454664585.db2.gz KAQSZBVHXAATKC-JTQLQIEISA-N 0 0 337.763 3.002 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCCC[C@H]1O ZINC000135808238 454703804 /nfs/dbraw/zinc/70/38/04/454703804.db2.gz GRCCUQCKIMMJFF-DGCLKSJQSA-N 0 0 329.194 3.463 10 5 EGBERN COc1ccnc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000161787287 454723210 /nfs/dbraw/zinc/72/32/10/454723210.db2.gz ZRYTWQUJRFUVPH-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN Nc1c(C(=O)NCc2cccc(-c3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000152976055 454749574 /nfs/dbraw/zinc/74/95/74/454749574.db2.gz ODHDCPRDHLEPGI-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN COc1cccc(OCCN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153006758 454752100 /nfs/dbraw/zinc/75/21/00/454752100.db2.gz XGAOJNUISHUZPM-UHFFFAOYSA-N 0 0 328.368 3.041 10 5 EGBERN CCCC(O)(CCC)CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153039308 454754891 /nfs/dbraw/zinc/75/48/91/454754891.db2.gz JYQMKDKNFZGVAV-UHFFFAOYSA-N 0 0 338.404 3.055 10 5 EGBERN CCc1cccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051360 454755924 /nfs/dbraw/zinc/75/59/24/454755924.db2.gz SXQGIHQOSNNDLA-UHFFFAOYSA-N 0 0 339.395 3.154 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000162558880 454784250 /nfs/dbraw/zinc/78/42/50/454784250.db2.gz GFUVSEJSSNQEFE-INIZCTEOSA-N 0 0 329.356 3.412 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000153440489 454793763 /nfs/dbraw/zinc/79/37/63/454793763.db2.gz WPQJIHJZGVNRCX-AWEZNQCLSA-N 0 0 329.331 3.124 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000125102653 454797131 /nfs/dbraw/zinc/79/71/31/454797131.db2.gz FMQNRFIZIKRWFX-NQBHXWOUSA-N 0 0 326.418 3.235 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000139432890 454806611 /nfs/dbraw/zinc/80/66/11/454806611.db2.gz YMOXJHQXOIDIKZ-UHFFFAOYSA-N 0 0 334.397 3.279 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)c1ccccc1Cl ZINC000153823160 454837080 /nfs/dbraw/zinc/83/70/80/454837080.db2.gz IQGAWJHSQYMLCA-LBPRGKRZSA-N 0 0 328.155 3.442 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)c1cccc([N+](=O)[O-])c1 ZINC000177811821 454909347 /nfs/dbraw/zinc/90/93/47/454909347.db2.gz QJIRWKUVIAZYNH-OAHLLOKOSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1ccc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000154687321 454919773 /nfs/dbraw/zinc/91/97/73/454919773.db2.gz GLSJDLOQTCROLR-XJKSGUPXSA-N 0 0 335.404 3.356 10 5 EGBERN NC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000177970645 454924068 /nfs/dbraw/zinc/92/40/68/454924068.db2.gz DCARSWMBXJVGTJ-UHFFFAOYSA-N 0 0 342.358 3.134 10 5 EGBERN C[C@H](Nc1cccc(NC(=O)CO)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000170593945 454937136 /nfs/dbraw/zinc/93/71/36/454937136.db2.gz UZXBQXSEXBEPPG-JTQLQIEISA-N 0 0 349.774 3.352 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1c1cn[nH]c1 ZINC000113892075 454937520 /nfs/dbraw/zinc/93/75/20/454937520.db2.gz OQZBHQHDSJLLMQ-ZDUSSCGKSA-N 0 0 334.763 3.339 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000170622611 454944186 /nfs/dbraw/zinc/94/41/86/454944186.db2.gz VCHZJEQXNBMIHB-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c(C)c(C)c1C ZINC000127269658 454949821 /nfs/dbraw/zinc/94/98/21/454949821.db2.gz SXWBEVZMAVVDRR-UHFFFAOYSA-N 0 0 328.368 3.182 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCCCC3)n1 ZINC000191571150 455499267 /nfs/dbraw/zinc/49/92/67/455499267.db2.gz AXUKPKXIZGBMEC-UHFFFAOYSA-N 0 0 349.416 3.179 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000115103576 454997380 /nfs/dbraw/zinc/99/73/80/454997380.db2.gz AYDNSTGCANYXIJ-ZDUSSCGKSA-N 0 0 345.424 3.364 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000115237231 455006677 /nfs/dbraw/zinc/00/66/77/455006677.db2.gz RUMJCDWPZCOSGH-MRXNPFEDSA-N 0 0 343.408 3.229 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000115589465 455022069 /nfs/dbraw/zinc/02/20/69/455022069.db2.gz WKPLSGRFROKSDU-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN CSc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000171167843 455040153 /nfs/dbraw/zinc/04/01/53/455040153.db2.gz WAHOATQUDVZXGT-UHFFFAOYSA-N 0 0 345.424 3.359 10 5 EGBERN C[C@H](C[C@@H]1CCOC1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612553569 460658834 /nfs/dbraw/zinc/65/88/34/460658834.db2.gz DMYLHBQAHZYLEK-ZJUUUORDSA-N 0 0 346.305 3.159 10 5 EGBERN COc1ccc(OCc2csc(N(C)C3CC3)n2)c([N+](=O)[O-])c1 ZINC000155888409 455058027 /nfs/dbraw/zinc/05/80/27/455058027.db2.gz QUEHWAFNBOITHM-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000152014791 455061612 /nfs/dbraw/zinc/06/16/12/455061612.db2.gz YRJONGCAPYDTFU-UHFFFAOYSA-N 0 0 334.397 3.178 10 5 EGBERN COC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171467156 455072293 /nfs/dbraw/zinc/07/22/93/455072293.db2.gz CXWYFKXAVDTPJB-OAHLLOKOSA-N 0 0 348.402 3.413 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000179747314 455073342 /nfs/dbraw/zinc/07/33/42/455073342.db2.gz MDHBWAFVZFIVLX-QGZVFWFLSA-N 0 0 325.368 3.414 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000152241402 455091458 /nfs/dbraw/zinc/09/14/58/455091458.db2.gz DBXXDXGYGMKKJJ-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1sc(C(=O)NCc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000156404612 455114383 /nfs/dbraw/zinc/11/43/83/455114383.db2.gz NQNVUJNUCBLVAT-UHFFFAOYSA-N 0 0 334.401 3.206 10 5 EGBERN Cc1cccc(C(=O)NCc2ccn(C3CCCC3)n2)c1[N+](=O)[O-] ZINC000156745153 455147996 /nfs/dbraw/zinc/14/79/96/455147996.db2.gz DWSRPLWAEVGCQJ-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN C[C@@H](NC(=O)NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180573703 455199679 /nfs/dbraw/zinc/19/96/79/455199679.db2.gz YLCGTXNIYSUPDG-SNVBAGLBSA-N 0 0 334.763 3.204 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000173551590 455304758 /nfs/dbraw/zinc/30/47/58/455304758.db2.gz IUAHNHLTORUSDJ-UHFFFAOYSA-N 0 0 338.429 3.081 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000183620686 455313316 /nfs/dbraw/zinc/31/33/16/455313316.db2.gz HKXZXFIDAMYFDZ-OAHLLOKOSA-N 0 0 339.395 3.336 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000173598366 455314244 /nfs/dbraw/zinc/31/42/44/455314244.db2.gz CHCKTJBQFQHLAJ-AWEZNQCLSA-N 0 0 344.371 3.387 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000181298489 455315110 /nfs/dbraw/zinc/31/51/10/455315110.db2.gz QPILIXBJTNZVQB-AWEZNQCLSA-N 0 0 329.331 3.124 10 5 EGBERN Cn1c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C1CCC1 ZINC000181435997 455334268 /nfs/dbraw/zinc/33/42/68/455334268.db2.gz ZNRHXQVLOLYPIU-UHFFFAOYSA-N 0 0 341.415 3.155 10 5 EGBERN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190708871 455370913 /nfs/dbraw/zinc/37/09/13/455370913.db2.gz PYANXXBACBVTRF-LLVKDONJSA-N 0 0 345.321 3.228 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000182151675 455447762 /nfs/dbraw/zinc/44/77/62/455447762.db2.gz HNIFBGUURNYUSG-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CSC[C@H](O)C(F)(F)F)co2)cc1 ZINC000191148911 455452619 /nfs/dbraw/zinc/45/26/19/455452619.db2.gz YXNHDOGFVGMZMP-NSHDSACASA-N 0 0 348.302 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(C)(C)CC)cc2)n1 ZINC000191683955 455509075 /nfs/dbraw/zinc/50/90/75/455509075.db2.gz RDYUKVYDKLZOLW-UHFFFAOYSA-N 0 0 344.415 3.429 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000191697717 455511239 /nfs/dbraw/zinc/51/12/39/455511239.db2.gz JAOKYGNFFQGTSY-DGCLKSJQSA-N 0 0 347.396 3.016 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)n1 ZINC000191710621 455512292 /nfs/dbraw/zinc/51/22/92/455512292.db2.gz AWHQADOOOBHFIJ-WBMJQRKESA-N 0 0 342.399 3.255 10 5 EGBERN Cc1ccccc1-c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)no1 ZINC000185177486 455517145 /nfs/dbraw/zinc/51/71/45/455517145.db2.gz SIAJADGDCCYPCJ-UHFFFAOYSA-N 0 0 325.328 3.075 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000191869301 455526950 /nfs/dbraw/zinc/52/69/50/455526950.db2.gz RUJBGZFBNGACDN-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)cc1OC(F)F ZINC000267278744 455529816 /nfs/dbraw/zinc/52/98/16/455529816.db2.gz OJZYNJAUYSDIAF-LBPRGKRZSA-N 0 0 338.310 3.384 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000185442661 455559563 /nfs/dbraw/zinc/55/95/63/455559563.db2.gz UQSMKTUJTXDKFP-VOMSXAGXSA-N 0 0 330.384 3.026 10 5 EGBERN COc1cc(NC[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000268192726 455614802 /nfs/dbraw/zinc/61/48/02/455614802.db2.gz MYKLXRVUOKGHOY-ZDUSSCGKSA-N 0 0 334.347 3.321 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCc1ccccc1 ZINC000185782701 455620541 /nfs/dbraw/zinc/62/05/41/455620541.db2.gz GUXGQURYWQCGMH-UHFFFAOYSA-N 0 0 341.392 3.177 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000292296506 455621664 /nfs/dbraw/zinc/62/16/64/455621664.db2.gz MQQMRTLMPPFPGA-INIZCTEOSA-N 0 0 341.358 3.193 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192518884 455635468 /nfs/dbraw/zinc/63/54/68/455635468.db2.gz UOPZQSQWXPGKGK-LLVKDONJSA-N 0 0 336.392 3.074 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2ccnc2)cc1OC(F)F ZINC000271436011 455635553 /nfs/dbraw/zinc/63/55/53/455635553.db2.gz WWNQQMYDALLZNI-LBPRGKRZSA-N 0 0 338.314 3.062 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268400188 455672408 /nfs/dbraw/zinc/67/24/08/455672408.db2.gz PPMCKDLGGCPVRM-OAHLLOKOSA-N 0 0 332.381 3.437 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000268417389 455677231 /nfs/dbraw/zinc/67/72/31/455677231.db2.gz KNVHMFRRWAJXDJ-CXAGYDPISA-N 0 0 328.368 3.145 10 5 EGBERN CCOc1cccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000186142702 455702893 /nfs/dbraw/zinc/70/28/93/455702893.db2.gz ZDTQXDVGVBNZEY-KBPBESRZSA-N 0 0 348.424 3.267 10 5 EGBERN O=C(c1ccccc1)c1ccc(NCC2(CCO)CC2)c([N+](=O)[O-])c1 ZINC000186162227 455707318 /nfs/dbraw/zinc/70/73/18/455707318.db2.gz CDHZVEVHFPCQJN-UHFFFAOYSA-N 0 0 340.379 3.400 10 5 EGBERN CC(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@H](C)C1 ZINC000268844713 455715951 /nfs/dbraw/zinc/71/59/51/455715951.db2.gz YMMSSUHVKBYYCU-CQSZACIVSA-N 0 0 347.418 3.081 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCNc1ccccn1 ZINC000278084461 455753793 /nfs/dbraw/zinc/75/37/93/455753793.db2.gz XLGMKYLFADOZPC-UHFFFAOYSA-N 0 0 348.790 3.184 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccccc1C ZINC000193402740 455757834 /nfs/dbraw/zinc/75/78/34/455757834.db2.gz XYUGORIFZSCYQG-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000193493751 455762023 /nfs/dbraw/zinc/76/20/23/455762023.db2.gz NVBZADBYSRFZDR-BBRMVZONSA-N 0 0 335.310 3.397 10 5 EGBERN CC(C)(C)c1nnc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000278160853 455774098 /nfs/dbraw/zinc/77/40/98/455774098.db2.gz AJOFIRHUEUGXAS-UHFFFAOYSA-N 0 0 332.389 3.232 10 5 EGBERN COc1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000269076210 455783643 /nfs/dbraw/zinc/78/36/43/455783643.db2.gz BWEKUVPPJAYTKC-BONVTDFDSA-N 0 0 342.392 3.209 10 5 EGBERN CCN(CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194026551 455793267 /nfs/dbraw/zinc/79/32/67/455793267.db2.gz NXHAIKDMARJZMP-UHFFFAOYSA-N 0 0 336.373 3.024 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271950020 455803490 /nfs/dbraw/zinc/80/34/90/455803490.db2.gz BJQNFVVGFNIWEJ-RYUDHWBXSA-N 0 0 326.418 3.288 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](CO)c1ccccc1 ZINC000278352034 455826730 /nfs/dbraw/zinc/82/67/30/455826730.db2.gz JSXPYRUACFKSQI-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCCS1 ZINC000272245291 455890138 /nfs/dbraw/zinc/89/01/38/455890138.db2.gz YZCSBEZXVTVOJT-SNVBAGLBSA-N 0 0 331.191 3.191 10 5 EGBERN O=C(NCCC1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194900315 455897564 /nfs/dbraw/zinc/89/75/64/455897564.db2.gz VZXUTNVSFFPKLW-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000188132941 456004962 /nfs/dbraw/zinc/00/49/62/456004962.db2.gz DMAHDAPXXYYHHJ-UHFFFAOYSA-N 0 0 333.369 3.269 10 5 EGBERN CO[C@H](C)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280798193 456054607 /nfs/dbraw/zinc/05/46/07/456054607.db2.gz UNKUQLDEUCOOJE-MRVPVSSYSA-N 0 0 345.193 3.419 10 5 EGBERN COc1cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc(OC)c1 ZINC000601099115 460709919 /nfs/dbraw/zinc/70/99/19/460709919.db2.gz TWRSCXIRZIGHPR-UHFFFAOYSA-N 0 0 346.265 3.108 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ccc3c(c2)CCO3)c1 ZINC000301444198 456117460 /nfs/dbraw/zinc/11/74/60/456117460.db2.gz OPGBEFVVFPSALH-UHFFFAOYSA-N 0 0 332.331 3.332 10 5 EGBERN Cc1ccc(Cl)cc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301470100 456122666 /nfs/dbraw/zinc/12/26/66/456122666.db2.gz OJMCAPSPSXTRRM-UHFFFAOYSA-N 0 0 331.715 3.357 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000281081583 456128251 /nfs/dbraw/zinc/12/82/51/456128251.db2.gz UPNAJHFSOOIPQF-UHFFFAOYSA-N 0 0 346.387 3.168 10 5 EGBERN COc1cc(NCc2cn(C)nc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000271111813 456129314 /nfs/dbraw/zinc/12/93/14/456129314.db2.gz UPHRBFYJFSDKIJ-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN COc1ccccc1N1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601110095 460714974 /nfs/dbraw/zinc/71/49/74/460714974.db2.gz ZGBGIODBLZFILH-LBPRGKRZSA-N 0 0 346.362 3.076 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000301510702 456134490 /nfs/dbraw/zinc/13/44/90/456134490.db2.gz BJGLCKZYUJCLOL-SWLSCSKDSA-N 0 0 329.400 3.256 10 5 EGBERN CC(C)(O)CSCCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301652806 456174620 /nfs/dbraw/zinc/17/46/20/456174620.db2.gz GSUYZMJLMCUGMF-UHFFFAOYSA-N 0 0 349.250 3.273 10 5 EGBERN COc1ccc(O)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188960959 456183753 /nfs/dbraw/zinc/18/37/53/456183753.db2.gz HEAMFJKAFYTPQI-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000601121717 460718310 /nfs/dbraw/zinc/71/83/10/460718310.db2.gz QHJLRQKITFTRAM-CQSZACIVSA-N 0 0 331.347 3.172 10 5 EGBERN Cc1cccc2c1ncnc2N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301696386 456190112 /nfs/dbraw/zinc/19/01/12/456190112.db2.gz NECLMOHIIHOCCT-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cc1csc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000301706056 456192775 /nfs/dbraw/zinc/19/27/75/456192775.db2.gz VLUQZMXINHITIM-UHFFFAOYSA-N 0 0 343.206 3.154 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000281306525 456196633 /nfs/dbraw/zinc/19/66/33/456196633.db2.gz ZFCHKFURUVKYJH-UHFFFAOYSA-N 0 0 349.774 3.314 10 5 EGBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(OC(F)F)cc1 ZINC000301819855 456223297 /nfs/dbraw/zinc/22/32/97/456223297.db2.gz AQAWMOKOPRFSII-SECBINFHSA-N 0 0 349.297 3.412 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000290072053 456231600 /nfs/dbraw/zinc/23/16/00/456231600.db2.gz GFENYUKBKNMCCI-IAQYHMDHSA-N 0 0 346.387 3.243 10 5 EGBERN CCc1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000301850357 456233177 /nfs/dbraw/zinc/23/31/77/456233177.db2.gz AAPWHMDQRUTQRQ-UHFFFAOYSA-N 0 0 334.397 3.173 10 5 EGBERN COc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1C ZINC000301898736 456246424 /nfs/dbraw/zinc/24/64/24/456246424.db2.gz SMJQOLDGCOWVJX-UHFFFAOYSA-N 0 0 336.369 3.059 10 5 EGBERN Cc1nc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903505 456247485 /nfs/dbraw/zinc/24/74/85/456247485.db2.gz OYBMHBZWTSVIBX-RHSMWYFYSA-N 0 0 348.353 3.434 10 5 EGBERN CCc1cc(N2CCOCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302007648 456268749 /nfs/dbraw/zinc/26/87/49/456268749.db2.gz WKVCDXYLXZQLDX-ZDUSSCGKSA-N 0 0 342.399 3.229 10 5 EGBERN COCCN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302031000 456272459 /nfs/dbraw/zinc/27/24/59/456272459.db2.gz NCJBBOICQWQQSH-JTQLQIEISA-N 0 0 348.230 3.059 10 5 EGBERN CCC[C@H](OC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000297715083 456278945 /nfs/dbraw/zinc/27/89/45/456278945.db2.gz IHZOIPRFBNICOZ-NSHDSACASA-N 0 0 331.166 3.111 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302068182 456279510 /nfs/dbraw/zinc/27/95/10/456279510.db2.gz WWQIQBUDCALZRQ-YVEFUNNKSA-N 0 0 333.388 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H](O)c1cc2ccccc2s1 ZINC000302075154 456280710 /nfs/dbraw/zinc/28/07/10/456280710.db2.gz XPUIRRSISMPVKN-HNNXBMFYSA-N 0 0 344.392 3.447 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000302142383 456297656 /nfs/dbraw/zinc/29/76/56/456297656.db2.gz PNLDNDZFNWVKRN-MLGOLLRUSA-N 0 0 341.367 3.364 10 5 EGBERN C[C@@H]1COCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342898524 456301515 /nfs/dbraw/zinc/30/15/15/456301515.db2.gz BLCNSGZAOJJRQA-NXEZZACHSA-N 0 0 346.305 3.016 10 5 EGBERN CCc1cnc(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)s1 ZINC000342932752 456320983 /nfs/dbraw/zinc/32/09/83/456320983.db2.gz GQHLWROQFQJLIC-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN COCC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccco1 ZINC000601140049 460727653 /nfs/dbraw/zinc/72/76/53/460727653.db2.gz QNXKNLRUTHIAAA-QMMMGPOBSA-N 0 0 348.281 3.130 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1scnc1C1CC1 ZINC000342943992 456329231 /nfs/dbraw/zinc/32/92/31/456329231.db2.gz DIXSNQTXYOFYPD-UHFFFAOYSA-N 0 0 347.400 3.162 10 5 EGBERN CC(C)(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000297993421 456339236 /nfs/dbraw/zinc/33/92/36/456339236.db2.gz XYXMMRWTUBXOKV-UHFFFAOYSA-N 0 0 342.676 3.387 10 5 EGBERN C[C@@H]1CC(CNc2c(Br)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000281880299 456348185 /nfs/dbraw/zinc/34/81/85/456348185.db2.gz OEUAKJCCYRYAED-RKDXNWHRSA-N 0 0 344.209 3.368 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000343055515 456375446 /nfs/dbraw/zinc/37/54/46/456375446.db2.gz UAWUTDWXTAWPMJ-TZMCWYRMSA-N 0 0 345.330 3.192 10 5 EGBERN CCOc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601148372 460731122 /nfs/dbraw/zinc/73/11/22/460731122.db2.gz AHKILEGKIVRNEZ-SFHVURJKSA-N 0 0 348.374 3.130 10 5 EGBERN CC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](C)O1 ZINC000601149548 460731836 /nfs/dbraw/zinc/73/18/36/460731836.db2.gz NXXMRDYUOIYLAD-CJNGLKHVSA-N 0 0 332.400 3.042 10 5 EGBERN CCC(=O)N[C@@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302833903 456413972 /nfs/dbraw/zinc/41/39/72/456413972.db2.gz SRUPVMSXVBUENS-LLVKDONJSA-N 0 0 325.796 3.052 10 5 EGBERN CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444581 456516085 /nfs/dbraw/zinc/51/60/85/456516085.db2.gz NHLQBKXGXKLGCM-IUODEOHRSA-N 0 0 344.415 3.455 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC(C)(C)CO ZINC000276668289 456546397 /nfs/dbraw/zinc/54/63/97/456546397.db2.gz YVOBQBSNJPZRFG-UHFFFAOYSA-N 0 0 328.796 3.085 10 5 EGBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000343395980 456591298 /nfs/dbraw/zinc/59/12/98/456591298.db2.gz HPGWHRBEDHYJKW-LBPRGKRZSA-N 0 0 343.383 3.217 10 5 EGBERN CCOc1cc(Oc2nc([C@H](C)OC)ns2)ccc1[N+](=O)[O-] ZINC000337935554 456609191 /nfs/dbraw/zinc/60/91/91/456609191.db2.gz JRQFPJKQUFQCIX-QMMMGPOBSA-N 0 0 325.346 3.345 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1c(F)cccc1Cl ZINC000319438339 456622724 /nfs/dbraw/zinc/62/27/24/456622724.db2.gz LCMCAJYBKCBBTE-UHFFFAOYSA-N 0 0 348.714 3.327 10 5 EGBERN Cc1nc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)sc1C(=O)[O-] ZINC000276977287 456637986 /nfs/dbraw/zinc/63/79/86/456637986.db2.gz HSYXYRWULGITRY-UHFFFAOYSA-N 0 0 349.412 3.089 10 5 EGBERN CCNc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000348403241 456668283 /nfs/dbraw/zinc/66/82/83/456668283.db2.gz DEPSDMIAKDYYFH-CYBMUJFWSA-N 0 0 347.415 3.058 10 5 EGBERN O=C(Nc1cnn(C(F)F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000343508955 456669198 /nfs/dbraw/zinc/66/91/98/456669198.db2.gz IZJUREVOTRJFIJ-UHFFFAOYSA-N 0 0 348.212 3.040 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncn2)no1 ZINC000338173641 456683312 /nfs/dbraw/zinc/68/33/12/456683312.db2.gz BXOZQXOHYTZTQN-VIFPVBQESA-N 0 0 329.341 3.288 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc2ccccc2o1 ZINC000340781371 456683342 /nfs/dbraw/zinc/68/33/42/456683342.db2.gz VBAXKNIBNXKTGG-UHFFFAOYSA-N 0 0 347.277 3.220 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277140287 456694662 /nfs/dbraw/zinc/69/46/62/456694662.db2.gz PGQMIMDRDUIWFI-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000277183221 456713342 /nfs/dbraw/zinc/71/33/42/456713342.db2.gz GYQBZDGBVOJJKV-GFCCVEGCSA-N 0 0 344.371 3.248 10 5 EGBERN Cc1nn(C)c(N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000340955106 456782299 /nfs/dbraw/zinc/78/22/99/456782299.db2.gz AHTFNVZCASDTIL-UONOGXRCSA-N 0 0 330.388 3.295 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283500445 456792175 /nfs/dbraw/zinc/79/21/75/456792175.db2.gz FTEUPNHJDVNXKD-UHFFFAOYSA-N 0 0 347.802 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2cccc(Cl)c2Cl)c1=O ZINC000338404459 456800677 /nfs/dbraw/zinc/80/06/77/456800677.db2.gz BTNGCIFGMDQURM-UHFFFAOYSA-N 0 0 341.150 3.255 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000344702651 456850623 /nfs/dbraw/zinc/85/06/23/456850623.db2.gz TWERPMQOSSPCMQ-LBPRGKRZSA-N 0 0 348.428 3.305 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341329929 456851103 /nfs/dbraw/zinc/85/11/03/456851103.db2.gz UOMPJUSYPWUPIU-LLVKDONJSA-N 0 0 327.340 3.044 10 5 EGBERN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341329246 456851294 /nfs/dbraw/zinc/85/12/94/456851294.db2.gz OMTRVZUVPVWOAF-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000348910911 456887497 /nfs/dbraw/zinc/88/74/97/456887497.db2.gz XEZCFHNUPDKTJQ-MNOVXSKESA-N 0 0 342.399 3.026 10 5 EGBERN CCc1ncnc(CC)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339017653 456902702 /nfs/dbraw/zinc/90/27/02/456902702.db2.gz MQRLVMPFDJIQFG-LLVKDONJSA-N 0 0 328.372 3.001 10 5 EGBERN Cc1cc(COCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000341727887 456917868 /nfs/dbraw/zinc/91/78/68/456917868.db2.gz OKJMGVPCPPTIML-UHFFFAOYSA-N 0 0 347.371 3.344 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CC1 ZINC000341817787 456957622 /nfs/dbraw/zinc/95/76/22/456957622.db2.gz BVCOIXMPSYIYBW-UHFFFAOYSA-N 0 0 349.431 3.133 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000339144826 456962086 /nfs/dbraw/zinc/96/20/86/456962086.db2.gz SGPYLUKCAZGWTD-SNVBAGLBSA-N 0 0 340.339 3.431 10 5 EGBERN CCc1nc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)cs1 ZINC000353911047 456962268 /nfs/dbraw/zinc/96/22/68/456962268.db2.gz GGWMDIDDYNAYAB-UHFFFAOYSA-N 0 0 334.401 3.498 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000339148188 456963981 /nfs/dbraw/zinc/96/39/81/456963981.db2.gz FVVHFXUENUHVSG-SECBINFHSA-N 0 0 333.319 3.276 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341915941 456999485 /nfs/dbraw/zinc/99/94/85/456999485.db2.gz IUQHCXQPSIKCNU-DYVFJYSZSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000341936591 457012311 /nfs/dbraw/zinc/01/23/11/457012311.db2.gz CYWCVRLOEAFOLM-MRVPVSSYSA-N 0 0 341.339 3.058 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000358879829 457020230 /nfs/dbraw/zinc/02/02/30/457020230.db2.gz HNMWADNHLPMOQQ-UHFFFAOYSA-N 0 0 348.742 3.215 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000341955075 457023650 /nfs/dbraw/zinc/02/36/50/457023650.db2.gz VFLSJPOCVDXZBQ-DINDLPBHSA-N 0 0 344.342 3.417 10 5 EGBERN Cc1cn2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1 ZINC000339261734 457026109 /nfs/dbraw/zinc/02/61/09/457026109.db2.gz CKSVVIAGJRDZFG-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN COc1c(C(=O)Nc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000359259227 457070865 /nfs/dbraw/zinc/07/08/65/457070865.db2.gz IAZSMUPLNUZKJT-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CC[C@]1(C)CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330793563 457086864 /nfs/dbraw/zinc/08/68/64/457086864.db2.gz VPOIIYVNFXBNJP-OAHLLOKOSA-N 0 0 328.315 3.458 10 5 EGBERN CC[C@@]1(C)CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330793562 457087278 /nfs/dbraw/zinc/08/72/78/457087278.db2.gz VPOIIYVNFXBNJP-HNNXBMFYSA-N 0 0 328.315 3.458 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000342064582 457088061 /nfs/dbraw/zinc/08/80/61/457088061.db2.gz QJBOLRDQBLYVDL-CHWSQXEVSA-N 0 0 338.367 3.383 10 5 EGBERN O=C(c1coc2cc(F)ccc12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000356634288 457093298 /nfs/dbraw/zinc/09/32/98/457093298.db2.gz PVZFBSGCDXUQKW-UHFFFAOYSA-N 0 0 341.298 3.074 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000354265348 457162457 /nfs/dbraw/zinc/16/24/57/457162457.db2.gz OICRWKWBGGTNAA-AWEZNQCLSA-N 0 0 348.424 3.417 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000359963257 457173691 /nfs/dbraw/zinc/17/36/91/457173691.db2.gz IUTGHJOKOSOTEY-CABCVRRESA-N 0 0 342.351 3.354 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342235640 457185324 /nfs/dbraw/zinc/18/53/24/457185324.db2.gz BFSXFMBFPKBQPZ-GFCCVEGCSA-N 0 0 332.278 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000354429917 457217823 /nfs/dbraw/zinc/21/78/23/457217823.db2.gz QWDSWZTVJOJFLD-UHFFFAOYSA-N 0 0 329.143 3.183 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1c(F)cccc1Br ZINC000356925649 457223460 /nfs/dbraw/zinc/22/34/60/457223460.db2.gz PNUUZMZCOUTDOS-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3[C@@H](C)[C@@H]3c3ccccc3)n2)n1C ZINC000347130449 457245999 /nfs/dbraw/zinc/24/59/99/457245999.db2.gz CFOMGLXZGRZZQS-ZWKOPEQDSA-N 0 0 339.355 3.204 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCOC[C@@H]2CC2CCC2)c(F)c1 ZINC000339774017 457262308 /nfs/dbraw/zinc/26/23/08/457262308.db2.gz WDNROVWLLSDNOR-ZDUSSCGKSA-N 0 0 326.343 3.264 10 5 EGBERN COc1ccc(-c2ccc(CN[C@@H](C)c3cn[nH]c3)o2)c([N+](=O)[O-])c1 ZINC000339791157 457272041 /nfs/dbraw/zinc/27/20/41/457272041.db2.gz WPWFYJXRHGASPW-NSHDSACASA-N 0 0 342.355 3.437 10 5 EGBERN CN(CC1(CO)CC1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347196043 457283334 /nfs/dbraw/zinc/28/33/34/457283334.db2.gz VRDTWPQGBNVSBX-UHFFFAOYSA-N 0 0 335.404 3.129 10 5 EGBERN COCC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000357058232 457303080 /nfs/dbraw/zinc/30/30/80/457303080.db2.gz KPVDGOUEENPMTF-OAHLLOKOSA-N 0 0 343.339 3.177 10 5 EGBERN Cc1nc(C)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000342480659 457327079 /nfs/dbraw/zinc/32/70/79/457327079.db2.gz AZDVIVQLYWGCHQ-UHFFFAOYSA-N 0 0 327.312 3.128 10 5 EGBERN COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342486745 457330437 /nfs/dbraw/zinc/33/04/37/457330437.db2.gz LHCATPMQFGNEEH-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN CSc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000340111975 457335894 /nfs/dbraw/zinc/33/58/94/457335894.db2.gz QKSIUMPBPHDDFR-UHFFFAOYSA-N 0 0 345.424 3.359 10 5 EGBERN CCSCC[C@@H](C)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342508563 457341166 /nfs/dbraw/zinc/34/11/66/457341166.db2.gz DMGMDNVMXLRWKX-SNVBAGLBSA-N 0 0 346.399 3.406 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000360781382 457349530 /nfs/dbraw/zinc/34/95/30/457349530.db2.gz MQYOLSCWYJUSOE-MRVPVSSYSA-N 0 0 327.262 3.010 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000360795669 457356882 /nfs/dbraw/zinc/35/68/82/457356882.db2.gz DXLADFUXUBJSFN-ZDUSSCGKSA-N 0 0 345.403 3.149 10 5 EGBERN O=[N+]([O-])c1nn(CCc2cccc(F)c2F)cc1Br ZINC000342552568 457362679 /nfs/dbraw/zinc/36/26/79/457362679.db2.gz YXGHPZLVLAPXMM-UHFFFAOYSA-N 0 0 332.104 3.075 10 5 EGBERN O=C(N[C@@H]1CC12CC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000424993410 457397396 /nfs/dbraw/zinc/39/73/96/457397396.db2.gz WTTWMHWZWBLDLY-QGZVFWFLSA-N 0 0 337.379 3.489 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC(CC(F)F)C1 ZINC000425076220 457430692 /nfs/dbraw/zinc/43/06/92/457430692.db2.gz NGCCDHFLODJGBB-UHFFFAOYSA-N 0 0 342.345 3.409 10 5 EGBERN COc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000357306078 457433213 /nfs/dbraw/zinc/43/32/13/457433213.db2.gz BLJYREMAAAVLIO-WTKPLQERSA-N 0 0 338.323 3.143 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3nc4ccccc4o3)n2)nc1 ZINC000357305874 457433939 /nfs/dbraw/zinc/43/39/39/457433939.db2.gz AGXCZTRLEOBNNH-BQYQJAHWSA-N 0 0 349.306 3.275 10 5 EGBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342671276 457443760 /nfs/dbraw/zinc/44/37/60/457443760.db2.gz CHGJPOORCXTXMB-YVEFUNNKSA-N 0 0 335.404 3.294 10 5 EGBERN C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1F ZINC000357326584 457447014 /nfs/dbraw/zinc/44/70/14/457447014.db2.gz GKAJQXVSZHAKRB-JTQLQIEISA-N 0 0 328.303 3.255 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1csc(N(C)C2CC2)n1 ZINC000352549648 457459520 /nfs/dbraw/zinc/45/95/20/457459520.db2.gz FFCVGRAYJGBHTH-UHFFFAOYSA-N 0 0 346.456 3.324 10 5 EGBERN CCc1ncsc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342712577 457473872 /nfs/dbraw/zinc/47/38/72/457473872.db2.gz BXGDXFULOAJUBG-UHFFFAOYSA-N 0 0 327.312 3.073 10 5 EGBERN CCc1cnccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000347570395 457516897 /nfs/dbraw/zinc/51/68/97/457516897.db2.gz RFXRKBZAOBPNKF-KRWDZBQOSA-N 0 0 343.408 3.440 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000357454904 457539121 /nfs/dbraw/zinc/53/91/21/457539121.db2.gz HQLMGQUQQYDRRD-JTQLQIEISA-N 0 0 346.314 3.012 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000342863216 457563168 /nfs/dbraw/zinc/56/31/68/457563168.db2.gz WMCDUTUGTFORHG-JKSUJKDBSA-N 0 0 325.368 3.287 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)c1ccnc(C(F)(F)F)c1 ZINC000361085419 457574437 /nfs/dbraw/zinc/57/44/37/457574437.db2.gz HIKCCVOUBZOVIM-UHFFFAOYSA-N 0 0 344.220 3.409 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000374490588 457639682 /nfs/dbraw/zinc/63/96/82/457639682.db2.gz XSMSONZXEXKYIT-SUMWQHHRSA-N 0 0 344.342 3.242 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N(CCC(F)(F)F)Cc1ccccc1 ZINC000357653683 457641514 /nfs/dbraw/zinc/64/15/14/457641514.db2.gz JOKMEUXWNBCRTN-UHFFFAOYSA-N 0 0 328.294 3.287 10 5 EGBERN Nc1c(C(=O)N2CC(Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000374528722 457649669 /nfs/dbraw/zinc/64/96/69/457649669.db2.gz DDWYWLIVTWHQDF-UHFFFAOYSA-N 0 0 345.786 3.145 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000374566808 457662602 /nfs/dbraw/zinc/66/26/02/457662602.db2.gz TUNRORJVNHWFLL-UHFFFAOYSA-N 0 0 328.324 3.213 10 5 EGBERN CSc1ccc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000370630487 457686612 /nfs/dbraw/zinc/68/66/12/457686612.db2.gz HYTWGEDELLMSIR-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccc(F)cc2O1 ZINC000370630687 457686639 /nfs/dbraw/zinc/68/66/39/457686639.db2.gz XDFSNURSBJXFJL-CQSZACIVSA-N 0 0 345.330 3.161 10 5 EGBERN C[C@@H]1N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000374944977 457738705 /nfs/dbraw/zinc/73/87/05/457738705.db2.gz JCYZXXLAPNTGAO-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN C[C@@H]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358024894 457743140 /nfs/dbraw/zinc/74/31/40/457743140.db2.gz IQZLYQHPAJVHTK-NXEZZACHSA-N 0 0 328.315 3.362 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCn4c(cc5ccccc54)C3)nc2c1 ZINC000361498691 457755800 /nfs/dbraw/zinc/75/58/00/457755800.db2.gz LUSOKPGSQIRITO-UHFFFAOYSA-N 0 0 347.378 3.442 10 5 EGBERN CC(C)(C)c1ccc(NCc2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000375059063 457773469 /nfs/dbraw/zinc/77/34/69/457773469.db2.gz NAACTBMLYJAYKA-UHFFFAOYSA-N 0 0 329.404 3.432 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411533070 457913761 /nfs/dbraw/zinc/91/37/61/457913761.db2.gz ZMJWIOHDTYVRRM-ZWKOTPCHSA-N 0 0 346.427 3.362 10 5 EGBERN CC(C)(C)C1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000361866903 457916249 /nfs/dbraw/zinc/91/62/49/457916249.db2.gz CWIHXYIYDSQQGI-UHFFFAOYSA-N 0 0 337.445 3.064 10 5 EGBERN CCOC[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000458067944 457920837 /nfs/dbraw/zinc/92/08/37/457920837.db2.gz ISJKGFAHEWVLID-ZDUSSCGKSA-N 0 0 331.372 3.107 10 5 EGBERN O=C(NCc1cc(F)c(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000433995730 457927422 /nfs/dbraw/zinc/92/74/22/457927422.db2.gz ZIYZHETWNMLSQY-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000375451387 457936078 /nfs/dbraw/zinc/93/60/78/457936078.db2.gz RZEOSFRUVBIETR-NSHDSACASA-N 0 0 335.795 3.390 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427368406 457978698 /nfs/dbraw/zinc/97/86/98/457978698.db2.gz XRDOWTSTCDMBCG-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN CN(Cc1cccnc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444824344 457984072 /nfs/dbraw/zinc/98/40/72/457984072.db2.gz AXEILEFJMRSFSV-UHFFFAOYSA-N 0 0 343.386 3.349 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2C)C2CC2)n1 ZINC000427593765 458006213 /nfs/dbraw/zinc/00/62/13/458006213.db2.gz MILCUXGWHXUKCR-HNNXBMFYSA-N 0 0 328.372 3.001 10 5 EGBERN CS[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445138925 458019472 /nfs/dbraw/zinc/01/94/72/458019472.db2.gz VHOGNNCBZJOHLV-LLVKDONJSA-N 0 0 326.421 3.163 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000371705569 458041670 /nfs/dbraw/zinc/04/16/70/458041670.db2.gz DUABZDYVUUHYFW-UHFFFAOYSA-N 0 0 326.278 3.139 10 5 EGBERN COc1ccc(F)cc1[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427990309 458062341 /nfs/dbraw/zinc/06/23/41/458062341.db2.gz IEJVUOUJFVGTNS-SECBINFHSA-N 0 0 330.319 3.214 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3cccs3)n2)n1C ZINC000445600686 458067801 /nfs/dbraw/zinc/06/78/01/458067801.db2.gz NJWMVPMRXKKEMO-UHFFFAOYSA-N 0 0 333.373 3.074 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000371800968 458079316 /nfs/dbraw/zinc/07/93/16/458079316.db2.gz FJYBBLVGEVNNKV-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN COC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000358643636 458125057 /nfs/dbraw/zinc/12/50/57/458125057.db2.gz UGSUVBQMFQIBKC-INIZCTEOSA-N 0 0 343.383 3.090 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc2ccccc2n1 ZINC000446024655 458129185 /nfs/dbraw/zinc/12/91/85/458129185.db2.gz UNWHHRZBMGTSOD-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000428403036 458135075 /nfs/dbraw/zinc/13/50/75/458135075.db2.gz SIZJEVDYESPWCU-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458700807 458141122 /nfs/dbraw/zinc/14/11/22/458141122.db2.gz DSNLUJSHFHJAOL-NWDGAFQWSA-N 0 0 345.403 3.191 10 5 EGBERN CC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022443 458168049 /nfs/dbraw/zinc/16/80/49/458168049.db2.gz SQLVUDOBPZYIGI-BBRMVZONSA-N 0 0 340.807 3.018 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 ZINC000428679979 458189425 /nfs/dbraw/zinc/18/94/25/458189425.db2.gz MUHPZFSQUWUETC-WMZOPIPTSA-N 0 0 345.374 3.315 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000372109508 458197486 /nfs/dbraw/zinc/19/74/86/458197486.db2.gz SJEVXUFBWILSQS-UHFFFAOYSA-N 0 0 345.305 3.198 10 5 EGBERN Cn1nccc1C1=CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000376237555 458244496 /nfs/dbraw/zinc/24/44/96/458244496.db2.gz VEFPCWOHQOQPKS-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN CCOC(=O)c1nnc(SCc2cccc([N+](=O)[O-])c2C)s1 ZINC000447329421 458285158 /nfs/dbraw/zinc/28/51/58/458285158.db2.gz KNJJCXPMBBIWAD-UHFFFAOYSA-N 0 0 339.398 3.224 10 5 EGBERN Cc1ccc(OC(F)F)c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447694655 458329868 /nfs/dbraw/zinc/32/98/68/458329868.db2.gz SSZXKTKVGRDPJK-UHFFFAOYSA-N 0 0 348.309 3.415 10 5 EGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CCCCO1 ZINC000601190179 460746500 /nfs/dbraw/zinc/74/65/00/460746500.db2.gz RUWHRMGQQOZKHZ-RKDXNWHRSA-N 0 0 336.314 3.107 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1Cc2ccc(Cl)cc2C1 ZINC000459764002 458472120 /nfs/dbraw/zinc/47/21/20/458472120.db2.gz NFTFXSAWGKKUTE-OAHLLOKOSA-N 0 0 348.786 3.004 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000459906284 458490562 /nfs/dbraw/zinc/49/05/62/458490562.db2.gz UADFJKNBIXNOEP-VIFPVBQESA-N 0 0 344.314 3.376 10 5 EGBERN CC(C)C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000468771656 458534928 /nfs/dbraw/zinc/53/49/28/458534928.db2.gz AZUAUYIGXNXHGO-NSHDSACASA-N 0 0 332.447 3.103 10 5 EGBERN CO[C@H](CSCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000424155492 458572602 /nfs/dbraw/zinc/57/26/02/458572602.db2.gz PSKNBRLJGMVTKK-CQSZACIVSA-N 0 0 325.386 3.120 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000378033200 458604875 /nfs/dbraw/zinc/60/48/75/458604875.db2.gz BKWNDRVHOSSSLA-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN Cc1ccc([C@@H](C)N(C)c2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000502419016 458649400 /nfs/dbraw/zinc/64/94/00/458649400.db2.gz ICASJVMBSLYNIL-CYBMUJFWSA-N 0 0 325.372 3.452 10 5 EGBERN Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439098702 458653556 /nfs/dbraw/zinc/65/35/56/458653556.db2.gz LOACJWVTVURAGE-SECBINFHSA-N 0 0 336.779 3.090 10 5 EGBERN Cc1cc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(C)c1O ZINC000470897670 458660182 /nfs/dbraw/zinc/66/01/82/458660182.db2.gz OTDOOTBSFCRDPZ-UHFFFAOYSA-N 0 0 332.331 3.029 10 5 EGBERN CC1(C)C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494341791 458661245 /nfs/dbraw/zinc/66/12/45/458661245.db2.gz ZYOWXSVYKFUXEN-LLVKDONJSA-N 0 0 331.294 3.211 10 5 EGBERN CCOC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000462901469 458665854 /nfs/dbraw/zinc/66/58/54/458665854.db2.gz CUSOMQGEOIRSIA-AWEZNQCLSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955571 458668132 /nfs/dbraw/zinc/66/81/32/458668132.db2.gz MKMNEQMIGVCRGV-JQWIXIFHSA-N 0 0 345.321 3.114 10 5 EGBERN CCCn1nccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000494458986 458681109 /nfs/dbraw/zinc/68/11/09/458681109.db2.gz WBSYIUJURZAXRT-UHFFFAOYSA-N 0 0 331.376 3.258 10 5 EGBERN C/C=C\C[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)OCC ZINC000463392923 458694599 /nfs/dbraw/zinc/69/45/99/458694599.db2.gz OXPJAQHHDIBUBZ-IQCBXXCUSA-N 0 0 348.399 3.148 10 5 EGBERN CCCc1ncc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)o1 ZINC000456507451 458698199 /nfs/dbraw/zinc/69/81/99/458698199.db2.gz SASUZAPFPILNCS-UHFFFAOYSA-N 0 0 331.372 3.391 10 5 EGBERN COC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000494591208 458705492 /nfs/dbraw/zinc/70/54/92/458705492.db2.gz VGNHGTUOBPBQSM-NSHDSACASA-N 0 0 343.339 3.264 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000456566123 458715866 /nfs/dbraw/zinc/71/58/66/458715866.db2.gz ZLRPVGBILFCTBX-BXUZGUMPSA-N 0 0 347.396 3.010 10 5 EGBERN CO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000456648872 458740662 /nfs/dbraw/zinc/74/06/62/458740662.db2.gz QOYXQYWOJXQSQN-JKSUJKDBSA-N 0 0 343.383 3.106 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000456779593 458779769 /nfs/dbraw/zinc/77/97/69/458779769.db2.gz SMCINLLPKZGDKM-CABCVRRESA-N 0 0 342.399 3.032 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530515092 458781599 /nfs/dbraw/zinc/78/15/99/458781599.db2.gz LXASVKVSBGASLS-UHFFFAOYSA-N 0 0 326.418 3.042 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc2ncsc2c1 ZINC000547946081 458812773 /nfs/dbraw/zinc/81/27/73/458812773.db2.gz LDKBUHRVMUETFQ-VIFPVBQESA-N 0 0 330.369 3.034 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O ZINC000530856139 458835957 /nfs/dbraw/zinc/83/59/57/458835957.db2.gz XYUYSOHMLDWNCV-DVYJOKAKSA-N 0 0 343.305 3.035 10 5 EGBERN CC(F)(F)c1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000440656237 458840267 /nfs/dbraw/zinc/84/02/67/458840267.db2.gz RUVKSDNDJULMEY-UHFFFAOYSA-N 0 0 338.314 3.277 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000457090949 458862847 /nfs/dbraw/zinc/86/28/47/458862847.db2.gz RFUWLVWGFYHJHT-LBPRGKRZSA-N 0 0 338.429 3.205 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000549194970 458878639 /nfs/dbraw/zinc/87/86/39/458878639.db2.gz VADUPEHXVGVAEX-HNNXBMFYSA-N 0 0 338.432 3.305 10 5 EGBERN O=c1[nH]c(NCc2c(F)cccc2Cl)nc2ccc([N+](=O)[O-])cc12 ZINC000518809175 458895880 /nfs/dbraw/zinc/89/58/80/458895880.db2.gz GXWBBISVOZKTIV-UHFFFAOYSA-N 0 0 348.721 3.070 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000441410146 458937604 /nfs/dbraw/zinc/93/76/04/458937604.db2.gz PLYPFRQGMHTYIE-UHFFFAOYSA-N 0 0 340.742 3.270 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000566739103 458992530 /nfs/dbraw/zinc/99/25/30/458992530.db2.gz NJXVLKWANIHIBB-UHFFFAOYSA-N 0 0 328.372 3.287 10 5 EGBERN C[C@@H](C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566951503 459025507 /nfs/dbraw/zinc/02/55/07/459025507.db2.gz WKCAWPGDYKXDPN-WBMJQRKESA-N 0 0 344.415 3.335 10 5 EGBERN COc1cc(N[C@H](c2ccccc2F)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000577402307 459028717 /nfs/dbraw/zinc/02/87/17/459028717.db2.gz XVFGUHQMMYLIAD-FVMDXXJSSA-N 0 0 338.310 3.416 10 5 EGBERN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532137266 459035673 /nfs/dbraw/zinc/03/56/73/459035673.db2.gz AQKQDVSERUZULA-UHFFFAOYSA-N 0 0 337.339 3.386 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)[C@]12CCCO2 ZINC000567044860 459039441 /nfs/dbraw/zinc/03/94/41/459039441.db2.gz OGIOZQSLPMQFOB-LZLYRXPVSA-N 0 0 347.415 3.007 10 5 EGBERN Cc1c(-c2noc(-c3cnn4c3C[C@@H](C)CC4)n2)cccc1[N+](=O)[O-] ZINC000567048053 459039822 /nfs/dbraw/zinc/03/98/22/459039822.db2.gz JDCPZCUADKZCRZ-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594520835 459077768 /nfs/dbraw/zinc/07/77/68/459077768.db2.gz PYIRADVZLSKWCE-ZIAGYGMSSA-N 0 0 332.322 3.493 10 5 EGBERN O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000532392693 459078826 /nfs/dbraw/zinc/07/88/26/459078826.db2.gz GWNOBZRPEJALEU-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN COc1ccc(OC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532392344 459079821 /nfs/dbraw/zinc/07/98/21/459079821.db2.gz IWDXUPBONKCDDY-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN COc1cc(NC[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000594596322 459103454 /nfs/dbraw/zinc/10/34/54/459103454.db2.gz RHRVNYNGWSDDPD-VIFPVBQESA-N 0 0 328.340 3.132 10 5 EGBERN COC(=O)c1cc(NCCc2ncc(C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000594596248 459103471 /nfs/dbraw/zinc/10/34/71/459103471.db2.gz QTHLKWHZAKXWAK-UHFFFAOYSA-N 0 0 343.383 3.356 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1 ZINC000590280180 459108774 /nfs/dbraw/zinc/10/87/74/459108774.db2.gz QNYKWGKGOAOGOY-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1cc(N2CCO[C@]3(CCSC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000567467426 459112078 /nfs/dbraw/zinc/11/20/78/459112078.db2.gz YDHONLTWAOBYFU-QGZVFWFLSA-N 0 0 345.424 3.164 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000521164000 459123867 /nfs/dbraw/zinc/12/38/67/459123867.db2.gz JBGKYFRYEHZBFC-PXAZEXFGSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590445342 459132294 /nfs/dbraw/zinc/13/22/94/459132294.db2.gz RDJJLOKXNCAVGT-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN COc1cc(CNc2ccc3c(c2)CCOC3)c([N+](=O)[O-])cc1F ZINC000594707688 459135196 /nfs/dbraw/zinc/13/51/96/459135196.db2.gz VTEDDWJZSGKMHN-UHFFFAOYSA-N 0 0 332.331 3.427 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1C[C@@H]1CCCCC1(F)F)CCCC2 ZINC000567851486 459177527 /nfs/dbraw/zinc/17/75/27/459177527.db2.gz LMZAJPYLMKDFPR-LBPRGKRZSA-N 0 0 326.343 3.461 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC000567866479 459180967 /nfs/dbraw/zinc/18/09/67/459180967.db2.gz XKPFRYAGJBMEDH-WFASDCNBSA-N 0 0 344.367 3.397 10 5 EGBERN CCOC(=O)CC[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590695862 459186451 /nfs/dbraw/zinc/18/64/51/459186451.db2.gz QZJARWUYNYFENQ-LBPRGKRZSA-N 0 0 346.387 3.031 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590707238 459190019 /nfs/dbraw/zinc/19/00/19/459190019.db2.gz BCMAEIRYZXAWHL-PBFPGSCMSA-N 0 0 341.411 3.440 10 5 EGBERN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041406 459225659 /nfs/dbraw/zinc/22/56/59/459225659.db2.gz PSXNVPFDKWTSTF-RYUDHWBXSA-N 0 0 331.372 3.419 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000590917149 459267463 /nfs/dbraw/zinc/26/74/63/459267463.db2.gz YGJRGZADPGQMLD-NVXWUHKLSA-N 0 0 325.368 3.398 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000590917150 459267681 /nfs/dbraw/zinc/26/76/81/459267681.db2.gz YGJRGZADPGQMLD-RDJZCZTQSA-N 0 0 325.368 3.398 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288082 459267662 /nfs/dbraw/zinc/26/76/62/459267662.db2.gz YEBRZQCUKKGNNT-AWEZNQCLSA-N 0 0 347.371 3.246 10 5 EGBERN Cc1noc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328770 459277900 /nfs/dbraw/zinc/27/79/00/459277900.db2.gz ZFQMMBSZHQUTRK-CJNGLKHVSA-N 0 0 345.399 3.470 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591125661 459318498 /nfs/dbraw/zinc/31/84/98/459318498.db2.gz IFHOQRWPGYYABI-GFCCVEGCSA-N 0 0 340.326 3.458 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000523731612 459326393 /nfs/dbraw/zinc/32/63/93/459326393.db2.gz VQXJRHFAISIGTQ-STQMWFEESA-N 0 0 348.399 3.312 10 5 EGBERN CCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000582334554 459346799 /nfs/dbraw/zinc/34/67/99/459346799.db2.gz YFTPPMQHIMNWCU-UHFFFAOYSA-N 0 0 330.388 3.203 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000591319867 459354527 /nfs/dbraw/zinc/35/45/27/459354527.db2.gz JDKVHYHXIVXTNG-ABZNLYFFSA-N 0 0 346.412 3.478 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000560540771 459369386 /nfs/dbraw/zinc/36/93/86/459369386.db2.gz UHLYQCVTBNCWCA-HYSWKAIVSA-N 0 0 342.399 3.106 10 5 EGBERN COc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000569357169 459437713 /nfs/dbraw/zinc/43/77/13/459437713.db2.gz YDACYYGODLUFDB-NKWVEPMBSA-N 0 0 341.270 3.378 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccc(C)cc3)C2)n1 ZINC000561268708 459438609 /nfs/dbraw/zinc/43/86/09/459438609.db2.gz SXJYHNFLHLUXIA-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000591845642 459454058 /nfs/dbraw/zinc/45/40/58/459454058.db2.gz FAAFXAMJOCPCDO-SECBINFHSA-N 0 0 335.148 3.444 10 5 EGBERN COc1ccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595890842 459476906 /nfs/dbraw/zinc/47/69/06/459476906.db2.gz NELQLSOCGNNDNP-PWSUYJOCSA-N 0 0 348.321 3.145 10 5 EGBERN CN1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978484 459482699 /nfs/dbraw/zinc/48/26/99/459482699.db2.gz JMFFOGVFZFMWDT-HOCLYGCPSA-N 0 0 334.326 3.125 10 5 EGBERN COc1cc(CN2CC3CC2(C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000595917141 459486058 /nfs/dbraw/zinc/48/60/58/459486058.db2.gz XVSJBUOPSWQLDU-UHFFFAOYSA-N 0 0 328.315 3.189 10 5 EGBERN COc1ccccc1C1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000591933177 459490625 /nfs/dbraw/zinc/49/06/25/459490625.db2.gz GIDPYZXGUJSKFO-UHFFFAOYSA-N 0 0 341.367 3.092 10 5 EGBERN CCCc1ncc(CNc2ccc(CC(=O)OCC)cc2[N+](=O)[O-])o1 ZINC000591947747 459493765 /nfs/dbraw/zinc/49/37/65/459493765.db2.gz SSINBRKURAKZRC-UHFFFAOYSA-N 0 0 347.371 3.253 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C2CCCCC2)C1=O ZINC000562065380 459509381 /nfs/dbraw/zinc/50/93/81/459509381.db2.gz FUKDTHVKAUHKCV-ABAIWWIYSA-N 0 0 331.372 3.157 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592006688 459509699 /nfs/dbraw/zinc/50/96/99/459509699.db2.gz PUPBEBOOHVFPNX-CYBMUJFWSA-N 0 0 337.738 3.360 10 5 EGBERN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592031631 459513429 /nfs/dbraw/zinc/51/34/29/459513429.db2.gz DEXYANULNGGDMN-LLVKDONJSA-N 0 0 329.347 3.070 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000583332577 459522829 /nfs/dbraw/zinc/52/28/29/459522829.db2.gz LWMCZGYCUSFWOV-GFCCVEGCSA-N 0 0 347.346 3.185 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H](O)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596132239 459531392 /nfs/dbraw/zinc/53/13/92/459531392.db2.gz VPOQQPYCUFTXNG-SECBINFHSA-N 0 0 344.795 3.244 10 5 EGBERN COc1cc(N2CCC(c3c[nH]cn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596159943 459542408 /nfs/dbraw/zinc/54/24/08/459542408.db2.gz SVSPRBFOIDQIEZ-UHFFFAOYSA-N 0 0 336.779 3.364 10 5 EGBERN COc1cc(NCc2nnc(C)n2C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596183652 459551321 /nfs/dbraw/zinc/55/13/21/459551321.db2.gz MYAVARFRLHBGHV-UHFFFAOYSA-N 0 0 337.767 3.104 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@@H](C2CCCCC2)C1 ZINC000596198950 459558977 /nfs/dbraw/zinc/55/89/77/459558977.db2.gz PCVMLEPYLOGWEH-CQSZACIVSA-N 0 0 325.796 3.429 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596204944 459559522 /nfs/dbraw/zinc/55/95/22/459559522.db2.gz DNHGQKWCNYMCFP-VIFPVBQESA-N 0 0 344.820 3.367 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CCCSC)ccc1[N+](=O)[O-] ZINC000596221474 459565018 /nfs/dbraw/zinc/56/50/18/459565018.db2.gz XJEGPRJDOKRJOQ-UHFFFAOYSA-N 0 0 332.809 3.224 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596223640 459565678 /nfs/dbraw/zinc/56/56/78/459565678.db2.gz UBUZWUFUDGQDIJ-UWVGGRQHSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596229897 459567973 /nfs/dbraw/zinc/56/79/73/459567973.db2.gz RHKANAMTHFOTJI-NXEZZACHSA-N 0 0 342.779 3.119 10 5 EGBERN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596236625 459570247 /nfs/dbraw/zinc/57/02/47/459570247.db2.gz ZOFLDFDOFXHSKM-UONOGXRCSA-N 0 0 329.356 3.353 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000596238111 459571540 /nfs/dbraw/zinc/57/15/40/459571540.db2.gz OBRCNTVVYDRBRC-UHFFFAOYSA-N 0 0 334.706 3.492 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1OCCO[C@H]1CC1(F)F ZINC000596260418 459578350 /nfs/dbraw/zinc/57/83/50/459578350.db2.gz GWIODWGQHDALME-JTQLQIEISA-N 0 0 338.104 3.160 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccccn3)C2)c1 ZINC000596305722 459589893 /nfs/dbraw/zinc/58/98/93/459589893.db2.gz KOVQDJPNNCLDLC-CQSZACIVSA-N 0 0 341.367 3.160 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596359275 459608064 /nfs/dbraw/zinc/60/80/64/459608064.db2.gz FXPLHWOTLBAYTK-WOSRLPQWSA-N 0 0 345.399 3.121 10 5 EGBERN CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922382 459611436 /nfs/dbraw/zinc/61/14/36/459611436.db2.gz CIKFPRBIZILWRZ-CHWSQXEVSA-N 0 0 327.375 3.317 10 5 EGBERN O=[N+]([O-])c1cc(CSCCO[C@@H]2CC2(F)F)c2c(c1)COCO2 ZINC000596399229 459623093 /nfs/dbraw/zinc/62/30/93/459623093.db2.gz FSEWOEIWBVRYDS-GFCCVEGCSA-N 0 0 347.339 3.119 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596423678 459632769 /nfs/dbraw/zinc/63/27/69/459632769.db2.gz OGLZGHRBANCBRG-KRWDZBQOSA-N 0 0 341.411 3.082 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000596442271 459638080 /nfs/dbraw/zinc/63/80/80/459638080.db2.gz KHMGIHJUVSMQGF-GASCZTMLSA-N 0 0 328.315 3.059 10 5 EGBERN C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000596472964 459648761 /nfs/dbraw/zinc/64/87/61/459648761.db2.gz DFDONMSIHAMWGO-HIFRSBDPSA-N 0 0 347.415 3.200 10 5 EGBERN C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000596472997 459648900 /nfs/dbraw/zinc/64/89/00/459648900.db2.gz DQJIPINTKFUOLW-SCZZXKLOSA-N 0 0 330.182 3.122 10 5 EGBERN COc1ccccc1OCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000584089150 459649321 /nfs/dbraw/zinc/64/93/21/459649321.db2.gz GKFBWOMKKBHOJF-UHFFFAOYSA-N 0 0 339.351 3.064 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@H]2Nc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000596488330 459654511 /nfs/dbraw/zinc/65/45/11/459654511.db2.gz NYOVDOCKIQBCIJ-SMDDNHRTSA-N 0 0 335.795 3.200 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596501544 459657965 /nfs/dbraw/zinc/65/79/65/459657965.db2.gz IWZRINBJWDIJCG-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCC2(CC2(F)F)CC1 ZINC000596503621 459659241 /nfs/dbraw/zinc/65/92/41/459659241.db2.gz VKYSQARGDVODFR-UHFFFAOYSA-N 0 0 325.315 3.074 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1c(C2CCC2)cnn1C ZINC000596503938 459660154 /nfs/dbraw/zinc/66/01/54/459660154.db2.gz SVWBSCYKVWGCOT-UHFFFAOYSA-N 0 0 330.388 3.354 10 5 EGBERN CCOc1cc(C(=O)NC[C@H](C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000592670871 459660255 /nfs/dbraw/zinc/66/02/55/459660255.db2.gz CKQOOJDRXGZSKI-SECBINFHSA-N 0 0 346.330 3.023 10 5 EGBERN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592672953 459660776 /nfs/dbraw/zinc/66/07/76/459660776.db2.gz QTPBFERKAKUBCC-UWVGGRQHSA-N 0 0 332.372 3.483 10 5 EGBERN C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000592679828 459663094 /nfs/dbraw/zinc/66/30/94/459663094.db2.gz BVANRDAMSPNIOI-SFHVURJKSA-N 0 0 343.358 3.366 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)CCC(F)(F)CC2)c2ccncc21 ZINC000596533426 459668984 /nfs/dbraw/zinc/66/89/84/459668984.db2.gz AEIPDKUEORIJEB-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592697073 459669856 /nfs/dbraw/zinc/66/98/56/459669856.db2.gz MTDWNYOAWBGVQQ-BJHJDKERSA-N 0 0 340.807 3.253 10 5 EGBERN Cc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CCC2)cc1 ZINC000592737259 459680812 /nfs/dbraw/zinc/68/08/12/459680812.db2.gz UPLSYCUTMOJVND-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000596572012 459681142 /nfs/dbraw/zinc/68/11/42/459681142.db2.gz IZBLLLSCXHOGRU-BJOHPYRUSA-N 0 0 328.315 3.046 10 5 EGBERN Cc1ccn([C@H](C)Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)n1 ZINC000596582212 459684405 /nfs/dbraw/zinc/68/44/05/459684405.db2.gz DCFYVNWJITXWKQ-GFCCVEGCSA-N 0 0 327.344 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)CC(F)F)c1 ZINC000592825637 459699403 /nfs/dbraw/zinc/69/94/03/459699403.db2.gz CPSMPGPNOBSOSY-NSHDSACASA-N 0 0 330.331 3.080 10 5 EGBERN Cc1nc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)[nH]c1C ZINC000596621727 459701765 /nfs/dbraw/zinc/70/17/65/459701765.db2.gz QIAQBNNOZNRSTP-SSDOTTSWSA-N 0 0 331.307 3.276 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000596638380 459709442 /nfs/dbraw/zinc/70/94/42/459709442.db2.gz UFXPYKUDJBPODA-ZDUSSCGKSA-N 0 0 333.388 3.469 10 5 EGBERN COc1cccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000592901202 459717185 /nfs/dbraw/zinc/71/71/85/459717185.db2.gz KABQDGYUUCSURN-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000593014152 459739719 /nfs/dbraw/zinc/73/97/19/459739719.db2.gz UWWZTMZODDQACY-UHFFFAOYSA-N 0 0 342.399 3.308 10 5 EGBERN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000593022150 459743799 /nfs/dbraw/zinc/74/37/99/459743799.db2.gz CAJFGRQONJBKRQ-CQSZACIVSA-N 0 0 347.371 3.227 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2C(F)F)c1 ZINC000593028111 459745991 /nfs/dbraw/zinc/74/59/91/459745991.db2.gz CKUIPZDFQYNLGY-CYBMUJFWSA-N 0 0 328.315 3.001 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000593039287 459750903 /nfs/dbraw/zinc/75/09/03/459750903.db2.gz PQVWMMMGQGKRNP-ZAQWFSBCSA-N 0 0 332.375 3.314 10 5 EGBERN O=[N+]([O-])c1ccn(CCN2CCc3oc(-c4ccccc4)cc3C2)n1 ZINC000593049591 459754292 /nfs/dbraw/zinc/75/42/92/459754292.db2.gz FGVZGRGEQAUFHM-UHFFFAOYSA-N 0 0 338.367 3.110 10 5 EGBERN Cc1ccncc1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000596788765 459763006 /nfs/dbraw/zinc/76/30/06/459763006.db2.gz WWTGSKBGDTYJBI-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593080439 459766825 /nfs/dbraw/zinc/76/68/25/459766825.db2.gz IJRBXNKRLXHTPL-NEPJUHHUSA-N 0 0 334.294 3.130 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000596826135 459772109 /nfs/dbraw/zinc/77/21/09/459772109.db2.gz KZTPXCVLFLDXAE-OAHLLOKOSA-N 0 0 339.342 3.314 10 5 EGBERN COc1ccnc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1F ZINC000596837950 459775571 /nfs/dbraw/zinc/77/55/71/459775571.db2.gz ZGBGGWGJSQFIRO-UHFFFAOYSA-N 0 0 348.334 3.076 10 5 EGBERN COC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000596841720 459776222 /nfs/dbraw/zinc/77/62/22/459776222.db2.gz KKGUVXHBMQLCCF-NSHDSACASA-N 0 0 342.342 3.367 10 5 EGBERN C[C@@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596843399 459777207 /nfs/dbraw/zinc/77/72/07/459777207.db2.gz UBAOXXQSBCWHMZ-IAQYHMDHSA-N 0 0 348.399 3.140 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596892075 459788972 /nfs/dbraw/zinc/78/89/72/459788972.db2.gz ZMLLGVNMDKAGRZ-LBPRGKRZSA-N 0 0 349.387 3.169 10 5 EGBERN CC(C)(C)n1cc(-c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)cn1 ZINC000593298600 459833664 /nfs/dbraw/zinc/83/36/64/459833664.db2.gz WOJHWUQKPFVGIY-UHFFFAOYSA-N 0 0 345.334 3.326 10 5 EGBERN Nc1c(NC(=O)N2CCC[C@@H](CCF)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091028 459835667 /nfs/dbraw/zinc/83/56/67/459835667.db2.gz AXXOWOJHVFSQOB-VIFPVBQESA-N 0 0 344.774 3.434 10 5 EGBERN CC[C@]1(C)CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597103924 459837594 /nfs/dbraw/zinc/83/75/94/459837594.db2.gz MYAKIWPWTOCWEA-CQSZACIVSA-N 0 0 326.784 3.484 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C)S1 ZINC000597101437 459837601 /nfs/dbraw/zinc/83/76/01/459837601.db2.gz IXWACZGOGPEZAK-OCAPTIKFSA-N 0 0 344.824 3.188 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)c1ccccc1 ZINC000585740295 459838770 /nfs/dbraw/zinc/83/87/70/459838770.db2.gz SDTSEBAWIOTYSH-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN Nc1c(C(=O)N(Cc2ccccc2F)CC2CC2)cccc1[N+](=O)[O-] ZINC000598252560 459841452 /nfs/dbraw/zinc/84/14/52/459841452.db2.gz VRDGLJKNVHWRFI-UHFFFAOYSA-N 0 0 343.358 3.369 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000598309449 459859853 /nfs/dbraw/zinc/85/98/53/459859853.db2.gz WYSRYKIZONHQPO-JSGCOSHPSA-N 0 0 338.429 3.386 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000593358840 459861420 /nfs/dbraw/zinc/86/14/20/459861420.db2.gz PFRKXRJBQUYIGC-ZDUSSCGKSA-N 0 0 336.388 3.096 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593359444 459861479 /nfs/dbraw/zinc/86/14/79/459861479.db2.gz OYECROVYOJTROP-OAHLLOKOSA-N 0 0 337.326 3.040 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000593369653 459868864 /nfs/dbraw/zinc/86/88/64/459868864.db2.gz FCLQQQKIJRUJAF-VBNZEHGJSA-N 0 0 337.420 3.142 10 5 EGBERN O=C(NCC1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598340528 459872096 /nfs/dbraw/zinc/87/20/96/459872096.db2.gz KMDWZFBWRGPDSW-UHFFFAOYSA-N 0 0 334.397 3.090 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598352880 459876107 /nfs/dbraw/zinc/87/61/07/459876107.db2.gz RUXJTOCZIXIPLI-DLBZAZTESA-N 0 0 328.368 3.083 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000598365381 459879729 /nfs/dbraw/zinc/87/97/29/459879729.db2.gz WBHQMCOUHUBOOI-UHFFFAOYSA-N 0 0 344.342 3.264 10 5 EGBERN CC[C@@H](NC(=O)N1CC(COC)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602269087 459880283 /nfs/dbraw/zinc/88/02/83/459880283.db2.gz CDMYEMGMCQNOLU-MRXNPFEDSA-N 0 0 347.415 3.114 10 5 EGBERN Cc1ccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245534 459894304 /nfs/dbraw/zinc/89/43/04/459894304.db2.gz ZOKPXEPHKWWUQM-DGCLKSJQSA-N 0 0 332.322 3.445 10 5 EGBERN CCc1cccc2c1OCC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587780390 459895405 /nfs/dbraw/zinc/89/54/05/459895405.db2.gz MACFXILAXCKHEZ-MRXNPFEDSA-N 0 0 343.383 3.167 10 5 EGBERN C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC[C@@H]1C ZINC000593462696 459896818 /nfs/dbraw/zinc/89/68/18/459896818.db2.gz ZDPYOQISJYSYFK-STQMWFEESA-N 0 0 342.399 3.344 10 5 EGBERN Cc1ccc(C[C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587974026 459897079 /nfs/dbraw/zinc/89/70/79/459897079.db2.gz NGYXOEVECHVIGV-ZDUSSCGKSA-N 0 0 329.400 3.329 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000587985492 459897912 /nfs/dbraw/zinc/89/79/12/459897912.db2.gz KQENEGUFDCNQNZ-KDOFPFPSSA-N 0 0 341.367 3.227 10 5 EGBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Sc1ccccc1 ZINC000587987160 459898008 /nfs/dbraw/zinc/89/80/08/459898008.db2.gz WWIBINJUCYHLAF-NSHDSACASA-N 0 0 333.413 3.262 10 5 EGBERN Cc1ccc(C(C)(C)CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587986901 459898248 /nfs/dbraw/zinc/89/82/48/459898248.db2.gz XMKZHCKLFGWIJK-UHFFFAOYSA-N 0 0 343.427 3.392 10 5 EGBERN CCc1nn(C)c(OC)c1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593468650 459899118 /nfs/dbraw/zinc/89/91/18/459899118.db2.gz HAYWZIDJDKZCEU-UHFFFAOYSA-N 0 0 341.371 3.060 10 5 EGBERN CCOC(=O)CCC1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000588004784 459901164 /nfs/dbraw/zinc/90/11/64/459901164.db2.gz FHVJKLFSCWREGN-UHFFFAOYSA-N 0 0 348.399 3.357 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCOC1(C)C ZINC000598453004 459902370 /nfs/dbraw/zinc/90/23/70/459902370.db2.gz CVIFQIFAFSRJDB-SNVBAGLBSA-N 0 0 326.780 3.102 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000598456080 459902456 /nfs/dbraw/zinc/90/24/56/459902456.db2.gz HFMHVQOXARUEHQ-OWCLPIDISA-N 0 0 326.327 3.110 10 5 EGBERN CCOc1ccc(C(=O)NCC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000598465463 459903968 /nfs/dbraw/zinc/90/39/68/459903968.db2.gz NNJOJKZVDKDHRI-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN Nc1cc(N(Cc2c(F)cccc2F)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000588031268 459904193 /nfs/dbraw/zinc/90/41/93/459904193.db2.gz FRWJZCOTJQZDMB-UHFFFAOYSA-N 0 0 349.337 3.117 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598470794 459906740 /nfs/dbraw/zinc/90/67/40/459906740.db2.gz SKVQCHMYZFIRFH-HNNXBMFYSA-N 0 0 340.379 3.162 10 5 EGBERN COc1cccc(N2CCC3(CC2)C(F)(F)C3(F)F)c1[N+](=O)[O-] ZINC000593495694 459906815 /nfs/dbraw/zinc/90/68/15/459906815.db2.gz VQYSCVNPPYBHBL-UHFFFAOYSA-N 0 0 334.269 3.474 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598471556 459907471 /nfs/dbraw/zinc/90/74/71/459907471.db2.gz VDYKVCWDKJLUTJ-HNNXBMFYSA-N 0 0 340.379 3.162 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)C2(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000593508592 459909885 /nfs/dbraw/zinc/90/98/85/459909885.db2.gz SLBOHVOUMZMZRC-LBPRGKRZSA-N 0 0 348.399 3.202 10 5 EGBERN Cc1noc([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000588083668 459910516 /nfs/dbraw/zinc/91/05/16/459910516.db2.gz HYXBFWJUOUCXJT-AWEZNQCLSA-N 0 0 325.328 3.176 10 5 EGBERN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597312730 459911498 /nfs/dbraw/zinc/91/14/98/459911498.db2.gz BZKKBXIFWZKJHW-WDNDVIMCSA-N 0 0 330.384 3.011 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(CO)CCC2)nc1-c1ccccc1 ZINC000593511949 459911644 /nfs/dbraw/zinc/91/16/44/459911644.db2.gz HKQCNTUCJVLKRL-UHFFFAOYSA-N 0 0 327.384 3.043 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(CO)CCC2)c(Br)c1 ZINC000593512575 459912031 /nfs/dbraw/zinc/91/20/31/459912031.db2.gz ZCOZYCNXIWDQJP-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597314440 459912207 /nfs/dbraw/zinc/91/22/07/459912207.db2.gz ZSCHMMAUWOAYAA-XWIAVFTESA-N 0 0 344.411 3.401 10 5 EGBERN CCCCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537870 459918502 /nfs/dbraw/zinc/91/85/02/459918502.db2.gz KJNSMBWTGVZMKK-UHFFFAOYSA-N 0 0 341.433 3.113 10 5 EGBERN CC1(C)CC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598504231 459923933 /nfs/dbraw/zinc/92/39/33/459923933.db2.gz IOSKGZXSRPCWJR-UHFFFAOYSA-N 0 0 327.178 3.276 10 5 EGBERN CC[C@H](NC(=O)C[C@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000597352895 459926318 /nfs/dbraw/zinc/92/63/18/459926318.db2.gz ZFKZAKRBRFAKIZ-BBRMVZONSA-N 0 0 330.388 3.318 10 5 EGBERN COc1cccc(C(=O)N2CC(Cc3ccccc3C)C2)c1[N+](=O)[O-] ZINC000618229267 459935942 /nfs/dbraw/zinc/93/59/42/459935942.db2.gz DYQCCLNIDFHDIN-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CNc1ccc(C(=O)N2CC3CC2(c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000598554234 459936586 /nfs/dbraw/zinc/93/65/86/459936586.db2.gz JAVRDFZEXHHPSK-UHFFFAOYSA-N 0 0 337.379 3.398 10 5 EGBERN CCOC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000602441264 459938508 /nfs/dbraw/zinc/93/85/08/459938508.db2.gz WOCWJQNMDFVMBR-UHFFFAOYSA-N 0 0 347.371 3.170 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)[C@@H]1C ZINC000597406149 459941063 /nfs/dbraw/zinc/94/10/63/459941063.db2.gz AUYZBJSVTLVIRT-CHWSQXEVSA-N 0 0 341.415 3.498 10 5 EGBERN CC12CC(C1)CN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598572576 459943227 /nfs/dbraw/zinc/94/32/27/459943227.db2.gz XHJQKZOOSJWGAG-UHFFFAOYSA-N 0 0 326.805 3.351 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598576350 459947595 /nfs/dbraw/zinc/94/75/95/459947595.db2.gz LAOICVAJKBALOC-GFCCVEGCSA-N 0 0 326.352 3.411 10 5 EGBERN COc1c(C(=O)NCC(C)(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000598581812 459951072 /nfs/dbraw/zinc/95/10/72/459951072.db2.gz QQRUTHCHPUVFIE-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN COC(=O)c1ccnc(N[C@@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000598587534 459953495 /nfs/dbraw/zinc/95/34/95/459953495.db2.gz BNAKLPKWWGCCLW-CQSZACIVSA-N 0 0 327.340 3.184 10 5 EGBERN COC(=O)c1ccnc(N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000598599047 459958632 /nfs/dbraw/zinc/95/86/32/459958632.db2.gz XKORTKHIHOLVJO-QGZVFWFLSA-N 0 0 331.372 3.103 10 5 EGBERN CSCC1(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000593714564 459960430 /nfs/dbraw/zinc/96/04/30/459960430.db2.gz HMSCISKPGSNODR-UHFFFAOYSA-N 0 0 347.440 3.268 10 5 EGBERN O=C(C1CC2(C1)CCCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597473730 459966305 /nfs/dbraw/zinc/96/63/05/459966305.db2.gz DRHUDRWVODOZSF-UHFFFAOYSA-N 0 0 329.400 3.235 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1onc2c1CCCC2 ZINC000597475398 459966765 /nfs/dbraw/zinc/96/67/65/459966765.db2.gz FUWFWGJCKDRTQL-UHFFFAOYSA-N 0 0 349.774 3.088 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609547576 459979635 /nfs/dbraw/zinc/97/96/35/459979635.db2.gz UDSUDMWGGBAECF-UHFFFAOYSA-N 0 0 347.714 3.025 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000609543459 459979715 /nfs/dbraw/zinc/97/97/15/459979715.db2.gz LTTCFZBVCQZRBV-YVEFUNNKSA-N 0 0 346.408 3.115 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593771168 459980608 /nfs/dbraw/zinc/98/06/08/459980608.db2.gz WDCQOZTXNIPNBX-UHFFFAOYSA-N 0 0 332.400 3.095 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598656283 459980840 /nfs/dbraw/zinc/98/08/40/459980840.db2.gz GLEOVQXMLIEZNQ-DGCLKSJQSA-N 0 0 327.331 3.390 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677647 459989605 /nfs/dbraw/zinc/98/96/05/459989605.db2.gz QTQKBFHOBHOOTN-GXTWGEPZSA-N 0 0 336.342 3.053 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000588847035 459990871 /nfs/dbraw/zinc/99/08/71/459990871.db2.gz IUWISPSNRRMTCH-ZDUSSCGKSA-N 0 0 335.791 3.448 10 5 EGBERN COCC1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CCCCC1 ZINC000598681211 459992037 /nfs/dbraw/zinc/99/20/37/459992037.db2.gz GFEBSLLYDCEXBO-UHFFFAOYSA-N 0 0 332.360 3.075 10 5 EGBERN C[C@H](CCOCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588849932 459992230 /nfs/dbraw/zinc/99/22/30/459992230.db2.gz GBUOTMOKFDAELN-CYBMUJFWSA-N 0 0 345.399 3.077 10 5 EGBERN CCOC1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000597581605 459999164 /nfs/dbraw/zinc/99/91/64/459999164.db2.gz HJJUMSZIHLFZEE-UHFFFAOYSA-N 0 0 346.305 3.189 10 5 EGBERN CO[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000597585026 460000803 /nfs/dbraw/zinc/00/08/03/460000803.db2.gz UCSQKEMRBGJFKF-CYBMUJFWSA-N 0 0 346.305 3.045 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000588932530 460007122 /nfs/dbraw/zinc/00/71/22/460007122.db2.gz LDJRCIZAKCDZES-PXAZEXFGSA-N 0 0 346.333 3.163 10 5 EGBERN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588934024 460007879 /nfs/dbraw/zinc/00/78/79/460007879.db2.gz IEAALKRDIHIWKE-AEFFLSMTSA-N 0 0 346.333 3.262 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC(F)(F)C1 ZINC000588937983 460008507 /nfs/dbraw/zinc/00/85/07/460008507.db2.gz SZIXNEPUZHIIPZ-JTQLQIEISA-N 0 0 337.326 3.170 10 5 EGBERN CSc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000588950455 460010058 /nfs/dbraw/zinc/01/00/58/460010058.db2.gz TVZWVXPRJCDHBJ-UHFFFAOYSA-N 0 0 339.323 3.171 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000593888869 460011566 /nfs/dbraw/zinc/01/15/66/460011566.db2.gz CUXPQTIUKCKKLL-WTIISPKJSA-N 0 0 334.420 3.386 10 5 EGBERN CO[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000597640281 460014984 /nfs/dbraw/zinc/01/49/84/460014984.db2.gz XVVJIMRRNIUHEY-KRWDZBQOSA-N 0 0 334.416 3.191 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nccn2c1 ZINC000609793927 460020490 /nfs/dbraw/zinc/02/04/90/460020490.db2.gz ZWAASHJEXDTVRM-UHFFFAOYSA-N 0 0 330.731 3.077 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000597666713 460022363 /nfs/dbraw/zinc/02/23/63/460022363.db2.gz LHUZOSGGCFLGNG-HNNXBMFYSA-N 0 0 328.368 3.144 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000597665843 460022729 /nfs/dbraw/zinc/02/27/29/460022729.db2.gz GRVCIAOYIFHWKQ-ZDUSSCGKSA-N 0 0 344.367 3.110 10 5 EGBERN CC(C)(NC(=O)Cc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000597688016 460027283 /nfs/dbraw/zinc/02/72/83/460027283.db2.gz IHDOCAQAZTYYAM-UHFFFAOYSA-N 0 0 329.356 3.054 10 5 EGBERN Cc1c(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000598802991 460040449 /nfs/dbraw/zinc/04/04/49/460040449.db2.gz LJKSMDLDDBXGNQ-AWEZNQCLSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(C2CCC2)cnn1C ZINC000598803552 460042049 /nfs/dbraw/zinc/04/20/49/460042049.db2.gz QXBWKWPANSMGAL-UHFFFAOYSA-N 0 0 328.372 3.465 10 5 EGBERN Cc1cccc(COCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000598821690 460051359 /nfs/dbraw/zinc/05/13/59/460051359.db2.gz PHAVZOMFTLJOLD-UHFFFAOYSA-N 0 0 340.379 3.399 10 5 EGBERN CN(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC000594014410 460056781 /nfs/dbraw/zinc/05/67/81/460056781.db2.gz QBDAXVRIBCCAAJ-AWEZNQCLSA-N 0 0 347.758 3.268 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610087222 460061188 /nfs/dbraw/zinc/06/11/88/460061188.db2.gz UWGJVUOYANDUMS-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618581374 460072179 /nfs/dbraw/zinc/07/21/79/460072179.db2.gz RVSNVQCRNCUBAV-LLVKDONJSA-N 0 0 326.356 3.465 10 5 EGBERN CCCc1nccnc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598874992 460078549 /nfs/dbraw/zinc/07/85/49/460078549.db2.gz CQLGKJWFEZVSGD-UHFFFAOYSA-N 0 0 341.371 3.164 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000589375816 460081224 /nfs/dbraw/zinc/08/12/24/460081224.db2.gz ULUDOFBXTFBOOR-LBPRGKRZSA-N 0 0 343.330 3.393 10 5 EGBERN O=C(c1cn2ccnc2s1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598880960 460081690 /nfs/dbraw/zinc/08/16/90/460081690.db2.gz OJNZKCCVJPPFPN-UHFFFAOYSA-N 0 0 342.380 3.287 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cncc2c1CCCC2 ZINC000597869420 460087543 /nfs/dbraw/zinc/08/75/43/460087543.db2.gz HCZKADGDGUGYHF-UHFFFAOYSA-N 0 0 341.367 3.276 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594078794 460090807 /nfs/dbraw/zinc/09/08/07/460090807.db2.gz LPPHCAYMZUYHIQ-HAQNSBGRSA-N 0 0 337.376 3.071 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000589494282 460094527 /nfs/dbraw/zinc/09/45/27/460094527.db2.gz HNMRGLSVSAJMOP-MRXNPFEDSA-N 0 0 329.356 3.047 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000589495949 460096076 /nfs/dbraw/zinc/09/60/76/460096076.db2.gz MLWDPKRDQBOOJQ-OAHLLOKOSA-N 0 0 345.355 3.015 10 5 EGBERN COc1c(C)cccc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594105253 460102767 /nfs/dbraw/zinc/10/27/67/460102767.db2.gz BBSDBHOLIVJDTM-DLBZAZTESA-N 0 0 340.379 3.332 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594135926 460120584 /nfs/dbraw/zinc/12/05/84/460120584.db2.gz HRKJQQSBRXYSQZ-AWEZNQCLSA-N 0 0 336.432 3.440 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594140857 460123522 /nfs/dbraw/zinc/12/35/22/460123522.db2.gz PMEGEYHCSUXZPV-MGCOHNPYSA-N 0 0 326.780 3.324 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCCOC1 ZINC000599004877 460124238 /nfs/dbraw/zinc/12/42/38/460124238.db2.gz UZZCGUGNESVENR-MRXNPFEDSA-N 0 0 349.431 3.033 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597951360 460124790 /nfs/dbraw/zinc/12/47/90/460124790.db2.gz IRVQGKSBBNQQKJ-JTQLQIEISA-N 0 0 331.372 3.403 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000597952924 460125334 /nfs/dbraw/zinc/12/53/34/460125334.db2.gz XZIVQIBMOPCKBU-LBPRGKRZSA-N 0 0 345.403 3.038 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1F ZINC000589679237 460125926 /nfs/dbraw/zinc/12/59/26/460125926.db2.gz HQVPUMMLHPYNGH-XHDPSFHLSA-N 0 0 348.378 3.008 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164757 460135189 /nfs/dbraw/zinc/13/51/89/460135189.db2.gz LMLDSIVWFWEWIF-YPMHNXCESA-N 0 0 346.305 3.133 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)C1 ZINC000597981484 460135794 /nfs/dbraw/zinc/13/57/94/460135794.db2.gz YNBBYIRNHPQKBN-ITGUQSILSA-N 0 0 348.399 3.168 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3ncnc4ccccc43)c2c1 ZINC000576425724 460139281 /nfs/dbraw/zinc/13/92/81/460139281.db2.gz LIVBFVKPGDVZDH-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN CSc1cccc(C(=O)Nc2cnn(C)c2C(F)F)c1[N+](=O)[O-] ZINC000614447207 460142449 /nfs/dbraw/zinc/14/24/49/460142449.db2.gz VBWSXBTYSNFEFB-UHFFFAOYSA-N 0 0 342.327 3.240 10 5 EGBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000599056313 460143946 /nfs/dbraw/zinc/14/39/46/460143946.db2.gz WRWSKPUJIKVMDP-RNCFNFMXSA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000599059191 460145691 /nfs/dbraw/zinc/14/56/91/460145691.db2.gz OQTYVXRTAGCODV-LSDHHAIUSA-N 0 0 327.384 3.396 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000598038200 460152074 /nfs/dbraw/zinc/15/20/74/460152074.db2.gz AJBOJJYGASPLSY-AWEZNQCLSA-N 0 0 343.339 3.046 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000598042766 460153089 /nfs/dbraw/zinc/15/30/89/460153089.db2.gz XXXIGVTVIYPNFP-HNNXBMFYSA-N 0 0 327.340 3.340 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@@H]1SC ZINC000599095480 460159714 /nfs/dbraw/zinc/15/97/14/460159714.db2.gz WGBGMDUENAAXTA-FMKPAKJESA-N 0 0 333.413 3.464 10 5 EGBERN COC(=O)c1c(Cl)c(NCC(F)(F)C(F)F)ccc1[N+](=O)[O-] ZINC000599112994 460164019 /nfs/dbraw/zinc/16/40/19/460164019.db2.gz VDRWWAIFLIOWBJ-UHFFFAOYSA-N 0 0 344.648 3.347 10 5 EGBERN CC(=O)c1ccc(NC[C@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599117770 460165424 /nfs/dbraw/zinc/16/54/24/460165424.db2.gz QJBQLAUPWRYOFK-ZDUSSCGKSA-N 0 0 342.277 3.209 10 5 EGBERN Cc1cccc2c1C[C@@H](Nc1ncnc3sc([N+](=O)[O-])cc31)CO2 ZINC000599122520 460167270 /nfs/dbraw/zinc/16/72/70/460167270.db2.gz HJYYFJDXJGLCHG-SNVBAGLBSA-N 0 0 342.380 3.324 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594242233 460167565 /nfs/dbraw/zinc/16/75/65/460167565.db2.gz NIXBKWFRLGSBEV-GDBMZVCRSA-N 0 0 335.404 3.050 10 5 EGBERN NC(=O)c1cc(N[C@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000599139334 460172416 /nfs/dbraw/zinc/17/24/16/460172416.db2.gz KJMLNZJQXZOCKV-INIZCTEOSA-N 0 0 326.356 3.042 10 5 EGBERN NC(=O)c1cc(N[C@@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000599139335 460172676 /nfs/dbraw/zinc/17/26/76/460172676.db2.gz KJMLNZJQXZOCKV-MRXNPFEDSA-N 0 0 326.356 3.042 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000610525883 460175656 /nfs/dbraw/zinc/17/56/56/460175656.db2.gz DECOHPPUXOECCO-MRXNPFEDSA-N 0 0 340.383 3.445 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ccncc2)c1 ZINC000610526349 460176857 /nfs/dbraw/zinc/17/68/57/460176857.db2.gz KZEPMVZPEJUAGV-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC(Cc2ccco2)C1 ZINC000599151848 460179044 /nfs/dbraw/zinc/17/90/44/460179044.db2.gz NQVYNQDTBNOBJX-UHFFFAOYSA-N 0 0 338.161 3.024 10 5 EGBERN CCOc1ncccc1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000610556105 460182759 /nfs/dbraw/zinc/18/27/59/460182759.db2.gz DLAFRIXQMQHYSF-HNNXBMFYSA-N 0 0 329.356 3.270 10 5 EGBERN CCO[C@@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000599165933 460182912 /nfs/dbraw/zinc/18/29/12/460182912.db2.gz WMHPEPLQTDVEIO-OAHLLOKOSA-N 0 0 344.371 3.491 10 5 EGBERN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000614652276 460192628 /nfs/dbraw/zinc/19/26/28/460192628.db2.gz ATDLRXSSDISNKY-MRXNPFEDSA-N 0 0 332.331 3.046 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599188410 460193887 /nfs/dbraw/zinc/19/38/87/460193887.db2.gz FNDDWECAEKUYDV-IXDOHACOSA-N 0 0 342.782 3.450 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000599191370 460195028 /nfs/dbraw/zinc/19/50/28/460195028.db2.gz LNOAADKAXFBHMQ-AWEZNQCLSA-N 0 0 326.352 3.497 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000599191877 460195081 /nfs/dbraw/zinc/19/50/81/460195081.db2.gz LXDBAEYORAYGMU-AWEZNQCLSA-N 0 0 326.352 3.497 10 5 EGBERN COC[C@]1(C)CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000599202993 460198610 /nfs/dbraw/zinc/19/86/10/460198610.db2.gz SZUMSNSNQZRKQK-KRWDZBQOSA-N 0 0 338.404 3.014 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)O1 ZINC000598210358 460205117 /nfs/dbraw/zinc/20/51/17/460205117.db2.gz BDZSAQLFQZVMAW-GWCFXTLKSA-N 0 0 334.397 3.497 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H]2CCC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000598218167 460208456 /nfs/dbraw/zinc/20/84/56/460208456.db2.gz ZWHFUASNJFAWKK-GXTWGEPZSA-N 0 0 336.388 3.069 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCCCO1 ZINC000594410277 460209331 /nfs/dbraw/zinc/20/93/31/460209331.db2.gz IVIIBGYZQBQWKH-IUODEOHRSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598219374 460209743 /nfs/dbraw/zinc/20/97/43/460209743.db2.gz IZJPNXMRZOHLNB-AWEZNQCLSA-N 0 0 349.406 3.407 10 5 EGBERN CNc1ccc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594414509 460211458 /nfs/dbraw/zinc/21/14/58/460211458.db2.gz IPVCUXVLJRUPHD-ZDUSSCGKSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@@H]2CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000594416898 460212191 /nfs/dbraw/zinc/21/21/91/460212191.db2.gz HEWYQVIZNCMHMN-MRXNPFEDSA-N 0 0 348.447 3.370 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000610709440 460221733 /nfs/dbraw/zinc/22/17/33/460221733.db2.gz NOPMKJXCKYGUDH-JTQLQIEISA-N 0 0 338.772 3.482 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC(CC(F)(F)F)C1 ZINC000610744833 460229820 /nfs/dbraw/zinc/22/98/20/460229820.db2.gz JLGAUFDULACRLG-UHFFFAOYSA-N 0 0 327.262 3.101 10 5 EGBERN COc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nc1 ZINC000610890360 460256863 /nfs/dbraw/zinc/25/68/63/460256863.db2.gz KUJYAPILLZDAJU-UHFFFAOYSA-N 0 0 342.380 3.156 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000599528823 460268446 /nfs/dbraw/zinc/26/84/46/460268446.db2.gz HNGDPIAUENFBON-QUCGXOGASA-N 0 0 330.431 3.023 10 5 EGBERN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000599599909 460285590 /nfs/dbraw/zinc/28/55/90/460285590.db2.gz HXFMXNNIHBDLJA-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000615203155 460292272 /nfs/dbraw/zinc/29/22/72/460292272.db2.gz CWULJRXOBYUFDK-WDEREUQCSA-N 0 0 326.780 3.102 10 5 EGBERN COC(=O)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671626 460303968 /nfs/dbraw/zinc/30/39/68/460303968.db2.gz ZSAMNZAEPKYWHQ-SCLBCKFNSA-N 0 0 340.379 3.428 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)CO2 ZINC000599702489 460316337 /nfs/dbraw/zinc/31/63/37/460316337.db2.gz QQBHMDRGNWXPCV-CYBMUJFWSA-N 0 0 341.367 3.337 10 5 EGBERN C/C=C\CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599785292 460333580 /nfs/dbraw/zinc/33/35/80/460333580.db2.gz NOYBSADIUQBXSK-ARJAWSKDSA-N 0 0 328.166 3.363 10 5 EGBERN CN(CC1(C)COC1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599787888 460334571 /nfs/dbraw/zinc/33/45/71/460334571.db2.gz XLKCTKDKZQZZNY-UHFFFAOYSA-N 0 0 335.404 3.393 10 5 EGBERN CC[C@H](C[C@@H](C)CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829306 460343435 /nfs/dbraw/zinc/34/34/35/460343435.db2.gz BRXRCIAAHWYVID-VXGBXAGGSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1F ZINC000599833862 460344607 /nfs/dbraw/zinc/34/46/07/460344607.db2.gz ZECBQYNZCWPSHO-GWCFXTLKSA-N 0 0 332.335 3.355 10 5 EGBERN CCN(CCSC)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833763 460344610 /nfs/dbraw/zinc/34/46/10/460344610.db2.gz ABSYWHOACMSGHS-UHFFFAOYSA-N 0 0 334.401 3.360 10 5 EGBERN O=C(NC[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834840 460344941 /nfs/dbraw/zinc/34/49/41/460344941.db2.gz JERVVCAROMGLBE-SNVBAGLBSA-N 0 0 332.385 3.018 10 5 EGBERN COC[C@]1(C)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599838044 460346109 /nfs/dbraw/zinc/34/61/09/460346109.db2.gz IJOKXUTXEDUICR-QGZVFWFLSA-N 0 0 344.371 3.033 10 5 EGBERN CO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)CC(C)C ZINC000599837972 460346281 /nfs/dbraw/zinc/34/62/81/460346281.db2.gz HIAKIFXMGYGTTE-GFCCVEGCSA-N 0 0 346.387 3.326 10 5 EGBERN O=C(NCCC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839824 460346344 /nfs/dbraw/zinc/34/63/44/460346344.db2.gz PZIVIVZPAKDXKX-LBPRGKRZSA-N 0 0 344.371 3.081 10 5 EGBERN CC(C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000619422117 460351393 /nfs/dbraw/zinc/35/13/93/460351393.db2.gz YAGHZHNMQKGWLB-UHFFFAOYSA-N 0 0 336.722 3.177 10 5 EGBERN CCc1cc(=NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]o1 ZINC000611480342 460374123 /nfs/dbraw/zinc/37/41/23/460374123.db2.gz QZIQINGTCZMVAC-UHFFFAOYSA-N 0 0 330.369 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCCO2)nc1-c1ccc(F)cc1 ZINC000619527008 460374827 /nfs/dbraw/zinc/37/48/27/460374827.db2.gz OINWTXHAFQEWEQ-CQSZACIVSA-N 0 0 331.347 3.199 10 5 EGBERN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000604119769 460381365 /nfs/dbraw/zinc/38/13/65/460381365.db2.gz LOHLQGJUCYDSSI-UHFFFAOYSA-N 0 0 334.397 3.336 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1F ZINC000611517642 460385560 /nfs/dbraw/zinc/38/55/60/460385560.db2.gz ZUFIJQQKTGMCOL-LDYMZIIASA-N 0 0 332.278 3.016 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000600111115 460385742 /nfs/dbraw/zinc/38/57/42/460385742.db2.gz DZUSYKLQKGUGKF-MRXNPFEDSA-N 0 0 346.362 3.084 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000611524956 460387555 /nfs/dbraw/zinc/38/75/55/460387555.db2.gz COYXFJZAOPHCJZ-CJNGLKHVSA-N 0 0 329.400 3.376 10 5 EGBERN COc1ccc([C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C(C)C)cc1 ZINC000611564850 460401628 /nfs/dbraw/zinc/40/16/28/460401628.db2.gz ANFYNGRABNSLFS-KRWDZBQOSA-N 0 0 345.399 3.487 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000600148329 460406261 /nfs/dbraw/zinc/40/62/61/460406261.db2.gz RTYNNRNADZOYHO-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611592983 460412789 /nfs/dbraw/zinc/41/27/89/460412789.db2.gz MPOGHVZCTIWFQZ-NSHDSACASA-N 0 0 329.303 3.139 10 5 EGBERN CC1(C)CCC[C@@H]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600160488 460414364 /nfs/dbraw/zinc/41/43/64/460414364.db2.gz SWHQTBOMHFHITC-LLVKDONJSA-N 0 0 334.372 3.270 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](c4cccs4)C3)c2c1 ZINC000611711692 460436701 /nfs/dbraw/zinc/43/67/01/460436701.db2.gz NVMCUEQHTGAEDV-CQSZACIVSA-N 0 0 342.380 3.177 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000600212676 460443399 /nfs/dbraw/zinc/44/33/99/460443399.db2.gz ZPOJMNGTUJKCSL-DZGCQCFKSA-N 0 0 340.379 3.127 10 5 EGBERN COc1cc(CN2CC(Cc3cccs3)C2)c([N+](=O)[O-])cc1OC ZINC000600214663 460444304 /nfs/dbraw/zinc/44/43/04/460444304.db2.gz DQXIZSAFTJLJPC-UHFFFAOYSA-N 0 0 348.424 3.348 10 5 EGBERN CC(C)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000600225810 460448546 /nfs/dbraw/zinc/44/85/46/460448546.db2.gz BFQMTQPVTLBFBE-UHFFFAOYSA-N 0 0 340.742 3.413 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1N1CCCC1 ZINC000604566664 460449972 /nfs/dbraw/zinc/44/99/72/460449972.db2.gz ZEUGLBNFMQPJGP-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccccn3)CC2)c1 ZINC000611762210 460454080 /nfs/dbraw/zinc/45/40/80/460454080.db2.gz YHDWFMLZMYYEDP-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000611763050 460454178 /nfs/dbraw/zinc/45/41/78/460454178.db2.gz MINGRHCIEXTQKV-ZIAGYGMSSA-N 0 0 348.399 3.024 10 5 EGBERN CSc1cccc(C(=O)N2CC(Cc3ccco3)C2)c1[N+](=O)[O-] ZINC000600370653 460485755 /nfs/dbraw/zinc/48/57/55/460485755.db2.gz SKBPJUXQCKLDPS-UHFFFAOYSA-N 0 0 332.381 3.224 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000600379197 460487115 /nfs/dbraw/zinc/48/71/15/460487115.db2.gz BPZYUSCHIGQEMA-KOMQPUFPSA-N 0 0 349.431 3.402 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000600443939 460496868 /nfs/dbraw/zinc/49/68/68/460496868.db2.gz WUBPCJOLXCELCX-CBAJHEILSA-N 0 0 334.416 3.092 10 5 EGBERN CC(C)(C)c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000600514789 460509618 /nfs/dbraw/zinc/50/96/18/460509618.db2.gz NYLDIUBHUUYXHQ-UHFFFAOYSA-N 0 0 338.364 3.125 10 5 EGBERN CCCn1c(C)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600530426 460513166 /nfs/dbraw/zinc/51/31/66/460513166.db2.gz AZMQOJVBUPFYGT-UHFFFAOYSA-N 0 0 338.364 3.019 10 5 EGBERN Cc1c(Br)c(N[C@@H](C)c2cnccn2)ncc1[N+](=O)[O-] ZINC000601192275 460746417 /nfs/dbraw/zinc/74/64/17/460746417.db2.gz TWXHPXSMQPZVAK-QMMMGPOBSA-N 0 0 338.165 3.024 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601195069 460747503 /nfs/dbraw/zinc/74/75/03/460747503.db2.gz CANSYFWJEMYBEO-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)s1 ZINC000601208781 460750924 /nfs/dbraw/zinc/75/09/24/460750924.db2.gz KSGXKYFTCZZLIM-VIFPVBQESA-N 0 0 333.291 3.216 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC(CCF)CC1 ZINC000601217931 460754906 /nfs/dbraw/zinc/75/49/06/460754906.db2.gz PNRBVPNQIDODFU-UHFFFAOYSA-N 0 0 332.173 3.328 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601253334 460766752 /nfs/dbraw/zinc/76/67/52/460766752.db2.gz LVGHKUDWQYIZQA-CQSZACIVSA-N 0 0 326.356 3.401 10 5 EGBERN Cc1ccnc(N2CC[C@@H](c3ccc4cccnc4n3)C2)c1[N+](=O)[O-] ZINC000601256429 460767098 /nfs/dbraw/zinc/76/70/98/460767098.db2.gz QVWMAULTBZWMOB-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN Cc1cc(N2CC[C@H](c3ccc4cccnc4n3)C2)ncc1[N+](=O)[O-] ZINC000601256317 460767110 /nfs/dbraw/zinc/76/71/10/460767110.db2.gz OLTYEPYTUKZRIY-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)c2cc(C)ccc2C)c([N+](=O)[O-])s1 ZINC000601313710 460785444 /nfs/dbraw/zinc/78/54/44/460785444.db2.gz USFOFGPDHAXQNQ-UHFFFAOYSA-N 0 0 340.426 3.407 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3Cc4ccc(Cl)cc43)n2)n1C ZINC000601375061 460797934 /nfs/dbraw/zinc/79/79/34/460797934.db2.gz PTWMFLBOLTWHJO-NSHDSACASA-N 0 0 345.746 3.028 10 5 EGBERN CN(C)c1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601423498 460809826 /nfs/dbraw/zinc/80/98/26/460809826.db2.gz ZMRRVMVEAORDDH-UHFFFAOYSA-N 0 0 340.383 3.116 10 5 EGBERN C[C@@H](CO)N(CC1CCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601472580 460818791 /nfs/dbraw/zinc/81/87/91/460818791.db2.gz XPQVXFXCTYKOKO-AWEZNQCLSA-N 0 0 346.427 3.026 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000617349978 460825692 /nfs/dbraw/zinc/82/56/92/460825692.db2.gz MIGOQTPUHLHDAA-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000617380246 460837584 /nfs/dbraw/zinc/83/75/84/460837584.db2.gz BXJZWRMECWINNV-CQSZACIVSA-N 0 0 346.362 3.318 10 5 EGBERN CCc1nc(C)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC000601607156 460845374 /nfs/dbraw/zinc/84/53/74/460845374.db2.gz ZRZHZHQMQYOIFT-UHFFFAOYSA-N 0 0 343.383 3.192 10 5 EGBERN CN1CCC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000601622702 460848883 /nfs/dbraw/zinc/84/88/83/460848883.db2.gz XROPRMTXYQNENA-AWEZNQCLSA-N 0 0 343.358 3.435 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1ccncc1 ZINC000613185480 460856615 /nfs/dbraw/zinc/85/66/15/460856615.db2.gz IXFJUOMBYLHHRP-GDBMZVCRSA-N 0 0 341.411 3.478 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601659821 460860016 /nfs/dbraw/zinc/86/00/16/460860016.db2.gz OBHRWFLNCUAKQN-RHSMWYFYSA-N 0 0 339.395 3.500 10 5 EGBERN CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000601698579 460874433 /nfs/dbraw/zinc/87/44/33/460874433.db2.gz JAJUYORALSWVDW-MRXNPFEDSA-N 0 0 329.356 3.209 10 5 EGBERN Cc1cc(OCC(=O)N2CC(C)(C)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000601697973 460874514 /nfs/dbraw/zinc/87/45/14/460874514.db2.gz FUPSVHAYUZJFPO-KRWDZBQOSA-N 0 0 344.367 3.485 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC)cn1 ZINC000613234427 460877223 /nfs/dbraw/zinc/87/72/23/460877223.db2.gz QRHORDYHQIAVTL-CYBMUJFWSA-N 0 0 329.356 3.206 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC12CC2 ZINC000601706834 460879376 /nfs/dbraw/zinc/87/93/76/460879376.db2.gz WIWOTUXZROUTMN-CQSZACIVSA-N 0 0 338.791 3.466 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccnn1CC1CCC1 ZINC000601886987 460936705 /nfs/dbraw/zinc/93/67/05/460936705.db2.gz XXXYLXLPZOKWGJ-UHFFFAOYSA-N 0 0 348.790 3.426 10 5 EGBERN O=C(CNc1nc2ccccc2cc1[N+](=O)[O-])NC1CCCCC1 ZINC000473518165 467990301 /nfs/dbraw/zinc/99/03/01/467990301.db2.gz KEBMNLNGDWWTBF-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000186101785 533823706 /nfs/dbraw/zinc/82/37/06/533823706.db2.gz BTUVZOUZAAATLH-UHFFFAOYSA-N 0 0 342.277 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000185980210 534319946 /nfs/dbraw/zinc/31/99/46/534319946.db2.gz UHIMISUOIGYCRN-UHFFFAOYSA-N 0 0 329.360 3.252 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000115277549 526278444 /nfs/dbraw/zinc/27/84/44/526278444.db2.gz ANSAFCLIZZSGGU-DOMZBBRYSA-N 0 0 336.436 3.131 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000189746677 528605643 /nfs/dbraw/zinc/60/56/43/528605643.db2.gz YQVLJTKNHXHICR-UHFFFAOYSA-N 0 0 349.412 3.073 10 5 EGBERN CCn1c(SCc2ccc([N+](=O)[O-])c(OC)c2)nnc1C1CC1 ZINC000351852047 535997449 /nfs/dbraw/zinc/99/74/49/535997449.db2.gz VSNNWWOLRLSXQA-UHFFFAOYSA-N 0 0 334.401 3.385 10 5 EGBERN COc1c(C(=O)NCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000354575951 536846353 /nfs/dbraw/zinc/84/63/53/536846353.db2.gz POIKBGDYVCPNOE-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1nc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cs1 ZINC000683539101 550241305 /nfs/dbraw/zinc/24/13/05/550241305.db2.gz VPWMDJPXGMKBPQ-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN CC[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000726006474 574522026 /nfs/dbraw/zinc/52/20/26/574522026.db2.gz JINHCOOGMVXIMY-OAHLLOKOSA-N 0 0 348.355 3.315 10 5 EGBERN CC(C)Oc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000726428582 574552711 /nfs/dbraw/zinc/55/27/11/574552711.db2.gz ALWCCLQCINVJSF-UHFFFAOYSA-N 0 0 340.335 3.178 10 5 EGBERN Cc1oc(-c2ccsc2)nc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000726810056 574572347 /nfs/dbraw/zinc/57/23/47/574572347.db2.gz BRUQDPIRFMYPFU-UHFFFAOYSA-N 0 0 347.352 3.315 10 5 EGBERN CCOc1ccc(CNc2ccc([N+](=O)[O-])c3nonc32)cc1F ZINC000729986248 574901761 /nfs/dbraw/zinc/90/17/61/574901761.db2.gz IQORMFAAKUXAFU-UHFFFAOYSA-N 0 0 332.291 3.281 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000730192235 574940171 /nfs/dbraw/zinc/94/01/71/574940171.db2.gz KJUGVVYOAAABNR-HNNXBMFYSA-N 0 0 349.431 3.082 10 5 EGBERN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc(F)ccc1F ZINC000730295471 574967318 /nfs/dbraw/zinc/96/73/18/574967318.db2.gz WGBKMURYZSOMLW-VIFPVBQESA-N 0 0 335.262 3.301 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000730353782 574975538 /nfs/dbraw/zinc/97/55/38/574975538.db2.gz ZXFDCHFIXKYFBU-ZWKOTPCHSA-N 0 0 341.363 3.493 10 5 EGBERN COC(=O)c1ccc(CCC(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000731747722 575204241 /nfs/dbraw/zinc/20/42/41/575204241.db2.gz ALZZBDLQBQXWOW-UHFFFAOYSA-N 0 0 349.364 3.119 10 5 EGBERN O=C(C[C@@H]1OCCc2ccccc21)OCc1csc([N+](=O)[O-])c1 ZINC000734608880 575526653 /nfs/dbraw/zinc/52/66/53/575526653.db2.gz RSTPDNIFKMXEDO-AWEZNQCLSA-N 0 0 333.365 3.404 10 5 EGBERN CCC/C=C\C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000735218885 575617300 /nfs/dbraw/zinc/61/73/00/575617300.db2.gz UXNAOTCXXATENJ-YIEQYZEGSA-N 0 0 346.383 3.099 10 5 EGBERN COC(=O)[C@@H](CC(C)C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000735907686 575730259 /nfs/dbraw/zinc/73/02/59/575730259.db2.gz XDNHTIQKNAFPOO-GFCCVEGCSA-N 0 0 341.385 3.061 10 5 EGBERN C[C@H](OC(=O)[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000741006076 576644920 /nfs/dbraw/zinc/64/49/20/576644920.db2.gz ZOMBDBIPMUTIIP-SUMWQHHRSA-N 0 0 329.352 3.193 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ccncc3[N+](=O)[O-])CC2)c1C ZINC000742415808 576781754 /nfs/dbraw/zinc/78/17/54/576781754.db2.gz KQPWVDRZKCNXGO-UHFFFAOYSA-N 0 0 327.384 3.095 10 5 EGBERN Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479674 576810017 /nfs/dbraw/zinc/81/00/17/576810017.db2.gz LFSPASNFGYRLLI-YOEHRIQHSA-N 0 0 339.395 3.359 10 5 EGBERN C[C@H](O)c1nc2ccccc2n1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000006295010 1291040921 /nfs/dbraw/zinc/04/09/21/1291040921.db2.gz QTVHMPRDKGLTFE-OBIHZWKSSA-N 0 0 337.335 3.351 10 5 EGBERN COc1ccc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000008939580 1291106767 /nfs/dbraw/zinc/10/67/67/1291106767.db2.gz HLUUDZACFPMODR-CMDGGOBGSA-N 0 0 337.328 3.187 10 5 EGBERN CCn1ccnc1/C=C/C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000095469047 1292945449 /nfs/dbraw/zinc/94/54/49/1292945449.db2.gz YTIZGGFWTFKZGX-GWJCSSMESA-N 0 0 329.356 3.437 10 5 EGBERN O=C(NCCCC1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000162815102 1294323333 /nfs/dbraw/zinc/32/33/33/1294323333.db2.gz CCXYWXFUOQTIPE-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@]12C[C@@H]1CCCC2 ZINC000870526489 1295926596 /nfs/dbraw/zinc/92/65/96/1295926596.db2.gz JSAGWMXXAPFXEL-XAYKYTGQSA-N 0 0 342.399 3.030 10 5 EGBERN CC(=O)N1CC[C@@H](OC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000870562201 1295941318 /nfs/dbraw/zinc/94/13/18/1295941318.db2.gz FETAABPCLCNKLZ-CQSZACIVSA-N 0 0 346.364 3.311 10 5 EGBERN Cc1cccc(C(=O)OCc2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000870608515 1295974208 /nfs/dbraw/zinc/97/42/08/1295974208.db2.gz OAEZXBANYUIOOE-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc2c(s1)CCCC2 ZINC000870826977 1296104461 /nfs/dbraw/zinc/10/44/61/1296104461.db2.gz RGYDHUKWILGSEE-UHFFFAOYSA-N 0 0 347.396 3.292 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc2c1CCCC2 ZINC000870828544 1296106034 /nfs/dbraw/zinc/10/60/34/1296106034.db2.gz RJVDVEATBZSWNP-UHFFFAOYSA-N 0 0 341.367 3.231 10 5 EGBERN CC(C)(C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870830346 1296107515 /nfs/dbraw/zinc/10/75/15/1296107515.db2.gz ZNXZPLRRSFBNKJ-UHFFFAOYSA-N 0 0 347.346 3.155 10 5 EGBERN O=C(NCC1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000871045528 1296194961 /nfs/dbraw/zinc/19/49/61/1296194961.db2.gz PKGOZGNEYUYYHS-HNNXBMFYSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871294895 1296324728 /nfs/dbraw/zinc/32/47/28/1296324728.db2.gz WGSFDBPEALSPNL-BBRMVZONSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000871299824 1296330411 /nfs/dbraw/zinc/33/04/11/1296330411.db2.gz BDIJEWCSIVPNGI-YVEFUNNKSA-N 0 0 343.383 3.011 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(F)c1F ZINC000871677456 1296476195 /nfs/dbraw/zinc/47/61/95/1296476195.db2.gz LBZJWHYHAUQLQD-FXQIFTODSA-N 0 0 335.253 3.488 10 5 EGBERN COc1cccc(/C(C)=C\C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000255270307 1296513504 /nfs/dbraw/zinc/51/35/04/1296513504.db2.gz WFRWUEYPKTVONP-LUAWRHEFSA-N 0 0 327.340 3.349 10 5 EGBERN CCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000302303946 1296800968 /nfs/dbraw/zinc/80/09/68/1296800968.db2.gz HOKPTGWKQYSJNV-QMMMGPOBSA-N 0 0 330.182 3.013 10 5 EGBERN O=C(OC1CCSCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000873557370 1297581493 /nfs/dbraw/zinc/58/14/93/1297581493.db2.gz OJXPCIGFDZVZGR-UHFFFAOYSA-N 0 0 333.312 3.249 10 5 EGBERN CC(C)(C)[C@H]1C[C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000873572513 1297596938 /nfs/dbraw/zinc/59/69/38/1297596938.db2.gz WHNGRVBRMSNFJZ-ZIAGYGMSSA-N 0 0 325.336 3.484 10 5 EGBERN COc1ccc(CC(=O)O[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873579364 1297605159 /nfs/dbraw/zinc/60/51/59/1297605159.db2.gz BDSURJWQADTVAX-CQSZACIVSA-N 0 0 349.383 3.181 10 5 EGBERN C[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000874473155 1297907365 /nfs/dbraw/zinc/90/73/65/1297907365.db2.gz AYAUXMRPTCHLHP-GUTXKFCHSA-N 0 0 342.317 3.499 10 5 EGBERN Cc1cc(NCc2cn(C)nc2[N+](=O)[O-])cc(C)c1Br ZINC000877475859 1299327988 /nfs/dbraw/zinc/32/79/88/1299327988.db2.gz OTUKLMNKSJGKSO-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN C/C(=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000881864334 1301744998 /nfs/dbraw/zinc/74/49/98/1301744998.db2.gz OVDBZVUSECSSER-TWGQIWQCSA-N 0 0 339.189 3.330 10 5 EGBERN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864926 1301745101 /nfs/dbraw/zinc/74/51/01/1301745101.db2.gz GDYUDUIJJADBDQ-LDYMZIIASA-N 0 0 327.178 3.020 10 5 EGBERN CC(=O)c1c(N[C@H](C)Cc2c(C)nn(C)c2C)cccc1[N+](=O)[O-] ZINC000882018864 1301788168 /nfs/dbraw/zinc/78/81/68/1301788168.db2.gz FCGXQGZTZJAKCE-SNVBAGLBSA-N 0 0 330.388 3.191 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000882110343 1301832596 /nfs/dbraw/zinc/83/25/96/1301832596.db2.gz JIFZQJQOFONVDO-WBMJQRKESA-N 0 0 336.413 3.264 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000882595367 1302031123 /nfs/dbraw/zinc/03/11/23/1302031123.db2.gz NCUMTFTZSWLLCV-ZBFHGGJFSA-N 0 0 338.791 3.388 10 5 EGBERN C[C@H](C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1F ZINC000882603284 1302032511 /nfs/dbraw/zinc/03/25/11/1302032511.db2.gz QCOZLYUGEPEVFN-CXMBCZLWSA-N 0 0 336.363 3.055 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000882638817 1302042463 /nfs/dbraw/zinc/04/24/63/1302042463.db2.gz HBIDFLHMYKJJBW-KOLCDFICSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@](O)(c2ccccc2)C1 ZINC000882651077 1302046769 /nfs/dbraw/zinc/04/67/69/1302046769.db2.gz AERVGXVKNVXRSU-LJQANCHMSA-N 0 0 340.379 3.285 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000885999296 1303313443 /nfs/dbraw/zinc/31/34/43/1303313443.db2.gz RNLIWNQDIUCSRV-PSLIRLAXSA-N 0 0 326.299 3.116 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)c1c(Br)cncc1[N+](=O)[O-] ZINC000952883615 1334587414 /nfs/dbraw/zinc/58/74/14/1334587414.db2.gz XXAQSKKEJIEJAM-WCBMZHEXSA-N 0 0 342.193 3.061 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887482838 1303814563 /nfs/dbraw/zinc/81/45/63/1303814563.db2.gz YDUYPTNBWDFKSP-YWXYRXPLSA-N 0 0 330.384 3.072 10 5 EGBERN C/C(=C\C(=O)NC1CC2(C1)CO[C@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000888723680 1304252834 /nfs/dbraw/zinc/25/28/34/1304252834.db2.gz NSICSELIDCRJEV-DNJRESQDSA-N 0 0 330.384 3.072 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000891185568 1304980312 /nfs/dbraw/zinc/98/03/12/1304980312.db2.gz UEVAYDQVJNTKDH-UYSHUYCFSA-N 0 0 332.425 3.210 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CC2(C)C)cc1OC ZINC000893379007 1305859928 /nfs/dbraw/zinc/85/99/28/1305859928.db2.gz OUYZOVORLSRGGN-QGZVFWFLSA-N 0 0 336.388 3.168 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000893495934 1305928152 /nfs/dbraw/zinc/92/81/52/1305928152.db2.gz WELQSHYUKRAOCJ-DZGCQCFKSA-N 0 0 337.372 3.211 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000893523763 1305949754 /nfs/dbraw/zinc/94/97/54/1305949754.db2.gz MSVXULRFMGRMGN-HZMBPMFUSA-N 0 0 333.319 3.031 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nccs2)C1 ZINC000893527786 1305951105 /nfs/dbraw/zinc/95/11/05/1305951105.db2.gz HAEXWWMTRYSHJH-RJNRQISESA-N 0 0 329.381 3.081 10 5 EGBERN CC1=C(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000893619093 1305989908 /nfs/dbraw/zinc/98/99/08/1305989908.db2.gz NDDMBEIWTFHZGI-UHFFFAOYSA-N 0 0 339.189 3.474 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)OCCc2ccccc21 ZINC000893809564 1306081636 /nfs/dbraw/zinc/08/16/36/1306081636.db2.gz XHPATLNTFTUUOK-LJQANCHMSA-N 0 0 340.379 3.121 10 5 EGBERN CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893862046 1306103471 /nfs/dbraw/zinc/10/34/71/1306103471.db2.gz VSUAQOQDODQPFG-GWCFXTLKSA-N 0 0 326.780 3.183 10 5 EGBERN CCSCc1cccnc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000893951729 1306143215 /nfs/dbraw/zinc/14/32/15/1306143215.db2.gz JMPVXFNKSSBARP-UHFFFAOYSA-N 0 0 332.385 3.199 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000893957377 1306146110 /nfs/dbraw/zinc/14/61/10/1306146110.db2.gz DDRMCCDUDLEJTP-SJLPKXTDSA-N 0 0 328.343 3.279 10 5 EGBERN CCc1[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894193471 1306269721 /nfs/dbraw/zinc/26/97/21/1306269721.db2.gz QFPIEUISQLYAIK-NSHDSACASA-N 0 0 331.372 3.123 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000894292364 1306324405 /nfs/dbraw/zinc/32/44/05/1306324405.db2.gz GFNKUADLGHMQSX-BLLLJJGKSA-N 0 0 328.372 3.035 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894343381 1306351416 /nfs/dbraw/zinc/35/14/16/1306351416.db2.gz VKEADSMQKUSYMD-AOOOYVTPSA-N 0 0 346.330 3.049 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894383983 1306369920 /nfs/dbraw/zinc/36/99/20/1306369920.db2.gz BWAKLXVFEUOUFZ-HZMBPMFUSA-N 0 0 343.305 3.103 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386400 1306370600 /nfs/dbraw/zinc/37/06/00/1306370600.db2.gz CVEQLAGCQSYRQU-FZMZJTMJSA-N 0 0 328.290 3.399 10 5 EGBERN CC(C)Cc1coc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000894437854 1308885472 /nfs/dbraw/zinc/88/54/72/1308885472.db2.gz NCDQCIVYZFSFAP-UHFFFAOYSA-N 0 0 325.271 3.312 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000894503684 1308927604 /nfs/dbraw/zinc/92/76/04/1308927604.db2.gz LKVYSSRMMDBRCK-LBPRGKRZSA-N 0 0 340.807 3.492 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(C)CCOC2(CCC2)C1 ZINC000894665042 1309012636 /nfs/dbraw/zinc/01/26/36/1309012636.db2.gz ULOKBGBEFGOQSE-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCOC2(CCC2)C1 ZINC000894669809 1309015115 /nfs/dbraw/zinc/01/51/15/1309015115.db2.gz AEEFEOJGKIEHEO-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN CCOc1cc(C(=O)NC2(C3CC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000895366649 1309302604 /nfs/dbraw/zinc/30/26/04/1309302604.db2.gz YARVWJJTYUBEFP-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895577448 1309409569 /nfs/dbraw/zinc/40/95/69/1309409569.db2.gz KSNAFZODEBNMEJ-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895577610 1309410803 /nfs/dbraw/zinc/41/08/03/1309410803.db2.gz OJQQGDSBEKZDMQ-SDQPKGBYSA-N 0 0 330.306 3.261 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895577611 1309411117 /nfs/dbraw/zinc/41/11/17/1309411117.db2.gz OJQQGDSBEKZDMQ-YVARQFDVSA-N 0 0 330.306 3.261 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCS[C@@H](C(F)(F)F)C1 ZINC000895599701 1309423260 /nfs/dbraw/zinc/42/32/60/1309423260.db2.gz URMJBHWUHBTTCD-GFCCVEGCSA-N 0 0 334.319 3.282 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000896695935 1309976807 /nfs/dbraw/zinc/97/68/07/1309976807.db2.gz AHCXOZYLAUYHES-GLRZTSSQSA-N 0 0 340.379 3.302 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(-c2nc(C3CSC3)no2)c1 ZINC000896726843 1309990172 /nfs/dbraw/zinc/99/01/72/1309990172.db2.gz OWERKVWDHKCQJP-UHFFFAOYSA-N 0 0 342.174 3.238 10 5 EGBERN CC(=O)c1c(NCc2cnn(CC3CCC3)c2)cccc1[N+](=O)[O-] ZINC000896778850 1310009570 /nfs/dbraw/zinc/00/95/70/1310009570.db2.gz KHSNMLJLXSXUJX-UHFFFAOYSA-N 0 0 328.372 3.406 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3nccc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000897014955 1310136074 /nfs/dbraw/zinc/13/60/74/1310136074.db2.gz USFBSEXRVPCEMQ-BVIHXZOGSA-N 0 0 341.367 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C ZINC000897314887 1310286370 /nfs/dbraw/zinc/28/63/70/1310286370.db2.gz CENOHBMSGRBUSJ-DZGCQCFKSA-N 0 0 334.416 3.081 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898397357 1310712432 /nfs/dbraw/zinc/71/24/32/1310712432.db2.gz LLZXFAGZWWNNRN-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN Cc1c(OC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000857580076 1328553551 /nfs/dbraw/zinc/55/35/51/1328553551.db2.gz OEBJVZFYROEZAO-AWEZNQCLSA-N 0 0 335.356 3.177 10 5 EGBERN COc1ccc(CN(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000929293125 1328558707 /nfs/dbraw/zinc/55/87/07/1328558707.db2.gz VWRYDAGMHQZDHY-UHFFFAOYSA-N 0 0 346.358 3.334 10 5 EGBERN CN(Cc1cccnc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000929325851 1328569001 /nfs/dbraw/zinc/56/90/01/1328569001.db2.gz OKNFHFBPBJCDSR-UHFFFAOYSA-N 0 0 333.775 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1F ZINC000857680667 1328582664 /nfs/dbraw/zinc/58/26/64/1328582664.db2.gz NTRXDPUCCFOFSO-HDICACEKSA-N 0 0 348.374 3.075 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899404282 1317021215 /nfs/dbraw/zinc/02/12/15/1317021215.db2.gz KUOQAVIYXBEAES-FDRIWYBQSA-N 0 0 327.384 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000899516512 1317068283 /nfs/dbraw/zinc/06/82/83/1317068283.db2.gz AAPXQUJDOWQVKR-AWEZNQCLSA-N 0 0 340.383 3.021 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899679997 1317132451 /nfs/dbraw/zinc/13/24/51/1317132451.db2.gz KANNFOCNFNOKPB-OWBHPGMISA-N 0 0 344.411 3.200 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000858403680 1328754402 /nfs/dbraw/zinc/75/44/02/1328754402.db2.gz JDHGXVZHEHUDIP-QGZVFWFLSA-N 0 0 340.379 3.292 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930074036 1328778432 /nfs/dbraw/zinc/77/84/32/1328778432.db2.gz JGEGDNLIINBNHY-DGCLKSJQSA-N 0 0 346.305 3.053 10 5 EGBERN CCOC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000913385090 1319020385 /nfs/dbraw/zinc/02/03/85/1319020385.db2.gz PBCHZDLBXBVHQC-UHFFFAOYSA-N 0 0 344.770 3.353 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000913586748 1319064328 /nfs/dbraw/zinc/06/43/28/1319064328.db2.gz BJVYAUDRPZLUTR-SECBINFHSA-N 0 0 334.763 3.039 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[C@H]1CCCC1(F)F ZINC000914415714 1319321914 /nfs/dbraw/zinc/32/19/14/1319321914.db2.gz XFLIRJATUZYQSX-LLVKDONJSA-N 0 0 330.306 3.218 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](CF)C1 ZINC000914426077 1319323479 /nfs/dbraw/zinc/32/34/79/1319323479.db2.gz XODZRSFSKYBNLI-LLVKDONJSA-N 0 0 328.771 3.389 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000916006574 1319584640 /nfs/dbraw/zinc/58/46/40/1319584640.db2.gz GPPIEPBXHQOMDK-UHFFFAOYSA-N 0 0 336.804 3.472 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCCC(C)(F)F ZINC000917467743 1319817114 /nfs/dbraw/zinc/81/71/14/1319817114.db2.gz GGJPLSHATFPSKH-UHFFFAOYSA-N 0 0 343.355 3.369 10 5 EGBERN Cc1ccc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1Br ZINC000858797202 1328863989 /nfs/dbraw/zinc/86/39/89/1328863989.db2.gz GJBYNIWJTOCYLE-SNVBAGLBSA-N 0 0 347.184 3.231 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccns1 ZINC000858829847 1328869836 /nfs/dbraw/zinc/86/98/36/1328869836.db2.gz NHFLUZMLJREREA-NSHDSACASA-N 0 0 346.412 3.460 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000930732187 1328952342 /nfs/dbraw/zinc/95/23/42/1328952342.db2.gz BQFIPZAHVZZRNA-CMPLNLGQSA-N 0 0 347.293 3.135 10 5 EGBERN CCN(CCNC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000859532283 1329010406 /nfs/dbraw/zinc/01/04/06/1329010406.db2.gz XBORMJVMORRLIC-UHFFFAOYSA-N 0 0 329.422 3.003 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSC2(CCC2)C1 ZINC000921680344 1322377356 /nfs/dbraw/zinc/37/73/56/1322377356.db2.gz ICSWTNVITGSXKM-CQSZACIVSA-N 0 0 349.456 3.255 10 5 EGBERN C[C@@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921806665 1322401023 /nfs/dbraw/zinc/40/10/23/1322401023.db2.gz LFXMZTFXDSKTIK-ZIAGYGMSSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922178818 1322472620 /nfs/dbraw/zinc/47/26/20/1322472620.db2.gz SOOWRAMRURJWMX-AQVJISRASA-N 0 0 345.273 3.261 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000923420640 1322748619 /nfs/dbraw/zinc/74/86/19/1322748619.db2.gz OQEGCANURUBRGJ-ZDUSSCGKSA-N 0 0 349.383 3.386 10 5 EGBERN CC(C)C[C@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)n1ccnc1 ZINC000923761941 1322804646 /nfs/dbraw/zinc/80/46/46/1322804646.db2.gz XGBZZHHUZRIVPW-OAHLLOKOSA-N 0 0 341.371 3.401 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCC[C@@H]1CCOC1 ZINC000923960741 1322855759 /nfs/dbraw/zinc/85/57/59/1322855759.db2.gz DRQSXJNAJXFPRT-GFCCVEGCSA-N 0 0 325.336 3.026 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCc1cc2n(n1)CCC2 ZINC000923966556 1322858765 /nfs/dbraw/zinc/85/87/65/1322858765.db2.gz HJPWPYXRLBKHEV-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C[C@@H]1CC=CCC1 ZINC000924239289 1322948747 /nfs/dbraw/zinc/94/87/47/1322948747.db2.gz KEYYHSDKCJHOBI-CYBMUJFWSA-N 0 0 332.356 3.131 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000931257456 1329080027 /nfs/dbraw/zinc/08/00/27/1329080027.db2.gz RATCIOXMRRLYPZ-NTMALXAHSA-N 0 0 326.352 3.436 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000931261555 1329081044 /nfs/dbraw/zinc/08/10/44/1329081044.db2.gz BLKHUOZVCDHCKI-OQFOIZHKSA-N 0 0 344.279 3.482 10 5 EGBERN O=C(OCCO[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811355 1329083652 /nfs/dbraw/zinc/08/36/52/1329083652.db2.gz NOFKMPOSSYZNPL-KRWDZBQOSA-N 0 0 345.351 3.448 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860070961 1329140224 /nfs/dbraw/zinc/14/02/24/1329140224.db2.gz XNLWMHBOLKDZAK-NSHDSACASA-N 0 0 325.336 3.371 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925517388 1325186879 /nfs/dbraw/zinc/18/68/79/1325186879.db2.gz GJKIXOLLRACYFY-UKRRQHHQSA-N 0 0 349.431 3.297 10 5 EGBERN COc1cc(C(=O)N=[S@@](C)(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000926011901 1325388730 /nfs/dbraw/zinc/38/87/30/1325388730.db2.gz LBSXYFZSUHUTAJ-QHCPKHFHSA-N 0 0 340.401 3.174 10 5 EGBERN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000926315660 1325514011 /nfs/dbraw/zinc/51/40/11/1325514011.db2.gz JFPXCUDFSDYFNK-VXGBXAGGSA-N 0 0 347.293 3.216 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000860338892 1329306777 /nfs/dbraw/zinc/30/67/77/1329306777.db2.gz LZUFHSYPVFFIIF-NWDGAFQWSA-N 0 0 338.791 3.137 10 5 EGBERN CC(C)C(=O)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000926888390 1327758824 /nfs/dbraw/zinc/75/88/24/1327758824.db2.gz PMDCOXFZBJYUOU-SFHVURJKSA-N 0 0 340.379 3.220 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC000927196360 1327915488 /nfs/dbraw/zinc/91/54/88/1327915488.db2.gz OVGGGOICEIOCAU-GOSISDBHSA-N 0 0 347.415 3.228 10 5 EGBERN CSC1CCC(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000927385567 1327997672 /nfs/dbraw/zinc/99/76/72/1327997672.db2.gz UVCPPNNDLTWQBG-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN CC[C@@]1(C)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000861208431 1329397401 /nfs/dbraw/zinc/39/74/01/1329397401.db2.gz CZZVHYVHTMMSAD-SFHVURJKSA-N 0 0 328.368 3.389 10 5 EGBERN CCc1ccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928140466 1328213898 /nfs/dbraw/zinc/21/38/98/1328213898.db2.gz YTHLBCQWYFRKMF-LBPRGKRZSA-N 0 0 348.346 3.277 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928376679 1328294835 /nfs/dbraw/zinc/29/48/35/1328294835.db2.gz LRKSVOXXFDIGJL-CYBMUJFWSA-N 0 0 346.412 3.028 10 5 EGBERN C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861444009 1329418413 /nfs/dbraw/zinc/41/84/13/1329418413.db2.gz SKJHUPBAAHCRKS-SFHVURJKSA-N 0 0 328.368 3.125 10 5 EGBERN Cc1nn(C)cc1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861444454 1329418733 /nfs/dbraw/zinc/41/87/33/1329418733.db2.gz NTWKWXSCGXEEBX-LBPRGKRZSA-N 0 0 343.261 3.097 10 5 EGBERN COC/C(C)=C\C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445910 1329418895 /nfs/dbraw/zinc/41/88/95/1329418895.db2.gz PSDBORRTTBHOBP-FNOHHLHBSA-N 0 0 333.262 3.334 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1C[C@]12CCOC2 ZINC000861445372 1329418920 /nfs/dbraw/zinc/41/89/20/1329418920.db2.gz GQUSRTOLFFLIIO-BZPMIXESSA-N 0 0 345.273 3.168 10 5 EGBERN C[C@H]1COCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861680582 1329436108 /nfs/dbraw/zinc/43/61/08/1329436108.db2.gz WHKQWXSUOJYCLA-JSGCOSHPSA-N 0 0 328.368 3.150 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000861896096 1329448922 /nfs/dbraw/zinc/44/89/22/1329448922.db2.gz HTUUCPMBXYNMRZ-RISCZKNCSA-N 0 0 340.807 3.429 10 5 EGBERN CC[C@H](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101287 1329459231 /nfs/dbraw/zinc/45/92/31/1329459231.db2.gz PLPQUBLGIZDHPB-JSGCOSHPSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]1CCO ZINC000862179270 1329464041 /nfs/dbraw/zinc/46/40/41/1329464041.db2.gz XODARBIARACJFO-FZKQIMNGSA-N 0 0 342.395 3.371 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)C1C(C)(C)C1(C)C ZINC000863294938 1329544355 /nfs/dbraw/zinc/54/43/55/1329544355.db2.gz HSENVZJHGVNMGO-UHFFFAOYSA-N 0 0 344.209 3.114 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OCc2noc(C3CCC3)n2)c(F)c1F ZINC000863348817 1329549087 /nfs/dbraw/zinc/54/90/87/1329549087.db2.gz PDOCMWMNLWSCKN-UHFFFAOYSA-N 0 0 347.224 3.381 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)OCC(F)(F)F ZINC000863844379 1329584801 /nfs/dbraw/zinc/58/48/01/1329584801.db2.gz CZTKINFXXDMECM-UHFFFAOYSA-N 0 0 326.658 3.123 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865260422 1329680856 /nfs/dbraw/zinc/68/08/56/1329680856.db2.gz OJCHUFVKLDEAGK-WFASDCNBSA-N 0 0 335.429 3.086 10 5 EGBERN CN(C)C(=O)C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865408957 1329692745 /nfs/dbraw/zinc/69/27/45/1329692745.db2.gz OGCDXDGCEGMTHW-UHFFFAOYSA-N 0 0 346.214 3.206 10 5 EGBERN Cc1noc(C)c1CCCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000865600931 1329718248 /nfs/dbraw/zinc/71/82/48/1329718248.db2.gz VTRXYTKAQHSRQS-UHFFFAOYSA-N 0 0 326.356 3.214 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000865767985 1329736716 /nfs/dbraw/zinc/73/67/16/1329736716.db2.gz VCDMZCICJRSTFA-LBPRGKRZSA-N 0 0 346.358 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCSC3)C2)c(C(F)F)c1 ZINC000865899262 1329750238 /nfs/dbraw/zinc/75/02/38/1329750238.db2.gz YGOJYKWUKIWRGT-CQSZACIVSA-N 0 0 330.356 3.245 10 5 EGBERN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000865898768 1329750244 /nfs/dbraw/zinc/75/02/44/1329750244.db2.gz KHEZVDGVYLQYIW-GFCCVEGCSA-N 0 0 331.347 3.281 10 5 EGBERN COc1cc(NC[C@@H]2C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000865925857 1329752207 /nfs/dbraw/zinc/75/22/07/1329752207.db2.gz OSHJQZZWJXFLJK-STQMWFEESA-N 0 0 329.356 3.223 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000866069793 1330061980 /nfs/dbraw/zinc/06/19/80/1330061980.db2.gz CAKTXGBGXASOKU-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000866157885 1330071812 /nfs/dbraw/zinc/07/18/12/1330071812.db2.gz DNUCZXIPHGHGCV-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000866159677 1330072194 /nfs/dbraw/zinc/07/21/94/1330072194.db2.gz MMICEAPUDNGSAX-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC34CCOCC4)cc2N1 ZINC000866173985 1330073218 /nfs/dbraw/zinc/07/32/18/1330073218.db2.gz FVKAYXFTXPIDRN-CYBMUJFWSA-N 0 0 345.399 3.098 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCC34CCOCC4)c2c1 ZINC000866174572 1330073446 /nfs/dbraw/zinc/07/34/46/1330073446.db2.gz KWPZLGWEKWGPNN-GFCCVEGCSA-N 0 0 328.372 3.157 10 5 EGBERN CC(C)[C@H]1CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867228773 1330186424 /nfs/dbraw/zinc/18/64/24/1330186424.db2.gz BBQCQAYSZBUSDN-GFCCVEGCSA-N 0 0 341.205 3.157 10 5 EGBERN COc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000867324525 1330193905 /nfs/dbraw/zinc/19/39/05/1330193905.db2.gz FHCWKIJYWKVBDR-OAHLLOKOSA-N 0 0 334.372 3.281 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000868555915 1330293662 /nfs/dbraw/zinc/29/36/62/1330293662.db2.gz YYSMJCUXLSJQKD-CQSZACIVSA-N 0 0 343.358 3.078 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000868568948 1330294753 /nfs/dbraw/zinc/29/47/53/1330294753.db2.gz RMFLLBFSOYBUEM-GFCCVEGCSA-N 0 0 327.331 3.138 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868682476 1330314977 /nfs/dbraw/zinc/31/49/77/1330314977.db2.gz DBTHCNZOJALMCI-GXSJLCMTSA-N 0 0 348.296 3.466 10 5 EGBERN Cc1cnc(F)c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000868709154 1330320963 /nfs/dbraw/zinc/32/09/63/1330320963.db2.gz BWSQUUMSEREIJJ-AWEZNQCLSA-N 0 0 343.358 3.457 10 5 EGBERN CCOC(CN(CC)C(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC ZINC000868772864 1330338533 /nfs/dbraw/zinc/33/85/33/1330338533.db2.gz RINKOHFAFSRCLJ-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000869044612 1330400556 /nfs/dbraw/zinc/40/05/56/1330400556.db2.gz JZFWZLJHKMZIRU-HNNXBMFYSA-N 0 0 343.358 3.078 10 5 EGBERN CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053742 1330404196 /nfs/dbraw/zinc/40/41/96/1330404196.db2.gz SEUZATLUOPWRMG-KGLIPLIRSA-N 0 0 337.445 3.377 10 5 EGBERN CSC[C@H]1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869056160 1330404427 /nfs/dbraw/zinc/40/44/27/1330404427.db2.gz YDIYORKJRZFTKC-AWEZNQCLSA-N 0 0 337.445 3.188 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000869055112 1330404705 /nfs/dbraw/zinc/40/47/05/1330404705.db2.gz QMFZQDOUJZTWKO-HZPDHXFCSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1cc(C)c(COC(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000869345751 1330468645 /nfs/dbraw/zinc/46/86/45/1330468645.db2.gz WVHRVQNIVWWNFK-UHFFFAOYSA-N 0 0 330.340 3.037 10 5 EGBERN Cc1cc(C)c(COC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000869360993 1330473034 /nfs/dbraw/zinc/47/30/34/1330473034.db2.gz LEIVKTKSEHZLBA-UHFFFAOYSA-N 0 0 344.367 3.427 10 5 EGBERN CC(C)(C(=O)NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000869600345 1330530671 /nfs/dbraw/zinc/53/06/71/1330530671.db2.gz DUZFTGUIWFJANN-NSHDSACASA-N 0 0 340.420 3.271 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000869892053 1330584265 /nfs/dbraw/zinc/58/42/65/1330584265.db2.gz OSLYZUJQTNAJNM-RHZHCTOVSA-N 0 0 346.383 3.066 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3ccccc3CO)c2c1 ZINC001184991797 1387583627 /nfs/dbraw/zinc/58/36/27/1387583627.db2.gz OZFXWRPIOBQCOK-UHFFFAOYSA-N 0 0 344.758 3.296 10 5 EGBERN CC1(C)CN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC001185137682 1387625078 /nfs/dbraw/zinc/62/50/78/1387625078.db2.gz WIHBRLUGKHSEKB-UHFFFAOYSA-N 0 0 348.230 3.424 10 5 EGBERN COC(=O)c1ccnc(NCCc2cc3ccccc3o2)c1[N+](=O)[O-] ZINC001185450374 1387719780 /nfs/dbraw/zinc/71/97/80/1387719780.db2.gz FXTDGUJNIBQJFB-UHFFFAOYSA-N 0 0 341.323 3.177 10 5 EGBERN Cc1ccc([C@@H](O)CNc2cccc(Br)c2[N+](=O)[O-])o1 ZINC001185467853 1387722694 /nfs/dbraw/zinc/72/26/94/1387722694.db2.gz WJSNAATZOMSHLW-NSHDSACASA-N 0 0 341.161 3.404 10 5 EGBERN Cc1ccc([C@H](O)CNc2cccc(Br)c2[N+](=O)[O-])o1 ZINC001185467850 1387722761 /nfs/dbraw/zinc/72/27/61/1387722761.db2.gz WJSNAATZOMSHLW-LLVKDONJSA-N 0 0 341.161 3.404 10 5 EGBERN C[C@@H](Cc1ccccc1Br)Nc1c([N+](=O)[O-])cnn1C ZINC001185767354 1387794032 /nfs/dbraw/zinc/79/40/32/1387794032.db2.gz UEVGJMYZPQOOJI-VIFPVBQESA-N 0 0 339.193 3.134 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1nc(C(F)(F)F)no1 ZINC001185923038 1387827684 /nfs/dbraw/zinc/82/76/84/1387827684.db2.gz RTJSRJALDDOUOG-UHFFFAOYSA-N 0 0 339.233 3.157 10 5 EGBERN O=[N+]([O-])c1cn(CCc2noc3ccccc32)nc1-c1ccccn1 ZINC001189753520 1367103176 /nfs/dbraw/zinc/10/31/76/1367103176.db2.gz WLCUKBOEWBGRPN-UHFFFAOYSA-N 0 0 335.323 3.237 10 5 EGBERN O=[N+]([O-])c1ccc(OCCSCc2cnc(Cl)cn2)cc1 ZINC001189818004 1367114277 /nfs/dbraw/zinc/11/42/77/1367114277.db2.gz WZLSOIYKDGZAFS-UHFFFAOYSA-N 0 0 325.777 3.350 10 5 EGBERN COC(=O)c1cc2ccc(Oc3ncc([N+](=O)[O-])cc3F)cc2o1 ZINC001186165911 1387887462 /nfs/dbraw/zinc/88/74/62/1387887462.db2.gz BSXBBEWTXZPCLX-UHFFFAOYSA-N 0 0 332.243 3.454 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@](C)(F)C1 ZINC001186538676 1387966499 /nfs/dbraw/zinc/96/64/99/1387966499.db2.gz AIRKFSAAXQLYHP-CQSZACIVSA-N 0 0 330.743 3.363 10 5 EGBERN COC(=O)c1ccc(CCNc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC001186557115 1387970162 /nfs/dbraw/zinc/97/01/62/1387970162.db2.gz QRSFSKBLEDVCKX-UHFFFAOYSA-N 0 0 348.330 3.184 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@@H](O)C2CCCC2)c(Br)c1 ZINC001187380723 1388101603 /nfs/dbraw/zinc/10/16/03/1388101603.db2.gz VNEVTDZWIQRICD-GFCCVEGCSA-N 0 0 344.209 3.105 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001116458201 1370917080 /nfs/dbraw/zinc/91/70/80/1370917080.db2.gz ZJYDAHPXOCEOMY-UHFFFAOYSA-N 0 0 344.820 3.120 10 5 EGBERN CC(C)[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC001116725086 1370962666 /nfs/dbraw/zinc/96/26/66/1370962666.db2.gz PGIYREQNETVEHD-LBPRGKRZSA-N 0 0 331.294 3.207 10 5 EGBERN CC(C)n1cc(COc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC001326075681 1388109182 /nfs/dbraw/zinc/10/91/82/1388109182.db2.gz SAGAEENXHNYANX-UHFFFAOYSA-N 0 0 341.165 3.109 10 5 EGBERN C[C@H]1COC2(CCC2)CN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001118537470 1371194938 /nfs/dbraw/zinc/19/49/38/1371194938.db2.gz VSVOAJVKDTUMCG-JTQLQIEISA-N 0 0 348.790 3.339 10 5 EGBERN Cn1c(C(=O)OCc2csc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001118915881 1371249519 /nfs/dbraw/zinc/24/95/19/1371249519.db2.gz XZTWJLPSSYOLHW-UHFFFAOYSA-N 0 0 334.275 3.371 10 5 EGBERN COc1ccc(Sc2c([N+](=O)[O-])cnn2C)cc1Br ZINC001187663542 1388139529 /nfs/dbraw/zinc/13/95/29/1388139529.db2.gz YMEGEWCKRXLEEH-UHFFFAOYSA-N 0 0 344.190 3.251 10 5 EGBERN CC1(C)CC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)OC1 ZINC001187757247 1388156353 /nfs/dbraw/zinc/15/63/53/1388156353.db2.gz GOPOZWNKDJQPKW-ZDUSSCGKSA-N 0 0 347.415 3.487 10 5 EGBERN Cc1cnc(NCC(=O)N2CCCCc3ccccc32)c([N+](=O)[O-])c1 ZINC001187782426 1388161964 /nfs/dbraw/zinc/16/19/64/1388161964.db2.gz FOJCPNLKAMGMPL-UHFFFAOYSA-N 0 0 340.383 3.080 10 5 EGBERN C[C@@H](C(=O)O[C@@H]1CCCc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001123108228 1372381840 /nfs/dbraw/zinc/38/18/40/1372381840.db2.gz FVFNVUBXSDVQFQ-IAQYHMDHSA-N 0 0 327.340 3.109 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])O[C@H]1C[C@@H](OCC(F)F)C1 ZINC001123218650 1372399809 /nfs/dbraw/zinc/39/98/09/1372399809.db2.gz KEWAKWZGEUBUGR-TXEJJXNPSA-N 0 0 347.289 3.022 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001123318721 1372423800 /nfs/dbraw/zinc/42/38/00/1372423800.db2.gz SEDCWTOTUOXLLZ-CVEARBPZSA-N 0 0 333.388 3.469 10 5 EGBERN CC(C)CCSCC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001123370830 1372445231 /nfs/dbraw/zinc/44/52/31/1372445231.db2.gz WRUMNHUNSRYGMP-UHFFFAOYSA-N 0 0 341.385 3.051 10 5 EGBERN Cc1ncsc1CCCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001123482276 1372485315 /nfs/dbraw/zinc/48/53/15/1372485315.db2.gz DABATOVEVIRTGQ-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN C[C@H](C(=O)N1CCO[C@@H](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001124087748 1372670542 /nfs/dbraw/zinc/67/05/42/1372670542.db2.gz HNIZKUZOFYUPCY-XJKSGUPXSA-N 0 0 334.416 3.362 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@H](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001124087746 1372670709 /nfs/dbraw/zinc/67/07/09/1372670709.db2.gz HNIZKUZOFYUPCY-CJNGLKHVSA-N 0 0 334.416 3.362 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001124227603 1372686113 /nfs/dbraw/zinc/68/61/13/1372686113.db2.gz RNCYPXNVVZDKOE-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC001124406117 1372698951 /nfs/dbraw/zinc/69/89/51/1372698951.db2.gz IGRAWNWWQMRCAE-KRWDZBQOSA-N 0 0 339.351 3.343 10 5 EGBERN COC(=O)c1cccc(OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001124408403 1372699665 /nfs/dbraw/zinc/69/96/65/1372699665.db2.gz XVXPPRVNQFRNSJ-UHFFFAOYSA-N 0 0 347.298 3.059 10 5 EGBERN COc1cccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1Cl ZINC001124643159 1372719470 /nfs/dbraw/zinc/71/94/70/1372719470.db2.gz XCUYNLNMQJHUFZ-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1C ZINC001124740903 1372727234 /nfs/dbraw/zinc/72/72/34/1372727234.db2.gz QYFROFGEQFWEPD-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124878272 1372737091 /nfs/dbraw/zinc/73/70/91/1372737091.db2.gz UTLQLEZEDLTYTM-CHWSQXEVSA-N 0 0 342.399 3.335 10 5 EGBERN COC(=O)c1coc(/C=C\C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001124927869 1372740606 /nfs/dbraw/zinc/74/06/06/1372740606.db2.gz AGXFUBZDXMEZFH-ZADCQDASSA-N 0 0 345.307 3.292 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c2cccnc12 ZINC001125249277 1372763460 /nfs/dbraw/zinc/76/34/60/1372763460.db2.gz GDGGYJNSTVJQPU-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ccc(F)cc2)c1 ZINC001125406838 1372783260 /nfs/dbraw/zinc/78/32/60/1372783260.db2.gz IRXACFVAXKROMA-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnccc2-n2cccn2)c1C ZINC001125990407 1372905586 /nfs/dbraw/zinc/90/55/86/1372905586.db2.gz PWUXDRIHJPATDI-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cccnc1 ZINC001125991485 1372906321 /nfs/dbraw/zinc/90/63/21/1372906321.db2.gz VRBMCNRYLNWGCN-UHFFFAOYSA-N 0 0 325.246 3.285 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ncc(Cl)cc1Cl ZINC001126173115 1372945944 /nfs/dbraw/zinc/94/59/44/1372945944.db2.gz VBCSWSUWKZJLAD-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1(C)C ZINC001126453532 1372966895 /nfs/dbraw/zinc/96/68/95/1372966895.db2.gz WWYZIYHBOMGKHC-HOTGVXAUSA-N 0 0 334.416 3.487 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)n1 ZINC001126516293 1372971683 /nfs/dbraw/zinc/97/16/83/1372971683.db2.gz SSYKRONVDKPSTE-LLVKDONJSA-N 0 0 349.774 3.149 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)/C=C\c2cccnc2C)cc1[N+](=O)[O-] ZINC001126533484 1372972905 /nfs/dbraw/zinc/97/29/05/1372972905.db2.gz USIKKGZXRAFAHI-QIAWRQBBSA-N 0 0 325.368 3.497 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cccc3ncn(C)c32)cc1[N+](=O)[O-] ZINC001126611411 1372983129 /nfs/dbraw/zinc/98/31/29/1372983129.db2.gz PTDBJHPZKNOTLP-LBPRGKRZSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1nc(NC(=O)c2ccc(F)c3ccncc23)ccc1[N+](=O)[O-] ZINC001126706729 1373002685 /nfs/dbraw/zinc/00/26/85/1373002685.db2.gz BCDGNNBKVPPOIR-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001126711394 1373004301 /nfs/dbraw/zinc/00/43/01/1373004301.db2.gz NTHSJBLWDMXYSM-JTQLQIEISA-N 0 0 348.380 3.088 10 5 EGBERN C[C@H]1CCn2cc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc2C1 ZINC001126918944 1373051835 /nfs/dbraw/zinc/05/18/35/1373051835.db2.gz LQDVYBOAQWCMPI-LBPRGKRZSA-N 0 0 342.399 3.039 10 5 EGBERN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001127096212 1373084340 /nfs/dbraw/zinc/08/43/40/1373084340.db2.gz IBRUNPBLBHBDEH-TZMCWYRMSA-N 0 0 334.278 3.361 10 5 EGBERN COc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127261971 1373109886 /nfs/dbraw/zinc/10/98/86/1373109886.db2.gz HJKWXPYCBPHICQ-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN C[Si](C)(C)c1ccc(CC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001127356347 1373118235 /nfs/dbraw/zinc/11/82/35/1373118235.db2.gz YWLDARZPXAAOIL-UHFFFAOYSA-N 0 0 347.418 3.427 10 5 EGBERN Nc1c(C(=O)NCC2(C3CC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001127404351 1373123928 /nfs/dbraw/zinc/12/39/28/1373123928.db2.gz AZJAIFHSDPDKFY-UHFFFAOYSA-N 0 0 325.368 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H]2c3ccccc3OC[C@H]2C)n1 ZINC001127401609 1373124087 /nfs/dbraw/zinc/12/40/87/1373124087.db2.gz GDVPATYBGQJRLW-HWPZZCPQSA-N 0 0 328.324 3.225 10 5 EGBERN CCc1ncc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001127412901 1373125027 /nfs/dbraw/zinc/12/50/27/1373125027.db2.gz ISOQQWHSLSQHGR-UHFFFAOYSA-N 0 0 335.747 3.266 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001127460879 1373128914 /nfs/dbraw/zinc/12/89/14/1373128914.db2.gz AYAXYCQJJLJWSE-CHWSQXEVSA-N 0 0 334.372 3.210 10 5 EGBERN CC(C)[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001127598151 1373145671 /nfs/dbraw/zinc/14/56/71/1373145671.db2.gz JSUQFOCZFKWMIK-OAHLLOKOSA-N 0 0 348.399 3.407 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Oc1cccc2c1OCCO2 ZINC001127820505 1373186614 /nfs/dbraw/zinc/18/66/14/1373186614.db2.gz PCADSZMPFPDNKF-UHFFFAOYSA-N 0 0 329.308 3.202 10 5 EGBERN Cc1cccnc1/C=C\C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864596 1373191785 /nfs/dbraw/zinc/19/17/85/1373191785.db2.gz RUBFYQIHODBESX-CLFYSBASSA-N 0 0 334.335 3.498 10 5 EGBERN COc1cc(OC)cc(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001128011167 1373208293 /nfs/dbraw/zinc/20/82/93/1373208293.db2.gz ZILQSQQPHPKSPT-UHFFFAOYSA-N 0 0 348.330 3.336 10 5 EGBERN CC(C)C(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)C ZINC001128236407 1373238932 /nfs/dbraw/zinc/23/89/32/1373238932.db2.gz VZXKTRZRDDNVNL-UHFFFAOYSA-N 0 0 344.415 3.439 10 5 EGBERN Cc1csc2nc(CC(=O)Nc3c(C)c([N+](=O)[O-])ccc3F)cn12 ZINC001128304365 1373250176 /nfs/dbraw/zinc/25/01/76/1373250176.db2.gz CWAFQUILPOWVRX-UHFFFAOYSA-N 0 0 348.359 3.241 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ncc1F ZINC001128408460 1373263503 /nfs/dbraw/zinc/26/35/03/1373263503.db2.gz WNQSYWOPLYYKND-UHFFFAOYSA-N 0 0 339.710 3.433 10 5 EGBERN COC(=O)c1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001128602154 1373296368 /nfs/dbraw/zinc/29/63/68/1373296368.db2.gz WYCVLOPMUHPBOF-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2C1 ZINC001128761050 1373309135 /nfs/dbraw/zinc/30/91/35/1373309135.db2.gz AQXQXEZEQADDTI-CKYFFXLPSA-N 0 0 337.445 3.288 10 5 EGBERN Cc1ncccc1/C=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129286551 1373368803 /nfs/dbraw/zinc/36/88/03/1373368803.db2.gz KEPYGXQMNJCHLL-ZHACJKMWSA-N 0 0 325.368 3.363 10 5 EGBERN CCc1ccc(C(=O)Nc2cc(Cl)nc(OC)c2)cc1[N+](=O)[O-] ZINC001129566751 1373398066 /nfs/dbraw/zinc/39/80/66/1373398066.db2.gz GMQSVJVYKZEPPN-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC001129738375 1373418436 /nfs/dbraw/zinc/41/84/36/1373418436.db2.gz DZDVEWIBRUIHFT-ZETCQYMHSA-N 0 0 326.230 3.325 10 5 EGBERN COc1ccc(C(=O)Nc2ccc(C)c(C(C)=O)c2)cc1[N+](=O)[O-] ZINC001130450397 1373544955 /nfs/dbraw/zinc/54/49/55/1373544955.db2.gz WAVDWYPDVAHQFE-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN Cc1nocc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001130575463 1373564209 /nfs/dbraw/zinc/56/42/09/1373564209.db2.gz XXHGLJDZLRHCQP-UHFFFAOYSA-N 0 0 330.344 3.134 10 5 EGBERN O=C(NCC(F)(F)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001130681937 1373579302 /nfs/dbraw/zinc/57/93/02/1373579302.db2.gz VZKSUSGTIZDNTI-UHFFFAOYSA-N 0 0 342.248 3.395 10 5 EGBERN Cc1ccc(/C=C\C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC001130760951 1373589281 /nfs/dbraw/zinc/58/92/81/1373589281.db2.gz AEZMRHJJBNLUDR-FPLPWBNLSA-N 0 0 334.335 3.498 10 5 EGBERN CCOc1cc(NC(=O)c2cnc3cnccc3c2)ccc1[N+](=O)[O-] ZINC001130798659 1373593043 /nfs/dbraw/zinc/59/30/43/1373593043.db2.gz JSYUFSMYINHBOV-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN Cc1ccc2c(c1)CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])CC2 ZINC001130867626 1373599658 /nfs/dbraw/zinc/59/96/58/1373599658.db2.gz CGTVIPDDAWFVHD-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001130869930 1373600344 /nfs/dbraw/zinc/60/03/44/1373600344.db2.gz ZGSDZZJKLLIYBF-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2nccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001131092620 1373642587 /nfs/dbraw/zinc/64/25/87/1373642587.db2.gz PAQNIADTFCHPOD-UHFFFAOYSA-N 0 0 342.355 3.302 10 5 EGBERN COc1cccc(COC(=O)c2cccc(OC)c2[N+](=O)[O-])c1C ZINC001131147013 1373653159 /nfs/dbraw/zinc/65/31/59/1373653159.db2.gz DUWFFRAIKAZTHD-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN CCNc1ccc(C(=O)NCc2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC001131284077 1373674639 /nfs/dbraw/zinc/67/46/39/1373674639.db2.gz LZIZFDFHWQIBTL-UHFFFAOYSA-N 0 0 343.383 3.274 10 5 EGBERN C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001131330417 1373681109 /nfs/dbraw/zinc/68/11/09/1373681109.db2.gz OATUPWRPPXREOB-GGPKGHCWSA-N 0 0 338.407 3.429 10 5 EGBERN Cc1cccc(C(=O)NCCc2nsc3ccccc32)c1[N+](=O)[O-] ZINC001131469991 1373704671 /nfs/dbraw/zinc/70/46/71/1373704671.db2.gz QDNCQHDMJGZJAT-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1c(Br)cccc1[N+](=O)[O-] ZINC001131869104 1373851105 /nfs/dbraw/zinc/85/11/05/1373851105.db2.gz WJJGPLQYRJGZHJ-VHSXEESVSA-N 0 0 345.168 3.368 10 5 EGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326771623 1388305349 /nfs/dbraw/zinc/30/53/49/1388305349.db2.gz XHJPOCHQPIJIDP-CRAIPNDOSA-N 0 0 337.379 3.424 10 5 EGBERN O=C(NCc1cccc(F)c1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001131929759 1375053013 /nfs/dbraw/zinc/05/30/13/1375053013.db2.gz JMPLCAZTJNKDLA-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN COc1cncc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC001131965720 1375074185 /nfs/dbraw/zinc/07/41/85/1375074185.db2.gz FDNBOVMXIUBJEI-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc3c2O[C@@H](C)C3)cc1[N+](=O)[O-] ZINC001132419051 1375365914 /nfs/dbraw/zinc/36/59/14/1375365914.db2.gz VHLAMKTUVLQXSK-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN O=C(Nc1cccc2nccnc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001132558810 1375466716 /nfs/dbraw/zinc/46/67/16/1375466716.db2.gz VUKJMSINGOQAQZ-KGLIPLIRSA-N 0 0 334.335 3.280 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC001132637505 1375492964 /nfs/dbraw/zinc/49/29/64/1375492964.db2.gz QLWIWZJCTQNRJP-AWEZNQCLSA-N 0 0 328.393 3.409 10 5 EGBERN CC1(C)C[C@@H](OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC001327102900 1388381346 /nfs/dbraw/zinc/38/13/46/1388381346.db2.gz JUGFFWWIMKHWOV-SNVBAGLBSA-N 0 0 345.804 3.451 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(F)c(F)c(F)c1F ZINC001132720216 1375528400 /nfs/dbraw/zinc/52/84/00/1375528400.db2.gz QYSVTEXYCFWPMR-UHFFFAOYSA-N 0 0 344.220 3.169 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC001132895200 1375631658 /nfs/dbraw/zinc/63/16/58/1375631658.db2.gz WHBBWNBSSZUHMO-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN C=C/C=C\CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001133048720 1375740458 /nfs/dbraw/zinc/74/04/58/1375740458.db2.gz GOHMZTVHVYHDPC-ARJAWSKDSA-N 0 0 325.162 3.219 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133420910 1375997864 /nfs/dbraw/zinc/99/78/64/1375997864.db2.gz UROCDDSGTKBHNA-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)c1csc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)c1 ZINC001188979702 1388425376 /nfs/dbraw/zinc/42/53/76/1388425376.db2.gz FDPHTXOBMHSACW-UHFFFAOYSA-N 0 0 331.353 3.149 10 5 EGBERN CC(C)C[C@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134055566 1376335773 /nfs/dbraw/zinc/33/57/73/1376335773.db2.gz BLWVMVZAMOKLGJ-ZDUSSCGKSA-N 0 0 339.823 3.051 10 5 EGBERN COc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001134483984 1376563073 /nfs/dbraw/zinc/56/30/73/1376563073.db2.gz KYTISLLQYFGIQD-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN COc1cc(C(=O)NCC[C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC001134743479 1376692587 /nfs/dbraw/zinc/69/25/87/1376692587.db2.gz VOEFLWOUMMIBRX-NSHDSACASA-N 0 0 342.342 3.467 10 5 EGBERN Cc1cc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc([N+](=O)[O-])c1 ZINC001134959256 1376810697 /nfs/dbraw/zinc/81/06/97/1376810697.db2.gz BUNFZZSUUUDBKQ-SFHVURJKSA-N 0 0 340.335 3.014 10 5 EGBERN Cc1cc(NC(=O)CCc2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC001134962864 1376812944 /nfs/dbraw/zinc/81/29/44/1376812944.db2.gz KLIGETSNSMCODX-UHFFFAOYSA-N 0 0 326.352 3.409 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1csc(NC2CC2)n1 ZINC001135494557 1377117767 /nfs/dbraw/zinc/11/77/67/1377117767.db2.gz GOHQUDUNXXOJJW-UHFFFAOYSA-N 0 0 332.385 3.495 10 5 EGBERN Cc1ccccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001135521438 1377127413 /nfs/dbraw/zinc/12/74/13/1377127413.db2.gz NTDPOYKJSOHEKK-UHFFFAOYSA-N 0 0 326.352 3.183 10 5 EGBERN C[C@@H](c1ccco1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136113475 1377348173 /nfs/dbraw/zinc/34/81/73/1377348173.db2.gz LGYGWUMEEODTDW-NSHDSACASA-N 0 0 340.339 3.411 10 5 EGBERN CC(C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001136188002 1377362845 /nfs/dbraw/zinc/36/28/45/1377362845.db2.gz UIYJPJPFKXMNFB-LLVKDONJSA-N 0 0 336.779 3.141 10 5 EGBERN CC(C)(C)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001136302340 1377375237 /nfs/dbraw/zinc/37/52/37/1377375237.db2.gz FKZRSAYNAWMYEX-LBPRGKRZSA-N 0 0 336.779 3.489 10 5 EGBERN CC(C)n1ccnc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840104 1377428997 /nfs/dbraw/zinc/42/89/97/1377428997.db2.gz DDIORBIMGRIPGB-INIZCTEOSA-N 0 0 346.412 3.260 10 5 EGBERN CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137218063 1377498675 /nfs/dbraw/zinc/49/86/75/1377498675.db2.gz PKBYYMMLXSVYAP-UHFFFAOYSA-N 0 0 325.324 3.195 10 5 EGBERN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001137707352 1377600800 /nfs/dbraw/zinc/60/08/00/1377600800.db2.gz LDIXWCHWAUFIFK-HOTGVXAUSA-N 0 0 349.431 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(C)C)cc1O ZINC001137781005 1377616016 /nfs/dbraw/zinc/61/60/16/1377616016.db2.gz CSOVCEYJEKYIHM-UHFFFAOYSA-N 0 0 344.367 3.362 10 5 EGBERN CC[C@H]1CCC[C@]1(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001139346240 1377871204 /nfs/dbraw/zinc/87/12/04/1377871204.db2.gz URHHUTHRUQWBIA-GTNSWQLSSA-N 0 0 330.388 3.304 10 5 EGBERN COc1c(OC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc2ccccc21 ZINC001141017224 1378208680 /nfs/dbraw/zinc/20/86/80/1378208680.db2.gz DLLKXFMXVQBQRZ-UHFFFAOYSA-N 0 0 347.714 3.352 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2n[nH]cc2c1 ZINC001141384980 1378315094 /nfs/dbraw/zinc/31/50/94/1378315094.db2.gz FOSQAWXBRNKXGG-UHFFFAOYSA-N 0 0 338.323 3.073 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC001141867860 1378387781 /nfs/dbraw/zinc/38/77/81/1378387781.db2.gz IDKKJZWDWZYVAI-LBPRGKRZSA-N 0 0 344.327 3.088 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001142506327 1378450307 /nfs/dbraw/zinc/45/03/07/1378450307.db2.gz ONFIJCXDARVAET-KOLCDFICSA-N 0 0 325.796 3.385 10 5 EGBERN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C)c1ccccc1 ZINC001142569845 1378460206 /nfs/dbraw/zinc/46/02/06/1378460206.db2.gz UKDUEZVJJDRMTG-CYBMUJFWSA-N 0 0 343.383 3.027 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccccc2Cl)CC1 ZINC001142945647 1378514326 /nfs/dbraw/zinc/51/43/26/1378514326.db2.gz MXNIXGYSPNVCJA-UHFFFAOYSA-N 0 0 331.759 3.250 10 5 EGBERN C[C@@H]1CCCCN1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001144069665 1378678578 /nfs/dbraw/zinc/67/85/78/1378678578.db2.gz DWFHDKBOBPULNT-SECBINFHSA-N 0 0 331.294 3.133 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCNc1ccccc1 ZINC001144341347 1378718418 /nfs/dbraw/zinc/71/84/18/1378718418.db2.gz PLUGQSNAPLXXMY-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN O=C(N[C@@H](c1ccccc1)C1CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001144624205 1378752560 /nfs/dbraw/zinc/75/25/60/1378752560.db2.gz ZJNFOIAMWMFKJJ-LBPRGKRZSA-N 0 0 334.763 3.243 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001148377862 1379159353 /nfs/dbraw/zinc/15/93/53/1379159353.db2.gz AZZPRXNHHHHIGA-MRXNPFEDSA-N 0 0 347.321 3.336 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Br)CO1 ZINC001327937673 1388627689 /nfs/dbraw/zinc/62/76/89/1388627689.db2.gz GBTIWWIYTSJYDU-SECBINFHSA-N 0 0 344.161 3.082 10 5 EGBERN COc1cccc2c1CN(C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C2 ZINC001151784981 1379779990 /nfs/dbraw/zinc/77/99/90/1379779990.db2.gz CRGSZDPLSGZULF-UHFFFAOYSA-N 0 0 348.305 3.346 10 5 EGBERN COc1ccc(NC(=O)c2ccc(C)c(Cl)c2N)cc1[N+](=O)[O-] ZINC001152086013 1379860143 /nfs/dbraw/zinc/86/01/43/1379860143.db2.gz VBRDHSFDJBGCGK-UHFFFAOYSA-N 0 0 335.747 3.400 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400313 1379927508 /nfs/dbraw/zinc/92/75/08/1379927508.db2.gz FTHPWWJBLUZTCG-VXGBXAGGSA-N 0 0 334.420 3.169 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCc1cc(C2CC2)no1 ZINC001327980254 1388637901 /nfs/dbraw/zinc/63/79/01/1388637901.db2.gz YLHLLSCATCOAGZ-UHFFFAOYSA-N 0 0 338.266 3.024 10 5 EGBERN CCOc1cc(COC(=O)C[C@H](C)n2ccc(C)n2)ccc1[N+](=O)[O-] ZINC001327996473 1388641561 /nfs/dbraw/zinc/64/15/61/1388641561.db2.gz MKORMSUOLZZABS-ZDUSSCGKSA-N 0 0 347.371 3.193 10 5 EGBERN CCC[C@@H]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154331538 1380257029 /nfs/dbraw/zinc/25/70/29/1380257029.db2.gz IRSQBDNXELHTGI-DYVFJYSZSA-N 0 0 332.400 3.401 10 5 EGBERN CC1(C)CCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845206 1380364010 /nfs/dbraw/zinc/36/40/10/1380364010.db2.gz QASKNZUFPWRHOL-CYBMUJFWSA-N 0 0 344.415 3.346 10 5 EGBERN C[C@@H]1CCCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154854026 1380365693 /nfs/dbraw/zinc/36/56/93/1380365693.db2.gz TUJDYHXNMNAWGW-TZMCWYRMSA-N 0 0 344.415 3.346 10 5 EGBERN COc1cc(O)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001155238455 1380428120 /nfs/dbraw/zinc/42/81/20/1380428120.db2.gz JGICURSYBZKAEL-UHFFFAOYSA-N 0 0 328.280 3.308 10 5 EGBERN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001156510997 1380586714 /nfs/dbraw/zinc/58/67/14/1380586714.db2.gz DMIWSCYRIHDAQY-OAHLLOKOSA-N 0 0 334.759 3.335 10 5 EGBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001157627462 1380985699 /nfs/dbraw/zinc/98/56/99/1380985699.db2.gz YYBDECOJVYDECP-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN Cc1ccc(NC(=O)c2csc(-c3ccco3)n2)c(N)c1[N+](=O)[O-] ZINC001158223111 1381164313 /nfs/dbraw/zinc/16/43/13/1381164313.db2.gz DRXNNCCLBJQZJN-UHFFFAOYSA-N 0 0 344.352 3.454 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)c(N)c1[N+](=O)[O-] ZINC001158224377 1381165076 /nfs/dbraw/zinc/16/50/76/1381165076.db2.gz QRRFOZUIMHPQBF-UHFFFAOYSA-N 0 0 340.261 3.152 10 5 EGBERN Nc1c(Cl)cc(C(=O)NCC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001158837729 1381424807 /nfs/dbraw/zinc/42/48/07/1381424807.db2.gz WGOOJIXDPXTHPC-MRVPVSSYSA-N 0 0 347.749 3.386 10 5 EGBERN CCn1cc(Cl)c(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC001287973829 1381457941 /nfs/dbraw/zinc/45/79/41/1381457941.db2.gz FDWJOZWFORONQJ-UHFFFAOYSA-N 0 0 337.763 3.438 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc(C3CC3)nn2C)c1F ZINC001328328354 1388723624 /nfs/dbraw/zinc/72/36/24/1388723624.db2.gz MHNFYPPKFMDUDJ-UHFFFAOYSA-N 0 0 336.298 3.045 10 5 EGBERN CSc1cccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001328371102 1388731359 /nfs/dbraw/zinc/73/13/59/1388731359.db2.gz BKVDILKAADSDEE-DVVUODLYSA-N 0 0 342.367 3.480 10 5 EGBERN O=C(Nc1ccsn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001288211104 1381727630 /nfs/dbraw/zinc/72/76/30/1381727630.db2.gz FDANTUKHCOUIDD-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN CNc1nc(C)ccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001159795888 1381903251 /nfs/dbraw/zinc/90/32/51/1381903251.db2.gz PHHNOYAKEIVTSV-UHFFFAOYSA-N 0 0 328.372 3.005 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cnc2ccccc2c1 ZINC001288649944 1381906385 /nfs/dbraw/zinc/90/63/85/1381906385.db2.gz SKHSACPCGXOFNR-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001288716698 1381920704 /nfs/dbraw/zinc/92/07/04/1381920704.db2.gz JZFLWDCUPYLYPE-HNNXBMFYSA-N 0 0 336.388 3.083 10 5 EGBERN C[C@@H](NC(=O)c1c(Cl)nn(C)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001288749348 1381923991 /nfs/dbraw/zinc/92/39/91/1381923991.db2.gz KBYAZSISYAKHQN-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN COc1cccc(F)c1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001289339795 1381993210 /nfs/dbraw/zinc/99/32/10/1381993210.db2.gz YNNXIVBKXVXEJB-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC12CCCCC2 ZINC001289489929 1382001455 /nfs/dbraw/zinc/00/14/55/1382001455.db2.gz DHQFPJGZEPYVQI-INIZCTEOSA-N 0 0 332.400 3.433 10 5 EGBERN O=C(NCc1ccc2sccc2c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001160672397 1382167301 /nfs/dbraw/zinc/16/73/01/1382167301.db2.gz HIZQERKXKNSTNB-INIZCTEOSA-N 0 0 342.376 3.159 10 5 EGBERN Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)ccc2n1 ZINC001292438035 1382197479 /nfs/dbraw/zinc/19/74/79/1382197479.db2.gz WQHLQAJDBDOAOG-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN Cc1ccc(F)c(-c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n[nH]2)c1 ZINC001160903197 1382228247 /nfs/dbraw/zinc/22/82/47/1382228247.db2.gz PLJTWSSYPOKNGU-UHFFFAOYSA-N 0 0 329.291 3.013 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293604822 1382313448 /nfs/dbraw/zinc/31/34/48/1382313448.db2.gz NHEGYQFXOFPKII-NXEZZACHSA-N 0 0 325.796 3.481 10 5 EGBERN C[S@](=N)(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001161511991 1382427562 /nfs/dbraw/zinc/42/75/62/1382427562.db2.gz RQOGGQDPQUNKMS-DEOSSOPVSA-N 0 0 347.396 3.202 10 5 EGBERN Cc1oc(C=O)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001294223876 1382429981 /nfs/dbraw/zinc/42/99/81/1382429981.db2.gz OOIUIJOYROZDQI-UHFFFAOYSA-N 0 0 330.340 3.061 10 5 EGBERN CC(C)c1ccc(C[C@@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001295088041 1382533111 /nfs/dbraw/zinc/53/31/11/1382533111.db2.gz FYLOTOFSLPLYEL-GFCCVEGCSA-N 0 0 342.399 3.056 10 5 EGBERN COc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1OC(F)F ZINC001162120600 1382632597 /nfs/dbraw/zinc/63/25/97/1382632597.db2.gz RBBCNZVXKSXKAX-UHFFFAOYSA-N 0 0 343.261 3.351 10 5 EGBERN Cc1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)nn1C(C)C ZINC001162191686 1382653219 /nfs/dbraw/zinc/65/32/19/1382653219.db2.gz YABYYTNHJJTXIR-UHFFFAOYSA-N 0 0 337.767 3.169 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001295537111 1382702541 /nfs/dbraw/zinc/70/25/41/1382702541.db2.gz XJURGHIPFVKOKM-SUZMYJTESA-N 0 0 337.807 3.481 10 5 EGBERN CO[C@@]1(C)C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1(C)C ZINC001162680274 1382831291 /nfs/dbraw/zinc/83/12/91/1382831291.db2.gz GXTDPPWSHNOTEH-DYVFJYSZSA-N 0 0 337.420 3.417 10 5 EGBERN CC[C@H](NC(=O)c1ccc2[nH]cnc2c1F)c1cccc([N+](=O)[O-])c1 ZINC001295821319 1382836641 /nfs/dbraw/zinc/83/66/41/1382836641.db2.gz XHVZUYHVXCKQBG-ZDUSSCGKSA-N 0 0 342.330 3.491 10 5 EGBERN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1O ZINC001295833159 1382841066 /nfs/dbraw/zinc/84/10/66/1382841066.db2.gz HHZZDLMRQZHUHH-UHFFFAOYSA-N 0 0 338.323 3.047 10 5 EGBERN COc1ccccc1C[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC001162717411 1382846218 /nfs/dbraw/zinc/84/62/18/1382846218.db2.gz JQOPYTWZYFQQIT-AWEZNQCLSA-N 0 0 330.388 3.381 10 5 EGBERN COC(=O)Cc1ccc(NC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC001162928693 1382919339 /nfs/dbraw/zinc/91/93/39/1382919339.db2.gz CSJXATABOAMNQL-VMPITWQZSA-N 0 0 326.352 3.436 10 5 EGBERN COC(=O)c1cc(C)nc(NCCCCCCSC)c1[N+](=O)[O-] ZINC001163031277 1382952092 /nfs/dbraw/zinc/95/20/92/1382952092.db2.gz NYTZOIGOIONAIE-UHFFFAOYSA-N 0 0 341.433 3.420 10 5 EGBERN COC[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001163083544 1382962171 /nfs/dbraw/zinc/96/21/71/1382962171.db2.gz ACICXDHLCQQCEF-BDAKNGLRSA-N 0 0 335.187 3.142 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2CCO)cc1C ZINC001163127148 1382971614 /nfs/dbraw/zinc/97/16/14/1382971614.db2.gz KJQLFNHDNMEEHX-OCCSQVGLSA-N 0 0 336.388 3.043 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC/C=C\c1ccc(Br)cc1 ZINC001163373957 1383035694 /nfs/dbraw/zinc/03/56/94/1383035694.db2.gz ZGKBYXHVHRIPHD-IHWYPQMZSA-N 0 0 337.177 3.216 10 5 EGBERN CC1(C)CCC[C@]1(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001163378230 1383036635 /nfs/dbraw/zinc/03/66/35/1383036635.db2.gz QHVRXRJHLGZSEG-KRWDZBQOSA-N 0 0 333.363 3.057 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C2(O)CCCC2)c1 ZINC001163507378 1383068194 /nfs/dbraw/zinc/06/81/94/1383068194.db2.gz FHZXUCLOLCPCKX-UHFFFAOYSA-N 0 0 336.388 3.125 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@]2(CO)CCc3ccccc32)c2ccccc21 ZINC001163643547 1383094466 /nfs/dbraw/zinc/09/44/66/1383094466.db2.gz UERLZMICDGAPKT-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN CCN(CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001163733222 1383116364 /nfs/dbraw/zinc/11/63/64/1383116364.db2.gz FBJIDJRJWZLBLX-UHFFFAOYSA-N 0 0 327.356 3.085 10 5 EGBERN CC(=O)c1ccc(N[C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001163754679 1383118147 /nfs/dbraw/zinc/11/81/47/1383118147.db2.gz RCJVXBRISAMDLM-CQSZACIVSA-N 0 0 330.315 3.352 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H]3COc4cc(F)ccc4C3)c2c1 ZINC001163754977 1383118269 /nfs/dbraw/zinc/11/82/69/1383118269.db2.gz YQNDLHQKFVQFQV-GFCCVEGCSA-N 0 0 340.314 3.093 10 5 EGBERN Nc1c(C(=O)NCC=C(Cl)Cl)cc2ccccc2c1[N+](=O)[O-] ZINC001163765076 1383120138 /nfs/dbraw/zinc/12/01/38/1383120138.db2.gz MLGQKACZDBTMMV-UHFFFAOYSA-N 0 0 340.166 3.379 10 5 EGBERN CCCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H](C)C(=O)OCC ZINC001297140932 1383121742 /nfs/dbraw/zinc/12/17/42/1383121742.db2.gz MMPKQDNBQUWZCW-SNVBAGLBSA-N 0 0 342.779 3.052 10 5 EGBERN Cc1cc(N[C@H](C)Cc2cn(C)nn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164046377 1383150316 /nfs/dbraw/zinc/15/03/16/1383150316.db2.gz HXAGMGRUQOYTSG-SECBINFHSA-N 0 0 343.309 3.094 10 5 EGBERN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1C ZINC001164099241 1383156359 /nfs/dbraw/zinc/15/63/59/1383156359.db2.gz TVBNQECUFFFOEV-NSHDSACASA-N 0 0 329.356 3.184 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC001164114694 1383157630 /nfs/dbraw/zinc/15/76/30/1383157630.db2.gz TZFNQVBPWCVMIU-MLGOLLRUSA-N 0 0 346.314 3.265 10 5 EGBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC001164177052 1383163168 /nfs/dbraw/zinc/16/31/68/1383163168.db2.gz MMMWGCFTBVDQKJ-ZYHUDNBSSA-N 0 0 339.367 3.401 10 5 EGBERN O=[N+]([O-])c1c(Br)cccc1N1CC[C@H](c2cnccn2)C1 ZINC001164212396 1383166556 /nfs/dbraw/zinc/16/65/56/1383166556.db2.gz OSKDKRAWEUMMHU-JTQLQIEISA-N 0 0 349.188 3.141 10 5 EGBERN O=C(COc1ccc2ccc(=O)oc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001164458803 1383189005 /nfs/dbraw/zinc/18/90/05/1383189005.db2.gz KWCDOKVSAXIDJS-UHFFFAOYSA-N 0 0 343.266 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCc2csc(-c3ccn(C)n3)n2)c1 ZINC001165276054 1383264225 /nfs/dbraw/zinc/26/42/25/1383264225.db2.gz SDTRNJATZYZTEB-UHFFFAOYSA-N 0 0 330.369 3.339 10 5 EGBERN CC1(C)C[C@@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC001165615683 1383315496 /nfs/dbraw/zinc/31/54/96/1383315496.db2.gz QTBUOSUSXDOYEG-LBPRGKRZSA-N 0 0 347.371 3.005 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1F ZINC001165674025 1383323090 /nfs/dbraw/zinc/32/30/90/1383323090.db2.gz LFKZMXZMKSCFKM-MRXNPFEDSA-N 0 0 331.347 3.443 10 5 EGBERN Nc1c(C(=O)Nc2cnc3c(F)cccc3c2)cc(F)cc1[N+](=O)[O-] ZINC001165761096 1383340841 /nfs/dbraw/zinc/34/08/41/1383340841.db2.gz YKCJJZZKHQFYTR-UHFFFAOYSA-N 0 0 344.277 3.256 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001166101594 1383389834 /nfs/dbraw/zinc/38/98/34/1383389834.db2.gz FZUQVSAMEGTHLT-OAHLLOKOSA-N 0 0 348.362 3.168 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCc2cnn(-c3ccccc3)c2)c1 ZINC001166406862 1383419272 /nfs/dbraw/zinc/41/92/72/1383419272.db2.gz RXIUCNOWXPOVJK-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN O=[N+]([O-])c1nc(Br)n(Cc2cccc3ccccc32)n1 ZINC001166696395 1383462774 /nfs/dbraw/zinc/46/27/74/1383462774.db2.gz BSVROUZYTIZLKW-UHFFFAOYSA-N 0 0 333.145 3.150 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001299549751 1383565257 /nfs/dbraw/zinc/56/52/57/1383565257.db2.gz DFFSZLFPOVYWGB-UHFFFAOYSA-N 0 0 327.384 3.237 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[nH]n2)o1 ZINC001299947602 1383636978 /nfs/dbraw/zinc/63/69/78/1383636978.db2.gz JLBYASKKMSPIGW-UHFFFAOYSA-N 0 0 344.302 3.207 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H](O)C2CCCCCCC2)cc1[N+](=O)[O-] ZINC001302608123 1383760950 /nfs/dbraw/zinc/76/09/50/1383760950.db2.gz FEWDFYLZRNYGJV-KRWDZBQOSA-N 0 0 334.416 3.241 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1csnc1OC ZINC001303231409 1383788950 /nfs/dbraw/zinc/78/89/50/1383788950.db2.gz PRFHIIHIWKXDKW-NSHDSACASA-N 0 0 335.385 3.267 10 5 EGBERN Nc1c(C(=O)Nc2cnc3[nH]ccc3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001303462005 1383799521 /nfs/dbraw/zinc/79/95/21/1383799521.db2.gz UHSFFPAWXPWTON-UHFFFAOYSA-N 0 0 349.709 3.050 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cnc3[nH]ccc3c2)ccc1[N+](=O)[O-] ZINC001303462161 1383800415 /nfs/dbraw/zinc/80/04/15/1383800415.db2.gz YTLILCAIMJSDRQ-UHFFFAOYSA-N 0 0 340.339 3.462 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001304113780 1383832985 /nfs/dbraw/zinc/83/29/85/1383832985.db2.gz VKSFPMRBNVEUCR-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN Cc1ccc2cnccc2c1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001306105619 1383874904 /nfs/dbraw/zinc/87/49/04/1383874904.db2.gz NYOIAODHKXCDHF-QGZVFWFLSA-N 0 0 337.335 3.124 10 5 EGBERN CC(C)c1cc(=O)oc2cc(Oc3nn(C)cc3[N+](=O)[O-])ccc21 ZINC001306910166 1383918808 /nfs/dbraw/zinc/91/88/08/1383918808.db2.gz RSJKAZWMIYESDU-UHFFFAOYSA-N 0 0 329.312 3.350 10 5 EGBERN O=[N+]([O-])c1cnn(-c2nc3c(F)cccc3cc2Br)c1 ZINC001306923258 1383921032 /nfs/dbraw/zinc/92/10/32/1383921032.db2.gz BLASWBLJWZQCIJ-UHFFFAOYSA-N 0 0 337.108 3.230 10 5 EGBERN NC(=O)c1cc(Nc2ccc(OCC3CC3)cc2)ccc1[N+](=O)[O-] ZINC001306965804 1383927159 /nfs/dbraw/zinc/92/71/59/1383927159.db2.gz PYTZSTWLUDZTKE-UHFFFAOYSA-N 0 0 327.340 3.226 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(SCC(=O)OC(C)C)cc1C ZINC001306972729 1383928502 /nfs/dbraw/zinc/92/85/02/1383928502.db2.gz VWBKKLKGAUXDAK-UHFFFAOYSA-N 0 0 341.385 3.124 10 5 EGBERN CC[C@H]1CCCC[C@@H]1N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001306999545 1383931850 /nfs/dbraw/zinc/93/18/50/1383931850.db2.gz NSDLIRKBJQVZNS-JSGCOSHPSA-N 0 0 335.404 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC3(C2)OCCO3)nc1-c1ccccc1 ZINC001307080165 1383937625 /nfs/dbraw/zinc/93/76/25/1383937625.db2.gz JDMLYGHKTWEORQ-AWEZNQCLSA-N 0 0 341.367 3.364 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-c2nncnn2)cc1 ZINC001307154815 1383946896 /nfs/dbraw/zinc/94/68/96/1383946896.db2.gz BVAJWEAJUVLXPL-UHFFFAOYSA-N 0 0 342.746 3.107 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC001307186849 1383952751 /nfs/dbraw/zinc/95/27/51/1383952751.db2.gz HSMLLJCIROXKBM-LQPUYASZSA-N 0 0 336.413 3.336 10 5 EGBERN CN1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])Cc2ccccc21 ZINC001307187439 1383953244 /nfs/dbraw/zinc/95/32/44/1383953244.db2.gz KJZKNGZQUGWELG-AWEZNQCLSA-N 0 0 334.379 3.038 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001307205845 1383956853 /nfs/dbraw/zinc/95/68/53/1383956853.db2.gz TVVVVZVFLMDUKQ-GMSGAONNSA-N 0 0 335.238 3.025 10 5 EGBERN C[C@H]1Cc2n[nH]cc2CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC001307210021 1383958074 /nfs/dbraw/zinc/95/80/74/1383958074.db2.gz XGFBIOPNKZFVFA-VIFPVBQESA-N 0 0 338.314 3.118 10 5 EGBERN COc1ccc(CN(CCCO)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001307228755 1383961362 /nfs/dbraw/zinc/96/13/62/1383961362.db2.gz WRUQJTAFDSYAEU-UHFFFAOYSA-N 0 0 348.374 3.440 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC001307273732 1383965513 /nfs/dbraw/zinc/96/55/13/1383965513.db2.gz GMNOKQJDNYEZQM-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN Cc1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1F ZINC001307292347 1383967691 /nfs/dbraw/zinc/96/76/91/1383967691.db2.gz DBMJSXTZKHVMMS-UHFFFAOYSA-N 0 0 339.326 3.314 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC001307717428 1384018964 /nfs/dbraw/zinc/01/89/64/1384018964.db2.gz ZXRSARDIFWHFJM-CYBMUJFWSA-N 0 0 343.221 3.358 10 5 EGBERN CN(Cc1cccnc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001168893471 1384049987 /nfs/dbraw/zinc/04/99/87/1384049987.db2.gz JZOSMJUXNPMNRC-UHFFFAOYSA-N 0 0 336.189 3.384 10 5 EGBERN CC(C)(C)OC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC001307899314 1384052803 /nfs/dbraw/zinc/05/28/03/1384052803.db2.gz DLRBQYZQDDMULB-UHFFFAOYSA-N 0 0 334.416 3.191 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926595 1384058116 /nfs/dbraw/zinc/05/81/16/1384058116.db2.gz WPJZOHVHMNUNSG-LBPRGKRZSA-N 0 0 338.404 3.156 10 5 EGBERN CC(C)(C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001308167982 1384104831 /nfs/dbraw/zinc/10/48/31/1384104831.db2.gz ARXOOLFKMPAWQI-OAHLLOKOSA-N 0 0 337.376 3.140 10 5 EGBERN COc1ccc(F)c(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001313051370 1384390180 /nfs/dbraw/zinc/39/01/80/1384390180.db2.gz LJYCBBHODCWJOY-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN C[C@H](NC(=O)NCCNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001313286344 1384407142 /nfs/dbraw/zinc/40/71/42/1384407142.db2.gz IPKTWRVSMBNCFZ-ZDUSSCGKSA-N 0 0 328.372 3.067 10 5 EGBERN Cc1oc(C(C)C)cc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001316594525 1384463421 /nfs/dbraw/zinc/46/34/21/1384463421.db2.gz GRKNSONBASJPJO-UHFFFAOYSA-N 0 0 345.399 3.486 10 5 EGBERN COC(=O)[C@@]1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H](C)CC1 ZINC001171862581 1384663789 /nfs/dbraw/zinc/66/37/89/1384663789.db2.gz MKHZJTNXTXPGAI-SXUIPJSXSA-N 0 0 340.807 3.460 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329078887 1388958703 /nfs/dbraw/zinc/95/87/03/1388958703.db2.gz DTUDZGIJHBNXDA-MXWKQRLJSA-N 0 0 342.367 3.237 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c(C)cccc1F ZINC001319066818 1385950820 /nfs/dbraw/zinc/95/08/20/1385950820.db2.gz HQHSYTVKPSIXCH-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001177471476 1385969683 /nfs/dbraw/zinc/96/96/83/1385969683.db2.gz UNXSLWWCGVZVJA-UHFFFAOYSA-N 0 0 328.155 3.202 10 5 EGBERN CC(C)(NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001177948501 1386092877 /nfs/dbraw/zinc/09/28/77/1386092877.db2.gz KHTRLJHUECXTPO-UHFFFAOYSA-N 0 0 334.322 3.467 10 5 EGBERN O=C(N[C@@H](c1ncon1)C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001178446312 1386220208 /nfs/dbraw/zinc/22/02/08/1386220208.db2.gz NZFSDNVSECMPCZ-CYBMUJFWSA-N 0 0 344.352 3.074 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2cnc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC001179058429 1386389763 /nfs/dbraw/zinc/38/97/63/1386389763.db2.gz NAGYNANCRXAZAR-UHFFFAOYSA-N 0 0 325.328 3.242 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001179687953 1386554168 /nfs/dbraw/zinc/55/41/68/1386554168.db2.gz DSJSCVWHJQZFGR-OAHLLOKOSA-N 0 0 339.395 3.314 10 5 EGBERN Cc1ccc(NC(=O)c2ncc(Cl)cc2Cl)c(N)c1[N+](=O)[O-] ZINC001179879942 1386617109 /nfs/dbraw/zinc/61/71/09/1386617109.db2.gz WQJVVEUEJZCCNL-UHFFFAOYSA-N 0 0 341.154 3.440 10 5 EGBERN CNc1c(C(=O)NCC2(OC)CCCCCC2)cccc1[N+](=O)[O-] ZINC001180170871 1386720581 /nfs/dbraw/zinc/72/05/81/1386720581.db2.gz JJFNCZDPYSAARV-UHFFFAOYSA-N 0 0 335.404 3.106 10 5 EGBERN CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC001320936084 1386763743 /nfs/dbraw/zinc/76/37/43/1386763743.db2.gz QIDSJNFQDKFNMP-QMTHXVAHSA-N 0 0 343.221 3.214 10 5 EGBERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1Br ZINC001321117442 1386814284 /nfs/dbraw/zinc/81/42/84/1386814284.db2.gz HASRGEZSBLUSKR-DDFAGTSDSA-N 0 0 343.221 3.091 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001181814790 1387059895 /nfs/dbraw/zinc/05/98/95/1387059895.db2.gz VTLDNKCMVWYDAY-ZIAGYGMSSA-N 0 0 331.416 3.269 10 5 EGBERN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cn2)c2c1[C@@H](C)CC2=O ZINC001322587674 1387210014 /nfs/dbraw/zinc/21/00/14/1387210014.db2.gz KLKCOZJXKWPJIO-JTQLQIEISA-N 0 0 326.308 3.207 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001329471642 1389120591 /nfs/dbraw/zinc/12/05/91/1389120591.db2.gz PWXZFJHOANWVLO-NSHDSACASA-N 0 0 337.763 3.448 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001330633091 1389478156 /nfs/dbraw/zinc/47/81/56/1389478156.db2.gz DCDIRRYHIZHORU-UHFFFAOYSA-N 0 0 326.312 3.204 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001330775109 1389523339 /nfs/dbraw/zinc/52/33/39/1389523339.db2.gz QUWRNMJLFBDHQY-DYVFJYSZSA-N 0 0 347.415 3.071 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001331230699 1389663348 /nfs/dbraw/zinc/66/33/48/1389663348.db2.gz UDYVRPQIBGJUCE-GRYCIOLGSA-N 0 0 340.326 3.157 10 5 EGBERN COc1cncc(/C=C/CCSCCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001332269286 1390070720 /nfs/dbraw/zinc/07/07/20/1390070720.db2.gz GZMBLWJFBRXNMK-HWKANZROSA-N 0 0 348.428 3.340 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC001340647924 1390336302 /nfs/dbraw/zinc/33/63/02/1390336302.db2.gz NRYDETUEWQRDBF-UHFFFAOYSA-N 0 0 347.321 3.113 10 5 EGBERN Cc1ccc(CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001333892250 1390431529 /nfs/dbraw/zinc/43/15/29/1390431529.db2.gz ZENWBYDJNHVNPM-UHFFFAOYSA-N 0 0 336.775 3.441 10 5 EGBERN COc1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 ZINC001341544298 1390500051 /nfs/dbraw/zinc/50/00/51/1390500051.db2.gz QWMJLCKQFKPFMZ-UHFFFAOYSA-N 0 0 327.296 3.329 10 5 EGBERN CC(C)(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001335411436 1390681150 /nfs/dbraw/zinc/68/11/50/1390681150.db2.gz DZJBGZCKTXPZLL-UHFFFAOYSA-N 0 0 340.445 3.373 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@@]12CCC[C@H]1OCC2 ZINC001344315241 1390781326 /nfs/dbraw/zinc/78/13/26/1390781326.db2.gz NGDQFCHLPRLVSS-AEFFLSMTSA-N 0 0 344.367 3.121 10 5 EGBERN C[C@H](NC(=O)Nc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC001344485585 1390794439 /nfs/dbraw/zinc/79/44/39/1390794439.db2.gz HRLSCUHXHCCXFC-JTQLQIEISA-N 0 0 329.360 3.088 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001345689618 1390876689 /nfs/dbraw/zinc/87/66/89/1390876689.db2.gz KLUOIKVZUSIAFW-HNNXBMFYSA-N 0 0 344.367 3.278 10 5 EGBERN COc1ccc(-c2nnc(CCOc3ccccc3)o2)cc1[N+](=O)[O-] ZINC001345927817 1390894335 /nfs/dbraw/zinc/89/43/35/1390894335.db2.gz GQZINILGDWMCDE-UHFFFAOYSA-N 0 0 341.323 3.275 10 5 EGBERN CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939435 1390895438 /nfs/dbraw/zinc/89/54/38/1390895438.db2.gz QIJYKEJXZJGJKH-JKSUJKDBSA-N 0 0 329.356 3.389 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001346129805 1390909765 /nfs/dbraw/zinc/90/97/65/1390909765.db2.gz VRPANRKREJTGEV-JQFCIGGWSA-N 0 0 347.415 3.399 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C[C@H](C)[C@H]1O ZINC001346630261 1390964135 /nfs/dbraw/zinc/96/41/35/1390964135.db2.gz HKLUWTIQIHPYCI-PBKGOJFUSA-N 0 0 343.383 3.229 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001347632288 1391102824 /nfs/dbraw/zinc/10/28/24/1391102824.db2.gz SULPJFRATRTGOR-WBVHZDCISA-N 0 0 346.427 3.381 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001347816010 1391128918 /nfs/dbraw/zinc/12/89/18/1391128918.db2.gz FDZHFIYKJTXIFF-JFUSQASVSA-N 0 0 342.367 3.480 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC001348023878 1391161482 /nfs/dbraw/zinc/16/14/82/1391161482.db2.gz AUBOJNVIMIYLQT-OWCLPIDISA-N 0 0 345.443 3.316 10 5 EGBERN Cn1ccsc1=NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001348079863 1391170831 /nfs/dbraw/zinc/17/08/31/1391170831.db2.gz ZALXTNBODDESBZ-UHFFFAOYSA-N 0 0 332.168 3.043 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC2([C@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348267781 1391196205 /nfs/dbraw/zinc/19/62/05/1391196205.db2.gz NIJVNQWHVCXYOO-CQSZACIVSA-N 0 0 338.791 3.388 10 5 EGBERN C[C@@H](C(=O)NC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001348269607 1391196636 /nfs/dbraw/zinc/19/66/36/1391196636.db2.gz XZOGWJABHGQAOU-IAQYHMDHSA-N 0 0 336.363 3.055 10 5 EGBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC001348438946 1391219881 /nfs/dbraw/zinc/21/98/81/1391219881.db2.gz KMIWJYMJLURRAM-LLVKDONJSA-N 0 0 346.240 3.063 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001348666945 1391251271 /nfs/dbraw/zinc/25/12/71/1391251271.db2.gz PHMVVRMYUURMJN-QGZVFWFLSA-N 0 0 326.352 3.199 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001349056313 1391299575 /nfs/dbraw/zinc/29/95/75/1391299575.db2.gz JEIXVXLOBVBORB-YPMHNXCESA-N 0 0 335.404 3.102 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349293525 1391318019 /nfs/dbraw/zinc/31/80/19/1391318019.db2.gz DHEFCLBRDYVYAK-HUUCEWRRSA-N 0 0 340.335 3.124 10 5 EGBERN O=C([C@@H]1CCOc2c(F)cccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349435442 1391330655 /nfs/dbraw/zinc/33/06/55/1391330655.db2.gz WPKGTXCWWQBMLF-CQSZACIVSA-N 0 0 342.326 3.189 10 5 EGBERN Cc1ccccc1OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001349763304 1391364043 /nfs/dbraw/zinc/36/40/43/1391364043.db2.gz GSPSOPXLJWKDLG-UHFFFAOYSA-N 0 0 329.308 3.284 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(Br)c1Cl ZINC001349806187 1391369781 /nfs/dbraw/zinc/36/97/81/1391369781.db2.gz RUPZPYFRDXABQF-ZETCQYMHSA-N 0 0 336.569 3.315 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1sc2cccc(F)c2c1COC ZINC001349805940 1391369852 /nfs/dbraw/zinc/36/98/52/1391369852.db2.gz PPNVWBDLLTUUFJ-SECBINFHSA-N 0 0 341.360 3.399 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nsc2ccccc21 ZINC001349905108 1391383408 /nfs/dbraw/zinc/38/34/08/1391383408.db2.gz XGMWSHMOJJETNF-UHFFFAOYSA-N 0 0 327.365 3.477 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001351284391 1391620627 /nfs/dbraw/zinc/62/06/27/1391620627.db2.gz ZXOGQSPCVTTYCT-UHFFFAOYSA-N 0 0 343.339 3.092 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001351310639 1391625057 /nfs/dbraw/zinc/62/50/57/1391625057.db2.gz FBBLNCKFGWNIIV-GFCCVEGCSA-N 0 0 343.314 3.107 10 5 EGBERN CN(C(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001351681869 1391670206 /nfs/dbraw/zinc/67/02/06/1391670206.db2.gz ANGZCAZADRDPKY-GFCCVEGCSA-N 0 0 339.351 3.074 10 5 EGBERN COC(=O)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001351706317 1391676894 /nfs/dbraw/zinc/67/68/94/1391676894.db2.gz ZJEMAIJNCSMBEE-UHFFFAOYSA-N 0 0 344.367 3.019 10 5 EGBERN C/C(=C\C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001352324692 1391784205 /nfs/dbraw/zinc/78/42/05/1391784205.db2.gz BDWDBWHQDSKJOK-VAWYXSNFSA-N 0 0 331.397 3.288 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(C)c1 ZINC001352597258 1391819823 /nfs/dbraw/zinc/81/98/23/1391819823.db2.gz WKMNOCCDBFSHKM-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C ZINC001352635293 1391826794 /nfs/dbraw/zinc/82/67/94/1391826794.db2.gz WRYGUXWMXJNVSI-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001352732630 1391837366 /nfs/dbraw/zinc/83/73/66/1391837366.db2.gz DMWXPPCALFQBJF-JKSUJKDBSA-N 0 0 349.350 3.122 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCOc1ccc(F)cc1 ZINC001353372236 1391997919 /nfs/dbraw/zinc/99/79/19/1391997919.db2.gz NNYNQWPCHSFTJU-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN C[C@H](C(=O)N=c1sc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC001353576979 1392042880 /nfs/dbraw/zinc/04/28/80/1392042880.db2.gz HORLHEKBAPRHQD-NSHDSACASA-N 0 0 341.392 3.379 10 5 EGBERN Cc1cc(F)cc(C(=O)N=c2sc3ccccc3n2C)c1[N+](=O)[O-] ZINC001353577431 1392042957 /nfs/dbraw/zinc/04/29/57/1392042957.db2.gz OYTATBVYGRXZGX-UHFFFAOYSA-N 0 0 345.355 3.337 10 5 EGBERN O=C(COCc1cccc(Cl)c1)NCc1cccc([N+](=O)[O-])c1 ZINC001353681484 1392066650 /nfs/dbraw/zinc/06/66/50/1392066650.db2.gz KCVRCIPHOGNDFO-UHFFFAOYSA-N 0 0 334.759 3.081 10 5 EGBERN COc1cccc(CN(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001353824843 1392099721 /nfs/dbraw/zinc/09/97/21/1392099721.db2.gz IPTULFKKFUMKEH-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC001353868774 1392103954 /nfs/dbraw/zinc/10/39/54/1392103954.db2.gz NHBDNUVLBRLQOE-UHFFFAOYSA-N 0 0 344.323 3.363 10 5 EGBERN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001354579593 1392154035 /nfs/dbraw/zinc/15/40/35/1392154035.db2.gz DMWYNEBVIHXSBR-SNVBAGLBSA-N 0 0 336.294 3.070 10 5 EGBERN O=C(Nc1ccccc1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001354930286 1392178774 /nfs/dbraw/zinc/17/87/74/1392178774.db2.gz JMWNANGWFCAQHN-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001355003969 1392184978 /nfs/dbraw/zinc/18/49/78/1392184978.db2.gz KIKTWLOQSRAHFB-LLVKDONJSA-N 0 0 346.240 3.063 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2nc1C1CC1 ZINC001355025333 1392186742 /nfs/dbraw/zinc/18/67/42/1392186742.db2.gz UHMUDHDGIACQCN-UHFFFAOYSA-N 0 0 348.362 3.345 10 5 EGBERN COc1c(C(=O)N(C)[C@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC001355111144 1392194040 /nfs/dbraw/zinc/19/40/40/1392194040.db2.gz GCSSWCPYIGJPGG-LLVKDONJSA-N 0 0 334.397 3.368 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1CCCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC001687785360 1396492816 /nfs/dbraw/zinc/49/28/16/1396492816.db2.gz BMHGTLYLPHZUTI-HNNXBMFYSA-N 0 0 349.431 3.477 10 5 EGBERN CCN(CCNC(=O)CC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001691010462 1404925353 /nfs/dbraw/zinc/92/53/53/1404925353.db2.gz VYINGYOUFWWGGE-UHFFFAOYSA-N 0 0 345.443 3.423 10 5 EGBERN CCC1(C(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001692266412 1405898314 /nfs/dbraw/zinc/89/83/14/1405898314.db2.gz JKXURMPNTOFXEL-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CCCC(CCC)C(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001732110042 1428365405 /nfs/dbraw/zinc/36/54/05/1428365405.db2.gz UARYBZFJOINNGG-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CC(C)=C(C)CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001699660672 1413043584 /nfs/dbraw/zinc/04/35/84/1413043584.db2.gz ZRPHCDVUNBWCHV-UHFFFAOYSA-N 0 0 337.445 3.141 10 5 EGBERN CCCCC(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701042785 1414699769 /nfs/dbraw/zinc/69/97/69/1414699769.db2.gz NZLQMESLFLQDCO-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN CCc1ccccc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001714557782 1419285525 /nfs/dbraw/zinc/28/55/25/1419285525.db2.gz KRMVWPNXGUHNBD-UHFFFAOYSA-N 0 0 341.411 3.019 10 5 EGBERN CN(CCN(C)C(=O)CCC1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001715533906 1420226067 /nfs/dbraw/zinc/22/60/67/1420226067.db2.gz JKXQUWYHXVRPJL-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN CC(C)CCCCC(=O)N(C)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001733316105 1429501685 /nfs/dbraw/zinc/50/16/85/1429501685.db2.gz ZLQSILHETLJSPR-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001726483339 1427062623 /nfs/dbraw/zinc/06/26/23/1427062623.db2.gz HPQHVBWWZVICSS-GXTWGEPZSA-N 0 0 341.415 3.498 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000173559937 230970938 /nfs/dbraw/zinc/97/09/38/230970938.db2.gz SJZYLGWREKJWDS-HNNXBMFYSA-N 0 0 343.383 3.066 10 5 EGBERN CC[C@@]1(CO)CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000187051892 529542118 /nfs/dbraw/zinc/54/21/18/529542118.db2.gz GPWWKPWUJGLKSU-GPZRYRNASA-N 0 0 332.400 3.009 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000192228794 529547580 /nfs/dbraw/zinc/54/75/80/529547580.db2.gz GFLIGHWHWRGICR-GWCFXTLKSA-N 0 0 347.337 3.045 10 5 EGBERN Cc1nn(CN2CCSc3ccc([N+](=O)[O-])cc32)c(=S)s1 ZINC000040155494 282302722 /nfs/dbraw/zinc/30/27/22/282302722.db2.gz BQEYTEXRITWIKE-UHFFFAOYSA-N 0 0 340.455 3.461 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Cl)cn2)c1 ZINC000181677189 234280644 /nfs/dbraw/zinc/28/06/44/234280644.db2.gz SOSSRUYMLXZLOD-UHFFFAOYSA-N 0 0 349.774 3.037 10 5 EGBERN Cc1csc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000372188382 168708813 /nfs/dbraw/zinc/70/88/13/168708813.db2.gz RPQYIMQPQAIOPB-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc2ccccn2c1=S ZINC000024654678 202119853 /nfs/dbraw/zinc/11/98/53/202119853.db2.gz WCRZVWMULXTDQZ-LLVKDONJSA-N 0 0 341.396 3.182 10 5 EGBERN CNC(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000026470610 202144183 /nfs/dbraw/zinc/14/41/83/202144183.db2.gz FVQMVVVLVSBVTD-NSHDSACASA-N 0 0 336.420 3.262 10 5 EGBERN CN(Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(N)n1 ZINC000032826116 202237603 /nfs/dbraw/zinc/23/76/03/202237603.db2.gz RJYYERYDVSCQDX-UHFFFAOYSA-N 0 0 326.278 3.227 10 5 EGBERN Cc1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000033456332 212940484 /nfs/dbraw/zinc/94/04/84/212940484.db2.gz MYAJCXSJFAGHNX-DAXSKMNVSA-N 0 0 326.308 3.284 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374725984 168779955 /nfs/dbraw/zinc/77/99/55/168779955.db2.gz LMOFZJQPOHZWLY-CQSZACIVSA-N 0 0 326.356 3.086 10 5 EGBERN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000060863097 202784394 /nfs/dbraw/zinc/78/43/94/202784394.db2.gz NVSXEXYRDBVBNI-SECBINFHSA-N 0 0 330.369 3.412 10 5 EGBERN Cc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccn2)c1 ZINC000372316508 242044814 /nfs/dbraw/zinc/04/48/14/242044814.db2.gz NLTJVIBYSFPFQT-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000002618951 201538026 /nfs/dbraw/zinc/53/80/26/201538026.db2.gz MAGUSOKLJRRXNZ-JTQLQIEISA-N 0 0 342.307 3.406 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 ZINC000019474572 212031341 /nfs/dbraw/zinc/03/13/41/212031341.db2.gz BAXNVMVWKLYEOI-UHFFFAOYSA-N 0 0 337.129 3.249 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000097083822 203917707 /nfs/dbraw/zinc/91/77/07/203917707.db2.gz GEAUHBPDXMAEAC-GHMZBOCLSA-N 0 0 338.410 3.028 10 5 EGBERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000103362746 204075905 /nfs/dbraw/zinc/07/59/05/204075905.db2.gz GDTKKCPJIPTWSV-SNVBAGLBSA-N 0 0 335.385 3.248 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000105851981 204171060 /nfs/dbraw/zinc/17/10/60/204171060.db2.gz VPAUSDHBVABTNH-CQSZACIVSA-N 0 0 342.399 3.139 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1OCc1sccc1Br ZINC000050517733 204616340 /nfs/dbraw/zinc/61/63/40/204616340.db2.gz BJUUFADMLIMOHA-UHFFFAOYSA-N 0 0 344.186 3.490 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000128281292 205141835 /nfs/dbraw/zinc/14/18/35/205141835.db2.gz INIOGAVSBYNPPX-ZDUSSCGKSA-N 0 0 346.387 3.160 10 5 EGBERN CCc1ccc([C@H](COC)NC(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000133449981 205368381 /nfs/dbraw/zinc/36/83/81/205368381.db2.gz QTRZTFLBKBVIIA-NSHDSACASA-N 0 0 338.385 3.238 10 5 EGBERN CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000133717844 205376088 /nfs/dbraw/zinc/37/60/88/205376088.db2.gz SRRRSQMUNKYHGW-HNNXBMFYSA-N 0 0 332.356 3.176 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000134129728 205393885 /nfs/dbraw/zinc/39/38/85/205393885.db2.gz ICVLAHLWTSGUMK-GUYCJALGSA-N 0 0 330.388 3.025 10 5 EGBERN COc1ccc(/C=C2\OC(=O)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000000480640 205468334 /nfs/dbraw/zinc/46/83/34/205468334.db2.gz SHLRHXREUNPIDN-CHHVJCJISA-N 0 0 327.292 3.281 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154919660 205966391 /nfs/dbraw/zinc/96/63/91/205966391.db2.gz BODUQPHCKLJMBN-JTQLQIEISA-N 0 0 348.378 3.485 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000161730104 206366576 /nfs/dbraw/zinc/36/65/76/206366576.db2.gz RQGLDUHBDFQTIR-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN COc1cc(C(=O)N2CC=C(c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000377261455 169004012 /nfs/dbraw/zinc/00/40/12/169004012.db2.gz IYJVIGRVKNRKKE-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378403392 169115311 /nfs/dbraw/zinc/11/53/11/169115311.db2.gz YCMXLTVBYXONCP-QWHCGFSZSA-N 0 0 338.429 3.244 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378402892 169115420 /nfs/dbraw/zinc/11/54/20/169115420.db2.gz XFGKSFJNRRVIPC-UHFFFAOYSA-N 0 0 333.731 3.166 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000408376487 169173168 /nfs/dbraw/zinc/17/31/68/169173168.db2.gz SNCJKDALTMIRBH-TVQRCGJNSA-N 0 0 339.189 3.372 10 5 EGBERN CC1(C)CCCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408417451 169176199 /nfs/dbraw/zinc/17/61/99/169176199.db2.gz RKMQTFSUDQUJSX-UHFFFAOYSA-N 0 0 334.372 3.018 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000378647412 169152630 /nfs/dbraw/zinc/15/26/30/169152630.db2.gz QUCPQZTWTVBPAP-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN CC(C)n1ccc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000172096798 206788937 /nfs/dbraw/zinc/78/89/37/206788937.db2.gz PNRKSXDKEWTUFY-GFCCVEGCSA-N 0 0 337.401 3.048 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000176741517 207255948 /nfs/dbraw/zinc/25/59/48/207255948.db2.gz OUVFXLZBNHITKK-ZDUSSCGKSA-N 0 0 343.383 3.212 10 5 EGBERN O=C1[C@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000349241803 285010080 /nfs/dbraw/zinc/01/00/80/285010080.db2.gz IMAUJZPVOJNXEO-CZUORRHYSA-N 0 0 343.383 3.332 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cn1 ZINC000355753104 285127137 /nfs/dbraw/zinc/12/71/37/285127137.db2.gz YPJJISPAGKGCKN-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000191662459 533519316 /nfs/dbraw/zinc/51/93/16/533519316.db2.gz LSIDQJCLGQRARG-LLVKDONJSA-N 0 0 346.305 3.326 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000338087086 141091264 /nfs/dbraw/zinc/09/12/64/141091264.db2.gz DOADIJQUNNQAQL-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ccsc1[C@@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342816074 141150917 /nfs/dbraw/zinc/15/09/17/141150917.db2.gz FVNJPRJVQMJLIB-SECBINFHSA-N 0 0 336.398 3.115 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(C(F)F)c1Cl ZINC000348141515 141237878 /nfs/dbraw/zinc/23/78/78/141237878.db2.gz YMSNSWXLNGVJJV-UHFFFAOYSA-N 0 0 344.705 3.411 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2cc(F)ccc2F)c(F)c1 ZINC000350782652 141266477 /nfs/dbraw/zinc/26/64/77/141266477.db2.gz ZXWLIFNDWAUNAP-UHFFFAOYSA-N 0 0 349.261 3.125 10 5 EGBERN C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000356854857 141355765 /nfs/dbraw/zinc/35/57/65/141355765.db2.gz KESCEQMGYWCBJC-RXMQYKEDSA-N 0 0 341.083 3.494 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cncc(F)c1 ZINC000359592452 141380735 /nfs/dbraw/zinc/38/07/35/141380735.db2.gz RJISFXUXHKPTHT-VIFPVBQESA-N 0 0 328.303 3.101 10 5 EGBERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000128511722 143963055 /nfs/dbraw/zinc/96/30/55/143963055.db2.gz ATOPCYXEGITPED-NSHDSACASA-N 0 0 328.246 3.091 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000171578108 144006943 /nfs/dbraw/zinc/00/69/43/144006943.db2.gz FEIKHYFWSRKITD-UHFFFAOYSA-N 0 0 348.428 3.025 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000172726956 144026957 /nfs/dbraw/zinc/02/69/57/144026957.db2.gz IGGIRUQDKDWIFQ-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000172754288 144027227 /nfs/dbraw/zinc/02/72/27/144027227.db2.gz VIJPOKYCWTWJGV-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000173414583 144041760 /nfs/dbraw/zinc/04/17/60/144041760.db2.gz QWGDZGKOWRZGQK-AWEZNQCLSA-N 0 0 345.424 3.308 10 5 EGBERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175048723 144056755 /nfs/dbraw/zinc/05/67/55/144056755.db2.gz AXVWTUYFONEZHE-BXUZGUMPSA-N 0 0 339.417 3.399 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185304121 144110585 /nfs/dbraw/zinc/11/05/85/144110585.db2.gz XLVJDBGWDZHERV-AWEZNQCLSA-N 0 0 348.742 3.316 10 5 EGBERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187547490 144160478 /nfs/dbraw/zinc/16/04/78/144160478.db2.gz QEUGPTNVQMQBBN-CQSZACIVSA-N 0 0 347.758 3.230 10 5 EGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000344655361 144206165 /nfs/dbraw/zinc/20/61/65/144206165.db2.gz LBSFJPQZTIQKAK-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)n1 ZINC000344661086 144206989 /nfs/dbraw/zinc/20/69/89/144206989.db2.gz KYAPFJHFWBMZSY-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](c1cccnc1)C1CC1 ZINC000351608951 144287450 /nfs/dbraw/zinc/28/74/50/144287450.db2.gz JRUWSOCFCGYRMO-OAHLLOKOSA-N 0 0 330.319 3.402 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351767403 144303821 /nfs/dbraw/zinc/30/38/21/144303821.db2.gz VIKPGJWUJUXLRL-NEPJUHHUSA-N 0 0 326.343 3.122 10 5 EGBERN CN(CC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361740856 144357896 /nfs/dbraw/zinc/35/78/96/144357896.db2.gz MLAGMULLCJEIDJ-LJQANCHMSA-N 0 0 343.427 3.380 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000363837111 144369951 /nfs/dbraw/zinc/36/99/51/144369951.db2.gz VJKKKUDGTDYRKG-MRXNPFEDSA-N 0 0 336.363 3.155 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000374646928 144552552 /nfs/dbraw/zinc/55/25/52/144552552.db2.gz RJHFWSBUCKVBCA-MRXNPFEDSA-N 0 0 340.379 3.298 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374908190 144562002 /nfs/dbraw/zinc/56/20/02/144562002.db2.gz FRVQFZUMMZZYGY-UHFFFAOYSA-N 0 0 342.351 3.273 10 5 EGBERN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341078658 155144396 /nfs/dbraw/zinc/14/43/96/155144396.db2.gz WNHTUXDFGYJGON-QWRGUYRKSA-N 0 0 346.387 3.364 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC[C@@H]1CC1CCC1 ZINC000341341007 155242785 /nfs/dbraw/zinc/24/27/85/155242785.db2.gz ATIHFUOQSNFQPF-HNNXBMFYSA-N 0 0 344.367 3.372 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000119384447 152202526 /nfs/dbraw/zinc/20/25/26/152202526.db2.gz KYAIGUXFPMEVAK-LBPRGKRZSA-N 0 0 338.385 3.153 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000119588547 152215626 /nfs/dbraw/zinc/21/56/26/152215626.db2.gz OPYBXQSKZINYQE-LBPRGKRZSA-N 0 0 329.356 3.395 10 5 EGBERN O=C1Nc2ccccc2[C@H]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122579769 152414879 /nfs/dbraw/zinc/41/48/79/152414879.db2.gz KHXXTPRGDDMKBH-LLVKDONJSA-N 0 0 332.747 3.181 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000152760090 152510164 /nfs/dbraw/zinc/51/01/64/152510164.db2.gz XLZFZNVUWOKFGD-BXKDBHETSA-N 0 0 332.381 3.259 10 5 EGBERN CCc1cc(NC(=O)[C@@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160872093 152767300 /nfs/dbraw/zinc/76/73/00/152767300.db2.gz VVYNRCJBMCXCOD-QGZVFWFLSA-N 0 0 329.356 3.213 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000188661839 153028141 /nfs/dbraw/zinc/02/81/41/153028141.db2.gz OKWLAHDLPMEITD-UHFFFAOYSA-N 0 0 345.424 3.285 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCOCc1ccc(Cl)cc1 ZINC000192718240 153256700 /nfs/dbraw/zinc/25/67/00/153256700.db2.gz BNBGUHMAABRFDK-UHFFFAOYSA-N 0 0 338.795 3.402 10 5 EGBERN CCC[C@H](NCc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000192944835 153268365 /nfs/dbraw/zinc/26/83/65/153268365.db2.gz OANNDCNLFLMFMH-HNNXBMFYSA-N 0 0 325.372 3.269 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(NCc2nnc(-c3ccccc3)s2)c1 ZINC000193476230 153293489 /nfs/dbraw/zinc/29/34/89/153293489.db2.gz CKGKMRJJIXPCBG-UHFFFAOYSA-N 0 0 327.369 3.308 10 5 EGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000195314979 153394364 /nfs/dbraw/zinc/39/43/64/153394364.db2.gz SYOSTSSJKSSCGH-SNVBAGLBSA-N 0 0 335.795 3.390 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)n1nc(C)cc1C ZINC000341640852 155396558 /nfs/dbraw/zinc/39/65/58/155396558.db2.gz NUKJNEOKDJAWFA-LBPRGKRZSA-N 0 0 332.360 3.007 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2[C@H]1C ZINC000340824688 292294533 /nfs/dbraw/zinc/29/45/33/292294533.db2.gz NUHIHKKMJNLMRI-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000341808659 155491825 /nfs/dbraw/zinc/49/18/25/155491825.db2.gz RPZXYJDNYKVRFN-CQSZACIVSA-N 0 0 345.330 3.323 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000344702648 155848656 /nfs/dbraw/zinc/84/86/56/155848656.db2.gz TWERPMQOSSPCMQ-GFCCVEGCSA-N 0 0 348.428 3.305 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000346981535 156228365 /nfs/dbraw/zinc/22/83/65/156228365.db2.gz MEDFHNBLBVCYFO-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN Cc1cc(C)n([C@@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000348912878 156286177 /nfs/dbraw/zinc/28/61/77/156286177.db2.gz ULOJBRFLIAFSDL-JSGCOSHPSA-N 0 0 342.399 3.337 10 5 EGBERN Cc1cc(S(=O)(=O)NCc2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000360114474 156922145 /nfs/dbraw/zinc/92/21/45/156922145.db2.gz HAAZAMAGKAPSJU-UHFFFAOYSA-N 0 0 346.408 3.259 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000365314809 157104068 /nfs/dbraw/zinc/10/40/68/157104068.db2.gz CVVAWRXHCWBNRG-ZDUSSCGKSA-N 0 0 340.383 3.185 10 5 EGBERN COc1cc(N[C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1F ZINC000372789635 157385411 /nfs/dbraw/zinc/38/54/11/157385411.db2.gz YFZMPZZRHJAUTF-LBPRGKRZSA-N 0 0 348.378 3.489 10 5 EGBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000078803526 161783217 /nfs/dbraw/zinc/78/32/17/161783217.db2.gz RHUOVVXITHOHEE-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]1c1ccccc1 ZINC000110444408 162127768 /nfs/dbraw/zinc/12/77/68/162127768.db2.gz PELFRIQIJHXBQF-CVEARBPZSA-N 0 0 340.379 3.284 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000111098713 162143600 /nfs/dbraw/zinc/14/36/00/162143600.db2.gz RDEHOYUTJQJZLA-UHFFFAOYSA-N 0 0 344.396 3.124 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)Cc1ccccc1 ZINC000112007266 162159334 /nfs/dbraw/zinc/15/93/34/162159334.db2.gz DENWTTFFWJHFHA-CYBMUJFWSA-N 0 0 328.368 3.098 10 5 EGBERN COc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000125397407 162271940 /nfs/dbraw/zinc/27/19/40/162271940.db2.gz RGFIEWPMBYRNGH-UHFFFAOYSA-N 0 0 344.367 3.111 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(F)c1 ZINC000126469085 162304781 /nfs/dbraw/zinc/30/47/81/162304781.db2.gz FBBXHSDTCPTXMD-QGZVFWFLSA-N 0 0 332.331 3.013 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)c1 ZINC000134860917 162502868 /nfs/dbraw/zinc/50/28/68/162502868.db2.gz RCUORHTUGZGYSJ-AWEZNQCLSA-N 0 0 348.790 3.230 10 5 EGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000180973390 162768350 /nfs/dbraw/zinc/76/83/50/162768350.db2.gz JWLUPBSVSKTDCE-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN C[C@@H](Nc1ccncc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000340152137 163491723 /nfs/dbraw/zinc/49/17/23/163491723.db2.gz RGEJWOIGXKHKMR-SECBINFHSA-N 0 0 333.298 3.330 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2ccc(CO)cc2)c1 ZINC000340604588 163620714 /nfs/dbraw/zinc/62/07/14/163620714.db2.gz AYMVPUTVNFFTDQ-UHFFFAOYSA-N 0 0 337.173 3.462 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc([C@@H](C)OC)c2)n1 ZINC000342092625 163784074 /nfs/dbraw/zinc/78/40/74/163784074.db2.gz LHFRCKFKIBXEFN-SNVBAGLBSA-N 0 0 331.328 3.227 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000344050512 164091248 /nfs/dbraw/zinc/09/12/48/164091248.db2.gz QYZRZAQLLHFXHO-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN Cc1cccc2c1CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000344091719 164101401 /nfs/dbraw/zinc/10/14/01/164101401.db2.gz DRVXCVUMXZPBEM-UHFFFAOYSA-N 0 0 346.333 3.309 10 5 EGBERN Cc1sc(C(=O)NCc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000344321495 164156419 /nfs/dbraw/zinc/15/64/19/164156419.db2.gz SPHWAOJWYZQLGD-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN CCc1noc(C)c1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354818423 166039783 /nfs/dbraw/zinc/03/97/83/166039783.db2.gz BQVQMBAASUSWQZ-UHFFFAOYSA-N 0 0 331.372 3.048 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3nccc4ccccc43)no2)n1 ZINC000345794028 164267268 /nfs/dbraw/zinc/26/72/68/164267268.db2.gz WUOLNBGUHFGANB-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN O=C(NC[C@H]1CCCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000345859639 164281201 /nfs/dbraw/zinc/28/12/01/164281201.db2.gz ONZXGNDNCARSHA-SECBINFHSA-N 0 0 348.346 3.487 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1oc(C)nc1C ZINC000346123063 164342463 /nfs/dbraw/zinc/34/24/63/164342463.db2.gz PHGJWLXARFRRIP-UHFFFAOYSA-N 0 0 339.735 3.252 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)(C)c3ccccc32)n1 ZINC000346227197 164359588 /nfs/dbraw/zinc/35/95/88/164359588.db2.gz TUHYNCHHRAVOIJ-UHFFFAOYSA-N 0 0 328.372 3.139 10 5 EGBERN CCCc1nc(C)c(CNC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)o1 ZINC000346414079 164382603 /nfs/dbraw/zinc/38/26/03/164382603.db2.gz UZNDBOQPPGMJGJ-UHFFFAOYSA-N 0 0 347.371 3.172 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347069914 164440586 /nfs/dbraw/zinc/44/05/86/164440586.db2.gz CKGBCGLGTYOPMR-KZULUSFZSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1cc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1[N+](=O)[O-] ZINC000347183883 164456964 /nfs/dbraw/zinc/45/69/64/164456964.db2.gz LXURUCVEBPZOKJ-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000348046074 164611448 /nfs/dbraw/zinc/61/14/48/164611448.db2.gz MIJPXOYSQQUSPP-INIZCTEOSA-N 0 0 336.363 3.155 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000354917545 166063424 /nfs/dbraw/zinc/06/34/24/166063424.db2.gz GFXAQZQEUJRICW-DYVFJYSZSA-N 0 0 343.383 3.079 10 5 EGBERN CCSCC[C@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000349584262 164899752 /nfs/dbraw/zinc/89/97/52/164899752.db2.gz SFLOLGCHBNBPED-LBPRGKRZSA-N 0 0 349.460 3.358 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351896968 165140783 /nfs/dbraw/zinc/14/07/83/165140783.db2.gz JTVFCGFZRQMXEH-KBPBESRZSA-N 0 0 340.807 3.117 10 5 EGBERN COc1cc(CNc2cc(NC(C)=O)ccc2C)ccc1[N+](=O)[O-] ZINC000352021293 165195406 /nfs/dbraw/zinc/19/54/06/165195406.db2.gz OLLMJRDTFDIESH-UHFFFAOYSA-N 0 0 329.356 3.482 10 5 EGBERN COc1cc(CNc2ccccc2O[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352028093 165199239 /nfs/dbraw/zinc/19/92/39/165199239.db2.gz SNNVMWLQAVMQRA-AWEZNQCLSA-N 0 0 344.367 3.383 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355216581 166137227 /nfs/dbraw/zinc/13/72/27/166137227.db2.gz BCKBGQWCOTWCFX-SJKOYZFVSA-N 0 0 345.399 3.137 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000355378807 166179855 /nfs/dbraw/zinc/17/98/55/166179855.db2.gz ZSNQKUXQDMFICV-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000355398558 166184524 /nfs/dbraw/zinc/18/45/24/166184524.db2.gz ZWURPPSONYIAIK-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN Cn1c(-c2nc(CSc3ccc(F)cc3)no2)ccc1[N+](=O)[O-] ZINC000355528842 166232823 /nfs/dbraw/zinc/23/28/23/166232823.db2.gz JKDNJHAZZZKKGE-UHFFFAOYSA-N 0 0 334.332 3.415 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2nn(C)c3ccccc23)n1 ZINC000355792544 166311348 /nfs/dbraw/zinc/31/13/48/166311348.db2.gz ZWKNBTSJWPEROU-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN COc1cc(C(=O)Nc2ncc(C(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000355883573 166337288 /nfs/dbraw/zinc/33/72/88/166337288.db2.gz XERKLJSMVPVVCK-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000355944070 166354959 /nfs/dbraw/zinc/35/49/59/166354959.db2.gz QOOFNKVFIHTEQT-AGIUHOORSA-N 0 0 348.399 3.278 10 5 EGBERN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1Cc2ccccc21 ZINC000355955556 166358326 /nfs/dbraw/zinc/35/83/26/166358326.db2.gz OCOIKGQEGRAWDG-SFHVURJKSA-N 0 0 333.347 3.367 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000356743154 166498048 /nfs/dbraw/zinc/49/80/48/166498048.db2.gz WUPHMEDUUXPCSV-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN COc1c(C(=O)NCc2ccc(C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000357053518 166572855 /nfs/dbraw/zinc/57/28/55/166572855.db2.gz SOIFASUYTNDDQM-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000357816862 166782627 /nfs/dbraw/zinc/78/26/27/166782627.db2.gz HNSMNFKWZXPAFM-UHFFFAOYSA-N 0 0 331.376 3.002 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000358442794 166865562 /nfs/dbraw/zinc/86/55/62/166865562.db2.gz JZUKBUNIIJPARX-HZPDHXFCSA-N 0 0 325.368 3.259 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000358524359 166888865 /nfs/dbraw/zinc/88/88/65/166888865.db2.gz UTBHQBFIALLSGW-SECBINFHSA-N 0 0 332.200 3.339 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(O)c1 ZINC000358903954 167000667 /nfs/dbraw/zinc/00/06/67/167000667.db2.gz PMLZVJJZGZERGM-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000358912534 167003247 /nfs/dbraw/zinc/00/32/47/167003247.db2.gz YZUHLLPFMKMFHQ-UHFFFAOYSA-N 0 0 348.305 3.395 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000358941332 167014499 /nfs/dbraw/zinc/01/44/99/167014499.db2.gz QUZDICQAXMIQDS-ZDUSSCGKSA-N 0 0 345.399 3.436 10 5 EGBERN O=C(Nc1ccc(Cl)cn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358957745 167019009 /nfs/dbraw/zinc/01/90/09/167019009.db2.gz KJHUNIRVISCNBS-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN Cc1nn(CC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000359060571 167054767 /nfs/dbraw/zinc/05/47/67/167054767.db2.gz HXSNCOHMLPOKTE-UHFFFAOYSA-N 0 0 327.262 3.310 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000359076908 167059780 /nfs/dbraw/zinc/05/97/80/167059780.db2.gz MYOIERYDUAWTRO-CYBMUJFWSA-N 0 0 327.340 3.054 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359084394 167062481 /nfs/dbraw/zinc/06/24/81/167062481.db2.gz QPLZMNKDCAEBCI-UHFFFAOYSA-N 0 0 342.399 3.067 10 5 EGBERN Cc1ccc(F)cc1C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000359123169 167074133 /nfs/dbraw/zinc/07/41/33/167074133.db2.gz HQKNAPMLEIBXGF-LLVKDONJSA-N 0 0 330.315 3.102 10 5 EGBERN COc1ccc(OCCSCc2ccnc(C)n2)c([N+](=O)[O-])c1 ZINC000359145671 167080756 /nfs/dbraw/zinc/08/07/56/167080756.db2.gz QKTSUXWPLVBWDT-UHFFFAOYSA-N 0 0 335.385 3.014 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359190856 167091599 /nfs/dbraw/zinc/09/15/99/167091599.db2.gz FENQJYYUOAEQFI-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359196512 167093601 /nfs/dbraw/zinc/09/36/01/167093601.db2.gz LULGUZBAHLFZST-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cncc(C(F)(F)F)c2)cc1CO ZINC000359393600 167143975 /nfs/dbraw/zinc/14/39/75/167143975.db2.gz PENXYUJHMJMNRU-UHFFFAOYSA-N 0 0 328.246 3.080 10 5 EGBERN COc1cc(C(=O)Nc2ccc3nc(C)cn3c2)cc([N+](=O)[O-])c1C ZINC000359521776 167178500 /nfs/dbraw/zinc/17/85/00/167178500.db2.gz DIVLIVNJWQKTJK-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN Cc1cc(NCCCc2nnc3ccccn32)c(F)cc1[N+](=O)[O-] ZINC000359900619 167262801 /nfs/dbraw/zinc/26/28/01/167262801.db2.gz PAOJFOKZHNBMNA-UHFFFAOYSA-N 0 0 329.335 3.130 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000360650588 167379742 /nfs/dbraw/zinc/37/97/42/167379742.db2.gz YSUMHGUGEOZPSY-QWHCGFSZSA-N 0 0 326.418 3.288 10 5 EGBERN Cc1ccc(CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000361029156 167490415 /nfs/dbraw/zinc/49/04/15/167490415.db2.gz HWSUPNINNHKTFN-UHFFFAOYSA-N 0 0 334.322 3.383 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000362871496 167854173 /nfs/dbraw/zinc/85/41/73/167854173.db2.gz BAPWOFJXWGHRKZ-YOEHRIQHSA-N 0 0 342.395 3.074 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000365165304 168030628 /nfs/dbraw/zinc/03/06/28/168030628.db2.gz UDZPFVWIQABPJY-AWEZNQCLSA-N 0 0 343.387 3.051 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000365798491 168044689 /nfs/dbraw/zinc/04/46/89/168044689.db2.gz VJVIFMKAHYAANQ-UHFFFAOYSA-N 0 0 342.355 3.278 10 5 EGBERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366128572 168086610 /nfs/dbraw/zinc/08/66/10/168086610.db2.gz SHJPYSHOIVEGJJ-BZNIZROVSA-N 0 0 329.331 3.352 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366189184 168091873 /nfs/dbraw/zinc/09/18/73/168091873.db2.gz DHYLLNOFCDFBFV-UONOGXRCSA-N 0 0 325.368 3.316 10 5 EGBERN COc1cc(N2CCc3ccc(C(C)=O)cc3CC2)ccc1[N+](=O)[O-] ZINC000366820950 168144646 /nfs/dbraw/zinc/14/46/46/168144646.db2.gz AHAAXWYDLYTELO-UHFFFAOYSA-N 0 0 340.379 3.411 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@]23CCOC3)ccc1Br ZINC000367459990 168228499 /nfs/dbraw/zinc/22/84/99/168228499.db2.gz XOHAKANBPMMYHD-CQSZACIVSA-N 0 0 341.205 3.112 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000367563745 168242210 /nfs/dbraw/zinc/24/22/10/168242210.db2.gz MMOBAERCRFMZEB-YJBOKZPZSA-N 0 0 340.379 3.411 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000367904563 168282609 /nfs/dbraw/zinc/28/26/09/168282609.db2.gz PIYGNCSDZRYLLM-LBPRGKRZSA-N 0 0 347.396 3.176 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000367907682 168283371 /nfs/dbraw/zinc/28/33/71/168283371.db2.gz UEFXPCZBEFHBNH-CYBMUJFWSA-N 0 0 331.397 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160575754 225436748 /nfs/dbraw/zinc/43/67/48/225436748.db2.gz BDVVTUPKXAYHOB-CRAIPNDOSA-N 0 0 328.368 3.419 10 5 EGBERN Cc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000123893511 222348523 /nfs/dbraw/zinc/34/85/23/222348523.db2.gz BJPHFDBIBZZAGO-CYBMUJFWSA-N 0 0 348.424 3.350 10 5 EGBERN C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124036844 222366713 /nfs/dbraw/zinc/36/67/13/222366713.db2.gz WDINOYMDFFCWJW-RYUDHWBXSA-N 0 0 326.418 3.237 10 5 EGBERN CC1CCC(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124037582 222367263 /nfs/dbraw/zinc/36/72/63/222367263.db2.gz ATBNXHPTAVGMCJ-UHFFFAOYSA-N 0 0 326.418 3.237 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000171832972 227306365 /nfs/dbraw/zinc/30/63/65/227306365.db2.gz LVSMQNNKLBDCAI-RDJZCZTQSA-N 0 0 325.368 3.198 10 5 EGBERN CC[C@H](NC(=O)NCCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000090073655 264714405 /nfs/dbraw/zinc/71/44/05/264714405.db2.gz YBTGMYRPSOFQNU-INIZCTEOSA-N 0 0 345.403 3.009 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000173845946 265006874 /nfs/dbraw/zinc/00/68/74/265006874.db2.gz PXJOPYVASIGTSC-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175206428 265101103 /nfs/dbraw/zinc/10/11/03/265101103.db2.gz SOZKZTSCTLLCAM-AWEZNQCLSA-N 0 0 349.431 3.440 10 5 EGBERN COc1ccc(CCNC(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000177813469 265278702 /nfs/dbraw/zinc/27/87/02/265278702.db2.gz YEIKPCMKWVFWPT-UHFFFAOYSA-N 0 0 340.788 3.291 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000177895643 265284389 /nfs/dbraw/zinc/28/43/89/265284389.db2.gz LQKXXGYQPHRAMM-JTQLQIEISA-N 0 0 335.385 3.249 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178702731 265337015 /nfs/dbraw/zinc/33/70/15/265337015.db2.gz PNIAROSEMLERLZ-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000179317474 265373003 /nfs/dbraw/zinc/37/30/03/265373003.db2.gz UHIHQDBGFKLYHH-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN CCCCOc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191568456 265915930 /nfs/dbraw/zinc/91/59/30/265915930.db2.gz KDGWJYQMIOBKOA-UHFFFAOYSA-N 0 0 332.360 3.242 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193398494 266028490 /nfs/dbraw/zinc/02/84/90/266028490.db2.gz GZXHEJXGOUDXPY-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1C ZINC000193482008 266037250 /nfs/dbraw/zinc/03/72/50/266037250.db2.gz GEDOQDJJFYKESD-UHFFFAOYSA-N 0 0 345.380 3.494 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1F ZINC000193887983 266071779 /nfs/dbraw/zinc/07/17/79/266071779.db2.gz FMRJBPHZZKSJJP-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CC[C@H](NC(=O)c1nc2cccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000193975778 266081407 /nfs/dbraw/zinc/08/14/07/266081407.db2.gz SGYMCSZZXMVHRU-LBPRGKRZSA-N 0 0 342.380 3.481 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3C)CCC2)n1 ZINC000269700647 266342763 /nfs/dbraw/zinc/34/27/63/266342763.db2.gz MAGVGWSWYJKWPO-UHFFFAOYSA-N 0 0 345.424 3.406 10 5 EGBERN C[C@@H](c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1)C1CC1 ZINC000274000887 267162586 /nfs/dbraw/zinc/16/25/86/267162586.db2.gz NQAQETOYQUFUNM-MRVPVSSYSA-N 0 0 326.312 3.412 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCCOC(C)C ZINC000275765015 267422080 /nfs/dbraw/zinc/42/20/80/267422080.db2.gz GVQOHJIVCSJFAQ-UHFFFAOYSA-N 0 0 328.796 3.492 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000275909813 267448968 /nfs/dbraw/zinc/44/89/68/267448968.db2.gz VZLRIJIQTKHNDP-GXTWGEPZSA-N 0 0 340.807 3.490 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N(C)C2(CCCCC2)C1=O ZINC000278056980 267933713 /nfs/dbraw/zinc/93/37/13/267933713.db2.gz WWNJMZXTJAZCJA-GFCCVEGCSA-N 0 0 331.372 3.253 10 5 EGBERN Cc1sc(C(=O)NCCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000046730713 275138599 /nfs/dbraw/zinc/13/85/99/275138599.db2.gz DFILGVUNPUVQDB-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3C)n[nH]2)cc1 ZINC000111073267 275182438 /nfs/dbraw/zinc/18/24/38/275182438.db2.gz MZWSMVBUMJSKKJ-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN CC(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000119161463 275189807 /nfs/dbraw/zinc/18/98/07/275189807.db2.gz GPCNCZSPEJEECT-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC000188617933 275218731 /nfs/dbraw/zinc/21/87/31/275218731.db2.gz QWBQYLZKFHVZQT-JTQLQIEISA-N 0 0 330.369 3.103 10 5 EGBERN C[C@H]1COCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194831867 275227558 /nfs/dbraw/zinc/22/75/58/275227558.db2.gz BCKXABFHDIXSKW-WCBMZHEXSA-N 0 0 332.278 3.225 10 5 EGBERN C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000271919638 275241538 /nfs/dbraw/zinc/24/15/38/275241538.db2.gz DJCPPTQBZATAAU-XHDPSFHLSA-N 0 0 329.356 3.264 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC000279875445 275368711 /nfs/dbraw/zinc/36/87/11/275368711.db2.gz TVJDPEAYFMCSDS-RGCHEUQESA-N 0 0 332.400 3.150 10 5 EGBERN CC[C@@](C)(OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280489300 275456574 /nfs/dbraw/zinc/45/65/74/275456574.db2.gz CYTYNBMNGBGQGA-CYBMUJFWSA-N 0 0 345.193 3.419 10 5 EGBERN CCO[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280832778 275499556 /nfs/dbraw/zinc/49/95/56/275499556.db2.gz XYHOLHUTLBOZET-MRVPVSSYSA-N 0 0 331.166 3.029 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCCSC)c1cccc([N+](=O)[O-])c1 ZINC000281939677 275590187 /nfs/dbraw/zinc/59/01/87/275590187.db2.gz QMMKLYCUOOZRBG-CQSZACIVSA-N 0 0 325.434 3.440 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000283564020 275734404 /nfs/dbraw/zinc/73/44/04/275734404.db2.gz PYQXCTXBSAPBGU-RWYTXXIDSA-N 0 0 343.177 3.109 10 5 EGBERN CCOC1CC2(C1)CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)C2 ZINC000286432863 276000017 /nfs/dbraw/zinc/00/00/17/276000017.db2.gz QTJNNIBHUHMDCN-UHFFFAOYSA-N 0 0 348.399 3.085 10 5 EGBERN CCN(CC)C(=S)Sc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000286956426 276062840 /nfs/dbraw/zinc/06/28/40/276062840.db2.gz MWULHPSDVBMBBV-UHFFFAOYSA-N 0 0 342.442 3.409 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000287778806 276156284 /nfs/dbraw/zinc/15/62/84/276156284.db2.gz IKFVXFMYOBQSQA-VIFPVBQESA-N 0 0 336.373 3.023 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000287778805 276156285 /nfs/dbraw/zinc/15/62/85/276156285.db2.gz IKFVXFMYOBQSQA-SECBINFHSA-N 0 0 336.373 3.023 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000288290622 276197884 /nfs/dbraw/zinc/19/78/84/276197884.db2.gz HFWFSYDNUPICIE-MLGOLLRUSA-N 0 0 343.387 3.316 10 5 EGBERN CCC(=O)c1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000373545839 276205439 /nfs/dbraw/zinc/20/54/39/276205439.db2.gz GITWRFJNJAMDJB-AWEZNQCLSA-N 0 0 340.383 3.362 10 5 EGBERN CCC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000178585717 276220140 /nfs/dbraw/zinc/22/01/40/276220140.db2.gz OGGLOPVPMFMHEP-UHFFFAOYSA-N 0 0 331.416 3.260 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000288516998 276222777 /nfs/dbraw/zinc/22/27/77/276222777.db2.gz UESQWOYZBZBUGW-LJTDUEICSA-N 0 0 328.290 3.455 10 5 EGBERN CN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000288587258 276231367 /nfs/dbraw/zinc/23/13/67/276231367.db2.gz CTUXQOCMTJUWPF-AWEZNQCLSA-N 0 0 325.368 3.463 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000289864985 276408674 /nfs/dbraw/zinc/40/86/74/276408674.db2.gz RGKSOJLWGDCBQI-AWEZNQCLSA-N 0 0 343.387 3.090 10 5 EGBERN CCc1csc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000342054628 276698041 /nfs/dbraw/zinc/69/80/41/276698041.db2.gz UJXMWRWSIZSJMD-UHFFFAOYSA-N 0 0 327.312 3.073 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(C)(C)O)s1 ZINC000291880408 276703092 /nfs/dbraw/zinc/70/30/92/276703092.db2.gz IMYFEYYNQOGAEE-CSKARUKUSA-N 0 0 347.396 3.321 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000292030528 276723400 /nfs/dbraw/zinc/72/34/00/276723400.db2.gz CTCQHBOQORYYLS-LBPRGKRZSA-N 0 0 328.796 3.052 10 5 EGBERN C[C@@H]1CCC2=C(C1)S[C@H]1N=C(c3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H]21 ZINC000229930132 277670740 /nfs/dbraw/zinc/67/07/40/277670740.db2.gz TVRAEWKKMVAULM-ZXJZVJERSA-N 0 0 343.408 3.234 10 5 EGBERN C[C@@H]1c2ccccc2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354532555 278109021 /nfs/dbraw/zinc/10/90/21/278109021.db2.gz BPCLQULNFVJCQL-SECBINFHSA-N 0 0 338.410 3.141 10 5 EGBERN Cc1nn(C)c(C)c1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000347428700 279194049 /nfs/dbraw/zinc/19/40/49/279194049.db2.gz MIYPXDKVGNSODN-UHFFFAOYSA-N 0 0 340.181 3.155 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189790791 280209439 /nfs/dbraw/zinc/20/94/39/280209439.db2.gz HMKURCITJQEAGE-UHFFFAOYSA-N 0 0 338.363 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(C2)CCCOC3)nc1-c1ccc(F)cc1 ZINC000340963029 280365749 /nfs/dbraw/zinc/36/57/49/280365749.db2.gz JWSUBTSOZPRADU-UHFFFAOYSA-N 0 0 343.358 3.413 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccn21 ZINC000024059815 280390521 /nfs/dbraw/zinc/39/05/21/280390521.db2.gz QFLIUARBPDFKFC-BFHYXJOUSA-N 0 0 342.399 3.374 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000374539440 281400421 /nfs/dbraw/zinc/40/04/21/281400421.db2.gz WQRXEBVMVAPWPC-KRWDZBQOSA-N 0 0 341.346 3.021 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000368926505 281672202 /nfs/dbraw/zinc/67/22/02/281672202.db2.gz XOEKDYTUUFCJCV-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN Cc1nc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000268476493 281945650 /nfs/dbraw/zinc/94/56/50/281945650.db2.gz KNQDIJDWUVLXMA-MEDUHNTESA-N 0 0 331.347 3.404 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000360638530 282031624 /nfs/dbraw/zinc/03/16/24/282031624.db2.gz OCVBBHLGZCYCGX-ZDUSSCGKSA-N 0 0 335.360 3.306 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000267262738 288393937 /nfs/dbraw/zinc/39/39/37/288393937.db2.gz KTJHUJFTULSGDV-YPMHNXCESA-N 0 0 344.396 3.270 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000359854439 288960216 /nfs/dbraw/zinc/96/02/16/288960216.db2.gz KDKQVELVFCWOPO-BDAKNGLRSA-N 0 0 326.278 3.315 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000105856448 293004764 /nfs/dbraw/zinc/00/47/64/293004764.db2.gz AWEDXTJKOPMGTM-CYBMUJFWSA-N 0 0 348.790 3.230 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000368457050 295348906 /nfs/dbraw/zinc/34/89/06/295348906.db2.gz GBUOKLSWSUHRQH-QGZVFWFLSA-N 0 0 333.363 3.279 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000341026271 303731275 /nfs/dbraw/zinc/73/12/75/303731275.db2.gz BERZXIVYQWMQPL-AWEZNQCLSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067466294 307365970 /nfs/dbraw/zinc/36/59/70/307365970.db2.gz DYJKZIHNWJFZOR-ZDUSSCGKSA-N 0 0 346.358 3.250 10 5 EGBERN CCOc1c(F)cccc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000074238146 307391770 /nfs/dbraw/zinc/39/17/70/307391770.db2.gz HXEYAKASPUTRIE-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](C)c2nc(C)cs2)c1[N+](=O)[O-] ZINC000077963649 307415515 /nfs/dbraw/zinc/41/55/15/307415515.db2.gz LUOBBBWAVYQRQE-VIFPVBQESA-N 0 0 336.373 3.105 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCC[C@H]1C1CC1 ZINC000413876739 309051078 /nfs/dbraw/zinc/05/10/78/309051078.db2.gz KSRQRQJLEIEFIN-YPMHNXCESA-N 0 0 338.354 3.358 10 5 EGBERN COCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc2o1 ZINC000079690373 307428096 /nfs/dbraw/zinc/42/80/96/307428096.db2.gz SHKHVPQFXJLNNX-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)s1 ZINC000084605871 307444834 /nfs/dbraw/zinc/44/48/34/307444834.db2.gz XIZJPHRAAPFEHG-UHFFFAOYSA-N 0 0 348.405 3.288 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CS1 ZINC000413944835 309053591 /nfs/dbraw/zinc/05/35/91/309053591.db2.gz FFKKEBIZCZFJET-HTQZYQBOSA-N 0 0 334.319 3.237 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000125776624 307559292 /nfs/dbraw/zinc/55/92/92/307559292.db2.gz GJVQEJJDHFCCBE-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OC)n1 ZINC000127883794 307591944 /nfs/dbraw/zinc/59/19/44/307591944.db2.gz XTFLNEANNVQQFC-UHFFFAOYSA-N 0 0 347.396 3.040 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128886544 307606974 /nfs/dbraw/zinc/60/69/74/307606974.db2.gz ANUDICJVTTVOTL-MLGOLLRUSA-N 0 0 340.379 3.452 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCCc3ccccc32)c1 ZINC000151745300 307738372 /nfs/dbraw/zinc/73/83/72/307738372.db2.gz GUUFVJCSWAWNEN-UHFFFAOYSA-N 0 0 346.408 3.268 10 5 EGBERN Cc1cccc(C(C)(C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000154083898 307787882 /nfs/dbraw/zinc/78/78/82/307787882.db2.gz ORDYRBBDXMNKOF-UHFFFAOYSA-N 0 0 348.424 3.258 10 5 EGBERN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000160341307 307888396 /nfs/dbraw/zinc/88/83/96/307888396.db2.gz DOKXLBCDIYTPLN-JTQLQIEISA-N 0 0 335.360 3.098 10 5 EGBERN CCc1cccc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000414457497 309081475 /nfs/dbraw/zinc/08/14/75/309081475.db2.gz LFXAFWZBHJPDBM-UHFFFAOYSA-N 0 0 334.397 3.123 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCCC[C@H]3OC)n2)c1 ZINC000293093150 308098716 /nfs/dbraw/zinc/09/87/16/308098716.db2.gz FFRVFIBQWVTECG-UKRRQHHQSA-N 0 0 347.371 3.250 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414468322 309081975 /nfs/dbraw/zinc/08/19/75/309081975.db2.gz CUOBYIJVWZKEGJ-WBMJQRKESA-N 0 0 332.381 3.199 10 5 EGBERN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000294577493 308234180 /nfs/dbraw/zinc/23/41/80/308234180.db2.gz KMUYRMCQKASGMF-AWEZNQCLSA-N 0 0 336.432 3.310 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294825097 308261399 /nfs/dbraw/zinc/26/13/99/308261399.db2.gz DCTILNCHHIZEEP-OCCSQVGLSA-N 0 0 326.780 3.070 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CCC(O)CC2)CC1 ZINC000294989548 308279318 /nfs/dbraw/zinc/27/93/18/308279318.db2.gz QJSFJPNGYZHBPZ-UHFFFAOYSA-N 0 0 332.400 3.319 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000295263881 308308813 /nfs/dbraw/zinc/30/88/13/308308813.db2.gz YJJCPCVUZNGJLY-UHFFFAOYSA-N 0 0 347.396 3.199 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@](C)(F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000295638668 308346061 /nfs/dbraw/zinc/34/60/61/308346061.db2.gz SUQXNZYDLPYNLG-OAHLLOKOSA-N 0 0 339.323 3.084 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000295648596 308346863 /nfs/dbraw/zinc/34/68/63/308346863.db2.gz UMYLLVHPOCYPJJ-GOSISDBHSA-N 0 0 349.406 3.162 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295742119 308355626 /nfs/dbraw/zinc/35/56/26/308355626.db2.gz ANTWVLHARGYMAC-LBPRGKRZSA-N 0 0 344.820 3.024 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296140860 308397853 /nfs/dbraw/zinc/39/78/53/308397853.db2.gz PMSGEDRQPWHGJU-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297744978 308560303 /nfs/dbraw/zinc/56/03/03/308560303.db2.gz LDNWNBNMJQWMSO-IUCAKERBSA-N 0 0 332.282 3.185 10 5 EGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301057027 308686525 /nfs/dbraw/zinc/68/65/25/308686525.db2.gz AHTGAIDHORGIPL-UHFFFAOYSA-N 0 0 348.790 3.132 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000301058455 308686675 /nfs/dbraw/zinc/68/66/75/308686675.db2.gz AZOVLDMJLAGZEJ-GQCTYLIASA-N 0 0 333.369 3.158 10 5 EGBERN Cn1cc(C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cn1 ZINC000301229059 308692558 /nfs/dbraw/zinc/69/25/58/308692558.db2.gz GSDHLZSSNOBPOU-UHFFFAOYSA-N 0 0 337.383 3.261 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000301255489 308693784 /nfs/dbraw/zinc/69/37/84/308693784.db2.gz BIZACJLIJBKNPY-LLVKDONJSA-N 0 0 331.347 3.137 10 5 EGBERN COc1cc(N[C@H]2COc3c(cccc3OC)C2)c([N+](=O)[O-])cc1F ZINC000301609010 308707102 /nfs/dbraw/zinc/70/71/02/308707102.db2.gz AQKVNLQKPKUZFK-LLVKDONJSA-N 0 0 348.330 3.167 10 5 EGBERN COC(=O)c1cc(NC[C@@]2(C)CCCC[C@@H]2O)cc(C)c1[N+](=O)[O-] ZINC000301668943 308710008 /nfs/dbraw/zinc/71/00/08/308710008.db2.gz DNXOLTQELAMOPG-WMLDXEAASA-N 0 0 336.388 3.043 10 5 EGBERN CO[C@H]1CCC[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000301771564 308714661 /nfs/dbraw/zinc/71/46/61/308714661.db2.gz JRQXMQSEMZSXJY-KBPBESRZSA-N 0 0 335.404 3.103 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3cccc(C(F)(F)F)c3)nn21 ZINC000301826167 308717098 /nfs/dbraw/zinc/71/70/98/308717098.db2.gz FAYITFZGGDOAHE-UHFFFAOYSA-N 0 0 337.261 3.268 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2nc(C)sc2C)c([N+](=O)[O-])c1 ZINC000301831469 308717380 /nfs/dbraw/zinc/71/73/80/308717380.db2.gz IJXPRLCOTCHMER-FNORWQNLSA-N 0 0 347.396 3.466 10 5 EGBERN C[C@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000301954920 308723026 /nfs/dbraw/zinc/72/30/26/308723026.db2.gz JYRDLBDYOKJOAM-JVXZTZIISA-N 0 0 338.713 3.474 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964140 308723233 /nfs/dbraw/zinc/72/32/33/308723233.db2.gz JKKMDNFZOPUGBV-AWEZNQCLSA-N 0 0 325.372 3.095 10 5 EGBERN C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](c2ccco2)C1 ZINC000302075919 308728142 /nfs/dbraw/zinc/72/81/42/308728142.db2.gz XYONXSBFPISUNH-NWDGAFQWSA-N 0 0 327.344 3.208 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1ccc(Br)o1 ZINC000302078970 308728405 /nfs/dbraw/zinc/72/84/05/308728405.db2.gz ZKGFUFKCGUDNQL-UHFFFAOYSA-N 0 0 341.161 3.097 10 5 EGBERN COC(=O)c1cnc(N(C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000302663407 308741394 /nfs/dbraw/zinc/74/13/94/308741394.db2.gz BOGGLNMRQFMJOB-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000302788032 308745833 /nfs/dbraw/zinc/74/58/33/308745833.db2.gz BSHBYYXQHWFWFT-SFHVURJKSA-N 0 0 345.374 3.219 10 5 EGBERN Cc1cc(CNc2c(C)cc([N+](=O)[O-])cc2Cl)nc(N(C)C)n1 ZINC000302819182 308746771 /nfs/dbraw/zinc/74/67/71/308746771.db2.gz JHKVCIRBSSIYMB-UHFFFAOYSA-N 0 0 335.795 3.333 10 5 EGBERN Cc1cc(NCC2=CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000397829986 308904829 /nfs/dbraw/zinc/90/48/29/308904829.db2.gz QYUIXOQSBPUHER-UHFFFAOYSA-N 0 0 327.178 3.424 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411531932 308943208 /nfs/dbraw/zinc/94/32/08/308943208.db2.gz YRRIUDRNTZLMPK-QAPCUYQASA-N 0 0 344.342 3.105 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411753952 308951535 /nfs/dbraw/zinc/95/15/35/308951535.db2.gz GXVBVGNFHVVIJF-UHFFFAOYSA-N 0 0 346.387 3.487 10 5 EGBERN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC(C)(C)C1 ZINC000412810898 309004017 /nfs/dbraw/zinc/00/40/17/309004017.db2.gz KXIFUNUXCHHQPJ-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413239863 309023098 /nfs/dbraw/zinc/02/30/98/309023098.db2.gz USIGPSGANNYGQD-ZDUSSCGKSA-N 0 0 330.363 3.234 10 5 EGBERN CCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(C)(C)C1 ZINC000413484597 309034027 /nfs/dbraw/zinc/03/40/27/309034027.db2.gz DZXVTJKLZUIFFK-UHFFFAOYSA-N 0 0 345.403 3.191 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccco2)c(C)cc1[N+](=O)[O-] ZINC000416383846 309170559 /nfs/dbraw/zinc/17/05/59/309170559.db2.gz MPJUQOGGXHNUOE-GFCCVEGCSA-N 0 0 338.385 3.186 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000416432769 309171719 /nfs/dbraw/zinc/17/17/19/309171719.db2.gz LSOLXSMQNOWQMF-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3C)no2)C1 ZINC000420501193 309288545 /nfs/dbraw/zinc/28/85/45/309288545.db2.gz NVNVACNTJQHGNR-WDEREUQCSA-N 0 0 331.328 3.010 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000420615838 309290284 /nfs/dbraw/zinc/29/02/84/309290284.db2.gz FPVRJKNUUSLBSX-PSASIEDQSA-N 0 0 330.182 3.122 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420628742 309290860 /nfs/dbraw/zinc/29/08/60/309290860.db2.gz PYMHXUYSYQUVLC-SFHVURJKSA-N 0 0 343.358 3.077 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000421036097 309309641 /nfs/dbraw/zinc/30/96/41/309309641.db2.gz FAMUYIPNMDONNF-KOLCDFICSA-N 0 0 327.768 3.327 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000421783525 309339871 /nfs/dbraw/zinc/33/98/71/309339871.db2.gz GASUTHOKWIRKKA-HNNXBMFYSA-N 0 0 346.408 3.487 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@@H](CC)O[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000421959077 309348059 /nfs/dbraw/zinc/34/80/59/309348059.db2.gz SGVPBBRSJHIHTB-ZIAGYGMSSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1nn(C)c(C)c1OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000424092395 309429161 /nfs/dbraw/zinc/42/91/61/309429161.db2.gz OUHDLGWLIJQEMY-UHFFFAOYSA-N 0 0 340.177 3.287 10 5 EGBERN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425032623 309462968 /nfs/dbraw/zinc/46/29/68/309462968.db2.gz CLTKXOHSXNRADT-SWLSCSKDSA-N 0 0 348.399 3.177 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000426307825 309504068 /nfs/dbraw/zinc/50/40/68/309504068.db2.gz ATGOFROULHGSHW-JTQLQIEISA-N 0 0 346.305 3.301 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)n1 ZINC000427114656 309522594 /nfs/dbraw/zinc/52/25/94/309522594.db2.gz QLEXDSXEDKHIHV-OAHLLOKOSA-N 0 0 328.372 3.001 10 5 EGBERN CC(C)(NCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429236758 309574737 /nfs/dbraw/zinc/57/47/37/309574737.db2.gz MKLGWIUMELNHOK-UHFFFAOYSA-N 0 0 349.337 3.336 10 5 EGBERN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000429367148 309579715 /nfs/dbraw/zinc/57/97/15/309579715.db2.gz UMEWVZLMKFCQOX-RYUDHWBXSA-N 0 0 339.461 3.124 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CCCC2 ZINC000430246936 309603318 /nfs/dbraw/zinc/60/33/18/309603318.db2.gz GABBNUHEUQMILC-QMTHXVAHSA-N 0 0 338.791 3.464 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430904854 309620461 /nfs/dbraw/zinc/62/04/61/309620461.db2.gz BBAHAFROTASLSZ-NSHDSACASA-N 0 0 337.807 3.398 10 5 EGBERN CCc1ccc([C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000431489614 309634175 /nfs/dbraw/zinc/63/41/75/309634175.db2.gz HYNNVKYUDUNWSJ-HNNXBMFYSA-N 0 0 337.383 3.194 10 5 EGBERN COc1ccc(CNC(=O)c2c[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000434514196 309713615 /nfs/dbraw/zinc/71/36/15/309713615.db2.gz ORXDWOJRPZRLJQ-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN Cn1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2cc(F)ccc21 ZINC000435417810 309732291 /nfs/dbraw/zinc/73/22/91/309732291.db2.gz UXAMLARCFLHTJO-UHFFFAOYSA-N 0 0 339.326 3.429 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000438144103 309807943 /nfs/dbraw/zinc/80/79/43/309807943.db2.gz WNTYSWAFZPCTND-RLFDGXBXSA-N 0 0 344.342 3.417 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438146919 309808100 /nfs/dbraw/zinc/80/81/00/309808100.db2.gz GJNMDUIDHFIIDL-QHRIQVFBSA-N 0 0 340.379 3.207 10 5 EGBERN CCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)cs1 ZINC000439170820 309827929 /nfs/dbraw/zinc/82/79/29/309827929.db2.gz PHKHTPHUNPWBOZ-UHFFFAOYSA-N 0 0 335.385 3.321 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439276537 309830267 /nfs/dbraw/zinc/83/02/67/309830267.db2.gz QKEXKNCSKRESGR-VXGBXAGGSA-N 0 0 338.791 3.137 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1c(C)onc1CC ZINC000439890391 309841593 /nfs/dbraw/zinc/84/15/93/309841593.db2.gz CHRQOOSFDZFBTE-UHFFFAOYSA-N 0 0 334.332 3.496 10 5 EGBERN COC(=O)c1cc(NCCc2ccc(OC)cc2)cc(C)c1[N+](=O)[O-] ZINC000440721332 309855390 /nfs/dbraw/zinc/85/53/90/309855390.db2.gz GPYAKXVWPIRTQU-UHFFFAOYSA-N 0 0 344.367 3.353 10 5 EGBERN CCc1nc(C(C)(C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC000441783264 309876447 /nfs/dbraw/zinc/87/64/47/309876447.db2.gz CBJPNHJSJNMRAE-UHFFFAOYSA-N 0 0 347.375 3.214 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2[nH]c(=O)n(C)c2c1 ZINC000442961107 309892416 /nfs/dbraw/zinc/89/24/16/309892416.db2.gz CHDYVPYZWXEPNI-UHFFFAOYSA-N 0 0 342.355 3.198 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443682489 309906903 /nfs/dbraw/zinc/90/69/03/309906903.db2.gz MMFLWGAOGZZCSH-CQSZACIVSA-N 0 0 348.424 3.426 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(C)C)C2)cc1OC ZINC000446330680 309960521 /nfs/dbraw/zinc/96/05/21/309960521.db2.gz JYBLDGXUZRKEFD-LBPRGKRZSA-N 0 0 336.388 3.120 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[C@H]1C(F)(F)F ZINC000448696670 310012987 /nfs/dbraw/zinc/01/29/87/310012987.db2.gz ANNBDZWKSAMSJT-RNFRBKRXSA-N 0 0 340.204 3.333 10 5 EGBERN O=[N+]([O-])c1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000449425319 310061102 /nfs/dbraw/zinc/06/11/02/310061102.db2.gz QAHHLGFNLARTDQ-SJLPKXTDSA-N 0 0 348.349 3.034 10 5 EGBERN COc1ccccc1CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])nc1 ZINC000450408962 310120843 /nfs/dbraw/zinc/12/08/43/310120843.db2.gz VHILXYAZBBAZEQ-MRXNPFEDSA-N 0 0 343.383 3.184 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)[C@H](OC)C1 ZINC000450466631 310124387 /nfs/dbraw/zinc/12/43/87/310124387.db2.gz BAFUOEUZIKVBBI-BDJLRTHQSA-N 0 0 331.372 3.013 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450549086 310129475 /nfs/dbraw/zinc/12/94/75/310129475.db2.gz AFCQRIIRNASYLV-CQSZACIVSA-N 0 0 330.384 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000450657641 310135602 /nfs/dbraw/zinc/13/56/02/310135602.db2.gz LWALNSCJKIDZCY-QAPCUYQASA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000450679066 310136850 /nfs/dbraw/zinc/13/68/50/310136850.db2.gz IXWPNGFETVSCTD-NORZTCDRSA-N 0 0 338.379 3.262 10 5 EGBERN CCCc1ncc(CNc2ncc([N+](=O)[O-])cc2Br)o1 ZINC000450847375 310145553 /nfs/dbraw/zinc/14/55/53/310145553.db2.gz OXLONPJFGBBIBP-UHFFFAOYSA-N 0 0 341.165 3.305 10 5 EGBERN CCn1cc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cn1 ZINC000450868857 310146882 /nfs/dbraw/zinc/14/68/82/310146882.db2.gz AEIMXPKMEKRPHU-LLVKDONJSA-N 0 0 332.360 3.079 10 5 EGBERN Cc1cc(N(C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000450935415 310150722 /nfs/dbraw/zinc/15/07/22/310150722.db2.gz LLZIPWIYWCVTIB-UHFFFAOYSA-N 0 0 331.338 3.366 10 5 EGBERN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1(C)CCCC1 ZINC000451507189 310181696 /nfs/dbraw/zinc/18/16/96/310181696.db2.gz SXVPFYVIKAXOPY-UHFFFAOYSA-N 0 0 328.372 3.390 10 5 EGBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000452067018 310210046 /nfs/dbraw/zinc/21/00/46/310210046.db2.gz LRSVWNAWDXOEPT-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000452095666 310211908 /nfs/dbraw/zinc/21/19/08/310211908.db2.gz LVTXIQDFZIEIQP-UHFFFAOYSA-N 0 0 332.447 3.244 10 5 EGBERN CC(C)(C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000452110414 310212872 /nfs/dbraw/zinc/21/28/72/310212872.db2.gz YXJJDPSEPUUOTP-SNVBAGLBSA-N 0 0 332.447 3.103 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(C3CC3)c2)n1 ZINC000452189752 310217733 /nfs/dbraw/zinc/21/77/33/310217733.db2.gz WIFDMCFUALRUJF-LLVKDONJSA-N 0 0 328.372 3.180 10 5 EGBERN Cc1ncccc1N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452635102 310235272 /nfs/dbraw/zinc/23/52/72/310235272.db2.gz ARYKXZIMVXYGBD-NSHDSACASA-N 0 0 349.774 3.382 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452643115 310235570 /nfs/dbraw/zinc/23/55/70/310235570.db2.gz JEHGOOCDQCZKRQ-PWSUYJOCSA-N 0 0 330.306 3.327 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000452808366 310242803 /nfs/dbraw/zinc/24/28/03/310242803.db2.gz CCZKAVHKRPBXRB-PBHICJAKSA-N 0 0 348.443 3.440 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000452808367 310242833 /nfs/dbraw/zinc/24/28/33/310242833.db2.gz CCZKAVHKRPBXRB-RHSMWYFYSA-N 0 0 348.443 3.440 10 5 EGBERN Cc1c(CC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452811300 310243015 /nfs/dbraw/zinc/24/30/15/310243015.db2.gz DJIDUZHORYWVHB-WMLDXEAASA-N 0 0 334.416 3.013 10 5 EGBERN CSC[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453235279 310265759 /nfs/dbraw/zinc/26/57/59/310265759.db2.gz JUNXXTBLNHFYRV-SECBINFHSA-N 0 0 334.401 3.469 10 5 EGBERN C[C@]1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCCOC1 ZINC000453239565 310266162 /nfs/dbraw/zinc/26/61/62/310266162.db2.gz PZYIIVVBINNCHO-KRWDZBQOSA-N 0 0 344.371 3.071 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C3(CCF)CC3)n2)c2c1NCCC2 ZINC000453242666 310266290 /nfs/dbraw/zinc/26/62/90/310266290.db2.gz WEXLFVXOUGZFAR-UHFFFAOYSA-N 0 0 332.335 3.394 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000454354022 310304921 /nfs/dbraw/zinc/30/49/21/310304921.db2.gz JRIQGAIZEUWFBG-LLVKDONJSA-N 0 0 325.340 3.014 10 5 EGBERN O=C(NCC1CCCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000455359358 310357413 /nfs/dbraw/zinc/35/74/13/310357413.db2.gz BLRMHGAOVKVSRZ-UHFFFAOYSA-N 0 0 349.435 3.108 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000455418734 310359782 /nfs/dbraw/zinc/35/97/82/310359782.db2.gz QXLVKRZMWDFYID-OAHLLOKOSA-N 0 0 335.404 3.175 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000456155444 310391019 /nfs/dbraw/zinc/39/10/19/310391019.db2.gz YADYIHCITRAKSX-ZWNOBZJWSA-N 0 0 326.780 3.054 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccsc1 ZINC000456164547 310391435 /nfs/dbraw/zinc/39/14/35/310391435.db2.gz MNORNUHIPYSHCL-UHFFFAOYSA-N 0 0 335.385 3.494 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456570223 310412967 /nfs/dbraw/zinc/41/29/67/310412967.db2.gz BLSQPLQERMFXKY-KRWDZBQOSA-N 0 0 326.352 3.484 10 5 EGBERN Cc1cccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000457072904 310435717 /nfs/dbraw/zinc/43/57/17/310435717.db2.gz ZGZPPHQXWWTDGF-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000458195417 310490789 /nfs/dbraw/zinc/49/07/89/310490789.db2.gz PRVNOFRAQYJBPE-STQMWFEESA-N 0 0 338.791 3.244 10 5 EGBERN Cc1cncc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000459985314 310578632 /nfs/dbraw/zinc/57/86/32/310578632.db2.gz JAYPHQRWLDLCSC-ZDUSSCGKSA-N 0 0 325.368 3.209 10 5 EGBERN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000461933310 310593741 /nfs/dbraw/zinc/59/37/41/310593741.db2.gz DXDDDGPCXZKQHM-LLVKDONJSA-N 0 0 331.338 3.208 10 5 EGBERN Cc1cc(Nc2cccc([C@H]3CNC(=O)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000461955287 310593920 /nfs/dbraw/zinc/59/39/20/310593920.db2.gz FRUNNWJASCAVNZ-GFCCVEGCSA-N 0 0 329.331 3.389 10 5 EGBERN COc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000463102674 310609195 /nfs/dbraw/zinc/60/91/95/310609195.db2.gz RMFHMGUTFOGYQM-UHFFFAOYSA-N 0 0 325.328 3.143 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464881452 310626735 /nfs/dbraw/zinc/62/67/35/310626735.db2.gz SOLSBXRRPURQPH-MRXNPFEDSA-N 0 0 347.390 3.412 10 5 EGBERN CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000466553785 310654469 /nfs/dbraw/zinc/65/44/69/310654469.db2.gz TUNSHUHFMBKCGM-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000470795781 310727665 /nfs/dbraw/zinc/72/76/65/310727665.db2.gz UDACYFMYVBVWFR-NSHDSACASA-N 0 0 336.285 3.469 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@@H]1CCCC[C@H]1O ZINC000473518651 310776291 /nfs/dbraw/zinc/77/62/91/310776291.db2.gz KXQFELXMKUVXKR-SUMWQHHRSA-N 0 0 329.400 3.308 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000474795144 310799404 /nfs/dbraw/zinc/79/94/04/310799404.db2.gz VNLDNKPVWYMGBJ-APHBMKBZSA-N 0 0 348.399 3.305 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N(CC(C)C)CC(F)(F)F ZINC000475961831 310820610 /nfs/dbraw/zinc/82/06/10/310820610.db2.gz YNEPWLPPPRURKK-UHFFFAOYSA-N 0 0 347.337 3.362 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000479747700 310882889 /nfs/dbraw/zinc/88/28/89/310882889.db2.gz BYBJSUNJXBFLQB-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CCOC(=O)c1ccc(OCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000484518953 310966159 /nfs/dbraw/zinc/96/61/59/310966159.db2.gz XAWFYJICYWHBNX-UHFFFAOYSA-N 0 0 331.324 3.359 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC2)nc1-c1ccc(F)cc1 ZINC000485419209 310977329 /nfs/dbraw/zinc/97/73/29/310977329.db2.gz RZSLBQCBTPOYIT-GFCCVEGCSA-N 0 0 331.347 3.056 10 5 EGBERN C[C@@H]1[C@H](CO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486002022 310986008 /nfs/dbraw/zinc/98/60/08/310986008.db2.gz KFLLGDJVHVDEBH-CJNGLKHVSA-N 0 0 340.379 3.033 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000486691720 310997326 /nfs/dbraw/zinc/99/73/26/310997326.db2.gz ZXMUVHITBAQRRO-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000487087446 311010254 /nfs/dbraw/zinc/01/02/54/311010254.db2.gz PLQNAPUCIFNATF-UHFFFAOYSA-N 0 0 331.347 3.384 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000487116787 311011218 /nfs/dbraw/zinc/01/12/18/311011218.db2.gz KBZHKCUARDAIMM-UHFFFAOYSA-N 0 0 343.364 3.069 10 5 EGBERN CS(=O)(=O)c1cccc(Oc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488053814 311049322 /nfs/dbraw/zinc/04/93/22/311049322.db2.gz FKFLXDTWNLBIPU-UHFFFAOYSA-N 0 0 344.348 3.339 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC(F)(F)C1 ZINC000488993811 311088503 /nfs/dbraw/zinc/08/85/03/311088503.db2.gz OVAPGOSBDXORDZ-ZDUSSCGKSA-N 0 0 341.358 3.481 10 5 EGBERN CCOC(=O)c1cc(C(=O)N(C)C2(C)CCCC2)cc([N+](=O)[O-])c1 ZINC000490681473 311149093 /nfs/dbraw/zinc/14/90/93/311149093.db2.gz LTQXGQSQHIYTBZ-UHFFFAOYSA-N 0 0 334.372 3.176 10 5 EGBERN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492364326 311242306 /nfs/dbraw/zinc/24/23/06/311242306.db2.gz IRSSWQKDJGZEQM-SRXBQZRASA-N 0 0 326.352 3.494 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000494385078 311474365 /nfs/dbraw/zinc/47/43/65/311474365.db2.gz MEQCFRKZVZJXAZ-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN Cc1ccsc1[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494673388 311501773 /nfs/dbraw/zinc/50/17/73/311501773.db2.gz PZMQYMGYBZINPU-GFCCVEGCSA-N 0 0 326.805 3.441 10 5 EGBERN CC[C@]1(O)CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501110171 311939015 /nfs/dbraw/zinc/93/90/15/311939015.db2.gz YXWCJNGRLBZTFV-KRWDZBQOSA-N 0 0 335.404 3.271 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000501140536 311939470 /nfs/dbraw/zinc/93/94/70/311939470.db2.gz RHWDLJCTMRQYME-UWVGGRQHSA-N 0 0 346.836 3.223 10 5 EGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1OC ZINC000504267733 312002511 /nfs/dbraw/zinc/00/25/11/312002511.db2.gz OPJFZZMGONIFCI-NSHDSACASA-N 0 0 342.351 3.203 10 5 EGBERN C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000504484432 312006922 /nfs/dbraw/zinc/00/69/22/312006922.db2.gz SORYGJONCIMVKI-NSHDSACASA-N 0 0 340.426 3.128 10 5 EGBERN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505128287 312016111 /nfs/dbraw/zinc/01/61/11/312016111.db2.gz CGXKAWIEOHSSLZ-WDEREUQCSA-N 0 0 328.290 3.463 10 5 EGBERN Cc1ccc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)c1 ZINC000507859935 312083979 /nfs/dbraw/zinc/08/39/79/312083979.db2.gz BCBKGSSSHTYWGK-UHFFFAOYSA-N 0 0 341.335 3.464 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCCC[C@H]2C)c1C ZINC000512147912 312176888 /nfs/dbraw/zinc/17/68/88/312176888.db2.gz PJEPLLOGJXDTPC-GFCCVEGCSA-N 0 0 326.418 3.165 10 5 EGBERN CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512766393 312194592 /nfs/dbraw/zinc/19/45/92/312194592.db2.gz FIMADEAAEPKZST-CQSZACIVSA-N 0 0 340.426 3.332 10 5 EGBERN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1nccc(C(F)(F)F)n1 ZINC000514797834 312246087 /nfs/dbraw/zinc/24/60/87/312246087.db2.gz FFFJKKWTVKOOSW-LLVKDONJSA-N 0 0 338.289 3.181 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000517035343 312360459 /nfs/dbraw/zinc/36/04/59/312360459.db2.gz GHDUUQABWVFPIN-BXUZGUMPSA-N 0 0 340.445 3.234 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1cc2ccccc2n(C)c1=O ZINC000517274103 312373351 /nfs/dbraw/zinc/37/33/51/312373351.db2.gz SBXXBRDQOWVWFZ-UHFFFAOYSA-N 0 0 340.335 3.034 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000519704874 312472640 /nfs/dbraw/zinc/47/26/40/312472640.db2.gz JVBGXKIWVHVJBG-JKDFXYPNSA-N 0 0 346.358 3.076 10 5 EGBERN CCOC(=O)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000520400469 312504381 /nfs/dbraw/zinc/50/43/81/312504381.db2.gz KYRBUNJUZBTCMS-UHFFFAOYSA-N 0 0 347.415 3.038 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)c(F)c1 ZINC000524699464 312672316 /nfs/dbraw/zinc/67/23/16/312672316.db2.gz OVWHYPKMCFAXJV-LLVKDONJSA-N 0 0 343.358 3.391 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(C1)CCCCC2 ZINC000525158614 312700316 /nfs/dbraw/zinc/70/03/16/312700316.db2.gz QUGUMAHKTDDUCM-UHFFFAOYSA-N 0 0 332.356 3.120 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527453701 312865572 /nfs/dbraw/zinc/86/55/72/312865572.db2.gz KKAMDNHNDFDFBI-BXKDBHETSA-N 0 0 331.294 3.077 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1[N+](=O)[O-] ZINC000531464716 313672778 /nfs/dbraw/zinc/67/27/78/313672778.db2.gz KIOODXYZDGTALR-LLVKDONJSA-N 0 0 340.339 3.377 10 5 EGBERN O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531627066 313692736 /nfs/dbraw/zinc/69/27/36/313692736.db2.gz RYBUDNSIBNTTMX-UHFFFAOYSA-N 0 0 340.166 3.269 10 5 EGBERN O=C(NCCCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532143492 313760634 /nfs/dbraw/zinc/76/06/34/313760634.db2.gz SVYFNNKLRGFHNV-UHFFFAOYSA-N 0 0 349.774 3.232 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ncon2)nc1-c1ccccc1 ZINC000535592363 314055205 /nfs/dbraw/zinc/05/52/05/314055205.db2.gz ABPNZDDVNFHJLY-AWEZNQCLSA-N 0 0 337.339 3.381 10 5 EGBERN CCc1cc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1C ZINC000538652657 314260754 /nfs/dbraw/zinc/26/07/54/314260754.db2.gz QFAALMVDYXEIOR-UHFFFAOYSA-N 0 0 339.395 3.467 10 5 EGBERN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538804075 314276859 /nfs/dbraw/zinc/27/68/59/314276859.db2.gz PMENLCUYQMIEDH-GHMZBOCLSA-N 0 0 329.331 3.277 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000544305096 314686694 /nfs/dbraw/zinc/68/66/94/314686694.db2.gz YDQPCZHAILHYQR-UHFFFAOYSA-N 0 0 346.362 3.418 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000544658965 314709575 /nfs/dbraw/zinc/70/95/75/314709575.db2.gz YDYBTKAJIFYWGL-HOTGVXAUSA-N 0 0 348.443 3.128 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CCc2ccccc2C1 ZINC000545483985 314767114 /nfs/dbraw/zinc/76/71/14/314767114.db2.gz WZEKIZQGNKPIOQ-ZDUSSCGKSA-N 0 0 335.363 3.110 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)nc1 ZINC000546506420 314831002 /nfs/dbraw/zinc/83/10/02/314831002.db2.gz IPWRXPDEFDUULO-UHFFFAOYSA-N 0 0 339.311 3.033 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OC)c1F ZINC000547371790 314894400 /nfs/dbraw/zinc/89/44/00/314894400.db2.gz PSVXKLXEOBQZDQ-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN O=C(NC/C=C/c1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000548421433 315007578 /nfs/dbraw/zinc/00/75/78/315007578.db2.gz WYXYHWWTWOVXQV-RMKNXTFCSA-N 0 0 325.368 3.150 10 5 EGBERN Cc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000548724017 315039752 /nfs/dbraw/zinc/03/97/52/315039752.db2.gz NVQUIRNABVGAIK-UHFFFAOYSA-N 0 0 342.399 3.333 10 5 EGBERN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000548941751 315064708 /nfs/dbraw/zinc/06/47/08/315064708.db2.gz HHIWTVFUYYBSPU-SECBINFHSA-N 0 0 348.668 3.005 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC(c2ccccc2)C1 ZINC000549335034 315087663 /nfs/dbraw/zinc/08/76/63/315087663.db2.gz MDGZVMLUCYGYDL-UHFFFAOYSA-N 0 0 340.379 3.284 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC1CCCC1 ZINC000549396310 315089533 /nfs/dbraw/zinc/08/95/33/315089533.db2.gz JOLUOPZKDGQOTQ-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN C[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1cccc([N+](=O)[O-])c1 ZINC000553003926 315241148 /nfs/dbraw/zinc/24/11/48/315241148.db2.gz AUNRPAWSBCIOCZ-NHYWBVRUSA-N 0 0 326.352 3.208 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000553248255 315253124 /nfs/dbraw/zinc/25/31/24/315253124.db2.gz LKLCOSCRIPDGMG-CQSZACIVSA-N 0 0 341.367 3.054 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1Cc1ccccc1 ZINC000553343551 315259113 /nfs/dbraw/zinc/25/91/13/315259113.db2.gz SSQFBEDTJXOAET-OAHLLOKOSA-N 0 0 346.818 3.006 10 5 EGBERN CC(C)(C(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000553512747 315267875 /nfs/dbraw/zinc/26/78/75/315267875.db2.gz NURQRNTUFIOLGJ-UHFFFAOYSA-N 0 0 348.296 3.470 10 5 EGBERN O=C(CN1CC[C@](F)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000554582530 315335658 /nfs/dbraw/zinc/33/56/58/315335658.db2.gz FKNQBBZUVREZFY-GOSISDBHSA-N 0 0 343.358 3.104 10 5 EGBERN CCNc1ccc(C(=O)NCC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000554744397 315346607 /nfs/dbraw/zinc/34/66/07/315346607.db2.gz IAAQRAWWRPARRR-UHFFFAOYSA-N 0 0 333.310 3.345 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555167859 315370356 /nfs/dbraw/zinc/37/03/56/315370356.db2.gz MPFNQZLHAOMBNX-NXEZZACHSA-N 0 0 345.321 3.378 10 5 EGBERN Cc1cc(=NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000555747530 315401194 /nfs/dbraw/zinc/40/11/94/315401194.db2.gz DJCVZPIGGGPHTP-QWHCGFSZSA-N 0 0 342.399 3.235 10 5 EGBERN Cc1noc(C)c1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557504836 315514673 /nfs/dbraw/zinc/51/46/73/315514673.db2.gz GILSQRLEVWARKZ-UHFFFAOYSA-N 0 0 343.343 3.045 10 5 EGBERN CCOC(=O)Cc1csc(Sc2cc(C)c([N+](=O)[O-])cn2)n1 ZINC000074727070 454624515 /nfs/dbraw/zinc/62/45/15/454624515.db2.gz PKUQINXXZHMONF-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000561268485 315752975 /nfs/dbraw/zinc/75/29/75/315752975.db2.gz NBOGSIFPTPHPPH-JKOKRWQUSA-N 0 0 333.388 3.100 10 5 EGBERN CCC1(C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000562292104 315813854 /nfs/dbraw/zinc/81/38/54/315813854.db2.gz UGWPPIBUEQZHQC-UHFFFAOYSA-N 0 0 330.388 3.060 10 5 EGBERN COCC1(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000564087073 316111916 /nfs/dbraw/zinc/11/19/16/316111916.db2.gz GJEHZAIUONNPIM-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1csc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000564137656 316116680 /nfs/dbraw/zinc/11/66/80/316116680.db2.gz AJVAFDANTZOUAD-UHFFFAOYSA-N 0 0 345.384 3.205 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCCCC1 ZINC000564197684 316122687 /nfs/dbraw/zinc/12/26/87/316122687.db2.gz RKZMRIFCSXBCME-UHFFFAOYSA-N 0 0 330.388 3.251 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000564600055 316173544 /nfs/dbraw/zinc/17/35/44/316173544.db2.gz OMCHRNDHOGUHJU-UHFFFAOYSA-N 0 0 327.340 3.057 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000565226344 316294308 /nfs/dbraw/zinc/29/43/08/316294308.db2.gz JYYANZLLEHKOCD-IIAWOOMASA-N 0 0 349.431 3.297 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2C2CC2)c(F)c1N1CCOCC1 ZINC000565226304 316294465 /nfs/dbraw/zinc/29/44/65/316294465.db2.gz JFPLAYGOPKVBHD-STQMWFEESA-N 0 0 335.379 3.029 10 5 EGBERN CCCCN(C)C(=O)C1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000565493562 316331771 /nfs/dbraw/zinc/33/17/71/316331771.db2.gz ZPPTXPMFXGPUEI-UHFFFAOYSA-N 0 0 349.431 3.078 10 5 EGBERN COc1cc(COc2cnn(C)c2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000565904864 316386862 /nfs/dbraw/zinc/38/68/62/316386862.db2.gz TXMJYKPROAENQN-UHFFFAOYSA-N 0 0 349.240 3.074 10 5 EGBERN Cc1cc(NC2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000566573862 316497963 /nfs/dbraw/zinc/49/79/63/316497963.db2.gz INMRVHHBRMHBIW-UHFFFAOYSA-N 0 0 345.321 3.378 10 5 EGBERN CC(=O)c1cc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000569189697 316877681 /nfs/dbraw/zinc/87/76/81/316877681.db2.gz KQCIPSADOUUUOB-UHFFFAOYSA-N 0 0 330.218 3.383 10 5 EGBERN COc1cc(N2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000569599735 316937226 /nfs/dbraw/zinc/93/72/26/316937226.db2.gz LOYKDGGOJKQKDH-ZDUSSCGKSA-N 0 0 332.331 3.400 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000570109758 317009056 /nfs/dbraw/zinc/00/90/56/317009056.db2.gz WSGBTZALFCOYJD-TXEJJXNPSA-N 0 0 347.444 3.203 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000570908597 317124899 /nfs/dbraw/zinc/12/48/99/317124899.db2.gz HIXAVFSRJKBAJA-CQSZACIVSA-N 0 0 346.362 3.387 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(F)cccc1F ZINC000571599311 317221069 /nfs/dbraw/zinc/22/10/69/317221069.db2.gz GIGPKMQULSVZHU-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC12CCCCC2 ZINC000571995659 317276563 /nfs/dbraw/zinc/27/65/63/317276563.db2.gz VVJKELMKWWPFEH-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN COCC1(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000572161728 317300028 /nfs/dbraw/zinc/30/00/28/317300028.db2.gz QYMLQCXFAQIETH-UHFFFAOYSA-N 0 0 334.397 3.356 10 5 EGBERN CSCCCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574079884 317559242 /nfs/dbraw/zinc/55/92/42/317559242.db2.gz MHKIPPCPDJHYTL-UHFFFAOYSA-N 0 0 332.429 3.337 10 5 EGBERN CC[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000574449488 317599138 /nfs/dbraw/zinc/59/91/38/317599138.db2.gz UQBHCBNHCMMTKT-LBPRGKRZSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])cnc3C)c21 ZINC000171346326 323231278 /nfs/dbraw/zinc/23/12/78/323231278.db2.gz ZOSBIOQHVOFGQC-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN Cc1csc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000184175014 323644657 /nfs/dbraw/zinc/64/46/57/323644657.db2.gz ZDIBZDAEEBJOLP-SNVBAGLBSA-N 0 0 345.384 3.261 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000185818259 323712295 /nfs/dbraw/zinc/71/22/95/323712295.db2.gz RLZHVONRPXAQGS-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN CCC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186595429 323733756 /nfs/dbraw/zinc/73/37/56/323733756.db2.gz KRHMVOIDJDHQCK-CQSZACIVSA-N 0 0 326.418 3.079 10 5 EGBERN Cc1c(CNC(=O)c2coc(Br)c2)cccc1[N+](=O)[O-] ZINC000380795418 324244450 /nfs/dbraw/zinc/24/44/50/324244450.db2.gz JNLRZUDANATNFW-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000576574070 324641564 /nfs/dbraw/zinc/64/15/64/324641564.db2.gz KSIKEWDDXILYGL-DLBZAZTESA-N 0 0 335.363 3.372 10 5 EGBERN CCO[C@H](CC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000577133622 324748454 /nfs/dbraw/zinc/74/84/54/324748454.db2.gz CWNICJOADSBMAH-GFCCVEGCSA-N 0 0 345.193 3.419 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000578331304 324953975 /nfs/dbraw/zinc/95/39/75/324953975.db2.gz NJWAWZMCCUNKMW-SKDRFNHKSA-N 0 0 348.321 3.141 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000578605658 324992305 /nfs/dbraw/zinc/99/23/05/324992305.db2.gz AFDGTAAHTAPFTM-KOLCDFICSA-N 0 0 345.321 3.440 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000579864513 325169710 /nfs/dbraw/zinc/16/97/10/325169710.db2.gz HFQIDAIQZLUBBQ-OAHLLOKOSA-N 0 0 342.395 3.311 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000580345844 325237949 /nfs/dbraw/zinc/23/79/49/325237949.db2.gz UWCOJCMGOALRLH-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1sc(C(=O)N2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000580879474 325304879 /nfs/dbraw/zinc/30/48/79/325304879.db2.gz CBGQEGQWXGHGLX-UHFFFAOYSA-N 0 0 326.443 3.467 10 5 EGBERN CCOc1c(F)cccc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000582027768 325407588 /nfs/dbraw/zinc/40/75/88/325407588.db2.gz KIYPTZULBKESMO-UHFFFAOYSA-N 0 0 344.302 3.432 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1noc3c1CCCC3)CCCC2 ZINC000583318953 325514118 /nfs/dbraw/zinc/51/41/18/325514118.db2.gz QRJYDKZMOUMHQI-UHFFFAOYSA-N 0 0 328.372 3.348 10 5 EGBERN CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341723824 456915305 /nfs/dbraw/zinc/91/53/05/456915305.db2.gz WFLIWCOULRFRRP-QPUJVOFHSA-N 0 0 345.193 3.357 10 5 EGBERN CCOC(=O)C1(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000157862765 455241813 /nfs/dbraw/zinc/24/18/13/455241813.db2.gz IYRQORNGDMBZJL-UHFFFAOYSA-N 0 0 348.399 3.241 10 5 EGBERN Cc1noc(CN2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000595545009 459341931 /nfs/dbraw/zinc/34/19/31/459341931.db2.gz DHPDLOBSMKDWJK-UHFFFAOYSA-N 0 0 338.161 3.216 10 5 EGBERN C[C@@H]1CC(=O)N(c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000004684266 452812992 /nfs/dbraw/zinc/81/29/92/452812992.db2.gz GEAGUMKUCGPBLX-LLVKDONJSA-N 0 0 331.372 3.239 10 5 EGBERN CNc1c(C(=O)NCC2(C(F)(F)F)CCCC2)cccc1[N+](=O)[O-] ZINC000600700455 460572736 /nfs/dbraw/zinc/57/27/36/460572736.db2.gz CPEAELRMQBIXFG-UHFFFAOYSA-N 0 0 345.321 3.489 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000600692882 460571156 /nfs/dbraw/zinc/57/11/56/460571156.db2.gz CJYMLARDMGHCPT-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccc(F)cc1 ZINC000007267462 453053844 /nfs/dbraw/zinc/05/38/44/453053844.db2.gz MJDKNNQLGKAALM-GFCCVEGCSA-N 0 0 331.347 3.193 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000007462275 453078514 /nfs/dbraw/zinc/07/85/14/453078514.db2.gz OHMKRRBQYGJXKP-MRXNPFEDSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1ccc(CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)c1 ZINC000007819308 453120532 /nfs/dbraw/zinc/12/05/32/453120532.db2.gz UNBMHGRRACKKHY-UHFFFAOYSA-N 0 0 346.358 3.388 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000010643213 453297295 /nfs/dbraw/zinc/29/72/95/453297295.db2.gz VGHITGHEZRCJRD-VIFPVBQESA-N 0 0 331.284 3.405 10 5 EGBERN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012257578 453352404 /nfs/dbraw/zinc/35/24/04/453352404.db2.gz SUZIDAKATDVXHS-VIFPVBQESA-N 0 0 349.416 3.130 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc(Cl)cc2cccnc21 ZINC000012525506 453366972 /nfs/dbraw/zinc/36/69/72/453366972.db2.gz JGSSDTLUYIUOAZ-UHFFFAOYSA-N 0 0 345.746 3.022 10 5 EGBERN CSc1ccccc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000012534537 453370160 /nfs/dbraw/zinc/37/01/60/453370160.db2.gz LSLRLJZQMNTWAA-UHFFFAOYSA-N 0 0 333.369 3.038 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012603214 453381401 /nfs/dbraw/zinc/38/14/01/453381401.db2.gz SBSJMTUDCCYBKV-INIZCTEOSA-N 0 0 336.351 3.448 10 5 EGBERN COc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012767842 453400520 /nfs/dbraw/zinc/40/05/20/453400520.db2.gz XUGYFOSWHWHOFT-QGZVFWFLSA-N 0 0 342.351 3.002 10 5 EGBERN CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000015409876 453571954 /nfs/dbraw/zinc/57/19/54/453571954.db2.gz HBMVKHLLQWSPQK-INIZCTEOSA-N 0 0 341.367 3.109 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000015629564 453580451 /nfs/dbraw/zinc/58/04/51/453580451.db2.gz FWCMHNLLMDLUDY-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN C[C@@H]1CN(C(=S)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000016211014 453598108 /nfs/dbraw/zinc/59/81/08/453598108.db2.gz FEHKMFHQPCQJIM-DTORHVGOSA-N 0 0 329.809 3.054 10 5 EGBERN Cn1c(C(=O)NC2(c3c(F)cccc3F)CCC2)ccc1[N+](=O)[O-] ZINC000600814929 460612912 /nfs/dbraw/zinc/61/29/12/460612912.db2.gz XEFYJDLHKVXPMA-UHFFFAOYSA-N 0 0 335.310 3.021 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000021615560 453678817 /nfs/dbraw/zinc/67/88/17/453678817.db2.gz JOHMVCXCEBMHAB-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347232 453797513 /nfs/dbraw/zinc/79/75/13/453797513.db2.gz GFAAIXMAZUACQG-HUUCEWRRSA-N 0 0 341.411 3.293 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000030881693 453840358 /nfs/dbraw/zinc/84/03/58/453840358.db2.gz JGUPWGVBCBYWMX-ZDUSSCGKSA-N 0 0 344.367 3.029 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)nn(C)c1C ZINC000081261194 453853639 /nfs/dbraw/zinc/85/36/39/453853639.db2.gz XLEIVVVOPJLLGI-NSHDSACASA-N 0 0 336.417 3.196 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000066810029 453875955 /nfs/dbraw/zinc/87/59/55/453875955.db2.gz GSGSGSHMFADOFU-UHFFFAOYSA-N 0 0 325.368 3.398 10 5 EGBERN CNC(=O)c1ccc(N(C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000053549536 453886681 /nfs/dbraw/zinc/88/66/81/453886681.db2.gz OIWITFJIOLEISI-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000067030996 453895528 /nfs/dbraw/zinc/89/55/28/453895528.db2.gz VKEVLRBGXGZSHI-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(NCC1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033146831 453908038 /nfs/dbraw/zinc/90/80/38/453908038.db2.gz IVPLZFQURNADNL-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN COCCn1c(C)c(C)nc1SCc1csc([N+](=O)[O-])c1 ZINC000054452676 453931287 /nfs/dbraw/zinc/93/12/87/453931287.db2.gz WQDSYUUPCNTPLH-UHFFFAOYSA-N 0 0 327.431 3.408 10 5 EGBERN Cc1nc2nc(SCc3csc([N+](=O)[O-])c3)nn2c(C)c1C ZINC000054461791 453931978 /nfs/dbraw/zinc/93/19/78/453931978.db2.gz JPWVJQQUEWGMOC-UHFFFAOYSA-N 0 0 335.414 3.312 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055466623 453987401 /nfs/dbraw/zinc/98/74/01/453987401.db2.gz KXEXFCFHSDMZCB-QWHCGFSZSA-N 0 0 344.367 3.248 10 5 EGBERN Cc1ccccc1OCCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000055870718 454020623 /nfs/dbraw/zinc/02/06/23/454020623.db2.gz XRUMKHMRATWFGU-UHFFFAOYSA-N 0 0 343.383 3.148 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000087085027 454061212 /nfs/dbraw/zinc/06/12/12/454061212.db2.gz CPDYMKSANYLNAF-LLVKDONJSA-N 0 0 346.412 3.189 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1CC(c2ccccc2)C1 ZINC000077338344 454093311 /nfs/dbraw/zinc/09/33/11/454093311.db2.gz HGGLRSKZQPOLPW-UHFFFAOYSA-N 0 0 326.352 3.036 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077561334 454123403 /nfs/dbraw/zinc/12/34/03/454123403.db2.gz YBGRDVCASXSHDD-LBPRGKRZSA-N 0 0 344.371 3.170 10 5 EGBERN O=C(NCc1cn2cc(Cl)ccc2n1)Nc1cccc([N+](=O)[O-])c1 ZINC000045310753 454151714 /nfs/dbraw/zinc/15/17/14/454151714.db2.gz XJPOGEYMCUHBNA-UHFFFAOYSA-N 0 0 345.746 3.218 10 5 EGBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000078004647 454176286 /nfs/dbraw/zinc/17/62/86/454176286.db2.gz HCDNQLLCQCQWRB-SNVBAGLBSA-N 0 0 341.414 3.018 10 5 EGBERN O=C(c1scnc1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000089824851 454209724 /nfs/dbraw/zinc/20/97/24/454209724.db2.gz ICRIKUNRZMCFTH-UHFFFAOYSA-N 0 0 329.381 3.127 10 5 EGBERN COc1cc(NC2CCN(C(=O)OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000078254770 454216844 /nfs/dbraw/zinc/21/68/44/454216844.db2.gz CAYDTUODILLZEO-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1O ZINC000612449042 460631090 /nfs/dbraw/zinc/63/10/90/460631090.db2.gz AJAZTKXJNNCROY-HOCLYGCPSA-N 0 0 329.400 3.376 10 5 EGBERN CCOC(=O)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000078532176 454270705 /nfs/dbraw/zinc/27/07/05/454270705.db2.gz KOJXTUQWKAWEGL-UHFFFAOYSA-N 0 0 342.351 3.357 10 5 EGBERN CC[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068398 454271033 /nfs/dbraw/zinc/27/10/33/454271033.db2.gz MFDRZKBLCQWPEE-JKSUJKDBSA-N 0 0 331.347 3.001 10 5 EGBERN O=C(CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N1CCCC1 ZINC000090067651 454271573 /nfs/dbraw/zinc/27/15/73/454271573.db2.gz VZYANEWPEUKTKA-UHFFFAOYSA-N 0 0 340.383 3.081 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060342868 454278813 /nfs/dbraw/zinc/27/88/13/454278813.db2.gz PWAOWVYJFVHLEX-CYBMUJFWSA-N 0 0 327.340 3.103 10 5 EGBERN CC[C@H](NC(=O)Nc1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000078632449 454289446 /nfs/dbraw/zinc/28/94/46/454289446.db2.gz GZLKPEQVUXPHIR-INIZCTEOSA-N 0 0 343.387 3.474 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000078670185 454295354 /nfs/dbraw/zinc/29/53/54/454295354.db2.gz HQKULBUFIVDBJB-NSHDSACASA-N 0 0 336.417 3.489 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090223326 454295518 /nfs/dbraw/zinc/29/55/18/454295518.db2.gz SSKPUPAXOMSXAU-HNNXBMFYSA-N 0 0 338.360 3.164 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3)nc21 ZINC000131908815 454296869 /nfs/dbraw/zinc/29/68/69/454296869.db2.gz XYJVZAXZFJZICF-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000120472676 454306607 /nfs/dbraw/zinc/30/66/07/454306607.db2.gz AOZHNLPWPZSYLA-LLVKDONJSA-N 0 0 349.774 3.035 10 5 EGBERN Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000060642983 454308492 /nfs/dbraw/zinc/30/84/92/454308492.db2.gz IEONBXDMSLUDFZ-SFHVURJKSA-N 0 0 348.362 3.091 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060921973 454319545 /nfs/dbraw/zinc/31/95/45/454319545.db2.gz DXWMBXZRAJVCTF-ZDUSSCGKSA-N 0 0 326.418 3.184 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2F)CC1 ZINC000090632126 454331198 /nfs/dbraw/zinc/33/11/98/454331198.db2.gz HLMCBVOETSUGPX-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN CC[C@H](NC(=O)N(C)CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685799 454335723 /nfs/dbraw/zinc/33/57/23/454335723.db2.gz SBKOLDNGGCJVSO-INIZCTEOSA-N 0 0 335.404 3.114 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(F)cc1C ZINC000091054416 454372252 /nfs/dbraw/zinc/37/22/52/454372252.db2.gz DAHLOQZWGBZXDU-UHFFFAOYSA-N 0 0 338.360 3.460 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](C4CCCCC4)C3)c21 ZINC000612457927 460633452 /nfs/dbraw/zinc/63/34/52/460633452.db2.gz VRWDDAIIJCTYEP-MRXNPFEDSA-N 0 0 342.399 3.324 10 5 EGBERN Cc1nc2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000047623474 454391349 /nfs/dbraw/zinc/39/13/49/454391349.db2.gz VUTMQPNNEACGTF-UHFFFAOYSA-N 0 0 341.323 3.452 10 5 EGBERN CN(C(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000073303960 454418755 /nfs/dbraw/zinc/41/87/55/454418755.db2.gz GRIASYQRLFBGDZ-UHFFFAOYSA-N 0 0 334.715 3.254 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000048289692 454467722 /nfs/dbraw/zinc/46/77/22/454467722.db2.gz XPUCMJNBKWKIPR-LBPRGKRZSA-N 0 0 333.779 3.119 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000064324108 454473045 /nfs/dbraw/zinc/47/30/45/454473045.db2.gz SAERONHBUUCWNP-KRWDZBQOSA-N 0 0 342.399 3.162 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(Br)c1 ZINC000048446556 454489987 /nfs/dbraw/zinc/48/99/87/454489987.db2.gz MJZLNRCIFSINFY-QMMMGPOBSA-N 0 0 338.161 3.176 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@](C)(O)CCC(C)C ZINC000091989103 454501902 /nfs/dbraw/zinc/50/19/02/454501902.db2.gz OMVXHXJBQLHIKE-GOSISDBHSA-N 0 0 336.432 3.437 10 5 EGBERN COc1ccc2ccn(Cc3ccc([N+](=O)[O-])cc3F)c(=O)c2c1 ZINC000092333449 454551536 /nfs/dbraw/zinc/55/15/36/454551536.db2.gz WLYPAPJGXHTXDF-UHFFFAOYSA-N 0 0 328.299 3.106 10 5 EGBERN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122770588 454567916 /nfs/dbraw/zinc/56/79/16/454567916.db2.gz JJRWUDDZICZARY-JSGCOSHPSA-N 0 0 339.417 3.399 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N(C)C(C)=O)cc2)c1 ZINC000092624350 454597175 /nfs/dbraw/zinc/59/71/75/454597175.db2.gz MPMWMFPQPCUWTQ-UHFFFAOYSA-N 0 0 333.319 3.469 10 5 EGBERN COC(=O)c1cc(N[C@H]2COc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000092684704 454610120 /nfs/dbraw/zinc/61/01/20/454610120.db2.gz UZNUHSRIELGNKL-AWEZNQCLSA-N 0 0 328.324 3.235 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000080660211 454614007 /nfs/dbraw/zinc/61/40/07/454614007.db2.gz QLNIUDFRVCDIND-SECBINFHSA-N 0 0 336.367 3.136 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000074659597 454614767 /nfs/dbraw/zinc/61/47/67/454614767.db2.gz GOPNXFWRDIFYPR-CYBMUJFWSA-N 0 0 342.399 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814081 454627121 /nfs/dbraw/zinc/62/71/21/454627121.db2.gz XWNLMNBYMLCVGT-DOOHLRMFSA-N 0 0 330.384 3.254 10 5 EGBERN CCOc1cc(NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000080776135 454632419 /nfs/dbraw/zinc/63/24/19/454632419.db2.gz QPTDNSYCKIBSNW-UHFFFAOYSA-N 0 0 342.399 3.469 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000052397771 454670582 /nfs/dbraw/zinc/67/05/82/454670582.db2.gz YXJQHUHMBJXIIP-UHFFFAOYSA-N 0 0 333.369 3.191 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000162146830 454754435 /nfs/dbraw/zinc/75/44/35/454754435.db2.gz GUBDWNVGHKOTDK-UHFFFAOYSA-N 0 0 344.762 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000107606162 454765397 /nfs/dbraw/zinc/76/53/97/454765397.db2.gz BDXWUEQWFITVBR-UHFFFAOYSA-N 0 0 338.367 3.142 10 5 EGBERN O=[N+]([O-])c1cccc(CN(Cc2nc(-c3ccoc3)no2)C2CC2)c1 ZINC000153256929 454775324 /nfs/dbraw/zinc/77/53/24/454775324.db2.gz YKMUZIPAHGJPJG-UHFFFAOYSA-N 0 0 340.339 3.402 10 5 EGBERN COC(=O)c1cnc2[nH]ccc(Oc3ccc([N+](=O)[O-])cc3F)c1-2 ZINC000139746869 454810872 /nfs/dbraw/zinc/81/08/72/454810872.db2.gz CIOLTQIKEGAKML-UHFFFAOYSA-N 0 0 331.259 3.189 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(N2CCCC2)s1 ZINC000153613641 454812390 /nfs/dbraw/zinc/81/23/90/454812390.db2.gz SSHDKJMKKQIIBR-UHFFFAOYSA-N 0 0 343.821 3.246 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000163200737 454830050 /nfs/dbraw/zinc/83/00/50/454830050.db2.gz NDINQUUJNHAMPQ-HNNXBMFYSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1cccn2cc(CCNc3ncc(Cl)cc3[N+](=O)[O-])nc12 ZINC000153887214 454843833 /nfs/dbraw/zinc/84/38/33/454843833.db2.gz HLHIERXXBWTQRM-UHFFFAOYSA-N 0 0 331.763 3.254 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1snnc1C(C)(C)C ZINC000191367002 455481170 /nfs/dbraw/zinc/48/11/70/455481170.db2.gz LTKMJORZLVYJCU-UHFFFAOYSA-N 0 0 334.401 3.016 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000126264272 454881683 /nfs/dbraw/zinc/88/16/83/454881683.db2.gz PSVSXDSNNVQVQL-LBPRGKRZSA-N 0 0 338.385 3.153 10 5 EGBERN COC(=O)[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515405 454902696 /nfs/dbraw/zinc/90/26/96/454902696.db2.gz LHOMZIBCIRZESJ-KDOFPFPSSA-N 0 0 342.395 3.420 10 5 EGBERN CCOc1ccc(C(=O)N2CCSc3ncccc32)cc1[N+](=O)[O-] ZINC000154529052 454905010 /nfs/dbraw/zinc/90/50/10/454905010.db2.gz VFTIQKBEANLWTI-UHFFFAOYSA-N 0 0 345.380 3.141 10 5 EGBERN Cc1ccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000154687406 454919977 /nfs/dbraw/zinc/91/99/77/454919977.db2.gz GLSJDLOQTCROLR-CZUORRHYSA-N 0 0 335.404 3.356 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000191465062 455488056 /nfs/dbraw/zinc/48/80/56/455488056.db2.gz JTZNQYZGEYSYEA-GFCCVEGCSA-N 0 0 338.367 3.455 10 5 EGBERN Cc1cccc(C(=O)Nc2ccncc2C(=O)C(C)C)c1[N+](=O)[O-] ZINC000170600388 454938579 /nfs/dbraw/zinc/93/85/79/454938579.db2.gz FHVGAHTUGISLEJ-UHFFFAOYSA-N 0 0 327.340 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCc3[nH]c4ccc(F)cc4c3C2)n1 ZINC000178167325 454940075 /nfs/dbraw/zinc/94/00/75/454940075.db2.gz NULIIJNLNWXOOC-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN O=[N+]([O-])c1nn(CCc2ccc(F)c(F)c2)cc1Br ZINC000127143543 454941083 /nfs/dbraw/zinc/94/10/83/454941083.db2.gz CNMPXQQPUNDGKN-UHFFFAOYSA-N 0 0 332.104 3.075 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000191538370 455495246 /nfs/dbraw/zinc/49/52/46/455495246.db2.gz CFYJJBRSFQTOFC-GFCCVEGCSA-N 0 0 346.387 3.089 10 5 EGBERN COc1cc(C(=O)NC[C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000127360624 454957361 /nfs/dbraw/zinc/95/73/61/454957361.db2.gz OQGQKFLOKJIMBM-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000155365230 454991767 /nfs/dbraw/zinc/99/17/67/454991767.db2.gz HOXSNQHEXVDONY-ZIAGYGMSSA-N 0 0 348.424 3.206 10 5 EGBERN CCc1cc(C)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000155443035 455002401 /nfs/dbraw/zinc/00/24/01/455002401.db2.gz WEFQYESPKUKQGZ-UHFFFAOYSA-N 0 0 340.339 3.497 10 5 EGBERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000155487665 455007475 /nfs/dbraw/zinc/00/74/75/455007475.db2.gz QKWKLSGUMQJZIL-BETUJISGSA-N 0 0 333.432 3.057 10 5 EGBERN O=C(Nc1ccc(-c2nnco2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171193703 455044357 /nfs/dbraw/zinc/04/43/57/455044357.db2.gz PATAFDIANODBDT-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000171304705 455060571 /nfs/dbraw/zinc/06/05/71/455060571.db2.gz ZJPGLNFWMMOZND-SNVBAGLBSA-N 0 0 325.324 3.273 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2cccc(CS(C)(=O)=O)c2)c1 ZINC000152032523 455063819 /nfs/dbraw/zinc/06/38/19/455063819.db2.gz GHBVDYSDEJTVCX-UHFFFAOYSA-N 0 0 334.397 3.060 10 5 EGBERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000171448026 455070819 /nfs/dbraw/zinc/07/08/19/455070819.db2.gz RSQMETUCWXXJAN-CQSZACIVSA-N 0 0 349.778 3.351 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000156134375 455085585 /nfs/dbraw/zinc/08/55/85/455085585.db2.gz LKKMJHIKMWMFCV-ZFWWWQNUSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cnn1-c1ccccc1 ZINC000129074136 455096450 /nfs/dbraw/zinc/09/64/50/455096450.db2.gz JHCGVLHQVMWSJQ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC[C@@H]3CO)cs2)c1 ZINC000152334429 455103898 /nfs/dbraw/zinc/10/38/98/455103898.db2.gz UJGICVMWOHHFPB-CJNGLKHVSA-N 0 0 347.440 3.359 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ncccc1Cl ZINC000179950904 455104057 /nfs/dbraw/zinc/10/40/57/455104057.db2.gz BNJYXOQGUJCXCZ-UHFFFAOYSA-N 0 0 330.731 3.306 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000172058645 455115026 /nfs/dbraw/zinc/11/50/26/455115026.db2.gz GZWVNAKJKMMLOA-AWEZNQCLSA-N 0 0 326.352 3.167 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000119171364 455130619 /nfs/dbraw/zinc/13/06/19/455130619.db2.gz AUVWKARZLTVZMW-UHFFFAOYSA-N 0 0 345.374 3.208 10 5 EGBERN O=C(NCCc1ccsc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180338457 455159174 /nfs/dbraw/zinc/15/91/74/455159174.db2.gz WPAAIBNMLFPAKB-UHFFFAOYSA-N 0 0 342.323 3.230 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000172615295 455164937 /nfs/dbraw/zinc/16/49/37/455164937.db2.gz PLYDBFIJUNYVDT-GFCCVEGCSA-N 0 0 334.401 3.344 10 5 EGBERN Cn1c2ccc(Cl)cc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172907411 455207982 /nfs/dbraw/zinc/20/79/82/455207982.db2.gz RKJAHWGVVLQUSN-UHFFFAOYSA-N 0 0 344.758 3.316 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183405442 455289266 /nfs/dbraw/zinc/28/92/66/455289266.db2.gz LAHDBXIJXNXBED-LLVKDONJSA-N 0 0 344.342 3.435 10 5 EGBERN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000183625084 455313542 /nfs/dbraw/zinc/31/35/42/455313542.db2.gz JKEOFPXDUOEZCP-JTQLQIEISA-N 0 0 342.417 3.287 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245687726 455356635 /nfs/dbraw/zinc/35/66/35/455356635.db2.gz LBWWIBCCMRDATL-NWDGAFQWSA-N 0 0 331.338 3.224 10 5 EGBERN Cc1csc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166691 455358428 /nfs/dbraw/zinc/35/84/28/455358428.db2.gz CBUAYDGPLGNZAW-QWRGUYRKSA-N 0 0 334.401 3.038 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245872744 455389917 /nfs/dbraw/zinc/38/99/17/455389917.db2.gz MGTHXJFCGQXCMC-QWHCGFSZSA-N 0 0 340.420 3.220 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCS[C@H]4CCCC[C@H]43)cc2N1 ZINC000245881976 455391146 /nfs/dbraw/zinc/39/11/46/455391146.db2.gz KLIMGENQDTZDFC-CJNGLKHVSA-N 0 0 347.440 3.344 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000175729107 455488542 /nfs/dbraw/zinc/48/85/42/455488542.db2.gz GKMUVOPEPKAHPW-XJKSGUPXSA-N 0 0 325.368 3.316 10 5 EGBERN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182342785 455492483 /nfs/dbraw/zinc/49/24/83/455492483.db2.gz GMNNVNPSMMYJDS-BZNIZROVSA-N 0 0 344.342 3.477 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC3(C2)CCCCCC3)n1 ZINC000191643100 455506640 /nfs/dbraw/zinc/50/66/40/455506640.db2.gz YTFKWAAQNZQBHF-UHFFFAOYSA-N 0 0 334.420 3.388 10 5 EGBERN CC[C@@H](NC(=O)CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000267278836 455529882 /nfs/dbraw/zinc/52/98/82/455529882.db2.gz KEJAUBDKIYPZSG-CQSZACIVSA-N 0 0 336.779 3.102 10 5 EGBERN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086763 455532241 /nfs/dbraw/zinc/53/22/41/455532241.db2.gz YJDIJCOVCKBUAG-MFKMUULPSA-N 0 0 334.401 3.119 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601022892 460678714 /nfs/dbraw/zinc/67/87/14/460678714.db2.gz SJBIEMYAVONRNS-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN O=C(NCCCOC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601023162 460678968 /nfs/dbraw/zinc/67/89/68/460678968.db2.gz YIRBIMHXONJRFH-UHFFFAOYSA-N 0 0 346.427 3.482 10 5 EGBERN CC[C@H](NC(=O)N(C)[C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185599064 455583709 /nfs/dbraw/zinc/58/37/09/455583709.db2.gz MWXYGGJNKGLXIA-CVEARBPZSA-N 0 0 337.420 3.094 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000268196181 455615968 /nfs/dbraw/zinc/61/59/68/455615968.db2.gz GVNFXLWJEKDOHN-NSHDSACASA-N 0 0 348.380 3.435 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000192457695 455620812 /nfs/dbraw/zinc/62/08/12/455620812.db2.gz QHBGJTGFXMWBMW-LLVKDONJSA-N 0 0 334.401 3.141 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000268226467 455624602 /nfs/dbraw/zinc/62/46/02/455624602.db2.gz SOYCDUPXSHBOIS-MRXNPFEDSA-N 0 0 332.381 3.437 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192518868 455635942 /nfs/dbraw/zinc/63/59/42/455635942.db2.gz UOPZQSQWXPGKGK-NSHDSACASA-N 0 0 336.392 3.074 10 5 EGBERN O=[N+]([O-])c1cnc(NCCN2CCc3c(Cl)cccc3C2)s1 ZINC000192544720 455640589 /nfs/dbraw/zinc/64/05/89/455640589.db2.gz KLUICRGJYMWXCU-UHFFFAOYSA-N 0 0 338.820 3.175 10 5 EGBERN CC[C@H]1C(=O)N([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CC1 ZINC000277746610 455654065 /nfs/dbraw/zinc/65/40/65/455654065.db2.gz VAZNBBKATFRCFP-RISCZKNCSA-N 0 0 331.372 3.169 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccs3)C2)c(Cl)c1 ZINC000268354219 455659691 /nfs/dbraw/zinc/65/96/91/455659691.db2.gz AJEIGYLETKVUBR-NSHDSACASA-N 0 0 325.777 3.283 10 5 EGBERN CCC[C@@]1(CO)CCCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000277929706 455712224 /nfs/dbraw/zinc/71/22/24/455712224.db2.gz AWBDAACAEGOXFK-AEFFLSMTSA-N 0 0 349.431 3.383 10 5 EGBERN C[C@H](NC(=O)N[C@@H](CCO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271707047 455729147 /nfs/dbraw/zinc/72/91/47/455729147.db2.gz IVIVVJAIZSZXIP-BBRMVZONSA-N 0 0 349.431 3.286 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000271730520 455737221 /nfs/dbraw/zinc/73/72/21/455737221.db2.gz SHHTXQOYZBLQFH-SNVBAGLBSA-N 0 0 329.356 3.233 10 5 EGBERN Cc1nn(C)c(C)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000253416381 455841820 /nfs/dbraw/zinc/84/18/20/455841820.db2.gz OHYWZULQCLSRSE-UHFFFAOYSA-N 0 0 330.388 3.495 10 5 EGBERN COC1(c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000296279070 455898028 /nfs/dbraw/zinc/89/80/28/455898028.db2.gz CFJDIKICIHBNIB-UHFFFAOYSA-N 0 0 345.355 3.209 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000272290321 455903814 /nfs/dbraw/zinc/90/38/14/455903814.db2.gz BMDQIKPQPFNMTA-IUODEOHRSA-N 0 0 335.404 3.164 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270319040 455927896 /nfs/dbraw/zinc/92/78/96/455927896.db2.gz XJQWHHNZTAOZJI-ZDUSSCGKSA-N 0 0 343.383 3.206 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272581203 456002071 /nfs/dbraw/zinc/00/20/71/456002071.db2.gz MHNXJWAIDINQKR-ZFWWWQNUSA-N 0 0 349.431 3.472 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000296710178 456017456 /nfs/dbraw/zinc/01/74/56/456017456.db2.gz LWELWYJXNMOKDK-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOC[C@@H]1CC(F)F ZINC000286324792 456024792 /nfs/dbraw/zinc/02/47/92/456024792.db2.gz ITWIWUDEPDUNKR-VIFPVBQESA-N 0 0 340.248 3.474 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2cccs2)CC1 ZINC000301302015 456086132 /nfs/dbraw/zinc/08/61/32/456086132.db2.gz VULQZTZCSISPKS-UHFFFAOYSA-N 0 0 329.381 3.049 10 5 EGBERN CCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000225525923 456090171 /nfs/dbraw/zinc/09/01/71/456090171.db2.gz NIZAJEBBRLXGHK-UHFFFAOYSA-N 0 0 342.399 3.346 10 5 EGBERN CCN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H](C)C1 ZINC000288491591 456097347 /nfs/dbraw/zinc/09/73/47/456097347.db2.gz PUJFPDOVXSBBHJ-AWEZNQCLSA-N 0 0 349.434 3.260 10 5 EGBERN Cc1ccc(N2CCC(C(=O)N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301453099 456120585 /nfs/dbraw/zinc/12/05/85/456120585.db2.gz VAYZGOOFBPFNTF-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301539958 456142427 /nfs/dbraw/zinc/14/24/27/456142427.db2.gz JTGKLJAWITZUGW-IWGBLYGRSA-N 0 0 326.418 3.095 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301579897 456151977 /nfs/dbraw/zinc/15/19/77/456151977.db2.gz UMAKXMIHVIDMLO-HIBRMCEJSA-N 0 0 344.408 3.234 10 5 EGBERN C[C@@H]1CN(C)c2ccccc2CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301580814 456152065 /nfs/dbraw/zinc/15/20/65/456152065.db2.gz SOXIMCPLHCWCFH-LLVKDONJSA-N 0 0 343.412 3.149 10 5 EGBERN C[C@H](c1ccccc1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271207096 456173405 /nfs/dbraw/zinc/17/34/05/456173405.db2.gz AMRMLOOGWVKRPZ-SNVBAGLBSA-N 0 0 340.426 3.257 10 5 EGBERN Cc1nc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000301652665 456174712 /nfs/dbraw/zinc/17/47/12/456174712.db2.gz HFLFDRFSQMYJOC-MRXNPFEDSA-N 0 0 331.347 3.140 10 5 EGBERN COC(=O)c1cc(NC[C@]2(C)CCCC[C@H]2O)cc(C)c1[N+](=O)[O-] ZINC000301668941 456180505 /nfs/dbraw/zinc/18/05/05/456180505.db2.gz DNXOLTQELAMOPG-PBHICJAKSA-N 0 0 336.388 3.043 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3C[C@H]3C3CCCCC3)cc2N1 ZINC000301675960 456183341 /nfs/dbraw/zinc/18/33/41/456183341.db2.gz HNSKAERXYLQGTO-NWDGAFQWSA-N 0 0 331.372 3.306 10 5 EGBERN COC(=O)c1cc(N2CCc3ccc(F)cc3C2)cc(C)c1[N+](=O)[O-] ZINC000301739662 456202986 /nfs/dbraw/zinc/20/29/86/456202986.db2.gz JXPVPDKEBMQFEZ-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000301803062 456218887 /nfs/dbraw/zinc/21/88/87/456218887.db2.gz AMKUWIDXTPNSNH-INIZCTEOSA-N 0 0 327.384 3.015 10 5 EGBERN Cn1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000297485971 456232900 /nfs/dbraw/zinc/23/29/00/456232900.db2.gz TYTUFOHBWDLZJU-UHFFFAOYSA-N 0 0 343.387 3.263 10 5 EGBERN COC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301908539 456248086 /nfs/dbraw/zinc/24/80/86/456248086.db2.gz RKHVYULXEOUWGO-LBPRGKRZSA-N 0 0 336.388 3.162 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000301932089 456253606 /nfs/dbraw/zinc/25/36/06/456253606.db2.gz PAZHGTINXVYCJZ-IUODEOHRSA-N 0 0 346.774 3.027 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3Br)nn21 ZINC000301959350 456259385 /nfs/dbraw/zinc/25/93/85/456259385.db2.gz GXHZZENKPVPOIS-UHFFFAOYSA-N 0 0 348.160 3.012 10 5 EGBERN CCCOC1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCC1 ZINC000301966364 456260626 /nfs/dbraw/zinc/26/06/26/456260626.db2.gz KSOMNCIDODIOFP-UHFFFAOYSA-N 0 0 333.392 3.179 10 5 EGBERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988581 456264925 /nfs/dbraw/zinc/26/49/25/456264925.db2.gz LNPUDOWTPBWQTN-DGCLKSJQSA-N 0 0 341.346 3.159 10 5 EGBERN CC[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1F ZINC000301991258 456266487 /nfs/dbraw/zinc/26/64/87/456266487.db2.gz MNZUIDNCXFEPMR-LLVKDONJSA-N 0 0 345.334 3.046 10 5 EGBERN CCc1ncc2c(n1)CN(c1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000302039820 456274254 /nfs/dbraw/zinc/27/42/54/456274254.db2.gz WAURTODAPITCAF-UHFFFAOYSA-N 0 0 349.394 3.367 10 5 EGBERN COc1cccc(C(C)(C)CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302065188 456278555 /nfs/dbraw/zinc/27/85/55/456278555.db2.gz UESUIHCATSUENK-UHFFFAOYSA-N 0 0 330.384 3.485 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC3(C2)CCCCCC3)c1 ZINC000302179410 456308521 /nfs/dbraw/zinc/30/85/21/456308521.db2.gz NNZMACRRANBAAW-UHFFFAOYSA-N 0 0 348.399 3.311 10 5 EGBERN COc1cc(N2CCC(c3noc(C4CC4)n3)CC2)ccc1[N+](=O)[O-] ZINC000302185695 456311624 /nfs/dbraw/zinc/31/16/24/456311624.db2.gz UMIFRUDSHDIJDF-UHFFFAOYSA-N 0 0 344.371 3.248 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1C ZINC000337036837 456323523 /nfs/dbraw/zinc/32/35/23/456323523.db2.gz HXNQQZCCGSRLCK-GFCCVEGCSA-N 0 0 348.371 3.020 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(Cl)cn1 ZINC000601138780 460727479 /nfs/dbraw/zinc/72/74/79/460727479.db2.gz YDXWWMZGOFCMIQ-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000352813214 456329495 /nfs/dbraw/zinc/32/94/95/456329495.db2.gz AMAHDDKFZMCQSQ-IAGOWNOFSA-N 0 0 342.399 3.024 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000275884806 456341469 /nfs/dbraw/zinc/34/14/69/456341469.db2.gz QMAUJEVEUZYBTR-YRGRVCCFSA-N 0 0 338.791 3.244 10 5 EGBERN COc1cc(NCC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000302464413 456345155 /nfs/dbraw/zinc/34/51/55/456345155.db2.gz VCWPJOQBOPEFIW-QGZVFWFLSA-N 0 0 334.347 3.452 10 5 EGBERN CN(CC1CC(O)C1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302520416 456353436 /nfs/dbraw/zinc/35/34/36/456353436.db2.gz AXZZGDZYJVXZFC-UHFFFAOYSA-N 0 0 340.379 3.033 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000302580107 456361916 /nfs/dbraw/zinc/36/19/16/456361916.db2.gz SWDTVKNAARVEFI-NSHDSACASA-N 0 0 346.353 3.373 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000298092778 456363172 /nfs/dbraw/zinc/36/31/72/456363172.db2.gz ZVZGZEVRCJBVDO-DOMZBBRYSA-N 0 0 329.356 3.287 10 5 EGBERN COC(=O)c1cnc(NCc2ccc(C(F)F)cc2)c([N+](=O)[O-])c1 ZINC000302761122 456392197 /nfs/dbraw/zinc/39/21/97/456392197.db2.gz KFBBBKCXMSUNKE-UHFFFAOYSA-N 0 0 337.282 3.326 10 5 EGBERN COc1cc(NC[C@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1F ZINC000302767881 456395966 /nfs/dbraw/zinc/39/59/66/456395966.db2.gz MCDUMNREHXASMO-NSHDSACASA-N 0 0 336.367 3.328 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352897851 456399026 /nfs/dbraw/zinc/39/90/26/456399026.db2.gz BMHCYOHLWOWNSV-UONOGXRCSA-N 0 0 333.388 3.184 10 5 EGBERN CC(C)NC(=O)c1ccc(NCCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000290664464 456399117 /nfs/dbraw/zinc/39/91/17/456399117.db2.gz QGPJBBILFJXBSY-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000347842001 456399475 /nfs/dbraw/zinc/39/94/75/456399475.db2.gz FSFRBHHWHVBMTN-LLVKDONJSA-N 0 0 330.315 3.102 10 5 EGBERN O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000298242695 456401792 /nfs/dbraw/zinc/40/17/92/456401792.db2.gz JDUHEWCOTJDPMG-PWSUYJOCSA-N 0 0 334.397 3.090 10 5 EGBERN O=C(CCC1CCCC1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302823762 456411413 /nfs/dbraw/zinc/41/14/13/456411413.db2.gz VJVRVUQHUCUBON-UHFFFAOYSA-N 0 0 349.406 3.353 10 5 EGBERN COc1ccc(C[C@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1OC ZINC000282267585 456461970 /nfs/dbraw/zinc/46/19/70/456461970.db2.gz SUXDDEMWSZYFMJ-NSHDSACASA-N 0 0 331.372 3.237 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1F ZINC000348129334 456504165 /nfs/dbraw/zinc/50/41/65/456504165.db2.gz XYQNHQMBWYCMMU-UHFFFAOYSA-N 0 0 339.273 3.453 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000298808227 456545917 /nfs/dbraw/zinc/54/59/17/456545917.db2.gz QGFLAUSOPGNENB-SNVBAGLBSA-N 0 0 332.278 3.018 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1cncc(Br)c1)CC2 ZINC000348254100 456573295 /nfs/dbraw/zinc/57/32/95/456573295.db2.gz MCQHZOSQEJMGFB-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000282680082 456591204 /nfs/dbraw/zinc/59/12/04/456591204.db2.gz QAPSGZYNCDCLMI-CYBMUJFWSA-N 0 0 343.387 3.144 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)c([N+](=O)[O-])c1 ZINC000276849975 456597965 /nfs/dbraw/zinc/59/79/65/456597965.db2.gz DNHXRHHKJNWIEU-JYAVWHMHSA-N 0 0 332.356 3.065 10 5 EGBERN Cn1ccnc1[C@H](NCCC1(F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000348329798 456627669 /nfs/dbraw/zinc/62/76/69/456627669.db2.gz RLXOEPJURYWUGK-OAHLLOKOSA-N 0 0 332.379 3.290 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000321082640 456634432 /nfs/dbraw/zinc/63/44/32/456634432.db2.gz IHNBKQKUFLVRMT-UHFFFAOYSA-N 0 0 325.246 3.306 10 5 EGBERN CC(C)[C@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000353321878 456637552 /nfs/dbraw/zinc/63/75/52/456637552.db2.gz IRAVTKYKYPSEQV-ZDUSSCGKSA-N 0 0 349.309 3.142 10 5 EGBERN Cc1nc(C)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 ZINC000340811719 456698082 /nfs/dbraw/zinc/69/80/82/456698082.db2.gz FPAOTIPSVFEVDB-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN Cc1ccc(C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000277180913 456712096 /nfs/dbraw/zinc/71/20/96/456712096.db2.gz FGUVMZJPWCBEBK-KRWDZBQOSA-N 0 0 342.395 3.245 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C2CC2)cc1 ZINC000299519260 456716320 /nfs/dbraw/zinc/71/63/20/456716320.db2.gz DKGFIVNCNGZMHF-LLVKDONJSA-N 0 0 329.356 3.377 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCCC2(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277246091 456741749 /nfs/dbraw/zinc/74/17/49/456741749.db2.gz PNXSNPZXKRIJDZ-UHFFFAOYSA-N 0 0 335.360 3.096 10 5 EGBERN CSC1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCOCC1 ZINC000291785265 456757514 /nfs/dbraw/zinc/75/75/14/456757514.db2.gz CUTATIIJJGHSSH-UHFFFAOYSA-N 0 0 333.413 3.467 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(SC)cc1 ZINC000301094443 456794762 /nfs/dbraw/zinc/79/47/62/456794762.db2.gz MLJCKGQEBVPXQA-UHFFFAOYSA-N 0 0 331.397 3.288 10 5 EGBERN CCCCN(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301195695 456818836 /nfs/dbraw/zinc/81/88/36/456818836.db2.gz NZVRYBQFZSOTIQ-UHFFFAOYSA-N 0 0 343.387 3.069 10 5 EGBERN CCCCn1nccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341216484 456822582 /nfs/dbraw/zinc/82/25/82/456822582.db2.gz MDSFLARPKUIYEA-UHFFFAOYSA-N 0 0 338.314 3.051 10 5 EGBERN Cc1cc(N[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277435069 456823925 /nfs/dbraw/zinc/82/39/25/456823925.db2.gz IZXMQMMPWVDGAH-IAQYHMDHSA-N 0 0 328.372 3.197 10 5 EGBERN C[C@H]1SCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H]1C ZINC000301252321 456835969 /nfs/dbraw/zinc/83/59/69/456835969.db2.gz AGNJMWWUMHTSGB-QWHCGFSZSA-N 0 0 349.456 3.161 10 5 EGBERN C[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC000341313696 456842623 /nfs/dbraw/zinc/84/26/23/456842623.db2.gz ZWPMTHIKZNFJNR-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN COc1ccc(CC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000341327394 456849489 /nfs/dbraw/zinc/84/94/89/456849489.db2.gz GORURZQWHOORLA-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000348801589 456862576 /nfs/dbraw/zinc/86/25/76/456862576.db2.gz NNDCOSLAWDTKBF-WFASDCNBSA-N 0 0 325.368 3.371 10 5 EGBERN COc1cc(F)c(F)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000353711570 456867754 /nfs/dbraw/zinc/86/77/54/456867754.db2.gz BUCYVVRWRZEMSC-UHFFFAOYSA-N 0 0 337.282 3.203 10 5 EGBERN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ncccc1C ZINC000341666076 456891462 /nfs/dbraw/zinc/89/14/62/456891462.db2.gz MWUSONFZCFPDRP-UHFFFAOYSA-N 0 0 329.356 3.282 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(-n2cc(Cl)cn2)n1 ZINC000345044398 456908094 /nfs/dbraw/zinc/90/80/94/456908094.db2.gz OZRGPXRWEVNXTB-UHFFFAOYSA-N 0 0 344.762 3.144 10 5 EGBERN CO[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000349192195 456908935 /nfs/dbraw/zinc/90/89/35/456908935.db2.gz AZOWJBPLXOBUSK-LLVKDONJSA-N 0 0 334.294 3.014 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000345159512 456947448 /nfs/dbraw/zinc/94/74/48/456947448.db2.gz MERXDKGKSKSQBW-ZDUSSCGKSA-N 0 0 345.399 3.355 10 5 EGBERN O=C(NCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000339117099 456948571 /nfs/dbraw/zinc/94/85/71/456948571.db2.gz APEPTDCTLSZJQD-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN O=C(NCCCc1ccc(O)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000345187258 456959457 /nfs/dbraw/zinc/95/94/57/456959457.db2.gz IIIBBFHSBDFYPR-UHFFFAOYSA-N 0 0 339.351 3.144 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc[nH]1 ZINC000345193622 456962011 /nfs/dbraw/zinc/96/20/11/456962011.db2.gz WXWJIBWREQPDRM-UHFFFAOYSA-N 0 0 339.804 3.027 10 5 EGBERN Cc1nc2cc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH]1 ZINC000358857899 457008832 /nfs/dbraw/zinc/00/88/32/457008832.db2.gz GIPULGMGJFDUCU-UHFFFAOYSA-N 0 0 334.339 3.086 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(Cn3cccn3)cc2)n1 ZINC000359100313 457054918 /nfs/dbraw/zinc/05/49/18/457054918.db2.gz DDHOINPGYOGJSW-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN Cc1cc(=NC(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000362730049 457067371 /nfs/dbraw/zinc/06/73/71/457067371.db2.gz UHHSNDWYWISVOF-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC(=O)CC1 ZINC000330810143 457089183 /nfs/dbraw/zinc/08/91/83/457089183.db2.gz NZBYAHYXIFPGOV-UHFFFAOYSA-N 0 0 330.262 3.311 10 5 EGBERN COc1cccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000346661908 457100181 /nfs/dbraw/zinc/10/01/81/457100181.db2.gz TZYLEVGLVFHREO-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN CC[C@@H](NC(=O)NC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000354162200 457101563 /nfs/dbraw/zinc/10/15/63/457101563.db2.gz JOOGKULCPSPGBC-OAHLLOKOSA-N 0 0 335.404 3.304 10 5 EGBERN Cc1ccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000359815620 457132338 /nfs/dbraw/zinc/13/23/38/457132338.db2.gz XMNLFNQZRKNILY-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000346737399 457139565 /nfs/dbraw/zinc/13/95/65/457139565.db2.gz DCGOQYRNGSUBHF-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000356740481 457143560 /nfs/dbraw/zinc/14/35/60/457143560.db2.gz ZWKXQNXSSWDEDI-HQJQHLMTSA-N 0 0 327.178 3.194 10 5 EGBERN COc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000362897034 457145525 /nfs/dbraw/zinc/14/55/25/457145525.db2.gz OXUJRVWJUATOFA-OAHLLOKOSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342246986 457189122 /nfs/dbraw/zinc/18/91/22/457189122.db2.gz GKKAVMOYCSDQDD-SMDDNHRTSA-N 0 0 347.415 3.136 10 5 EGBERN Cc1cn2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc2n1 ZINC000354392500 457195446 /nfs/dbraw/zinc/19/54/46/457195446.db2.gz POHBZXBZRYXFJE-UHFFFAOYSA-N 0 0 348.160 3.452 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1nccs1)C(F)(F)F ZINC000356904306 457209813 /nfs/dbraw/zinc/20/98/13/457209813.db2.gz BYRAZXNNTJJQIM-NSHDSACASA-N 0 0 345.302 3.014 10 5 EGBERN CCCOc1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cn1 ZINC000360133974 457269508 /nfs/dbraw/zinc/26/95/08/457269508.db2.gz LGLCKUXPBYSUHD-UHFFFAOYSA-N 0 0 345.355 3.177 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000342428378 457298546 /nfs/dbraw/zinc/29/85/46/457298546.db2.gz JFSHJHLOMWHNHL-PIGZYNQJSA-N 0 0 342.351 3.246 10 5 EGBERN CC(C)CC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000342477909 457325600 /nfs/dbraw/zinc/32/56/00/457325600.db2.gz IWVYLRYRHMNNJE-UHFFFAOYSA-N 0 0 326.343 3.358 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977661 457326526 /nfs/dbraw/zinc/32/65/26/457326526.db2.gz IXWNJSWJMLCAKE-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2ccc(Cl)cc21 ZINC000342481847 457328049 /nfs/dbraw/zinc/32/80/49/457328049.db2.gz XBROIXWPKQSJFO-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000373911371 457396268 /nfs/dbraw/zinc/39/62/68/457396268.db2.gz MDROHHCNPWEXHX-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000357267660 457410729 /nfs/dbraw/zinc/41/07/29/457410729.db2.gz KOGIJZHZGFFRMD-UHFFFAOYSA-N 0 0 342.277 3.284 10 5 EGBERN O=C(Nc1ccccc1OCc1cscn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000355760687 457416411 /nfs/dbraw/zinc/41/64/11/457416411.db2.gz CNGKZBLZHUWAMD-UHFFFAOYSA-N 0 0 344.352 3.211 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)F)C1 ZINC000425078712 457430148 /nfs/dbraw/zinc/43/01/48/457430148.db2.gz XEUYTXYMPWCUMA-CYBMUJFWSA-N 0 0 326.343 3.277 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1[C@H](C)C1CC1 ZINC000342656124 457433098 /nfs/dbraw/zinc/43/30/98/457433098.db2.gz RKGUSCMXKBABGI-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN COc1cc(CN2CCc3ccc(F)c(F)c3C2)ccc1[N+](=O)[O-] ZINC000352526750 457439965 /nfs/dbraw/zinc/43/99/65/457439965.db2.gz RJFHSOURRLNCFX-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1nnc2n1CCCCC2 ZINC000363869902 457459856 /nfs/dbraw/zinc/45/98/56/457459856.db2.gz RWYFBCRRCBAZJS-ZDUSSCGKSA-N 0 0 329.404 3.072 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000360952466 457460290 /nfs/dbraw/zinc/46/02/90/457460290.db2.gz AYGMLHONODWRPF-OAHLLOKOSA-N 0 0 332.379 3.470 10 5 EGBERN CCCCCOC1CN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000342706632 457468585 /nfs/dbraw/zinc/46/85/85/457468585.db2.gz VUKVYEIQGGNGEY-UHFFFAOYSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1nn(C)c(NC[C@H](CC(C)C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000425270190 457478006 /nfs/dbraw/zinc/47/80/06/457478006.db2.gz VOKIHFHJVLMQCJ-LBPRGKRZSA-N 0 0 340.424 3.053 10 5 EGBERN COc1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000352575917 457478433 /nfs/dbraw/zinc/47/84/33/457478433.db2.gz DNEZJMKNFHTGAU-JTQLQIEISA-N 0 0 344.346 3.470 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H](OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369981774 457486424 /nfs/dbraw/zinc/48/64/24/457486424.db2.gz DEGBSOJTRTXXEI-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCO1 ZINC000357398696 457494520 /nfs/dbraw/zinc/49/45/20/457494520.db2.gz HSGGOHHSBSFFLM-INIZCTEOSA-N 0 0 328.328 3.076 10 5 EGBERN O=[N+]([O-])c1cnccc1NCC1(CCOCc2ccccc2)CC1 ZINC000361001291 457501642 /nfs/dbraw/zinc/50/16/42/457501642.db2.gz FZUVGLQEPNAPIF-UHFFFAOYSA-N 0 0 327.384 3.211 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCc3cccc(OC)c32)c([N+](=O)[O-])c1 ZINC000347607892 457546891 /nfs/dbraw/zinc/54/68/91/457546891.db2.gz TWUIFDYCHNSIPH-CYBMUJFWSA-N 0 0 342.351 3.281 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000357490420 457560206 /nfs/dbraw/zinc/56/02/06/457560206.db2.gz GYRFFMZSSYJCOW-UHFFFAOYSA-N 0 0 347.396 3.040 10 5 EGBERN C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408161367 457560914 /nfs/dbraw/zinc/56/09/14/457560914.db2.gz YRCFSKSLIFTYGL-LLVKDONJSA-N 0 0 328.372 3.045 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)(C2CC2)CC1 ZINC000352733907 457567688 /nfs/dbraw/zinc/56/76/88/457567688.db2.gz IKVMMWGLNYTFDR-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1c2ccccc2CC[C@H]1CCO ZINC000425493055 457576123 /nfs/dbraw/zinc/57/61/23/457576123.db2.gz PZUNHXSFMCIGRO-INIZCTEOSA-N 0 0 342.395 3.177 10 5 EGBERN CC[C@@H](NC(=O)N1CCC2(CCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000374312791 457580931 /nfs/dbraw/zinc/58/09/31/457580931.db2.gz GIAPUHILZGAUCZ-OAHLLOKOSA-N 0 0 333.388 3.010 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)no1 ZINC000357581191 457606164 /nfs/dbraw/zinc/60/61/64/457606164.db2.gz MODHKBZGILAKQL-SNVBAGLBSA-N 0 0 336.348 3.086 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2sccc2C1 ZINC000361148887 457613650 /nfs/dbraw/zinc/61/36/50/457613650.db2.gz IDFJIQFTAACQQF-UHFFFAOYSA-N 0 0 338.335 3.062 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC12CC2 ZINC000425676615 457627712 /nfs/dbraw/zinc/62/77/12/457627712.db2.gz UKMAJQFYWYTZHA-SNVBAGLBSA-N 0 0 326.150 3.031 10 5 EGBERN Cc1ccncc1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361409063 457721449 /nfs/dbraw/zinc/72/14/49/457721449.db2.gz FINYBNTYTXVISA-UHFFFAOYSA-N 0 0 348.790 3.022 10 5 EGBERN CNc1c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000443397491 457758792 /nfs/dbraw/zinc/75/87/92/457758792.db2.gz GDBQMPDLELPXOY-UHFFFAOYSA-N 0 0 347.415 3.200 10 5 EGBERN CC(C)c1cccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000457698456 457797524 /nfs/dbraw/zinc/79/75/24/457797524.db2.gz GGCZTJYTULHGMB-UHFFFAOYSA-N 0 0 339.395 3.241 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000457902879 457864766 /nfs/dbraw/zinc/86/47/66/457864766.db2.gz CTAHWHLDUWAECO-AWEZNQCLSA-N 0 0 327.384 3.439 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000366606288 457867481 /nfs/dbraw/zinc/86/74/81/457867481.db2.gz YVCMZUNFVSOXLD-AWEZNQCLSA-N 0 0 349.394 3.295 10 5 EGBERN CC[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC000426673503 457875571 /nfs/dbraw/zinc/87/55/71/457875571.db2.gz FZTZDZILTCERTC-LLVKDONJSA-N 0 0 349.412 3.309 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(Cl)c2C1 ZINC000458044150 457913881 /nfs/dbraw/zinc/91/38/81/457913881.db2.gz VUWRGUDWSKERNM-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN C[C@@H](Sc1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358296340 457918700 /nfs/dbraw/zinc/91/87/00/457918700.db2.gz YMHINOGQLHJJFM-MRVPVSSYSA-N 0 0 338.776 3.158 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427118641 457944872 /nfs/dbraw/zinc/94/48/72/457944872.db2.gz ZSGGHJWGJPZVDS-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000375589840 457981545 /nfs/dbraw/zinc/98/15/45/457981545.db2.gz DNQBSRYQOJDTKX-KRWDZBQOSA-N 0 0 347.321 3.148 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000375589841 457982056 /nfs/dbraw/zinc/98/20/56/457982056.db2.gz DNQBSRYQOJDTKX-QGZVFWFLSA-N 0 0 347.321 3.148 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000358407588 457983903 /nfs/dbraw/zinc/98/39/03/457983903.db2.gz QFNYFPZKYYIJJT-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN CCc1onc(C)c1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000358419580 457992795 /nfs/dbraw/zinc/99/27/95/457992795.db2.gz BIYJCZSRDKCYKE-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000371591475 457999351 /nfs/dbraw/zinc/99/93/51/457999351.db2.gz DYPHYWFOUKEFKX-UHFFFAOYSA-N 0 0 348.362 3.319 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000427637204 458011524 /nfs/dbraw/zinc/01/15/24/458011524.db2.gz OLDDJMVVOKBAIT-GFCCVEGCSA-N 0 0 344.367 3.012 10 5 EGBERN C[C@@H]1N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368222563 458020374 /nfs/dbraw/zinc/02/03/74/458020374.db2.gz LYPLQVBTJGOZAP-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000411974117 458027295 /nfs/dbraw/zinc/02/72/95/458027295.db2.gz SUMXBALVESSWQP-DDTOSNHZSA-N 0 0 331.397 3.341 10 5 EGBERN O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000428038107 458069845 /nfs/dbraw/zinc/06/98/45/458069845.db2.gz WKOQTPJIIDLWQV-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327981 458116299 /nfs/dbraw/zinc/11/62/99/458116299.db2.gz JRCINFFEZOJMHL-IONNQARKSA-N 0 0 342.193 3.443 10 5 EGBERN CC1(C2(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000458628466 458116782 /nfs/dbraw/zinc/11/67/82/458116782.db2.gz KKECTUMOJGFFQQ-UHFFFAOYSA-N 0 0 337.807 3.423 10 5 EGBERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000412214642 458130924 /nfs/dbraw/zinc/13/09/24/458130924.db2.gz MHSOUFXUIIZAQE-LSDHHAIUSA-N 0 0 345.424 3.164 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000376140645 458210241 /nfs/dbraw/zinc/21/02/41/458210241.db2.gz NDDORVTYCNTQAJ-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN COc1cc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000428938052 458234821 /nfs/dbraw/zinc/23/48/21/458234821.db2.gz HSYKEEGZVIUSMQ-ZDUSSCGKSA-N 0 0 348.321 3.145 10 5 EGBERN COc1cccc(C(=O)N(CC(F)F)CC2CCC2)c1[N+](=O)[O-] ZINC000436031878 458239975 /nfs/dbraw/zinc/23/99/75/458239975.db2.gz LAKUSBMYWCIBTI-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000412691864 458271941 /nfs/dbraw/zinc/27/19/41/458271941.db2.gz MIBFPOYUSFITGZ-QEJZJMRPSA-N 0 0 342.399 3.031 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)C(C)(C)c1ccccc1 ZINC000447183339 458272066 /nfs/dbraw/zinc/27/20/66/458272066.db2.gz CYWFQZKYIAMMOE-UHFFFAOYSA-N 0 0 349.408 3.454 10 5 EGBERN COc1ccc(Cl)cc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447674796 458328003 /nfs/dbraw/zinc/32/80/03/458328003.db2.gz GZIPVRASONYQKH-UHFFFAOYSA-N 0 0 332.747 3.167 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](C4CCCCC4)C3)nc2c1 ZINC000447693816 458330115 /nfs/dbraw/zinc/33/01/15/458330115.db2.gz OICDKFYQEBZYDL-MRXNPFEDSA-N 0 0 330.388 3.257 10 5 EGBERN CC[C@@H](NC(=O)c1cc(OC)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000436728243 458370081 /nfs/dbraw/zinc/37/00/81/458370081.db2.gz JGWPQEVIJUHEAE-OAHLLOKOSA-N 0 0 330.340 3.190 10 5 EGBERN CC1=C[C@H](C)CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269644 458431727 /nfs/dbraw/zinc/43/17/27/458431727.db2.gz ROORLNXHPJLDJT-CMPLNLGQSA-N 0 0 337.807 3.473 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000437320185 458444375 /nfs/dbraw/zinc/44/43/75/458444375.db2.gz FESVGVRENQYQAE-JKSUJKDBSA-N 0 0 349.346 3.135 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000459894170 458490084 /nfs/dbraw/zinc/49/00/84/458490084.db2.gz VLAGFCWSSKUFLU-ZDUSSCGKSA-N 0 0 342.351 3.281 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]1C1CC1 ZINC000452500302 458501100 /nfs/dbraw/zinc/50/11/00/458501100.db2.gz OVOVTTFFANJIEB-KRWDZBQOSA-N 0 0 332.403 3.166 10 5 EGBERN CC(C)[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468891524 458541769 /nfs/dbraw/zinc/54/17/69/458541769.db2.gz HRZXGUSBPNILHM-HZMBPMFUSA-N 0 0 347.337 3.488 10 5 EGBERN Cc1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1Br ZINC000438322164 458562694 /nfs/dbraw/zinc/56/26/94/458562694.db2.gz UBNKGRBGQRFXAX-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCc2ncsc2C1 ZINC000438944085 458632789 /nfs/dbraw/zinc/63/27/89/458632789.db2.gz XHFBMGBKTWKZEI-UHFFFAOYSA-N 0 0 337.788 3.212 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@@H]4CCOC4)C3)ccc2c1 ZINC000439081684 458650295 /nfs/dbraw/zinc/65/02/95/458650295.db2.gz XNCGTXHRDNHFFC-HUUCEWRRSA-N 0 0 327.384 3.396 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546776114 458674742 /nfs/dbraw/zinc/67/47/42/458674742.db2.gz CTXICSQICVONNY-UHFFFAOYSA-N 0 0 334.397 3.260 10 5 EGBERN CCOC(=O)CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000494621992 458711677 /nfs/dbraw/zinc/71/16/77/458711677.db2.gz VDLSDXHECNLNEA-UHFFFAOYSA-N 0 0 326.780 3.166 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C(C)(C)C)CC1 ZINC000530514489 458782360 /nfs/dbraw/zinc/78/23/60/458782360.db2.gz FKULDSPJOYVUBK-UHFFFAOYSA-N 0 0 349.431 3.300 10 5 EGBERN COC(=O)c1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000457082424 458859142 /nfs/dbraw/zinc/85/91/42/458859142.db2.gz IRPOHQGRXJFGJD-UHFFFAOYSA-N 0 0 348.399 3.421 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000555898677 458917704 /nfs/dbraw/zinc/91/77/04/458917704.db2.gz LGRHXNFVFNAFKY-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000566478280 458945170 /nfs/dbraw/zinc/94/51/70/458945170.db2.gz NHJGGMHYEGNHLY-ZIAGYGMSSA-N 0 0 349.431 3.125 10 5 EGBERN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628095 458947733 /nfs/dbraw/zinc/94/77/33/458947733.db2.gz FCJUXLCOIWPWFN-INIZCTEOSA-N 0 0 329.331 3.400 10 5 EGBERN O=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531633307 458949232 /nfs/dbraw/zinc/94/92/32/458949232.db2.gz AIKWNUVUIADHBA-UHFFFAOYSA-N 0 0 327.218 3.141 10 5 EGBERN O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531635058 458949703 /nfs/dbraw/zinc/94/97/03/458949703.db2.gz DRVYEUKGWDDZTP-UHFFFAOYSA-N 0 0 345.786 3.495 10 5 EGBERN CC(C)C[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577292455 459011924 /nfs/dbraw/zinc/01/19/24/459011924.db2.gz GLXIWURSQRJGOW-LBPRGKRZSA-N 0 0 332.404 3.352 10 5 EGBERN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000532134350 459034834 /nfs/dbraw/zinc/03/48/34/459034834.db2.gz MOAYENVFDHOQPM-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COCCOc1ccc(CNc2c(OC)cccc2[N+](=O)[O-])cc1 ZINC000577528189 459046666 /nfs/dbraw/zinc/04/66/66/459046666.db2.gz FGAYCNLCHMIGLJ-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000477995256 459069936 /nfs/dbraw/zinc/06/99/36/459069936.db2.gz ODHKWTNOJLLOLQ-CABCVRRESA-N 0 0 347.415 3.246 10 5 EGBERN CC(C)(C)c1ccc(NCc2nnn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000594548905 459086071 /nfs/dbraw/zinc/08/60/71/459086071.db2.gz XHHMYARSNAOOAM-UHFFFAOYSA-N 0 0 332.408 3.246 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594564336 459091957 /nfs/dbraw/zinc/09/19/57/459091957.db2.gz SMWONGFLRIJGNJ-SHTZXODSSA-N 0 0 349.431 3.125 10 5 EGBERN O=c1[nH]c(N[C@H](C2CC2)[C@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000594589136 459099508 /nfs/dbraw/zinc/09/95/08/459099508.db2.gz CBAFFHADCVDPFV-HUUCEWRRSA-N 0 0 344.371 3.003 10 5 EGBERN CCc1csc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000594592160 459101955 /nfs/dbraw/zinc/10/19/55/459101955.db2.gz PEWNDIWDZVSIRS-UHFFFAOYSA-N 0 0 332.429 3.468 10 5 EGBERN CC[C@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594601265 459105978 /nfs/dbraw/zinc/10/59/78/459105978.db2.gz NBMUSONYHUJNGF-YOEHRIQHSA-N 0 0 349.431 3.493 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590398805 459124246 /nfs/dbraw/zinc/12/42/46/459124246.db2.gz AMTQUYOETUCUMT-INIZCTEOSA-N 0 0 339.395 3.247 10 5 EGBERN COc1c(C(=O)N2CC(F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000590444513 459132455 /nfs/dbraw/zinc/13/24/55/459132455.db2.gz OBNHQMWTROPQBI-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cncc(OCC(F)(F)F)n1 ZINC000594743735 459148658 /nfs/dbraw/zinc/14/86/58/459148658.db2.gz WAUBCYVIGDKISY-UHFFFAOYSA-N 0 0 342.277 3.246 10 5 EGBERN CC[C@](C)(NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594862834 459163231 /nfs/dbraw/zinc/16/32/31/459163231.db2.gz QVQVAXWJWJIRBY-INIZCTEOSA-N 0 0 349.412 3.000 10 5 EGBERN CO[C@H](COc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000594886749 459166618 /nfs/dbraw/zinc/16/66/18/459166618.db2.gz AHKYALWHWHNLNN-NOZJJQNGSA-N 0 0 335.278 3.044 10 5 EGBERN CC(C)O[C@@]1(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1 ZINC000594889928 459168002 /nfs/dbraw/zinc/16/80/02/459168002.db2.gz DHQWGQCRFLEPHG-QGZVFWFLSA-N 0 0 331.372 3.042 10 5 EGBERN CCOC(=O)c1nnc(SCc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000594900487 459170672 /nfs/dbraw/zinc/17/06/72/459170672.db2.gz RUCHSUGUYMHBIP-UHFFFAOYSA-N 0 0 343.361 3.054 10 5 EGBERN CNc1ccc(C(=O)N2CCc3c2c(F)ccc3F)cc1[N+](=O)[O-] ZINC000558551468 459173885 /nfs/dbraw/zinc/17/38/85/459173885.db2.gz OGIBTBOZSAKRHV-UHFFFAOYSA-N 0 0 333.294 3.118 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1C2CCCC1CCC2 ZINC000590670911 459176296 /nfs/dbraw/zinc/17/62/96/459176296.db2.gz CUWUXHKZPHVBEL-UHFFFAOYSA-N 0 0 340.383 3.328 10 5 EGBERN Cc1cccc(C(=O)NC2CCC(OC(F)F)CC2)c1[N+](=O)[O-] ZINC000590884139 459258137 /nfs/dbraw/zinc/25/81/37/459258137.db2.gz UPVRIHXRWSIDAW-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN Cc1c(CN(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1C ZINC000560011980 459291863 /nfs/dbraw/zinc/29/18/63/459291863.db2.gz ZUDOSCPSJBPHNE-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000595465096 459312178 /nfs/dbraw/zinc/31/21/78/459312178.db2.gz NYQBIZNVLZQSOE-UHFFFAOYSA-N 0 0 347.337 3.415 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCC2(CC2(F)F)CC1 ZINC000595468986 459313797 /nfs/dbraw/zinc/31/37/97/459313797.db2.gz KXPPGVUXWPJJKD-UHFFFAOYSA-N 0 0 339.342 3.362 10 5 EGBERN C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000534450889 459326919 /nfs/dbraw/zinc/32/69/19/459326919.db2.gz VWYIBAWEXKTBRD-GXSJLCMTSA-N 0 0 328.315 3.362 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595543356 459340057 /nfs/dbraw/zinc/34/00/57/459340057.db2.gz JGVIIUVDQOCLJV-RDBSUJKOSA-N 0 0 335.404 3.173 10 5 EGBERN Cc1noc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000595560197 459347543 /nfs/dbraw/zinc/34/75/43/459347543.db2.gz JOPPVQKRMIDNOK-JYJNAYRXSA-N 0 0 343.383 3.386 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000591511904 459394463 /nfs/dbraw/zinc/39/44/63/459394463.db2.gz XWFCKKFDRBDTBS-MRXNPFEDSA-N 0 0 339.395 3.311 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591539911 459399163 /nfs/dbraw/zinc/39/91/63/459399163.db2.gz XPGSOAARYQEIPX-CQSZACIVSA-N 0 0 332.400 3.238 10 5 EGBERN COc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000541099917 459426854 /nfs/dbraw/zinc/42/68/54/459426854.db2.gz JIOUATUPARHMRS-YVMONPNESA-N 0 0 327.340 3.438 10 5 EGBERN O=C(CN1CCC[C@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755372 459427835 /nfs/dbraw/zinc/42/78/35/459427835.db2.gz MEEMOCAYRQZAGJ-LLVKDONJSA-N 0 0 343.786 3.258 10 5 EGBERN COc1cc(-c2nc([C@@H]3C[C@H]3C)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000569357170 459438004 /nfs/dbraw/zinc/43/80/04/459438004.db2.gz YDACYYGODLUFDB-RNFRBKRXSA-N 0 0 341.270 3.378 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Cl)cc1 ZINC000485019464 459438539 /nfs/dbraw/zinc/43/85/39/459438539.db2.gz RUNCCVYITJCNGG-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN C[C@@H]1C[C@H]1N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000582952817 459457395 /nfs/dbraw/zinc/45/73/95/459457395.db2.gz GHLFHOQDCBIIKH-BXUZGUMPSA-N 0 0 340.335 3.379 10 5 EGBERN Cc1cccc([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000525463171 459457736 /nfs/dbraw/zinc/45/77/36/459457736.db2.gz ACLJHYYVFISWDO-LLVKDONJSA-N 0 0 340.426 3.047 10 5 EGBERN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595894306 459477846 /nfs/dbraw/zinc/47/78/46/459477846.db2.gz TZXNNBRWRVTHFR-BXKDBHETSA-N 0 0 336.285 3.276 10 5 EGBERN Cc1cc(Cc2noc(Cc3cccc(O)c3)n2)ccc1[N+](=O)[O-] ZINC000486083265 459487493 /nfs/dbraw/zinc/48/74/93/459487493.db2.gz SRJOGNJQYOULOB-UHFFFAOYSA-N 0 0 325.324 3.173 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596001788 459492650 /nfs/dbraw/zinc/49/26/50/459492650.db2.gz XWIUUHGSEJSMIG-UHFFFAOYSA-N 0 0 341.415 3.181 10 5 EGBERN Cc1cc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596003413 459493721 /nfs/dbraw/zinc/49/37/21/459493721.db2.gz QFIKZLYIQVBKEA-UHFFFAOYSA-N 0 0 343.387 3.243 10 5 EGBERN CC(C)(C)CCS(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596022921 459496835 /nfs/dbraw/zinc/49/68/35/459496835.db2.gz ZGCICCGXNGLZPA-UHFFFAOYSA-N 0 0 335.813 3.008 10 5 EGBERN CC1(CC(F)F)CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000591971583 459501143 /nfs/dbraw/zinc/50/11/43/459501143.db2.gz JGQHJYJKGIASMK-UHFFFAOYSA-N 0 0 336.136 3.234 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000591972852 459502019 /nfs/dbraw/zinc/50/20/19/459502019.db2.gz ABEKAOTZPOXOPZ-SJORKVTESA-N 0 0 347.415 3.256 10 5 EGBERN Cc1ccnc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000591986557 459505508 /nfs/dbraw/zinc/50/55/08/459505508.db2.gz FMVKSKJRMZSPKL-UHFFFAOYSA-N 0 0 335.404 3.246 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)[C@@H]1SC ZINC000591989998 459506034 /nfs/dbraw/zinc/50/60/34/459506034.db2.gz BPTHEVBTBOGCSL-KFWWJZLASA-N 0 0 333.413 3.464 10 5 EGBERN CCOC(=O)c1ccnc(NCC2CCC(F)CC2)c1[N+](=O)[O-] ZINC000591993140 459507745 /nfs/dbraw/zinc/50/77/45/459507745.db2.gz CGNVJZJEJANSNJ-UHFFFAOYSA-N 0 0 325.340 3.107 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2cn3c(cccc3C)n2)n1 ZINC000592007010 459509960 /nfs/dbraw/zinc/50/99/60/459509960.db2.gz VZXJXKQWDZQGJQ-UHFFFAOYSA-N 0 0 325.372 3.217 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000541935893 459513220 /nfs/dbraw/zinc/51/32/20/459513220.db2.gz JGVVLHMUSOZXEI-CJNGLKHVSA-N 0 0 327.384 3.435 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596084161 459513534 /nfs/dbraw/zinc/51/35/34/459513534.db2.gz VSEWTHRWAAGOKR-UHFFFAOYSA-N 0 0 341.367 3.103 10 5 EGBERN CCO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596090206 459515761 /nfs/dbraw/zinc/51/57/61/459515761.db2.gz NAQRVASBQZRWHR-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)NC(=O)c2ccccc21 ZINC000562207056 459518194 /nfs/dbraw/zinc/51/81/94/459518194.db2.gz SUTNEYAKFLBFKK-ZDUSSCGKSA-N 0 0 325.368 3.042 10 5 EGBERN COc1cc(N2CCC(n3ccnc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596098191 459520133 /nfs/dbraw/zinc/52/01/33/459520133.db2.gz PSFCTZKOWCLOEC-UHFFFAOYSA-N 0 0 336.779 3.295 10 5 EGBERN Cc1ncc2c(n1)CC[C@@H](Nc1ccnc3cc([N+](=O)[O-])ccc31)C2 ZINC000596102562 459521546 /nfs/dbraw/zinc/52/15/46/459521546.db2.gz JIMSGVJDKFKFAE-CYBMUJFWSA-N 0 0 335.367 3.211 10 5 EGBERN COc1cc(NC[C@H](O)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000596113318 459525490 /nfs/dbraw/zinc/52/54/90/459525490.db2.gz UJJVLURQPWUEIK-GFCCVEGCSA-N 0 0 336.775 3.272 10 5 EGBERN COc1cc(Sc2nnc(N(C)C)s2)c(Cl)cc1[N+](=O)[O-] ZINC000596121302 459527707 /nfs/dbraw/zinc/52/77/07/459527707.db2.gz ZGVFMSGBVOAKMM-UHFFFAOYSA-N 0 0 346.821 3.326 10 5 EGBERN COc1cc(NCc2cc3c([nH]c2=O)CCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596125398 459530324 /nfs/dbraw/zinc/53/03/24/459530324.db2.gz ABGQDUPASNBXFE-UHFFFAOYSA-N 0 0 349.774 3.458 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542204129 459533067 /nfs/dbraw/zinc/53/30/67/459533067.db2.gz IAUPBJHSBJNBCW-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000596153389 459539671 /nfs/dbraw/zinc/53/96/71/459539671.db2.gz YZEVSRIMNPNDLA-SNVBAGLBSA-N 0 0 349.774 3.473 10 5 EGBERN CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596155301 459541625 /nfs/dbraw/zinc/54/16/25/459541625.db2.gz SPKUAWNPTNHWLG-UHFFFAOYSA-N 0 0 349.774 3.456 10 5 EGBERN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000526098786 459548929 /nfs/dbraw/zinc/54/89/29/459548929.db2.gz JNEPIJBMWXYSCA-CABCVRRESA-N 0 0 325.368 3.131 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592213165 459550920 /nfs/dbraw/zinc/55/09/20/459550920.db2.gz RSZYWYPPFXKRPY-CQSZACIVSA-N 0 0 329.784 3.311 10 5 EGBERN Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]c1C(C)C ZINC000592212149 459550965 /nfs/dbraw/zinc/55/09/65/459550965.db2.gz DBUWJCNHRDYPRN-UHFFFAOYSA-N 0 0 337.767 3.469 10 5 EGBERN CC[C@]1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596204476 459559498 /nfs/dbraw/zinc/55/94/98/459559498.db2.gz WZUNGWWIYGGUHT-OAHLLOKOSA-N 0 0 342.779 3.040 10 5 EGBERN CNc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000526951764 459564125 /nfs/dbraw/zinc/56/41/25/459564125.db2.gz YFTYXWYECGOJMZ-UHFFFAOYSA-N 0 0 347.415 3.200 10 5 EGBERN O=c1[nH]ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596222521 459566179 /nfs/dbraw/zinc/56/61/79/459566179.db2.gz UYVWGJAKDXJNHJ-SNVBAGLBSA-N 0 0 331.294 3.254 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC(C2CCOCC2)C1 ZINC000596225268 459567194 /nfs/dbraw/zinc/56/71/94/459567194.db2.gz DJQSWMPZFLNPRO-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN CC(C)(C)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000542545684 459570201 /nfs/dbraw/zinc/57/02/01/459570201.db2.gz TZWPEXPCQSDRBX-UKRRQHHQSA-N 0 0 326.824 3.477 10 5 EGBERN COc1cc(N2CCC[C@](CO)(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596248229 459574255 /nfs/dbraw/zinc/57/42/55/459574255.db2.gz UQSIOJFQMZANOT-INIZCTEOSA-N 0 0 342.823 3.492 10 5 EGBERN COC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596259806 459578118 /nfs/dbraw/zinc/57/81/18/459578118.db2.gz ABZGDYCZNQYEHL-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN CCCC[C@@](C)(CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288356 459586070 /nfs/dbraw/zinc/58/60/70/459586070.db2.gz ILPRGKXKXUHTTN-HNNXBMFYSA-N 0 0 344.795 3.388 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000596291811 459587012 /nfs/dbraw/zinc/58/70/12/459587012.db2.gz GBGIJLKDQPXYPT-BXKDBHETSA-N 0 0 342.779 3.404 10 5 EGBERN CC[C@H](COCC1CC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596326441 459597402 /nfs/dbraw/zinc/59/74/02/459597402.db2.gz ISGAJDTXNAKJPC-CQSZACIVSA-N 0 0 347.415 3.104 10 5 EGBERN COC[C@H](CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000596330935 459598013 /nfs/dbraw/zinc/59/80/13/459598013.db2.gz SDKFQWMHPMGAIF-JTQLQIEISA-N 0 0 336.310 3.385 10 5 EGBERN COC[C@@H](CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000596349103 459604528 /nfs/dbraw/zinc/60/45/28/459604528.db2.gz PBEGHCITIFAMCE-AWEZNQCLSA-N 0 0 338.385 3.144 10 5 EGBERN COCCN(CCc1ccccc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542864251 459605634 /nfs/dbraw/zinc/60/56/34/459605634.db2.gz RFGPPDFDLPIRBU-UHFFFAOYSA-N 0 0 329.400 3.302 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000596366576 459609621 /nfs/dbraw/zinc/60/96/21/459609621.db2.gz CMDLCOXABQVMJL-LALPHHSUSA-N 0 0 326.368 3.020 10 5 EGBERN O=C(Cc1cccc(F)c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583895160 459614269 /nfs/dbraw/zinc/61/42/69/459614269.db2.gz ZSZXIISNNBURBD-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000499097024 459621070 /nfs/dbraw/zinc/62/10/70/459621070.db2.gz BCXNMKUVMSYXPI-ZBFHGGJFSA-N 0 0 349.431 3.301 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262756 459630518 /nfs/dbraw/zinc/63/05/18/459630518.db2.gz IIAHDWPVSMWKOI-CYBMUJFWSA-N 0 0 347.793 3.410 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCO[C@H]1CC1(F)F ZINC000596446002 459639202 /nfs/dbraw/zinc/63/92/02/459639202.db2.gz CAMRVTOOIVMXLD-JTQLQIEISA-N 0 0 326.221 3.450 10 5 EGBERN CC[C@H](NC(=O)N1CCO[C@@](C)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451828 459642137 /nfs/dbraw/zinc/64/21/37/459642137.db2.gz CKVIVCHFIWTJQM-FUHWJXTLSA-N 0 0 347.415 3.256 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000596476424 459650289 /nfs/dbraw/zinc/65/02/89/459650289.db2.gz IJYQXQWIRACXBW-OCCSQVGLSA-N 0 0 336.388 3.070 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000596481812 459652194 /nfs/dbraw/zinc/65/21/94/459652194.db2.gz HCBBMZNWAZGLKJ-QGZVFWFLSA-N 0 0 331.347 3.306 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000596503188 459659151 /nfs/dbraw/zinc/65/91/51/459659151.db2.gz IWVSWNUQXJOXIS-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN CC(C)(C)N1C[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000596519914 459664869 /nfs/dbraw/zinc/66/48/69/459664869.db2.gz NCEHIMPEWMIEJL-LBPRGKRZSA-N 0 0 342.399 3.202 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC2(CCc3ccccc3O2)CC1 ZINC000596526349 459665882 /nfs/dbraw/zinc/66/58/82/459665882.db2.gz KJXQZRRDWKAXJK-UHFFFAOYSA-N 0 0 325.368 3.354 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC(c3ccon3)CC1)CCCC2 ZINC000596526236 459665933 /nfs/dbraw/zinc/66/59/33/459665933.db2.gz JXSSXWKNUDXBEP-UHFFFAOYSA-N 0 0 328.372 3.241 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2ccccc2F)CCC1 ZINC000592690319 459666712 /nfs/dbraw/zinc/66/67/12/459666712.db2.gz OCXMPAGVRCVGIM-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3ccon3)CC2)c(C(F)(F)F)c1 ZINC000596527973 459666856 /nfs/dbraw/zinc/66/68/56/459666856.db2.gz YZZLGSLKUDTJRK-UHFFFAOYSA-N 0 0 342.277 3.381 10 5 EGBERN CC(C)(C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1)n1cc([N+](=O)[O-])cn1 ZINC000592696136 459668536 /nfs/dbraw/zinc/66/85/36/459668536.db2.gz SYKJCUHUZBPGNM-DZGCQCFKSA-N 0 0 348.447 3.201 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000596553366 459674621 /nfs/dbraw/zinc/67/46/21/459674621.db2.gz FIYPNDQRKHJFIF-VHSXEESVSA-N 0 0 334.294 3.150 10 5 EGBERN NC(=O)CC1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000596556742 459674875 /nfs/dbraw/zinc/67/48/75/459674875.db2.gz VAHJZFNHQYNGSZ-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000596554937 459675044 /nfs/dbraw/zinc/67/50/44/459675044.db2.gz YIDMLHZIGRFZEN-UHFFFAOYSA-N 0 0 342.804 3.144 10 5 EGBERN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555994 459675121 /nfs/dbraw/zinc/67/51/21/459675121.db2.gz WDSDBWOINTWGFE-YUMQZZPRSA-N 0 0 339.701 3.189 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000596560673 459677073 /nfs/dbraw/zinc/67/70/73/459677073.db2.gz OGIDCRUUVATIPG-UHFFFAOYSA-N 0 0 325.340 3.053 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCC1CCC(F)CC1 ZINC000592722803 459677080 /nfs/dbraw/zinc/67/70/80/459677080.db2.gz RYHVEDXAMSAPOU-UHFFFAOYSA-N 0 0 326.393 3.331 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000592733356 459678631 /nfs/dbraw/zinc/67/86/31/459678631.db2.gz FHFKLEDVNKFQRZ-LPEHRKFASA-N 0 0 339.189 3.276 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCCC[C@@H]2C2CCC2)cc([N+](=O)[O-])c1 ZINC000592734302 459678617 /nfs/dbraw/zinc/67/86/17/459678617.db2.gz FABGHWXERIOLJT-MRXNPFEDSA-N 0 0 346.383 3.176 10 5 EGBERN CC(C)Oc1nc(N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000596569191 459680135 /nfs/dbraw/zinc/68/01/35/459680135.db2.gz VHTZMVNPPHRELE-HDICACEKSA-N 0 0 347.415 3.174 10 5 EGBERN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596576072 459683379 /nfs/dbraw/zinc/68/33/79/459683379.db2.gz ZDAJBXTYNZSFBD-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN Cn1ncc2ccc(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)cc21 ZINC000563035507 459702233 /nfs/dbraw/zinc/70/22/33/459702233.db2.gz FUMQBENAAMRRII-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000584301553 459705846 /nfs/dbraw/zinc/70/58/46/459705846.db2.gz XEUWEMLMDSOWOT-GFCCVEGCSA-N 0 0 329.331 3.067 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596634380 459706431 /nfs/dbraw/zinc/70/64/31/459706431.db2.gz FWROMWCYRVOLLG-HDICACEKSA-N 0 0 345.399 3.328 10 5 EGBERN CC1(C)C(=O)Nc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc21 ZINC000596647326 459712356 /nfs/dbraw/zinc/71/23/56/459712356.db2.gz FXRUORFXXQZTMW-UHFFFAOYSA-N 0 0 326.352 3.026 10 5 EGBERN COc1cc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000592899797 459716103 /nfs/dbraw/zinc/71/61/03/459716103.db2.gz FDZUUKNBHWURGO-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN CC(C)[C@@H]1N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592899972 459716197 /nfs/dbraw/zinc/71/61/97/459716197.db2.gz GCRPAEOVELTPBC-SFHVURJKSA-N 0 0 343.427 3.234 10 5 EGBERN COC1CC(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596659587 459718343 /nfs/dbraw/zinc/71/83/43/459718343.db2.gz MXOUZPQCFDVNNS-UHFFFAOYSA-N 0 0 347.415 3.084 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596824916 459771682 /nfs/dbraw/zinc/77/16/82/459771682.db2.gz SAECRAVUQCXVJR-LLVKDONJSA-N 0 0 347.293 3.088 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596837706 459775326 /nfs/dbraw/zinc/77/53/26/459775326.db2.gz WMDTWWUIGWJWSG-CYBMUJFWSA-N 0 0 333.388 3.387 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c(C2CCC2)cnn1C ZINC000596841002 459776304 /nfs/dbraw/zinc/77/63/04/459776304.db2.gz CJIXUSICBCUFQF-UHFFFAOYSA-N 0 0 343.387 3.226 10 5 EGBERN CC(C)(C)OC(=O)CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000593131835 459783287 /nfs/dbraw/zinc/78/32/87/459783287.db2.gz LOWTVQFAARTRBU-UHFFFAOYSA-N 0 0 349.387 3.371 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593131166 459783492 /nfs/dbraw/zinc/78/34/92/459783492.db2.gz HHWZNVSJWHWWHL-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN CC(C)(NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000574234037 459794220 /nfs/dbraw/zinc/79/42/20/459794220.db2.gz UWNKPUJZSNUVMJ-UHFFFAOYSA-N 0 0 334.322 3.467 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593168834 459794338 /nfs/dbraw/zinc/79/43/38/459794338.db2.gz XUJKWIGAIOPDAG-AWEZNQCLSA-N 0 0 325.315 3.475 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593167609 459794488 /nfs/dbraw/zinc/79/44/88/459794488.db2.gz AYLSDPVFRZUNBR-MWLCHTKSSA-N 0 0 348.296 3.466 10 5 EGBERN CC(C)(C)OC(=O)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000593182301 459799855 /nfs/dbraw/zinc/79/98/55/459799855.db2.gz GVYGQNPYYDRKCM-UHFFFAOYSA-N 0 0 349.387 3.371 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@@H]2CCCOC2)c1 ZINC000593189922 459802058 /nfs/dbraw/zinc/80/20/58/459802058.db2.gz CHJCCRJYMPVXDO-LLVKDONJSA-N 0 0 325.386 3.041 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000593204944 459807402 /nfs/dbraw/zinc/80/74/02/459807402.db2.gz QIDUKDMFGRAERP-KYOSRNDESA-N 0 0 333.388 3.334 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000593297116 459833332 /nfs/dbraw/zinc/83/33/32/459833332.db2.gz XODFZNAVJIMLAR-GFCCVEGCSA-N 0 0 346.305 3.255 10 5 EGBERN Cc1ccc(CS(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1C ZINC000585708303 459835981 /nfs/dbraw/zinc/83/59/81/459835981.db2.gz REYUJFGSXIDEPM-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN CC[C@@H](CSC)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102310 459837391 /nfs/dbraw/zinc/83/73/91/459837391.db2.gz WVECPCNJWMEXRC-QMMMGPOBSA-N 0 0 332.813 3.094 10 5 EGBERN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000597138510 459850308 /nfs/dbraw/zinc/85/03/08/459850308.db2.gz RXSKWFVNDCLOCE-HNNXBMFYSA-N 0 0 341.415 3.291 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298701 459853111 /nfs/dbraw/zinc/85/31/11/459853111.db2.gz MOTZGUZAJOKZDL-FRRDWIJNSA-N 0 0 338.429 3.101 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598309007 459859798 /nfs/dbraw/zinc/85/97/98/459859798.db2.gz LZLTZJOEMNVOPL-LSDHHAIUSA-N 0 0 332.400 3.451 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000593357486 459861348 /nfs/dbraw/zinc/86/13/48/459861348.db2.gz GGJMUUPLHYANBL-GFCCVEGCSA-N 0 0 336.388 3.096 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000586777057 459870097 /nfs/dbraw/zinc/87/00/97/459870097.db2.gz DHUULBNUUPKOFL-PRHODGIISA-N 0 0 338.713 3.400 10 5 EGBERN C[C@H](CC(F)(F)F)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545918626 459871716 /nfs/dbraw/zinc/87/17/16/459871716.db2.gz ZRQBPVIWUGQIFL-SECBINFHSA-N 0 0 331.294 3.003 10 5 EGBERN CC1(C)[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(F)F ZINC000598341277 459872255 /nfs/dbraw/zinc/87/22/55/459872255.db2.gz RPSVDFQLVQFCMD-LBPRGKRZSA-N 0 0 335.310 3.164 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1[N+](=O)[O-] ZINC000598354639 459877389 /nfs/dbraw/zinc/87/73/89/459877389.db2.gz YBMRGTJDOPFJPI-WMZOPIPTSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000598354322 459877416 /nfs/dbraw/zinc/87/74/16/459877416.db2.gz RQYKHLLAFUVXDP-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1cnc(C)nc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000574823238 459878716 /nfs/dbraw/zinc/87/87/16/459878716.db2.gz JDKSPWSGQJPXTG-UHFFFAOYSA-N 0 0 326.278 3.054 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CCC2 ZINC000598363049 459878833 /nfs/dbraw/zinc/87/88/33/459878833.db2.gz FORULDADBGBMCN-UHFFFAOYSA-N 0 0 344.371 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000598377676 459883166 /nfs/dbraw/zinc/88/31/66/459883166.db2.gz CGLOGWRHBRFJNY-QGZVFWFLSA-N 0 0 339.395 3.254 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)o2)c1 ZINC000597229639 459885027 /nfs/dbraw/zinc/88/50/27/459885027.db2.gz HKCQZRJYMDJSAB-LSDHHAIUSA-N 0 0 328.368 3.323 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CCC2)C1 ZINC000598400428 459889575 /nfs/dbraw/zinc/88/95/75/459889575.db2.gz OFZDSYOISAHOLM-HNNXBMFYSA-N 0 0 332.400 3.402 10 5 EGBERN Nc1cc(N2CC=C(c3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587057359 459890618 /nfs/dbraw/zinc/89/06/18/459890618.db2.gz UYHCPQXXBNVYDG-UHFFFAOYSA-N 0 0 343.358 3.102 10 5 EGBERN O=c1[nH]c(NCCCCc2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000587068400 459891312 /nfs/dbraw/zinc/89/13/12/459891312.db2.gz BCGOUWUUTIFIID-UHFFFAOYSA-N 0 0 338.367 3.100 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000587079503 459891564 /nfs/dbraw/zinc/89/15/64/459891564.db2.gz XFGWLZIZMQUMDH-LLVKDONJSA-N 0 0 345.355 3.348 10 5 EGBERN COC(=O)c1cc(C)nc(N(Cc2ccc(C)o2)C2CC2)c1[N+](=O)[O-] ZINC000587313781 459892531 /nfs/dbraw/zinc/89/25/31/459892531.db2.gz SNHOXHIVJADUSY-UHFFFAOYSA-N 0 0 345.355 3.155 10 5 EGBERN Nc1cc(NCCc2ccc(Cl)s2)cc(CO)c1[N+](=O)[O-] ZINC000587295729 459892550 /nfs/dbraw/zinc/89/25/50/459892550.db2.gz JTLVVSLNSHVCLI-UHFFFAOYSA-N 0 0 327.793 3.039 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@@H](C)O ZINC000597249605 459895613 /nfs/dbraw/zinc/89/56/13/459895613.db2.gz WCCSGOMPCUZYTJ-ACJLOTCBSA-N 0 0 330.384 3.205 10 5 EGBERN O=C(CCNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCCCCC1 ZINC000593459189 459895712 /nfs/dbraw/zinc/89/57/12/459895712.db2.gz XRKAWFZSNNOHFM-UHFFFAOYSA-N 0 0 342.399 3.348 10 5 EGBERN C[C@H]1C[C@@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979590 459896991 /nfs/dbraw/zinc/89/69/91/459896991.db2.gz PBROSBKCNXEBFW-GXTWGEPZSA-N 0 0 327.384 3.052 10 5 EGBERN Nc1cc(N2CC[C@H](c3ccc(Cl)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587975716 459897009 /nfs/dbraw/zinc/89/70/09/459897009.db2.gz UWRVPKNTMVGXSD-LBPRGKRZSA-N 0 0 347.802 3.317 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976207 459897457 /nfs/dbraw/zinc/89/74/57/459897457.db2.gz XOTYTQAZILKYRB-KXBFYZLASA-N 0 0 342.395 3.436 10 5 EGBERN Cc1ccncc1N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593473363 459899726 /nfs/dbraw/zinc/89/97/26/459899726.db2.gz BGNBZHUARMSVAL-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3cccnc3)CC2)s1 ZINC000588010545 459901555 /nfs/dbraw/zinc/90/15/55/459901555.db2.gz VFJGQPKYDGNLIM-UHFFFAOYSA-N 0 0 341.396 3.379 10 5 EGBERN C[C@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCc2ccccc21 ZINC000588012266 459902103 /nfs/dbraw/zinc/90/21/03/459902103.db2.gz KUUXGWCLDZUZQI-LJQANCHMSA-N 0 0 341.411 3.375 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000593481961 459902407 /nfs/dbraw/zinc/90/24/07/459902407.db2.gz LXGCMKNDHBVDID-LESCRADOSA-N 0 0 327.384 3.273 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1[N+](=O)[O-] ZINC000598456077 459902483 /nfs/dbraw/zinc/90/24/83/459902483.db2.gz HFMHVQOXARUEHQ-ARFHVFGLSA-N 0 0 326.327 3.110 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCc3ccccc32)c1 ZINC000598469485 459905942 /nfs/dbraw/zinc/90/59/42/459905942.db2.gz NLAIRJMBKJFGMW-CQSZACIVSA-N 0 0 340.379 3.405 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598470795 459906354 /nfs/dbraw/zinc/90/63/54/459906354.db2.gz SKVQCHMYZFIRFH-OAHLLOKOSA-N 0 0 340.379 3.162 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(CO)CCC2)nc1-c1ccc(F)cc1 ZINC000593512496 459913219 /nfs/dbraw/zinc/91/32/19/459913219.db2.gz VXVNRUPNPAKYHE-UHFFFAOYSA-N 0 0 345.374 3.182 10 5 EGBERN CCOC(=O)c1cc(N2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593521139 459913894 /nfs/dbraw/zinc/91/38/94/459913894.db2.gz LCXGZXKGPUPZNF-CQSZACIVSA-N 0 0 326.299 3.007 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cn1 ZINC000593520586 459914306 /nfs/dbraw/zinc/91/43/06/459914306.db2.gz QYCOBIJAMDISDF-ULQDDVLXSA-N 0 0 325.368 3.489 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC2(CC2)C1 ZINC000613726242 459914503 /nfs/dbraw/zinc/91/45/03/459914503.db2.gz IROQLUFAGLZXNF-UHFFFAOYSA-N 0 0 326.299 3.212 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588180137 459926158 /nfs/dbraw/zinc/92/61/58/459926158.db2.gz JVNDWYUXDMDNRT-BXKDBHETSA-N 0 0 330.356 3.379 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000598509967 459926240 /nfs/dbraw/zinc/92/62/40/459926240.db2.gz VSRDQQCUAWCYND-GHMZBOCLSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597406151 459941317 /nfs/dbraw/zinc/94/13/17/459941317.db2.gz AUYZBJSVTLVIRT-QWHCGFSZSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@@H]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597407441 459942382 /nfs/dbraw/zinc/94/23/82/459942382.db2.gz SXDGRNXCXDTMQO-OLZOCXBDSA-N 0 0 341.415 3.498 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC1(F)F ZINC000588299473 459942989 /nfs/dbraw/zinc/94/29/89/459942989.db2.gz CWHUAEFCJRVNPT-GFCCVEGCSA-N 0 0 329.303 3.303 10 5 EGBERN CC12CC(C1)CN2c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC000597408490 459943824 /nfs/dbraw/zinc/94/38/24/459943824.db2.gz XKETYNUDFLDEQY-UHFFFAOYSA-N 0 0 339.399 3.252 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000598575544 459945864 /nfs/dbraw/zinc/94/58/64/459945864.db2.gz WIHIKRZANDWAGA-MRXNPFEDSA-N 0 0 342.342 3.016 10 5 EGBERN Cc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000588345895 459949091 /nfs/dbraw/zinc/94/90/91/459949091.db2.gz SNMCYWFZPJCJTK-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN C[C@H]1c2ccccc2OCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618286833 459956538 /nfs/dbraw/zinc/95/65/38/459956538.db2.gz NFQPNOOPGBFBGS-LBPRGKRZSA-N 0 0 338.367 3.427 10 5 EGBERN C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCO1 ZINC000597468077 459964271 /nfs/dbraw/zinc/96/42/71/459964271.db2.gz OXIGIKUFMIAEEO-CXAGYDPISA-N 0 0 332.400 3.291 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOc3ncccc3C2)nc1-c1ccccc1 ZINC000613915027 459964637 /nfs/dbraw/zinc/96/46/37/459964637.db2.gz DCJJWIGGWCYCFC-UHFFFAOYSA-N 0 0 348.362 3.451 10 5 EGBERN COC(=O)c1ccnc(N2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000598623701 459967121 /nfs/dbraw/zinc/96/71/21/459967121.db2.gz BGWFJUGLCNONDM-UHFFFAOYSA-N 0 0 343.339 3.053 10 5 EGBERN CCSCC[C@@H](C)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739549 459969553 /nfs/dbraw/zinc/96/95/53/459969553.db2.gz AOFUUOZYDSCVTC-LLVKDONJSA-N 0 0 326.418 3.257 10 5 EGBERN Cc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575409442 459970623 /nfs/dbraw/zinc/97/06/23/459970623.db2.gz LQTASJQNKRIOJR-STQMWFEESA-N 0 0 349.431 3.381 10 5 EGBERN Cc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575409441 459970723 /nfs/dbraw/zinc/97/07/23/459970723.db2.gz LQTASJQNKRIOJR-CHWSQXEVSA-N 0 0 349.431 3.381 10 5 EGBERN CC[N@H+](CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCCCC1 ZINC000593786355 459985497 /nfs/dbraw/zinc/98/54/97/459985497.db2.gz MTLMYVIJQCKFPT-UHFFFAOYSA-N 0 0 349.431 3.075 10 5 EGBERN COC(=O)c1cc(C)nc(NC2(C(F)F)CCCC2)c1[N+](=O)[O-] ZINC000588861106 459994537 /nfs/dbraw/zinc/99/45/37/459994537.db2.gz GURLNAAFHSANAY-UHFFFAOYSA-N 0 0 329.303 3.075 10 5 EGBERN CC(C)N(CC(F)(F)F)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588875292 459995712 /nfs/dbraw/zinc/99/57/12/459995712.db2.gz BJRGRDYNLQKRTJ-UHFFFAOYSA-N 0 0 340.248 3.215 10 5 EGBERN COc1ccc(CC(=O)NCC[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000609656273 460003768 /nfs/dbraw/zinc/00/37/68/460003768.db2.gz GRBJUOWCGWVUCG-ZIAGYGMSSA-N 0 0 334.416 3.479 10 5 EGBERN COc1cc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000597631199 460013039 /nfs/dbraw/zinc/01/30/39/460013039.db2.gz JDXCMKOXNZHHSY-UHFFFAOYSA-N 0 0 347.371 3.460 10 5 EGBERN C[C@H](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)n1cccc1 ZINC000609853637 460028825 /nfs/dbraw/zinc/02/88/25/460028825.db2.gz FAGRSDSAIJCMIF-GFCCVEGCSA-N 0 0 345.355 3.147 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000598780122 460032376 /nfs/dbraw/zinc/03/23/76/460032376.db2.gz NTYNDVOCKNGHGQ-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000609981974 460043538 /nfs/dbraw/zinc/04/35/38/460043538.db2.gz VSAAAYSQUHGKAC-CQSZACIVSA-N 0 0 342.395 3.374 10 5 EGBERN CO[C@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)C1CCCCC1 ZINC000598821106 460050524 /nfs/dbraw/zinc/05/05/24/460050524.db2.gz KGGBNRPQVADHLQ-KRWDZBQOSA-N 0 0 332.400 3.469 10 5 EGBERN COc1ccc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000618583179 460073462 /nfs/dbraw/zinc/07/34/62/460073462.db2.gz BCJIXZNSQOXROW-UHFFFAOYSA-N 0 0 342.355 3.125 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000598868751 460075788 /nfs/dbraw/zinc/07/57/88/460075788.db2.gz KJNDXWTYLFLUHK-LLVKDONJSA-N 0 0 338.791 3.340 10 5 EGBERN CCCc1nccnc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598875131 460079951 /nfs/dbraw/zinc/07/99/51/460079951.db2.gz IBAAGHYTTJOFEW-LLVKDONJSA-N 0 0 346.412 3.457 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C(C)(F)F)cc1OC ZINC000594062042 460082528 /nfs/dbraw/zinc/08/25/28/460082528.db2.gz CVLWDVUXEDMREW-UHFFFAOYSA-N 0 0 346.330 3.166 10 5 EGBERN CSc1ccc(C(=O)Nc2cncc(OC(C)C)n2)cc1[N+](=O)[O-] ZINC000594067392 460084388 /nfs/dbraw/zinc/08/43/88/460084388.db2.gz LGWNKFHXQVDBAF-UHFFFAOYSA-N 0 0 348.384 3.146 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594093768 460098103 /nfs/dbraw/zinc/09/81/03/460098103.db2.gz GAHGTTPQRWRAEY-HZPDHXFCSA-N 0 0 333.388 3.372 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2cc(C)ccc2F)c1 ZINC000589515167 460098839 /nfs/dbraw/zinc/09/88/39/460098839.db2.gz OLSJATKMZJMDOX-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000597919533 460110546 /nfs/dbraw/zinc/11/05/46/460110546.db2.gz MTOLYSYGWQRLKX-CYBMUJFWSA-N 0 0 330.359 3.332 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597922125 460112318 /nfs/dbraw/zinc/11/23/18/460112318.db2.gz ZAUUMSLKGNSKDF-CYBMUJFWSA-N 0 0 340.807 3.112 10 5 EGBERN O=C(NCCc1ccc(C2CCCCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597923922 460113834 /nfs/dbraw/zinc/11/38/34/460113834.db2.gz MNMOVDACXWNLOY-UHFFFAOYSA-N 0 0 342.399 3.338 10 5 EGBERN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597943516 460122037 /nfs/dbraw/zinc/12/20/37/460122037.db2.gz BVKAZNZEHNZPBE-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002966 460124661 /nfs/dbraw/zinc/12/46/61/460124661.db2.gz GAXKTPZNNGKJMZ-UMPJEAMMSA-N 0 0 349.431 3.029 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597952413 460124963 /nfs/dbraw/zinc/12/49/63/460124963.db2.gz RYGGOZMJDASSAU-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN C[C@H]1C[C@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680610 460126521 /nfs/dbraw/zinc/12/65/21/460126521.db2.gz AVAPTEZNCNPEOP-STQMWFEESA-N 0 0 344.415 3.306 10 5 EGBERN O=C(NCCC1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599016177 460126869 /nfs/dbraw/zinc/12/68/69/460126869.db2.gz MIWBBTMCXAPYSZ-UHFFFAOYSA-N 0 0 346.362 3.230 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CC(C4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000589725572 460131555 /nfs/dbraw/zinc/13/15/55/460131555.db2.gz RDPDUNWDVFQQEC-UHFFFAOYSA-N 0 0 343.427 3.313 10 5 EGBERN Cc1ccncc1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597978875 460134604 /nfs/dbraw/zinc/13/46/04/460134604.db2.gz USKQGZISJLAKIM-UHFFFAOYSA-N 0 0 345.374 3.074 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594166581 460136051 /nfs/dbraw/zinc/13/60/51/460136051.db2.gz WVUTXAXAPSBOTB-OLZOCXBDSA-N 0 0 346.305 3.133 10 5 EGBERN CCOc1cc(NC(=O)N2CC(C3CC3)C2)c([N+](=O)[O-])cc1OCC ZINC000589754399 460136381 /nfs/dbraw/zinc/13/63/81/460136381.db2.gz WOMJJRGIRKZFJD-UHFFFAOYSA-N 0 0 349.387 3.266 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594175633 460137350 /nfs/dbraw/zinc/13/73/50/460137350.db2.gz MDLZQHBJFBZNNI-CABCVRRESA-N 0 0 340.807 3.255 10 5 EGBERN O=C(NC1CC1)c1ccc(NCc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000589797593 460141186 /nfs/dbraw/zinc/14/11/86/460141186.db2.gz XKMWVFRPYPOAGN-UHFFFAOYSA-N 0 0 335.747 3.346 10 5 EGBERN CSc1cccc(C(=O)N2CC3(C2)CC(F)(F)C3)c1[N+](=O)[O-] ZINC000614446656 460142945 /nfs/dbraw/zinc/14/29/45/460142945.db2.gz PSINIDVHPIKPOX-UHFFFAOYSA-N 0 0 328.340 3.188 10 5 EGBERN CC(C)c1nnc(CNc2ccc3cnccc3c2[N+](=O)[O-])n1C ZINC000599064022 460147263 /nfs/dbraw/zinc/14/72/63/460147263.db2.gz AONXIVKJXKKZNX-UHFFFAOYSA-N 0 0 326.360 3.007 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000610430556 460149674 /nfs/dbraw/zinc/14/96/74/460149674.db2.gz XLAOXYTXIBWKHO-GFCCVEGCSA-N 0 0 343.383 3.228 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599070845 460151241 /nfs/dbraw/zinc/15/12/41/460151241.db2.gz KLHVTQRUDCIWAO-YPMHNXCESA-N 0 0 329.356 3.287 10 5 EGBERN CCCC(=O)NC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589859524 460152747 /nfs/dbraw/zinc/15/27/47/460152747.db2.gz WVWUPEYPFDTRGK-UHFFFAOYSA-N 0 0 342.399 3.028 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000589869660 460153757 /nfs/dbraw/zinc/15/37/57/460153757.db2.gz BGFCCYLRNOGJOP-UHFFFAOYSA-N 0 0 347.321 3.124 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC([C@H]2CCOC2)CC1 ZINC000589865112 460154249 /nfs/dbraw/zinc/15/42/49/460154249.db2.gz NQAHFNCLSVCOJA-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598053708 460155271 /nfs/dbraw/zinc/15/52/71/460155271.db2.gz IDEZOWZLYLVDHO-GOEBONIOSA-N 0 0 346.427 3.334 10 5 EGBERN CC(C)[C@@]1(CO)CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086328 460156530 /nfs/dbraw/zinc/15/65/30/460156530.db2.gz JRJSYWQTHZBGIK-SFHVURJKSA-N 0 0 329.400 3.378 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OCC)C1 ZINC000598060635 460157404 /nfs/dbraw/zinc/15/74/04/460157404.db2.gz UMOJRGONLNNCAL-AULYBMBSSA-N 0 0 338.429 3.394 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3cc(C)ccn3)C2)c1 ZINC000599100283 460162183 /nfs/dbraw/zinc/16/21/83/460162183.db2.gz LRUBUTYZUZAICX-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN COc1cc(NC[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599115797 460164531 /nfs/dbraw/zinc/16/45/31/460164531.db2.gz DLUIHDIRZQOGTL-LBPRGKRZSA-N 0 0 330.266 3.015 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(c1ccsc1[N+](=O)[O-])CC2 ZINC000599132918 460170282 /nfs/dbraw/zinc/17/02/82/460170282.db2.gz LDSZKBUYXHBJJQ-UHFFFAOYSA-N 0 0 336.344 3.145 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594280109 460179535 /nfs/dbraw/zinc/17/95/35/460179535.db2.gz LNIUIYFEWRSTNP-RDJZCZTQSA-N 0 0 349.431 3.126 10 5 EGBERN CCOc1cc(NC[C@H]2c3ccccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000599164409 460183476 /nfs/dbraw/zinc/18/34/76/460183476.db2.gz MVDXCPORQUEUOZ-INIZCTEOSA-N 0 0 341.367 3.232 10 5 EGBERN CCc1nn(C)c(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1[N+](=O)[O-] ZINC000599166800 460183908 /nfs/dbraw/zinc/18/39/08/460183908.db2.gz GISHZLOPZATLSN-ZLKJLUDKSA-N 0 0 332.791 3.294 10 5 EGBERN Nc1ccc(N2CCc3cc(C(F)(F)F)ccc3C2)nc1[N+](=O)[O-] ZINC000599169179 460185739 /nfs/dbraw/zinc/18/57/39/460185739.db2.gz RIDJMMOMLCSRFF-UHFFFAOYSA-N 0 0 338.289 3.154 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598140877 460186734 /nfs/dbraw/zinc/18/67/34/460186734.db2.gz YBUHPORXUXGYJP-INIZCTEOSA-N 0 0 342.351 3.182 10 5 EGBERN Cc1cc(N2CC[C@@H](CO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000599190031 460194069 /nfs/dbraw/zinc/19/40/69/460194069.db2.gz OSVDAVUCNZALHP-GHMZBOCLSA-N 0 0 343.221 3.263 10 5 EGBERN COc1cc(N2CC[C@@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000599191218 460194559 /nfs/dbraw/zinc/19/45/59/460194559.db2.gz JJCWCENSUWUAJJ-GFCCVEGCSA-N 0 0 332.331 3.442 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000599199528 460197331 /nfs/dbraw/zinc/19/73/31/460197331.db2.gz IALTUGYKOQXNCY-ZZKXABKFSA-N 0 0 328.372 3.426 10 5 EGBERN CC(C)(C)Oc1cc(N[C@H]2CCN(C3CCC3)C2=O)ccc1[N+](=O)[O-] ZINC000599204953 460198354 /nfs/dbraw/zinc/19/83/54/460198354.db2.gz ARVBPMUZDDRPTQ-AWEZNQCLSA-N 0 0 347.415 3.337 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1F ZINC000610624447 460200095 /nfs/dbraw/zinc/20/00/95/460200095.db2.gz UDBJCLKMZPJZKG-SNVBAGLBSA-N 0 0 346.314 3.262 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](OC2CCC2)C1 ZINC000594388525 460202338 /nfs/dbraw/zinc/20/23/38/460202338.db2.gz LNUNSAHUAHJPET-AWEZNQCLSA-N 0 0 343.383 3.250 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)O1 ZINC000598210359 460205153 /nfs/dbraw/zinc/20/51/53/460205153.db2.gz BDZSAQLFQZVMAW-GXFFZTMASA-N 0 0 334.397 3.497 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594399732 460205916 /nfs/dbraw/zinc/20/59/16/460205916.db2.gz BQIIEDRVQUDSQE-NSHDSACASA-N 0 0 333.388 3.257 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CC1(F)F ZINC000598219586 460209413 /nfs/dbraw/zinc/20/94/13/460209413.db2.gz SDHMZKNDNOLVKK-ISVAXAHUSA-N 0 0 348.733 3.177 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000594417075 460212335 /nfs/dbraw/zinc/21/23/35/460212335.db2.gz AKORWKNEWBGEAO-VIFPVBQESA-N 0 0 344.362 3.385 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598228208 460214712 /nfs/dbraw/zinc/21/47/12/460214712.db2.gz PTDOQDZRQGQSQL-VXGBXAGGSA-N 0 0 326.343 3.436 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2ccc3c(c2)C=CCCC3)c1[N+](=O)[O-] ZINC000598233572 460217188 /nfs/dbraw/zinc/21/71/88/460217188.db2.gz QCLYZUQPKKBUDV-UHFFFAOYSA-N 0 0 326.356 3.482 10 5 EGBERN CC(C)(CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000594448212 460224189 /nfs/dbraw/zinc/22/41/89/460224189.db2.gz AXAIYKYROFSRBG-UHFFFAOYSA-N 0 0 329.194 3.345 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC(CC(F)(F)F)C1 ZINC000610745023 460229815 /nfs/dbraw/zinc/22/98/15/460229815.db2.gz QNAACUCEZFMZIC-UHFFFAOYSA-N 0 0 328.246 3.365 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(CC(F)(F)F)C2)c1 ZINC000610744948 460230304 /nfs/dbraw/zinc/23/03/04/460230304.db2.gz LWALBKOFLZFHDV-UHFFFAOYSA-N 0 0 334.319 3.341 10 5 EGBERN COc1ccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000610771414 460234565 /nfs/dbraw/zinc/23/45/65/460234565.db2.gz BDHGFHFMPFHNHU-UHFFFAOYSA-N 0 0 329.356 3.301 10 5 EGBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599445696 460254590 /nfs/dbraw/zinc/25/45/90/460254590.db2.gz NWQZQXYVWZATSE-UHFFFAOYSA-N 0 0 342.389 3.006 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000611084852 460287403 /nfs/dbraw/zinc/28/74/03/460287403.db2.gz OJFXNXRENAEBMA-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN COC(=O)[C@@](C)(NCCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599652894 460298919 /nfs/dbraw/zinc/29/89/19/460298919.db2.gz NVTYSPNAMUIRJH-AWEZNQCLSA-N 0 0 348.321 3.305 10 5 EGBERN CC(C)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F ZINC000619312877 460325077 /nfs/dbraw/zinc/32/50/77/460325077.db2.gz HIUOZWSENZKMNP-UHFFFAOYSA-N 0 0 339.245 3.361 10 5 EGBERN Cc1ccccc1C[C@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599743421 460325291 /nfs/dbraw/zinc/32/52/91/460325291.db2.gz NZIAAEQLSHBGKN-AWEZNQCLSA-N 0 0 339.395 3.062 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)CO2 ZINC000599780678 460332747 /nfs/dbraw/zinc/33/27/47/460332747.db2.gz RVHUKMKCTJKLSM-CYBMUJFWSA-N 0 0 341.367 3.337 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1(C)C ZINC000599832040 460343661 /nfs/dbraw/zinc/34/36/61/460343661.db2.gz SBIIRDHANFQPMH-GJZGRUSLSA-N 0 0 344.371 3.078 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[C@@H]1C ZINC000599833430 460344682 /nfs/dbraw/zinc/34/46/82/460344682.db2.gz RNIRWZHVLMDKLJ-ZBEGNZNMSA-N 0 0 344.371 3.032 10 5 EGBERN CO[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833924 460344751 /nfs/dbraw/zinc/34/47/51/460344751.db2.gz ZKDGKIIBGOKPTK-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)O1 ZINC000599841384 460346828 /nfs/dbraw/zinc/34/68/28/460346828.db2.gz YTEJBOJZZNDDHN-IJLUTSLNSA-N 0 0 344.371 3.078 10 5 EGBERN CCO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000599917516 460359185 /nfs/dbraw/zinc/35/91/85/460359185.db2.gz RHSYUBRPCWVOFJ-LBPRGKRZSA-N 0 0 345.193 3.357 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600005774 460369764 /nfs/dbraw/zinc/36/97/64/460369764.db2.gz POSMTLFNNQQPEN-UHFFFAOYSA-N 0 0 341.205 3.475 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCc1ccccc1C ZINC000600064052 460375185 /nfs/dbraw/zinc/37/51/85/460375185.db2.gz ZFWNMVXOMLNXKC-ZDUSSCGKSA-N 0 0 343.383 3.489 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@H](F)C1 ZINC000611502042 460379303 /nfs/dbraw/zinc/37/93/03/460379303.db2.gz MGHMBIHFQJCARV-GIPNMCIBSA-N 0 0 343.786 3.255 10 5 EGBERN COc1cc(CN2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502380 460379769 /nfs/dbraw/zinc/37/97/69/460379769.db2.gz RRTBNUZZOSNEDD-MWLCHTKSSA-N 0 0 348.321 3.385 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1F ZINC000611507219 460381391 /nfs/dbraw/zinc/38/13/91/460381391.db2.gz YZUSKGZVPLSUEW-QPUJVOFHSA-N 0 0 334.269 3.434 10 5 EGBERN CCOC(=O)c1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000600123069 460391868 /nfs/dbraw/zinc/39/18/68/460391868.db2.gz ITXSUHRZNHBALY-GFCCVEGCSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccn1C ZINC000619613710 460398383 /nfs/dbraw/zinc/39/83/83/460398383.db2.gz JBGJSTXJHYMNQH-MRXNPFEDSA-N 0 0 331.397 3.130 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000611617448 460414557 /nfs/dbraw/zinc/41/45/57/460414557.db2.gz VGIVDGLQWJFVGJ-WFASDCNBSA-N 0 0 349.337 3.197 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)CC(C)C)CC2)n1 ZINC000611616560 460415082 /nfs/dbraw/zinc/41/50/82/460415082.db2.gz AECIHYLAKYQKCM-UHFFFAOYSA-N 0 0 334.420 3.056 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1 ZINC000611617422 460415275 /nfs/dbraw/zinc/41/52/75/460415275.db2.gz QDXNWERMIUUQJQ-HUUCEWRRSA-N 0 0 331.347 3.058 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3nncn3C(C)C)CC2)n1 ZINC000611617476 460415288 /nfs/dbraw/zinc/41/52/88/460415288.db2.gz ZETCUBNGHGKXDQ-UHFFFAOYSA-N 0 0 344.419 3.163 10 5 EGBERN O=C(N[C@H]1CCC(F)(F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618323 460416483 /nfs/dbraw/zinc/41/64/83/460416483.db2.gz SEVNTCHTGMASFD-QMMMGPOBSA-N 0 0 336.241 3.114 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000600178123 460422499 /nfs/dbraw/zinc/42/24/99/460422499.db2.gz RGSYQIMBYJVWLR-INIZCTEOSA-N 0 0 340.379 3.083 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(C2CCOCC2)C1 ZINC000619728817 460423989 /nfs/dbraw/zinc/42/39/89/460423989.db2.gz LUBNNKQIKJJSOF-UHFFFAOYSA-N 0 0 333.388 3.102 10 5 EGBERN CN(Cc1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000619735403 460426331 /nfs/dbraw/zinc/42/63/31/460426331.db2.gz WEXHCNTUEBPYSB-UHFFFAOYSA-N 0 0 329.385 3.088 10 5 EGBERN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000600185988 460427514 /nfs/dbraw/zinc/42/75/14/460427514.db2.gz WYRRPRBBZXJHBV-UWVGGRQHSA-N 0 0 337.326 3.439 10 5 EGBERN CC(C)(C)c1ccc(Cl)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000619760825 460434584 /nfs/dbraw/zinc/43/45/84/460434584.db2.gz ABISLDNEBNHCRH-UHFFFAOYSA-N 0 0 336.779 3.381 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000619779407 460442002 /nfs/dbraw/zinc/44/20/02/460442002.db2.gz PULMEIXCSULNHN-KRWDZBQOSA-N 0 0 346.362 3.152 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000604559840 460447561 /nfs/dbraw/zinc/44/75/61/460447561.db2.gz CBRCYCKMBFQSHH-QGZVFWFLSA-N 0 0 325.368 3.448 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2cccc(N3CCOCC3)c2)c(F)c1 ZINC000619844401 460455259 /nfs/dbraw/zinc/45/52/59/460455259.db2.gz ISMYOQFSBWNVOK-UHFFFAOYSA-N 0 0 331.347 3.183 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000600368531 460485903 /nfs/dbraw/zinc/48/59/03/460485903.db2.gz TYJKJYLCPWYTDF-GFCCVEGCSA-N 0 0 346.408 3.370 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000616158080 460486756 /nfs/dbraw/zinc/48/67/56/460486756.db2.gz LBIHAIVGHBJTHQ-UHFFFAOYSA-N 0 0 327.340 3.047 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000600422845 460493000 /nfs/dbraw/zinc/49/30/00/460493000.db2.gz ONQDWLMUXJZYHH-HNNXBMFYSA-N 0 0 348.399 3.003 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000600478785 460503445 /nfs/dbraw/zinc/50/34/45/460503445.db2.gz RIHMUJUTTYKXNI-FHLIZLRMSA-N 0 0 342.782 3.245 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)C1(C)CCCC1 ZINC000600486412 460504647 /nfs/dbraw/zinc/50/46/47/460504647.db2.gz LYXCJWQSEKDLKZ-OAHLLOKOSA-N 0 0 346.427 3.429 10 5 EGBERN COc1cc(CSc2ncc3c(n2)CCCC3=O)ccc1[N+](=O)[O-] ZINC000600564706 460525629 /nfs/dbraw/zinc/52/56/29/460525629.db2.gz BUIUCMIKCHIVRG-UHFFFAOYSA-N 0 0 345.380 3.205 10 5 EGBERN CCn1nc(C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000600603642 460542250 /nfs/dbraw/zinc/54/22/50/460542250.db2.gz NVKXVJPFYUDAMS-NSHDSACASA-N 0 0 334.401 3.239 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCCC1(F)F ZINC000601171602 460740081 /nfs/dbraw/zinc/74/00/81/460740081.db2.gz OZVUMUKXCKFIPS-ZCFIWIBFSA-N 0 0 328.241 3.194 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)C1(F)F ZINC000601200921 460748298 /nfs/dbraw/zinc/74/82/98/460748298.db2.gz IWXOVLAWQZMMKY-KNVOCYPGSA-N 0 0 342.268 3.075 10 5 EGBERN COC(=O)C(C)(C)CSc1ncc(Br)cc1[N+](=O)[O-] ZINC000601212795 460752166 /nfs/dbraw/zinc/75/21/66/460752166.db2.gz NYBPZWDKERNQDN-UHFFFAOYSA-N 0 0 349.206 3.044 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601212309 460752243 /nfs/dbraw/zinc/75/22/43/460752243.db2.gz YSZVTGXKGWGEIF-ZWKOTPCHSA-N 0 0 346.427 3.096 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H](c3cccnc3)C2)nc2sccn21 ZINC000601217569 460755057 /nfs/dbraw/zinc/75/50/57/460755057.db2.gz UECKZEKJDWNGEG-LBPRGKRZSA-N 0 0 329.385 3.083 10 5 EGBERN CC(=O)c1cc(NCc2cccc3c2CCOC3)ccc1[N+](=O)[O-] ZINC000601239194 460762797 /nfs/dbraw/zinc/76/27/97/460762797.db2.gz GYKFEGONUIOURL-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601254424 460766552 /nfs/dbraw/zinc/76/65/52/460766552.db2.gz BJFQGGVTUTUXCR-LLVKDONJSA-N 0 0 346.774 3.495 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)c2ccc(C)cc2C)c([N+](=O)[O-])s1 ZINC000601312051 460785041 /nfs/dbraw/zinc/78/50/41/460785041.db2.gz DGRKKKAIJUOYKI-UHFFFAOYSA-N 0 0 340.426 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cn3c(n2)C[C@@H](C)CC3)n1 ZINC000601363613 460796242 /nfs/dbraw/zinc/79/62/42/460796242.db2.gz SWYHWPGUSDRZLC-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN CC(C)C1(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000601374807 460798554 /nfs/dbraw/zinc/79/85/54/460798554.db2.gz LAIKELRDXCDQBL-UHFFFAOYSA-N 0 0 338.429 3.078 10 5 EGBERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601414181 460806663 /nfs/dbraw/zinc/80/66/63/460806663.db2.gz RVQHXKJLWSFYPP-WMLDXEAASA-N 0 0 346.427 3.026 10 5 EGBERN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000601413719 460807110 /nfs/dbraw/zinc/80/71/10/460807110.db2.gz HHWHCCFDSKSOPL-LLVKDONJSA-N 0 0 333.775 3.106 10 5 EGBERN COc1ccc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1[N+](=O)[O-] ZINC000601425387 460809592 /nfs/dbraw/zinc/80/95/92/460809592.db2.gz XDRPYXQUXBYROY-FUNVUKJBSA-N 0 0 346.383 3.327 10 5 EGBERN COC[C@H]1CCCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453673 460814510 /nfs/dbraw/zinc/81/45/10/460814510.db2.gz ORUJSTCNLVGENN-HNNXBMFYSA-N 0 0 346.427 3.292 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOc2ncccc2C1 ZINC000613073212 460819752 /nfs/dbraw/zinc/81/97/52/460819752.db2.gz KEJSSHHRYLRTLU-UHFFFAOYSA-N 0 0 339.273 3.408 10 5 EGBERN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](C2CC2)O1 ZINC000601539607 460827148 /nfs/dbraw/zinc/82/71/48/460827148.db2.gz CMSOTLMHLXHTDP-GUYCJALGSA-N 0 0 344.411 3.042 10 5 EGBERN C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2nccn21 ZINC000601616656 460848298 /nfs/dbraw/zinc/84/82/98/460848298.db2.gz FNTFTLYWWOMOJT-WFASDCNBSA-N 0 0 340.383 3.035 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000601659256 460860116 /nfs/dbraw/zinc/86/01/16/460860116.db2.gz NOHUKBCYMAVOAK-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601659055 460860211 /nfs/dbraw/zinc/86/02/11/460860211.db2.gz QSONIULLNVHUTL-IAGOWNOFSA-N 0 0 347.415 3.084 10 5 EGBERN CNc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000601701667 460876239 /nfs/dbraw/zinc/87/62/39/460876239.db2.gz WPNQWFSNJRXFNR-HNNXBMFYSA-N 0 0 329.356 3.453 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC)cn1 ZINC000613234428 460876723 /nfs/dbraw/zinc/87/67/23/460876723.db2.gz QRHORDYHQIAVTL-ZDUSSCGKSA-N 0 0 329.356 3.206 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC12CC2 ZINC000601705618 460877667 /nfs/dbraw/zinc/87/76/67/460877667.db2.gz QCPXBTSBSWOIIF-HZMBPMFUSA-N 0 0 338.791 3.464 10 5 EGBERN C[C@](CO)(NC(=O)C1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601781423 460896173 /nfs/dbraw/zinc/89/61/73/460896173.db2.gz WCXWRAMNOMIJJA-GOSISDBHSA-N 0 0 334.416 3.135 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601885962 460936662 /nfs/dbraw/zinc/93/66/62/460936662.db2.gz NTFDBZOETLPALF-SJORKVTESA-N 0 0 348.399 3.071 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000617697353 460958505 /nfs/dbraw/zinc/95/85/05/460958505.db2.gz HIYXDLIHCQGGAQ-LLVKDONJSA-N 0 0 342.351 3.432 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000191324946 534054960 /nfs/dbraw/zinc/05/49/60/534054960.db2.gz QOPNGFNKZZEVMC-RDTXWAMCSA-N 0 0 347.415 3.371 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000187086183 534568928 /nfs/dbraw/zinc/56/89/28/534568928.db2.gz RVOBXOJWRVVMKF-AWEZNQCLSA-N 0 0 335.360 3.476 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C)cc1OC ZINC000170982044 536506999 /nfs/dbraw/zinc/50/69/99/536506999.db2.gz QRZUGMXZUSRIKL-GFCCVEGCSA-N 0 0 331.372 3.359 10 5 EGBERN CCCN(C1CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183646833 527868722 /nfs/dbraw/zinc/86/87/22/527868722.db2.gz CLOFFNHWFDHLID-UHFFFAOYSA-N 0 0 332.809 3.120 10 5 EGBERN CC(C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000348060780 535077061 /nfs/dbraw/zinc/07/70/61/535077061.db2.gz RVGLROQSTVLCGC-AWEZNQCLSA-N 0 0 347.337 3.490 10 5 EGBERN COc1ccc(-c2nc(CSc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000159669164 536520143 /nfs/dbraw/zinc/52/01/43/536520143.db2.gz TVIMVWPOIZSPJL-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN COc1cc(C(C)=O)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351833855 536547664 /nfs/dbraw/zinc/54/76/64/536547664.db2.gz FYQDEKKJTFTIBK-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN CO[C@@H]1CCC[C@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1 ZINC000361571481 536633460 /nfs/dbraw/zinc/63/34/60/536633460.db2.gz LQLRSLGZNCDSGF-HEHGZKQESA-N 0 0 332.400 3.468 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000067512659 546567357 /nfs/dbraw/zinc/56/73/57/546567357.db2.gz ZTCABXDWRKQURB-HOTGVXAUSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174521690 547004664 /nfs/dbraw/zinc/00/46/64/547004664.db2.gz GWGKPZOYIUZYRG-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3c(F)cccc3Cl)C2)cn1 ZINC000592004847 548103669 /nfs/dbraw/zinc/10/36/69/548103669.db2.gz BHEMZIUYSBFQDG-CYBMUJFWSA-N 0 0 337.738 3.360 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1oc2ccccc2c1CO ZINC000726016560 574525572 /nfs/dbraw/zinc/52/55/72/574525572.db2.gz YEIVOCGXAKWBNL-UHFFFAOYSA-N 0 0 333.321 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OCc1cn(-c2ccccc2)nn1 ZINC000726741609 574568761 /nfs/dbraw/zinc/56/87/61/574568761.db2.gz BBHGPOANMIYUEZ-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C)c1ccccc1 ZINC000728201319 574729126 /nfs/dbraw/zinc/72/91/26/574729126.db2.gz FERBPODPOWYGFY-ZDUSSCGKSA-N 0 0 325.368 3.009 10 5 EGBERN COc1ccccc1CCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000729182684 574821531 /nfs/dbraw/zinc/82/15/31/574821531.db2.gz AMQQWPGWTNOFST-UHFFFAOYSA-N 0 0 328.368 3.485 10 5 EGBERN C[C@H](OC(=O)Cn1ncc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000730474113 574991511 /nfs/dbraw/zinc/99/15/11/574991511.db2.gz MGSGJIKJORIGNJ-LBPRGKRZSA-N 0 0 325.324 3.249 10 5 EGBERN CCOC(=O)c1cccc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000731458152 575074474 /nfs/dbraw/zinc/07/44/74/575074474.db2.gz MOMBIXYYNPHWNI-UHFFFAOYSA-N 0 0 333.271 3.130 10 5 EGBERN CC[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000731720223 575201731 /nfs/dbraw/zinc/20/17/31/575201731.db2.gz DFKWEDHMUMMZFJ-AWEZNQCLSA-N 0 0 346.339 3.119 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)OCc2ncc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000733451174 575347662 /nfs/dbraw/zinc/34/76/62/575347662.db2.gz HAQLTNROBGMISX-UHFFFAOYSA-N 0 0 349.299 3.280 10 5 EGBERN CCc1ccc(OS(=O)(=O)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000734502188 575502954 /nfs/dbraw/zinc/50/29/54/575502954.db2.gz HSUQCYZXVMHKNW-UHFFFAOYSA-N 0 0 339.344 3.372 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1cccnc1 ZINC000735891721 575732419 /nfs/dbraw/zinc/73/24/19/575732419.db2.gz IDRYJWIJDFCPJE-LBPRGKRZSA-N 0 0 348.380 3.093 10 5 EGBERN CCCNC(=O)c1cccc(C(=O)OCc2csc([N+](=O)[O-])c2)c1 ZINC000741371257 576681182 /nfs/dbraw/zinc/68/11/82/576681182.db2.gz UZYHQDVFCZRRLK-UHFFFAOYSA-N 0 0 348.380 3.153 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000743460383 576809691 /nfs/dbraw/zinc/80/96/91/576809691.db2.gz WROWVURGJUTQMN-ALCCZGGFSA-N 0 0 347.396 3.466 10 5 EGBERN CC[C@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000743544908 576811569 /nfs/dbraw/zinc/81/15/69/576811569.db2.gz LGWKBNJZYLUVSN-ZDUSSCGKSA-N 0 0 336.779 3.021 10 5 EGBERN O=C(/C=C/C1CC1)OCc1ccc([N+](=O)[O-])cc1Br ZINC000744174994 576822391 /nfs/dbraw/zinc/82/23/91/576822391.db2.gz 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ZINC000154641185 1294064705 /nfs/dbraw/zinc/06/47/05/1294064705.db2.gz KRSLPEPWAPVALF-UHFFFAOYSA-N 0 0 341.772 3.465 10 5 EGBERN CCO[C@@H]1COCC[C@H]1CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000869959974 1295563037 /nfs/dbraw/zinc/56/30/37/1295563037.db2.gz IXTSMRMHIDRPPW-HEHGZKQESA-N 0 0 337.372 3.031 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccn(C2CC2)c1=O ZINC000869992416 1295584785 /nfs/dbraw/zinc/58/47/85/1295584785.db2.gz LJJAURNTCUDGCQ-UHFFFAOYSA-N 0 0 348.742 3.102 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000870052790 1295618964 /nfs/dbraw/zinc/61/89/64/1295618964.db2.gz CHCRFJGYPWNXOP-YUTCNCBUSA-N 0 0 335.356 3.178 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870731397 1296049193 /nfs/dbraw/zinc/04/91/93/1296049193.db2.gz MQEWZIXNIQTNIR-XJKSGUPXSA-N 0 0 332.400 3.042 10 5 EGBERN CC(C)(C(=O)OCc1ccnn1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000870743695 1296058101 /nfs/dbraw/zinc/05/81/01/1296058101.db2.gz ZASTXCITLHTMPQ-UHFFFAOYSA-N 0 0 339.298 3.207 10 5 EGBERN Cc1c(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)ccn1C(C)C ZINC000870827444 1296104696 /nfs/dbraw/zinc/10/46/96/1296104696.db2.gz AYMXEKCOBSPKSI-UHFFFAOYSA-N 0 0 332.360 3.043 10 5 EGBERN Cc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c2c1CCC2 ZINC000870828590 1296105932 /nfs/dbraw/zinc/10/59/32/1296105932.db2.gz SIAAMWQBMVICCM-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN C[C@@]1(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000870828267 1296106252 /nfs/dbraw/zinc/10/62/52/1296106252.db2.gz NMBPVBRUXHARNV-HSLLBKHCSA-N 0 0 348.186 3.012 10 5 EGBERN C/C(=C\C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000870830382 1296107896 /nfs/dbraw/zinc/10/78/96/1296107896.db2.gz AJYIQACJQKTDCH-BJMVGYQFSA-N 0 0 333.369 3.203 10 5 EGBERN O=C(/C=C/CCc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831120 1296107995 /nfs/dbraw/zinc/10/79/95/1296107995.db2.gz OZLMKNIZQNHOGX-WEVVVXLNSA-N 0 0 341.367 3.227 10 5 EGBERN CCOC(=O)[C@H](CC)Oc1cc([N+](=O)[O-])ccc1Br ZINC000230800242 1296166285 /nfs/dbraw/zinc/16/62/85/1296166285.db2.gz AKIUQOCCTPDJHD-JTQLQIEISA-N 0 0 332.150 3.078 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000871172082 1296258666 /nfs/dbraw/zinc/25/86/66/1296258666.db2.gz PCXHQQADXSPPKM-ARFHVFGLSA-N 0 0 332.400 3.162 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NOCCCC(F)(F)F)c1F ZINC000871216002 1296278546 /nfs/dbraw/zinc/27/85/46/1296278546.db2.gz LHSUUISPFFJOAG-UHFFFAOYSA-N 0 0 342.220 3.185 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000871330727 1296356009 /nfs/dbraw/zinc/35/60/09/1296356009.db2.gz HKVHHUTVTNCWTJ-CQSZACIVSA-N 0 0 347.415 3.049 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871339260 1296360682 /nfs/dbraw/zinc/36/06/82/1296360682.db2.gz ZTEMUNQIQWNMSD-ZDUSSCGKSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871372896 1296376746 /nfs/dbraw/zinc/37/67/46/1296376746.db2.gz XYILGBFDTSYNMZ-QGZVFWFLSA-N 0 0 329.331 3.091 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@](C)(C(F)(F)F)C1 ZINC000871436295 1296396004 /nfs/dbraw/zinc/39/60/04/1296396004.db2.gz WVQZNJRKWKOUDR-AWEZNQCLSA-N 0 0 346.305 3.005 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000871575146 1296436847 /nfs/dbraw/zinc/43/68/47/1296436847.db2.gz PUVFYXNCSMAPBD-NSHDSACASA-N 0 0 338.791 3.185 10 5 EGBERN Cc1nnc(COc2cc(Cl)c([N+](=O)[O-])cc2F)n1C1CC1 ZINC000871694213 1296483499 /nfs/dbraw/zinc/48/34/99/1296483499.db2.gz HGJHEYVLUHXMNW-UHFFFAOYSA-N 0 0 326.715 3.201 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872753384 1297092626 /nfs/dbraw/zinc/09/26/26/1297092626.db2.gz WGNGATRXLXKVDB-LKFCYVNXSA-N 0 0 346.305 3.344 10 5 EGBERN CC1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312232942 1297114398 /nfs/dbraw/zinc/11/43/98/1297114398.db2.gz LSAASYNDAQIRJC-SNVBAGLBSA-N 0 0 342.193 3.061 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000873571023 1297594118 /nfs/dbraw/zinc/59/41/18/1297594118.db2.gz QBNBNDKCVUHDEK-WFASDCNBSA-N 0 0 337.372 3.354 10 5 EGBERN CN(C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000875079882 1298222232 /nfs/dbraw/zinc/22/22/32/1298222232.db2.gz ZSPJSQPAUMYOJH-MSOLQXFVSA-N 0 0 340.379 3.348 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000875250007 1298274657 /nfs/dbraw/zinc/27/46/57/1298274657.db2.gz COWWKRVZXLCSOR-PBHICJAKSA-N 0 0 344.342 3.463 10 5 EGBERN Cn1cc(CNc2ccc(Cl)cc2OC(F)F)c([N+](=O)[O-])n1 ZINC000877366414 1299263567 /nfs/dbraw/zinc/26/35/67/1299263567.db2.gz JBWOFIAHCOMEAL-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN CCCC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000879153353 1300402857 /nfs/dbraw/zinc/40/28/57/1300402857.db2.gz FQFSTKDREJARNR-UHFFFAOYSA-N 0 0 334.372 3.066 10 5 EGBERN CC(=O)c1c(NC2CCN(c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000882308104 1301916104 /nfs/dbraw/zinc/91/61/04/1301916104.db2.gz YUSXPWAMMZTAEM-UHFFFAOYSA-N 0 0 346.412 3.335 10 5 EGBERN CC(=O)c1c(NC[C@H]2CCC3(CCOCC3)CO2)cccc1[N+](=O)[O-] ZINC000882785173 1302104394 /nfs/dbraw/zinc/10/43/94/1302104394.db2.gz AXOOBZDFLKVQDR-CQSZACIVSA-N 0 0 348.399 3.185 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c([N+](=O)[O-])c1 ZINC000884700484 1302957129 /nfs/dbraw/zinc/95/71/29/1302957129.db2.gz RGWXBOVRPULZPO-JPHJHBEYSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cnn(C)c1)C(C)C ZINC000885423459 1303137583 /nfs/dbraw/zinc/13/75/83/1303137583.db2.gz BKRWTXUHWCNDPJ-GQPJMJRUSA-N 0 0 342.399 3.245 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000887089947 1303669921 /nfs/dbraw/zinc/66/99/21/1303669921.db2.gz AUMUYWAWYDGVEU-DBTPVHCXSA-N 0 0 330.384 3.216 10 5 EGBERN CC1(C)CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)OC1 ZINC000887412553 1303790383 /nfs/dbraw/zinc/79/03/83/1303790383.db2.gz RDRCTBUTSLDVHP-IXDOHACOSA-N 0 0 346.427 3.410 10 5 EGBERN Cc1c(CNC(=O)C[C@H]2CCC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000890173835 1304692812 /nfs/dbraw/zinc/69/28/12/1304692812.db2.gz ANRILHWLAAERLW-OAHLLOKOSA-N 0 0 332.400 3.259 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@@H]2CCCC[C@@H]21 ZINC000892218006 1305281916 /nfs/dbraw/zinc/28/19/16/1305281916.db2.gz GVWORJOPYKCJBL-JSGCOSHPSA-N 0 0 346.383 3.161 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCn3c(C)cnc32)c1 ZINC000893518658 1305945313 /nfs/dbraw/zinc/94/53/13/1305945313.db2.gz LLQRRXSNGQXTSR-CYBMUJFWSA-N 0 0 333.369 3.123 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1c2ccccc2CC[C@@H]1F ZINC000893724584 1306050104 /nfs/dbraw/zinc/05/01/04/1306050104.db2.gz PJHSVABKYLOVPO-YOEHRIQHSA-N 0 0 347.346 3.059 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000893855747 1306100226 /nfs/dbraw/zinc/10/02/26/1306100226.db2.gz IDLSVFXZQKRVSR-LSDHHAIUSA-N 0 0 334.416 3.455 10 5 EGBERN C[C@H]1Cn2nccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000893902601 1306122015 /nfs/dbraw/zinc/12/20/15/1306122015.db2.gz BTRAAORJXVVGEM-SNVBAGLBSA-N 0 0 342.380 3.303 10 5 EGBERN COC(=O)c1cnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000893946330 1306140107 /nfs/dbraw/zinc/14/01/07/1306140107.db2.gz WXVWTJVGMZJWEJ-UHFFFAOYSA-N 0 0 347.396 3.003 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@H]1F ZINC000893957375 1306145839 /nfs/dbraw/zinc/14/58/39/1306145839.db2.gz DDRMCCDUDLEJTP-AEFFLSMTSA-N 0 0 328.343 3.279 10 5 EGBERN C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(F)F ZINC000894060049 1306196179 /nfs/dbraw/zinc/19/61/79/1306196179.db2.gz UUWIALRKALBHJF-NSHDSACASA-N 0 0 341.358 3.215 10 5 EGBERN C/C(=C/C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000894270025 1306313492 /nfs/dbraw/zinc/31/34/92/1306313492.db2.gz UZGNPUCNMNPNRK-FLIBITNWSA-N 0 0 327.340 3.180 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000894503397 1308927478 /nfs/dbraw/zinc/92/74/78/1308927478.db2.gz FLRFJZBPOLBJCS-ZDUSSCGKSA-N 0 0 340.807 3.112 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894704749 1309029702 /nfs/dbraw/zinc/02/97/02/1309029702.db2.gz PREDXASICNBULQ-RISCZKNCSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894734684 1309042838 /nfs/dbraw/zinc/04/28/38/1309042838.db2.gz RSJRTWMUELPZRP-BXUZGUMPSA-N 0 0 346.408 3.451 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000895359538 1309299774 /nfs/dbraw/zinc/29/97/74/1309299774.db2.gz HCGHUUBIPRIKRJ-UHFFFAOYSA-N 0 0 339.189 3.420 10 5 EGBERN O=[N+]([O-])c1sc(CN2CC[C@@H]2C(F)F)cc1Br ZINC000895431965 1309334227 /nfs/dbraw/zinc/33/42/27/1309334227.db2.gz SBLIZXBWRDYOLE-SSDOTTSWSA-N 0 0 327.150 3.258 10 5 EGBERN CC(=O)c1cc(NC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000895447491 1309341774 /nfs/dbraw/zinc/34/17/74/1309341774.db2.gz ZOTSOLFQTIWODS-ZWNOBZJWSA-N 0 0 332.278 3.319 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C2CCOCC2)C1 ZINC000896588527 1309925159 /nfs/dbraw/zinc/92/51/59/1309925159.db2.gz CODVNGKCVBYTAR-OAHLLOKOSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000896696440 1309977210 /nfs/dbraw/zinc/97/72/10/1309977210.db2.gz JKBNWQPDRPCBPX-GLRZTSSQSA-N 0 0 340.379 3.302 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)[C@@H]2C1 ZINC000897011495 1310133888 /nfs/dbraw/zinc/13/38/88/1310133888.db2.gz UUSJUTDAEPQKIJ-MSIPSHCFSA-N 0 0 341.367 3.143 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc4cnccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000897020107 1310140030 /nfs/dbraw/zinc/14/00/30/1310140030.db2.gz XRPPJJAQXMCGIV-NCZKRNLISA-N 0 0 341.367 3.143 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898394866 1310708721 /nfs/dbraw/zinc/70/87/21/1310708721.db2.gz PUFWGWBIKWKBGF-CHWSQXEVSA-N 0 0 342.399 3.109 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000917709734 1319865154 /nfs/dbraw/zinc/86/51/54/1319865154.db2.gz IGHGASSAQNSTAB-HZGVNTEJSA-N 0 0 326.658 3.132 10 5 EGBERN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCCCC1 ZINC000857574866 1328551969 /nfs/dbraw/zinc/55/19/69/1328551969.db2.gz DLPZAUKBSMYCLE-AWEZNQCLSA-N 0 0 328.315 3.407 10 5 EGBERN CCOc1cncc(COC(=O)c2c(OCC)cccc2[N+](=O)[O-])c1 ZINC000857666967 1328579618 /nfs/dbraw/zinc/57/96/18/1328579618.db2.gz VFPFCLUKZVQPQJ-UHFFFAOYSA-N 0 0 346.339 3.144 10 5 EGBERN Cc1c(C(=O)NC(C)(C2CC2)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857672813 1328581514 /nfs/dbraw/zinc/58/15/14/1328581514.db2.gz GCBGOAVYVSUGDV-UHFFFAOYSA-N 0 0 333.344 3.120 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC1(Cl)Cl ZINC000857688922 1328584819 /nfs/dbraw/zinc/58/48/19/1328584819.db2.gz RMWQSYFAZOLVKG-ZTYXWKCZSA-N 0 0 329.183 3.308 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cn3c(n2)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000857938968 1328634581 /nfs/dbraw/zinc/63/45/81/1328634581.db2.gz LABZGJPXNHHWOV-WCQYABFASA-N 0 0 342.399 3.173 10 5 EGBERN CC[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000857939613 1328635496 /nfs/dbraw/zinc/63/54/96/1328635496.db2.gz PQPNOWOJKCWXEY-IUODEOHRSA-N 0 0 342.399 3.255 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899467094 1317047280 /nfs/dbraw/zinc/04/72/80/1317047280.db2.gz PPFQWBCVQGAZTB-CYBMUJFWSA-N 0 0 343.383 3.155 10 5 EGBERN CNc1ccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000899492012 1317054673 /nfs/dbraw/zinc/05/46/73/1317054673.db2.gz CBEKRBPHLPNIPM-QGZVFWFLSA-N 0 0 347.415 3.106 10 5 EGBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899530645 1317075274 /nfs/dbraw/zinc/07/52/74/1317075274.db2.gz QVCPWKNCUKYERX-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000858209145 1328711568 /nfs/dbraw/zinc/71/15/68/1328711568.db2.gz DHXJXXCEWFUERV-GFCCVEGCSA-N 0 0 348.712 3.338 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386416 1319021512 /nfs/dbraw/zinc/02/15/12/1319021512.db2.gz UHQHXJDWBPCYBH-ZWNOBZJWSA-N 0 0 344.770 3.209 10 5 EGBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000913746753 1319113704 /nfs/dbraw/zinc/11/37/04/1319113704.db2.gz GWRBQASQPAPQPM-AWEZNQCLSA-N 0 0 348.399 3.229 10 5 EGBERN CC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000915114251 1319424515 /nfs/dbraw/zinc/42/45/15/1319424515.db2.gz OKGJBWMJTSAQDH-INIZCTEOSA-N 0 0 338.367 3.212 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000930315459 1328832351 /nfs/dbraw/zinc/83/23/51/1328832351.db2.gz JSEBXRYXQFKVHF-DZGCQCFKSA-N 0 0 333.388 3.291 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000915678565 1319518818 /nfs/dbraw/zinc/51/88/18/1319518818.db2.gz RZUZQQWLJLGONC-AWEZNQCLSA-N 0 0 337.383 3.369 10 5 EGBERN CSCCCCCCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000858720148 1328839663 /nfs/dbraw/zinc/83/96/63/1328839663.db2.gz CYCVSTJGRIYNIR-UHFFFAOYSA-N 0 0 336.417 3.430 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](c2nccs2)C1 ZINC000916225773 1319620620 /nfs/dbraw/zinc/62/06/20/1319620620.db2.gz LORFNQDZWUSGLW-SECBINFHSA-N 0 0 337.788 3.334 10 5 EGBERN Cc1nccc([C@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000916741187 1319702333 /nfs/dbraw/zinc/70/23/33/1319702333.db2.gz BMROKUGKRWHXQG-ZDUSSCGKSA-N 0 0 330.363 3.212 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000858736943 1328847002 /nfs/dbraw/zinc/84/70/02/1328847002.db2.gz VPCZONVWHKHMAA-JTQLQIEISA-N 0 0 342.298 3.260 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)c2nonc21 ZINC000917085133 1319751661 /nfs/dbraw/zinc/75/16/61/1319751661.db2.gz ZRTFFAXCFLZBAC-ZDUSSCGKSA-N 0 0 342.330 3.482 10 5 EGBERN Cc1nn(C[C@@H]2CC[C@H](C(F)(F)F)O2)c2ccc([N+](=O)[O-])cc12 ZINC000917332869 1319789992 /nfs/dbraw/zinc/78/99/92/1319789992.db2.gz ZXKKBYWJTHBNFT-GXFFZTMASA-N 0 0 329.278 3.363 10 5 EGBERN O=C1CN(/C=C\c2ccccc2)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000917427675 1319808228 /nfs/dbraw/zinc/80/82/28/1319808228.db2.gz FXBNXCVAZFDSDW-SREVYHEPSA-N 0 0 343.364 3.091 10 5 EGBERN O=[N+]([O-])c1cn(C[C@H]2CCC3(CCC3)CO2)nc1-c1ccccn1 ZINC000918049028 1319909873 /nfs/dbraw/zinc/90/98/73/1319909873.db2.gz IZEYQEOYVVLPAL-CYBMUJFWSA-N 0 0 328.372 3.203 10 5 EGBERN COC(=O)Cc1ccc(N2CC(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000858830570 1328870174 /nfs/dbraw/zinc/87/01/74/1328870174.db2.gz LAAFWXVNDHSZND-UHFFFAOYSA-N 0 0 346.408 3.051 10 5 EGBERN CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619071 1328917394 /nfs/dbraw/zinc/91/73/94/1328917394.db2.gz CTEMRZOVRJUDDZ-AWEZNQCLSA-N 0 0 340.383 3.212 10 5 EGBERN COCCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859079840 1328919453 /nfs/dbraw/zinc/91/94/53/1328919453.db2.gz XZETWJZPXSRKKR-UHFFFAOYSA-N 0 0 338.310 3.102 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000930769334 1328965097 /nfs/dbraw/zinc/96/50/97/1328965097.db2.gz OMCWGOCKBFLGCA-MWLCHTKSSA-N 0 0 325.390 3.009 10 5 EGBERN C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc([N+](=O)[O-])c1 ZINC000919504878 1322074991 /nfs/dbraw/zinc/07/49/91/1322074991.db2.gz GJBYHHMWWNUKOL-MRVPVSSYSA-N 0 0 349.274 3.142 10 5 EGBERN C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc([N+](=O)[O-])c1 ZINC000919504880 1322075577 /nfs/dbraw/zinc/07/55/77/1322075577.db2.gz GJBYHHMWWNUKOL-QMMMGPOBSA-N 0 0 349.274 3.142 10 5 EGBERN O=C(CC1CC1)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000920145742 1322143892 /nfs/dbraw/zinc/14/38/92/1322143892.db2.gz AYSMQYNMFMGCLD-UHFFFAOYSA-N 0 0 333.262 3.336 10 5 EGBERN C[NH+](C)[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000920959718 1322239306 /nfs/dbraw/zinc/23/93/06/1322239306.db2.gz HQHSJNCTIMKLKN-VFADXPBXSA-N 0 0 345.355 3.000 10 5 EGBERN C[C@@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCO1 ZINC000921420164 1322311864 /nfs/dbraw/zinc/31/18/64/1322311864.db2.gz VVNGISUJCHGRBM-HNNXBMFYSA-N 0 0 341.795 3.007 10 5 EGBERN COc1ccc(CNCc2c(Cl)n[nH]c2C2CC2)cc1[N+](=O)[O-] ZINC000921610945 1322363373 /nfs/dbraw/zinc/36/33/73/1322363373.db2.gz BFQSMVGOQNWCKK-UHFFFAOYSA-N 0 0 336.779 3.147 10 5 EGBERN CSCC1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000921805364 1322400964 /nfs/dbraw/zinc/40/09/64/1322400964.db2.gz DBIZAXYXSSNKDO-GFCCVEGCSA-N 0 0 337.445 3.440 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922368377 1322511465 /nfs/dbraw/zinc/51/14/65/1322511465.db2.gz WUFFCTMXWGKIHV-ZSBIGDGJSA-N 0 0 341.310 3.198 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000922394833 1322518840 /nfs/dbraw/zinc/51/88/40/1322518840.db2.gz XIXVLYXKOBNQAO-GZMMTYOYSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000922416309 1322524456 /nfs/dbraw/zinc/52/44/56/1322524456.db2.gz UERJTIZIDYJOIF-WMLDXEAASA-N 0 0 346.333 3.418 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CC12CC2 ZINC000922807505 1322623508 /nfs/dbraw/zinc/62/35/08/1322623508.db2.gz BUMRWLMCBDRUQF-JTQLQIEISA-N 0 0 326.146 3.201 10 5 EGBERN C[C@H](COC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(F)(F)F ZINC000923223048 1322714079 /nfs/dbraw/zinc/71/40/79/1322714079.db2.gz VAMGEPURTAPKOU-MRVPVSSYSA-N 0 0 349.261 3.111 10 5 EGBERN CCc1cc(CC(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000923815965 1322815989 /nfs/dbraw/zinc/81/59/89/1322815989.db2.gz VGIWFGFTMJEALR-GFCCVEGCSA-N 0 0 331.372 3.046 10 5 EGBERN Cc1ccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000923912462 1322845132 /nfs/dbraw/zinc/84/51/32/1322845132.db2.gz YTAZYCGTKVCAJX-GOOCMWNKSA-N 0 0 349.456 3.377 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CCc1nc(CCc2ccco2)no1 ZINC000923954501 1322854252 /nfs/dbraw/zinc/85/42/52/1322854252.db2.gz XFJAACLVLJGGID-UHFFFAOYSA-N 0 0 331.303 3.280 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC[C@H](O)c1ccccc1 ZINC000923960719 1322855848 /nfs/dbraw/zinc/85/58/48/1322855848.db2.gz DJTMBVPVIUSCFA-KRWDZBQOSA-N 0 0 347.342 3.333 10 5 EGBERN Cc1ccc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c(C)n1 ZINC000923960531 1322856081 /nfs/dbraw/zinc/85/60/81/1322856081.db2.gz CDWPDZVYAWKDPE-UHFFFAOYSA-N 0 0 332.331 3.422 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@@H]1CCCC1=O ZINC000923968080 1322859641 /nfs/dbraw/zinc/85/96/41/1322859641.db2.gz WDXBHHJLPYMKOI-NSHDSACASA-N 0 0 339.775 3.483 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000923983381 1322864875 /nfs/dbraw/zinc/86/48/75/1322864875.db2.gz PJPLFAXPVGHTSD-IFIJOSMWSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H](c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000924174437 1322923644 /nfs/dbraw/zinc/92/36/44/1322923644.db2.gz UCUQEJHMMIYBAE-YGRLFVJLSA-N 0 0 335.335 3.185 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859733390 1329066307 /nfs/dbraw/zinc/06/63/07/1329066307.db2.gz NUNVCIGSZHMLOT-UONOGXRCSA-N 0 0 335.331 3.286 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1([C@@H]2CCCCO2)CC1 ZINC000931297891 1329088418 /nfs/dbraw/zinc/08/84/18/1329088418.db2.gz RQBQIOJFUXEDCK-LBPRGKRZSA-N 0 0 339.779 3.471 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(CF)cc1)c1cccc([N+](=O)[O-])c1 ZINC000859944989 1329115782 /nfs/dbraw/zinc/11/57/82/1329115782.db2.gz IRQVEKTVRSAFQY-GOSISDBHSA-N 0 0 346.358 3.242 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459451 1329123552 /nfs/dbraw/zinc/12/35/52/1329123552.db2.gz PGYPKABYWCCRPA-GFCCVEGCSA-N 0 0 330.388 3.224 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@]2(CCOC2)C1 ZINC000859999559 1329125200 /nfs/dbraw/zinc/12/52/00/1329125200.db2.gz SJTQAOSYEGUPBZ-SFHVURJKSA-N 0 0 326.352 3.001 10 5 EGBERN CC1(C)C[C@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860069184 1329140448 /nfs/dbraw/zinc/14/04/48/1329140448.db2.gz FTRJPIZBPMLXNI-GFCCVEGCSA-N 0 0 337.372 3.111 10 5 EGBERN C[C@@H](CN(C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098063 1329145857 /nfs/dbraw/zinc/14/58/57/1329145857.db2.gz KUQYAWYRYSHCFA-JTQLQIEISA-N 0 0 329.422 3.001 10 5 EGBERN C[C@H](OC(=O)[C@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000860120474 1329152235 /nfs/dbraw/zinc/15/22/35/1329152235.db2.gz SSVBCWFFHHWQCX-IYYTYJHQSA-N 0 0 328.162 3.373 10 5 EGBERN CC[C@H](C[C@@H](C)CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860167929 1329164790 /nfs/dbraw/zinc/16/47/90/1329164790.db2.gz POHHUXCXNLLDOE-TZMCWYRMSA-N 0 0 330.384 3.275 10 5 EGBERN COc1ccc(OCCOC(=O)[C@@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000860174042 1329166176 /nfs/dbraw/zinc/16/61/76/1329166176.db2.gz IKFFSSVHOLIJIW-ZDUSSCGKSA-N 0 0 335.356 3.106 10 5 EGBERN C[C@@H](NC(=O)N1CCC2(CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252811 1325098531 /nfs/dbraw/zinc/09/85/31/1325098531.db2.gz QMBFWSADUOFQDZ-CQSZACIVSA-N 0 0 347.415 3.401 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860326620 1329305150 /nfs/dbraw/zinc/30/51/50/1329305150.db2.gz ZZBQZSVNDZARHB-QMMMGPOBSA-N 0 0 349.261 3.013 10 5 EGBERN CN(CC1(O)CCCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860375465 1329311281 /nfs/dbraw/zinc/31/12/81/1329311281.db2.gz VJPIQOYQTHCSIP-UHFFFAOYSA-N 0 0 328.368 3.125 10 5 EGBERN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860619105 1329336780 /nfs/dbraw/zinc/33/67/80/1329336780.db2.gz OUTZTVMZRLVODD-PXAZEXFGSA-N 0 0 328.368 3.124 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCS1 ZINC000927247392 1327930679 /nfs/dbraw/zinc/93/06/79/1327930679.db2.gz NPVXWRDRTQHAJW-TZMCWYRMSA-N 0 0 337.445 3.063 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861068940 1329385118 /nfs/dbraw/zinc/38/51/18/1329385118.db2.gz FUVYNNNYFQLDFU-SNVBAGLBSA-N 0 0 327.768 3.186 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927304433 1327965357 /nfs/dbraw/zinc/96/53/57/1327965357.db2.gz CNQBOIYNJLTBLE-SCLBCKFNSA-N 0 0 326.327 3.148 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927317660 1327970178 /nfs/dbraw/zinc/97/01/78/1327970178.db2.gz PFIFXFOMWRTHPR-FXAWDEMLSA-N 0 0 336.391 3.328 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000928139207 1328213005 /nfs/dbraw/zinc/21/30/05/1328213005.db2.gz SLCOQGUJFCRDIZ-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928146014 1328216545 /nfs/dbraw/zinc/21/65/45/1328216545.db2.gz RWUHXYFGJBTYHZ-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928281512 1328275587 /nfs/dbraw/zinc/27/55/87/1328275587.db2.gz ZAOJSURHNOKGCI-CQSZACIVSA-N 0 0 345.424 3.075 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1cccc(F)c1)C1CCC1 ZINC000928665945 1328387330 /nfs/dbraw/zinc/38/73/30/1328387330.db2.gz HHHZHEJCEUVIFD-UHFFFAOYSA-N 0 0 329.331 3.324 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cc(F)ccc1OC ZINC000928779753 1328435156 /nfs/dbraw/zinc/43/51/56/1328435156.db2.gz QOEFNCZRTQAKSS-ZDUSSCGKSA-N 0 0 333.319 3.019 10 5 EGBERN CCn1ccc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC000861446825 1329419026 /nfs/dbraw/zinc/41/90/26/1329419026.db2.gz YSUDKNZFUPWDSK-GFCCVEGCSA-N 0 0 343.261 3.272 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1cccc([N+](=O)[O-])c1Cl ZINC000861583759 1329428073 /nfs/dbraw/zinc/42/80/73/1329428073.db2.gz APMVKOJRBXGXFG-UHFFFAOYSA-N 0 0 332.747 3.243 10 5 EGBERN C[C@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862133397 1329461036 /nfs/dbraw/zinc/46/10/36/1329461036.db2.gz PMLANWZQYWNURP-GFCCVEGCSA-N 0 0 328.368 3.293 10 5 EGBERN COCC1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC1 ZINC000862158921 1329463216 /nfs/dbraw/zinc/46/32/16/1329463216.db2.gz AYIDXAQVILBMEO-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@](C)(C(F)F)O1 ZINC000862242160 1329469945 /nfs/dbraw/zinc/46/99/45/1329469945.db2.gz YVJPRFUKPROOEB-CLAHSXSESA-N 0 0 348.733 3.133 10 5 EGBERN CC1(c2nsc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)n2)CC1 ZINC000862610706 1329499083 /nfs/dbraw/zinc/49/90/83/1329499083.db2.gz VCCSRAAQBVOJAN-UHFFFAOYSA-N 0 0 338.776 3.404 10 5 EGBERN Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000862629808 1329500550 /nfs/dbraw/zinc/50/05/50/1329500550.db2.gz RMKFWKKZIKWUIL-OAHLLOKOSA-N 0 0 349.406 3.179 10 5 EGBERN Cc1nn(CCC(=O)NC2(C)CCC(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000862967881 1329520913 /nfs/dbraw/zinc/52/09/13/1329520913.db2.gz ZUXQJPRDJNWMBI-UHFFFAOYSA-N 0 0 336.436 3.273 10 5 EGBERN Cn1c(C(=O)Nc2cccc3c2OC(C)(C)CC3)ccc1[N+](=O)[O-] ZINC000863048371 1329526084 /nfs/dbraw/zinc/52/60/84/1329526084.db2.gz REUUYKORSIMAAD-UHFFFAOYSA-N 0 0 329.356 3.289 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863245773 1329538727 /nfs/dbraw/zinc/53/87/27/1329538727.db2.gz HBNRYMWEIKRONB-YTQUADARSA-N 0 0 336.391 3.399 10 5 EGBERN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccns1 ZINC000863603334 1329566024 /nfs/dbraw/zinc/56/60/24/1329566024.db2.gz KSWRPYWYYNUTSX-VIFPVBQESA-N 0 0 332.385 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(OCCS(=O)(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000864439332 1329614686 /nfs/dbraw/zinc/61/46/86/1329614686.db2.gz QGXNHJFBTGEWPU-QGZVFWFLSA-N 0 0 347.392 3.076 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865260418 1329680888 /nfs/dbraw/zinc/68/08/88/1329680888.db2.gz OJCHUFVKLDEAGK-IUODEOHRSA-N 0 0 335.429 3.086 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000865343237 1329687501 /nfs/dbraw/zinc/68/75/01/1329687501.db2.gz GZHYTNCZVUKPNG-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(C)c(Cl)n1 ZINC000865352442 1329688373 /nfs/dbraw/zinc/68/83/73/1329688373.db2.gz MCKDYIUJBRYCBJ-UHFFFAOYSA-N 0 0 345.584 3.267 10 5 EGBERN CCC[C@@H](O)CCCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000865380786 1329690358 /nfs/dbraw/zinc/69/03/58/1329690358.db2.gz CLJMIQNBSGPLAI-GFCCVEGCSA-N 0 0 326.418 3.208 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCSC(F)(F)F ZINC000865446895 1329698648 /nfs/dbraw/zinc/69/86/48/1329698648.db2.gz CZSWRICYUNBZQH-UHFFFAOYSA-N 0 0 338.233 3.012 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC(F)(c3ccccn3)CC2)cc1F ZINC000865849195 1329745274 /nfs/dbraw/zinc/74/52/74/1329745274.db2.gz MAVDCLDZVCKFJP-UHFFFAOYSA-N 0 0 349.337 3.086 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCSC1 ZINC000865984455 1329756723 /nfs/dbraw/zinc/75/67/23/1329756723.db2.gz HRTAFJZNRUNMAU-LLVKDONJSA-N 0 0 337.401 3.107 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])[C@@H]1O ZINC000866002344 1329758059 /nfs/dbraw/zinc/75/80/59/1329758059.db2.gz UOXAOHRFBZGJGX-VUCTXSBTSA-N 0 0 327.384 3.129 10 5 EGBERN CC(C)(C)OC(=O)COCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000866029820 1329760290 /nfs/dbraw/zinc/76/02/90/1329760290.db2.gz RGMNEBPCUPUOAZ-UHFFFAOYSA-N 0 0 346.330 3.303 10 5 EGBERN NC(=O)c1cc(N2CCC[C@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000866148945 1330070890 /nfs/dbraw/zinc/07/08/90/1330070890.db2.gz BJYLOBBZZNFEOX-GOSISDBHSA-N 0 0 343.358 3.159 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866175266 1330073430 /nfs/dbraw/zinc/07/34/30/1330073430.db2.gz JPNCUCXHTAUMAJ-AWEZNQCLSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CC3(CO2)CCOCC3)c2ccncc21 ZINC000866178021 1330074167 /nfs/dbraw/zinc/07/41/67/1330074167.db2.gz MLVUNPMHOURFDF-CYBMUJFWSA-N 0 0 343.383 3.141 10 5 EGBERN CC1(C)CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866183502 1330074828 /nfs/dbraw/zinc/07/48/28/1330074828.db2.gz BEDWEHDCPCMQRE-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN CC(=O)c1cc(NC[C@H]2c3ccccc3CN2C)ccc1[N+](=O)[O-] ZINC000866194091 1330076383 /nfs/dbraw/zinc/07/63/83/1330076383.db2.gz GUHFERNFZZIELO-SFHVURJKSA-N 0 0 325.368 3.396 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402168 1330106938 /nfs/dbraw/zinc/10/69/38/1330106938.db2.gz ICCSLSUEPNKWMG-CJNGLKHVSA-N 0 0 346.456 3.151 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867509697 1330207264 /nfs/dbraw/zinc/20/72/64/1330207264.db2.gz RBQQFJCRMPXIAZ-MWLCHTKSSA-N 0 0 348.296 3.466 10 5 EGBERN COc1ccc(C)cc1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868013131 1330240592 /nfs/dbraw/zinc/24/05/92/1330240592.db2.gz OSFWGNMWNYBQIZ-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000868342909 1330272295 /nfs/dbraw/zinc/27/22/95/1330272295.db2.gz ZSKNGMLOHSPKOW-QEJZJMRPSA-N 0 0 349.456 3.359 10 5 EGBERN CCc1cnccc1[C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868475530 1330283867 /nfs/dbraw/zinc/28/38/67/1330283867.db2.gz HMMUZUOTPDQTSB-CYBMUJFWSA-N 0 0 342.399 3.421 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000868568949 1330294899 /nfs/dbraw/zinc/29/48/99/1330294899.db2.gz RMFLLBFSOYBUEM-LBPRGKRZSA-N 0 0 327.331 3.138 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000868654356 1330305916 /nfs/dbraw/zinc/30/59/16/1330305916.db2.gz AHCUUCPTYAAZIV-ZFWWWQNUSA-N 0 0 347.415 3.162 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000868655266 1330306610 /nfs/dbraw/zinc/30/66/10/1330306610.db2.gz MLSWXIDKBAYQBY-AFAVFJNCSA-N 0 0 347.415 3.303 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869251369 1330446847 /nfs/dbraw/zinc/44/68/47/1330446847.db2.gz QERZXPDNZWVMKR-MEDUHNTESA-N 0 0 328.343 3.121 10 5 EGBERN C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCC(F)CC1 ZINC000869286362 1330453562 /nfs/dbraw/zinc/45/35/62/1330453562.db2.gz DUMFDDYSNGXSDI-ZBOXLXRLSA-N 0 0 326.343 3.309 10 5 EGBERN CCCCC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000869470548 1330506709 /nfs/dbraw/zinc/50/67/09/1330506709.db2.gz QZKRCAOAROXABE-UHFFFAOYSA-N 0 0 331.271 3.112 10 5 EGBERN C[C@H](OC(=O)[C@@]12C[C@@H]1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000869707693 1330549172 /nfs/dbraw/zinc/54/91/72/1330549172.db2.gz OTPYRVJWXYPNBZ-PRXAMGSTSA-N 0 0 332.356 3.045 10 5 EGBERN CCc1cnc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC000869811377 1330568991 /nfs/dbraw/zinc/56/89/91/1330568991.db2.gz PCKYWBCTVOXWRE-UHFFFAOYSA-N 0 0 330.340 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(Cc3ccccn3)o2)c2ncccc12 ZINC001323010980 1387265645 /nfs/dbraw/zinc/26/56/45/1387265645.db2.gz DPZIPIWILHFCEO-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C)n1 ZINC001324515365 1387657554 /nfs/dbraw/zinc/65/75/54/1387657554.db2.gz DCYAAHKJUICZKJ-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN NC(=O)c1cc(NCC2(Sc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001185263499 1387662748 /nfs/dbraw/zinc/66/27/48/1387662748.db2.gz OYQQFROWUACQDV-UHFFFAOYSA-N 0 0 343.408 3.431 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(S[C@H](C)CC(=O)OC)cc1C ZINC001185375173 1387695893 /nfs/dbraw/zinc/69/58/93/1387695893.db2.gz BHBSJFMPZCXTGJ-SNVBAGLBSA-N 0 0 341.385 3.124 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001185518273 1387737236 /nfs/dbraw/zinc/73/72/36/1387737236.db2.gz JLHNFJVAXKGPKY-CYBMUJFWSA-N 0 0 335.404 3.349 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOCc1ccccc1 ZINC001185583417 1387756192 /nfs/dbraw/zinc/75/61/92/1387756192.db2.gz JLPVMWXTGLQHCH-UHFFFAOYSA-N 0 0 344.367 3.319 10 5 EGBERN Cc1cc(C)c2c(c1)CN(c1cc(F)c([N+](=O)[O-])cc1CO)CC2 ZINC001186158085 1387885564 /nfs/dbraw/zinc/88/55/64/1387885564.db2.gz ZOSCXNLLKAJSNJ-UHFFFAOYSA-N 0 0 330.359 3.406 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nnc(CNC2(c3ccccc3)CC2)o1 ZINC001192548192 1367813199 /nfs/dbraw/zinc/81/31/99/1367813199.db2.gz ZNODKQKJIJEPTP-UHFFFAOYSA-N 0 0 336.351 3.424 10 5 EGBERN C[C@H](C(=O)Nc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1F ZINC001325233604 1387919616 /nfs/dbraw/zinc/91/96/16/1387919616.db2.gz WYLWEJOTBLNHPC-VIFPVBQESA-N 0 0 332.335 3.087 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001186498923 1387955950 /nfs/dbraw/zinc/95/59/50/1387955950.db2.gz IOEGPUWKXMCNOK-AWEZNQCLSA-N 0 0 331.328 3.173 10 5 EGBERN C[C@@H]1CCC[C@@]1(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001186571631 1387971625 /nfs/dbraw/zinc/97/16/25/1387971625.db2.gz NNWURQMNKHHNQO-QLJPJBMISA-N 0 0 335.791 3.181 10 5 EGBERN NC(=O)N1CCC[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001186627663 1387989190 /nfs/dbraw/zinc/98/91/90/1387989190.db2.gz VBVNDPDRIOVRDZ-MRVPVSSYSA-N 0 0 347.202 3.104 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccc(C(C)=O)cc3C2)c1 ZINC001186681566 1387997884 /nfs/dbraw/zinc/99/78/84/1387997884.db2.gz SESAJQJROAHCLM-UHFFFAOYSA-N 0 0 340.335 3.104 10 5 EGBERN C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001186864544 1388016929 /nfs/dbraw/zinc/01/69/29/1388016929.db2.gz LCCWCVJKLHYNQQ-SDDRHHMPSA-N 0 0 327.812 3.158 10 5 EGBERN COC(=O)c1cnc(N[C@H]2[C@H](c3ccccc3)C2(C)C)c([N+](=O)[O-])c1 ZINC001187109101 1388054238 /nfs/dbraw/zinc/05/42/38/1388054238.db2.gz SQYOCARZCZENMV-GJZGRUSLSA-N 0 0 341.367 3.381 10 5 EGBERN COC(=O)c1ccnc(N(C)C[C@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001187280153 1388086617 /nfs/dbraw/zinc/08/66/17/1388086617.db2.gz JDFGQHYHYGDZTK-LBPRGKRZSA-N 0 0 335.404 3.429 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@@H]3CCC[C@H](C)C3)C2)n1 ZINC001187393039 1388102416 /nfs/dbraw/zinc/10/24/16/1388102416.db2.gz VHNMZXBQJQWCIN-NWDGAFQWSA-N 0 0 333.388 3.039 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](Cn2ccnc2)c2ccccc2)nc2ccccn21 ZINC001187430968 1388106726 /nfs/dbraw/zinc/10/67/26/1388106726.db2.gz UWCOVGOVKPSCNU-OAHLLOKOSA-N 0 0 348.366 3.292 10 5 EGBERN CNC(=O)N(C)c1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC001187470752 1388113763 /nfs/dbraw/zinc/11/37/63/1388113763.db2.gz QEIWPGKXLPXFCX-UHFFFAOYSA-N 0 0 345.315 3.022 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001118301660 1371160520 /nfs/dbraw/zinc/16/05/20/1371160520.db2.gz JZEVOMIGPMZSHA-ZIAGYGMSSA-N 0 0 329.759 3.071 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001118479450 1371187398 /nfs/dbraw/zinc/18/73/98/1371187398.db2.gz MFLHVQZEJHAVBZ-WFASDCNBSA-N 0 0 346.339 3.108 10 5 EGBERN O=C(N[C@H]1CCSC2(CCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119708700 1371391397 /nfs/dbraw/zinc/39/13/97/1371391397.db2.gz BGJAIWGAMMDPDX-AWEZNQCLSA-N 0 0 347.440 3.438 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccn3)CC2)c(F)c1 ZINC001187662404 1388138510 /nfs/dbraw/zinc/13/85/10/1388138510.db2.gz AXXGXYVOBJFXJS-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC001326295613 1388145120 /nfs/dbraw/zinc/14/51/20/1388145120.db2.gz KAELWLIXSQZBIE-CYBMUJFWSA-N 0 0 348.346 3.326 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001187757033 1388156176 /nfs/dbraw/zinc/15/61/76/1388156176.db2.gz DRVPKSSYSWTSIC-BLLLJJGKSA-N 0 0 331.347 3.074 10 5 EGBERN COc1ccc(CN(CCCO)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001187840772 1388175330 /nfs/dbraw/zinc/17/53/30/1388175330.db2.gz DNCRYVBUTICVDM-UHFFFAOYSA-N 0 0 330.384 3.301 10 5 EGBERN COc1cc(C(=O)OCC(C)(C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC001123262596 1372409923 /nfs/dbraw/zinc/40/99/23/1372409923.db2.gz TYKKICZITVKFTB-UHFFFAOYSA-N 0 0 337.372 3.213 10 5 EGBERN Cn1cc(-c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cn1 ZINC001124331503 1372692809 /nfs/dbraw/zinc/69/28/09/1372692809.db2.gz GHVVDYFHJGKDDS-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN O=C(Cc1nsc2ccccc12)OCc1ccc([N+](=O)[O-])cc1 ZINC001124350290 1372694319 /nfs/dbraw/zinc/69/43/19/1372694319.db2.gz LWUHMZVJVUTXSM-UHFFFAOYSA-N 0 0 328.349 3.490 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1ccccc1F ZINC001124363198 1372695427 /nfs/dbraw/zinc/69/54/27/1372695427.db2.gz BXMOGTOWMCXTGK-UHFFFAOYSA-N 0 0 334.322 3.165 10 5 EGBERN COC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001124396087 1372698538 /nfs/dbraw/zinc/69/85/38/1372698538.db2.gz DNNNRIDAGDZRFE-UHFFFAOYSA-N 0 0 329.312 3.334 10 5 EGBERN COc1ccc(NC(=O)c2noc3c2CC(C)(C)CC3)c([N+](=O)[O-])c1 ZINC001124404260 1372698990 /nfs/dbraw/zinc/69/89/90/1372698990.db2.gz ZRYVFVMLZMIGKR-UHFFFAOYSA-N 0 0 345.355 3.359 10 5 EGBERN C[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001124550813 1372711501 /nfs/dbraw/zinc/71/15/01/1372711501.db2.gz IMDYVCSLMSDLSI-NSHDSACASA-N 0 0 328.324 3.090 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC001124684411 1372721580 /nfs/dbraw/zinc/72/15/80/1372721580.db2.gz FYBBJXQEBWFPBI-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F ZINC001124775814 1372729600 /nfs/dbraw/zinc/72/96/00/1372729600.db2.gz BXKHHFIURUDUDT-UHFFFAOYSA-N 0 0 335.266 3.084 10 5 EGBERN COc1ccc(CNC(=O)c2cccc3scnc32)cc1[N+](=O)[O-] ZINC001125319867 1372769878 /nfs/dbraw/zinc/76/98/78/1372769878.db2.gz NCINCVGMABBZOJ-UHFFFAOYSA-N 0 0 343.364 3.143 10 5 EGBERN COc1cccc(C(F)(F)C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC001125406983 1372782978 /nfs/dbraw/zinc/78/29/78/1372782978.db2.gz NVJZCZYHMWWWCL-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ncccc1-c1ccccn1 ZINC001125407056 1372783009 /nfs/dbraw/zinc/78/30/09/1372783009.db2.gz QNLAPFSBAGVTNP-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN CCCOc1ncccc1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001125406227 1372783064 /nfs/dbraw/zinc/78/30/64/1372783064.db2.gz HLVDJTJHSFKAOS-UHFFFAOYSA-N 0 0 343.383 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCCOCc2ccccc2)n1 ZINC001125605406 1372817476 /nfs/dbraw/zinc/81/74/76/1372817476.db2.gz COCIERMAVHGBTM-UHFFFAOYSA-N 0 0 343.383 3.025 10 5 EGBERN Cc1cn2cc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC001125613632 1372819357 /nfs/dbraw/zinc/81/93/57/1372819357.db2.gz KHJJZHCWYMJAAV-JKSUJKDBSA-N 0 0 336.351 3.293 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccn1 ZINC001126317925 1372956805 /nfs/dbraw/zinc/95/68/05/1372956805.db2.gz ISFUEXDQDWAZCP-SNVBAGLBSA-N 0 0 335.747 3.358 10 5 EGBERN Cc1nn(C)c(Cl)c1COC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001126480281 1372968957 /nfs/dbraw/zinc/96/89/57/1372968957.db2.gz FGSJNAQTYPMQSQ-UHFFFAOYSA-N 0 0 337.763 3.264 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)/C=C\c2ccncc2C)cc1[N+](=O)[O-] ZINC001126612436 1372983035 /nfs/dbraw/zinc/98/30/35/1372983035.db2.gz VILNMEJZUMTTRF-AFNCTOJWSA-N 0 0 325.368 3.497 10 5 EGBERN O=C(O[C@H]1CCc2cc(F)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001126779732 1373021811 /nfs/dbraw/zinc/02/18/11/1373021811.db2.gz FYLZFVBJDBYNQO-HNNXBMFYSA-N 0 0 341.298 3.455 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC001127278812 1373111919 /nfs/dbraw/zinc/11/19/19/1373111919.db2.gz RUEZSFRCXNNARW-VIFPVBQESA-N 0 0 338.285 3.432 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1OC ZINC001127567858 1373140363 /nfs/dbraw/zinc/14/03/63/1373140363.db2.gz QVRWVJWTAQGOEH-DAXOMENPSA-N 0 0 334.416 3.473 10 5 EGBERN CC[C@H](OC(=O)c1nnn(C(C)C)c1C)c1cccc([N+](=O)[O-])c1 ZINC001127623615 1373149359 /nfs/dbraw/zinc/14/93/59/1373149359.db2.gz DNBOPSWMKRJQBY-AWEZNQCLSA-N 0 0 332.360 3.384 10 5 EGBERN Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c(C)cn1 ZINC001127646856 1373152493 /nfs/dbraw/zinc/15/24/93/1373152493.db2.gz WWORILKLBQSOEE-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)[C@@H]1OC ZINC001127654291 1373153793 /nfs/dbraw/zinc/15/37/93/1373153793.db2.gz FJSJHYDCVPXOAX-MAZHCROVSA-N 0 0 334.416 3.473 10 5 EGBERN C[C@@H]1CC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC001127685685 1373161778 /nfs/dbraw/zinc/16/17/78/1373161778.db2.gz BKDXQENOFSNMTB-GHMZBOCLSA-N 0 0 343.383 3.016 10 5 EGBERN CC[C@@H](C)N(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H](C)CC ZINC001127769276 1373177471 /nfs/dbraw/zinc/17/74/71/1373177471.db2.gz YAOWWBILPXOKLA-BETUJISGSA-N 0 0 345.403 3.215 10 5 EGBERN O=C(Oc1ccc2nccnc2c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127784338 1373179422 /nfs/dbraw/zinc/17/94/22/1373179422.db2.gz SXFROMAMPDJZFE-LSDHHAIUSA-N 0 0 335.319 3.247 10 5 EGBERN C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cnccn1 ZINC001127804398 1373184140 /nfs/dbraw/zinc/18/41/40/1373184140.db2.gz WFAVVEVIBDTAOV-QMMMGPOBSA-N 0 0 341.245 3.322 10 5 EGBERN Cc1cccc(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC001127962632 1373204308 /nfs/dbraw/zinc/20/43/08/1373204308.db2.gz IQUBNZGZBVUCKN-UHFFFAOYSA-N 0 0 335.319 3.273 10 5 EGBERN Cc1cc(NC(=O)c2ccc(C)c(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967913 1373205325 /nfs/dbraw/zinc/20/53/25/1373205325.db2.gz TXKPKDNOKFBKGE-UHFFFAOYSA-N 0 0 336.351 3.137 10 5 EGBERN COc1cccc(Cl)c1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001127980046 1373205872 /nfs/dbraw/zinc/20/58/72/1373205872.db2.gz IJYGQWBMOOUAPD-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN CC(C)C(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC001128130284 1373221524 /nfs/dbraw/zinc/22/15/24/1373221524.db2.gz MIRAVGIKKQPEMO-UHFFFAOYSA-N 0 0 344.415 3.439 10 5 EGBERN CC1(C)CCC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001128173279 1373229012 /nfs/dbraw/zinc/22/90/12/1373229012.db2.gz MZOIWYMBXJXMHR-LRDDRELGSA-N 0 0 345.399 3.173 10 5 EGBERN CCO[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001128295710 1373247844 /nfs/dbraw/zinc/24/78/44/1373247844.db2.gz XDKNCCFELSNLKV-QGZVFWFLSA-N 0 0 334.416 3.191 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C[C@@H]1COc2ccccc2O1 ZINC001128304965 1373249914 /nfs/dbraw/zinc/24/99/14/1373249914.db2.gz IBQXQNAKSXVICT-LLVKDONJSA-N 0 0 346.314 3.211 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C/c1ccccn1 ZINC001128408383 1373263373 /nfs/dbraw/zinc/26/33/73/1373263373.db2.gz VFTIOOAYUWKJEU-ZRDIBKRKSA-N 0 0 327.340 3.431 10 5 EGBERN CSc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001128917714 1373324579 /nfs/dbraw/zinc/32/45/79/1373324579.db2.gz BHHWHOKCLLAIDK-UHFFFAOYSA-N 0 0 347.348 3.307 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1c(F)ccnc1F ZINC001129483471 1373388985 /nfs/dbraw/zinc/38/89/85/1373388985.db2.gz QATPWANZYKABKK-UHFFFAOYSA-N 0 0 341.701 3.493 10 5 EGBERN COc1ccccc1N(C(=O)c1cc([N+](=O)[O-])cc(C)n1)C(C)C ZINC001129528561 1373394567 /nfs/dbraw/zinc/39/45/67/1373394567.db2.gz IVMOJXDCXKAKSA-UHFFFAOYSA-N 0 0 329.356 3.362 10 5 EGBERN Cc1c(C(=O)O[C@@H](C)c2cncc(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001129619967 1373403958 /nfs/dbraw/zinc/40/39/58/1373403958.db2.gz XNOXWZHHAZOYGM-VIFPVBQESA-N 0 0 349.274 3.264 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001129816248 1373425723 /nfs/dbraw/zinc/42/57/23/1373425723.db2.gz NEQUFOXMUWMENT-SECBINFHSA-N 0 0 334.353 3.185 10 5 EGBERN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccncc1 ZINC001129879899 1373431148 /nfs/dbraw/zinc/43/11/48/1373431148.db2.gz SUJCUHGDYRRLJK-GFCCVEGCSA-N 0 0 343.236 3.162 10 5 EGBERN CCc1cc(C(=O)OC)c(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC001129974990 1373441818 /nfs/dbraw/zinc/44/18/18/1373441818.db2.gz PYPWYRLSFODZKY-UHFFFAOYSA-N 0 0 334.353 3.258 10 5 EGBERN Cc1cccc(C2(NC(=O)COc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC001130108799 1373457017 /nfs/dbraw/zinc/45/70/17/1373457017.db2.gz PVLDLBRYACEYDW-UHFFFAOYSA-N 0 0 340.379 3.478 10 5 EGBERN C[C@@H](c1ccccc1)n1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC001130222878 1373475811 /nfs/dbraw/zinc/47/58/11/1373475811.db2.gz MAXBZZVJMLLIMG-LBPRGKRZSA-N 0 0 337.339 3.048 10 5 EGBERN Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)n2)cc1 ZINC001130552278 1373559490 /nfs/dbraw/zinc/55/94/90/1373559490.db2.gz PWHLYPOIDZULGU-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1oc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)nc1C1CC1 ZINC001130650061 1373575445 /nfs/dbraw/zinc/57/54/45/1373575445.db2.gz OCRRSFKWGCSACW-UHFFFAOYSA-N 0 0 348.334 3.226 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(N(C)C)c2)c1 ZINC001130711688 1373583199 /nfs/dbraw/zinc/58/31/99/1373583199.db2.gz KSNVQBUZGRAZTO-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN CC(C)c1ncsc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130850379 1373598255 /nfs/dbraw/zinc/59/82/55/1373598255.db2.gz VGYJQCGLUPMIOO-UHFFFAOYSA-N 0 0 337.313 3.302 10 5 EGBERN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001130844236 1373598424 /nfs/dbraw/zinc/59/84/24/1373598424.db2.gz VCTISVWJVVFNCG-CQSZACIVSA-N 0 0 346.358 3.494 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccc2nccn2c1 ZINC001130956926 1373615936 /nfs/dbraw/zinc/61/59/36/1373615936.db2.gz ITCSYNPZUVRHAU-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001130959160 1373616516 /nfs/dbraw/zinc/61/65/16/1373616516.db2.gz ADIGRWSLLMNUSG-GFCCVEGCSA-N 0 0 339.355 3.238 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001131039713 1373629935 /nfs/dbraw/zinc/62/99/35/1373629935.db2.gz ZYGXJKSYIADPCO-UHFFFAOYSA-N 0 0 341.323 3.486 10 5 EGBERN O=C(OCc1cnsc1)c1cc([N+](=O)[O-])ccc1Br ZINC001131167161 1373656014 /nfs/dbraw/zinc/65/60/14/1373656014.db2.gz ZGHZIDCSLKJZTD-UHFFFAOYSA-N 0 0 343.158 3.171 10 5 EGBERN CC(C)n1nccc1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251222 1373669263 /nfs/dbraw/zinc/66/92/63/1373669263.db2.gz YHYUMADEUHTYNJ-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cc1 ZINC001131459552 1373702783 /nfs/dbraw/zinc/70/27/83/1373702783.db2.gz MUMZAPKFZMEEFD-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN Cc1ccc2nc(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)cn2c1 ZINC001131462106 1373702881 /nfs/dbraw/zinc/70/28/81/1373702881.db2.gz APLSBOAZRWOCCB-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC001131580854 1373725336 /nfs/dbraw/zinc/72/53/36/1373725336.db2.gz YINSIUIOJLHHJO-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN Cc1cnc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cn1 ZINC001131962910 1375073023 /nfs/dbraw/zinc/07/30/23/1375073023.db2.gz SCGSCTDRGYCDLO-LBPRGKRZSA-N 0 0 341.245 3.154 10 5 EGBERN CCC(C)(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001132241251 1375237803 /nfs/dbraw/zinc/23/78/03/1375237803.db2.gz GDWVQNCXUXZDNN-UHFFFAOYSA-N 0 0 330.388 3.337 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001132747385 1375543525 /nfs/dbraw/zinc/54/35/25/1375543525.db2.gz NFXDDBYGESASIA-JTQLQIEISA-N 0 0 341.323 3.487 10 5 EGBERN Cc1ccc2ccccc2c1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001132809491 1375575048 /nfs/dbraw/zinc/57/50/48/1375575048.db2.gz ABVPVOHDRQLZOD-UHFFFAOYSA-N 0 0 325.324 3.249 10 5 EGBERN O=C(NCC1(CC2CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001132985045 1375693650 /nfs/dbraw/zinc/69/36/50/1375693650.db2.gz NFXDAZBSLKSVGY-UHFFFAOYSA-N 0 0 340.383 3.091 10 5 EGBERN O=C(Nc1cscc1Cl)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001133067046 1375755131 /nfs/dbraw/zinc/75/51/31/1375755131.db2.gz CZRCTHOSJRHQJA-UHFFFAOYSA-N 0 0 349.759 3.143 10 5 EGBERN O=C(NCCC[C@H]1C=CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001133081393 1375763688 /nfs/dbraw/zinc/76/36/88/1375763688.db2.gz AADCMGCHELTYSH-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccn1)c1ccccc1[N+](=O)[O-] ZINC001133120348 1375786535 /nfs/dbraw/zinc/78/65/35/1375786535.db2.gz UAZWAPRCQQZFIS-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001133269317 1375884903 /nfs/dbraw/zinc/88/49/03/1375884903.db2.gz MWBAGMGHCBKIMA-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC001133480100 1376033124 /nfs/dbraw/zinc/03/31/24/1376033124.db2.gz NMTLOVOAKCDMTE-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN C[C@H](NC(=O)c1cc2nccnc2cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001133483892 1376034732 /nfs/dbraw/zinc/03/47/32/1376034732.db2.gz GBLBZVQPORBOGL-JTQLQIEISA-N 0 0 340.314 3.168 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1C ZINC001133550912 1376080752 /nfs/dbraw/zinc/08/07/52/1376080752.db2.gz MSVJRSIGYGRMKQ-LBPRGKRZSA-N 0 0 329.356 3.106 10 5 EGBERN Cc1cccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001133701482 1376165662 /nfs/dbraw/zinc/16/56/62/1376165662.db2.gz FJAAIJCKFJCGSH-HIFRSBDPSA-N 0 0 330.315 3.105 10 5 EGBERN Cc1ccc(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001133775849 1376202398 /nfs/dbraw/zinc/20/23/98/1376202398.db2.gz MMGZGZPBJGUAKV-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN CC(C)(C)n1cnc(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001135225676 1376986752 /nfs/dbraw/zinc/98/67/52/1376986752.db2.gz FGDUADBNVUOKNJ-UHFFFAOYSA-N 0 0 339.355 3.347 10 5 EGBERN Cc1ccc(NC(=O)Cc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001135880731 1377247951 /nfs/dbraw/zinc/24/79/51/1377247951.db2.gz MQSBYUKIGSQBNQ-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN COc1cccc([C@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001136178110 1377361595 /nfs/dbraw/zinc/36/15/95/1377361595.db2.gz MJPKUMCDOFCDNF-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN O=C(NCc1cccc(Cl)c1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136178860 1377361646 /nfs/dbraw/zinc/36/16/46/1377361646.db2.gz MCGORQGDSVIFMK-UHFFFAOYSA-N 0 0 349.561 3.208 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3ccccc3C2)cc1Cl ZINC001136241043 1377367929 /nfs/dbraw/zinc/36/79/29/1377367929.db2.gz CBIYNPCBTODVMM-LBPRGKRZSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1ccccc1[C@@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136326581 1377378234 /nfs/dbraw/zinc/37/82/34/1377378234.db2.gz IKGHRZWXVDBKGC-NSHDSACASA-N 0 0 334.763 3.257 10 5 EGBERN O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136386450 1377386223 /nfs/dbraw/zinc/38/62/23/1377386223.db2.gz FTBBXGNRCMDVOK-CVEARBPZSA-N 0 0 346.770 3.085 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)ccc1-n1ccnc1 ZINC001136624594 1377410546 /nfs/dbraw/zinc/41/05/46/1377410546.db2.gz AWSCGYRQJYKLNC-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)o1 ZINC001137037020 1377463001 /nfs/dbraw/zinc/46/30/01/1377463001.db2.gz MFPARYYAFNXSOA-ZWNOBZJWSA-N 0 0 344.371 3.087 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001137072421 1377473123 /nfs/dbraw/zinc/47/31/23/1377473123.db2.gz CJDSKERHUJRZBN-BIMULSAOSA-N 0 0 342.367 3.189 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC(C2CCCC2)CC1 ZINC001137101587 1377478173 /nfs/dbraw/zinc/47/81/73/1377478173.db2.gz PJYGGYPLFHVRCB-UHFFFAOYSA-N 0 0 326.784 3.014 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC001137482096 1377555878 /nfs/dbraw/zinc/55/58/78/1377555878.db2.gz ODSDNDRLYCSUDF-GFCCVEGCSA-N 0 0 346.358 3.451 10 5 EGBERN Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001137569413 1377567115 /nfs/dbraw/zinc/56/71/15/1377567115.db2.gz YICIUKKJTQKYDP-UHFFFAOYSA-N 0 0 330.678 3.470 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)c2c1 ZINC001137600050 1377570706 /nfs/dbraw/zinc/57/07/06/1377570706.db2.gz PHLDAMXUPICFFV-UHFFFAOYSA-N 0 0 344.302 3.180 10 5 EGBERN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001139346241 1377871200 /nfs/dbraw/zinc/87/12/00/1377871200.db2.gz URHHUTHRUQWBIA-PIGZYNQJSA-N 0 0 330.388 3.304 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001139892835 1377973670 /nfs/dbraw/zinc/97/36/70/1377973670.db2.gz VVHBPOGMOABKLO-DGCLKSJQSA-N 0 0 349.749 3.255 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC001273651387 1378107423 /nfs/dbraw/zinc/10/74/23/1378107423.db2.gz UOXHUOCFMZZBGC-UHFFFAOYSA-N 0 0 339.351 3.281 10 5 EGBERN CNc1nc(C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001141183949 1378261000 /nfs/dbraw/zinc/26/10/00/1378261000.db2.gz IJUDLCRDGBUXSB-UHFFFAOYSA-N 0 0 343.387 3.413 10 5 EGBERN CCc1ccc([C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC001141271366 1378288821 /nfs/dbraw/zinc/28/88/21/1378288821.db2.gz UEIBOVHNELUZQQ-MRXNPFEDSA-N 0 0 343.383 3.385 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC=C(c2ccccn2)C1 ZINC001141387845 1378315567 /nfs/dbraw/zinc/31/55/67/1378315567.db2.gz XKMTYWYYYBHDFG-UHFFFAOYSA-N 0 0 327.315 3.058 10 5 EGBERN CC(C)(NC(=O)/C=C/c1ccc(C=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001141502991 1378335481 /nfs/dbraw/zinc/33/54/81/1378335481.db2.gz JAUSONIBELLOPC-VAWYXSNFSA-N 0 0 338.363 3.472 10 5 EGBERN Nc1ncc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC001141505763 1378336557 /nfs/dbraw/zinc/33/65/57/1378336557.db2.gz ABXFDMKLXCKXRS-UHFFFAOYSA-N 0 0 346.774 3.030 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)o1 ZINC001143092458 1378537725 /nfs/dbraw/zinc/53/77/25/1378537725.db2.gz BQWIBCIUNDPYNM-UHFFFAOYSA-N 0 0 340.133 3.244 10 5 EGBERN O=C(NC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001146261738 1378805551 /nfs/dbraw/zinc/80/55/51/1378805551.db2.gz ONRLSXMAEKLYFV-HNNXBMFYSA-N 0 0 346.770 3.292 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146543208 1378863437 /nfs/dbraw/zinc/86/34/37/1378863437.db2.gz AKWVCPAZQACBID-TZMCWYRMSA-N 0 0 325.368 3.195 10 5 EGBERN CC(C)Nc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001147696107 1379061086 /nfs/dbraw/zinc/06/10/86/1379061086.db2.gz RPKZSSJTQNGLAK-UHFFFAOYSA-N 0 0 329.356 3.433 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc21 ZINC001150039306 1379488292 /nfs/dbraw/zinc/48/82/92/1379488292.db2.gz VCFWITGEAPRYHP-INIZCTEOSA-N 0 0 325.368 3.329 10 5 EGBERN Cc1cccc([C@@H](O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001150415525 1379551739 /nfs/dbraw/zinc/55/17/39/1379551739.db2.gz SIAMRDLHBZRREE-AWEZNQCLSA-N 0 0 334.759 3.020 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC001152830767 1379984163 /nfs/dbraw/zinc/98/41/63/1379984163.db2.gz RSLSYVZDTCFZPC-DAXSKMNVSA-N 0 0 331.759 3.274 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1-c1cn[nH]c1 ZINC001153494995 1380084573 /nfs/dbraw/zinc/08/45/73/1380084573.db2.gz QPZKFLKAWGZBKL-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN CN(CC(=O)N1CC(C)(C)CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001153708672 1380116581 /nfs/dbraw/zinc/11/65/81/1380116581.db2.gz KCOSPVKFTPJTDT-UHFFFAOYSA-N 0 0 333.432 3.316 10 5 EGBERN CC(C)(C)Oc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC001154187333 1380223148 /nfs/dbraw/zinc/22/31/48/1380223148.db2.gz IPMXLTFEZPOIIF-UHFFFAOYSA-N 0 0 343.383 3.284 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1Cc2cccnc2C1 ZINC001155245352 1380428820 /nfs/dbraw/zinc/42/88/20/1380428820.db2.gz FMOVZZNBLYSCGJ-UHFFFAOYSA-N 0 0 337.257 3.165 10 5 EGBERN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cnn1C1CCCC1 ZINC001158232139 1381168341 /nfs/dbraw/zinc/16/83/41/1381168341.db2.gz QPQPREDDYUFBOO-UHFFFAOYSA-N 0 0 343.387 3.358 10 5 EGBERN CC[C@H](C(=O)Nc1ncc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC001288216065 1381731661 /nfs/dbraw/zinc/73/16/61/1381731661.db2.gz NDLABHCPPWOIHP-AWEZNQCLSA-N 0 0 345.355 3.139 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N=[S@]1(=O)CCc2ccccc21 ZINC001289029773 1381974372 /nfs/dbraw/zinc/97/43/72/1381974372.db2.gz POAAVPNYMROMRR-DUFUGNAASA-N 0 0 342.376 3.218 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc(F)cc1 ZINC001289500002 1382002120 /nfs/dbraw/zinc/00/21/20/1382002120.db2.gz RMJFSQLFBVKYHD-SNVBAGLBSA-N 0 0 349.337 3.430 10 5 EGBERN CNc1ccc(C(=O)N(C[C@@H]2CCC[C@@H](C)C2)OC)cc1[N+](=O)[O-] ZINC001160269732 1382057187 /nfs/dbraw/zinc/05/71/87/1382057187.db2.gz WHARFGGWCZLSKR-CHWSQXEVSA-N 0 0 335.404 3.466 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2cc(C3CC3)ccn2)cc1[N+](=O)[O-] ZINC001160374135 1382085618 /nfs/dbraw/zinc/08/56/18/1382085618.db2.gz HRCVGYZNNCQHCQ-UHFFFAOYSA-N 0 0 332.747 3.355 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC001290588768 1382099485 /nfs/dbraw/zinc/09/94/85/1382099485.db2.gz HMLJJQSWCVVWAH-UHFFFAOYSA-N 0 0 342.330 3.191 10 5 EGBERN CC[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001160697200 1382173538 /nfs/dbraw/zinc/17/35/38/1382173538.db2.gz XGHGXRBMOCUHNQ-AWEZNQCLSA-N 0 0 329.356 3.318 10 5 EGBERN O=C(NCc1cccc2ccccc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293133695 1382260998 /nfs/dbraw/zinc/26/09/98/1382260998.db2.gz JICIKZUNDQVRIL-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN C[C@H](CCC1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293407171 1382283697 /nfs/dbraw/zinc/28/36/97/1382283697.db2.gz FSFWZJCPVBNHBE-CXAGYDPISA-N 0 0 334.416 3.493 10 5 EGBERN CCCc1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC001161556251 1382438672 /nfs/dbraw/zinc/43/86/72/1382438672.db2.gz HTHZLELXLTXIMR-UHFFFAOYSA-N 0 0 325.328 3.071 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC001294542702 1382469359 /nfs/dbraw/zinc/46/93/59/1382469359.db2.gz OTDWDIFGFSCIDG-FZMZJTMJSA-N 0 0 332.356 3.047 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1occc1C ZINC001295098863 1382536434 /nfs/dbraw/zinc/53/64/34/1382536434.db2.gz ZKJPDPAPNHPJRD-UHFFFAOYSA-N 0 0 341.371 3.259 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCCOCC1CC1 ZINC001162020913 1382604204 /nfs/dbraw/zinc/60/42/04/1382604204.db2.gz RGFRNORWLFTTIU-UHFFFAOYSA-N 0 0 335.791 3.447 10 5 EGBERN CC(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cn1 ZINC001162345085 1382735659 /nfs/dbraw/zinc/73/56/59/1382735659.db2.gz GZYBLWOLRGELRJ-UHFFFAOYSA-N 0 0 343.387 3.182 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001162407539 1382749525 /nfs/dbraw/zinc/74/95/25/1382749525.db2.gz ALEFODHHMCAKRD-UHFFFAOYSA-N 0 0 340.305 3.491 10 5 EGBERN Cc1ccc(NCCCNc2ncnc3c2CCCC3)c([N+](=O)[O-])c1 ZINC001162575523 1382795538 /nfs/dbraw/zinc/79/55/38/1382795538.db2.gz BMPYQGKXXCTECH-UHFFFAOYSA-N 0 0 341.415 3.486 10 5 EGBERN Cc1cc(=O)[nH]c(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001162753846 1382859942 /nfs/dbraw/zinc/85/99/42/1382859942.db2.gz LFXNWLMHBNDLDZ-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN CCC1(CC)[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001162892188 1382906955 /nfs/dbraw/zinc/90/69/55/1382906955.db2.gz OKICGMXWRZVLQI-GJZGRUSLSA-N 0 0 336.388 3.387 10 5 EGBERN Nc1nc(NCCn2c3ccccc3c3ccccc32)ncc1[N+](=O)[O-] ZINC001162893011 1382907542 /nfs/dbraw/zinc/90/75/42/1382907542.db2.gz XBBAJFHKZWXIOZ-UHFFFAOYSA-N 0 0 348.366 3.187 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC001163274089 1383010835 /nfs/dbraw/zinc/01/08/35/1383010835.db2.gz ZIFYTTYWXJXJLQ-OAHLLOKOSA-N 0 0 336.342 3.395 10 5 EGBERN O=c1[nH]ccc(NCc2c(Cl)cccc2-n2ccnc2)c1[N+](=O)[O-] ZINC001163373959 1383035674 /nfs/dbraw/zinc/03/56/74/1383035674.db2.gz ZGMXUJBQCJSURI-UHFFFAOYSA-N 0 0 345.746 3.147 10 5 EGBERN Cc1nc(N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)ncc1[N+](=O)[O-] ZINC001163436533 1383051599 /nfs/dbraw/zinc/05/15/99/1383051599.db2.gz BWLDLSQODFBJLX-HOTGVXAUSA-N 0 0 342.399 3.376 10 5 EGBERN Cc1cc(N2CCNC(=O)[C@@H]2CC2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001163522687 1383071724 /nfs/dbraw/zinc/07/17/24/1383071724.db2.gz FAEPCCIRYYMZFO-KRWDZBQOSA-N 0 0 349.406 3.318 10 5 EGBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)c1c(Cl)cccc1Cl ZINC001163567752 1383081417 /nfs/dbraw/zinc/08/14/17/1383081417.db2.gz UPNDUYLMQJNUFJ-UHFFFAOYSA-N 0 0 343.122 3.107 10 5 EGBERN COc1cncc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])c1 ZINC001163720791 1383113933 /nfs/dbraw/zinc/11/39/33/1383113933.db2.gz CDCGTUBOHIAURY-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001164098702 1383156177 /nfs/dbraw/zinc/15/61/77/1383156177.db2.gz CTENZIMGAIAPIQ-SNVBAGLBSA-N 0 0 342.783 3.065 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001164170340 1383162355 /nfs/dbraw/zinc/16/23/55/1383162355.db2.gz MPNRLIOTROHFIE-BDAKNGLRSA-N 0 0 332.278 3.367 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2c(C)cccc2C)c1[N+](=O)[O-] ZINC001164249870 1383171387 /nfs/dbraw/zinc/17/13/87/1383171387.db2.gz QYZCVHHLWPIKGR-UHFFFAOYSA-N 0 0 343.383 3.338 10 5 EGBERN CCc1noc([C@@H]2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164284337 1383174417 /nfs/dbraw/zinc/17/44/17/1383174417.db2.gz YVYROKLQYXPOPL-NXEZZACHSA-N 0 0 347.331 3.197 10 5 EGBERN CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]2CCC[C@@H]21 ZINC001164294823 1383175344 /nfs/dbraw/zinc/17/53/44/1383175344.db2.gz PJSQKGIZQBPBOR-GXTWGEPZSA-N 0 0 329.400 3.494 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1ccc(CCO)cc1)CCCC2 ZINC001164317982 1383177377 /nfs/dbraw/zinc/17/73/77/1383177377.db2.gz JXWNPWNJPZIWGV-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC[C@@H]1CCCC1(F)F ZINC001165616100 1383315557 /nfs/dbraw/zinc/31/55/57/1383315557.db2.gz ZGCGZXFRVXXRNB-NSHDSACASA-N 0 0 339.298 3.237 10 5 EGBERN Cc1ccc(CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)cc1[N+](=O)[O-] ZINC001165868924 1383353488 /nfs/dbraw/zinc/35/34/88/1383353488.db2.gz HEVFGILSJSQWHI-KSPBDQMDSA-N 0 0 345.399 3.150 10 5 EGBERN O=[N+]([O-])c1cn(Cc2cccnc2Cl)nc1-c1ccc(F)cn1 ZINC001166239301 1383406211 /nfs/dbraw/zinc/40/62/11/1383406211.db2.gz AIORBAJVLCMSFB-UHFFFAOYSA-N 0 0 333.710 3.089 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001299750817 1383626126 /nfs/dbraw/zinc/62/61/26/1383626126.db2.gz RNNRYVMWRZWYFS-WMLDXEAASA-N 0 0 332.306 3.409 10 5 EGBERN CCn1nnc(C)c1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC001299932431 1383635331 /nfs/dbraw/zinc/63/53/31/1383635331.db2.gz VMNBRFQRMZOCEP-UHFFFAOYSA-N 0 0 345.406 3.238 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC2CCC1CC2 ZINC001300206596 1383652380 /nfs/dbraw/zinc/65/23/80/1383652380.db2.gz LUVWORGPFJZBGQ-YYJSSNLHSA-N 0 0 335.379 3.261 10 5 EGBERN C[C@@]1(C2CCCCC2)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001302916324 1383772825 /nfs/dbraw/zinc/77/28/25/1383772825.db2.gz LHRRHOFWDBMGOS-WMZOPIPTSA-N 0 0 332.400 3.200 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cncc(F)c1Cl ZINC001306840443 1383909346 /nfs/dbraw/zinc/90/93/46/1383909346.db2.gz BPYNUWJHAUWFOT-UHFFFAOYSA-N 0 0 337.738 3.097 10 5 EGBERN COC(=O)Cc1ccc(Nc2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC001306953617 1383925762 /nfs/dbraw/zinc/92/57/62/1383925762.db2.gz QGTMKDOVTBSSQF-UHFFFAOYSA-N 0 0 342.351 3.379 10 5 EGBERN CC(C)Oc1nc(N[C@@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001306959839 1383926465 /nfs/dbraw/zinc/92/64/65/1383926465.db2.gz KLTRRRGNRYRQTO-ZFWWWQNUSA-N 0 0 345.399 3.354 10 5 EGBERN CC(C)(C)C[C@H](O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001306968223 1383927198 /nfs/dbraw/zinc/92/71/98/1383927198.db2.gz AHLHGSIRWBOQNN-JTQLQIEISA-N 0 0 337.807 3.427 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@H](CO)c2ccc(F)cc2)c(F)c1 ZINC001307143013 1383944913 /nfs/dbraw/zinc/94/49/13/1383944913.db2.gz VOSJYHVXJMINIL-SNVBAGLBSA-N 0 0 326.274 3.200 10 5 EGBERN Cc1nc(N[C@@H](Cc2ccccc2)c2ncco2)ncc1[N+](=O)[O-] ZINC001307151556 1383945998 /nfs/dbraw/zinc/94/59/98/1383945998.db2.gz ONSPBVXXRVIIBM-ZDUSSCGKSA-N 0 0 325.328 3.077 10 5 EGBERN Cc1nc(N[C@H](Cc2ccccc2)c2ncco2)ncc1[N+](=O)[O-] ZINC001307151555 1383946469 /nfs/dbraw/zinc/94/64/69/1383946469.db2.gz ONSPBVXXRVIIBM-CYBMUJFWSA-N 0 0 325.328 3.077 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CCC[C@H](C(F)(F)F)O3)nc2c1 ZINC001307203749 1383956239 /nfs/dbraw/zinc/95/62/39/1383956239.db2.gz IUFORHGYSDDSLE-BXKDBHETSA-N 0 0 344.293 3.383 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cscc1Cl ZINC001307211279 1383958024 /nfs/dbraw/zinc/95/80/24/1383958024.db2.gz WHLUANLBHCULSG-UHFFFAOYSA-N 0 0 346.817 3.325 10 5 EGBERN O=C1Nc2ccc(F)cc2C2(CN(c3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001307226836 1383961351 /nfs/dbraw/zinc/96/13/51/1383961351.db2.gz GQRSARNAJBEAQP-UHFFFAOYSA-N 0 0 347.277 3.151 10 5 EGBERN CCOc1ccccc1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001307267108 1383965109 /nfs/dbraw/zinc/96/51/09/1383965109.db2.gz XCKUVUSNPCSADJ-UHFFFAOYSA-N 0 0 335.381 3.276 10 5 EGBERN Cc1cc(Cl)ccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001307296154 1383968309 /nfs/dbraw/zinc/96/83/09/1383968309.db2.gz SLLJIVSHYQNRIL-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN CCOCCOC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001307414542 1383986046 /nfs/dbraw/zinc/98/60/46/1383986046.db2.gz CNCHCJNYHBEFTE-UHFFFAOYSA-N 0 0 342.823 3.266 10 5 EGBERN C/C=C/C[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975169 1384067348 /nfs/dbraw/zinc/06/73/48/1384067348.db2.gz VCHBTFUJRMYVMX-RDFMZFSFSA-N 0 0 347.415 3.220 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997785 1384071204 /nfs/dbraw/zinc/07/12/04/1384071204.db2.gz WBTZYOYLYKEVBP-GXFFZTMASA-N 0 0 343.221 3.357 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001308165830 1384104333 /nfs/dbraw/zinc/10/43/33/1384104333.db2.gz DGFNAQPOFXBKKB-GHMZBOCLSA-N 0 0 343.221 3.357 10 5 EGBERN C[C@@H]1CC(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001312982962 1384384550 /nfs/dbraw/zinc/38/45/50/1384384550.db2.gz GYLCQYKHEPSAMA-KBPBESRZSA-N 0 0 348.447 3.378 10 5 EGBERN C[C@](CO)(NC(=O)CC1(C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001171454301 1384527881 /nfs/dbraw/zinc/52/78/81/1384527881.db2.gz XYLJNBBAAYUJKO-GOSISDBHSA-N 0 0 334.416 3.279 10 5 EGBERN Cc1c(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001171752203 1384625769 /nfs/dbraw/zinc/62/57/69/1384625769.db2.gz TZEFIGOEZYYIGL-BETUJISGSA-N 0 0 345.355 3.158 10 5 EGBERN COC(=O)[C@@]1(NCc2cc(F)ccc2[N+](=O)[O-])CCCC(C)(C)C1 ZINC001174680282 1385133359 /nfs/dbraw/zinc/13/33/59/1385133359.db2.gz FBWCCFATJHRSRN-QGZVFWFLSA-N 0 0 338.379 3.336 10 5 EGBERN CC1(C)CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001175332190 1385255318 /nfs/dbraw/zinc/25/53/18/1385255318.db2.gz XXVNRJJTXWAOQU-KBPBESRZSA-N 0 0 342.399 3.410 10 5 EGBERN O=C(NCc1cccc2[nH]ccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001175415262 1385279833 /nfs/dbraw/zinc/27/98/33/1385279833.db2.gz GMZMKXQXPBUIPU-UHFFFAOYSA-N 0 0 334.335 3.487 10 5 EGBERN CCCN(CCNC(=O)c1coc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001317542205 1385282573 /nfs/dbraw/zinc/28/25/73/1385282573.db2.gz OURUOLGWKLXGOK-UHFFFAOYSA-N 0 0 345.399 3.138 10 5 EGBERN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC001176030198 1385465848 /nfs/dbraw/zinc/46/58/48/1385465848.db2.gz ZORBCUDSXWFFJB-NEPJUHHUSA-N 0 0 338.367 3.393 10 5 EGBERN O=C(CN1CCCCC[C@@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001176113243 1385487741 /nfs/dbraw/zinc/48/77/41/1385487741.db2.gz IIYRLCSGAOTPEO-CYBMUJFWSA-N 0 0 345.321 3.340 10 5 EGBERN C[C@@H](CNC(=O)c1c[nH]nc1-c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001179398489 1386474384 /nfs/dbraw/zinc/47/43/84/1386474384.db2.gz INJITYXWXGVAPB-NSHDSACASA-N 0 0 340.339 3.111 10 5 EGBERN COc1c(C(=O)Nc2cc(F)c(O)cc2Cl)cccc1[N+](=O)[O-] ZINC001179659935 1386543142 /nfs/dbraw/zinc/54/31/42/1386543142.db2.gz JGISWBPTBLMCPN-UHFFFAOYSA-N 0 0 340.694 3.354 10 5 EGBERN Cc1cccnc1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC001180183992 1386724276 /nfs/dbraw/zinc/72/42/76/1386724276.db2.gz JEKFSAJMPHMKRA-INIZCTEOSA-N 0 0 342.399 3.398 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2cc[nH]c2c1 ZINC001321002136 1386780572 /nfs/dbraw/zinc/78/05/72/1386780572.db2.gz RAGAOBZQIDAWIC-UHFFFAOYSA-N 0 0 335.323 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)C3O)c(C(F)(F)F)c1 ZINC001322254005 1387122858 /nfs/dbraw/zinc/12/28/58/1387122858.db2.gz AKEOJZAHFALHRJ-XFLKPENQSA-N 0 0 330.306 3.211 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001322647767 1387218282 /nfs/dbraw/zinc/21/82/82/1387218282.db2.gz JXRFQGFXGYRIBR-CHWSQXEVSA-N 0 0 333.388 3.101 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-c4ncon4)cc3)o2)c1 ZINC001322708557 1387228443 /nfs/dbraw/zinc/22/84/43/1387228443.db2.gz HUNTVIRHNIVUNM-UHFFFAOYSA-N 0 0 335.279 3.362 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC001329281551 1389049104 /nfs/dbraw/zinc/04/91/04/1389049104.db2.gz ZWDVOIWFBATYEF-UHFFFAOYSA-N 0 0 345.321 3.489 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2C[C@@H](C)OCC[C@H]2C)cc1[N+](=O)[O-] ZINC001336337931 1389072514 /nfs/dbraw/zinc/07/25/14/1389072514.db2.gz RKKYCBWDEHWISB-GHMZBOCLSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001330634048 1389477781 /nfs/dbraw/zinc/47/77/81/1389477781.db2.gz XOUZRZIABUSXMM-QZTJIDSGSA-N 0 0 340.379 3.241 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001331182489 1389645562 /nfs/dbraw/zinc/64/55/62/1389645562.db2.gz HFZQHBMJCXDKHO-IEBDPFPHSA-N 0 0 326.299 3.223 10 5 EGBERN CC(C)(NC(=O)c1cccc2c1COCC2)c1ccccc1[N+](=O)[O-] ZINC001331202775 1389653057 /nfs/dbraw/zinc/65/30/57/1389653057.db2.gz YUANGVXCWHGOAH-UHFFFAOYSA-N 0 0 340.379 3.333 10 5 EGBERN Nc1c(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc(F)cc1[N+](=O)[O-] ZINC001332316315 1390084595 /nfs/dbraw/zinc/08/45/95/1390084595.db2.gz HOADBRFTKWSWCY-BONVTDFDSA-N 0 0 341.342 3.391 10 5 EGBERN O=C([C@H]1CCOC2(CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333254582 1390271914 /nfs/dbraw/zinc/27/19/14/1390271914.db2.gz XBXBFMXUQYNPGO-HNNXBMFYSA-N 0 0 344.411 3.219 10 5 EGBERN CSc1cccc(C(=O)O[C@H]2CCCc3nccnc32)c1[N+](=O)[O-] ZINC001343930479 1390744923 /nfs/dbraw/zinc/74/49/23/1390744923.db2.gz TVFPXCNQEREWOS-LBPRGKRZSA-N 0 0 345.380 3.341 10 5 EGBERN O=C(OCc1cnccc1Cl)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999446 1390749212 /nfs/dbraw/zinc/74/92/12/1390749212.db2.gz WZTQAPKTVRWJSM-KGLIPLIRSA-N 0 0 332.743 3.490 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@@]12CCC[C@@H]1OCC2 ZINC001344315244 1390781539 /nfs/dbraw/zinc/78/15/39/1390781539.db2.gz NGDQFCHLPRLVSS-WMZOPIPTSA-N 0 0 344.367 3.121 10 5 EGBERN CCOc1ccc(C(=O)O[C@H]2CCOC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001344345132 1390785197 /nfs/dbraw/zinc/78/51/97/1390785197.db2.gz ZKEPBERYZVUKKQ-HIFRSBDPSA-N 0 0 337.372 3.211 10 5 EGBERN CCOc1ccc(C(=O)O[C@H]2CCOC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001344345134 1390785231 /nfs/dbraw/zinc/78/52/31/1390785231.db2.gz ZKEPBERYZVUKKQ-ZFWWWQNUSA-N 0 0 337.372 3.211 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1([C@H]2CCCO2)CCC1 ZINC001344685575 1390808377 /nfs/dbraw/zinc/80/83/77/1390808377.db2.gz MABFXXRUGFHJBE-OAHLLOKOSA-N 0 0 333.388 3.435 10 5 EGBERN CO[C@]12CCC[C@]1(COC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC001344837741 1390818115 /nfs/dbraw/zinc/81/81/15/1390818115.db2.gz DRAFFOZSFXXPFD-MSOLQXFVSA-N 0 0 349.383 3.302 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCc2nccnc21 ZINC001345130110 1390839768 /nfs/dbraw/zinc/83/97/68/1390839768.db2.gz VSKSQBYLWHMLMQ-CQSZACIVSA-N 0 0 345.380 3.098 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001345689619 1390876654 /nfs/dbraw/zinc/87/66/54/1390876654.db2.gz KLUOIKVZUSIAFW-OAHLLOKOSA-N 0 0 344.367 3.278 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001345744649 1390882649 /nfs/dbraw/zinc/88/26/49/1390882649.db2.gz AXLKZPDXUGJSLK-UWVGGRQHSA-N 0 0 325.390 3.009 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001346129353 1390909733 /nfs/dbraw/zinc/90/97/33/1390909733.db2.gz PKMKOAONJNHEOC-CZUORRHYSA-N 0 0 336.388 3.001 10 5 EGBERN COc1cc(C(=O)OC2CCCC(=O)CCC2)c([N+](=O)[O-])cc1F ZINC001346196959 1390914545 /nfs/dbraw/zinc/91/45/45/1390914545.db2.gz IVXYOHIAISFLKQ-UHFFFAOYSA-N 0 0 339.319 3.191 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC001346198071 1390914623 /nfs/dbraw/zinc/91/46/23/1390914623.db2.gz RCOUQSHDRCHXIC-GFCCVEGCSA-N 0 0 348.380 3.213 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001347371315 1391062858 /nfs/dbraw/zinc/06/28/58/1391062858.db2.gz SHOJMSWNPOTSGK-ZBFHGGJFSA-N 0 0 332.356 3.294 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC001347429849 1391074002 /nfs/dbraw/zinc/07/40/02/1391074002.db2.gz HOWVAWKGQRKDOZ-MRXNPFEDSA-N 0 0 329.352 3.401 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001347533711 1391088787 /nfs/dbraw/zinc/08/87/87/1391088787.db2.gz CDJYKTMAXGWOFN-GDBMZVCRSA-N 0 0 349.387 3.169 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@H]2CCCO2)CCC1 ZINC001347632064 1391102844 /nfs/dbraw/zinc/10/28/44/1391102844.db2.gz SULPJFRATRTGOR-NVXWUHKLSA-N 0 0 346.427 3.381 10 5 EGBERN COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001347853768 1391135419 /nfs/dbraw/zinc/13/54/19/1391135419.db2.gz KBIYDDPFMNBUQB-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc1 ZINC001347983318 1391154431 /nfs/dbraw/zinc/15/44/31/1391154431.db2.gz HXHURUHTEZXFKJ-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC001347992813 1391156141 /nfs/dbraw/zinc/15/61/41/1391156141.db2.gz JBZBJNOTTBYOMT-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348243758 1391191038 /nfs/dbraw/zinc/19/10/38/1391191038.db2.gz GMUYBEQVFHJEAH-CQSZACIVSA-N 0 0 340.379 3.351 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001348406718 1391215023 /nfs/dbraw/zinc/21/50/23/1391215023.db2.gz ZVVIQBTXGYZQGV-DLBZAZTESA-N 0 0 339.351 3.295 10 5 EGBERN C[C@@]1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001348438586 1391219416 /nfs/dbraw/zinc/21/94/16/1391219416.db2.gz MTVAFVDQVMBHJL-QGZVFWFLSA-N 0 0 330.315 3.413 10 5 EGBERN CN(C)c1nc(Cl)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC001348438350 1391219446 /nfs/dbraw/zinc/21/94/46/1391219446.db2.gz KJKVSXRZNYKGFU-UHFFFAOYSA-N 0 0 344.755 3.162 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001348437778 1391219481 /nfs/dbraw/zinc/21/94/81/1391219481.db2.gz AACUPVRQTFYOFQ-HNNXBMFYSA-N 0 0 334.303 3.069 10 5 EGBERN Cc1oc(Br)cc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001349293578 1391317980 /nfs/dbraw/zinc/31/79/80/1391317980.db2.gz JRPKQQMULRAAAE-UHFFFAOYSA-N 0 0 326.102 3.478 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001349779960 1391366526 /nfs/dbraw/zinc/36/65/26/1391366526.db2.gz UPICGSXGVVYYTP-INIZCTEOSA-N 0 0 343.383 3.155 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2cnccc21 ZINC001350173247 1391424583 /nfs/dbraw/zinc/42/45/83/1391424583.db2.gz ZKCCMTIQQJFXNQ-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN CC1=NO[C@](C)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001350393143 1391457825 /nfs/dbraw/zinc/45/78/25/1391457825.db2.gz ZCMUPIUZRBCZNQ-HNNXBMFYSA-N 0 0 346.368 3.212 10 5 EGBERN Cc1c(NC(=O)c2cn(C)nc2-c2ccco2)cccc1[N+](=O)[O-] ZINC001350396308 1391458427 /nfs/dbraw/zinc/45/84/27/1391458427.db2.gz IZWSFFSHJYBTDG-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1F ZINC001351110028 1391598415 /nfs/dbraw/zinc/59/84/15/1391598415.db2.gz UCKREQZPKGXJPH-UHFFFAOYSA-N 0 0 340.257 3.265 10 5 EGBERN O=C(Oc1ccc(Cl)cc1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001351182274 1391607958 /nfs/dbraw/zinc/60/79/58/1391607958.db2.gz LFGRVWGTOIKCAZ-UHFFFAOYSA-N 0 0 344.714 3.048 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1coc(=O)c2ccccc12 ZINC001351328490 1391627475 /nfs/dbraw/zinc/62/74/75/1391627475.db2.gz OJDTYDMEFPTCDH-UHFFFAOYSA-N 0 0 328.255 3.093 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001351367903 1391632571 /nfs/dbraw/zinc/63/25/71/1391632571.db2.gz NTGUEHOAEKHHDT-LLVKDONJSA-N 0 0 348.330 3.286 10 5 EGBERN CCSc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001351379685 1391634198 /nfs/dbraw/zinc/63/41/98/1391634198.db2.gz JUTQZJADIMBQKA-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)n1 ZINC001351446114 1391640097 /nfs/dbraw/zinc/64/00/97/1391640097.db2.gz JSVCVJPZAHMWLN-QMMMGPOBSA-N 0 0 344.298 3.346 10 5 EGBERN O=C(Nc1cccc(F)c1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001351641474 1391662667 /nfs/dbraw/zinc/66/26/67/1391662667.db2.gz ZQTXRIPQROPXOF-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)n2ccccc2=NC2CCCCC2)n1 ZINC001351647048 1391663449 /nfs/dbraw/zinc/66/34/49/1391663449.db2.gz WALXNQRDKDQRQU-UHFFFAOYSA-N 0 0 340.383 3.022 10 5 EGBERN O=C(/C=C/COc1ccccc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351887421 1391710677 /nfs/dbraw/zinc/71/06/77/1391710677.db2.gz KDJQBNFNTJXWHF-QPJJXVBHSA-N 0 0 334.278 3.447 10 5 EGBERN CC(C)(C)c1ccc(OCCNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001351965689 1391727471 /nfs/dbraw/zinc/72/74/71/1391727471.db2.gz RHKRUKVOUWHOFH-UHFFFAOYSA-N 0 0 336.432 3.315 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCCCc2ccccc2)n1 ZINC001352511866 1391806808 /nfs/dbraw/zinc/80/68/08/1391806808.db2.gz PFQRZBYISUUHDW-UHFFFAOYSA-N 0 0 327.384 3.441 10 5 EGBERN COc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC001352701985 1391834314 /nfs/dbraw/zinc/83/43/14/1391834314.db2.gz BZCKCNSOEMNIDX-AWEZNQCLSA-N 0 0 326.352 3.347 10 5 EGBERN Cc1c2ccccc2c(=O)oc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001352764538 1391844923 /nfs/dbraw/zinc/84/49/23/1391844923.db2.gz UKLIYFBHNHRJGT-UHFFFAOYSA-N 0 0 339.303 3.367 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC001352895009 1391873639 /nfs/dbraw/zinc/87/36/39/1391873639.db2.gz DIKRDQUZYIFVFQ-MRXNPFEDSA-N 0 0 326.308 3.002 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(F)(F)C(F)(F)F ZINC001353137453 1391942236 /nfs/dbraw/zinc/94/22/36/1391942236.db2.gz VYHRMNMRADJGNQ-UHFFFAOYSA-N 0 0 326.221 3.173 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001353919768 1392108285 /nfs/dbraw/zinc/10/82/85/1392108285.db2.gz GHHGYLUMKRQAJP-KRWDZBQOSA-N 0 0 339.351 3.059 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353960735 1392110007 /nfs/dbraw/zinc/11/00/07/1392110007.db2.gz ZOOBDUHTSDLTDI-DYVFJYSZSA-N 0 0 345.399 3.269 10 5 EGBERN CC(C)(CCC(=O)Nc1c2ccccc2nc2c1CCCC2)[N+](=O)[O-] ZINC001354062233 1392118617 /nfs/dbraw/zinc/11/86/17/1392118617.db2.gz IKSRCPBBPOPBDK-UHFFFAOYSA-N 0 0 341.411 3.310 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)ncc1F ZINC001354575343 1392153666 /nfs/dbraw/zinc/15/36/66/1392153666.db2.gz GBLCGHFXOGXNEH-UHFFFAOYSA-N 0 0 331.637 3.313 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2nncc3ccccc32)cc1[N+](=O)[O-] ZINC001354628660 1392156999 /nfs/dbraw/zinc/15/69/99/1392156999.db2.gz PUXJZJGPEACVGN-GFCCVEGCSA-N 0 0 336.351 3.337 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001355160932 1392196654 /nfs/dbraw/zinc/19/66/54/1392196654.db2.gz FEROJRHAJCJSJM-CZUORRHYSA-N 0 0 338.791 3.279 10 5 EGBERN CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC001691805985 1405518954 /nfs/dbraw/zinc/51/89/54/1405518954.db2.gz WHVNTNCDUKNNAO-OKILXGFUSA-N 0 0 337.445 3.022 10 5 EGBERN C[C@@H]1C[C@@H]1n1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001693584750 1406027237 /nfs/dbraw/zinc/02/72/37/1406027237.db2.gz HNRZKNOYAHLMCR-WBMJQRKESA-N 0 0 341.415 3.324 10 5 EGBERN Cc1cc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001713475942 1418157213 /nfs/dbraw/zinc/15/72/13/1418157213.db2.gz KJKMDRYGASNAOV-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CC(C)CC(C)(C)C(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716752516 1420904164 /nfs/dbraw/zinc/90/41/64/1420904164.db2.gz WJWPKKRIOICCIF-UHFFFAOYSA-N 0 0 347.459 3.310 10 5 EGBERN CN(CCCNC(=O)/C=C/C(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001731232478 1427192073 /nfs/dbraw/zinc/19/20/73/1427192073.db2.gz GOFYRWFYTDSBMD-VOTSOKGWSA-N 0 0 339.461 3.197 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1 ZINC001764377344 1441389339 /nfs/dbraw/zinc/38/93/39/1441389339.db2.gz ASFCOEGATRAULO-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(N3CCC(F)(F)CC3)n2C2CC2)c1 ZINC001771580247 1441415459 /nfs/dbraw/zinc/41/54/59/1441415459.db2.gz MASJMNQDSOWXEY-UHFFFAOYSA-N 0 0 349.341 3.424 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000370567572 168513413 /nfs/dbraw/zinc/51/34/13/168513413.db2.gz HBYYEHPCWHRBTP-QGZVFWFLSA-N 0 0 347.802 3.174 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000372154176 168704830 /nfs/dbraw/zinc/70/48/30/168704830.db2.gz DBCDAHJHAWTQTQ-LBPRGKRZSA-N 0 0 329.356 3.354 10 5 EGBERN CCn1cc(C2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cn1 ZINC000185310838 235637700 /nfs/dbraw/zinc/63/77/00/235637700.db2.gz SFPJNQLUGYQEOL-UHFFFAOYSA-N 0 0 330.388 3.204 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2ccc(F)cc2c1O ZINC000032606272 202228885 /nfs/dbraw/zinc/22/88/85/202228885.db2.gz CQCVJWDIGFAUBP-UHFFFAOYSA-N 0 0 341.298 3.136 10 5 EGBERN CC[C@@H]1CCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037914849 202376022 /nfs/dbraw/zinc/37/60/22/202376022.db2.gz KTRBLANKLRHTKP-SNVBAGLBSA-N 0 0 327.178 3.372 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000191348346 239057262 /nfs/dbraw/zinc/05/72/62/239057262.db2.gz WIVCRXQZPZPWHZ-ZDUSSCGKSA-N 0 0 344.375 3.089 10 5 EGBERN CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc(C)n(C2CC2)c1=S ZINC000054477049 202670164 /nfs/dbraw/zinc/67/01/64/202670164.db2.gz IDOUXDQMHYSTOV-UHFFFAOYSA-N 0 0 347.444 3.445 10 5 EGBERN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112181 299346087 /nfs/dbraw/zinc/34/60/87/299346087.db2.gz HBWGKCLEVQBMQK-STQMWFEESA-N 0 0 329.404 3.325 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000180923883 241568646 /nfs/dbraw/zinc/56/86/46/241568646.db2.gz PLUMLLIWUZAAON-GUOLPTJISA-N 0 0 346.412 3.478 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000368184012 283965316 /nfs/dbraw/zinc/96/53/16/283965316.db2.gz KAYQGCWVDBWXHN-MRXNPFEDSA-N 0 0 329.400 3.111 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(CO)ccc1Cl ZINC000068923536 202975885 /nfs/dbraw/zinc/97/58/85/202975885.db2.gz XGUCKXPTVKTZKJ-UHFFFAOYSA-N 0 0 349.774 3.100 10 5 EGBERN CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000067992640 202953137 /nfs/dbraw/zinc/95/31/37/202953137.db2.gz MKVNYYILMQWAPQ-UHFFFAOYSA-N 0 0 328.221 3.428 10 5 EGBERN CSCc1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C ZINC000071909682 203147310 /nfs/dbraw/zinc/14/73/10/203147310.db2.gz ZSDOUDBNOILELM-UHFFFAOYSA-N 0 0 348.428 3.218 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000076063710 203334663 /nfs/dbraw/zinc/33/46/63/203334663.db2.gz MOTSPQWRZBEVBY-JTQLQIEISA-N 0 0 338.360 3.311 10 5 EGBERN O=C(N[C@H]1CCOc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195137911 284216386 /nfs/dbraw/zinc/21/63/86/284216386.db2.gz CRYATMBWERGZCU-INIZCTEOSA-N 0 0 337.335 3.330 10 5 EGBERN Nc1c(NC(=O)c2sccc2Br)cccc1[N+](=O)[O-] ZINC000096012013 203797193 /nfs/dbraw/zinc/79/71/93/203797193.db2.gz DIKMKWJDPSGHGA-UHFFFAOYSA-N 0 0 342.174 3.253 10 5 EGBERN COc1cc(N2CCO[C@@H](c3ccc(C)o3)C2)c(F)cc1[N+](=O)[O-] ZINC000095982733 203784740 /nfs/dbraw/zinc/78/47/40/203784740.db2.gz UYPDOFSWNRHCFN-MRXNPFEDSA-N 0 0 336.319 3.222 10 5 EGBERN CCOCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097162501 203930222 /nfs/dbraw/zinc/93/02/22/203930222.db2.gz UCJPEHRPDWFHIO-UHFFFAOYSA-N 0 0 326.780 3.137 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1Oc1ccccc1CO ZINC000104333694 204106400 /nfs/dbraw/zinc/10/64/00/204106400.db2.gz MWIRVKUEQPYYBY-UHFFFAOYSA-N 0 0 325.118 3.037 10 5 EGBERN Cc1ncc(CN2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090721 204185133 /nfs/dbraw/zinc/18/51/33/204185133.db2.gz VPGFHSMQWKRJJJ-ZDUSSCGKSA-N 0 0 346.456 3.239 10 5 EGBERN CCOC(=O)c1cn(Cc2ccccc2[N+](=O)[O-])nc1C(F)(F)F ZINC000117554388 204571670 /nfs/dbraw/zinc/57/16/70/204571670.db2.gz DQBOCCQRLXQCOU-UHFFFAOYSA-N 0 0 343.261 3.035 10 5 EGBERN CC[C@@H](NC(=O)Cc1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000124660827 204972511 /nfs/dbraw/zinc/97/25/11/204972511.db2.gz DDPIKIUFLHUOMM-CQSZACIVSA-N 0 0 333.413 3.478 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185321366 284360012 /nfs/dbraw/zinc/36/00/12/284360012.db2.gz JMAQGZMVSFZPBJ-AWEZNQCLSA-N 0 0 348.742 3.316 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000132475706 205327596 /nfs/dbraw/zinc/32/75/96/205327596.db2.gz LLJFHELDVXSTMW-ZIAGYGMSSA-N 0 0 338.429 3.384 10 5 EGBERN C[C@@](CO)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000152874596 205794211 /nfs/dbraw/zinc/79/42/11/205794211.db2.gz PEOBDDCCHNYJJP-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000161861140 206373587 /nfs/dbraw/zinc/37/35/87/206373587.db2.gz HNSNUCXIRICSNC-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000378265952 169093566 /nfs/dbraw/zinc/09/35/66/169093566.db2.gz WHBTZGSKNKBINP-UHFFFAOYSA-N 0 0 345.786 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2C)C1 ZINC000378605338 169145841 /nfs/dbraw/zinc/14/58/41/169145841.db2.gz GOCXRIJPQDQHBS-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000173565670 206938380 /nfs/dbraw/zinc/93/83/80/206938380.db2.gz QVJDLCALXFQYAL-ZWNOBZJWSA-N 0 0 346.387 3.152 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000174237001 207000335 /nfs/dbraw/zinc/00/03/35/207000335.db2.gz GWDNWJJOHCLRLX-OAHLLOKOSA-N 0 0 328.372 3.248 10 5 EGBERN CC[C@H](NC(=O)CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000267278833 250899699 /nfs/dbraw/zinc/89/96/99/250899699.db2.gz KEJAUBDKIYPZSG-AWEZNQCLSA-N 0 0 336.779 3.102 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840608 207063916 /nfs/dbraw/zinc/06/39/16/207063916.db2.gz JUBPJKPKEFFBFR-CQSZACIVSA-N 0 0 339.823 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000175325716 207116341 /nfs/dbraw/zinc/11/63/41/207116341.db2.gz PSDCGANQKCEBNG-KRWDZBQOSA-N 0 0 327.384 3.468 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000176146662 207194973 /nfs/dbraw/zinc/19/49/73/207194973.db2.gz QYFJDBYLTRKWLM-NEPJUHHUSA-N 0 0 336.413 3.329 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000268501648 251972171 /nfs/dbraw/zinc/97/21/71/251972171.db2.gz SMYPVYSUBWVQMN-FUEXJSSKSA-N 0 0 334.372 3.008 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177803541 207398703 /nfs/dbraw/zinc/39/87/03/207398703.db2.gz BJHRBNJYANCUBU-QGZVFWFLSA-N 0 0 328.368 3.413 10 5 EGBERN O=C1[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000349241802 284987655 /nfs/dbraw/zinc/98/76/55/284987655.db2.gz IMAUJZPVOJNXEO-CJNGLKHVSA-N 0 0 343.383 3.332 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000268861765 252309526 /nfs/dbraw/zinc/30/95/26/252309526.db2.gz RPODZNLKJAEALX-ACJLOTCBSA-N 0 0 344.367 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268407237 285127533 /nfs/dbraw/zinc/12/75/33/285127533.db2.gz RXBZXXQZGLTQPB-ZDUSSCGKSA-N 0 0 335.341 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000360458135 291993654 /nfs/dbraw/zinc/99/36/54/291993654.db2.gz GAHHJLPFZCOHJT-HZPDHXFCSA-N 0 0 346.408 3.046 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)CC1CCCC1 ZINC000337872352 141069261 /nfs/dbraw/zinc/06/92/61/141069261.db2.gz RYRJPNSFLVFTID-NSHDSACASA-N 0 0 341.795 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc2ccccc2s1 ZINC000338027194 141076773 /nfs/dbraw/zinc/07/67/73/141076773.db2.gz JWCSSSWTUKFQBR-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000338040336 141079317 /nfs/dbraw/zinc/07/93/17/141079317.db2.gz VSZVVSMUEBXUDR-UHFFFAOYSA-N 0 0 339.351 3.282 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000338097753 141093494 /nfs/dbraw/zinc/09/34/94/141093494.db2.gz XFNBPVUTMYHJPC-SNVBAGLBSA-N 0 0 331.347 3.370 10 5 EGBERN Cc1ccncc1N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000341253785 141144137 /nfs/dbraw/zinc/14/41/37/141144137.db2.gz MKWSJPRKOXOJIH-HNNXBMFYSA-N 0 0 326.400 3.181 10 5 EGBERN O=C(Cc1cccc(C(F)F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000344546550 141171282 /nfs/dbraw/zinc/17/12/82/141171282.db2.gz ZHVWLUCIMBTBJH-UHFFFAOYSA-N 0 0 347.321 3.055 10 5 EGBERN Cc1c(Cc2noc(-c3ccnc4ccncc43)n2)cccc1[N+](=O)[O-] ZINC000346872951 141209035 /nfs/dbraw/zinc/20/90/35/141209035.db2.gz SPGWOSVFXZMQED-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000347942896 141222667 /nfs/dbraw/zinc/22/26/67/141222667.db2.gz VNQIPACZVASTPN-QMTHXVAHSA-N 0 0 338.791 3.196 10 5 EGBERN CC(C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000348060781 141236951 /nfs/dbraw/zinc/23/69/51/141236951.db2.gz RVGLROQSTVLCGC-CQSZACIVSA-N 0 0 347.337 3.490 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000350767989 141265705 /nfs/dbraw/zinc/26/57/05/141265705.db2.gz RRPPUTOMTXDYTI-UHFFFAOYSA-N 0 0 349.261 3.125 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1CCO ZINC000356858901 141356842 /nfs/dbraw/zinc/35/68/42/141356842.db2.gz MFNNAWSASSWAOU-ZDUSSCGKSA-N 0 0 326.780 3.015 10 5 EGBERN Cc1c(Br)c(NC[C@@H]2CCCC[C@@H]2O)ncc1[N+](=O)[O-] ZINC000165777438 143988596 /nfs/dbraw/zinc/98/85/96/143988596.db2.gz LHIRWJWPPQJRBK-ONGXEEELSA-N 0 0 344.209 3.024 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000171646599 144008794 /nfs/dbraw/zinc/00/87/94/144008794.db2.gz XRUIVCHNDPOETD-ZDUSSCGKSA-N 0 0 331.397 3.000 10 5 EGBERN CSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000186167158 144126561 /nfs/dbraw/zinc/12/65/61/144126561.db2.gz LZPOGZPUDJXQBU-CHWSQXEVSA-N 0 0 336.413 3.100 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC(C)C ZINC000186670424 144140520 /nfs/dbraw/zinc/14/05/20/144140520.db2.gz SLJAJKHHNYFHMB-UHFFFAOYSA-N 0 0 345.355 3.346 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccccc3)c2)n1 ZINC000344620685 144200470 /nfs/dbraw/zinc/20/04/70/144200470.db2.gz PPCGTEGPMQHMDD-UHFFFAOYSA-N 0 0 338.323 3.373 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](c1cccnc1)C1CC1 ZINC000351608950 144287695 /nfs/dbraw/zinc/28/76/95/144287695.db2.gz JRUWSOCFCGYRMO-HNNXBMFYSA-N 0 0 330.319 3.402 10 5 EGBERN Cc1ccc(CN[C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000363920795 144376833 /nfs/dbraw/zinc/37/68/33/144376833.db2.gz MSHAIVTUIFYSOB-CYBMUJFWSA-N 0 0 329.404 3.072 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374543505 144547319 /nfs/dbraw/zinc/54/73/19/144547319.db2.gz MFIYZJWLVHYTIQ-GOSISDBHSA-N 0 0 330.359 3.264 10 5 EGBERN CCOc1ccc(C(=O)N2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000375370683 144591346 /nfs/dbraw/zinc/59/13/46/144591346.db2.gz RHBRWZPNVSUETL-UHFFFAOYSA-N 0 0 348.399 3.026 10 5 EGBERN CC1(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000341276961 155224513 /nfs/dbraw/zinc/22/45/13/155224513.db2.gz LLOQPQPUKWSRPV-UHFFFAOYSA-N 0 0 331.416 3.214 10 5 EGBERN C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1[N+](=O)[O-] ZINC000341283671 155228396 /nfs/dbraw/zinc/22/83/96/155228396.db2.gz KHEDMNMWEBEHMU-BDJLRTHQSA-N 0 0 328.393 3.489 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356862277 286175843 /nfs/dbraw/zinc/17/58/43/286175843.db2.gz JSBJKUQNWCDQFE-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCOC[C@H]1CC1CCC1 ZINC000341406687 155275043 /nfs/dbraw/zinc/27/50/43/155275043.db2.gz KMCYFKLOCRAYOI-CQSZACIVSA-N 0 0 343.383 3.107 10 5 EGBERN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccnc1 ZINC000115472498 152012319 /nfs/dbraw/zinc/01/23/19/152012319.db2.gz MBCGXOXAEVERQD-LLVKDONJSA-N 0 0 339.355 3.089 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000116046761 152039024 /nfs/dbraw/zinc/03/90/24/152039024.db2.gz PMIZOTOLKWJUCG-LBPRGKRZSA-N 0 0 346.339 3.182 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1F ZINC000116821574 152078033 /nfs/dbraw/zinc/07/80/33/152078033.db2.gz QKWKBEBHRLGRIV-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000117578354 152104765 /nfs/dbraw/zinc/10/47/65/152104765.db2.gz ZMRCSJIMUGOYDK-QLJPJBMISA-N 0 0 328.324 3.107 10 5 EGBERN Nc1c(C(=O)N2CC=C(c3cccs3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000117856724 152119933 /nfs/dbraw/zinc/11/99/33/152119933.db2.gz HVNNHTYYVQYUCC-UHFFFAOYSA-N 0 0 347.371 3.307 10 5 EGBERN CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120386704 152272592 /nfs/dbraw/zinc/27/25/92/152272592.db2.gz CFORISQANJMOPH-UHFFFAOYSA-N 0 0 325.324 3.054 10 5 EGBERN CCc1noc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120934705 152311646 /nfs/dbraw/zinc/31/16/46/152311646.db2.gz LQLGZEVDZTYEGJ-UHFFFAOYSA-N 0 0 344.371 3.306 10 5 EGBERN COCc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000122911716 152430370 /nfs/dbraw/zinc/43/03/70/152430370.db2.gz WIDZQOWNPRMHDY-SECBINFHSA-N 0 0 347.396 3.098 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cs1 ZINC000160608905 152763842 /nfs/dbraw/zinc/76/38/42/152763842.db2.gz OMFHFWJJLAPAIU-CYBMUJFWSA-N 0 0 347.444 3.311 10 5 EGBERN C[C@@H](CC1CC1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176692372 152932487 /nfs/dbraw/zinc/93/24/87/152932487.db2.gz YZCLSFLPCDSTLA-ZDUSSCGKSA-N 0 0 347.415 3.336 10 5 EGBERN CCCCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000176883548 152945223 /nfs/dbraw/zinc/94/52/23/152945223.db2.gz JXXRKZTZPHCFHG-GJZGRUSLSA-N 0 0 335.404 3.012 10 5 EGBERN COC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191085264 153175009 /nfs/dbraw/zinc/17/50/09/153175009.db2.gz GNXANGADIFCQOV-HNNXBMFYSA-N 0 0 344.367 3.029 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1-n1ccc(C)n1 ZINC000192697138 153254315 /nfs/dbraw/zinc/25/43/15/153254315.db2.gz HHFBRJNNHSJLLT-UHFFFAOYSA-N 0 0 340.387 3.226 10 5 EGBERN CSc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000193589664 153297474 /nfs/dbraw/zinc/29/74/74/153297474.db2.gz TWKDLWIINLPIED-JSGCOSHPSA-N 0 0 336.413 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(C2)OCc2ccccc23)n1 ZINC000373459396 292286059 /nfs/dbraw/zinc/28/60/59/292286059.db2.gz LLHPUPJXYSFNPF-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN Cc1sc(C(=O)Nc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000302957449 154032778 /nfs/dbraw/zinc/03/27/78/154032778.db2.gz BKOZTEGXUJSXEJ-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C(F)F ZINC000337460526 154364848 /nfs/dbraw/zinc/36/48/48/154364848.db2.gz QSHLKPAUPNLFFI-LLVKDONJSA-N 0 0 329.303 3.255 10 5 EGBERN CCc1noc(C)c1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338398143 154676575 /nfs/dbraw/zinc/67/65/75/154676575.db2.gz NSOHHLGLWGAVGE-UHFFFAOYSA-N 0 0 332.360 3.160 10 5 EGBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000339924713 155035728 /nfs/dbraw/zinc/03/57/28/155035728.db2.gz FOJVTPSYNMCSSM-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCc2c1cccc2F ZINC000341042952 155128261 /nfs/dbraw/zinc/12/82/61/155128261.db2.gz VAJSSDDPKJSPBO-INIZCTEOSA-N 0 0 343.358 3.263 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000372802523 157387155 /nfs/dbraw/zinc/38/71/55/157387155.db2.gz MVKFBSFQWCMLPF-UHFFFAOYSA-N 0 0 347.415 3.190 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000077933872 161754310 /nfs/dbraw/zinc/75/43/10/161754310.db2.gz ZWNAOEQTTVOKAI-KBPBESRZSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000105846736 162057886 /nfs/dbraw/zinc/05/78/86/162057886.db2.gz DDAPZENDJBIQSU-INIZCTEOSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000109103418 162093587 /nfs/dbraw/zinc/09/35/87/162093587.db2.gz TWNZAOBATUETJD-UHFFFAOYSA-N 0 0 344.346 3.290 10 5 EGBERN CCCc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000110014798 162119113 /nfs/dbraw/zinc/11/91/13/162119113.db2.gz CFZOBGCVCLTRMR-UHFFFAOYSA-N 0 0 331.376 3.101 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110445125 162127847 /nfs/dbraw/zinc/12/78/47/162127847.db2.gz PBZDFVOWHMJWKW-HOTGVXAUSA-N 0 0 339.395 3.317 10 5 EGBERN Cc1ccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000125004465 162260450 /nfs/dbraw/zinc/26/04/50/162260450.db2.gz HISPBTDJPUFSBK-UHFFFAOYSA-N 0 0 338.327 3.332 10 5 EGBERN Cc1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000134851378 162501273 /nfs/dbraw/zinc/50/12/73/162501273.db2.gz IRRCYAAICHPGGZ-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000249276026 163061666 /nfs/dbraw/zinc/06/16/66/163061666.db2.gz KYNAEXXEERTBIT-CGTJXYLNSA-N 0 0 343.383 3.214 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(CCCO)c1 ZINC000336879060 163086039 /nfs/dbraw/zinc/08/60/39/163086039.db2.gz LAONMIIPWJTGTM-UHFFFAOYSA-N 0 0 346.408 3.251 10 5 EGBERN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000354314515 166002011 /nfs/dbraw/zinc/00/20/11/166002011.db2.gz BFSPSMPDZACCLT-OAHLLOKOSA-N 0 0 326.400 3.091 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000338104422 163196281 /nfs/dbraw/zinc/19/62/81/163196281.db2.gz ZSKAGGIWTDJREQ-OAHLLOKOSA-N 0 0 348.305 3.299 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000338495339 163246089 /nfs/dbraw/zinc/24/60/89/163246089.db2.gz TVKOZQHUEOIRQH-SNVBAGLBSA-N 0 0 334.319 3.237 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CSC1(C)C ZINC000338496449 163246227 /nfs/dbraw/zinc/24/62/27/163246227.db2.gz KFFKRJUENJYPIU-PRHODGIISA-N 0 0 344.820 3.026 10 5 EGBERN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000340611378 163622819 /nfs/dbraw/zinc/62/28/19/163622819.db2.gz NOJGIZJCHYENLC-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2c([N+](=O)[O-])nc(C)n2CC)c1 ZINC000340852773 163678725 /nfs/dbraw/zinc/67/87/25/163678725.db2.gz JLOHUPUXLAOSIY-UHFFFAOYSA-N 0 0 346.391 3.029 10 5 EGBERN Cc1cnc(CCN(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000343678948 164011028 /nfs/dbraw/zinc/01/10/28/164011028.db2.gz CWWDHGJGAXZCJI-UHFFFAOYSA-N 0 0 347.440 3.338 10 5 EGBERN CC[C@H](NC(=O)c1cccc2ncn(C)c21)c1cccc([N+](=O)[O-])c1 ZINC000343744655 164024485 /nfs/dbraw/zinc/02/44/85/164024485.db2.gz XTFYJHPVQMKQEI-HNNXBMFYSA-N 0 0 338.367 3.363 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343817612 164042005 /nfs/dbraw/zinc/04/20/05/164042005.db2.gz ODXNXIHIIBZDGV-ZDUSSCGKSA-N 0 0 327.384 3.433 10 5 EGBERN COc1ccccc1O[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343908176 164063153 /nfs/dbraw/zinc/06/31/53/164063153.db2.gz ICWCHDXHMKRTPK-AWEZNQCLSA-N 0 0 329.356 3.046 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000344097812 164102902 /nfs/dbraw/zinc/10/29/02/164102902.db2.gz WISXSIYVIKICTC-WPRPVWTQSA-N 0 0 347.293 3.408 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000344190358 164122874 /nfs/dbraw/zinc/12/28/74/164122874.db2.gz RDIQODFINPTMFB-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cc1ncc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C2CC2)n1 ZINC000344198423 164124169 /nfs/dbraw/zinc/12/41/69/164124169.db2.gz CBAJILWWTRWIDI-UHFFFAOYSA-N 0 0 348.309 3.030 10 5 EGBERN CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000344347051 164161512 /nfs/dbraw/zinc/16/15/12/164161512.db2.gz HZEOFROSXULFBQ-MNOVXSKESA-N 0 0 326.418 3.249 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(N2CCCC2=O)c1 ZINC000344416354 164173805 /nfs/dbraw/zinc/17/38/05/164173805.db2.gz IPUMJPDMGJSHRE-LBPRGKRZSA-N 0 0 326.356 3.290 10 5 EGBERN CCCN(C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])nc1 ZINC000344439049 164179196 /nfs/dbraw/zinc/17/91/96/164179196.db2.gz SZMYAXCNQHNPPH-AWEZNQCLSA-N 0 0 329.356 3.046 10 5 EGBERN CCCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000345552577 164213280 /nfs/dbraw/zinc/21/32/80/164213280.db2.gz VYJJNVKLNHCQCT-UHFFFAOYSA-N 0 0 331.347 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CSCc3ccccn3)n2)cc1 ZINC000345690288 164244280 /nfs/dbraw/zinc/24/42/80/164244280.db2.gz HLQXTYRBDBLUTI-UHFFFAOYSA-N 0 0 328.353 3.473 10 5 EGBERN C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000345695549 164245661 /nfs/dbraw/zinc/24/56/61/164245661.db2.gz ZDHOEZRKXIAJIR-YVEFUNNKSA-N 0 0 343.408 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNc1ccccc1F ZINC000345710789 164249976 /nfs/dbraw/zinc/24/99/76/164249976.db2.gz KAIFRSIEBQSRKF-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN CO[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000345780420 164264701 /nfs/dbraw/zinc/26/47/01/164264701.db2.gz PPLNACUQSISGIC-INIZCTEOSA-N 0 0 344.367 3.039 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000345821961 164272593 /nfs/dbraw/zinc/27/25/93/164272593.db2.gz QCHIQZHYASZPRB-ONGXEEELSA-N 0 0 330.356 3.479 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(CSC)c3)no2)n1 ZINC000346400295 164380785 /nfs/dbraw/zinc/38/07/85/164380785.db2.gz KASUZJALUXBOIX-UHFFFAOYSA-N 0 0 345.384 3.391 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347069918 164440546 /nfs/dbraw/zinc/44/05/46/164440546.db2.gz CKGBCGLGTYOPMR-SGTLLEGYSA-N 0 0 326.352 3.023 10 5 EGBERN C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(F)c1 ZINC000349704346 164915315 /nfs/dbraw/zinc/91/53/15/164915315.db2.gz VHASCYOJSHDVPF-LBPRGKRZSA-N 0 0 343.358 3.207 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351621566 165105512 /nfs/dbraw/zinc/10/55/12/165105512.db2.gz QFCQVCJMYCUVFJ-XHDPSFHLSA-N 0 0 339.367 3.187 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCO1 ZINC000351687332 165132811 /nfs/dbraw/zinc/13/28/11/165132811.db2.gz SQZBIGHNVHCXNK-UHFFFAOYSA-N 0 0 330.793 3.284 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000351896970 165140853 /nfs/dbraw/zinc/14/08/53/165140853.db2.gz JTVFCGFZRQMXEH-UONOGXRCSA-N 0 0 340.807 3.117 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352049591 165209747 /nfs/dbraw/zinc/20/97/47/165209747.db2.gz RLWBUTUDPUHJIP-BXUZGUMPSA-N 0 0 349.412 3.059 10 5 EGBERN O=[N+]([O-])c1ccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cn1 ZINC000352256857 165312594 /nfs/dbraw/zinc/31/25/94/165312594.db2.gz MPMNNRFJJNWMOO-CYBMUJFWSA-N 0 0 332.335 3.463 10 5 EGBERN CC(C)(C(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352390450 165377189 /nfs/dbraw/zinc/37/71/89/165377189.db2.gz LMCZKAILTVUYPD-IBGZPJMESA-N 0 0 346.427 3.292 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971905 287145091 /nfs/dbraw/zinc/14/50/91/287145091.db2.gz KLSXZOVOWTUSBC-ZXFNITATSA-N 0 0 334.416 3.314 10 5 EGBERN COc1ccc(CN2CCc3ccc(F)c(F)c3C2)cc1[N+](=O)[O-] ZINC000355208283 166133897 /nfs/dbraw/zinc/13/38/97/166133897.db2.gz OXOLTJDFZRZWDX-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN COc1ccc(NC(=O)c2oc(CC3CC3)nc2C)c([N+](=O)[O-])c1 ZINC000355480543 166215835 /nfs/dbraw/zinc/21/58/35/166215835.db2.gz XZVOECYDBAMBMV-UHFFFAOYSA-N 0 0 331.328 3.105 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc(CCn3cnc4ccccc43)no2)c1 ZINC000355575299 166248198 /nfs/dbraw/zinc/24/81/98/166248198.db2.gz NGJRTUFBXRPDCZ-UHFFFAOYSA-N 0 0 349.350 3.161 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H](C)c1cccnc1 ZINC000356108966 166402434 /nfs/dbraw/zinc/40/24/34/166402434.db2.gz JYCFXGDUIIDDNY-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(CCOC)C1 ZINC000356569586 166452202 /nfs/dbraw/zinc/45/22/02/166452202.db2.gz VNIGUZXGDVYARZ-UHFFFAOYSA-N 0 0 338.429 3.205 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000358685005 166934196 /nfs/dbraw/zinc/93/41/96/166934196.db2.gz RDSXWRHATZJZFY-UHFFFAOYSA-N 0 0 338.770 3.447 10 5 EGBERN Cc1csc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000358890283 166995333 /nfs/dbraw/zinc/99/53/33/166995333.db2.gz RKEKDRDUEZQOLM-UHFFFAOYSA-N 0 0 343.311 3.238 10 5 EGBERN O=C(Nc1cccc2nccn21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359076477 167059926 /nfs/dbraw/zinc/05/99/26/167059926.db2.gz MHNDSKRHPJPAEG-UHFFFAOYSA-N 0 0 348.265 3.096 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccco2)C[C@H]2CCCO2)n1 ZINC000359089624 167063974 /nfs/dbraw/zinc/06/39/74/167063974.db2.gz BPINYAVWYJEMDR-OAHLLOKOSA-N 0 0 331.372 3.385 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2nnc3ccccn32)C(C)C)n1 ZINC000359093783 167064995 /nfs/dbraw/zinc/06/49/95/167064995.db2.gz JUWXDIIOZVLGCN-CQSZACIVSA-N 0 0 340.387 3.459 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000360396055 167320122 /nfs/dbraw/zinc/32/01/22/167320122.db2.gz QPFYWWGETCMQJN-SECBINFHSA-N 0 0 336.373 3.251 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(CC2)c2ccccc21 ZINC000360481944 167338778 /nfs/dbraw/zinc/33/87/78/167338778.db2.gz IIMVCBRBMIKOAG-CYBMUJFWSA-N 0 0 337.379 3.474 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCCCCF)cc2[N+](=O)[O-])C1 ZINC000360522285 167348787 /nfs/dbraw/zinc/34/87/87/167348787.db2.gz RBERUNJKWAYJQL-ZDUSSCGKSA-N 0 0 337.395 3.311 10 5 EGBERN CC(=O)c1cccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000360751009 167403841 /nfs/dbraw/zinc/40/38/41/167403841.db2.gz QUXSADKTRIGELK-UHFFFAOYSA-N 0 0 349.346 3.328 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000361878605 167683109 /nfs/dbraw/zinc/68/31/09/167683109.db2.gz CTHQMMXKOJQWNN-ZDUSSCGKSA-N 0 0 345.399 3.070 10 5 EGBERN Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000362460229 167764193 /nfs/dbraw/zinc/76/41/93/167764193.db2.gz IXGCBOCSETYOFB-UHFFFAOYSA-N 0 0 338.323 3.091 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]1c1ccccc1 ZINC000362569389 167801367 /nfs/dbraw/zinc/80/13/67/167801367.db2.gz NPFLETYFTTUMAF-INIZCTEOSA-N 0 0 332.306 3.389 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000362595782 167807530 /nfs/dbraw/zinc/80/75/30/167807530.db2.gz HAAXUKJPZVEDGQ-UHFFFAOYSA-N 0 0 346.358 3.470 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCNc1ccccc1 ZINC000362766161 167835822 /nfs/dbraw/zinc/83/58/22/167835822.db2.gz OSNLISVDNOLQRP-UHFFFAOYSA-N 0 0 349.337 3.034 10 5 EGBERN CCc1nn(C)c(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000367167500 168187355 /nfs/dbraw/zinc/18/73/55/168187355.db2.gz ZSFSQKGKQXCLMQ-LLVKDONJSA-N 0 0 346.353 3.450 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367562412 168242673 /nfs/dbraw/zinc/24/26/73/168242673.db2.gz HRPFLYQDJMCRSG-VQIMIIECSA-N 0 0 340.379 3.031 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cn2)CC1 ZINC000367740306 168264821 /nfs/dbraw/zinc/26/48/21/168264821.db2.gz KTBIZNSBGRFDKU-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000368063345 168306268 /nfs/dbraw/zinc/30/62/68/168306268.db2.gz QSIQGHCABGLOPT-BZNIZROVSA-N 0 0 333.344 3.155 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000368063347 168306350 /nfs/dbraw/zinc/30/63/50/168306350.db2.gz QSIQGHCABGLOPT-ZBEGNZNMSA-N 0 0 333.344 3.155 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Cc2ccncc2)C1 ZINC000368078848 168307722 /nfs/dbraw/zinc/30/77/22/168307722.db2.gz KWDGBNRBKBLLPC-CQSZACIVSA-N 0 0 326.356 3.086 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000120406220 221569812 /nfs/dbraw/zinc/56/98/12/221569812.db2.gz NDFFPCYGAKVAKM-LBPRGKRZSA-N 0 0 334.763 3.086 10 5 EGBERN Nc1ccc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000123678558 222316168 /nfs/dbraw/zinc/31/61/68/222316168.db2.gz DVUSTUKUZUQWEI-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000175240107 265103128 /nfs/dbraw/zinc/10/31/28/265103128.db2.gz BWXFYALJSPDDMF-CVEARBPZSA-N 0 0 349.431 3.354 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175261777 265104045 /nfs/dbraw/zinc/10/40/45/265104045.db2.gz ADVIEULEPZOWMX-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175261759 265104295 /nfs/dbraw/zinc/10/42/95/265104295.db2.gz ADVIEULEPZOWMX-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN CCOc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000175446921 265114758 /nfs/dbraw/zinc/11/47/58/265114758.db2.gz ZHXBDLLTHZWJAD-RYUDHWBXSA-N 0 0 336.388 3.263 10 5 EGBERN CCCn1nccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178392229 265312906 /nfs/dbraw/zinc/31/29/06/265312906.db2.gz SVXPWGROHRWZGX-UHFFFAOYSA-N 0 0 343.387 3.398 10 5 EGBERN CCOc1cc(Cl)ccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191669104 265924302 /nfs/dbraw/zinc/92/43/02/265924302.db2.gz HCCZNYFEYGXTFN-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000191828367 265935331 /nfs/dbraw/zinc/93/53/31/265935331.db2.gz COKOCXALFNSBQL-RISCZKNCSA-N 0 0 346.362 3.174 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000193637696 266049480 /nfs/dbraw/zinc/04/94/80/266049480.db2.gz BFBSDOREMBUVJH-VXGBXAGGSA-N 0 0 347.371 3.183 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194309220 266106481 /nfs/dbraw/zinc/10/64/81/266106481.db2.gz UNZRDUSKEICKCK-ZDUSSCGKSA-N 0 0 336.388 3.025 10 5 EGBERN CCCCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000271443250 266662799 /nfs/dbraw/zinc/66/27/99/266662799.db2.gz UFQDGRQOXYVTET-UHFFFAOYSA-N 0 0 332.360 3.068 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nnc(C)s1 ZINC000273506960 267050520 /nfs/dbraw/zinc/05/05/20/267050520.db2.gz AZRUTPFPQJEOAW-AAXQSMANSA-N 0 0 332.385 3.035 10 5 EGBERN CCc1nnc(C)cc1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000273653388 267076011 /nfs/dbraw/zinc/07/60/11/267076011.db2.gz WTTDSEALUPXHGQ-OAHLLOKOSA-N 0 0 328.372 3.137 10 5 EGBERN C[C@H](c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1)C1CC1 ZINC000273851168 267125144 /nfs/dbraw/zinc/12/51/44/267125144.db2.gz CEPKLQOIMBKAJZ-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274000475 267162113 /nfs/dbraw/zinc/16/21/13/267162113.db2.gz PJUYIOSCKHUUGP-UHFFFAOYSA-N 0 0 349.774 3.395 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000274324721 267217950 /nfs/dbraw/zinc/21/79/50/267217950.db2.gz ZPZQSXZFPKPQSB-CJNGLKHVSA-N 0 0 349.431 3.472 10 5 EGBERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275923868 267450852 /nfs/dbraw/zinc/45/08/52/267450852.db2.gz QJUNJUDQFJWDQE-ZYHUDNBSSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCOCC1CC1 ZINC000276682781 267601668 /nfs/dbraw/zinc/60/16/68/267601668.db2.gz OYMQWVRCELKTJO-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN CC(C)(C)CC[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000277523763 267810280 /nfs/dbraw/zinc/81/02/80/267810280.db2.gz XYKLUTQRDZBKHI-NSHDSACASA-N 0 0 339.779 3.499 10 5 EGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000339112727 274066089 /nfs/dbraw/zinc/06/60/89/274066089.db2.gz SCXKBACBFWJELH-IINYFYTJSA-N 0 0 332.322 3.470 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3Cc4cnn(-c5ccccc5)c4C3)nc2c1 ZINC000338829023 275039049 /nfs/dbraw/zinc/03/90/49/275039049.db2.gz FMGGJHXGFZMIAF-UHFFFAOYSA-N 0 0 346.350 3.177 10 5 EGBERN O=C(NCCC1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032248858 275122990 /nfs/dbraw/zinc/12/29/90/275122990.db2.gz ZQGLYOVLWXDCSQ-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3F)c21 ZINC000103127841 275160438 /nfs/dbraw/zinc/16/04/38/275160438.db2.gz HDJOHICHFYUZCN-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1ccccc1-c1nnc(CSc2ncccc2[N+](=O)[O-])o1 ZINC000150915445 275193648 /nfs/dbraw/zinc/19/36/48/275193648.db2.gz FXODRMFWSGSXAX-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000184987753 275214364 /nfs/dbraw/zinc/21/43/64/275214364.db2.gz YQOAFQRJCGZVHU-CHWSQXEVSA-N 0 0 343.383 3.026 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2ccsc2)O1 ZINC000277953250 275255324 /nfs/dbraw/zinc/25/53/24/275255324.db2.gz WFDGWHPLMAUGHU-BMIGLBTASA-N 0 0 344.396 3.499 10 5 EGBERN CN(CC1CC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278962375 275291417 /nfs/dbraw/zinc/29/14/17/275291417.db2.gz GRTQNOYSUDKHKL-UHFFFAOYSA-N 0 0 331.294 3.165 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000280240521 275425750 /nfs/dbraw/zinc/42/57/50/275425750.db2.gz NJBANRJYXXQXFN-UHFFFAOYSA-N 0 0 327.344 3.185 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2nc(C)cs2)c1[N+](=O)[O-] ZINC000285694332 275903682 /nfs/dbraw/zinc/90/36/82/275903682.db2.gz QSLNSVUSDVZNSY-UHFFFAOYSA-N 0 0 325.371 3.001 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000287052654 276076817 /nfs/dbraw/zinc/07/68/17/276076817.db2.gz WZXAPYIVHXSSHN-CYBMUJFWSA-N 0 0 348.399 3.356 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)c1 ZINC000287303021 276105884 /nfs/dbraw/zinc/10/58/84/276105884.db2.gz MWDPXPQFZUUAHN-CQSZACIVSA-N 0 0 342.399 3.267 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](c3ccsc3)C2)s1 ZINC000287869234 276165428 /nfs/dbraw/zinc/16/54/28/276165428.db2.gz NINHQOQDNTZPNS-NSHDSACASA-N 0 0 348.409 3.239 10 5 EGBERN Cc1sc(C(=O)N(C)CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000288217050 276191994 /nfs/dbraw/zinc/19/19/94/276191994.db2.gz NHWOYMDKAWSLGG-UHFFFAOYSA-N 0 0 343.149 3.024 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000288452971 276215794 /nfs/dbraw/zinc/21/57/94/276215794.db2.gz PNZVQADEWABEDV-NHYWBVRUSA-N 0 0 341.367 3.282 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCSC1 ZINC000288978729 276274142 /nfs/dbraw/zinc/27/41/42/276274142.db2.gz MMIHYUDDYCBAMH-JTQLQIEISA-N 0 0 328.821 3.430 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000373646560 276663778 /nfs/dbraw/zinc/66/37/78/276663778.db2.gz XHZRTGFFLHNEBX-SWLSCSKDSA-N 0 0 326.780 3.023 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000292011690 276720612 /nfs/dbraw/zinc/72/06/12/276720612.db2.gz SCRDBBAEIVXDGZ-FZKQIMNGSA-N 0 0 327.384 3.274 10 5 EGBERN COC(=O)[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228847954 277125604 /nfs/dbraw/zinc/12/56/04/277125604.db2.gz JPAHRKFIPPIFIT-QMMMGPOBSA-N 0 0 333.171 3.291 10 5 EGBERN COCC[C@H]1CCCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000377256912 277241280 /nfs/dbraw/zinc/24/12/80/277241280.db2.gz MVFYQZARMJRHFR-GFCCVEGCSA-N 0 0 326.368 3.386 10 5 EGBERN CO[C@H](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(F)(F)F ZINC000355559373 277716339 /nfs/dbraw/zinc/71/63/39/277716339.db2.gz MWRYINRNLJHGEY-GFCCVEGCSA-N 0 0 349.309 3.301 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341846854 277880306 /nfs/dbraw/zinc/88/03/06/277880306.db2.gz NYSUNLDOKBVGEF-LBPRGKRZSA-N 0 0 337.395 3.111 10 5 EGBERN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OC=C[C@H]41 ZINC000014715656 278043594 /nfs/dbraw/zinc/04/35/94/278043594.db2.gz JKUJKKGMOZDDJV-AYLIAGHASA-N 0 0 338.315 3.309 10 5 endogenous,in-man EGBERN Cc1c(C(=O)N2CC3(CCC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365324459 278584805 /nfs/dbraw/zinc/58/48/05/278584805.db2.gz WJGSLLXIDTZLFC-SNVBAGLBSA-N 0 0 333.344 3.216 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055874 279078245 /nfs/dbraw/zinc/07/82/45/279078245.db2.gz UOLMFOZNJVNZCC-SVRRBLITSA-N 0 0 332.307 3.377 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2nccnc2c1 ZINC000348912782 280023834 /nfs/dbraw/zinc/02/38/34/280023834.db2.gz TWVFKWOMTAFBIS-NSHDSACASA-N 0 0 334.335 3.129 10 5 EGBERN O=C(O[C@H]1CCCCC1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005659592 280074146 /nfs/dbraw/zinc/07/41/46/280074146.db2.gz DUHNFYVXDLLIBD-KRWDZBQOSA-N 0 0 346.383 3.254 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])CCC2 ZINC000365036889 282041534 /nfs/dbraw/zinc/04/15/34/282041534.db2.gz GMXSOEYGULOLFF-GFCCVEGCSA-N 0 0 335.360 3.306 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H]1C ZINC000361059128 289381367 /nfs/dbraw/zinc/38/13/67/289381367.db2.gz DWFOFYGHQGHNNZ-QWHCGFSZSA-N 0 0 325.368 3.499 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@@H]1C ZINC000361072204 289383268 /nfs/dbraw/zinc/38/32/68/289383268.db2.gz FTMNPQUUBMWPAH-QWHCGFSZSA-N 0 0 325.368 3.499 10 5 EGBERN Cc1ccnc(OC2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000360174970 292793702 /nfs/dbraw/zinc/79/37/02/292793702.db2.gz OVONMWYKWLQRBX-UHFFFAOYSA-N 0 0 342.399 3.358 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000408106114 297076713 /nfs/dbraw/zinc/07/67/13/297076713.db2.gz JFXQAMZYSSEWFA-OTYXRUKQSA-N 0 0 347.198 3.286 10 5 EGBERN COCC(C)(C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413518050 309035323 /nfs/dbraw/zinc/03/53/23/309035323.db2.gz MXXOOHNVWDPNPB-OAHLLOKOSA-N 0 0 338.429 3.232 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000361006098 304812785 /nfs/dbraw/zinc/81/27/85/304812785.db2.gz AFDNXLDVXGHUTO-HNNXBMFYSA-N 0 0 337.738 3.360 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc([C@H]3CCC(=O)N3)c2)n1 ZINC000413562031 309037574 /nfs/dbraw/zinc/03/75/74/309037574.db2.gz ORIXLJQZURUPNK-CQSZACIVSA-N 0 0 326.356 3.301 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ccc(F)cc3)C2)c(Cl)c1 ZINC000413608137 309039324 /nfs/dbraw/zinc/03/93/24/309039324.db2.gz SMGHFYGJJRFGBE-NSHDSACASA-N 0 0 336.754 3.473 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000078148664 307416260 /nfs/dbraw/zinc/41/62/60/307416260.db2.gz XHCIZMBKQVLRFF-JKSUJKDBSA-N 0 0 338.363 3.296 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000081452073 307439978 /nfs/dbraw/zinc/43/99/78/307439978.db2.gz POKYQCRROYBMRH-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000413996541 309055843 /nfs/dbraw/zinc/05/58/43/309055843.db2.gz MJZKSYHLUGIKEM-AWEZNQCLSA-N 0 0 348.321 3.375 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126099660 307564115 /nfs/dbraw/zinc/56/41/15/307564115.db2.gz LYAQBTXHOOYHSB-QGZVFWFLSA-N 0 0 349.431 3.128 10 5 EGBERN Cc1cc(=O)n(CCOc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000128655414 307603837 /nfs/dbraw/zinc/60/38/37/307603837.db2.gz JBQZONFQZWMBNW-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN CC(C)CCC[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000133978672 307679971 /nfs/dbraw/zinc/67/99/71/307679971.db2.gz PSCMINVXYSSOJJ-ZDUSSCGKSA-N 0 0 328.434 3.229 10 5 EGBERN CC(=O)c1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000135458191 307703071 /nfs/dbraw/zinc/70/30/71/307703071.db2.gz NPVXSIVKPJEDLF-UHFFFAOYSA-N 0 0 339.760 3.089 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000151794652 307739281 /nfs/dbraw/zinc/73/92/81/307739281.db2.gz NAZVKEYNNNTZOO-CYBMUJFWSA-N 0 0 346.408 3.438 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171167252 307942526 /nfs/dbraw/zinc/94/25/26/307942526.db2.gz DPEJAPUTZZDXAY-GFCCVEGCSA-N 0 0 331.347 3.164 10 5 EGBERN COCc1ccc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414432918 309079607 /nfs/dbraw/zinc/07/96/07/309079607.db2.gz SOKKRCRWXSYXGX-CYBMUJFWSA-N 0 0 349.408 3.417 10 5 EGBERN CS(=O)(=O)c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000292805500 308067865 /nfs/dbraw/zinc/06/78/65/308067865.db2.gz NRSHUGAQIJZKBS-ZFWWWQNUSA-N 0 0 346.408 3.214 10 5 EGBERN O=C(Nc1ccc(C2CCC2)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000294911979 308270731 /nfs/dbraw/zinc/27/07/31/308270731.db2.gz WAJIQEDINZJUEY-UHFFFAOYSA-N 0 0 342.311 3.418 10 5 EGBERN Cc1ccc(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000295250821 308307501 /nfs/dbraw/zinc/30/75/01/308307501.db2.gz FCUFVJQMGGZOFO-NSHDSACASA-N 0 0 333.775 3.372 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000295596038 308342022 /nfs/dbraw/zinc/34/20/22/308342022.db2.gz ORAZVLKQEGGLLS-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000295635450 308345707 /nfs/dbraw/zinc/34/57/07/308345707.db2.gz CVGGXRHBWPSZCF-LSDHHAIUSA-N 0 0 328.372 3.009 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000295642271 308346198 /nfs/dbraw/zinc/34/61/98/308346198.db2.gz TXWNBBGPKKANJI-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c(F)cc1[N+](=O)[O-] ZINC000295774185 308358624 /nfs/dbraw/zinc/35/86/24/308358624.db2.gz QCVDPRDKLUEOON-MLGOLLRUSA-N 0 0 347.346 3.470 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295832856 308364687 /nfs/dbraw/zinc/36/46/87/308364687.db2.gz ZLAYCVNUCDNJII-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000296027867 308386663 /nfs/dbraw/zinc/38/66/63/308386663.db2.gz VCWKKRUJVFIMCL-VIFPVBQESA-N 0 0 343.261 3.385 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000296093300 308392667 /nfs/dbraw/zinc/39/26/67/308392667.db2.gz MHOANIJFNVYJCS-WDEREUQCSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000296710174 308458564 /nfs/dbraw/zinc/45/85/64/308458564.db2.gz LWELWYJXNMOKDK-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000297471820 308537216 /nfs/dbraw/zinc/53/72/16/308537216.db2.gz DCVITVFVBMMHSY-OGHNNQOOSA-N 0 0 343.383 3.077 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@](C)(COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000297828489 308566437 /nfs/dbraw/zinc/56/64/37/308566437.db2.gz GKYTZKODNGWSAO-WBVHZDCISA-N 0 0 335.404 3.114 10 5 EGBERN CNC(=O)c1ccc(Nc2cccc([C@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000301157130 308690169 /nfs/dbraw/zinc/69/01/69/308690169.db2.gz QKFINHTUCQYBQA-NSHDSACASA-N 0 0 329.356 3.405 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(OC)c2OC)c1 ZINC000301327174 308696558 /nfs/dbraw/zinc/69/65/58/308696558.db2.gz BLPRCOFPMBDVNJ-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN COC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000301365340 308698012 /nfs/dbraw/zinc/69/80/12/308698012.db2.gz NHWTYADXDZFXFJ-UHFFFAOYSA-N 0 0 331.328 3.394 10 5 EGBERN CCOc1cc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000301627470 308708129 /nfs/dbraw/zinc/70/81/29/308708129.db2.gz HIWZPALKFGNZOY-BBRMVZONSA-N 0 0 330.388 3.278 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCOc2ncccc2Cl)c1 ZINC000301662798 308709817 /nfs/dbraw/zinc/70/98/17/308709817.db2.gz NDRLGNRINVPXHS-UHFFFAOYSA-N 0 0 341.726 3.282 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000301857779 308718638 /nfs/dbraw/zinc/71/86/38/308718638.db2.gz RWVAFAWAPYGEEA-KCPJHIHWSA-N 0 0 326.780 3.021 10 5 EGBERN COc1ccc([C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C(C)C)cc1 ZINC000301951019 308722924 /nfs/dbraw/zinc/72/29/24/308722924.db2.gz ZUDUZSRDHIKSIB-QGZVFWFLSA-N 0 0 341.371 3.455 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]3c3c(F)cccc3Cl)nn21 ZINC000301956997 308723021 /nfs/dbraw/zinc/72/30/21/308723021.db2.gz FYOVMBKYUNFRMW-LDYMZIIASA-N 0 0 347.737 3.398 10 5 EGBERN CC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc([N+](=O)[O-])c1 ZINC000301978316 308723927 /nfs/dbraw/zinc/72/39/27/308723927.db2.gz WWTFVPPMRPXUJS-LBPRGKRZSA-N 0 0 342.315 3.109 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccs3)C2)c1 ZINC000302201246 308733108 /nfs/dbraw/zinc/73/31/08/308733108.db2.gz VGIJCQYTHFBLMB-CQSZACIVSA-N 0 0 348.380 3.021 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2Cl)CC[S@]1=O ZINC000302226641 308734145 /nfs/dbraw/zinc/73/41/45/308734145.db2.gz SXGPFHUTIFQTMS-OAQYLSRUSA-N 0 0 330.837 3.376 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N(Cc3c(F)cccc3F)C3CC3)nn21 ZINC000302713797 308742825 /nfs/dbraw/zinc/74/28/25/308742825.db2.gz LNMHQWOKMYJSFH-UHFFFAOYSA-N 0 0 345.309 3.085 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@H](COCC2CC2)C1 ZINC000302836250 308747561 /nfs/dbraw/zinc/74/75/61/308747561.db2.gz WJRJCWGBSXTOGJ-CQSZACIVSA-N 0 0 340.807 3.188 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccn(C3CCCC3)n1)CCN2 ZINC000302881006 308749396 /nfs/dbraw/zinc/74/93/96/308749396.db2.gz IRKDACKXORWGDO-UHFFFAOYSA-N 0 0 327.388 3.487 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000303744545 308755117 /nfs/dbraw/zinc/75/51/17/308755117.db2.gz ACPIKCHNRFNMEX-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCC[C@H](CO)C1 ZINC000311320910 308764281 /nfs/dbraw/zinc/76/42/81/308764281.db2.gz CAYLFTQYNRVBQI-ONGXEEELSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000410397598 308916821 /nfs/dbraw/zinc/91/68/21/308916821.db2.gz GMZVBWPPSYJJHZ-UHFFFAOYSA-N 0 0 348.424 3.140 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC2(C3(C)CC3)CC2)cc1SC ZINC000411067273 308925181 /nfs/dbraw/zinc/92/51/81/308925181.db2.gz PRQMRRPCXBXHSF-UHFFFAOYSA-N 0 0 336.413 3.388 10 5 EGBERN CC[C@H](CC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000411757847 308951796 /nfs/dbraw/zinc/95/17/96/308951796.db2.gz MWNGBDLCYGUCFR-SECBINFHSA-N 0 0 338.314 3.027 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412143059 308971256 /nfs/dbraw/zinc/97/12/56/308971256.db2.gz INWYTTIUPKYIMZ-MAUKXSAKSA-N 0 0 328.343 3.138 10 5 EGBERN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000412782406 309002474 /nfs/dbraw/zinc/00/24/74/309002474.db2.gz BZQGGECLLGAHQD-UHFFFAOYSA-N 0 0 349.774 3.232 10 5 EGBERN CO[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)CC(C)C ZINC000416062963 309156856 /nfs/dbraw/zinc/15/68/56/309156856.db2.gz PDJVTGKZNYMETO-SNVBAGLBSA-N 0 0 348.321 3.405 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416258372 309166296 /nfs/dbraw/zinc/16/62/96/309166296.db2.gz NOFVLAGGUZHURA-GFCCVEGCSA-N 0 0 335.310 3.048 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000417048771 309191014 /nfs/dbraw/zinc/19/10/14/309191014.db2.gz XUUHFPHWDCTLSS-INIZCTEOSA-N 0 0 333.388 3.244 10 5 EGBERN CC(C)(C)c1cc(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])no1 ZINC000419604074 309270417 /nfs/dbraw/zinc/27/04/17/309270417.db2.gz ZJPKUWPMQPYXFJ-UHFFFAOYSA-N 0 0 349.412 3.413 10 5 EGBERN CCc1[nH]nc(-c2nc([C@@H](C)c3c(F)cccc3F)no2)c1[N+](=O)[O-] ZINC000420485660 309287797 /nfs/dbraw/zinc/28/77/97/309287797.db2.gz IMBXISPCIXLLQN-ZETCQYMHSA-N 0 0 349.297 3.360 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)c1 ZINC000420608776 309289992 /nfs/dbraw/zinc/28/99/92/309289992.db2.gz FEVHKXKGVYJUNY-CQSZACIVSA-N 0 0 339.395 3.304 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C(F)(F)F)CCOCC1 ZINC000421503545 309327478 /nfs/dbraw/zinc/32/74/78/309327478.db2.gz NBTKBHUSMOZNQQ-UHFFFAOYSA-N 0 0 346.305 3.053 10 5 EGBERN CCc1cnc(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000421518035 309328103 /nfs/dbraw/zinc/32/81/03/309328103.db2.gz YKPDKBUTKKSGEJ-UHFFFAOYSA-N 0 0 333.413 3.203 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000422228740 309358549 /nfs/dbraw/zinc/35/85/49/309358549.db2.gz ATGSBYOBPXXZPE-STQMWFEESA-N 0 0 335.404 3.087 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)n1 ZINC000427190426 309524370 /nfs/dbraw/zinc/52/43/70/309524370.db2.gz ULYNINARNASVKH-ZDUSSCGKSA-N 0 0 330.388 3.261 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)n1 ZINC000427400304 309528428 /nfs/dbraw/zinc/52/84/28/309528428.db2.gz UCTOBDRWDPXZDH-WDEREUQCSA-N 0 0 346.362 3.098 10 5 EGBERN COC1CCC(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000428369693 309549004 /nfs/dbraw/zinc/54/90/04/309549004.db2.gz JYUJEDNOBBZPNE-HLIUYOAVSA-N 0 0 349.431 3.469 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000430117400 309598096 /nfs/dbraw/zinc/59/80/96/309598096.db2.gz AOODVPOSUIFCLS-MORSLUCNSA-N 0 0 339.395 3.173 10 5 EGBERN Cc1cc(OCC(=O)NCCCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000430558747 309610804 /nfs/dbraw/zinc/61/08/04/309610804.db2.gz RIKIOYOLFDUZJV-UHFFFAOYSA-N 0 0 346.358 3.170 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455080397 310343572 /nfs/dbraw/zinc/34/35/72/310343572.db2.gz FOQKSBAJACMOJC-CJNGLKHVSA-N 0 0 335.404 3.476 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000435641467 309737091 /nfs/dbraw/zinc/73/70/91/309737091.db2.gz JUSUKFDBSYCVFI-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CC1(C)COC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455110259 310345018 /nfs/dbraw/zinc/34/50/18/310345018.db2.gz YUMBFTCOAUITHY-LLVKDONJSA-N 0 0 347.293 3.160 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000438146008 309808077 /nfs/dbraw/zinc/80/80/77/309808077.db2.gz NYDJHSDSDUAGPV-NQCMUKECSA-N 0 0 340.379 3.207 10 5 EGBERN COC1CCC(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439155932 309827538 /nfs/dbraw/zinc/82/75/38/309827538.db2.gz QUYQLWSOVMCQHP-UHFFFAOYSA-N 0 0 340.807 3.492 10 5 EGBERN CCNc1ccc(C(=O)N(CC)c2cccnc2C)cc1[N+](=O)[O-] ZINC000439220188 309828683 /nfs/dbraw/zinc/82/86/83/309828683.db2.gz CDJSCXVBHGBBEV-UHFFFAOYSA-N 0 0 328.372 3.397 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439498568 309834853 /nfs/dbraw/zinc/83/48/53/309834853.db2.gz ZDUUITYPOORVHK-HUUCEWRRSA-N 0 0 347.415 3.492 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000439924860 309842353 /nfs/dbraw/zinc/84/23/53/309842353.db2.gz AEPHBEUEKQFMJW-CABCVRRESA-N 0 0 346.427 3.148 10 5 EGBERN COc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)c1O ZINC000442671120 309884252 /nfs/dbraw/zinc/88/42/52/309884252.db2.gz LAOSPJVTUVCZQP-UHFFFAOYSA-N 0 0 348.742 3.165 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(Cc2ccccc2Cl)C1 ZINC000443836739 309908424 /nfs/dbraw/zinc/90/84/24/309908424.db2.gz HKTGOFZHWYULNO-UHFFFAOYSA-N 0 0 344.798 3.492 10 5 EGBERN Cc1csc(C2(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)n1 ZINC000444677355 309925483 /nfs/dbraw/zinc/92/54/83/309925483.db2.gz TXCHDKDJPRRLLY-UHFFFAOYSA-N 0 0 343.412 3.405 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CC/C=C/c3ccccc3)n2)n1C ZINC000445615883 309944546 /nfs/dbraw/zinc/94/45/46/309944546.db2.gz MVNYHTIZBOGDNX-UXBLZVDNSA-N 0 0 339.355 3.333 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCc1ccsc1 ZINC000447808679 309989311 /nfs/dbraw/zinc/98/93/11/309989311.db2.gz WEUZDUZNSVYFGM-UHFFFAOYSA-N 0 0 347.440 3.143 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c(F)ccc2Cl)n1 ZINC000448517752 310005141 /nfs/dbraw/zinc/00/51/41/310005141.db2.gz VDTVAKBANSOWKQ-UHFFFAOYSA-N 0 0 326.715 3.164 10 5 EGBERN O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000449425320 310060962 /nfs/dbraw/zinc/06/09/62/310060962.db2.gz QAHHLGFNLARTDQ-WMZOPIPTSA-N 0 0 348.349 3.034 10 5 EGBERN CCS(=O)(=O)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000449774179 310086223 /nfs/dbraw/zinc/08/62/23/310086223.db2.gz JUPQJAHYGRIEEE-UHFFFAOYSA-N 0 0 348.424 3.450 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@H]1CCCC[C@@H]1O ZINC000450393129 310119917 /nfs/dbraw/zinc/11/99/17/310119917.db2.gz OFAJWEJABDADQO-DYVFJYSZSA-N 0 0 329.400 3.308 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000450426252 310121897 /nfs/dbraw/zinc/12/18/97/310121897.db2.gz POGCXDAHSLPKHC-CVEARBPZSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(NC2(Cc3ccc(F)cc3)CCOCC2)cn1 ZINC000450542799 310129054 /nfs/dbraw/zinc/12/90/54/310129054.db2.gz VMEFBQKSTGUTRQ-UHFFFAOYSA-N 0 0 331.347 3.333 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCCC3CCOCC3)cc2N1 ZINC000450550602 310129718 /nfs/dbraw/zinc/12/97/18/310129718.db2.gz CMCARJBTRKJIMH-UHFFFAOYSA-N 0 0 333.388 3.098 10 5 EGBERN CCCOc1cccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000450687340 310137267 /nfs/dbraw/zinc/13/72/67/310137267.db2.gz AMTCABWOXLZCFG-UHFFFAOYSA-N 0 0 327.384 3.337 10 5 EGBERN C[C@@H]1CN(CC(F)(F)F)CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000450864420 310146528 /nfs/dbraw/zinc/14/65/28/310146528.db2.gz CLKSMCWYFVZTQB-SNVBAGLBSA-N 0 0 335.301 3.054 10 5 EGBERN Cc1cc(N2CCC[C@]3(CCOC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000450887486 310147946 /nfs/dbraw/zinc/14/79/46/310147946.db2.gz ZCMKOJKNEXEIAX-SFHVURJKSA-N 0 0 327.384 3.458 10 5 EGBERN O=C(NCCCC1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000452209605 310218722 /nfs/dbraw/zinc/21/87/22/310218722.db2.gz QYNLRPCHWIRAPR-UHFFFAOYSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000452587148 310233391 /nfs/dbraw/zinc/23/33/91/310233391.db2.gz LSEKGCJEINPMNU-ZACQAIPSSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)n1 ZINC000452867973 310246644 /nfs/dbraw/zinc/24/66/44/310246644.db2.gz YIJPPUAJXLIOLY-OAHLLOKOSA-N 0 0 340.383 3.021 10 5 EGBERN CC[C@H](CC(F)(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000453127591 310259660 /nfs/dbraw/zinc/25/96/60/310259660.db2.gz CDTMUDHFBHPBFX-MRVPVSSYSA-N 0 0 330.266 3.410 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000454146764 310294526 /nfs/dbraw/zinc/29/45/26/310294526.db2.gz MKZBVARARCHTNO-BZUAXINKSA-N 0 0 333.388 3.142 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454522989 310314692 /nfs/dbraw/zinc/31/46/92/310314692.db2.gz RILCUFZNOGMZSE-ONGXEEELSA-N 0 0 341.314 3.364 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000455238260 310351577 /nfs/dbraw/zinc/35/15/77/310351577.db2.gz LPSAXXSQBJOJJD-NSHDSACASA-N 0 0 333.310 3.470 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC1CCOCC1 ZINC000455460739 310361750 /nfs/dbraw/zinc/36/17/50/310361750.db2.gz IHUYPLWDRCMRRZ-UHFFFAOYSA-N 0 0 335.404 3.486 10 5 EGBERN CC[C@](C)(CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000456125198 310389525 /nfs/dbraw/zinc/38/95/25/310389525.db2.gz USRNEZFFOMYROM-CYBMUJFWSA-N 0 0 334.294 3.159 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)N1c3ccc([N+](=O)[O-])cc3C[C@H]1C)C2 ZINC000459993970 310578783 /nfs/dbraw/zinc/57/87/83/310578783.db2.gz YTHUGXMCVZMBTO-SJKOYZFVSA-N 0 0 338.363 3.185 10 5 EGBERN Cc1c(CC(=O)N2CCn3c(cc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000462557996 310601641 /nfs/dbraw/zinc/60/16/41/310601641.db2.gz MYQBVXOVVIJJSD-UHFFFAOYSA-N 0 0 349.390 3.443 10 5 EGBERN COC(=O)c1cc(NC[C@@]2(C)CCO[C@H]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000466637869 310656064 /nfs/dbraw/zinc/65/60/64/310656064.db2.gz RBBNENMWWPXFKG-FUHWJXTLSA-N 0 0 348.399 3.307 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(C)ccc1C ZINC000469867455 310712799 /nfs/dbraw/zinc/71/27/99/310712799.db2.gz WBUIAOCPQQZADB-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2N(C)C)c1 ZINC000471824614 310749295 /nfs/dbraw/zinc/74/92/95/310749295.db2.gz HHYFNZPUGXNIPA-UHFFFAOYSA-N 0 0 329.356 3.060 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000474388965 310792156 /nfs/dbraw/zinc/79/21/56/310792156.db2.gz CYQUDNNUAAKYMO-GMTAPVOTSA-N 0 0 346.836 3.303 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)NC/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000480727662 310899844 /nfs/dbraw/zinc/89/98/44/310899844.db2.gz DICSWEVNACQQLT-RMKNXTFCSA-N 0 0 346.408 3.203 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2n[nH]c(Cc3ccccc3)n2)n1 ZINC000481058599 310905208 /nfs/dbraw/zinc/90/52/08/310905208.db2.gz YBSXOXMJVJRAKT-UHFFFAOYSA-N 0 0 341.396 3.467 10 5 EGBERN C[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402545 310977103 /nfs/dbraw/zinc/97/71/03/310977103.db2.gz GRIAPYYNRXWCDV-BXUZGUMPSA-N 0 0 331.347 3.055 10 5 EGBERN Cc1c(Cc2noc(Cc3cccc(O)c3)n2)cccc1[N+](=O)[O-] ZINC000486069810 310987058 /nfs/dbraw/zinc/98/70/58/310987058.db2.gz XASZHTKCJQOIBG-UHFFFAOYSA-N 0 0 325.324 3.173 10 5 EGBERN O=C(NC1CC1)c1ccc(N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000486881161 311000966 /nfs/dbraw/zinc/00/09/66/311000966.db2.gz MBAYLCMTNCHKJW-LBPRGKRZSA-N 0 0 339.342 3.477 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486991492 311005877 /nfs/dbraw/zinc/00/58/77/311005877.db2.gz WORNUEUXDBZZMF-OAHLLOKOSA-N 0 0 334.416 3.273 10 5 EGBERN C[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000487720649 311035120 /nfs/dbraw/zinc/03/51/20/311035120.db2.gz NMPXWCLUTINYQS-QZTJIDSGSA-N 0 0 327.384 3.182 10 5 EGBERN CCc1cnc(CCNc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000488072417 311050231 /nfs/dbraw/zinc/05/02/31/311050231.db2.gz UVYXZNZDZNCGTB-UHFFFAOYSA-N 0 0 328.397 3.238 10 5 EGBERN Cc1cc(F)ccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488075877 311050275 /nfs/dbraw/zinc/05/02/75/311050275.db2.gz PCECJYGSEMDMOX-UHFFFAOYSA-N 0 0 345.374 3.421 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@H]1CCCC[C@H]1O ZINC000488092845 311051023 /nfs/dbraw/zinc/05/10/23/311051023.db2.gz SCQYTXMTJAJDHK-CXAGYDPISA-N 0 0 329.400 3.308 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1O ZINC000488119116 311051956 /nfs/dbraw/zinc/05/19/56/311051956.db2.gz BZCSCEAOMSGORR-BBRMVZONSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCOC2(CCCC2)C1 ZINC000488124157 311052371 /nfs/dbraw/zinc/05/23/71/311052371.db2.gz JTYNRMNADADIPR-ZDUSSCGKSA-N 0 0 327.384 3.469 10 5 EGBERN Cc1csc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000488358177 311062205 /nfs/dbraw/zinc/06/22/05/311062205.db2.gz QLXDZKQWOUMHSO-UHFFFAOYSA-N 0 0 327.749 3.031 10 5 EGBERN COC(=O)c1cnc(NCc2ccc(C3CC3)cc2F)c([N+](=O)[O-])c1 ZINC000488481869 311068040 /nfs/dbraw/zinc/06/80/40/311068040.db2.gz GTGSWPBJTXIRFO-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1 ZINC000489205539 311095604 /nfs/dbraw/zinc/09/56/04/311095604.db2.gz NBYYHLRLWRMJHC-HTQZYQBOSA-N 0 0 337.405 3.087 10 5 EGBERN CCOc1cc(CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492457958 311253332 /nfs/dbraw/zinc/25/33/32/311253332.db2.gz CGDXECPHTHKOFI-UHFFFAOYSA-N 0 0 341.411 3.316 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc(F)c(F)c(F)c2)c1 ZINC000504903977 312011892 /nfs/dbraw/zinc/01/18/92/312011892.db2.gz UDQANZLCKNQXCK-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000507834670 312083498 /nfs/dbraw/zinc/08/34/98/312083498.db2.gz CWZFBIUEJFUXCY-UHFFFAOYSA-N 0 0 341.335 3.464 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCc2ccccc2C1 ZINC000514686436 312238920 /nfs/dbraw/zinc/23/89/20/312238920.db2.gz BKOSBKDASYNZRH-ZDUSSCGKSA-N 0 0 346.333 3.089 10 5 EGBERN C[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000515185980 312270339 /nfs/dbraw/zinc/27/03/39/312270339.db2.gz GNSGYYCUKPAYML-NHYWBVRUSA-N 0 0 326.352 3.208 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccccn1 ZINC000516614111 312332983 /nfs/dbraw/zinc/33/29/83/312332983.db2.gz CDLHLBOVRFAIFA-INIZCTEOSA-N 0 0 347.321 3.174 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1cccc(F)c1 ZINC000518313982 312411350 /nfs/dbraw/zinc/41/13/50/312411350.db2.gz SUVQHDCXNDPNEC-UHFFFAOYSA-N 0 0 347.346 3.497 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000521593320 312551828 /nfs/dbraw/zinc/55/18/28/312551828.db2.gz WUGXCVWNNWCTMP-UHFFFAOYSA-N 0 0 334.397 3.427 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000521615707 312552807 /nfs/dbraw/zinc/55/28/07/312552807.db2.gz NZHDDEHNWGBCHT-SJORKVTESA-N 0 0 338.363 3.296 10 5 EGBERN Cn1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000521935713 312566318 /nfs/dbraw/zinc/56/63/18/312566318.db2.gz AOWOYDHVPJUMCJ-UHFFFAOYSA-N 0 0 328.246 3.214 10 5 EGBERN Cc1ccccc1-c1noc(=O)n1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522498173 312591529 /nfs/dbraw/zinc/59/15/29/312591529.db2.gz BMDGBRFPOURTHF-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000525041107 312693436 /nfs/dbraw/zinc/69/34/36/312693436.db2.gz FCOYTYZWPMSNSD-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633534 313693825 /nfs/dbraw/zinc/69/38/25/313693825.db2.gz OPQIKVVYKFQXOD-UHFFFAOYSA-N 0 0 332.747 3.470 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000531880909 313725517 /nfs/dbraw/zinc/72/55/17/313725517.db2.gz BPRFCMYQRMZJHT-GFCCVEGCSA-N 0 0 341.367 3.444 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000531882793 313726030 /nfs/dbraw/zinc/72/60/30/313726030.db2.gz OCXBOYXTVXTVSW-INIZCTEOSA-N 0 0 327.384 3.476 10 5 EGBERN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532387789 313792681 /nfs/dbraw/zinc/79/26/81/313792681.db2.gz OGUZVDIYQLUMSO-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CC(C)Oc1ccccc1[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000534310846 313969963 /nfs/dbraw/zinc/96/99/63/313969963.db2.gz FVLOOUBLIFJKOO-GFCCVEGCSA-N 0 0 341.371 3.020 10 5 EGBERN O=C(C/C=C\c1ccc(F)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000535483251 314048565 /nfs/dbraw/zinc/04/85/65/314048565.db2.gz LYTCHWKVNKERJP-IHWYPQMZSA-N 0 0 328.343 3.496 10 5 EGBERN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537590186 314192246 /nfs/dbraw/zinc/19/22/46/314192246.db2.gz ICESPCJNQBHNOP-BMIGLBTASA-N 0 0 349.774 3.149 10 5 EGBERN CSc1ccc(C)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000539782056 314336679 /nfs/dbraw/zinc/33/66/79/314336679.db2.gz LFXYXOIKNOSYCZ-UHFFFAOYSA-N 0 0 343.408 3.219 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CC=CCC2)c1C ZINC000541312953 314448795 /nfs/dbraw/zinc/44/87/95/314448795.db2.gz OXWLJZONPLOODE-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000542137919 314519752 /nfs/dbraw/zinc/51/97/52/314519752.db2.gz KCHFHXNINNIYSV-DYVFJYSZSA-N 0 0 325.368 3.196 10 5 EGBERN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cccc(Cl)c2O1 ZINC000544319460 314687204 /nfs/dbraw/zinc/68/72/04/314687204.db2.gz ZCUYVNLCSDHXDH-LLVKDONJSA-N 0 0 347.758 3.461 10 5 EGBERN O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000545816001 314783484 /nfs/dbraw/zinc/78/34/84/314783484.db2.gz WYYCPFOFMHDBBF-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN O=C(NC/C=C\c1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000548421434 315007605 /nfs/dbraw/zinc/00/76/05/315007605.db2.gz WYXYHWWTWOVXQV-TWGQIWQCSA-N 0 0 325.368 3.150 10 5 EGBERN O=C(NCc1ccc(-c2ccco2)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000548719890 315038651 /nfs/dbraw/zinc/03/86/51/315038651.db2.gz GIGLHAMMRLUXHT-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000553274074 315254882 /nfs/dbraw/zinc/25/48/82/315254882.db2.gz KCTHRCILMWIADJ-UHFFFAOYSA-N 0 0 344.352 3.438 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H]1C ZINC000557033262 315492358 /nfs/dbraw/zinc/49/23/58/315492358.db2.gz BBFYZVZCUIURNS-OCAPTIKFSA-N 0 0 327.178 3.289 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000558085249 315549299 /nfs/dbraw/zinc/54/92/99/315549299.db2.gz RLVYHELGAAVFGH-GHMZBOCLSA-N 0 0 326.343 3.358 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000558427522 315567520 /nfs/dbraw/zinc/56/75/20/315567520.db2.gz SWKAXELPDZVEHD-ZJUUUORDSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000560362784 315679688 /nfs/dbraw/zinc/67/96/88/315679688.db2.gz LYSFTZNUGDTIOG-UHFFFAOYSA-N 0 0 332.809 3.024 10 5 EGBERN CN(CCc1ccc(F)cc1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000561155163 315745051 /nfs/dbraw/zinc/74/50/51/315745051.db2.gz XXCSJOQFLKBJLJ-UHFFFAOYSA-N 0 0 332.360 3.418 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000561486579 315765523 /nfs/dbraw/zinc/76/55/23/315765523.db2.gz NIBUFYBWONGJQE-GOSISDBHSA-N 0 0 343.358 3.347 10 5 EGBERN Cc1nc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)nc2ccccc12 ZINC000562348766 315821888 /nfs/dbraw/zinc/82/18/88/315821888.db2.gz QHWZIGIRODKDBC-UHFFFAOYSA-N 0 0 346.346 3.210 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000563758504 316065202 /nfs/dbraw/zinc/06/52/02/316065202.db2.gz BTJJQSANHMRUOW-VXGBXAGGSA-N 0 0 330.388 3.059 10 5 EGBERN O=C(CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)N1CCCCCC1 ZINC000565947653 316393357 /nfs/dbraw/zinc/39/33/57/316393357.db2.gz YJSXWYXIQNPRRV-UHFFFAOYSA-N 0 0 346.431 3.073 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000567306757 316597439 /nfs/dbraw/zinc/59/74/39/316597439.db2.gz IKRICTSJZNGWCV-UHFFFAOYSA-N 0 0 349.346 3.442 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(CN3CCc4ccccc43)CC2)cn1 ZINC000568806304 316824394 /nfs/dbraw/zinc/82/43/94/316824394.db2.gz ZTOLDQHZVKYCBB-UHFFFAOYSA-N 0 0 338.411 3.269 10 5 EGBERN CC(C)Oc1nc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000570060815 317002961 /nfs/dbraw/zinc/00/29/61/317002961.db2.gz SQOMGRPZAUKMAD-OCCSQVGLSA-N 0 0 337.420 3.010 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000570109757 317008772 /nfs/dbraw/zinc/00/87/72/317008772.db2.gz WSGBTZALFCOYJD-RYUDHWBXSA-N 0 0 347.444 3.203 10 5 EGBERN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000570590769 317078273 /nfs/dbraw/zinc/07/82/73/317078273.db2.gz BIZXYWYTWFBJIV-GFCCVEGCSA-N 0 0 343.236 3.004 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC1CCC1 ZINC000571491893 317205492 /nfs/dbraw/zinc/20/54/92/317205492.db2.gz DADLTSBRXYFLOD-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN COCC1(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000572756000 317387491 /nfs/dbraw/zinc/38/74/91/317387491.db2.gz GHHSIXDNGTZKSX-UHFFFAOYSA-N 0 0 327.768 3.186 10 5 EGBERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000128818744 455085077 /nfs/dbraw/zinc/08/50/77/455085077.db2.gz ANJGRODHUSEDQN-AWEZNQCLSA-N 0 0 338.285 3.498 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000050420993 323214168 /nfs/dbraw/zinc/21/41/68/323214168.db2.gz LFZOMZZTBOKGBR-UHFFFAOYSA-N 0 0 334.397 3.383 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974210 323324194 /nfs/dbraw/zinc/32/41/94/323324194.db2.gz APBCVQCSAUROTE-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN CCN(c1cccc(F)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178642169 323359416 /nfs/dbraw/zinc/35/94/16/323359416.db2.gz TUNUJZRIDJUIQU-UHFFFAOYSA-N 0 0 338.360 3.090 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnccn1 ZINC000181390768 323480235 /nfs/dbraw/zinc/48/02/35/323480235.db2.gz DIXLIQDYSGQJLI-UHFFFAOYSA-N 0 0 346.412 3.158 10 5 EGBERN C[C@@H]1CCn2ncc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C1 ZINC000351314106 324223767 /nfs/dbraw/zinc/22/37/67/324223767.db2.gz AXFGRSIBSQJINE-SNVBAGLBSA-N 0 0 325.328 3.091 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000578605660 324992166 /nfs/dbraw/zinc/99/21/66/324992166.db2.gz AFDGTAAHTAPFTM-ONGXEEELSA-N 0 0 345.321 3.440 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@H](Cc2ccccc2)C1 ZINC000579127942 325068068 /nfs/dbraw/zinc/06/80/68/325068068.db2.gz KSGQCSOARPPTJN-OAHLLOKOSA-N 0 0 328.368 3.051 10 5 EGBERN CCc1ccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000580477163 325255734 /nfs/dbraw/zinc/25/57/34/325255734.db2.gz ZZCUGDSPYJKDHF-UHFFFAOYSA-N 0 0 348.349 3.337 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](O)CC12CCC2 ZINC000581601065 325375123 /nfs/dbraw/zinc/37/51/23/325375123.db2.gz VXUVTUDBOWPHIC-NSHDSACASA-N 0 0 330.306 3.497 10 5 EGBERN COc1cc(NCc2ccc3cnn(C)c3c2)c([N+](=O)[O-])cc1F ZINC000583968479 325565487 /nfs/dbraw/zinc/56/54/87/325565487.db2.gz UGNIGIWHNBRFNE-UHFFFAOYSA-N 0 0 330.319 3.241 10 5 EGBERN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(C)c1 ZINC000189595511 455221560 /nfs/dbraw/zinc/22/15/60/455221560.db2.gz QDXFWSCVUHFVNZ-QGZVFWFLSA-N 0 0 346.358 3.355 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C)CCCC2 ZINC000173059757 455226837 /nfs/dbraw/zinc/22/68/37/455226837.db2.gz AJCPEXYSFJDVEC-UHFFFAOYSA-N 0 0 348.428 3.377 10 5 EGBERN CC12CC(C1)CN2c1ccc(I)cc1[N+](=O)[O-] ZINC000596575590 459683476 /nfs/dbraw/zinc/68/34/76/459683476.db2.gz VGPSYCINUGDZAM-UHFFFAOYSA-N 0 0 344.152 3.188 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173562932 455306599 /nfs/dbraw/zinc/30/65/99/455306599.db2.gz PYEGGMPLLHFHAC-MRXNPFEDSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000007975901 453142768 /nfs/dbraw/zinc/14/27/68/453142768.db2.gz MQZHKMTZXAVUOV-UHFFFAOYSA-N 0 0 337.763 3.220 10 5 EGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccn1 ZINC000010533652 453295561 /nfs/dbraw/zinc/29/55/61/453295561.db2.gz GOPHBDSIHSCVMX-UHFFFAOYSA-N 0 0 329.356 3.193 10 5 EGBERN CCc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000174068382 455356413 /nfs/dbraw/zinc/35/64/13/455356413.db2.gz IVINDCHMHYENDP-UHFFFAOYSA-N 0 0 333.775 3.478 10 5 EGBERN CN(C)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000011749765 453333546 /nfs/dbraw/zinc/33/35/46/453333546.db2.gz LWDYQEASPIZMBO-UHFFFAOYSA-N 0 0 339.395 3.122 10 5 EGBERN O=C(CSc1nnc(C2CCCC2)[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000012103545 453345670 /nfs/dbraw/zinc/34/56/70/453345670.db2.gz LLUDTTBCPBGJIM-UHFFFAOYSA-N 0 0 347.400 3.101 10 5 EGBERN CSc1nc(C)c(CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000012778802 453402941 /nfs/dbraw/zinc/40/29/41/453402941.db2.gz CXGVJJQEHKYLNQ-UHFFFAOYSA-N 0 0 346.412 3.295 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015612209 453579976 /nfs/dbraw/zinc/57/99/76/453579976.db2.gz KLNSSAQSNWFEAV-OAHLLOKOSA-N 0 0 349.726 3.166 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600807009 460610797 /nfs/dbraw/zinc/61/07/97/460610797.db2.gz UJEZCLXPYMNCAA-QAVQXKDTSA-N 0 0 328.372 3.290 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCC12CC2 ZINC000600804172 460611072 /nfs/dbraw/zinc/61/10/72/460611072.db2.gz LWVKLNGGDXTXQZ-AWEZNQCLSA-N 0 0 327.384 3.246 10 5 EGBERN O=C(NCCC1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031164279 453840659 /nfs/dbraw/zinc/84/06/59/453840659.db2.gz NJEVIYRSIXKTHL-UHFFFAOYSA-N 0 0 346.431 3.007 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066712922 453865840 /nfs/dbraw/zinc/86/58/40/453865840.db2.gz OPQVDXAVFZMNID-GUYCJALGSA-N 0 0 326.352 3.197 10 5 EGBERN O=C(c1cc(F)ccc1F)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066809235 453875779 /nfs/dbraw/zinc/87/57/79/453875779.db2.gz BMKAEDBDQIRGER-UHFFFAOYSA-N 0 0 347.321 3.367 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000066810791 453876051 /nfs/dbraw/zinc/87/60/51/453876051.db2.gz NWLXZPADFSILKI-LLVKDONJSA-N 0 0 334.326 3.206 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000053577861 453888736 /nfs/dbraw/zinc/88/87/36/453888736.db2.gz CYBDWOMOTZETDY-NSHDSACASA-N 0 0 331.347 3.137 10 5 EGBERN O=C(NCC1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067019378 453894665 /nfs/dbraw/zinc/89/46/65/453894665.db2.gz XRSQWGVGZWACPO-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000075499056 453898317 /nfs/dbraw/zinc/89/83/17/453898317.db2.gz ALYUYLQIAVHWCG-LLVKDONJSA-N 0 0 347.400 3.078 10 5 EGBERN Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000075679930 453917426 /nfs/dbraw/zinc/91/74/26/453917426.db2.gz HFICJCVTMDKBNO-AWEZNQCLSA-N 0 0 343.383 3.015 10 5 EGBERN CC(C)COC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000054321875 453923290 /nfs/dbraw/zinc/92/32/90/453923290.db2.gz UPDFSQFIPIRLSE-CQSZACIVSA-N 0 0 349.431 3.059 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1ccccc1 ZINC000067516097 453937433 /nfs/dbraw/zinc/93/74/33/453937433.db2.gz MGKOIQVEJLQSDU-GJZGRUSLSA-N 0 0 326.352 3.036 10 5 EGBERN CC(C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000067650121 453953394 /nfs/dbraw/zinc/95/33/94/453953394.db2.gz BRHFJFUYAIOSQH-SECBINFHSA-N 0 0 334.294 3.153 10 5 EGBERN COc1ccc(CC(=O)N(Cc2ccsc2)C2CC2)cc1[N+](=O)[O-] ZINC000067820452 453969560 /nfs/dbraw/zinc/96/95/60/453969560.db2.gz DJDKJRQILXQQHZ-UHFFFAOYSA-N 0 0 346.408 3.399 10 5 EGBERN C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000055467255 453987352 /nfs/dbraw/zinc/98/73/52/453987352.db2.gz HTDQQGJZUBSEDA-LLVKDONJSA-N 0 0 346.387 3.085 10 5 EGBERN CCCC(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809932 454011164 /nfs/dbraw/zinc/01/11/64/454011164.db2.gz HHALCSSPVNWSRM-HIFRSBDPSA-N 0 0 348.399 3.299 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068292690 454014694 /nfs/dbraw/zinc/01/46/94/454014694.db2.gz GAMNXSSFBRZJHZ-KCXRBIIJSA-N 0 0 340.383 3.122 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1[S@](=O)C[C@H]1CCCCO1 ZINC000085234520 454020146 /nfs/dbraw/zinc/02/01/46/454020146.db2.gz OUIGRKUGELHIQT-DGIBIBHMSA-N 0 0 348.218 3.034 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068404588 454023601 /nfs/dbraw/zinc/02/36/01/454023601.db2.gz UNWYUIVLOQDHIZ-SFYZZRBRSA-N 0 0 343.427 3.357 10 5 EGBERN COc1cc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000086963738 454053239 /nfs/dbraw/zinc/05/32/39/454053239.db2.gz HCPAKASZRPEPFR-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1cc(F)ccc1F ZINC000087357250 454079340 /nfs/dbraw/zinc/07/93/40/454079340.db2.gz OMQQTGFBQQVMDN-UHFFFAOYSA-N 0 0 334.322 3.165 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077295160 454087910 /nfs/dbraw/zinc/08/79/10/454087910.db2.gz BRMRUDRLXOWKGP-LBPRGKRZSA-N 0 0 332.381 3.445 10 5 EGBERN Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)n1 ZINC000057828095 454149108 /nfs/dbraw/zinc/14/91/08/454149108.db2.gz KQDMVDKLLKWCRA-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000089601902 454166518 /nfs/dbraw/zinc/16/65/18/454166518.db2.gz CBAYTNLGZZMAQA-GOSISDBHSA-N 0 0 344.367 3.025 10 5 EGBERN COCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccc1F ZINC000078063683 454184812 /nfs/dbraw/zinc/18/48/12/454184812.db2.gz BTANYTBJGDTJSP-NSHDSACASA-N 0 0 344.342 3.472 10 5 EGBERN CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000089745961 454188160 /nfs/dbraw/zinc/18/81/60/454188160.db2.gz DKNFLXOETFWNIM-LBPRGKRZSA-N 0 0 333.369 3.179 10 5 EGBERN COc1cc(NCc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000095412152 454206030 /nfs/dbraw/zinc/20/60/30/454206030.db2.gz DLZCWBZAMMLXLI-HSZRJFAPSA-N 0 0 338.360 3.092 10 5 EGBERN COc1cccc([C@@H](O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000095438779 454212439 /nfs/dbraw/zinc/21/24/39/454212439.db2.gz UDRYUHRHUYOKJZ-SFHVURJKSA-N 0 0 339.351 3.201 10 5 EGBERN O=c1sc2ccccc2n1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000089873304 454222804 /nfs/dbraw/zinc/22/28/04/454222804.db2.gz PMMQHUUOZFHYNI-UHFFFAOYSA-N 0 0 327.321 3.161 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N(CCC(F)(F)F)C1CCC1 ZINC000095997811 454257881 /nfs/dbraw/zinc/25/78/81/454257881.db2.gz DSXWKEKPYLAVSG-UHFFFAOYSA-N 0 0 331.294 3.124 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090466182 454309739 /nfs/dbraw/zinc/30/97/39/454309739.db2.gz VNFASROXNPXWAB-HNNXBMFYSA-N 0 0 342.351 3.134 10 5 EGBERN CC[C@H](NC(=O)N(CCOC)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090688270 454336358 /nfs/dbraw/zinc/33/63/58/454336358.db2.gz SDFOCAOKHPLCAQ-INIZCTEOSA-N 0 0 337.420 3.360 10 5 EGBERN Cc1sc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047189063 454338280 /nfs/dbraw/zinc/33/82/80/454338280.db2.gz ODIQZTLBROHQEW-ZWNOBZJWSA-N 0 0 326.418 3.290 10 5 EGBERN CCC[C@H](C)[C@@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133156386 454397719 /nfs/dbraw/zinc/39/77/19/454397719.db2.gz WUEFMMXMFDHOEA-STQMWFEESA-N 0 0 330.388 3.008 10 5 EGBERN COCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000097712482 454445536 /nfs/dbraw/zinc/44/55/36/454445536.db2.gz LATSZMBYHAHMCD-UHFFFAOYSA-N 0 0 332.356 3.385 10 5 EGBERN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000133655750 454451070 /nfs/dbraw/zinc/45/10/70/454451070.db2.gz VCGIPEPKCQOKQJ-INIZCTEOSA-N 0 0 344.367 3.272 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1C ZINC000101947962 454488524 /nfs/dbraw/zinc/48/85/24/454488524.db2.gz JZCPJFYUXYVUFL-STQMWFEESA-N 0 0 336.779 3.232 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000134175715 454512179 /nfs/dbraw/zinc/51/21/79/454512179.db2.gz PKYVSCWGGWSRIN-JKSUJKDBSA-N 0 0 332.400 3.405 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000080120452 454537365 /nfs/dbraw/zinc/53/73/65/454537365.db2.gz UPAWAXSNRMRIJW-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134576471 454563158 /nfs/dbraw/zinc/56/31/58/454563158.db2.gz BLNMVUKDSRESAS-QWRGUYRKSA-N 0 0 332.447 3.246 10 5 EGBERN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000050312528 454580084 /nfs/dbraw/zinc/58/00/84/454580084.db2.gz CHEIUDVDIMQELX-IINYFYTJSA-N 0 0 347.396 3.016 10 5 EGBERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000074809511 454638984 /nfs/dbraw/zinc/63/89/84/454638984.db2.gz FWQYHEGVKAWOLH-ZFWWWQNUSA-N 0 0 348.790 3.358 10 5 EGBERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000074809509 454639402 /nfs/dbraw/zinc/63/94/02/454639402.db2.gz FWQYHEGVKAWOLH-DZGCQCFKSA-N 0 0 348.790 3.358 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1c(C)nn(C)c1C ZINC000081259450 454699755 /nfs/dbraw/zinc/69/97/55/454699755.db2.gz HIWMWIWJIYJVLO-HNNXBMFYSA-N 0 0 330.388 3.135 10 5 EGBERN Nc1nc2[nH]c(-c3c4ccccc4cc4ccccc43)nc2c(=O)[nH]1 ZINC000137040273 454766735 /nfs/dbraw/zinc/76/67/35/454766735.db2.gz LAEBNTWVBOBUGV-UHFFFAOYSA-N 0 0 327.347 3.202 10 5 EGBERN Cc1cc(C)cc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000153424546 454792432 /nfs/dbraw/zinc/79/24/32/454792432.db2.gz YAJZLISLZNUVAD-CQSZACIVSA-N 0 0 348.424 3.392 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000139014289 454801234 /nfs/dbraw/zinc/80/12/34/454801234.db2.gz AJDAFSXCTWACPH-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125265774 454809042 /nfs/dbraw/zinc/80/90/42/454809042.db2.gz CNJGBSGOIDHEDJ-ZYHUDNBSSA-N 0 0 344.458 3.084 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000142673230 454838269 /nfs/dbraw/zinc/83/82/69/454838269.db2.gz DXWMBXZRAJVCTF-CYBMUJFWSA-N 0 0 326.418 3.184 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000111152678 454857137 /nfs/dbraw/zinc/85/71/37/454857137.db2.gz CERCSHJPTCMSHE-KZULUSFZSA-N 0 0 325.368 3.056 10 5 EGBERN O=c1nc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn32)cc[nH]1 ZINC000149936251 454879469 /nfs/dbraw/zinc/87/94/69/454879469.db2.gz YEVMPBRCQUROEX-UHFFFAOYSA-N 0 0 333.307 3.072 10 5 EGBERN CC[C@@H](NC(=O)COc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177798878 454906980 /nfs/dbraw/zinc/90/69/80/454906980.db2.gz GVJHSLXSVZSDKV-QGZVFWFLSA-N 0 0 344.367 3.250 10 5 EGBERN COc1cc(C(=O)NC[C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000127360845 454957126 /nfs/dbraw/zinc/95/71/26/454957126.db2.gz OQGQKFLOKJIMBM-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128462236 455058787 /nfs/dbraw/zinc/05/87/87/455058787.db2.gz GYOIDVNEKXFSNP-OAHLLOKOSA-N 0 0 328.416 3.441 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179726129 455070928 /nfs/dbraw/zinc/07/09/28/455070928.db2.gz OESYRLKSCBIMJM-UHFFFAOYSA-N 0 0 349.456 3.017 10 5 EGBERN Cc1ccc(-c2cnc(Cn3cc([N+](=O)[O-])c(C)cc3=O)o2)cc1 ZINC000128643328 455074399 /nfs/dbraw/zinc/07/43/99/455074399.db2.gz FGBYWKQYVUSTOA-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN COCc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130041189 455139465 /nfs/dbraw/zinc/13/94/65/455139465.db2.gz YUKCBELRFOSDIC-UHFFFAOYSA-N 0 0 339.351 3.153 10 5 EGBERN COc1ccccc1CC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000263939664 455168869 /nfs/dbraw/zinc/16/88/69/455168869.db2.gz XTQCOUUEXBAIQT-UHFFFAOYSA-N 0 0 344.415 3.104 10 5 EGBERN CCOC(=O)c1csc(CCNc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000190206372 455287864 /nfs/dbraw/zinc/28/78/64/455287864.db2.gz AFSROCWFGXYBMN-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN C[C@@](O)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 ZINC000190465855 455324286 /nfs/dbraw/zinc/32/42/86/455324286.db2.gz JUJLTSGJOZBLCX-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN CCO[C@@H](C)c1noc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557822 455355751 /nfs/dbraw/zinc/35/57/51/455355751.db2.gz OHGUSFKFSAVIQE-FZMZJTMJSA-N 0 0 334.376 3.316 10 5 EGBERN CSc1ccc(C(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000181630283 455364907 /nfs/dbraw/zinc/36/49/07/455364907.db2.gz HQQJZQRMPCZXGF-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN Cc1sc(C(=O)N2CCN(C)c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000174454647 455392493 /nfs/dbraw/zinc/39/24/93/455392493.db2.gz VTWGTRRVBBHPNU-UHFFFAOYSA-N 0 0 335.360 3.200 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000184564423 455404101 /nfs/dbraw/zinc/40/41/01/455404101.db2.gz QEFMVEAEHSPBGV-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN COc1cc(C(=O)Nc2nccn2CC(C)C)cc([N+](=O)[O-])c1C ZINC000191022867 455426231 /nfs/dbraw/zinc/42/62/31/455426231.db2.gz ONJIQZFEHKVYAP-UHFFFAOYSA-N 0 0 332.360 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000191499224 455490545 /nfs/dbraw/zinc/49/05/45/455490545.db2.gz RNJKGQWAFORCSO-CYBMUJFWSA-N 0 0 348.790 3.442 10 5 EGBERN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000160911527 455512306 /nfs/dbraw/zinc/51/23/06/455512306.db2.gz OPYDZHAMCQPWNU-LURJTMIESA-N 0 0 329.143 3.116 10 5 EGBERN COCCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000185274051 455532683 /nfs/dbraw/zinc/53/26/83/455532683.db2.gz MKADZGBHDOPNRD-UHFFFAOYSA-N 0 0 345.193 3.359 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000247066457 455554757 /nfs/dbraw/zinc/55/47/57/455554757.db2.gz VNAYCAPIENXQSA-ILWJIGKKSA-N 0 0 344.314 3.338 10 5 EGBERN C[C@H](C(=O)N1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182625073 455555381 /nfs/dbraw/zinc/55/53/81/455555381.db2.gz CGWHUYQNHSTQJQ-NSHDSACASA-N 0 0 330.315 3.263 10 5 EGBERN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185488445 455565709 /nfs/dbraw/zinc/56/57/09/455565709.db2.gz SMHVVQNWEPMDGX-GFCCVEGCSA-N 0 0 341.346 3.165 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163058 455568255 /nfs/dbraw/zinc/56/82/55/455568255.db2.gz SCYBGZRNCYVMOU-FZKQIMNGSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000192465126 455624061 /nfs/dbraw/zinc/62/40/61/455624061.db2.gz ZBLYLSAQTVOKPY-UHFFFAOYSA-N 0 0 338.323 3.133 10 5 EGBERN CCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000271419050 455629384 /nfs/dbraw/zinc/62/93/84/455629384.db2.gz POWUIPKKHZNTIH-CYBMUJFWSA-N 0 0 330.388 3.332 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277782582 455665276 /nfs/dbraw/zinc/66/52/76/455665276.db2.gz NWNZXLSWLHHIMZ-SCDSUCTJSA-N 0 0 332.322 3.291 10 5 EGBERN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000185991302 455669821 /nfs/dbraw/zinc/66/98/21/455669821.db2.gz OANLTKSDYHLFCW-VIFPVBQESA-N 0 0 330.369 3.066 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccs2)C1 ZINC000268423970 455679814 /nfs/dbraw/zinc/67/98/14/455679814.db2.gz YIOKWNBARSEQGS-HNNXBMFYSA-N 0 0 334.397 3.381 10 5 EGBERN CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000192781274 455690979 /nfs/dbraw/zinc/69/09/79/455690979.db2.gz GIVSSUGCYDRFJS-CQSZACIVSA-N 0 0 334.397 3.472 10 5 EGBERN COc1ccc(-c2noc(-c3cccc(SC)c3[N+](=O)[O-])n2)cn1 ZINC000186106543 455694501 /nfs/dbraw/zinc/69/45/01/455694501.db2.gz ZZTIFMGQHXSQKS-UHFFFAOYSA-N 0 0 344.352 3.437 10 5 EGBERN CCNc1ccc(Cl)cc1NC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192855130 455707538 /nfs/dbraw/zinc/70/75/38/455707538.db2.gz XYXNEZLKYZECLV-UHFFFAOYSA-N 0 0 337.767 3.218 10 5 EGBERN Cc1cc(NCc2cn(C)nc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000292681691 455730443 /nfs/dbraw/zinc/73/04/43/455730443.db2.gz RAHJVGYUNITKPH-UHFFFAOYSA-N 0 0 332.257 3.407 10 5 EGBERN C[C@@H](C[C@@H](O)c1cccs1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278160831 455773333 /nfs/dbraw/zinc/77/33/33/455773333.db2.gz AIMWIPHTYDYXJQ-TVQRCGJNSA-N 0 0 332.385 3.457 10 5 EGBERN COC1(c2noc(/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000278205310 455786705 /nfs/dbraw/zinc/78/67/05/455786705.db2.gz NJMVRTOXXZFLKH-VAWYXSNFSA-N 0 0 345.355 3.190 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCSC[C@H](C)C1 ZINC000278274584 455803471 /nfs/dbraw/zinc/80/34/71/455803471.db2.gz FQESHPVDAFUQKG-SECBINFHSA-N 0 0 328.821 3.382 10 5 EGBERN Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000194210760 455816786 /nfs/dbraw/zinc/81/67/86/455816786.db2.gz CUYNIRLGDAVASI-UHFFFAOYSA-N 0 0 335.367 3.392 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278357627 455827044 /nfs/dbraw/zinc/82/70/44/455827044.db2.gz PNBANOCFZAAQCI-WBMJQRKESA-N 0 0 336.391 3.248 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000253419860 455843105 /nfs/dbraw/zinc/84/31/05/455843105.db2.gz ICQCBKGTAISFDK-CQSZACIVSA-N 0 0 340.383 3.131 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H](c2nccs2)C1 ZINC000255498873 455868526 /nfs/dbraw/zinc/86/85/26/455868526.db2.gz PYWGQQMJFFMTQD-UYWPIULCSA-N 0 0 331.397 3.138 10 5 EGBERN CN(CCCCCO)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000279617552 455869040 /nfs/dbraw/zinc/86/90/40/455869040.db2.gz XOWHTVLMRJTHEQ-UHFFFAOYSA-N 0 0 338.407 3.328 10 5 EGBERN CCC1(CC)CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000187566867 455926718 /nfs/dbraw/zinc/92/67/18/455926718.db2.gz STNQPSFPMZSBNA-ISGGHPHESA-N 0 0 336.457 3.231 10 5 EGBERN CC(C)C[C@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296418641 455933219 /nfs/dbraw/zinc/93/32/19/455933219.db2.gz LIAZIIBLFVJCSL-NSHDSACASA-N 0 0 342.359 3.375 10 5 EGBERN O=C(Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000217843520 456033735 /nfs/dbraw/zinc/03/37/35/456033735.db2.gz SFGCSFANEXYOJE-UHFFFAOYSA-N 0 0 347.127 3.023 10 5 EGBERN Cc1cccc([C@H]2CCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000270770629 456035299 /nfs/dbraw/zinc/03/52/99/456035299.db2.gz HTRYVEDHSMRBBS-OAHLLOKOSA-N 0 0 342.399 3.313 10 5 EGBERN CO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 ZINC000280712062 456036015 /nfs/dbraw/zinc/03/60/15/456036015.db2.gz MMIDDAARQGKUJH-LBPRGKRZSA-N 0 0 343.177 3.029 10 5 EGBERN CC(=O)c1cc(N2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000286558292 456049217 /nfs/dbraw/zinc/04/92/17/456049217.db2.gz URMSITJWFSOPIY-UHFFFAOYSA-N 0 0 325.162 3.286 10 5 EGBERN CC(C)n1ccnc1Sc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601101047 460709235 /nfs/dbraw/zinc/70/92/35/460709235.db2.gz GQUHLPOBVLZRJY-UHFFFAOYSA-N 0 0 335.311 3.276 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270981899 456086051 /nfs/dbraw/zinc/08/60/51/456086051.db2.gz ITXULZONSOKRIW-GWCFXTLKSA-N 0 0 326.418 3.288 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000297008263 456090047 /nfs/dbraw/zinc/09/00/47/456090047.db2.gz SCMBGWRNAFVSLR-CMPLNLGQSA-N 0 0 330.306 3.327 10 5 EGBERN CCN(CC)C(=O)c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601101537 460710478 /nfs/dbraw/zinc/71/04/78/460710478.db2.gz ZHWRWLQEFXTRMU-UHFFFAOYSA-N 0 0 332.335 3.355 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCC(=O)Nc2ccccc2)c1 ZINC000301435921 456114824 /nfs/dbraw/zinc/11/48/24/456114824.db2.gz JUJLJPBDMAFUKM-UHFFFAOYSA-N 0 0 333.319 3.183 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCc2sccc2C1 ZINC000601112725 460714796 /nfs/dbraw/zinc/71/47/96/460714796.db2.gz BNAQKHJDHIOADF-UHFFFAOYSA-N 0 0 346.334 3.361 10 5 EGBERN Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301581906 456151237 /nfs/dbraw/zinc/15/12/37/456151237.db2.gz PWJHRDHJJJWZHB-LBPRGKRZSA-N 0 0 339.823 3.298 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301629693 456168176 /nfs/dbraw/zinc/16/81/76/456168176.db2.gz SEOWHTSYLUTEQY-SNVBAGLBSA-N 0 0 336.754 3.473 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ncc(F)cc2[N+](=O)[O-])cs1 ZINC000601121312 460718270 /nfs/dbraw/zinc/71/82/70/460718270.db2.gz OLWGUZORDZDPCP-SECBINFHSA-N 0 0 340.380 3.319 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000301720542 456198051 /nfs/dbraw/zinc/19/80/51/456198051.db2.gz MJIBSYYCOOMCRK-MEBBXXQBSA-N 0 0 342.392 3.209 10 5 EGBERN COc1cc(C)ccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601129604 460722882 /nfs/dbraw/zinc/72/28/82/460722882.db2.gz UPZGUJFMYRBQFH-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301811942 456220404 /nfs/dbraw/zinc/22/04/04/456220404.db2.gz XVRRYMSTVFZVEU-PWSUYJOCSA-N 0 0 344.458 3.084 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCSc3ccccc3)nn21 ZINC000301935709 456254562 /nfs/dbraw/zinc/25/45/62/456254562.db2.gz RBWWJTXGRYCLMH-UHFFFAOYSA-N 0 0 329.385 3.232 10 5 EGBERN CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601129918 460722041 /nfs/dbraw/zinc/72/20/41/460722041.db2.gz OJXBMLVWDNSVIH-NSHDSACASA-N 0 0 339.367 3.077 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000301982155 456264377 /nfs/dbraw/zinc/26/43/77/456264377.db2.gz AGATZTFJHWJVRR-QAPCUYQASA-N 0 0 328.368 3.277 10 5 EGBERN C[C@H](c1cccc(Cl)c1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988814 456265358 /nfs/dbraw/zinc/26/53/58/456265358.db2.gz LPKWPXILWRGMQA-SNVBAGLBSA-N 0 0 331.763 3.488 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000302004564 456267469 /nfs/dbraw/zinc/26/74/69/456267469.db2.gz KIKFYXCFZJXTOY-OAHLLOKOSA-N 0 0 346.358 3.190 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCCN(c2ccccc2)C1 ZINC000302019629 456270048 /nfs/dbraw/zinc/27/00/48/456270048.db2.gz DOMAQAWIXSKNBY-HNNXBMFYSA-N 0 0 327.384 3.168 10 5 EGBERN CN(c1ccccc1)C1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302075100 456280707 /nfs/dbraw/zinc/28/07/07/456280707.db2.gz XMQJEMMFVRHBDV-UHFFFAOYSA-N 0 0 341.411 3.192 10 5 EGBERN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n2)cc1 ZINC000352762201 456283167 /nfs/dbraw/zinc/28/31/67/456283167.db2.gz DPFHMKOBOCKWAN-UHFFFAOYSA-N 0 0 344.352 3.307 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ncc3ccccn32)c1 ZINC000302106842 456289109 /nfs/dbraw/zinc/28/91/09/456289109.db2.gz SIVPSMJMUHOQIV-UHFFFAOYSA-N 0 0 329.337 3.180 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342909928 456306322 /nfs/dbraw/zinc/30/63/22/456306322.db2.gz HFXONWOYTRYXDU-UHFFFAOYSA-N 0 0 344.396 3.237 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1C ZINC000337037957 456323102 /nfs/dbraw/zinc/32/31/02/456323102.db2.gz IRZBVKSYWRDICW-GFCCVEGCSA-N 0 0 348.371 3.020 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCOC(C)C ZINC000275870429 456338521 /nfs/dbraw/zinc/33/85/21/456338521.db2.gz OINRZRRYNTWGNB-UHFFFAOYSA-N 0 0 328.796 3.444 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NC1CCN(c3ccccn3)CC1)CCN2 ZINC000302393160 456339476 /nfs/dbraw/zinc/33/94/76/456339476.db2.gz CKFYVEVYJWITQS-UHFFFAOYSA-N 0 0 339.399 3.039 10 5 EGBERN C[C@@H]1C[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281880297 456347705 /nfs/dbraw/zinc/34/77/05/456347705.db2.gz OEUAKJCCYRYAED-ILWJIGKKSA-N 0 0 344.209 3.368 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOCC12CCCC2 ZINC000275917596 456350293 /nfs/dbraw/zinc/35/02/93/456350293.db2.gz XQMRQYGSMLCBGK-UHFFFAOYSA-N 0 0 338.791 3.342 10 5 EGBERN C[C@H](CN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601142269 460729563 /nfs/dbraw/zinc/72/95/63/460729563.db2.gz PLCMCUZOBLTXDU-SSDOTTSWSA-N 0 0 349.338 3.044 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3c(c2)CCC3=O)c1 ZINC000302569637 456360914 /nfs/dbraw/zinc/36/09/14/456360914.db2.gz YKGBUFASHRLFCI-UHFFFAOYSA-N 0 0 327.292 3.303 10 5 EGBERN COc1cc2c(cc1F)ncnc2NCCc1ccc([N+](=O)[O-])cc1 ZINC000302579965 456362256 /nfs/dbraw/zinc/36/22/56/456362256.db2.gz SEIPVCRVPKBWTE-UHFFFAOYSA-N 0 0 342.330 3.340 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cn1 ZINC000343041469 456368573 /nfs/dbraw/zinc/36/85/73/456368573.db2.gz YTTOEFKNGPSIQB-UHFFFAOYSA-N 0 0 337.788 3.052 10 5 EGBERN O=C1CCCN1CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000298193236 456385512 /nfs/dbraw/zinc/38/55/12/456385512.db2.gz BASOVTSUMABVOE-UHFFFAOYSA-N 0 0 331.294 3.038 10 5 EGBERN COC(=O)c1cnc(NC[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000302749509 456391154 /nfs/dbraw/zinc/39/11/54/456391154.db2.gz GRESUNXFQGDULU-LBPRGKRZSA-N 0 0 329.356 3.300 10 5 EGBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302766867 456393588 /nfs/dbraw/zinc/39/35/88/456393588.db2.gz LREFXBDBTIUOJV-HNNXBMFYSA-N 0 0 347.802 3.360 10 5 EGBERN CC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000352989998 456431305 /nfs/dbraw/zinc/43/13/05/456431305.db2.gz MWEXSDRDKDEICG-HNNXBMFYSA-N 0 0 342.399 3.468 10 5 EGBERN CSc1ccc(OCCN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352996606 456435282 /nfs/dbraw/zinc/43/52/82/456435282.db2.gz ILNXRLWWLDOXFZ-UHFFFAOYSA-N 0 0 345.424 3.149 10 5 EGBERN C[C@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000337628128 456437398 /nfs/dbraw/zinc/43/73/98/456437398.db2.gz LWLMMOAYYNMQET-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN COCCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298394056 456444303 /nfs/dbraw/zinc/44/43/03/456444303.db2.gz STODRXIADZYLQM-UHFFFAOYSA-N 0 0 348.424 3.296 10 5 EGBERN CC1(C)CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000343183093 456457013 /nfs/dbraw/zinc/45/70/13/456457013.db2.gz OSVZDRBOVIPVTE-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000276430403 456478668 /nfs/dbraw/zinc/47/86/68/456478668.db2.gz POGLLTXKPLSXOW-XJKSGUPXSA-N 0 0 349.431 3.472 10 5 EGBERN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000343406139 456600050 /nfs/dbraw/zinc/60/00/50/456600050.db2.gz QEUDQLZPRKNIAJ-GFCCVEGCSA-N 0 0 342.399 3.304 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)cc1[N+](=O)[O-] ZINC000340655737 456604461 /nfs/dbraw/zinc/60/44/61/456604461.db2.gz JRYIJTGVGUTPDP-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000299268909 456646663 /nfs/dbraw/zinc/64/66/63/456646663.db2.gz IHYKPDNPAKBTDO-UHFFFAOYSA-N 0 0 333.413 3.455 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])c(C)n2)cs1 ZINC000348356661 456646733 /nfs/dbraw/zinc/64/67/33/456646733.db2.gz YBALLANBZQTSBY-NSHDSACASA-N 0 0 336.417 3.489 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000338105972 456661818 /nfs/dbraw/zinc/66/18/18/456661818.db2.gz GIVNVPIXBFPEHS-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN O=C(NCc1ccccc1C(F)(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000326791988 456699889 /nfs/dbraw/zinc/69/98/89/456699889.db2.gz XPWDFNCNJINLQA-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN CC(C)N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000291774113 456752297 /nfs/dbraw/zinc/75/22/97/456752297.db2.gz UBDOFWBNOXUYEM-GXTWGEPZSA-N 0 0 338.429 3.101 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2cccnc2)cc1C(F)(F)F ZINC000340931027 456768078 /nfs/dbraw/zinc/76/80/78/456768078.db2.gz JQOOHAPYYFYVKT-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCCc4sccc43)cc2N1 ZINC000301201214 456820476 /nfs/dbraw/zinc/82/04/76/456820476.db2.gz WRQBFVQDMPICDC-SNVBAGLBSA-N 0 0 345.380 3.477 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000338450489 456828717 /nfs/dbraw/zinc/82/87/17/456828717.db2.gz BOOGWNWMCHTDMX-CQSZACIVSA-N 0 0 337.445 3.111 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000341314721 456842401 /nfs/dbraw/zinc/84/24/01/456842401.db2.gz YYURWBSPJFQBHM-CYBMUJFWSA-N 0 0 348.362 3.498 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(F)F)CC1CCC1 ZINC000341755144 456929744 /nfs/dbraw/zinc/92/97/44/456929744.db2.gz VHVXJSZHMXBUGN-UHFFFAOYSA-N 0 0 341.358 3.209 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000339091275 456936300 /nfs/dbraw/zinc/93/63/00/456936300.db2.gz LEXFQOGCOMFKFH-AWEZNQCLSA-N 0 0 330.306 3.224 10 5 EGBERN Cc1cnn(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)c1 ZINC000339193135 456985436 /nfs/dbraw/zinc/98/54/36/456985436.db2.gz SDBBDQJUDPCDKQ-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccccc1CN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CC1 ZINC000339198890 456988650 /nfs/dbraw/zinc/98/86/50/456988650.db2.gz JDDKJLQTTUGFOQ-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341912940 456997011 /nfs/dbraw/zinc/99/70/11/456997011.db2.gz DCDDGDSQOBJXSO-AAEUAGOBSA-N 0 0 349.412 3.059 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356483537 457014375 /nfs/dbraw/zinc/01/43/75/457014375.db2.gz UBVTVDTZRJHDJR-RDJZCZTQSA-N 0 0 346.408 3.433 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccnc2OC(C)C)no1 ZINC000349769426 457045097 /nfs/dbraw/zinc/04/50/97/457045097.db2.gz BDSDDQJNZBXBBP-UHFFFAOYSA-N 0 0 341.327 3.197 10 5 EGBERN O=[N+]([O-])c1ccccc1CN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346545470 457050235 /nfs/dbraw/zinc/05/02/35/457050235.db2.gz ATMARBWMUQERQY-GOSISDBHSA-N 0 0 338.342 3.403 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1c(C)cccc1[N+](=O)[O-])CC2 ZINC000362738815 457071390 /nfs/dbraw/zinc/07/13/90/457071390.db2.gz XISLIEJZEGQPPN-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000342144138 457134136 /nfs/dbraw/zinc/13/41/36/457134136.db2.gz YRXKOZHJDNVXSI-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000356740485 457143855 /nfs/dbraw/zinc/14/38/55/457143855.db2.gz ZWKXQNXSSWDEDI-WRWORJQWSA-N 0 0 327.178 3.194 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)c(F)c2C1 ZINC000362928360 457159985 /nfs/dbraw/zinc/15/99/85/457159985.db2.gz RIZZZRNLLIHUTP-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN CCOc1cc(N2CCN(c3cnccc3C)CC2)ccc1[N+](=O)[O-] ZINC000359946256 457164231 /nfs/dbraw/zinc/16/42/31/457164231.db2.gz IZYIUPBLNDZCTL-UHFFFAOYSA-N 0 0 342.399 3.024 10 5 EGBERN CCOc1cccc(N2CCN(c3cnccc3C)CC2)c1[N+](=O)[O-] ZINC000359951145 457168536 /nfs/dbraw/zinc/16/85/36/457168536.db2.gz XLEUPZOPFHDMDN-UHFFFAOYSA-N 0 0 342.399 3.024 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342235643 457184963 /nfs/dbraw/zinc/18/49/63/457184963.db2.gz BFSXFMBFPKBQPZ-LBPRGKRZSA-N 0 0 332.278 3.064 10 5 EGBERN Cc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000363022975 457199614 /nfs/dbraw/zinc/19/96/14/457199614.db2.gz XEZGNLKQIYUJED-UHFFFAOYSA-N 0 0 339.395 3.256 10 5 EGBERN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342280084 457209124 /nfs/dbraw/zinc/20/91/24/457209124.db2.gz LCHWMZJMYDXKMO-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000342282318 457210842 /nfs/dbraw/zinc/21/08/42/457210842.db2.gz PCJJWNHRFODCMR-NWDGAFQWSA-N 0 0 338.367 3.393 10 5 EGBERN CCc1noc(C)c1-c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000351020295 457214853 /nfs/dbraw/zinc/21/48/53/457214853.db2.gz HDYUEFAOFXXBLB-UHFFFAOYSA-N 0 0 330.300 3.083 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000354471186 457244654 /nfs/dbraw/zinc/24/46/54/457244654.db2.gz BZAJFVNJALIDSZ-ZIAGYGMSSA-N 0 0 328.393 3.359 10 5 EGBERN CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000340064355 457325190 /nfs/dbraw/zinc/32/51/90/457325190.db2.gz GLOGDKXDQZLRFE-CYBMUJFWSA-N 0 0 347.371 3.018 10 5 EGBERN COc1cc(CN2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000351978199 457325630 /nfs/dbraw/zinc/32/56/30/457325630.db2.gz OCEVQQOVAXQPIF-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000360781383 457349474 /nfs/dbraw/zinc/34/94/74/457349474.db2.gz MQYOLSCWYJUSOE-QMMMGPOBSA-N 0 0 327.262 3.010 10 5 EGBERN COC(=O)[C@H](Oc1cccnc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000342533502 457353421 /nfs/dbraw/zinc/35/34/21/457353421.db2.gz VSWNZUOFEUHIGM-GFCCVEGCSA-N 0 0 340.694 3.075 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(CC2CC2)nc1C ZINC000355321864 457357410 /nfs/dbraw/zinc/35/74/10/457357410.db2.gz UTPCVUSFFMHUIC-UHFFFAOYSA-N 0 0 331.328 3.105 10 5 EGBERN CSC[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347365014 457376948 /nfs/dbraw/zinc/37/69/48/457376948.db2.gz ZRRMRATXUKFRRV-JTQLQIEISA-N 0 0 344.383 3.017 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)(C)C ZINC000425033481 457411906 /nfs/dbraw/zinc/41/19/06/457411906.db2.gz DYSOIPXKIBRCOH-IUODEOHRSA-N 0 0 348.399 3.177 10 5 EGBERN COc1cccc(N2CCC(c3nccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000363702233 457421724 /nfs/dbraw/zinc/42/17/24/457421724.db2.gz ORUOAFCKAMVQDF-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccnc2-n2cccn2)no1 ZINC000356106829 457452219 /nfs/dbraw/zinc/45/22/19/457452219.db2.gz YWUFTEUJWYKPKW-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356112293 457456723 /nfs/dbraw/zinc/45/67/23/457456723.db2.gz JZJBOBWVMGOQHZ-UHFFFAOYSA-N 0 0 334.353 3.014 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1csc2ccccc12 ZINC000352572588 457477012 /nfs/dbraw/zinc/47/70/12/457477012.db2.gz JUVASYKNXNSQMX-UHFFFAOYSA-N 0 0 330.369 3.343 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@@H](OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369981776 457485920 /nfs/dbraw/zinc/48/59/20/457485920.db2.gz DEGBSOJTRTXXEI-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000425300720 457486419 /nfs/dbraw/zinc/48/64/19/457486419.db2.gz FWCNOLHXOMFVHV-UHFFFAOYSA-N 0 0 343.261 3.148 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3n[nH]cc3c(C)c2)cc1[N+](=O)[O-] ZINC000347560880 457508109 /nfs/dbraw/zinc/50/81/09/457508109.db2.gz LOLOPSXOGBWWHN-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000361044861 457539969 /nfs/dbraw/zinc/53/99/69/457539969.db2.gz VCLAMZXTCLJYLN-AWEZNQCLSA-N 0 0 337.383 3.387 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC3(F)F)CC2)c1 ZINC000405131758 457552491 /nfs/dbraw/zinc/55/24/91/457552491.db2.gz GSXVNTXPAAJBEW-UHFFFAOYSA-N 0 0 326.299 3.007 10 5 EGBERN Cc1cc(N2CCC[C@]3(C2)OCc2ccccc23)ncc1[N+](=O)[O-] ZINC000364347345 457570624 /nfs/dbraw/zinc/57/06/24/457570624.db2.gz NQRHAFWCGOKBOB-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356363223 457585326 /nfs/dbraw/zinc/58/53/26/457585326.db2.gz INCJQVQGTHUXEJ-UHFFFAOYSA-N 0 0 337.339 3.071 10 5 EGBERN CC(C)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000357663504 457645969 /nfs/dbraw/zinc/64/59/69/457645969.db2.gz YCUJGRICIJJBSG-UHFFFAOYSA-N 0 0 345.399 3.176 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(c2ccccc2F)C1 ZINC000361222676 457652710 /nfs/dbraw/zinc/65/27/10/457652710.db2.gz ZQCZQROCQAALGO-UHFFFAOYSA-N 0 0 328.343 3.293 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000374600693 457669547 /nfs/dbraw/zinc/66/95/47/457669547.db2.gz JJVAIPDRDCTWJC-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000361287565 457679841 /nfs/dbraw/zinc/67/98/41/457679841.db2.gz LOIBZKGSGMHFJW-QMMMGPOBSA-N 0 0 329.143 3.181 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374695075 457688975 /nfs/dbraw/zinc/68/89/75/457688975.db2.gz RMFQPFGRQPSRSI-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1F ZINC000357803096 457695907 /nfs/dbraw/zinc/69/59/07/457695907.db2.gz ZZHSYSFGPBPECD-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410705310 457746455 /nfs/dbraw/zinc/74/64/55/457746455.db2.gz OZGWUSSLLUBJQL-CXAGYDPISA-N 0 0 343.383 3.017 10 5 EGBERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443778095 457810222 /nfs/dbraw/zinc/81/02/22/457810222.db2.gz XVKCPVISIOABNB-ZIAGYGMSSA-N 0 0 340.445 3.231 10 5 EGBERN Cn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccn2)n1 ZINC000371313243 457861377 /nfs/dbraw/zinc/86/13/77/457861377.db2.gz KNRMMWBFXXVGNH-UHFFFAOYSA-N 0 0 338.327 3.034 10 5 EGBERN Cc1cccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1C ZINC000426721680 457884797 /nfs/dbraw/zinc/88/47/97/457884797.db2.gz CYCCWHIMAOFEBM-KRWDZBQOSA-N 0 0 328.368 3.436 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](CC(F)(F)F)C3)c21 ZINC000433814095 457891003 /nfs/dbraw/zinc/89/10/03/457891003.db2.gz GVVYAAXBMFICTB-VIFPVBQESA-N 0 0 326.278 3.317 10 5 EGBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC12CCC2 ZINC000366753615 457897513 /nfs/dbraw/zinc/89/75/13/457897513.db2.gz ZRNCMSPBXQUXDT-UHFFFAOYSA-N 0 0 343.427 3.356 10 5 EGBERN Cc1ccc(CN(CCO)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000358271035 457901757 /nfs/dbraw/zinc/90/17/57/457901757.db2.gz XIUFSQJAZNPTQJ-UHFFFAOYSA-N 0 0 346.383 3.254 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCc4ccc(F)c(F)c4C3)nc2c1 ZINC000444635791 457925358 /nfs/dbraw/zinc/92/53/58/457925358.db2.gz BVLROIQODKFUGW-UHFFFAOYSA-N 0 0 344.321 3.308 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000371435293 457929301 /nfs/dbraw/zinc/92/93/01/457929301.db2.gz BOCYCVWNHGERPD-QWHCGFSZSA-N 0 0 329.404 3.325 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2cccc(OC)c2)n1 ZINC000427168611 457953301 /nfs/dbraw/zinc/95/33/01/457953301.db2.gz FIVNFOZZXCQQDX-UHFFFAOYSA-N 0 0 346.387 3.123 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458170499 457953721 /nfs/dbraw/zinc/95/37/21/457953721.db2.gz URFTWRMEDUFQNH-UHFFFAOYSA-N 0 0 342.342 3.304 10 5 EGBERN COC(=O)c1cncnc1/C=C/c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000427266172 457969815 /nfs/dbraw/zinc/96/98/15/457969815.db2.gz HZOAKJZJLJIBPH-FNORWQNLSA-N 0 0 327.340 3.465 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000444876825 457991952 /nfs/dbraw/zinc/99/19/52/457991952.db2.gz VDDJWOKOBZNUTL-UHFFFAOYSA-N 0 0 346.387 3.038 10 5 EGBERN O=C(NCCc1nccs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445180147 458023422 /nfs/dbraw/zinc/02/34/22/458023422.db2.gz GHKVMKNBJPVIPP-UHFFFAOYSA-N 0 0 349.415 3.110 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000362247971 458053317 /nfs/dbraw/zinc/05/33/17/458053317.db2.gz AEVVISAHHMUWPS-RDJZCZTQSA-N 0 0 334.416 3.189 10 5 EGBERN Cc1ccc([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744577 458057756 /nfs/dbraw/zinc/05/77/56/458057756.db2.gz ATOJSXYAVMDPPF-HKUYNNGSSA-N 0 0 326.396 3.426 10 5 EGBERN Cc1cn2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc2n1 ZINC000362271361 458069127 /nfs/dbraw/zinc/06/91/27/458069127.db2.gz YAQHNOXMCMQJDI-UHFFFAOYSA-N 0 0 348.160 3.452 10 5 EGBERN Cc1ccccc1-c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)no1 ZINC000428094400 458078571 /nfs/dbraw/zinc/07/85/71/458078571.db2.gz VNAFJWDTSOAAIW-UHFFFAOYSA-N 0 0 341.323 3.025 10 5 EGBERN COc1cc(CN2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362322952 458104039 /nfs/dbraw/zinc/10/40/39/458104039.db2.gz PTOXSOOFCUKJHB-QGZVFWFLSA-N 0 0 338.379 3.135 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1c1nccs1 ZINC000362342507 458115461 /nfs/dbraw/zinc/11/54/61/458115461.db2.gz BAYIFPPBENNDHX-CQSZACIVSA-N 0 0 346.412 3.221 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000362345892 458117602 /nfs/dbraw/zinc/11/76/02/458117602.db2.gz QKDWSQVLKHCCFR-UHFFFAOYSA-N 0 0 327.340 3.368 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(c2ccccc2F)CC1 ZINC000375936952 458131703 /nfs/dbraw/zinc/13/17/03/458131703.db2.gz BZTAMNGLFQKNJX-UHFFFAOYSA-N 0 0 343.358 3.086 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412299225 458159540 /nfs/dbraw/zinc/15/95/40/458159540.db2.gz OEJCALHIIOABJB-PCDDKUFXSA-N 0 0 342.317 3.498 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000446317361 458176203 /nfs/dbraw/zinc/17/62/03/458176203.db2.gz DGDUNICHINBXOS-INIZCTEOSA-N 0 0 342.823 3.474 10 5 EGBERN O=C(Nc1ccc2c(c1)CCC2=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412364366 458181677 /nfs/dbraw/zinc/18/16/77/458181677.db2.gz CRDXJRDVYVKBKI-DLBZAZTESA-N 0 0 336.347 3.466 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2F)C1 ZINC000412365417 458182753 /nfs/dbraw/zinc/18/27/53/458182753.db2.gz YLHVMFJWDJLAAY-DLBZAZTESA-N 0 0 340.354 3.463 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000358757215 458197409 /nfs/dbraw/zinc/19/74/09/458197409.db2.gz PKLJNEJOLJVEFI-HNNXBMFYSA-N 0 0 349.774 3.069 10 5 EGBERN COc1cc(CN2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429125097 458275528 /nfs/dbraw/zinc/27/55/28/458275528.db2.gz CLPRKVRXLIIAJA-ZDUSSCGKSA-N 0 0 328.368 3.387 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CC12CCOCC2 ZINC000436339580 458291699 /nfs/dbraw/zinc/29/16/99/458291699.db2.gz SYSDVWWMIXBMRN-SECBINFHSA-N 0 0 331.294 3.237 10 5 EGBERN Nc1ccc(N2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000376437938 458299488 /nfs/dbraw/zinc/29/94/88/458299488.db2.gz XCIFMDQBOGWPAU-SFHVURJKSA-N 0 0 325.368 3.203 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NCCOc3ccccc3Cl)[nH]c2c1 ZINC000447684212 458329815 /nfs/dbraw/zinc/32/98/15/458329815.db2.gz YFLDITCIRBPVNL-UHFFFAOYSA-N 0 0 332.747 3.037 10 5 EGBERN COc1ccc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000447689520 458330039 /nfs/dbraw/zinc/33/00/39/458330039.db2.gz QEIVYNMIQIMBIR-VIFPVBQESA-N 0 0 330.319 3.214 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CCCC2 ZINC000430247333 458428598 /nfs/dbraw/zinc/42/85/98/458428598.db2.gz VBZXBAVARTTYNV-AWEZNQCLSA-N 0 0 338.791 3.466 10 5 EGBERN Cc1cc(OCC(=O)N2Cc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000430692048 458481058 /nfs/dbraw/zinc/48/10/58/458481058.db2.gz LBGKZVXLOXMJJV-CYBMUJFWSA-N 0 0 326.352 3.385 10 5 EGBERN CCn1c(CCC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460183092 458504724 /nfs/dbraw/zinc/50/47/24/458504724.db2.gz APFCTHMBQBSOEV-UHFFFAOYSA-N 0 0 345.447 3.474 10 5 EGBERN O=C(Cc1ccc(Cl)c(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000468414186 458516095 /nfs/dbraw/zinc/51/60/95/458516095.db2.gz GJRIEECMJNNELU-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN COc1ccc(OCCSC[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000424148649 458571884 /nfs/dbraw/zinc/57/18/84/458571884.db2.gz FSSNSJAADXQWIL-HNNXBMFYSA-N 0 0 327.402 3.140 10 5 EGBERN CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813648 458611707 /nfs/dbraw/zinc/61/17/07/458611707.db2.gz UWUDBSMCVHJSMG-GOEBONIOSA-N 0 0 340.807 3.018 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000438950327 458632468 /nfs/dbraw/zinc/63/24/68/458632468.db2.gz GFDNOLMUWKLETA-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN COc1cc(C)cc(NC(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000470454538 458633876 /nfs/dbraw/zinc/63/38/76/458633876.db2.gz ASHZDBGVQMSSPP-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000439160818 458664331 /nfs/dbraw/zinc/66/43/31/458664331.db2.gz VQERPKCKUGTKCS-HOCLYGCPSA-N 0 0 332.400 3.359 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2ccccc2C1 ZINC000502928201 458681238 /nfs/dbraw/zinc/68/12/38/458681238.db2.gz GYDSJESAJUYRHR-AWEZNQCLSA-N 0 0 341.367 3.282 10 5 EGBERN Cc1cc(C(=O)NCCc2cc(F)c(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000503663161 458720004 /nfs/dbraw/zinc/72/00/04/458720004.db2.gz MOFCZRMUZRNIJC-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN Cc1c(CNC(=O)c2cn(C)c3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC000432391012 458729029 /nfs/dbraw/zinc/72/90/29/458729029.db2.gz HHXZNTLKORKWOZ-UHFFFAOYSA-N 0 0 341.342 3.464 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530431566 458766222 /nfs/dbraw/zinc/76/62/22/458766222.db2.gz VMCROSRZGOXXKE-CBAPKCEASA-N 0 0 342.277 3.021 10 5 EGBERN COc1cc(CN2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769120 458789734 /nfs/dbraw/zinc/78/97/34/458789734.db2.gz VPVNKJXVAGHJEL-UWVGGRQHSA-N 0 0 330.331 3.230 10 5 EGBERN COc1cc(OC)c2ncnc(Oc3cc(F)cc([N+](=O)[O-])c3)c2c1 ZINC000432817932 458790973 /nfs/dbraw/zinc/79/09/73/458790973.db2.gz HXGBKMQKKAEIAZ-UHFFFAOYSA-N 0 0 345.286 3.487 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000456880230 458809555 /nfs/dbraw/zinc/80/95/55/458809555.db2.gz MCHNQRNQYUFEDJ-CABZTGNLSA-N 0 0 339.189 3.133 10 5 EGBERN Cc1ccc(-c2noc(COc3ncc(C)cc3[N+](=O)[O-])n2)cc1 ZINC000530934414 458846981 /nfs/dbraw/zinc/84/69/81/458846981.db2.gz WRNHTOBUJGJQAE-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000531225685 458889895 /nfs/dbraw/zinc/88/98/95/458889895.db2.gz KDOOPLNZLOHEGW-VIFPVBQESA-N 0 0 334.763 3.146 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457340074 458925795 /nfs/dbraw/zinc/92/57/95/458925795.db2.gz INEGZSUSHGQOIV-UHFFFAOYSA-N 0 0 341.205 3.475 10 5 EGBERN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531633872 458949978 /nfs/dbraw/zinc/94/99/78/458949978.db2.gz JRSHAZVUNNNNCN-UHFFFAOYSA-N 0 0 341.245 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNCc1ccn(Cc2ccccc2)n1 ZINC000556431524 458961476 /nfs/dbraw/zinc/96/14/76/458961476.db2.gz ZOBPYFVZNBUKBW-UHFFFAOYSA-N 0 0 336.395 3.438 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000476180754 458984138 /nfs/dbraw/zinc/98/41/38/458984138.db2.gz WNNXWLHWIKCPMB-SNVBAGLBSA-N 0 0 346.836 3.367 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CC1CC1)CC1CCC1 ZINC000519851344 459016670 /nfs/dbraw/zinc/01/66/70/459016670.db2.gz DEUCVFOBMSMJSP-UHFFFAOYSA-N 0 0 341.415 3.407 10 5 EGBERN O=[N+]([O-])c1cccc2c(NCC3(O)Cc4ccccc4C3)ccnc21 ZINC000577334273 459017284 /nfs/dbraw/zinc/01/72/84/459017284.db2.gz NSTSGAMXXQHYLK-UHFFFAOYSA-N 0 0 335.363 3.085 10 5 EGBERN CCOc1ccccc1[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137184 459035141 /nfs/dbraw/zinc/03/51/41/459035141.db2.gz SBUVWCREBGQLJC-AWEZNQCLSA-N 0 0 329.356 3.270 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(OC(C)(C)C)c1 ZINC000532143905 459037144 /nfs/dbraw/zinc/03/71/44/459037144.db2.gz GSSHUUPVDQBBHU-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2ccc(F)cc2)CC1 ZINC000577540783 459049011 /nfs/dbraw/zinc/04/90/11/459049011.db2.gz PEWZYVFGONBONR-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCc3ccccc3C2)cc([N+](=O)[O-])c1C ZINC000477816555 459060610 /nfs/dbraw/zinc/06/06/10/459060610.db2.gz DRUIQAZEJGSSBX-INIZCTEOSA-N 0 0 340.379 3.199 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000478002227 459069845 /nfs/dbraw/zinc/06/98/45/459069845.db2.gz XDSMALWZBAZCRG-ZBFHGGJFSA-N 0 0 347.415 3.246 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594525183 459079684 /nfs/dbraw/zinc/07/96/84/459079684.db2.gz OUFPYVOXQFZRCK-OCCSQVGLSA-N 0 0 325.340 3.203 10 5 EGBERN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)o1 ZINC000594531520 459080944 /nfs/dbraw/zinc/08/09/44/459080944.db2.gz SOJKVVVYFVSSSU-UHFFFAOYSA-N 0 0 342.311 3.272 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594538846 459083192 /nfs/dbraw/zinc/08/31/92/459083192.db2.gz VQCOHRDKTUZGBD-HUUCEWRRSA-N 0 0 337.351 3.203 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178791 459098328 /nfs/dbraw/zinc/09/83/28/459098328.db2.gz BBSJFNOQIWHXLO-HQJJXPTPSA-N 0 0 348.443 3.452 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443212318 459099683 /nfs/dbraw/zinc/09/96/83/459099683.db2.gz MGLKHNFYGFSIRE-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC2(CCCCC2)O1 ZINC000594597807 459103522 /nfs/dbraw/zinc/10/35/22/459103522.db2.gz BBCZRFABCPERCV-CYBMUJFWSA-N 0 0 342.399 3.466 10 5 EGBERN CC(C)(C(=O)N1CC(CC(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000590300196 459111274 /nfs/dbraw/zinc/11/12/74/459111274.db2.gz MOPWBDZECGRYSI-UHFFFAOYSA-N 0 0 330.306 3.283 10 5 EGBERN CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000557939781 459120034 /nfs/dbraw/zinc/12/00/34/459120034.db2.gz BOCVSOZRHRDQIN-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000594689121 459130752 /nfs/dbraw/zinc/13/07/52/459130752.db2.gz CSRULAWRYPVSLC-GUYCJALGSA-N 0 0 328.368 3.250 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N(C)C(C)C ZINC000590542298 459146071 /nfs/dbraw/zinc/14/60/71/459146071.db2.gz PFCKCMFHPAFLNY-UHFFFAOYSA-N 0 0 328.372 3.395 10 5 EGBERN Cc1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000590556530 459147949 /nfs/dbraw/zinc/14/79/49/459147949.db2.gz HMJDFGGTLPMVQI-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000590583588 459154009 /nfs/dbraw/zinc/15/40/09/459154009.db2.gz ZJQIIPLUKCJQAS-IONNQARKSA-N 0 0 331.777 3.304 10 5 EGBERN COC(=O)Cc1ccc(NCC(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590701112 459187709 /nfs/dbraw/zinc/18/77/09/459187709.db2.gz CQHUYRDLSHXQKP-UHFFFAOYSA-N 0 0 334.294 3.311 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1F ZINC000590698426 459188041 /nfs/dbraw/zinc/18/80/41/459188041.db2.gz YUEYFOKORYRCOA-GZMMTYOYSA-N 0 0 334.269 3.434 10 5 EGBERN CC(=O)c1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000590703151 459189009 /nfs/dbraw/zinc/18/90/09/459189009.db2.gz UUCJZRUGBBRVGP-UHFFFAOYSA-N 0 0 344.396 3.120 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)C(F)(F)F ZINC000558706259 459200680 /nfs/dbraw/zinc/20/06/80/459200680.db2.gz OZQSBYONAGBTNI-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN COc1ccc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536668 459249497 /nfs/dbraw/zinc/24/94/97/459249497.db2.gz MYICEDZEEKCNIC-BFUOFWGJSA-N 0 0 342.395 3.427 10 5 EGBERN COc1ccccc1CC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595308549 459274977 /nfs/dbraw/zinc/27/49/77/459274977.db2.gz KIHQRFCHUKXSKQ-UHFFFAOYSA-N 0 0 345.399 3.355 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000568438381 459287205 /nfs/dbraw/zinc/28/72/05/459287205.db2.gz RJPGGCYRLULIPD-JTQLQIEISA-N 0 0 326.343 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)nc1-c1ccccc1 ZINC000560076422 459298217 /nfs/dbraw/zinc/29/82/17/459298217.db2.gz OESXGDGAZFJKGP-KRWDZBQOSA-N 0 0 349.390 3.267 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2ccc3[nH]ccc3c2)c1[N+](=O)[O-] ZINC000582172975 459320903 /nfs/dbraw/zinc/32/09/03/459320903.db2.gz BQKLQUMROLJJFH-UHFFFAOYSA-N 0 0 326.312 3.310 10 5 EGBERN C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000534450890 459327024 /nfs/dbraw/zinc/32/70/24/459327024.db2.gz VWYIBAWEXKTBRD-KOLCDFICSA-N 0 0 328.315 3.362 10 5 EGBERN CC(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000524448448 459364076 /nfs/dbraw/zinc/36/40/76/459364076.db2.gz UUJQHEFWXQENSO-NSHDSACASA-N 0 0 332.447 3.103 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1O ZINC000568942073 459368542 /nfs/dbraw/zinc/36/85/42/459368542.db2.gz IZPALOPCBQNSTQ-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(OC)c1 ZINC000595683031 459394890 /nfs/dbraw/zinc/39/48/90/459394890.db2.gz FCDXLUQGGYUCBV-MRXNPFEDSA-N 0 0 346.383 3.089 10 5 EGBERN COC(=O)c1cc(NCC[C@@H]2CCO[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000541350723 459447789 /nfs/dbraw/zinc/44/77/89/459447789.db2.gz NVRBPJKNPXQEQH-CHWSQXEVSA-N 0 0 336.388 3.307 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H](C(F)F)C1 ZINC000591845645 459453717 /nfs/dbraw/zinc/45/37/17/459453717.db2.gz FAAFXAMJOCPCDO-VIFPVBQESA-N 0 0 335.148 3.444 10 5 EGBERN Cc1c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891948 459478118 /nfs/dbraw/zinc/47/81/18/459478118.db2.gz RNWNQRDXVDMWFJ-GWCFXTLKSA-N 0 0 332.322 3.445 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000595902411 459481906 /nfs/dbraw/zinc/48/19/06/459481906.db2.gz JHDQRPOTDLSLPM-ZDUSSCGKSA-N 0 0 339.395 3.121 10 5 EGBERN CCOc1cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919679 459487251 /nfs/dbraw/zinc/48/72/51/459487251.db2.gz RCRPPTTWAUUBGF-BZNIZROVSA-N 0 0 344.358 3.238 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000486116814 459488818 /nfs/dbraw/zinc/48/88/18/459488818.db2.gz GLFPNDAMZPYTNB-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596000446 459492509 /nfs/dbraw/zinc/49/25/09/459492509.db2.gz AQXBJCAAJFHREA-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2sccc2[N+](=O)[O-])CCOCC1 ZINC000591970817 459500761 /nfs/dbraw/zinc/50/07/61/459500761.db2.gz JUKVTNGIZPBRHR-UHFFFAOYSA-N 0 0 342.417 3.207 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000591972523 459500900 /nfs/dbraw/zinc/50/09/00/459500900.db2.gz RECNIGGEJDQMNL-VXGBXAGGSA-N 0 0 338.371 3.399 10 5 EGBERN Cc1cc(NCC(C)(C)[C@]2(O)CCOC2)c2cccc([N+](=O)[O-])c2n1 ZINC000591987402 459504992 /nfs/dbraw/zinc/50/49/92/459504992.db2.gz KDXLMFNPIRVJKV-SFHVURJKSA-N 0 0 345.399 3.041 10 5 EGBERN COc1cc(NCCCOC[C@@H]2CCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596064646 459506695 /nfs/dbraw/zinc/50/66/95/459506695.db2.gz ZKCHENQXFJXJBV-NSHDSACASA-N 0 0 344.795 3.254 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)nc1OCc1ccccc1 ZINC000486501973 459506801 /nfs/dbraw/zinc/50/68/01/459506801.db2.gz YDDJLSYONLVWIW-HALDLXJZSA-N 0 0 325.368 3.201 10 5 EGBERN COc1cccc(O[C@@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000541932291 459511730 /nfs/dbraw/zinc/51/17/30/459511730.db2.gz OIMPBSNPONNEPD-ZDUSSCGKSA-N 0 0 331.372 3.495 10 5 EGBERN COc1cc(N2CCC[C@@H](n3ccnc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596111973 459525362 /nfs/dbraw/zinc/52/53/62/459525362.db2.gz GBWMWNZDALDZJN-LLVKDONJSA-N 0 0 336.779 3.295 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCC[C@@H](O)C(F)(F)F ZINC000596124836 459529305 /nfs/dbraw/zinc/52/93/05/459529305.db2.gz HOXPBEZRHJXEGH-MRVPVSSYSA-N 0 0 343.099 3.083 10 5 EGBERN COc1ccc(F)cc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569998493 459544072 /nfs/dbraw/zinc/54/40/72/459544072.db2.gz ICEHBXHYWXANIO-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596179162 459550579 /nfs/dbraw/zinc/55/05/79/459550579.db2.gz NMUDKJBXQYMTEJ-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN CCC(O)(CC)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596205411 459559643 /nfs/dbraw/zinc/55/96/43/459559643.db2.gz CZTBNGKTVVUYAJ-UHFFFAOYSA-N 0 0 344.795 3.388 10 5 EGBERN COc1cc(N2CCC3(CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596219473 459564911 /nfs/dbraw/zinc/56/49/11/459564911.db2.gz AYPQAPIKHVDGTR-UHFFFAOYSA-N 0 0 326.780 3.264 10 5 EGBERN NC(=O)c1cc(NC[C@H]2CC[C@H](c3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000596234957 459569097 /nfs/dbraw/zinc/56/90/97/459569097.db2.gz OSWRVMRGSMVTGD-RHSMWYFYSA-N 0 0 341.367 3.026 10 5 EGBERN COc1cc(COc2cccc3c2OCCCO3)ccc1[N+](=O)[O-] ZINC000596303654 459590338 /nfs/dbraw/zinc/59/03/38/459590338.db2.gz UUDAJXWABBZJEC-UHFFFAOYSA-N 0 0 331.324 3.344 10 5 EGBERN CCN(CCSC)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000592401713 459594202 /nfs/dbraw/zinc/59/42/02/459594202.db2.gz PACKIXZOWOVKBZ-UHFFFAOYSA-N 0 0 335.433 3.063 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ncnn21 ZINC000596342525 459602673 /nfs/dbraw/zinc/60/26/73/459602673.db2.gz FYHGHRYDXGHPAZ-XCBNKYQSSA-N 0 0 327.266 3.323 10 5 EGBERN CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2O1 ZINC000527202224 459606912 /nfs/dbraw/zinc/60/69/12/459606912.db2.gz KBICBIFOOCIHNF-MRXNPFEDSA-N 0 0 329.312 3.140 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596366153 459610234 /nfs/dbraw/zinc/61/02/34/459610234.db2.gz AWHRIKZBUOXVCB-BJJXKVORSA-N 0 0 345.399 3.121 10 5 EGBERN Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543176963 459630128 /nfs/dbraw/zinc/63/01/28/459630128.db2.gz NTHIBDQMIWXDSQ-HNNXBMFYSA-N 0 0 346.408 3.081 10 5 EGBERN COCCN(CCF)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000596447324 459639797 /nfs/dbraw/zinc/63/97/97/459639797.db2.gz RKTDTPRUYLYUSE-UHFFFAOYSA-N 0 0 346.358 3.248 10 5 EGBERN Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596480300 459651080 /nfs/dbraw/zinc/65/10/80/459651080.db2.gz MNNYXHGPCLHNRX-QMTHXVAHSA-N 0 0 341.205 3.138 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000592681043 459664656 /nfs/dbraw/zinc/66/46/56/459664656.db2.gz KPUTWZOUOBPLHO-UHFFFAOYSA-N 0 0 325.368 3.351 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCC3(O)CCC(F)(F)CC3)c2c1 ZINC000596527686 459666697 /nfs/dbraw/zinc/66/66/97/459666697.db2.gz KFRFQKLOVCYNLR-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN C[C@H](NC(=O)NCC1(O)CCC(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000596542253 459670910 /nfs/dbraw/zinc/67/09/10/459670910.db2.gz OSKXUNSXNVZXQW-ZDUSSCGKSA-N 0 0 349.431 3.286 10 5 EGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](CC(F)(F)F)O1 ZINC000596555332 459674850 /nfs/dbraw/zinc/67/48/50/459674850.db2.gz RDYDJTWFZFCDSK-APPZFPTMSA-N 0 0 339.701 3.189 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CCC(F)CC1 ZINC000592720571 459676148 /nfs/dbraw/zinc/67/61/48/459676148.db2.gz DJXZQCDSKQGNRP-UHFFFAOYSA-N 0 0 328.771 3.435 10 5 EGBERN COC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000543620918 459676520 /nfs/dbraw/zinc/67/65/20/459676520.db2.gz WBKGOMGKFVKPED-UHFFFAOYSA-N 0 0 340.379 3.248 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CCC(F)CC1 ZINC000592722792 459677304 /nfs/dbraw/zinc/67/73/04/459677304.db2.gz RSXGVYONZZRBNL-UHFFFAOYSA-N 0 0 330.306 3.060 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598652 459692238 /nfs/dbraw/zinc/69/22/38/459692238.db2.gz KDMBTROYQYXKHT-UHFFFAOYSA-N 0 0 344.415 3.301 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NC2(c3cccc(F)c3)CCC2)c1[N+](=O)[O-] ZINC000592829572 459700880 /nfs/dbraw/zinc/70/08/80/459700880.db2.gz QSXBVTOHSIJTLB-UHFFFAOYSA-N 0 0 346.362 3.390 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593006532 459737799 /nfs/dbraw/zinc/73/77/99/459737799.db2.gz GBIUKAZMQSQLTI-JKSUJKDBSA-N 0 0 343.427 3.070 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1[C@H](C)CCC2 ZINC000593030310 459746437 /nfs/dbraw/zinc/74/64/37/459746437.db2.gz KQCMHZMBGRJJRO-NEPJUHHUSA-N 0 0 340.383 3.280 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1cccc2[nH]ccc21 ZINC000502001010 459754848 /nfs/dbraw/zinc/75/48/48/459754848.db2.gz MPSZKNXIVWXKLG-UHFFFAOYSA-N 0 0 337.379 3.368 10 5 EGBERN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000593067882 459763115 /nfs/dbraw/zinc/76/31/15/459763115.db2.gz AKOKYAAFQCKSLL-INIZCTEOSA-N 0 0 331.372 3.251 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000593073746 459765215 /nfs/dbraw/zinc/76/52/15/459765215.db2.gz XRXFOZKKHZOMHM-NSHDSACASA-N 0 0 334.347 3.315 10 5 EGBERN CC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593080447 459766840 /nfs/dbraw/zinc/76/68/40/459766840.db2.gz IJRBXNKRLXHTPL-VXGBXAGGSA-N 0 0 334.294 3.130 10 5 EGBERN CC(C)(NC(=O)NC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596826837 459772385 /nfs/dbraw/zinc/77/23/85/459772385.db2.gz XWXFNWMHLSIVCQ-AWEZNQCLSA-N 0 0 327.331 3.174 10 5 EGBERN COCCSc1ccc2oc3ccc(C(=O)OC)cc3c(=O)c2c1 ZINC000584590659 459773754 /nfs/dbraw/zinc/77/37/54/459773754.db2.gz OORQGYWQRDWJSH-UHFFFAOYSA-N 0 0 344.388 3.471 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000596868635 459783150 /nfs/dbraw/zinc/78/31/50/459783150.db2.gz LJIOWOAMXCDLOY-YJBOKZPZSA-N 0 0 340.379 3.413 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593132809 459783549 /nfs/dbraw/zinc/78/35/49/459783549.db2.gz YZMQCVLFUBZJPV-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(CC(C)C)c1ccc(F)cn1 ZINC000593184663 459800506 /nfs/dbraw/zinc/80/05/06/459800506.db2.gz SWPIGACIRSMRGF-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN Cc1nn(C)c(C(=O)NC2(c3ccccc3Cl)CCC2)c1[N+](=O)[O-] ZINC000593199131 459805715 /nfs/dbraw/zinc/80/57/15/459805715.db2.gz FVJJZAIVANUJIW-UHFFFAOYSA-N 0 0 348.790 3.099 10 5 EGBERN Cc1c(CC(=O)Nc2cc3c([nH]c2=O)CCCC3)cccc1[N+](=O)[O-] ZINC000593214255 459809876 /nfs/dbraw/zinc/80/98/76/459809876.db2.gz JVTGLUJDQUZXRH-UHFFFAOYSA-N 0 0 341.367 3.064 10 5 EGBERN CC(C)(C)C1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091000 459835639 /nfs/dbraw/zinc/83/56/39/459835639.db2.gz SUNHOLHZPMJVDD-UHFFFAOYSA-N 0 0 326.784 3.340 10 5 EGBERN CSCCCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099361 459836278 /nfs/dbraw/zinc/83/62/78/459836278.db2.gz YPCOFBXPEPNDTN-UHFFFAOYSA-N 0 0 346.840 3.485 10 5 EGBERN C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H]1C ZINC000597100186 459837698 /nfs/dbraw/zinc/83/76/98/459837698.db2.gz GDZHAYIRVFJHPN-RKDXNWHRSA-N 0 0 326.784 3.483 10 5 EGBERN CSc1ccc(C(=O)N2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593318049 459839483 /nfs/dbraw/zinc/83/94/83/459839483.db2.gz UJPWILWDNMLGEK-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000585752884 459840310 /nfs/dbraw/zinc/84/03/10/459840310.db2.gz YBRANDCLNLOHKC-RGCMKSIDSA-N 0 0 331.416 3.215 10 5 EGBERN O=C([O-])C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000593333659 459850737 /nfs/dbraw/zinc/85/07/37/459850737.db2.gz XWKYZKOCMROUDT-UHFFFAOYSA-N 0 0 330.340 3.151 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598295005 459851551 /nfs/dbraw/zinc/85/15/51/459851551.db2.gz DFIWPTYUZLNAGN-CABCVRRESA-N 0 0 332.400 3.451 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598297658 459852706 /nfs/dbraw/zinc/85/27/06/459852706.db2.gz RJROVTVNFYZWSX-HZPDHXFCSA-N 0 0 346.427 3.380 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598298210 459853038 /nfs/dbraw/zinc/85/30/38/459853038.db2.gz ZIPIIITXVDRCBR-HZPDHXFCSA-N 0 0 346.427 3.380 10 5 EGBERN CSc1cccc(C(=O)N2CC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000593354447 459859144 /nfs/dbraw/zinc/85/91/44/459859144.db2.gz RXGUECHUVQSNNR-ZDUSSCGKSA-N 0 0 328.340 3.188 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](O)C(F)(F)C2)o1 ZINC000597189194 459867935 /nfs/dbraw/zinc/86/79/35/459867935.db2.gz ZNRZWOLCTCJIRH-HNNXBMFYSA-N 0 0 338.310 3.057 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593371289 459870465 /nfs/dbraw/zinc/87/04/65/459870465.db2.gz SIHDSARRDUVYTC-DZKIICNBSA-N 0 0 342.351 3.323 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000598350309 459875137 /nfs/dbraw/zinc/87/51/37/459875137.db2.gz MAJGIWDTLCZZNH-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598350299 459875142 /nfs/dbraw/zinc/87/51/42/459875142.db2.gz MAJGIWDTLCZZNH-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598351204 459875877 /nfs/dbraw/zinc/87/58/77/459875877.db2.gz NFZBEWSARBJJHV-SJORKVTESA-N 0 0 328.368 3.083 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598354039 459876734 /nfs/dbraw/zinc/87/67/34/459876734.db2.gz UPTQXYWQERUMMH-IRXDYDNUSA-N 0 0 328.368 3.083 10 5 EGBERN CC[C@H](NC(=O)N1CC(COC)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602269081 459880249 /nfs/dbraw/zinc/88/02/49/459880249.db2.gz CDMYEMGMCQNOLU-INIZCTEOSA-N 0 0 347.415 3.114 10 5 EGBERN CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598382630 459884135 /nfs/dbraw/zinc/88/41/35/459884135.db2.gz YOCUTUKJNRGNPX-INIZCTEOSA-N 0 0 329.356 3.013 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000598392586 459886699 /nfs/dbraw/zinc/88/66/99/459886699.db2.gz HJWKWQLHNRXXRO-UONOGXRCSA-N 0 0 332.400 3.001 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ccon2)CC1 ZINC000598399730 459889942 /nfs/dbraw/zinc/88/99/42/459889942.db2.gz ROCDEHWHRSFUCL-UHFFFAOYSA-N 0 0 329.356 3.219 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](C2CCC2)C1 ZINC000598401864 459890635 /nfs/dbraw/zinc/89/06/35/459890635.db2.gz XSWNRPLGXVBLPZ-ZDUSSCGKSA-N 0 0 346.383 3.018 10 5 EGBERN CCc1cccc2c1OCC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587780383 459895095 /nfs/dbraw/zinc/89/50/95/459895095.db2.gz MACFXILAXCKHEZ-INIZCTEOSA-N 0 0 343.383 3.167 10 5 EGBERN Cc1cccc2[nH]cc(CCNc3cc(N)c([N+](=O)[O-])c(CO)c3)c21 ZINC000587866820 459895203 /nfs/dbraw/zinc/89/52/03/459895203.db2.gz ZUPQXOWWGIVNFL-UHFFFAOYSA-N 0 0 340.383 3.114 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@H](C)O ZINC000597249608 459895269 /nfs/dbraw/zinc/89/52/69/459895269.db2.gz WCCSGOMPCUZYTJ-UGSOOPFHSA-N 0 0 330.384 3.205 10 5 EGBERN Cc1ccnc(N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000593465277 459897673 /nfs/dbraw/zinc/89/76/73/459897673.db2.gz PHLWXMSVMSFPRH-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cn1ncc2c1CC(C)(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597258779 459898590 /nfs/dbraw/zinc/89/85/90/459898590.db2.gz RQVCLQPFWLZYNP-SOFGYWHQSA-N 0 0 340.427 3.426 10 5 EGBERN COC(=O)CCC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593469927 459899411 /nfs/dbraw/zinc/89/94/11/459899411.db2.gz WYOOEDVAZUENGL-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN CC1=CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264890 459900289 /nfs/dbraw/zinc/90/02/89/459900289.db2.gz NQWOUIAIDDOFGP-KDOFPFPSSA-N 0 0 344.415 3.139 10 5 EGBERN CCOc1cccc(CCNc2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC000587999426 459900989 /nfs/dbraw/zinc/90/09/89/459900989.db2.gz SSDSGSAMVAWMPA-UHFFFAOYSA-N 0 0 345.384 3.048 10 5 EGBERN CCOc1cccc([C@H]2C[C@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588012671 459902487 /nfs/dbraw/zinc/90/24/87/459902487.db2.gz YQPIIIUKSZHVCD-NVXWUHKLSA-N 0 0 343.383 3.036 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598454306 459902681 /nfs/dbraw/zinc/90/26/81/459902681.db2.gz MKSUACCTEUSDHH-NSHDSACASA-N 0 0 334.397 3.354 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1cnn(-c2ccc(F)cc2)c1C ZINC000593485665 459903361 /nfs/dbraw/zinc/90/33/61/459903361.db2.gz ARGATRLQQYWJNG-UHFFFAOYSA-N 0 0 344.350 3.496 10 5 EGBERN COc1cc(C(=O)NCC(F)(F)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000598464140 459903705 /nfs/dbraw/zinc/90/37/05/459903705.db2.gz GGTLBQQZQXUHGQ-UHFFFAOYSA-N 0 0 334.294 3.154 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000598468464 459905823 /nfs/dbraw/zinc/90/58/23/459905823.db2.gz DDTSUFZHLLIWPO-AWEZNQCLSA-N 0 0 340.379 3.405 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N[C@H](C3CC3)C3CCOCC3)ccc2c1 ZINC000593491888 459906031 /nfs/dbraw/zinc/90/60/31/459906031.db2.gz LEVAQHMDQFBXNZ-GOSISDBHSA-N 0 0 327.384 3.182 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000598471136 459906432 /nfs/dbraw/zinc/90/64/32/459906432.db2.gz BFCJQUHNJAGGJA-INIZCTEOSA-N 0 0 342.399 3.029 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000588068468 459908482 /nfs/dbraw/zinc/90/84/82/459908482.db2.gz OQICCOGOGZUSJQ-LKFCYVNXSA-N 0 0 341.289 3.299 10 5 EGBERN C[C@@H]1C[C@H]1c1noc(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000593505172 459908739 /nfs/dbraw/zinc/90/87/39/459908739.db2.gz YGTKICRLPUJKOO-MWLCHTKSSA-N 0 0 349.416 3.017 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([S@@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000613716068 459910555 /nfs/dbraw/zinc/91/05/55/459910555.db2.gz TUQLVSZLNQMENT-VOIUYBSRSA-N 0 0 346.408 3.213 10 5 EGBERN Cc1cc(C2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)n[nH]1 ZINC000575041846 459912842 /nfs/dbraw/zinc/91/28/42/459912842.db2.gz LPNKTXAXSHRVOJ-UHFFFAOYSA-N 0 0 341.415 3.284 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC(C)(C)C1 ZINC000598504185 459923681 /nfs/dbraw/zinc/92/36/81/459923681.db2.gz GTDYDONHAJZPBX-SECBINFHSA-N 0 0 326.780 3.320 10 5 EGBERN COc1ccc(CSCC(=O)NC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000598505646 459924326 /nfs/dbraw/zinc/92/43/26/459924326.db2.gz WSWTWIQOWQAXLI-UHFFFAOYSA-N 0 0 338.429 3.141 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC1(F)F ZINC000588180159 459925972 /nfs/dbraw/zinc/92/59/72/459925972.db2.gz KPXVOHGXDXJASZ-PRHODGIISA-N 0 0 348.733 3.320 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC1(F)F ZINC000588180158 459926283 /nfs/dbraw/zinc/92/62/83/459926283.db2.gz KPXVOHGXDXJASZ-PELKAZGASA-N 0 0 348.733 3.320 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC1(F)F ZINC000588180135 459926795 /nfs/dbraw/zinc/92/67/95/459926795.db2.gz JUZXXENKENPSFD-GFCCVEGCSA-N 0 0 348.733 3.321 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598511461 459927805 /nfs/dbraw/zinc/92/78/05/459927805.db2.gz OUOZBQULCLNCAO-LLVKDONJSA-N 0 0 346.305 3.005 10 5 EGBERN COCC1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000598554669 459936606 /nfs/dbraw/zinc/93/66/06/459936606.db2.gz KUZKYVVWJYUMLT-UHFFFAOYSA-N 0 0 338.429 3.152 10 5 EGBERN COC(=O)c1ccnc(Nc2cccc([C@@H](C)OC)c2)c1[N+](=O)[O-] ZINC000598593067 459955571 /nfs/dbraw/zinc/95/55/71/459955571.db2.gz OXGJWQBFBHBDFM-SNVBAGLBSA-N 0 0 331.328 3.227 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000598640191 459973472 /nfs/dbraw/zinc/97/34/72/459973472.db2.gz WJXJGFKFTOJIHA-SSDOTTSWSA-N 0 0 334.706 3.492 10 5 EGBERN O=C(NC1(c2ccccc2Cl)CCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000593752963 459974309 /nfs/dbraw/zinc/97/43/09/459974309.db2.gz TXFARRPCSWYIFX-UHFFFAOYSA-N 0 0 347.758 3.158 10 5 EGBERN CC(C)(NC(=O)NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598668834 459984849 /nfs/dbraw/zinc/98/48/49/459984849.db2.gz DOZNOGJAYPWBLJ-LLVKDONJSA-N 0 0 327.331 3.174 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1ccc(F)cc1[N+](=O)[O-] ZINC000593916612 460016750 /nfs/dbraw/zinc/01/67/50/460016750.db2.gz RVFNGPQDQBAPPP-AWEZNQCLSA-N 0 0 343.358 3.281 10 5 EGBERN CCOc1ccc(C(=O)NCc2oc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000597684165 460025746 /nfs/dbraw/zinc/02/57/46/460025746.db2.gz IEVDUJLQSOWXHB-UHFFFAOYSA-N 0 0 347.371 3.343 10 5 EGBERN Cc1ccnc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C1CC1 ZINC000598765794 460026817 /nfs/dbraw/zinc/02/68/17/460026817.db2.gz UQYLVKLTVISCPM-UHFFFAOYSA-N 0 0 329.331 3.496 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000597695536 460031299 /nfs/dbraw/zinc/03/12/99/460031299.db2.gz TZNKEBVJCJGPDO-CYBMUJFWSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000598801723 460040465 /nfs/dbraw/zinc/04/04/65/460040465.db2.gz NRJUMYLNFNWJNP-HOTGVXAUSA-N 0 0 326.352 3.272 10 5 EGBERN CC[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000593986944 460041766 /nfs/dbraw/zinc/04/17/66/460041766.db2.gz ARJLKCNZSIQREM-CQSZACIVSA-N 0 0 330.388 3.427 10 5 EGBERN Cc1ccc(COCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000598816008 460049290 /nfs/dbraw/zinc/04/92/90/460049290.db2.gz XNJCWSPIAMTRAH-UHFFFAOYSA-N 0 0 340.379 3.399 10 5 EGBERN C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000610046991 460055158 /nfs/dbraw/zinc/05/51/58/460055158.db2.gz UWZDYAQDUWZMNE-HNNXBMFYSA-N 0 0 329.400 3.487 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610087122 460061180 /nfs/dbraw/zinc/06/11/80/460061180.db2.gz PSDDNQJLKPJMES-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN CCOC(=O)c1c(C)onc1CSc1ccc([N+](=O)[O-])cc1F ZINC000589256535 460062658 /nfs/dbraw/zinc/06/26/58/460062658.db2.gz RYYMAQVVWMOBOI-UHFFFAOYSA-N 0 0 340.332 3.499 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610186958 460076355 /nfs/dbraw/zinc/07/63/55/460076355.db2.gz RZEFXAJZKYPWGZ-JKSUJKDBSA-N 0 0 340.379 3.355 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594058584 460079679 /nfs/dbraw/zinc/07/96/79/460079679.db2.gz KACMGDIRNORYLH-JKSUJKDBSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)c1ccccn1 ZINC000597865290 460085458 /nfs/dbraw/zinc/08/54/58/460085458.db2.gz RGWQSRNPDXNTRQ-CYBMUJFWSA-N 0 0 327.384 3.449 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594071348 460085954 /nfs/dbraw/zinc/08/59/54/460085954.db2.gz ZJAZJGOZTSHMLA-DLBZAZTESA-N 0 0 332.400 3.289 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc3c2CCCC3)c1 ZINC000597871034 460089398 /nfs/dbraw/zinc/08/93/98/460089398.db2.gz UCVDQJLTDZQPLD-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN COc1ccc(NC(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594079033 460090950 /nfs/dbraw/zinc/09/09/50/460090950.db2.gz PYMOMRQUTUTDTP-CYBMUJFWSA-N 0 0 349.387 3.217 10 5 EGBERN CNc1ccc(C(=O)N[C@H](C)c2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC000610243105 460093595 /nfs/dbraw/zinc/09/35/95/460093595.db2.gz BUQDDXWTDUTZGP-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3C[C@H]2C)c1 ZINC000589501962 460094805 /nfs/dbraw/zinc/09/48/05/460094805.db2.gz MCONTSUBBULCQJ-CYBMUJFWSA-N 0 0 340.379 3.328 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]2c2ccccc2)c1 ZINC000589494363 460096222 /nfs/dbraw/zinc/09/62/22/460096222.db2.gz LWKDKFPXXDRLRM-INIZCTEOSA-N 0 0 326.352 3.328 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCc4cccnc43)cc2N1 ZINC000598945177 460098246 /nfs/dbraw/zinc/09/82/46/460098246.db2.gz GCENCZUBSJZTDE-ZDUSSCGKSA-N 0 0 338.367 3.016 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598949459 460098825 /nfs/dbraw/zinc/09/88/25/460098825.db2.gz CDHQMJFLYLXEMS-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000589518581 460099136 /nfs/dbraw/zinc/09/91/36/460099136.db2.gz WUBDNYQRNQYOOZ-INIZCTEOSA-N 0 0 341.367 3.114 10 5 EGBERN CCOc1cc(CNCc2ccc([N+](=O)[O-])cc2)c(F)cc1OC ZINC000598954308 460100224 /nfs/dbraw/zinc/10/02/24/460100224.db2.gz AEXDPKBCRPLURV-UHFFFAOYSA-N 0 0 334.347 3.431 10 5 EGBERN O=C(NCC1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598957145 460102660 /nfs/dbraw/zinc/10/26/60/460102660.db2.gz XXVJJWXSJCFVSB-UHFFFAOYSA-N 0 0 346.362 3.230 10 5 EGBERN CCc1cnc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC000610281259 460106539 /nfs/dbraw/zinc/10/65/39/460106539.db2.gz PFZATBHQEPFZET-UHFFFAOYSA-N 0 0 336.392 3.079 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000610282277 460107030 /nfs/dbraw/zinc/10/70/30/460107030.db2.gz JLPPYLRLJMUOQT-UHFFFAOYSA-N 0 0 329.747 3.054 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597925663 460114562 /nfs/dbraw/zinc/11/45/62/460114562.db2.gz WQDZEXUWBOSJLL-SFHVURJKSA-N 0 0 332.400 3.161 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000594136432 460120851 /nfs/dbraw/zinc/12/08/51/460120851.db2.gz WWIORCZGORKECK-XYPYZODXSA-N 0 0 338.429 3.393 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000594141058 460123126 /nfs/dbraw/zinc/12/31/26/460123126.db2.gz UCXVIWCMPCXCPS-CYBMUJFWSA-N 0 0 336.432 3.440 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000597955443 460126490 /nfs/dbraw/zinc/12/64/90/460126490.db2.gz PFZGRMQTTUALCL-UHFFFAOYSA-N 0 0 334.420 3.457 10 5 EGBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594172386 460136151 /nfs/dbraw/zinc/13/61/51/460136151.db2.gz AFKHYUROHCGQMR-NSHDSACASA-N 0 0 342.342 3.304 10 5 EGBERN CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000594171807 460136829 /nfs/dbraw/zinc/13/68/29/460136829.db2.gz BFWCHADOLYKOBX-UKRRQHHQSA-N 0 0 332.356 3.419 10 5 EGBERN CSC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC000599049268 460141476 /nfs/dbraw/zinc/14/14/76/460141476.db2.gz OFMYIIHCZYHYNZ-UHFFFAOYSA-N 0 0 333.413 3.467 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](c2ccco2)C1 ZINC000589836932 460146395 /nfs/dbraw/zinc/14/63/95/460146395.db2.gz KYZPUPZGQWVEKT-SNVBAGLBSA-N 0 0 336.294 3.025 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594212261 460154089 /nfs/dbraw/zinc/15/40/89/460154089.db2.gz LZWFIDBTRGULDR-RCBQFDQVSA-N 0 0 335.404 3.303 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000599118887 460166356 /nfs/dbraw/zinc/16/63/56/460166356.db2.gz LNSBOQJOWLXQEE-CQSZACIVSA-N 0 0 328.368 3.125 10 5 EGBERN CC1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC=CC1 ZINC000594242411 460168161 /nfs/dbraw/zinc/16/81/61/460168161.db2.gz AATLBNJIWCUJLC-UHFFFAOYSA-N 0 0 328.372 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599145809 460175480 /nfs/dbraw/zinc/17/54/80/460175480.db2.gz AZYLLAKXPDQDPK-TZMCWYRMSA-N 0 0 349.431 3.411 10 5 EGBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599166906 460184688 /nfs/dbraw/zinc/18/46/88/460184688.db2.gz WBMLAGZOGLIUGZ-HZMBPMFUSA-N 0 0 342.779 3.018 10 5 EGBERN CC(C)(C)Oc1cc(N2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599168652 460185411 /nfs/dbraw/zinc/18/54/11/460185411.db2.gz IBGOGSFVKSBEQW-CYBMUJFWSA-N 0 0 326.368 3.337 10 5 EGBERN O=C(NCc1cccc(OC2CC2)c1F)c1csc([N+](=O)[O-])c1 ZINC000598140372 460186455 /nfs/dbraw/zinc/18/64/55/460186455.db2.gz PGYIGKJEMHCRJK-UHFFFAOYSA-N 0 0 336.344 3.267 10 5 EGBERN CC(C)(C)Oc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000599174165 460187567 /nfs/dbraw/zinc/18/75/67/460187567.db2.gz LQXYVDNCMISAAX-SCLBCKFNSA-N 0 0 334.416 3.371 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000599174651 460187994 /nfs/dbraw/zinc/18/79/94/460187994.db2.gz XCYGLRDFNUVBJN-ZDUSSCGKSA-N 0 0 346.774 3.232 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC(Cc2ccccc2Br)C1 ZINC000599183932 460191213 /nfs/dbraw/zinc/19/12/13/460191213.db2.gz FJKNAUHZTGYXPV-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN COc1cc(-c2nc(-c3coc(C4CC4)n3)no2)c([N+](=O)[O-])cc1F ZINC000599184214 460191302 /nfs/dbraw/zinc/19/13/02/460191302.db2.gz JZVYLZHUEIEZRZ-UHFFFAOYSA-N 0 0 346.274 3.325 10 5 EGBERN CCc1ccc(-c2nc([C@H](C)c3cnccn3)no2)cc1[N+](=O)[O-] ZINC000599193989 460195086 /nfs/dbraw/zinc/19/50/86/460195086.db2.gz IEHLXBZZXMTITH-SNVBAGLBSA-N 0 0 325.328 3.149 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](c3ccc(O)cc3)C1)CCN2 ZINC000599191204 460195192 /nfs/dbraw/zinc/19/51/92/460195192.db2.gz JECGUSZJINJOOK-CYBMUJFWSA-N 0 0 325.368 3.262 10 5 EGBERN Cc1c(CC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000598199366 460201632 /nfs/dbraw/zinc/20/16/32/460201632.db2.gz HCBALMATEHXSOO-JCNLHEQBSA-N 0 0 340.379 3.172 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@]2(C)CC2(F)F)c1 ZINC000598214119 460206654 /nfs/dbraw/zinc/20/66/54/460206654.db2.gz CBRDJUHNWDADSU-HNNXBMFYSA-N 0 0 342.342 3.224 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](CCF)C1 ZINC000598222847 460211218 /nfs/dbraw/zinc/21/12/18/460211218.db2.gz CVBKXHIZVPKQID-LBPRGKRZSA-N 0 0 333.363 3.217 10 5 EGBERN Cc1ccc(CNc2cccnc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000610677997 460213581 /nfs/dbraw/zinc/21/35/81/460213581.db2.gz VWQRZIJUJGEWKL-AWEZNQCLSA-N 0 0 343.383 3.326 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480959 460260329 /nfs/dbraw/zinc/26/03/29/460260329.db2.gz UGVSOTQLXPRIIS-CQSZACIVSA-N 0 0 349.412 3.036 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000610979637 460270106 /nfs/dbraw/zinc/27/01/06/460270106.db2.gz JLTOGQFFAPRDRX-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000611033735 460280366 /nfs/dbraw/zinc/28/03/66/460280366.db2.gz GYALCKIDOUPDRK-KRWDZBQOSA-N 0 0 346.408 3.010 10 5 EGBERN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000599597005 460284534 /nfs/dbraw/zinc/28/45/34/460284534.db2.gz TUJTYYIDVIZBDK-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN Cn1ncc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C(F)F ZINC000611158534 460298611 /nfs/dbraw/zinc/29/86/11/460298611.db2.gz GEPOQCOLEKIELF-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN Cc1c(NC(=O)Nc2cnn(C)c2C(F)F)cccc1[N+](=O)[O-] ZINC000611159374 460298560 /nfs/dbraw/zinc/29/85/60/460298560.db2.gz GENIAUMDJDOESR-UHFFFAOYSA-N 0 0 325.275 3.218 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000619254985 460314851 /nfs/dbraw/zinc/31/48/51/460314851.db2.gz RWBDDQBDXARQFL-OAHLLOKOSA-N 0 0 348.424 3.454 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702956 460316512 /nfs/dbraw/zinc/31/65/12/460316512.db2.gz VOWPMFOUIBWBFR-VXFNFUGZSA-N 0 0 327.768 3.182 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)OCc2ccccc2C)cc1[N+](=O)[O-] ZINC000599744365 460325550 /nfs/dbraw/zinc/32/55/50/460325550.db2.gz KFYKSQWEXXBHNI-CYBMUJFWSA-N 0 0 344.367 3.456 10 5 EGBERN COC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829815 460343240 /nfs/dbraw/zinc/34/32/40/460343240.db2.gz MDLHBYSWNXIMNU-LBPRGKRZSA-N 0 0 344.371 3.033 10 5 EGBERN CO[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832491 460344143 /nfs/dbraw/zinc/34/41/43/460344143.db2.gz DJSUTUXVPVFGSH-BZNIZROVSA-N 0 0 344.371 3.080 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCCO1 ZINC000599831794 460344204 /nfs/dbraw/zinc/34/42/04/460344204.db2.gz AEJFYBKGTIKESQ-XJKSGUPXSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599840306 460346263 /nfs/dbraw/zinc/34/62/63/460346263.db2.gz ROFXYEHNNQNPPX-NWDGAFQWSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H](O)C(C)C ZINC000599838586 460346313 /nfs/dbraw/zinc/34/63/13/460346313.db2.gz KTUSZRSJACYGPJ-XJKSGUPXSA-N 0 0 346.387 3.060 10 5 EGBERN CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599841239 460347045 /nfs/dbraw/zinc/34/70/45/460347045.db2.gz WKIXHCHGKNFSMP-BDJLRTHQSA-N 0 0 344.371 3.032 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CCN(C)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611408056 460357398 /nfs/dbraw/zinc/35/73/98/460357398.db2.gz ILCBETFJXZUWRD-CJNGLKHVSA-N 0 0 339.395 3.396 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000619516749 460373268 /nfs/dbraw/zinc/37/32/68/460373268.db2.gz FRZKBLNDNHAGRV-QLJPJBMISA-N 0 0 326.327 3.351 10 5 EGBERN C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611505551 460380142 /nfs/dbraw/zinc/38/01/42/460380142.db2.gz CQEBYUKPIPKEKT-ZYHUDNBSSA-N 0 0 344.770 3.224 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000611515385 460384950 /nfs/dbraw/zinc/38/49/50/460384950.db2.gz YRZTXZDUTCLROF-CQSZACIVSA-N 0 0 332.360 3.022 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611585101 460410324 /nfs/dbraw/zinc/41/03/24/460410324.db2.gz DLHHVBQAJSFMOK-SNVBAGLBSA-N 0 0 346.355 3.161 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3F)C2)n1 ZINC000611615887 460414041 /nfs/dbraw/zinc/41/40/41/460414041.db2.gz FMZVOGCEMGZUDS-HNNXBMFYSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000611617478 460414799 /nfs/dbraw/zinc/41/47/99/460414799.db2.gz ZKARTDVMTJZTGA-IUODEOHRSA-N 0 0 349.337 3.197 10 5 EGBERN CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1[N+](=O)[O-] ZINC000600206943 460440203 /nfs/dbraw/zinc/44/02/03/460440203.db2.gz IFIILAFPMYCRTG-HUYGQZFBSA-N 0 0 336.457 3.204 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000604562432 460449108 /nfs/dbraw/zinc/44/91/08/460449108.db2.gz NWTXSBDYPAQLFR-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN COc1cc(N2CC[C@@H](Cc3ccncc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611763907 460455432 /nfs/dbraw/zinc/45/54/32/460455432.db2.gz OUKPBVXQZGLZCW-ZDUSSCGKSA-N 0 0 331.347 3.207 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)C[C@H]2C)n1 ZINC000616066299 460463503 /nfs/dbraw/zinc/46/35/03/460463503.db2.gz WMANXUXMYRDESZ-CQSZACIVSA-N 0 0 344.390 3.461 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600275397 460463530 /nfs/dbraw/zinc/46/35/30/460463530.db2.gz CKKPVDGESMHWID-OLZOCXBDSA-N 0 0 332.381 3.451 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC(Cc2ccco2)C1 ZINC000600370659 460485253 /nfs/dbraw/zinc/48/52/53/460485253.db2.gz SPSDVRDHCPDOLC-UHFFFAOYSA-N 0 0 334.759 3.085 10 5 EGBERN CCC(F)(F)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600379634 460486621 /nfs/dbraw/zinc/48/66/21/460486621.db2.gz IRJXEPAJGXXYLY-UHFFFAOYSA-N 0 0 326.221 3.389 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000600437224 460495527 /nfs/dbraw/zinc/49/55/27/460495527.db2.gz BVNOQZWLLQQFLT-QWHCGFSZSA-N 0 0 332.381 3.341 10 5 EGBERN CC(C)(C)N1CC[C@@H](SCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000600569471 460527571 /nfs/dbraw/zinc/52/75/71/460527571.db2.gz OSEMLKIBNJROEH-CQSZACIVSA-N 0 0 338.429 3.106 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)SCc2ccccn2)c([N+](=O)[O-])c1 ZINC000600581871 460533071 /nfs/dbraw/zinc/53/30/71/460533071.db2.gz UQWNMSNYXHBSEO-NSHDSACASA-N 0 0 347.396 3.259 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](CC(F)(F)F)C1 ZINC000601154304 460735127 /nfs/dbraw/zinc/73/51/27/460735127.db2.gz GIAGWWADVCCQFS-LURJTMIESA-N 0 0 346.231 3.126 10 5 EGBERN CC(C)[C@@H]1N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC12CCC2 ZINC000601168056 460738243 /nfs/dbraw/zinc/73/82/43/460738243.db2.gz NFSVFRPSDXRQSI-NSHDSACASA-N 0 0 332.326 3.362 10 5 EGBERN CC(C)(C)OC(=O)C1(C)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601181971 460741789 /nfs/dbraw/zinc/74/17/89/460741789.db2.gz QBZLSMKHASCYTC-UHFFFAOYSA-N 0 0 339.367 3.077 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)nc2c1 ZINC000601190014 460744642 /nfs/dbraw/zinc/74/46/42/460744642.db2.gz ZCABMTMAFCFSSD-XYPHTWIQSA-N 0 0 344.415 3.381 10 5 EGBERN O=C(c1cccc(Oc2ncc(F)cc2[N+](=O)[O-])c1)N1CCCC1 ZINC000601196679 460747809 /nfs/dbraw/zinc/74/78/09/460747809.db2.gz ROYYFWUXPBISAH-UHFFFAOYSA-N 0 0 331.303 3.157 10 5 EGBERN Cn1cc(CC2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cn1 ZINC000601199717 460748665 /nfs/dbraw/zinc/74/86/65/460748665.db2.gz ZWBOJEYRVJAVRS-UHFFFAOYSA-N 0 0 340.305 3.026 10 5 EGBERN Cc1cnc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000601208779 460751288 /nfs/dbraw/zinc/75/12/88/460751288.db2.gz KPLOKSRIFIKXDH-LBPRGKRZSA-N 0 0 341.289 3.463 10 5 EGBERN CCn1nc(C)c(CN(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)c1C ZINC000601211254 460752141 /nfs/dbraw/zinc/75/21/41/460752141.db2.gz XSPGWRBNZOACBN-UHFFFAOYSA-N 0 0 347.419 3.247 10 5 EGBERN Cc1cc(N2CCO[C@@H](C(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000601230969 460759082 /nfs/dbraw/zinc/75/90/82/460759082.db2.gz GOBWXPSMQYKDQJ-CQSZACIVSA-N 0 0 337.326 3.312 10 5 EGBERN O=C(Nc1cnn(CC2CC2)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601261057 460769049 /nfs/dbraw/zinc/76/90/49/460769049.db2.gz JKARNFWJPNVIGL-UHFFFAOYSA-N 0 0 340.383 3.262 10 5 EGBERN Cc1c(-c2noc(-c3cn4c(n3)C[C@@H](C)CC4)n2)cccc1[N+](=O)[O-] ZINC000601380283 460799840 /nfs/dbraw/zinc/79/98/40/460799840.db2.gz LMKDPTHDQJYLEV-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000617349979 460825616 /nfs/dbraw/zinc/82/56/16/460825616.db2.gz MIGOQTPUHLHDAA-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2C(C)C)n1 ZINC000617382132 460838421 /nfs/dbraw/zinc/83/84/21/460838421.db2.gz VGAMWRBKURYMFG-QGZVFWFLSA-N 0 0 342.399 3.207 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2nccn21 ZINC000601616654 460848457 /nfs/dbraw/zinc/84/84/57/460848457.db2.gz FNTFTLYWWOMOJT-SWLSCSKDSA-N 0 0 340.383 3.035 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000617408678 460851609 /nfs/dbraw/zinc/85/16/09/460851609.db2.gz YYSFAXWJDCWTNY-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)n1 ZINC000601715442 460881414 /nfs/dbraw/zinc/88/14/14/460881414.db2.gz QZOINCVGEYVMRN-LBPRGKRZSA-N 0 0 328.372 3.257 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000601762878 460891763 /nfs/dbraw/zinc/89/17/63/460891763.db2.gz ANMOEWVPPKOGOB-UHIISALHSA-N 0 0 338.429 3.391 10 5 EGBERN CC[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601773634 460894029 /nfs/dbraw/zinc/89/40/29/460894029.db2.gz AGOZFGALVSNHPY-IEBWSBKVSA-N 0 0 342.395 3.112 10 5 EGBERN Cc1[nH]nc(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000601796668 460900840 /nfs/dbraw/zinc/90/08/40/460900840.db2.gz REJJPCKTPJFPOC-UHFFFAOYSA-N 0 0 334.763 3.218 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000601836230 460918522 /nfs/dbraw/zinc/91/85/22/460918522.db2.gz FCJBJLDSOGYTIL-QWHCGFSZSA-N 0 0 346.364 3.185 10 5 EGBERN COc1cccc(OC(F)(F)F)c1NCc1onc(C)c1[N+](=O)[O-] ZINC000601928354 460947148 /nfs/dbraw/zinc/94/71/48/460947148.db2.gz VYGKSKWTXHMXLP-UHFFFAOYSA-N 0 0 347.249 3.411 10 5 EGBERN C[C@@H](C(=O)N1CC[C@H](Cc2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762849 460970310 /nfs/dbraw/zinc/97/03/10/460970310.db2.gz DUZPINIVEBJMAD-GDBMZVCRSA-N 0 0 339.395 3.185 10 5 EGBERN CC(C)Cn1ccnc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705049 469305861 /nfs/dbraw/zinc/30/58/61/469305861.db2.gz DKSKKRUJULTTCK-UHFFFAOYSA-N 0 0 326.360 3.003 10 5 EGBERN COc1cc(CSC(=S)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000183833647 533917163 /nfs/dbraw/zinc/91/71/63/533917163.db2.gz DZQUNDSNWIUTMY-UHFFFAOYSA-N 0 0 330.406 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCc1ccccn1 ZINC000191347310 534055058 /nfs/dbraw/zinc/05/50/58/534055058.db2.gz MNOIBDPOFCJIMV-UHFFFAOYSA-N 0 0 328.372 3.361 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000191411145 534055584 /nfs/dbraw/zinc/05/55/84/534055584.db2.gz INMPOLQTXJCJCM-HNNXBMFYSA-N 0 0 343.383 3.109 10 5 EGBERN CCC1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000183865543 527797878 /nfs/dbraw/zinc/79/78/78/527797878.db2.gz BBSBFWMFKYFPTB-UHFFFAOYSA-N 0 0 327.178 3.420 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000187098158 536950992 /nfs/dbraw/zinc/95/09/92/536950992.db2.gz PFLVVIUFUMRAGG-CQSZACIVSA-N 0 0 347.396 3.346 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2c1 ZINC000344751148 536963000 /nfs/dbraw/zinc/96/30/00/536963000.db2.gz VUYOTBFOPVCSFC-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN Cc1ccc(/C=C\S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000726794271 574571894 /nfs/dbraw/zinc/57/18/94/574571894.db2.gz DJPIQCKDMNZYLO-HJWRWDBZSA-N 0 0 337.328 3.422 10 5 EGBERN Cc1cc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)c(N)c([N+](=O)[O-])c1 ZINC000727899060 574699906 /nfs/dbraw/zinc/69/99/06/574699906.db2.gz GEJVDIKUZPKRQR-SECBINFHSA-N 0 0 348.359 3.084 10 5 EGBERN CCC(CC)N(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(C)c(C)c1 ZINC000728468899 574751939 /nfs/dbraw/zinc/75/19/39/574751939.db2.gz BHGRSCYCCMPMRZ-UHFFFAOYSA-N 0 0 345.403 3.025 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000728503397 574755311 /nfs/dbraw/zinc/75/53/11/574755311.db2.gz VAGXUUPDXFKCIW-LSDHHAIUSA-N 0 0 335.360 3.448 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728502734 574755611 /nfs/dbraw/zinc/75/56/11/574755611.db2.gz OGUVVABRNIMCGO-DZGCQCFKSA-N 0 0 338.379 3.444 10 5 EGBERN COc1ccccc1CCN(C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000729161970 574819820 /nfs/dbraw/zinc/81/98/20/574819820.db2.gz ANOVLFJWAMSBDI-UHFFFAOYSA-N 0 0 345.424 3.475 10 5 EGBERN O=C(OCc1ccc2c(c1)OCCO2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000730644422 575008242 /nfs/dbraw/zinc/00/82/42/575008242.db2.gz RCXPBGCLOKTDJG-UHFFFAOYSA-N 0 0 349.726 3.376 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000196379442 575315914 /nfs/dbraw/zinc/31/59/14/575315914.db2.gz DBQWUVHJQIFESH-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2nc(-c3ccncc3)cs2)cs1 ZINC000733331249 575328747 /nfs/dbraw/zinc/32/87/47/575328747.db2.gz HYXIQJDUSFCFQY-UHFFFAOYSA-N 0 0 332.410 3.465 10 5 EGBERN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000733604509 575372189 /nfs/dbraw/zinc/37/21/89/575372189.db2.gz HBLXQQXSPOOZPZ-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN CC(=O)Nc1cccc(F)c1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000734195948 575455715 /nfs/dbraw/zinc/45/57/15/575455715.db2.gz BMELZMNTTSKZPT-UHFFFAOYSA-N 0 0 338.316 3.111 10 5 EGBERN O=C(OCc1ccc2c(c1)CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000734564400 575515076 /nfs/dbraw/zinc/51/50/76/575515076.db2.gz SDTQKMPMJHRFOC-UHFFFAOYSA-N 0 0 341.319 3.169 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000734893830 575572240 /nfs/dbraw/zinc/57/22/40/575572240.db2.gz QCTUTRUINXVUOE-LLVKDONJSA-N 0 0 337.763 3.366 10 5 EGBERN C[C@@H](COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000735137233 575604439 /nfs/dbraw/zinc/60/44/39/575604439.db2.gz SVGXYLQCHNOWCV-LBPRGKRZSA-N 0 0 333.315 3.460 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H](C)n1cccc1 ZINC000735207356 575621736 /nfs/dbraw/zinc/62/17/36/575621736.db2.gz IAGDOCQEHCSQHY-CYBMUJFWSA-N 0 0 332.356 3.490 10 5 EGBERN COCc1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000735900820 575733330 /nfs/dbraw/zinc/73/33/30/575733330.db2.gz JCWOXCVNUDQNBF-UHFFFAOYSA-N 0 0 325.704 3.345 10 5 EGBERN CC(=O)CCC(C)(C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000755834133 575907271 /nfs/dbraw/zinc/90/72/71/575907271.db2.gz HIGAFQLTMXURRW-UHFFFAOYSA-N 0 0 337.372 3.221 10 5 EGBERN CC[C@H](C)C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000756331970 576072015 /nfs/dbraw/zinc/07/20/15/576072015.db2.gz XCBQBCINOQQENL-QMMMGPOBSA-N 0 0 344.161 3.129 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000741751206 576716727 /nfs/dbraw/zinc/71/67/27/576716727.db2.gz CDHLVVQHPFPDKZ-UHFFFAOYSA-N 0 0 348.330 3.498 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)C)CC2)c1 ZINC000742407341 576780789 /nfs/dbraw/zinc/78/07/89/576780789.db2.gz LKOXGQZLOXHHAC-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN CCOc1ccc(C(=O)Oc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000744322262 576825436 /nfs/dbraw/zinc/82/54/36/576825436.db2.gz DXJFXPHDAZDLPZ-UHFFFAOYSA-N 0 0 347.323 3.230 10 5 EGBERN COc1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000011028729 1291122677 /nfs/dbraw/zinc/12/26/77/1291122677.db2.gz PHDIWFHESIOMHQ-UHFFFAOYSA-N 0 0 349.726 3.297 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000127370925 1293561784 /nfs/dbraw/zinc/56/17/84/1293561784.db2.gz HYCGXKQRDQQQRJ-ZDUSSCGKSA-N 0 0 346.358 3.341 10 5 EGBERN Cc1cccc(OS(=O)(=O)c2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000134196692 1293766021 /nfs/dbraw/zinc/76/60/21/1293766021.db2.gz OADVARDITRFHFZ-UHFFFAOYSA-N 0 0 325.317 3.118 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000176679989 1294623179 /nfs/dbraw/zinc/62/31/79/1294623179.db2.gz IYPOYZSXAQAGEF-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(C2CC2)c1=O ZINC000869990977 1295583253 /nfs/dbraw/zinc/58/32/53/1295583253.db2.gz BWBNNJYMXWOQFU-UHFFFAOYSA-N 0 0 348.742 3.102 10 5 EGBERN O=C(OCCSc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@H]1OCC2 ZINC000870279158 1295784679 /nfs/dbraw/zinc/78/46/79/1295784679.db2.gz QLQCKCQPSQOVFH-ZBFHGGJFSA-N 0 0 337.397 3.189 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000870524675 1295925309 /nfs/dbraw/zinc/92/53/09/1295925309.db2.gz YSRIUMZCUMNIFN-UHFFFAOYSA-N 0 0 338.791 3.055 10 5 EGBERN Cc1c(C(=O)OCc2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000870607727 1295972819 /nfs/dbraw/zinc/97/28/19/1295972819.db2.gz KNNQNQXFILCOHS-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000870700279 1296027467 /nfs/dbraw/zinc/02/74/67/1296027467.db2.gz GLOYEZVXXVXWNW-ZDUSSCGKSA-N 0 0 331.372 3.411 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000870706047 1296031402 /nfs/dbraw/zinc/03/14/02/1296031402.db2.gz KFZWCCWFVUVIIL-YRGRVCCFSA-N 0 0 338.429 3.101 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000870718562 1296041484 /nfs/dbraw/zinc/04/14/84/1296041484.db2.gz PJORCLZJQIWXIZ-TVQRCGJNSA-N 0 0 346.305 3.253 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000870722972 1296044096 /nfs/dbraw/zinc/04/40/96/1296044096.db2.gz RVOQEQOZMQLZSI-WCQYABFASA-N 0 0 338.379 3.037 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1F ZINC000870826420 1296104637 /nfs/dbraw/zinc/10/46/37/1296104637.db2.gz ASHULNWUSPRLJO-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN C[C@@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000870830206 1296107973 /nfs/dbraw/zinc/10/79/73/1296107973.db2.gz WPXMMIGTPYKPEZ-DCBWTQNWSA-N 0 0 347.346 3.371 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCCS1 ZINC000871035788 1296189434 /nfs/dbraw/zinc/18/94/34/1296189434.db2.gz SRSAHRLHSSYLGH-JTQLQIEISA-N 0 0 346.811 3.332 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccnn1CC1CCC1 ZINC000871193468 1296266204 /nfs/dbraw/zinc/26/62/04/1296266204.db2.gz PRRLYBUKHVNJKO-TWGQIWQCSA-N 0 0 326.356 3.243 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871303179 1296332633 /nfs/dbraw/zinc/33/26/33/1296332633.db2.gz XBNNHAJZPBRINA-ABAIWWIYSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871335544 1296358592 /nfs/dbraw/zinc/35/85/92/1296358592.db2.gz LOUYORSTPVFDGG-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN Nc1c(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000871372414 1296376251 /nfs/dbraw/zinc/37/62/51/1296376251.db2.gz QXCOODRBKSMBAS-SFHVURJKSA-N 0 0 343.358 3.278 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871586098 1296443736 /nfs/dbraw/zinc/44/37/36/1296443736.db2.gz FPQRBPCNJRVASO-HYVNUMGLSA-N 0 0 344.411 3.021 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871586097 1296444199 /nfs/dbraw/zinc/44/41/99/1296444199.db2.gz FPQRBPCNJRVASO-BHYGNILZSA-N 0 0 344.411 3.021 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(F)cc1OCc1nccn1CC(F)F ZINC000871671507 1296475057 /nfs/dbraw/zinc/47/50/57/1296475057.db2.gz PMTPHKCIXUAKPD-UHFFFAOYSA-N 0 0 335.669 3.428 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OCc2cc3n(n2)CCCC3)cc1Cl ZINC000871694292 1296483775 /nfs/dbraw/zinc/48/37/75/1296483775.db2.gz KHHKBZOEHKKRTE-UHFFFAOYSA-N 0 0 325.727 3.499 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871693446 1296483815 /nfs/dbraw/zinc/48/38/15/1296483815.db2.gz ADJVGZMVAWBGBY-KXUCPTDWSA-N 0 0 343.177 3.089 10 5 EGBERN CC(C)Cn1ncnc1COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694454 1296485031 /nfs/dbraw/zinc/48/50/31/1296485031.db2.gz MLTAHNCEVBOHBK-UHFFFAOYSA-N 0 0 328.731 3.214 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000871751551 1296516283 /nfs/dbraw/zinc/51/62/83/1296516283.db2.gz JZPOVKPXIWGBCL-QGZVFWFLSA-N 0 0 345.351 3.343 10 5 EGBERN CC(=O)c1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277537 1296786533 /nfs/dbraw/zinc/78/65/33/1296786533.db2.gz MLUCLADDJXEQKY-KRWDZBQOSA-N 0 0 340.379 3.451 10 5 EGBERN CN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)Cc2cccnc21 ZINC000872266698 1296870687 /nfs/dbraw/zinc/87/06/87/1296870687.db2.gz BCJBLGVNAVCHJO-UHFFFAOYSA-N 0 0 332.791 3.095 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1ccnn1C(F)F ZINC000873552450 1297578415 /nfs/dbraw/zinc/57/84/15/1297578415.db2.gz RPNPFKBZNHSUJC-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000694913993 1298156385 /nfs/dbraw/zinc/15/63/85/1298156385.db2.gz XJBKPTLERAXDJA-MNOVXSKESA-N 0 0 343.221 3.357 10 5 EGBERN C[C@H](CCC1CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879510803 1300572764 /nfs/dbraw/zinc/57/27/64/1300572764.db2.gz KBFPSJKXHWZPBQ-LLVKDONJSA-N 0 0 334.372 3.065 10 5 EGBERN Cc1cc(OCC(=O)NCC(C)(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000881536620 1301603673 /nfs/dbraw/zinc/60/36/73/1301603673.db2.gz HCFDDIGVBLUCJM-UHFFFAOYSA-N 0 0 330.331 3.080 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](c2nccs2)C1 ZINC000881697967 1301692046 /nfs/dbraw/zinc/69/20/46/1301692046.db2.gz BYOSVGIODBVIMJ-SNVBAGLBSA-N 0 0 342.380 3.162 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000882463244 1301981552 /nfs/dbraw/zinc/98/15/52/1301981552.db2.gz IRVPQKQBFTXQGA-QMCVQRASSA-N 0 0 332.400 3.020 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](Oc2ccccc2)C1 ZINC000882514053 1301999697 /nfs/dbraw/zinc/99/96/97/1301999697.db2.gz UJLNNYYZRGCHDK-HNNXBMFYSA-N 0 0 326.352 3.455 10 5 EGBERN C/C(=C\C(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000887552185 1303852525 /nfs/dbraw/zinc/85/25/25/1303852525.db2.gz OLFMRZUYTWGVSF-FVOQVABISA-N 0 0 332.400 3.056 10 5 EGBERN O=C(C[C@H]1CCC2(CCC2)O1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000889470753 1304492380 /nfs/dbraw/zinc/49/23/80/1304492380.db2.gz WEKXNFWBOSGOSS-CYBMUJFWSA-N 0 0 338.791 3.356 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000890384533 1304769267 /nfs/dbraw/zinc/76/92/67/1304769267.db2.gz OKKMVMPHELYTIA-CYBMUJFWSA-N 0 0 334.372 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c1C ZINC000893174981 1305745181 /nfs/dbraw/zinc/74/51/81/1305745181.db2.gz GOTGVIJTNADJPS-GJZGRUSLSA-N 0 0 332.400 3.004 10 5 EGBERN CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC(F)(F)C1 ZINC000893358983 1305846308 /nfs/dbraw/zinc/84/63/08/1305846308.db2.gz LDGQNUQSTIOLFN-UHFFFAOYSA-N 0 0 332.734 3.342 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000893516688 1305944965 /nfs/dbraw/zinc/94/49/65/1305944965.db2.gz AEDXXSKQJBREAJ-SMDDNHRTSA-N 0 0 347.396 3.269 10 5 EGBERN COCC1CC(OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000893639600 1306000365 /nfs/dbraw/zinc/00/03/65/1306000365.db2.gz MSQNYWNSDAVMQF-UHFFFAOYSA-N 0 0 333.262 3.195 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893885730 1306112371 /nfs/dbraw/zinc/11/23/71/1306112371.db2.gz HAFPAUCWPWTENG-HIFRSBDPSA-N 0 0 342.399 3.043 10 5 EGBERN CCc1[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894193469 1306270205 /nfs/dbraw/zinc/27/02/05/1306270205.db2.gz QFPIEUISQLYAIK-LLVKDONJSA-N 0 0 331.372 3.123 10 5 EGBERN Cc1nn(C)c(C(=O)N(c2ccc(C)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000894229891 1306291030 /nfs/dbraw/zinc/29/10/30/1306291030.db2.gz ZUQBYYDLLYCDCN-UHFFFAOYSA-N 0 0 328.372 3.144 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000894301181 1306330663 /nfs/dbraw/zinc/33/06/63/1306330663.db2.gz TYTUWJQYHNKVOQ-ACJLOTCBSA-N 0 0 342.399 3.100 10 5 EGBERN C[C@H](C(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000894502656 1308926170 /nfs/dbraw/zinc/92/61/70/1308926170.db2.gz DOVXLQBCSMKKMZ-AAEUAGOBSA-N 0 0 338.379 3.159 10 5 EGBERN Cc1cccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894672224 1309016214 /nfs/dbraw/zinc/01/62/14/1309016214.db2.gz GQFRCLLJRJVYDO-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)c([N+](=O)[O-])c1 ZINC000895191542 1309232663 /nfs/dbraw/zinc/23/26/63/1309232663.db2.gz AYJFKSJCMQHVLL-HNNXBMFYSA-N 0 0 328.372 3.479 10 5 EGBERN CC(=O)c1ccc(N[C@@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000895893694 1309583747 /nfs/dbraw/zinc/58/37/47/1309583747.db2.gz ZPKDXJDUVOKBSA-INIZCTEOSA-N 0 0 342.399 3.297 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1OC(F)F ZINC000896077386 1309689262 /nfs/dbraw/zinc/68/92/62/1309689262.db2.gz JLQGDJRZBGJPOX-UMNHJUIQSA-N 0 0 326.299 3.199 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)[C@@H]2C1 ZINC000897011496 1310133978 /nfs/dbraw/zinc/13/39/78/1310133978.db2.gz UUSJUTDAEPQKIJ-WNCDQNTKSA-N 0 0 341.367 3.143 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](Cc2nccs2)C1 ZINC000897279012 1310264720 /nfs/dbraw/zinc/26/47/20/1310264720.db2.gz DQFVVGVKPMITIE-LBPRGKRZSA-N 0 0 331.397 3.323 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000897543955 1310373605 /nfs/dbraw/zinc/37/36/05/1310373605.db2.gz BNBANKYLJBVYEB-ZJUUUORDSA-N 0 0 335.385 3.348 10 5 EGBERN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000898075346 1310580122 /nfs/dbraw/zinc/58/01/22/1310580122.db2.gz RBIWQNMXSVTTKB-LSDHHAIUSA-N 0 0 345.786 3.372 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000898394522 1310708761 /nfs/dbraw/zinc/70/87/61/1310708761.db2.gz HCPKBGIMZZWWON-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000898395960 1310711267 /nfs/dbraw/zinc/71/12/67/1310711267.db2.gz CPNHJABXCBQRIH-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2n(n1)CCCC2 ZINC000898400859 1310714225 /nfs/dbraw/zinc/71/42/25/1310714225.db2.gz HYXGNHQCHARWOQ-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)c1C ZINC000898723654 1310830555 /nfs/dbraw/zinc/83/05/55/1310830555.db2.gz JDHROONQAARUAF-GDBMZVCRSA-N 0 0 326.352 3.120 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)OC[C@@H]2C)cc1Cl ZINC000857642900 1328572996 /nfs/dbraw/zinc/57/29/96/1328572996.db2.gz LPDLNJXBALOLGT-NSHDSACASA-N 0 0 338.791 3.340 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(F)c1F ZINC000857697045 1328586580 /nfs/dbraw/zinc/58/65/80/1328586580.db2.gz LWYROMFKWZFUEE-LLVKDONJSA-N 0 0 335.310 3.475 10 5 EGBERN C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000929394496 1328587682 /nfs/dbraw/zinc/58/76/82/1328587682.db2.gz YRWBDZOHIMLGFN-LLVKDONJSA-N 0 0 333.775 3.453 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCc3cccnc32)c1F ZINC000857968093 1328643206 /nfs/dbraw/zinc/64/32/06/1328643206.db2.gz GMUUGXZDODLICP-LLVKDONJSA-N 0 0 347.321 3.036 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000899413339 1317025247 /nfs/dbraw/zinc/02/52/47/1317025247.db2.gz FVXUVRLXDNTGTF-VOAKCMCISA-N 0 0 348.399 3.024 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899537415 1317078433 /nfs/dbraw/zinc/07/84/33/1317078433.db2.gz QHKXTPLVUVFRLI-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000858420344 1328757551 /nfs/dbraw/zinc/75/75/51/1328757551.db2.gz MLHJOMZUARUYFH-GFCCVEGCSA-N 0 0 331.372 3.344 10 5 EGBERN CC1(C2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)OCCO1 ZINC000858441218 1328763350 /nfs/dbraw/zinc/76/33/50/1328763350.db2.gz NFYYJRMDBKSZNS-UHFFFAOYSA-N 0 0 343.383 3.122 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000913386117 1319020941 /nfs/dbraw/zinc/02/09/41/1319020941.db2.gz OGGWQGDRPKRQPQ-NWDGAFQWSA-N 0 0 349.749 3.202 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386415 1319021238 /nfs/dbraw/zinc/02/12/38/1319021238.db2.gz UHQHXJDWBPCYBH-MFKMUULPSA-N 0 0 344.770 3.209 10 5 EGBERN Cc1cc(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1O ZINC000913530927 1319056946 /nfs/dbraw/zinc/05/69/46/1319056946.db2.gz VAWPDCPCZBVKFJ-UHFFFAOYSA-N 0 0 341.367 3.460 10 5 EGBERN COc1ccc(C(=O)CNC(=O)[C@@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC000913531215 1319059013 /nfs/dbraw/zinc/05/90/13/1319059013.db2.gz GVZGRAMFPLBNLA-CYBMUJFWSA-N 0 0 346.383 3.039 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2c(C(F)(F)F)cnn2C)c1 ZINC000858656962 1328820070 /nfs/dbraw/zinc/82/00/70/1328820070.db2.gz GGZKEOWKAFORMB-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000858692448 1328832757 /nfs/dbraw/zinc/83/27/57/1328832757.db2.gz WKTHBFNNAPOFNO-VIFPVBQESA-N 0 0 330.262 3.287 10 5 EGBERN CSCCOC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000916617816 1319686669 /nfs/dbraw/zinc/68/66/69/1319686669.db2.gz JWEIKYGDYZLFSF-GFCCVEGCSA-N 0 0 338.429 3.351 10 5 EGBERN CCn1c(SC[C@H]2CC(C)=NO2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000917249685 1319775452 /nfs/dbraw/zinc/77/54/52/1319775452.db2.gz AHCLONCSWAKOGR-CYBMUJFWSA-N 0 0 347.400 3.130 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCSCc1ccccc1 ZINC000917387917 1319798042 /nfs/dbraw/zinc/79/80/42/1319798042.db2.gz QUZLVRGXCWAJKH-UHFFFAOYSA-N 0 0 345.424 3.300 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000858810004 1328866254 /nfs/dbraw/zinc/86/62/54/1328866254.db2.gz VUQOXGFROHLHFT-LKFCYVNXSA-N 0 0 340.763 3.014 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000858837026 1328871594 /nfs/dbraw/zinc/87/15/94/1328871594.db2.gz KKIKRNZEAQXHGX-GFCCVEGCSA-N 0 0 329.312 3.203 10 5 EGBERN NC(=O)CCSc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000858844519 1328874257 /nfs/dbraw/zinc/87/42/57/1328874257.db2.gz VSCGVCIDEAXORL-UHFFFAOYSA-N 0 0 328.699 3.235 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000858864015 1328879192 /nfs/dbraw/zinc/87/91/92/1328879192.db2.gz SBVRTDAUHNPNKZ-ITDFMYJTSA-N 0 0 349.387 3.486 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]1C(F)(F)F ZINC000930517658 1328884243 /nfs/dbraw/zinc/88/42/43/1328884243.db2.gz QATPXDKHAONBQU-JTQLQIEISA-N 0 0 339.111 3.494 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Cc2nccs2)C1 ZINC000930882578 1328995781 /nfs/dbraw/zinc/99/57/81/1328995781.db2.gz HXYRWPNQRCYMLG-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1coc(Br)c1 ZINC000919066786 1322024901 /nfs/dbraw/zinc/02/49/01/1322024901.db2.gz UDCAHWJYGNGLAW-UHFFFAOYSA-N 0 0 344.092 3.446 10 5 EGBERN CCO[C@@H](Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)C1CC1 ZINC000920417543 1322175347 /nfs/dbraw/zinc/17/53/47/1322175347.db2.gz QIPCCKPTUDZGRL-ZDUSSCGKSA-N 0 0 336.779 3.322 10 5 EGBERN CC[C@@H](NC(=O)NC[C@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000921334302 1322294455 /nfs/dbraw/zinc/29/44/55/1322294455.db2.gz JMQARJRAGKXPTQ-WBVHZDCISA-N 0 0 335.404 3.304 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000921420116 1322311137 /nfs/dbraw/zinc/31/11/37/1322311137.db2.gz UVJZLWPUTLSGQX-ONGXEEELSA-N 0 0 343.836 3.332 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000921807977 1322401220 /nfs/dbraw/zinc/40/12/20/1322401220.db2.gz WLCKHVKNLAORKT-SWLSCSKDSA-N 0 0 340.383 3.428 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@H]1F ZINC000922416308 1322524273 /nfs/dbraw/zinc/52/42/73/1322524273.db2.gz UERJTIZIDYJOIF-RHSMWYFYSA-N 0 0 346.333 3.418 10 5 EGBERN CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c1[N+](=O)[O-] ZINC000922536632 1322551860 /nfs/dbraw/zinc/55/18/60/1322551860.db2.gz HTPQLJNIVNEHTR-NHYWBVRUSA-N 0 0 340.383 3.345 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000922572313 1322560731 /nfs/dbraw/zinc/56/07/31/1322560731.db2.gz UTHZSZNHKPKEBQ-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(C2CCC2)n1 ZINC000859634569 1329041481 /nfs/dbraw/zinc/04/14/81/1329041481.db2.gz FMFPLQVVNOFTBA-PKNBQFBNSA-N 0 0 343.339 3.392 10 5 EGBERN CC(C)c1ccc(CNCc2noc3c2COCC3)cc1[N+](=O)[O-] ZINC000923016143 1322674353 /nfs/dbraw/zinc/67/43/53/1322674353.db2.gz UQZBBAGETSFNDA-UHFFFAOYSA-N 0 0 331.372 3.069 10 5 EGBERN CCc1[nH]nc(C(=O)N(CC2CC2)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000923679096 1322789741 /nfs/dbraw/zinc/78/97/41/1322789741.db2.gz FUHGMHIQTPLQGX-UHFFFAOYSA-N 0 0 328.372 3.246 10 5 EGBERN Cc1c(COC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000923721940 1322796842 /nfs/dbraw/zinc/79/68/42/1322796842.db2.gz MRKLZEIGBZFQQF-DGCLKSJQSA-N 0 0 347.289 3.446 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1CCC2(CCC2)O1 ZINC000924240642 1322949564 /nfs/dbraw/zinc/94/95/64/1322949564.db2.gz UAMNCEIPCAILMM-LBPRGKRZSA-N 0 0 339.775 3.436 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000924954874 1323227098 /nfs/dbraw/zinc/22/70/98/1323227098.db2.gz LMINLOLRHWCODH-GFCCVEGCSA-N 0 0 330.388 3.376 10 5 EGBERN C[C@@H](NC(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246668 1325095015 /nfs/dbraw/zinc/09/50/15/1325095015.db2.gz FGMRHMGUGCWYDL-GFCCVEGCSA-N 0 0 329.356 3.133 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000925252054 1325098929 /nfs/dbraw/zinc/09/89/29/1325098929.db2.gz WMLQLZGJXNKJHY-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000860406807 1329313934 /nfs/dbraw/zinc/31/39/34/1329313934.db2.gz TZWJXLMFPXNLIL-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860474110 1329321757 /nfs/dbraw/zinc/32/17/57/1329321757.db2.gz WLCJBCLQDRQEAY-GFCCVEGCSA-N 0 0 344.367 3.210 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1Cl ZINC000862146254 1329461996 /nfs/dbraw/zinc/46/19/96/1329461996.db2.gz DTFKXVLMZQFYCN-LLVKDONJSA-N 0 0 338.791 3.470 10 5 EGBERN CC(C)[C@H](O)C1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860608925 1329335510 /nfs/dbraw/zinc/33/55/10/1329335510.db2.gz IALXOCFKHHYHEQ-KRWDZBQOSA-N 0 0 342.395 3.275 10 5 EGBERN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860619107 1329336765 /nfs/dbraw/zinc/33/67/65/1329336765.db2.gz OUTZTVMZRLVODD-SJKOYZFVSA-N 0 0 328.368 3.124 10 5 EGBERN CCn1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000860648196 1329339909 /nfs/dbraw/zinc/33/99/09/1329339909.db2.gz MYJPTFHBKPYHBB-UHFFFAOYSA-N 0 0 335.385 3.069 10 5 EGBERN C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000927236913 1327925390 /nfs/dbraw/zinc/92/53/90/1327925390.db2.gz QNDLUGDTNFQRFL-NWDGAFQWSA-N 0 0 337.445 3.413 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927301704 1327963668 /nfs/dbraw/zinc/96/36/68/1327963668.db2.gz ZFCNTOIPKLBEDA-ACJLOTCBSA-N 0 0 326.327 3.148 10 5 EGBERN CSC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000927387297 1327998692 /nfs/dbraw/zinc/99/86/92/1327998692.db2.gz BKFBPFMJKRRCON-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN CSC1CCC(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000927392142 1328001600 /nfs/dbraw/zinc/00/16/00/1328001600.db2.gz NRSMDKNADCWLEW-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)[C@H](C)O1 ZINC000861188617 1329395500 /nfs/dbraw/zinc/39/55/00/1329395500.db2.gz CZFNVOFUSKGMLS-AGIUHOORSA-N 0 0 328.368 3.386 10 5 EGBERN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000928039460 1328178507 /nfs/dbraw/zinc/17/85/07/1328178507.db2.gz RFXLWXZKHNSCTG-AONVYAMJSA-N 0 0 332.403 3.456 10 5 EGBERN C[C@@H](NC(=O)c1cnc(CC2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000928248912 1328255520 /nfs/dbraw/zinc/25/55/20/1328255520.db2.gz MBSDWVJMWNGXPE-SNVBAGLBSA-N 0 0 331.397 3.495 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CCCCO1 ZINC000861445044 1329418839 /nfs/dbraw/zinc/41/88/39/1329418839.db2.gz WDSDRUXBYKUENN-NEPJUHHUSA-N 0 0 333.262 3.311 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CCCCO1 ZINC000861445046 1329418933 /nfs/dbraw/zinc/41/89/33/1329418933.db2.gz WDSDRUXBYKUENN-RYUDHWBXSA-N 0 0 333.262 3.311 10 5 EGBERN C[C@@H](CN1C(=O)N[C@@H](c2cccs2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929001187 1328486787 /nfs/dbraw/zinc/48/67/87/1328486787.db2.gz GTULRUFRDVBINO-HZMBPMFUSA-N 0 0 345.380 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C ZINC000929134467 1328515993 /nfs/dbraw/zinc/51/59/93/1328515993.db2.gz XFBQJWALMXDACB-OLZOCXBDSA-N 0 0 334.372 3.210 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC(C2CCOCC2)C1 ZINC000861543296 1329425276 /nfs/dbraw/zinc/42/52/76/1329425276.db2.gz ACBSDVRJVUUSJJ-UHFFFAOYSA-N 0 0 340.379 3.247 10 5 EGBERN CC(=O)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862012152 1329454971 /nfs/dbraw/zinc/45/49/71/1329454971.db2.gz CFZBOXQERGNJRX-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(NCCCC1(O)CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862017198 1329455554 /nfs/dbraw/zinc/45/55/54/1329455554.db2.gz RNLDHQXHOWRGSJ-UHFFFAOYSA-N 0 0 328.368 3.173 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863242359 1329538392 /nfs/dbraw/zinc/53/83/92/1329538392.db2.gz ZVJABTHYWNANPC-SOUVJXGZSA-N 0 0 337.379 3.053 10 5 EGBERN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863283846 1329544090 /nfs/dbraw/zinc/54/40/90/1329544090.db2.gz VZRLDHUWZKDSTH-CABZTGNLSA-N 0 0 345.182 3.199 10 5 EGBERN O=[N+]([O-])c1cnn(CCCCOc2cccc(C(F)(F)F)c2)n1 ZINC000863374051 1329550322 /nfs/dbraw/zinc/55/03/22/1329550322.db2.gz JALIAKKYRXJSRS-UHFFFAOYSA-N 0 0 330.266 3.064 10 5 EGBERN CCCN1C(=O)N(c2ccc([N+](=O)[O-])c3ccncc32)C(=O)[C@@H]1CC ZINC000864565780 1329626525 /nfs/dbraw/zinc/62/65/25/1329626525.db2.gz LROSVBWPDKKFMW-ZDUSSCGKSA-N 0 0 342.355 3.100 10 5 EGBERN Cc1cnc(F)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000864991574 1329659571 /nfs/dbraw/zinc/65/95/71/1329659571.db2.gz CYMISNSZVDRDLG-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCSC(C)(C)C ZINC000865501509 1329706181 /nfs/dbraw/zinc/70/61/81/1329706181.db2.gz DVNIPIURYKVLAZ-UHFFFAOYSA-N 0 0 326.344 3.291 10 5 EGBERN CC(C)c1ncc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865704858 1329730986 /nfs/dbraw/zinc/73/09/86/1329730986.db2.gz AYDOBNJBYUFTHE-MRXNPFEDSA-N 0 0 335.429 3.172 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000865904221 1329750615 /nfs/dbraw/zinc/75/06/15/1329750615.db2.gz OZJUJBFGDPOFAB-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@H](c3ccccn3)C2)cc1F ZINC000865923275 1329752180 /nfs/dbraw/zinc/75/21/80/1329752180.db2.gz LLXYWLDRPIEYOY-LBPRGKRZSA-N 0 0 331.347 3.005 10 5 EGBERN CO[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000865930046 1329752414 /nfs/dbraw/zinc/75/24/14/1329752414.db2.gz HGTWFHVXDDLXOQ-GZMMTYOYSA-N 0 0 335.187 3.365 10 5 EGBERN Cc1cnc(F)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000866004994 1329758309 /nfs/dbraw/zinc/75/83/09/1329758309.db2.gz PBSXGPGZSWFRMA-UHFFFAOYSA-N 0 0 331.347 3.190 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CC2(CSC2)C1 ZINC000866005418 1329758341 /nfs/dbraw/zinc/75/83/41/1329758341.db2.gz UFBWPNLVMHXZNB-UHFFFAOYSA-N 0 0 334.441 3.177 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000866075749 1330062450 /nfs/dbraw/zinc/06/24/50/1330062450.db2.gz CBOAGTRHRWSMLD-SJORKVTESA-N 0 0 341.367 3.325 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000866175866 1330073934 /nfs/dbraw/zinc/07/39/34/1330073934.db2.gz OXHOEMOQVJMLPI-HNNXBMFYSA-N 0 0 343.383 3.141 10 5 EGBERN CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(F)F ZINC000866185702 1330075087 /nfs/dbraw/zinc/07/50/87/1330075087.db2.gz FPNBJZZEFBGGKP-UHFFFAOYSA-N 0 0 342.389 3.153 10 5 EGBERN COc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000866233042 1330081586 /nfs/dbraw/zinc/08/15/86/1330081586.db2.gz QQMDNNPZQCRFLG-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN CCC(C)(C)CCS(=O)(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000866474255 1330116852 /nfs/dbraw/zinc/11/68/52/1330116852.db2.gz VDSIVZPZAJVEHE-UHFFFAOYSA-N 0 0 328.434 3.183 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867646560 1330212463 /nfs/dbraw/zinc/21/24/63/1330212463.db2.gz HNUKLRGMXJLVFE-KOLCDFICSA-N 0 0 341.205 3.205 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868479876 1330284500 /nfs/dbraw/zinc/28/45/00/1330284500.db2.gz LYKGEHWIHOSDIZ-JKSUJKDBSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc(CNC(=O)NCC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000868712101 1330322160 /nfs/dbraw/zinc/32/21/60/1330322160.db2.gz XBQOWJRLGYBFGL-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN O=C(Nc1nccn1C1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868895366 1330368674 /nfs/dbraw/zinc/36/86/74/1330368674.db2.gz XNZILYWNQAYHBP-UHFFFAOYSA-N 0 0 326.356 3.187 10 5 EGBERN CCOP(=O)(CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000869022367 1330396219 /nfs/dbraw/zinc/39/62/19/1330396219.db2.gz ZNNWDVUTECOTOC-UHFFFAOYSA-N 0 0 348.267 3.030 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000869053007 1330403059 /nfs/dbraw/zinc/40/30/59/1330403059.db2.gz HFLHVOZTGHKELF-ZDUSSCGKSA-N 0 0 328.372 3.201 10 5 EGBERN CC(C)(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])CC(F)(F)F ZINC000869330364 1330464281 /nfs/dbraw/zinc/46/42/81/1330464281.db2.gz CQPUWCUQBTXJQU-UHFFFAOYSA-N 0 0 336.285 3.371 10 5 EGBERN O=C(Cc1cnn2c1CCCC2)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000869590358 1330529050 /nfs/dbraw/zinc/52/90/50/1330529050.db2.gz JABYPDMHLITIGM-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN COc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)c([N+](=O)[O-])cc1F ZINC001323803761 1387460285 /nfs/dbraw/zinc/46/02/85/1387460285.db2.gz YJJGIANFZYZCFH-UHFFFAOYSA-N 0 0 333.275 3.171 10 5 EGBERN COC(=O)Nc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001184856459 1387549792 /nfs/dbraw/zinc/54/97/92/1387549792.db2.gz JYLMHBHAQZEQEX-UHFFFAOYSA-N 0 0 341.327 3.262 10 5 EGBERN O=C(/C=C/c1ccnc(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324465446 1387631796 /nfs/dbraw/zinc/63/17/96/1387631796.db2.gz HWIXXJZCCMXSLS-DAFODLJHSA-N 0 0 329.743 3.199 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)C2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC001185702282 1387782814 /nfs/dbraw/zinc/78/28/14/1387782814.db2.gz UNKRPIUTTBQLJU-UHFFFAOYSA-N 0 0 335.404 3.490 10 5 EGBERN COc1cc(F)cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC001185766553 1387793069 /nfs/dbraw/zinc/79/30/69/1387793069.db2.gz KAKKKLGIXAETMU-UHFFFAOYSA-N 0 0 334.229 3.238 10 5 EGBERN CO[C@H](Cc1ccccc1)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC001189423319 1367017775 /nfs/dbraw/zinc/01/77/75/1367017775.db2.gz FNECOARPMUTNTF-OAHLLOKOSA-N 0 0 338.363 3.167 10 5 EGBERN CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)C(=O)OCC ZINC001194031932 1368170632 /nfs/dbraw/zinc/17/06/32/1368170632.db2.gz YELXXBXGTPATPI-NSHDSACASA-N 0 0 328.796 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCOc1ccccc1 ZINC001325338355 1387940018 /nfs/dbraw/zinc/94/00/18/1387940018.db2.gz VVIIICPHIIQZEW-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN C[C@H](C1CC1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC001196937361 1368717158 /nfs/dbraw/zinc/71/71/58/1368717158.db2.gz YGVAEGDOOPHRTI-CYBMUJFWSA-N 0 0 339.395 3.499 10 5 EGBERN CN(CC(=O)NCCC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC001198072077 1368954475 /nfs/dbraw/zinc/95/44/75/1368954475.db2.gz OWZLFQUHCZBJNM-UHFFFAOYSA-N 0 0 349.406 3.172 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@]34CCOC4)co2)cc1 ZINC001198767834 1369109070 /nfs/dbraw/zinc/10/90/70/1369109070.db2.gz DOGXMLVABJVFOB-GOSISDBHSA-N 0 0 343.383 3.395 10 5 EGBERN O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001198828265 1369123693 /nfs/dbraw/zinc/12/36/93/1369123693.db2.gz LAMGGNTWDGTWII-SFHVURJKSA-N 0 0 334.416 3.399 10 5 EGBERN CN(CCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001186654892 1387994291 /nfs/dbraw/zinc/99/42/91/1387994291.db2.gz QSXRUPVHYFSWSC-UHFFFAOYSA-N 0 0 329.784 3.209 10 5 EGBERN Cc1csc(NCCNc2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC001186661646 1387995907 /nfs/dbraw/zinc/99/59/07/1387995907.db2.gz GNVCADOYUHAQPJ-UHFFFAOYSA-N 0 0 329.385 3.432 10 5 EGBERN Cc1cccc2c1C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CO2 ZINC001187117091 1388056100 /nfs/dbraw/zinc/05/61/00/1388056100.db2.gz UWHQDDNMVUTGOL-LLVKDONJSA-N 0 0 329.312 3.227 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cnc3c(F)cccc3c2)n1 ZINC001187129692 1388056816 /nfs/dbraw/zinc/05/68/16/1388056816.db2.gz BYPUSADHUCOUGH-UHFFFAOYSA-N 0 0 343.270 3.256 10 5 EGBERN CC(C)[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC001187362084 1388099300 /nfs/dbraw/zinc/09/93/00/1388099300.db2.gz TYKMGYPPXBGIDZ-CYBMUJFWSA-N 0 0 342.237 3.134 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1noc2ccc(F)cc21 ZINC001187370967 1388100457 /nfs/dbraw/zinc/10/04/57/1388100457.db2.gz FQRHKLILTDUXQX-UHFFFAOYSA-N 0 0 332.247 3.395 10 5 EGBERN CC(C)Nc1nnc(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001117794128 1371086594 /nfs/dbraw/zinc/08/65/94/1371086594.db2.gz CYKWVADDCGOILL-UHFFFAOYSA-N 0 0 336.402 3.294 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C2CC2)nn1C ZINC001117811976 1371093549 /nfs/dbraw/zinc/09/35/49/1371093549.db2.gz UWMORZZVSKDJOE-SNVBAGLBSA-N 0 0 346.412 3.325 10 5 EGBERN CCOC(=O)c1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001118597155 1371204563 /nfs/dbraw/zinc/20/45/63/1371204563.db2.gz JTKBGDAJPRZMMQ-YHPBZONMSA-N 0 0 326.299 3.227 10 5 EGBERN O=[N+]([O-])c1cccc2c(NC[C@H]3CC4(CO3)CCOCC4)ccnc21 ZINC001118991908 1371262829 /nfs/dbraw/zinc/26/28/29/1371262829.db2.gz SFZISXKPNJJVGO-CYBMUJFWSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCSC[C@H]23)c(Cl)c1 ZINC001187593984 1388128967 /nfs/dbraw/zinc/12/89/67/1388128967.db2.gz RYWVMSSREKXJIX-UONOGXRCSA-N 0 0 327.837 3.240 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC3(CCC3)CO2)c1 ZINC001187606922 1388129498 /nfs/dbraw/zinc/12/94/98/1388129498.db2.gz KHFDXTJVQYKMFP-ZDUSSCGKSA-N 0 0 334.372 3.143 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Sc1cccc(CO)c1 ZINC001187607601 1388129505 /nfs/dbraw/zinc/12/95/05/1388129505.db2.gz ZJGIRQWIMDCYMJ-UHFFFAOYSA-N 0 0 344.392 3.131 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001119669656 1371385039 /nfs/dbraw/zinc/38/50/39/1371385039.db2.gz SWVKBYIBSDNAJV-AWEZNQCLSA-N 0 0 348.399 3.073 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CC[C@H]4C[C@H]43)c2c1 ZINC001187632878 1388133767 /nfs/dbraw/zinc/13/37/67/1388133767.db2.gz FHKRBXPDPFDWST-OBJOEFQTSA-N 0 0 327.384 3.422 10 5 EGBERN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001187841188 1388174768 /nfs/dbraw/zinc/17/47/68/1388174768.db2.gz IQNLUMUGSMIKDY-OAHLLOKOSA-N 0 0 345.309 3.203 10 5 EGBERN CCC(C)(C)CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC001187955180 1388197618 /nfs/dbraw/zinc/19/76/18/1388197618.db2.gz DFBZPKHILWNEQT-KRWDZBQOSA-N 0 0 333.388 3.188 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001123318727 1372423654 /nfs/dbraw/zinc/42/36/54/1372423654.db2.gz SEDCWTOTUOXLLZ-JKSUJKDBSA-N 0 0 333.388 3.469 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001123416178 1372460882 /nfs/dbraw/zinc/46/08/82/1372460882.db2.gz CUCPDTMIAYIVIT-CQSZACIVSA-N 0 0 332.404 3.154 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCC(F)(F)C1 ZINC001123461661 1372477986 /nfs/dbraw/zinc/47/79/86/1372477986.db2.gz DFCYXABMJIPBNH-SECBINFHSA-N 0 0 343.282 3.097 10 5 EGBERN Cc1ncsc1CCCOC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001123482818 1372485195 /nfs/dbraw/zinc/48/51/95/1372485195.db2.gz NXUGFCDZNXFNIR-UHFFFAOYSA-N 0 0 334.397 3.387 10 5 EGBERN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001124306007 1372689665 /nfs/dbraw/zinc/68/96/65/1372689665.db2.gz PPALSPHLZGAJHZ-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN C[C@H](OCc1ccc(F)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001124352873 1372693815 /nfs/dbraw/zinc/69/38/15/1372693815.db2.gz OUAKPNIZCGXJTL-LBPRGKRZSA-N 0 0 333.315 3.382 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124547880 1372710542 /nfs/dbraw/zinc/71/05/42/1372710542.db2.gz VBCUWNUWNXSWOU-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN O=C(c1cc2ccncc2s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124715849 1372724106 /nfs/dbraw/zinc/72/41/06/1372724106.db2.gz UKUHOFVYZYEGKX-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN COC(=O)c1coc(/C=C/C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001124927868 1372740201 /nfs/dbraw/zinc/74/02/01/1372740201.db2.gz AGXFUBZDXMEZFH-XUIVZRPNSA-N 0 0 345.307 3.292 10 5 EGBERN CCC(CC)CN(CC)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001125080527 1372751919 /nfs/dbraw/zinc/75/19/19/1372751919.db2.gz MACIVCFMTFLDQW-KRWDZBQOSA-N 0 0 347.415 3.373 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC001125169301 1372757526 /nfs/dbraw/zinc/75/75/26/1372757526.db2.gz YBMMDBCYZGDDKW-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN CCCc1ccccc1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001125319512 1372769922 /nfs/dbraw/zinc/76/99/22/1372769922.db2.gz IXTNIWWDUOTUHP-UHFFFAOYSA-N 0 0 328.368 3.486 10 5 EGBERN COc1cc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1C ZINC001125367372 1372776058 /nfs/dbraw/zinc/77/60/58/1372776058.db2.gz VIMAMMROEQAOOP-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC001125595048 1372816225 /nfs/dbraw/zinc/81/62/25/1372816225.db2.gz ADSUAMOPUKAGEX-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COc1cc(C(=O)NCCc2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC001125644487 1372826922 /nfs/dbraw/zinc/82/69/22/1372826922.db2.gz PEJGVBOLSWDBME-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN CSCCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001125802275 1372859951 /nfs/dbraw/zinc/85/99/51/1372859951.db2.gz CBHXQFUPBFZQBG-UHFFFAOYSA-N 0 0 331.397 3.456 10 5 EGBERN Cc1ccc2nc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cn2c1 ZINC001125848015 1372872336 /nfs/dbraw/zinc/87/23/36/1372872336.db2.gz FYPGLAQGFZOEAV-UHFFFAOYSA-N 0 0 336.351 3.144 10 5 EGBERN O=C(NCc1cc(F)ccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001126041179 1372917424 /nfs/dbraw/zinc/91/74/24/1372917424.db2.gz VAZONTPMCIUCGU-LSDHHAIUSA-N 0 0 332.306 3.293 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc([N+](=O)[O-])c1 ZINC001126372973 1372961293 /nfs/dbraw/zinc/96/12/93/1372961293.db2.gz NPYBSRVAJQACAH-CNDDSTCGSA-N 0 0 332.356 3.146 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc2c1CCOC2 ZINC001126952679 1373056997 /nfs/dbraw/zinc/05/69/97/1373056997.db2.gz IWPREZZCZVMBNK-UHFFFAOYSA-N 0 0 349.346 3.468 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC001127224658 1373105384 /nfs/dbraw/zinc/10/53/84/1373105384.db2.gz LPBRJFLQDXTOMT-GFCCVEGCSA-N 0 0 336.363 3.264 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)cn1 ZINC001127392195 1373122847 /nfs/dbraw/zinc/12/28/47/1373122847.db2.gz LXVKRCJHBSKENJ-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN CC[C@H](OC(=O)Cc1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001127623859 1373149672 /nfs/dbraw/zinc/14/96/72/1373149672.db2.gz GWPCOKSQGAEYLF-KRWDZBQOSA-N 0 0 343.383 3.365 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C)c1C ZINC001127673875 1373157762 /nfs/dbraw/zinc/15/77/62/1373157762.db2.gz CHXUCQZWDDVGEY-UHFFFAOYSA-N 0 0 342.351 3.316 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC001128305626 1373249834 /nfs/dbraw/zinc/24/98/34/1373249834.db2.gz WMACSQMOSUBYSW-XBXARRHUSA-N 0 0 348.286 3.074 10 5 EGBERN CSC1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1 ZINC001128401824 1373263060 /nfs/dbraw/zinc/26/30/60/1373263060.db2.gz OYQBWLDLINFTOT-UHFFFAOYSA-N 0 0 345.424 3.346 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cnn(-c2ccncc2)c1 ZINC001128947558 1373327610 /nfs/dbraw/zinc/32/76/10/1373327610.db2.gz XDFUVEOBDAFRJU-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(Cl)cc(Cl)c1F ZINC001128985063 1373330776 /nfs/dbraw/zinc/33/07/76/1373330776.db2.gz MRGSDTAKOXCIKB-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C)Cc1ccccc1 ZINC001129162750 1373355386 /nfs/dbraw/zinc/35/53/86/1373355386.db2.gz FUUMORKOKPWTPB-AWEZNQCLSA-N 0 0 346.358 3.030 10 5 EGBERN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129192844 1373359173 /nfs/dbraw/zinc/35/91/73/1373359173.db2.gz FZHLGKNKGSVHPV-XNJGSVPQSA-N 0 0 345.399 3.030 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c(F)c1 ZINC001129849053 1373429539 /nfs/dbraw/zinc/42/95/39/1373429539.db2.gz OKLZIFRDBZEAGB-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@@H]1C1CC1 ZINC001129848679 1373429647 /nfs/dbraw/zinc/42/96/47/1373429647.db2.gz WECBXMRWTWDPAS-HUUCEWRRSA-N 0 0 331.416 3.339 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1c[nH]c(Br)c1 ZINC001326626924 1388262211 /nfs/dbraw/zinc/26/22/11/1388262211.db2.gz BUHDTTHRDZQEFG-UHFFFAOYSA-N 0 0 331.147 3.104 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC1(C)C ZINC001130045077 1373448526 /nfs/dbraw/zinc/44/85/26/1373448526.db2.gz JAWZFQVKOVOFMV-JKSUJKDBSA-N 0 0 342.399 3.335 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC001130212186 1373474812 /nfs/dbraw/zinc/47/48/12/1373474812.db2.gz ATMQUJRIYSMWRN-UHFFFAOYSA-N 0 0 334.278 3.038 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc2c1OCCC2 ZINC001130346883 1373499032 /nfs/dbraw/zinc/49/90/32/1373499032.db2.gz VJYCZAUTDXYFKR-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN O=C(Nc1ccccc1COC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC001130356772 1373502262 /nfs/dbraw/zinc/50/22/62/1373502262.db2.gz BWKBDHMMMDHEDB-UHFFFAOYSA-N 0 0 340.335 3.300 10 5 EGBERN CCOc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001130796840 1373592013 /nfs/dbraw/zinc/59/20/13/1373592013.db2.gz JWEQBIKDUPUUOJ-UHFFFAOYSA-N 0 0 345.311 3.462 10 5 EGBERN O=C(Nc1cc(F)ccn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001130872838 1373600643 /nfs/dbraw/zinc/60/06/43/1373600643.db2.gz MKYOBVHZBBZZBO-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001131044776 1373631861 /nfs/dbraw/zinc/63/18/61/1373631861.db2.gz SPOZURUECLBWTB-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN Cc1nc(Cl)ccc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131051911 1373633266 /nfs/dbraw/zinc/63/32/66/1373633266.db2.gz QCSFMYOAOZQYPI-UHFFFAOYSA-N 0 0 337.675 3.079 10 5 EGBERN CSc1c(F)cccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001131059552 1373634734 /nfs/dbraw/zinc/63/47/34/1373634734.db2.gz XBNDXSLKNVTANJ-UHFFFAOYSA-N 0 0 336.344 3.473 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Oc1cnn(-c2ccccc2)c1 ZINC001131222238 1373664814 /nfs/dbraw/zinc/66/48/14/1373664814.db2.gz NGRARSFCLYTATB-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN COCc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC ZINC001131740214 1373779531 /nfs/dbraw/zinc/77/95/31/1373779531.db2.gz PLPBGFOVPHAHIU-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001131770056 1373793843 /nfs/dbraw/zinc/79/38/43/1373793843.db2.gz VHTQDBCGMVNJPT-DZGCQCFKSA-N 0 0 336.269 3.298 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001131841728 1373832927 /nfs/dbraw/zinc/83/29/27/1373832927.db2.gz XLLWFSHTLWBBTI-IAGOWNOFSA-N 0 0 347.415 3.104 10 5 EGBERN COc1cncc(/C=C/CCN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001326783860 1388308492 /nfs/dbraw/zinc/30/84/92/1388308492.db2.gz NNSZSSALZAUQTI-DUXPYHPUSA-N 0 0 325.368 3.418 10 5 EGBERN COc1ccc([C@H](C)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 ZINC001188538840 1388326940 /nfs/dbraw/zinc/32/69/40/1388326940.db2.gz INWBVFATVAVNKP-GFCCVEGCSA-N 0 0 339.351 3.117 10 5 EGBERN O=[N+]([O-])c1nn(Cc2cc(C(F)(F)F)co2)cc1Br ZINC001188659328 1388356046 /nfs/dbraw/zinc/35/60/46/1388356046.db2.gz AWASMICCSNQFQT-UHFFFAOYSA-N 0 0 340.055 3.214 10 5 EGBERN CCCSc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC001132216544 1375214357 /nfs/dbraw/zinc/21/43/57/1375214357.db2.gz CTLVIGVZWUIKRN-UHFFFAOYSA-N 0 0 349.416 3.026 10 5 EGBERN CC(C)(c1csc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1)c1ccccc1 ZINC001132412304 1375359940 /nfs/dbraw/zinc/35/99/40/1375359940.db2.gz ZWPQKOPIWGDUOK-VXGBXAGGSA-N 0 0 331.397 3.073 10 5 EGBERN Cc1ccc(CNC(=O)c2scnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001132418954 1375365711 /nfs/dbraw/zinc/36/57/11/1375365711.db2.gz PYUFHICSZSXJJI-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN COC(=O)c1cc(C(=O)OCc2csc(C)c2C)cc([N+](=O)[O-])c1 ZINC001132502678 1375428167 /nfs/dbraw/zinc/42/81/67/1375428167.db2.gz AWQDTOSCYKDVOP-UHFFFAOYSA-N 0 0 349.364 3.417 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC001132750459 1375545983 /nfs/dbraw/zinc/54/59/83/1375545983.db2.gz MPCOLWYVEQPPFP-NSHDSACASA-N 0 0 337.376 3.065 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC001133484112 1376034228 /nfs/dbraw/zinc/03/42/28/1376034228.db2.gz LACYCFHRFJPIRK-LBPRGKRZSA-N 0 0 342.351 3.181 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001133706876 1376167691 /nfs/dbraw/zinc/16/76/91/1376167691.db2.gz WCRGQIWQFXXSDI-HIFRSBDPSA-N 0 0 348.305 3.244 10 5 EGBERN CCCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)sc1C ZINC001134133298 1376384393 /nfs/dbraw/zinc/38/43/93/1376384393.db2.gz LMFGUCDXXHCQGW-UHFFFAOYSA-N 0 0 347.396 3.268 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC001134141629 1376385621 /nfs/dbraw/zinc/38/56/21/1376385621.db2.gz VFLAUKCGLNAGEH-LLVKDONJSA-N 0 0 335.379 3.253 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CCC[C@@]4(CCOC4)O3)c2)c1 ZINC001189060555 1388449974 /nfs/dbraw/zinc/44/99/74/1388449974.db2.gz ARAJKADEYGXMIW-MSOLQXFVSA-N 0 0 343.383 3.187 10 5 EGBERN Cc1cc(NC(=O)CCc2cccc3c2OCO3)cc([N+](=O)[O-])c1 ZINC001135146105 1376933400 /nfs/dbraw/zinc/93/34/00/1376933400.db2.gz BRADQOSELPCJPF-UHFFFAOYSA-N 0 0 328.324 3.203 10 5 EGBERN CC(C)(F)c1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)no1 ZINC001135195243 1376966753 /nfs/dbraw/zinc/96/67/53/1376966753.db2.gz LFGDMDOCSYTCAJ-UHFFFAOYSA-N 0 0 346.318 3.381 10 5 EGBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001135216039 1376980650 /nfs/dbraw/zinc/98/06/50/1376980650.db2.gz MNWDYSXAELKAJY-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc2cccnc21 ZINC001135299613 1377027284 /nfs/dbraw/zinc/02/72/84/1377027284.db2.gz LOVFOJHRXUNBTP-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CSC(c3ccccc3)=N2)cccc1[N+](=O)[O-] ZINC001135304868 1377028121 /nfs/dbraw/zinc/02/81/21/1377028121.db2.gz VIEQGWBTTWIKAC-AWEZNQCLSA-N 0 0 341.392 3.404 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC001135505139 1377122087 /nfs/dbraw/zinc/12/20/87/1377122087.db2.gz XYZBCHYYJJLVHP-UHFFFAOYSA-N 0 0 335.703 3.338 10 5 EGBERN Cc1cn2cc(CC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)nc2s1 ZINC001266631289 1377352679 /nfs/dbraw/zinc/35/26/79/1377352679.db2.gz QUXLIGSPYRYBJE-UHFFFAOYSA-N 0 0 330.369 3.102 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccccc2C1 ZINC001136241070 1377367943 /nfs/dbraw/zinc/36/79/43/1377367943.db2.gz CQQILEXBWQFWJZ-GFCCVEGCSA-N 0 0 344.392 3.050 10 5 EGBERN COc1ccc(CNC(=O)/C=C/CCc2ccccc2)cc1[N+](=O)[O-] ZINC001136337436 1377378609 /nfs/dbraw/zinc/37/86/09/1377378609.db2.gz HZOMTQAKJCPIQI-UXBLZVDNSA-N 0 0 340.379 3.409 10 5 EGBERN Cc1ccsc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136442622 1377393614 /nfs/dbraw/zinc/39/36/14/1377393614.db2.gz XXIANIIORDVSDD-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN CCC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC001136680828 1377414897 /nfs/dbraw/zinc/41/48/97/1377414897.db2.gz VJKAGLMNWIQMOZ-CYBMUJFWSA-N 0 0 348.790 3.497 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1CCSCC1 ZINC001136732548 1377418859 /nfs/dbraw/zinc/41/88/59/1377418859.db2.gz ZVFJBJYEXGFUTP-UHFFFAOYSA-N 0 0 328.821 3.050 10 5 EGBERN CCSc1cccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC001136820980 1377426989 /nfs/dbraw/zinc/42/69/89/1377426989.db2.gz MTHHDAQPOFFYCK-UHFFFAOYSA-N 0 0 332.385 3.396 10 5 EGBERN CSCC[C@H](C)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001136866160 1377432422 /nfs/dbraw/zinc/43/24/22/1377432422.db2.gz GDTIAVCDQFGJGM-JTQLQIEISA-N 0 0 330.837 3.391 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](O)c1ccccc1 ZINC001137387979 1377537626 /nfs/dbraw/zinc/53/76/26/1377537626.db2.gz LBBBLURDRKTISJ-INIZCTEOSA-N 0 0 348.786 3.031 10 5 EGBERN C[C@@H]1CCc2[nH]nc(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c2C1 ZINC001137530414 1377561968 /nfs/dbraw/zinc/56/19/68/1377561968.db2.gz DSLCBMCSQRMCFY-SECBINFHSA-N 0 0 348.790 3.026 10 5 EGBERN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001269819723 1377577506 /nfs/dbraw/zinc/57/75/06/1377577506.db2.gz KQNFPSPICSWKJI-MRVPVSSYSA-N 0 0 340.792 3.101 10 5 EGBERN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001139346237 1377871438 /nfs/dbraw/zinc/87/14/38/1377871438.db2.gz URHHUTHRUQWBIA-APPDUMDISA-N 0 0 330.388 3.304 10 5 EGBERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001140445749 1378064702 /nfs/dbraw/zinc/06/47/02/1378064702.db2.gz NIMAUDRXKWNCNJ-DTORHVGOSA-N 0 0 329.759 3.295 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CC(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001141368322 1378311398 /nfs/dbraw/zinc/31/13/98/1378311398.db2.gz KSKLIJOAPFDQBK-UHFFFAOYSA-N 0 0 349.749 3.209 10 5 EGBERN CC[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001141515105 1378337378 /nfs/dbraw/zinc/33/73/78/1378337378.db2.gz PEVGVJTYRPNFEL-GFCCVEGCSA-N 0 0 334.763 3.107 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC/C=C/c1cccnc1 ZINC001141578768 1378345856 /nfs/dbraw/zinc/34/58/56/1378345856.db2.gz ZYQBUSGEQVHNDO-HWKANZROSA-N 0 0 329.381 3.155 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c(F)c1 ZINC001142492953 1378448439 /nfs/dbraw/zinc/44/84/39/1378448439.db2.gz FWPWHOWFWPXXHD-UHFFFAOYSA-N 0 0 333.319 3.276 10 5 EGBERN O=C(N[C@H](Cc1ccccc1)c1ncco1)c1ccc([N+](=O)[O-])cc1 ZINC001143410136 1378594829 /nfs/dbraw/zinc/59/48/29/1378594829.db2.gz RTHCPEPPOAANIB-MRXNPFEDSA-N 0 0 337.335 3.297 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC001143912510 1378659441 /nfs/dbraw/zinc/65/94/41/1378659441.db2.gz YDKSTIGNFPIVSE-KRWDZBQOSA-N 0 0 348.443 3.464 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327578219 1388562357 /nfs/dbraw/zinc/56/23/57/1388562357.db2.gz SVBZZISIFPNGOP-HONMWMINSA-N 0 0 341.310 3.198 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001145065554 1378790324 /nfs/dbraw/zinc/79/03/24/1378790324.db2.gz GWXPLHQPBFKDOT-VHSXEESVSA-N 0 0 334.401 3.154 10 5 EGBERN CNc1cc(Cl)ccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148566582 1379213228 /nfs/dbraw/zinc/21/32/28/1379213228.db2.gz JXHGWXSCXFVCIY-UHFFFAOYSA-N 0 0 331.759 3.446 10 5 EGBERN CCOc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nc1C ZINC001148705502 1379247541 /nfs/dbraw/zinc/24/75/41/1379247541.db2.gz JZWSBYNSNUKGTO-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN CC(C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001148913502 1379297934 /nfs/dbraw/zinc/29/79/34/1379297934.db2.gz WRQHHNYAPIOQQP-UHFFFAOYSA-N 0 0 343.383 3.074 10 5 EGBERN COc1ccc(NC(=O)c2cc3c(cc2O)CCCC3)cc1[N+](=O)[O-] ZINC001152078412 1379859402 /nfs/dbraw/zinc/85/94/02/1379859402.db2.gz BYKRDQUYRZMOIO-UHFFFAOYSA-N 0 0 342.351 3.440 10 5 EGBERN Cc1cccc(O)c1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001152167074 1379876905 /nfs/dbraw/zinc/87/69/05/1379876905.db2.gz BWEGGHCLZCNXRX-UHFFFAOYSA-N 0 0 338.323 3.251 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001153184665 1380031738 /nfs/dbraw/zinc/03/17/38/1380031738.db2.gz FUFBDPZLXFRUDK-OCCSQVGLSA-N 0 0 346.362 3.026 10 5 EGBERN O=C(NOc1ccccc1F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001154219811 1380232032 /nfs/dbraw/zinc/23/20/32/1380232032.db2.gz CNMRGPLQFZDCBX-UHFFFAOYSA-N 0 0 344.220 3.477 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC001154339939 1380259288 /nfs/dbraw/zinc/25/92/88/1380259288.db2.gz BZVXCWUNOGDMBT-GDBMZVCRSA-N 0 0 348.786 3.490 10 5 EGBERN Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001154395941 1380269484 /nfs/dbraw/zinc/26/94/84/1380269484.db2.gz WNHILDGTRKHMLO-INIZCTEOSA-N 0 0 325.324 3.057 10 5 EGBERN CC(C)[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001154486295 1380287432 /nfs/dbraw/zinc/28/74/32/1380287432.db2.gz SKCTVRFYGONXPZ-JTQLQIEISA-N 0 0 325.796 3.339 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328063830 1388658027 /nfs/dbraw/zinc/65/80/27/1388658027.db2.gz DSHLPRRHKPERSX-JFUSQASVSA-N 0 0 329.274 3.459 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@](C)(CO)C1CCCCC1 ZINC001155033825 1380395573 /nfs/dbraw/zinc/39/55/73/1380395573.db2.gz CJMIJURDMUASRN-KRWDZBQOSA-N 0 0 338.379 3.103 10 5 EGBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001155528679 1380464758 /nfs/dbraw/zinc/46/47/58/1380464758.db2.gz ACUJNPYYAOEFCG-DMDPSCGWSA-N 0 0 341.367 3.015 10 5 EGBERN COC(=O)CCC1(NC(=O)c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC001156723147 1380617476 /nfs/dbraw/zinc/61/74/76/1380617476.db2.gz SPHJXSHCGPBTBS-UHFFFAOYSA-N 0 0 348.399 3.289 10 5 EGBERN COc1ccc(CC(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001157653727 1380990662 /nfs/dbraw/zinc/99/06/62/1380990662.db2.gz TVIGIRKTRVMZBX-HOTGVXAUSA-N 0 0 344.411 3.183 10 5 EGBERN O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc([N+](=O)[O-])ccc1F ZINC001157887935 1381061206 /nfs/dbraw/zinc/06/12/06/1381061206.db2.gz BOIJBKROROMWCI-UHFFFAOYSA-N 0 0 327.271 3.240 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cccc2ccccc21 ZINC001288212244 1381728575 /nfs/dbraw/zinc/72/85/75/1381728575.db2.gz JVWJNNAUBLHYPG-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC001288215668 1381730900 /nfs/dbraw/zinc/73/09/00/1381730900.db2.gz DGVHWDXUSQETSD-WDEREUQCSA-N 0 0 333.369 3.111 10 5 EGBERN COc1cccc2[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3C)nc21 ZINC001288435705 1381811816 /nfs/dbraw/zinc/81/18/16/1381811816.db2.gz OWKDQRJOROZPDW-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)cc(F)c2C1 ZINC001160024263 1381970901 /nfs/dbraw/zinc/97/09/01/1381970901.db2.gz TUBAUMWRXAUPKV-UHFFFAOYSA-N 0 0 347.321 3.113 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@@]2(=O)CCc3ccccc32)c1 ZINC001289028462 1381974447 /nfs/dbraw/zinc/97/44/47/1381974447.db2.gz GRWMBSXIJFJEAY-HSZRJFAPSA-N 0 0 330.365 3.127 10 5 EGBERN CC(C)c1cncnc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001289075911 1381975991 /nfs/dbraw/zinc/97/59/91/1381975991.db2.gz NDOGKDQYKMROCE-UONOGXRCSA-N 0 0 326.356 3.250 10 5 EGBERN CCc1ccc(C(=O)NCC[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001289356681 1381993700 /nfs/dbraw/zinc/99/37/00/1381993700.db2.gz LBQFHIKATGZKOG-OAHLLOKOSA-N 0 0 334.416 3.482 10 5 EGBERN COc1cc(C(=O)O[C@@H](C)c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC001289388401 1381997136 /nfs/dbraw/zinc/99/71/36/1381997136.db2.gz ALKKEQGIAXGQHO-NSHDSACASA-N 0 0 343.335 3.456 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1ccc(C)cc1 ZINC001160212136 1382035533 /nfs/dbraw/zinc/03/55/33/1382035533.db2.gz ZOBLLLAPXUEVRX-UHFFFAOYSA-N 0 0 339.355 3.193 10 5 EGBERN COC(=O)c1cc(F)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001290429777 1382090714 /nfs/dbraw/zinc/09/07/14/1382090714.db2.gz GAALENROHGPHQW-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccnc1)C1CC1 ZINC001290606867 1382101547 /nfs/dbraw/zinc/10/15/47/1382101547.db2.gz VOJJLKCHSJDLJZ-UHFFFAOYSA-N 0 0 345.786 3.377 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001160557312 1382141134 /nfs/dbraw/zinc/14/11/34/1382141134.db2.gz VACWHISTZIAXLL-JTQLQIEISA-N 0 0 346.387 3.466 10 5 EGBERN Nc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1[N+](=O)[O-] ZINC001160696086 1382173269 /nfs/dbraw/zinc/17/32/69/1382173269.db2.gz FCHNSBLLCZYLHP-UHFFFAOYSA-N 0 0 326.287 3.117 10 5 EGBERN O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc([N+](=O)[O-])ccc1F ZINC001292425636 1382196132 /nfs/dbraw/zinc/19/61/32/1382196132.db2.gz KTGDZUJSGFHLGC-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001292646670 1382206961 /nfs/dbraw/zinc/20/69/61/1382206961.db2.gz ALLZSQPPFNMOLF-UHFFFAOYSA-N 0 0 348.790 3.293 10 5 EGBERN Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293608046 1382313771 /nfs/dbraw/zinc/31/37/71/1382313771.db2.gz LLKYOOMFLAOCGP-OAHLLOKOSA-N 0 0 339.395 3.333 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCCc1ccc(O)cc1 ZINC001293911482 1382391551 /nfs/dbraw/zinc/39/15/51/1382391551.db2.gz IEXBMRLFWDXYOZ-UHFFFAOYSA-N 0 0 348.786 3.245 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC001294542705 1382469160 /nfs/dbraw/zinc/46/91/60/1382469160.db2.gz OTDWDIFGFSCIDG-SMDDNHRTSA-N 0 0 332.356 3.047 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)n1 ZINC001294681557 1382483717 /nfs/dbraw/zinc/48/37/17/1382483717.db2.gz OZHDWMCRDYLYGK-UHFFFAOYSA-N 0 0 341.367 3.056 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328614467 1388789300 /nfs/dbraw/zinc/78/93/00/1388789300.db2.gz DRNLXQXZRHYKHI-ADEWGFFLSA-N 0 0 325.315 3.459 10 5 EGBERN Cn1nnc2c1ncnc2Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001162258314 1382706173 /nfs/dbraw/zinc/70/61/73/1382706173.db2.gz IIPDEUOCOJOGNX-UHFFFAOYSA-N 0 0 348.322 3.126 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(F)cc(Cl)c1N)CC2 ZINC001295619280 1382744854 /nfs/dbraw/zinc/74/48/54/1382744854.db2.gz AWYCAHZRZZGLER-UHFFFAOYSA-N 0 0 349.749 3.481 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC001295653243 1382762038 /nfs/dbraw/zinc/76/20/38/1382762038.db2.gz FLYLVNSBHQQJSU-AWEZNQCLSA-N 0 0 346.408 3.070 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)CCOC(C)(C)C)c2c1 ZINC001162799624 1382875951 /nfs/dbraw/zinc/87/59/51/1382875951.db2.gz FRMWEGDXSDMDMA-UHFFFAOYSA-N 0 0 333.388 3.403 10 5 EGBERN CCc1cnc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])o1 ZINC001163100044 1382965013 /nfs/dbraw/zinc/96/50/13/1382965013.db2.gz TXVQYPHFHCAPOR-UHFFFAOYSA-N 0 0 332.747 3.381 10 5 EGBERN CCc1cc(NC[C@@](C)(CC)OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163345911 1383028523 /nfs/dbraw/zinc/02/85/23/1383028523.db2.gz AXJQETVLEVJLRN-GOSISDBHSA-N 0 0 344.415 3.263 10 5 EGBERN CN(C[C@@H](O)Cc1ccccc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001163410703 1383046205 /nfs/dbraw/zinc/04/62/05/1383046205.db2.gz BHVPVZRNHAABDD-INIZCTEOSA-N 0 0 337.379 3.183 10 5 EGBERN Cc1cc(CNc2c(Br)cccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC001163537721 1383073293 /nfs/dbraw/zinc/07/32/93/1383073293.db2.gz BPHXAGGWKQRWQG-UHFFFAOYSA-N 0 0 338.161 3.378 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@H]3C3CCC3)c2c1 ZINC001163565867 1383080735 /nfs/dbraw/zinc/08/07/35/1383080735.db2.gz FWKKDHSFCZAIIS-AAEUAGOBSA-N 0 0 342.355 3.321 10 5 EGBERN CN(CCc1nc2ccccc2[nH]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001163576716 1383082586 /nfs/dbraw/zinc/08/25/86/1383082586.db2.gz GPTVAAPMIOIWIC-UHFFFAOYSA-N 0 0 336.355 3.026 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nnc(C2CC2)s1 ZINC001163987362 1383143459 /nfs/dbraw/zinc/14/34/59/1383143459.db2.gz GQHBDTLJPAFUBQ-UHFFFAOYSA-N 0 0 338.776 3.158 10 5 EGBERN Cc1csc([C@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164068310 1383152674 /nfs/dbraw/zinc/15/26/74/1383152674.db2.gz UZVBMABWOSOJMJ-JTQLQIEISA-N 0 0 334.357 3.262 10 5 EGBERN CCOC(=O)c1cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC001164114497 1383157656 /nfs/dbraw/zinc/15/76/56/1383157656.db2.gz LWBFOOHIYIFULP-SNVBAGLBSA-N 0 0 330.344 3.043 10 5 EGBERN Cc1noc(Cc2ccc(Nc3nccc(C)c3[N+](=O)[O-])cc2)n1 ZINC001164265416 1383172740 /nfs/dbraw/zinc/17/27/40/1383172740.db2.gz TYSPNWBWMIHQCU-UHFFFAOYSA-N 0 0 325.328 3.324 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001164276108 1383173796 /nfs/dbraw/zinc/17/37/96/1383173796.db2.gz APIYZIUTKOYYGN-OAHLLOKOSA-N 0 0 341.367 3.136 10 5 EGBERN O=C1Nc2ccccc2S[C@@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001164575273 1383200487 /nfs/dbraw/zinc/20/04/87/1383200487.db2.gz AYBLHUNAPWLESE-OAHLLOKOSA-N 0 0 330.365 3.477 10 5 EGBERN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1F ZINC001165667617 1383321987 /nfs/dbraw/zinc/32/19/87/1383321987.db2.gz POLUYXVMGOFFFM-MRXNPFEDSA-N 0 0 331.347 3.443 10 5 EGBERN O=c1c([N+](=O)[O-])cn(C[C@@H]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165782648 1383344444 /nfs/dbraw/zinc/34/44/44/1383344444.db2.gz WQJCLPLHQLAURZ-TZMCWYRMSA-N 0 0 343.339 3.249 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC001165893310 1383358450 /nfs/dbraw/zinc/35/84/50/1383358450.db2.gz GGPSZSPHDGQFOH-UHFFFAOYSA-N 0 0 337.335 3.251 10 5 EGBERN Cc1nn(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001166286082 1383409225 /nfs/dbraw/zinc/40/92/25/1383409225.db2.gz AEOKICZBZRIRNA-UHFFFAOYSA-N 0 0 331.115 3.363 10 5 EGBERN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001298733966 1383425805 /nfs/dbraw/zinc/42/58/05/1383425805.db2.gz ILGVAPHRKZBIIS-ZIAGYGMSSA-N 0 0 335.404 3.223 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC001299025558 1383455561 /nfs/dbraw/zinc/45/55/61/1383455561.db2.gz LIJSBTMHQGZJDC-HNNXBMFYSA-N 0 0 338.367 3.281 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CSCCNC(=O)OC(C)(C)C ZINC001166898134 1383496307 /nfs/dbraw/zinc/49/63/07/1383496307.db2.gz WBKDMPYMSPZRHD-UHFFFAOYSA-N 0 0 342.417 3.361 10 5 EGBERN O=C(COc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(Cl)c1 ZINC001166932804 1383501411 /nfs/dbraw/zinc/50/14/11/1383501411.db2.gz LLAZFIPVTJDQLA-UHFFFAOYSA-N 0 0 349.726 3.281 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN[C@@H](c2ccccc2)C1 ZINC001299399180 1383525667 /nfs/dbraw/zinc/52/56/67/1383525667.db2.gz RDPPHTJSUBEJSX-OAHLLOKOSA-N 0 0 345.786 3.035 10 5 EGBERN COc1ccccc1N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001300451404 1383665833 /nfs/dbraw/zinc/66/58/33/1383665833.db2.gz IUXJOZZNSYDXAZ-UHFFFAOYSA-N 0 0 334.759 3.462 10 5 EGBERN CC(C)[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC001300455975 1383666480 /nfs/dbraw/zinc/66/64/80/1383666480.db2.gz KHRLDAIEMDBERG-NSHDSACASA-N 0 0 340.742 3.238 10 5 EGBERN Cc1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001302425873 1383752921 /nfs/dbraw/zinc/75/29/21/1383752921.db2.gz TTWXYJJBEZVPPD-QGZVFWFLSA-N 0 0 348.786 3.194 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001302899922 1383772164 /nfs/dbraw/zinc/77/21/64/1383772164.db2.gz LFKZDTIFPGKJNX-SNVBAGLBSA-N 0 0 343.314 3.295 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001302996364 1383777238 /nfs/dbraw/zinc/77/72/38/1383777238.db2.gz MCILFHZSLJVZTN-WBMJQRKESA-N 0 0 347.321 3.072 10 5 EGBERN Cc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc(C)n1 ZINC001303180048 1383786644 /nfs/dbraw/zinc/78/66/44/1383786644.db2.gz CTYJXQYMQTUJKX-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN C[C@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCOc2ccccc21 ZINC001304003324 1383820072 /nfs/dbraw/zinc/82/00/72/1383820072.db2.gz HWTAXKGTQYRSJO-KRWDZBQOSA-N 0 0 330.315 3.162 10 5 EGBERN O=C(Nc1ccnn1C1CCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001304662638 1383852095 /nfs/dbraw/zinc/85/20/95/1383852095.db2.gz VONHPYCEEKYRBX-UHFFFAOYSA-N 0 0 325.328 3.250 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC2(CC2)Oc2ccccc21 ZINC001304757469 1383853359 /nfs/dbraw/zinc/85/33/59/1383853359.db2.gz PCUXJFWYPAFOQV-UHFFFAOYSA-N 0 0 328.299 3.306 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1cccc(F)c1F ZINC001306965990 1383927046 /nfs/dbraw/zinc/92/70/46/1383927046.db2.gz SRXBNCVKGOJVEY-UHFFFAOYSA-N 0 0 329.306 3.498 10 5 EGBERN Cc1ccnc(-c2cccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)c2)n1 ZINC001306966808 1383927103 /nfs/dbraw/zinc/92/71/03/1383927103.db2.gz VSKBLOMWKNSRMJ-UHFFFAOYSA-N 0 0 349.350 3.203 10 5 EGBERN CN(C)c1nnc(Sc2ccc3cnccc3c2[N+](=O)[O-])s1 ZINC001306969910 1383927997 /nfs/dbraw/zinc/92/79/97/1383927997.db2.gz IRJZXJPIBQVUJD-UHFFFAOYSA-N 0 0 333.398 3.212 10 5 EGBERN Cc1ccc(N2CC[C@H](Nc3cc(C)ccc3[N+](=O)[O-])C2=O)cc1 ZINC001306972825 1383928538 /nfs/dbraw/zinc/92/85/38/1383928538.db2.gz ZWYFQSPZEKPDDG-HNNXBMFYSA-N 0 0 325.368 3.429 10 5 EGBERN CCc1nn(C)c(N[C@@H]2CCCc3ccc(OC)cc32)c1[N+](=O)[O-] ZINC001307082466 1383938361 /nfs/dbraw/zinc/93/83/61/1383938361.db2.gz DVRZSCXILSQVHE-OAHLLOKOSA-N 0 0 330.388 3.389 10 5 EGBERN Cn1c(CCNc2ccsc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001307094235 1383939857 /nfs/dbraw/zinc/93/98/57/1383939857.db2.gz HVYVXSWNBYQCED-UHFFFAOYSA-N 0 0 329.385 3.106 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCCN1CCCOCC1 ZINC001307103356 1383940675 /nfs/dbraw/zinc/94/06/75/1383940675.db2.gz ZANRYZQHBOPMQA-UHFFFAOYSA-N 0 0 334.203 3.036 10 5 EGBERN C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001307150582 1383946030 /nfs/dbraw/zinc/94/60/30/1383946030.db2.gz MCHYQWWFHWXHRZ-QWRGUYRKSA-N 0 0 326.418 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001307181571 1383951848 /nfs/dbraw/zinc/95/18/48/1383951848.db2.gz KVTBXMLOQPXGHF-RDJZCZTQSA-N 0 0 343.339 3.205 10 5 EGBERN CCc1c[nH]c(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001307209343 1383957609 /nfs/dbraw/zinc/95/76/09/1383957609.db2.gz ZQPOOEIDXDCKKH-UHFFFAOYSA-N 0 0 332.751 3.089 10 5 EGBERN CCCc1nsc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001307209651 1383957633 /nfs/dbraw/zinc/95/76/33/1383957633.db2.gz ITDLEFHUYAUQFB-UHFFFAOYSA-N 0 0 346.416 3.320 10 5 EGBERN CCc1noc([C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001307224003 1383960035 /nfs/dbraw/zinc/96/00/35/1383960035.db2.gz DERUSEWJSZTZNI-NXEZZACHSA-N 0 0 347.331 3.197 10 5 EGBERN Cc1[nH]c2ccccc2c1SCCNc1ccncc1[N+](=O)[O-] ZINC001307234843 1383962679 /nfs/dbraw/zinc/96/26/79/1383962679.db2.gz PUQPJOOTSBYNPL-UHFFFAOYSA-N 0 0 328.397 3.406 10 5 EGBERN Cc1cc(OCc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC001307274112 1383965474 /nfs/dbraw/zinc/96/54/74/1383965474.db2.gz LWIKMLSNFYNYSS-UHFFFAOYSA-N 0 0 342.395 3.314 10 5 EGBERN Cc1noc(CSc2ccc(Br)cn2)c1[N+](=O)[O-] ZINC001307293042 1383967133 /nfs/dbraw/zinc/96/71/33/1383967133.db2.gz NUVHVBLSHCSZJY-UHFFFAOYSA-N 0 0 330.163 3.341 10 5 EGBERN O=C(CSC[C@H]1CC1(Cl)Cl)Nc1ccccc1[N+](=O)[O-] ZINC001307295888 1383968397 /nfs/dbraw/zinc/96/83/97/1383968397.db2.gz NWIOSLBLJFYGTA-MRVPVSSYSA-N 0 0 335.212 3.460 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3cc(CO)ccc3F)c2)c1 ZINC001307324200 1383972119 /nfs/dbraw/zinc/97/21/19/1383972119.db2.gz FCUGKGZYQOWGDH-UHFFFAOYSA-N 0 0 327.315 3.138 10 5 EGBERN COC[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307838894 1384039429 /nfs/dbraw/zinc/03/94/29/1384039429.db2.gz IKOZPKOZBNUERS-LLVKDONJSA-N 0 0 343.221 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCOc3cc(F)ccc3C2)cc1 ZINC001307973287 1384065674 /nfs/dbraw/zinc/06/56/74/1384065674.db2.gz AOZKAUSQSXCRGA-UHFFFAOYSA-N 0 0 332.331 3.007 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CF)c3ccc(F)cc3)nc2c1 ZINC001308020172 1384076868 /nfs/dbraw/zinc/07/68/68/1384076868.db2.gz PYOSWRJVAXOOBM-HNNXBMFYSA-N 0 0 332.310 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(F)(F)CC[C@@H]1C ZINC001308154497 1384101536 /nfs/dbraw/zinc/10/15/36/1384101536.db2.gz SCTRMCCGXAVUQI-LBPRGKRZSA-N 0 0 341.358 3.351 10 5 EGBERN C[C@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC001311610879 1384293693 /nfs/dbraw/zinc/29/36/93/1384293693.db2.gz HOTISOWGMWFMCS-FDQGKXFDSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@H]1[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001312312914 1384339338 /nfs/dbraw/zinc/33/93/38/1384339338.db2.gz GFNOXHUIWAODGP-XYPHTWIQSA-N 0 0 349.431 3.238 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CC)CC1 ZINC001313561401 1384426504 /nfs/dbraw/zinc/42/65/04/1384426504.db2.gz OTTNYIYZUBHHGU-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CC[C@@H](C)Oc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001174843101 1385158265 /nfs/dbraw/zinc/15/82/65/1385158265.db2.gz MCCNVTJSXPJEEW-SECBINFHSA-N 0 0 348.334 3.141 10 5 EGBERN C[C@H](COc1ccccc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001335960689 1388976934 /nfs/dbraw/zinc/97/69/34/1388976934.db2.gz VNACSUJSOGTFOA-CYBMUJFWSA-N 0 0 346.358 3.250 10 5 EGBERN C[C@H]1CCC[C@H]1CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177680687 1386021616 /nfs/dbraw/zinc/02/16/16/1386021616.db2.gz BMPCJALEZDPAEN-STQMWFEESA-N 0 0 344.415 3.346 10 5 EGBERN CNc1c(C(=O)NCc2cscc2Cl)cccc1[N+](=O)[O-] ZINC001178013209 1386108819 /nfs/dbraw/zinc/10/88/19/1386108819.db2.gz JDKSLCLKJWPLHL-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN Cc1ncoc1-c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001178329742 1386190141 /nfs/dbraw/zinc/19/01/41/1386190141.db2.gz AYBNBVCUISGNQO-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN CC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC001179397944 1386474527 /nfs/dbraw/zinc/47/45/27/1386474527.db2.gz APUQTVSOQPBRDR-LLVKDONJSA-N 0 0 342.351 3.037 10 5 EGBERN Cc1ccc(C(=O)N(C)CCN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC001320073121 1386492593 /nfs/dbraw/zinc/49/25/93/1386492593.db2.gz RAJVROPCPUSJIU-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN C[C@H]1CC[C@H](C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320073297 1386493365 /nfs/dbraw/zinc/49/33/65/1386493365.db2.gz WLDVKWJIHCNSIU-JCNLHEQBSA-N 0 0 347.459 3.311 10 5 EGBERN Cc1nc2ccccn2c1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001180197465 1386729367 /nfs/dbraw/zinc/72/93/67/1386729367.db2.gz VIGFUCWSEBRUPI-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC001320936082 1386763372 /nfs/dbraw/zinc/76/33/72/1386763372.db2.gz QIDSJNFQDKFNMP-HZMBPMFUSA-N 0 0 343.221 3.214 10 5 EGBERN CC(=O)Nc1ccccc1CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001181021877 1386918045 /nfs/dbraw/zinc/91/80/45/1386918045.db2.gz JLVCRTBBPGQCAC-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN CC[C@@H]1CCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182599682 1387194832 /nfs/dbraw/zinc/19/48/32/1387194832.db2.gz CTBHJOSQVXKTGV-ZWNOBZJWSA-N 0 0 329.360 3.145 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC001329585468 1389166605 /nfs/dbraw/zinc/16/66/05/1389166605.db2.gz COIMNIKQBASOHG-UVBSCNOISA-N 0 0 332.400 3.231 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329589700 1389169186 /nfs/dbraw/zinc/16/91/86/1389169186.db2.gz VTVDFYGJKPHMOK-BNOWGMLFSA-N 0 0 349.337 3.100 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC001329917771 1389256269 /nfs/dbraw/zinc/25/62/69/1389256269.db2.gz HLOHIBNIWXHSOQ-ZDUSSCGKSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001330634353 1389478204 /nfs/dbraw/zinc/47/82/04/1389478204.db2.gz XOUZRZIABUSXMM-ROUUACIJSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1cc(F)cc(C(=O)NC[C@@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001331547296 1389794640 /nfs/dbraw/zinc/79/46/40/1389794640.db2.gz HVXWVVHNGARNDS-ZDUSSCGKSA-N 0 0 336.363 3.121 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCC1(F)F ZINC001334281397 1390511138 /nfs/dbraw/zinc/51/11/38/1390511138.db2.gz WMOGGUNUAALSNQ-SNVBAGLBSA-N 0 0 327.331 3.192 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001344685213 1390808352 /nfs/dbraw/zinc/80/83/52/1390808352.db2.gz MABFXXRUGFHJBE-HNNXBMFYSA-N 0 0 333.388 3.435 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC001345000324 1390829484 /nfs/dbraw/zinc/82/94/84/1390829484.db2.gz MCTAVNYZTHDPCL-GFCCVEGCSA-N 0 0 337.763 3.046 10 5 EGBERN COc1ccc(NC(=O)NCC[C@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])c1 ZINC001345094878 1390836685 /nfs/dbraw/zinc/83/66/85/1390836685.db2.gz AUJKLQYYXXDOFZ-ZIAGYGMSSA-N 0 0 345.758 3.430 10 5 EGBERN C[C@H](C(=O)OCc1[nH]cnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001345227055 1390850083 /nfs/dbraw/zinc/85/00/83/1390850083.db2.gz YWVACWRXCOFOQW-QMMMGPOBSA-N 0 0 343.261 3.184 10 5 EGBERN C[C@H](COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001345663366 1390873566 /nfs/dbraw/zinc/87/35/66/1390873566.db2.gz HQLJDAQAYCZHGZ-CYBMUJFWSA-N 0 0 335.400 3.478 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC001345841987 1390888738 /nfs/dbraw/zinc/88/87/38/1390888738.db2.gz CZSLFIRVMXBNQX-OAHLLOKOSA-N 0 0 333.388 3.374 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CO1 ZINC001346759566 1390977748 /nfs/dbraw/zinc/97/77/48/1390977748.db2.gz YBDXSGIBHYHVBY-MRVPVSSYSA-N 0 0 333.262 3.338 10 5 EGBERN CCC1(CC(=O)Oc2cc(Br)ccc2[N+](=O)[O-])COC1 ZINC001346979103 1390990671 /nfs/dbraw/zinc/99/06/71/1390990671.db2.gz GGJBPFPYSUVIPC-UHFFFAOYSA-N 0 0 344.161 3.079 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001347371303 1391062996 /nfs/dbraw/zinc/06/29/96/1391062996.db2.gz SHOJMSWNPOTSGK-GDBMZVCRSA-N 0 0 332.356 3.294 10 5 EGBERN COc1ccc(NC(=O)NCCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001347483167 1391082253 /nfs/dbraw/zinc/08/22/53/1391082253.db2.gz CVDSVCOQIVMGCC-UHFFFAOYSA-N 0 0 347.346 3.497 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001348030639 1391162423 /nfs/dbraw/zinc/16/24/23/1391162423.db2.gz RZDIGKLFZVGNIE-DVVUODLYSA-N 0 0 326.299 3.223 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1cc(Cl)ccc1Cl ZINC001348147592 1391179265 /nfs/dbraw/zinc/17/92/65/1391179265.db2.gz FICZSHGCGGVKGZ-UHFFFAOYSA-N 0 0 330.127 3.012 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001348254052 1391192945 /nfs/dbraw/zinc/19/29/45/1391192945.db2.gz JKQUOTRRLFOHAU-GDBMZVCRSA-N 0 0 343.383 3.250 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC001348306590 1391202911 /nfs/dbraw/zinc/20/29/11/1391202911.db2.gz RHEGJYDESNMGTF-INIZCTEOSA-N 0 0 348.447 3.227 10 5 EGBERN C[C@@]12CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001348311901 1391203990 /nfs/dbraw/zinc/20/39/90/1391203990.db2.gz ACAQYTHNYZSEIV-HNYPWWNKSA-N 0 0 334.322 3.157 10 5 EGBERN COc1ccc(NC(=O)c2ccc(NC(C)C)nc2)c([N+](=O)[O-])c1 ZINC001348467588 1391223533 /nfs/dbraw/zinc/22/35/33/1391223533.db2.gz SMXLEIKYQCYOMH-UHFFFAOYSA-N 0 0 330.344 3.071 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001348467084 1391223812 /nfs/dbraw/zinc/22/38/12/1391223812.db2.gz AVYLLRZUAUYZRR-HNNXBMFYSA-N 0 0 334.303 3.069 10 5 EGBERN Cc1ccc(NC(=O)[C@@]2(C)OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001348468720 1391224141 /nfs/dbraw/zinc/22/41/41/1391224141.db2.gz NBUGEVGPEDZOHC-SFHVURJKSA-N 0 0 326.352 3.330 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001350249362 1391436636 /nfs/dbraw/zinc/43/66/36/1391436636.db2.gz ZIUSNQFOEKFIEC-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN O=C(COCc1cccc(Cl)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC001351109085 1391598527 /nfs/dbraw/zinc/59/85/27/1391598527.db2.gz MFKOGZCHUSATOJ-UHFFFAOYSA-N 0 0 334.759 3.081 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 ZINC001351310960 1391624615 /nfs/dbraw/zinc/62/46/15/1391624615.db2.gz HYLQKVVUZSIBPW-VIFPVBQESA-N 0 0 332.287 3.205 10 5 EGBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)o1 ZINC001351430979 1391638990 /nfs/dbraw/zinc/63/89/90/1391638990.db2.gz UALUPJGJZZGAQF-UHFFFAOYSA-N 0 0 331.202 3.348 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001351443423 1391639968 /nfs/dbraw/zinc/63/99/68/1391639968.db2.gz CGWAPDVLLYAMAP-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@@H](c1ccco1)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC001351515255 1391647634 /nfs/dbraw/zinc/64/76/34/1391647634.db2.gz GHSARSFKIBTZES-JTQLQIEISA-N 0 0 344.323 3.282 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1cccc(Cl)c1 ZINC001351639268 1391662449 /nfs/dbraw/zinc/66/24/49/1391662449.db2.gz GZSXQIVXYITNJH-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1COc2ccccc2C1 ZINC001351972877 1391732325 /nfs/dbraw/zinc/73/23/25/1391732325.db2.gz PPLJVLNUSVRGOS-GFCCVEGCSA-N 0 0 344.342 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001352634178 1391826782 /nfs/dbraw/zinc/82/67/82/1391826782.db2.gz CYCFLGGLJSXCRS-LBPRGKRZSA-N 0 0 330.315 3.232 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)co1 ZINC001352691462 1391832520 /nfs/dbraw/zinc/83/25/20/1391832520.db2.gz UVKGAVWLJJERSA-UHFFFAOYSA-N 0 0 341.117 3.211 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001352702598 1391834277 /nfs/dbraw/zinc/83/42/77/1391834277.db2.gz GVSVNWGFHIKWKZ-LLVKDONJSA-N 0 0 348.330 3.286 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC001353860759 1392103014 /nfs/dbraw/zinc/10/30/14/1392103014.db2.gz NYGJRGOLZWRUFB-HSZRJFAPSA-N 0 0 336.344 3.032 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001353958607 1392109885 /nfs/dbraw/zinc/10/98/85/1392109885.db2.gz UORZTNDSMMRHRW-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001353971802 1392110664 /nfs/dbraw/zinc/11/06/64/1392110664.db2.gz NYIGJULILAKSTN-CZUORRHYSA-N 0 0 349.431 3.025 10 5 EGBERN CN(Cc1ccco1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001354207815 1392127462 /nfs/dbraw/zinc/12/74/62/1392127462.db2.gz NDOYSKNWLCFWAE-UHFFFAOYSA-N 0 0 328.246 3.479 10 5 EGBERN COC(=O)c1ccccc1N(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001354368301 1392140625 /nfs/dbraw/zinc/14/06/25/1392140625.db2.gz XNNZQXMPDVEURP-UHFFFAOYSA-N 0 0 342.351 3.275 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC001354450958 1392145155 /nfs/dbraw/zinc/14/51/55/1392145155.db2.gz MBFRHCQBYXJLLW-SNVBAGLBSA-N 0 0 335.310 3.410 10 5 EGBERN CCNc1ccc(C(=O)N2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC001354675728 1392160544 /nfs/dbraw/zinc/16/05/44/1392160544.db2.gz OUZAZTXUIAHVHZ-UHFFFAOYSA-N 0 0 335.404 3.056 10 5 EGBERN Nc1c(C(=O)NCc2ccc(F)cc2)cc2ccccc2c1[N+](=O)[O-] ZINC001354711750 1392163173 /nfs/dbraw/zinc/16/31/73/1392163173.db2.gz HYTISSQGLMGBQQ-UHFFFAOYSA-N 0 0 339.326 3.399 10 5 EGBERN O=C(c1cnccc1C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354843324 1392172296 /nfs/dbraw/zinc/17/22/96/1392172296.db2.gz YTVWOJYJSQHCBU-UHFFFAOYSA-N 0 0 337.257 3.165 10 5 EGBERN Cc1cc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001480887022 1392999504 /nfs/dbraw/zinc/99/95/04/1392999504.db2.gz BBRQTRSAJVLRNC-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001687575356 1396412659 /nfs/dbraw/zinc/41/26/59/1396412659.db2.gz NIPCGQDLZCGYMI-DYVFJYSZSA-N 0 0 337.420 3.142 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001687575355 1396412782 /nfs/dbraw/zinc/41/27/82/1396412782.db2.gz NIPCGQDLZCGYMI-CXAGYDPISA-N 0 0 337.420 3.142 10 5 EGBERN CCCC(CCC)C(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001494437906 1396446946 /nfs/dbraw/zinc/44/69/46/1396446946.db2.gz WMDZGZYQPDFGFX-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CC/C=C(\C)C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001691202845 1405142441 /nfs/dbraw/zinc/14/24/41/1405142441.db2.gz FISMBQNCXPOMHQ-UUILKARUSA-N 0 0 337.445 3.093 10 5 EGBERN CCN(CCNC(=O)C1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001731800840 1427963612 /nfs/dbraw/zinc/96/36/12/1427963612.db2.gz HACQMTWWRMKOLX-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1(C)CC1 ZINC001709038338 1417415826 /nfs/dbraw/zinc/41/58/26/1417415826.db2.gz LUYSOPSEMLXHSC-UHFFFAOYSA-N 0 0 329.404 3.185 10 5 EGBERN CCN(CCNC(=O)C=C1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714579533 1419317115 /nfs/dbraw/zinc/31/71/15/1419317115.db2.gz YAYAAOFQLCMGMN-UHFFFAOYSA-N 0 0 345.443 3.423 10 5 EGBERN CCCCCCC(=O)N(C)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001733318935 1429505042 /nfs/dbraw/zinc/50/50/42/1429505042.db2.gz ZYKXEQQUAJNDKX-UHFFFAOYSA-N 0 0 333.432 3.208 10 5 EGBERN CCCC(C)(C)C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001723554869 1424463613 /nfs/dbraw/zinc/46/36/13/1424463613.db2.gz NMPGOGWSDOXDBO-UHFFFAOYSA-N 0 0 339.461 3.221 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1 ZINC001728091112 1427136280 /nfs/dbraw/zinc/13/62/80/1427136280.db2.gz XSQQXUZWVHNMCG-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001770409987 1441411981 /nfs/dbraw/zinc/41/19/81/1441411981.db2.gz NJJTYYJMWOFMJL-GFCCVEGCSA-N 0 0 347.444 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000368475689 168361452 /nfs/dbraw/zinc/36/14/52/168361452.db2.gz VOKNZKBBMRKENW-AWEZNQCLSA-N 0 0 342.399 3.298 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000177794203 529602307 /nfs/dbraw/zinc/60/23/07/529602307.db2.gz VNFASROXNPXWAB-OAHLLOKOSA-N 0 0 342.351 3.134 10 5 EGBERN O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000375242491 304007526 /nfs/dbraw/zinc/00/75/26/304007526.db2.gz OMYDILRWQCQRFK-UHFFFAOYSA-N 0 0 339.351 3.031 10 5 EGBERN Cc1sc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000184173521 235323354 /nfs/dbraw/zinc/32/33/54/235323354.db2.gz VGGNMOXETSKKCV-SNVBAGLBSA-N 0 0 336.373 3.105 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1noc2ccccc12 ZINC000020516573 202046117 /nfs/dbraw/zinc/04/61/17/202046117.db2.gz HUCYHBUJLUWGSF-UHFFFAOYSA-N 0 0 342.311 3.066 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000036396053 202325024 /nfs/dbraw/zinc/32/50/24/202325024.db2.gz DLUNDCIPWUTKQV-UHFFFAOYSA-N 0 0 347.321 3.142 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000193473450 283667924 /nfs/dbraw/zinc/66/79/24/283667924.db2.gz POQQOOWFDDLMEX-NSHDSACASA-N 0 0 334.326 3.146 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000265287150 201215837 /nfs/dbraw/zinc/21/58/37/201215837.db2.gz QOJMALNFGJXUNT-OAHLLOKOSA-N 0 0 330.340 3.239 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341333243 291320211 /nfs/dbraw/zinc/32/02/11/291320211.db2.gz ZDHKDMVIMQBMOF-NSHDSACASA-N 0 0 340.335 3.083 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2cnn(-c3ccccc3)c2)n1 ZINC000359088571 241899086 /nfs/dbraw/zinc/89/90/86/241899086.db2.gz ZPYLCQRLTFKQNC-UHFFFAOYSA-N 0 0 337.383 3.447 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000372114443 242043348 /nfs/dbraw/zinc/04/33/48/242043348.db2.gz SLJQPFUHEIYXKR-IINYFYTJSA-N 0 0 332.381 3.121 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H](c2cccnc2)c2ccc(F)c(F)c2)nc1 ZINC000095940389 203770956 /nfs/dbraw/zinc/77/09/56/203770956.db2.gz OGNJMRQXEVSCGH-HNNXBMFYSA-N 0 0 343.293 3.260 10 5 EGBERN CCCO[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000108322011 204259788 /nfs/dbraw/zinc/25/97/88/204259788.db2.gz OTXBDDWDYOEJCS-CQSZACIVSA-N 0 0 345.399 3.497 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccsc4)C3)nc2c1 ZINC000125672664 205019326 /nfs/dbraw/zinc/01/93/26/205019326.db2.gz ZJKFCBWOFCBSPA-HNNXBMFYSA-N 0 0 345.380 3.371 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000127382748 205097722 /nfs/dbraw/zinc/09/77/22/205097722.db2.gz DTJSSHUOCMDULY-MLGOLLRUSA-N 0 0 343.387 3.215 10 5 EGBERN O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129322513 205188508 /nfs/dbraw/zinc/18/85/08/205188508.db2.gz BDKJXZSRUWDVCI-UHFFFAOYSA-N 0 0 343.358 3.133 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000130840138 205261067 /nfs/dbraw/zinc/26/10/67/205261067.db2.gz CIFUTUQJOZSOKM-HNNXBMFYSA-N 0 0 343.387 3.223 10 5 EGBERN O=C1NC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1Cl ZINC000000787431 205527266 /nfs/dbraw/zinc/52/72/66/205527266.db2.gz NVEDVGFTZKTOKN-ZROIWOOFSA-N 0 0 327.727 3.166 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2cccs2)C1 ZINC000157507510 206140602 /nfs/dbraw/zinc/14/06/02/206140602.db2.gz MDZPBIPAIRTGON-HNNXBMFYSA-N 0 0 334.397 3.238 10 5 EGBERN CCOCCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000159641278 206255578 /nfs/dbraw/zinc/25/55/78/206255578.db2.gz FYEFDULRHHBKCW-UHFFFAOYSA-N 0 0 345.399 3.403 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000265241518 247329054 /nfs/dbraw/zinc/32/90/54/247329054.db2.gz OUAAGBYINODXOE-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN Cc1csc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)n1 ZINC000265217515 247307599 /nfs/dbraw/zinc/30/75/99/247307599.db2.gz CGGNOIHFDZMUDN-UHFFFAOYSA-N 0 0 335.360 3.308 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000161768181 206370361 /nfs/dbraw/zinc/37/03/61/206370361.db2.gz RVARGIZURUDFIU-LLVKDONJSA-N 0 0 338.410 3.240 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[N+](=O)[O-] ZINC000377353690 169013669 /nfs/dbraw/zinc/01/36/69/169013669.db2.gz BNOXZSPAUKZHOX-RHSMWYFYSA-N 0 0 326.352 3.245 10 5 EGBERN COc1cc(OCC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000378620293 169148082 /nfs/dbraw/zinc/14/80/82/169148082.db2.gz SHBRPDAYVVAUJL-SCLBCKFNSA-N 0 0 348.399 3.021 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000365315949 296293434 /nfs/dbraw/zinc/29/34/34/296293434.db2.gz FLOHIIWXEFYAAL-SNVBAGLBSA-N 0 0 344.820 3.201 10 5 EGBERN CC[C@@H](NC(=O)NCCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000175634340 207143565 /nfs/dbraw/zinc/14/35/65/207143565.db2.gz HBPVMYXPDSWXHO-MRXNPFEDSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000268262960 251774626 /nfs/dbraw/zinc/77/46/26/251774626.db2.gz XXOAOXCTNQQZJG-GFCCVEGCSA-N 0 0 338.410 3.240 10 5 EGBERN CC[C@H](NC(=O)CCc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000177784732 207397453 /nfs/dbraw/zinc/39/74/53/207397453.db2.gz DWXAJCQBQKYPGK-INIZCTEOSA-N 0 0 330.388 3.135 10 5 EGBERN CC[C@H](NC(=O)CSCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000177782977 207397660 /nfs/dbraw/zinc/39/76/60/207397660.db2.gz LRTPGKPVZZRGAY-INIZCTEOSA-N 0 0 345.424 3.491 10 5 EGBERN O=C1[C@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000370324797 285010081 /nfs/dbraw/zinc/01/00/81/285010081.db2.gz KOZDWDHSJODBFZ-CZUORRHYSA-N 0 0 343.383 3.332 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cscn2)nc1-c1ccc(F)cc1 ZINC000362357895 285109178 /nfs/dbraw/zinc/10/91/78/285109178.db2.gz HIDJQILAJKDXSV-UHFFFAOYSA-N 0 0 330.344 3.286 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000102633170 140857521 /nfs/dbraw/zinc/85/75/21/140857521.db2.gz AKBKOCIILZAURT-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000246733205 141029082 /nfs/dbraw/zinc/02/90/82/141029082.db2.gz NZHVKIMYAIUIKH-LERXQTSPSA-N 0 0 336.413 3.042 10 5 EGBERN C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1[N+](=O)[O-] ZINC000341264558 141147353 /nfs/dbraw/zinc/14/73/53/141147353.db2.gz QRLVCKYMDGJGAP-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000346281512 141190429 /nfs/dbraw/zinc/19/04/29/141190429.db2.gz VLWXLJVRRHTHKG-VVVCHXIZSA-N 0 0 348.305 3.054 10 5 EGBERN CC[C@H](NC(=O)NCCSC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000347952970 141224407 /nfs/dbraw/zinc/22/44/07/141224407.db2.gz QTXPPTOSQOKWNZ-AWEZNQCLSA-N 0 0 325.434 3.487 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354694372 141320789 /nfs/dbraw/zinc/32/07/89/141320789.db2.gz ALFHNZYJQUVRPM-HZSPNIEDSA-N 0 0 329.400 3.443 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000356313216 141339814 /nfs/dbraw/zinc/33/98/14/141339814.db2.gz QMOMLROFIHWZSN-UHFFFAOYSA-N 0 0 343.305 3.241 10 5 EGBERN CSc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000357978741 141372712 /nfs/dbraw/zinc/37/27/12/141372712.db2.gz XYDNSSLTXVFKIG-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[C@H](O)C(F)(F)F ZINC000338295195 142623124 /nfs/dbraw/zinc/62/31/24/142623124.db2.gz OJZMXNIHJKXVMU-VIFPVBQESA-N 0 0 332.200 3.339 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171647720 144008944 /nfs/dbraw/zinc/00/89/44/144008944.db2.gz IZZMQOPHKZJLLO-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(Cc3ccccn3)CC2)c(Cl)c1 ZINC000172410499 144021038 /nfs/dbraw/zinc/02/10/38/144021038.db2.gz KMZLDGXMYIPNGO-UHFFFAOYSA-N 0 0 332.791 3.497 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Sc1ccccc1 ZINC000172919364 144030935 /nfs/dbraw/zinc/03/09/35/144030935.db2.gz IPBGDVMGWDCRPQ-NSHDSACASA-N 0 0 331.397 3.209 10 5 EGBERN Cc1nnc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378755 144040084 /nfs/dbraw/zinc/04/00/84/144040084.db2.gz RCXDRMDOBXXMFJ-YVEFUNNKSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000173414568 144041880 /nfs/dbraw/zinc/04/18/80/144041880.db2.gz QWGDZGKOWRZGQK-CQSZACIVSA-N 0 0 345.424 3.308 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)COc1ncc(C)cc1[N+](=O)[O-] ZINC000175141933 144058916 /nfs/dbraw/zinc/05/89/16/144058916.db2.gz BZEQGGJIBPVAIX-UHFFFAOYSA-N 0 0 325.324 3.350 10 5 EGBERN O=C(NCc1ncc(-c2ccccc2)cn1)c1csc([N+](=O)[O-])c1 ZINC000183904612 144081326 /nfs/dbraw/zinc/08/13/26/144081326.db2.gz UHLDPSFXBCXXHM-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN Cn1cc(-c2cc(CNc3ccc(Cl)c([N+](=O)[O-])c3)on2)cn1 ZINC000183984076 144083503 /nfs/dbraw/zinc/08/35/03/144083503.db2.gz KYHSMXHDMFGSLL-UHFFFAOYSA-N 0 0 333.735 3.249 10 5 EGBERN COc1ccc(C(=O)NCc2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000184549849 144094785 /nfs/dbraw/zinc/09/47/85/144094785.db2.gz NAPFXSGIRMGEIO-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN COc1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000187458130 144159213 /nfs/dbraw/zinc/15/92/13/144159213.db2.gz RGVDLIGLEIPWTD-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C3CC3)cc2)n1 ZINC000343202509 144193598 /nfs/dbraw/zinc/19/35/98/144193598.db2.gz FEPVZAXFLATTSI-UHFFFAOYSA-N 0 0 327.340 3.266 10 5 EGBERN COc1cc(CSc2nnc(-c3ccco3)n2C)ccc1[N+](=O)[O-] ZINC000351828154 144312606 /nfs/dbraw/zinc/31/26/06/144312606.db2.gz VAHCTMLDYQBCHI-UHFFFAOYSA-N 0 0 346.368 3.284 10 5 EGBERN CCOC(=O)c1cccnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351827066 144312715 /nfs/dbraw/zinc/31/27/15/144312715.db2.gz FJPGNSFSTDNAKC-UHFFFAOYSA-N 0 0 348.380 3.467 10 5 EGBERN COc1cc(COc2ccccc2-c2nnco2)ccc1[N+](=O)[O-] ZINC000351883670 144320261 /nfs/dbraw/zinc/32/02/61/144320261.db2.gz ARABQQDTRWGBNP-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN COc1cccc(NC2CCC(c3nc(C)no3)CC2)c1[N+](=O)[O-] ZINC000364280162 144395245 /nfs/dbraw/zinc/39/52/45/144395245.db2.gz PQOPBCPVDDCYEF-UHFFFAOYSA-N 0 0 332.360 3.433 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cn1 ZINC000374645187 144552299 /nfs/dbraw/zinc/55/22/99/144552299.db2.gz ILMOOLJWKCVMTN-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCNc1ccnc2cc(F)cnc21 ZINC000341396638 155267261 /nfs/dbraw/zinc/26/72/61/155267261.db2.gz YMPJFNWTUSISIM-UHFFFAOYSA-N 0 0 327.319 3.201 10 5 EGBERN CC(C)Oc1ncccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341487505 155319740 /nfs/dbraw/zinc/31/97/40/155319740.db2.gz XZBAGOOWOHXLMF-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000117619162 152107935 /nfs/dbraw/zinc/10/79/35/152107935.db2.gz HESIWKHNQDXQGO-BWACUDIHSA-N 0 0 326.352 3.337 10 5 EGBERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000117619166 152108567 /nfs/dbraw/zinc/10/85/67/152108567.db2.gz HESIWKHNQDXQGO-NVGCLXPQSA-N 0 0 326.352 3.337 10 5 EGBERN Cc1sc(C(=O)NCc2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000120637034 152288822 /nfs/dbraw/zinc/28/88/22/152288822.db2.gz DRCFIOOFRJNMKJ-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000153428032 152537226 /nfs/dbraw/zinc/53/72/26/152537226.db2.gz GXSKUXXIQUSOSB-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000156703553 152679808 /nfs/dbraw/zinc/67/98/08/152679808.db2.gz XTELONABEJWPKJ-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000174511347 152865869 /nfs/dbraw/zinc/86/58/69/152865869.db2.gz WNPDGNGKQHPZOM-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)c1 ZINC000190306923 153130393 /nfs/dbraw/zinc/13/03/93/153130393.db2.gz MZNMXHJPXRTOAQ-LBPRGKRZSA-N 0 0 335.385 3.410 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H]2c2ccco2)cc([N+](=O)[O-])c1C ZINC000191861272 153225454 /nfs/dbraw/zinc/22/54/54/153225454.db2.gz DPNXCQJNVDWPRY-ZDUSSCGKSA-N 0 0 330.340 3.482 10 5 EGBERN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000192869081 153263628 /nfs/dbraw/zinc/26/36/28/153263628.db2.gz ZNXYUZZYSVPMEF-KRWDZBQOSA-N 0 0 341.367 3.284 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000193500629 153292968 /nfs/dbraw/zinc/29/29/68/153292968.db2.gz XVZBRVYCJIMGHK-MRXNPFEDSA-N 0 0 329.331 3.415 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000193500645 153293378 /nfs/dbraw/zinc/29/33/78/153293378.db2.gz XVZBRVYCJIMGHK-INIZCTEOSA-N 0 0 329.331 3.415 10 5 EGBERN CSc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000194861655 153363224 /nfs/dbraw/zinc/36/32/24/153363224.db2.gz FZMUJSIWYBOPGZ-GFCCVEGCSA-N 0 0 330.365 3.180 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000195104193 153381037 /nfs/dbraw/zinc/38/10/37/153381037.db2.gz CLEUNXRCYSDOCV-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN C[C@H](c1ccncc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341632587 155392045 /nfs/dbraw/zinc/39/20/45/155392045.db2.gz IFVPTEAWUFVVQD-SNVBAGLBSA-N 0 0 335.310 3.030 10 5 EGBERN CCNc1ccc(C(=O)N(CC)c2ncccc2C)cc1[N+](=O)[O-] ZINC000341634893 155392155 /nfs/dbraw/zinc/39/21/55/155392155.db2.gz JPJYNUQSZKXQDM-UHFFFAOYSA-N 0 0 328.372 3.397 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000305714311 154108183 /nfs/dbraw/zinc/10/81/83/154108183.db2.gz LONFBAYOWCHRTN-GOSISDBHSA-N 0 0 345.399 3.060 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1C(F)F ZINC000337280972 154257749 /nfs/dbraw/zinc/25/77/49/154257749.db2.gz IYMINKWNIMGRRG-CQSZACIVSA-N 0 0 337.326 3.265 10 5 EGBERN CC(C)c1cccnc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000337434063 154351243 /nfs/dbraw/zinc/35/12/43/154351243.db2.gz BOMRQNUZGQPSHO-UHFFFAOYSA-N 0 0 328.372 3.188 10 5 EGBERN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccncc1[N+](=O)[O-] ZINC000340164843 155118890 /nfs/dbraw/zinc/11/88/90/155118890.db2.gz UKECKLVOKJTMET-UHFFFAOYSA-N 0 0 337.383 3.449 10 5 EGBERN Cc1c(Cc2noc(-c3cnc4cnccc4c3)n2)cccc1[N+](=O)[O-] ZINC000346867233 156170868 /nfs/dbraw/zinc/17/08/68/156170868.db2.gz IZWDVZXFSGUNSG-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN Cc1ncsc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348877173 156272951 /nfs/dbraw/zinc/27/29/51/156272951.db2.gz NYVSGBSDDKUPOJ-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc2c(cn1)CCCC2 ZINC000362227748 157087023 /nfs/dbraw/zinc/08/70/23/157087023.db2.gz COJKTYCMSMLJLN-UHFFFAOYSA-N 0 0 347.321 3.328 10 5 EGBERN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244764 161562176 /nfs/dbraw/zinc/56/21/76/161562176.db2.gz ZNLIDLIQICUBOK-VIFPVBQESA-N 0 0 344.389 3.177 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2ncon2)c1 ZINC000087239919 161864131 /nfs/dbraw/zinc/86/41/31/161864131.db2.gz YXNKZDFUNSTIQP-UHFFFAOYSA-N 0 0 338.323 3.216 10 5 EGBERN CCOc1ccc(C(=O)NCCc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000108316357 162077296 /nfs/dbraw/zinc/07/72/96/162077296.db2.gz WCNNQBOMVCLXQI-UHFFFAOYSA-N 0 0 349.412 3.039 10 5 EGBERN CCc1[nH]nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000109894978 162113846 /nfs/dbraw/zinc/11/38/46/162113846.db2.gz VOGMBGMFNXYUTL-UHFFFAOYSA-N 0 0 343.387 3.041 10 5 EGBERN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccccc1F ZINC000113775320 162216835 /nfs/dbraw/zinc/21/68/35/162216835.db2.gz GZUPWVZDRRMWHC-UHFFFAOYSA-N 0 0 340.314 3.236 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438024 162232406 /nfs/dbraw/zinc/23/24/06/162232406.db2.gz ANZZQJWWCFMPNR-GOSISDBHSA-N 0 0 340.383 3.434 10 5 EGBERN C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000126338493 162300613 /nfs/dbraw/zinc/30/06/13/162300613.db2.gz FKDWAQSCTANDAC-CABZTGNLSA-N 0 0 348.305 3.168 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126494838 162306216 /nfs/dbraw/zinc/30/62/16/162306216.db2.gz FTALGVCSXKYHIJ-MRXNPFEDSA-N 0 0 334.397 3.109 10 5 EGBERN CCC[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCCCC1 ZINC000336949084 163092063 /nfs/dbraw/zinc/09/20/63/163092063.db2.gz RGHRJCFRRHIWBB-HNNXBMFYSA-N 0 0 336.436 3.355 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000337046477 163114803 /nfs/dbraw/zinc/11/48/03/163114803.db2.gz LLNNNVQZFPKVMY-GOEBONIOSA-N 0 0 342.399 3.016 10 5 EGBERN C[C@@H](NC(=O)c1cc2ccccc2c(=O)o1)c1ccccc1[N+](=O)[O-] ZINC000337117671 163133014 /nfs/dbraw/zinc/13/30/14/163133014.db2.gz ARIDSCZVQSKGMM-LLVKDONJSA-N 0 0 338.319 3.192 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000337238861 163174498 /nfs/dbraw/zinc/17/44/98/163174498.db2.gz DKMLWFMXVMMKIB-UHFFFAOYSA-N 0 0 348.790 3.266 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000337254200 163181620 /nfs/dbraw/zinc/18/16/20/163181620.db2.gz PWZMYZYIRLBKFV-ZANVPECISA-N 0 0 330.306 3.484 10 5 EGBERN Cc1cc(NCCCN2CCCC2=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338632440 163297398 /nfs/dbraw/zinc/29/73/98/163297398.db2.gz TUHDFPHYXSLTPL-UHFFFAOYSA-N 0 0 345.321 3.346 10 5 EGBERN CCOc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000338857461 163364639 /nfs/dbraw/zinc/36/46/39/163364639.db2.gz SKYQJHIISNOMMG-UHFFFAOYSA-N 0 0 339.351 3.405 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000346438494 287000189 /nfs/dbraw/zinc/00/01/89/287000189.db2.gz QZFBKHBXGPIBJU-CHWSQXEVSA-N 0 0 331.416 3.359 10 5 EGBERN CCc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)oc1CC ZINC000340348120 163555833 /nfs/dbraw/zinc/55/58/33/163555833.db2.gz AGSOQOWORATEPM-UHFFFAOYSA-N 0 0 328.328 3.441 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2noc(C3CC3)n2)c1 ZINC000340607897 163621485 /nfs/dbraw/zinc/62/14/85/163621485.db2.gz PWBPOPXDKXBHDV-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cccnc2)no1 ZINC000342108336 163788082 /nfs/dbraw/zinc/78/80/82/163788082.db2.gz UFOCPAQPMVBIPE-UHFFFAOYSA-N 0 0 346.730 3.315 10 5 EGBERN COc1ccccc1O[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000343909000 164063403 /nfs/dbraw/zinc/06/34/03/164063403.db2.gz JPPJULQLQNXCLC-CYBMUJFWSA-N 0 0 329.356 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccn1-c1ccccc1 ZINC000344316125 164154654 /nfs/dbraw/zinc/15/46/54/164154654.db2.gz ZBNUISFQNVXPEU-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CC(C)c1nnc(Sc2ccc([N+](=O)[O-])nc2)n1Cc1ccco1 ZINC000344421775 164175421 /nfs/dbraw/zinc/17/54/21/164175421.db2.gz BCVYSDYCEMYUOO-UHFFFAOYSA-N 0 0 345.384 3.497 10 5 EGBERN CCOc1ccc(-c2nc(Cc3csc(C)n3)no2)cc1[N+](=O)[O-] ZINC000345469387 164206457 /nfs/dbraw/zinc/20/64/57/164206457.db2.gz MXNNPEIBUFVYGX-UHFFFAOYSA-N 0 0 346.368 3.399 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(C)cc(C)c3)no2)n1 ZINC000345909622 164293048 /nfs/dbraw/zinc/29/30/48/164293048.db2.gz WCMDQEMLFQJQKI-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000346655249 164411167 /nfs/dbraw/zinc/41/11/67/164411167.db2.gz JUYWCGNXBPZYMO-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN Cc1ccc(/C=C/CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000349699693 164915815 /nfs/dbraw/zinc/91/58/15/164915815.db2.gz YGIDBBXDTLEUAM-NSCUHMNNSA-N 0 0 337.379 3.286 10 5 EGBERN COCC1(c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)CCCCC1 ZINC000350470002 165059587 /nfs/dbraw/zinc/05/95/87/165059587.db2.gz FGNXOAFJCWJDRR-UHFFFAOYSA-N 0 0 332.360 3.197 10 5 EGBERN Cc1ccc2[nH]c(CNc3nc4ccccc4cc3[N+](=O)[O-])nc2c1 ZINC000352357688 165361220 /nfs/dbraw/zinc/36/12/20/165361220.db2.gz SPXLHHHNHFCCHD-UHFFFAOYSA-N 0 0 333.351 3.362 10 5 EGBERN CCOC(=O)C1(CC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000352996818 165579983 /nfs/dbraw/zinc/57/99/83/165579983.db2.gz ZPISETULCOBJST-HNNXBMFYSA-N 0 0 348.399 3.286 10 5 EGBERN Nc1c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000353142163 165644602 /nfs/dbraw/zinc/64/46/02/165644602.db2.gz RQQTVAHDIGLANN-GFCCVEGCSA-N 0 0 345.786 3.460 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000355291595 166155466 /nfs/dbraw/zinc/15/54/66/166155466.db2.gz MVXMHYGTSORPFR-MRVPVSSYSA-N 0 0 345.218 3.439 10 5 EGBERN CCOC1CC(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000355933528 166352219 /nfs/dbraw/zinc/35/22/19/166352219.db2.gz NVKHOFSVBKYBHM-UHFFFAOYSA-N 0 0 340.807 3.492 10 5 EGBERN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000355956697 166359581 /nfs/dbraw/zinc/35/95/81/166359581.db2.gz XDRWMWQWXIDFDI-UHFFFAOYSA-N 0 0 332.356 3.303 10 5 EGBERN Cc1ccc(-c2noc(-c3ccc(N(C)C)nc3)n2)cc1[N+](=O)[O-] ZINC000355993891 166368961 /nfs/dbraw/zinc/36/89/61/166368961.db2.gz YHFLDDTVJPLTAQ-UHFFFAOYSA-N 0 0 325.328 3.081 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(C)on2)no1 ZINC000356889571 166527735 /nfs/dbraw/zinc/52/77/35/166527735.db2.gz AYXWHLFWLHCTAX-YFHOEESVSA-N 0 0 326.312 3.426 10 5 EGBERN C[C@H]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358024895 166818216 /nfs/dbraw/zinc/81/82/16/166818216.db2.gz IQZLYQHPAJVHTK-UWVGGRQHSA-N 0 0 328.315 3.362 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])C1(c2ccc(F)cc2)CC1 ZINC000358906972 167001376 /nfs/dbraw/zinc/00/13/76/167001376.db2.gz TXZXNTGTXDBDBG-UHFFFAOYSA-N 0 0 328.343 3.124 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000358909340 167002145 /nfs/dbraw/zinc/00/21/45/167002145.db2.gz WWLCZDZKQFDMMP-IAGOWNOFSA-N 0 0 340.379 3.066 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C2CC2)cc1F ZINC000358909197 167002483 /nfs/dbraw/zinc/00/24/83/167002483.db2.gz UWMIFSKUAQCVAK-UHFFFAOYSA-N 0 0 329.331 3.124 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000359014347 167037667 /nfs/dbraw/zinc/03/76/67/167037667.db2.gz YCBGVHWKWPREFK-NSHDSACASA-N 0 0 326.299 3.068 10 5 EGBERN CCCCN(Cc1ccccc1F)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359024664 167041662 /nfs/dbraw/zinc/04/16/62/167041662.db2.gz BNGZYNHDNMQZES-UHFFFAOYSA-N 0 0 346.362 3.385 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000359053701 167052789 /nfs/dbraw/zinc/05/27/89/167052789.db2.gz WWAOFOZWKVLYFC-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN COC(=O)c1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000359157288 167083930 /nfs/dbraw/zinc/08/39/30/167083930.db2.gz NDRWIJUNXPKJQB-XIKOKIGWSA-N 0 0 346.383 3.034 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359206358 167095397 /nfs/dbraw/zinc/09/53/97/167095397.db2.gz YBHWCNFRBUTHOS-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000359221700 167099814 /nfs/dbraw/zinc/09/98/14/167099814.db2.gz XLMXRLJQVWBPRN-LBPRGKRZSA-N 0 0 327.331 3.280 10 5 EGBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C)c3=O)cs2)o1 ZINC000359459513 167162634 /nfs/dbraw/zinc/16/26/34/167162634.db2.gz SJPGVZQSYNAOMQ-UHFFFAOYSA-N 0 0 331.353 3.138 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000360395071 167319897 /nfs/dbraw/zinc/31/98/97/167319897.db2.gz NLJIOTQYQNSXDH-UONOGXRCSA-N 0 0 327.340 3.281 10 5 EGBERN CS[C@@H](C)CCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000360765378 167407314 /nfs/dbraw/zinc/40/73/14/167407314.db2.gz RZWRJJBPHPRYRG-NSHDSACASA-N 0 0 333.413 3.344 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000360987232 167473996 /nfs/dbraw/zinc/47/39/96/167473996.db2.gz YMKLRYYVYUJVDW-FIXISWKDSA-N 0 0 330.388 3.485 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1cccnc1 ZINC000361134345 167532743 /nfs/dbraw/zinc/53/27/43/167532743.db2.gz DWXRMUPNGPWEAA-INIZCTEOSA-N 0 0 347.321 3.174 10 5 EGBERN COc1ccc(-c2nc(-c3ncsc3Cl)no2)cc1[N+](=O)[O-] ZINC000361366234 167603992 /nfs/dbraw/zinc/60/39/92/167603992.db2.gz RGKWXNILJZNYIA-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000361875071 167681960 /nfs/dbraw/zinc/68/19/60/167681960.db2.gz XXIZJUVDFUWXFL-JTQLQIEISA-N 0 0 335.310 3.247 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000365957405 168064703 /nfs/dbraw/zinc/06/47/03/168064703.db2.gz WYKIZCYKAHBOKO-DZGCQCFKSA-N 0 0 325.368 3.316 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000367178520 168189395 /nfs/dbraw/zinc/18/93/95/168189395.db2.gz JQTHYSVNKGNMND-GOSISDBHSA-N 0 0 344.342 3.071 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCOC2 ZINC000367424737 168223648 /nfs/dbraw/zinc/22/36/48/168223648.db2.gz VTXIZXPLJFXBJY-OAHLLOKOSA-N 0 0 339.779 3.283 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000367436666 168225167 /nfs/dbraw/zinc/22/51/67/168225167.db2.gz GYNCLOBFBLZOGR-MRXNPFEDSA-N 0 0 342.342 3.199 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000367993694 168294131 /nfs/dbraw/zinc/29/41/31/168294131.db2.gz ZVNXKIBVDAZIIS-AWEZNQCLSA-N 0 0 331.397 3.096 10 5 EGBERN Cc1c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368064408 168306288 /nfs/dbraw/zinc/30/62/88/168306288.db2.gz TXOZNLWCFOQYBH-APPDUMDISA-N 0 0 347.371 3.464 10 5 EGBERN C[C@@H]1CCCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000408407873 287366454 /nfs/dbraw/zinc/36/64/54/287366454.db2.gz WVGKWYLMVMILGC-ZIAGYGMSSA-N 0 0 331.416 3.456 10 5 EGBERN COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000110567993 264744972 /nfs/dbraw/zinc/74/49/72/264744972.db2.gz BLDDKJFPDWKLFH-GTNSWQLSSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000173107831 264961118 /nfs/dbraw/zinc/96/11/18/264961118.db2.gz CPDNUIREBPIFJA-KRWDZBQOSA-N 0 0 345.374 3.434 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000174038009 265019363 /nfs/dbraw/zinc/01/93/63/265019363.db2.gz JPPPVTHBGWKYAB-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN CSc1ccc(C(=O)NC[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000174468950 265052032 /nfs/dbraw/zinc/05/20/32/265052032.db2.gz IIHAWEWJUZCPAL-INIZCTEOSA-N 0 0 340.445 3.234 10 5 EGBERN CC[C@@H](NC(=O)NCCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000175701394 265130797 /nfs/dbraw/zinc/13/07/97/265130797.db2.gz YBTGMYRPSOFQNU-MRXNPFEDSA-N 0 0 345.403 3.009 10 5 EGBERN CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000177791776 265278819 /nfs/dbraw/zinc/27/88/19/265278819.db2.gz MDHBEMQJRFTSBD-HNNXBMFYSA-N 0 0 330.388 3.427 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000177862276 265281998 /nfs/dbraw/zinc/28/19/98/265281998.db2.gz GTXHZBWICDSZCF-UONOGXRCSA-N 0 0 330.388 3.155 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000178679330 265335455 /nfs/dbraw/zinc/33/54/55/265335455.db2.gz CPFOTWAANVFEQM-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccs1 ZINC000179131827 265362789 /nfs/dbraw/zinc/36/27/89/265362789.db2.gz LYFRMAOTXRCYJN-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN COC(=O)c1ccccc1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000183997453 265451661 /nfs/dbraw/zinc/45/16/61/265451661.db2.gz BVHNBSJXVJIQIL-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187312465 265590863 /nfs/dbraw/zinc/59/08/63/265590863.db2.gz QUPJJQBWISGQJN-AAEUAGOBSA-N 0 0 338.429 3.149 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000188201072 265661022 /nfs/dbraw/zinc/66/10/22/265661022.db2.gz PZQQQQWHIHIWPW-MRXNPFEDSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000189943863 265806997 /nfs/dbraw/zinc/80/69/97/265806997.db2.gz QHYVCCDOPXSJDB-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN COc1cc(OC)cc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000190079602 265817131 /nfs/dbraw/zinc/81/71/31/265817131.db2.gz XNOLEMKOMMUEPF-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000193475626 266036173 /nfs/dbraw/zinc/03/61/73/266036173.db2.gz RUEXVNGOFFZYJC-UHFFFAOYSA-N 0 0 331.353 3.185 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C ZINC000193482273 266037232 /nfs/dbraw/zinc/03/72/32/266037232.db2.gz YZSIAQKHZWJGKS-UHFFFAOYSA-N 0 0 345.380 3.494 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000195463006 266182654 /nfs/dbraw/zinc/18/26/54/266182654.db2.gz JLSAWSZMMRVSFV-UHFFFAOYSA-N 0 0 343.358 3.289 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195520438 266186939 /nfs/dbraw/zinc/18/69/39/266186939.db2.gz STMSOQPLRVOWOQ-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000266183852 266274323 /nfs/dbraw/zinc/27/43/23/266274323.db2.gz AGFNVBWABLLQKN-MLGOLLRUSA-N 0 0 331.347 3.404 10 5 EGBERN CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000271076255 266599155 /nfs/dbraw/zinc/59/91/55/266599155.db2.gz RXVCWRWDJWSIPL-BBRMVZONSA-N 0 0 346.774 3.027 10 5 EGBERN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000273111032 266977955 /nfs/dbraw/zinc/97/79/55/266977955.db2.gz GGJRDBCIHBPABT-ZDUSSCGKSA-N 0 0 336.388 3.083 10 5 EGBERN CCC[C@](C)(NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000273907572 267139657 /nfs/dbraw/zinc/13/96/57/267139657.db2.gz AJTIBIDNDOBSKQ-HNNXBMFYSA-N 0 0 342.779 3.018 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000274365180 267224823 /nfs/dbraw/zinc/22/48/23/267224823.db2.gz JKNODNIICOMIRR-VBNZEHGJSA-N 0 0 349.431 3.094 10 5 EGBERN C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCC1=O ZINC000275451434 267363547 /nfs/dbraw/zinc/36/35/47/267363547.db2.gz XUKBONBVZPTQQN-ZDUSSCGKSA-N 0 0 338.363 3.241 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000277982315 267917734 /nfs/dbraw/zinc/91/77/34/267917734.db2.gz ABDRVMPXEAHZLL-CQSZACIVSA-N 0 0 340.807 3.084 10 5 EGBERN CC(C)(C)OCc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000278391255 268001834 /nfs/dbraw/zinc/00/18/34/268001834.db2.gz FUSGKBCCNXBFFC-UHFFFAOYSA-N 0 0 345.359 3.386 10 5 EGBERN CO[C@@H](C)c1nc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000278436224 268012307 /nfs/dbraw/zinc/01/23/07/268012307.db2.gz JYCLAGPMBYTYDN-QMMMGPOBSA-N 0 0 333.373 3.247 10 5 EGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000339112728 274066077 /nfs/dbraw/zinc/06/60/77/274066077.db2.gz SCXKBACBFWJELH-QMTHXVAHSA-N 0 0 332.322 3.470 10 5 EGBERN O=C1CCc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)ccc2N1 ZINC000357052461 275018540 /nfs/dbraw/zinc/01/85/40/275018540.db2.gz NRXMXZCBTYRAPA-UHFFFAOYSA-N 0 0 336.307 3.197 10 5 EGBERN CCNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000044688101 275132220 /nfs/dbraw/zinc/13/22/20/275132220.db2.gz QKLLRPUGBBDWCR-UHFFFAOYSA-N 0 0 347.396 3.275 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000183862517 275211068 /nfs/dbraw/zinc/21/10/68/275211068.db2.gz YGUPWDAGRLSRJD-UHFFFAOYSA-N 0 0 342.323 3.011 10 5 EGBERN COc1ccc(CC[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194938404 275230831 /nfs/dbraw/zinc/23/08/31/275230831.db2.gz PUCNACTVPHOSPO-LBPRGKRZSA-N 0 0 343.383 3.058 10 5 EGBERN CC(C)(C)SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000280442825 275451486 /nfs/dbraw/zinc/45/14/86/275451486.db2.gz KDSPBRHABDHPEU-UHFFFAOYSA-N 0 0 340.401 3.226 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCCS2)cc(Br)cc1[N+](=O)[O-] ZINC000280495304 275457189 /nfs/dbraw/zinc/45/71/89/275457189.db2.gz DHGNTKIZRSCARW-NSHDSACASA-N 0 0 345.218 3.500 10 5 EGBERN O=C(c1ccoc1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000281329096 275540658 /nfs/dbraw/zinc/54/06/58/275540658.db2.gz VRALJTFYUXCNJM-UHFFFAOYSA-N 0 0 341.367 3.028 10 5 EGBERN Cc1sc(C(=O)NC[C@H](O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000283005788 275690281 /nfs/dbraw/zinc/69/02/81/275690281.db2.gz FYTRNNGIRBKQSV-AWEZNQCLSA-N 0 0 334.397 3.045 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338490775 275884696 /nfs/dbraw/zinc/88/46/96/275884696.db2.gz FRBXXCKVKMCLNC-GFCCVEGCSA-N 0 0 349.437 3.342 10 5 EGBERN O=C(NC1(CCO)CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000286233449 275967741 /nfs/dbraw/zinc/96/77/41/275967741.db2.gz XZGHATLEHFYTAP-UHFFFAOYSA-N 0 0 346.305 3.039 10 5 EGBERN CCC(=O)c1ccc(N2CCOC[C@@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000286576547 276018792 /nfs/dbraw/zinc/01/87/92/276018792.db2.gz QTPJPJNMGJUVMG-NSHDSACASA-N 0 0 328.315 3.048 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NCc1cccc(N2CCOCC2)n1 ZINC000287009122 276070412 /nfs/dbraw/zinc/07/04/12/276070412.db2.gz UXFOTRBYQJMTBW-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000289284621 276316295 /nfs/dbraw/zinc/31/62/95/276316295.db2.gz GANIWHZXNSEUSH-NSHDSACASA-N 0 0 327.344 3.181 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1(CCO)CCCC1 ZINC000289677993 276376687 /nfs/dbraw/zinc/37/66/87/276376687.db2.gz NAINLRBMNHYFBZ-UHFFFAOYSA-N 0 0 327.768 3.065 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1cccc([N+](=O)[O-])c1C ZINC000289724444 276384016 /nfs/dbraw/zinc/38/40/16/276384016.db2.gz JUQORSOOPOZDFY-KRWDZBQOSA-N 0 0 345.351 3.343 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@](C)(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000366544991 277152366 /nfs/dbraw/zinc/15/23/66/277152366.db2.gz UJINTWFPUYIERV-QGZVFWFLSA-N 0 0 336.388 3.085 10 5 EGBERN CO[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362365080 277660293 /nfs/dbraw/zinc/66/02/93/277660293.db2.gz MOGZLANNVWVBBG-ZIAGYGMSSA-N 0 0 331.347 3.197 10 5 EGBERN CO[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362365079 277661319 /nfs/dbraw/zinc/66/13/19/277661319.db2.gz MOGZLANNVWVBBG-UONOGXRCSA-N 0 0 331.347 3.197 10 5 EGBERN CC(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000093611916 278036795 /nfs/dbraw/zinc/03/67/95/278036795.db2.gz LZQFCCUCBKWRHU-CQSZACIVSA-N 0 0 332.322 3.217 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](C)C2 ZINC000183168486 278890005 /nfs/dbraw/zinc/89/00/05/278890005.db2.gz CCZFZCFDTYVTIC-PIGZYNQJSA-N 0 0 325.368 3.149 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1Cc2ccccc2[C@@H]1C ZINC000361061539 278932601 /nfs/dbraw/zinc/93/26/01/278932601.db2.gz HVMDWGKVVYFLPA-ZDUSSCGKSA-N 0 0 325.368 3.419 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2C1(C)C ZINC000358973632 279158132 /nfs/dbraw/zinc/15/81/32/279158132.db2.gz HUXQBVHFZWZLNH-UHFFFAOYSA-N 0 0 325.368 3.232 10 5 EGBERN CCc1n[nH]c(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000342721035 281363166 /nfs/dbraw/zinc/36/31/66/281363166.db2.gz DEMRFNMAAVXFKA-DOMZBBRYSA-N 0 0 342.399 3.494 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000374783996 302620805 /nfs/dbraw/zinc/62/08/05/302620805.db2.gz RQXOLNKBWVOHEX-HNNXBMFYSA-N 0 0 344.371 3.352 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000173573915 302970115 /nfs/dbraw/zinc/97/01/15/302970115.db2.gz LQKVKIMGQRXEDI-INIZCTEOSA-N 0 0 331.347 3.440 10 5 EGBERN COc1cc(NC[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000413537789 309036291 /nfs/dbraw/zinc/03/62/91/309036291.db2.gz HJIUUAXICMNUJS-NSHDSACASA-N 0 0 338.310 3.070 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000053197558 307335184 /nfs/dbraw/zinc/33/51/84/307335184.db2.gz VCHLRBBHSVFESF-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000054646447 307338723 /nfs/dbraw/zinc/33/87/23/307338723.db2.gz FUPSCGKQZOJXAE-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000055738078 307341436 /nfs/dbraw/zinc/34/14/36/307341436.db2.gz FTFBUPKCHNANSX-HNNXBMFYSA-N 0 0 331.759 3.369 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056740796 307344250 /nfs/dbraw/zinc/34/42/50/307344250.db2.gz PRDCXBBONMTSRA-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN CC(C)N(CC(=O)NC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350483 307356934 /nfs/dbraw/zinc/35/69/34/307356934.db2.gz QZRCGEKGTHKBGR-UHFFFAOYSA-N 0 0 333.432 3.254 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CS1 ZINC000413944838 309053576 /nfs/dbraw/zinc/05/35/76/309053576.db2.gz FFKKEBIZCZFJET-JGVFFNPUSA-N 0 0 334.319 3.237 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)o1 ZINC000128872245 307606979 /nfs/dbraw/zinc/60/69/79/307606979.db2.gz RIPAEGYEACGBNV-LBPRGKRZSA-N 0 0 340.339 3.173 10 5 EGBERN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000129737043 307618866 /nfs/dbraw/zinc/61/88/66/307618866.db2.gz RTVUASMHBOAQHI-UHFFFAOYSA-N 0 0 328.372 3.233 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132413359 307657588 /nfs/dbraw/zinc/65/75/88/307657588.db2.gz IPJSZVNZGORPIY-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN CCc1ccc([C@H](N[C@@H]2CCC[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414133068 309062631 /nfs/dbraw/zinc/06/26/31/309062631.db2.gz ATCJAJNRYOYNAL-JFIYKMOQSA-N 0 0 330.384 3.343 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000135150333 307698580 /nfs/dbraw/zinc/69/85/80/307698580.db2.gz GJESHXFCOMUKGE-YVEFUNNKSA-N 0 0 341.367 3.451 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153216287 307768463 /nfs/dbraw/zinc/76/84/63/307768463.db2.gz DMSJVIXUIVWPAH-QGZVFWFLSA-N 0 0 344.342 3.307 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cc(F)ccc21 ZINC000153320185 307770734 /nfs/dbraw/zinc/77/07/34/307770734.db2.gz QDSXYWUARIYUQU-MRXNPFEDSA-N 0 0 328.343 3.470 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1noc(-c3ccccc3)n1)C2 ZINC000153351948 307771200 /nfs/dbraw/zinc/77/12/00/307771200.db2.gz AOSPYENZDVFRHP-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN C[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153380202 307771796 /nfs/dbraw/zinc/77/17/96/307771796.db2.gz ASCRABAUMADVBH-CYBMUJFWSA-N 0 0 346.408 3.044 10 5 EGBERN COc1ccc(C(=O)Nc2cccc(C)c2C(C)=O)cc1[N+](=O)[O-] ZINC000157775295 307850368 /nfs/dbraw/zinc/85/03/68/307850368.db2.gz YLLFQBHYNKVQBQ-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN O=C(Nc1cc(F)cc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000157882397 307851668 /nfs/dbraw/zinc/85/16/68/307851668.db2.gz QOVBXRVNSCJCDN-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000158116721 307855139 /nfs/dbraw/zinc/85/51/39/307855139.db2.gz RWBXZCZDKNQFSO-UHFFFAOYSA-N 0 0 334.759 3.116 10 5 EGBERN COc1cc(C)cc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000162378244 307912491 /nfs/dbraw/zinc/91/24/91/307912491.db2.gz BNBLRFUYKFGETE-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000255497789 308051853 /nfs/dbraw/zinc/05/18/53/308051853.db2.gz CSVDZRAGRDJOKM-DAXSKMNVSA-N 0 0 348.362 3.224 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])CCC2 ZINC000293575102 308142959 /nfs/dbraw/zinc/14/29/59/308142959.db2.gz APSKQKYLDKVWBO-OAHLLOKOSA-N 0 0 326.352 3.416 10 5 EGBERN CC[C@H](NC(=O)Cc1cnccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000293809148 308163891 /nfs/dbraw/zinc/16/38/91/308163891.db2.gz UEQVNABYAJXUSY-HNNXBMFYSA-N 0 0 333.775 3.453 10 5 EGBERN CCc1noc(C)c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000294067556 308187266 /nfs/dbraw/zinc/18/72/66/308187266.db2.gz RAHZLEMQNUOEFY-UHFFFAOYSA-N 0 0 349.362 3.187 10 5 EGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294505853 308227272 /nfs/dbraw/zinc/22/72/72/308227272.db2.gz DDAGUBREIBGUDJ-ZDUSSCGKSA-N 0 0 348.355 3.001 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000294679205 308245230 /nfs/dbraw/zinc/24/52/30/308245230.db2.gz TYCZIXBEJVNRCV-BBRMVZONSA-N 0 0 326.352 3.137 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCC3(CCC(O)CC3)CC1)CCN2 ZINC000294946385 308274965 /nfs/dbraw/zinc/27/49/65/308274965.db2.gz MBCLJTSLVNIGSA-UHFFFAOYSA-N 0 0 331.416 3.084 10 5 EGBERN Cc1c(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1C1CCOCC1 ZINC000294996476 308279748 /nfs/dbraw/zinc/27/97/48/308279748.db2.gz RGASRQWAGBBDLN-UHFFFAOYSA-N 0 0 342.359 3.071 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000294996784 308279842 /nfs/dbraw/zinc/27/98/42/308279842.db2.gz UOTRMJBMNYEDGH-TVQRCGJNSA-N 0 0 346.305 3.111 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc(O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295262059 308308512 /nfs/dbraw/zinc/30/85/12/308308512.db2.gz KXVMTRBRRSONJE-OAHLLOKOSA-N 0 0 344.367 3.119 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000296093294 308392805 /nfs/dbraw/zinc/39/28/05/308392805.db2.gz MHOANIJFNVYJCS-MNOVXSKESA-N 0 0 346.305 3.163 10 5 EGBERN COC[C@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296793940 308467978 /nfs/dbraw/zinc/46/79/78/308467978.db2.gz WJQLHHCUANCOCJ-GUYCJALGSA-N 0 0 343.383 3.343 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000296828764 308471470 /nfs/dbraw/zinc/47/14/70/308471470.db2.gz HJXXDOGRKZVWTE-VHSXEESVSA-N 0 0 345.321 3.288 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000297021094 308490804 /nfs/dbraw/zinc/49/08/04/308490804.db2.gz SXIDLBSDUNKNPQ-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2ccccc2)CC1 ZINC000301144516 308689687 /nfs/dbraw/zinc/68/96/87/308689687.db2.gz IQLZILBVWOTAMV-HNNXBMFYSA-N 0 0 339.395 3.468 10 5 EGBERN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCCN1c1ccccc1 ZINC000301260099 308693954 /nfs/dbraw/zinc/69/39/54/308693954.db2.gz FWKVFMAHPKNAEA-CQSZACIVSA-N 0 0 346.774 3.251 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301268595 308694229 /nfs/dbraw/zinc/69/42/29/308694229.db2.gz XFBUBTHXFBTHHL-UHFFFAOYSA-N 0 0 325.340 3.155 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(-c2cccnc2)cc1 ZINC000301463220 308701291 /nfs/dbraw/zinc/70/12/91/308701291.db2.gz FTYUPXZLENHDEZ-NSHDSACASA-N 0 0 336.355 3.202 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(-c2cccnc2)cc1 ZINC000301463218 308701365 /nfs/dbraw/zinc/70/13/65/308701365.db2.gz FTYUPXZLENHDEZ-LLVKDONJSA-N 0 0 336.355 3.202 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301629691 308708221 /nfs/dbraw/zinc/70/82/21/308708221.db2.gz SEOWHTSYLUTEQY-JTQLQIEISA-N 0 0 336.754 3.473 10 5 EGBERN CO[C@H]1CCC[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000301771566 308714700 /nfs/dbraw/zinc/71/47/00/308714700.db2.gz JRQXMQSEMZSXJY-KGLIPLIRSA-N 0 0 335.404 3.103 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000301816817 308716631 /nfs/dbraw/zinc/71/66/31/308716631.db2.gz JQHJCKFKGGKZFG-WQVCFCJDSA-N 0 0 346.383 3.059 10 5 EGBERN COC(=O)c1cc(N2CCc3cc(F)ccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301932056 308722202 /nfs/dbraw/zinc/72/22/02/308722202.db2.gz OYMHSQZYJQBYLF-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN CCOc1cc(N[C@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000301947390 308722751 /nfs/dbraw/zinc/72/27/51/308722751.db2.gz DDJIOHXWNNPAJT-LLVKDONJSA-N 0 0 331.376 3.094 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(Sc4ccccc4)CC3)nn21 ZINC000301952952 308722933 /nfs/dbraw/zinc/72/29/33/308722933.db2.gz CMXIMJDKXQLEIF-UHFFFAOYSA-N 0 0 341.396 3.374 10 5 EGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1Cl ZINC000302004399 308724918 /nfs/dbraw/zinc/72/49/18/308724918.db2.gz SAAZPGKWHZHDEQ-SNVBAGLBSA-N 0 0 347.762 3.170 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(F)cc(OC)c2)c1 ZINC000302133258 308730211 /nfs/dbraw/zinc/73/02/11/308730211.db2.gz CKVBWMOQVYHXMJ-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)ccc1Cl ZINC000302140480 308730462 /nfs/dbraw/zinc/73/04/62/308730462.db2.gz ORYRSZLXALCTNZ-UHFFFAOYSA-N 0 0 347.758 3.500 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C3CCOCC3)CC2)c1 ZINC000302215214 308733715 /nfs/dbraw/zinc/73/37/15/308733715.db2.gz ZWGNWRPRRPRJPZ-UHFFFAOYSA-N 0 0 348.399 3.024 10 5 EGBERN Cc1cccc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000302507767 308738528 /nfs/dbraw/zinc/73/85/28/308738528.db2.gz RIPSKNQSTSNBLK-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN Cc1cccc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302514414 308738633 /nfs/dbraw/zinc/73/86/33/308738633.db2.gz URSDNUNNIOWENN-HNNXBMFYSA-N 0 0 331.416 3.496 10 5 EGBERN CC1CCN(C(=O)C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000302794253 308746094 /nfs/dbraw/zinc/74/60/94/308746094.db2.gz IHDBAPQPZOVKKI-UHFFFAOYSA-N 0 0 349.406 3.209 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000334010939 308873722 /nfs/dbraw/zinc/87/37/22/308873722.db2.gz WWDDTHDSCGLFIX-VXGBXAGGSA-N 0 0 335.404 3.439 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c(OC)c1 ZINC000410373288 308916732 /nfs/dbraw/zinc/91/67/32/308916732.db2.gz WRJLUWKJZADLNQ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(C)Oc1cc(C(=O)NCCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000411508256 308941764 /nfs/dbraw/zinc/94/17/64/308941764.db2.gz SALZZKXHXXPFBJ-UHFFFAOYSA-N 0 0 344.367 3.060 10 5 EGBERN CCOC(=O)CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413205373 309021316 /nfs/dbraw/zinc/02/13/16/309021316.db2.gz BBSYMUSJFFUXDX-QMMMGPOBSA-N 0 0 335.282 3.152 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC000455039799 310341618 /nfs/dbraw/zinc/34/16/18/310341618.db2.gz VUTYVKIQANBRHB-CQSZACIVSA-N 0 0 348.309 3.059 10 5 EGBERN Cc1cc(NC(=O)C(C)(C)CC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000415435061 309133333 /nfs/dbraw/zinc/13/33/33/309133333.db2.gz ARPCPKWGDSMJAE-UHFFFAOYSA-N 0 0 337.326 3.493 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000416356540 309169844 /nfs/dbraw/zinc/16/98/44/309169844.db2.gz FNMQCMPANDQBPN-LBPRGKRZSA-N 0 0 347.396 3.043 10 5 EGBERN Cc1ccc(S(=O)(=O)NC2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000416566836 309173784 /nfs/dbraw/zinc/17/37/84/309173784.db2.gz VJLPWYLLFWAMHQ-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416597786 309174553 /nfs/dbraw/zinc/17/45/53/309174553.db2.gz SISBGDUVENIJPJ-MLGOLLRUSA-N 0 0 332.381 3.199 10 5 EGBERN CC(C)[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000417429441 309205904 /nfs/dbraw/zinc/20/59/04/309205904.db2.gz VHLAZLQVDRSXEI-LBPRGKRZSA-N 0 0 333.310 3.023 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2nc3c(s2)CCC3)n1 ZINC000420479215 309287715 /nfs/dbraw/zinc/28/77/15/309287715.db2.gz ZRAGCWDWVHFORG-UHFFFAOYSA-N 0 0 328.353 3.181 10 5 EGBERN Cc1c(Cl)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1C ZINC000421331245 309318741 /nfs/dbraw/zinc/31/87/41/309318741.db2.gz SJFGZUZTDMCNMM-UHFFFAOYSA-N 0 0 334.807 3.455 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccc(F)cc1 ZINC000421514973 309328001 /nfs/dbraw/zinc/32/80/01/309328001.db2.gz WDNAKPZXURIBJR-INIZCTEOSA-N 0 0 346.358 3.468 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000421676192 309334147 /nfs/dbraw/zinc/33/41/47/309334147.db2.gz NQEGOVOPNPVPIO-QWRGUYRKSA-N 0 0 346.305 3.301 10 5 EGBERN Cn1cc([C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cn1 ZINC000425232231 309469410 /nfs/dbraw/zinc/46/94/10/309469410.db2.gz FIZRGHGURNYBQG-INIZCTEOSA-N 0 0 339.399 3.498 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1Oc1ccc([N+](=O)[O-])c(C)n1 ZINC000425280825 309471333 /nfs/dbraw/zinc/47/13/33/309471333.db2.gz YFWDXGNUIKZRIG-QHCPKHFHSA-N 0 0 336.369 3.145 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000425440358 309480435 /nfs/dbraw/zinc/48/04/35/309480435.db2.gz GOEOBIAKXSCRRU-OUAUKWLOSA-N 0 0 343.221 3.355 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](F)C1 ZINC000425472598 309481932 /nfs/dbraw/zinc/48/19/32/309481932.db2.gz JQBFPKMJFFOHEV-NWDGAFQWSA-N 0 0 332.335 3.247 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC ZINC000425608258 309487771 /nfs/dbraw/zinc/48/77/71/309487771.db2.gz MASMGEQBLPACDH-ZSBIGDGJSA-N 0 0 349.387 3.312 10 5 EGBERN COc1ccnc(N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000425624620 309488402 /nfs/dbraw/zinc/48/84/02/309488402.db2.gz VPNODEPYWTZNQQ-UHFFFAOYSA-N 0 0 347.346 3.078 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000428886996 309563773 /nfs/dbraw/zinc/56/37/73/309563773.db2.gz KHXMCJCPSDQLQQ-SECBINFHSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000431117511 309626163 /nfs/dbraw/zinc/62/61/63/309626163.db2.gz AUBBCSGCCZVPGE-ZWKOTPCHSA-N 0 0 337.379 3.219 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000431267938 309628654 /nfs/dbraw/zinc/62/86/54/309628654.db2.gz AUBBCSGCCZVPGE-MSOLQXFVSA-N 0 0 337.379 3.219 10 5 EGBERN COc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000432400627 309659759 /nfs/dbraw/zinc/65/97/59/309659759.db2.gz KGPVRQHUBGZNHE-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC(C)=C[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000432606170 309664395 /nfs/dbraw/zinc/66/43/95/309664395.db2.gz AINIDIDGTJPGGA-JTQLQIEISA-N 0 0 347.371 3.120 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000436007959 309744841 /nfs/dbraw/zinc/74/48/41/309744841.db2.gz OVMAHVSIAHQPPS-CQSZACIVSA-N 0 0 343.427 3.236 10 5 EGBERN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000437116438 309787032 /nfs/dbraw/zinc/78/70/32/309787032.db2.gz LIRZIZJEELQTIU-UONOGXRCSA-N 0 0 338.429 3.432 10 5 EGBERN Cn1c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000437435890 309792369 /nfs/dbraw/zinc/79/23/69/309792369.db2.gz RBMODJMMSWEHQM-AULYBMBSSA-N 0 0 333.775 3.263 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000438893018 309822087 /nfs/dbraw/zinc/82/20/87/309822087.db2.gz DWDOMLQLDBGZDD-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439919944 309842233 /nfs/dbraw/zinc/84/22/33/309842233.db2.gz LORLBGANCLJMAT-NWDGAFQWSA-N 0 0 338.791 3.137 10 5 EGBERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447684267 309985699 /nfs/dbraw/zinc/98/56/99/309985699.db2.gz YTILJRYWXDIOEX-UHFFFAOYSA-N 0 0 348.366 3.498 10 5 EGBERN Cc1ccc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449663242 310078530 /nfs/dbraw/zinc/07/85/30/310078530.db2.gz JFIGNHRIMPPBAY-GFCCVEGCSA-N 0 0 345.365 3.219 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)Oc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000450051164 310100735 /nfs/dbraw/zinc/10/07/35/310100735.db2.gz HZNUIDAZJXEYRQ-SWLSCSKDSA-N 0 0 329.356 3.025 10 5 EGBERN Cn1cc([C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000450380681 310119377 /nfs/dbraw/zinc/11/93/77/310119377.db2.gz RYMKMPNRHHUTTM-CQSZACIVSA-N 0 0 328.376 3.404 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000450420399 310121404 /nfs/dbraw/zinc/12/14/04/310121404.db2.gz CEOCVPFKHNZUEZ-HOCLYGCPSA-N 0 0 329.400 3.376 10 5 EGBERN CCc1nn(C)c(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000450535526 310128674 /nfs/dbraw/zinc/12/86/74/310128674.db2.gz NYOJBIQCLGXUOD-JOCQHMNTSA-N 0 0 344.419 3.121 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@]2(CCOC2)C1 ZINC000450871983 310147222 /nfs/dbraw/zinc/14/72/22/310147222.db2.gz APRHGEJAZAKPND-GOSISDBHSA-N 0 0 343.383 3.159 10 5 EGBERN COc1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000450929837 310150390 /nfs/dbraw/zinc/15/03/90/310150390.db2.gz KGALMNRJXFSCFS-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN CCC(C)(C)NC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560845 310186477 /nfs/dbraw/zinc/18/64/77/310186477.db2.gz IJBRZMZBGJXRJI-OAHLLOKOSA-N 0 0 333.432 3.079 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451589211 310188031 /nfs/dbraw/zinc/18/80/31/310188031.db2.gz UYBACRSHPZGMKM-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2O1 ZINC000451665868 310191818 /nfs/dbraw/zinc/19/18/18/310191818.db2.gz QTJCPCCJDFZDKY-ZDUSSCGKSA-N 0 0 340.379 3.233 10 5 EGBERN CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000451784569 310197134 /nfs/dbraw/zinc/19/71/34/310197134.db2.gz UNDFJFJTGDISJH-AWEZNQCLSA-N 0 0 328.434 3.229 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866425 310201132 /nfs/dbraw/zinc/20/11/32/310201132.db2.gz BJGGELKWBUVECE-CHWSQXEVSA-N 0 0 345.365 3.472 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCCCC1CCOCC1 ZINC000452207359 310218629 /nfs/dbraw/zinc/21/86/29/310218629.db2.gz HHPNLTPWFHLMLS-UHFFFAOYSA-N 0 0 338.429 3.010 10 5 EGBERN O=C(NCCCC1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452605900 310234437 /nfs/dbraw/zinc/23/44/37/310234437.db2.gz XWEOTPVKCXMHKI-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN CCC[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452709382 310238243 /nfs/dbraw/zinc/23/82/43/310238243.db2.gz SGOYXHBVVYNRTE-VIFPVBQESA-N 0 0 334.294 3.159 10 5 EGBERN Cc1ccccc1CCN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452753422 310240563 /nfs/dbraw/zinc/24/05/63/310240563.db2.gz JSWHIDCLUNGJNJ-UHFFFAOYSA-N 0 0 348.349 3.425 10 5 EGBERN Cc1cnc(CCCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)o1 ZINC000453154339 310261111 /nfs/dbraw/zinc/26/11/11/310261111.db2.gz RVNPDDARXROJIM-UHFFFAOYSA-N 0 0 342.355 3.349 10 5 EGBERN CC(C)COCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453228318 310265447 /nfs/dbraw/zinc/26/54/47/310265447.db2.gz BUXBHLLLMRCFLR-UHFFFAOYSA-N 0 0 346.387 3.218 10 5 EGBERN Cc1ccc(NC(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000454141917 310294312 /nfs/dbraw/zinc/29/43/12/310294312.db2.gz HLLXJMHIXMOKHE-OAHLLOKOSA-N 0 0 333.388 3.326 10 5 EGBERN COC(=O)c1cc(NC(=O)NC(C)(C)C2CCC2)c(C)c([N+](=O)[O-])c1 ZINC000455264676 310353029 /nfs/dbraw/zinc/35/30/29/310353029.db2.gz CXGKFZHFUFXFMX-UHFFFAOYSA-N 0 0 349.387 3.390 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000455425744 310359923 /nfs/dbraw/zinc/35/99/23/310359923.db2.gz YEDSTRWMHIUFEE-BXUZGUMPSA-N 0 0 335.404 3.175 10 5 EGBERN CCCc1ncc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000456533864 310410910 /nfs/dbraw/zinc/41/09/10/310410910.db2.gz NQXSJDMMAOFQPI-NSHDSACASA-N 0 0 349.412 3.332 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C(C)(C)C)C2)cc1OC ZINC000457325102 310448053 /nfs/dbraw/zinc/44/80/53/310448053.db2.gz GDMCORBTDGNNNJ-UHFFFAOYSA-N 0 0 336.388 3.120 10 5 EGBERN CC(C)(C)C1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000457334925 310448444 /nfs/dbraw/zinc/44/84/44/310448444.db2.gz XORTWGRUBDPCLM-UHFFFAOYSA-N 0 0 345.443 3.316 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000457844487 310475040 /nfs/dbraw/zinc/47/50/40/310475040.db2.gz DJVSAHKLWJHXIX-UONOGXRCSA-N 0 0 335.404 3.114 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000458611420 310512342 /nfs/dbraw/zinc/51/23/42/310512342.db2.gz DSRMZYSCFDIXPD-HIFRSBDPSA-N 0 0 349.431 3.144 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C)CC1 ZINC000460192287 310580685 /nfs/dbraw/zinc/58/06/85/310580685.db2.gz KBPSUFKYQCAMAG-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@H]1CCOC1 ZINC000461865112 310593117 /nfs/dbraw/zinc/59/31/17/310593117.db2.gz MNWCNYNVSIOEFA-HNNXBMFYSA-N 0 0 343.383 3.184 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000462450591 310600073 /nfs/dbraw/zinc/60/00/73/310600073.db2.gz ZHQSCLDDEXOYIP-UHFFFAOYSA-N 0 0 346.408 3.470 10 5 EGBERN C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC12CCCCC2 ZINC000462696163 310603939 /nfs/dbraw/zinc/60/39/39/310603939.db2.gz KQUKXRTWBZCHFH-CYBMUJFWSA-N 0 0 329.404 3.434 10 5 EGBERN CC[C@@]1(C)CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000467778558 310678062 /nfs/dbraw/zinc/67/80/62/310678062.db2.gz RICXYMQTCJERHI-AWEZNQCLSA-N 0 0 346.836 3.367 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCc1cccc(F)c1 ZINC000470953264 310731277 /nfs/dbraw/zinc/73/12/77/310731277.db2.gz MSGDEILWQASGFO-UHFFFAOYSA-N 0 0 346.358 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000475648535 310815155 /nfs/dbraw/zinc/81/51/55/310815155.db2.gz JCAYUPAELCWDNH-CABCVRRESA-N 0 0 347.415 3.492 10 5 EGBERN CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476640236 310832230 /nfs/dbraw/zinc/83/22/30/310832230.db2.gz ZAWASHDDENLJQD-ZANVPECISA-N 0 0 346.836 3.366 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2n[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000476795419 310834672 /nfs/dbraw/zinc/83/46/72/310834672.db2.gz PKXSFPKOKOLNKZ-UHFFFAOYSA-N 0 0 342.330 3.408 10 5 EGBERN Cc1ccc(S(=O)(=O)NC2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000476892240 310835881 /nfs/dbraw/zinc/83/58/81/310835881.db2.gz AEKNYIQLHZSRGX-UHFFFAOYSA-N 0 0 346.408 3.128 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN(C)c1ccccc1 ZINC000477203532 310841224 /nfs/dbraw/zinc/84/12/24/310841224.db2.gz IFGRYZLCCFLBGV-UHFFFAOYSA-N 0 0 347.802 3.423 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](C(F)(F)F)[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000480555476 310896615 /nfs/dbraw/zinc/89/66/15/310896615.db2.gz POFOBKNDVXQNQM-CABZTGNLSA-N 0 0 346.305 3.467 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)nn21 ZINC000481054359 310904840 /nfs/dbraw/zinc/90/48/40/310904840.db2.gz GWLJSCNMHZOGOK-AULYBMBSSA-N 0 0 343.774 3.071 10 5 EGBERN CCc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1F ZINC000487243277 311017708 /nfs/dbraw/zinc/01/77/08/311017708.db2.gz SEAMBDDIJYOVQD-UHFFFAOYSA-N 0 0 332.287 3.277 10 5 EGBERN O=c1cc[nH]c2cc(CNc3c4ccccc4ncc3[N+](=O)[O-])ccc12 ZINC000487766599 311037112 /nfs/dbraw/zinc/03/71/12/311037112.db2.gz ODHNSGIJIYSRQI-UHFFFAOYSA-N 0 0 346.346 3.019 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000487900760 311042072 /nfs/dbraw/zinc/04/20/72/311042072.db2.gz VLDRTIRGEOYEDH-ZBEGNZNMSA-N 0 0 344.415 3.316 10 5 EGBERN CS(=O)(=O)c1ccc(Oc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000487923322 311043028 /nfs/dbraw/zinc/04/30/28/311043028.db2.gz ZRHYNYURPFIYSE-UHFFFAOYSA-N 0 0 344.348 3.339 10 5 EGBERN COCc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccc1F ZINC000488078267 311050268 /nfs/dbraw/zinc/05/02/68/311050268.db2.gz QVQFVYADXJOHAB-UHFFFAOYSA-N 0 0 341.342 3.463 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000489271876 311097828 /nfs/dbraw/zinc/09/78/28/311097828.db2.gz SDGNQVZQBGELCE-UHFFFAOYSA-N 0 0 332.400 3.468 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000489990142 311128661 /nfs/dbraw/zinc/12/86/61/311128661.db2.gz IBCBKBOUBQTQMP-DZGCQCFKSA-N 0 0 342.399 3.138 10 5 EGBERN COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H](C)O2 ZINC000490097685 311132944 /nfs/dbraw/zinc/13/29/44/311132944.db2.gz ARJTYQIGGDXJHE-GFCCVEGCSA-N 0 0 344.367 3.400 10 5 EGBERN CC[C@H](C[C@H](C)CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000492936328 311309229 /nfs/dbraw/zinc/30/92/29/311309229.db2.gz IYPHQIIGQZZJLK-JGGQBBKZSA-N 0 0 337.420 3.142 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000494685666 311503062 /nfs/dbraw/zinc/50/30/62/311503062.db2.gz OLRHROWFXJJHRM-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN O=[N+]([O-])c1ccc(CCNc2ncnc3cc(Cl)ccc32)cc1 ZINC000502737732 311971766 /nfs/dbraw/zinc/97/17/66/311971766.db2.gz DPKGXEPYPXNTJU-UHFFFAOYSA-N 0 0 328.759 3.268 10 5 EGBERN Cc1c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)sc2nccn12 ZINC000505390165 312021411 /nfs/dbraw/zinc/02/14/11/312021411.db2.gz TYXPHRFPQGXUKR-UHFFFAOYSA-N 0 0 330.369 3.482 10 5 EGBERN CCC1(CC)CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508778502 312102636 /nfs/dbraw/zinc/10/26/36/312102636.db2.gz LDTWEEBCMBPQHU-UHFFFAOYSA-N 0 0 329.404 3.407 10 5 EGBERN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515327108 312276549 /nfs/dbraw/zinc/27/65/49/312276549.db2.gz CURMYKDTPVWYNP-QAPCUYQASA-N 0 0 329.400 3.417 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2cccc3c2CCC3)c1[N+](=O)[O-] ZINC000515837236 312300030 /nfs/dbraw/zinc/30/00/30/312300030.db2.gz OROUUJVYEQBMSJ-UHFFFAOYSA-N 0 0 328.324 3.366 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccccn1 ZINC000516614112 312333067 /nfs/dbraw/zinc/33/30/67/312333067.db2.gz CDLHLBOVRFAIFA-MRXNPFEDSA-N 0 0 347.321 3.174 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc3cccnc32)n1 ZINC000517813594 312394280 /nfs/dbraw/zinc/39/42/80/312394280.db2.gz CPQLDHHWCMVPQJ-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000520585069 312512194 /nfs/dbraw/zinc/51/21/94/312512194.db2.gz CVEDGYIHAKZLEW-WOSRLPQWSA-N 0 0 348.399 3.096 10 5 EGBERN CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000522557781 312592623 /nfs/dbraw/zinc/59/26/23/312592623.db2.gz FSBSTTSRYCBHQG-LLVKDONJSA-N 0 0 346.474 3.493 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000525041108 312693681 /nfs/dbraw/zinc/69/36/81/312693681.db2.gz FCOYTYZWPMSNSD-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000525768777 312750780 /nfs/dbraw/zinc/75/07/80/312750780.db2.gz LDGUWXAGKSWWBY-GFCCVEGCSA-N 0 0 331.372 3.317 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(O)c2ccccc2c1 ZINC000525918459 312768350 /nfs/dbraw/zinc/76/83/50/312768350.db2.gz ZGDHTEXEEAPACH-UHFFFAOYSA-N 0 0 336.347 3.426 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)C(F)(F)F ZINC000531628696 313692565 /nfs/dbraw/zinc/69/25/65/313692565.db2.gz IWQKANAYTBAZSM-CYBMUJFWSA-N 0 0 339.273 3.365 10 5 EGBERN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628394 313692816 /nfs/dbraw/zinc/69/28/16/313692816.db2.gz YBZUUFHYUZDZKF-MEBBXXQBSA-N 0 0 349.774 3.149 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000533256759 313888685 /nfs/dbraw/zinc/88/86/85/313888685.db2.gz NHXSSIMPTZHHCX-GFCCVEGCSA-N 0 0 343.383 3.045 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(C2CCCCC2)n[nH]1 ZINC000533921714 313942594 /nfs/dbraw/zinc/94/25/94/313942594.db2.gz YDTPRDURQSAFDT-UHFFFAOYSA-N 0 0 342.399 3.338 10 5 EGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000534271685 313964294 /nfs/dbraw/zinc/96/42/94/313964294.db2.gz UZKSZHPJDUMIGS-STQMWFEESA-N 0 0 342.399 3.344 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC23CCCCC3)c1 ZINC000536138118 314095331 /nfs/dbraw/zinc/09/53/31/314095331.db2.gz ZHIMEHQREVAJEC-UHFFFAOYSA-N 0 0 338.429 3.223 10 5 EGBERN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537590193 314192520 /nfs/dbraw/zinc/19/25/20/314192520.db2.gz ICESPCJNQBHNOP-BONVTDFDSA-N 0 0 349.774 3.149 10 5 EGBERN C[C@H](NCC(=O)N(C)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538228292 314233824 /nfs/dbraw/zinc/23/38/24/314233824.db2.gz SGXATDVEFOUTMN-AWEZNQCLSA-N 0 0 333.432 3.284 10 5 EGBERN COc1cc2[nH]c(=NCc3ccc([N+](=O)[O-])cc3)sc2cc1OC ZINC000540808171 314404863 /nfs/dbraw/zinc/40/48/63/314404863.db2.gz AKVJQVRCSONYLU-UHFFFAOYSA-N 0 0 345.380 3.256 10 5 EGBERN CCNc1ccc(C(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000540886173 314411075 /nfs/dbraw/zinc/41/10/75/314411075.db2.gz NYVGCQIEJQVWDL-TWGQIWQCSA-N 0 0 325.368 3.470 10 5 EGBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000542137921 314519393 /nfs/dbraw/zinc/51/93/93/314519393.db2.gz KCHFHXNINNIYSV-SUMWQHHRSA-N 0 0 325.368 3.196 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000547286099 314885170 /nfs/dbraw/zinc/88/51/70/314885170.db2.gz NIMQQFBCFFLYIK-AWEZNQCLSA-N 0 0 346.387 3.007 10 5 EGBERN COc1cccc(N2C[C@H](Nc3cccc(C)c3[N+](=O)[O-])CC2=O)c1 ZINC000549122320 315077100 /nfs/dbraw/zinc/07/71/00/315077100.db2.gz VQDOHGOGENOPNM-CYBMUJFWSA-N 0 0 341.367 3.129 10 5 EGBERN CCc1ccc(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000552866517 315235878 /nfs/dbraw/zinc/23/58/78/315235878.db2.gz DYMNUAZJBJRHOC-UHFFFAOYSA-N 0 0 338.367 3.442 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000553339875 315258803 /nfs/dbraw/zinc/25/88/03/315258803.db2.gz SPMXFWAVZALGSF-GFCCVEGCSA-N 0 0 335.404 3.490 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000554032406 315294634 /nfs/dbraw/zinc/29/46/34/315294634.db2.gz YAKIBILPTUOWAF-HNNXBMFYSA-N 0 0 326.396 3.475 10 5 EGBERN Cc1ncc(Cl)c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000557978012 315544383 /nfs/dbraw/zinc/54/43/83/315544383.db2.gz KRPYNBFHYMORMA-UHFFFAOYSA-N 0 0 334.763 3.012 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000558085252 315549440 /nfs/dbraw/zinc/54/94/40/315549440.db2.gz RLVYHELGAAVFGH-WDEREUQCSA-N 0 0 326.343 3.358 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561264655 315753176 /nfs/dbraw/zinc/75/31/76/315753176.db2.gz WDQXWIWXGBTFTG-GFCCVEGCSA-N 0 0 335.335 3.134 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000562504235 315842158 /nfs/dbraw/zinc/84/21/58/315842158.db2.gz UQFCPAIXFFIZLF-UHFFFAOYSA-N 0 0 325.368 3.205 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000563426416 316019740 /nfs/dbraw/zinc/01/97/40/316019740.db2.gz LTOAJWMLWSOWMA-RDTXWAMCSA-N 0 0 346.358 3.321 10 5 EGBERN CCC(CC)n1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)n1 ZINC000564959832 316237272 /nfs/dbraw/zinc/23/72/72/316237272.db2.gz IRYCQIKDWZEYOG-UHFFFAOYSA-N 0 0 344.415 3.241 10 5 EGBERN CCc1nc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cs1 ZINC000107617168 454765464 /nfs/dbraw/zinc/76/54/64/454765464.db2.gz AAIZIWMHZZBYEQ-UHFFFAOYSA-N 0 0 337.426 3.266 10 5 EGBERN COc1cncc(/C=C/CCOc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000566210432 316436569 /nfs/dbraw/zinc/43/65/69/316436569.db2.gz VKRXBFZEWSPNBP-GQCTYLIASA-N 0 0 329.356 3.493 10 5 EGBERN O=C1C[C@@H](c2cccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CN1 ZINC000566475275 316483329 /nfs/dbraw/zinc/48/33/29/316483329.db2.gz XIOJPZIAMXEADT-DYVFJYSZSA-N 0 0 337.379 3.298 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000568651121 316804603 /nfs/dbraw/zinc/80/46/03/316804603.db2.gz IXYWYPDCBDWDNI-ZDUSSCGKSA-N 0 0 343.383 3.303 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cn1 ZINC000569149041 316872409 /nfs/dbraw/zinc/87/24/09/316872409.db2.gz ISGFXODBSSSQAB-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN CC(C)Oc1nc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000570060816 317002592 /nfs/dbraw/zinc/00/25/92/317002592.db2.gz SQOMGRPZAUKMAD-TZMCWYRMSA-N 0 0 337.420 3.010 10 5 EGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000570105632 317008267 /nfs/dbraw/zinc/00/82/67/317008267.db2.gz YSQYJUDGXVPQPF-LLVKDONJSA-N 0 0 331.294 3.040 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(F)cc(F)c1 ZINC000570558766 317073438 /nfs/dbraw/zinc/07/34/38/317073438.db2.gz BWTCHEUIFWNQDW-UHFFFAOYSA-N 0 0 335.310 3.486 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(C4CC4)nc3)c2c1 ZINC000571761945 317243820 /nfs/dbraw/zinc/24/38/20/317243820.db2.gz DULGUCXVTWLENG-UHFFFAOYSA-N 0 0 337.383 3.076 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572368125 317329378 /nfs/dbraw/zinc/32/93/78/317329378.db2.gz URNPCZAWMIWUAK-TVQRCGJNSA-N 0 0 329.784 3.167 10 5 EGBERN C[C@@H]1CCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572557006 317355346 /nfs/dbraw/zinc/35/53/46/317355346.db2.gz DSQYBGIBILYORS-IAQYHMDHSA-N 0 0 330.388 3.106 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000573688378 317518831 /nfs/dbraw/zinc/51/88/31/317518831.db2.gz IHYIIJGLBKVKIF-YMAMQOFZSA-N 0 0 332.400 3.367 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182339304 323544292 /nfs/dbraw/zinc/54/42/92/323544292.db2.gz ZFAKXGNZGIEZNH-AWEZNQCLSA-N 0 0 326.780 3.164 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1nccn1Cc1ccccc1)CC2 ZINC000182748546 323573694 /nfs/dbraw/zinc/57/36/94/323573694.db2.gz VMOACIDRNWMDOZ-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN O=C(Nc1ccc(Cl)c2ccncc12)c1ccc([N+](=O)[O-])cn1 ZINC000575419860 324460214 /nfs/dbraw/zinc/46/02/14/324460214.db2.gz XMNDTJFQLAHVIM-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN CC[C@H](C)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000579112112 325064421 /nfs/dbraw/zinc/06/44/21/325064421.db2.gz HWDNQIGOCNIFPR-GXFFZTMASA-N 0 0 348.355 3.049 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000579241266 325082386 /nfs/dbraw/zinc/08/23/86/325082386.db2.gz AEADLDYQMAEJMT-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN COc1cc(OC)c(OC)cc1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000579613705 325136395 /nfs/dbraw/zinc/13/63/95/325136395.db2.gz ZYSIXAXLWPDABS-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN Cc1ccc2c(c1)CCN(c1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)C2 ZINC000579871361 325170264 /nfs/dbraw/zinc/17/02/64/325170264.db2.gz HLPLMVLSORTMMW-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN CCC[C@H](C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000579965751 325183933 /nfs/dbraw/zinc/18/39/33/325183933.db2.gz PJGBORPRZYNXCG-XJKSGUPXSA-N 0 0 349.431 3.040 10 5 EGBERN O=C(NCCOCC1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580258373 325223064 /nfs/dbraw/zinc/22/30/64/325223064.db2.gz CIPJXTCAPHMGSU-UHFFFAOYSA-N 0 0 327.768 3.186 10 5 EGBERN COc1ncccc1-c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000580658654 325279937 /nfs/dbraw/zinc/27/99/37/325279937.db2.gz GXVGUFYJFKAUEW-UHFFFAOYSA-N 0 0 340.339 3.374 10 5 EGBERN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000581081675 325328698 /nfs/dbraw/zinc/32/86/98/325328698.db2.gz CLGMXPMNLAIKLC-WDEREUQCSA-N 0 0 334.401 3.119 10 5 EGBERN CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425430427 457550857 /nfs/dbraw/zinc/55/08/57/457550857.db2.gz FMTOYJUUPSZOGQ-ZDUSSCGKSA-N 0 0 345.237 3.196 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157726162 455225038 /nfs/dbraw/zinc/22/50/38/455225038.db2.gz RJBPHFMZSVHEPR-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 ZINC000173061154 455226318 /nfs/dbraw/zinc/22/63/18/455226318.db2.gz WQVXXJWTFDPRNP-HNNXBMFYSA-N 0 0 341.367 3.124 10 5 EGBERN C[C@H](N[C@H](C[S@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183123000 455233410 /nfs/dbraw/zinc/23/34/10/455233410.db2.gz YEQVWRVNFBZKDC-IWBYOKNISA-N 0 0 332.425 3.365 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cncs1 ZINC000594685996 459129617 /nfs/dbraw/zinc/12/96/17/459129617.db2.gz LQBUTFPEYPWXMD-SNVBAGLBSA-N 0 0 326.399 3.036 10 5 EGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173214402 455249048 /nfs/dbraw/zinc/24/90/48/455249048.db2.gz URSHHAGJQCXWML-UWVGGRQHSA-N 0 0 332.809 3.057 10 5 EGBERN O=C1CCC(=O)N1c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004684455 452813492 /nfs/dbraw/zinc/81/34/92/452813492.db2.gz NIAAXQHDPMTCCH-UHFFFAOYSA-N 0 0 331.372 3.383 10 5 EGBERN COc1ccc(OCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000005429483 452870998 /nfs/dbraw/zinc/87/09/98/452870998.db2.gz RESUVQQCHRWAHP-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN CCC(C)(C)[C@@H](C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600697264 460570676 /nfs/dbraw/zinc/57/06/76/460570676.db2.gz BUNQAJKOWPDJLN-PIGZYNQJSA-N 0 0 333.388 3.187 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000005971349 452914439 /nfs/dbraw/zinc/91/44/39/452914439.db2.gz DBQCJFXVWMUMGI-NSHDSACASA-N 0 0 325.324 3.430 10 5 EGBERN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000006051387 452917031 /nfs/dbraw/zinc/91/70/31/452917031.db2.gz ULVVNVRAJISBRC-GFCCVEGCSA-N 0 0 328.324 3.203 10 5 EGBERN C[C@@H](O)c1nc2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006653897 452964122 /nfs/dbraw/zinc/96/41/22/452964122.db2.gz XKMPOEVJPKBIJB-SECBINFHSA-N 0 0 345.742 3.340 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000009156253 453243906 /nfs/dbraw/zinc/24/39/06/453243906.db2.gz NBHCWGVQVIJYBA-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN CCOc1cccc(NCc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-] ZINC000184035008 455349543 /nfs/dbraw/zinc/34/95/43/455349543.db2.gz WNZOUKRTSWKQQB-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN C[C@@H]1CN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000012561403 453377226 /nfs/dbraw/zinc/37/72/26/453377226.db2.gz PYKLZXYTJNPTMF-GHMZBOCLSA-N 0 0 347.337 3.135 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600771513 460596822 /nfs/dbraw/zinc/59/68/22/460596822.db2.gz HHIPBYQYGVRTJM-INIZCTEOSA-N 0 0 340.379 3.493 10 5 EGBERN COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000612333529 460597634 /nfs/dbraw/zinc/59/76/34/460597634.db2.gz BPMFDBUSTKFWQF-UHFFFAOYSA-N 0 0 344.371 3.441 10 5 EGBERN COc1ccc([C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)cc1F ZINC000600775560 460598422 /nfs/dbraw/zinc/59/84/22/460598422.db2.gz MYFKXQVVMCDOCC-CYBMUJFWSA-N 0 0 344.342 3.372 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)s1 ZINC000021870915 453682609 /nfs/dbraw/zinc/68/26/09/453682609.db2.gz PJYHGBSPMDVJGO-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000616764490 460616435 /nfs/dbraw/zinc/61/64/35/460616435.db2.gz HASQKYCBKCTXFL-ZDUSSCGKSA-N 0 0 338.404 3.156 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C(=O)NC1CC1 ZINC000022801011 453698715 /nfs/dbraw/zinc/69/87/15/453698715.db2.gz KXAGUXIUUBHCIO-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(C(F)(F)F)CC1 ZINC000025996879 453791217 /nfs/dbraw/zinc/79/12/17/453791217.db2.gz AVFDOIMILJQNQI-UHFFFAOYSA-N 0 0 346.305 3.211 10 5 EGBERN CCOc1cc(C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000026766135 453805389 /nfs/dbraw/zinc/80/53/89/453805389.db2.gz NXWIOKMMMOQKPL-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889493 453832486 /nfs/dbraw/zinc/83/24/86/453832486.db2.gz KRNGQEHLGKQGOO-INIZCTEOSA-N 0 0 344.754 3.141 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000075066353 453858040 /nfs/dbraw/zinc/85/80/40/453858040.db2.gz DCEHOZPQQATJPF-UHFFFAOYSA-N 0 0 331.357 3.030 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066660796 453860084 /nfs/dbraw/zinc/86/00/84/453860084.db2.gz ZGZCIRPRXHAKMR-SNVBAGLBSA-N 0 0 339.355 3.496 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066713097 453865915 /nfs/dbraw/zinc/86/59/15/453865915.db2.gz XQVBJDPRRRQPSC-KDOFPFPSSA-N 0 0 340.379 3.126 10 5 EGBERN O=C(Nc1cccc(CNc2ccncc2[N+](=O)[O-])c1)c1ccncc1 ZINC000066810125 453875730 /nfs/dbraw/zinc/87/57/30/453875730.db2.gz IXCGKXYZXOQYFG-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000075508185 453898906 /nfs/dbraw/zinc/89/89/06/453898906.db2.gz DCJLTOVSTASUTG-BFQNTYOBSA-N 0 0 340.383 3.301 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067091451 453901706 /nfs/dbraw/zinc/90/17/06/453901706.db2.gz GYTGBOCOEJLJMH-UKRRQHHQSA-N 0 0 330.315 3.028 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n(C)n1 ZINC000081843717 453914821 /nfs/dbraw/zinc/91/48/21/453914821.db2.gz OGNJSFUHXFTNNB-LLVKDONJSA-N 0 0 328.372 3.043 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(OC)c(OC)cc2C)c1 ZINC000067298455 453920133 /nfs/dbraw/zinc/92/01/33/453920133.db2.gz MHARNOZJHIXVCE-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000054586221 453936683 /nfs/dbraw/zinc/93/66/83/453936683.db2.gz SIPUMCYPZVYCKL-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000038806913 453942146 /nfs/dbraw/zinc/94/21/46/453942146.db2.gz WZPZKVBJDOJFLG-UHFFFAOYSA-N 0 0 339.351 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067556221 453943139 /nfs/dbraw/zinc/94/31/39/453943139.db2.gz SENDYTYZNNLHQQ-KGLIPLIRSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1nsc(N2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000075967715 453943601 /nfs/dbraw/zinc/94/36/01/453943601.db2.gz IFKRAVLHWXHADM-LBPRGKRZSA-N 0 0 347.444 3.028 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2ncccc2[N+](=O)[O-])C1 ZINC000040434987 453950137 /nfs/dbraw/zinc/95/01/37/453950137.db2.gz PNXXLHDZUGDKKO-GFCCVEGCSA-N 0 0 337.376 3.016 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000055177134 453967377 /nfs/dbraw/zinc/96/73/77/453967377.db2.gz NKMLOPFHKORHHY-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCc3c(F)ccc(F)c3C2)c(Cl)c1 ZINC000084488974 453990972 /nfs/dbraw/zinc/99/09/72/453990972.db2.gz VHGJKCGRFITYRV-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)c2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000084807827 454011314 /nfs/dbraw/zinc/01/13/14/454011314.db2.gz NHHHMPXBJQFPLG-SECBINFHSA-N 0 0 339.298 3.492 10 5 EGBERN COc1ccc(COc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000085252002 454021406 /nfs/dbraw/zinc/02/14/06/454021406.db2.gz QFMYBTZBTARSLB-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN Cc1cccc(C(=O)NC[C@H]2CCN(C)c3ccccc32)c1[N+](=O)[O-] ZINC000056044981 454034707 /nfs/dbraw/zinc/03/47/07/454034707.db2.gz ZYDZOOAZUAFTON-CQSZACIVSA-N 0 0 339.395 3.257 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000086167904 454042643 /nfs/dbraw/zinc/04/26/43/454042643.db2.gz XWQWRFILUCWHJT-UHFFFAOYSA-N 0 0 346.387 3.463 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccn2)cs1 ZINC000068685886 454044665 /nfs/dbraw/zinc/04/46/65/454044665.db2.gz PZUHONYVFHOEQJ-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000077305153 454088114 /nfs/dbraw/zinc/08/81/14/454088114.db2.gz QSVJOIAOUQYWOE-OAHLLOKOSA-N 0 0 326.352 3.004 10 5 EGBERN CCCc1nc(C)c(C(=O)NCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000069324647 454094644 /nfs/dbraw/zinc/09/46/44/454094644.db2.gz PVOPMHKQGNRMPB-UHFFFAOYSA-N 0 0 337.376 3.381 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000077414228 454103487 /nfs/dbraw/zinc/10/34/87/454103487.db2.gz WAMHWHOPFDLNBR-HNNXBMFYSA-N 0 0 327.340 3.467 10 5 EGBERN COC(=O)c1cc(F)ccc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606763 454114742 /nfs/dbraw/zinc/11/47/42/454114742.db2.gz RQDRUZZEPZHRCQ-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCCc1c(C)nn(C)c1C ZINC000089265224 454130999 /nfs/dbraw/zinc/13/09/99/454130999.db2.gz UBLJCLQEIQEPCQ-UHFFFAOYSA-N 0 0 332.404 3.136 10 5 EGBERN Cc1cc(N2CCC[C@H]2c2nncn2CC(C)C)ccc1[N+](=O)[O-] ZINC000078022019 454177150 /nfs/dbraw/zinc/17/71/50/454177150.db2.gz JRFVXWLVJSWELJ-INIZCTEOSA-N 0 0 329.404 3.492 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119217232 454179108 /nfs/dbraw/zinc/17/91/08/454179108.db2.gz OINAILAVCJTRKO-NSHDSACASA-N 0 0 348.380 3.385 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095083041 454193851 /nfs/dbraw/zinc/19/38/51/454193851.db2.gz MHQBSPRJNIQPCT-JTQLQIEISA-N 0 0 348.359 3.157 10 5 EGBERN CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC000095415036 454206044 /nfs/dbraw/zinc/20/60/44/454206044.db2.gz XARWXEJQFIPISP-CYBMUJFWSA-N 0 0 346.778 3.495 10 5 EGBERN CCOCCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119640200 454209869 /nfs/dbraw/zinc/20/98/69/454209869.db2.gz HCTNMVRAMXANQI-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN Cc1cn(C2CCOCC2)nc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000600883970 460629237 /nfs/dbraw/zinc/62/92/37/460629237.db2.gz OYZAMXRQRKVCLT-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCSCC1 ZINC000089979976 454251808 /nfs/dbraw/zinc/25/18/08/454251808.db2.gz KHPSZMWWXYKFQU-JTQLQIEISA-N 0 0 343.836 3.014 10 5 EGBERN CS(=O)(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000120161405 454265944 /nfs/dbraw/zinc/26/59/44/454265944.db2.gz BVZRLBXJWPIMLO-UHFFFAOYSA-N 0 0 338.360 3.065 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000600894150 460631676 /nfs/dbraw/zinc/63/16/76/460631676.db2.gz LVLPJAKCHKOGNN-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN CCc1cc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000078592546 454282179 /nfs/dbraw/zinc/28/21/79/454282179.db2.gz JGOOOYPJIYBYFU-CQSZACIVSA-N 0 0 331.376 3.164 10 5 EGBERN COc1ccc(CCCNc2ncc(C)cc2[N+](=O)[O-])cc1OC ZINC000078654551 454293347 /nfs/dbraw/zinc/29/33/47/454293347.db2.gz YTWQHLBSRYPAJR-UHFFFAOYSA-N 0 0 331.372 3.360 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000072545364 454307085 /nfs/dbraw/zinc/30/70/85/454307085.db2.gz WZPZPKXGLJTCBA-CHWSQXEVSA-N 0 0 342.399 3.256 10 5 EGBERN Cc1nccn1-c1ncccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000047174386 454335790 /nfs/dbraw/zinc/33/57/90/454335790.db2.gz WQWKYSNLFXRKJR-CMDGGOBGSA-N 0 0 349.350 3.136 10 5 EGBERN CCNc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000072967605 454371752 /nfs/dbraw/zinc/37/17/52/454371752.db2.gz GFJSOONKXNGSTP-UHFFFAOYSA-N 0 0 331.347 3.438 10 5 EGBERN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000073050200 454387989 /nfs/dbraw/zinc/38/79/89/454387989.db2.gz ADBLZCUGLMJSIV-OAHLLOKOSA-N 0 0 327.319 3.064 10 5 EGBERN CO[C@]1(C)C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000073275275 454415137 /nfs/dbraw/zinc/41/51/37/454415137.db2.gz TYOWGUWPLJESFM-RHSMWYFYSA-N 0 0 331.372 3.010 10 5 EGBERN O=[N+]([O-])c1ccc(Br)cc1N[C@H]1c2ccccc2C[C@@H]1O ZINC000091430610 454435400 /nfs/dbraw/zinc/43/54/00/454435400.db2.gz HMYKQOKNIDHBML-GJZGRUSLSA-N 0 0 349.184 3.428 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000091627851 454451958 /nfs/dbraw/zinc/45/19/58/454451958.db2.gz NHKUARAYQSDZAN-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN C[C@@H](C(=O)NC[C@@H](C)c1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000612477868 460638531 /nfs/dbraw/zinc/63/85/31/460638531.db2.gz LJSZPHRWZDMPQF-VXGBXAGGSA-N 0 0 331.347 3.152 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000134175901 454511481 /nfs/dbraw/zinc/51/14/81/454511481.db2.gz PKYVSCWGGWSRIN-HOTGVXAUSA-N 0 0 332.400 3.405 10 5 EGBERN NC(=O)c1ccc(NCCCCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000065229704 454541319 /nfs/dbraw/zinc/54/13/19/454541319.db2.gz UVKLIKHJFHJQKB-UHFFFAOYSA-N 0 0 343.383 3.103 10 5 EGBERN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000080162088 454544286 /nfs/dbraw/zinc/54/42/86/454544286.db2.gz ZVVCNBLYINXSMG-ZDUSSCGKSA-N 0 0 342.399 3.328 10 5 EGBERN COc1ccccc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377837 454552342 /nfs/dbraw/zinc/55/23/42/454552342.db2.gz LSEVTIRTFNUDGG-GFCCVEGCSA-N 0 0 326.352 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](OCCCc3ccccc3)C2)cn1 ZINC000080232749 454554156 /nfs/dbraw/zinc/55/41/56/454554156.db2.gz ZKGNOIODBXTHQT-KRWDZBQOSA-N 0 0 327.384 3.218 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134623019 454570770 /nfs/dbraw/zinc/57/07/70/454570770.db2.gz CPWAELOEAMNIGV-NHYWBVRUSA-N 0 0 340.807 3.309 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000074425845 454579431 /nfs/dbraw/zinc/57/94/31/454579431.db2.gz FIDGULUSSOIWAE-OAHLLOKOSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104321012 454581915 /nfs/dbraw/zinc/58/19/15/454581915.db2.gz MGFXOGCMQFSGPK-WDZFZDKYSA-N 0 0 340.335 3.098 10 5 EGBERN CCOc1cc(Sc2nnnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000092581334 454589085 /nfs/dbraw/zinc/58/90/85/454589085.db2.gz CZKFKPBLXVUXLE-UHFFFAOYSA-N 0 0 343.368 3.120 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(OC)c(NC(C)=O)c2)c1 ZINC000092585194 454590817 /nfs/dbraw/zinc/59/08/17/454590817.db2.gz CPNKXWHUZSOUEG-UHFFFAOYSA-N 0 0 349.318 3.453 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2cscn2)CC1 ZINC000080611599 454606144 /nfs/dbraw/zinc/60/61/44/454606144.db2.gz ZUQDAQGEMQMRSR-UHFFFAOYSA-N 0 0 332.429 3.436 10 5 EGBERN Cc1cc(N2CCC3(CC2)OC[C@@H](C)O3)c(Cl)cc1[N+](=O)[O-] ZINC000080645660 454611378 /nfs/dbraw/zinc/61/13/78/454611378.db2.gz JIATWZUMWWYBDM-LLVKDONJSA-N 0 0 326.780 3.288 10 5 EGBERN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2O1 ZINC000135263516 454655547 /nfs/dbraw/zinc/65/55/47/454655547.db2.gz SWSYTLLRQDFXKU-KRWDZBQOSA-N 0 0 343.339 3.448 10 5 EGBERN Cc1nc(CN2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000105866457 454661570 /nfs/dbraw/zinc/66/15/70/454661570.db2.gz FRALGMPAONTMNK-UHFFFAOYSA-N 0 0 346.456 3.068 10 5 EGBERN O=[N+]([O-])c1cc(CO)ccc1NCCCc1nc2ccccc2[nH]1 ZINC000080970280 454662170 /nfs/dbraw/zinc/66/21/70/454662170.db2.gz BOUWXLOUSIDVNZ-UHFFFAOYSA-N 0 0 326.356 3.008 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135394810 454672058 /nfs/dbraw/zinc/67/20/58/454672058.db2.gz JSAOMDRLIJEFJI-AWEZNQCLSA-N 0 0 346.362 3.062 10 5 EGBERN CC(C)(C)C1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000136470026 454744256 /nfs/dbraw/zinc/74/42/56/454744256.db2.gz HMAWLSSGFPESDG-UHFFFAOYSA-N 0 0 348.443 3.221 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000153010765 454752885 /nfs/dbraw/zinc/75/28/85/454752885.db2.gz UOZHEUGLHMPIEK-MRXNPFEDSA-N 0 0 345.355 3.410 10 5 EGBERN Cc1sc(C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000153127302 454762850 /nfs/dbraw/zinc/76/28/50/454762850.db2.gz WSRSSVZNHMNMLV-LBPRGKRZSA-N 0 0 342.417 3.061 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)O1 ZINC000153485323 454798605 /nfs/dbraw/zinc/79/86/05/454798605.db2.gz QKXUESLJBAEXNN-RNCFNFMXSA-N 0 0 333.369 3.224 10 5 EGBERN Cc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000141412551 454829676 /nfs/dbraw/zinc/82/96/76/454829676.db2.gz WJLLWLFDTFMMRK-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1O ZINC000184880036 455465994 /nfs/dbraw/zinc/46/59/94/455465994.db2.gz VFDIQASYEYMXMO-OAHLLOKOSA-N 0 0 342.395 3.228 10 5 EGBERN COc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000110567983 454847993 /nfs/dbraw/zinc/84/79/93/454847993.db2.gz BLDDKJFPDWKLFH-PIGZYNQJSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccc(O)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000154224445 454876422 /nfs/dbraw/zinc/87/64/22/454876422.db2.gz JTUVLSSARAYOML-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN CCOc1ccc(C(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000112585541 454892496 /nfs/dbraw/zinc/89/24/96/454892496.db2.gz ODTOMGXPLACZFC-RMKNXTFCSA-N 0 0 326.352 3.437 10 5 EGBERN CC[C@@H](NC(=O)Cc1n[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177808189 454908368 /nfs/dbraw/zinc/90/83/68/454908368.db2.gz HSVHOQTUJPGQEN-OAHLLOKOSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000154639803 454915128 /nfs/dbraw/zinc/91/51/28/454915128.db2.gz KWDBHMHVVSEZCK-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000191465046 455487697 /nfs/dbraw/zinc/48/76/97/455487697.db2.gz JTZNQYZGEYSYEA-LBPRGKRZSA-N 0 0 338.367 3.455 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccn(C3CCCC3)n2)nc2sccn21 ZINC000154736820 454925633 /nfs/dbraw/zinc/92/56/33/454925633.db2.gz PVZLFAOVGUIQMQ-UHFFFAOYSA-N 0 0 332.389 3.228 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113887081 454936459 /nfs/dbraw/zinc/93/64/59/454936459.db2.gz GGFZTXVZAUGKNN-MRXNPFEDSA-N 0 0 339.355 3.167 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438042 454953879 /nfs/dbraw/zinc/95/38/79/454953879.db2.gz RYUFXEGGAGSRHA-SFHVURJKSA-N 0 0 330.384 3.323 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000115237233 455006665 /nfs/dbraw/zinc/00/66/65/455006665.db2.gz RUMJCDWPZCOSGH-INIZCTEOSA-N 0 0 343.408 3.229 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000155518264 455010910 /nfs/dbraw/zinc/01/09/10/455010910.db2.gz GLKGFNRSJYWCOB-CYBMUJFWSA-N 0 0 336.388 3.163 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151750283 455025338 /nfs/dbraw/zinc/02/53/38/455025338.db2.gz QZKYSACSEUOVST-PXAZEXFGSA-N 0 0 326.352 3.059 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128218657 455036629 /nfs/dbraw/zinc/03/66/29/455036629.db2.gz ILLNQGIGMBFPKO-DOMZBBRYSA-N 0 0 326.352 3.198 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000155799147 455046731 /nfs/dbraw/zinc/04/67/31/455046731.db2.gz FBJWZFWSWWNOLG-CQSZACIVSA-N 0 0 334.372 3.176 10 5 EGBERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000128511956 455063623 /nfs/dbraw/zinc/06/36/23/455063623.db2.gz ATOPCYXEGITPED-LLVKDONJSA-N 0 0 328.246 3.091 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000156021667 455073627 /nfs/dbraw/zinc/07/36/27/455073627.db2.gz YWTCMNGJPGXWRZ-UHFFFAOYSA-N 0 0 338.327 3.332 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCS[C@@H](C)C1 ZINC000171700560 455087452 /nfs/dbraw/zinc/08/74/52/455087452.db2.gz UIUWWQLSSQNHQR-UWVGGRQHSA-N 0 0 343.836 3.013 10 5 EGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172049873 455113775 /nfs/dbraw/zinc/11/37/75/455113775.db2.gz GHXUBZCJXMQWSH-YVEFUNNKSA-N 0 0 326.352 3.118 10 5 EGBERN Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)n1 ZINC000129635965 455119480 /nfs/dbraw/zinc/11/94/80/455119480.db2.gz ZTWUPYCXXADGFF-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN COc1cccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000119035250 455121594 /nfs/dbraw/zinc/12/15/94/455121594.db2.gz HWWCXUYWVNQCQL-LJQANCHMSA-N 0 0 342.395 3.485 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3nc(C)ccc32)c1 ZINC000180453843 455172532 /nfs/dbraw/zinc/17/25/32/455172532.db2.gz SMWWVDZXSDDWIX-UHFFFAOYSA-N 0 0 345.380 3.059 10 5 EGBERN O=[N+]([O-])c1ccc(OC2CCN(c3ccnc(C4CC4)n3)CC2)cc1 ZINC000172787238 455187768 /nfs/dbraw/zinc/18/77/68/455187768.db2.gz DMYJWLQWJYDUCF-UHFFFAOYSA-N 0 0 340.383 3.310 10 5 EGBERN CCOc1ccc(C(=O)N2CCOc3cccc(F)c32)cc1[N+](=O)[O-] ZINC000157461717 455197603 /nfs/dbraw/zinc/19/76/03/455197603.db2.gz IPJIGXCJXPBOED-UHFFFAOYSA-N 0 0 346.314 3.172 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183329220 455277660 /nfs/dbraw/zinc/27/76/60/455277660.db2.gz HHYPKFVXIKRDGD-LJQANCHMSA-N 0 0 342.395 3.485 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181053048 455281085 /nfs/dbraw/zinc/28/10/85/455281085.db2.gz BTSPSQDXDOSUKJ-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000183351766 455281900 /nfs/dbraw/zinc/28/19/00/455281900.db2.gz MQNHGDMEFWHXSI-GOSISDBHSA-N 0 0 328.368 3.182 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCc2cc(F)ccc21 ZINC000183637825 455315546 /nfs/dbraw/zinc/31/55/46/455315546.db2.gz ZQQFBIHSQAJIQP-ZDUSSCGKSA-N 0 0 330.319 3.328 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183675026 455319218 /nfs/dbraw/zinc/31/92/18/455319218.db2.gz YKSPDNWUEDEZJD-INIZCTEOSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC000173671356 455326553 /nfs/dbraw/zinc/32/65/53/455326553.db2.gz XFIXEYKZLWGOLC-UHFFFAOYSA-N 0 0 346.774 3.048 10 5 EGBERN Cc1csc([C@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000184175031 455359721 /nfs/dbraw/zinc/35/97/21/455359721.db2.gz ZDIBZDAEEBJOLP-JTQLQIEISA-N 0 0 345.384 3.261 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000159686759 455395307 /nfs/dbraw/zinc/39/53/07/455395307.db2.gz IDVPPJYMJBZPDZ-CQSZACIVSA-N 0 0 348.424 3.126 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174496109 455397697 /nfs/dbraw/zinc/39/76/97/455397697.db2.gz MMLLALLUJDGSLJ-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN CSC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182285733 455480424 /nfs/dbraw/zinc/48/04/24/455480424.db2.gz CJMXCQFVLMSAJN-SSDOTTSWSA-N 0 0 333.207 3.295 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(Cc3ccccc3)CCCC2)n1 ZINC000191708332 455511920 /nfs/dbraw/zinc/51/19/20/455511920.db2.gz LUBGHIUXUFDSOJ-UHFFFAOYSA-N 0 0 342.399 3.097 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000191779302 455519237 /nfs/dbraw/zinc/51/92/37/455519237.db2.gz MIZXTQQDRGCGNH-CYBMUJFWSA-N 0 0 348.790 3.442 10 5 EGBERN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000612616023 460680120 /nfs/dbraw/zinc/68/01/20/460680120.db2.gz NPZRDEKEQWPPBL-CQSZACIVSA-N 0 0 339.367 3.451 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000271600229 455697099 /nfs/dbraw/zinc/69/70/99/455697099.db2.gz VHYYJLDKVRNIOT-UHFFFAOYSA-N 0 0 343.387 3.142 10 5 EGBERN Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292609747 455711729 /nfs/dbraw/zinc/71/17/29/455711729.db2.gz MUORGIFAUIWITP-GFCCVEGCSA-N 0 0 345.378 3.353 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000192919956 455717862 /nfs/dbraw/zinc/71/78/62/455717862.db2.gz LUTSAQJHTGIEFT-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN COc1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736098 455743830 /nfs/dbraw/zinc/74/38/30/455743830.db2.gz GURJMRXANNIONO-LSDHHAIUSA-N 0 0 342.342 3.089 10 5 EGBERN C[C@H](CCO)C1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000271759631 455749701 /nfs/dbraw/zinc/74/97/01/455749701.db2.gz BCAAOUGIBAXHPI-ZIAGYGMSSA-N 0 0 349.431 3.144 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000284916264 455761292 /nfs/dbraw/zinc/76/12/92/455761292.db2.gz MZRYAJFWZQHFQO-VIFPVBQESA-N 0 0 334.269 3.457 10 5 EGBERN CCCCN(CCCO)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271803737 455766738 /nfs/dbraw/zinc/76/67/38/455766738.db2.gz POVZNAQXQWYGPI-MRXNPFEDSA-N 0 0 337.420 3.240 10 5 EGBERN CCC(O)(CC)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278200823 455784943 /nfs/dbraw/zinc/78/49/43/455784943.db2.gz PXSZVVZEYMNENC-UHFFFAOYSA-N 0 0 338.407 3.375 10 5 EGBERN CC[C@@H](CCO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278234541 455793497 /nfs/dbraw/zinc/79/34/97/455793497.db2.gz UGKIEUTVAKPGKX-ZDUSSCGKSA-N 0 0 338.407 3.232 10 5 EGBERN CO[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000252005477 455801769 /nfs/dbraw/zinc/80/17/69/455801769.db2.gz WYZHLMZHRJDZAQ-YWPYICTPSA-N 0 0 346.387 3.063 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000255493800 455868298 /nfs/dbraw/zinc/86/82/98/455868298.db2.gz OQDDKICIXYDBLH-GMNBZTITSA-N 0 0 338.411 3.437 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC=C(C(F)(F)F)CC1 ZINC000270171126 455894220 /nfs/dbraw/zinc/89/42/20/455894220.db2.gz AFVIPPWRSKRLKU-UHFFFAOYSA-N 0 0 339.273 3.411 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000272308303 455909423 /nfs/dbraw/zinc/90/94/23/455909423.db2.gz YTFJAASELUKBPF-JSGCOSHPSA-N 0 0 340.807 3.117 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(C4CCC4)no3)c2)c1 ZINC000601079782 460700712 /nfs/dbraw/zinc/70/07/12/460700712.db2.gz GZVCNCNCEOAOCZ-UHFFFAOYSA-N 0 0 325.328 3.157 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272334869 455917788 /nfs/dbraw/zinc/91/77/88/455917788.db2.gz LGGSQEPLEDIMGG-DZGCQCFKSA-N 0 0 335.404 3.164 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195511849 455973160 /nfs/dbraw/zinc/97/31/60/455973160.db2.gz QSPVSTHWFMIJMZ-UHFFFAOYSA-N 0 0 334.401 3.141 10 5 EGBERN CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000270649173 456004641 /nfs/dbraw/zinc/00/46/41/456004641.db2.gz ZXZHRDLYDPCEBZ-IAGOWNOFSA-N 0 0 346.358 3.425 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270668376 456010442 /nfs/dbraw/zinc/01/04/42/456010442.db2.gz BTFAETATEOKGEH-NSHDSACASA-N 0 0 333.775 3.372 10 5 EGBERN Cc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc2nccn12 ZINC000270724537 456024269 /nfs/dbraw/zinc/02/42/69/456024269.db2.gz FDQJQWWKJWSPFN-SNVBAGLBSA-N 0 0 344.396 3.412 10 5 EGBERN O=C(Nc1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1)C1CCC1 ZINC000601102832 460711035 /nfs/dbraw/zinc/71/10/35/460711035.db2.gz GNISMBXRPFIKLF-UHFFFAOYSA-N 0 0 344.346 3.480 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000297077756 456111508 /nfs/dbraw/zinc/11/15/08/456111508.db2.gz ZINJMCNHXAUUNE-OCCSQVGLSA-N 0 0 341.314 3.112 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3C)CC2)c1 ZINC000301442113 456116084 /nfs/dbraw/zinc/11/60/84/456116084.db2.gz NKIPQUXVOXPFMZ-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN CC(C)(C)c1nnc(COC(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000281147054 456146876 /nfs/dbraw/zinc/14/68/76/456146876.db2.gz IWVKZUZIHCLDPV-UHFFFAOYSA-N 0 0 327.387 3.162 10 5 EGBERN Cc1ccc(C(=O)OCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000281289548 456190287 /nfs/dbraw/zinc/19/02/87/456190287.db2.gz UFGZXAGDAFHRSE-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN Cc1nc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)sc1C ZINC000601130356 460722890 /nfs/dbraw/zinc/72/28/90/460722890.db2.gz JCSWUGCGQXBGNZ-UHFFFAOYSA-N 0 0 349.338 3.075 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000289992984 456209445 /nfs/dbraw/zinc/20/94/45/456209445.db2.gz YMVQVVPYDGBLHI-QGZVFWFLSA-N 0 0 345.351 3.077 10 5 EGBERN C[C@H]1c2ccccc2CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601124648 460719527 /nfs/dbraw/zinc/71/95/27/460719527.db2.gz ICKFUOJOGNCXNE-VIFPVBQESA-N 0 0 340.305 3.471 10 5 EGBERN CCOCc1nc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000290072058 456231839 /nfs/dbraw/zinc/23/18/39/456231839.db2.gz GFENYUKBKNMCCI-XHDPSFHLSA-N 0 0 346.387 3.243 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000301877380 456238442 /nfs/dbraw/zinc/23/84/42/456238442.db2.gz HBIKMJZQLMOVPU-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN CC[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(F)c1 ZINC000301909285 456248210 /nfs/dbraw/zinc/24/82/10/456248210.db2.gz AWPQLDQWGYECSD-LBPRGKRZSA-N 0 0 345.334 3.046 10 5 EGBERN Cc1ccc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC000301908633 456248416 /nfs/dbraw/zinc/24/84/16/456248416.db2.gz ALZVCGFPSMWEQJ-MRVPVSSYSA-N 0 0 330.387 3.134 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(=Cc4ccccc4)CC3)nn21 ZINC000301964473 456260656 /nfs/dbraw/zinc/26/06/56/456260656.db2.gz NTGNDJSYCCVYLG-UHFFFAOYSA-N 0 0 335.367 3.321 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCOC2(CCCC2)C1 ZINC000601132185 460724009 /nfs/dbraw/zinc/72/40/09/460724009.db2.gz XMSWHLGDVDMNTE-SECBINFHSA-N 0 0 348.325 3.251 10 5 EGBERN COc1cc(C)cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601134465 460724789 /nfs/dbraw/zinc/72/47/89/460724789.db2.gz GXIISMFWLAHSCD-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN COc1cccc2[nH]cc(CCNc3cc(C)c([N+](=O)[O-])cn3)c21 ZINC000302069928 456279869 /nfs/dbraw/zinc/27/98/69/456279869.db2.gz UDQSNMXFORVUBE-UHFFFAOYSA-N 0 0 326.356 3.443 10 5 EGBERN C[C@H](Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302108149 456289365 /nfs/dbraw/zinc/28/93/65/456289365.db2.gz AWEKFWBIGYDIRO-SECBINFHSA-N 0 0 337.177 3.190 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000302181661 456309964 /nfs/dbraw/zinc/30/99/64/456309964.db2.gz YQOSETAQOSIULJ-HNNXBMFYSA-N 0 0 326.400 3.403 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nccs1 ZINC000342946513 456330728 /nfs/dbraw/zinc/33/07/28/456330728.db2.gz YCVLWFIWMGOBSF-SNVBAGLBSA-N 0 0 330.369 3.414 10 5 EGBERN COc1ccc(F)cc1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000302392333 456339174 /nfs/dbraw/zinc/33/91/74/456339174.db2.gz DLAXQPRLZURXMC-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000275909816 456348620 /nfs/dbraw/zinc/34/86/20/456348620.db2.gz VZLRIJIQTKHNDP-TZMCWYRMSA-N 0 0 340.807 3.490 10 5 EGBERN Cc1cccc(N2CCC(C(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302517084 456352091 /nfs/dbraw/zinc/35/20/91/456352091.db2.gz VWMHQNFWHXMRQL-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN CC[C@@H](CC(F)(F)F)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601141267 460729636 /nfs/dbraw/zinc/72/96/36/460729636.db2.gz CXOTYMRBBMEKMB-YFKPBYRVSA-N 0 0 334.220 3.490 10 5 EGBERN O=C1CCc2cc(Oc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)ccc21 ZINC000302532324 456356611 /nfs/dbraw/zinc/35/66/11/456356611.db2.gz LPAVMANZGUGCJT-UHFFFAOYSA-N 0 0 338.319 3.401 10 5 EGBERN Cc1nc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000302584828 456362042 /nfs/dbraw/zinc/36/20/42/456362042.db2.gz UXVXBRQELNBVDE-SNVBAGLBSA-N 0 0 346.353 3.373 10 5 EGBERN C[C@H]1c2ccccc2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352862183 456371788 /nfs/dbraw/zinc/37/17/88/456371788.db2.gz MUFCEDKCYJUZTQ-LBPRGKRZSA-N 0 0 332.381 3.001 10 5 EGBERN CCc1nnc(Oc2ccc([N+](=O)[O-])c3ncccc23)nc1CC ZINC000302808841 456407028 /nfs/dbraw/zinc/40/70/28/456407028.db2.gz XYKHZIMPJPNDLG-UHFFFAOYSA-N 0 0 325.328 3.245 10 5 EGBERN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818517 456408076 /nfs/dbraw/zinc/40/80/76/456408076.db2.gz NJPRPODTTRGFAM-STQMWFEESA-N 0 0 337.395 3.255 10 5 EGBERN O=C(c1ccsc1)N1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302819322 456409883 /nfs/dbraw/zinc/40/98/83/456409883.db2.gz NVZIDYAVFBTNTL-UHFFFAOYSA-N 0 0 349.387 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000343256862 456487513 /nfs/dbraw/zinc/48/75/13/456487513.db2.gz DLXLILUCYREFKF-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)CC(C)(C)C ZINC000276642723 456540030 /nfs/dbraw/zinc/54/00/30/456540030.db2.gz VFIQDXFYNUXJOV-NSHDSACASA-N 0 0 328.796 3.084 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000343351073 456551765 /nfs/dbraw/zinc/55/17/65/456551765.db2.gz DFQWTTAXPBXZCB-UHFFFAOYSA-N 0 0 343.305 3.241 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2cn3cccnc3n2)c1 ZINC000340607149 456566714 /nfs/dbraw/zinc/56/67/14/456566714.db2.gz LVMJVXLYESDQSU-UHFFFAOYSA-N 0 0 348.160 3.012 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299089046 456603003 /nfs/dbraw/zinc/60/30/03/456603003.db2.gz YWKBBICLJFDGMT-CQSZACIVSA-N 0 0 348.424 3.426 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cs1 ZINC000291356092 456617533 /nfs/dbraw/zinc/61/75/33/456617533.db2.gz XUQXPEMKGLIRED-SFHVURJKSA-N 0 0 346.452 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCc1ccccc1)C(=O)[O-] ZINC000277114504 456686622 /nfs/dbraw/zinc/68/66/22/456686622.db2.gz ANBJWZCJTOMVRD-KRWDZBQOSA-N 0 0 328.368 3.079 10 5 EGBERN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277132143 456692216 /nfs/dbraw/zinc/69/22/16/456692216.db2.gz ULDZHMKXYQPNGR-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000340897946 456748382 /nfs/dbraw/zinc/74/83/82/456748382.db2.gz KMUQNFHBPMSCCN-NEPJUHHUSA-N 0 0 331.347 3.412 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343622440 456750794 /nfs/dbraw/zinc/75/07/94/456750794.db2.gz NORLAMUNVZMNTE-AWEZNQCLSA-N 0 0 327.384 3.364 10 5 EGBERN CCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000299654162 456755428 /nfs/dbraw/zinc/75/54/28/456755428.db2.gz PDUXRPZDMCBQKC-UHFFFAOYSA-N 0 0 328.368 3.370 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2(CCOCC2)c2ccccc21 ZINC000340918690 456760996 /nfs/dbraw/zinc/76/09/96/456760996.db2.gz ZXNOUVQXHIPIDE-UHFFFAOYSA-N 0 0 342.399 3.320 10 5 EGBERN Cc1c(C(=O)NC2CCC3(CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277291537 456762671 /nfs/dbraw/zinc/76/26/71/456762671.db2.gz AWIGHZIPRQZISX-UHFFFAOYSA-N 0 0 333.344 3.264 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(F)cc1F ZINC000340950288 456779695 /nfs/dbraw/zinc/77/96/95/456779695.db2.gz NPLPVUJPQDESNU-UHFFFAOYSA-N 0 0 342.248 3.010 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301222643 456824956 /nfs/dbraw/zinc/82/49/56/456824956.db2.gz CXWOABPEANJTSU-AWEZNQCLSA-N 0 0 341.367 3.072 10 5 EGBERN Nc1c(F)c(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000348722484 456829734 /nfs/dbraw/zinc/82/97/34/456829734.db2.gz VXQWURVVEQNCHV-LLVKDONJSA-N 0 0 345.330 3.386 10 5 EGBERN CCOc1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000341275802 456830470 /nfs/dbraw/zinc/83/04/70/456830470.db2.gz KMGSGWBAEXOYKP-OAHLLOKOSA-N 0 0 348.399 3.025 10 5 EGBERN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341329245 456851106 /nfs/dbraw/zinc/85/11/06/456851106.db2.gz OMTRVZUVPVWOAF-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000348801585 456862558 /nfs/dbraw/zinc/86/25/58/456862558.db2.gz NNDCOSLAWDTKBF-DOMZBBRYSA-N 0 0 325.368 3.371 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1OC(C)C ZINC000341649494 456884052 /nfs/dbraw/zinc/88/40/52/456884052.db2.gz WKJXDEBREUNVOE-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN Cn1cc(-c2ccnc(/C=C/c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000349221489 456916400 /nfs/dbraw/zinc/91/64/00/456916400.db2.gz DVBSCNPCTYIOKB-HWKANZROSA-N 0 0 325.303 3.095 10 5 EGBERN Cc1oc(-c2ccsc2)nc1Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000349220210 456916609 /nfs/dbraw/zinc/91/66/09/456916609.db2.gz WRDJBJGZCRMXQF-UHFFFAOYSA-N 0 0 331.353 3.138 10 5 EGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000339112729 456946417 /nfs/dbraw/zinc/94/64/17/456946417.db2.gz SCXKBACBFWJELH-YGRLFVJLSA-N 0 0 332.322 3.470 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000341824934 456960024 /nfs/dbraw/zinc/96/00/24/456960024.db2.gz CWKFTGFUUJDDKP-UHFFFAOYSA-N 0 0 331.294 3.103 10 5 EGBERN COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000345194180 456962911 /nfs/dbraw/zinc/96/29/11/456962911.db2.gz JTSHEFAOEGIBHC-CYBMUJFWSA-N 0 0 328.368 3.098 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341846853 456969648 /nfs/dbraw/zinc/96/96/48/456969648.db2.gz NYSUNLDOKBVGEF-GFCCVEGCSA-N 0 0 337.395 3.111 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000339166613 456974373 /nfs/dbraw/zinc/97/43/73/456974373.db2.gz PJGJNNFVOJTTQB-DOMZBBRYSA-N 0 0 326.352 3.198 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341915932 456999298 /nfs/dbraw/zinc/99/92/98/456999298.db2.gz IUQHCXQPSIKCNU-CXAGYDPISA-N 0 0 337.420 3.142 10 5 EGBERN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354011190 457007364 /nfs/dbraw/zinc/00/73/64/457007364.db2.gz RQDKAGADJKQEOS-UWVGGRQHSA-N 0 0 346.305 3.399 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356483533 457014361 /nfs/dbraw/zinc/01/43/61/457014361.db2.gz UBVTVDTZRJHDJR-DOTOQJQBSA-N 0 0 346.408 3.433 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330523172 457053297 /nfs/dbraw/zinc/05/32/97/457053297.db2.gz IOJXGGIKRVLEOM-SXMVTHIZSA-N 0 0 343.177 3.109 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CCOc3ccccc32)no1 ZINC000356555644 457053302 /nfs/dbraw/zinc/05/33/02/457053302.db2.gz WQKZPICLOBZIRI-ZDUSSCGKSA-N 0 0 338.323 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000331348644 457170759 /nfs/dbraw/zinc/17/07/59/457170759.db2.gz NARDLRDXKNALOP-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN CCc1nnc(CNC(=O)c2cc3ccccc3c3cccnc23)o1 ZINC000346806377 457177903 /nfs/dbraw/zinc/17/79/03/457177903.db2.gz QTFMVGRMRDAGAN-UHFFFAOYSA-N 0 0 332.363 3.263 10 5 EGBERN CS[C@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342261875 457197498 /nfs/dbraw/zinc/19/74/98/457197498.db2.gz YATYZCPTIWMRFH-KOLCDFICSA-N 0 0 344.383 3.206 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(Cc2cc(C)on2)no1 ZINC000356889568 457199921 /nfs/dbraw/zinc/19/99/21/457199921.db2.gz AYXWHLFWLHCTAX-JXMROGBWSA-N 0 0 326.312 3.426 10 5 EGBERN CC(C)(C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000342367840 457260192 /nfs/dbraw/zinc/26/01/92/457260192.db2.gz GLHPOXZWOLNIPW-UHFFFAOYSA-N 0 0 342.399 3.002 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000354520578 457268441 /nfs/dbraw/zinc/26/84/41/457268441.db2.gz KNHRLOQVQOAKSZ-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(OC)c2OC)c1 ZINC000360147232 457275794 /nfs/dbraw/zinc/27/57/94/457275794.db2.gz IGOQKBSVNQYTGQ-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN CCS[C@@H]1CCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340025891 457321889 /nfs/dbraw/zinc/32/18/89/457321889.db2.gz VUGPMEJLBDSUFG-VXGBXAGGSA-N 0 0 339.417 3.171 10 5 EGBERN O=C(CC[C@H]1CCOC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347273168 457323973 /nfs/dbraw/zinc/32/39/73/457323973.db2.gz IGFZHEBSZBHJCY-VIFPVBQESA-N 0 0 343.177 3.113 10 5 EGBERN CC(C)OCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347277550 457326223 /nfs/dbraw/zinc/32/62/23/457326223.db2.gz PFQASJVLLGJGFY-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000352019332 457332926 /nfs/dbraw/zinc/33/29/26/457332926.db2.gz AAUVYVGTJMAYBN-DUXPYHPUSA-N 0 0 334.335 3.219 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCCCS2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360761518 457340716 /nfs/dbraw/zinc/34/07/16/457340716.db2.gz HTNOMAMXYROQBE-OAHLLOKOSA-N 0 0 331.397 3.098 10 5 EGBERN CCCOC1(c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000347320126 457351355 /nfs/dbraw/zinc/35/13/55/457351355.db2.gz MGLIPSYVBGODPD-UHFFFAOYSA-N 0 0 349.391 3.447 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000360795668 457356733 /nfs/dbraw/zinc/35/67/33/457356733.db2.gz DXLADFUXUBJSFN-CYBMUJFWSA-N 0 0 345.403 3.149 10 5 EGBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CC12CC2 ZINC000424982894 457395353 /nfs/dbraw/zinc/39/53/53/457395353.db2.gz ISIZOTSNSFIQGV-GFCCVEGCSA-N 0 0 343.305 3.084 10 5 EGBERN C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1F ZINC000357326105 457447595 /nfs/dbraw/zinc/44/75/95/457447595.db2.gz DUYIRMHBKHQJLR-NSHDSACASA-N 0 0 342.330 3.449 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000342694425 457461252 /nfs/dbraw/zinc/46/12/52/457461252.db2.gz VKGHIIKNVHXJRI-VIFPVBQESA-N 0 0 329.303 3.075 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1Cc2ccccc2[C@H]1C ZINC000361056762 457551298 /nfs/dbraw/zinc/55/12/98/457551298.db2.gz ILGDGXPVKRJUGY-CYBMUJFWSA-N 0 0 325.368 3.419 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cc(OC)ccn1 ZINC000425617246 457613625 /nfs/dbraw/zinc/61/36/25/457613625.db2.gz HIFLRJWNTMZIQP-AWEZNQCLSA-N 0 0 343.383 3.230 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000410132882 457631439 /nfs/dbraw/zinc/63/14/39/457631439.db2.gz FQMSKMYLEPUJSH-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN Cc1cc(Cn2cc([N+](=O)[O-])cc(C)c2=O)ccc1Br ZINC000410314350 457636652 /nfs/dbraw/zinc/63/66/52/457636652.db2.gz IVLZLWHZPNEKSQ-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000374473019 457637416 /nfs/dbraw/zinc/63/74/16/457637416.db2.gz UKAMLKVJKLVEBN-SFHVURJKSA-N 0 0 343.358 3.196 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000374490586 457639288 /nfs/dbraw/zinc/63/92/88/457639288.db2.gz XSMSONZXEXKYIT-DYVFJYSZSA-N 0 0 344.342 3.242 10 5 EGBERN CNc1c(C(=O)NCCCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000361212098 457647222 /nfs/dbraw/zinc/64/72/22/457647222.db2.gz LQDLQTQHAIMLDW-UHFFFAOYSA-N 0 0 331.347 3.138 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370551942 457671526 /nfs/dbraw/zinc/67/15/26/457671526.db2.gz MSFAMUGFPADFEL-HNNXBMFYSA-N 0 0 341.367 3.426 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000361287136 457679937 /nfs/dbraw/zinc/67/99/37/457679937.db2.gz JUGIBWHTENZFFZ-LLVKDONJSA-N 0 0 331.372 3.289 10 5 EGBERN C[C@@H](COCc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000361313616 457689850 /nfs/dbraw/zinc/68/98/50/457689850.db2.gz MVVOLPZQAJOCIM-NSHDSACASA-N 0 0 332.385 3.321 10 5 EGBERN Cc1ccc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000374700058 457690747 /nfs/dbraw/zinc/69/07/47/457690747.db2.gz MQMSHMIMUIJRCQ-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1C(F)(F)F ZINC000361337754 457698382 /nfs/dbraw/zinc/69/83/82/457698382.db2.gz XSLVXTVEHWPJPL-UHFFFAOYSA-N 0 0 330.218 3.468 10 5 EGBERN O=C(Cn1ncc2ccccc21)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000361343434 457699717 /nfs/dbraw/zinc/69/97/17/457699717.db2.gz BTYQJCOYOQXFEN-UHFFFAOYSA-N 0 0 347.334 3.131 10 5 EGBERN CSCCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000357849883 457711657 /nfs/dbraw/zinc/71/16/57/457711657.db2.gz QYVOZWMPDFNKIE-UHFFFAOYSA-N 0 0 328.409 3.271 10 5 EGBERN Cc1nc([C@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)no1 ZINC000370933436 457739556 /nfs/dbraw/zinc/73/95/56/457739556.db2.gz CUOKXQHPBMMTMG-JOZWUWCOSA-N 0 0 342.355 3.053 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365331328 457743693 /nfs/dbraw/zinc/74/36/93/457743693.db2.gz ZYFOGNLQOAVKBK-ZDUSSCGKSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000370963109 457745940 /nfs/dbraw/zinc/74/59/40/457745940.db2.gz SGTUVKBBSILFOH-SNVBAGLBSA-N 0 0 336.373 3.024 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(CC)ncnc1CC ZINC000410818534 457757899 /nfs/dbraw/zinc/75/78/99/457757899.db2.gz NUBNNQXUMVZING-UHFFFAOYSA-N 0 0 344.371 3.161 10 5 EGBERN C[C@@H]1CN(Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000443517580 457775027 /nfs/dbraw/zinc/77/50/27/457775027.db2.gz ISZUAKRELDLQBT-TXEJJXNPSA-N 0 0 348.428 3.404 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411039968 457782365 /nfs/dbraw/zinc/78/23/65/457782365.db2.gz ZSZJFGVBMITTSN-DYVFJYSZSA-N 0 0 349.431 3.208 10 5 EGBERN COC[C@@H]1CCCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411079709 457794751 /nfs/dbraw/zinc/79/47/51/457794751.db2.gz GYCBOKOYRCUMLO-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443759673 457810037 /nfs/dbraw/zinc/81/00/37/457810037.db2.gz HXCWVSKIKYWCKX-BBRMVZONSA-N 0 0 340.445 3.325 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443778091 457810124 /nfs/dbraw/zinc/81/01/24/457810124.db2.gz XVKCPVISIOABNB-KGLIPLIRSA-N 0 0 340.445 3.231 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443763079 457810214 /nfs/dbraw/zinc/81/02/14/457810214.db2.gz YPLCODJJDAOXOT-SWLSCSKDSA-N 0 0 340.445 3.229 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426618467 457863621 /nfs/dbraw/zinc/86/36/21/457863621.db2.gz FJSHCXGCQVQUPQ-VXGBXAGGSA-N 0 0 331.372 3.444 10 5 EGBERN CC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(=O)[O-] ZINC000426656392 457873345 /nfs/dbraw/zinc/87/33/45/457873345.db2.gz XVKNGLBHDFEJFJ-GFCCVEGCSA-N 0 0 332.356 3.445 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000426801059 457906362 /nfs/dbraw/zinc/90/63/62/457906362.db2.gz RVWMSBHUMIFXPR-SNVBAGLBSA-N 0 0 328.315 3.111 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000433910708 457907753 /nfs/dbraw/zinc/90/77/53/457907753.db2.gz XUVPUIFOLQNEAW-NSHDSACASA-N 0 0 345.321 3.387 10 5 EGBERN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000371435294 457928661 /nfs/dbraw/zinc/92/86/61/457928661.db2.gz BOCYCVWNHGERPD-STQMWFEESA-N 0 0 329.404 3.325 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432257 457929309 /nfs/dbraw/zinc/92/93/09/457929309.db2.gz YJNCYOCUKFTASX-GFCCVEGCSA-N 0 0 348.790 3.498 10 5 EGBERN CCc1nocc1CN(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000358346345 457947839 /nfs/dbraw/zinc/94/78/39/457947839.db2.gz JRKBZWMMSCJBGM-UHFFFAOYSA-N 0 0 337.763 3.379 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C)c1C(C)=O ZINC000427323853 457973108 /nfs/dbraw/zinc/97/31/08/457973108.db2.gz ZIMCJCQGIMQDGK-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000367853923 457987684 /nfs/dbraw/zinc/98/76/84/457987684.db2.gz GXCZYNDFHGCXEC-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000375724410 458038180 /nfs/dbraw/zinc/03/81/80/458038180.db2.gz LBGHSCOLTVUCIK-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1cccc(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000427985127 458060964 /nfs/dbraw/zinc/06/09/64/458060964.db2.gz ZYLRGQOTJJFWCK-UHFFFAOYSA-N 0 0 337.383 3.106 10 5 EGBERN COC(=O)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000434958814 458069843 /nfs/dbraw/zinc/06/98/43/458069843.db2.gz HRYLGMFAQXIFPU-ZDUSSCGKSA-N 0 0 349.774 3.320 10 5 EGBERN O=C(Nc1nc2cc(F)ccc2[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428042998 458071317 /nfs/dbraw/zinc/07/13/17/458071317.db2.gz OBYWQHJSYZCWTF-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000412218411 458131760 /nfs/dbraw/zinc/13/17/60/458131760.db2.gz RZLHNLKDTGUEGN-GJZGRUSLSA-N 0 0 348.399 3.023 10 5 EGBERN C[C@H]1N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000412261911 458147057 /nfs/dbraw/zinc/14/70/57/458147057.db2.gz XFWGHXRHUSPIQR-XOKHGSTOSA-N 0 0 344.411 3.116 10 5 EGBERN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000371991933 458152722 /nfs/dbraw/zinc/15/27/22/458152722.db2.gz MUDXEKYPHPJRLX-CYBMUJFWSA-N 0 0 346.412 3.158 10 5 EGBERN Cc1n[nH]cc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000375996611 458156011 /nfs/dbraw/zinc/15/60/11/458156011.db2.gz VTYRQRXXDCFMOF-UHFFFAOYSA-N 0 0 334.401 3.016 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@H](C)O1 ZINC000446614440 458204598 /nfs/dbraw/zinc/20/45/98/458204598.db2.gz VYNDQAZTXAQTCW-WOPDTQHZSA-N 0 0 338.379 3.036 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459078288 458261296 /nfs/dbraw/zinc/26/12/96/458261296.db2.gz FAGNHVWLLJXIBN-HOCLYGCPSA-N 0 0 329.400 3.315 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000373053869 458387528 /nfs/dbraw/zinc/38/75/28/458387528.db2.gz ABEBFQXKFYPRDZ-CQSZACIVSA-N 0 0 348.790 3.199 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000430678751 458479196 /nfs/dbraw/zinc/47/91/96/458479196.db2.gz KEJHXAHSTFLORV-ZDUSSCGKSA-N 0 0 346.383 3.321 10 5 EGBERN CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460315797 458510223 /nfs/dbraw/zinc/51/02/23/458510223.db2.gz YPWGGEUQIVRMCD-SWLSCSKDSA-N 0 0 329.404 3.498 10 5 EGBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000373716063 458581954 /nfs/dbraw/zinc/58/19/54/458581954.db2.gz RWNJYAPOSCYEEE-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3C[C@H](c4ccc(F)cc4)C3)[nH]c2c1 ZINC000431510194 458583682 /nfs/dbraw/zinc/58/36/82/458583682.db2.gz XSPSUHIFKCQRSV-AULYBMBSSA-N 0 0 326.331 3.390 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CO)(c3ccccc3)CC2)n1 ZINC000431508678 458583697 /nfs/dbraw/zinc/58/36/97/458583697.db2.gz AETVGPDSOLHKOA-UHFFFAOYSA-N 0 0 341.411 3.137 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493884287 458595490 /nfs/dbraw/zinc/59/54/90/458595490.db2.gz XNNSLMQSNUFFIZ-GWCFXTLKSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000462498622 458626292 /nfs/dbraw/zinc/62/62/92/458626292.db2.gz BUJVFEYUMTXXKN-UONOGXRCSA-N 0 0 338.429 3.150 10 5 EGBERN COc1cc(C)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000470301750 458628465 /nfs/dbraw/zinc/62/84/65/458628465.db2.gz HYFMOBSLNHDAAS-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438933887 458630977 /nfs/dbraw/zinc/63/09/77/458630977.db2.gz GLLMGQJFTNJOII-ZWNOBZJWSA-N 0 0 326.780 3.102 10 5 EGBERN CCCN(CCc1cccc(F)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502354588 458646014 /nfs/dbraw/zinc/64/60/14/458646014.db2.gz WOMDYKWWOWDUDZ-UHFFFAOYSA-N 0 0 343.362 3.236 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439276535 458683497 /nfs/dbraw/zinc/68/34/97/458683497.db2.gz QKEXKNCSKRESGR-NWDGAFQWSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456626288 458734837 /nfs/dbraw/zinc/73/48/37/458734837.db2.gz RINXZPQKDZHRPG-QGZVFWFLSA-N 0 0 326.352 3.484 10 5 EGBERN CO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000456648870 458740699 /nfs/dbraw/zinc/74/06/99/458740699.db2.gz QOYXQYWOJXQSQN-HOTGVXAUSA-N 0 0 343.383 3.106 10 5 EGBERN CO[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000456648871 458740814 /nfs/dbraw/zinc/74/08/14/458740814.db2.gz QOYXQYWOJXQSQN-HZPDHXFCSA-N 0 0 343.383 3.106 10 5 EGBERN CC(C)(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000530287237 458741323 /nfs/dbraw/zinc/74/13/23/458741323.db2.gz KPYHZOKBSFOOMB-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cnccc1C ZINC000439864076 458760420 /nfs/dbraw/zinc/76/04/20/458760420.db2.gz DBNQAAHHIVOHFU-UHFFFAOYSA-N 0 0 344.371 3.361 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000472174604 458771141 /nfs/dbraw/zinc/77/11/41/458771141.db2.gz SCCBFWSKRTZOLJ-JQWIXIFHSA-N 0 0 345.321 3.386 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1C(F)(F)F ZINC000547739574 458783562 /nfs/dbraw/zinc/78/35/62/458783562.db2.gz JBDHIDKXHCQGBW-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COC(=O)c1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000547767795 458788987 /nfs/dbraw/zinc/78/89/87/458788987.db2.gz JYWFNIQQYUVSII-NSHDSACASA-N 0 0 332.331 3.371 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000457090974 458862485 /nfs/dbraw/zinc/86/24/85/458862485.db2.gz RIZPBYPZRIGSMM-GFCCVEGCSA-N 0 0 340.807 3.066 10 5 EGBERN COC(=O)c1cc(N[C@H](C)CCc2cccn2C)cc(C)c1[N+](=O)[O-] ZINC000474772459 458900362 /nfs/dbraw/zinc/90/03/62/458900362.db2.gz DQHAGDQYPMZLDC-CYBMUJFWSA-N 0 0 345.399 3.462 10 5 EGBERN COC(=O)c1cc(N[C@H](C)Cc2ccncc2)cc(C)c1[N+](=O)[O-] ZINC000474790493 458901050 /nfs/dbraw/zinc/90/10/50/458901050.db2.gz MOTBSKZEHMKQGP-GFCCVEGCSA-N 0 0 329.356 3.128 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000474870086 458904345 /nfs/dbraw/zinc/90/43/45/458904345.db2.gz RJEOZYBGXNGEFZ-AWEZNQCLSA-N 0 0 332.743 3.420 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)cc1[N+](=O)[O-] ZINC000531464717 458922146 /nfs/dbraw/zinc/92/21/46/458922146.db2.gz KIOODXYZDGTALR-NSHDSACASA-N 0 0 340.339 3.377 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)C1 ZINC000441429302 458941647 /nfs/dbraw/zinc/94/16/47/458941647.db2.gz OOVJZEWKZCYZFB-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN C[C@H]1CC[C@@H](CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000577096108 458979357 /nfs/dbraw/zinc/97/93/57/458979357.db2.gz IZDADAXCWSBGDY-WFASDCNBSA-N 0 0 345.399 3.083 10 5 EGBERN C[C@@H](O)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442725189 459027183 /nfs/dbraw/zinc/02/71/83/459027183.db2.gz UJKOJUXLIODECF-GFCCVEGCSA-N 0 0 346.408 3.247 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000567092739 459046584 /nfs/dbraw/zinc/04/65/84/459046584.db2.gz ANHKPHKRUSVLEM-MRXNPFEDSA-N 0 0 339.395 3.343 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000590037913 459070159 /nfs/dbraw/zinc/07/01/59/459070159.db2.gz OSQXZGCYNJLGQF-LLVKDONJSA-N 0 0 342.342 3.103 10 5 EGBERN Nc1cc(N2CCC[C@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590061520 459074811 /nfs/dbraw/zinc/07/48/11/459074811.db2.gz ZHMZXNRTEFVHFZ-AWEZNQCLSA-N 0 0 327.384 3.053 10 5 EGBERN CC1CCN(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000443022398 459076623 /nfs/dbraw/zinc/07/66/23/459076623.db2.gz IHYXXCNGVPEUMJ-UHFFFAOYSA-N 0 0 347.415 3.290 10 5 EGBERN CC(C)(C)n1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)n1 ZINC000594532289 459081610 /nfs/dbraw/zinc/08/16/10/459081610.db2.gz MAYYGOCDGWRECS-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN COC(=O)c1cc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc([N+](=O)[O-])c1 ZINC000594535807 459083179 /nfs/dbraw/zinc/08/31/79/459083179.db2.gz JFLBCVDRMVOICZ-FZQKWOKYSA-N 0 0 343.339 3.335 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)c2ccc(C)cc2)n1 ZINC000557588966 459088834 /nfs/dbraw/zinc/08/88/34/459088834.db2.gz SERRIECCORTGIX-GFCCVEGCSA-N 0 0 329.356 3.300 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594563948 459091848 /nfs/dbraw/zinc/09/18/48/459091848.db2.gz HXBNZAAAIWISPQ-KOMQPUFPSA-N 0 0 349.431 3.125 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000590145544 459092465 /nfs/dbraw/zinc/09/24/65/459092465.db2.gz JQUWAORLNFRQHJ-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000594581560 459096156 /nfs/dbraw/zinc/09/61/56/459096156.db2.gz DHKWHLUGGWIGFX-AWEZNQCLSA-N 0 0 349.406 3.197 10 5 EGBERN O=c1[nH]c(N[C@@H](C2CC2)[C@@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000594589135 459099646 /nfs/dbraw/zinc/09/96/46/459099646.db2.gz CBAFFHADCVDPFV-GJZGRUSLSA-N 0 0 344.371 3.003 10 5 EGBERN CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCCCO1 ZINC000594598010 459104038 /nfs/dbraw/zinc/10/40/38/459104038.db2.gz FXHRGSGFTXMQID-BLLLJJGKSA-N 0 0 333.388 3.239 10 5 EGBERN CC[C@@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594601262 459106230 /nfs/dbraw/zinc/10/62/30/459106230.db2.gz NBMUSONYHUJNGF-PBHICJAKSA-N 0 0 349.431 3.493 10 5 EGBERN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC2(CCCCC2)O1 ZINC000594601084 459106578 /nfs/dbraw/zinc/10/65/78/459106578.db2.gz SVPFAIOQKTUZSA-ZDUSSCGKSA-N 0 0 342.399 3.466 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590392771 459122045 /nfs/dbraw/zinc/12/20/45/459122045.db2.gz FURUUDWBRLSUQV-UHFFFAOYSA-N 0 0 331.372 3.264 10 5 EGBERN CC(C)(C)c1n[n-]c(=NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000558047445 459127938 /nfs/dbraw/zinc/12/79/38/459127938.db2.gz JNULLNGWKKSIIQ-UHFFFAOYSA-N 0 0 345.428 3.302 10 5 EGBERN CC(C)(C)OCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000521216684 459131038 /nfs/dbraw/zinc/13/10/38/459131038.db2.gz UBPWRDCDTWHIST-UHFFFAOYSA-N 0 0 347.318 3.133 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594710731 459136075 /nfs/dbraw/zinc/13/60/75/459136075.db2.gz HKBUUJACIYFJGL-GFCCVEGCSA-N 0 0 341.367 3.107 10 5 EGBERN CCC(=O)c1ccc(NCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000479965880 459174970 /nfs/dbraw/zinc/17/49/70/459174970.db2.gz NKHMHYNOWZHSKV-UHFFFAOYSA-N 0 0 333.388 3.048 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480058280 459180450 /nfs/dbraw/zinc/18/04/50/459180450.db2.gz WQCOPJXKPQHXSB-INIZCTEOSA-N 0 0 349.431 3.394 10 5 EGBERN Cc1ccc(C2(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)c(C)c1 ZINC000590706987 459190375 /nfs/dbraw/zinc/19/03/75/459190375.db2.gz ZRPAPMSDSGUJCY-UHFFFAOYSA-N 0 0 341.411 3.430 10 5 EGBERN CCOC(=O)c1ccnc(NCC(C)(C)C(F)(F)F)c1[N+](=O)[O-] ZINC000558689401 459196651 /nfs/dbraw/zinc/19/66/51/459196651.db2.gz XZZHYMKOGRDEHS-UHFFFAOYSA-N 0 0 335.282 3.167 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000578417163 459196772 /nfs/dbraw/zinc/19/67/72/459196772.db2.gz ZUSURVBRTGUXKW-HOCLYGCPSA-N 0 0 332.403 3.457 10 5 EGBERN CC(C)[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC12CCCC2 ZINC000590765905 459209635 /nfs/dbraw/zinc/20/96/35/459209635.db2.gz PREPNYLYFDSZAO-ZDUSSCGKSA-N 0 0 344.458 3.246 10 5 EGBERN COc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000590827766 459235461 /nfs/dbraw/zinc/23/54/61/459235461.db2.gz ZDZUGHFUXXHGQX-UHFFFAOYSA-N 0 0 330.344 3.055 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080164 459239510 /nfs/dbraw/zinc/23/95/10/459239510.db2.gz OEFFLJMHYXMAHX-ZFWWWQNUSA-N 0 0 336.342 3.053 10 5 EGBERN COC(=O)c1cc(N2CCC(C(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000481810679 459275732 /nfs/dbraw/zinc/27/57/32/459275732.db2.gz ACPURTKQXNXDDK-UHFFFAOYSA-N 0 0 328.315 3.171 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000559941047 459286036 /nfs/dbraw/zinc/28/60/36/459286036.db2.gz JRYPLJVFOTZGSV-SJORKVTESA-N 0 0 334.416 3.239 10 5 EGBERN CSc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000591072718 459305395 /nfs/dbraw/zinc/30/53/95/459305395.db2.gz QKWZTANDGULBGU-UONOGXRCSA-N 0 0 329.381 3.454 10 5 EGBERN COCCN(Cc1scnc1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595480094 459317333 /nfs/dbraw/zinc/31/73/33/459317333.db2.gz IMNQDWRXTXNMBK-UHFFFAOYSA-N 0 0 339.392 3.147 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595479240 459317590 /nfs/dbraw/zinc/31/75/90/459317590.db2.gz DSGWGVMHRKLRCT-WFASDCNBSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595480510 459318758 /nfs/dbraw/zinc/31/87/58/459318758.db2.gz LQQNFGJMOLALRG-GFCCVEGCSA-N 0 0 344.371 3.233 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000523731610 459326463 /nfs/dbraw/zinc/32/64/63/459326463.db2.gz VQXJRHFAISIGTQ-OLZOCXBDSA-N 0 0 348.399 3.312 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CCC2)C1 ZINC000595522539 459333530 /nfs/dbraw/zinc/33/35/30/459333530.db2.gz LZKNBAFYWNVENY-INIZCTEOSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000595532455 459336003 /nfs/dbraw/zinc/33/60/03/459336003.db2.gz WEZSOZOTNXGWCD-WMZOPIPTSA-N 0 0 348.349 3.034 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595545109 459341376 /nfs/dbraw/zinc/34/13/76/459341376.db2.gz OAYWSAQDAKMLJT-KBPBESRZSA-N 0 0 347.415 3.317 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595551649 459344763 /nfs/dbraw/zinc/34/47/63/459344763.db2.gz XVKKKOOUCHJECJ-HZMBPMFUSA-N 0 0 327.331 3.309 10 5 EGBERN Cc1noc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)c1[N+](=O)[O-] ZINC000595561293 459347223 /nfs/dbraw/zinc/34/72/23/459347223.db2.gz FDJRIEKDQFYUJF-MRXNPFEDSA-N 0 0 345.399 3.054 10 5 EGBERN Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCO2)ccc1F ZINC000582473285 459371633 /nfs/dbraw/zinc/37/16/33/459371633.db2.gz MZLLAGQPIAIWIE-OAHLLOKOSA-N 0 0 335.310 3.154 10 5 EGBERN CNc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000524694937 459380574 /nfs/dbraw/zinc/38/05/74/459380574.db2.gz JFXPIODZYDCUAD-DIFFPNOSSA-N 0 0 325.368 3.300 10 5 EGBERN COc1cccc(N2CC[C@H](Nc3nc(C)cc(C)c3[N+](=O)[O-])C2)c1 ZINC000541006149 459417509 /nfs/dbraw/zinc/41/75/09/459417509.db2.gz MTOOCAHOFHFPKP-AWEZNQCLSA-N 0 0 342.399 3.306 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000561192616 459429480 /nfs/dbraw/zinc/42/94/80/459429480.db2.gz SVCOGKXDMSNTDF-BONVTDFDSA-N 0 0 341.367 3.430 10 5 EGBERN Cc1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)nn1[C@H](C)C1CC1 ZINC000561274390 459438382 /nfs/dbraw/zinc/43/83/82/459438382.db2.gz DJLSJQSKZZJRJZ-SECBINFHSA-N 0 0 344.400 3.241 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C)(C2CC2)CC1 ZINC000569519042 459464083 /nfs/dbraw/zinc/46/40/83/459464083.db2.gz YNIOIZYBFNNNDX-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN O=C(CC[C@H]1CCCCO1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561771246 459483205 /nfs/dbraw/zinc/48/32/05/459483205.db2.gz UKRUMYPIZVOGND-OAHLLOKOSA-N 0 0 345.399 3.084 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596000559 459493080 /nfs/dbraw/zinc/49/30/80/459493080.db2.gz BZQBGUPMGACAMM-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN COCC1(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000591965888 459498919 /nfs/dbraw/zinc/49/89/19/459498919.db2.gz FQLOFGLVEXRYSS-UHFFFAOYSA-N 0 0 342.399 3.011 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000591972522 459500772 /nfs/dbraw/zinc/50/07/72/459500772.db2.gz RECNIGGEJDQMNL-RYUDHWBXSA-N 0 0 338.371 3.399 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@H]2CCCC[C@H]12 ZINC000583231418 459505814 /nfs/dbraw/zinc/50/58/14/459505814.db2.gz LZNBJBRHHGPTTJ-WQVCFCJDSA-N 0 0 341.415 3.405 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000486531370 459508537 /nfs/dbraw/zinc/50/85/37/459508537.db2.gz HYEQPPDFDNAVGT-LSDHHAIUSA-N 0 0 346.427 3.148 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000569828238 459517779 /nfs/dbraw/zinc/51/77/79/459517779.db2.gz HEBJGFFRZGLPOO-GOSISDBHSA-N 0 0 343.358 3.375 10 5 EGBERN Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596099031 459520245 /nfs/dbraw/zinc/52/02/45/459520245.db2.gz XGICCNQVRFEWNS-GFCCVEGCSA-N 0 0 339.461 3.342 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596139607 459534885 /nfs/dbraw/zinc/53/48/85/459534885.db2.gz MORQMCBEJKNHAA-UHFFFAOYSA-N 0 0 345.355 3.263 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000542303220 459544774 /nfs/dbraw/zinc/54/47/74/459544774.db2.gz JYYBEDILWUQYIL-FZKQIMNGSA-N 0 0 347.415 3.325 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596182125 459551434 /nfs/dbraw/zinc/55/14/34/459551434.db2.gz OIMGXBMAORPOIJ-NXEZZACHSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596187750 459554263 /nfs/dbraw/zinc/55/42/63/459554263.db2.gz WZVSYVDOWHWDPS-UWVGGRQHSA-N 0 0 342.779 3.262 10 5 EGBERN COc1cc(N2CC[C@@]3(C2)CCCOC3)c(Cl)cc1[N+](=O)[O-] ZINC000596225123 459566564 /nfs/dbraw/zinc/56/65/64/459566564.db2.gz JZNFEUIPPQFTML-OAHLLOKOSA-N 0 0 326.780 3.264 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000596225687 459567182 /nfs/dbraw/zinc/56/71/82/459567182.db2.gz GBUNSNBAGYJNPZ-PWSUYJOCSA-N 0 0 347.758 3.398 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H](OC(F)F)C1 ZINC000596225809 459567232 /nfs/dbraw/zinc/56/72/32/459567232.db2.gz HWLMYEZTXBVFJD-ZETCQYMHSA-N 0 0 337.120 3.175 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596242231 459572173 /nfs/dbraw/zinc/57/21/73/459572173.db2.gz RVTLMTVESJDBLK-HNNXBMFYSA-N 0 0 342.779 3.262 10 5 EGBERN O=C1CC(C2CCCC2)CC(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000596307372 459590646 /nfs/dbraw/zinc/59/06/46/459590646.db2.gz LJYXLFKSFGIJTQ-UHFFFAOYSA-N 0 0 334.347 3.189 10 5 EGBERN CCOc1cc(NCc2ccc(CNC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000596317920 459594301 /nfs/dbraw/zinc/59/43/01/459594301.db2.gz PVSULTFNCXVIHJ-UHFFFAOYSA-N 0 0 343.383 3.242 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ncnn21 ZINC000596344069 459602296 /nfs/dbraw/zinc/60/22/96/459602296.db2.gz CQYMKOQUAGYKCE-XVKPBYJWSA-N 0 0 327.266 3.323 10 5 EGBERN COCCC1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000596358054 459606698 /nfs/dbraw/zinc/60/66/98/459606698.db2.gz RCLDDKHIXKFLDR-UHFFFAOYSA-N 0 0 340.379 3.299 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596365893 459609721 /nfs/dbraw/zinc/60/97/21/459609721.db2.gz LHBWQYDPZDEUTF-BNMUBRSASA-N 0 0 346.836 3.358 10 5 EGBERN CCc1nn(C)c(NCCc2ccnc3ccccc23)c1[N+](=O)[O-] ZINC000596424222 459632530 /nfs/dbraw/zinc/63/25/30/459632530.db2.gz HOGNVOJEELTEDT-UHFFFAOYSA-N 0 0 325.372 3.094 10 5 EGBERN COCC1(C2CCC2)CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596443037 459638183 /nfs/dbraw/zinc/63/81/83/459638183.db2.gz WLBIINCJYYQADA-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CC[C@@H](NC(=O)N1CCO[C@](C)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451827 459641727 /nfs/dbraw/zinc/64/17/27/459641727.db2.gz CKVIVCHFIWTJQM-AEFFLSMTSA-N 0 0 347.415 3.256 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000596470815 459647749 /nfs/dbraw/zinc/64/77/49/459647749.db2.gz QPVQUXSPHZPGJA-KOLCDFICSA-N 0 0 327.768 3.327 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](CCF)C1 ZINC000596481462 459651146 /nfs/dbraw/zinc/65/11/46/459651146.db2.gz XFJBLKPLHLESDN-SECBINFHSA-N 0 0 332.173 3.328 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000596480048 459651117 /nfs/dbraw/zinc/65/11/17/459651117.db2.gz YXSIKVOIMFERIB-VHSXEESVSA-N 0 0 342.779 3.404 10 5 EGBERN CC(=O)c1ccc(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000596486541 459653210 /nfs/dbraw/zinc/65/32/10/459653210.db2.gz MLQGXXVSFFMMKI-JKSUJKDBSA-N 0 0 342.399 3.354 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000596502882 459658752 /nfs/dbraw/zinc/65/87/52/459658752.db2.gz HBWRISOEWOEIAJ-SKDRFNHKSA-N 0 0 347.293 3.168 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000596502770 459658890 /nfs/dbraw/zinc/65/88/90/459658890.db2.gz IRWAIDLPFPGXQH-WMLDXEAASA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000592676517 459662425 /nfs/dbraw/zinc/66/24/25/459662425.db2.gz KZWDYXNJKJKIME-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000596515518 459663089 /nfs/dbraw/zinc/66/30/89/459663089.db2.gz ZDAKZICVDKFZOE-CABZTGNLSA-N 0 0 347.293 3.168 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000592677142 459663239 /nfs/dbraw/zinc/66/32/39/459663239.db2.gz VGQBKQSKVQFOFA-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000592681095 459664120 /nfs/dbraw/zinc/66/41/20/459664120.db2.gz ICHPFSQWTULASJ-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCC1(O)CCC(F)(F)CC1 ZINC000596528418 459666530 /nfs/dbraw/zinc/66/65/30/459666530.db2.gz UBNOILLCUPCDIE-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1nsc2ccccc21 ZINC000596527131 459666833 /nfs/dbraw/zinc/66/68/33/459666833.db2.gz VFYSXBVAUZZNJW-UHFFFAOYSA-N 0 0 331.401 3.384 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC2CCC1CC2 ZINC000500154565 459666923 /nfs/dbraw/zinc/66/69/23/459666923.db2.gz HEGZQXLBWXHBDT-XUJLQICISA-N 0 0 331.416 3.357 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1(c2ccccc2F)CCC1 ZINC000592689176 459666941 /nfs/dbraw/zinc/66/69/41/459666941.db2.gz FPLFLGVUEXFODJ-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN CCOc1cc(N2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000596535100 459668992 /nfs/dbraw/zinc/66/89/92/459668992.db2.gz TUTSPPQYFDGRHL-UHFFFAOYSA-N 0 0 330.340 3.098 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592697182 459669496 /nfs/dbraw/zinc/66/94/96/459669496.db2.gz RBWLVNIUMFPPAQ-BETUJISGSA-N 0 0 335.404 3.103 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)nc2sccn21 ZINC000596538239 459669851 /nfs/dbraw/zinc/66/98/51/459669851.db2.gz AXOATEMHAGBNHG-GRYCIOLGSA-N 0 0 330.344 3.193 10 5 EGBERN C[C@]1(C(F)F)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596570969 459681371 /nfs/dbraw/zinc/68/13/71/459681371.db2.gz BOOYZZPFDXGFSH-CYBMUJFWSA-N 0 0 338.257 3.057 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770753 459687084 /nfs/dbraw/zinc/68/70/84/459687084.db2.gz CNLLZZVHWKNLHN-KBPBESRZSA-N 0 0 344.415 3.491 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1CCC(F)CC1 ZINC000592902133 459717005 /nfs/dbraw/zinc/71/70/05/459717005.db2.gz PSMPUKYGWQWIHA-UHFFFAOYSA-N 0 0 336.363 3.202 10 5 EGBERN O=C([O-])[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000596656516 459717240 /nfs/dbraw/zinc/71/72/40/459717240.db2.gz FDLDZYDTSZFSDJ-INIZCTEOSA-N 0 0 344.367 3.445 10 5 EGBERN Cc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]c1C(C)C ZINC000592950129 459722821 /nfs/dbraw/zinc/72/28/21/459722821.db2.gz LIDTUDJLFMPHDK-UHFFFAOYSA-N 0 0 331.376 3.190 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(CC2CC2)nc1C ZINC000584411899 459731541 /nfs/dbraw/zinc/73/15/41/459731541.db2.gz JSSNNMRDCLCXIP-UHFFFAOYSA-N 0 0 330.344 3.138 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)c2ccccc2N(C)C)c1 ZINC000593022806 459743636 /nfs/dbraw/zinc/74/36/36/459743636.db2.gz KTKYFBOLJSRCHE-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN CN(CCc1ccc(F)cc1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000544410317 459756701 /nfs/dbraw/zinc/75/67/01/459756701.db2.gz GORMLQNIHDPULT-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584513265 459758941 /nfs/dbraw/zinc/75/89/41/459758941.db2.gz UOYJRBUWAOXAED-UHFFFAOYSA-N 0 0 338.367 3.457 10 5 EGBERN Cc1ccc(NC(=O)N[C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000573997761 459767635 /nfs/dbraw/zinc/76/76/35/459767635.db2.gz KREBAEZJGCYMIQ-CQSZACIVSA-N 0 0 345.330 3.168 10 5 EGBERN CC(C)[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1F ZINC000596815560 459768954 /nfs/dbraw/zinc/76/89/54/459768954.db2.gz BRCQTDCSMUDYBN-OAHLLOKOSA-N 0 0 332.335 3.070 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000593103049 459774152 /nfs/dbraw/zinc/77/41/52/459774152.db2.gz CGLCQQIPUXLGIL-UHFFFAOYSA-N 0 0 343.358 3.078 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000596837392 459774543 /nfs/dbraw/zinc/77/45/43/459774543.db2.gz UFJQUUBKNUDYMO-DYVFJYSZSA-N 0 0 343.383 3.455 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000596837394 459775204 /nfs/dbraw/zinc/77/52/04/459775204.db2.gz UFJQUUBKNUDYMO-SUMWQHHRSA-N 0 0 343.383 3.455 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000584652959 459778566 /nfs/dbraw/zinc/77/85/66/459778566.db2.gz YSCDLEGNICQERG-XYPYZODXSA-N 0 0 326.324 3.168 10 5 EGBERN O=[N+]([O-])c1cc2oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3c2cc1[N+](=O)[O-] ZINC000584657170 459779335 /nfs/dbraw/zinc/77/93/35/459779335.db2.gz XPSNDYYGVRTTMZ-UHFFFAOYSA-N 0 0 348.183 3.219 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596867592 459782694 /nfs/dbraw/zinc/78/26/94/459782694.db2.gz QTMNLMJJYUODGC-QGZVFWFLSA-N 0 0 333.388 3.244 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C2(O)CC2)CC1 ZINC000593136358 459785073 /nfs/dbraw/zinc/78/50/73/459785073.db2.gz QRNATVJUGDGOMG-UHFFFAOYSA-N 0 0 339.779 3.017 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000596912583 459793868 /nfs/dbraw/zinc/79/38/68/459793868.db2.gz JYMXUVGQSXLGII-PXAZEXFGSA-N 0 0 343.383 3.401 10 5 EGBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593214666 459810270 /nfs/dbraw/zinc/81/02/70/459810270.db2.gz QPFFWTUIBKYHFK-UHFFFAOYSA-N 0 0 347.758 3.480 10 5 EGBERN Cc1cc(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000566160692 459817096 /nfs/dbraw/zinc/81/70/96/459817096.db2.gz OKDOGZJXVZTCOW-AAEUAGOBSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1ncc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000545254234 459817879 /nfs/dbraw/zinc/81/78/79/459817879.db2.gz YUHOKEVWCHDXME-JTQLQIEISA-N 0 0 326.356 3.313 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000545350202 459826812 /nfs/dbraw/zinc/82/68/12/459826812.db2.gz MBGLKGSEBYKKCV-HDJSIYSDSA-N 0 0 346.408 3.128 10 5 EGBERN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593295437 459832617 /nfs/dbraw/zinc/83/26/17/459832617.db2.gz LGVFMJLCRZOXKZ-LLVKDONJSA-N 0 0 346.305 3.255 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000593321461 459841693 /nfs/dbraw/zinc/84/16/93/459841693.db2.gz XEYXUPQJGNSHPP-LLVKDONJSA-N 0 0 338.791 3.340 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598295008 459851497 /nfs/dbraw/zinc/85/14/97/459851497.db2.gz DFIWPTYUZLNAGN-LSDHHAIUSA-N 0 0 332.400 3.451 10 5 EGBERN C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H](C)O1 ZINC000598298933 459853133 /nfs/dbraw/zinc/85/31/33/459853133.db2.gz XSKOSBLUIAWBIA-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN CSc1cccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000593354446 459858495 /nfs/dbraw/zinc/85/84/95/459858495.db2.gz RXGUECHUVQSNNR-CYBMUJFWSA-N 0 0 328.340 3.188 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000598317810 459864050 /nfs/dbraw/zinc/86/40/50/459864050.db2.gz NXTRSOAUFIZKJF-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CCCC2=O)CC1 ZINC000598323045 459865622 /nfs/dbraw/zinc/86/56/22/459865622.db2.gz FHWFQMIASRSEMB-UHFFFAOYSA-N 0 0 341.367 3.052 10 5 EGBERN CSc1ccc(C(=O)NC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598340294 459871914 /nfs/dbraw/zinc/87/19/14/459871914.db2.gz ISTCQPGERPMALR-NSHDSACASA-N 0 0 330.356 3.338 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000598350024 459875474 /nfs/dbraw/zinc/87/54/74/459875474.db2.gz LITVMWPKYHWDAQ-LSDHHAIUSA-N 0 0 334.397 3.144 10 5 EGBERN Cc1c(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000598354098 459877367 /nfs/dbraw/zinc/87/73/67/459877367.db2.gz VSLRRXAWMGNFKO-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000598354056 459877431 /nfs/dbraw/zinc/87/74/31/459877431.db2.gz UYWCWQUORPCUDD-SJORKVTESA-N 0 0 346.358 3.222 10 5 EGBERN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000598365235 459880347 /nfs/dbraw/zinc/88/03/47/459880347.db2.gz UYVMTKMLFBWPBJ-WHXUTIOJSA-N 0 0 344.333 3.449 10 5 EGBERN C[C@@H](C(=O)N1CCC(c2ccon2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598399777 459889749 /nfs/dbraw/zinc/88/97/49/459889749.db2.gz UONACEITDXWUSP-LLVKDONJSA-N 0 0 347.346 3.232 10 5 EGBERN CC(C)OCc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587132993 459891188 /nfs/dbraw/zinc/89/11/88/459891188.db2.gz IEVKYSTWAVGHMZ-UHFFFAOYSA-N 0 0 345.399 3.206 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000597241366 459892222 /nfs/dbraw/zinc/89/22/22/459892222.db2.gz DQAGIIZZUFWQQL-BXUZGUMPSA-N 0 0 332.322 3.445 10 5 EGBERN Cc1ccc2c(CCNc3cc(N)c([N+](=O)[O-])c(CO)c3)c[nH]c2c1 ZINC000587630348 459893022 /nfs/dbraw/zinc/89/30/22/459893022.db2.gz BHMMKWQCHAQUCV-UHFFFAOYSA-N 0 0 340.383 3.114 10 5 EGBERN Nc1cc(N[C@H]2CCc3c2cccc3Cl)cc(CO)c1[N+](=O)[O-] ZINC000587454998 459893205 /nfs/dbraw/zinc/89/32/05/459893205.db2.gz RNYSMMASQLWCSM-HNNXBMFYSA-N 0 0 333.775 3.422 10 5 EGBERN CC(C)COc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587459573 459893358 /nfs/dbraw/zinc/89/33/58/459893358.db2.gz HVEHLUCTXKYDNX-UHFFFAOYSA-N 0 0 345.399 3.316 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587977861 459896934 /nfs/dbraw/zinc/89/69/34/459896934.db2.gz KPVNQWBRBBNUFC-LJQANCHMSA-N 0 0 341.411 3.227 10 5 EGBERN CC(C)=CCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574939022 459897777 /nfs/dbraw/zinc/89/77/77/459897777.db2.gz YARJOQDRXPUXEL-UHFFFAOYSA-N 0 0 330.388 3.274 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982120 459898120 /nfs/dbraw/zinc/89/81/20/459898120.db2.gz BMGHHYXAPHTTNV-KBPBESRZSA-N 0 0 341.411 3.360 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CCOC2(CCOCC2)C1 ZINC000593467397 459898173 /nfs/dbraw/zinc/89/81/73/459898173.db2.gz PXJZGNKSHLKCLN-CYBMUJFWSA-N 0 0 343.383 3.283 10 5 EGBERN CN(Cc1cc2ccccc2o1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587990241 459898992 /nfs/dbraw/zinc/89/89/92/459898992.db2.gz DNHQHUZKJPWXOP-UHFFFAOYSA-N 0 0 327.340 3.052 10 5 EGBERN Nc1cc(NCC2(Cc3ccccc3)CCC2)cc(CO)c1[N+](=O)[O-] ZINC000587996382 459900056 /nfs/dbraw/zinc/90/00/56/459900056.db2.gz XUXZIAKCJSVTHA-UHFFFAOYSA-N 0 0 341.411 3.494 10 5 EGBERN CC1=CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264891 459900230 /nfs/dbraw/zinc/90/02/30/459900230.db2.gz NQWOUIAIDDOFGP-KSSFIOAISA-N 0 0 344.415 3.139 10 5 EGBERN CCN(C)C(=O)[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000593476541 459900476 /nfs/dbraw/zinc/90/04/76/459900476.db2.gz UYXRWKMPDGCRMW-INIZCTEOSA-N 0 0 330.388 3.058 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCCC[C@@H]2CCCC[C@H]2O)s1 ZINC000588002726 459900579 /nfs/dbraw/zinc/90/05/79/459900579.db2.gz FPNATPWVEGROFI-CMPLNLGQSA-N 0 0 336.417 3.343 10 5 EGBERN C[C@@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCc2ccccc21 ZINC000588012265 459902012 /nfs/dbraw/zinc/90/20/12/459902012.db2.gz KUUXGWCLDZUZQI-IBGZPJMESA-N 0 0 341.411 3.375 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000597281900 459903677 /nfs/dbraw/zinc/90/36/77/459903677.db2.gz IOMNJZKEDVNCNH-RRFJBIMHSA-N 0 0 331.416 3.258 10 5 EGBERN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@H]1C(F)(F)F ZINC000588031573 459904155 /nfs/dbraw/zinc/90/41/55/459904155.db2.gz WBYCGUADCNQRCO-GFCCVEGCSA-N 0 0 347.337 3.084 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H](OC(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000593487544 459904229 /nfs/dbraw/zinc/90/42/29/459904229.db2.gz REEGRESGFCIJRW-CQSZACIVSA-N 0 0 336.388 3.084 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N(CCC1CC1)CC1CC1 ZINC000598466619 459905070 /nfs/dbraw/zinc/90/50/70/459905070.db2.gz QVLSDSLFKDULDR-UHFFFAOYSA-N 0 0 332.400 3.402 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CC3)C3CCOCC3)cc2N1 ZINC000593490323 459905483 /nfs/dbraw/zinc/90/54/83/459905483.db2.gz BAWOXHNDWVOWOT-GOSISDBHSA-N 0 0 345.399 3.097 10 5 EGBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000598472077 459907302 /nfs/dbraw/zinc/90/73/02/459907302.db2.gz VTFSBHBAGMDAID-QGZVFWFLSA-N 0 0 325.368 3.414 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593520963 459914320 /nfs/dbraw/zinc/91/43/20/459914320.db2.gz QSQMBCDTQCNVNB-LBPRGKRZSA-N 0 0 333.775 3.436 10 5 EGBERN C[C@H](c1noc(-c2cc([N+](=O)[O-])cn2C)n1)c1c(F)cccc1F ZINC000546419396 459917890 /nfs/dbraw/zinc/91/78/90/459917890.db2.gz JQTGWDPTSKMDJX-QMMMGPOBSA-N 0 0 334.282 3.413 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)n(C)n1 ZINC000618172969 459919990 /nfs/dbraw/zinc/91/99/90/459919990.db2.gz MCRPBHXSSWKCKY-LBPRGKRZSA-N 0 0 349.822 3.371 10 5 EGBERN Cc1c(Cc2noc(C(=O)c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] ZINC000546488304 459924959 /nfs/dbraw/zinc/92/49/59/459924959.db2.gz GGAXMSURQZUIGB-UHFFFAOYSA-N 0 0 341.298 3.247 10 5 EGBERN CC[C@H](NC(=O)C[C@@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000597352899 459926058 /nfs/dbraw/zinc/92/60/58/459926058.db2.gz ZFKZAKRBRFAKIZ-CJNGLKHVSA-N 0 0 330.388 3.318 10 5 EGBERN COc1ccc(NC(=O)C2CCC(C(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000593599401 459931648 /nfs/dbraw/zinc/93/16/48/459931648.db2.gz TWJKQANRRXJVQB-UHFFFAOYSA-N 0 0 336.388 3.119 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598540619 459933680 /nfs/dbraw/zinc/93/36/80/459933680.db2.gz QWAURHVAYQMQJJ-SUMWQHHRSA-N 0 0 342.395 3.111 10 5 EGBERN COCC1(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCCCC1 ZINC000598554245 459936324 /nfs/dbraw/zinc/93/63/24/459936324.db2.gz JSCLGRBMFXWSJO-UHFFFAOYSA-N 0 0 338.429 3.396 10 5 EGBERN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598565295 459938685 /nfs/dbraw/zinc/93/86/85/459938685.db2.gz PXSORZCBBBPYHY-XLKFXECMSA-N 0 0 348.733 3.133 10 5 EGBERN CC12CC(C1)CN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598567764 459941078 /nfs/dbraw/zinc/94/10/78/459941078.db2.gz HAPYZSVPOAWRJF-UHFFFAOYSA-N 0 0 329.381 3.343 10 5 EGBERN C[C@H]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597407443 459942517 /nfs/dbraw/zinc/94/25/17/459942517.db2.gz SXDGRNXCXDTMQO-STQMWFEESA-N 0 0 341.415 3.498 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598576571 459947229 /nfs/dbraw/zinc/94/72/29/459947229.db2.gz WIHXLGJPYBFJRM-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN CCCOc1ccc(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000598590877 459955448 /nfs/dbraw/zinc/95/54/48/459955448.db2.gz RPTAJKRFXRZMRN-UHFFFAOYSA-N 0 0 345.355 3.177 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000609456648 459965919 /nfs/dbraw/zinc/96/59/19/459965919.db2.gz PADHIMRZUXMOCO-NSHDSACASA-N 0 0 330.388 3.324 10 5 EGBERN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000597480511 459969307 /nfs/dbraw/zinc/96/93/07/459969307.db2.gz PKOWNVVHLOCEDL-ABAIWWIYSA-N 0 0 340.807 3.112 10 5 EGBERN CCOC(=O)Cc1ccc(NCC[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598638825 459973014 /nfs/dbraw/zinc/97/30/14/459973014.db2.gz PWYBGHIPBNYRBK-LLVKDONJSA-N 0 0 328.315 3.158 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000609543458 459979607 /nfs/dbraw/zinc/97/96/07/459979607.db2.gz LTTCFZBVCQZRBV-SJKOYZFVSA-N 0 0 346.408 3.115 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588788214 459983240 /nfs/dbraw/zinc/98/32/40/459983240.db2.gz LSLWJBMAPYUICS-TZMCWYRMSA-N 0 0 326.343 3.468 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000609575786 459986310 /nfs/dbraw/zinc/98/63/10/459986310.db2.gz UZJAMNKDAGOXMK-IOASZLSFSA-N 0 0 332.400 3.468 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000593792822 459987984 /nfs/dbraw/zinc/98/79/84/459987984.db2.gz XWEKLJFQIUDGNS-KRWDZBQOSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1cccc(COCC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000598700529 459997826 /nfs/dbraw/zinc/99/78/26/459997826.db2.gz OLZZFNKNYOHITJ-UHFFFAOYSA-N 0 0 328.368 3.045 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000588932538 460007132 /nfs/dbraw/zinc/00/71/32/460007132.db2.gz LDJRCIZAKCDZES-SJKOYZFVSA-N 0 0 346.333 3.163 10 5 EGBERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609796769 460020713 /nfs/dbraw/zinc/02/07/13/460020713.db2.gz PHUHBPFWKJTWDB-CQSZACIVSA-N 0 0 338.411 3.410 10 5 EGBERN O=C1N[C@@H](C2CCCCCC2)C(=O)N1CCc1cccc([N+](=O)[O-])c1 ZINC000593955663 460026643 /nfs/dbraw/zinc/02/66/43/460026643.db2.gz URZSXTVJNBMXDL-INIZCTEOSA-N 0 0 345.399 3.028 10 5 EGBERN C[C@H](NC(=O)C[C@@H]1OCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593965823 460030359 /nfs/dbraw/zinc/03/03/59/460030359.db2.gz VYBKSFOSDTXEDG-SJCJKPOMSA-N 0 0 326.352 3.434 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1Cl ZINC000609864028 460031151 /nfs/dbraw/zinc/03/11/51/460031151.db2.gz AXPNHIFBPQYMDY-MRVPVSSYSA-N 0 0 325.727 3.217 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597726590 460040478 /nfs/dbraw/zinc/04/04/78/460040478.db2.gz GBBDHTOIQFJRTR-GFCCVEGCSA-N 0 0 332.385 3.017 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC12COC2 ZINC000597731859 460041933 /nfs/dbraw/zinc/04/19/33/460041933.db2.gz ZDPWJSJZTDWGLT-UHFFFAOYSA-N 0 0 340.335 3.002 10 5 EGBERN Cc1ccc(COCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000598805013 460042789 /nfs/dbraw/zinc/04/27/89/460042789.db2.gz CHCOZRZNNPBHFY-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN Cc1cccc(COCC(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000598811268 460046640 /nfs/dbraw/zinc/04/66/40/460046640.db2.gz AQRIFFWAXKWFJV-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN Cc1cc(NC(=O)C[C@H](C)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827470 460053731 /nfs/dbraw/zinc/05/37/31/460053731.db2.gz HTUOKMQIZXDRPC-GTNSWQLSSA-N 0 0 343.383 3.017 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000598829478 460056828 /nfs/dbraw/zinc/05/68/28/460056828.db2.gz ZBXMVAFIEKHCNU-AWEZNQCLSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1cc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000598829479 460056856 /nfs/dbraw/zinc/05/68/56/460056856.db2.gz ZBXMVAFIEKHCNU-CQSZACIVSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594058583 460080245 /nfs/dbraw/zinc/08/02/45/460080245.db2.gz KACMGDIRNORYLH-HZPDHXFCSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)c1ccccn1 ZINC000597866629 460086683 /nfs/dbraw/zinc/08/66/83/460086683.db2.gz XMRRQDJNAOZVAY-NSHDSACASA-N 0 0 333.775 3.485 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](C(F)F)C1CCCCC1 ZINC000598895025 460087849 /nfs/dbraw/zinc/08/78/49/460087849.db2.gz BWXIPLPWGJZVGT-OAHLLOKOSA-N 0 0 326.343 3.468 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594075080 460090261 /nfs/dbraw/zinc/09/02/61/460090261.db2.gz YVVMSQFIXYFTGM-IRXDYDNUSA-N 0 0 348.399 3.071 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cc(F)ccc32)c1 ZINC000589517527 460098037 /nfs/dbraw/zinc/09/80/37/460098037.db2.gz IQWRHFDTXLMEBE-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594095478 460099333 /nfs/dbraw/zinc/09/93/33/460099333.db2.gz WOMJPDQWXGSJRR-UMSPYCQHSA-N 0 0 337.376 3.071 10 5 EGBERN COc1c(C)cccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000594110699 460106089 /nfs/dbraw/zinc/10/60/89/460106089.db2.gz CWOSKYRVLQONMA-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN COc1ccc(CNC(=O)NCC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000598967116 460108850 /nfs/dbraw/zinc/10/88/50/460108850.db2.gz NZOJROCSRNTAOZ-ZDUSSCGKSA-N 0 0 333.388 3.149 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594138652 460121758 /nfs/dbraw/zinc/12/17/58/460121758.db2.gz GTFVCWWVHFXTLQ-CTYIDZIISA-N 0 0 334.416 3.335 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cnccc1C ZINC000597978480 460134012 /nfs/dbraw/zinc/13/40/12/460134012.db2.gz SFOYZTVKNARZRH-UHFFFAOYSA-N 0 0 345.424 3.383 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594184591 460140234 /nfs/dbraw/zinc/14/02/34/460140234.db2.gz ZVZWHDFOASHJND-DZGCQCFKSA-N 0 0 336.388 3.071 10 5 EGBERN C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000599057439 460144005 /nfs/dbraw/zinc/14/40/05/460144005.db2.gz PNULVQHEHUHXHR-GUYCJALGSA-N 0 0 337.383 3.427 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599108448 460162629 /nfs/dbraw/zinc/16/26/29/460162629.db2.gz YICQWULRMQLALF-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594236914 460164272 /nfs/dbraw/zinc/16/42/72/460164272.db2.gz XUNHNEKPEVVQJY-SUMWQHHRSA-N 0 0 342.399 3.371 10 5 EGBERN COc1cc(NC[C@@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000599117789 460165134 /nfs/dbraw/zinc/16/51/34/460165134.db2.gz RJZDXWXIQZAVJD-GFCCVEGCSA-N 0 0 348.256 3.155 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599141021 460172342 /nfs/dbraw/zinc/17/23/42/460172342.db2.gz YCSQSOFUXONNDA-OAHLLOKOSA-N 0 0 342.395 3.167 10 5 EGBERN COc1ccc(CN2CC[C@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139322 460173015 /nfs/dbraw/zinc/17/30/15/460173015.db2.gz KBHGEIIJESQPOI-ZDUSSCGKSA-N 0 0 333.413 3.351 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CC=CCC2)s1 ZINC000599156259 460180708 /nfs/dbraw/zinc/18/07/08/460180708.db2.gz WPNJMBGNZXYHTG-JTQLQIEISA-N 0 0 330.431 3.218 10 5 EGBERN O=C(NCc1cccc(OC2CC2)c1F)c1ccc([N+](=O)[O-])s1 ZINC000598139738 460186361 /nfs/dbraw/zinc/18/63/61/460186361.db2.gz CJUNAYJJFHKAAE-UHFFFAOYSA-N 0 0 336.344 3.267 10 5 EGBERN Cc1cccc([C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C(C)C)c1 ZINC000599173219 460186855 /nfs/dbraw/zinc/18/68/55/460186855.db2.gz XYXOZNSAMJNFQW-QGZVFWFLSA-N 0 0 325.372 3.177 10 5 EGBERN COc1c(-c2nc(-c3coc(C4CC4)n3)no2)cccc1[N+](=O)[O-] ZINC000599183702 460191720 /nfs/dbraw/zinc/19/17/20/460191720.db2.gz DDLYKUNBXITYRL-UHFFFAOYSA-N 0 0 328.284 3.186 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H](C)c2cnccn2)no1 ZINC000599191591 460194699 /nfs/dbraw/zinc/19/46/99/460194699.db2.gz AJHVKSNENJVSDS-LLVKDONJSA-N 0 0 325.328 3.203 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000599201262 460197534 /nfs/dbraw/zinc/19/75/34/460197534.db2.gz HTWSYPDYBSTBKA-JDGPPOGSSA-N 0 0 328.372 3.426 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599202682 460198646 /nfs/dbraw/zinc/19/86/46/460198646.db2.gz ONUFAXHSANKTPP-BFPXCNAZSA-N 0 0 335.404 3.157 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000594377700 460199905 /nfs/dbraw/zinc/19/99/05/460199905.db2.gz PIPPVSQVGMABLM-KRWDZBQOSA-N 0 0 346.427 3.295 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594399731 460205673 /nfs/dbraw/zinc/20/56/73/460205673.db2.gz BQIIEDRVQUDSQE-LLVKDONJSA-N 0 0 333.388 3.257 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594401083 460205884 /nfs/dbraw/zinc/20/58/84/460205884.db2.gz LITRPNANKSUJAJ-NSHDSACASA-N 0 0 333.388 3.257 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000598214288 460206630 /nfs/dbraw/zinc/20/66/30/460206630.db2.gz SQPYATDWSLFLPF-MWLCHTKSSA-N 0 0 346.305 3.301 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000598214726 460207346 /nfs/dbraw/zinc/20/73/46/460207346.db2.gz IQJMULRHDIWQOK-CQSZACIVSA-N 0 0 328.315 3.157 10 5 EGBERN Cc1ccc(CC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000598234705 460216742 /nfs/dbraw/zinc/21/67/42/460216742.db2.gz JTCKLILARUQDCI-UHFFFAOYSA-N 0 0 338.407 3.455 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(=O)[O-] ZINC000576822954 460220773 /nfs/dbraw/zinc/22/07/73/460220773.db2.gz KOPBSJIZGRLZOO-LRDDRELGSA-N 0 0 344.367 3.397 10 5 EGBERN CC(C)(CCn1cc(Br)cc([N+](=O)[O-])c1=O)C1CC1 ZINC000594448981 460223878 /nfs/dbraw/zinc/22/38/78/460223878.db2.gz UIIMVOQDKPXSFE-UHFFFAOYSA-N 0 0 329.194 3.345 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599574610 460277844 /nfs/dbraw/zinc/27/78/44/460277844.db2.gz WCIFHMKGCDYVLE-SFHVURJKSA-N 0 0 337.383 3.497 10 5 EGBERN CC(C)C1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000611078948 460286892 /nfs/dbraw/zinc/28/68/92/460286892.db2.gz DNYSAFWBCFHKTE-UHFFFAOYSA-N 0 0 327.178 3.085 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C)c(C(=O)OC)o1)c1cccc([N+](=O)[O-])c1 ZINC000599634715 460294064 /nfs/dbraw/zinc/29/40/64/460294064.db2.gz KQRBLANJOYDQPV-CYBMUJFWSA-N 0 0 346.339 3.164 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611152822 460297434 /nfs/dbraw/zinc/29/74/34/460297434.db2.gz QPBBKRVAWBTWCZ-HNNXBMFYSA-N 0 0 338.379 3.430 10 5 EGBERN CSc1ccc(C(=O)N2CC3(C2)CC(F)(F)C3)cc1[N+](=O)[O-] ZINC000611214671 460309943 /nfs/dbraw/zinc/30/99/43/460309943.db2.gz PUCACQNRIBREPT-UHFFFAOYSA-N 0 0 328.340 3.188 10 5 EGBERN CC(C)(C)CC(=O)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611254190 460318765 /nfs/dbraw/zinc/31/87/65/460318765.db2.gz JEOSQBSAIGQWNU-VURMDHGXSA-N 0 0 345.443 3.188 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000611280309 460328268 /nfs/dbraw/zinc/32/82/68/460328268.db2.gz AQLNSGDZNLJCFZ-HNNXBMFYSA-N 0 0 342.399 3.194 10 5 EGBERN CCC(CC)[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829950 460342859 /nfs/dbraw/zinc/34/28/59/460342859.db2.gz NSWKATVOOFBBOR-MRXNPFEDSA-N 0 0 346.387 3.062 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833831 460344889 /nfs/dbraw/zinc/34/48/89/460344889.db2.gz AYLJLLHZWXPGOC-NSHDSACASA-N 0 0 344.371 3.080 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1F ZINC000599833866 460344917 /nfs/dbraw/zinc/34/49/17/460344917.db2.gz ZECBQYNZCWPSHO-MFKMUULPSA-N 0 0 332.335 3.355 10 5 EGBERN C[C@H]1SCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835444 460345327 /nfs/dbraw/zinc/34/53/27/460345327.db2.gz WWGQMOMHHGWBSB-BXKDBHETSA-N 0 0 332.385 3.159 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599835790 460345451 /nfs/dbraw/zinc/34/54/51/460345451.db2.gz OKHZYDKORJTLRC-KRWDZBQOSA-N 0 0 344.371 3.176 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H](O)C(C)C ZINC000599838583 460346115 /nfs/dbraw/zinc/34/61/15/460346115.db2.gz KTUSZRSJACYGPJ-BBRMVZONSA-N 0 0 346.387 3.060 10 5 EGBERN CCOC(=O)[C@@H](CNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000611370562 460346577 /nfs/dbraw/zinc/34/65/77/460346577.db2.gz VCZYTZQLZLJVKM-CYBMUJFWSA-N 0 0 334.397 3.490 10 5 EGBERN C[C@H](OC1CCCCCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484944 460374742 /nfs/dbraw/zinc/37/47/42/460374742.db2.gz RACAVKIXZLOREK-ZDUSSCGKSA-N 0 0 347.415 3.002 10 5 EGBERN C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1F ZINC000611506239 460381899 /nfs/dbraw/zinc/38/18/99/460381899.db2.gz IYWYCDMZEGDCKF-UKRRQHHQSA-N 0 0 349.406 3.018 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1F ZINC000611507237 460381985 /nfs/dbraw/zinc/38/19/85/460381985.db2.gz ZELPTHZXINAVPP-GZMMTYOYSA-N 0 0 334.269 3.434 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1F ZINC000611517639 460386218 /nfs/dbraw/zinc/38/62/18/460386218.db2.gz ZUFIJQQKTGMCOL-GZMMTYOYSA-N 0 0 332.278 3.016 10 5 EGBERN COc1ccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000611525263 460387762 /nfs/dbraw/zinc/38/77/62/460387762.db2.gz SIBKGCWZFBKRBW-KRWDZBQOSA-N 0 0 343.383 3.019 10 5 EGBERN Cc1sc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000604248434 460397164 /nfs/dbraw/zinc/39/71/64/460397164.db2.gz LDZYZGSNVYOSCA-UHFFFAOYSA-N 0 0 349.387 3.066 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000600146258 460404507 /nfs/dbraw/zinc/40/45/07/460404507.db2.gz GVITWNVWQGZXAR-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611573445 460405352 /nfs/dbraw/zinc/40/53/52/460405352.db2.gz MIGHAPJCYQDWSJ-LBPRGKRZSA-N 0 0 328.315 3.001 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611573591 460405673 /nfs/dbraw/zinc/40/56/73/460405673.db2.gz RHWXJWJJCSVIRF-CYBMUJFWSA-N 0 0 342.342 3.103 10 5 EGBERN CCCN(C(=O)c1cncc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000619663222 460408128 /nfs/dbraw/zinc/40/81/28/460408128.db2.gz DKQIXHOKBZZZFT-UHFFFAOYSA-N 0 0 329.356 3.193 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Cc3cccnc3)CC2)n1 ZINC000611617321 460414996 /nfs/dbraw/zinc/41/49/96/460414996.db2.gz FUJKNMCFLGAJOF-UHFFFAOYSA-N 0 0 326.400 3.461 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000604387387 460418576 /nfs/dbraw/zinc/41/85/76/460418576.db2.gz IKNGUWZAEHMQAY-GJZGRUSLSA-N 0 0 342.399 3.093 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N(C[C@@H]3CCCO3)C3CCCC3)c2c1 ZINC000611704927 460433669 /nfs/dbraw/zinc/43/36/69/460433669.db2.gz DRUMEFKIGLMJRK-HNNXBMFYSA-N 0 0 342.399 3.466 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)o1 ZINC000619759321 460434374 /nfs/dbraw/zinc/43/43/74/460434374.db2.gz AWAHPOILKHXIPZ-UHFFFAOYSA-N 0 0 337.763 3.225 10 5 EGBERN CN(Cc1nc2ccccc2[nH]1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604546590 460444368 /nfs/dbraw/zinc/44/43/68/460444368.db2.gz IIWZKVHHYWCSEU-UHFFFAOYSA-N 0 0 349.350 3.225 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCOC(C)(C)C ZINC000619810134 460448183 /nfs/dbraw/zinc/44/81/83/460448183.db2.gz BGLOOYLBKMRGAA-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1N1CCCC1 ZINC000604562599 460449470 /nfs/dbraw/zinc/44/94/70/460449470.db2.gz DUFFZOLVGOAITN-UHFFFAOYSA-N 0 0 339.395 3.433 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600268792 460461025 /nfs/dbraw/zinc/46/10/25/460461025.db2.gz GIHDCOILPSWWNM-JKSUJKDBSA-N 0 0 332.400 3.114 10 5 EGBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600367480 460484556 /nfs/dbraw/zinc/48/45/56/460484556.db2.gz PDNCCDJCJHCZLV-CJNGLKHVSA-N 0 0 347.396 3.016 10 5 EGBERN CCC(F)(F)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600379406 460486526 /nfs/dbraw/zinc/48/65/26/460486526.db2.gz KQCNWPWASXUBAI-QMMMGPOBSA-N 0 0 336.722 3.177 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC=CCC2)cc1OC ZINC000600393327 460489043 /nfs/dbraw/zinc/48/90/43/460489043.db2.gz JAZCDQJVLOPGMP-CYBMUJFWSA-N 0 0 348.399 3.478 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000600477394 460502639 /nfs/dbraw/zinc/50/26/39/460502639.db2.gz UXORFINAYAPKIO-HNNXBMFYSA-N 0 0 345.374 3.481 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600489475 460505111 /nfs/dbraw/zinc/50/51/11/460505111.db2.gz RHPDJFOTROFTNW-ZDUSSCGKSA-N 0 0 338.379 3.093 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCO[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600489474 460505191 /nfs/dbraw/zinc/50/51/91/460505191.db2.gz RHPDJFOTROFTNW-CYBMUJFWSA-N 0 0 338.379 3.093 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1OC ZINC000600501329 460506115 /nfs/dbraw/zinc/50/61/15/460506115.db2.gz UZGYYJXEPWZEPU-KSPBDQMDSA-N 0 0 348.399 3.168 10 5 EGBERN CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC000612064723 460524227 /nfs/dbraw/zinc/52/42/27/460524227.db2.gz QEFVIKJPNJVPRP-UHFFFAOYSA-N 0 0 328.315 3.058 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCSCCOC2CCOCC2)cc1 ZINC000600618941 460547213 /nfs/dbraw/zinc/54/72/13/460547213.db2.gz IFOAZQIFRRGFPL-UHFFFAOYSA-N 0 0 341.429 3.293 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(F)c(F)c2)s1 ZINC000616400539 460547442 /nfs/dbraw/zinc/54/74/42/460547442.db2.gz RMGIEQQGDAKLNO-SNVBAGLBSA-N 0 0 328.340 3.198 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000601163091 460736955 /nfs/dbraw/zinc/73/69/55/460736955.db2.gz CIFSTDSDNDKJHK-JOCQHMNTSA-N 0 0 331.351 3.359 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC(C)(C)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000601211266 460751866 /nfs/dbraw/zinc/75/18/66/460751866.db2.gz YELHAMMERLNCAT-AWEZNQCLSA-N 0 0 345.355 3.265 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288858 460777715 /nfs/dbraw/zinc/77/77/15/460777715.db2.gz DMFXPFGJYFQERR-HOTGVXAUSA-N 0 0 326.400 3.340 10 5 EGBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000601295306 460780467 /nfs/dbraw/zinc/78/04/67/460780467.db2.gz SYMBPSPWNUAFLT-PSVSLLHZSA-N 0 0 344.342 3.417 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1(C(C)C)CC1 ZINC000601314673 460785304 /nfs/dbraw/zinc/78/53/04/460785304.db2.gz NIAREHFBTNJXJJ-UHFFFAOYSA-N 0 0 340.445 3.324 10 5 EGBERN COc1cc(Cc2noc(C3(C(F)(F)F)CC3)n2)ccc1[N+](=O)[O-] ZINC000612963613 460785929 /nfs/dbraw/zinc/78/59/29/460785929.db2.gz GSOOPJPVQAGTHX-UHFFFAOYSA-N 0 0 343.261 3.171 10 5 EGBERN C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000613027407 460807666 /nfs/dbraw/zinc/80/76/66/460807666.db2.gz XOXUECLQRYGDQB-QMTHXVAHSA-N 0 0 326.343 3.218 10 5 EGBERN COCc1sccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000601557114 460831206 /nfs/dbraw/zinc/83/12/06/460831206.db2.gz BVZOEXCGJCRCCL-UHFFFAOYSA-N 0 0 334.397 3.117 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601567100 460835042 /nfs/dbraw/zinc/83/50/42/460835042.db2.gz QIHPQVLESMLFMZ-INIZCTEOSA-N 0 0 347.415 3.133 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(COC(C)(C)C)cc2)n1 ZINC000617380288 460837804 /nfs/dbraw/zinc/83/78/04/460837804.db2.gz XEQGTWVBHPAPOY-UHFFFAOYSA-N 0 0 346.387 3.379 10 5 EGBERN COC1(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601600660 460843030 /nfs/dbraw/zinc/84/30/30/460843030.db2.gz GKRLPYYVLPMOHA-UHFFFAOYSA-N 0 0 332.400 3.092 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601656227 460858693 /nfs/dbraw/zinc/85/86/93/460858693.db2.gz FYPLOEOSEYZDDR-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)CC(F)F ZINC000601660282 460860704 /nfs/dbraw/zinc/86/07/04/460860704.db2.gz XSKOKTBNWBJEMD-NSHDSACASA-N 0 0 326.343 3.424 10 5 EGBERN COc1ccc(C(=O)CNC(=O)[C@@]2(C)CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000601741580 460887292 /nfs/dbraw/zinc/88/72/92/460887292.db2.gz XKENCHDBAVEYLK-SFHVURJKSA-N 0 0 346.383 3.039 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000601926907 460947579 /nfs/dbraw/zinc/94/75/79/460947579.db2.gz IUSDBCIWMLNWOI-JKSUJKDBSA-N 0 0 326.352 3.483 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3c(F)cccc23)cc1[N+](=O)[O-] ZINC000617968356 461044560 /nfs/dbraw/zinc/04/45/60/461044560.db2.gz MHJICGZCZVURAT-UHFFFAOYSA-N 0 0 343.270 3.256 10 5 EGBERN C[C@@H](SCc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191710911 534001512 /nfs/dbraw/zinc/00/15/12/534001512.db2.gz QRWVTUBRGVHXGE-MRVPVSSYSA-N 0 0 347.322 3.138 10 5 EGBERN COc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1O ZINC000154661463 518164120 /nfs/dbraw/zinc/16/41/20/518164120.db2.gz SCKRQAPEVGOCJG-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000187069865 534606505 /nfs/dbraw/zinc/60/65/05/534606505.db2.gz SMPNRRHMDXKJSC-CQSZACIVSA-N 0 0 335.360 3.476 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@H]1CCCCO1 ZINC000183471091 527499753 /nfs/dbraw/zinc/49/97/53/527499753.db2.gz LPJVCKSMGLGMMN-LKBMAGLMSA-N 0 0 332.400 3.464 10 5 EGBERN CCOc1cccc(NC2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000184098340 528672283 /nfs/dbraw/zinc/67/22/83/528672283.db2.gz MORVHWJSADYMSY-UHFFFAOYSA-N 0 0 347.337 3.432 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000343189528 536808931 /nfs/dbraw/zinc/80/89/31/536808931.db2.gz APYWKXAZVJHFLG-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000374606721 536885358 /nfs/dbraw/zinc/88/53/58/536885358.db2.gz CNXPWYGSBANBLA-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000350721640 536888061 /nfs/dbraw/zinc/88/80/61/536888061.db2.gz VZYAOTNOGZSTCD-QWRGUYRKSA-N 0 0 346.305 3.198 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338095006 536892958 /nfs/dbraw/zinc/89/29/58/536892958.db2.gz OAJJMBNFKXYJQF-OAHLLOKOSA-N 0 0 344.342 3.089 10 5 EGBERN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000726500585 574560154 /nfs/dbraw/zinc/56/01/54/574560154.db2.gz FQKJBUSLQQFVHT-UHFFFAOYSA-N 0 0 330.388 3.160 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1F ZINC000729956821 574899807 /nfs/dbraw/zinc/89/98/07/574899807.db2.gz SXGASBPYYLLGBW-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592004069 574954119 /nfs/dbraw/zinc/95/41/19/574954119.db2.gz SCLFHLOBCLZNAW-BZUAXINKSA-N 0 0 331.416 3.028 10 5 EGBERN COc1ccc(CC(=O)OCC(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000763026712 575032090 /nfs/dbraw/zinc/03/20/90/575032090.db2.gz WLZVTOUSAZFROA-UHFFFAOYSA-N 0 0 342.562 3.059 10 5 EGBERN COc1ccccc1[C@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731206338 575059893 /nfs/dbraw/zinc/05/98/93/575059893.db2.gz GZXFEUQPISSSKQ-CYBMUJFWSA-N 0 0 345.380 3.359 10 5 EGBERN O=C1OC(c2ccsc2)=N/C1=C/c1cc([N+](=O)[O-])c(F)cc1F ZINC000731414340 575073007 /nfs/dbraw/zinc/07/30/07/575073007.db2.gz BRKVJCKMWKLVHO-QDEBKDIKSA-N 0 0 336.275 3.279 10 5 EGBERN CC(C)(C)OC(=O)NCc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000732048623 575233829 /nfs/dbraw/zinc/23/38/29/575233829.db2.gz AVNDMYXRGYJGSS-UHFFFAOYSA-N 0 0 344.371 3.180 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCc2ccccc2[N+](=O)[O-])c1N ZINC000741039958 576651064 /nfs/dbraw/zinc/65/10/64/576651064.db2.gz XMLHHCGZAXIDPP-UHFFFAOYSA-N 0 0 334.303 3.072 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccccc1Cn1cccn1 ZINC000741347533 576679233 /nfs/dbraw/zinc/67/92/33/576679233.db2.gz ZKDMAPZWMHXKHH-UHFFFAOYSA-N 0 0 343.364 3.258 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CCOc2ccc(F)cc2)c1 ZINC000741747359 576716402 /nfs/dbraw/zinc/71/64/02/576716402.db2.gz QEHMWARHRUECKK-UHFFFAOYSA-N 0 0 338.310 3.397 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1C ZINC000742416468 576781981 /nfs/dbraw/zinc/78/19/81/576781981.db2.gz YOLJYSVXYHXBEO-UHFFFAOYSA-N 0 0 327.384 3.095 10 5 EGBERN CC(=O)NCc1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000743144960 576802280 /nfs/dbraw/zinc/80/22/80/576802280.db2.gz SHFMNWVCWKMGNH-SNVBAGLBSA-N 0 0 348.380 3.210 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)o1 ZINC000743718196 576815251 /nfs/dbraw/zinc/81/52/51/576815251.db2.gz KQMCFZHOIREPEV-NSHDSACASA-N 0 0 331.372 3.138 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000744171662 576822267 /nfs/dbraw/zinc/82/22/67/576822267.db2.gz RSLSJSYZPVUZRC-VURMDHGXSA-N 0 0 344.371 3.476 10 5 EGBERN COc1ccc(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 ZINC000744318308 576825324 /nfs/dbraw/zinc/82/53/24/576825324.db2.gz LYBCQYYNYUOFAR-UHFFFAOYSA-N 0 0 334.353 3.077 10 5 EGBERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000744612753 576831868 /nfs/dbraw/zinc/83/18/68/576831868.db2.gz QLRQTUPEKPQVHH-UHFFFAOYSA-N 0 0 341.298 3.277 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000127217909 1293556315 /nfs/dbraw/zinc/55/63/15/1293556315.db2.gz SXZXQJQXMRZUKT-GFCCVEGCSA-N 0 0 343.339 3.345 10 5 EGBERN CCC[C@H](Oc1cccc([N+](=O)[O-])c1Br)C(=O)OCC ZINC000135104602 1293787817 /nfs/dbraw/zinc/78/78/17/1293787817.db2.gz ZPLVQSJMWPEYLD-NSHDSACASA-N 0 0 346.177 3.468 10 5 EGBERN O=C(NC[C@@H](CO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176789271 1294631477 /nfs/dbraw/zinc/63/14/77/1294631477.db2.gz WXVMNVLAIIUDDW-LBPRGKRZSA-N 0 0 349.774 3.146 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000178849124 1294758454 /nfs/dbraw/zinc/75/84/54/1294758454.db2.gz JHQAYBJYTFFQDZ-KRWDZBQOSA-N 0 0 349.387 3.180 10 5 EGBERN CC(C)(CCC(=O)N1CCC(Oc2ccccc2F)CC1)[N+](=O)[O-] ZINC000870245834 1295761527 /nfs/dbraw/zinc/76/15/27/1295761527.db2.gz XCJFQBWAFVXQMD-UHFFFAOYSA-N 0 0 338.379 3.031 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000870652059 1296002169 /nfs/dbraw/zinc/00/21/69/1296002169.db2.gz YUGOBYGLXAFDOL-GFCCVEGCSA-N 0 0 348.733 3.053 10 5 EGBERN C[C@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870827208 1296104615 /nfs/dbraw/zinc/10/46/15/1296104615.db2.gz WNOXFDHBYHZAJV-XEBKBJJBSA-N 0 0 329.356 3.232 10 5 EGBERN O=C(NCC[C@H]1CCCS1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000871024049 1296181965 /nfs/dbraw/zinc/18/19/65/1296181965.db2.gz LGIUJWTWSPRWNT-CYBMUJFWSA-N 0 0 335.429 3.185 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000871123495 1296235257 /nfs/dbraw/zinc/23/52/57/1296235257.db2.gz PZWGSMNYSRXGGH-VTGMHELGSA-N 0 0 330.384 3.072 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871283451 1296317854 /nfs/dbraw/zinc/31/78/54/1296317854.db2.gz FPMZCJGQEOHOFG-XHDPSFHLSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000871289370 1296320560 /nfs/dbraw/zinc/32/05/60/1296320560.db2.gz NZZKIOLZOAJPPW-PXAZEXFGSA-N 0 0 343.383 3.011 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000871332957 1296354914 /nfs/dbraw/zinc/35/49/14/1296354914.db2.gz APAWTCDYWCWZCM-CQSZACIVSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000871338727 1296360105 /nfs/dbraw/zinc/36/01/05/1296360105.db2.gz QMQWJHAIMGHZTB-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@@H](SCc1cn(C[C@@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000871715905 1296497494 /nfs/dbraw/zinc/49/74/94/1296497494.db2.gz HWRUOLZYNPUENU-OLZOCXBDSA-N 0 0 348.428 3.217 10 5 EGBERN C[C@@H](NCCC(=O)N1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031238 1296679857 /nfs/dbraw/zinc/67/98/57/1296679857.db2.gz NACDGWGBCOPVOJ-CYBMUJFWSA-N 0 0 337.395 3.177 10 5 EGBERN CCO[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000872061524 1296709285 /nfs/dbraw/zinc/70/92/85/1296709285.db2.gz FRCXYGFPGJCEDI-RMIITELYSA-N 0 0 338.379 3.111 10 5 EGBERN C[C@H](Nc1ccc(COCCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080945 1296722466 /nfs/dbraw/zinc/72/24/66/1296722466.db2.gz CLOWGJZXQZRKIA-LBPRGKRZSA-N 0 0 334.347 3.416 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000872279546 1296887138 /nfs/dbraw/zinc/88/71/38/1296887138.db2.gz FPRBDLZGPZPVRI-NQIIRXRSSA-N 0 0 348.402 3.123 10 5 EGBERN C[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 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ZINC000859967120 1329120513 /nfs/dbraw/zinc/12/05/13/1329120513.db2.gz FCVMSCOZPQOHDS-SNVBAGLBSA-N 0 0 333.296 3.201 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860065537 1329138828 /nfs/dbraw/zinc/13/88/28/1329138828.db2.gz AXTZVCFTJPQNSG-JQHSSLGASA-N 0 0 340.379 3.435 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860117227 1329150814 /nfs/dbraw/zinc/15/08/14/1329150814.db2.gz GASRQZKDBUCPDB-CABZTGNLSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCSC[C@@H]1C1CC1 ZINC000931611373 1329153127 /nfs/dbraw/zinc/15/31/27/1329153127.db2.gz TVBWYKWMAMALAH-CQSZACIVSA-N 0 0 339.392 3.483 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252141 1325099086 /nfs/dbraw/zinc/09/90/86/1325099086.db2.gz YKBWFFKEOKBXHR-PVUWLOKVSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860376482 1329311200 /nfs/dbraw/zinc/31/12/00/1329311200.db2.gz DPXXVWJJZYVBOZ-TZMCWYRMSA-N 0 0 328.368 3.124 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860395383 1329312599 /nfs/dbraw/zinc/31/25/99/1329312599.db2.gz ZDKLJMNWRHBZLO-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1O ZINC000860620895 1329336856 /nfs/dbraw/zinc/33/68/56/1329336856.db2.gz ZRINMQHMWSXPLC-YPMHNXCESA-N 0 0 340.807 3.117 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000860648402 1329339820 /nfs/dbraw/zinc/33/98/20/1329339820.db2.gz PSACWBDSMMZZJH-NWJSVONSSA-N 0 0 339.413 3.290 10 5 EGBERN Cn1c(C(=O)OC[C@@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000861008801 1329377533 /nfs/dbraw/zinc/37/75/33/1329377533.db2.gz SVBSJVWWNTVGKV-NSHDSACASA-N 0 0 342.273 3.436 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927288031 1327957490 /nfs/dbraw/zinc/95/74/90/1327957490.db2.gz NJBPWLHGSVZZTC-SNVBAGLBSA-N 0 0 338.282 3.163 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927296756 1327962350 /nfs/dbraw/zinc/96/23/50/1327962350.db2.gz AVTWAAITNYFNGI-IFXJQAMLSA-N 0 0 340.354 3.456 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCCC1(c2ccccc2)CC1 ZINC000927545714 1328053612 /nfs/dbraw/zinc/05/36/12/1328053612.db2.gz IGQJQIYWIZEMGF-UHFFFAOYSA-N 0 0 325.368 3.029 10 5 EGBERN C/C=C\CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000861177474 1329394749 /nfs/dbraw/zinc/39/47/49/1329394749.db2.gz KYYNGUFTFBFTRB-QUCGXOGASA-N 0 0 335.257 3.213 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)[C@@H](C)O1 ZINC000861188619 1329395597 /nfs/dbraw/zinc/39/55/97/1329395597.db2.gz CZFNVOFUSKGMLS-JHJVBQTASA-N 0 0 328.368 3.386 10 5 EGBERN Cc1ccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928142194 1328214811 /nfs/dbraw/zinc/21/48/11/1328214811.db2.gz QVYBEYSHPVFZFH-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928145670 1328215778 /nfs/dbraw/zinc/21/57/78/1328215778.db2.gz QTIMHOVYOCYLSJ-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000928234142 1328246273 /nfs/dbraw/zinc/24/62/73/1328246273.db2.gz IGTKINYZAQTMMZ-GFCCVEGCSA-N 0 0 336.388 3.023 10 5 EGBERN COc1c(C(=O)N2CCC[C@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000928240161 1328250130 /nfs/dbraw/zinc/25/01/30/1328250130.db2.gz IGTKINYZAQTMMZ-LBPRGKRZSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1c(C)cc(CO)cc1C ZINC000928466333 1328329203 /nfs/dbraw/zinc/32/92/03/1328329203.db2.gz BSVZLEPZQUTRFL-UHFFFAOYSA-N 0 0 342.395 3.251 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CCC(=O)C1 ZINC000861444844 1329418855 /nfs/dbraw/zinc/41/88/55/1329418855.db2.gz DFKOYCDBLWKCSL-BXKDBHETSA-N 0 0 331.246 3.111 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000929115020 1328507949 /nfs/dbraw/zinc/50/79/49/1328507949.db2.gz FOATVHHQFCNNTB-LLVKDONJSA-N 0 0 332.385 3.148 10 5 EGBERN CC(C)O[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861948011 1329452286 /nfs/dbraw/zinc/45/22/86/1329452286.db2.gz LRUAPLZUQUFGJT-OTVXOJSOSA-N 0 0 328.368 3.434 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862249493 1329470975 /nfs/dbraw/zinc/47/09/75/1329470975.db2.gz RAKZCZVKJLIHAR-UHFFFAOYSA-N 0 0 348.790 3.196 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863000085 1329521863 /nfs/dbraw/zinc/52/18/63/1329521863.db2.gz RKKNLSCXMNYQES-BSFVXNEUSA-N 0 0 347.198 3.443 10 5 EGBERN Cc1cccc([C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)C)c1 ZINC000863036733 1329525427 /nfs/dbraw/zinc/52/54/27/1329525427.db2.gz CRNAECRHGZPRNN-QZTJIDSGSA-N 0 0 342.395 3.450 10 5 EGBERN COC(=O)[C@](C)(NC(=O)/C=C(/C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000863300609 1329545146 /nfs/dbraw/zinc/54/51/46/1329545146.db2.gz DZYDJGIQOHQGLY-SIKDUDHDSA-N 0 0 348.399 3.092 10 5 EGBERN C/C=C/C[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341019 1329548596 /nfs/dbraw/zinc/54/85/96/1329548596.db2.gz TVEUGRWVJNXKMN-YWVDXFKGSA-N 0 0 331.372 3.138 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1cc(Cl)n(C)n1 ZINC000863402690 1329552210 /nfs/dbraw/zinc/55/22/10/1329552210.db2.gz UWJAJGPHJMWPKC-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@@H](C)c2ccns2)ccc1[N+](=O)[O-] ZINC000863614253 1329567876 /nfs/dbraw/zinc/56/78/76/1329567876.db2.gz AIVXYGPIAXTNPV-JTQLQIEISA-N 0 0 335.385 3.330 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000863648802 1329570196 /nfs/dbraw/zinc/57/01/96/1329570196.db2.gz JOQZDZPBFWOGDW-ZDUSSCGKSA-N 0 0 344.342 3.378 10 5 EGBERN O=C(c1cnn(CC2CCCC2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000864128712 1329600088 /nfs/dbraw/zinc/60/00/88/1329600088.db2.gz RDIWKKLVVZRTDG-UHFFFAOYSA-N 0 0 340.383 3.184 10 5 EGBERN Cc1csc2nc(CC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cn12 ZINC000864444711 1329614827 /nfs/dbraw/zinc/61/48/27/1329614827.db2.gz IGXGGESEIZDBOO-UHFFFAOYSA-N 0 0 344.396 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCCc1nnc2n1CCC2 ZINC000865425799 1329695744 /nfs/dbraw/zinc/69/57/44/1329695744.db2.gz WNZHMGNXUUAMCY-UHFFFAOYSA-N 0 0 342.186 3.094 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000865460327 1329700315 /nfs/dbraw/zinc/70/03/15/1329700315.db2.gz KJDSXBZORXREOH-UHFFFAOYSA-N 0 0 344.346 3.258 10 5 EGBERN C[C@H]1COCCN1c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000865549632 1329712390 /nfs/dbraw/zinc/71/23/90/1329712390.db2.gz REEJRUNBEWGJSW-NSHDSACASA-N 0 0 332.335 3.098 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@@]1(CCO)CCOC1 ZINC000865614688 1329720199 /nfs/dbraw/zinc/72/01/99/1329720199.db2.gz OONZOMKWFMMMIN-CYBMUJFWSA-N 0 0 335.187 3.103 10 5 EGBERN COc1ccc(CNc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC000865851937 1329745671 /nfs/dbraw/zinc/74/56/71/1329745671.db2.gz HGAKZJDUROUTMP-UHFFFAOYSA-N 0 0 330.340 3.377 10 5 EGBERN C[C@H](O)c1ccc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000865853309 1329745704 /nfs/dbraw/zinc/74/57/04/1329745704.db2.gz FPPUZRDNLJKJHX-XJKSGUPXSA-N 0 0 327.384 3.427 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCN(c3ccc(F)cc3)C2)cc1F ZINC000865881421 1329748655 /nfs/dbraw/zinc/74/86/55/1329748655.db2.gz ZWSQABXZIUPTEU-CYBMUJFWSA-N 0 0 349.337 3.056 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@@H](Cn2ccnn2)C1 ZINC000865932142 1329752662 /nfs/dbraw/zinc/75/26/62/1329752662.db2.gz OSSXIKPNGQWFDW-SECBINFHSA-N 0 0 342.186 3.020 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC(CCF)CC1 ZINC000866024305 1329759957 /nfs/dbraw/zinc/75/99/57/1329759957.db2.gz HDLFKYDFERBUGQ-UHFFFAOYSA-N 0 0 337.351 3.127 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000866051644 1330059662 /nfs/dbraw/zinc/05/96/62/1330059662.db2.gz GWPSEWLDTYHMMZ-PKOBYXMFSA-N 0 0 340.379 3.500 10 5 EGBERN COc1cc(N2CCC[C@H]2[C@@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000866053196 1330059811 /nfs/dbraw/zinc/05/98/11/1330059811.db2.gz OYNOSRGZAFNITB-KSSFIOAISA-N 0 0 346.358 3.445 10 5 EGBERN COc1cc(N[C@@H](C2CCC2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000866142143 1330070015 /nfs/dbraw/zinc/07/00/15/1330070015.db2.gz REDMRENNYJRJRC-SJCJKPOMSA-N 0 0 336.388 3.229 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](OC4CCC4)CC3)nc2c1 ZINC000866146622 1330070462 /nfs/dbraw/zinc/07/04/62/1330070462.db2.gz MDVBWOROOFKRMG-AWEZNQCLSA-N 0 0 330.388 3.399 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000866158691 1330071760 /nfs/dbraw/zinc/07/17/60/1330071760.db2.gz PEVZXROHQHAFCZ-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866200882 1330077678 /nfs/dbraw/zinc/07/76/78/1330077678.db2.gz LVSWHOQTEZIKCA-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CSC[C@@H]3C2)c(OC(F)F)c1 ZINC000866201237 1330077780 /nfs/dbraw/zinc/07/77/80/1330077780.db2.gz LQGXANVHTJDOPK-ZJUUUORDSA-N 0 0 330.356 3.386 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCOCC2)cc1OC(F)F ZINC000866273763 1330089227 /nfs/dbraw/zinc/08/92/27/1330089227.db2.gz SNTYBPBWLCHEAD-NWDGAFQWSA-N 0 0 328.315 3.423 10 5 EGBERN COc1cc(N2CCN(C)c3ncccc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000866291786 1330091543 /nfs/dbraw/zinc/09/15/43/1330091543.db2.gz CMOVYYUYHHMRJP-UHFFFAOYSA-N 0 0 348.790 3.108 10 5 EGBERN CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)Cc2cccnc21 ZINC000866291788 1330091616 /nfs/dbraw/zinc/09/16/16/1330091616.db2.gz CNLYQMZAPXGJDU-UHFFFAOYSA-N 0 0 334.326 3.384 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866374826 1330103490 /nfs/dbraw/zinc/10/34/90/1330103490.db2.gz OKKABSQPSIRXTB-PBIRYHDKSA-N 0 0 332.400 3.286 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)C[C@H]1CCC1(F)F ZINC000866617966 1330133717 /nfs/dbraw/zinc/13/37/17/1330133717.db2.gz SIJFXYWQKMYEPP-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000868122822 1330251897 /nfs/dbraw/zinc/25/18/97/1330251897.db2.gz RHVXDFVLZADMSU-YUTCNCBUSA-N 0 0 335.429 3.050 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000868205301 1330261973 /nfs/dbraw/zinc/26/19/73/1330261973.db2.gz YCAFNCITCLQBBC-LLVKDONJSA-N 0 0 334.401 3.229 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000868340266 1330272357 /nfs/dbraw/zinc/27/23/57/1330272357.db2.gz CSRISJQIFRKDQY-STQMWFEESA-N 0 0 337.445 3.407 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000868476295 1330284202 /nfs/dbraw/zinc/28/42/02/1330284202.db2.gz KFZMTWZWWNKRAT-INWMFGNUSA-N 0 0 347.415 3.018 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000868755013 1330332632 /nfs/dbraw/zinc/33/26/32/1330332632.db2.gz RKYHNIJAPISNST-GDBMZVCRSA-N 0 0 335.404 3.050 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2cccnc2)C1 ZINC000869054694 1330403885 /nfs/dbraw/zinc/40/38/85/1330403885.db2.gz HCNQXYKPGGJRHJ-JEZWAEDTSA-N 0 0 337.379 3.409 10 5 EGBERN CCCCC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000869376601 1330476551 /nfs/dbraw/zinc/47/65/51/1330476551.db2.gz VRNIUTSMYFZWBI-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN COc1cc(COC(=O)C(C)(C)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000869713812 1330551523 /nfs/dbraw/zinc/55/15/23/1330551523.db2.gz KEPXRUXAIKPXDV-OAHLLOKOSA-N 0 0 337.372 3.242 10 5 EGBERN COc1cncc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000869811783 1330569194 /nfs/dbraw/zinc/56/91/94/1330569194.db2.gz VQSYMZQPDVQORA-UHFFFAOYSA-N 0 0 342.351 3.164 10 5 EGBERN Cc1cncc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000869811715 1330569418 /nfs/dbraw/zinc/56/94/18/1330569418.db2.gz UOKGYCLUTZIVSK-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN C[C@H](C1CC1)N(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000869881063 1330581709 /nfs/dbraw/zinc/58/17/09/1330581709.db2.gz OWFSYSCMPJRZHR-ACJLOTCBSA-N 0 0 340.379 3.460 10 5 EGBERN O=C(COC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000869896915 1330585708 /nfs/dbraw/zinc/58/57/08/1330585708.db2.gz JOPPENQIIACLTD-UHFFFAOYSA-N 0 0 345.273 3.285 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC2CCC1CC2 ZINC001323643197 1387416151 /nfs/dbraw/zinc/41/61/51/1387416151.db2.gz DDYFMGSLJPUPCO-UHFFFAOYSA-N 0 0 326.299 3.211 10 5 EGBERN COC(=O)Nc1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001184856425 1387549745 /nfs/dbraw/zinc/54/97/45/1387549745.db2.gz JKKJPBGKUZSFGI-UHFFFAOYSA-N 0 0 349.318 3.017 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(-n3ccnc3)c(F)c2)c(F)c1 ZINC001185007506 1387589021 /nfs/dbraw/zinc/58/90/21/1387589021.db2.gz MWWCXUJWOSFXLB-UHFFFAOYSA-N 0 0 331.282 3.066 10 5 EGBERN COC(=O)N1CCC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001185205407 1387648856 /nfs/dbraw/zinc/64/88/56/1387648856.db2.gz XYJSVCNHTDLXIE-SNVBAGLBSA-N 0 0 347.293 3.256 10 5 EGBERN O=C(NCCCC1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001324508029 1387656254 /nfs/dbraw/zinc/65/62/54/1387656254.db2.gz BFDSZBOSEGANID-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN C[C@@H](c1ccccc1)[C@H](CO)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001185281309 1387667946 /nfs/dbraw/zinc/66/79/46/1387667946.db2.gz DXZMPZXQUDJEPW-ZBEGNZNMSA-N 0 0 326.356 3.048 10 5 EGBERN CCOC(=O)CN(CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001185808973 1387805670 /nfs/dbraw/zinc/80/56/70/1387805670.db2.gz GZVHWXWHWRVFON-UHFFFAOYSA-N 0 0 328.368 3.207 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOc2ncccc2F)c(C(F)(F)F)c1 ZINC001185848870 1387814588 /nfs/dbraw/zinc/81/45/88/1387814588.db2.gz QLBFVMBJRBQEIJ-UHFFFAOYSA-N 0 0 346.240 3.034 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1nc2ccccc2nc1F ZINC001186397550 1387933725 /nfs/dbraw/zinc/93/37/25/1387933725.db2.gz SXTCQCBCYGWQTO-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN CCOc1cc(N(Cc2cnn(C)c2)CC(C)C)ccc1[N+](=O)[O-] ZINC001186647698 1387993740 /nfs/dbraw/zinc/99/37/40/1387993740.db2.gz JGOSTEMNDSJPPW-UHFFFAOYSA-N 0 0 332.404 3.390 10 5 EGBERN Cc1ccc2nnc(CNc3nccc4c3cccc4[N+](=O)[O-])n2c1 ZINC001186748853 1388003578 /nfs/dbraw/zinc/00/35/78/1388003578.db2.gz XDQWNWBXOVQJQB-UHFFFAOYSA-N 0 0 334.339 3.106 10 5 EGBERN CCCN1C[C@@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1=O ZINC001186746852 1388004109 /nfs/dbraw/zinc/00/41/09/1388004109.db2.gz CTZOGJXUAXVWQW-SNVBAGLBSA-N 0 0 345.321 3.284 10 5 EGBERN CC[C@@H](C)c1cccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001187091206 1388049010 /nfs/dbraw/zinc/04/90/10/1388049010.db2.gz OCIYVRDGOOAWIK-LLVKDONJSA-N 0 0 349.412 3.499 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001187242893 1388080526 /nfs/dbraw/zinc/08/05/26/1388080526.db2.gz PHQCYTGHMXPAQH-NEPJUHHUSA-N 0 0 336.392 3.190 10 5 EGBERN Nc1ccc(-c2nnc(CCCc3cccs3)o2)cc1[N+](=O)[O-] ZINC001117267694 1371031889 /nfs/dbraw/zinc/03/18/89/1371031889.db2.gz SLIKRELOKFJZNN-UHFFFAOYSA-N 0 0 330.369 3.464 10 5 EGBERN CC1(C)[C@@H](c2ccccc2Cl)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187446433 1388110456 /nfs/dbraw/zinc/11/04/56/1388110456.db2.gz ZBVJXMFXSJDDIE-LLVKDONJSA-N 0 0 347.806 3.393 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001118988827 1371261067 /nfs/dbraw/zinc/26/10/67/1371261067.db2.gz ZPKAWOLLAMRVMQ-MSOLQXFVSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1cc(NC[C@@H]2CCCN2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001187558279 1388125861 /nfs/dbraw/zinc/12/58/61/1388125861.db2.gz DTLKNLBDZIEPMD-JTQLQIEISA-N 0 0 335.301 3.481 10 5 EGBERN Cn1ccc(-c2nc(CNc3c(F)cccc3[N+](=O)[O-])cs2)n1 ZINC001187607180 1388129398 /nfs/dbraw/zinc/12/93/98/1388129398.db2.gz QIODFUCNCAWGIQ-UHFFFAOYSA-N 0 0 333.348 3.203 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc([N+](=O)[O-])nc3)CCC[C@H]12 ZINC001187881460 1388183331 /nfs/dbraw/zinc/18/33/31/1388183331.db2.gz ZVCDVAXRJABECU-SUMWQHHRSA-N 0 0 348.403 3.334 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cc(F)ccc1N(C)C ZINC001187926230 1388192113 /nfs/dbraw/zinc/19/21/13/1388192113.db2.gz GKCILJJDWLAQGF-SNVBAGLBSA-N 0 0 346.362 3.072 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@]23CCC[C@H]2OCC3)c1 ZINC001123231617 1372402839 /nfs/dbraw/zinc/40/28/39/1372402839.db2.gz PICSXSFXYGKOPH-GDBMZVCRSA-N 0 0 337.397 3.433 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001123263960 1372410426 /nfs/dbraw/zinc/41/04/26/1372410426.db2.gz KOVIKHZSRDSLFJ-CVEARBPZSA-N 0 0 333.388 3.469 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001123380494 1372448313 /nfs/dbraw/zinc/44/83/13/1372448313.db2.gz XNKWAAKMZLYNRM-GXFFZTMASA-N 0 0 339.779 3.281 10 5 EGBERN COCC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC001123890675 1372619200 /nfs/dbraw/zinc/61/92/00/1372619200.db2.gz ZWFDFFPVFCMYFS-AWEZNQCLSA-N 0 0 349.774 3.151 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001124087678 1372670910 /nfs/dbraw/zinc/67/09/10/1372670910.db2.gz FXEKTPYWLYTGEY-CZUORRHYSA-N 0 0 338.791 3.279 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001124126511 1372677730 /nfs/dbraw/zinc/67/77/30/1372677730.db2.gz AIXGKVQYIXPLSF-JKSUJKDBSA-N 0 0 342.370 3.271 10 5 EGBERN Cc1cc(-c2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3)co2)ccn1 ZINC001124413928 1372699364 /nfs/dbraw/zinc/69/93/64/1372699364.db2.gz SQBJSVLGWAJNOX-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN CNC(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001124517989 1372708340 /nfs/dbraw/zinc/70/83/40/1372708340.db2.gz QEMXATKHDNKUIJ-UHFFFAOYSA-N 0 0 348.742 3.135 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CO2 ZINC001124816802 1372733206 /nfs/dbraw/zinc/73/32/06/1372733206.db2.gz ZKNGXDHDRKOJFR-UHFFFAOYSA-N 0 0 338.363 3.338 10 5 EGBERN Cc1ccc(Cl)cc1OCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001125311181 1372769117 /nfs/dbraw/zinc/76/91/17/1372769117.db2.gz GLNNBAXZBPBUGK-UHFFFAOYSA-N 0 0 348.786 3.294 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)n1ccc(C(F)(F)F)n1 ZINC001125338072 1372771750 /nfs/dbraw/zinc/77/17/50/1372771750.db2.gz OTYYTZKJHADWQF-ZETCQYMHSA-N 0 0 346.240 3.149 10 5 EGBERN C[C@@H](COc1ccc(F)cc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001125364187 1372775717 /nfs/dbraw/zinc/77/57/17/1372775717.db2.gz AOWMYDZYOUMSRI-HQAMWZJRSA-N 0 0 344.342 3.331 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1ncc2cc(Cl)ccn21 ZINC001125419194 1372784148 /nfs/dbraw/zinc/78/41/48/1372784148.db2.gz SBGOHXIGLKYUIX-UHFFFAOYSA-N 0 0 331.715 3.253 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001125433689 1372786201 /nfs/dbraw/zinc/78/62/01/1372786201.db2.gz RSVFTRQURJODOB-UHFFFAOYSA-N 0 0 330.315 3.254 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C(F)F)c1 ZINC001125621516 1372821391 /nfs/dbraw/zinc/82/13/91/1372821391.db2.gz YZEJOCBOTOYSIF-UHFFFAOYSA-N 0 0 328.300 3.161 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC001125716392 1372840326 /nfs/dbraw/zinc/84/03/26/1372840326.db2.gz PARCMYWJTYEJDV-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC001126121812 1372938209 /nfs/dbraw/zinc/93/82/09/1372938209.db2.gz HNCYJTPCYUBWOC-UHFFFAOYSA-N 0 0 343.170 3.070 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1cnn2ccccc12 ZINC001126247884 1372952258 /nfs/dbraw/zinc/95/22/58/1372952258.db2.gz AOYZLYBKFDAMPQ-UHFFFAOYSA-N 0 0 344.758 3.386 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)n1 ZINC001126461117 1372967086 /nfs/dbraw/zinc/96/70/86/1372967086.db2.gz UXGINAUBMLHTPM-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C ZINC001126784256 1373022582 /nfs/dbraw/zinc/02/25/82/1373022582.db2.gz SNZMFSYSRSKUBU-UHFFFAOYSA-N 0 0 330.300 3.076 10 5 EGBERN CN(Cc1nccs1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001126823398 1373035876 /nfs/dbraw/zinc/03/58/76/1373035876.db2.gz FAOSRWVBRGNBDF-UHFFFAOYSA-N 0 0 345.302 3.342 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCC2(CC)CCCC2)cc([N+](=O)[O-])c1 ZINC001127218283 1373104744 /nfs/dbraw/zinc/10/47/44/1373104744.db2.gz HPYIFBZFRREJEY-UHFFFAOYSA-N 0 0 348.399 3.472 10 5 EGBERN O=C(Cc1cccc2cnccc21)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001127355980 1373117841 /nfs/dbraw/zinc/11/78/41/1373117841.db2.gz ORLSZDNENIACJC-UHFFFAOYSA-N 0 0 326.283 3.430 10 5 EGBERN Cc1cc(F)ccc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001127378555 1373121556 /nfs/dbraw/zinc/12/15/56/1373121556.db2.gz COHKAWMRAJHPHL-UHFFFAOYSA-N 0 0 347.298 3.171 10 5 EGBERN CCc1cc(NC(=O)C2(F)CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001127578222 1373141604 /nfs/dbraw/zinc/14/16/04/1373141604.db2.gz UGUQHXZHOSKYRQ-UHFFFAOYSA-N 0 0 331.347 3.348 10 5 EGBERN Cc1cccnc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864597 1373191807 /nfs/dbraw/zinc/19/18/07/1373191807.db2.gz RUBFYQIHODBESX-VQHVLOKHSA-N 0 0 334.335 3.498 10 5 EGBERN CN(C)c1cccc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)c1 ZINC001127896322 1373197084 /nfs/dbraw/zinc/19/70/84/1373197084.db2.gz NCYHOCSVGKPKKZ-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN CCc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC001127926990 1373200064 /nfs/dbraw/zinc/20/00/64/1373200064.db2.gz YIMHQSLFVJMNNS-KRWDZBQOSA-N 0 0 340.379 3.340 10 5 EGBERN Cc1cncc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC001127962888 1373204380 /nfs/dbraw/zinc/20/43/80/1373204380.db2.gz QMYDIFFHAQWMJE-DAXSKMNVSA-N 0 0 334.335 3.498 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC2(c3ccccc3)CC2)n1 ZINC001128003100 1373207755 /nfs/dbraw/zinc/20/77/55/1373207755.db2.gz HSCCYCCFEQUZIU-UHFFFAOYSA-N 0 0 325.368 3.102 10 5 EGBERN CCC(C)(C)[C@H]1CCc2nc(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2C1 ZINC001128761052 1373309076 /nfs/dbraw/zinc/30/90/76/1373309076.db2.gz AQXQXEZEQADDTI-HOSYDEDBSA-N 0 0 337.445 3.288 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001128962487 1373328970 /nfs/dbraw/zinc/32/89/70/1373328970.db2.gz ZZGPNHFCMZOADD-UHFFFAOYSA-N 0 0 345.374 3.203 10 5 EGBERN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128985544 1373331072 /nfs/dbraw/zinc/33/10/72/1373331072.db2.gz SDRJQGZSZTXLLS-UHFFFAOYSA-N 0 0 346.240 3.047 10 5 EGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1ncsc1Br ZINC001188170135 1388256422 /nfs/dbraw/zinc/25/64/22/1388256422.db2.gz QQSFSKCYMVNWDR-UHFFFAOYSA-N 0 0 343.158 3.205 10 5 EGBERN Cc1ccc(COC(=O)c2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC001129134969 1373350186 /nfs/dbraw/zinc/35/01/86/1373350186.db2.gz IPRFKPHFLCAYRM-UHFFFAOYSA-N 0 0 338.266 3.257 10 5 EGBERN CC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC001129210710 1373361649 /nfs/dbraw/zinc/36/16/49/1373361649.db2.gz ANBQLRDYLIVKLE-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN Cc1cnccc1/C=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129398810 1373380204 /nfs/dbraw/zinc/38/02/04/1373380204.db2.gz VCHQFDBXIMYDPN-CMDGGOBGSA-N 0 0 325.368 3.363 10 5 EGBERN C[C@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cncc(F)c1 ZINC001129738949 1373418962 /nfs/dbraw/zinc/41/89/62/1373418962.db2.gz KFJSFESOCQTDGN-ZETCQYMHSA-N 0 0 326.230 3.325 10 5 EGBERN COc1cccc(C(=O)Nc2ccnc(Cl)c2F)c1[N+](=O)[O-] ZINC001129747277 1373419684 /nfs/dbraw/zinc/41/96/84/1373419684.db2.gz YEZPCVMHVLCOLS-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c(F)c1 ZINC001130033932 1373447413 /nfs/dbraw/zinc/44/74/13/1373447413.db2.gz ULFQYQMXOAJSAA-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COCc3ccccc32)c1 ZINC001130043182 1373447664 /nfs/dbraw/zinc/44/76/64/1373447664.db2.gz MCSVCLTXVXVVNU-OAHLLOKOSA-N 0 0 344.392 3.318 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCOc2c(F)ccc(F)c21 ZINC001130565499 1373560583 /nfs/dbraw/zinc/56/05/83/1373560583.db2.gz QCKZLYBRSZCZEL-BAQGIRSFSA-N 0 0 346.289 3.312 10 5 EGBERN CSc1ccnc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001130741612 1373586866 /nfs/dbraw/zinc/58/68/66/1373586866.db2.gz AFOSBWYMJQRKNN-UHFFFAOYSA-N 0 0 338.776 3.321 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc2C1 ZINC001130758729 1373588235 /nfs/dbraw/zinc/58/82/35/1373588235.db2.gz LWBLYMXLPWEDHR-AWEZNQCLSA-N 0 0 349.346 3.333 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1csc2cncn21 ZINC001130755906 1373588615 /nfs/dbraw/zinc/58/86/15/1373588615.db2.gz IFKZLMMHIHCBDU-UHFFFAOYSA-N 0 0 339.336 3.105 10 5 EGBERN Cc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC001130939859 1373611809 /nfs/dbraw/zinc/61/18/09/1373611809.db2.gz DKVRTIMGXYHFRI-UHFFFAOYSA-N 0 0 342.395 3.258 10 5 EGBERN Cn1nc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cc1C1CC1 ZINC001130954791 1373614567 /nfs/dbraw/zinc/61/45/67/1373614567.db2.gz MPFJYWDIULZNGC-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN Cc1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c2nccn2c1 ZINC001130957112 1373615377 /nfs/dbraw/zinc/61/53/77/1373615377.db2.gz MCZNFBJNWOFNCC-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN O=C(COc1ccsc1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956599 1373615531 /nfs/dbraw/zinc/61/55/31/1373615531.db2.gz DFTHFOIOIZBHQX-UHFFFAOYSA-N 0 0 329.337 3.222 10 5 EGBERN CCOc1cc(NC(=O)c2c(F)cccc2OC)ccc1[N+](=O)[O-] ZINC001131000619 1373622821 /nfs/dbraw/zinc/62/28/21/1373622821.db2.gz XRHKPUZSUJEODJ-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN COc1cccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001131071748 1373637882 /nfs/dbraw/zinc/63/78/82/1373637882.db2.gz QYWZWAGXIMONJB-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN CC(=O)Nc1ccccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001131160851 1373655614 /nfs/dbraw/zinc/65/56/14/1373655614.db2.gz OUAPCLRRQPOOAN-UHFFFAOYSA-N 0 0 335.266 3.084 10 5 EGBERN O=C(Cc1ccc2c(c1)COC2)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251101 1373669304 /nfs/dbraw/zinc/66/93/04/1373669304.db2.gz UUHUWVKQLLYAMJ-UHFFFAOYSA-N 0 0 349.346 3.354 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001131292727 1373676046 /nfs/dbraw/zinc/67/60/46/1373676046.db2.gz GAZFYFDZLMEWSH-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCc1cnsc1 ZINC001131389902 1373687743 /nfs/dbraw/zinc/68/77/43/1373687743.db2.gz QVSQQTZLKLEESC-UHFFFAOYSA-N 0 0 326.761 3.381 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC001131428915 1373696321 /nfs/dbraw/zinc/69/63/21/1373696321.db2.gz XEQYSBOLMKPFOZ-CYBMUJFWSA-N 0 0 332.400 3.385 10 5 EGBERN O=C(NCCc1nsc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC001131469834 1373704861 /nfs/dbraw/zinc/70/48/61/1373704861.db2.gz NPKDJZMCZOWSJF-UHFFFAOYSA-N 0 0 333.394 3.239 10 5 EGBERN COc1cc(C(=O)OCc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001131789223 1373808539 /nfs/dbraw/zinc/80/85/39/1373808539.db2.gz INMJDPLXUAXMET-LLVKDONJSA-N 0 0 343.335 3.284 10 5 EGBERN CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc21 ZINC001131990356 1375085103 /nfs/dbraw/zinc/08/51/03/1375085103.db2.gz IVQGWXRYAMNFMH-UHFFFAOYSA-N 0 0 337.788 3.406 10 5 EGBERN CCC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001132089181 1375140440 /nfs/dbraw/zinc/14/04/40/1375140440.db2.gz RYCPOHSNCQGSRW-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccc2cnccc2c1 ZINC001188702022 1388363258 /nfs/dbraw/zinc/36/32/58/1388363258.db2.gz WNHUWCJMAFWYJI-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN COc1cccc2c1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001132272649 1375259082 /nfs/dbraw/zinc/25/90/82/1375259082.db2.gz MFPFGUQVWMOREJ-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)Cc2ccccc21 ZINC001132535832 1375446126 /nfs/dbraw/zinc/44/61/26/1375446126.db2.gz BMRRBPGVTPDNKQ-UHFFFAOYSA-N 0 0 343.358 3.135 10 5 EGBERN CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132622703 1375489511 /nfs/dbraw/zinc/48/95/11/1375489511.db2.gz PNKZUVGOQHGGHB-INIZCTEOSA-N 0 0 345.786 3.165 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001132747386 1375543952 /nfs/dbraw/zinc/54/39/52/1375543952.db2.gz NFXDDBYGESASIA-SNVBAGLBSA-N 0 0 341.323 3.487 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(C(F)(F)F)s1 ZINC001132750607 1375545750 /nfs/dbraw/zinc/54/57/50/1375545750.db2.gz WAGPZPCGHFBGGA-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001132984487 1375693997 /nfs/dbraw/zinc/69/39/97/1375693997.db2.gz PNKJUADBOUNKIZ-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN CCC1(CC)CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001133128217 1375792100 /nfs/dbraw/zinc/79/21/00/1375792100.db2.gz XVEHWQDMAGHXST-UHFFFAOYSA-N 0 0 330.388 3.126 10 5 EGBERN COc1ccc(F)cc1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC001133515399 1376050734 /nfs/dbraw/zinc/05/07/34/1376050734.db2.gz NEOFPVQCYWAGLE-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN C[S@@](=O)(=NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001133994496 1376301410 /nfs/dbraw/zinc/30/14/10/1376301410.db2.gz GRDVWBNXENCNEP-SRLUVNLFSA-N 0 0 330.365 3.292 10 5 EGBERN Cc1cccc(C)c1CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001134238332 1376428061 /nfs/dbraw/zinc/42/80/61/1376428061.db2.gz JFZCKECTCMZEJA-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001134364294 1376494453 /nfs/dbraw/zinc/49/44/53/1376494453.db2.gz WSBZWEAYKJMDGC-GFCCVEGCSA-N 0 0 342.351 3.244 10 5 EGBERN COc1c(Cl)cccc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001134522237 1376575141 /nfs/dbraw/zinc/57/51/41/1376575141.db2.gz LTVLITBQVIYICF-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(NCc1cnn(CCF)c1)c1cc2ccccc2c2cccnc12 ZINC001134568678 1376601964 /nfs/dbraw/zinc/60/19/64/1376601964.db2.gz JMCGGUIANKVTJM-UHFFFAOYSA-N 0 0 348.381 3.484 10 5 EGBERN Cc1nc2ccccn2c1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001134895430 1376773454 /nfs/dbraw/zinc/77/34/54/1376773454.db2.gz QQQNNDOYCMLNQC-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN CC(C)(F)c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])no1 ZINC001135195347 1376967060 /nfs/dbraw/zinc/96/70/60/1376967060.db2.gz PPAKAUZFWLPVNO-UHFFFAOYSA-N 0 0 336.323 3.228 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001135494788 1377117847 /nfs/dbraw/zinc/11/78/47/1377117847.db2.gz KKKOMKFYSOSZQD-UHFFFAOYSA-N 0 0 326.312 3.046 10 5 EGBERN COC(=O)c1coc(/C=C\C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 ZINC001264250070 1377141979 /nfs/dbraw/zinc/14/19/79/1377141979.db2.gz GODKPSRSASJTSQ-PLNGDYQASA-N 0 0 345.307 3.210 10 5 EGBERN Cc1cc(COC(=O)[C@H]2COc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC001266572893 1377335264 /nfs/dbraw/zinc/33/52/64/1377335264.db2.gz ZYZKBRASSIRZHB-CQSZACIVSA-N 0 0 345.326 3.337 10 5 EGBERN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137224810 1377499738 /nfs/dbraw/zinc/49/97/38/1377499738.db2.gz BUXUOEQCPWEYOF-UHFFFAOYSA-N 0 0 347.718 3.242 10 5 EGBERN CCN(Cc1ccccn1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001137232935 1377501676 /nfs/dbraw/zinc/50/16/76/1377501676.db2.gz KZFBAUUKMRNIHG-UHFFFAOYSA-N 0 0 333.775 3.234 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)CO2 ZINC001137330500 1377520900 /nfs/dbraw/zinc/52/09/00/1377520900.db2.gz QMORFZSSTDAZHB-GFCCVEGCSA-N 0 0 332.743 3.420 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001137630405 1377575579 /nfs/dbraw/zinc/57/55/79/1377575579.db2.gz XOMGBMYYQBHIHC-LSDHHAIUSA-N 0 0 349.350 3.122 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001137783881 1377615911 /nfs/dbraw/zinc/61/59/11/1377615911.db2.gz NIVOJFORFNGFPZ-UHFFFAOYSA-N 0 0 346.770 3.423 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3nsnc31)CC2 ZINC001137828893 1377623749 /nfs/dbraw/zinc/62/37/49/1377623749.db2.gz UJFHUSUAHAEFKB-UHFFFAOYSA-N 0 0 340.364 3.111 10 5 EGBERN CC(=O)CC1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001137852248 1377631080 /nfs/dbraw/zinc/63/10/80/1377631080.db2.gz RKHMYPSCGAIFKO-UHFFFAOYSA-N 0 0 338.791 3.056 10 5 EGBERN COc1cc(C(=O)Nc2cc3n[nH]cc3c(C)c2)c([N+](=O)[O-])cc1F ZINC001137951651 1377652756 /nfs/dbraw/zinc/65/27/56/1377652756.db2.gz ULJGCWVVPNNNGW-UHFFFAOYSA-N 0 0 344.302 3.180 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(F)cc1OC(F)F ZINC001138002968 1377662896 /nfs/dbraw/zinc/66/28/96/1377662896.db2.gz HZURFFSFWLPLJY-SSDOTTSWSA-N 0 0 343.261 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1Cl ZINC001138226276 1377691101 /nfs/dbraw/zinc/69/11/01/1377691101.db2.gz VMEGQMMOVLVAGJ-LLVKDONJSA-N 0 0 346.770 3.159 10 5 EGBERN O=C(c1ccsc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247654 1377693779 /nfs/dbraw/zinc/69/37/79/1377693779.db2.gz VZBZFMURTAGTBA-UHFFFAOYSA-N 0 0 338.772 3.213 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(=O)c(Cl)c[nH]1 ZINC001138908183 1377801689 /nfs/dbraw/zinc/80/16/89/1377801689.db2.gz ZCIFQGRGCHRHHH-UHFFFAOYSA-N 0 0 339.760 3.323 10 5 EGBERN CO[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001273266536 1378092984 /nfs/dbraw/zinc/09/29/84/1378092984.db2.gz SEIZJFYAMSAFRF-AWEZNQCLSA-N 0 0 348.786 3.236 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001140915751 1378179328 /nfs/dbraw/zinc/17/93/28/1378179328.db2.gz MRYGUQONDGQVLC-INIZCTEOSA-N 0 0 348.305 3.087 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC001141587668 1378347374 /nfs/dbraw/zinc/34/73/74/1378347374.db2.gz QUPCRYLMZHRANR-INIZCTEOSA-N 0 0 329.331 3.124 10 5 EGBERN CC(=O)Nc1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])ccc1C ZINC001141715190 1378365089 /nfs/dbraw/zinc/36/50/89/1378365089.db2.gz IXCXKHFGMPMDPE-UHFFFAOYSA-N 0 0 345.330 3.182 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ncco2)CC1 ZINC001142927963 1378510233 /nfs/dbraw/zinc/51/02/33/1378510233.db2.gz RNAAAGLUGLIOKW-UHFFFAOYSA-N 0 0 333.319 3.050 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2ncccc12 ZINC001143100316 1378539624 /nfs/dbraw/zinc/53/96/24/1378539624.db2.gz NMEOKIUTEYVOGF-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001327549888 1388557922 /nfs/dbraw/zinc/55/79/22/1388557922.db2.gz HRZFDXGOMAIZQA-WFASDCNBSA-N 0 0 337.372 3.240 10 5 EGBERN CNc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)cc1[N+](=O)[O-] ZINC001143829226 1378651031 /nfs/dbraw/zinc/65/10/31/1378651031.db2.gz QFQLDNABLRRPJX-UHFFFAOYSA-N 0 0 337.339 3.279 10 5 EGBERN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1-n1ccnc1 ZINC001143934654 1378662373 /nfs/dbraw/zinc/66/23/73/1378662373.db2.gz WIXKLPRUXXOEOG-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001148387642 1379162595 /nfs/dbraw/zinc/16/25/95/1379162595.db2.gz GHEUWRJWVNXNAT-VXGBXAGGSA-N 0 0 346.412 3.298 10 5 EGBERN Cn1ncc(C2CCC2)c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327815585 1388599659 /nfs/dbraw/zinc/59/96/59/1388599659.db2.gz KHUMIQRROFXNAF-UHFFFAOYSA-N 0 0 326.400 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnn3ccccc23)c1F ZINC001149492658 1379389947 /nfs/dbraw/zinc/38/99/47/1379389947.db2.gz JEJFKGROYWUDLS-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccco1 ZINC001150938524 1379636510 /nfs/dbraw/zinc/63/65/10/1379636510.db2.gz GBXRSPAXDMYIDR-SNVBAGLBSA-N 0 0 348.380 3.301 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327912166 1388622531 /nfs/dbraw/zinc/62/25/31/1388622531.db2.gz BWGMQANUKMTIMW-GRDNDAEWSA-N 0 0 329.400 3.099 10 5 EGBERN COc1ccc(NC(=O)c2cc3c(C)cccn3c2)cc1[N+](=O)[O-] ZINC001152086053 1379860475 /nfs/dbraw/zinc/86/04/75/1379860475.db2.gz WCWKWRPMSABUTR-UHFFFAOYSA-N 0 0 325.324 3.417 10 5 EGBERN CC(C)c1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1O ZINC001153172133 1380031015 /nfs/dbraw/zinc/03/10/15/1380031015.db2.gz VJEQDIOJSDLNBB-UHFFFAOYSA-N 0 0 344.323 3.405 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC001153184663 1380031788 /nfs/dbraw/zinc/03/17/88/1380031788.db2.gz FUFBDPZLXFRUDK-GXTWGEPZSA-N 0 0 346.362 3.026 10 5 EGBERN CC1(C)CC[C@H](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)OC1 ZINC001153495340 1380084398 /nfs/dbraw/zinc/08/43/98/1380084398.db2.gz RKSGZUNVVQHYLI-LLVKDONJSA-N 0 0 332.360 3.005 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC001153832735 1380139729 /nfs/dbraw/zinc/13/97/29/1380139729.db2.gz NEKQUCXSWQAITL-HNNXBMFYSA-N 0 0 346.314 3.111 10 5 EGBERN COc1nscc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001153902748 1380153061 /nfs/dbraw/zinc/15/30/61/1380153061.db2.gz LJONWTJYGLTLLK-UHFFFAOYSA-N 0 0 331.712 3.105 10 5 EGBERN CON(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001153984289 1380169510 /nfs/dbraw/zinc/16/95/10/1380169510.db2.gz YNQIREKCVOWNRS-UHFFFAOYSA-N 0 0 347.346 3.004 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001155375731 1380443265 /nfs/dbraw/zinc/44/32/65/1380443265.db2.gz QEJOKBQWXRRQDK-LSKIRQOJSA-N 0 0 340.326 3.218 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC(Cl)(Cl)C1 ZINC001156851198 1380694210 /nfs/dbraw/zinc/69/42/10/1380694210.db2.gz IRRHKTVJHHWGLD-UHFFFAOYSA-N 0 0 337.590 3.243 10 5 EGBERN Cc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)c(N)c1[N+](=O)[O-] ZINC001158232536 1381168472 /nfs/dbraw/zinc/16/84/72/1381168472.db2.gz YMRFFGIVGJXULP-LLVKDONJSA-N 0 0 348.384 3.046 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(c1)CCO2 ZINC001287383916 1381196734 /nfs/dbraw/zinc/19/67/34/1381196734.db2.gz VXFGEAMECSYGSZ-UHFFFAOYSA-N 0 0 331.349 3.471 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C2 ZINC001287839897 1381379036 /nfs/dbraw/zinc/37/90/36/1381379036.db2.gz UKICGZFAAWHNGM-UHFFFAOYSA-N 0 0 344.392 3.481 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCn2ncc(Cl)c21 ZINC001288000792 1381478049 /nfs/dbraw/zinc/47/80/49/1381478049.db2.gz ZBQXTLCPXHIXLU-UHFFFAOYSA-N 0 0 341.154 3.149 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001288216522 1381731599 /nfs/dbraw/zinc/73/15/99/1381731599.db2.gz XAQBHYRUBXFQSR-SNVBAGLBSA-N 0 0 349.774 3.469 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001288216543 1381731837 /nfs/dbraw/zinc/73/18/37/1381731837.db2.gz XGZTYCPVSYGHQN-UHFFFAOYSA-N 0 0 342.355 3.334 10 5 EGBERN C[C@H](NC(=O)c1ccnc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001288498210 1381843520 /nfs/dbraw/zinc/84/35/20/1381843520.db2.gz NXZNVIYXQHRUDG-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN CCNc1ccc(C(=O)Nc2cc(F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC001288560381 1381885974 /nfs/dbraw/zinc/88/59/74/1381885974.db2.gz XLQZSADAOCMREW-UHFFFAOYSA-N 0 0 346.362 3.484 10 5 EGBERN C[C@H]1Cc2cc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)ccc2O1 ZINC001288646032 1381905020 /nfs/dbraw/zinc/90/50/20/1381905020.db2.gz YKQXUYYTMKANBH-VIFPVBQESA-N 0 0 348.305 3.126 10 5 EGBERN Cc1nccc2c(NC(=O)COc3ccccc3[N+](=O)[O-])cccc12 ZINC001289078234 1381976252 /nfs/dbraw/zinc/97/62/52/1381976252.db2.gz QOAPMNBXDQFDAX-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN Cc1cc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001289341555 1381993117 /nfs/dbraw/zinc/99/31/17/1381993117.db2.gz WBNCDZCAHOKZHW-LBPRGKRZSA-N 0 0 343.339 3.345 10 5 EGBERN C[S@](=O)(=NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289708277 1382008450 /nfs/dbraw/zinc/00/84/50/1382008450.db2.gz TYZWXARCWJMJHE-NOENIZQJSA-N 0 0 348.355 3.431 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCO[C@H](C)c2ccccc2)n1 ZINC001290326783 1382081624 /nfs/dbraw/zinc/08/16/24/1382081624.db2.gz CYCXRPPGIFZYTB-CQSZACIVSA-N 0 0 343.383 3.196 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001161695229 1382482989 /nfs/dbraw/zinc/48/29/89/1382482989.db2.gz WJDSPOCFRINMCP-SNVBAGLBSA-N 0 0 346.314 3.263 10 5 EGBERN COC(=O)CSc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001161935914 1382559831 /nfs/dbraw/zinc/55/98/31/1382559831.db2.gz MGOIYLYFBYUFTG-UHFFFAOYSA-N 0 0 331.349 3.091 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(SC[C@H]2CC2(Cl)Cl)n1 ZINC001162210161 1382657269 /nfs/dbraw/zinc/65/72/69/1382657269.db2.gz FPMJQMZVXFXXMJ-ZCFIWIBFSA-N 0 0 337.184 3.062 10 5 EGBERN Cc1ccc(CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])cc1 ZINC001162514643 1382778485 /nfs/dbraw/zinc/77/84/85/1382778485.db2.gz AFSPUGVAHXVXFK-UHFFFAOYSA-N 0 0 337.379 3.410 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc2n[nH]cc21 ZINC001295863941 1382847645 /nfs/dbraw/zinc/84/76/45/1382847645.db2.gz ZBGRBJOLTLEDPL-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN CN(CCOC(C)(C)C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162799526 1382875940 /nfs/dbraw/zinc/87/59/40/1382875940.db2.gz BOZWVVYEOMPRHG-UHFFFAOYSA-N 0 0 348.359 3.303 10 5 EGBERN COc1cc(F)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001295988377 1382892446 /nfs/dbraw/zinc/89/24/46/1382892446.db2.gz PSQAESFXQNSKBR-UHFFFAOYSA-N 0 0 348.265 3.010 10 5 EGBERN COC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001162935959 1382921322 /nfs/dbraw/zinc/92/13/22/1382921322.db2.gz ANGKWKQJZYHFAL-UHFFFAOYSA-N 0 0 328.368 3.125 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2CCO)cc1C ZINC001163127147 1382971366 /nfs/dbraw/zinc/97/13/66/1382971366.db2.gz KJQLFNHDNMEEHX-JSGCOSHPSA-N 0 0 336.388 3.043 10 5 EGBERN Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(-c2cccs2)n1 ZINC001163197348 1382990677 /nfs/dbraw/zinc/99/06/77/1382990677.db2.gz FTSPCXFKTDEIPI-UHFFFAOYSA-N 0 0 340.408 3.498 10 5 EGBERN CCOc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC001163450533 1383054676 /nfs/dbraw/zinc/05/46/76/1383054676.db2.gz WFDZJWNPGCQYFY-GFCCVEGCSA-N 0 0 330.388 3.383 10 5 EGBERN Cn1c2ccccc2c(NC[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])c1=O ZINC001163566198 1383080769 /nfs/dbraw/zinc/08/07/69/1383080769.db2.gz RRDIKZNPGVGTMJ-JSGCOSHPSA-N 0 0 327.384 3.295 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(F)c(Oc2ncc([N+](=O)[O-])cn2)c1 ZINC001163605481 1383087681 /nfs/dbraw/zinc/08/76/81/1383087681.db2.gz LHOGJRATZSQDKU-UHFFFAOYSA-N 0 0 335.291 3.272 10 5 EGBERN Cc1c(Br)c(N2CCC=C(Cl)C2)ncc1[N+](=O)[O-] ZINC001163642138 1383094343 /nfs/dbraw/zinc/09/43/43/1383094343.db2.gz AHOMBVIHZZHDCR-UHFFFAOYSA-N 0 0 332.585 3.394 10 5 EGBERN CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](Cc2ccccc2)C1 ZINC001163662566 1383097215 /nfs/dbraw/zinc/09/72/15/1383097215.db2.gz NYCFENZIHUXADA-HNNXBMFYSA-N 0 0 347.365 3.236 10 5 EGBERN CCOC(=O)[C@@]1(F)CN(c2cc(C)sc2[N+](=O)[O-])CC12CCC2 ZINC001163707231 1383110522 /nfs/dbraw/zinc/11/05/22/1383110522.db2.gz ZFKUYNIDVFVJST-HNNXBMFYSA-N 0 0 342.392 3.226 10 5 EGBERN Cc1cnc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001163734183 1383116305 /nfs/dbraw/zinc/11/63/05/1383116305.db2.gz UBIGUBCAYHAAJA-CQSZACIVSA-N 0 0 327.319 3.362 10 5 EGBERN CC(=O)c1ccc(NCCCN(C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001163996683 1383144403 /nfs/dbraw/zinc/14/44/03/1383144403.db2.gz PCZXCPBRFIZBHS-UHFFFAOYSA-N 0 0 328.372 3.131 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3c4ccccc4OC[C@H]3F)nc2c1 ZINC001164114261 1383157640 /nfs/dbraw/zinc/15/76/40/1383157640.db2.gz CBNIRMNZQJLLNP-ABAIWWIYSA-N 0 0 328.303 3.355 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC001164114778 1383157730 /nfs/dbraw/zinc/15/77/30/1383157730.db2.gz TZFNQVBPWCVMIU-WBMJQRKESA-N 0 0 346.314 3.265 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC2(CCC2)CO1 ZINC001164158508 1383161566 /nfs/dbraw/zinc/16/15/66/1383161566.db2.gz LHUIPMFFSJQMEN-GFCCVEGCSA-N 0 0 334.372 3.061 10 5 EGBERN CNc1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001164190737 1383164711 /nfs/dbraw/zinc/16/47/11/1383164711.db2.gz LDPBBQKBZJIGEM-UHFFFAOYSA-N 0 0 343.774 3.267 10 5 EGBERN Cc1cc(NCCO[C@H]2CCOC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164200568 1383165407 /nfs/dbraw/zinc/16/54/07/1383165407.db2.gz DCRJOCXMWWSEGK-JTQLQIEISA-N 0 0 334.294 3.139 10 5 EGBERN CN(Cc1cccc(=O)[nH]1)c1cccc(Br)c1[N+](=O)[O-] ZINC001164205535 1383165882 /nfs/dbraw/zinc/16/58/82/1383165882.db2.gz AECYWHTVPOEUSA-UHFFFAOYSA-N 0 0 338.161 3.094 10 5 EGBERN Cc1csc(C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001164205558 1383165886 /nfs/dbraw/zinc/16/58/86/1383165886.db2.gz AXVMMDAJBXJYIO-NSHDSACASA-N 0 0 348.384 3.337 10 5 EGBERN COC(=O)c1cnc(CCNc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC001164276126 1383173919 /nfs/dbraw/zinc/17/39/19/1383173919.db2.gz BBLSUBWNGPSBPI-UHFFFAOYSA-N 0 0 341.776 3.146 10 5 EGBERN CCOC(=O)[C@H](CC)SCCCOc1ccc([N+](=O)[O-])cc1 ZINC001165768888 1383342929 /nfs/dbraw/zinc/34/29/29/1383342929.db2.gz NDALMUXBGLUEDN-AWEZNQCLSA-N 0 0 327.402 3.439 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)F)C1CC1 ZINC001298118779 1383366250 /nfs/dbraw/zinc/36/62/50/1383366250.db2.gz QCFAXDAOUUWJAA-UHFFFAOYSA-N 0 0 341.293 3.014 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1nccs1 ZINC001165952584 1383369542 /nfs/dbraw/zinc/36/95/42/1383369542.db2.gz NPNXGEILWFRYTO-SSDOTTSWSA-N 0 0 327.362 3.310 10 5 EGBERN CCOC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001299217377 1383488100 /nfs/dbraw/zinc/48/81/00/1383488100.db2.gz UXWADEMSMGGSAZ-CYBMUJFWSA-N 0 0 340.807 3.208 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN[C@@H](c2ccccc2)C1 ZINC001299398734 1383525682 /nfs/dbraw/zinc/52/56/82/1383525682.db2.gz NPOVCPBYDGDHCG-CQSZACIVSA-N 0 0 345.786 3.035 10 5 EGBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001299825559 1383630569 /nfs/dbraw/zinc/63/05/69/1383630569.db2.gz YUOPNYMXQXAOOL-IUODEOHRSA-N 0 0 331.416 3.465 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(OC)c(O)c1 ZINC001299862789 1383632716 /nfs/dbraw/zinc/63/27/16/1383632716.db2.gz VJOSTRZNPGJTDP-YWEYNIOJSA-N 0 0 343.339 3.003 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCc2ccc(F)cc21 ZINC001300158192 1383649155 /nfs/dbraw/zinc/64/91/55/1383649155.db2.gz YAQUWNYTIICEOT-NSHDSACASA-N 0 0 343.358 3.118 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@](C)(O)c1ccccc1 ZINC001300227382 1383653775 /nfs/dbraw/zinc/65/37/75/1383653775.db2.gz IIDPFHKAVXUZAS-KPZWWZAWSA-N 0 0 346.358 3.068 10 5 EGBERN CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001300444916 1383665079 /nfs/dbraw/zinc/66/50/79/1383665079.db2.gz FMMHNIFBMBZBTJ-UHFFFAOYSA-N 0 0 339.395 3.499 10 5 EGBERN CC1(C)CC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC(C)(C)C1 ZINC001300507888 1383668006 /nfs/dbraw/zinc/66/80/06/1383668006.db2.gz FYCUZZSZQCLRCH-UHFFFAOYSA-N 0 0 334.420 3.154 10 5 EGBERN Cc1nnc(CN(C)C(=O)c2cc3ccccc3c3cccnc23)o1 ZINC001300525653 1383668675 /nfs/dbraw/zinc/66/86/75/1383668675.db2.gz NZUUZVWOTHKHJZ-UHFFFAOYSA-N 0 0 332.363 3.352 10 5 EGBERN C[C@H]1CC[C@@](C)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1(C)C ZINC001300519597 1383669081 /nfs/dbraw/zinc/66/90/81/1383669081.db2.gz KZIJKSWUBVKGKX-RTHLEPHNSA-N 0 0 328.800 3.164 10 5 EGBERN CCSc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC001303074881 1383781288 /nfs/dbraw/zinc/78/12/88/1383781288.db2.gz DONQKVUJQHYLIV-UHFFFAOYSA-N 0 0 331.397 3.219 10 5 EGBERN CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC001306670159 1383899818 /nfs/dbraw/zinc/89/98/18/1383899818.db2.gz FJBBEGIOEPWCIW-UHFFFAOYSA-N 0 0 343.383 3.183 10 5 EGBERN COC(=O)c1ccnc(N(C)C/C(C)=C\c2ccccc2)c1[N+](=O)[O-] ZINC001307096558 1383939362 /nfs/dbraw/zinc/93/93/62/1383939362.db2.gz SXYXEXJUWVLZBF-QBFSEMIESA-N 0 0 341.367 3.316 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307137645 1383943978 /nfs/dbraw/zinc/94/39/78/1383943978.db2.gz DGTFUMFBWUVODS-ZJUUUORDSA-N 0 0 346.717 3.126 10 5 EGBERN Cc1cc(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])nn1C ZINC001307205242 1383955849 /nfs/dbraw/zinc/95/58/49/1383955849.db2.gz YZGAZCLMBPPKLU-UHFFFAOYSA-N 0 0 328.294 3.310 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001307208174 1383957035 /nfs/dbraw/zinc/95/70/35/1383957035.db2.gz GWMLMXZEHQNKNI-GDBMZVCRSA-N 0 0 344.440 3.135 10 5 EGBERN CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307228196 1383960881 /nfs/dbraw/zinc/96/08/81/1383960881.db2.gz OAESUDSRMGYMKA-UMSPYCQHSA-N 0 0 339.367 3.449 10 5 EGBERN O=c1ccc(-c2ccccc2)nn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307295849 1383968044 /nfs/dbraw/zinc/96/80/44/1383968044.db2.gz NLZVWAWCUMZMRH-UHFFFAOYSA-N 0 0 325.299 3.006 10 5 EGBERN Cn1c(SCc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC001307314770 1383969745 /nfs/dbraw/zinc/96/97/45/1383969745.db2.gz USLACCDCZRPMPO-UHFFFAOYSA-N 0 0 345.359 3.217 10 5 EGBERN O=[N+]([O-])c1cn(Cc2cc(-c3ccccc3)no2)c(Br)n1 ZINC001307373849 1383978793 /nfs/dbraw/zinc/97/87/93/1383978793.db2.gz LHUDXHLNWBANJH-UHFFFAOYSA-N 0 0 349.144 3.257 10 5 EGBERN Cc1cnc(COc2ccc(Br)c(C)c2[N+](=O)[O-])nc1 ZINC001307404980 1383983954 /nfs/dbraw/zinc/98/39/54/1383983954.db2.gz ZQEODYMKHSGPIM-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN O=[N+]([O-])c1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC001308008814 1384074797 /nfs/dbraw/zinc/07/47/97/1384074797.db2.gz RAXGYONWWKJUDR-UHFFFAOYSA-N 0 0 347.365 3.238 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001308066604 1384084412 /nfs/dbraw/zinc/08/44/12/1384084412.db2.gz CUEYKOIFXCWGDV-MEDUHNTESA-N 0 0 332.331 3.299 10 5 EGBERN Cc1cnc(F)c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001169727202 1384179126 /nfs/dbraw/zinc/17/91/26/1384179126.db2.gz ZRZRSDDSTGLSDG-UHFFFAOYSA-N 0 0 341.701 3.160 10 5 EGBERN CCCc1occc1C(=O)NCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001316593965 1384463050 /nfs/dbraw/zinc/46/30/50/1384463050.db2.gz GRZZRMGTZSPSOY-UHFFFAOYSA-N 0 0 349.362 3.146 10 5 EGBERN Cc1c(CC(=O)NCc2cc(O)ccc2Cl)cccc1[N+](=O)[O-] ZINC001176152077 1385496457 /nfs/dbraw/zinc/49/64/57/1385496457.db2.gz POICWAYFLLRNSE-UHFFFAOYSA-N 0 0 334.759 3.121 10 5 EGBERN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001177934757 1386087719 /nfs/dbraw/zinc/08/77/19/1386087719.db2.gz VGYDWCFVHDFHHT-NNBCDOKZSA-N 0 0 348.399 3.092 10 5 EGBERN CCS(=O)(CC)=NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001178475361 1386227819 /nfs/dbraw/zinc/22/78/19/1386227819.db2.gz KVHYOJZOHOHOJC-UHFFFAOYSA-N 0 0 342.420 3.329 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H]1c2ccccc2OC[C@@H]1C ZINC001320242785 1386562219 /nfs/dbraw/zinc/56/22/19/1386562219.db2.gz SPGBDNXNTCKXPM-QFYYESIMSA-N 0 0 328.324 3.225 10 5 EGBERN Cc1ccc(NC(=O)CSc2ccc(F)cc2)c(N)c1[N+](=O)[O-] ZINC001179875488 1386614584 /nfs/dbraw/zinc/61/45/84/1386614584.db2.gz XZKKLOXEWRCDNJ-UHFFFAOYSA-N 0 0 335.360 3.355 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1Br ZINC001321117448 1386814259 /nfs/dbraw/zinc/81/42/59/1386814259.db2.gz HASRGEZSBLUSKR-UWVGGRQHSA-N 0 0 343.221 3.091 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1nc(C)c(C)s1 ZINC001321183654 1386834543 /nfs/dbraw/zinc/83/45/43/1386834543.db2.gz GWHLSEOCSJTVBX-UHFFFAOYSA-N 0 0 335.385 3.248 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001181062339 1386928335 /nfs/dbraw/zinc/92/83/35/1386928335.db2.gz IGBVXPDGWUNPIA-CYBMUJFWSA-N 0 0 334.420 3.484 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccncc2)s1 ZINC001322721238 1387230078 /nfs/dbraw/zinc/23/00/78/1387230078.db2.gz NLRBEEXXAFOPIF-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN COc1cc(COC(=O)c2ccc3c(c2)CCOC3)ccc1[N+](=O)[O-] ZINC001329492943 1389130893 /nfs/dbraw/zinc/13/08/93/1389130893.db2.gz NZQDGXODEIELJK-UHFFFAOYSA-N 0 0 343.335 3.033 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1F ZINC001329653469 1389197516 /nfs/dbraw/zinc/19/75/16/1389197516.db2.gz DQMFCEJRUHUANQ-JFUSQASVSA-N 0 0 328.290 3.206 10 5 EGBERN CS[C@@H]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001329773158 1389223594 /nfs/dbraw/zinc/22/35/94/1389223594.db2.gz KRYCSIUCSAFPFP-CMPLNLGQSA-N 0 0 333.413 3.432 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCCO1 ZINC001329939247 1389268009 /nfs/dbraw/zinc/26/80/09/1389268009.db2.gz GXIJVFCTKDCFEI-SJORKVTESA-N 0 0 347.415 3.010 10 5 EGBERN Cc1c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001337691443 1389419465 /nfs/dbraw/zinc/41/94/65/1389419465.db2.gz PWVQEUKZVQJZFX-OASPWFOLSA-N 0 0 344.289 3.286 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC001330631626 1389477136 /nfs/dbraw/zinc/47/71/36/1389477136.db2.gz NQOMEFDAXCEOKW-MSOLQXFVSA-N 0 0 340.379 3.241 10 5 EGBERN CC1(C)CC[C@@H](O)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001330631518 1389477218 /nfs/dbraw/zinc/47/72/18/1389477218.db2.gz KGCKVNISACYDQG-HZPDHXFCSA-N 0 0 346.427 3.072 10 5 EGBERN C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H](C)O1 ZINC001330667029 1389489935 /nfs/dbraw/zinc/48/99/35/1389489935.db2.gz VEZLKPWMZLGLOB-MNOVXSKESA-N 0 0 338.795 3.055 10 5 EGBERN CC(C)(NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001330720364 1389508573 /nfs/dbraw/zinc/50/85/73/1389508573.db2.gz UDSVCUYNKPZSKH-LMKPVCQUSA-N 0 0 339.342 3.173 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1F ZINC001331243740 1389666316 /nfs/dbraw/zinc/66/63/16/1389666316.db2.gz JHIRCTVWMRMNJA-HRDYMLBCSA-N 0 0 346.280 3.345 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001338988945 1389851799 /nfs/dbraw/zinc/85/17/99/1389851799.db2.gz QZWXBFLNLQOLPB-UHFFFAOYSA-N 0 0 332.400 3.421 10 5 EGBERN C[C@@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[C@]1(F)Cl ZINC001332586820 1390137924 /nfs/dbraw/zinc/13/79/24/1390137924.db2.gz FGAGGKRRFRUJHW-HUUCEWRRSA-N 0 0 341.770 3.325 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[C@@H](C(F)(F)F)O1)C2 ZINC001332659011 1390145380 /nfs/dbraw/zinc/14/53/80/1390145380.db2.gz ZZNSCPYZOGMKPR-KGLIPLIRSA-N 0 0 330.306 3.410 10 5 EGBERN CCC(CC)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333292697 1390277448 /nfs/dbraw/zinc/27/74/48/1390277448.db2.gz ZLZFSRDKYZAWMO-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN CCN(Cc1ccccc1F)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001341745370 1390524408 /nfs/dbraw/zinc/52/44/08/1390524408.db2.gz ZUUFSBWQEPEREX-UHFFFAOYSA-N 0 0 347.346 3.250 10 5 EGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)cn1 ZINC001334939278 1390623898 /nfs/dbraw/zinc/62/38/98/1390623898.db2.gz KCJFXSMECOZFGR-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN O=C(O[C@H]1C[C@@H](OCC(F)F)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001344210948 1390771708 /nfs/dbraw/zinc/77/17/08/1390771708.db2.gz YUQCCGCSPGZGHA-RFQIPJPRSA-N 0 0 341.310 3.054 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC001344402003 1390789155 /nfs/dbraw/zinc/78/91/55/1390789155.db2.gz GQYMUZQNTVTGLH-CQSZACIVSA-N 0 0 332.356 3.263 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[C@@]12CCOC2 ZINC001345144225 1390841220 /nfs/dbraw/zinc/84/12/20/1390841220.db2.gz RFKVFWKVZSDLDV-MQIPJXDCSA-N 0 0 337.397 3.045 10 5 EGBERN Cc1cc(NC(=O)NC2CC3(C2)COC(C)(C)C3)cc([N+](=O)[O-])c1 ZINC001345490365 1390862271 /nfs/dbraw/zinc/86/22/71/1390862271.db2.gz ZIBBZMGUOWLEQD-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1nc(C)c(CCOC(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC001345661404 1390873429 /nfs/dbraw/zinc/87/34/29/1390873429.db2.gz FCASLBGFODEIBH-UHFFFAOYSA-N 0 0 334.397 3.387 10 5 EGBERN Cc1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cc([N+](=O)[O-])c1 ZINC001346657212 1390966832 /nfs/dbraw/zinc/96/68/32/1390966832.db2.gz OFEYLXYLQZJBAE-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN CNc1ccc(C(=O)OC[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001346763635 1390977900 /nfs/dbraw/zinc/97/79/00/1390977900.db2.gz KVKWYJKDONPMHH-GFCCVEGCSA-N 0 0 334.372 3.143 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001347533714 1391089012 /nfs/dbraw/zinc/08/90/12/1391089012.db2.gz CDJYKTMAXGWOFN-ZBFHGGJFSA-N 0 0 349.387 3.169 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1OCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001347546506 1391091102 /nfs/dbraw/zinc/09/11/02/1391091102.db2.gz QKJJFYVVZCJFKP-KRWDZBQOSA-N 0 0 340.379 3.260 10 5 EGBERN CNc1nccc(C(=O)N2CCC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001347643863 1391104997 /nfs/dbraw/zinc/10/49/97/1391104997.db2.gz DCMPKVXUHPHRCL-ZDUSSCGKSA-N 0 0 332.404 3.074 10 5 EGBERN Cc1ccc(CNC(=O)N2CCO[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001347776650 1391123260 /nfs/dbraw/zinc/12/32/60/1391123260.db2.gz IICUGRCCZGDQJJ-INIZCTEOSA-N 0 0 349.431 3.250 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC001347986478 1391155074 /nfs/dbraw/zinc/15/50/74/1391155074.db2.gz KPWFWDJTTHFYJO-LLVKDONJSA-N 0 0 343.387 3.397 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2Br)n1 ZINC001348134432 1391177555 /nfs/dbraw/zinc/17/75/55/1391177555.db2.gz WDZWYZFPZUUQAA-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN C[C@H](c1nnc(N2CCC(C(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348144311 1391178635 /nfs/dbraw/zinc/17/86/35/1391178635.db2.gz BDVJTIKANIKVPX-GFCCVEGCSA-N 0 0 335.452 3.288 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001348467227 1391223854 /nfs/dbraw/zinc/22/38/54/1391223854.db2.gz HFIITDQLQZTNOK-CQSZACIVSA-N 0 0 330.315 3.411 10 5 EGBERN C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC001348967164 1391290660 /nfs/dbraw/zinc/29/06/60/1391290660.db2.gz ILBCYGRHLWHHRQ-IBGZPJMESA-N 0 0 339.395 3.027 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCOc2cccc(Cl)c2)n1 ZINC001349128774 1391304914 /nfs/dbraw/zinc/30/49/14/1391304914.db2.gz IMBSCVJQZLUTSS-UHFFFAOYSA-N 0 0 349.774 3.103 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2N2CCCC2)n1 ZINC001349315812 1391320745 /nfs/dbraw/zinc/32/07/45/1391320745.db2.gz DYKCOUFIBJXIDF-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN COc1cccc(COC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001349620850 1391345786 /nfs/dbraw/zinc/34/57/86/1391345786.db2.gz GNPIWJZLRNLZMV-DLBZAZTESA-N 0 0 327.336 3.450 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC001349805379 1391369411 /nfs/dbraw/zinc/36/94/11/1391369411.db2.gz INZICCTXPIWFST-LLVKDONJSA-N 0 0 336.369 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001349825514 1391372701 /nfs/dbraw/zinc/37/27/01/1391372701.db2.gz LIKUYDDDRIEREF-LSDHHAIUSA-N 0 0 332.400 3.161 10 5 EGBERN O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC001349950762 1391389556 /nfs/dbraw/zinc/38/95/56/1391389556.db2.gz HXEZHRQKIIRVSW-UHFFFAOYSA-N 0 0 346.240 3.305 10 5 EGBERN CC[C@@](C)(O)CCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001350334749 1391449165 /nfs/dbraw/zinc/44/91/65/1391449165.db2.gz PORYQOVULDAXFO-CYBMUJFWSA-N 0 0 335.278 3.322 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001350389813 1391457358 /nfs/dbraw/zinc/45/73/58/1391457358.db2.gz VOUAVVWEERAHLS-UHFFFAOYSA-N 0 0 332.296 3.404 10 5 EGBERN COC(=O)/C=C\c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC001350395904 1391458570 /nfs/dbraw/zinc/45/85/70/1391458570.db2.gz CZILXBNEHSVDJT-ALCCZGGFSA-N 0 0 344.323 3.243 10 5 EGBERN O=C(OCc1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001350467499 1391468015 /nfs/dbraw/zinc/46/80/15/1391468015.db2.gz GXCRLINVXBTJOQ-UHFFFAOYSA-N 0 0 337.335 3.197 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc3c(c2)OCO3)CC1 ZINC001350510267 1391472867 /nfs/dbraw/zinc/47/28/67/1391472867.db2.gz OSOQNWOFIHSIIP-UHFFFAOYSA-N 0 0 341.319 3.099 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350535707 1391476870 /nfs/dbraw/zinc/47/68/70/1391476870.db2.gz NNXPWASLYGJZDM-BNOWGMLFSA-N 0 0 337.326 3.054 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 ZINC001351310959 1391624896 /nfs/dbraw/zinc/62/48/96/1391624896.db2.gz HYLQKVVUZSIBPW-SECBINFHSA-N 0 0 332.287 3.205 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001351378598 1391633917 /nfs/dbraw/zinc/63/39/17/1391633917.db2.gz AOCXDAFYNWPLEM-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN Cc1ccc(COCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001351887381 1391710694 /nfs/dbraw/zinc/71/06/94/1391710694.db2.gz JOSKONCKVQHOQH-UHFFFAOYSA-N 0 0 336.294 3.337 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1 ZINC001352635157 1391826922 /nfs/dbraw/zinc/82/69/22/1391826922.db2.gz VLNRCVZAFYYQQN-GFCCVEGCSA-N 0 0 329.331 3.199 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])cc1C ZINC001352664164 1391830083 /nfs/dbraw/zinc/83/00/83/1391830083.db2.gz FNTFEHJTYXSIGC-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc(OC)c1C ZINC001352701958 1391834071 /nfs/dbraw/zinc/83/40/71/1391834071.db2.gz BVEJCJBFCXVZAZ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353229769 1391966789 /nfs/dbraw/zinc/96/67/89/1391966789.db2.gz TZXXFSSXVLWIOJ-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001353253893 1391975163 /nfs/dbraw/zinc/97/51/63/1391975163.db2.gz BDJJHPWQHYNHAB-GXMKHXEJSA-N 0 0 345.307 3.292 10 5 EGBERN Cc1cnc2cc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)ccn12 ZINC001353255993 1391976205 /nfs/dbraw/zinc/97/62/05/1391976205.db2.gz WRIATKZGTNRKBK-GFCCVEGCSA-N 0 0 325.324 3.469 10 5 EGBERN COc1cc(Cc2noc(C[C@@H]3C[C@H]3C3CC3)n2)ccc1[N+](=O)[O-] ZINC001353617474 1392052188 /nfs/dbraw/zinc/05/21/88/1392052188.db2.gz QCPQVPCISLKDRH-STQMWFEESA-N 0 0 329.356 3.166 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353901585 1392106926 /nfs/dbraw/zinc/10/69/26/1392106926.db2.gz VMJGZAXFAHNNBU-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN O=C(Nc1ccnc2ccccc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354485515 1392147228 /nfs/dbraw/zinc/14/72/28/1392147228.db2.gz YWFOEYNIHXMGNI-JKSUJKDBSA-N 0 0 333.347 3.307 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1c(C(F)F)nc2ccccn21 ZINC001354563060 1392152872 /nfs/dbraw/zinc/15/28/72/1392152872.db2.gz HQTWVTRULQCWKO-UHFFFAOYSA-N 0 0 346.293 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(-c3cccnc3)cs2)n1 ZINC001354812655 1392170654 /nfs/dbraw/zinc/17/06/54/1392170654.db2.gz NLGQRMIMUMKPPI-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN O=C(Cc1ccc2c(c1)CCCO2)Nc1cc([N+](=O)[O-])ccc1F ZINC001355004843 1392185029 /nfs/dbraw/zinc/18/50/29/1392185029.db2.gz PSXFJJNGBUDAND-UHFFFAOYSA-N 0 0 330.315 3.240 10 5 EGBERN COc1ccc(NC(=O)C[C@H]2OCc3ccccc32)c([N+](=O)[O-])c1 ZINC001355055708 1392189880 /nfs/dbraw/zinc/18/98/80/1392189880.db2.gz KOVPWEFCBRVKBL-MRXNPFEDSA-N 0 0 328.324 3.204 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001355066270 1392190844 /nfs/dbraw/zinc/19/08/44/1392190844.db2.gz KNBWSFGWUIKNSR-MRXNPFEDSA-N 0 0 325.324 3.035 10 5 EGBERN CC1(CC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC001480355890 1392702884 /nfs/dbraw/zinc/70/28/84/1392702884.db2.gz ZVRKBLWTXDCSHW-UHFFFAOYSA-N 0 0 345.443 3.209 10 5 EGBERN COC[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001687700623 1396463870 /nfs/dbraw/zinc/46/38/70/1396463870.db2.gz BRHSLKYNOSUXCP-ZDUSSCGKSA-N 0 0 337.420 3.048 10 5 EGBERN CC(C)CC(C)(C)C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001713473808 1418149019 /nfs/dbraw/zinc/14/90/19/1418149019.db2.gz XNUUMTFGNKLMTL-UHFFFAOYSA-N 0 0 335.448 3.215 10 5 EGBERN CC/C(C)=C/C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001713556583 1418349121 /nfs/dbraw/zinc/34/91/21/1418349121.db2.gz SVJODSGCORWTQQ-XYOKQWHBSA-N 0 0 337.445 3.093 10 5 EGBERN CN(CCNC(=O)CC1=CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714540888 1419266677 /nfs/dbraw/zinc/26/66/77/1419266677.db2.gz XPQHBKYNSMROOO-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN Cc1ccccc1C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001715507912 1420191622 /nfs/dbraw/zinc/19/16/22/1420191622.db2.gz BDFTYBBHVZNKEO-UHFFFAOYSA-N 0 0 341.411 3.107 10 5 EGBERN CCC1(C(=O)NCC2=CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001718027711 1421781403 /nfs/dbraw/zinc/78/14/03/1421781403.db2.gz UQGKCHQIZAHDGR-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN CC/C(C)=C/C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001725814302 1426490809 /nfs/dbraw/zinc/49/08/09/1426490809.db2.gz SGOPMCTXCNRFIX-RVDMUPIBSA-N 0 0 343.427 3.199 10 5 EGBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1C(C)C ZINC001726361793 1427050540 /nfs/dbraw/zinc/05/05/40/1427050540.db2.gz FWRUKDCDOLLULU-DLBZAZTESA-N 0 0 343.431 3.391 10 5 EGBERN O=C(C=C1CCC1)NCCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001731331858 1427270723 /nfs/dbraw/zinc/27/07/23/1427270723.db2.gz XDUNDWJLLVLVAC-UHFFFAOYSA-N 0 0 349.456 3.237 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1C[C@@H]1C ZINC001751887496 1440125508 /nfs/dbraw/zinc/12/55/08/1440125508.db2.gz JVEWKRVSXSRFHF-WFASDCNBSA-N 0 0 341.415 3.320 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001752039483 1440134637 /nfs/dbraw/zinc/13/46/37/1440134637.db2.gz MYRDVDGEWXTYJZ-WFASDCNBSA-N 0 0 341.415 3.356 10 5 EGBERN C[C@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001762965425 1441380818 /nfs/dbraw/zinc/38/08/18/1441380818.db2.gz DXSQBJWWRIVHNY-TYNCELHUSA-N 0 0 327.388 3.280 10 5 EGBERN CCCCCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001763995583 1441387009 /nfs/dbraw/zinc/38/70/09/1441387009.db2.gz HOPJVGWCFQZKAX-UHFFFAOYSA-N 0 0 329.404 3.248 10 5 EGBERN CCC[C@@H]1C[C@H]1n1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001766341233 1441401051 /nfs/dbraw/zinc/40/10/51/1441401051.db2.gz VBRDEOBHHUHBNO-CZUORRHYSA-N 0 0 329.404 3.492 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000368457049 168358820 /nfs/dbraw/zinc/35/88/20/168358820.db2.gz GBUOKLSWSUHRQH-KRWDZBQOSA-N 0 0 333.363 3.279 10 5 EGBERN CCC(=O)c1ccc(N2CC(O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000369078425 168399426 /nfs/dbraw/zinc/39/94/26/168399426.db2.gz PLOQENNLVIPHRI-UHFFFAOYSA-N 0 0 344.342 3.034 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000187349520 529638381 /nfs/dbraw/zinc/63/83/81/529638381.db2.gz FMGQCSFMYIPFQF-CABCVRRESA-N 0 0 347.371 3.062 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000103054526 219250630 /nfs/dbraw/zinc/25/06/30/219250630.db2.gz LSNAKXUMDWMLJO-HUUCEWRRSA-N 0 0 336.436 3.129 10 5 EGBERN CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000016738806 201979097 /nfs/dbraw/zinc/97/90/97/201979097.db2.gz TVRKTKCNXMMCFF-UHFFFAOYSA-N 0 0 343.427 3.346 10 5 EGBERN Cc1csc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183315424 235004017 /nfs/dbraw/zinc/00/40/17/235004017.db2.gz YOXXOVLJOZVTIN-HNNXBMFYSA-N 0 0 333.413 3.242 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000183397231 235048808 /nfs/dbraw/zinc/04/88/08/235048808.db2.gz CJZQPSZFNSJIKJ-UHFFFAOYSA-N 0 0 342.321 3.288 10 5 EGBERN CCCCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984366 202077823 /nfs/dbraw/zinc/07/78/23/202077823.db2.gz MWCUZZHERRIERJ-SNVBAGLBSA-N 0 0 334.825 3.495 10 5 EGBERN C[C@@H](c1ccc(F)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025493088 202132614 /nfs/dbraw/zinc/13/26/14/202132614.db2.gz VXGHMAUYVNHOPR-JTQLQIEISA-N 0 0 331.351 3.296 10 5 EGBERN COc1cc2cc3c(=O)nc(-c4ccccc4)nc-3[nH]c2cc1OC ZINC000026645435 202146864 /nfs/dbraw/zinc/14/68/64/202146864.db2.gz YNYUUXQWEWCUPL-UHFFFAOYSA-N 0 0 333.347 3.156 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@@H]2CCCO2)CC1 ZINC000187528116 236236058 /nfs/dbraw/zinc/23/60/58/236236058.db2.gz XAGSREUBTYJXNK-KRWDZBQOSA-N 0 0 343.383 3.107 10 5 EGBERN NC(=O)c1ccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000110601027 283378999 /nfs/dbraw/zinc/37/89/99/283378999.db2.gz RWXHOUMWPZNOHG-ZDUSSCGKSA-N 0 0 345.786 3.341 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Br)c[nH]1 ZINC000035179558 202290340 /nfs/dbraw/zinc/29/03/40/202290340.db2.gz JTNWGLHDXWAMHM-UHFFFAOYSA-N 0 0 328.097 3.077 10 5 EGBERN CCn1cnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21 ZINC000035453467 202302616 /nfs/dbraw/zinc/30/26/16/202302616.db2.gz BHLWYZRPDJVGBH-UHFFFAOYSA-N 0 0 325.284 3.274 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nnc2n1CCCC2 ZINC000131155523 223209381 /nfs/dbraw/zinc/20/93/81/223209381.db2.gz NZZZZQJJMDDXAE-NSHDSACASA-N 0 0 338.371 3.244 10 5 EGBERN NC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000067650269 201161101 /nfs/dbraw/zinc/16/11/01/201161101.db2.gz KAANILRHNAREFG-UHFFFAOYSA-N 0 0 340.257 3.292 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000191382059 239079786 /nfs/dbraw/zinc/07/97/86/239079786.db2.gz WQZJRDGFUJDLAS-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000054624898 202673029 /nfs/dbraw/zinc/67/30/29/202673029.db2.gz ZPFVUMFMGJPJPQ-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(C)=O ZINC000000041875 201425475 /nfs/dbraw/zinc/42/54/75/201425475.db2.gz WZSPBJPZAYTWPP-UHFFFAOYSA-N 0 0 334.353 3.458 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000194769738 240710179 /nfs/dbraw/zinc/71/01/79/240710179.db2.gz FQCRKGFTDALLRH-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN CC1=CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230809082 242265424 /nfs/dbraw/zinc/26/54/24/242265424.db2.gz JBLWWKMWLQTCHO-UHFFFAOYSA-N 0 0 325.162 3.150 10 5 EGBERN Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000002047389 201523964 /nfs/dbraw/zinc/52/39/64/201523964.db2.gz DYTKVFHLKPDNRW-UHFFFAOYSA-N 0 0 328.357 3.143 10 5 in-vivo EGBERN C[S@@](=O)Cc1cc(Nc2ncccc2[N+](=O)[O-])ccc1Cl ZINC000071908986 203146511 /nfs/dbraw/zinc/14/65/11/203146511.db2.gz VQTXFGAVSPKLFF-NRFANRHFSA-N 0 0 325.777 3.265 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000071893150 203139212 /nfs/dbraw/zinc/13/92/12/203139212.db2.gz CLMNPTSXJNUHFB-NSHDSACASA-N 0 0 345.424 3.350 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000078439312 203418178 /nfs/dbraw/zinc/41/81/78/203418178.db2.gz WORZJLQJXGIHMB-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN CCN1c2cc(OC)ccc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000100898351 204000018 /nfs/dbraw/zinc/00/00/18/204000018.db2.gz ALDPWHDAAMBPGP-UHFFFAOYSA-N 0 0 339.351 3.481 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109091977 204277006 /nfs/dbraw/zinc/27/70/06/204277006.db2.gz CPGKPXYKFFGJAW-CABCVRRESA-N 0 0 346.333 3.335 10 5 EGBERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116476670 204532452 /nfs/dbraw/zinc/53/24/52/204532452.db2.gz RMWMBYYNTZYYHD-SNVBAGLBSA-N 0 0 349.778 3.003 10 5 EGBERN CCO[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000150811606 205584886 /nfs/dbraw/zinc/58/48/86/205584886.db2.gz KGILHRSCWGXAOH-JKSUJKDBSA-N 0 0 343.383 3.154 10 5 EGBERN Cc1csc(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000263882514 245806781 /nfs/dbraw/zinc/80/67/81/245806781.db2.gz QPHSITKOVJQPSA-UHFFFAOYSA-N 0 0 333.413 3.421 10 5 EGBERN CC(=O)c1cc(N[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000376186428 168877900 /nfs/dbraw/zinc/87/79/00/168877900.db2.gz HHZFBPUWWBGSIQ-MRXNPFEDSA-N 0 0 339.351 3.015 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCN(c3ccc(F)c(F)c3)CC2)s1 ZINC000376459622 168908979 /nfs/dbraw/zinc/90/89/79/168908979.db2.gz GKZLWXIKIIUEGG-UHFFFAOYSA-N 0 0 340.355 3.046 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000161768017 206369169 /nfs/dbraw/zinc/36/91/69/206369169.db2.gz RVARGIZURUDFIU-NSHDSACASA-N 0 0 338.410 3.240 10 5 EGBERN CCS[C@H]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301878120 206486847 /nfs/dbraw/zinc/48/68/47/206486847.db2.gz JFQJLCJMKBAWLV-MNOVXSKESA-N 0 0 344.458 3.084 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccn2)CC1 ZINC000378263358 169093598 /nfs/dbraw/zinc/09/35/98/169093598.db2.gz YKQZQFHSSVTMBB-RMKNXTFCSA-N 0 0 337.379 3.409 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000378619876 169147771 /nfs/dbraw/zinc/14/77/71/169147771.db2.gz RSODVZADINPUEX-SJCJKPOMSA-N 0 0 336.363 3.151 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000408198925 169164992 /nfs/dbraw/zinc/16/49/92/169164992.db2.gz PDRDLBDGTNBVNF-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000408440962 169177978 /nfs/dbraw/zinc/17/79/78/169177978.db2.gz GCXIOEAXNNJITO-UHFFFAOYSA-N 0 0 344.415 3.395 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000408444937 169178300 /nfs/dbraw/zinc/17/83/00/169178300.db2.gz XXYOQFPUHONKLA-MRXNPFEDSA-N 0 0 332.400 3.325 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1OC ZINC000175449783 207128069 /nfs/dbraw/zinc/12/80/69/207128069.db2.gz BJJBQEKSZIACJA-RYUDHWBXSA-N 0 0 336.388 3.263 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000176956187 207277734 /nfs/dbraw/zinc/27/77/34/207277734.db2.gz VUNQDBFBBYFJQN-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177780649 207396593 /nfs/dbraw/zinc/39/65/93/207396593.db2.gz YTRFBMMAVZLNFD-QGZVFWFLSA-N 0 0 328.368 3.413 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccn1 ZINC000178826998 207539095 /nfs/dbraw/zinc/53/90/95/207539095.db2.gz YIRFJEUIHDZJNZ-CYBMUJFWSA-N 0 0 345.424 3.219 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCc2ccsc23)cn1 ZINC000351884059 285122308 /nfs/dbraw/zinc/12/23/08/285122308.db2.gz DHESAHCDEYOVLO-UHFFFAOYSA-N 0 0 331.397 3.120 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(n3cncn3)CC2)c(C(F)(F)F)c1 ZINC000071899511 285121424 /nfs/dbraw/zinc/12/14/24/285121424.db2.gz HDVSXYWSPMXSQJ-UHFFFAOYSA-N 0 0 341.293 3.047 10 5 EGBERN CO[C@@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000346894157 285586874 /nfs/dbraw/zinc/58/68/74/285586874.db2.gz JUGJGQPDDAEPKK-LBPRGKRZSA-N 0 0 346.261 3.038 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338046682 141080197 /nfs/dbraw/zinc/08/01/97/141080197.db2.gz ZOIPRUBQIHHQES-GFCCVEGCSA-N 0 0 348.428 3.305 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000338143578 141102230 /nfs/dbraw/zinc/10/22/30/141102230.db2.gz OATWNPJDGDZRIP-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000339559496 141130964 /nfs/dbraw/zinc/13/09/64/141130964.db2.gz WFGKAORFYVOIDP-MCFWBGNESA-N 0 0 346.408 3.132 10 5 EGBERN O=[N+]([O-])c1ccc(CNCc2ccnc(OC(F)F)c2)c(F)c1 ZINC000341262355 141146786 /nfs/dbraw/zinc/14/67/86/141146786.db2.gz VWAVIKUBXORYIS-UHFFFAOYSA-N 0 0 327.262 3.020 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347884059 141210030 /nfs/dbraw/zinc/21/00/30/141210030.db2.gz VSOYYTDJOKFUKU-MWLCHTKSSA-N 0 0 345.321 3.440 10 5 EGBERN Cc1ccccc1CS(=O)(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000350803306 141267595 /nfs/dbraw/zinc/26/75/95/141267595.db2.gz QRVBHHVFYCOALW-UHFFFAOYSA-N 0 0 341.335 3.296 10 5 EGBERN O=C(N[C@H](CO)c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000356225837 141322969 /nfs/dbraw/zinc/32/29/69/141322969.db2.gz HITFIDQAYAMHEA-GFCCVEGCSA-N 0 0 348.405 3.334 10 5 EGBERN Cn1cncc1Cc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000357956564 141368035 /nfs/dbraw/zinc/36/80/35/141368035.db2.gz ZEWGGQFPIQHLAK-UHFFFAOYSA-N 0 0 341.371 3.267 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc([N+](=O)[O-])c(F)c2)no1 ZINC000127511901 143953641 /nfs/dbraw/zinc/95/36/41/143953641.db2.gz CEWFEQVNACCVFV-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN Cc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000171613618 144007538 /nfs/dbraw/zinc/00/75/38/144007538.db2.gz OYRAQXCRLSJYKX-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000171644033 144009106 /nfs/dbraw/zinc/00/91/06/144009106.db2.gz LWDMKSNNIOTGMF-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000175371321 144063128 /nfs/dbraw/zinc/06/31/28/144063128.db2.gz DNIZCSCIASLBNA-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1cc(CN[C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000184300601 144090861 /nfs/dbraw/zinc/09/08/61/144090861.db2.gz AGHPGYPNCSZDRH-SNVBAGLBSA-N 0 0 348.330 3.322 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(C)=O)s1 ZINC000185375934 144111942 /nfs/dbraw/zinc/11/19/42/144111942.db2.gz FIUSHNYZZAENLC-GFCCVEGCSA-N 0 0 347.396 3.461 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2nccs2)CC1 ZINC000186955980 144148495 /nfs/dbraw/zinc/14/84/95/144148495.db2.gz QZSKXGXRPUQNQL-UHFFFAOYSA-N 0 0 347.400 3.160 10 5 EGBERN CC(C)c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000192568947 144176909 /nfs/dbraw/zinc/17/69/09/144176909.db2.gz SCTGHJNUCPAMEU-NSHDSACASA-N 0 0 328.372 3.385 10 5 EGBERN CCc1nc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cs1 ZINC000344734877 144217471 /nfs/dbraw/zinc/21/74/71/144217471.db2.gz YHRSTVIOAMAUIN-UHFFFAOYSA-N 0 0 349.412 3.007 10 5 EGBERN COc1cc(Cn2c(=O)oc3cc(Cl)ccc32)ccc1[N+](=O)[O-] ZINC000351837826 144314303 /nfs/dbraw/zinc/31/43/03/144314303.db2.gz IUJMAQHIQPWRGY-UHFFFAOYSA-N 0 0 334.715 3.213 10 5 EGBERN CN(C)c1ccnc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000361634964 144340523 /nfs/dbraw/zinc/34/05/23/144340523.db2.gz FKHXMQYNOGAFLS-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000364005678 144383698 /nfs/dbraw/zinc/38/36/98/144383698.db2.gz CBAACDKIGNQYEG-SFHVURJKSA-N 0 0 326.352 3.104 10 5 EGBERN C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1[N+](=O)[O-] ZINC000341283675 155228313 /nfs/dbraw/zinc/22/83/13/155228313.db2.gz KHEDMNMWEBEHMU-MEDUHNTESA-N 0 0 328.393 3.489 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000341302592 155236710 /nfs/dbraw/zinc/23/67/10/155236710.db2.gz RLLKXPWVKBBALU-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCc1ccc(CN2CCOCC2)cc1 ZINC000341340383 155240754 /nfs/dbraw/zinc/24/07/54/155240754.db2.gz DPAWDZWRFJGEIU-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000117590052 152105152 /nfs/dbraw/zinc/10/51/52/152105152.db2.gz WSCIJWRMMSBVEB-VXJOIVPMSA-N 0 0 334.278 3.376 10 5 EGBERN CCc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000117795670 152116756 /nfs/dbraw/zinc/11/67/56/152116756.db2.gz LBFKQNFPOIFQJU-UHFFFAOYSA-N 0 0 339.804 3.126 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000118251873 152131890 /nfs/dbraw/zinc/13/18/90/152131890.db2.gz CAPWHSOKBQYZMC-UHFFFAOYSA-N 0 0 331.347 3.145 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000118262132 152133539 /nfs/dbraw/zinc/13/35/39/152133539.db2.gz LJYFWGRXPLCDFL-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118873869 152159626 /nfs/dbraw/zinc/15/96/26/152159626.db2.gz MPUABWNVMATJDS-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN Cc1sc(C(=O)Nc2nc(-c3nccn3C)cs2)cc1[N+](=O)[O-] ZINC000119184807 152183618 /nfs/dbraw/zinc/18/36/18/152183618.db2.gz FSYRBNQDKBNVAL-UHFFFAOYSA-N 0 0 349.397 3.074 10 5 EGBERN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000120104709 152251292 /nfs/dbraw/zinc/25/12/92/152251292.db2.gz NCCRFNKLJNTMOU-NSHDSACASA-N 0 0 348.428 3.459 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1OC ZINC000121851663 152373921 /nfs/dbraw/zinc/37/39/21/152373921.db2.gz HRNKIPQWMAZUSS-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCOCC4(CC4)C3)cs2)c1 ZINC000341560553 155356819 /nfs/dbraw/zinc/35/68/19/155356819.db2.gz HHEPFWMNEPEKLF-UHFFFAOYSA-N 0 0 345.424 3.331 10 5 EGBERN Cc1cnc(COC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000191363782 153190246 /nfs/dbraw/zinc/19/02/46/153190246.db2.gz ZSSKGBIDVQGIBM-APPDUMDISA-N 0 0 342.351 3.215 10 5 EGBERN CCN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000191845192 153223024 /nfs/dbraw/zinc/22/30/24/153223024.db2.gz VMBBKZMYVXMDBX-UHFFFAOYSA-N 0 0 349.774 3.130 10 5 EGBERN Cc1csc(=O)n1CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000194107237 153322956 /nfs/dbraw/zinc/32/29/56/153322956.db2.gz VTAIRRBMWMCGIW-UHFFFAOYSA-N 0 0 348.302 3.224 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000194259742 153327477 /nfs/dbraw/zinc/32/74/77/153327477.db2.gz GFPMJIKZNSIQDG-WBMJQRKESA-N 0 0 341.367 3.479 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000194259692 153327507 /nfs/dbraw/zinc/32/75/07/153327507.db2.gz GFPMJIKZNSIQDG-BLLLJJGKSA-N 0 0 341.367 3.479 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000194576306 153346041 /nfs/dbraw/zinc/34/60/41/153346041.db2.gz RUHBYAPVYIPAGN-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN CCOC(=O)c1csc(COc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000336885137 154229313 /nfs/dbraw/zinc/22/93/13/154229313.db2.gz AJTRMNBQOZTACO-UHFFFAOYSA-N 0 0 342.760 3.460 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000340092166 155095829 /nfs/dbraw/zinc/09/58/29/155095829.db2.gz BMMVYBJHCDIWKB-ZDUSSCGKSA-N 0 0 345.399 3.359 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000345476705 156122610 /nfs/dbraw/zinc/12/26/10/156122610.db2.gz CTNRWQSZGPMNCP-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000349106207 156355282 /nfs/dbraw/zinc/35/52/82/156355282.db2.gz JOJRKTZOEKCXET-GFCCVEGCSA-N 0 0 343.383 3.153 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000372584171 157360539 /nfs/dbraw/zinc/36/05/39/157360539.db2.gz GQCJHRXOVJHLKQ-UHFFFAOYSA-N 0 0 344.392 3.100 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089204640 161878290 /nfs/dbraw/zinc/87/82/90/161878290.db2.gz DPZOGXVFPQTVPT-NSHDSACASA-N 0 0 340.339 3.125 10 5 EGBERN Cc1nc(C)c(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000108317159 162076710 /nfs/dbraw/zinc/07/67/10/162076710.db2.gz COZXMWNCDVKBDD-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126325008 162299447 /nfs/dbraw/zinc/29/94/47/162299447.db2.gz RTHMKYGMDVEFNA-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126507955 162305719 /nfs/dbraw/zinc/30/57/19/162305719.db2.gz IQJQGRISWQECBO-QGZVFWFLSA-N 0 0 332.331 3.013 10 5 EGBERN CCCn1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000130733351 162378393 /nfs/dbraw/zinc/37/83/93/162378393.db2.gz KHNFGGKRHNLRMP-UHFFFAOYSA-N 0 0 344.415 3.245 10 5 EGBERN CCc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000354240264 165990502 /nfs/dbraw/zinc/99/05/02/165990502.db2.gz RYUPYQIHTRGLJM-UHFFFAOYSA-N 0 0 329.356 3.258 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000336929254 163089981 /nfs/dbraw/zinc/08/99/81/163089981.db2.gz ZSUOADNTNKYMGN-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000337143240 163143250 /nfs/dbraw/zinc/14/32/50/163143250.db2.gz YFVOOOUXELUPDR-LBPRGKRZSA-N 0 0 329.331 3.067 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CSC1(C)C ZINC000338496448 163245902 /nfs/dbraw/zinc/24/59/02/163245902.db2.gz KFFKRJUENJYPIU-PELKAZGASA-N 0 0 344.820 3.026 10 5 EGBERN COc1ccc2c(c1)OCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000338634263 163298443 /nfs/dbraw/zinc/29/84/43/163298443.db2.gz VFDIHNOJIVGQFS-UHFFFAOYSA-N 0 0 344.367 3.007 10 5 EGBERN O=C(NCc1ccc(F)cc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338856436 163364620 /nfs/dbraw/zinc/36/46/20/163364620.db2.gz YKOTYXJJSOOYIS-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN Cc1c(Br)c(=O)n(C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342427494 163877381 /nfs/dbraw/zinc/87/73/81/163877381.db2.gz AVBLWRQBIZHXBK-RXMQYKEDSA-N 0 0 343.099 3.026 10 5 EGBERN COc1cc(Nc2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000343613079 163994089 /nfs/dbraw/zinc/99/40/89/163994089.db2.gz WVFPHXZAULNRLS-LLVKDONJSA-N 0 0 346.387 3.253 10 5 EGBERN O=C(NCc1ccc(-c2ccccc2)cc1F)c1cc([N+](=O)[O-])n[nH]1 ZINC000343699882 164015431 /nfs/dbraw/zinc/01/54/31/164015431.db2.gz SURWGDYLGAQHOY-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN COc1cc(NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])cc1F ZINC000343781020 164033785 /nfs/dbraw/zinc/03/37/85/164033785.db2.gz ABQITZVASLAOKD-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC=CCC2)cc1OC ZINC000343839071 164048357 /nfs/dbraw/zinc/04/83/57/164048357.db2.gz QFHDCZLMHOKCND-ZDUSSCGKSA-N 0 0 348.399 3.430 10 5 EGBERN Cc1ccc(CSCCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000344285877 164146834 /nfs/dbraw/zinc/14/68/34/164146834.db2.gz BJPXGOUXLIVMPJ-UHFFFAOYSA-N 0 0 345.424 3.270 10 5 EGBERN CSc1ccc(C(=O)NC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000344428661 164176500 /nfs/dbraw/zinc/17/65/00/164176500.db2.gz JAHFKOWGFXFOQB-UHFFFAOYSA-N 0 0 338.429 3.132 10 5 EGBERN Cc1ccc2c(c1)nc(CNc1nc(C)cc(C)c1[N+](=O)[O-])n2C ZINC000346191570 164359435 /nfs/dbraw/zinc/35/94/35/164359435.db2.gz WRNPHGZBZCRVIL-UHFFFAOYSA-N 0 0 325.372 3.414 10 5 EGBERN CCO[C@H](C)c1noc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347050691 164437692 /nfs/dbraw/zinc/43/76/92/164437692.db2.gz UENQARJZBRDFDW-VXGBXAGGSA-N 0 0 334.376 3.268 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000348652676 164793022 /nfs/dbraw/zinc/79/30/22/164793022.db2.gz JSEPMNCKFHRIHV-WDEREUQCSA-N 0 0 345.321 3.102 10 5 EGBERN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000348797202 164818236 /nfs/dbraw/zinc/81/82/36/164818236.db2.gz FVSZMVBUGPYZJV-DOMZBBRYSA-N 0 0 325.368 3.371 10 5 EGBERN CCn1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc2cccnc21 ZINC000349936952 164976999 /nfs/dbraw/zinc/97/69/99/164976999.db2.gz NEOXYXPAVZXCAO-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000351666328 165124066 /nfs/dbraw/zinc/12/40/66/165124066.db2.gz RCFVTMNJVDAHED-INIZCTEOSA-N 0 0 348.786 3.031 10 5 EGBERN CNC(=O)c1cccc(CSCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352019993 165195000 /nfs/dbraw/zinc/19/50/00/165195000.db2.gz FCGHTUODCWDBSI-UHFFFAOYSA-N 0 0 346.408 3.396 10 5 EGBERN COc1cc(CNc2ccc(F)c(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000352034819 165202765 /nfs/dbraw/zinc/20/27/65/165202765.db2.gz ICUPEOXSNURRGB-UHFFFAOYSA-N 0 0 347.346 3.056 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352049596 165209786 /nfs/dbraw/zinc/20/97/86/165209786.db2.gz RLWBUTUDPUHJIP-SMDDNHRTSA-N 0 0 349.412 3.059 10 5 EGBERN CC(C)Cn1ccnc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362803 165363311 /nfs/dbraw/zinc/36/33/11/165363311.db2.gz YDJNNHQRWBUIGV-UHFFFAOYSA-N 0 0 325.372 3.030 10 5 EGBERN O=C(Nc1csc(-c2ccccn2)n1)c1ccccc1[N+](=O)[O-] ZINC000353952710 165929961 /nfs/dbraw/zinc/92/99/61/165929961.db2.gz QIIBJBHJYFFWKV-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN Nc1ccc(-c2noc(-c3ccc4c(n3)CCCC4)n2)cc1[N+](=O)[O-] ZINC000355423227 166194378 /nfs/dbraw/zinc/19/43/78/166194378.db2.gz DQCFWDBXFFSLKU-UHFFFAOYSA-N 0 0 337.339 3.168 10 5 EGBERN CCOc1cc(OCC(=O)[C@H]2Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000355933312 166352060 /nfs/dbraw/zinc/35/20/60/166352060.db2.gz CCVNOCDURDRJTR-HNNXBMFYSA-N 0 0 327.336 3.281 10 5 EGBERN CCOc1cc(OCC(=O)[C@@H]2Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000355933313 166352215 /nfs/dbraw/zinc/35/22/15/166352215.db2.gz CCVNOCDURDRJTR-OAHLLOKOSA-N 0 0 327.336 3.281 10 5 EGBERN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCc2cccnc21 ZINC000356019636 166376542 /nfs/dbraw/zinc/37/65/42/166376542.db2.gz IEVCACULYCKHTP-OAHLLOKOSA-N 0 0 342.399 3.494 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccon4)no3)cs2)cc1 ZINC000357355302 166657347 /nfs/dbraw/zinc/65/73/47/166657347.db2.gz HXWDNBYMLSPTEP-UHFFFAOYSA-N 0 0 341.308 3.423 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CC(=O)N(C)C)c2ccccc2)n1 ZINC000359083254 167062547 /nfs/dbraw/zinc/06/25/47/167062547.db2.gz NRWQQFWMHRARJY-HNNXBMFYSA-N 0 0 342.399 3.238 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359167280 167086848 /nfs/dbraw/zinc/08/68/48/167086848.db2.gz YXQCQQBTFBPZFB-KDOFPFPSSA-N 0 0 332.400 3.402 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(Cl)cccc3n2)n1 ZINC000359235880 167103329 /nfs/dbraw/zinc/10/33/29/167103329.db2.gz YMMLOBSLPBKTQH-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541414 167185988 /nfs/dbraw/zinc/18/59/88/167185988.db2.gz DITJWBLLNKDQRQ-RDTXWAMCSA-N 0 0 331.416 3.070 10 5 EGBERN CCOC(=O)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000360662045 167381524 /nfs/dbraw/zinc/38/15/24/167381524.db2.gz DKIAVZJDNKCDFT-OAHLLOKOSA-N 0 0 343.383 3.132 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000360971247 167468016 /nfs/dbraw/zinc/46/80/16/167468016.db2.gz QZMMFISHLABACG-MFKMUULPSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361841747 167672717 /nfs/dbraw/zinc/67/27/17/167672717.db2.gz GRRQVULUSLVHQR-CHWSQXEVSA-N 0 0 326.418 3.287 10 5 EGBERN CCOc1cccc(N2CCC(c3nccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000364955663 168005210 /nfs/dbraw/zinc/00/52/10/168005210.db2.gz VUNLGYCJCZAFCG-UHFFFAOYSA-N 0 0 342.399 3.476 10 5 EGBERN Cc1nn(C)c(N[C@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000365034853 168014067 /nfs/dbraw/zinc/01/40/67/168014067.db2.gz ACBMTUFQEQRSPN-AWEZNQCLSA-N 0 0 344.419 3.438 10 5 EGBERN CCCc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365974726 168066859 /nfs/dbraw/zinc/06/68/59/168066859.db2.gz XTWRZRASRPVBON-UHFFFAOYSA-N 0 0 342.399 3.221 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000366195866 168093124 /nfs/dbraw/zinc/09/31/24/168093124.db2.gz OCPJODCJXVDDFV-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN CC(=O)c1cc(N2CC(O)(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000367427526 168223352 /nfs/dbraw/zinc/22/33/52/168223352.db2.gz ZXWNTLFKHUDJLV-UHFFFAOYSA-N 0 0 346.770 3.159 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](c2ccsc2)C1 ZINC000367928271 168285300 /nfs/dbraw/zinc/28/53/00/168285300.db2.gz RKGZULUFSNRRNB-MRXNPFEDSA-N 0 0 332.381 3.437 10 5 EGBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000123906785 222349671 /nfs/dbraw/zinc/34/96/71/222349671.db2.gz XFRITOMSTZSIDI-GFCCVEGCSA-N 0 0 334.397 3.480 10 5 EGBERN COc1cccc(C(=O)COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000121097815 264752241 /nfs/dbraw/zinc/75/22/41/264752241.db2.gz PRKKTWVCDSJGPY-UHFFFAOYSA-N 0 0 329.308 3.068 10 5 EGBERN CCOc1cc(C(=O)N[C@H](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000172100855 264941984 /nfs/dbraw/zinc/94/19/84/264941984.db2.gz IVFZYNXTFQFNOM-LLVKDONJSA-N 0 0 336.388 3.311 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000175423951 265114508 /nfs/dbraw/zinc/11/45/08/265114508.db2.gz NBKSAZIJMUERJI-SNVBAGLBSA-N 0 0 347.396 3.270 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000176731406 265198993 /nfs/dbraw/zinc/19/89/93/265198993.db2.gz NLJWTGVSJCUFJD-BTDLBPIBSA-N 0 0 343.358 3.491 10 5 EGBERN CC(C)(C)c1csc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)n1 ZINC000176893244 265212146 /nfs/dbraw/zinc/21/21/46/265212146.db2.gz QIGKERMVAKSTCS-UHFFFAOYSA-N 0 0 344.396 3.107 10 5 EGBERN CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178055775 265293534 /nfs/dbraw/zinc/29/35/34/265293534.db2.gz BQSGIUGMZNIWGM-INIZCTEOSA-N 0 0 341.367 3.109 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000184602862 265469485 /nfs/dbraw/zinc/46/94/85/265469485.db2.gz VOLKDISVGNILRM-CQSZACIVSA-N 0 0 336.432 3.371 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000185284789 265489683 /nfs/dbraw/zinc/48/96/83/265489683.db2.gz KOLHUILVTRPERM-PBHICJAKSA-N 0 0 340.379 3.413 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185553133 265495341 /nfs/dbraw/zinc/49/53/41/265495341.db2.gz CSXPPAPSBKOYBC-CYBMUJFWSA-N 0 0 343.383 3.303 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000186782583 265553549 /nfs/dbraw/zinc/55/35/49/265553549.db2.gz VCGCTSSHENQMIS-VIFPVBQESA-N 0 0 347.293 3.410 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)cs2)n1 ZINC000191456854 265905085 /nfs/dbraw/zinc/90/50/85/265905085.db2.gz FMKOYCARGBNULM-UHFFFAOYSA-N 0 0 349.397 3.249 10 5 EGBERN CCc1ccc(CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000191500898 265909735 /nfs/dbraw/zinc/90/97/35/265909735.db2.gz LGIJOLMQGBMWCD-UHFFFAOYSA-N 0 0 342.399 3.178 10 5 EGBERN Cc1ccc(CNc2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000193328170 266023892 /nfs/dbraw/zinc/02/38/92/266023892.db2.gz OSHRIWFRCBSFNA-UHFFFAOYSA-N 0 0 327.369 3.429 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000269976945 266395090 /nfs/dbraw/zinc/39/50/90/266395090.db2.gz NBBIUGAOSPRVOU-UHFFFAOYSA-N 0 0 345.380 3.421 10 5 EGBERN CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])c(C)c2)c1C(F)F ZINC000271346021 266645550 /nfs/dbraw/zinc/64/55/50/266645550.db2.gz SDCVMIGUSJCBCW-UHFFFAOYSA-N 0 0 325.271 3.203 10 5 EGBERN CC[C@H](NC(=O)NCC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271950999 266745250 /nfs/dbraw/zinc/74/52/50/266745250.db2.gz XVSUDEVVRVLPAI-HOTGVXAUSA-N 0 0 349.431 3.142 10 5 EGBERN CC(C)C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271976527 266750188 /nfs/dbraw/zinc/75/01/88/266750188.db2.gz LDXFIUYVMPODKI-OCCSQVGLSA-N 0 0 345.399 3.400 10 5 EGBERN COC(=O)c1cc(NC[C@@H](C)c2nccs2)cc(C)c1[N+](=O)[O-] ZINC000273313586 267018198 /nfs/dbraw/zinc/01/81/98/267018198.db2.gz NYVKEANYCFRQGG-SNVBAGLBSA-N 0 0 335.385 3.362 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nccs1 ZINC000273340074 267023535 /nfs/dbraw/zinc/02/35/35/267023535.db2.gz VQMRTXKSCIADOO-QXMHVHEDSA-N 0 0 331.397 3.204 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000273567334 267059387 /nfs/dbraw/zinc/05/93/87/267059387.db2.gz IIWKLAFHXGQLRG-KGLIPLIRSA-N 0 0 346.383 3.210 10 5 EGBERN Cc1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(C)s1 ZINC000273813545 267115886 /nfs/dbraw/zinc/11/58/86/267115886.db2.gz IPXZISSDKWEREX-UHFFFAOYSA-N 0 0 345.384 3.373 10 5 EGBERN CCOc1cccc(N2CCC[C@@H](Cc3noc(C)n3)C2)c1[N+](=O)[O-] ZINC000273908291 267140714 /nfs/dbraw/zinc/14/07/14/267140714.db2.gz XHENAKNTKSTCAU-ZDUSSCGKSA-N 0 0 346.387 3.144 10 5 EGBERN C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1[N+](=O)[O-] ZINC000274645137 267267721 /nfs/dbraw/zinc/26/77/21/267267721.db2.gz RVPFDUYGBRPPMJ-LLVKDONJSA-N 0 0 347.371 3.389 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000274773161 267284923 /nfs/dbraw/zinc/28/49/23/267284923.db2.gz DFMDOCHPORZNCR-DZGCQCFKSA-N 0 0 335.404 3.164 10 5 EGBERN COc1cc(NCc2ccc([C@H](C)O)c(C)n2)c([N+](=O)[O-])cc1F ZINC000275434525 267361251 /nfs/dbraw/zinc/36/12/51/267361251.db2.gz JGKHHYSNFQHEBB-JTQLQIEISA-N 0 0 335.335 3.111 10 5 EGBERN C[C@H](C[C@@H](O)c1cccs1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278160829 267953561 /nfs/dbraw/zinc/95/35/61/267953561.db2.gz AIMWIPHTYDYXJQ-NOZJJQNGSA-N 0 0 332.385 3.457 10 5 EGBERN CCOc1cc(C(=O)NCCC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000044705890 275132278 /nfs/dbraw/zinc/13/22/78/275132278.db2.gz BFCQSNMSFXYTFP-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000047609740 275142698 /nfs/dbraw/zinc/14/26/98/275142698.db2.gz DMCVDGCDMCGSSL-CQSZACIVSA-N 0 0 342.351 3.004 10 5 EGBERN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897210 275152000 /nfs/dbraw/zinc/15/20/00/275152000.db2.gz ZKAADDICEQAJHL-MNOVXSKESA-N 0 0 325.796 3.307 10 5 EGBERN COC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000109617453 275178897 /nfs/dbraw/zinc/17/88/97/275178897.db2.gz FWXNRMKRJBTDEN-UHFFFAOYSA-N 0 0 343.270 3.238 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000183173896 275210629 /nfs/dbraw/zinc/21/06/29/275210629.db2.gz NVUWUJIBTPWZCB-XHDPSFHLSA-N 0 0 342.399 3.242 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194836351 275227594 /nfs/dbraw/zinc/22/75/94/275227594.db2.gz MHENJRZKVBTPMI-BXUZGUMPSA-N 0 0 343.383 3.317 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194879180 275228988 /nfs/dbraw/zinc/22/89/88/275228988.db2.gz HLCCLWVKDBAOHU-ZWNOBZJWSA-N 0 0 329.356 3.063 10 5 EGBERN C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000271919635 275241481 /nfs/dbraw/zinc/24/14/81/275241481.db2.gz DJCPPTQBZATAAU-ABAIWWIYSA-N 0 0 329.356 3.264 10 5 EGBERN CCC[C@@]12CCCN1C(=O)N([C@@H](C)c1ccccc1[N+](=O)[O-])C2=O ZINC000279863839 275367209 /nfs/dbraw/zinc/36/72/09/275367209.db2.gz BWTNOOBTZYCWKN-SJCJKPOMSA-N 0 0 331.372 3.253 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000280910152 275505799 /nfs/dbraw/zinc/50/57/99/275505799.db2.gz AGIAJPJWEXQUPB-ZPUIDXCVSA-N 0 0 344.415 3.237 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC3CCN(c4nccs4)CC3)nc2c1 ZINC000281753073 275573381 /nfs/dbraw/zinc/57/33/81/275573381.db2.gz FDFMKIQOKADKMA-UHFFFAOYSA-N 0 0 344.400 3.009 10 5 EGBERN CCCc1occc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000282132478 275604992 /nfs/dbraw/zinc/60/49/92/275604992.db2.gz GIAIZVXWBQCFAS-UHFFFAOYSA-N 0 0 346.339 3.488 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000360886276 276040834 /nfs/dbraw/zinc/04/08/34/276040834.db2.gz XJZNCJYYMSQXRK-IUCAKERBSA-N 0 0 348.325 3.244 10 5 EGBERN CCOc1ccc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000286915595 276057409 /nfs/dbraw/zinc/05/74/09/276057409.db2.gz KKXGGCQKLQHWFR-UHFFFAOYSA-N 0 0 332.312 3.276 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000287487324 276124235 /nfs/dbraw/zinc/12/42/35/276124235.db2.gz TZBITAWXJNQLJJ-UHFFFAOYSA-N 0 0 341.367 3.038 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C2CC2)C1 ZINC000288152052 276186725 /nfs/dbraw/zinc/18/67/25/276186725.db2.gz GUAOLRHEPFWBDC-CYBMUJFWSA-N 0 0 331.372 3.178 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3cccc(Cl)c3C2)c1[N+](=O)[O-] ZINC000288565179 276228649 /nfs/dbraw/zinc/22/86/49/276228649.db2.gz QKGKRMJHYVBGEM-UHFFFAOYSA-N 0 0 347.758 3.258 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@]3(CO)C[C@@H]3c3ccccc3)nc2c1 ZINC000290543355 276509407 /nfs/dbraw/zinc/50/94/07/276509407.db2.gz ARZKDGQJGXZYNN-KDOFPFPSSA-N 0 0 338.367 3.049 10 5 EGBERN CC(C)(CCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000290955113 276565498 /nfs/dbraw/zinc/56/54/98/276565498.db2.gz MOTYPFKEWLBHOP-UHFFFAOYSA-N 0 0 329.278 3.342 10 5 EGBERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291727398 276682654 /nfs/dbraw/zinc/68/26/54/276682654.db2.gz MFWNHAOAXWYOLY-RKDXNWHRSA-N 0 0 346.214 3.066 10 5 EGBERN C[C@]12CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000291896157 276705071 /nfs/dbraw/zinc/70/50/71/276705071.db2.gz JVEKDIXDCLXJIX-PELKAZGASA-N 0 0 326.328 3.081 10 5 EGBERN COc1cc2c(cc1OC)CN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000359085597 277394297 /nfs/dbraw/zinc/39/42/97/277394297.db2.gz TXUZQWAMMYLHSS-UHFFFAOYSA-N 0 0 343.383 3.187 10 5 EGBERN COc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1Cl ZINC000340965884 278087530 /nfs/dbraw/zinc/08/75/30/278087530.db2.gz CFYVHSHHOJBFDG-SECBINFHSA-N 0 0 347.758 3.243 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(ncn3-c3ccccc3)C2)n1 ZINC000359095839 278665585 /nfs/dbraw/zinc/66/55/85/278665585.db2.gz KECROCRMBNGPEE-UHFFFAOYSA-N 0 0 349.394 3.355 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000189941473 278938046 /nfs/dbraw/zinc/93/80/46/278938046.db2.gz LMFQQOJRKSXOBT-AWEZNQCLSA-N 0 0 348.305 3.435 10 5 EGBERN C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000362489726 280098185 /nfs/dbraw/zinc/09/81/85/280098185.db2.gz XDUZKBUOSSSHQK-DZGCQCFKSA-N 0 0 337.383 3.095 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1N1CCC(c2nnc3n2CCC3)CC1 ZINC000366569477 280372359 /nfs/dbraw/zinc/37/23/59/280372359.db2.gz OBZJKRJDOILMNI-UHFFFAOYSA-N 0 0 347.806 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000123296132 280658370 /nfs/dbraw/zinc/65/83/70/280658370.db2.gz OQDZBDCLOHMKIG-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN CC[C@H]1CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000347605491 281101009 /nfs/dbraw/zinc/10/10/09/281101009.db2.gz AKNRZXPYKAVYHH-ZFWWWQNUSA-N 0 0 331.416 3.456 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000110313997 288393525 /nfs/dbraw/zinc/39/35/25/288393525.db2.gz CMYOOCJLDFZCQT-DYVFJYSZSA-N 0 0 326.352 3.197 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361041935 288677422 /nfs/dbraw/zinc/67/74/22/288677422.db2.gz HJMJUXYUJQNSRI-CABCVRRESA-N 0 0 330.388 3.309 10 5 EGBERN Nc1nccc([C@H]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000193535586 295372089 /nfs/dbraw/zinc/37/20/89/295372089.db2.gz CMRBRHUYVBQLOW-JTQLQIEISA-N 0 0 333.779 3.004 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2CCN(c3ccc(F)cc3)C2)nc2sccn21 ZINC000413603613 309039271 /nfs/dbraw/zinc/03/92/71/309039271.db2.gz LCWRAIHSYRNBDY-NSHDSACASA-N 0 0 347.375 3.134 10 5 EGBERN Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000066001321 307360993 /nfs/dbraw/zinc/36/09/93/307360993.db2.gz SSHPKLPJNSCNRG-UHFFFAOYSA-N 0 0 326.399 3.098 10 5 EGBERN CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1csc([N+](=O)[O-])c1 ZINC000066836411 307363253 /nfs/dbraw/zinc/36/32/53/307363253.db2.gz YGJOMYMOGCXLGT-UHFFFAOYSA-N 0 0 341.339 3.005 10 5 EGBERN CCOc1c(F)cccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000074239352 307391805 /nfs/dbraw/zinc/39/18/05/307391805.db2.gz HOANGGJEOWFXHV-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN Cc1nc(C2(NCc3c(Cl)cccc3[N+](=O)[O-])CCCC2)no1 ZINC000119247332 307492874 /nfs/dbraw/zinc/49/28/74/307492874.db2.gz HRXRPWLWNLYKPM-UHFFFAOYSA-N 0 0 336.779 3.499 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414027694 309056907 /nfs/dbraw/zinc/05/69/07/309056907.db2.gz DCPRJJOXEOZKFQ-TZMCWYRMSA-N 0 0 334.416 3.173 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1cscn1 ZINC000128177249 307596017 /nfs/dbraw/zinc/59/60/17/307596017.db2.gz SBOVAUQALFCGFC-JTQLQIEISA-N 0 0 349.437 3.262 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000136543441 307712557 /nfs/dbraw/zinc/71/25/57/307712557.db2.gz QJQLGXXANWKHFA-LBPRGKRZSA-N 0 0 338.367 3.281 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000152022982 307744069 /nfs/dbraw/zinc/74/40/69/307744069.db2.gz KKTHGKFXNOTKTO-SNVBAGLBSA-N 0 0 347.371 3.132 10 5 EGBERN Cc1cc(C)c(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000152533228 307754724 /nfs/dbraw/zinc/75/47/24/307754724.db2.gz OIFKFNSVPVXCGF-UHFFFAOYSA-N 0 0 348.424 3.140 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000160324268 307887933 /nfs/dbraw/zinc/88/79/33/307887933.db2.gz ZGCCYSWEJKLOQJ-RYUDHWBXSA-N 0 0 331.397 3.348 10 5 EGBERN CCNc1ccc(C(=O)N(CC)CCc2nccs2)cc1[N+](=O)[O-] ZINC000162362986 307912097 /nfs/dbraw/zinc/91/20/97/307912097.db2.gz HOTZJHQFVQPLJM-UHFFFAOYSA-N 0 0 348.428 3.188 10 5 EGBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163154355 307919937 /nfs/dbraw/zinc/91/99/37/307919937.db2.gz DTLXABRCNWAHQC-HIFRSBDPSA-N 0 0 349.387 3.147 10 5 EGBERN CCOC(=O)c1cc(N(C)CCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000165970494 307930247 /nfs/dbraw/zinc/93/02/47/307930247.db2.gz NKUUZYZCWHBRNM-UHFFFAOYSA-N 0 0 349.412 3.215 10 5 EGBERN CCOc1ccc(C(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000255517615 308052555 /nfs/dbraw/zinc/05/25/55/308052555.db2.gz ODTOMGXPLACZFC-TWGQIWQCSA-N 0 0 326.352 3.437 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN[C@H](c1nccs1)C(F)(F)F ZINC000293058860 308095119 /nfs/dbraw/zinc/09/51/19/308095119.db2.gz UPPIHWAICOGBKV-LLVKDONJSA-N 0 0 347.318 3.323 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293138975 308103032 /nfs/dbraw/zinc/10/30/32/308103032.db2.gz SGZMPFIARWVKMM-UKRRQHHQSA-N 0 0 340.807 3.412 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000293957309 308177584 /nfs/dbraw/zinc/17/75/84/308177584.db2.gz FZIAQQFRVFXLTI-KBPBESRZSA-N 0 0 331.416 3.312 10 5 EGBERN COc1ccccc1C[C@@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294638265 308240624 /nfs/dbraw/zinc/24/06/24/308240624.db2.gz GOLCTJZKYONKOA-HNNXBMFYSA-N 0 0 334.416 3.064 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294786444 308256742 /nfs/dbraw/zinc/25/67/42/308256742.db2.gz AOTRBPOKHBFEOM-NWDGAFQWSA-N 0 0 328.372 3.246 10 5 EGBERN CC[C@H](NC(=O)c1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000295135323 308295504 /nfs/dbraw/zinc/29/55/04/308295504.db2.gz IMMVNFIHCOVPQC-HNNXBMFYSA-N 0 0 326.356 3.143 10 5 EGBERN CCc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000295425123 308325412 /nfs/dbraw/zinc/32/54/12/308325412.db2.gz FFYASAPOLGKSLF-LLVKDONJSA-N 0 0 333.417 3.096 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NCCCC(C)(F)F)cc1SC ZINC000295491221 308332497 /nfs/dbraw/zinc/33/24/97/308332497.db2.gz JKJZTDCJWXWIKL-UHFFFAOYSA-N 0 0 348.371 3.491 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000295703952 308352278 /nfs/dbraw/zinc/35/22/78/308352278.db2.gz BXQCLRRCAVOGQE-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296140869 308397840 /nfs/dbraw/zinc/39/78/40/308397840.db2.gz PMSGEDRQPWHGJU-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1cccnc1-n1ccnc1 ZINC000301067058 308686966 /nfs/dbraw/zinc/68/69/66/308686966.db2.gz FFOXTSQYVCKNOX-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN C[C@H](CC(C)(C)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301132236 308689437 /nfs/dbraw/zinc/68/94/37/308689437.db2.gz WEWABTVNFGAKAQ-GFCCVEGCSA-N 0 0 342.399 3.257 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000301541435 308704345 /nfs/dbraw/zinc/70/43/45/308704345.db2.gz KAPJGFGNLCIIQP-WXQIDZRNSA-N 0 0 340.445 3.233 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3cccs3)C2)c1 ZINC000301632582 308708233 /nfs/dbraw/zinc/70/82/33/308708233.db2.gz CZWLFHHLJQYARP-ZDUSSCGKSA-N 0 0 338.360 3.382 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000301754334 308713974 /nfs/dbraw/zinc/71/39/74/308713974.db2.gz CLOCDJPAUFPLQS-BIYBCCJYSA-N 0 0 334.372 3.151 10 5 EGBERN C[C@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301784317 308715203 /nfs/dbraw/zinc/71/52/03/308715203.db2.gz KHSLZQMVGNNKOY-RYUDHWBXSA-N 0 0 326.418 3.237 10 5 EGBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301789689 308715407 /nfs/dbraw/zinc/71/54/07/308715407.db2.gz QUIYLQNBWDBLAQ-ZFWWWQNUSA-N 0 0 347.415 3.200 10 5 EGBERN COc1cc(NCCC[C@@H]2CCCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000301946317 308722776 /nfs/dbraw/zinc/72/27/76/308722776.db2.gz ZZMHWSPTZYDTSI-NHYWBVRUSA-N 0 0 326.368 3.486 10 5 EGBERN C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026374 308725781 /nfs/dbraw/zinc/72/57/81/308725781.db2.gz IEMTXMKAVRDUPC-PIGZYNQJSA-N 0 0 334.347 3.150 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000302162965 308731542 /nfs/dbraw/zinc/73/15/42/308731542.db2.gz QGAHBOOPWQOACL-ZDUSSCGKSA-N 0 0 335.335 3.134 10 5 EGBERN CCOc1cccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c1[N+](=O)[O-] ZINC000302222949 308734084 /nfs/dbraw/zinc/73/40/84/308734084.db2.gz NFKMSIYIICALMM-GFCCVEGCSA-N 0 0 345.403 3.135 10 5 EGBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000302556962 308739507 /nfs/dbraw/zinc/73/95/07/308739507.db2.gz LTTUIPGXKGZLGT-SNVBAGLBSA-N 0 0 332.326 3.065 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000302656383 308741242 /nfs/dbraw/zinc/74/12/42/308741242.db2.gz ADXXSHWXYXDHLQ-AWEZNQCLSA-N 0 0 327.340 3.266 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000302786754 308745683 /nfs/dbraw/zinc/74/56/83/308745683.db2.gz WHQHBPNCJOKTDR-DFBGVHRSSA-N 0 0 326.780 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000311419332 308764216 /nfs/dbraw/zinc/76/42/16/308764216.db2.gz NLXGVQUQZHKDFE-ZJUUUORDSA-N 0 0 329.194 3.320 10 5 EGBERN COc1cc(CN2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000351978441 308885054 /nfs/dbraw/zinc/88/50/54/308885054.db2.gz SXFXQLNRAVNCAX-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3CC2(C(F)(F)F)C3)c1 ZINC000411122615 308927719 /nfs/dbraw/zinc/92/77/19/308927719.db2.gz PFSMOGSUISQVCV-UHFFFAOYSA-N 0 0 346.330 3.484 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000412952143 309009671 /nfs/dbraw/zinc/00/96/71/309009671.db2.gz XFAXZDHVWBPIFE-HNNXBMFYSA-N 0 0 343.358 3.051 10 5 EGBERN O=[N+]([O-])c1cnc(NCCCc2ccccn2)c(C(F)(F)F)c1 ZINC000413212045 309021691 /nfs/dbraw/zinc/02/16/91/309021691.db2.gz XXSCTCUFQVAHAU-UHFFFAOYSA-N 0 0 326.278 3.448 10 5 EGBERN C[C@H]1C[C@H]1N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000415889756 309146254 /nfs/dbraw/zinc/14/62/54/309146254.db2.gz JEIIRVLROMRWBD-SMDDNHRTSA-N 0 0 340.335 3.379 10 5 EGBERN CO[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000416056781 309156575 /nfs/dbraw/zinc/15/65/75/309156575.db2.gz IEIZMLKADCOERT-LBPRGKRZSA-N 0 0 328.796 3.348 10 5 EGBERN CO[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)CC(C)C ZINC000416062962 309156915 /nfs/dbraw/zinc/15/69/15/309156915.db2.gz PDJVTGKZNYMETO-JTQLQIEISA-N 0 0 348.321 3.405 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000416263065 309166534 /nfs/dbraw/zinc/16/65/34/309166534.db2.gz XRSUUSILECOCBD-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(S(=O)(=O)N(CC2CC2)C2CCC2)c(C)cc1[N+](=O)[O-] ZINC000416516767 309172699 /nfs/dbraw/zinc/17/26/99/309172699.db2.gz AFHMEJQNRYYGNL-UHFFFAOYSA-N 0 0 338.429 3.165 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416557560 309173600 /nfs/dbraw/zinc/17/36/00/309173600.db2.gz HCFDXZXQSWWRDV-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000416622354 309175318 /nfs/dbraw/zinc/17/53/18/309175318.db2.gz KAYRHGCOSFFTFQ-UHFFFAOYSA-N 0 0 326.418 3.102 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000416633069 309175551 /nfs/dbraw/zinc/17/55/51/309175551.db2.gz LXWAQAFMSPSNPF-UHFFFAOYSA-N 0 0 326.418 3.102 10 5 EGBERN Cn1cc(Cl)c(CSCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000421217420 309316533 /nfs/dbraw/zinc/31/65/33/309316533.db2.gz JVCPNWAIKQANMO-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421422978 309323994 /nfs/dbraw/zinc/32/39/94/309323994.db2.gz PFFUFTCEVSBEQB-MJBXVCDLSA-N 0 0 340.383 3.464 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421479774 309326510 /nfs/dbraw/zinc/32/65/10/309326510.db2.gz YWKYWHGCRXJTKZ-XQQFMLRXSA-N 0 0 326.356 3.155 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccc(F)cc1 ZINC000421514976 309327991 /nfs/dbraw/zinc/32/79/91/309327991.db2.gz WDNAKPZXURIBJR-MRXNPFEDSA-N 0 0 346.358 3.468 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000421571167 309330152 /nfs/dbraw/zinc/33/01/52/309330152.db2.gz VCFIKUOKJHDBQX-WMLDXEAASA-N 0 0 334.416 3.393 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000421676792 309334224 /nfs/dbraw/zinc/33/42/24/309334224.db2.gz RCMXZRBMYDPLBM-ONGXEEELSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000421794692 309340430 /nfs/dbraw/zinc/34/04/30/309340430.db2.gz CZGGUHNPNWKQGT-ZBFHGGJFSA-N 0 0 334.416 3.081 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]12CCOC2 ZINC000422075955 309354162 /nfs/dbraw/zinc/35/41/62/309354162.db2.gz SNTNRRFKRZKPNB-INIZCTEOSA-N 0 0 336.413 3.100 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425151101 309467761 /nfs/dbraw/zinc/46/77/61/309467761.db2.gz FZDUKNJOXGBAJU-DOFRTFSJSA-N 0 0 339.189 3.194 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425479199 309482155 /nfs/dbraw/zinc/48/21/55/309482155.db2.gz QNKJHYMTBGPCIS-WMZOPIPTSA-N 0 0 343.358 3.074 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2F)C(C)C)n1 ZINC000427179929 309524045 /nfs/dbraw/zinc/52/40/45/309524045.db2.gz WOQCSHRKPDIHLL-UHFFFAOYSA-N 0 0 334.351 3.001 10 5 EGBERN CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cnn1CCC(C)C ZINC000427221335 309525318 /nfs/dbraw/zinc/52/53/18/309525318.db2.gz ZAZOOIXPOWEGED-UHFFFAOYSA-N 0 0 345.403 3.356 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nccn1CC(C)C ZINC000429203235 309573754 /nfs/dbraw/zinc/57/37/54/309573754.db2.gz MUVXSMDJCZXFKN-UHFFFAOYSA-N 0 0 346.387 3.154 10 5 EGBERN Cc1nccc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000429790561 309590174 /nfs/dbraw/zinc/59/01/74/309590174.db2.gz GHUAHVHSAJMKAJ-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN Cc1c(NC(=O)c2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431178642 309627402 /nfs/dbraw/zinc/62/74/02/309627402.db2.gz KEEZHEQTRYVDJK-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000431466510 309633649 /nfs/dbraw/zinc/63/36/49/309633649.db2.gz VINRAXRCIBUZQQ-KKXDTOCCSA-N 0 0 339.395 3.173 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC000432432909 309661063 /nfs/dbraw/zinc/66/10/63/309661063.db2.gz UHRRSUTYMRWKCI-FZMZJTMJSA-N 0 0 338.429 3.252 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000433273104 309684334 /nfs/dbraw/zinc/68/43/34/309684334.db2.gz YUFKYKGYQSREQG-WBMJQRKESA-N 0 0 345.399 3.137 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000435628461 309736805 /nfs/dbraw/zinc/73/68/05/309736805.db2.gz PVSVIHCFMXEPHG-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN COc1cccc(C(=O)N(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000435974642 309744146 /nfs/dbraw/zinc/74/41/46/309744146.db2.gz HQNHHKLSNFHGTI-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@H](C)[C@@H]1C ZINC000438404394 309813634 /nfs/dbraw/zinc/81/36/34/309813634.db2.gz SHADDHVLCVDKSE-XQHKEYJVSA-N 0 0 338.429 3.100 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000438843377 309821022 /nfs/dbraw/zinc/82/10/22/309821022.db2.gz VONPGASFOQNZSZ-BPUTZDHNSA-N 0 0 347.415 3.114 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000438954594 309823042 /nfs/dbraw/zinc/82/30/42/309823042.db2.gz RPZRUIGOHWJZMU-DGCLKSJQSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccncc1 ZINC000439163243 309827775 /nfs/dbraw/zinc/82/77/75/309827775.db2.gz FLIZFXXMMIVDDD-LLVKDONJSA-N 0 0 333.775 3.313 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)C(F)(F)F ZINC000439866984 309841286 /nfs/dbraw/zinc/84/12/86/309841286.db2.gz PFWQCLRVCICFRA-NSHDSACASA-N 0 0 335.282 3.456 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440155652 309845699 /nfs/dbraw/zinc/84/56/99/309845699.db2.gz NMVCAHFFBQNRKN-KRWDZBQOSA-N 0 0 334.372 3.258 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCOc1cccnc1 ZINC000443883329 309909011 /nfs/dbraw/zinc/90/90/11/309909011.db2.gz YKXBQCUAPCCYAM-ZDUSSCGKSA-N 0 0 341.367 3.127 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000443995730 309911508 /nfs/dbraw/zinc/91/15/08/309911508.db2.gz HUOBXLCRIBIDCS-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000446493358 309962873 /nfs/dbraw/zinc/96/28/73/309962873.db2.gz FSGGGGDUHSWLLK-KRWDZBQOSA-N 0 0 333.388 3.328 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000447304238 309976929 /nfs/dbraw/zinc/97/69/29/309976929.db2.gz HZLWTTJKBWZFLE-UHFFFAOYSA-N 0 0 332.259 3.332 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447690353 309985794 /nfs/dbraw/zinc/98/57/94/309985794.db2.gz WZYYUFOZFMILGF-LLVKDONJSA-N 0 0 326.356 3.383 10 5 EGBERN Nc1c(C(=O)NCc2cc(F)c(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000447752731 309987660 /nfs/dbraw/zinc/98/76/60/309987660.db2.gz WZYDJJJCZJFEHU-UHFFFAOYSA-N 0 0 341.701 3.039 10 5 EGBERN C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000448580350 310007179 /nfs/dbraw/zinc/00/71/79/310007179.db2.gz YBPLWSKBFRMQAU-NSHDSACASA-N 0 0 332.381 3.497 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000449680532 310080514 /nfs/dbraw/zinc/08/05/14/310080514.db2.gz CEEXZZIIHUJWIM-INIZCTEOSA-N 0 0 342.342 3.199 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450005509 310098438 /nfs/dbraw/zinc/09/84/38/310098438.db2.gz WFOWJYVSOBUTFQ-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN Cc1csc(CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)n1 ZINC000450299513 310114102 /nfs/dbraw/zinc/11/41/02/310114102.db2.gz BBZUKBGXMPCOLT-UHFFFAOYSA-N 0 0 331.401 3.093 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1nccs1 ZINC000450348818 310117027 /nfs/dbraw/zinc/11/70/27/310117027.db2.gz SIZUAUKFRRNYHR-JTQLQIEISA-N 0 0 341.414 3.018 10 5 EGBERN Cc1c(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cccc1N(C)C ZINC000450421058 310121565 /nfs/dbraw/zinc/12/15/65/310121565.db2.gz DGHNRRFRHGRJDD-UHFFFAOYSA-N 0 0 349.412 3.116 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCCCC1CCOCC1 ZINC000450563910 310130417 /nfs/dbraw/zinc/13/04/17/310130417.db2.gz XONLIKKQMUTOIQ-UHFFFAOYSA-N 0 0 344.209 3.371 10 5 EGBERN COc1cc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000450679065 310136727 /nfs/dbraw/zinc/13/67/27/310136727.db2.gz IXWPNGFETVSCTD-KFNAQCHYSA-N 0 0 338.379 3.262 10 5 EGBERN C[C@H]1[C@@H](O)CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450721998 310139326 /nfs/dbraw/zinc/13/93/26/310139326.db2.gz YXRGDACGAGJHHH-NHYWBVRUSA-N 0 0 331.347 3.146 10 5 EGBERN COC(=O)c1cc(NCCCc2ncccc2C)cc(C)c1[N+](=O)[O-] ZINC000450723007 310139328 /nfs/dbraw/zinc/13/93/28/310139328.db2.gz FWTLFHGTKZWUNN-UHFFFAOYSA-N 0 0 343.383 3.438 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000450738641 310140319 /nfs/dbraw/zinc/14/03/19/310140319.db2.gz OVKXDCJXERZKEE-PXAZEXFGSA-N 0 0 347.415 3.343 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@H](C3CC3)[C@@H]2C2CC2)c(Br)c1 ZINC000450796766 310142981 /nfs/dbraw/zinc/14/29/81/310142981.db2.gz PRAXMTLDZAQUBZ-YPMHNXCESA-N 0 0 338.205 3.377 10 5 EGBERN COC(=O)c1cc(N(C)Cc2cccc(C)n2)cc(C)c1[N+](=O)[O-] ZINC000450931543 310150345 /nfs/dbraw/zinc/15/03/45/310150345.db2.gz PIFOQMAPRUBLFH-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264765 310168640 /nfs/dbraw/zinc/16/86/40/310168640.db2.gz NIYNUWYNHCKJMT-BJZITVGISA-N 0 0 344.386 3.456 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451276455 310169407 /nfs/dbraw/zinc/16/94/07/310169407.db2.gz ZGLUEULCTNIIIF-MAUKXSAKSA-N 0 0 348.349 3.034 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451981000 310206455 /nfs/dbraw/zinc/20/64/55/310206455.db2.gz RWGBYJRDLMOOFO-OAHLLOKOSA-N 0 0 348.380 3.104 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000452092441 310211660 /nfs/dbraw/zinc/21/16/60/310211660.db2.gz DOZRNKWEKWFIOD-UHFFFAOYSA-N 0 0 344.408 3.322 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000452193479 310217924 /nfs/dbraw/zinc/21/79/24/310217924.db2.gz NSBTZPXLMFGGHG-MRXNPFEDSA-N 0 0 329.331 3.245 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C1CC1 ZINC000452486226 310229853 /nfs/dbraw/zinc/22/98/53/310229853.db2.gz JIIRIANLSUNWHP-ZDUSSCGKSA-N 0 0 339.189 3.290 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452577686 310232967 /nfs/dbraw/zinc/23/29/67/310232967.db2.gz XZKOMLAWDPATES-INMHGKMJSA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@]12CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452592420 310233620 /nfs/dbraw/zinc/23/36/20/310233620.db2.gz DNENBWJSQPLAHT-NPSOMJIGSA-N 0 0 344.436 3.358 10 5 EGBERN CCc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000452606862 310234343 /nfs/dbraw/zinc/23/43/43/310234343.db2.gz QWYZYDOXFUQJLQ-UEABVUSTSA-N 0 0 326.396 3.441 10 5 EGBERN Cc1ncccc1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452642117 310235461 /nfs/dbraw/zinc/23/54/61/310235461.db2.gz YTIDWVQRHNCIPK-UHFFFAOYSA-N 0 0 349.774 3.384 10 5 EGBERN CC(C)COCCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452861751 310246164 /nfs/dbraw/zinc/24/61/64/310246164.db2.gz UNRWOPGKMCSIPT-INIZCTEOSA-N 0 0 334.416 3.364 10 5 EGBERN Cc1cc(=O)[nH]c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000452865307 310246391 /nfs/dbraw/zinc/24/63/91/310246391.db2.gz WVJHYCTYOSRXBS-AWEZNQCLSA-N 0 0 341.367 3.024 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCCO3)n2)c2c1NCCC2 ZINC000453228305 310265231 /nfs/dbraw/zinc/26/52/31/310265231.db2.gz BUCPBOHZTTUGGR-ZDUSSCGKSA-N 0 0 330.344 3.245 10 5 EGBERN CO[C@@](C)(c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000453242779 310266338 /nfs/dbraw/zinc/26/63/38/310266338.db2.gz WXDHNIBNJSTLQC-QGZVFWFLSA-N 0 0 344.371 3.275 10 5 EGBERN Cc1c(-c2noc(-c3nn(C)c4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000453249504 310266575 /nfs/dbraw/zinc/26/65/75/310266575.db2.gz GKOXVZKGHPARPM-UHFFFAOYSA-N 0 0 339.355 3.233 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000454200297 310296802 /nfs/dbraw/zinc/29/68/02/310296802.db2.gz OAPWKKUPMNNEEM-IAOVAPTHSA-N 0 0 347.415 3.451 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454204306 310296994 /nfs/dbraw/zinc/29/69/94/310296994.db2.gz RUHHKBIGKPVLSV-UHFFFAOYSA-N 0 0 338.751 3.429 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000454293304 310301749 /nfs/dbraw/zinc/30/17/49/310301749.db2.gz BBYZSCKZIRUGRL-OAGGEKHMSA-N 0 0 333.388 3.142 10 5 EGBERN CCCc1ncc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000455143400 310346887 /nfs/dbraw/zinc/34/68/87/310346887.db2.gz PMZKANINFGXUQL-UHFFFAOYSA-N 0 0 332.360 3.474 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000455487809 310363412 /nfs/dbraw/zinc/36/34/12/310363412.db2.gz QMNYOJVTBMOTPH-TUKIKUTGSA-N 0 0 343.387 3.248 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000455624158 310370050 /nfs/dbraw/zinc/37/00/50/310370050.db2.gz NDESQWKRZKGWTK-ARFHVFGLSA-N 0 0 335.404 3.303 10 5 EGBERN C[C@@]12CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000456089364 310388068 /nfs/dbraw/zinc/38/80/68/310388068.db2.gz VRHKTIAWRSHHCK-VHFNBUCGSA-N 0 0 348.349 3.086 10 5 EGBERN C[C@@]12CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000456109686 310388847 /nfs/dbraw/zinc/38/88/47/310388847.db2.gz VTOLKPSGOZKWJY-CWYPUQQXSA-N 0 0 346.814 3.461 10 5 EGBERN COc1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000456177125 310392168 /nfs/dbraw/zinc/39/21/68/310392168.db2.gz LBRYSAPFGUZZMJ-UHFFFAOYSA-N 0 0 341.367 3.364 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000457037114 310433560 /nfs/dbraw/zinc/43/35/60/310433560.db2.gz LTZXOYREJNYNPG-GFCCVEGCSA-N 0 0 332.356 3.230 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000457051733 310434494 /nfs/dbraw/zinc/43/44/94/310434494.db2.gz WMXWNTCVEDYGHT-ZDUSSCGKSA-N 0 0 347.415 3.058 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000457314278 310447416 /nfs/dbraw/zinc/44/74/16/310447416.db2.gz AYKUQPAZBHQEME-UHFFFAOYSA-N 0 0 328.315 3.314 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@H]1COC)c1cccc([N+](=O)[O-])c1 ZINC000458484532 310506028 /nfs/dbraw/zinc/50/60/28/310506028.db2.gz BUTPSCGAFXVDMA-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000458510219 310507493 /nfs/dbraw/zinc/50/74/93/310507493.db2.gz PHNANXONSSTAOD-HRCADAONSA-N 0 0 347.415 3.303 10 5 EGBERN COCCCOC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459590998 310563092 /nfs/dbraw/zinc/56/30/92/310563092.db2.gz KRTDZPMERJWPED-UHFFFAOYSA-N 0 0 346.383 3.092 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000462609468 310602594 /nfs/dbraw/zinc/60/25/94/310602594.db2.gz BECQGLUFIIEWQW-NUJGCVRESA-N 0 0 346.427 3.191 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463840836 310615753 /nfs/dbraw/zinc/61/57/53/310615753.db2.gz KAMAZOVDKMUIJC-YJYMSZOUSA-N 0 0 339.395 3.081 10 5 EGBERN COc1ccc(OCCNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000467732527 310677368 /nfs/dbraw/zinc/67/73/68/310677368.db2.gz HXOPWTOYFUUNTK-UHFFFAOYSA-N 0 0 336.319 3.242 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000474202305 310787795 /nfs/dbraw/zinc/78/77/95/310787795.db2.gz SVLCFZPBSZPWOQ-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN Cc1cc(N2CCO[C@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000477808169 310849652 /nfs/dbraw/zinc/84/96/52/310849652.db2.gz ZFVVPOCGDYQHNQ-KRWDZBQOSA-N 0 0 328.368 3.187 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000478001309 310853205 /nfs/dbraw/zinc/85/32/05/310853205.db2.gz VBKMNUYOUYRMPR-ZBFHGGJFSA-N 0 0 347.415 3.246 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[C@H](c4ccccc4)C3)nn21 ZINC000487158995 311012893 /nfs/dbraw/zinc/01/28/93/311012893.db2.gz WAMSUQBRDVLDBM-GJZGRUSLSA-N 0 0 337.383 3.198 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487215764 311016355 /nfs/dbraw/zinc/01/63/55/311016355.db2.gz CFNDACQZAXDDCG-CHWSQXEVSA-N 0 0 332.356 3.022 10 5 EGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000487403796 311022268 /nfs/dbraw/zinc/02/22/68/311022268.db2.gz WRLWJVRPOQDUMX-SECBINFHSA-N 0 0 342.380 3.278 10 5 EGBERN CCc1nc(CCNc2c3ccccc3ncc2[N+](=O)[O-])cs1 ZINC000488061231 311049618 /nfs/dbraw/zinc/04/96/18/311049618.db2.gz BPWUAOOPJQASOM-UHFFFAOYSA-N 0 0 328.397 3.238 10 5 EGBERN COC(=O)Cc1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488076344 311050187 /nfs/dbraw/zinc/05/01/87/311050187.db2.gz FCOFHLSQXAHMQR-UHFFFAOYSA-N 0 0 337.335 3.024 10 5 EGBERN CC(C)n1cc(COc2ccc([N+](=O)[O-])cc2Br)nn1 ZINC000488271182 311058967 /nfs/dbraw/zinc/05/89/67/311058967.db2.gz YNBILSGGBRPWBE-UHFFFAOYSA-N 0 0 341.165 3.109 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)ccc2[nH]1 ZINC000488912405 311084490 /nfs/dbraw/zinc/08/44/90/311084490.db2.gz RMBSMIUTTQXCRT-UHFFFAOYSA-N 0 0 343.318 3.051 10 5 EGBERN Cc1sc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc1[N+](=O)[O-] ZINC000488972714 311087288 /nfs/dbraw/zinc/08/72/88/311087288.db2.gz GPVSRBYSWJEVJI-UHFFFAOYSA-N 0 0 338.335 3.441 10 5 EGBERN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1 ZINC000489205542 311095748 /nfs/dbraw/zinc/09/57/48/311095748.db2.gz NBYYHLRLWRMJHC-YUMQZZPRSA-N 0 0 337.405 3.087 10 5 EGBERN CCNc1ccc(C(=O)NCc2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC000490052252 311131689 /nfs/dbraw/zinc/13/16/89/311131689.db2.gz FIUFXMFBSOJBGN-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490623182 311147077 /nfs/dbraw/zinc/14/70/77/311147077.db2.gz FAEMSJSDXGZARP-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000497992782 311872658 /nfs/dbraw/zinc/87/26/58/311872658.db2.gz IGRVNGLGBIFNQT-GOEBONIOSA-N 0 0 348.443 3.128 10 5 EGBERN CC[C@]1(C)CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508529734 312096578 /nfs/dbraw/zinc/09/65/78/312096578.db2.gz ZFWFMDXGKJCUBG-QGZVFWFLSA-N 0 0 329.404 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000510879362 312149973 /nfs/dbraw/zinc/14/99/73/312149973.db2.gz FILSFSVAPOZKSF-CQSZACIVSA-N 0 0 327.384 3.158 10 5 EGBERN COc1ccc(C)cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000511132295 312155419 /nfs/dbraw/zinc/15/54/19/312155419.db2.gz RTYNUDXJEDBIFG-UHFFFAOYSA-N 0 0 328.368 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)c1ccccc1F ZINC000511836885 312169781 /nfs/dbraw/zinc/16/97/81/312169781.db2.gz CFXVJPKHYMZEEL-UHFFFAOYSA-N 0 0 345.374 3.299 10 5 EGBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC(C)C2)cc1 ZINC000513699784 312215709 /nfs/dbraw/zinc/21/57/09/312215709.db2.gz CPGLYQUECJAIRN-UHFFFAOYSA-N 0 0 342.351 3.488 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@H](c3ccccc3)C1)CCCC2 ZINC000515378282 312280107 /nfs/dbraw/zinc/28/01/07/312280107.db2.gz PAIIMZZKMQAANG-SFHVURJKSA-N 0 0 339.395 3.447 10 5 EGBERN COc1cc(COc2ccccc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000517058738 312361582 /nfs/dbraw/zinc/36/15/82/312361582.db2.gz HYJGQXGOCXQPIZ-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2nn(C)c3c2CCCC3)n1 ZINC000517072865 312362455 /nfs/dbraw/zinc/36/24/55/312362455.db2.gz MYBRAXNPBFGVGH-UHFFFAOYSA-N 0 0 339.355 3.233 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000518986216 312435314 /nfs/dbraw/zinc/43/53/14/312435314.db2.gz GKMDZDRRQSMOFB-UHFFFAOYSA-N 0 0 344.346 3.483 10 5 EGBERN COC(=O)c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000522989839 312606921 /nfs/dbraw/zinc/60/69/21/312606921.db2.gz KENDOOYRCFYUSQ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000523524176 312624352 /nfs/dbraw/zinc/62/43/52/312624352.db2.gz KONJTBWFGBGQFQ-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN CNc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000525164374 312700842 /nfs/dbraw/zinc/70/08/42/312700842.db2.gz ALSANXCVMDJKMO-OAHLLOKOSA-N 0 0 347.415 3.200 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000532138146 313759399 /nfs/dbraw/zinc/75/93/99/313759399.db2.gz UXEHYXFGGILGPJ-HNNXBMFYSA-N 0 0 343.358 3.366 10 5 EGBERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397476 313794263 /nfs/dbraw/zinc/79/42/63/313794263.db2.gz UFDGQVTYBORALF-MGPLVRAMSA-N 0 0 329.331 3.182 10 5 EGBERN O=C(NCCCC1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000533209239 313883387 /nfs/dbraw/zinc/88/33/87/313883387.db2.gz DPBPWCAAYFRYGF-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CC(C)Oc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000535944154 314085290 /nfs/dbraw/zinc/08/52/90/314085290.db2.gz WEGQSZODWSBHMU-UHFFFAOYSA-N 0 0 329.356 3.049 10 5 EGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCCC1CCCCC1 ZINC000536006035 314086978 /nfs/dbraw/zinc/08/69/78/314086978.db2.gz XWIXLTJQICSPPZ-UHFFFAOYSA-N 0 0 345.443 3.040 10 5 EGBERN CCc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1C ZINC000538694910 314265681 /nfs/dbraw/zinc/26/56/81/314265681.db2.gz MUNYDBXAVVCMQW-UHFFFAOYSA-N 0 0 342.351 3.489 10 5 EGBERN CCc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1C ZINC000538694730 314265714 /nfs/dbraw/zinc/26/57/14/314265714.db2.gz AJLYWEHWZFJAIF-UHFFFAOYSA-N 0 0 328.324 3.447 10 5 EGBERN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538804076 314276791 /nfs/dbraw/zinc/27/67/91/314276791.db2.gz PMENLCUYQMIEDH-MNOVXSKESA-N 0 0 329.331 3.277 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000544611791 314706500 /nfs/dbraw/zinc/70/65/00/314706500.db2.gz XNRGFIGGFWKVFP-CQSZACIVSA-N 0 0 332.322 3.038 10 5 EGBERN CNc1ccc(-c2nc(-c3cc(C)cc(C)n3)no2)cc1[N+](=O)[O-] ZINC000545747286 314779563 /nfs/dbraw/zinc/77/95/63/314779563.db2.gz PBFUJUNLVSQDKF-UHFFFAOYSA-N 0 0 325.328 3.365 10 5 EGBERN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c2ccccc2n1 ZINC000547154839 314877389 /nfs/dbraw/zinc/87/73/89/314877389.db2.gz NEEFXBJQGILDLO-UHFFFAOYSA-N 0 0 349.306 3.264 10 5 EGBERN Cc1cc(C)nc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000547319609 314887786 /nfs/dbraw/zinc/88/77/86/314887786.db2.gz GEMSYGATFRWXLH-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN NC(=O)C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1 ZINC000549221333 315082176 /nfs/dbraw/zinc/08/21/76/315082176.db2.gz CLIKCTSISLNKLN-INIZCTEOSA-N 0 0 336.351 3.172 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)COc1ccc(Cl)cc1 ZINC000550591754 315130124 /nfs/dbraw/zinc/13/01/24/315130124.db2.gz JYMCPDPQBZDEMU-CYBMUJFWSA-N 0 0 337.759 3.375 10 5 EGBERN Cc1cc(F)cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000554733452 315346242 /nfs/dbraw/zinc/34/62/42/315346242.db2.gz IIUFUMWHBHXPQL-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000555044217 315363284 /nfs/dbraw/zinc/36/32/84/315363284.db2.gz JKBZNMJUDXSOQP-QWHCGFSZSA-N 0 0 329.404 3.356 10 5 EGBERN Cc1ccnc(C)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558445789 315569675 /nfs/dbraw/zinc/56/96/75/315569675.db2.gz SBHMJGLGVGCUGX-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN CCC(C)(C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560216472 315668009 /nfs/dbraw/zinc/66/80/09/315668009.db2.gz CSIVUHIZSZVMHB-UHFFFAOYSA-N 0 0 335.404 3.136 10 5 EGBERN COc1cccc(N2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000561448265 315763294 /nfs/dbraw/zinc/76/32/94/315763294.db2.gz WKQQIOHOODEATO-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000563510693 316031182 /nfs/dbraw/zinc/03/11/82/316031182.db2.gz DFKDQSYFUVJGOS-ZDUSSCGKSA-N 0 0 347.321 3.115 10 5 EGBERN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000563751997 316064044 /nfs/dbraw/zinc/06/40/44/316064044.db2.gz WLRQVJCHXGUXIV-HNNXBMFYSA-N 0 0 334.416 3.457 10 5 EGBERN COC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000564366908 316143758 /nfs/dbraw/zinc/14/37/58/316143758.db2.gz CCEZGTXJJVITAL-LLVKDONJSA-N 0 0 336.388 3.420 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(Cn2cccn2)cc1 ZINC000564498685 316158675 /nfs/dbraw/zinc/15/86/75/316158675.db2.gz QTFZEMJWHQAAMC-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN COc1ncccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000565474862 316329265 /nfs/dbraw/zinc/32/92/65/316329265.db2.gz QGTITCWPWBCKSR-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000565981225 316397018 /nfs/dbraw/zinc/39/70/18/316397018.db2.gz XSUVBRHRSUWSJV-GOEBONIOSA-N 0 0 349.431 3.418 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000566466453 316481622 /nfs/dbraw/zinc/48/16/22/316481622.db2.gz PVBZYWZESBVNNV-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN CC(C)C[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566837900 316533467 /nfs/dbraw/zinc/53/34/67/316533467.db2.gz DOXACTQYCKXCMC-CZUORRHYSA-N 0 0 329.400 3.417 10 5 EGBERN O=C([C@H]1CCCC[C@@H]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567590792 316640020 /nfs/dbraw/zinc/64/00/20/316640020.db2.gz CITKMHFIJDNYJS-CVEARBPZSA-N 0 0 346.431 3.171 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000568344383 316761193 /nfs/dbraw/zinc/76/11/93/316761193.db2.gz DYBRXLSFUYIZFA-UHFFFAOYSA-N 0 0 325.368 3.163 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(C4CCOCC4)CC3)nc2c1 ZINC000571108797 317151900 /nfs/dbraw/zinc/15/19/00/317151900.db2.gz VLULABPMKXHYQS-UHFFFAOYSA-N 0 0 344.415 3.110 10 5 EGBERN Cc1ccc(C)c(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000572760996 317387349 /nfs/dbraw/zinc/38/73/49/317387349.db2.gz MVTYREQVGGSCDU-UHFFFAOYSA-N 0 0 340.379 3.135 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572916283 317409184 /nfs/dbraw/zinc/40/91/84/317409184.db2.gz AZNXMXDPAMRASB-KGLIPLIRSA-N 0 0 342.395 3.494 10 5 EGBERN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000573897799 317539792 /nfs/dbraw/zinc/53/97/92/317539792.db2.gz VDBUQENJPKRLDL-LSDHHAIUSA-N 0 0 325.368 3.446 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000574226455 317574971 /nfs/dbraw/zinc/57/49/71/317574971.db2.gz MOPXYESYQKZGCC-PWSUYJOCSA-N 0 0 331.294 3.183 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000171204673 323225113 /nfs/dbraw/zinc/22/51/13/323225113.db2.gz JVSDAEHVQBVEMU-UHFFFAOYSA-N 0 0 331.347 3.145 10 5 EGBERN COC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000171314740 323229123 /nfs/dbraw/zinc/22/91/23/323229123.db2.gz PEXWWYLMCHETSK-INIZCTEOSA-N 0 0 346.408 3.191 10 5 EGBERN CC(C)c1nnc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)n1C ZINC000194994978 323875604 /nfs/dbraw/zinc/87/56/04/323875604.db2.gz BKOXFWIXQYQQOY-UHFFFAOYSA-N 0 0 341.318 3.060 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350606964 324105895 /nfs/dbraw/zinc/10/58/95/324105895.db2.gz GOSMPGZRBRKLTO-ONGXEEELSA-N 0 0 328.328 3.266 10 5 EGBERN COc1cc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c([N+](=O)[O-])cc1F ZINC000351112457 324172326 /nfs/dbraw/zinc/17/23/26/324172326.db2.gz SLGDPYNFRXICNM-BDAKNGLRSA-N 0 0 337.307 3.075 10 5 EGBERN Cc1ncsc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351162277 324185375 /nfs/dbraw/zinc/18/53/75/324185375.db2.gz QAJDGJMNCKZTMD-UHFFFAOYSA-N 0 0 343.368 3.435 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000383878604 324258180 /nfs/dbraw/zinc/25/81/80/324258180.db2.gz VWQKJDWYIWDWFX-UHFFFAOYSA-N 0 0 327.340 3.214 10 5 EGBERN CCC[C@@H](CC)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576022093 324530569 /nfs/dbraw/zinc/53/05/69/324530569.db2.gz SYFXBZIQZDUDPS-CYBMUJFWSA-N 0 0 332.404 3.497 10 5 EGBERN Cc1cnc(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000576395414 324605914 /nfs/dbraw/zinc/60/59/14/324605914.db2.gz JGOOOHMOMYGLDJ-CHWSQXEVSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000578119509 324921903 /nfs/dbraw/zinc/92/19/03/324921903.db2.gz MHPPBJIYDLKPMW-OAHLLOKOSA-N 0 0 332.400 3.161 10 5 EGBERN CC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000581159684 325336301 /nfs/dbraw/zinc/33/63/01/325336301.db2.gz SMHWXLQVOOYXLJ-ZDUSSCGKSA-N 0 0 329.404 3.407 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000180698397 455229634 /nfs/dbraw/zinc/22/96/34/455229634.db2.gz ATBZNIBMGNNITA-RYUDHWBXSA-N 0 0 338.429 3.345 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2cccs2)CC1 ZINC000180792461 455246501 /nfs/dbraw/zinc/24/65/01/455246501.db2.gz YSJQMHFYNIYAQM-UHFFFAOYSA-N 0 0 329.381 3.168 10 5 EGBERN CC(C)Oc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000158134505 455272916 /nfs/dbraw/zinc/27/29/16/455272916.db2.gz VKASMSCHTSAYRW-UHFFFAOYSA-N 0 0 327.344 3.037 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000190068072 455276451 /nfs/dbraw/zinc/27/64/51/455276451.db2.gz JMTIEYMVGMBTQV-INIZCTEOSA-N 0 0 342.395 3.224 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600670511 460561361 /nfs/dbraw/zinc/56/13/61/460561361.db2.gz YSTGKACAUGAMSV-UHFFFAOYSA-N 0 0 346.408 3.266 10 5 EGBERN CN(C)c1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000510001 452610276 /nfs/dbraw/zinc/61/02/76/452610276.db2.gz WQMLVJZCOYZOHP-UHFFFAOYSA-N 0 0 337.335 3.343 10 5 EGBERN Cc1c(NC(=O)CSCCc2ccccn2)cccc1[N+](=O)[O-] ZINC000004908711 452826064 /nfs/dbraw/zinc/82/60/64/452826064.db2.gz MEIDUVNGIOQZIU-UHFFFAOYSA-N 0 0 331.397 3.213 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000600702964 460574074 /nfs/dbraw/zinc/57/40/74/460574074.db2.gz IOOHRURNUGWINP-UHFFFAOYSA-N 0 0 331.294 3.030 10 5 EGBERN Cc1ccc(OCc2cc(Cl)cc3c2OCOC3)c([N+](=O)[O-])n1 ZINC000006831811 452995940 /nfs/dbraw/zinc/99/59/40/452995940.db2.gz SRZDTUCQAIUGPJ-UHFFFAOYSA-N 0 0 336.731 3.397 10 5 EGBERN O=C(Nc1ccnn1Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000007793710 453116730 /nfs/dbraw/zinc/11/67/30/453116730.db2.gz LMMSIPUOSUPXSP-UHFFFAOYSA-N 0 0 328.353 3.153 10 5 EGBERN Cc1cc(O[C@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000008705820 453223996 /nfs/dbraw/zinc/22/39/96/453223996.db2.gz IFMIAZRTKDSQBH-LLVKDONJSA-N 0 0 325.324 3.280 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCC(=O)c1c[nH]c2ccccc12 ZINC000010845077 453302648 /nfs/dbraw/zinc/30/26/48/453302648.db2.gz TZPPIHHFSHLRBW-UHFFFAOYSA-N 0 0 326.308 3.346 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000600756218 460591148 /nfs/dbraw/zinc/59/11/48/460591148.db2.gz GCCXVLXSYOYBER-KSSFIOAISA-N 0 0 327.384 3.341 10 5 EGBERN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000600777014 460600029 /nfs/dbraw/zinc/60/00/29/460600029.db2.gz SQTRQZKMUMAJFE-CQSZACIVSA-N 0 0 344.342 3.372 10 5 EGBERN CC1CCC(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000014890357 453545804 /nfs/dbraw/zinc/54/58/04/453545804.db2.gz IMEGRFHBDHCZQH-QPJJXVBHSA-N 0 0 332.356 3.032 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000016086482 453593423 /nfs/dbraw/zinc/59/34/23/453593423.db2.gz GRPXFWYEGNBKII-SNVBAGLBSA-N 0 0 340.788 3.288 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600805435 460610823 /nfs/dbraw/zinc/61/08/23/460610823.db2.gz RUONZKQRHBEICT-CYBMUJFWSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000021587761 453678002 /nfs/dbraw/zinc/67/80/02/453678002.db2.gz ORIPXUXVHNCIAL-KRWDZBQOSA-N 0 0 340.379 3.476 10 5 EGBERN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@H]1C(F)(F)F ZINC000190692343 455368229 /nfs/dbraw/zinc/36/82/29/455368229.db2.gz AEAZPSKNBAHYGR-LLVKDONJSA-N 0 0 345.321 3.228 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000029172329 453827088 /nfs/dbraw/zinc/82/70/88/453827088.db2.gz BGGOQAZKQKIQEA-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 ZINC000030468168 453835999 /nfs/dbraw/zinc/83/59/99/453835999.db2.gz NGSVCFBRGYCSAR-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN COc1ccc(OC)c(CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000030894413 453840933 /nfs/dbraw/zinc/84/09/33/453840933.db2.gz PKRCIFOBGNLKFT-UHFFFAOYSA-N 0 0 330.340 3.183 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000052926806 453849325 /nfs/dbraw/zinc/84/93/25/453849325.db2.gz NWVJZOAEDPMQJI-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)Cc1ccc(OC)cc1 ZINC000066805550 453875164 /nfs/dbraw/zinc/87/51/64/453875164.db2.gz HMOMLOBKJLNTKB-GFCCVEGCSA-N 0 0 332.356 3.290 10 5 EGBERN CCN(CC)C(=O)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000053581806 453889260 /nfs/dbraw/zinc/88/92/60/453889260.db2.gz ZSDCEIYIQGIIKH-INIZCTEOSA-N 0 0 328.372 3.011 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067059157 453898237 /nfs/dbraw/zinc/89/82/37/453898237.db2.gz VNJXVLQHKZNZML-WMZOPIPTSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1oc(C(N)=O)cc1-c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000083015908 453933055 /nfs/dbraw/zinc/93/30/55/453933055.db2.gz OZKDRJGWONWLGG-UHFFFAOYSA-N 0 0 329.337 3.386 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054586716 453936565 /nfs/dbraw/zinc/93/65/65/453936565.db2.gz RSWWHCFAHICYNE-UHFFFAOYSA-N 0 0 328.368 3.195 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000067512662 453937229 /nfs/dbraw/zinc/93/72/29/453937229.db2.gz ZTCABXDWRKQURB-HZPDHXFCSA-N 0 0 348.362 3.066 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000067515470 453937878 /nfs/dbraw/zinc/93/78/78/453937878.db2.gz YSSXFAOBYPSEIO-SJLPKXTDSA-N 0 0 348.362 3.066 10 5 EGBERN CCC(CC)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000075924448 453939727 /nfs/dbraw/zinc/93/97/27/453939727.db2.gz LUZXGHSLZYABJR-UHFFFAOYSA-N 0 0 344.433 3.050 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000054951287 453954193 /nfs/dbraw/zinc/95/41/93/453954193.db2.gz SRSNVYJLLIFLQC-SNVBAGLBSA-N 0 0 329.312 3.206 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000055123796 453964640 /nfs/dbraw/zinc/96/46/40/453964640.db2.gz DHIMJRJBQSTDBW-UHFFFAOYSA-N 0 0 340.379 3.249 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc([C@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000067834725 453971192 /nfs/dbraw/zinc/97/11/92/453971192.db2.gz FPWXYABPHPMZHU-LBPRGKRZSA-N 0 0 344.367 3.492 10 5 EGBERN CCOc1ccccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000067844282 453972386 /nfs/dbraw/zinc/97/23/86/453972386.db2.gz NZIDVDSGZQZTLG-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000068224736 454009728 /nfs/dbraw/zinc/00/97/28/454009728.db2.gz IDZBMXSQKVRFOE-LBPRGKRZSA-N 0 0 338.367 3.130 10 5 EGBERN CSc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000055747413 454011387 /nfs/dbraw/zinc/01/13/87/454011387.db2.gz JLKLNMZDJJTSPT-UHFFFAOYSA-N 0 0 332.381 3.012 10 5 EGBERN O=[N+]([O-])c1c(NCc2cn3cc(Cl)ccc3n2)nc2sccn21 ZINC000042677888 454020110 /nfs/dbraw/zinc/02/01/10/454020110.db2.gz IQFGGWMXAUKWTC-UHFFFAOYSA-N 0 0 348.775 3.217 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1[S@@](=O)C[C@@H]1CCCCO1 ZINC000085234517 454020334 /nfs/dbraw/zinc/02/03/34/454020334.db2.gz OUIGRKUGELHIQT-APBUJDDRSA-N 0 0 348.218 3.034 10 5 EGBERN O=[N+]([O-])c1c(Sc2n[nH]c(-c3ccccc3)n2)nc2sccn21 ZINC000042677837 454020454 /nfs/dbraw/zinc/02/04/54/454020454.db2.gz KIZQIIXMPYZWHV-UHFFFAOYSA-N 0 0 344.381 3.240 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OC(C)C ZINC000055957009 454028935 /nfs/dbraw/zinc/02/89/35/454028935.db2.gz VQSAQFJTZWKZLH-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000044258264 454093683 /nfs/dbraw/zinc/09/36/83/454093683.db2.gz UMJQZIJODLYEQJ-HNNXBMFYSA-N 0 0 343.339 3.021 10 5 EGBERN Cc1csc(N2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000057148366 454106187 /nfs/dbraw/zinc/10/61/87/454106187.db2.gz NDEQUWAVIICJGJ-UHFFFAOYSA-N 0 0 336.392 3.216 10 5 EGBERN COc1ccc(-n2cc(CNc3ccc(C)cc3[N+](=O)[O-])nn2)cc1 ZINC000088740330 454117825 /nfs/dbraw/zinc/11/78/25/454117825.db2.gz PKQBMTBXIGBWRX-UHFFFAOYSA-N 0 0 339.355 3.105 10 5 EGBERN CCn1nc(C)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000089483361 454155603 /nfs/dbraw/zinc/15/56/03/454155603.db2.gz LLNLOTDMYKHKRS-UHFFFAOYSA-N 0 0 343.387 3.018 10 5 EGBERN C[C@H](c1cccnc1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070019782 454164665 /nfs/dbraw/zinc/16/46/65/454164665.db2.gz XMUCXIYIVJOVJD-CQSZACIVSA-N 0 0 344.390 3.008 10 5 EGBERN CCOC(=O)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000089657127 454174262 /nfs/dbraw/zinc/17/42/62/454174262.db2.gz FVFNPUCCTJOJDB-SECBINFHSA-N 0 0 332.303 3.340 10 5 EGBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000078004645 454176610 /nfs/dbraw/zinc/17/66/10/454176610.db2.gz HCDNQLLCQCQWRB-JTQLQIEISA-N 0 0 341.414 3.018 10 5 EGBERN Cc1cc(NCC[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058307335 454183372 /nfs/dbraw/zinc/18/33/72/454183372.db2.gz GEFHATWEYJPVMM-HNNXBMFYSA-N 0 0 328.372 3.341 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1C ZINC000059012846 454252283 /nfs/dbraw/zinc/25/22/83/454252283.db2.gz YYXATBDBDIZYEX-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](Cc4ccncc4)C3)c21 ZINC000612450002 460631103 /nfs/dbraw/zinc/63/11/03/460631103.db2.gz CNNGSLZUVAWRNI-AWEZNQCLSA-N 0 0 335.367 3.002 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120220868 454273207 /nfs/dbraw/zinc/27/32/07/454273207.db2.gz LLWXNYHJELGLSD-KDOFPFPSSA-N 0 0 347.415 3.371 10 5 EGBERN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cnc(-c2ccccc2)nc1 ZINC000072274397 454280660 /nfs/dbraw/zinc/28/06/60/454280660.db2.gz WHNMIPXXSASWAG-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN Cc1cnc(N[C@@H](Cc2nccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078670792 454295081 /nfs/dbraw/zinc/29/50/81/454295081.db2.gz ZTXSYZVMKJEWTD-HNNXBMFYSA-N 0 0 337.383 3.428 10 5 EGBERN CCC[C@]1(C)CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000078690804 454299978 /nfs/dbraw/zinc/29/99/78/454299978.db2.gz XHCOFMGCVRQNBJ-QGZVFWFLSA-N 0 0 330.388 3.009 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090688076 454336653 /nfs/dbraw/zinc/33/66/53/454336653.db2.gz MFUSGYJDPHVYHQ-HYVNUMGLSA-N 0 0 347.415 3.256 10 5 EGBERN CC1(C)Cc2cc(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2O1 ZINC000600894123 460632068 /nfs/dbraw/zinc/63/20/68/460632068.db2.gz KWJGLNQLZZRKOD-UHFFFAOYSA-N 0 0 347.392 3.282 10 5 EGBERN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000120886776 454360352 /nfs/dbraw/zinc/36/03/52/454360352.db2.gz VBXDZUHIBNISFA-ZDUSSCGKSA-N 0 0 337.445 3.064 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000133513762 454433772 /nfs/dbraw/zinc/43/37/72/454433772.db2.gz KVWCYODWRULGEB-MRVPVSSYSA-N 0 0 339.193 3.432 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434157 454434835 /nfs/dbraw/zinc/43/48/35/454434835.db2.gz DFTSDGQYFSPPJT-QWRGUYRKSA-N 0 0 346.305 3.211 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc3ccccc32)s1 ZINC000063764403 454446307 /nfs/dbraw/zinc/44/63/07/454446307.db2.gz RYAACNHCZKPEJZ-UHFFFAOYSA-N 0 0 348.405 3.288 10 5 EGBERN Cc1cc(C)c(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000063764558 454446540 /nfs/dbraw/zinc/44/65/40/454446540.db2.gz MOEMAZQNJDZTPQ-UHFFFAOYSA-N 0 0 340.426 3.060 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000074143016 454536635 /nfs/dbraw/zinc/53/66/35/454536635.db2.gz KYCAVPRUPRAPKY-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134408799 454538925 /nfs/dbraw/zinc/53/89/25/454538925.db2.gz OHZAVOGHXOKKHJ-GDBMZVCRSA-N 0 0 348.362 3.066 10 5 EGBERN O=C1CCCN1c1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000122625844 454554007 /nfs/dbraw/zinc/55/40/07/454554007.db2.gz MNWQHZOBEOPHEB-UHFFFAOYSA-N 0 0 346.774 3.382 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cc(=O)[nH]c3ccccc23)c1 ZINC000092657325 454603032 /nfs/dbraw/zinc/60/30/32/454603032.db2.gz MALLYHQHYNCMLJ-UHFFFAOYSA-N 0 0 343.314 3.196 10 5 EGBERN CC(=O)c1ccc(N(C)C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000065614177 454604603 /nfs/dbraw/zinc/60/46/03/454604603.db2.gz QTXHBDOUQNHSHY-KRWDZBQOSA-N 0 0 332.331 3.106 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nnc(C)[nH]1 ZINC000092664580 454605436 /nfs/dbraw/zinc/60/54/36/454605436.db2.gz UPLKVYBSCZGLPN-VIFPVBQESA-N 0 0 327.291 3.186 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ccc(NC(C)=O)cc2)c1 ZINC000080612095 454606928 /nfs/dbraw/zinc/60/69/28/454606928.db2.gz YVJFLGBUNXZKSM-UHFFFAOYSA-N 0 0 347.346 3.356 10 5 EGBERN Cc1cc(N2CCC(Oc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074763703 454630809 /nfs/dbraw/zinc/63/08/09/454630809.db2.gz GMJQWYIJKJIIJS-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065924591 454640002 /nfs/dbraw/zinc/64/00/02/454640002.db2.gz WTUYOGYMAWULMA-DGKWVBSXSA-N 0 0 329.400 3.044 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000092825914 454641316 /nfs/dbraw/zinc/64/13/16/454641316.db2.gz MYVQZJBKHAQZSD-LLVKDONJSA-N 0 0 331.351 3.044 10 5 EGBERN COc1ccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000105895855 454664835 /nfs/dbraw/zinc/66/48/35/454664835.db2.gz FQOPWQOWUWRDEH-HNNXBMFYSA-N 0 0 344.415 3.291 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1ccccc1O ZINC000176221610 454713397 /nfs/dbraw/zinc/71/33/97/454713397.db2.gz SZDVQPGRRUNWQB-UHFFFAOYSA-N 0 0 329.356 3.281 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000152760000 454722744 /nfs/dbraw/zinc/72/27/44/454722744.db2.gz XLZFZNVUWOKFGD-JOYOIKCWSA-N 0 0 332.381 3.259 10 5 EGBERN Cc1occc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612530871 460651248 /nfs/dbraw/zinc/65/12/48/460651248.db2.gz GKHLPVDVIWITCJ-UHFFFAOYSA-N 0 0 328.246 3.445 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000136959794 454762699 /nfs/dbraw/zinc/76/26/99/454762699.db2.gz FKESMRMUIZTFCD-LBPRGKRZSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125183551 454802752 /nfs/dbraw/zinc/80/27/52/454802752.db2.gz OJTJDLGIVTVVGT-ZDUSSCGKSA-N 0 0 340.445 3.261 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000153669468 454819547 /nfs/dbraw/zinc/81/95/47/454819547.db2.gz ZVRBEFJOFQAUIL-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000141431037 454829442 /nfs/dbraw/zinc/82/94/42/454829442.db2.gz GHKJVMNNPYZFPL-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000154122216 454867481 /nfs/dbraw/zinc/86/74/81/454867481.db2.gz MOBPBYJPMQUJLH-SFHVURJKSA-N 0 0 328.368 3.490 10 5 EGBERN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccnc1 ZINC000163900261 454868615 /nfs/dbraw/zinc/86/86/15/454868615.db2.gz VMFKSULCPZORJJ-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000150036395 454880233 /nfs/dbraw/zinc/88/02/33/454880233.db2.gz KIAMPFSFYSPJTI-UHFFFAOYSA-N 0 0 343.387 3.274 10 5 EGBERN CC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000150838094 454899413 /nfs/dbraw/zinc/89/94/13/454899413.db2.gz AEIQCADXLOILNF-UHFFFAOYSA-N 0 0 333.731 3.407 10 5 EGBERN CC[C@H](NC(=O)CCc1nnc(C(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000177805664 454908398 /nfs/dbraw/zinc/90/83/98/454908398.db2.gz GJZAQGVQDRFVGT-AWEZNQCLSA-N 0 0 346.387 3.301 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177813640 454909623 /nfs/dbraw/zinc/90/96/23/454909623.db2.gz FFZLEBVVKMNMFI-HZPDHXFCSA-N 0 0 326.352 3.338 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808394 454923743 /nfs/dbraw/zinc/92/37/43/454923743.db2.gz RPXLTDJVTRPUKR-GXTWGEPZSA-N 0 0 329.404 3.243 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167790931 454924136 /nfs/dbraw/zinc/92/41/36/454924136.db2.gz YQEVQMNHPDIJLT-GXTWGEPZSA-N 0 0 329.404 3.243 10 5 EGBERN CCC1CCC(N(C(=O)c2nn(CC)cc2[N+](=O)[O-])C2CC2)CC1 ZINC000191500977 455491497 /nfs/dbraw/zinc/49/14/97/455491497.db2.gz QTUYTCIQUWZORV-UHFFFAOYSA-N 0 0 334.420 3.385 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1Cc1ccccc1 ZINC000170653999 454950350 /nfs/dbraw/zinc/95/03/50/454950350.db2.gz ALUZEZMIVPMZCS-QGZVFWFLSA-N 0 0 341.367 3.070 10 5 EGBERN Cc1[nH]c(CN(C)C(=O)[C@H]2CC2(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000170688838 454956935 /nfs/dbraw/zinc/95/69/35/454956935.db2.gz MYOVEURSEHOWCJ-CQSZACIVSA-N 0 0 342.399 3.298 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000170947743 455004048 /nfs/dbraw/zinc/00/40/48/455004048.db2.gz PYABJIFZDLOYHM-IRXDYDNUSA-N 0 0 326.352 3.023 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128102117 455026295 /nfs/dbraw/zinc/02/62/95/455026295.db2.gz IZFFKAJHMYRCBT-ZBEGNZNMSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000155666850 455029047 /nfs/dbraw/zinc/02/90/47/455029047.db2.gz NDGFYGSMXWWXDR-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000171303041 455059370 /nfs/dbraw/zinc/05/93/70/455059370.db2.gz DALOZEOBELYCMC-UHFFFAOYSA-N 0 0 345.786 3.413 10 5 EGBERN Cc1ccc(-c2cc(Cn3cc([N+](=O)[O-])cc(C)c3=O)on2)cc1 ZINC000155931151 455064250 /nfs/dbraw/zinc/06/42/50/455064250.db2.gz FTOIZVXDHQMRNK-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(C)cn1 ZINC000612556174 460659995 /nfs/dbraw/zinc/65/99/95/460659995.db2.gz GEOCWLBAFKSLIV-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN COC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171467162 455071995 /nfs/dbraw/zinc/07/19/95/455071995.db2.gz CXWYFKXAVDTPJB-HNNXBMFYSA-N 0 0 348.402 3.413 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000172036818 455111851 /nfs/dbraw/zinc/11/18/51/455111851.db2.gz HQFRGJUUXQXHPB-LBPRGKRZSA-N 0 0 342.351 3.498 10 5 EGBERN Cc1nc(C2(NC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000118793005 455112040 /nfs/dbraw/zinc/11/20/40/455112040.db2.gz CNGJCLRKZYPIKC-UHFFFAOYSA-N 0 0 345.359 3.186 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000172073283 455118091 /nfs/dbraw/zinc/11/80/91/455118091.db2.gz KIGZBDNERASUBM-CQSZACIVSA-N 0 0 336.369 3.022 10 5 EGBERN CCn1cnnc1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179549 455133004 /nfs/dbraw/zinc/13/30/04/455133004.db2.gz SUUCWTGRNSNHKX-UHFFFAOYSA-N 0 0 349.822 3.239 10 5 EGBERN COc1cccc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000130144438 455144627 /nfs/dbraw/zinc/14/46/27/455144627.db2.gz IAFPDMHUKCPZFP-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000156991222 455160041 /nfs/dbraw/zinc/16/00/41/455160041.db2.gz UXLIAIDVJJNTFB-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN O=C(CN1CC2(CC2)c2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172640788 455166636 /nfs/dbraw/zinc/16/66/36/455166636.db2.gz ODRJTHHGMPGWMT-UHFFFAOYSA-N 0 0 349.390 3.036 10 5 EGBERN CCOC(=O)CCN(C(=O)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000180481027 455178191 /nfs/dbraw/zinc/17/81/91/455178191.db2.gz MRZYJSBIBNYKIM-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000189549300 455216978 /nfs/dbraw/zinc/21/69/78/455216978.db2.gz MBWJGBABJRZQNB-CYBMUJFWSA-N 0 0 343.383 3.415 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000173595900 455312613 /nfs/dbraw/zinc/31/26/13/455312613.db2.gz WBNWXEPXEYQYHB-ZDUSSCGKSA-N 0 0 330.344 3.079 10 5 EGBERN C[C@](O)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000190458184 455321559 /nfs/dbraw/zinc/32/15/59/455321559.db2.gz BAKJJLOOKXYPCC-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183871452 455334576 /nfs/dbraw/zinc/33/45/76/455334576.db2.gz VUIIFLQWAPXJBZ-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN C[C@@](O)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000190554165 455342264 /nfs/dbraw/zinc/34/22/64/455342264.db2.gz VIVWXDPTCDPYSE-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN CC(C)N(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000184131759 455355187 /nfs/dbraw/zinc/35/51/87/455355187.db2.gz HHFLECRKCPBETD-GFCCVEGCSA-N 0 0 338.379 3.253 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364217 455498004 /nfs/dbraw/zinc/49/80/04/455498004.db2.gz FZDBRPDBYOFNFV-BMFZPTHFSA-N 0 0 340.807 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000191637198 455506449 /nfs/dbraw/zinc/50/64/49/455506449.db2.gz FZKJKIHKKYRJOZ-DZGCQCFKSA-N 0 0 342.399 3.077 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 ZINC000191637155 455506462 /nfs/dbraw/zinc/50/64/62/455506462.db2.gz FZKJKIHKKYRJOZ-HIFRSBDPSA-N 0 0 342.399 3.077 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)C(C)C)n1 ZINC000191721735 455513685 /nfs/dbraw/zinc/51/36/85/455513685.db2.gz YNTMTKHXJGFOBI-HNNXBMFYSA-N 0 0 344.415 3.056 10 5 EGBERN C[C@@H](CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000182489877 455524218 /nfs/dbraw/zinc/52/42/18/455524218.db2.gz SRYQPQZRMMCIRI-JTQLQIEISA-N 0 0 344.396 3.408 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000161159010 455541992 /nfs/dbraw/zinc/54/19/92/455541992.db2.gz RHFYWZDMZWXFML-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN O=C(NCc1ccc(C(F)F)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000185403597 455555047 /nfs/dbraw/zinc/55/50/47/455555047.db2.gz YZJZFBJQOQYGNW-UHFFFAOYSA-N 0 0 346.293 3.339 10 5 EGBERN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC(C)(C)C ZINC000161306629 455557296 /nfs/dbraw/zinc/55/72/96/455557296.db2.gz MXZHVJBFJNXOOK-CQSZACIVSA-N 0 0 336.388 3.143 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000161309978 455558412 /nfs/dbraw/zinc/55/84/12/455558412.db2.gz KHNNODJBLOFACI-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000182700340 455571028 /nfs/dbraw/zinc/57/10/28/455571028.db2.gz GMXRUGMAHPPIIH-UHFFFAOYSA-N 0 0 332.381 3.172 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnc(OCC2CC2)cn1 ZINC000283810982 455596754 /nfs/dbraw/zinc/59/67/54/455596754.db2.gz IIKBDQRNFUYKSL-UHFFFAOYSA-N 0 0 348.746 3.079 10 5 EGBERN Cc1cc(N(C)[C@@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185878312 455641502 /nfs/dbraw/zinc/64/15/02/455641502.db2.gz HXCZKEMBRSDMEB-MRXNPFEDSA-N 0 0 344.415 3.203 10 5 EGBERN Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248085143 455679897 /nfs/dbraw/zinc/67/98/97/455679897.db2.gz SQNVVKFZMJQBFL-WMZOPIPTSA-N 0 0 339.395 3.078 10 5 EGBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCCN(C)C1 ZINC000277852315 455686717 /nfs/dbraw/zinc/68/67/17/455686717.db2.gz AHMKZGNKSFUJJR-AWEZNQCLSA-N 0 0 349.434 3.260 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)CCC(=O)N2CC ZINC000192768942 455688554 /nfs/dbraw/zinc/68/85/54/455688554.db2.gz UVGFOUWYVOURTN-UHFFFAOYSA-N 0 0 343.387 3.162 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268968651 455749144 /nfs/dbraw/zinc/74/91/44/455749144.db2.gz LFCQJZNMNOZAEH-UHFFFAOYSA-N 0 0 346.290 3.112 10 5 EGBERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282535 455750681 /nfs/dbraw/zinc/75/06/81/455750681.db2.gz XJDUSDQBCQFURQ-OLZOCXBDSA-N 0 0 331.372 3.482 10 5 EGBERN C[C@@H](C[C@H](O)c1cccs1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278160832 455773642 /nfs/dbraw/zinc/77/36/42/455773642.db2.gz AIMWIPHTYDYXJQ-ZANVPECISA-N 0 0 332.385 3.457 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC000271857740 455789113 /nfs/dbraw/zinc/78/91/13/455789113.db2.gz IJDHIWQWFKHVNT-CQSZACIVSA-N 0 0 333.775 3.091 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc2ccccn21 ZINC000252517741 455819132 /nfs/dbraw/zinc/81/91/32/455819132.db2.gz QFLIUARBPDFKFC-MELADBBJSA-N 0 0 342.399 3.374 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](CO)c1ccccc1 ZINC000278352025 455826479 /nfs/dbraw/zinc/82/64/79/455826479.db2.gz JSXPYRUACFKSQI-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN CCc1cc(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC000612685983 460699367 /nfs/dbraw/zinc/69/93/67/460699367.db2.gz KGZOWPWSRCVLFZ-MRXNPFEDSA-N 0 0 328.372 3.137 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296232610 455886290 /nfs/dbraw/zinc/88/62/90/455886290.db2.gz VYFMXEBYPFMOJL-JQWIXIFHSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000272341326 455919926 /nfs/dbraw/zinc/91/99/26/455919926.db2.gz MQWCQCMQSSAINU-UKRRQHHQSA-N 0 0 335.404 3.164 10 5 EGBERN CC(C)C[C@@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296418640 455933537 /nfs/dbraw/zinc/93/35/37/455933537.db2.gz LIAZIIBLFVJCSL-LLVKDONJSA-N 0 0 342.359 3.375 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000187837147 455959408 /nfs/dbraw/zinc/95/94/08/455959408.db2.gz UVZSSWBRXBQMIT-UHFFFAOYSA-N 0 0 325.368 3.472 10 5 EGBERN Cc1cc(C)n(CC2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000301444463 456117897 /nfs/dbraw/zinc/11/78/97/456117897.db2.gz QHRSKVNGSBTDND-UHFFFAOYSA-N 0 0 329.404 3.028 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2sc(C)nc2C)c1 ZINC000301453561 456121018 /nfs/dbraw/zinc/12/10/18/456121018.db2.gz VJVDMMAHZHTATB-UHFFFAOYSA-N 0 0 325.365 3.470 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297117958 456123622 /nfs/dbraw/zinc/12/36/22/456123622.db2.gz HXNWPFYRLAYZQS-UHFFFAOYSA-N 0 0 332.360 3.392 10 5 EGBERN Cc1cc(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc(C)c1O ZINC000188747663 456127164 /nfs/dbraw/zinc/12/71/64/456127164.db2.gz YUGXUWQFTZCLQJ-UHFFFAOYSA-N 0 0 332.331 3.029 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ncc(F)cc3[N+](=O)[O-])C2)c1 ZINC000601111779 460714821 /nfs/dbraw/zinc/71/48/21/460714821.db2.gz WRRBWWBVJXUJSF-GFCCVEGCSA-N 0 0 346.362 3.076 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301539960 456141857 /nfs/dbraw/zinc/14/18/57/456141857.db2.gz JTGKLJAWITZUGW-KECNAYIYSA-N 0 0 326.418 3.095 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000188854281 456152027 /nfs/dbraw/zinc/15/20/27/456152027.db2.gz WDGFAISTBMXEDR-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301673807 456182282 /nfs/dbraw/zinc/18/22/82/456182282.db2.gz GMNXUGZRJXGIFP-CYBMUJFWSA-N 0 0 346.225 3.351 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3C[C@@H]3C3CCCCC3)cc2N1 ZINC000301675959 456183644 /nfs/dbraw/zinc/18/36/44/456183644.db2.gz HNSKAERXYLQGTO-NEPJUHHUSA-N 0 0 331.372 3.306 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1ccnn1C ZINC000281275352 456186280 /nfs/dbraw/zinc/18/62/80/456186280.db2.gz FZGLEBMHMKODOR-INIZCTEOSA-N 0 0 330.388 3.064 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189183047 456247139 /nfs/dbraw/zinc/24/71/39/456247139.db2.gz AAKMVYQTGHTOTQ-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302046280 456275526 /nfs/dbraw/zinc/27/55/26/456275526.db2.gz KVLSZEWRNNASLE-QMTHXVAHSA-N 0 0 344.458 3.076 10 5 EGBERN C[NH+](C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000302050265 456276308 /nfs/dbraw/zinc/27/63/08/456276308.db2.gz ONLQHEHCWIMUHS-QGZVFWFLSA-N 0 0 349.818 3.455 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000601133051 460725027 /nfs/dbraw/zinc/72/50/27/460725027.db2.gz SJMIRAHCVPOBAU-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN COc1cc(CN(C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000352771557 456292246 /nfs/dbraw/zinc/29/22/46/456292246.db2.gz ZAHVIHIHUPOWPQ-UHFFFAOYSA-N 0 0 346.412 3.253 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ncc(C(C)(C)C)o2)c1 ZINC000302201726 456315130 /nfs/dbraw/zinc/31/51/30/456315130.db2.gz VLBZUPCKEBXOHS-UHFFFAOYSA-N 0 0 333.344 3.279 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000337047974 456323060 /nfs/dbraw/zinc/32/30/60/456323060.db2.gz NJTMYTURZHHOAR-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN COc1cc(NCCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1F ZINC000302487484 456349317 /nfs/dbraw/zinc/34/93/17/456349317.db2.gz ZEUBIVZXIHRKQW-UHFFFAOYSA-N 0 0 344.346 3.284 10 5 EGBERN CC[C@H]1CO[C@H](C)CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275923865 456351712 /nfs/dbraw/zinc/35/17/12/456351712.db2.gz QJUNJUDQFJWDQE-PWSUYJOCSA-N 0 0 326.780 3.196 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000302682615 456373717 /nfs/dbraw/zinc/37/37/17/456373717.db2.gz AGYFEILKYQDZLF-INIZCTEOSA-N 0 0 329.356 3.063 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352885014 456388685 /nfs/dbraw/zinc/38/86/85/456388685.db2.gz VGKMYTQYTLCITP-GFCCVEGCSA-N 0 0 335.385 3.128 10 5 EGBERN Cn1c(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000343083324 456394419 /nfs/dbraw/zinc/39/44/19/456394419.db2.gz FCKQTQKRVFJZLE-GFCCVEGCSA-N 0 0 349.774 3.230 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000347848625 456403686 /nfs/dbraw/zinc/40/36/86/456403686.db2.gz OEWSQYWCJOXGLF-CABZTGNLSA-N 0 0 348.346 3.486 10 5 EGBERN Cc1cn([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc1[N+](=O)[O-] ZINC000282145564 456424750 /nfs/dbraw/zinc/42/47/50/456424750.db2.gz BIQVEBIVSWEQEW-VXGBXAGGSA-N 0 0 342.355 3.284 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(Br)cc1)CC2 ZINC000352998843 456438845 /nfs/dbraw/zinc/43/88/45/456438845.db2.gz GVVQBWOBCHWFSE-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(O)c1 ZINC000337670813 456472610 /nfs/dbraw/zinc/47/26/10/456472610.db2.gz XGVRQPMMPKWPJZ-UHFFFAOYSA-N 0 0 346.387 3.168 10 5 EGBERN O=C(Nc1cc(F)cc(F)c1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348125212 456501384 /nfs/dbraw/zinc/50/13/84/456501384.db2.gz XXQHDSVLYYLLGF-UHFFFAOYSA-N 0 0 336.229 3.141 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000291097026 456527502 /nfs/dbraw/zinc/52/75/02/456527502.db2.gz SWOZNGWZEIPIBR-FUHWJXTLSA-N 0 0 349.431 3.240 10 5 EGBERN Cc1nnc(CNc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000340608400 456568874 /nfs/dbraw/zinc/56/88/74/456568874.db2.gz PCCDGTXNTUWHEE-UHFFFAOYSA-N 0 0 329.179 3.129 10 5 EGBERN COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(OC)c1OC ZINC000340613450 456572118 /nfs/dbraw/zinc/57/21/18/456572118.db2.gz ZUUIDGBKNVLCST-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000340620546 456576127 /nfs/dbraw/zinc/57/61/27/456576127.db2.gz ISGKWXZVGROOGA-RHSMWYFYSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1cccc2[nH]cc(CCNc3ccc(C(N)=O)cc3[N+](=O)[O-])c21 ZINC000343517450 456675595 /nfs/dbraw/zinc/67/55/95/456675595.db2.gz NDIIXIBQYYOOGO-UHFFFAOYSA-N 0 0 338.367 3.138 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC3CCC2CC3)s1 ZINC000340776885 456680869 /nfs/dbraw/zinc/68/08/69/456680869.db2.gz LNCOTPXMMJGRFV-RTBKNWGFSA-N 0 0 330.431 3.050 10 5 EGBERN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)NC1CCCCC1 ZINC000340854647 456721131 /nfs/dbraw/zinc/72/11/31/456721131.db2.gz KVBPZKRJHREOHV-UHFFFAOYSA-N 0 0 336.779 3.047 10 5 EGBERN CCOC(=O)c1cnn(Cc2c(F)cccc2[N+](=O)[O-])c1C(F)F ZINC000340856424 456722217 /nfs/dbraw/zinc/72/22/17/456722217.db2.gz VBQQZHZCTRUZCW-UHFFFAOYSA-N 0 0 343.261 3.093 10 5 EGBERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291727392 456736120 /nfs/dbraw/zinc/73/61/20/456736120.db2.gz MFWNHAOAXWYOLY-DTORHVGOSA-N 0 0 346.214 3.066 10 5 EGBERN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000340901312 456749404 /nfs/dbraw/zinc/74/94/04/456749404.db2.gz OWUWBXHHGLAYIX-RYUDHWBXSA-N 0 0 339.355 3.452 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2cccnc2)c(C(F)(F)F)c1 ZINC000340905874 456753127 /nfs/dbraw/zinc/75/31/27/456753127.db2.gz VZQGFJSGZJAVBL-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1cccs1 ZINC000283469965 456786744 /nfs/dbraw/zinc/78/67/44/456786744.db2.gz PBPBCUXBPYJBIP-VIFPVBQESA-N 0 0 337.376 3.352 10 5 EGBERN C[C@@H](O)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000344099150 456796628 /nfs/dbraw/zinc/79/66/28/456796628.db2.gz NETXBXPEGUXHOM-GFCCVEGCSA-N 0 0 345.355 3.280 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301134167 456805235 /nfs/dbraw/zinc/80/52/35/456805235.db2.gz WPLUKYZJCIKFEJ-LBPRGKRZSA-N 0 0 337.395 3.111 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccnc1 ZINC000277413547 456817646 /nfs/dbraw/zinc/81/76/46/456817646.db2.gz HYVMERIMVWZDPB-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN O=[N+]([O-])c1sc(NCc2cccnc2)nc1NCc1cccnc1 ZINC000301208180 456822009 /nfs/dbraw/zinc/82/20/09/456822009.db2.gz RTVHLPRKSNHHGZ-UHFFFAOYSA-N 0 0 342.384 3.066 10 5 EGBERN CCC(CC)N(CCOC)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341216620 456822638 /nfs/dbraw/zinc/82/26/38/456822638.db2.gz MPZJARKTVADAPB-UHFFFAOYSA-N 0 0 344.358 3.079 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000341281669 456831152 /nfs/dbraw/zinc/83/11/52/456831152.db2.gz HZXSGKOKDNHPOX-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(NCc1cscn1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348736668 456835262 /nfs/dbraw/zinc/83/52/62/456835262.db2.gz VCTLXQYDJWNQOQ-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341304198 456837529 /nfs/dbraw/zinc/83/75/29/456837529.db2.gz CIIBPBBZCCMSGB-GFCCVEGCSA-N 0 0 341.367 3.434 10 5 EGBERN CC(C)(NC(=O)NCCCc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000292085669 456851495 /nfs/dbraw/zinc/85/14/95/456851495.db2.gz RRRHEGPNTUYIEI-UHFFFAOYSA-N 0 0 348.428 3.218 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000339166614 456974077 /nfs/dbraw/zinc/97/40/77/456974077.db2.gz PJGJNNFVOJTTQB-IUODEOHRSA-N 0 0 326.352 3.198 10 5 EGBERN CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])c3cccc1c32 ZINC000345638034 456985512 /nfs/dbraw/zinc/98/55/12/456985512.db2.gz XMHJGHOKIZDVFU-ZWNOBZJWSA-N 0 0 340.383 3.348 10 5 EGBERN C[C@H](NC(=O)N(C)Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000341917544 456999795 /nfs/dbraw/zinc/99/97/95/456999795.db2.gz LJFAZDBTTZOMJW-LBPRGKRZSA-N 0 0 329.356 3.203 10 5 EGBERN O=C(Nc1cccc2c[nH]nc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358900941 457032272 /nfs/dbraw/zinc/03/22/72/457032272.db2.gz LVAMIWCVHKHBQB-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN Cc1ccc(CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000342040673 457074372 /nfs/dbraw/zinc/07/43/72/457074372.db2.gz UWVGOZITUMJUHR-UHFFFAOYSA-N 0 0 340.351 3.444 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc4sccc4c3)no2)n1 ZINC000356602554 457078631 /nfs/dbraw/zinc/07/86/31/457078631.db2.gz ICNWXEZRPXDQQB-UHFFFAOYSA-N 0 0 327.325 3.260 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)cc([N+](=O)[O-])c1C ZINC000346653556 457092891 /nfs/dbraw/zinc/09/28/91/457092891.db2.gz JBNHJUKENRBMGP-MWLCHTKSSA-N 0 0 333.344 3.244 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCCC2(C)CC2)cc1[N+](=O)[O-] ZINC000342234833 457183605 /nfs/dbraw/zinc/18/36/05/457183605.db2.gz NZPOZQFDAZWRJW-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN CCNc1ccc(C(=O)N2CCCC[C@@H](CCOC)C2)cc1[N+](=O)[O-] ZINC000342277252 457206801 /nfs/dbraw/zinc/20/68/01/457206801.db2.gz VGKJYYPWTVUTSA-AWEZNQCLSA-N 0 0 349.431 3.305 10 5 EGBERN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000363057191 457210687 /nfs/dbraw/zinc/21/06/87/457210687.db2.gz ONCXWRABZQAKII-LLVKDONJSA-N 0 0 349.822 3.417 10 5 EGBERN Cc1cc(N2CCO[C@H](c3cccc(O)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000360064341 457235032 /nfs/dbraw/zinc/23/50/32/457235032.db2.gz BXQKGZUTFOZSMS-KRWDZBQOSA-N 0 0 332.331 3.326 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000363165977 457244146 /nfs/dbraw/zinc/24/41/46/457244146.db2.gz MFZUPWJPZVHFHY-UHFFFAOYSA-N 0 0 333.388 3.265 10 5 EGBERN Cc1ccncc1CN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000360086233 457247573 /nfs/dbraw/zinc/24/75/73/457247573.db2.gz DYCMBKPFAZQSKL-UHFFFAOYSA-N 0 0 342.399 3.073 10 5 EGBERN CCc1noc(CC)c1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360115189 457262682 /nfs/dbraw/zinc/26/26/82/457262682.db2.gz BDDNVVHYBFVLAL-UHFFFAOYSA-N 0 0 333.344 3.106 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2cccnc2)C2CC2)c1 ZINC000360118242 457264086 /nfs/dbraw/zinc/26/40/86/457264086.db2.gz OPYLYJODVOXWGR-MRXNPFEDSA-N 0 0 327.340 3.340 10 5 EGBERN Cc1n[nH]cc1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347171397 457269807 /nfs/dbraw/zinc/26/98/07/457269807.db2.gz SMMIGUPNEOOKEY-UHFFFAOYSA-N 0 0 340.137 3.033 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000354539154 457276598 /nfs/dbraw/zinc/27/65/98/457276598.db2.gz GHFVPEFVMLMGNN-LBPRGKRZSA-N 0 0 347.346 3.002 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000351683019 457311827 /nfs/dbraw/zinc/31/18/27/457311827.db2.gz NGBOUDQGMMYCOK-PRDDCLIZSA-N 0 0 341.367 3.157 10 5 EGBERN Cc1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000347287986 457332677 /nfs/dbraw/zinc/33/26/77/457332677.db2.gz JDAAHZQCFICZRX-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Nc1ccc(-c2noc(CSCc3ccccn3)n2)cc1[N+](=O)[O-] ZINC000355436556 457374023 /nfs/dbraw/zinc/37/40/23/457374023.db2.gz DFWWZRCXFDTXSJ-UHFFFAOYSA-N 0 0 343.368 3.055 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1[C@@H](C)C1CC1 ZINC000342636305 457419839 /nfs/dbraw/zinc/41/98/39/457419839.db2.gz TUJYRPNPMWJWSW-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ccncn3)C2)c(Cl)c1 ZINC000363716607 457426125 /nfs/dbraw/zinc/42/61/25/457426125.db2.gz YFOLILMUNDECPK-ZDUSSCGKSA-N 0 0 332.791 3.418 10 5 EGBERN O=C(NCc1ncccc1O)c1cc2ccccc2c2cccnc12 ZINC000352511827 457429504 /nfs/dbraw/zinc/42/95/04/457429504.db2.gz ZXQXDKUOUUKXEF-UHFFFAOYSA-N 0 0 329.359 3.419 10 5 EGBERN CC(=O)c1cc(NCC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000342665456 457439900 /nfs/dbraw/zinc/43/99/00/457439900.db2.gz CRTKYEGUNGWYTK-AWEZNQCLSA-N 0 0 342.351 3.439 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C3(c4cccc(F)c4)CC3)n2)nc1 ZINC000357324894 457447738 /nfs/dbraw/zinc/44/77/38/457447738.db2.gz AFSCQPSMXCUIJL-UHFFFAOYSA-N 0 0 340.314 3.183 10 5 EGBERN Cc1ccccc1C1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000357330963 457451677 /nfs/dbraw/zinc/45/16/77/457451677.db2.gz IFJBEOHJWNYMCK-UHFFFAOYSA-N 0 0 336.351 3.352 10 5 EGBERN CCn1c(C)cc(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000352549959 457459553 /nfs/dbraw/zinc/45/95/53/457459553.db2.gz JOOKRNFPHSBLOT-UHFFFAOYSA-N 0 0 343.427 3.390 10 5 EGBERN CCn1cnnc1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555233 457463253 /nfs/dbraw/zinc/46/32/53/457463253.db2.gz KRIJKRWZXQAMTC-GOSISDBHSA-N 0 0 337.383 3.085 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccon2)no1 ZINC000357360828 457471206 /nfs/dbraw/zinc/47/12/06/457471206.db2.gz XKLWIUCBPGNTHJ-ZETCQYMHSA-N 0 0 336.691 3.426 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000360965950 457473067 /nfs/dbraw/zinc/47/30/67/457473067.db2.gz LLFIDDXRTXOSTF-CYBMUJFWSA-N 0 0 344.371 3.190 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000425306063 457490574 /nfs/dbraw/zinc/49/05/74/457490574.db2.gz PTVPBIFWXNDVHB-UHFFFAOYSA-N 0 0 343.261 3.148 10 5 EGBERN Cc1ccc(NC(=O)c2ncsc2Br)cc1[N+](=O)[O-] ZINC000361026456 457522163 /nfs/dbraw/zinc/52/21/63/457522163.db2.gz IPVYUVRAHQHJOG-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN COc1ccc(NC(=O)c2cc(-n3cccc3)ccn2)c([N+](=O)[O-])c1 ZINC000361026440 457521744 /nfs/dbraw/zinc/52/17/44/457521744.db2.gz IJUFCFHRAWFYSJ-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN CNc1c(C(=O)N2CCc3ccccc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000404735020 457547275 /nfs/dbraw/zinc/54/72/75/457547275.db2.gz LETSYWPRJUPCSE-CYBMUJFWSA-N 0 0 339.395 3.439 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1CCc1ccccc1 ZINC000364402086 457593653 /nfs/dbraw/zinc/59/36/53/457593653.db2.gz IUSYOTBVUCUSGC-OAHLLOKOSA-N 0 0 325.368 3.227 10 5 EGBERN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c(OC)c1 ZINC000410359132 457637857 /nfs/dbraw/zinc/63/78/57/457637857.db2.gz KCDXGBPXLDJLEI-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(C)n1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC000410670069 457656670 /nfs/dbraw/zinc/65/66/70/457656670.db2.gz DWPZWUJHPRIEJR-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410674037 457657142 /nfs/dbraw/zinc/65/71/42/457657142.db2.gz LDTCCRSYGZRFLJ-UHFFFAOYSA-N 0 0 341.367 3.001 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587717 457678307 /nfs/dbraw/zinc/67/83/07/457678307.db2.gz IZGMDSWCBQKFIO-BDJLRTHQSA-N 0 0 329.331 3.352 10 5 EGBERN CC(C)(C)n1cnc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000361442582 457733364 /nfs/dbraw/zinc/73/33/64/457733364.db2.gz JIPVIKZVIJXGLY-UHFFFAOYSA-N 0 0 341.371 3.235 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411039970 457782161 /nfs/dbraw/zinc/78/21/61/457782161.db2.gz ZSZJFGVBMITTSN-SUMWQHHRSA-N 0 0 349.431 3.208 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000358115571 457794358 /nfs/dbraw/zinc/79/43/58/457794358.db2.gz CUHBAKHZOKHQIH-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@@H](C(=O)N1CC2CC1(C(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000411110738 457804083 /nfs/dbraw/zinc/80/40/83/457804083.db2.gz DOLGLALFPSLHIU-NQTXRORDSA-N 0 0 346.280 3.391 10 5 EGBERN CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443794503 457812277 /nfs/dbraw/zinc/81/22/77/457812277.db2.gz XVDGVBMTWOHQIB-CJNGLKHVSA-N 0 0 340.445 3.325 10 5 EGBERN CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443793979 457812296 /nfs/dbraw/zinc/81/22/96/457812296.db2.gz WLQVVVQTLGINBH-CJNGLKHVSA-N 0 0 340.445 3.325 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444029705 457844841 /nfs/dbraw/zinc/84/48/41/457844841.db2.gz IHAILEMRRCCWIF-DZGCQCFKSA-N 0 0 342.399 3.337 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1CCCCCC1 ZINC000411586168 457924890 /nfs/dbraw/zinc/92/48/90/457924890.db2.gz NKFYRRSOWRCUJK-UHFFFAOYSA-N 0 0 347.415 3.237 10 5 EGBERN Cn1c(C(=O)N2CCC(F)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000434040875 457937171 /nfs/dbraw/zinc/93/71/71/457937171.db2.gz GBHWIPDUADJTKJ-UHFFFAOYSA-N 0 0 331.347 3.034 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444711609 457951206 /nfs/dbraw/zinc/95/12/06/457951206.db2.gz XMNWDUGRAPJABZ-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@H](c3ccncn3)C2)ccc1Cl ZINC000361958405 457978991 /nfs/dbraw/zinc/97/89/91/457978991.db2.gz YRMPTXCIWZPKHA-ZDUSSCGKSA-N 0 0 332.791 3.418 10 5 EGBERN CC(C)n1cc(CSCc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000427698341 458023997 /nfs/dbraw/zinc/02/39/97/458023997.db2.gz YDNFSCXJJCGXFM-UHFFFAOYSA-N 0 0 328.344 3.479 10 5 EGBERN Cn1c(C(=O)Nc2c3c(cc4c2CCC4)CCC3)ccc1[N+](=O)[O-] ZINC000362148127 458034343 /nfs/dbraw/zinc/03/43/43/458034343.db2.gz HRBLRJQBFABFFJ-UHFFFAOYSA-N 0 0 325.368 3.163 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CSc1nnc(C2CCC2)n1C ZINC000362342163 458115888 /nfs/dbraw/zinc/11/58/88/458115888.db2.gz ZQLQJHXCUCBOSM-UHFFFAOYSA-N 0 0 334.401 3.292 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000362345456 458118089 /nfs/dbraw/zinc/11/80/89/458118089.db2.gz MZJRBKNBEPADQW-UHFFFAOYSA-N 0 0 341.367 3.392 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCCN(c2ccccc2F)CC1 ZINC000375936945 458130936 /nfs/dbraw/zinc/13/09/36/458130936.db2.gz BYHVETGSDKLMQW-UHFFFAOYSA-N 0 0 349.387 3.148 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000428393859 458133366 /nfs/dbraw/zinc/13/33/66/458133366.db2.gz QAIUBCHCJODBAI-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412299226 458159451 /nfs/dbraw/zinc/15/94/51/458159451.db2.gz OEJCALHIIOABJB-WTDIUWLJSA-N 0 0 342.317 3.498 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000362538123 458254311 /nfs/dbraw/zinc/25/43/11/458254311.db2.gz QWVUMYUDIJZXKI-GFCCVEGCSA-N 0 0 341.367 3.069 10 5 EGBERN COc1cc(CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)cc(OC)c1 ZINC000436319230 458288814 /nfs/dbraw/zinc/28/88/14/458288814.db2.gz ZUGXQQMHZVRLPH-UHFFFAOYSA-N 0 0 343.383 3.216 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000376409393 458292149 /nfs/dbraw/zinc/29/21/49/458292149.db2.gz TUBLNPSEAJSZPI-HNNXBMFYSA-N 0 0 325.368 3.261 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000429220287 458292726 /nfs/dbraw/zinc/29/27/26/458292726.db2.gz NGSMZPUFPBFIIV-ZDUSSCGKSA-N 0 0 335.385 3.128 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429222987 458292791 /nfs/dbraw/zinc/29/27/91/458292791.db2.gz PXKLWSNNMCRWIB-GFCCVEGCSA-N 0 0 335.385 3.128 10 5 EGBERN COc1cc(C)c(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000436391008 458298362 /nfs/dbraw/zinc/29/83/62/458298362.db2.gz PNDWDFALCSIYOB-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCCc1cc(-c2ccncc2)n[nH]1 ZINC000436423662 458302907 /nfs/dbraw/zinc/30/29/07/458302907.db2.gz AJBQVMMQUNZWFP-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN COc1ccc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000447689519 458329973 /nfs/dbraw/zinc/32/99/73/458329973.db2.gz QEIVYNMIQIMBIR-SECBINFHSA-N 0 0 330.319 3.214 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000376828139 458398887 /nfs/dbraw/zinc/39/88/87/458398887.db2.gz MTLJRDXRQBSKBG-GFCCVEGCSA-N 0 0 345.786 3.460 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2CC23CCCC3)c([N+](=O)[O-])cc1OC ZINC000430244638 458427560 /nfs/dbraw/zinc/42/75/60/458427560.db2.gz QFNGFYMEWUVPIP-OAHLLOKOSA-N 0 0 334.372 3.065 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CCCC2 ZINC000430247334 458428695 /nfs/dbraw/zinc/42/86/95/458428695.db2.gz VBZXBAVARTTYNV-CQSZACIVSA-N 0 0 338.791 3.466 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000460202316 458505206 /nfs/dbraw/zinc/50/52/06/458505206.db2.gz OGORTROGHMLYQP-OLZOCXBDSA-N 0 0 329.404 3.498 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460233663 458507092 /nfs/dbraw/zinc/50/70/92/458507092.db2.gz VQRPIXJRHYGOFE-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCCCc1ccccn1 ZINC000431416159 458570135 /nfs/dbraw/zinc/57/01/35/458570135.db2.gz CKBJLSNYNIHZMY-UHFFFAOYSA-N 0 0 337.177 3.192 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000377918550 458572941 /nfs/dbraw/zinc/57/29/41/458572941.db2.gz RMPADXVWZSEQAO-ZBFHGGJFSA-N 0 0 339.395 3.392 10 5 EGBERN CC(C)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438509036 458588018 /nfs/dbraw/zinc/58/80/18/458588018.db2.gz XHBLIRZQORXDOV-LLVKDONJSA-N 0 0 325.796 3.165 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000431825602 458630626 /nfs/dbraw/zinc/63/06/26/458630626.db2.gz UALKHCLEVADBIB-MQMHXKEQSA-N 0 0 335.404 3.371 10 5 EGBERN Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(C)C)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431941205 458650453 /nfs/dbraw/zinc/65/04/53/458650453.db2.gz WGLXHWWCPLUJMG-IUODEOHRSA-N 0 0 333.388 3.273 10 5 EGBERN CO[C@@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000439164714 458665325 /nfs/dbraw/zinc/66/53/25/458665325.db2.gz BVHPTCXYGOAKFW-VXGBXAGGSA-N 0 0 326.780 3.100 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000502928203 458681470 /nfs/dbraw/zinc/68/14/70/458681470.db2.gz GYDSJESAJUYRHR-CQSZACIVSA-N 0 0 341.367 3.282 10 5 EGBERN CCCc1ncc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000456485716 458692857 /nfs/dbraw/zinc/69/28/57/458692857.db2.gz BLONUARHJXBFJT-JTQLQIEISA-N 0 0 335.335 3.094 10 5 EGBERN COc1cccc2c1nc(NCc1ccc([N+](=O)[O-])cc1Cl)n2C ZINC000471476129 458695335 /nfs/dbraw/zinc/69/53/35/458695335.db2.gz NASUKWJAJGSOIO-UHFFFAOYSA-N 0 0 346.774 3.178 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000424695168 458711251 /nfs/dbraw/zinc/71/12/51/458711251.db2.gz ZPXUZGWEHQSWPF-KGLIPLIRSA-N 0 0 337.395 3.350 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463840833 458721859 /nfs/dbraw/zinc/72/18/59/458721859.db2.gz KAMAZOVDKMUIJC-BFUOFWGJSA-N 0 0 339.395 3.081 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530388157 458758759 /nfs/dbraw/zinc/75/87/59/458758759.db2.gz QNTKXUKOGXJJNR-MGPQQGTHSA-N 0 0 335.404 3.050 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC(C)=C[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000432606171 458761015 /nfs/dbraw/zinc/76/10/15/458761015.db2.gz AINIDIDGTJPGGA-SNVBAGLBSA-N 0 0 347.371 3.120 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465746480 458846873 /nfs/dbraw/zinc/84/68/73/458846873.db2.gz FBLNRAHNVVULDC-CYBMUJFWSA-N 0 0 345.374 3.207 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000457083809 458859685 /nfs/dbraw/zinc/85/96/85/458859685.db2.gz MKRCTBUHLIGJEH-LBPRGKRZSA-N 0 0 340.807 3.445 10 5 EGBERN Cc1sc(C(=O)N[C@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000577076066 458976604 /nfs/dbraw/zinc/97/66/04/458976604.db2.gz MGPRJHWPSUZTKT-CQSZACIVSA-N 0 0 340.445 3.272 10 5 EGBERN C[C@H]1CCCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566652814 458976908 /nfs/dbraw/zinc/97/69/08/458976908.db2.gz DAIBBNZZTAXHNX-LBPRGKRZSA-N 0 0 330.388 3.203 10 5 EGBERN O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531880908 458994131 /nfs/dbraw/zinc/99/41/31/458994131.db2.gz BGPVUPDZEZANJR-UHFFFAOYSA-N 0 0 329.331 3.328 10 5 EGBERN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532141475 459035745 /nfs/dbraw/zinc/03/57/45/459035745.db2.gz RPTJYBNJMAUESA-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000532143732 459037149 /nfs/dbraw/zinc/03/71/49/459037149.db2.gz BHTCGFBTPUILTN-UHFFFAOYSA-N 0 0 344.352 3.251 10 5 EGBERN C[C@]12CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000589992235 459063757 /nfs/dbraw/zinc/06/37/57/459063757.db2.gz YVPKFCMIFYOPMF-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000567306036 459082134 /nfs/dbraw/zinc/08/21/34/459082134.db2.gz IULFWLNHOOTYPQ-CZUORRHYSA-N 0 0 325.368 3.196 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000594585028 459097795 /nfs/dbraw/zinc/09/77/95/459097795.db2.gz MPOHFDHKRAIBTJ-CZUORRHYSA-N 0 0 329.356 3.331 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000590178806 459098546 /nfs/dbraw/zinc/09/85/46/459098546.db2.gz CMACBPMRMLQYBW-CGTJXYLNSA-N 0 0 334.416 3.206 10 5 EGBERN CC[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594603800 459107262 /nfs/dbraw/zinc/10/72/62/459107262.db2.gz VVDXWJIMRIWMKV-PBHICJAKSA-N 0 0 347.415 3.247 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](C[C@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000594603346 459107290 /nfs/dbraw/zinc/10/72/90/459107290.db2.gz UJCZZTPGXZSYAC-SKDRFNHKSA-N 0 0 344.293 3.383 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000590392609 459122976 /nfs/dbraw/zinc/12/29/76/459122976.db2.gz ACWSPIPXEUCWFF-UHFFFAOYSA-N 0 0 342.355 3.426 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2sc(Cl)cc2C1 ZINC000567584466 459129614 /nfs/dbraw/zinc/12/96/14/459129614.db2.gz SFIJFAOGVSNFGD-UHFFFAOYSA-N 0 0 326.809 3.397 10 5 EGBERN CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752545 459151820 /nfs/dbraw/zinc/15/18/20/459151820.db2.gz SQFURYZGIWMXNB-CQSZACIVSA-N 0 0 349.412 3.152 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000590574776 459152740 /nfs/dbraw/zinc/15/27/40/459152740.db2.gz LURLBTKPTNPCNI-SECBINFHSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(Sc2nc(C)co2)ccc1[N+](=O)[O-] ZINC000590582842 459154045 /nfs/dbraw/zinc/15/40/45/459154045.db2.gz HFBQPKNIULJKNT-UHFFFAOYSA-N 0 0 328.733 3.482 10 5 EGBERN CC(C)(NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCC1 ZINC000594779302 459154213 /nfs/dbraw/zinc/15/42/13/459154213.db2.gz NONUCKGPTSGGDI-UHFFFAOYSA-N 0 0 349.412 3.000 10 5 EGBERN CCc1nnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757598 459206901 /nfs/dbraw/zinc/20/69/01/459206901.db2.gz BTLVCJGTJCCKFK-CYBMUJFWSA-N 0 0 332.429 3.388 10 5 EGBERN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000558816790 459213886 /nfs/dbraw/zinc/21/38/86/459213886.db2.gz WEARIASWXHPUCB-UHFFFAOYSA-N 0 0 349.749 3.400 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480784262 459218023 /nfs/dbraw/zinc/21/80/23/459218023.db2.gz ZGGOVRRXDVJTMI-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000558877121 459219674 /nfs/dbraw/zinc/21/96/74/459219674.db2.gz BASJKUABMMBLQF-GJZGRUSLSA-N 0 0 341.415 3.500 10 5 EGBERN Cc1cc(SCCn2ccc([N+](=O)[O-])n2)n(-c2ccccc2)n1 ZINC000559187286 459242356 /nfs/dbraw/zinc/24/23/56/459242356.db2.gz KEEGGFXMUJGUMO-UHFFFAOYSA-N 0 0 329.385 3.078 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595102606 459245841 /nfs/dbraw/zinc/24/58/41/459245841.db2.gz OAIYWRAUPOJQHM-SECBINFHSA-N 0 0 341.795 3.128 10 5 EGBERN C[C@@H]1CC=C(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000590862642 459250240 /nfs/dbraw/zinc/25/02/40/459250240.db2.gz UYNVIHLZYXPIEX-GFCCVEGCSA-N 0 0 327.384 3.481 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(OC(F)F)CC2)c1 ZINC000590883806 459258147 /nfs/dbraw/zinc/25/81/47/459258147.db2.gz BQGXSGSZARNBDH-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804129 459268106 /nfs/dbraw/zinc/26/81/06/459268106.db2.gz ZQLBHBSLWCSEIB-KEYYUXOJSA-N 0 0 345.443 3.036 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000595357340 459283516 /nfs/dbraw/zinc/28/35/16/459283516.db2.gz ZXQYPDRYCUFSAB-KRWDZBQOSA-N 0 0 332.331 3.013 10 5 EGBERN Cc1cnc(CCCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)o1 ZINC000581985199 459286817 /nfs/dbraw/zinc/28/68/17/459286817.db2.gz KGGRURWTNQOTPO-UHFFFAOYSA-N 0 0 328.328 3.425 10 5 EGBERN COc1ccccc1[C@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272119 459304705 /nfs/dbraw/zinc/30/47/05/459304705.db2.gz NKSIZBWEQDPELT-INIZCTEOSA-N 0 0 339.351 3.297 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595480061 459317763 /nfs/dbraw/zinc/31/77/63/459317763.db2.gz HXRJDWMMSQHWBZ-CHWSQXEVSA-N 0 0 333.388 3.009 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000568640593 459321760 /nfs/dbraw/zinc/32/17/60/459321760.db2.gz ZHRPZZUQBTXPLG-JOYOIKCWSA-N 0 0 328.796 3.084 10 5 EGBERN C[C@@H]1C[C@@H]1c1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568782359 459345377 /nfs/dbraw/zinc/34/53/77/459345377.db2.gz OJSWMZLBAMOZNA-SKDRFNHKSA-N 0 0 325.328 3.169 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000595616238 459370457 /nfs/dbraw/zinc/37/04/57/459370457.db2.gz RVLHVQIGMQMQBZ-CYBMUJFWSA-N 0 0 343.383 3.394 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000595733896 459418104 /nfs/dbraw/zinc/41/81/04/459418104.db2.gz JTCYNXDYNAFOLO-ZACQAIPSSA-N 0 0 332.400 3.149 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758851 459428437 /nfs/dbraw/zinc/42/84/37/459428437.db2.gz JCPDHSZRQMPPHN-QGZVFWFLSA-N 0 0 346.358 3.316 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cccc(Cl)c1 ZINC000485101343 459440787 /nfs/dbraw/zinc/44/07/87/459440787.db2.gz MMCXFWAEKCMSOH-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN Cc1cc(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)on1 ZINC000561449200 459453766 /nfs/dbraw/zinc/45/37/66/459453766.db2.gz GXHSAEAUGGGETF-UHFFFAOYSA-N 0 0 342.330 3.169 10 5 EGBERN CC[C@@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000525639873 459469859 /nfs/dbraw/zinc/46/98/59/459469859.db2.gz DHSWYCYZBWYINR-QGZVFWFLSA-N 0 0 330.384 3.251 10 5 EGBERN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889977 459476591 /nfs/dbraw/zinc/47/65/91/459476591.db2.gz JZJYXDSUAGYFQI-VXGBXAGGSA-N 0 0 348.321 3.015 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C(F)(F)F ZINC000561801142 459484467 /nfs/dbraw/zinc/48/44/67/459484467.db2.gz ULFHKRJFRBHKLI-UHFFFAOYSA-N 0 0 347.337 3.367 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H](CO)c1ccccc1)CCCC2 ZINC000591921289 459485049 /nfs/dbraw/zinc/48/50/49/459485049.db2.gz PJMWELVZLLTKAH-HNNXBMFYSA-N 0 0 327.384 3.057 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCc2n[nH]cc2C1 ZINC000596003593 459493536 /nfs/dbraw/zinc/49/35/36/459493536.db2.gz RQUKRTJAICDOQD-UHFFFAOYSA-N 0 0 326.278 3.290 10 5 EGBERN Cc1noc(CSc2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000596020437 459496908 /nfs/dbraw/zinc/49/69/08/459496908.db2.gz DJEXUBSJYCLUGQ-UHFFFAOYSA-N 0 0 326.281 3.054 10 5 EGBERN Cc1ccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000486461683 459502275 /nfs/dbraw/zinc/50/22/75/459502275.db2.gz PJIAFRCTCSTQSG-UHFFFAOYSA-N 0 0 334.322 3.083 10 5 EGBERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000541872839 459503360 /nfs/dbraw/zinc/50/33/60/459503360.db2.gz NGYSTSCHKGLBSB-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541916932 459510237 /nfs/dbraw/zinc/51/02/37/459510237.db2.gz TXVKYNUCOWYEDO-KBXCAEBGSA-N 0 0 347.415 3.195 10 5 EGBERN COc1cc(C(=O)NCC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000583303850 459516558 /nfs/dbraw/zinc/51/65/58/459516558.db2.gz HTSXZSWTZJGQIU-UHFFFAOYSA-N 0 0 338.257 3.061 10 5 EGBERN CC(C)(COCC(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569884950 459524263 /nfs/dbraw/zinc/52/42/63/459524263.db2.gz BMGJZQPFQCESQU-UHFFFAOYSA-N 0 0 327.287 3.204 10 5 EGBERN COc1cc(NCCN(C)CC(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596125395 459530195 /nfs/dbraw/zinc/53/01/95/459530195.db2.gz PSDOUFZBZLACLR-UHFFFAOYSA-N 0 0 341.717 3.163 10 5 EGBERN COc1cc(NCCC(=O)OC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596137030 459533264 /nfs/dbraw/zinc/53/32/64/459533264.db2.gz OGRCRFYMORKWCM-UHFFFAOYSA-N 0 0 330.768 3.401 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2(SC)CC2)ccc1[N+](=O)[O-] ZINC000596214503 459562671 /nfs/dbraw/zinc/56/26/71/459562671.db2.gz DYWLARQEAGYTTN-UHFFFAOYSA-N 0 0 330.793 3.342 10 5 EGBERN COc1cc(N2CC[C@H](n3cc(C)cn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596236770 459570178 /nfs/dbraw/zinc/57/01/78/459570178.db2.gz QORPBQYOJVPDKI-NSHDSACASA-N 0 0 336.779 3.213 10 5 EGBERN CCC[C@H](C)C(=O)NCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596240217 459572126 /nfs/dbraw/zinc/57/21/26/459572126.db2.gz UNAMTOJWLLFIIU-JTQLQIEISA-N 0 0 343.811 3.221 10 5 EGBERN COc1cc(N2CCC[C@@](CO)(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596248230 459574160 /nfs/dbraw/zinc/57/41/60/459574160.db2.gz UQSIOJFQMZANOT-MRXNPFEDSA-N 0 0 342.823 3.492 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ccn1Cc1csc(C2CC2)n1 ZINC000592357563 459579229 /nfs/dbraw/zinc/57/92/29/459579229.db2.gz ZTKKUYZCQURVIP-UHFFFAOYSA-N 0 0 327.365 3.292 10 5 EGBERN COc1cc(CN2C(=O)CC(C3CCCC3)CC2=O)ccc1[N+](=O)[O-] ZINC000596307406 459590899 /nfs/dbraw/zinc/59/08/99/459590899.db2.gz MHKIUCLURDHBDS-UHFFFAOYSA-N 0 0 346.383 3.059 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000562587868 459594183 /nfs/dbraw/zinc/59/41/83/459594183.db2.gz IVHJTZXJUMUMER-UHFFFAOYSA-N 0 0 345.374 3.313 10 5 EGBERN COC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000596331274 459598228 /nfs/dbraw/zinc/59/82/28/459598228.db2.gz XTJRGQRZSDKSRQ-ZDUSSCGKSA-N 0 0 348.321 3.467 10 5 EGBERN CCN(Cc1ccccc1C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000583829882 459603461 /nfs/dbraw/zinc/60/34/61/459603461.db2.gz UZPRFZQOQZYKSQ-UHFFFAOYSA-N 0 0 343.383 3.420 10 5 EGBERN COc1cc(CSCCO[C@H]2CC2(F)F)c([N+](=O)[O-])cc1F ZINC000596405140 459626388 /nfs/dbraw/zinc/62/63/88/459626388.db2.gz TUUFKGSXFXCOFH-LBPRGKRZSA-N 0 0 337.319 3.400 10 5 EGBERN CC[C@H](NC(=O)N1C[C@]2(C)COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596454830 459641683 /nfs/dbraw/zinc/64/16/83/459641683.db2.gz PFCRYCQTBWOUAV-RYQLBKOJSA-N 0 0 347.415 3.114 10 5 EGBERN O=[N+]([O-])c1cc(N2CCC[C@@](O)(C3CC3)C2)ccc1C(F)(F)F ZINC000596462913 459644919 /nfs/dbraw/zinc/64/49/19/459644919.db2.gz MKKCPLOKAOTTLI-AWEZNQCLSA-N 0 0 330.306 3.355 10 5 EGBERN Cc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596469427 459646602 /nfs/dbraw/zinc/64/66/02/459646602.db2.gz LXUONNZEYUBEQQ-UWVGGRQHSA-N 0 0 343.221 3.119 10 5 EGBERN Cc1cccc(C[C@@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000527500431 459649109 /nfs/dbraw/zinc/64/91/09/459649109.db2.gz LAXLLIQOIKSCKS-HNNXBMFYSA-N 0 0 337.379 3.467 10 5 EGBERN Nc1c(F)c(NC[C@@H]2C[C@H](c3ccccc3)CO2)ccc1[N+](=O)[O-] ZINC000596474413 459649259 /nfs/dbraw/zinc/64/92/59/459649259.db2.gz OLWJZRRETSQDSM-STQMWFEESA-N 0 0 331.347 3.301 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000596485068 459653311 /nfs/dbraw/zinc/65/33/11/459653311.db2.gz ZNQZUSIJMUZXRQ-GOSISDBHSA-N 0 0 344.415 3.296 10 5 EGBERN Cc1cncc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000596498129 459656632 /nfs/dbraw/zinc/65/66/32/459656632.db2.gz JNSPWOYQUXAVIR-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C12CCC2 ZINC000596507538 459661145 /nfs/dbraw/zinc/66/11/45/459661145.db2.gz KPRXHGFSYPHQDH-UONOGXRCSA-N 0 0 347.415 3.232 10 5 EGBERN NC(=O)CC1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCCC1 ZINC000596542015 459670990 /nfs/dbraw/zinc/67/09/90/459670990.db2.gz GPDSOGFMZQBUTG-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN COc1cccc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596554356 459675055 /nfs/dbraw/zinc/67/50/55/459675055.db2.gz JTJLSULZAPFARR-ZJUUUORDSA-N 0 0 334.294 3.150 10 5 EGBERN O=c1[nH]c(N2CC3CC2(c2ccccc2)C3)nc2ccc([N+](=O)[O-])cc21 ZINC000596564620 459678125 /nfs/dbraw/zinc/67/81/25/459678125.db2.gz VNVRINLVOPYLIE-UHFFFAOYSA-N 0 0 348.362 3.369 10 5 EGBERN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@](C)(C(F)F)O1 ZINC000596572017 459681475 /nfs/dbraw/zinc/68/14/75/459681475.db2.gz IZNPQPCRDALSFD-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@](C)(C(F)F)O1 ZINC000596573321 459681872 /nfs/dbraw/zinc/68/18/72/459681872.db2.gz KNGHCDUADUYUQJ-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CC(=O)c1cc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596573062 459682395 /nfs/dbraw/zinc/68/23/95/459682395.db2.gz SFSRBYLUHUABPS-RFAUZJTJSA-N 0 0 328.315 3.046 10 5 EGBERN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596572638 459682588 /nfs/dbraw/zinc/68/25/88/459682588.db2.gz OFERZRJLUQMJFS-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc(OC)c1C(C)C ZINC000543703582 459684876 /nfs/dbraw/zinc/68/48/76/459684876.db2.gz ILKPYWLMMFOGBI-UHFFFAOYSA-N 0 0 345.355 3.383 10 5 EGBERN COc1cc(Cc2noc([C@H](OC)C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000596596608 459691504 /nfs/dbraw/zinc/69/15/04/459691504.db2.gz RGPUJQXMHFLOMP-MRXNPFEDSA-N 0 0 347.371 3.455 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CCc3ccccc3Cl)no2)n1 ZINC000596613992 459700094 /nfs/dbraw/zinc/70/00/94/459700094.db2.gz KNMYYDAVVZYTSY-UHFFFAOYSA-N 0 0 347.762 3.300 10 5 EGBERN Cc1nc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)[nH]c1C ZINC000596620998 459701387 /nfs/dbraw/zinc/70/13/87/459701387.db2.gz JPEKMJBCDQEIAZ-UHFFFAOYSA-N 0 0 340.343 3.226 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000596620741 459701746 /nfs/dbraw/zinc/70/17/46/459701746.db2.gz PYPITDCSMYMPHW-JKSUJKDBSA-N 0 0 326.352 3.272 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2cccc(CO[C@H]3CCOC3)c2)c1 ZINC000596647525 459713905 /nfs/dbraw/zinc/71/39/05/459713905.db2.gz OHAXVBLSJYMULG-SFHVURJKSA-N 0 0 343.379 3.102 10 5 EGBERN Cc1ccncc1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596727763 459743027 /nfs/dbraw/zinc/74/30/27/459743027.db2.gz JGNDFUMFUGAKSI-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000596788746 459763020 /nfs/dbraw/zinc/76/30/20/459763020.db2.gz WOFAIAZXBPZANT-SUMWQHHRSA-N 0 0 343.383 3.455 10 5 EGBERN CSc1cccnc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593084627 459768355 /nfs/dbraw/zinc/76/83/55/459768355.db2.gz LQMOCIYWZCPCFM-UHFFFAOYSA-N 0 0 331.397 3.377 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000596823929 459771436 /nfs/dbraw/zinc/77/14/36/459771436.db2.gz SRYOWYVTGWCHSG-WMLDXEAASA-N 0 0 349.431 3.472 10 5 EGBERN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593094878 459771740 /nfs/dbraw/zinc/77/17/40/459771740.db2.gz IXQTWTMPZOJJIF-CQSZACIVSA-N 0 0 339.395 3.195 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(F)F ZINC000596825698 459772182 /nfs/dbraw/zinc/77/21/82/459772182.db2.gz FYXBQXMZHKVWEI-OAHLLOKOSA-N 0 0 339.342 3.314 10 5 EGBERN COCCC1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596827308 459772410 /nfs/dbraw/zinc/77/24/10/459772410.db2.gz CTALCFBAEVYQLC-UHFFFAOYSA-N 0 0 347.293 3.114 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593123619 459780702 /nfs/dbraw/zinc/78/07/02/459780702.db2.gz PPVSMBKEBIIOKE-AWEZNQCLSA-N 0 0 326.368 3.286 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000593142714 459786266 /nfs/dbraw/zinc/78/62/66/459786266.db2.gz XODDAOJQNUUCSX-KBPBESRZSA-N 0 0 346.383 3.455 10 5 EGBERN CSc1cccnc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000593152666 459790106 /nfs/dbraw/zinc/79/01/06/459790106.db2.gz TTWKXBLMEHJNFU-UHFFFAOYSA-N 0 0 331.397 3.026 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593182653 459799707 /nfs/dbraw/zinc/79/97/07/459799707.db2.gz ZDTYOUYEEBGSOJ-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN CC[C@H](OCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593248405 459819654 /nfs/dbraw/zinc/81/96/54/459819654.db2.gz BDTTYAHKJISBTE-KRWDZBQOSA-N 0 0 328.368 3.493 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593278807 459827582 /nfs/dbraw/zinc/82/75/82/459827582.db2.gz AGQPYXJXEYBBPZ-OAHLLOKOSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593280491 459827946 /nfs/dbraw/zinc/82/79/46/459827946.db2.gz JAVNDEJEGBCGJT-QGZVFWFLSA-N 0 0 344.367 3.276 10 5 EGBERN CCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593297059 459832781 /nfs/dbraw/zinc/83/27/81/459832781.db2.gz WBAATXFEVPMJCK-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN COC(C)(C)C[C@@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101145 459837491 /nfs/dbraw/zinc/83/74/91/459837491.db2.gz IXBMUIHKYACUJB-MRVPVSSYSA-N 0 0 344.799 3.156 10 5 EGBERN CC[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105882 459837545 /nfs/dbraw/zinc/83/75/45/459837545.db2.gz YZXUZZYJWHBQSS-VIFPVBQESA-N 0 0 326.784 3.484 10 5 EGBERN COc1cccc(C(=O)N2CCOc3c(C)cc(C)cc32)c1[N+](=O)[O-] ZINC000593315105 459838587 /nfs/dbraw/zinc/83/85/87/459838587.db2.gz VYSABBDAFHCZKS-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000593315056 459838860 /nfs/dbraw/zinc/83/88/60/459838860.db2.gz UMVUOPCDXOCNAF-UHFFFAOYSA-N 0 0 344.342 3.319 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593359213 459861185 /nfs/dbraw/zinc/86/11/85/459861185.db2.gz LVJUNGRKDKLLSR-JTQLQIEISA-N 0 0 342.417 3.157 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC2(F)F)C1 ZINC000593358848 459861510 /nfs/dbraw/zinc/86/15/10/459861510.db2.gz MCVUFVKKXSFEHA-ZDUSSCGKSA-N 0 0 330.718 3.048 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(COC)ccn1 ZINC000593368665 459867762 /nfs/dbraw/zinc/86/77/62/459867762.db2.gz FRPRUMIYBAOXEO-HNNXBMFYSA-N 0 0 343.383 3.344 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](O)C(F)(F)C3)o2)cc1 ZINC000597188536 459868237 /nfs/dbraw/zinc/86/82/37/459868237.db2.gz ULSJFGPSWCWOOY-HNNXBMFYSA-N 0 0 338.310 3.057 10 5 EGBERN CC[C@H](NC(=O)N(CC)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593369364 459869065 /nfs/dbraw/zinc/86/90/65/459869065.db2.gz BMIUTWWJAALQNN-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586777890 459870183 /nfs/dbraw/zinc/87/01/83/459870183.db2.gz ZXWFFKSRRPKCRK-UFBFGSQYSA-N 0 0 338.713 3.400 10 5 EGBERN CC1(C)[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(F)F ZINC000598341001 459871971 /nfs/dbraw/zinc/87/19/71/459871971.db2.gz NLNRXOWNZHHNIE-ZDUSSCGKSA-N 0 0 339.342 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598348067 459873837 /nfs/dbraw/zinc/87/38/37/459873837.db2.gz IIXGOOALOCTXRI-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN CC[C@H](NC(=O)N(C)CC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000602270020 459880641 /nfs/dbraw/zinc/88/06/41/459880641.db2.gz QVAZJYQYPMFLMN-HNNXBMFYSA-N 0 0 337.420 3.238 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(C2CCC2)CC1 ZINC000593405460 459880897 /nfs/dbraw/zinc/88/08/97/459880897.db2.gz RQRDKSWTSYBWEG-UHFFFAOYSA-N 0 0 342.399 3.251 10 5 EGBERN C[C@H](NC(=O)C1CCC(C(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593410887 459881845 /nfs/dbraw/zinc/88/18/45/459881845.db2.gz GNTZMBOQWOHCLH-OPFPJEHXSA-N 0 0 334.416 3.349 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598379018 459883228 /nfs/dbraw/zinc/88/32/28/459883228.db2.gz NCZBXMDOLQURGM-CQSZACIVSA-N 0 0 345.424 3.316 10 5 EGBERN CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Nc1ccccc1 ZINC000587100846 459891610 /nfs/dbraw/zinc/89/16/10/459891610.db2.gz BKVXXTDMZUMBHX-KRWDZBQOSA-N 0 0 344.415 3.218 10 5 EGBERN CCCN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602323812 459894726 /nfs/dbraw/zinc/89/47/26/459894726.db2.gz ADVUKCCDQQUVGY-DLBZAZTESA-N 0 0 332.400 3.401 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@H](C)O ZINC000597249607 459894955 /nfs/dbraw/zinc/89/49/55/459894955.db2.gz WCCSGOMPCUZYTJ-SCLBCKFNSA-N 0 0 330.384 3.205 10 5 EGBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C(F)(F)F)O1 ZINC000593465422 459897115 /nfs/dbraw/zinc/89/71/15/459897115.db2.gz PAYXYDUPBAXVTP-OTYXRUKQSA-N 0 0 341.289 3.299 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982122 459898191 /nfs/dbraw/zinc/89/81/91/459898191.db2.gz BMGHHYXAPHTTNV-UONOGXRCSA-N 0 0 341.411 3.360 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000598438787 459898721 /nfs/dbraw/zinc/89/87/21/459898721.db2.gz BSAFATPACZXAPM-CYBMUJFWSA-N 0 0 334.416 3.479 10 5 EGBERN COCc1ccc(Sc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000587990529 459898915 /nfs/dbraw/zinc/89/89/15/459898915.db2.gz XELBRJQIUJHYMN-UHFFFAOYSA-N 0 0 348.380 3.382 10 5 EGBERN CSc1cc(C)ccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587996181 459900110 /nfs/dbraw/zinc/90/01/10/459900110.db2.gz ZEVPEMMOSLNXQO-UHFFFAOYSA-N 0 0 333.413 3.312 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000597277367 459902556 /nfs/dbraw/zinc/90/25/56/459902556.db2.gz ZLDBWNVSKZLBIF-ZDUSSCGKSA-N 0 0 328.372 3.030 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000598452762 459902594 /nfs/dbraw/zinc/90/25/94/459902594.db2.gz BWQYQCFMISZQPM-GJZGRUSLSA-N 0 0 334.416 3.095 10 5 EGBERN CCC(CC)[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000588013275 459902997 /nfs/dbraw/zinc/90/29/97/459902997.db2.gz LIJVTDWPMOVRLV-CJNGLKHVSA-N 0 0 337.420 3.065 10 5 EGBERN CC(C)(C)OC1CC(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588033786 459904163 /nfs/dbraw/zinc/90/41/63/459904163.db2.gz ARBRSOPZXJGODT-UHFFFAOYSA-N 0 0 337.420 3.065 10 5 EGBERN CCN(c1ncc([N+](=O)[O-])c(C)c1Br)[C@@H]1CCCOC1 ZINC000593496637 459907007 /nfs/dbraw/zinc/90/70/07/459907007.db2.gz USGBHNJOCCNILU-SNVBAGLBSA-N 0 0 344.209 3.066 10 5 EGBERN CNc1ccc(C(=O)N(C)C[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000598472139 459907372 /nfs/dbraw/zinc/90/73/72/459907372.db2.gz WLSUMXZABBBRQH-OAHLLOKOSA-N 0 0 339.395 3.439 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@]2(CC2(F)F)C1 ZINC000593521159 459914195 /nfs/dbraw/zinc/91/41/95/459914195.db2.gz LNPVVSGMSNPUDV-OAHLLOKOSA-N 0 0 335.310 3.387 10 5 EGBERN COc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])cc1OC ZINC000602400851 459915979 /nfs/dbraw/zinc/91/59/79/459915979.db2.gz NTJLIOUFJGBHEO-GTNSWQLSSA-N 0 0 334.372 3.017 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609166862 459917873 /nfs/dbraw/zinc/91/78/73/459917873.db2.gz JFLMQDLYVIBSAI-KBPBESRZSA-N 0 0 328.372 3.083 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598507760 459925829 /nfs/dbraw/zinc/92/58/29/459925829.db2.gz NXAAWGYDSBOCOY-MFKMUULPSA-N 0 0 346.305 3.085 10 5 EGBERN CCc1c[nH]c(=O)c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000597352266 459926153 /nfs/dbraw/zinc/92/61/53/459926153.db2.gz XYNCWNCVMKWNIY-HNNXBMFYSA-N 0 0 329.356 3.139 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598571362 459943201 /nfs/dbraw/zinc/94/32/01/459943201.db2.gz JFKVVGOGPUGQAI-SFHVURJKSA-N 0 0 337.379 3.286 10 5 EGBERN O=C(Cc1cc(C2CC2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597410113 459943848 /nfs/dbraw/zinc/94/38/48/459943848.db2.gz JBOYARNSKDYWPO-UHFFFAOYSA-N 0 0 341.367 3.194 10 5 EGBERN Cc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575409440 459970497 /nfs/dbraw/zinc/97/04/97/459970497.db2.gz LQTASJQNKRIOJR-BETUJISGSA-N 0 0 349.431 3.381 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(CC2CC2)C1 ZINC000598653539 459979150 /nfs/dbraw/zinc/97/91/50/459979150.db2.gz XKWZMHSPQDGKHD-UHFFFAOYSA-N 0 0 341.314 3.460 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000609543457 459979456 /nfs/dbraw/zinc/97/94/56/459979456.db2.gz LTTCFZBVCQZRBV-SJCJKPOMSA-N 0 0 346.408 3.115 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000593792197 459988034 /nfs/dbraw/zinc/98/80/34/459988034.db2.gz KVFZJKNIGWMHPH-QGZVFWFLSA-N 0 0 343.383 3.011 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588925314 460006381 /nfs/dbraw/zinc/00/63/81/460006381.db2.gz ABVYQVKQDHQDGB-MLCYQJTMSA-N 0 0 346.333 3.465 10 5 EGBERN CC(C)C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000588937019 460008868 /nfs/dbraw/zinc/00/88/68/460008868.db2.gz NWBVNBDRUMNCHT-LLVKDONJSA-N 0 0 326.343 3.310 10 5 EGBERN CCc1cc(NC(=O)c2ccn(C)c2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000588956953 460009902 /nfs/dbraw/zinc/00/99/02/460009902.db2.gz YSTDKPPWOWCIET-UHFFFAOYSA-N 0 0 338.367 3.027 10 5 EGBERN O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000593884593 460010450 /nfs/dbraw/zinc/01/04/50/460010450.db2.gz SMHKGSPLWYRDJN-UHFFFAOYSA-N 0 0 339.273 3.361 10 5 EGBERN Cc1c(C(=O)NCC[C@@H]2CCc3ccccc3N2)cccc1[N+](=O)[O-] ZINC000593917807 460016836 /nfs/dbraw/zinc/01/68/36/460016836.db2.gz XVCFTTRPOSZUQX-HNNXBMFYSA-N 0 0 339.395 3.450 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000597690892 460029011 /nfs/dbraw/zinc/02/90/11/460029011.db2.gz GCTZIFUJFKOECW-CQSZACIVSA-N 0 0 340.383 3.051 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598781864 460032651 /nfs/dbraw/zinc/03/26/51/460032651.db2.gz KRGKZRGVIXSFBV-QMMMGPOBSA-N 0 0 338.232 3.389 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728390 460041253 /nfs/dbraw/zinc/04/12/53/460041253.db2.gz VHSNDYBLUCSKPP-QGZVFWFLSA-N 0 0 338.363 3.391 10 5 EGBERN Cc1cccc(COCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000598804784 460041439 /nfs/dbraw/zinc/04/14/39/460041439.db2.gz ZVOGIYHQQJRHQP-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)n1 ZINC000598821179 460051805 /nfs/dbraw/zinc/05/18/05/460051805.db2.gz LOPMZBVXHYWUQF-CYBMUJFWSA-N 0 0 328.372 3.030 10 5 EGBERN Cc1cc(NC(=O)C[C@H](C)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827464 460053767 /nfs/dbraw/zinc/05/37/67/460053767.db2.gz HTUOKMQIZXDRPC-APPDUMDISA-N 0 0 343.383 3.017 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCOC(C)(C)C ZINC000610130880 460067610 /nfs/dbraw/zinc/06/76/10/460067610.db2.gz NGSSXUUNLKJWJD-UHFFFAOYSA-N 0 0 328.340 3.138 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594053971 460075106 /nfs/dbraw/zinc/07/51/06/460075106.db2.gz FUBIBPVTJAUURA-HZPDHXFCSA-N 0 0 349.387 3.073 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000618585258 460075593 /nfs/dbraw/zinc/07/55/93/460075593.db2.gz VMTSDEIFYAAGQS-QWHCGFSZSA-N 0 0 330.388 3.114 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CC)C2CC2)cc1OC ZINC000598872462 460077666 /nfs/dbraw/zinc/07/76/66/460077666.db2.gz TVPVPGMTRZFSKS-QGZVFWFLSA-N 0 0 336.388 3.311 10 5 EGBERN C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597865356 460085140 /nfs/dbraw/zinc/08/51/40/460085140.db2.gz RWRQNTACDUQRQJ-STQMWFEESA-N 0 0 345.424 3.390 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000598939418 460095285 /nfs/dbraw/zinc/09/52/85/460095285.db2.gz HNLLJCUAUHKJTN-FZKQIMNGSA-N 0 0 339.395 3.267 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000598939423 460096483 /nfs/dbraw/zinc/09/64/83/460096483.db2.gz HNLLJCUAUHKJTN-UGSOOPFHSA-N 0 0 339.395 3.267 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(F)cc2C)c1 ZINC000589512836 460097114 /nfs/dbraw/zinc/09/71/14/460097114.db2.gz LEBUIMCFLKPAAO-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000589518504 460099011 /nfs/dbraw/zinc/09/90/11/460099011.db2.gz RVXLNRRJRUCMTK-MRXNPFEDSA-N 0 0 341.367 3.114 10 5 EGBERN COC(=O)c1cc(N2CCNc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000589559486 460103361 /nfs/dbraw/zinc/10/33/61/460103361.db2.gz QYWZGFVJRGIHRD-UHFFFAOYSA-N 0 0 341.367 3.122 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000597925704 460114368 /nfs/dbraw/zinc/11/43/68/460114368.db2.gz PXFMGQYZUYLIJE-GOSISDBHSA-N 0 0 348.399 3.023 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598998353 460122959 /nfs/dbraw/zinc/12/29/59/460122959.db2.gz PWNXEYHQZZCVCP-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599000567 460123054 /nfs/dbraw/zinc/12/30/54/460123054.db2.gz MWUSOFMFQURVHA-UONOGXRCSA-N 0 0 335.404 3.080 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599001932 460124674 /nfs/dbraw/zinc/12/46/74/460124674.db2.gz ZJJATDMNSAXAHG-YTORKDELSA-N 0 0 335.404 3.075 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnn3c2C[C@H](C)CC3)n1 ZINC000576399022 460132104 /nfs/dbraw/zinc/13/21/04/460132104.db2.gz FIEVGIJYUCGXQC-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164755 460135240 /nfs/dbraw/zinc/13/52/40/460135240.db2.gz LMLDSIVWFWEWIF-DGCLKSJQSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594186380 460139866 /nfs/dbraw/zinc/13/98/66/460139866.db2.gz OPWSOWBQUVOAGC-GXTWGEPZSA-N 0 0 338.429 3.394 10 5 EGBERN COCCCn1ccc(Nc2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC000599049692 460140964 /nfs/dbraw/zinc/14/09/64/460140964.db2.gz ZHEUIYSYEYYLPV-UHFFFAOYSA-N 0 0 327.344 3.120 10 5 EGBERN CSc1cccc(C(=O)N2CCC[C@@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000614449438 460143992 /nfs/dbraw/zinc/14/39/92/460143992.db2.gz RQSIAFWIMWVEEI-SECBINFHSA-N 0 0 346.355 3.161 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598014689 460144575 /nfs/dbraw/zinc/14/45/75/460144575.db2.gz LORQHXDQJLQEHZ-UWVGGRQHSA-N 0 0 337.426 3.409 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1OCCc2ccccc21 ZINC000589863286 460152200 /nfs/dbraw/zinc/15/22/00/460152200.db2.gz JISRTDLCMOSFHZ-GOSISDBHSA-N 0 0 335.363 3.291 10 5 EGBERN CC(C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccnn1C ZINC000589865139 460153701 /nfs/dbraw/zinc/15/37/01/460153701.db2.gz YKONEULTIRJIBI-CQSZACIVSA-N 0 0 339.399 3.150 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599084190 460156791 /nfs/dbraw/zinc/15/67/91/460156791.db2.gz PTVROSNIDLIBDQ-XOKHGSTOSA-N 0 0 342.782 3.450 10 5 EGBERN C[S@](=O)[C@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599100366 460161677 /nfs/dbraw/zinc/16/16/77/460161677.db2.gz CJQKGYOFFDEQNN-XCMOZONUSA-N 0 0 333.413 3.245 10 5 EGBERN CC1(C)C[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C(C)(C)O1 ZINC000599113083 460164160 /nfs/dbraw/zinc/16/41/60/460164160.db2.gz ZJFIOKTVBUITAD-SNVBAGLBSA-N 0 0 332.360 3.288 10 5 EGBERN O=C(c1cc(NCC[C@@H]2CCCOC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599116342 460164697 /nfs/dbraw/zinc/16/46/97/460164697.db2.gz HDAHZQSMOJUFRO-AWEZNQCLSA-N 0 0 347.415 3.059 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000599118191 460165937 /nfs/dbraw/zinc/16/59/37/460165937.db2.gz SEQZTVODZKRKCT-SECBINFHSA-N 0 0 335.673 3.055 10 5 EGBERN COC(=O)c1cc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000599118743 460166439 /nfs/dbraw/zinc/16/64/39/460166439.db2.gz OXADDBSJMBLHNT-QWRGUYRKSA-N 0 0 342.342 3.417 10 5 EGBERN Cc1cccc2c1C[C@H](Nc1ncnc3sc([N+](=O)[O-])cc31)CO2 ZINC000599122516 460166987 /nfs/dbraw/zinc/16/69/87/460166987.db2.gz HJYYFJDXJGLCHG-JTQLQIEISA-N 0 0 342.380 3.324 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000599125247 460168258 /nfs/dbraw/zinc/16/82/58/460168258.db2.gz AQKXPJGEWHFCLK-JGPRNRPPSA-N 0 0 327.427 3.137 10 5 EGBERN COc1ccc(CNC(=O)C2(C)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000599125628 460169116 /nfs/dbraw/zinc/16/91/16/460169116.db2.gz GISTYAYDRSLYBX-UHFFFAOYSA-N 0 0 342.342 3.435 10 5 EGBERN COc1ccc(CN2CC[C@H]2CNc2ccsc2[N+](=O)[O-])cc1 ZINC000599138807 460172475 /nfs/dbraw/zinc/17/24/75/460172475.db2.gz GIKTUMZDNKVBOZ-ZDUSSCGKSA-N 0 0 333.413 3.351 10 5 EGBERN CC[C@@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000599143888 460174155 /nfs/dbraw/zinc/17/41/55/460174155.db2.gz YIVDDZSQNHXZOI-HNNXBMFYSA-N 0 0 329.400 3.493 10 5 EGBERN Nc1c(C(=O)N[C@@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610522412 460175272 /nfs/dbraw/zinc/17/52/72/460175272.db2.gz IKZGJTNLVDHBSA-HNNXBMFYSA-N 0 0 325.368 3.448 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1ccncc1 ZINC000610526438 460176723 /nfs/dbraw/zinc/17/67/23/460176723.db2.gz MVNGSOAVHYGNMH-CHWSQXEVSA-N 0 0 345.424 3.390 10 5 EGBERN Cc1cccc([C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C(C)C)c1 ZINC000599173218 460186542 /nfs/dbraw/zinc/18/65/42/460186542.db2.gz XYXOZNSAMJNFQW-KRWDZBQOSA-N 0 0 325.372 3.177 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC2(C)CC=CC2)cc1[N+](=O)[O-] ZINC000594317115 460186910 /nfs/dbraw/zinc/18/69/10/460186910.db2.gz XWMYJBCZUXBUGU-UHFFFAOYSA-N 0 0 345.399 3.056 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(Nc3ncc([N+](=O)[O-])cc3F)cc21 ZINC000599181466 460190465 /nfs/dbraw/zinc/19/04/65/460190465.db2.gz CDVMMYGVOHFKPM-SECBINFHSA-N 0 0 330.319 3.343 10 5 EGBERN COc1ccc([C@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)cc1F ZINC000599192186 460194494 /nfs/dbraw/zinc/19/44/94/460194494.db2.gz DHCGLQWARJWAJE-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN C[C@H](c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599194044 460194506 /nfs/dbraw/zinc/19/45/06/460194506.db2.gz NZXBUFGONYZRJV-NSHDSACASA-N 0 0 339.355 3.246 10 5 EGBERN C[C@H](c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1)c1cnccn1 ZINC000599194052 460194738 /nfs/dbraw/zinc/19/47/38/460194738.db2.gz OCVAYJWEJVZEHI-LEWSCRJBSA-N 0 0 337.339 3.191 10 5 EGBERN C[C@@H](c1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1)c1cnccn1 ZINC000599194958 460195959 /nfs/dbraw/zinc/19/59/59/460195959.db2.gz NPIXIDHFPCFETM-VHSXEESVSA-N 0 0 343.318 3.211 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000599202451 460198363 /nfs/dbraw/zinc/19/83/63/460198363.db2.gz SWOAEQAABMFYFG-HSBHDXMMSA-N 0 0 333.388 3.349 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000599202496 460198552 /nfs/dbraw/zinc/19/85/52/460198552.db2.gz MBSGMLMJUIMEGZ-CQSZACIVSA-N 0 0 346.774 3.232 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000594375645 460199286 /nfs/dbraw/zinc/19/92/86/460199286.db2.gz GEZNMFACTPLOFA-AWEZNQCLSA-N 0 0 338.429 3.048 10 5 EGBERN Cc1cc(N[C@@H]2CCN(C3CCC3)C2=O)c2cccc([N+](=O)[O-])c2n1 ZINC000599206495 460199638 /nfs/dbraw/zinc/19/96/38/460199638.db2.gz ONMGLIMKCOZIMF-CQSZACIVSA-N 0 0 340.383 3.017 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594410563 460209876 /nfs/dbraw/zinc/20/98/76/460209876.db2.gz JMURGPSZFQSGBS-DOTOQJQBSA-N 0 0 348.399 3.022 10 5 EGBERN Cc1c(CN(C)c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)cnn1C ZINC000576784831 460212032 /nfs/dbraw/zinc/21/20/32/460212032.db2.gz ZYNQMMUNMWTHPG-UHFFFAOYSA-N 0 0 332.404 3.450 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000622197084 460220201 /nfs/dbraw/zinc/22/02/01/460220201.db2.gz XQUXQBQKKSZTOP-LBPRGKRZSA-N 0 0 342.345 3.456 10 5 EGBERN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccncc1 ZINC000610770253 460234103 /nfs/dbraw/zinc/23/41/03/460234103.db2.gz LARDRLHBMHTXQQ-SECBINFHSA-N 0 0 337.177 3.363 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000610917112 460260515 /nfs/dbraw/zinc/26/05/15/460260515.db2.gz FOTNHZRETFADIC-LLVKDONJSA-N 0 0 346.387 3.331 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccn3)CC2)c1 ZINC000611085565 460287493 /nfs/dbraw/zinc/28/74/93/460287493.db2.gz HGUDIDRKJBJQKG-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(Cl)o1 ZINC000611144935 460295831 /nfs/dbraw/zinc/29/58/31/460295831.db2.gz SAXUEUJELSNYHO-UHFFFAOYSA-N 0 0 333.731 3.181 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C(F)F)C1 ZINC000611180215 460302431 /nfs/dbraw/zinc/30/24/31/460302431.db2.gz UTDIJBOHSLJOTJ-IUCAKERBSA-N 0 0 347.749 3.162 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599823740 460342530 /nfs/dbraw/zinc/34/25/30/460342530.db2.gz FSKKXICNSYIFKY-LLVKDONJSA-N 0 0 339.189 3.420 10 5 EGBERN CCOC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000599835211 460344645 /nfs/dbraw/zinc/34/46/45/460344645.db2.gz KKVLVBVLFGJXRG-HNNXBMFYSA-N 0 0 346.387 3.326 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833622 460344660 /nfs/dbraw/zinc/34/46/60/460344660.db2.gz VRHSGDPDHASVLH-LBPRGKRZSA-N 0 0 346.387 3.014 10 5 EGBERN O=C(NCCOCC1CCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833721 460344742 /nfs/dbraw/zinc/34/47/42/460344742.db2.gz XIZXPSPOXKJGST-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599834092 460344774 /nfs/dbraw/zinc/34/47/74/460344774.db2.gz FOXZZFZPLNHUFP-NWDGAFQWSA-N 0 0 344.371 3.222 10 5 EGBERN CCN1C[C@@H](CN(C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933567 460361319 /nfs/dbraw/zinc/36/13/19/460361319.db2.gz QIOPKSUJLMUBCF-CQSZACIVSA-N 0 0 347.440 3.376 10 5 EGBERN C[C@@H](OC1CCCCCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484943 460374535 /nfs/dbraw/zinc/37/45/35/460374535.db2.gz RACAVKIXZLOREK-CYBMUJFWSA-N 0 0 347.415 3.002 10 5 EGBERN CSc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccn1 ZINC000619530159 460375890 /nfs/dbraw/zinc/37/58/90/460375890.db2.gz CSDKTGCDWIXRGN-UHFFFAOYSA-N 0 0 333.369 3.038 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000619578394 460388075 /nfs/dbraw/zinc/38/80/75/460388075.db2.gz JVUMQAZJILQCRY-KURKYZTESA-N 0 0 346.427 3.449 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3-c3ccccc32)n1 ZINC000611538324 460392563 /nfs/dbraw/zinc/39/25/63/460392563.db2.gz FIKXKLUCVOJXCH-UHFFFAOYSA-N 0 0 334.335 3.156 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000600170374 460419341 /nfs/dbraw/zinc/41/93/41/460419341.db2.gz SBLHEYCAZLXEGL-FRRDWIJNSA-N 0 0 348.399 3.168 10 5 EGBERN Cn1cc([C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cn1 ZINC000611706552 460434104 /nfs/dbraw/zinc/43/41/04/460434104.db2.gz FISITHKVSCEHMU-HNNXBMFYSA-N 0 0 340.387 3.471 10 5 EGBERN COC[C@]1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600212816 460442935 /nfs/dbraw/zinc/44/29/35/460442935.db2.gz IAGIFAQQMJSSIT-SFHVURJKSA-N 0 0 346.383 3.092 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])C1 ZINC000604542357 460443975 /nfs/dbraw/zinc/44/39/75/460443975.db2.gz OPUGOSLZMLCTCA-NSHDSACASA-N 0 0 330.344 3.071 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000619810225 460447929 /nfs/dbraw/zinc/44/79/29/460447929.db2.gz DXMHUFHXTRDAEU-FZMZJTMJSA-N 0 0 333.367 3.058 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000604562522 460449216 /nfs/dbraw/zinc/44/92/16/460449216.db2.gz WVWKLTZDPKKCDD-LBPRGKRZSA-N 0 0 346.305 3.087 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000611763045 460454436 /nfs/dbraw/zinc/45/44/36/460454436.db2.gz MINGRHCIEXTQKV-KBPBESRZSA-N 0 0 348.399 3.024 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000600268951 460461307 /nfs/dbraw/zinc/46/13/07/460461307.db2.gz ZAVPGVCVRSDOEK-UHFFFAOYSA-N 0 0 347.415 3.199 10 5 EGBERN CCOc1ccc([C@H](C)Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000616176796 460491352 /nfs/dbraw/zinc/49/13/52/460491352.db2.gz MJOPAQBFYFFRIM-NSHDSACASA-N 0 0 345.355 3.348 10 5 EGBERN Cn1c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2(C)C)ccc1[N+](=O)[O-] ZINC000600432886 460494453 /nfs/dbraw/zinc/49/44/53/460494453.db2.gz ZACBAPOOXHXBJM-CQSZACIVSA-N 0 0 345.374 3.481 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600445184 460496699 /nfs/dbraw/zinc/49/66/99/460496699.db2.gz ZTSGRKVNLJHSQY-NMSKTSORSA-N 0 0 346.305 3.155 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(C)c2)C(C)C)n1 ZINC000600474654 460500173 /nfs/dbraw/zinc/50/01/73/460500173.db2.gz OKVRCMXCZFPOCS-HNNXBMFYSA-N 0 0 330.388 3.247 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000600478837 460503394 /nfs/dbraw/zinc/50/33/94/460503394.db2.gz RZBXKXMJFJWJET-CUOATXAZSA-N 0 0 334.784 3.378 10 5 EGBERN CC(C)(C(=O)NCC(=O)C1(C)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600486138 460503977 /nfs/dbraw/zinc/50/39/77/460503977.db2.gz HTXJPMFKPHEWIK-UHFFFAOYSA-N 0 0 332.400 3.138 10 5 EGBERN CC(C)(C)c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000600517865 460510381 /nfs/dbraw/zinc/51/03/81/460510381.db2.gz FAPPQISFSFXLBT-UHFFFAOYSA-N 0 0 339.348 3.389 10 5 EGBERN CCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600604622 460542677 /nfs/dbraw/zinc/54/26/77/460542677.db2.gz HVYBZBWDHKPJND-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nn1CC ZINC000600607775 460543869 /nfs/dbraw/zinc/54/38/69/460543869.db2.gz LTJJGUMVYVLUSX-UHFFFAOYSA-N 0 0 334.401 3.484 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000601182644 460742640 /nfs/dbraw/zinc/74/26/40/460742640.db2.gz XAQITHFZXRAGAA-OCAPTIKFSA-N 0 0 336.314 3.105 10 5 EGBERN Cc1cc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000601208414 460750574 /nfs/dbraw/zinc/75/05/74/460750574.db2.gz BVNPXZZGFANLSB-LBPRGKRZSA-N 0 0 341.289 3.463 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC(SC)CC2)ccc1[N+](=O)[O-] ZINC000601206910 460750956 /nfs/dbraw/zinc/75/09/56/460750956.db2.gz MFZNCULRLMSHTH-UHFFFAOYSA-N 0 0 344.820 3.367 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(COCC(F)(F)F)no3)c2c1 ZINC000612874006 460760216 /nfs/dbraw/zinc/76/02/16/460760216.db2.gz BYVJGOMGLCBMSE-UHFFFAOYSA-N 0 0 342.233 3.205 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CNc3ccccc32)C1 ZINC000601245347 460763259 /nfs/dbraw/zinc/76/32/59/460763259.db2.gz GZGGCQCRCFJPKT-GOSISDBHSA-N 0 0 338.367 3.196 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601249351 460764715 /nfs/dbraw/zinc/76/47/15/460764715.db2.gz BRKUVGJTNDPQPI-AAEUAGOBSA-N 0 0 334.401 3.359 10 5 EGBERN C[C@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC[C@@H]1O ZINC000601277690 460773597 /nfs/dbraw/zinc/77/35/97/460773597.db2.gz YJYQTHDMZIAFLB-FUHWJXTLSA-N 0 0 346.427 3.074 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288860 460777566 /nfs/dbraw/zinc/77/75/66/460777566.db2.gz DMFXPFGJYFQERR-JKSUJKDBSA-N 0 0 326.400 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(C[C@@H]4CCCO4)no3)CCC2)cc1 ZINC000601370783 460796708 /nfs/dbraw/zinc/79/67/08/460796708.db2.gz XAKCKGUYTCXFCJ-AWEZNQCLSA-N 0 0 329.356 3.169 10 5 EGBERN CC[C@@]1(CO)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601471547 460817850 /nfs/dbraw/zinc/81/78/50/460817850.db2.gz DLRYKXCNSFTUAI-GOSISDBHSA-N 0 0 346.427 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCC2)cc1 ZINC000601500252 460819622 /nfs/dbraw/zinc/81/96/22/460819622.db2.gz SFIPBHGMUKACRK-UHFFFAOYSA-N 0 0 332.381 3.343 10 5 EGBERN Cc1ccncc1CN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601546608 460828945 /nfs/dbraw/zinc/82/89/45/460828945.db2.gz FBAJCHMXLFAKCB-UHFFFAOYSA-N 0 0 339.395 3.379 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2c1C(=O)CC2 ZINC000601557807 460831535 /nfs/dbraw/zinc/83/15/35/460831535.db2.gz DWFCJODEIOOZHT-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C(F)F)CCC1 ZINC000601595463 460841562 /nfs/dbraw/zinc/84/15/62/460841562.db2.gz QJULWXBEVDJSOU-UHFFFAOYSA-N 0 0 337.326 3.170 10 5 EGBERN Cc1cc(NC(=O)C2(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000613195742 460858468 /nfs/dbraw/zinc/85/84/68/460858468.db2.gz SNOAZGITSMHKLI-UHFFFAOYSA-N 0 0 339.273 3.154 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601679556 460866604 /nfs/dbraw/zinc/86/66/04/460866604.db2.gz KRWCWWOPMNPYHG-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000601700421 460875244 /nfs/dbraw/zinc/87/52/44/460875244.db2.gz RLDKGIKFLFURBL-HNNXBMFYSA-N 0 0 330.340 3.420 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601728187 460884836 /nfs/dbraw/zinc/88/48/36/460884836.db2.gz OJLYGYMPGMLWCM-QGZVFWFLSA-N 0 0 338.379 3.185 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(COC)(C2CC2)C1 ZINC000601768574 460893174 /nfs/dbraw/zinc/89/31/74/460893174.db2.gz QCPGZSKBPYXIRD-OAHLLOKOSA-N 0 0 346.427 3.049 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12C[C@H]1CCCC2 ZINC000601775249 460894839 /nfs/dbraw/zinc/89/48/39/460894839.db2.gz OJADPBQWYACHBM-BDJLRTHQSA-N 0 0 338.791 3.466 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601797489 460900784 /nfs/dbraw/zinc/90/07/84/460900784.db2.gz FBEWJZRVAJJYAY-LBPRGKRZSA-N 0 0 342.342 3.016 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000601854209 460926500 /nfs/dbraw/zinc/92/65/00/460926500.db2.gz NGCCOIFOMHHAQQ-MRXNPFEDSA-N 0 0 348.399 3.073 10 5 EGBERN Cc1c(C(=O)NCC2([C@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000601858769 460928543 /nfs/dbraw/zinc/92/85/43/460928543.db2.gz ZAJOWZJOTIBSGC-MRXNPFEDSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601878456 460933650 /nfs/dbraw/zinc/93/36/50/460933650.db2.gz YFDYPSOJQWXJAR-MLHJIOFPSA-N 0 0 344.411 3.162 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000648670798 462220063 /nfs/dbraw/zinc/22/00/63/462220063.db2.gz HXXFANMIFCRNCZ-HRCADAONSA-N 0 0 346.430 3.460 10 5 EGBERN COc1cc(CN(C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1F ZINC000184270967 533784612 /nfs/dbraw/zinc/78/46/12/533784612.db2.gz UVUWZSZTMDZCSP-UHFFFAOYSA-N 0 0 339.392 3.182 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000357996264 536510684 /nfs/dbraw/zinc/51/06/84/536510684.db2.gz UYNKFQVUUKPXFH-LSDHHAIUSA-N 0 0 326.352 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(F)F)CC1CCC1 ZINC000341859697 536950900 /nfs/dbraw/zinc/95/09/00/536950900.db2.gz PZDDNJSHLGQBKZ-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN CC[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000726008205 574522564 /nfs/dbraw/zinc/52/25/64/574522564.db2.gz TVEUEXHAXWYUAT-HNNXBMFYSA-N 0 0 332.356 3.479 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000727433371 574667142 /nfs/dbraw/zinc/66/71/42/574667142.db2.gz VFNDUPNHQCADOI-ALCCZGGFSA-N 0 0 330.344 3.302 10 5 EGBERN Cc1cn2cc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccc2n1 ZINC000727711647 574686853 /nfs/dbraw/zinc/68/68/53/574686853.db2.gz BANQVHYRAWTAGG-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728503212 574755340 /nfs/dbraw/zinc/75/53/40/574755340.db2.gz RYFJBVXDDXVLAJ-HZPDHXFCSA-N 0 0 344.415 3.276 10 5 EGBERN CCCC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000738600208 574853302 /nfs/dbraw/zinc/85/33/02/574853302.db2.gz FPQXBYNDRAFPHC-ZDUSSCGKSA-N 0 0 348.399 3.357 10 5 EGBERN C[C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000730922865 575036059 /nfs/dbraw/zinc/03/60/59/575036059.db2.gz MOKIXBQDEJAEGS-NSHDSACASA-N 0 0 338.360 3.066 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2ccoc2)n1 ZINC000731069579 575049456 /nfs/dbraw/zinc/04/94/56/575049456.db2.gz KTXVCVMXNNZSHL-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN Cc1nc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc2ccccc12 ZINC000731529994 575079486 /nfs/dbraw/zinc/07/94/86/575079486.db2.gz LHISZFBGPROHBP-UHFFFAOYSA-N 0 0 341.298 3.343 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000734118086 575438700 /nfs/dbraw/zinc/43/87/00/575438700.db2.gz RSDOVQDPLFTOHX-SNVBAGLBSA-N 0 0 342.380 3.399 10 5 EGBERN C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000735134261 575603644 /nfs/dbraw/zinc/60/36/44/575603644.db2.gz NWLSLMLLWPYMSW-NSHDSACASA-N 0 0 330.296 3.464 10 5 EGBERN C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)C[C@@H](C)O1 ZINC000735486901 575668560 /nfs/dbraw/zinc/66/85/60/575668560.db2.gz KXGZEFFKGSMHMS-CHWSQXEVSA-N 0 0 328.372 3.347 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492537 575669839 /nfs/dbraw/zinc/66/98/39/575669839.db2.gz IRSLTCADCFYEFX-OAHLLOKOSA-N 0 0 339.823 3.081 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)OCCCc1ccc(F)cc1 ZINC000735606247 575688770 /nfs/dbraw/zinc/68/87/70/575688770.db2.gz RHZXNYTYFBKCQT-UHFFFAOYSA-N 0 0 333.315 3.289 10 5 EGBERN C[C@@H]1CCCCCN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000738226343 576302359 /nfs/dbraw/zinc/30/23/59/576302359.db2.gz XBTIAXQPRMIVAE-CQSZACIVSA-N 0 0 342.399 3.041 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739628136 576435970 /nfs/dbraw/zinc/43/59/70/576435970.db2.gz PMUOMEASNGJOIT-AWEZNQCLSA-N 0 0 330.388 3.126 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc3c(c2)OCCO3)c1 ZINC000741746449 576715920 /nfs/dbraw/zinc/71/59/20/576715920.db2.gz JYYMVJNPCXHRLJ-UHFFFAOYSA-N 0 0 334.303 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc3c(c2)OCCO3)c1 ZINC000744073176 576819925 /nfs/dbraw/zinc/81/99/25/576819925.db2.gz YTUOUEWGLFOXKO-UHFFFAOYSA-N 0 0 329.308 3.031 10 5 EGBERN COc1ccccc1NCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745016746 576838628 /nfs/dbraw/zinc/83/86/28/576838628.db2.gz NKIZRLAFLAGEKF-GFCCVEGCSA-N 0 0 330.340 3.320 10 5 EGBERN C[C@@H](OC(=O)[C@@](C)(O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000745146176 576842177 /nfs/dbraw/zinc/84/21/77/576842177.db2.gz KFIIUJLBVFPRNQ-ACJLOTCBSA-N 0 0 329.352 3.193 10 5 EGBERN O=C(Cn1ncc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107092106 1293060182 /nfs/dbraw/zinc/06/01/82/1293060182.db2.gz VEGHLYDCBZSPQT-UHFFFAOYSA-N 0 0 330.731 3.237 10 5 EGBERN Cc1c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178327212 1294729933 /nfs/dbraw/zinc/72/99/33/1294729933.db2.gz JXZXVIUEVHLUCO-RYUDHWBXSA-N 0 0 333.344 3.074 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000869930229 1295543535 /nfs/dbraw/zinc/54/35/35/1295543535.db2.gz PRMINWSHZYJHSI-BGMSHATGSA-N 0 0 339.775 3.497 10 5 EGBERN COc1cnc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000869974123 1295569388 /nfs/dbraw/zinc/56/93/88/1295569388.db2.gz KRBZLSXXYGGHLG-JTQLQIEISA-N 0 0 334.303 3.364 10 5 EGBERN Cc1csc2nc(CC(=O)OCc3ccc(C)c([N+](=O)[O-])c3)cn12 ZINC000869982974 1295577707 /nfs/dbraw/zinc/57/77/07/1295577707.db2.gz PKMNALOVSYGBDB-UHFFFAOYSA-N 0 0 345.380 3.207 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@]12C[C@H]1CCCC2 ZINC000870538083 1295930644 /nfs/dbraw/zinc/93/06/44/1295930644.db2.gz ZLJYVXJFOCIQFT-MEBBXXQBSA-N 0 0 326.755 3.379 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CCOCC(F)(F)F ZINC000870699852 1296028456 /nfs/dbraw/zinc/02/84/56/1296028456.db2.gz KXFWWCLOBQXJEB-UHFFFAOYSA-N 0 0 335.278 3.224 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000870727070 1296046196 /nfs/dbraw/zinc/04/61/96/1296046196.db2.gz ZSVAJBDESWGWEY-JQWIXIFHSA-N 0 0 326.780 3.196 10 5 EGBERN C[C@H](C(=O)OCc1ccnn1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000870742345 1296057977 /nfs/dbraw/zinc/05/79/77/1296057977.db2.gz YGPKSWXDOCMETR-QMMMGPOBSA-N 0 0 343.261 3.172 10 5 EGBERN C[C@@H](C(=O)OCc1ccnn1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870742890 1296058347 /nfs/dbraw/zinc/05/83/47/1296058347.db2.gz HMEQUNICSWBRAB-SECBINFHSA-N 0 0 325.271 3.033 10 5 EGBERN CC(C)(Cc1ccccc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827535 1296105854 /nfs/dbraw/zinc/10/58/54/1296105854.db2.gz AAZSLDBHUWOASI-UHFFFAOYSA-N 0 0 343.383 3.307 10 5 EGBERN Cc1ccccc1C[C@@H](C)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831109 1296107734 /nfs/dbraw/zinc/10/77/34/1296107734.db2.gz OXVFFVFVTCLNEZ-BZOOQXSSSA-N 0 0 343.383 3.225 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C2CC2)cc1 ZINC000870830930 1296108014 /nfs/dbraw/zinc/10/80/14/1296108014.db2.gz MUUMKDRHEKDBKX-UHFFFAOYSA-N 0 0 327.340 3.229 10 5 EGBERN CCC(CC)(CNC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000871262076 1296301595 /nfs/dbraw/zinc/30/15/95/1296301595.db2.gz VRSXRTHAUYYCQP-UHFFFAOYSA-N 0 0 348.321 3.459 10 5 EGBERN CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(OC)c1OC ZINC000871279027 1296314147 /nfs/dbraw/zinc/31/41/47/1296314147.db2.gz UPNDXVURHDKGMP-CYBMUJFWSA-N 0 0 338.404 3.107 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871303328 1296332877 /nfs/dbraw/zinc/33/28/77/1296332877.db2.gz XBNNHAJZPBRINA-XHDPSFHLSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871332703 1296356221 /nfs/dbraw/zinc/35/62/21/1296356221.db2.gz ZHSKLQNPWHNLKZ-MRXNPFEDSA-N 0 0 336.363 3.298 10 5 EGBERN CO[C@H]1C[C@@H](COc2c(C)cc(Br)cc2[N+](=O)[O-])C1 ZINC000871656361 1296470955 /nfs/dbraw/zinc/47/09/55/1296470955.db2.gz FPHISMQCHRVNDQ-JGZJWPJOSA-N 0 0 330.178 3.470 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC12CCOCC2 ZINC000871583316 1296441594 /nfs/dbraw/zinc/44/15/94/1296441594.db2.gz OPOXXNWRUUVDII-OAHLLOKOSA-N 0 0 346.427 3.457 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OCc1coc(C2CC2)n1 ZINC000871694277 1296483676 /nfs/dbraw/zinc/48/36/76/1296483676.db2.gz JUOOZYGPUMLNAZ-UHFFFAOYSA-N 0 0 340.133 3.197 10 5 EGBERN CCC(C)(C)NC(=O)CSCc1cc([N+](=O)[O-])ccc1OC ZINC000871709863 1296495000 /nfs/dbraw/zinc/49/50/00/1296495000.db2.gz IIFUJTXGDVWUBV-UHFFFAOYSA-N 0 0 326.418 3.141 10 5 EGBERN CCOC1CC2(C[C@@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000871763559 1296524148 /nfs/dbraw/zinc/52/41/48/1296524148.db2.gz KNVCKGWVFUOJFB-IQYSWEBNSA-N 0 0 339.779 3.327 10 5 EGBERN CCOc1cc(COc2cc(CCO)ccc2OC)ccc1[N+](=O)[O-] ZINC000871792005 1296535541 /nfs/dbraw/zinc/53/55/41/1296535541.db2.gz LXZCIYQGADTAKW-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN C/C(=C\c1ccc(Cl)cc1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000255623377 1296554304 /nfs/dbraw/zinc/55/43/04/1296554304.db2.gz KARWBOVZJABTCL-DHZHZOJOSA-N 0 0 335.747 3.091 10 5 EGBERN CNC(=O)C[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069688 1296716760 /nfs/dbraw/zinc/71/67/60/1296716760.db2.gz SEYAMWZTWJULAJ-WFASDCNBSA-N 0 0 345.374 3.262 10 5 EGBERN CNC(=O)C[C@@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069686 1296716873 /nfs/dbraw/zinc/71/68/73/1296716873.db2.gz SEYAMWZTWJULAJ-IUODEOHRSA-N 0 0 345.374 3.262 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000872085018 1296725512 /nfs/dbraw/zinc/72/55/12/1296725512.db2.gz MLSVJPPTUBFQQX-GBIKHYSHSA-N 0 0 333.417 3.265 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000872753385 1297091929 /nfs/dbraw/zinc/09/19/29/1297091929.db2.gz WGNGATRXLXKVDB-OTYXRUKQSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000872754218 1297094087 /nfs/dbraw/zinc/09/40/87/1297094087.db2.gz YIJIWVNOXOBSHJ-OTYXRUKQSA-N 0 0 346.305 3.344 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000873574956 1297599080 /nfs/dbraw/zinc/59/90/80/1297599080.db2.gz QFZDXTQTWLFQTL-WFASDCNBSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)[C@@H]1C[C@@H](OC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000873574568 1297599599 /nfs/dbraw/zinc/59/95/99/1297599599.db2.gz OQTZYTRRNZNXSC-WFASDCNBSA-N 0 0 337.372 3.111 10 5 EGBERN COc1cccc(C(=O)O[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000873576314 1297602269 /nfs/dbraw/zinc/60/22/69/1297602269.db2.gz UHMJFTOKWJELDZ-BXUZGUMPSA-N 0 0 337.372 3.354 10 5 EGBERN Cc1cc(NCc2cn(C)nc2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC000876862132 1299038885 /nfs/dbraw/zinc/03/88/85/1299038885.db2.gz LCWZWKNPUWNSNX-UHFFFAOYSA-N 0 0 344.293 3.190 10 5 EGBERN CC(C)(CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)CC(F)F ZINC000879694809 1300680205 /nfs/dbraw/zinc/68/02/05/1300680205.db2.gz AXZBOERVSNEQCQ-UHFFFAOYSA-N 0 0 342.342 3.256 10 5 EGBERN CC(=O)c1c(N[C@H]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000882110337 1301832802 /nfs/dbraw/zinc/83/28/02/1301832802.db2.gz JIFZQJQOFONVDO-BLLLJJGKSA-N 0 0 336.413 3.264 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000882197174 1301874432 /nfs/dbraw/zinc/87/44/32/1301874432.db2.gz HZNWHRMHYHZWPZ-LJQANCHMSA-N 0 0 338.363 3.433 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000884699718 1302955977 /nfs/dbraw/zinc/95/59/77/1302955977.db2.gz HDUAZGQVTIZCQH-KSBHJAGGSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(C2CCC2)CC1 ZINC000884981086 1303018225 /nfs/dbraw/zinc/01/82/25/1303018225.db2.gz FOIDAAHNKCDFSZ-YPKPFQOOSA-N 0 0 344.411 3.152 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000886012039 1303318282 /nfs/dbraw/zinc/31/82/82/1303318282.db2.gz ZSXPNXMLOZQOBL-KDOFPFPSSA-N 0 0 329.400 3.115 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1CC1CC1 ZINC000886467818 1303471971 /nfs/dbraw/zinc/47/19/71/1303471971.db2.gz LNBFQYUYFMGNRT-JIIJFUIFSA-N 0 0 330.384 3.026 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000889727465 1304574988 /nfs/dbraw/zinc/57/49/88/1304574988.db2.gz MZEQLSCONRKSJL-MDWZMJQESA-N 0 0 344.411 3.462 10 5 EGBERN CC1(C)CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000890125007 1304680517 /nfs/dbraw/zinc/68/05/17/1304680517.db2.gz YFDLNHHXKDPSBL-HRCADAONSA-N 0 0 332.400 3.162 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H]1C1CCOCC1 ZINC000892640795 1305484490 /nfs/dbraw/zinc/48/44/90/1305484490.db2.gz YRLPTDUSFABHBQ-JKSUJKDBSA-N 0 0 341.367 3.144 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000893522796 1305948025 /nfs/dbraw/zinc/94/80/25/1305948025.db2.gz FUQXURDZMNCARX-LBPRGKRZSA-N 0 0 347.396 3.080 10 5 EGBERN CC[C@H](NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000893859172 1306100796 /nfs/dbraw/zinc/10/07/96/1306100796.db2.gz SGVDJQHQTXJBRL-SADTYBKJSA-N 0 0 332.400 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC3(CCC3)CO2)c1F ZINC000894529750 1308940522 /nfs/dbraw/zinc/94/05/22/1308940522.db2.gz XQHLSBKOBSXTDJ-ZDUSSCGKSA-N 0 0 336.363 3.121 10 5 EGBERN C[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000894671148 1309016289 /nfs/dbraw/zinc/01/62/89/1309016289.db2.gz BELXBAKRQCOVCC-KRZKXXONSA-N 0 0 344.411 3.464 10 5 EGBERN CCOc1cc(C(=O)NC2CCC=CCC2)c([N+](=O)[O-])cc1OC ZINC000895208197 1309240898 /nfs/dbraw/zinc/24/08/98/1309240898.db2.gz MLKXXYMIAIUPBO-UHFFFAOYSA-N 0 0 334.372 3.231 10 5 EGBERN CCOC(=O)[C@@H]1[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C[C@@H]21 ZINC000895585981 1309416022 /nfs/dbraw/zinc/41/60/22/1309416022.db2.gz VPWIKCCZRHOVDX-SCDSUCTJSA-N 0 0 340.326 3.168 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895594396 1309419551 /nfs/dbraw/zinc/41/95/51/1309419551.db2.gz OSKMRJUTGLESLR-RUCARUNLSA-N 0 0 340.379 3.302 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCS[C@@H](C(F)(F)F)C1 ZINC000895595462 1309421234 /nfs/dbraw/zinc/42/12/34/1309421234.db2.gz MWCIRJWJEWYTPJ-LLVKDONJSA-N 0 0 334.319 3.282 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccs3)C2)c1C ZINC000896983252 1310119879 /nfs/dbraw/zinc/11/98/79/1310119879.db2.gz NSZLZROBOWXYPX-AWEZNQCLSA-N 0 0 346.408 3.487 10 5 EGBERN CC(C)Oc1nc(NC[C@]23C[C@H]2COC32CCC2)ccc1[N+](=O)[O-] ZINC000897260795 1310250926 /nfs/dbraw/zinc/25/09/26/1310250926.db2.gz ODHDHXDKRFSFPJ-BLLLJJGKSA-N 0 0 333.388 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC(O)CC3)CC2)c1C ZINC000897873984 1310501771 /nfs/dbraw/zinc/50/17/71/1310501771.db2.gz WTICAIVAYPVPJR-UHFFFAOYSA-N 0 0 346.427 3.369 10 5 EGBERN O=C(NCC[C@H]1CC1(Cl)Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857686520 1328584511 /nfs/dbraw/zinc/58/45/11/1328584511.db2.gz ABLCZDDNBQCUOB-LURJTMIESA-N 0 0 339.125 3.187 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1 ZINC000858011674 1328658099 /nfs/dbraw/zinc/65/80/99/1328658099.db2.gz XOHITXQVCFVMFL-AWEZNQCLSA-N 0 0 344.346 3.059 10 5 EGBERN CNc1nccc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000899376953 1317010229 /nfs/dbraw/zinc/01/02/29/1317010229.db2.gz SHDQSHWFMDGXOG-DOMZBBRYSA-N 0 0 340.383 3.255 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899404288 1317020730 /nfs/dbraw/zinc/02/07/30/1317020730.db2.gz KUOQAVIYXBEAES-PKIAMQTDSA-N 0 0 327.384 3.027 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000899750307 1317143552 /nfs/dbraw/zinc/14/35/52/1317143552.db2.gz JBVGZNFFHKCSIW-AWEZNQCLSA-N 0 0 347.415 3.070 10 5 EGBERN O=[N+]([O-])c1c(NC2CCC3(CC2)OCCO3)ccc2cnccc21 ZINC000858355414 1328743788 /nfs/dbraw/zinc/74/37/88/1328743788.db2.gz TVFBQCRTVPMWCP-UHFFFAOYSA-N 0 0 329.356 3.241 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(c2ccccn2)C1 ZINC000913372159 1319015787 /nfs/dbraw/zinc/01/57/87/1319015787.db2.gz FKYUYNGKDXYYSK-GFCCVEGCSA-N 0 0 343.408 3.096 10 5 EGBERN CC(C)c1ocnc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384897 1319020179 /nfs/dbraw/zinc/02/01/79/1319020179.db2.gz ILJXQWCGXWNBCM-UHFFFAOYSA-N 0 0 341.726 3.429 10 5 EGBERN CC1=C(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000913385191 1319020377 /nfs/dbraw/zinc/02/03/77/1319020377.db2.gz SRTKTMPYONWCGC-UHFFFAOYSA-N 0 0 328.727 3.088 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385715 1319021043 /nfs/dbraw/zinc/02/10/43/1319021043.db2.gz BVRWWOQBCNJADH-YDEXJTGXSA-N 0 0 344.770 3.063 10 5 EGBERN CC(C)CO[C@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385730 1319021647 /nfs/dbraw/zinc/02/16/47/1319021647.db2.gz CHPLORSPHJGJGC-SECBINFHSA-N 0 0 332.759 3.065 10 5 EGBERN CO[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000913386105 1319021656 /nfs/dbraw/zinc/02/16/56/1319021656.db2.gz NXKVVJADLJXVLK-CQSZACIVSA-N 0 0 344.770 3.209 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913586695 1319064375 /nfs/dbraw/zinc/06/43/75/1319064375.db2.gz AIIWLAMUFIKURK-JSGCOSHPSA-N 0 0 342.399 3.033 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913668402 1319091638 /nfs/dbraw/zinc/09/16/38/1319091638.db2.gz ZFOJZBRVNWTOOT-FZMZJTMJSA-N 0 0 340.807 3.207 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000913722036 1319107881 /nfs/dbraw/zinc/10/78/81/1319107881.db2.gz GYHNIUGSQOOHQP-LBPRGKRZSA-N 0 0 344.770 3.465 10 5 EGBERN C[C@]1(Br)C[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000858649419 1328817971 /nfs/dbraw/zinc/81/79/71/1328817971.db2.gz VXOISVPXAKMSKX-ZANVPECISA-N 0 0 338.161 3.210 10 5 EGBERN C[C@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000914330888 1319297278 /nfs/dbraw/zinc/29/72/78/1319297278.db2.gz GAANLLUPOOBZQC-AWEZNQCLSA-N 0 0 348.424 3.208 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@]12C[C@H]1COC21CCC1 ZINC000930317303 1328832180 /nfs/dbraw/zinc/83/21/80/1328832180.db2.gz UAHBXVBLLDLHCX-YVEFUNNKSA-N 0 0 331.372 3.045 10 5 EGBERN Cc1ccc(N2CC3(C2)CCCO3)c([N+](=O)[O-])c1Br ZINC000858722509 1328840459 /nfs/dbraw/zinc/84/04/59/1328840459.db2.gz MLFXZJFGEXOVEF-UHFFFAOYSA-N 0 0 327.178 3.035 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1CCC2(CCC2)CO1 ZINC000916773057 1319706152 /nfs/dbraw/zinc/70/61/52/1319706152.db2.gz OHUIQVMVYHVNLL-JTQLQIEISA-N 0 0 344.209 3.212 10 5 EGBERN CCOc1ccc(C(=O)OCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000918514299 1319964271 /nfs/dbraw/zinc/96/42/71/1319964271.db2.gz AUOOOSCZORXTGT-UHFFFAOYSA-N 0 0 337.372 3.500 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)OCCCOC1CCCCC1 ZINC000918517487 1319964999 /nfs/dbraw/zinc/96/49/99/1319964999.db2.gz JDLVTFYFROKOHR-UHFFFAOYSA-N 0 0 337.372 3.256 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@H]1CC[C@@H](C2CC2)O1 ZINC000918657701 1319984258 /nfs/dbraw/zinc/98/42/58/1319984258.db2.gz HJIYAAPMOFHDJW-ZJUUUORDSA-N 0 0 343.177 3.089 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000918657743 1319984350 /nfs/dbraw/zinc/98/43/50/1319984350.db2.gz HQMJIKZIZGKISM-RNLVFQAGSA-N 0 0 349.131 3.422 10 5 EGBERN CN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859044040 1328913616 /nfs/dbraw/zinc/91/36/16/1328913616.db2.gz QDIKEXDBWJGLNE-UHFFFAOYSA-N 0 0 344.367 3.162 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000930732603 1328953054 /nfs/dbraw/zinc/95/30/54/1328953054.db2.gz OKJZEANBAUYAOX-CZUORRHYSA-N 0 0 333.388 3.230 10 5 EGBERN CC(C)(C)[S@@](=O)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859335751 1328971488 /nfs/dbraw/zinc/97/14/88/1328971488.db2.gz AUIYGGPVEDKTSI-DEOSSOPVSA-N 0 0 348.424 3.025 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000859380970 1328979445 /nfs/dbraw/zinc/97/94/45/1328979445.db2.gz BBQSMGNWMPFQKV-KRWDZBQOSA-N 0 0 338.379 3.430 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000859406860 1328982954 /nfs/dbraw/zinc/98/29/54/1328982954.db2.gz XQUMPWJOSYQCPC-UHFFFAOYSA-N 0 0 344.820 3.203 10 5 EGBERN CC/C=C(\F)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919106846 1322027839 /nfs/dbraw/zinc/02/78/39/1322027839.db2.gz ZAGQRCDXVLBCSX-KMKOMSMNSA-N 0 0 331.141 3.237 10 5 EGBERN C[C@H](OC(=O)c1cnn(C)c1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000920155286 1322145640 /nfs/dbraw/zinc/14/56/40/1322145640.db2.gz NQQXQDFJMTXOBQ-QMMMGPOBSA-N 0 0 343.261 3.265 10 5 EGBERN O=C(CNc1cc([N+](=O)[O-])ccc1F)N[C@@H]1CCCc2ccccc21 ZINC000921059343 1322251002 /nfs/dbraw/zinc/25/10/02/1322251002.db2.gz VEAFLYLTOQSJIT-MRXNPFEDSA-N 0 0 343.358 3.340 10 5 EGBERN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000859546869 1329013853 /nfs/dbraw/zinc/01/38/53/1329013853.db2.gz RMCSDMRMACDBKN-OIISXLGYSA-N 0 0 340.379 3.291 10 5 EGBERN Cc1cnc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000921419826 1322310590 /nfs/dbraw/zinc/31/05/90/1322310590.db2.gz NJOUTZCNKQUAIB-UHFFFAOYSA-N 0 0 348.790 3.259 10 5 EGBERN Cc1cc(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000922180006 1322473445 /nfs/dbraw/zinc/47/34/45/1322473445.db2.gz QJAJAJVUYODCGV-ZYHUDNBSSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000922180003 1322473573 /nfs/dbraw/zinc/47/35/73/1322473573.db2.gz QJAJAJVUYODCGV-CMPLNLGQSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1nn(C)c(C(=O)OCc2cccc(OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000922381144 1322513990 /nfs/dbraw/zinc/51/39/90/1322513990.db2.gz FXVPFVNYCYJQKJ-UHFFFAOYSA-N 0 0 347.371 3.171 10 5 EGBERN Cc1cc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)cc([N+](=O)[O-])c1 ZINC000922387939 1322515113 /nfs/dbraw/zinc/51/51/13/1322515113.db2.gz NIKZQSPQEGSOBL-NWDGAFQWSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000923171366 1322704125 /nfs/dbraw/zinc/70/41/25/1322704125.db2.gz GVXGTMHPXOUTEF-CHWSQXEVSA-N 0 0 328.372 3.154 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000923423363 1322749294 /nfs/dbraw/zinc/74/92/94/1322749294.db2.gz BRFWAVNLHYHOIF-CQSZACIVSA-N 0 0 349.383 3.256 10 5 EGBERN CCS[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000859665641 1329049315 /nfs/dbraw/zinc/04/93/15/1329049315.db2.gz UGPCIPFFKZSSAX-CQSZACIVSA-N 0 0 343.376 3.238 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCc1cccc([N+](=O)[O-])c1 ZINC000923723708 1322797567 /nfs/dbraw/zinc/79/75/67/1322797567.db2.gz XFVNUTBUUKXUCW-RYUDHWBXSA-N 0 0 333.262 3.138 10 5 EGBERN Cc1ccc(-c2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)cc1[N+](=O)[O-] ZINC000923820427 1322817393 /nfs/dbraw/zinc/81/73/93/1322817393.db2.gz JIXHJDBGWJTWKW-ZFWWWQNUSA-N 0 0 329.356 3.453 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000923962443 1322856600 /nfs/dbraw/zinc/85/66/00/1322856600.db2.gz NMBJIISDTMDWIW-DUVNUKRYSA-N 0 0 337.347 3.167 10 5 EGBERN C[C@@H](NC(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924045631 1322882999 /nfs/dbraw/zinc/88/29/99/1322882999.db2.gz FPSXPKLVKNSYRL-DOMZBBRYSA-N 0 0 335.404 3.160 10 5 EGBERN COC(=O)[C@](C)(NCc1ccccc1CF)c1cccc([N+](=O)[O-])c1 ZINC000931262501 1329081547 /nfs/dbraw/zinc/08/15/47/1329081547.db2.gz VXTTXXIWJGPOQC-GOSISDBHSA-N 0 0 346.358 3.242 10 5 EGBERN C[C@@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000859811625 1329083209 /nfs/dbraw/zinc/08/32/09/1329083209.db2.gz SDLNEQWWWAGPOK-JTQLQIEISA-N 0 0 335.287 3.247 10 5 EGBERN C[C@@H]1CC2(CC(NC(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)CO1 ZINC000931297871 1329088586 /nfs/dbraw/zinc/08/85/86/1329088586.db2.gz QXZMHMYOOFMSJX-SBTGLGLWSA-N 0 0 339.779 3.327 10 5 EGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOCC1 ZINC000859960279 1329119470 /nfs/dbraw/zinc/11/94/70/1329119470.db2.gz NACLEOATTMJVLQ-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000931494971 1329130172 /nfs/dbraw/zinc/13/01/72/1329130172.db2.gz ZCVHLPFQHUMATO-SUMWQHHRSA-N 0 0 345.399 3.238 10 5 EGBERN C[C@@H](CN(C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099108 1329146231 /nfs/dbraw/zinc/14/62/31/1329146231.db2.gz YEPQCDBCUPEOJN-NSHDSACASA-N 0 0 341.383 3.079 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860119269 1329151222 /nfs/dbraw/zinc/15/12/22/1329151222.db2.gz UFMPEIHOEBBASX-BXKDBHETSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC(F)(C2CC2)CC1 ZINC000931607674 1329152834 /nfs/dbraw/zinc/15/28/34/1329152834.db2.gz MJGIKWNCNKWTTO-UHFFFAOYSA-N 0 0 325.315 3.480 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931669349 1329161346 /nfs/dbraw/zinc/16/13/46/1329161346.db2.gz ALNQTCHOOWWYHU-NSHDSACASA-N 0 0 346.362 3.473 10 5 EGBERN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C12CC(C1)C2 ZINC000860270890 1329185351 /nfs/dbraw/zinc/18/53/51/1329185351.db2.gz FKNRRRUJTUAZON-UHFFFAOYSA-N 0 0 326.146 3.201 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000926022545 1325390895 /nfs/dbraw/zinc/39/08/95/1325390895.db2.gz QDLKGTBKFYZBBK-HSZRJFAPSA-N 0 0 340.401 3.174 10 5 EGBERN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccnnc1 ZINC000926301312 1325507542 /nfs/dbraw/zinc/50/75/42/1325507542.db2.gz FYOCJZYEZNXMAY-SECBINFHSA-N 0 0 326.278 3.254 10 5 EGBERN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000926316765 1325515227 /nfs/dbraw/zinc/51/52/27/1325515227.db2.gz NJTIYEYRUOSEIX-RYUDHWBXSA-N 0 0 347.293 3.216 10 5 EGBERN C[C@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860317606 1329303949 /nfs/dbraw/zinc/30/39/49/1329303949.db2.gz BYYRAVYIODHUIQ-IUCAKERBSA-N 0 0 348.277 3.054 10 5 EGBERN CCOc1cc(COC(=O)c2ocnc2C(F)F)ccc1[N+](=O)[O-] ZINC000860400965 1329313513 /nfs/dbraw/zinc/31/35/13/1329313513.db2.gz DSSBGAXLWAIWMS-UHFFFAOYSA-N 0 0 342.254 3.276 10 5 EGBERN O=C(N[C@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861010949 1329377786 /nfs/dbraw/zinc/37/77/86/1329377786.db2.gz QBROBIKOYKLNGD-SJCJKPOMSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026789 1327825620 /nfs/dbraw/zinc/82/56/20/1327825620.db2.gz GRGVEDQMAXMISM-XPKDYRNWSA-N 0 0 346.456 3.291 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1cccc([N+](=O)[O-])c1Cl ZINC000927608210 1328076336 /nfs/dbraw/zinc/07/63/36/1328076336.db2.gz FYDOVOTXWZMAEV-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN Cc1cc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000928139298 1328213111 /nfs/dbraw/zinc/21/31/11/1328213111.db2.gz AVGCFHUVQVZGOQ-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1C ZINC000928144457 1328215854 /nfs/dbraw/zinc/21/58/54/1328215854.db2.gz XMHYTPGGKDSUQX-LLVKDONJSA-N 0 0 348.346 3.332 10 5 EGBERN CC(C)(/C=C\Cl)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928935831 1328477239 /nfs/dbraw/zinc/47/72/39/1328477239.db2.gz FPCPLLLDLKWLDC-KTKRTIGZSA-N 0 0 325.796 3.434 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOCC12CCCCC2 ZINC000861920707 1329450379 /nfs/dbraw/zinc/45/03/79/1329450379.db2.gz RSRYYSFQWDJFPM-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H](O)C(C)C ZINC000861996621 1329454325 /nfs/dbraw/zinc/45/43/25/1329454325.db2.gz PJXRMNOMQNRAFX-IAGOWNOFSA-N 0 0 330.384 3.273 10 5 EGBERN C[C@@]1(C2CC2)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862164449 1329463691 /nfs/dbraw/zinc/46/36/91/1329463691.db2.gz GRBXUVHXBUXEFK-IBGZPJMESA-N 0 0 340.379 3.389 10 5 EGBERN CC1(c2nsc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)CC1 ZINC000862608970 1329499012 /nfs/dbraw/zinc/49/90/12/1329499012.db2.gz ITAQCQKOQPIMBD-UHFFFAOYSA-N 0 0 338.776 3.404 10 5 EGBERN Cc1nn(CN2CCc3cc(C(F)(F)F)ccc3C2)cc1[N+](=O)[O-] ZINC000863317986 1329546062 /nfs/dbraw/zinc/54/60/62/1329546062.db2.gz IPZPXJUMSVZZBC-UHFFFAOYSA-N 0 0 340.305 3.134 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000864660630 1329635215 /nfs/dbraw/zinc/63/52/15/1329635215.db2.gz GBXBDFGHKAJFLD-GBIKHYSHSA-N 0 0 326.780 3.020 10 5 EGBERN CC[C@@H](C)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865082975 1329667865 /nfs/dbraw/zinc/66/78/65/1329667865.db2.gz PIHWMONFMOIDDI-SECBINFHSA-N 0 0 329.194 3.157 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000865527323 1329709297 /nfs/dbraw/zinc/70/92/97/1329709297.db2.gz JKGACDKQWUNJNO-MRXNPFEDSA-N 0 0 349.337 3.218 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC=C(c2ccccc2)C1 ZINC000865658548 1329726180 /nfs/dbraw/zinc/72/61/80/1329726180.db2.gz RVFATPOHJNGOJC-UHFFFAOYSA-N 0 0 338.289 3.251 10 5 EGBERN COCOc1ccc(OC)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787689 1329738662 /nfs/dbraw/zinc/73/86/62/1329738662.db2.gz RDFNPZKTUPNUMK-UHFFFAOYSA-N 0 0 346.383 3.184 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Cn3cnnc3)CC2)c(C(F)F)c1 ZINC000865909181 1329751083 /nfs/dbraw/zinc/75/10/83/1329751083.db2.gz XSNMEUNZMWCPEW-UHFFFAOYSA-N 0 0 337.330 3.041 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000866079439 1330063308 /nfs/dbraw/zinc/06/33/08/1330063308.db2.gz RBZQNRYRMXJHQJ-DLJWSFKXSA-N 0 0 332.425 3.461 10 5 EGBERN CN1Cc2ccccc2[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000866195199 1330076504 /nfs/dbraw/zinc/07/65/04/1330076504.db2.gz OYVVBDKUCJIMGT-CYBMUJFWSA-N 0 0 341.396 3.198 10 5 EGBERN COc1ccc([C@@H]2CN(c3cccc(OC)c3[N+](=O)[O-])CCO2)cc1 ZINC000866235430 1330082326 /nfs/dbraw/zinc/08/23/26/1330082326.db2.gz CTKHQAZCVGCAHP-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000866254217 1330086152 /nfs/dbraw/zinc/08/61/52/1330086152.db2.gz TTXDTCRRJJLIBR-ZDUSSCGKSA-N 0 0 345.790 3.027 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000866260015 1330086868 /nfs/dbraw/zinc/08/68/68/1330086868.db2.gz RUWWUWGWUPYSLN-PBHICJAKSA-N 0 0 332.331 3.165 10 5 EGBERN COc1cc(N[C@@H]2C[C@H]2C2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000866272940 1330088885 /nfs/dbraw/zinc/08/88/85/1330088885.db2.gz YRQXCJBCWXBUIG-CMPLNLGQSA-N 0 0 326.780 3.484 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccco1 ZINC000867583822 1330210409 /nfs/dbraw/zinc/21/04/09/1330210409.db2.gz SIPZSADCUAXLHB-GFCCVEGCSA-N 0 0 342.398 3.021 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000868122717 1330251876 /nfs/dbraw/zinc/25/18/76/1330251876.db2.gz QJPFSDHNHICOHU-DZGCQCFKSA-N 0 0 347.415 3.162 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000868126526 1330252450 /nfs/dbraw/zinc/25/24/50/1330252450.db2.gz TWBTXZRMPAMETH-GFCCVEGCSA-N 0 0 333.413 3.395 10 5 EGBERN CCOC1(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000868650548 1330304890 /nfs/dbraw/zinc/30/48/90/1330304890.db2.gz MTSMVDXRZNZDED-UHFFFAOYSA-N 0 0 335.404 3.052 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000869052807 1330403212 /nfs/dbraw/zinc/40/32/12/1330403212.db2.gz FDALDAQNWVUAGJ-MRXNPFEDSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1ccc(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)N2)cc1[N+](=O)[O-] ZINC000869520880 1330516199 /nfs/dbraw/zinc/51/61/99/1330516199.db2.gz QQHWELIDQSGOIK-DGCLKSJQSA-N 0 0 346.305 3.019 10 5 EGBERN O=C(NCC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000869596423 1330530263 /nfs/dbraw/zinc/53/02/63/1330530263.db2.gz NYMHASNICHXQOP-VIFPVBQESA-N 0 0 348.346 3.487 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)C1([C@H]2CCCCO2)CCC1 ZINC000869810050 1330568552 /nfs/dbraw/zinc/56/85/52/1330568552.db2.gz OAGVDDNWJXXTBX-GFCCVEGCSA-N 0 0 325.386 3.439 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1[N+](=O)[O-] ZINC000869826202 1330571398 /nfs/dbraw/zinc/57/13/98/1330571398.db2.gz CBWHMILJVJYQDL-UAGQMJEPSA-N 0 0 346.427 3.340 10 5 EGBERN Cc1c(COC(=O)c2cn3c(n2)C[C@H](C)CC3)cccc1[N+](=O)[O-] ZINC000869858365 1330577875 /nfs/dbraw/zinc/57/78/75/1330577875.db2.gz YTMWCJFYGWQZQC-LLVKDONJSA-N 0 0 329.356 3.039 10 5 EGBERN CC(C)Oc1ccnc(COC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000869897580 1330585509 /nfs/dbraw/zinc/58/55/09/1330585509.db2.gz YTTTWZNWQGKLFZ-UHFFFAOYSA-N 0 0 334.303 3.273 10 5 EGBERN CCOC(=O)CCCCCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001184905750 1387559926 /nfs/dbraw/zinc/55/99/26/1387559926.db2.gz RVRQFYYMPLJRHR-UHFFFAOYSA-N 0 0 334.376 3.168 10 5 EGBERN CN(C)c1ccc(CCNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC001185170535 1387632154 /nfs/dbraw/zinc/63/21/54/1387632154.db2.gz JYYMIYFJOUVXRE-UHFFFAOYSA-N 0 0 336.395 3.286 10 5 EGBERN O=c1[nH]ccc(NCCOc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001185290606 1387671871 /nfs/dbraw/zinc/67/18/71/1387671871.db2.gz KLFCAVHMLJBSAQ-UHFFFAOYSA-N 0 0 343.261 3.205 10 5 EGBERN CC(C)[C@@H]1CCCCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001185378198 1387697179 /nfs/dbraw/zinc/69/71/79/1387697179.db2.gz SIWUVQGIMNWOPN-AWEZNQCLSA-N 0 0 329.400 3.462 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185438368 1387717440 /nfs/dbraw/zinc/71/74/40/1387717440.db2.gz FINSVJPGZYKFIL-QGZVFWFLSA-N 0 0 335.379 3.303 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001324771091 1387765959 /nfs/dbraw/zinc/76/59/59/1387765959.db2.gz KYUYMDXRKCOUSB-UHFFFAOYSA-N 0 0 346.362 3.261 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC001324774127 1387767625 /nfs/dbraw/zinc/76/76/25/1387767625.db2.gz HITITNKMJWFBEW-DOTOQJQBSA-N 0 0 348.443 3.427 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001185685679 1387778516 /nfs/dbraw/zinc/77/85/16/1387778516.db2.gz RFTRYRGCTBFIHI-UKRRQHHQSA-N 0 0 339.823 3.304 10 5 EGBERN Cc1cc(Nc2nn(C)cc2[N+](=O)[O-])ccc1C(=O)OC(C)(C)C ZINC001186009971 1387845350 /nfs/dbraw/zinc/84/53/50/1387845350.db2.gz KPVQSCGOUMBTGO-UHFFFAOYSA-N 0 0 332.360 3.336 10 5 EGBERN C[C@H]1OCC[C@H]1Sc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186014043 1387845676 /nfs/dbraw/zinc/84/56/76/1387845676.db2.gz FJFPXHHWTWTZAX-AMIZOPFISA-N 0 0 335.341 3.321 10 5 EGBERN CC1(C)[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC001191204681 1367445039 /nfs/dbraw/zinc/44/50/39/1367445039.db2.gz URSSYQGYZUBGEY-TXEJJXNPSA-N 0 0 325.206 3.445 10 5 EGBERN Cc1csc([C@@H](C)NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC001193080901 1367938747 /nfs/dbraw/zinc/93/87/47/1367938747.db2.gz KUVZKNJJQPERHQ-SNVBAGLBSA-N 0 0 345.384 3.261 10 5 EGBERN C[C@@](CO)(NCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001196908098 1368711958 /nfs/dbraw/zinc/71/19/58/1368711958.db2.gz PJDKGKCPFQSDLV-SFHVURJKSA-N 0 0 326.352 3.338 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H](CO)c2ccc(F)cc2)ccc2cnccc21 ZINC001186705510 1387999154 /nfs/dbraw/zinc/99/91/54/1387999154.db2.gz JNGSCVPIRGWPJQ-AWEZNQCLSA-N 0 0 341.342 3.470 10 5 EGBERN CC(=O)c1cccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC001186881121 1388021410 /nfs/dbraw/zinc/02/14/10/1388021410.db2.gz HUKVHLBGFGUVHG-UHFFFAOYSA-N 0 0 339.351 3.294 10 5 EGBERN C[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001187242894 1388080171 /nfs/dbraw/zinc/08/01/71/1388080171.db2.gz PHQCYTGHMXPAQH-NWDGAFQWSA-N 0 0 336.392 3.190 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001187242896 1388080465 /nfs/dbraw/zinc/08/04/65/1388080465.db2.gz PHQCYTGHMXPAQH-VXGBXAGGSA-N 0 0 336.392 3.190 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3Br)o2)nc1 ZINC001117177589 1371017758 /nfs/dbraw/zinc/01/77/58/1371017758.db2.gz AMPGCBPXLXCXNF-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN CC(C)(C)OC1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001119047851 1371269802 /nfs/dbraw/zinc/26/98/02/1371269802.db2.gz XIHQWEJEIBIXPO-UHFFFAOYSA-N 0 0 334.416 3.380 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2c3ccccc3OC[C@@H]2F)nc2sccn21 ZINC001187586450 1388127673 /nfs/dbraw/zinc/12/76/73/1388127673.db2.gz NMOVDXBDPRXIPQ-ONGXEEELSA-N 0 0 334.332 3.188 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCCc2cccc3c2OCCO3)c(F)c1 ZINC001187702690 1388146936 /nfs/dbraw/zinc/14/69/36/1388146936.db2.gz WZTAHYQIKBTKCO-UHFFFAOYSA-N 0 0 336.294 3.299 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(OCCO)CCCCC2)c2ncccc12 ZINC001187798328 1388165539 /nfs/dbraw/zinc/16/55/39/1388165539.db2.gz IHVUAYMXNLWBFS-UHFFFAOYSA-N 0 0 345.399 3.267 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC[C@H]2CCOC2)c1 ZINC001326406517 1388179315 /nfs/dbraw/zinc/17/93/15/1388179315.db2.gz NEIQCQJSLZFGAG-LLVKDONJSA-N 0 0 325.386 3.041 10 5 EGBERN COc1ccccc1N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001187880599 1388182748 /nfs/dbraw/zinc/18/27/48/1388182748.db2.gz KZWTVECLXBEKQO-UHFFFAOYSA-N 0 0 327.384 3.320 10 5 EGBERN Cc1cc(NC(=O)NCc2cccc3c2CCOC3)cc([N+](=O)[O-])c1 ZINC001123453532 1372474537 /nfs/dbraw/zinc/47/45/37/1372474537.db2.gz JYZHWAXXBVPCHU-UHFFFAOYSA-N 0 0 341.367 3.298 10 5 EGBERN COc1cccc(COC(=O)c2c(F)cccc2[N+](=O)[O-])c1OC ZINC001124254259 1372688221 /nfs/dbraw/zinc/68/82/21/1372688221.db2.gz RZYGASNQUBZKJW-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC001124397032 1372698401 /nfs/dbraw/zinc/69/84/01/1372698401.db2.gz VLEUHJSZKHCEKE-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN COC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001124506252 1372707472 /nfs/dbraw/zinc/70/74/72/1372707472.db2.gz ANHCKSDDJTUZNQ-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN O=C(c1ocnc1-c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124619098 1372717510 /nfs/dbraw/zinc/71/75/10/1372717510.db2.gz HMVXLTKGZDQEDM-UHFFFAOYSA-N 0 0 335.319 3.453 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1nsc2ccccc21 ZINC001124882444 1372737922 /nfs/dbraw/zinc/73/79/22/1372737922.db2.gz XHSOYUBJAPCAFT-UHFFFAOYSA-N 0 0 341.392 3.406 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)Oc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001125083338 1372752551 /nfs/dbraw/zinc/75/25/51/1372752551.db2.gz DIZPEQRIUUPHOQ-KRWDZBQOSA-N 0 0 340.335 3.310 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC(c2ccccc2C)=NO1 ZINC001125150188 1372756829 /nfs/dbraw/zinc/75/68/29/1372756829.db2.gz SWBCXLZTDBSNQT-QGZVFWFLSA-N 0 0 340.335 3.310 10 5 EGBERN Cc1c(OC(=O)c2cccc3c2OCCCO3)cccc1[N+](=O)[O-] ZINC001125228266 1372761696 /nfs/dbraw/zinc/76/16/96/1372761696.db2.gz GXVXOSULGODCMU-UHFFFAOYSA-N 0 0 329.308 3.284 10 5 EGBERN COc1cc(F)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001125251550 1372763559 /nfs/dbraw/zinc/76/35/59/1372763559.db2.gz LJIMOGGKGKVZRS-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2ccoc21 ZINC001125381893 1372778993 /nfs/dbraw/zinc/77/89/93/1372778993.db2.gz FSLVXZPNZGWPTK-UHFFFAOYSA-N 0 0 328.299 3.453 10 5 EGBERN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001125791661 1372857354 /nfs/dbraw/zinc/85/73/54/1372857354.db2.gz QKGGENVEZDKPQM-UKRRQHHQSA-N 0 0 348.305 3.148 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC001125864604 1372876757 /nfs/dbraw/zinc/87/67/57/1372876757.db2.gz ZHEOOMGLZUZIJL-UHFFFAOYSA-N 0 0 338.703 3.189 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)n1 ZINC001125961733 1372900399 /nfs/dbraw/zinc/90/03/99/1372900399.db2.gz BGHVQPQQZRVKSF-SNVBAGLBSA-N 0 0 333.310 3.347 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC001126072489 1372926621 /nfs/dbraw/zinc/92/66/21/1372926621.db2.gz ITXGQMJFKKBCAC-DXMSMQRWSA-N 0 0 344.392 3.074 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2nccn21 ZINC001126096845 1372933298 /nfs/dbraw/zinc/93/32/98/1372933298.db2.gz GXPLYVULPBXNEU-UHFFFAOYSA-N 0 0 344.758 3.467 10 5 EGBERN C[S@](=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126243487 1372951767 /nfs/dbraw/zinc/95/17/67/1372951767.db2.gz UPOUVKOYFQKKIW-YWTKSJFSSA-N 0 0 344.392 3.074 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC001126318910 1372956716 /nfs/dbraw/zinc/95/67/16/1372956716.db2.gz SPUDSVOTTRGTQR-HSZRJFAPSA-N 0 0 336.344 3.032 10 5 EGBERN Cc1cc(F)ccc1CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001126979316 1373062390 /nfs/dbraw/zinc/06/23/90/1373062390.db2.gz MZUVWZPFGGPKHS-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN COc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(C)c1 ZINC001127022411 1373071656 /nfs/dbraw/zinc/07/16/56/1373071656.db2.gz LQZOROBNLTYHJN-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN CO[C@@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127127288 1373092132 /nfs/dbraw/zinc/09/21/32/1373092132.db2.gz IXUWUSRTAUQAMV-INIZCTEOSA-N 0 0 348.786 3.122 10 5 EGBERN Cc1ccccc1-n1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC001127355826 1373117891 /nfs/dbraw/zinc/11/78/91/1373117891.db2.gz KKDIJWLLFAOFQX-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN COC(=O)Nc1ccc(COC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001127574548 1373141686 /nfs/dbraw/zinc/14/16/86/1373141686.db2.gz CMRSRXLOFHMEOU-UHFFFAOYSA-N 0 0 348.286 3.269 10 5 EGBERN CCc1cc(NC(=O)C2(C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001127577966 1373141833 /nfs/dbraw/zinc/14/18/33/1373141833.db2.gz SEFQSKPZUZIQRD-UHFFFAOYSA-N 0 0 325.368 3.256 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127667608 1373156404 /nfs/dbraw/zinc/15/64/04/1373156404.db2.gz VKRCNCXANQJJHS-BSLXNSKLSA-N 0 0 339.395 3.358 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc2c(cccc2Cl)s1 ZINC001128222564 1373236995 /nfs/dbraw/zinc/23/69/95/1373236995.db2.gz OHGNIPVIFVMJMD-UHFFFAOYSA-N 0 0 336.760 3.449 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1coc2c1C(=O)CCC2 ZINC001128304703 1373249875 /nfs/dbraw/zinc/24/98/75/1373249875.db2.gz HENXGNJKDJKOLL-UHFFFAOYSA-N 0 0 332.287 3.407 10 5 EGBERN Cc1cccnc1N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128636838 1373299961 /nfs/dbraw/zinc/29/99/61/1373299961.db2.gz HYWPJYGOGUWFSB-UHFFFAOYSA-N 0 0 336.351 3.310 10 5 EGBERN CC(C)Cc1ncc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001128649048 1373300400 /nfs/dbraw/zinc/30/04/00/1373300400.db2.gz BPNOPWCSBYQMTA-HOTGVXAUSA-N 0 0 340.383 3.326 10 5 EGBERN O=C(CCc1nnc(C(F)F)o1)Nc1cccc([N+](=O)[O-])c1Cl ZINC001128847994 1373315852 /nfs/dbraw/zinc/31/58/52/1373315852.db2.gz YWGBGBLAWQYRIT-UHFFFAOYSA-N 0 0 346.677 3.140 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)CCc1c(Cl)cccc1Cl ZINC001128985344 1373330716 /nfs/dbraw/zinc/33/07/16/1373330716.db2.gz QHSVSHJBIOXZRE-UHFFFAOYSA-N 0 0 343.170 3.206 10 5 EGBERN CCc1cccc(N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC001129517009 1373393245 /nfs/dbraw/zinc/39/32/45/1373393245.db2.gz ZNDPUYRGPJDUCP-UHFFFAOYSA-N 0 0 342.351 3.220 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1COCc2ccccc21 ZINC001129854388 1373429580 /nfs/dbraw/zinc/42/95/80/1373429580.db2.gz QKXKOPNTKPOQIC-INIZCTEOSA-N 0 0 344.392 3.075 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001130087804 1373454685 /nfs/dbraw/zinc/45/46/85/1373454685.db2.gz FLVJXCQQXYZKGU-FZNQNYSPSA-N 0 0 346.427 3.479 10 5 EGBERN COc1cccc(C(=O)Oc2cccc3c2OCCC3)c1[N+](=O)[O-] ZINC001130138068 1373459897 /nfs/dbraw/zinc/45/98/97/1373459897.db2.gz IVMFCIPBGHBBOU-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN CC(C)n1cc(OC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cn1 ZINC001130277707 1373483331 /nfs/dbraw/zinc/48/33/31/1373483331.db2.gz KDBFYGLNLMNRSK-UHFFFAOYSA-N 0 0 340.339 3.327 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])C2 ZINC001130422212 1373531498 /nfs/dbraw/zinc/53/14/98/1373531498.db2.gz BLLVHUKMLVUJFX-UHFFFAOYSA-N 0 0 344.392 3.481 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3ccccc3C)CCC2)n1 ZINC001130684719 1373580437 /nfs/dbraw/zinc/58/04/37/1373580437.db2.gz NKTBUCXJWGRMII-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN O=C(NCc1cccc(OC2CC2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001130695867 1373581816 /nfs/dbraw/zinc/58/18/16/1373581816.db2.gz IFSAWMDMFBFBAT-UHFFFAOYSA-N 0 0 330.315 3.205 10 5 EGBERN Cc1cncc(CCC(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001130758726 1373588653 /nfs/dbraw/zinc/58/86/53/1373588653.db2.gz LSCTUDMCCSVJSN-UHFFFAOYSA-N 0 0 336.351 3.418 10 5 EGBERN CCOc1ccccc1COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001130753300 1373588727 /nfs/dbraw/zinc/58/87/27/1373588727.db2.gz BPWQFYOUJLBUKQ-UHFFFAOYSA-N 0 0 349.314 3.498 10 5 EGBERN O=C(Cn1ncc2ccccc21)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956915 1373615717 /nfs/dbraw/zinc/61/57/17/1373615717.db2.gz IDRHKVARIBWFIY-UHFFFAOYSA-N 0 0 347.334 3.131 10 5 EGBERN C[C@@H](COc1c(F)cccc1F)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001131016233 1373624963 /nfs/dbraw/zinc/62/49/63/1373624963.db2.gz ZEHCCTFODJFVCT-JTQLQIEISA-N 0 0 336.294 3.070 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn2cc(C)nc2c1 ZINC001131595883 1373727766 /nfs/dbraw/zinc/72/77/66/1373727766.db2.gz LNAAYYNYUZOYNU-UHFFFAOYSA-N 0 0 340.339 3.202 10 5 EGBERN O=C(NCc1cccc(F)c1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001131699901 1373770693 /nfs/dbraw/zinc/77/06/93/1373770693.db2.gz SDYNDCQVDGSUST-UHFFFAOYSA-N 0 0 347.321 3.377 10 5 EGBERN COc1cc(C(=O)Nc2cccc3nsnc32)cc([N+](=O)[O-])c1C ZINC001131784952 1373804610 /nfs/dbraw/zinc/80/46/10/1373804610.db2.gz DPIJEFOQSFTGLG-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001131841730 1373832780 /nfs/dbraw/zinc/83/27/80/1373832780.db2.gz XLLWFSHTLWBBTI-SJORKVTESA-N 0 0 347.415 3.104 10 5 EGBERN Cc1cc(C)c(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC001188324846 1388290961 /nfs/dbraw/zinc/29/09/61/1388290961.db2.gz UMGKOVXBFUGTDG-UHFFFAOYSA-N 0 0 334.397 3.197 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSc1nccn1-c1cccc(C)c1 ZINC001188340631 1388293367 /nfs/dbraw/zinc/29/33/67/1388293367.db2.gz AZCXWGNOAOIZOS-UHFFFAOYSA-N 0 0 343.412 3.386 10 5 EGBERN Cc1c(OCc2csc(-c3ccn(C)n3)n2)cccc1[N+](=O)[O-] ZINC001188649688 1388352679 /nfs/dbraw/zinc/35/26/79/1388352679.db2.gz BKGDHQXFXYFDJI-UHFFFAOYSA-N 0 0 330.369 3.339 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001132076789 1375134531 /nfs/dbraw/zinc/13/45/31/1375134531.db2.gz GRUYBHHDYOGJDE-VNQPRFMTSA-N 0 0 328.755 3.316 10 5 EGBERN CC(C)CSCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001225646457 1375138387 /nfs/dbraw/zinc/13/83/87/1375138387.db2.gz HNRNLHPFQNLRLP-GFCCVEGCSA-N 0 0 325.434 3.344 10 5 EGBERN CCOc1ncccc1C(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC001132431530 1375377185 /nfs/dbraw/zinc/37/71/85/1375377185.db2.gz GSSBVARFKPLNQM-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1noc2ccc(F)cc12 ZINC001132444374 1375387601 /nfs/dbraw/zinc/38/76/01/1375387601.db2.gz YFBIHBQEOOOWDM-UHFFFAOYSA-N 0 0 343.314 3.422 10 5 EGBERN O=C(N[C@H](CF)c1ccc(F)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001132556208 1375463065 /nfs/dbraw/zinc/46/30/65/1375463065.db2.gz WDPHXSYFOMEZLV-CQSZACIVSA-N 0 0 346.293 3.051 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/Sc1ccccc1 ZINC001132750449 1375545712 /nfs/dbraw/zinc/54/57/12/1375545712.db2.gz MKIZIIHPLUSSFX-BQYQJAHWSA-N 0 0 331.353 3.243 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccc2c1CCCC2 ZINC001132750401 1375545714 /nfs/dbraw/zinc/54/57/14/1375545714.db2.gz KGYOPKDSEZJRSV-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C1CCc2ccccc2CC1 ZINC001132750390 1375545877 /nfs/dbraw/zinc/54/58/77/1375545877.db2.gz JYBDOGIMKUBZHR-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2nccnc21 ZINC001132772551 1375556211 /nfs/dbraw/zinc/55/62/11/1375556211.db2.gz LYIDCPMOXZODCD-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN CN(Cc1ccns1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001132825635 1375584980 /nfs/dbraw/zinc/58/49/80/1375584980.db2.gz ZSWZTKCRZWQEGA-UHFFFAOYSA-N 0 0 345.302 3.342 10 5 EGBERN COCc1cc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])ccc1OC ZINC001132828770 1375587253 /nfs/dbraw/zinc/58/72/53/1375587253.db2.gz ARHOBTZLVJQCDP-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN CCC(=O)N(C)c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001132961570 1375675989 /nfs/dbraw/zinc/67/59/89/1375675989.db2.gz DMRIZNPUYAFXIU-UHFFFAOYSA-N 0 0 345.330 3.359 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCCc1ccc(F)cc1 ZINC001132963161 1375677174 /nfs/dbraw/zinc/67/71/74/1375677174.db2.gz WCZMVLSCRNAKBJ-UHFFFAOYSA-N 0 0 333.319 3.099 10 5 EGBERN COC(=O)c1csc(COc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001188864386 1388394408 /nfs/dbraw/zinc/39/44/08/1388394408.db2.gz UMZOXEXRZCYCQD-UHFFFAOYSA-N 0 0 328.733 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC001133480087 1376032844 /nfs/dbraw/zinc/03/28/44/1376032844.db2.gz NDZOHVNUTZPWGK-CZUORRHYSA-N 0 0 330.315 3.105 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cscc1Cl ZINC001133822836 1376219317 /nfs/dbraw/zinc/21/93/17/1376219317.db2.gz NJWWCIKYNTUIQV-UHFFFAOYSA-N 0 0 326.761 3.248 10 5 EGBERN CC(C)c1cncnc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001133858285 1376236918 /nfs/dbraw/zinc/23/69/18/1376236918.db2.gz BODDLEMYPKFKBQ-UHFFFAOYSA-N 0 0 339.355 3.102 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC001134133484 1376384620 /nfs/dbraw/zinc/38/46/20/1376384620.db2.gz NUVNJFAMTHWUSN-LLVKDONJSA-N 0 0 333.388 3.239 10 5 EGBERN COC(=O)c1ccc(OC[C@H]2CC3(CO2)CCCCC3)cc1[N+](=O)[O-] ZINC001189092667 1388456572 /nfs/dbraw/zinc/45/65/72/1388456572.db2.gz FIZVLKWQAYYNLA-CQSZACIVSA-N 0 0 349.383 3.500 10 5 EGBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001134785233 1376720015 /nfs/dbraw/zinc/72/00/15/1376720015.db2.gz NQPXJORRLALJLM-OXHMUOHRSA-N 0 0 339.189 3.276 10 5 EGBERN Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cnc1C(F)F ZINC001134888301 1376768225 /nfs/dbraw/zinc/76/82/25/1376768225.db2.gz YLSUPKIRVQJXJE-UHFFFAOYSA-N 0 0 337.282 3.253 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC001134954299 1376809288 /nfs/dbraw/zinc/80/92/88/1376809288.db2.gz WYLRFKHOIJKDKF-CQSZACIVSA-N 0 0 332.400 3.399 10 5 EGBERN COc1cccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001135745168 1377199603 /nfs/dbraw/zinc/19/96/03/1377199603.db2.gz ICROIMZDJBZQQB-UHFFFAOYSA-N 0 0 334.759 3.116 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(c2)COC3)c([N+](=O)[O-])cc1F ZINC001266216162 1377231581 /nfs/dbraw/zinc/23/15/81/1377231581.db2.gz SWIZPEKSTUWBGJ-UHFFFAOYSA-N 0 0 332.287 3.025 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(F)ccc1F ZINC001136721762 1377417707 /nfs/dbraw/zinc/41/77/07/1377417707.db2.gz IPHTXKHQXJRWSW-UHFFFAOYSA-N 0 0 348.305 3.152 10 5 EGBERN Nc1c(F)cccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840442 1377429031 /nfs/dbraw/zinc/42/90/31/1377429031.db2.gz QGUXBULAVAHUIC-MRXNPFEDSA-N 0 0 347.371 3.204 10 5 EGBERN CNc1ccccc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001136872405 1377433624 /nfs/dbraw/zinc/43/36/24/1377433624.db2.gz NMWBRAJWOHTKTH-UHFFFAOYSA-N 0 0 342.399 3.177 10 5 EGBERN CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1cn[nH]c1 ZINC001137119983 1377481532 /nfs/dbraw/zinc/48/15/32/1377481532.db2.gz PAYHJQHNPTYKAM-UHFFFAOYSA-N 0 0 333.106 3.040 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(N)c1Cl ZINC001137280448 1377509497 /nfs/dbraw/zinc/50/94/97/1377509497.db2.gz RHKCYRNTDGGUHQ-UHFFFAOYSA-N 0 0 345.786 3.337 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC001141302214 1378297003 /nfs/dbraw/zinc/29/70/03/1378297003.db2.gz UIFTXYCMVJIVBM-UHFFFAOYSA-N 0 0 326.312 3.046 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001141368560 1378312249 /nfs/dbraw/zinc/31/22/49/1378312249.db2.gz SSWMJHBJUIJYFS-UHFFFAOYSA-N 0 0 332.306 3.421 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)F ZINC001141574706 1378345370 /nfs/dbraw/zinc/34/53/70/1378345370.db2.gz ZHSMAUCURONUAJ-UHFFFAOYSA-N 0 0 335.310 3.374 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH]c(=O)oc21 ZINC001141771374 1378374269 /nfs/dbraw/zinc/37/42/69/1378374269.db2.gz ZXLCDEYJLRWGGQ-UHFFFAOYSA-N 0 0 327.296 3.311 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1CCc1ccccc1 ZINC001141882731 1378389018 /nfs/dbraw/zinc/38/90/18/1378389018.db2.gz YAXVKPKDJIWIHB-GFCCVEGCSA-N 0 0 348.790 3.209 10 5 EGBERN CCSCc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001147633848 1379053120 /nfs/dbraw/zinc/05/31/20/1379053120.db2.gz YXCGFIDYOURIGN-UHFFFAOYSA-N 0 0 340.792 3.477 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC001147951151 1379101654 /nfs/dbraw/zinc/10/16/54/1379101654.db2.gz DZBAKEFSKIMJQH-HNNXBMFYSA-N 0 0 344.392 3.440 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(OCC(C)C)C1 ZINC001148282405 1379145266 /nfs/dbraw/zinc/14/52/66/1379145266.db2.gz LUIXYDQCRMQBSR-OAHLLOKOSA-N 0 0 334.416 3.047 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC1CCC(O)CC1 ZINC001327790578 1388597097 /nfs/dbraw/zinc/59/70/97/1388597097.db2.gz XMWUALYGWGJFBG-UHFFFAOYSA-N 0 0 345.754 3.024 10 5 EGBERN CC(C)CO[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001150431555 1379552127 /nfs/dbraw/zinc/55/21/27/1379552127.db2.gz MRPZECHPNLLAEA-ZDUSSCGKSA-N 0 0 340.807 3.064 10 5 EGBERN O=C(Nc1cccc(O)c1F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001151092906 1379660624 /nfs/dbraw/zinc/66/06/24/1379660624.db2.gz OABIKVIBUCLCKU-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN O=C(CCc1cccnc1Cl)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001153494996 1380084421 /nfs/dbraw/zinc/08/44/21/1380084421.db2.gz QQBVGAFQVDUGAS-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN COc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC001153496088 1380085551 /nfs/dbraw/zinc/08/55/51/1380085551.db2.gz ZPVBHLVOLNLNGH-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCCCCC[C@@H](C)NC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC001328045953 1388652855 /nfs/dbraw/zinc/65/28/55/1388652855.db2.gz QBXDWTOJOIZBKM-GFCCVEGCSA-N 0 0 337.420 3.461 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC001154339940 1380259317 /nfs/dbraw/zinc/25/93/17/1380259317.db2.gz BZVXCWUNOGDMBT-GOEBONIOSA-N 0 0 348.786 3.490 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc2ccccc2o1 ZINC001154360298 1380264762 /nfs/dbraw/zinc/26/47/62/1380264762.db2.gz ASRJMJBYFJGQAM-JTQLQIEISA-N 0 0 325.324 3.414 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2C)c(N)c([N+](=O)[O-])c1 ZINC001154407450 1380272422 /nfs/dbraw/zinc/27/24/22/1380272422.db2.gz URTQNIWRMMUFPI-LLVKDONJSA-N 0 0 331.347 3.424 10 5 EGBERN CC/C=C(\C)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888001 1380296621 /nfs/dbraw/zinc/29/66/21/1380296621.db2.gz BAZIAAVFUMYGCE-PJQLUOCWSA-N 0 0 343.427 3.199 10 5 EGBERN C[C@H]1CCC[C@H](C)N1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001157468330 1380920428 /nfs/dbraw/zinc/92/04/28/1380920428.db2.gz OVWQXOKPGRPWEI-RYUDHWBXSA-N 0 0 342.399 3.238 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001158230933 1381168111 /nfs/dbraw/zinc/16/81/11/1381168111.db2.gz CZEBZQCCPOWUTR-UONOGXRCSA-N 0 0 341.367 3.236 10 5 EGBERN CC(C)[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC001158602927 1381314626 /nfs/dbraw/zinc/31/46/26/1381314626.db2.gz CBXNPEYBFNXBPC-SECBINFHSA-N 0 0 334.401 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnc2n1CCCCC2 ZINC001287975654 1381459298 /nfs/dbraw/zinc/45/92/98/1381459298.db2.gz YZFKDWJOVWGZRC-UHFFFAOYSA-N 0 0 343.383 3.492 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001288212933 1381728258 /nfs/dbraw/zinc/72/82/58/1381728258.db2.gz QBZDIYXVQBFKJP-IUCAKERBSA-N 0 0 347.293 3.306 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328459546 1388750512 /nfs/dbraw/zinc/75/05/12/1388750512.db2.gz VNCUZDKRMPEPSZ-RJZRQDKASA-N 0 0 338.354 3.323 10 5 EGBERN Cc1cncc(C)c1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001288771494 1381932308 /nfs/dbraw/zinc/93/23/08/1381932308.db2.gz PZYPCFDPEGSZCQ-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001288787459 1381939870 /nfs/dbraw/zinc/93/98/70/1381939870.db2.gz DVZPSMKMJGNVNA-WBMJQRKESA-N 0 0 348.305 3.244 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001288787457 1381939929 /nfs/dbraw/zinc/93/99/29/1381939929.db2.gz DVZPSMKMJGNVNA-LRDDRELGSA-N 0 0 348.305 3.244 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1(C)C ZINC001160028070 1381971835 /nfs/dbraw/zinc/97/18/35/1381971835.db2.gz ALYVSPOPGOLLDC-ZDUSSCGKSA-N 0 0 343.786 3.476 10 5 EGBERN C[S@](=O)(=NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC001289707069 1382008487 /nfs/dbraw/zinc/00/84/87/1382008487.db2.gz KTZDDKJLIIDNQY-OAQYLSRUSA-N 0 0 328.346 3.093 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC001328483149 1388760585 /nfs/dbraw/zinc/76/05/85/1388760585.db2.gz UBYSCZWBUXQJHI-BMIGLBTASA-N 0 0 342.342 3.054 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC001328493616 1388763622 /nfs/dbraw/zinc/76/36/22/1388763622.db2.gz GLZYWSBMDKDSHJ-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN Nc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC001160696173 1382173202 /nfs/dbraw/zinc/17/32/02/1382173202.db2.gz HNMIDCRWJFZSGC-UHFFFAOYSA-N 0 0 330.325 3.146 10 5 EGBERN Cn1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC001160697039 1382173364 /nfs/dbraw/zinc/17/33/64/1382173364.db2.gz VLJJLJOGQCCNNY-UHFFFAOYSA-N 0 0 328.303 3.060 10 5 EGBERN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001160696402 1382173523 /nfs/dbraw/zinc/17/35/23/1382173523.db2.gz JGEJUNJULMWHNI-UHFFFAOYSA-N 0 0 343.383 3.492 10 5 EGBERN Nc1c(Cl)cc(Cl)cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293543269 1382297946 /nfs/dbraw/zinc/29/79/46/1382297946.db2.gz XXBZAAFULTVSGK-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN O=[N+]([O-])c1cnn(-c2ncncc2-c2ccc(Br)cc2)c1 ZINC001162083630 1382623716 /nfs/dbraw/zinc/62/37/16/1382623716.db2.gz AUOCZJJONRXQDR-UHFFFAOYSA-N 0 0 346.144 3.000 10 5 EGBERN NC(=O)c1cc(N[C@H]2CCc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC001162251934 1382683017 /nfs/dbraw/zinc/68/30/17/1382683017.db2.gz UZLLDWHASFNXNY-AWEZNQCLSA-N 0 0 331.759 3.447 10 5 EGBERN CCOc1cc(NCCCNc2ccc(C)cc2[N+](=O)[O-])nc(C)n1 ZINC001162575550 1382795716 /nfs/dbraw/zinc/79/57/16/1382795716.db2.gz DHFJTCJIVYURTP-UHFFFAOYSA-N 0 0 345.403 3.314 10 5 EGBERN CCC1(CC)[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001162892186 1382907210 /nfs/dbraw/zinc/90/72/10/1382907210.db2.gz OKICGMXWRZVLQI-CABCVRRESA-N 0 0 336.388 3.387 10 5 EGBERN Cn1cc(-c2ccccc2CNc2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC001162980458 1382935888 /nfs/dbraw/zinc/93/58/88/1382935888.db2.gz XOULFWOOCQFMLE-UHFFFAOYSA-N 0 0 343.774 3.078 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2CCO)cc1C ZINC001163127149 1382971234 /nfs/dbraw/zinc/97/12/34/1382971234.db2.gz KJQLFNHDNMEEHX-TZMCWYRMSA-N 0 0 336.388 3.043 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])[nH]n2)o1 ZINC001163409880 1383045861 /nfs/dbraw/zinc/04/58/61/1383045861.db2.gz AZTQIBPPYBKRFS-UHFFFAOYSA-N 0 0 330.275 3.278 10 5 EGBERN CCOc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC001163450534 1383054422 /nfs/dbraw/zinc/05/44/22/1383054422.db2.gz WFDZJWNPGCQYFY-LBPRGKRZSA-N 0 0 330.388 3.383 10 5 EGBERN COC(=O)[C@H](C)c1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001163487764 1383062516 /nfs/dbraw/zinc/06/25/16/1383062516.db2.gz BYOGJPJDFVNFHI-SNVBAGLBSA-N 0 0 340.339 3.491 10 5 EGBERN C[C@H](O)[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001163657129 1383096658 /nfs/dbraw/zinc/09/66/58/1383096658.db2.gz SNOCTOQCRYMODB-QFYYESIMSA-N 0 0 342.330 3.211 10 5 EGBERN COC(=O)N(C)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001163754116 1383118240 /nfs/dbraw/zinc/11/82/40/1383118240.db2.gz KZQQHNAQDVSAPG-UHFFFAOYSA-N 0 0 336.175 3.036 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc2[nH]ccc21 ZINC001163979255 1383142804 /nfs/dbraw/zinc/14/28/04/1383142804.db2.gz SYABOEFTXPMMBF-UHFFFAOYSA-N 0 0 345.380 3.092 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(C2(O)CCC2)CCC1 ZINC001164120513 1383158130 /nfs/dbraw/zinc/15/81/30/1383158130.db2.gz VLZQFAYJCUTKBU-UHFFFAOYSA-N 0 0 327.384 3.062 10 5 EGBERN CC[C@]1(C(=O)OC(C)(C)C)CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC001164270325 1383173521 /nfs/dbraw/zinc/17/35/21/1383173521.db2.gz FPKMKDXVQZNTGP-KRWDZBQOSA-N 0 0 335.404 3.328 10 5 EGBERN O=[N+]([O-])c1ccsc1Oc1cccnc1I ZINC001164383372 1383183542 /nfs/dbraw/zinc/18/35/42/1383183542.db2.gz JMUFAFCOGJJHHA-UHFFFAOYSA-N 0 0 348.121 3.448 10 5 EGBERN CCS(=O)(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001165531556 1383307798 /nfs/dbraw/zinc/30/77/98/1383307798.db2.gz QXNSHYCVCXRXST-UHFFFAOYSA-N 0 0 339.344 3.107 10 5 EGBERN O=[N+]([O-])c1ccnn1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001165537523 1383308956 /nfs/dbraw/zinc/30/89/56/1383308956.db2.gz PGENTPMRCTWCDZ-UHFFFAOYSA-N 0 0 340.126 3.196 10 5 EGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC[C@H]1CCCC1(F)F ZINC001165616093 1383315695 /nfs/dbraw/zinc/31/56/95/1383315695.db2.gz ZGCGZXFRVXXRNB-LLVKDONJSA-N 0 0 339.298 3.237 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)cc1Cl ZINC001298307376 1383390365 /nfs/dbraw/zinc/39/03/65/1383390365.db2.gz ZZTSVLXDTDXYRW-UHFFFAOYSA-N 0 0 346.730 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001298810501 1383432508 /nfs/dbraw/zinc/43/25/08/1383432508.db2.gz ZXIFMHMBNRHFQN-UHFFFAOYSA-N 0 0 341.367 3.443 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cncc(F)c1 ZINC001299211379 1383487175 /nfs/dbraw/zinc/48/71/75/1383487175.db2.gz ZHNRMQMBDRQKRY-SECBINFHSA-N 0 0 335.360 3.342 10 5 EGBERN C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(F)c1 ZINC001299933089 1383635525 /nfs/dbraw/zinc/63/55/25/1383635525.db2.gz IGQYWNBYIYXXIN-VIFPVBQESA-N 0 0 338.285 3.432 10 5 EGBERN CO/C(=C/c1ccccc1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933769 1383635599 /nfs/dbraw/zinc/63/55/99/1383635599.db2.gz WAAUAGYFCMNPJZ-FRKPEAEDSA-N 0 0 348.305 3.177 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001300116318 1383645152 /nfs/dbraw/zinc/64/51/52/1383645152.db2.gz HJIRLYUSRBFFCT-HIFRSBDPSA-N 0 0 340.807 3.255 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCc2ccc(F)cc21 ZINC001300158190 1383649306 /nfs/dbraw/zinc/64/93/06/1383649306.db2.gz YAQUWNYTIICEOT-LLVKDONJSA-N 0 0 343.358 3.118 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001301242142 1383702981 /nfs/dbraw/zinc/70/29/81/1383702981.db2.gz AKXDZHRYTWUGEG-XOKHGSTOSA-N 0 0 344.317 3.250 10 5 EGBERN C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001302899921 1383772247 /nfs/dbraw/zinc/77/22/47/1383772247.db2.gz LFKZDTIFPGKJNX-JTQLQIEISA-N 0 0 343.314 3.295 10 5 EGBERN C[C@@]1(C2CCCCC2)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001302916397 1383773187 /nfs/dbraw/zinc/77/31/87/1383773187.db2.gz MPTLHWIGNNLKEC-AWEZNQCLSA-N 0 0 326.784 3.156 10 5 EGBERN Nc1c(C(=O)NCCC[C@H]2C=CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001303272929 1383790521 /nfs/dbraw/zinc/79/05/21/1383790521.db2.gz FVMUJMKDTBDBMV-VIFPVBQESA-N 0 0 341.770 3.446 10 5 EGBERN CC(C)(C)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)s1 ZINC001303368119 1383795900 /nfs/dbraw/zinc/79/59/00/1383795900.db2.gz KSVBYOCPCXMVGR-UHFFFAOYSA-N 0 0 333.413 3.466 10 5 EGBERN O=C(C[C@H]1CC=CCC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528893 1383802926 /nfs/dbraw/zinc/80/29/26/1383802926.db2.gz HSMKYFPQOBFSRE-ZDUSSCGKSA-N 0 0 342.399 3.266 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001303656814 1383812126 /nfs/dbraw/zinc/81/21/26/1383812126.db2.gz IWNORSWOLCZOFC-IKUJJKIKSA-N 0 0 334.441 3.484 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(F)c(C=O)c1)c1ccccc1[N+](=O)[O-] ZINC001304194205 1383838659 /nfs/dbraw/zinc/83/86/59/1383838659.db2.gz SYPZHEHAADGTGO-NSHDSACASA-N 0 0 330.315 3.080 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001328827062 1388883029 /nfs/dbraw/zinc/88/30/29/1388883029.db2.gz IVRMOVPBIQQRLN-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN O=C(Nc1nc2c(o1)CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001305249865 1383859186 /nfs/dbraw/zinc/85/91/86/1383859186.db2.gz LCAKVWZMCGHVOJ-UHFFFAOYSA-N 0 0 337.282 3.192 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1Nc1ccc(OC3COC3)cc1)CCCC2 ZINC001307097287 1383939783 /nfs/dbraw/zinc/93/97/83/1383939783.db2.gz XAYMKBSJHYRMDG-UHFFFAOYSA-N 0 0 341.367 3.390 10 5 EGBERN CCC(CC)(CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(F)cc1 ZINC001307172675 1383950245 /nfs/dbraw/zinc/95/02/45/1383950245.db2.gz QVBRZLUCKIZUTD-UHFFFAOYSA-N 0 0 333.367 3.276 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCCc2nc3c(s2)CCC3)c(F)c1 ZINC001307205835 1383957006 /nfs/dbraw/zinc/95/70/06/1383957006.db2.gz WQPNUINNHPZVND-UHFFFAOYSA-N 0 0 325.340 3.473 10 5 EGBERN COc1ccc(F)cc1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001307208668 1383958069 /nfs/dbraw/zinc/95/80/69/1383958069.db2.gz NQTXXTVYOIKMDH-UHFFFAOYSA-N 0 0 342.330 3.340 10 5 EGBERN Cc1nc(N[C@@H](Cc2ccccc2)c2ccccn2)ncc1[N+](=O)[O-] ZINC001307225672 1383960600 /nfs/dbraw/zinc/96/06/00/1383960600.db2.gz IINZYCOMOJFGFL-INIZCTEOSA-N 0 0 335.367 3.484 10 5 EGBERN Cc1cc(N2CCC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])s1 ZINC001307235098 1383963046 /nfs/dbraw/zinc/96/30/46/1383963046.db2.gz SZZHLCLBDHZZRL-UHFFFAOYSA-N 0 0 339.417 3.164 10 5 EGBERN COc1ccc(CS(=O)(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC001307324515 1383971970 /nfs/dbraw/zinc/97/19/70/1383971970.db2.gz SSRQQNRGSJHRCE-UHFFFAOYSA-N 0 0 347.801 3.292 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OC/C=C\Cl ZINC001307369233 1383978645 /nfs/dbraw/zinc/97/86/45/1383978645.db2.gz AMDQECDRTUQYPV-UPHRSURJSA-N 0 0 337.513 3.397 10 5 EGBERN Cc1ncc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC001307403841 1383983778 /nfs/dbraw/zinc/98/37/78/1383983778.db2.gz JKFWHKJLVCPXPZ-UHFFFAOYSA-N 0 0 341.776 3.417 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@H](C)CO1 ZINC001307897796 1384052654 /nfs/dbraw/zinc/05/26/54/1384052654.db2.gz PHVMFVZDAULVRW-GXFFZTMASA-N 0 0 343.221 3.357 10 5 EGBERN C[C@H]1N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2C1(C)C ZINC001307928646 1384057973 /nfs/dbraw/zinc/05/79/73/1384057973.db2.gz OIDJVXMYHUKFCD-GFCCVEGCSA-N 0 0 339.395 3.380 10 5 EGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001307970257 1384066632 /nfs/dbraw/zinc/06/66/32/1384066632.db2.gz HEAWDBKQNYLWON-VIFPVBQESA-N 0 0 331.303 3.432 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001170859408 1384400262 /nfs/dbraw/zinc/40/02/62/1384400262.db2.gz UPGGHSOMNZWSNS-QGZVFWFLSA-N 0 0 331.347 3.371 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]1C1CCCC1 ZINC001313422856 1384417747 /nfs/dbraw/zinc/41/77/47/1384417747.db2.gz QMOCJYRUNKMZFM-CABCVRRESA-N 0 0 346.431 3.132 10 5 EGBERN CC(C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)=C1CCCC1 ZINC001313443784 1384421997 /nfs/dbraw/zinc/42/19/97/1384421997.db2.gz CDIGJKNJRNCYHF-UHFFFAOYSA-N 0 0 343.427 3.130 10 5 EGBERN C[C@](CO)(NC(=O)C=C1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001171452212 1384527330 /nfs/dbraw/zinc/52/73/30/1384527330.db2.gz NSWVLVZFOANRKV-LJQANCHMSA-N 0 0 346.427 3.445 10 5 EGBERN CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001317729651 1385428104 /nfs/dbraw/zinc/42/81/04/1385428104.db2.gz WJTVQKLEQWQLFU-HDICACEKSA-N 0 0 345.443 3.350 10 5 EGBERN CC(C)OC1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 ZINC001176488204 1385603547 /nfs/dbraw/zinc/60/35/47/1385603547.db2.gz CQGUQMAVHSASEF-UHFFFAOYSA-N 0 0 344.371 3.271 10 5 EGBERN CCOC(=O)Cc1cccc(N(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC001176891275 1385735396 /nfs/dbraw/zinc/73/53/96/1385735396.db2.gz CTHAXSZPEHGZEH-UHFFFAOYSA-N 0 0 334.397 3.398 10 5 EGBERN COc1ccc(OCCN2CC(F)(F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001176891394 1385735514 /nfs/dbraw/zinc/73/55/14/1385735514.db2.gz FVHUSMCLVLHLCG-NSHDSACASA-N 0 0 330.331 3.102 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cccc3c(C)nccc23)c1[N+](=O)[O-] ZINC001177503099 1385980724 /nfs/dbraw/zinc/98/07/24/1385980724.db2.gz GJKKQCNGUKEAIP-UHFFFAOYSA-N 0 0 339.355 3.379 10 5 EGBERN C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001177588405 1386001814 /nfs/dbraw/zinc/00/18/14/1386001814.db2.gz WYUZQVRHIICVQO-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cncc(C)c1Cl ZINC001319740441 1386276955 /nfs/dbraw/zinc/27/69/55/1386276955.db2.gz RCJUYDNMBFMXTH-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN COc1c(F)ccc(F)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875419 1386614382 /nfs/dbraw/zinc/61/43/82/1386614382.db2.gz VDNIFQBCBLASJW-UHFFFAOYSA-N 0 0 337.282 3.025 10 5 EGBERN Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001179875344 1386614654 /nfs/dbraw/zinc/61/46/54/1386614654.db2.gz RIJCUQBPBTWMPY-UHFFFAOYSA-N 0 0 349.774 3.465 10 5 EGBERN Cc1ccc(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)cc1 ZINC001321352239 1386883806 /nfs/dbraw/zinc/88/38/06/1386883806.db2.gz DWXKQKIDEAYWOG-NSCUHMNNSA-N 0 0 345.424 3.041 10 5 EGBERN O=C(N1CC[C@@H]2OCCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329754041 1389218840 /nfs/dbraw/zinc/21/88/40/1389218840.db2.gz IPKJOFOTNWJGCB-PBHICJAKSA-N 0 0 344.411 3.044 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(Cc3cccc4ccccc43)o2)n1 ZINC001331853082 1389888669 /nfs/dbraw/zinc/88/86/69/1389888669.db2.gz NPCLASZFDVEDLQ-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN C[C@@](CO)(NC(=O)CCC[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001332231495 1390057837 /nfs/dbraw/zinc/05/78/37/1390057837.db2.gz HKKHBAVUOZIVON-INIZCTEOSA-N 0 0 338.480 3.037 10 5 EGBERN CC(C)Oc1ncccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001332888136 1390209749 /nfs/dbraw/zinc/20/97/49/1390209749.db2.gz VXLOMFZTYSTBHE-UHFFFAOYSA-N 0 0 347.346 3.487 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001341298886 1390467820 /nfs/dbraw/zinc/46/78/20/1390467820.db2.gz AMDUNGDOJCIUHC-DFBGVHRSSA-N 0 0 348.399 3.140 10 5 EGBERN Cn1cc([C@H](NCc2csc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001342193762 1390583805 /nfs/dbraw/zinc/58/38/05/1390583805.db2.gz AATCEKUUBCSTRB-MRXNPFEDSA-N 0 0 328.397 3.269 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001343708516 1390732372 /nfs/dbraw/zinc/73/23/72/1390732372.db2.gz QYGKNUTXTMBMGB-UHFFFAOYSA-N 0 0 335.319 3.005 10 5 EGBERN O=C(O[C@H]1C[C@@H](OCC(F)F)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001344210949 1390771732 /nfs/dbraw/zinc/77/17/32/1390771732.db2.gz YUQCCGCSPGZGHA-RQJABVFESA-N 0 0 341.310 3.054 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001344620328 1390804024 /nfs/dbraw/zinc/80/40/24/1390804024.db2.gz JZBFHWUIAURPPU-MFKMUULPSA-N 0 0 339.779 3.281 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001344853324 1390819367 /nfs/dbraw/zinc/81/93/67/1390819367.db2.gz HGYYYFDUNURDDX-FZMZJTMJSA-N 0 0 329.356 3.295 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2cc(C)oc2C)c1 ZINC001346118695 1390909048 /nfs/dbraw/zinc/90/90/48/1390909048.db2.gz WGGIGJUPMMJWDY-LLVKDONJSA-N 0 0 332.356 3.442 10 5 EGBERN O=C(OC[C@@H]1CCc2cccnc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001346570415 1390955383 /nfs/dbraw/zinc/95/53/83/1390955383.db2.gz REQIOUZORVLLCE-UAGQMJEPSA-N 0 0 338.363 3.367 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001347026364 1390994272 /nfs/dbraw/zinc/99/42/72/1390994272.db2.gz HMSUTWYYIUGHDM-UHFFFAOYSA-N 0 0 348.277 3.055 10 5 EGBERN COC/C(C)=C\C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001347928226 1391147483 /nfs/dbraw/zinc/14/74/83/1391147483.db2.gz LKINXCLXELYBJE-POHAHGRESA-N 0 0 333.369 3.250 10 5 EGBERN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001348034560 1391163596 /nfs/dbraw/zinc/16/35/96/1391163596.db2.gz CLELEXMAZVSEAP-STQMWFEESA-N 0 0 346.412 3.387 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001348045414 1391164730 /nfs/dbraw/zinc/16/47/30/1391164730.db2.gz HRLQUTWBIXXGQA-UHFFFAOYSA-N 0 0 347.289 3.322 10 5 EGBERN C[C@H](C(=O)NC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001348269615 1391196765 /nfs/dbraw/zinc/19/67/65/1391196765.db2.gz XZOGWJABHGQAOU-XHDPSFHLSA-N 0 0 336.363 3.055 10 5 EGBERN O=C(Cn1ccc(C(F)F)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001348438080 1391219284 /nfs/dbraw/zinc/21/92/84/1391219284.db2.gz FOAIRROPFKKWDB-UHFFFAOYSA-N 0 0 330.678 3.021 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001349056311 1391299501 /nfs/dbraw/zinc/29/95/01/1391299501.db2.gz JEIXVXLOBVBORB-DGCLKSJQSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2C2CCCCC2)n1 ZINC001349620554 1391345933 /nfs/dbraw/zinc/34/59/33/1391345933.db2.gz PYWZPGOEEFEEDN-UHFFFAOYSA-N 0 0 329.360 3.252 10 5 EGBERN CSc1cccc(C(=O)OC[C@]23CCC[C@H]2OCC3)c1[N+](=O)[O-] ZINC001349675051 1391351995 /nfs/dbraw/zinc/35/19/95/1391351995.db2.gz BMUGALSMIBANLK-CZUORRHYSA-N 0 0 337.397 3.433 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csnn2)cc1 ZINC001349910580 1391383736 /nfs/dbraw/zinc/38/37/36/1391383736.db2.gz KYURKSXGCZDBQU-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1 ZINC001350121730 1391415955 /nfs/dbraw/zinc/41/59/55/1391415955.db2.gz VGLABMBXBGZWHB-UHFFFAOYSA-N 0 0 334.372 3.428 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001350145436 1391420781 /nfs/dbraw/zinc/42/07/81/1391420781.db2.gz XFQUDURBEKDZQZ-UKRRQHHQSA-N 0 0 327.340 3.281 10 5 EGBERN CC[C@@](C)(O)CCOC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001350332033 1391448695 /nfs/dbraw/zinc/44/86/95/1391448695.db2.gz AUUYITOCIJIWPA-MRXNPFEDSA-N 0 0 325.361 3.090 10 5 EGBERN Cc1cc(C(F)(F)F)nc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001350385639 1391456615 /nfs/dbraw/zinc/45/66/15/1391456615.db2.gz CJOCJXMZDPZLMJ-UHFFFAOYSA-N 0 0 344.224 3.103 10 5 EGBERN O=C(Cc1cnn2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001350395768 1391458497 /nfs/dbraw/zinc/45/84/97/1391458497.db2.gz BOVZKWDDIOHHKO-UHFFFAOYSA-N 0 0 330.731 3.077 10 5 EGBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnc1F ZINC001350424075 1391462329 /nfs/dbraw/zinc/46/23/29/1391462329.db2.gz UDCCGRAPVVCXAX-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN COc1ccc(CCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001350470288 1391468090 /nfs/dbraw/zinc/46/80/90/1391468090.db2.gz VGEYQQSOLYTCEO-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN Cc1cccc(OCCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001350646603 1391498420 /nfs/dbraw/zinc/49/84/20/1391498420.db2.gz MCILDUFINKIATF-MSOLQXFVSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnco3)cc2)c1C ZINC001350877065 1391549259 /nfs/dbraw/zinc/54/92/59/1391549259.db2.gz AKFNZXRKBAJJCN-UHFFFAOYSA-N 0 0 339.307 3.481 10 5 EGBERN COc1ccccc1CN(C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001350898578 1391553317 /nfs/dbraw/zinc/55/33/17/1391553317.db2.gz AZOKZNYZSJSJGW-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN CC(=O)c1csc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001350976923 1391571785 /nfs/dbraw/zinc/57/17/85/1391571785.db2.gz SRLMGCTWLOAECS-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001351311001 1391624820 /nfs/dbraw/zinc/62/48/20/1391624820.db2.gz INQCJFZKTJLXMT-OAHLLOKOSA-N 0 0 339.351 3.107 10 5 EGBERN C[C@H](COCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC001351328553 1391627604 /nfs/dbraw/zinc/62/76/04/1391627604.db2.gz OQFKBFHHBMITLA-GFCCVEGCSA-N 0 0 332.331 3.493 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2cccs2)C1 ZINC001351717268 1391678094 /nfs/dbraw/zinc/67/80/94/1391678094.db2.gz PJIVYGZUEAKIBS-UHFFFAOYSA-N 0 0 331.397 3.013 10 5 EGBERN CC(C)(C(=O)Nc1ccc2sccc2c1)n1cc([N+](=O)[O-])cn1 ZINC001351888576 1391710884 /nfs/dbraw/zinc/71/08/84/1391710884.db2.gz ZNHLUDLNQOHAFB-UHFFFAOYSA-N 0 0 330.369 3.380 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC001352124593 1391762165 /nfs/dbraw/zinc/76/21/65/1391762165.db2.gz MHPHWVBDRKCIMK-DAXOMENPSA-N 0 0 326.352 3.321 10 5 EGBERN Cc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnc1F ZINC001352439686 1391797529 /nfs/dbraw/zinc/79/75/29/1391797529.db2.gz GIFCFYCNIMVSIQ-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN CNC(=O)Nc1cccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001352600898 1391820070 /nfs/dbraw/zinc/82/00/70/1391820070.db2.gz RFFFUSULOXCBLY-UHFFFAOYSA-N 0 0 342.355 3.215 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001353682268 1392066858 /nfs/dbraw/zinc/06/68/58/1392066858.db2.gz VYCBPAPMMZEWNR-UHFFFAOYSA-N 0 0 347.352 3.155 10 5 EGBERN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)OCCc2ccccc21 ZINC001354576307 1392153726 /nfs/dbraw/zinc/15/37/26/1392153726.db2.gz JKLLUNLCWKVPJN-KRWDZBQOSA-N 0 0 348.305 3.300 10 5 EGBERN CCn1cc(Cl)cc1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001355045065 1392188777 /nfs/dbraw/zinc/18/87/77/1392188777.db2.gz WTSXVQRLJFNCKH-UHFFFAOYSA-N 0 0 337.763 3.008 10 5 EGBERN CN(CCNC(=O)C1(C2CCC2)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480897024 1393006921 /nfs/dbraw/zinc/00/69/21/1393006921.db2.gz ZXQYGSGSXQNETM-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN Cc1cccc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC001480942135 1393037176 /nfs/dbraw/zinc/03/71/76/1393037176.db2.gz WXIGGTGBZSBJIQ-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CC[C@@H]1COC(C)(C)CN1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001687732860 1396474107 /nfs/dbraw/zinc/47/41/07/1396474107.db2.gz PFQGMVVOJUSBOL-ZIAGYGMSSA-N 0 0 349.431 3.297 10 5 EGBERN O=C(NCCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)C1=CCCC1 ZINC001689983248 1404241072 /nfs/dbraw/zinc/24/10/72/1404241072.db2.gz HKEFNXRHSRXVEZ-UHFFFAOYSA-N 0 0 349.456 3.237 10 5 EGBERN CCC(CC)(CC)C(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001690213323 1404420478 /nfs/dbraw/zinc/42/04/78/1404420478.db2.gz VDHLVLUIUQEDCP-UHFFFAOYSA-N 0 0 336.436 3.067 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)C ZINC001709684904 1417446233 /nfs/dbraw/zinc/44/62/33/1417446233.db2.gz OCWIEMBZYVMQHO-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN CCC(CC)CC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716750447 1420902082 /nfs/dbraw/zinc/90/20/82/1420902082.db2.gz CDPPWUBNDGBUML-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001731034899 1427187411 /nfs/dbraw/zinc/18/74/11/1427187411.db2.gz OUJIMPXJWRKLBQ-LLVKDONJSA-N 0 0 347.444 3.203 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CC1(C)C ZINC001744550305 1439664213 /nfs/dbraw/zinc/66/42/13/1439664213.db2.gz YGHSZIKPTLQAAJ-CQSZACIVSA-N 0 0 343.431 3.431 10 5 EGBERN Cc1cc(F)ccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000368326127 168343313 /nfs/dbraw/zinc/34/33/13/168343313.db2.gz BYPOABVLOUHTHI-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000190105978 529536867 /nfs/dbraw/zinc/53/68/67/529536867.db2.gz CSJHBAYULTZMRM-DOMZBBRYSA-N 0 0 349.431 3.103 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000014006244 201923870 /nfs/dbraw/zinc/92/38/70/201923870.db2.gz SYVZSIBNNIFNLM-GFCCVEGCSA-N 0 0 330.340 3.318 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000103326484 219292171 /nfs/dbraw/zinc/29/21/71/219292171.db2.gz SNGDOBDBSGSZQL-CABCVRRESA-N 0 0 347.415 3.173 10 5 EGBERN COc1cc(NCC2(CCO)CCCCC2)c([N+](=O)[O-])cc1F ZINC000128586312 222967420 /nfs/dbraw/zinc/96/74/20/222967420.db2.gz WVFILUPQJRZGOM-UHFFFAOYSA-N 0 0 326.368 3.487 10 5 EGBERN CCN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000037983974 202077730 /nfs/dbraw/zinc/07/77/30/202077730.db2.gz VPKDMFXBPQRDEI-QMMMGPOBSA-N 0 0 335.187 3.399 10 5 EGBERN O=C(c1ccccc1)N1CCC[C@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC000036315202 202321014 /nfs/dbraw/zinc/32/10/14/202321014.db2.gz JTCVJXWQUFETKL-SFHVURJKSA-N 0 0 340.379 3.416 10 5 EGBERN CC(=O)c1cc2c(cc1NC(=O)c1cccc(C)c1[N+](=O)[O-])OCO2 ZINC000036799127 202332580 /nfs/dbraw/zinc/33/25/80/202332580.db2.gz CGRCLPQGYKSWKG-UHFFFAOYSA-N 0 0 342.307 3.087 10 5 EGBERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000191934433 239388897 /nfs/dbraw/zinc/38/88/97/239388897.db2.gz OCCDTTVHILWELY-WCBMZHEXSA-N 0 0 343.177 3.111 10 5 EGBERN CCC[C@]1(COC)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000193753052 240296271 /nfs/dbraw/zinc/29/62/71/240296271.db2.gz AOKDLYDQOKJEJG-GOSISDBHSA-N 0 0 345.399 3.497 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000000484329 201479637 /nfs/dbraw/zinc/47/96/37/201479637.db2.gz RJSVSHJXLLLXQS-UHFFFAOYSA-N 0 0 334.420 3.436 10 5 EGBERN Cn1c(CNc2ccc3ncccc3c2[N+](=O)[O-])nnc1C1CCC1 ZINC000132859550 223369084 /nfs/dbraw/zinc/36/90/84/223369084.db2.gz KWDZLYSLUYOPLE-UHFFFAOYSA-N 0 0 338.371 3.151 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000372114444 242042700 /nfs/dbraw/zinc/04/27/00/242042700.db2.gz SLJQPFUHEIYXKR-QMTHXVAHSA-N 0 0 332.381 3.121 10 5 EGBERN Cn1cnnc1CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000069775163 203047349 /nfs/dbraw/zinc/04/73/49/203047349.db2.gz KZAFCBAIKNWRGV-UHFFFAOYSA-N 0 0 349.700 3.050 10 5 EGBERN CCS[C@H]1CCCC[C@@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000075105376 203301089 /nfs/dbraw/zinc/30/10/89/203301089.db2.gz MMTIGZNZAWCXEH-RYUDHWBXSA-N 0 0 348.428 3.079 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075528074 203316874 /nfs/dbraw/zinc/31/68/74/203316874.db2.gz UAEMSPSQWKFOAY-VXNVDRBHSA-N 0 0 334.319 3.230 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000085333753 203543224 /nfs/dbraw/zinc/54/32/24/203543224.db2.gz ZUNSAGADMKKBJY-GFCCVEGCSA-N 0 0 339.417 3.481 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000375042369 168794904 /nfs/dbraw/zinc/79/49/04/168794904.db2.gz KYAXLCVGMVVZDM-SFHVURJKSA-N 0 0 342.351 3.081 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000105856452 204170945 /nfs/dbraw/zinc/17/09/45/204170945.db2.gz AWEDXTJKOPMGTM-ZDUSSCGKSA-N 0 0 348.790 3.230 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000131604063 205296674 /nfs/dbraw/zinc/29/66/74/205296674.db2.gz KPXBRFUJWRYUAM-UHFFFAOYSA-N 0 0 325.415 3.126 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000005685366 205774925 /nfs/dbraw/zinc/77/49/25/205774925.db2.gz UEDPMNXCBOHZOU-UHFFFAOYSA-N 0 0 327.296 3.096 10 5 EGBERN COc1ccc(N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000264181132 246148569 /nfs/dbraw/zinc/14/85/69/246148569.db2.gz LQCVZMSLTKCTJS-NSHDSACASA-N 0 0 344.371 3.080 10 5 EGBERN Cc1nn(C)c(Nc2cccc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000265119820 247221347 /nfs/dbraw/zinc/22/13/47/247221347.db2.gz JVCDNWHKNICSBO-UHFFFAOYSA-N 0 0 330.266 3.321 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000378270149 169093929 /nfs/dbraw/zinc/09/39/29/169093929.db2.gz ZHEZJKUDGGUHEE-UHFFFAOYSA-N 0 0 344.392 3.100 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000378619877 169148098 /nfs/dbraw/zinc/14/80/98/169148098.db2.gz RSODVZADINPUEX-SJKOYZFVSA-N 0 0 336.363 3.151 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173330805 206915785 /nfs/dbraw/zinc/91/57/85/206915785.db2.gz QRSZDYLYLLWNDL-UHFFFAOYSA-N 0 0 327.384 3.014 10 5 EGBERN Cc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000176739724 207256017 /nfs/dbraw/zinc/25/60/17/207256017.db2.gz RHNBKKSIHNOXPC-LBPRGKRZSA-N 0 0 332.360 3.102 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000176765861 207258958 /nfs/dbraw/zinc/25/89/58/207258958.db2.gz COCBRFPACVYFEG-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000177356800 207325641 /nfs/dbraw/zinc/32/56/41/207325641.db2.gz HQEAPAXYFVSUQD-OLZOCXBDSA-N 0 0 326.443 3.011 10 5 EGBERN COC[C@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184424731 533046203 /nfs/dbraw/zinc/04/62/03/533046203.db2.gz JMRHQQZSJVNUIB-TYZQSYOASA-N 0 0 344.367 3.403 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1C ZINC000187905618 533273853 /nfs/dbraw/zinc/27/38/53/533273853.db2.gz ZWOUFPKIQPYCQZ-MFKMUULPSA-N 0 0 334.397 3.307 10 5 EGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC000062581359 132805630 /nfs/dbraw/zinc/80/56/30/132805630.db2.gz VHVJGUNHJNHOFZ-AWEZNQCLSA-N 0 0 340.383 3.153 10 5 EGBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000014575380 140768025 /nfs/dbraw/zinc/76/80/25/140768025.db2.gz OQWARSSHSMHVEQ-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000042812265 140822656 /nfs/dbraw/zinc/82/26/56/140822656.db2.gz MJICFMJYADEYBL-SNVBAGLBSA-N 0 0 335.310 3.433 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1nccs1)C(F)(F)F ZINC000339458610 141115297 /nfs/dbraw/zinc/11/52/97/141115297.db2.gz VNXHLUAYONXGMS-LLVKDONJSA-N 0 0 347.318 3.453 10 5 EGBERN Cc1ccc2[nH]c(CNc3ncnc4sc([N+](=O)[O-])cc43)nc2c1 ZINC000342791013 141148099 /nfs/dbraw/zinc/14/80/99/141148099.db2.gz QZAUKDKEWKIETQ-UHFFFAOYSA-N 0 0 340.368 3.396 10 5 EGBERN Cc1[nH]c2ccc(CNC(=O)c3cc([N+](=O)[O-])cnc3C)cc2c1C ZINC000347905693 141213797 /nfs/dbraw/zinc/21/37/97/141213797.db2.gz SZDXIOJMOAQDLU-UHFFFAOYSA-N 0 0 338.367 3.326 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000356298598 141338532 /nfs/dbraw/zinc/33/85/32/141338532.db2.gz MFGRMMSZJMUNDA-MRXNPFEDSA-N 0 0 338.367 3.281 10 5 EGBERN CSc1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000356302766 141338849 /nfs/dbraw/zinc/33/88/49/141338849.db2.gz RBGKXFRRSZMGBF-UHFFFAOYSA-N 0 0 334.319 3.389 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357937073 141361905 /nfs/dbraw/zinc/36/19/05/141361905.db2.gz RZIMRRHZPOSHMO-OAHLLOKOSA-N 0 0 344.415 3.120 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CCO2)o1 ZINC000127469674 143953096 /nfs/dbraw/zinc/95/30/96/143953096.db2.gz XOIZEJQXKLJQOE-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000172415158 144021089 /nfs/dbraw/zinc/02/10/89/144021089.db2.gz VLCWYWISHFPYAX-HNNXBMFYSA-N 0 0 344.415 3.108 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000172747877 144027450 /nfs/dbraw/zinc/02/74/50/144027450.db2.gz IRXLIIQRVVCFBC-SECBINFHSA-N 0 0 338.360 3.301 10 5 EGBERN Cc1c(CNc2ccccc2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000172857678 144030471 /nfs/dbraw/zinc/03/04/71/144030471.db2.gz IUTSUYQSGSZTSB-UHFFFAOYSA-N 0 0 325.368 3.408 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000173371452 144040082 /nfs/dbraw/zinc/04/00/82/144040082.db2.gz WBGDLIGQIUUOMQ-INIZCTEOSA-N 0 0 328.368 3.275 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000175442206 144065456 /nfs/dbraw/zinc/06/54/56/144065456.db2.gz YNHBMDSPHBPFNY-JTQLQIEISA-N 0 0 347.396 3.270 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000184373649 144092074 /nfs/dbraw/zinc/09/20/74/144092074.db2.gz XEYUJGQMJZGJGY-SFHVURJKSA-N 0 0 348.362 3.091 10 5 EGBERN Cc1ccc([C@H](C)NCc2cc(-c3cnn(C)c3)no2)cc1[N+](=O)[O-] ZINC000185056269 144103967 /nfs/dbraw/zinc/10/39/67/144103967.db2.gz JRAQIUMDKWJCKO-LBPRGKRZSA-N 0 0 341.371 3.143 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185245895 144108276 /nfs/dbraw/zinc/10/82/76/144108276.db2.gz KPEQAEDSHYISBB-NJAFHUGGSA-N 0 0 346.427 3.334 10 5 EGBERN Cc1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000344812932 144226751 /nfs/dbraw/zinc/22/67/51/144226751.db2.gz NVTQORVSBIEJGO-UHFFFAOYSA-N 0 0 325.317 3.238 10 5 EGBERN CC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351730554 144297955 /nfs/dbraw/zinc/29/79/55/144297955.db2.gz PUFVEZWPTAUKBE-HNNXBMFYSA-N 0 0 338.358 3.464 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000363873113 144372993 /nfs/dbraw/zinc/37/29/93/144372993.db2.gz QIFYKIDQAZZAAK-CZUORRHYSA-N 0 0 325.368 3.256 10 5 EGBERN CN(C(=O)c1csc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000341169003 155205796 /nfs/dbraw/zinc/20/57/96/155205796.db2.gz HAVYYCGWBYONIC-UHFFFAOYSA-N 0 0 331.275 3.347 10 5 EGBERN O=C(NCCc1ccc2ccccc2n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341383353 155260076 /nfs/dbraw/zinc/26/00/76/155260076.db2.gz VFALZFFVHURNCF-UHFFFAOYSA-N 0 0 339.326 3.255 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000116290322 152054659 /nfs/dbraw/zinc/05/46/59/152054659.db2.gz GTILQAOJABEDKB-SWLSCSKDSA-N 0 0 329.356 3.352 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275827 152056074 /nfs/dbraw/zinc/05/60/74/152056074.db2.gz QTNAGMLFIWWNPF-AWEZNQCLSA-N 0 0 339.823 3.129 10 5 EGBERN Cc1csc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117648297 152109617 /nfs/dbraw/zinc/10/96/17/152109617.db2.gz MLKUZNANWNYVJT-VIFPVBQESA-N 0 0 339.804 3.433 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121402524 152348818 /nfs/dbraw/zinc/34/88/18/152348818.db2.gz OIBRMIAZUXPIAO-OAHLLOKOSA-N 0 0 341.367 3.330 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000153795017 152558479 /nfs/dbraw/zinc/55/84/79/152558479.db2.gz UFTBVACHEHINQQ-GDBMZVCRSA-N 0 0 343.387 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174543337 152867133 /nfs/dbraw/zinc/86/71/33/152867133.db2.gz CSXLMIRJTWYUAU-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN CCOc1cc(OCc2nc(-c3ccoc3)no2)ccc1[N+](=O)[O-] ZINC000188609228 153025001 /nfs/dbraw/zinc/02/50/01/153025001.db2.gz BXOYCOONELVOQE-UHFFFAOYSA-N 0 0 331.284 3.216 10 5 EGBERN CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000189193951 153055217 /nfs/dbraw/zinc/05/52/17/153055217.db2.gz JPOKTFHQJPLOER-UHFFFAOYSA-N 0 0 332.400 3.088 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190197597 153122998 /nfs/dbraw/zinc/12/29/98/153122998.db2.gz ATZGPFZLHOHALL-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN COc1ccc2c(c1NC(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000190849748 153162647 /nfs/dbraw/zinc/16/26/47/153162647.db2.gz NGTDHOUDFWFOLJ-UHFFFAOYSA-N 0 0 327.340 3.048 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000193699561 153301353 /nfs/dbraw/zinc/30/13/53/153301353.db2.gz GZABODXKASGYQU-HNNXBMFYSA-N 0 0 343.358 3.285 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000337328196 154285888 /nfs/dbraw/zinc/28/58/88/154285888.db2.gz QZEFFMVNEKFXSK-KRWDZBQOSA-N 0 0 349.337 3.092 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000337601877 154439126 /nfs/dbraw/zinc/43/91/26/154439126.db2.gz JYCHUHOEOIOSII-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000339153016 154725279 /nfs/dbraw/zinc/72/52/79/154725279.db2.gz TUYBRZXMQLKPIT-GFCCVEGCSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1ccc2nc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)ccc2c1 ZINC000345395386 156085267 /nfs/dbraw/zinc/08/52/67/156085267.db2.gz JMHNBTYPOCIPHR-UHFFFAOYSA-N 0 0 348.362 3.045 10 5 EGBERN Cc1cc(Cc2noc(-c3ccnc4ccncc43)n2)ccc1[N+](=O)[O-] ZINC000346864108 156168169 /nfs/dbraw/zinc/16/81/69/156168169.db2.gz FNOIFWKLFLQTED-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000352771276 156476700 /nfs/dbraw/zinc/47/67/00/156476700.db2.gz NRYWDFKRTNWDMW-BBRMVZONSA-N 0 0 339.395 3.443 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccoc1C(F)(F)F ZINC000354672344 156591277 /nfs/dbraw/zinc/59/12/77/156591277.db2.gz KTWVQDNYJRDVKG-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN COCCC1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000362018810 156984249 /nfs/dbraw/zinc/98/42/49/156984249.db2.gz TZOVUMRPYBHOJN-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000073572726 161672957 /nfs/dbraw/zinc/67/29/57/161672957.db2.gz PUUFLMSBKUAGRF-UHFFFAOYSA-N 0 0 326.312 3.122 10 5 EGBERN COc1ccc2nc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)ccc2c1 ZINC000073865896 161677119 /nfs/dbraw/zinc/67/71/19/161677119.db2.gz SLKXKZQNUHVANZ-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000105848936 162059507 /nfs/dbraw/zinc/05/95/07/162059507.db2.gz IXSVRPQFSVZJCC-GFCCVEGCSA-N 0 0 348.428 3.292 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cccc([C@H](C)OC)c2)c1[N+](=O)[O-] ZINC000109621810 162107920 /nfs/dbraw/zinc/10/79/20/162107920.db2.gz PJSYSJOVDCJNFZ-JTQLQIEISA-N 0 0 332.360 3.230 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110445128 162127466 /nfs/dbraw/zinc/12/74/66/162127466.db2.gz PBZDFVOWHMJWKW-JKSUJKDBSA-N 0 0 339.395 3.317 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000112001962 162159031 /nfs/dbraw/zinc/15/90/31/162159031.db2.gz VMYVWYMHLNDCEM-CQSZACIVSA-N 0 0 327.384 3.002 10 5 EGBERN Cc1ccc(NC(=O)c2cnc(-c3cnn(C)c3)s2)cc1[N+](=O)[O-] ZINC000112164202 162164025 /nfs/dbraw/zinc/16/40/25/162164025.db2.gz CJOQWRKHTMIHQJ-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC[C@H](NC(=O)N1CCCCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000354144613 165973675 /nfs/dbraw/zinc/97/36/75/165973675.db2.gz UTGLZJHHBIJGHN-WBVHZDCISA-N 0 0 349.431 3.383 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000129264805 162351913 /nfs/dbraw/zinc/35/19/13/162351913.db2.gz VAHXGUOGVAWLLE-WBMJQRKESA-N 0 0 326.352 3.198 10 5 EGBERN Cc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130925115 162384279 /nfs/dbraw/zinc/38/42/79/162384279.db2.gz BPRCFHINNGQYNS-STQMWFEESA-N 0 0 329.404 3.243 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000131393202 162399638 /nfs/dbraw/zinc/39/96/38/162399638.db2.gz KVPLUWAFHJMQRL-QFIPXVFZSA-N 0 0 338.410 3.096 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000338701143 163323366 /nfs/dbraw/zinc/32/33/66/163323366.db2.gz NQFNVAQJEQWRPH-UHFFFAOYSA-N 0 0 339.355 3.043 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)on1 ZINC000338869473 163369005 /nfs/dbraw/zinc/36/90/05/163369005.db2.gz IEQUPMHXCBYKEQ-OAHLLOKOSA-N 0 0 340.339 3.350 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncn2)no1 ZINC000339069652 163453850 /nfs/dbraw/zinc/45/38/50/163453850.db2.gz KBGFEVGIMYMBLY-QMMMGPOBSA-N 0 0 347.718 3.228 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000342588860 163917481 /nfs/dbraw/zinc/91/74/81/163917481.db2.gz CGDJYIKFRZFTCO-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nccs2)c1 ZINC000343748497 164025492 /nfs/dbraw/zinc/02/54/92/164025492.db2.gz ZRTHJLVQBXAZSO-JTQLQIEISA-N 0 0 335.385 3.078 10 5 EGBERN Cc1nn([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000343819784 164043216 /nfs/dbraw/zinc/04/32/16/164043216.db2.gz NTFFIHQFXMLTHI-OAHLLOKOSA-N 0 0 346.362 3.224 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(O[C@@H]2CCOC2)c1 ZINC000343919453 164066251 /nfs/dbraw/zinc/06/62/51/164066251.db2.gz XTAJDXJATRGBBI-OAHLLOKOSA-N 0 0 329.356 3.078 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)no1 ZINC000344220958 164130026 /nfs/dbraw/zinc/13/00/26/164130026.db2.gz PPRINTSVACMKLS-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344261159 164140139 /nfs/dbraw/zinc/14/01/39/164140139.db2.gz WQLYYTJBPILPJV-UHFFFAOYSA-N 0 0 335.238 3.462 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C(F)F ZINC000344404256 164170699 /nfs/dbraw/zinc/17/06/99/164170699.db2.gz WLRZPOPMJOQUSI-GFCCVEGCSA-N 0 0 334.269 3.062 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000344596793 164196081 /nfs/dbraw/zinc/19/60/81/164196081.db2.gz WJKPQDVHFDYDHJ-UHFFFAOYSA-N 0 0 338.323 3.373 10 5 EGBERN CC(=O)N(C)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000345703282 164248277 /nfs/dbraw/zinc/24/82/77/164248277.db2.gz YEEUEIDMBYEWIM-UHFFFAOYSA-N 0 0 338.323 3.295 10 5 EGBERN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000347140816 164450598 /nfs/dbraw/zinc/45/05/98/164450598.db2.gz HFGJKZFLDKNPRP-JTQLQIEISA-N 0 0 330.315 3.428 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1ccccc1 ZINC000354873847 166052468 /nfs/dbraw/zinc/05/24/68/166052468.db2.gz CGYVLLOKJNSRFO-HNNXBMFYSA-N 0 0 329.356 3.148 10 5 EGBERN Cn1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c1 ZINC000347534138 164516564 /nfs/dbraw/zinc/51/65/64/164516564.db2.gz OWACHYIICULBEI-UHFFFAOYSA-N 0 0 336.254 3.252 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351677865 165129084 /nfs/dbraw/zinc/12/90/84/165129084.db2.gz YSPWPENADBJXKV-QWQCLYJRSA-N 0 0 340.383 3.089 10 5 EGBERN COc1cc(COc2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000351913912 165147003 /nfs/dbraw/zinc/14/70/03/165147003.db2.gz XFYWIHURINPVCO-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCc1nc(-c2ccoc2)no1 ZINC000352035218 165202057 /nfs/dbraw/zinc/20/20/57/165202057.db2.gz NPJWIIFXQFKCGO-UHFFFAOYSA-N 0 0 330.300 3.249 10 5 EGBERN COCCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352034407 165202383 /nfs/dbraw/zinc/20/23/83/165202383.db2.gz AYRIAIHBFCBUFM-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN Cc1nn(Cc2cccc(-n3cccn3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000352332477 165347007 /nfs/dbraw/zinc/34/70/07/165347007.db2.gz DFMANXXLNLJOOX-UHFFFAOYSA-N 0 0 333.351 3.487 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1nc(-c2cccs2)no1 ZINC000352352388 165358649 /nfs/dbraw/zinc/35/86/49/165358649.db2.gz HXGSWVPDUGZADD-UHFFFAOYSA-N 0 0 336.398 3.400 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000355054110 166095019 /nfs/dbraw/zinc/09/50/19/166095019.db2.gz IWYYMKMZUCMHMG-CQSZACIVSA-N 0 0 348.334 3.183 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](OC)C(F)(F)F ZINC000353927342 165923426 /nfs/dbraw/zinc/92/34/26/165923426.db2.gz DHYTUGRKSIGZRW-LBPRGKRZSA-N 0 0 349.309 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000355161504 166120043 /nfs/dbraw/zinc/12/00/43/166120043.db2.gz IRGPQICAJYCLCL-XIKOKIGWSA-N 0 0 334.416 3.210 10 5 EGBERN CCC(CC)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccs1 ZINC000355491591 166219705 /nfs/dbraw/zinc/21/97/05/166219705.db2.gz IJSCLJNSUWNHDE-ZDUSSCGKSA-N 0 0 336.417 3.297 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000355497103 166221945 /nfs/dbraw/zinc/22/19/45/166221945.db2.gz RXSZOKSWMZGPEU-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN CCOc1ccc(-c2nc(Cc3cscn3)no2)cc1[N+](=O)[O-] ZINC000355780019 166306329 /nfs/dbraw/zinc/30/63/29/166306329.db2.gz QPGHKIZZWHGYMI-UHFFFAOYSA-N 0 0 332.341 3.091 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4cscn4)no3)c2c1 ZINC000355785342 166308532 /nfs/dbraw/zinc/30/85/32/166308532.db2.gz BJAKTYDCRGIFCG-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN Cc1nnc(-c2cccc(NCc3csc([N+](=O)[O-])c3)c2)n1C ZINC000355819897 166319916 /nfs/dbraw/zinc/31/99/16/166319916.db2.gz NBYYJFODDJLIHV-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN Cc1cccnc1-c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000355835731 166322941 /nfs/dbraw/zinc/32/29/41/166322941.db2.gz BXKAXMCHJUMPPT-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(Cc3cccc4ccccc43)no2)n1 ZINC000355841274 166324415 /nfs/dbraw/zinc/32/44/15/166324415.db2.gz MFKRHFLIEFYLNP-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccc(C)nc3)no2)cc1[N+](=O)[O-] ZINC000355978867 166364702 /nfs/dbraw/zinc/36/47/02/166364702.db2.gz INDAGFXODDOIMF-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN CC[C@@H]1C[C@@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000358905734 167000683 /nfs/dbraw/zinc/00/06/83/167000683.db2.gz NIDYHVUAOJNFDX-DVOMOZLQSA-N 0 0 332.400 3.468 10 5 EGBERN COc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000358911616 167002311 /nfs/dbraw/zinc/00/23/11/167002311.db2.gz WISRNNZDBMYLLW-UHFFFAOYSA-N 0 0 338.266 3.457 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359063808 167055318 /nfs/dbraw/zinc/05/53/18/167055318.db2.gz GBWQVFSNVCOHGM-SWLSCSKDSA-N 0 0 335.404 3.255 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359063887 167055431 /nfs/dbraw/zinc/05/54/31/167055431.db2.gz UJKVJXXKELFVGA-AWEZNQCLSA-N 0 0 345.399 3.497 10 5 EGBERN COc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1NC(C)=O ZINC000359079527 167060448 /nfs/dbraw/zinc/06/04/48/167060448.db2.gz BRYNCVWXVNPQJU-UHFFFAOYSA-N 0 0 330.344 3.317 10 5 EGBERN COCCCN(Cc1ccncc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359098331 167066106 /nfs/dbraw/zinc/06/61/06/167066106.db2.gz RKAWWBUPFLLODL-UHFFFAOYSA-N 0 0 330.388 3.045 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000359180187 167089473 /nfs/dbraw/zinc/08/94/73/167089473.db2.gz XRISVNCAKBAHPO-NSHDSACASA-N 0 0 346.387 3.009 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2ccccc2n1 ZINC000359292351 167116978 /nfs/dbraw/zinc/11/69/78/167116978.db2.gz DSDPMGSSZBMOFY-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1noc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000359368204 167138273 /nfs/dbraw/zinc/13/82/73/167138273.db2.gz ZELJSJLLSTULHQ-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN CCC(=O)c1ccc(NCc2cccnc2N(C)C)c([N+](=O)[O-])c1 ZINC000359445976 167158387 /nfs/dbraw/zinc/15/83/87/167158387.db2.gz HMDYNCSZZFXTGV-UHFFFAOYSA-N 0 0 328.372 3.261 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000359449438 167159023 /nfs/dbraw/zinc/15/90/23/167159023.db2.gz JXCGJLMASUQGQC-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN CC(C)Oc1ncccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000359589211 167201727 /nfs/dbraw/zinc/20/17/27/167201727.db2.gz QLTMHFSYXVTGSJ-UHFFFAOYSA-N 0 0 346.339 3.223 10 5 EGBERN CC(C)(NC(=O)NCCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000360363142 167312092 /nfs/dbraw/zinc/31/20/92/167312092.db2.gz JNQRRFNHCOFYQK-UHFFFAOYSA-N 0 0 348.428 3.218 10 5 EGBERN COc1cc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000360515227 167346579 /nfs/dbraw/zinc/34/65/79/167346579.db2.gz NPTOKKIMGRVAHO-UHFFFAOYSA-N 0 0 344.367 3.159 10 5 EGBERN CCCOc1ccc(Br)cc1Cn1cnc([N+](=O)[O-])c1 ZINC000360570425 167359896 /nfs/dbraw/zinc/35/98/96/167359896.db2.gz QXMLCUPHMWHNGZ-UHFFFAOYSA-N 0 0 340.177 3.391 10 5 EGBERN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000360700614 167390938 /nfs/dbraw/zinc/39/09/38/167390938.db2.gz UAXOMRVUDUFPGK-HIFRSBDPSA-N 0 0 325.368 3.083 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000360703689 167391909 /nfs/dbraw/zinc/39/19/09/167391909.db2.gz AWPQRUJMFMBATD-CYBMUJFWSA-N 0 0 334.401 3.096 10 5 EGBERN Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccncc2[N+](=O)[O-])cc1 ZINC000360989404 167475228 /nfs/dbraw/zinc/47/52/28/167475228.db2.gz CLYFLSIIMPNCBQ-QAPCUYQASA-N 0 0 327.384 3.300 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000361004101 167479251 /nfs/dbraw/zinc/47/92/51/167479251.db2.gz WLGZFEQUHPKRHZ-HNNXBMFYSA-N 0 0 343.431 3.225 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nncs1 ZINC000361301272 167585552 /nfs/dbraw/zinc/58/55/52/167585552.db2.gz VQMZBNAXIJPPKV-UHFFFAOYSA-N 0 0 338.414 3.225 10 5 EGBERN Cc1cnc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)o1 ZINC000365903985 168058245 /nfs/dbraw/zinc/05/82/45/168058245.db2.gz CXWJNMPPCFISHG-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN COc1cccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000366202905 168094062 /nfs/dbraw/zinc/09/40/62/168094062.db2.gz PNPCSJHBMQSTDP-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000367134845 168183343 /nfs/dbraw/zinc/18/33/43/168183343.db2.gz CTPFQSXDPOFDSG-NSHDSACASA-N 0 0 343.314 3.107 10 5 EGBERN CCCC[C@H](CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000028048466 264601271 /nfs/dbraw/zinc/60/12/71/264601271.db2.gz JGOTXLOVHKHAGL-LBPRGKRZSA-N 0 0 344.433 3.098 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC[C@@H]2C1 ZINC000154203875 264800956 /nfs/dbraw/zinc/80/09/56/264800956.db2.gz KTXWFASXEHCSTH-NXEZZACHSA-N 0 0 339.189 3.229 10 5 EGBERN COc1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000174547473 265056525 /nfs/dbraw/zinc/05/65/25/265056525.db2.gz MALCHQZNYXJRNO-CYBMUJFWSA-N 0 0 344.367 3.109 10 5 EGBERN CC[C@H](NC(=O)c1cccc(OC)c1O)c1cccc([N+](=O)[O-])c1 ZINC000175457134 265115709 /nfs/dbraw/zinc/11/57/09/265115709.db2.gz GWMDXJBFAGJAEB-AWEZNQCLSA-N 0 0 330.340 3.190 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000176800881 265205085 /nfs/dbraw/zinc/20/50/85/265205085.db2.gz FJBGENOIXLCDRZ-JTQLQIEISA-N 0 0 347.396 3.270 10 5 EGBERN Cc1cnc(OCC(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000178284758 265305884 /nfs/dbraw/zinc/30/58/84/265305884.db2.gz VMECPVFOWURFOY-UHFFFAOYSA-N 0 0 329.356 3.439 10 5 EGBERN Cc1nc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)s1 ZINC000179238518 265369505 /nfs/dbraw/zinc/36/95/05/265369505.db2.gz VEMCSJIKLHWHDU-UHFFFAOYSA-N 0 0 349.368 3.082 10 5 EGBERN COC(=O)CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000191809419 265932744 /nfs/dbraw/zinc/93/27/44/265932744.db2.gz WXABTCNJDGVBQY-UHFFFAOYSA-N 0 0 334.372 3.355 10 5 EGBERN COc1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000194165819 266095792 /nfs/dbraw/zinc/09/57/92/266095792.db2.gz DPCXAYZJMGLQQG-KBPBESRZSA-N 0 0 330.315 3.028 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C1)CCOCC2 ZINC000273534156 267054858 /nfs/dbraw/zinc/05/48/58/267054858.db2.gz UFIMKLVCVCEIHV-WYMLVPIESA-N 0 0 330.384 3.027 10 5 EGBERN CCOC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000277116082 267699194 /nfs/dbraw/zinc/69/91/94/267699194.db2.gz HZHAOYWOKKDEQN-LBPRGKRZSA-N 0 0 328.796 3.348 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](c3cccs3)C1)CCN2 ZINC000278413973 268007384 /nfs/dbraw/zinc/00/73/84/268007384.db2.gz OBSLFLUZXVHMCM-AWEZNQCLSA-N 0 0 331.397 3.202 10 5 EGBERN CC(C)OC(=O)C[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278529061 268032179 /nfs/dbraw/zinc/03/21/79/268032179.db2.gz TZVZQKDUPOQSPE-GFCCVEGCSA-N 0 0 346.387 3.029 10 5 EGBERN C[C@H](Oc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376684 275161765 /nfs/dbraw/zinc/16/17/65/275161765.db2.gz ITRNPRDHQPTGBQ-OLZOCXBDSA-N 0 0 326.352 3.340 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000106604321 275169342 /nfs/dbraw/zinc/16/93/42/275169342.db2.gz OLAQXOVJBWZWLE-DLBZAZTESA-N 0 0 338.363 3.296 10 5 EGBERN CC(C)(C)c1nc(COc2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC000184973169 275214300 /nfs/dbraw/zinc/21/43/00/275214300.db2.gz BTEAKTDHLUBFDV-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184980879 275214427 /nfs/dbraw/zinc/21/44/27/275214427.db2.gz PDVHZSFURGEPNA-BETUJISGSA-N 0 0 343.383 3.311 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(c2ccccc2)CC1 ZINC000192522642 275224223 /nfs/dbraw/zinc/22/42/23/275224223.db2.gz GXPCFOMKQCVQCS-UHFFFAOYSA-N 0 0 329.404 3.201 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC(C)C ZINC000194589830 275225687 /nfs/dbraw/zinc/22/56/87/275225687.db2.gz SGJIKPCBXMNXGL-UHFFFAOYSA-N 0 0 343.383 3.263 10 5 EGBERN COc1cc(OCC(=O)Nc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000194854323 275228116 /nfs/dbraw/zinc/22/81/16/275228116.db2.gz CIVQGNULSVBKTA-UHFFFAOYSA-N 0 0 341.323 3.102 10 5 EGBERN COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000194862694 275228441 /nfs/dbraw/zinc/22/84/41/275228441.db2.gz HRWQJUDCMIFMOM-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CCCC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000278645851 275261991 /nfs/dbraw/zinc/26/19/91/275261991.db2.gz NGNYVDZBSDDJHL-NSHDSACASA-N 0 0 342.779 3.018 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@H]1C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000279246396 275315804 /nfs/dbraw/zinc/31/58/04/275315804.db2.gz HOJSHYPRVSRFCY-KMFMINBZSA-N 0 0 349.431 3.381 10 5 EGBERN CCC(=O)c1ccc(NC[C@H](O)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000280042432 275395820 /nfs/dbraw/zinc/39/58/20/275395820.db2.gz MHFBBTYRKXCVBR-KRWDZBQOSA-N 0 0 344.367 3.342 10 5 EGBERN CC(=O)c1cc(N2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000377161186 275501814 /nfs/dbraw/zinc/50/18/14/275501814.db2.gz IZEKOTMSZDLOFK-UHFFFAOYSA-N 0 0 340.335 3.175 10 5 EGBERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282509371 275641772 /nfs/dbraw/zinc/64/17/72/275641772.db2.gz PIOBSMJBICPDOC-LBPRGKRZSA-N 0 0 349.778 3.181 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000286502524 276009049 /nfs/dbraw/zinc/00/90/49/276009049.db2.gz WBRAPAGZYZYXKA-SNVBAGLBSA-N 0 0 335.385 3.344 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000288290618 276197904 /nfs/dbraw/zinc/19/79/04/276197904.db2.gz HFWFSYDNUPICIE-LRDDRELGSA-N 0 0 343.387 3.316 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CCCCCO3)cc2[N+](=O)[O-])CC1 ZINC000351677275 276199872 /nfs/dbraw/zinc/19/98/72/276199872.db2.gz DGPHSJFPGMLAKL-UHFFFAOYSA-N 0 0 347.415 3.389 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCC(F)(F)CC1 ZINC000288720120 276245236 /nfs/dbraw/zinc/24/52/36/276245236.db2.gz DBIUIABXCWSFHG-UHFFFAOYSA-N 0 0 326.343 3.421 10 5 EGBERN CCC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223195 276272366 /nfs/dbraw/zinc/27/23/66/276272366.db2.gz XKXIFDOHWSTMJE-CVEARBPZSA-N 0 0 329.404 3.461 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@H]1C ZINC000289580091 276361087 /nfs/dbraw/zinc/36/10/87/276361087.db2.gz HGXOWNIRWZUSMP-SKDRFNHKSA-N 0 0 327.768 3.137 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000289699326 276380246 /nfs/dbraw/zinc/38/02/46/276380246.db2.gz HARQGABDDMOBAV-HNNXBMFYSA-N 0 0 343.383 3.055 10 5 EGBERN CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346935856 276635313 /nfs/dbraw/zinc/63/53/13/276635313.db2.gz IXQJLTVNZOGKBQ-ZDUSSCGKSA-N 0 0 345.321 3.266 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2cccnc2)c1 ZINC000360155313 277436943 /nfs/dbraw/zinc/43/69/43/277436943.db2.gz DAQPFBXLHCHTJU-AWEZNQCLSA-N 0 0 327.340 3.118 10 5 EGBERN COc1cc(NCc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])cc1F ZINC000095411908 277832775 /nfs/dbraw/zinc/83/27/75/277832775.db2.gz PXOITPTZEFLQSA-UHFFFAOYSA-N 0 0 347.346 3.056 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000068195398 278866080 /nfs/dbraw/zinc/86/60/80/278866080.db2.gz OSXSUBWVVPPWTE-GFCCVEGCSA-N 0 0 342.355 3.052 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(N(C)C)c1 ZINC000103377482 280023672 /nfs/dbraw/zinc/02/36/72/280023672.db2.gz QHDQBFBPUMKLAZ-LBPRGKRZSA-N 0 0 325.368 3.252 10 5 EGBERN O=C([C@@H]1CCCc2cccnc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000194763048 280092509 /nfs/dbraw/zinc/09/25/09/280092509.db2.gz QGWQKTAISHJUNT-OAHLLOKOSA-N 0 0 337.379 3.389 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc(Br)cc2)nc1 ZINC000373380498 280379655 /nfs/dbraw/zinc/37/96/55/280379655.db2.gz YTVHTLLEOTVDTD-ZDUSSCGKSA-N 0 0 349.188 3.489 10 5 EGBERN Cc1cccc(C)c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026571135 281203833 /nfs/dbraw/zinc/20/38/33/281203833.db2.gz CQWMWCISKHUMBU-UHFFFAOYSA-N 0 0 339.395 3.174 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)n1 ZINC000343630067 288710805 /nfs/dbraw/zinc/71/08/05/288710805.db2.gz PBLZPYFOMHLQAI-TZMCWYRMSA-N 0 0 328.372 3.035 10 5 EGBERN Cn1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(C)(C)C)cn1 ZINC000351611143 294293237 /nfs/dbraw/zinc/29/32/37/294293237.db2.gz QBCAAIISPYPZPS-AWEZNQCLSA-N 0 0 349.366 3.376 10 5 EGBERN COc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000341274127 295288247 /nfs/dbraw/zinc/28/82/47/295288247.db2.gz ZSHBXZDJYUKWIY-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000367165729 295356374 /nfs/dbraw/zinc/35/63/74/295356374.db2.gz POZUQBOECFLKFD-GOSISDBHSA-N 0 0 325.368 3.203 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 ZINC000408173252 301203654 /nfs/dbraw/zinc/20/36/54/301203654.db2.gz IMNFJFDBVOOJJE-KSYCFECVSA-N 0 0 333.432 3.373 10 5 EGBERN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112258597 302170024 /nfs/dbraw/zinc/17/00/24/302170024.db2.gz CXSZWLCFVAJPJH-SFHVURJKSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C ZINC000114270020 302704900 /nfs/dbraw/zinc/70/49/00/302704900.db2.gz DNOPDKNXVBUZMC-JTQLQIEISA-N 0 0 333.310 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(CCOCC3)[C@H]2c2ccccc2)cn1 ZINC000413534497 309036240 /nfs/dbraw/zinc/03/62/40/309036240.db2.gz CNBFZZRYTMSQQL-QGZVFWFLSA-N 0 0 325.368 3.348 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3C[C@@H](c4ccccc4)C4(CCC4)C3)nn21 ZINC000413533645 309036267 /nfs/dbraw/zinc/03/62/67/309036267.db2.gz OORXGHLOWSUCJI-HNNXBMFYSA-N 0 0 349.394 3.412 10 5 EGBERN CCN(Cc1occc1C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000413557206 309037252 /nfs/dbraw/zinc/03/72/52/309037252.db2.gz RKSPJQDECGNXDB-UHFFFAOYSA-N 0 0 333.344 3.013 10 5 EGBERN Nc1c(F)c(N[C@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000413602851 309039134 /nfs/dbraw/zinc/03/91/34/309039134.db2.gz KBYJCUNPXORXLS-NSHDSACASA-N 0 0 334.326 3.146 10 5 EGBERN CN(Cc1noc(C2CC2)n1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000413604311 309039222 /nfs/dbraw/zinc/03/92/22/309039222.db2.gz IQIIZQLOVPXJMY-UHFFFAOYSA-N 0 0 325.328 3.040 10 5 EGBERN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc3ccccc32)c1 ZINC000083988065 307444632 /nfs/dbraw/zinc/44/46/32/307444632.db2.gz FQGPQTQBBMHLCO-UHFFFAOYSA-N 0 0 342.376 3.227 10 5 EGBERN COc1cc(NCCCOCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000091453079 307463409 /nfs/dbraw/zinc/46/34/09/307463409.db2.gz FOQXLMMSCMKQJQ-UHFFFAOYSA-N 0 0 326.246 3.123 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C[C@@H]2C)cc1OC ZINC000413969822 309054778 /nfs/dbraw/zinc/05/47/78/309054778.db2.gz FNOOCNBMRZNGHE-NSHDSACASA-N 0 0 336.388 3.263 10 5 EGBERN CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000413995782 309055699 /nfs/dbraw/zinc/05/56/99/309055699.db2.gz KKEAIZRTDARATJ-LBPRGKRZSA-N 0 0 338.713 3.494 10 5 EGBERN C[C@H](Sc1nnc(-c2cnccn2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000123004602 307535109 /nfs/dbraw/zinc/53/51/09/307535109.db2.gz IWVJCASGDTUCSQ-JTQLQIEISA-N 0 0 342.384 3.034 10 5 EGBERN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000126150575 307564799 /nfs/dbraw/zinc/56/47/99/307564799.db2.gz JKMNLSHEHXJXQT-AWEZNQCLSA-N 0 0 342.399 3.325 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000127895982 307592074 /nfs/dbraw/zinc/59/20/74/307592074.db2.gz POFWIHWRFFGYIG-UHFFFAOYSA-N 0 0 348.362 3.198 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151305394 307731076 /nfs/dbraw/zinc/73/10/76/307731076.db2.gz PQSREDJLSDYHRX-ZDUSSCGKSA-N 0 0 334.397 3.084 10 5 EGBERN Cc1ccc([C@H](C)N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151866902 307740681 /nfs/dbraw/zinc/74/06/81/307740681.db2.gz FRJBNXHUIHHDAU-AWEZNQCLSA-N 0 0 348.424 3.426 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000152510580 307754006 /nfs/dbraw/zinc/75/40/06/307754006.db2.gz FPTFILLZACDTLU-UHFFFAOYSA-N 0 0 339.395 3.441 10 5 EGBERN CCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000153461936 307773736 /nfs/dbraw/zinc/77/37/36/307773736.db2.gz QLAIFAFYRVFHPD-UHFFFAOYSA-N 0 0 342.277 3.460 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)Cc1ccc2c(c1)CCC2 ZINC000414420359 309079075 /nfs/dbraw/zinc/07/90/75/309079075.db2.gz VMMBOZJMYWMGLX-UHFFFAOYSA-N 0 0 331.393 3.199 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000255912984 308062924 /nfs/dbraw/zinc/06/29/24/308062924.db2.gz NVONHTCSGJLIQW-TWGQIWQCSA-N 0 0 348.362 3.224 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)[C@@H]1C ZINC000294249610 308203742 /nfs/dbraw/zinc/20/37/42/308203742.db2.gz SMOYYYKGFFKSTE-ZIAGYGMSSA-N 0 0 331.416 3.312 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C3CCCCC3)cc2)n1 ZINC000294658293 308242861 /nfs/dbraw/zinc/24/28/61/308242861.db2.gz RJWXXPNJZBEHEI-UHFFFAOYSA-N 0 0 342.399 3.306 10 5 EGBERN Cc1c(C(=O)N2CCC[C@](C)(F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000295638663 308346052 /nfs/dbraw/zinc/34/60/52/308346052.db2.gz SUQXNZYDLPYNLG-HNNXBMFYSA-N 0 0 339.323 3.084 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295742117 308355628 /nfs/dbraw/zinc/35/56/28/308355628.db2.gz ANTWVLHARGYMAC-GFCCVEGCSA-N 0 0 344.820 3.024 10 5 EGBERN Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(C2CCCCC2)n1 ZINC000295819920 308363805 /nfs/dbraw/zinc/36/38/05/308363805.db2.gz XWAJPNRQLSIRDG-UHFFFAOYSA-N 0 0 343.387 3.211 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000295870108 308369231 /nfs/dbraw/zinc/36/92/31/308369231.db2.gz XOYRQYCBYIVPDH-QGZVFWFLSA-N 0 0 335.379 3.159 10 5 EGBERN Cc1ccc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000296077480 308391421 /nfs/dbraw/zinc/39/14/21/308391421.db2.gz VTJLTRVLEGAHKO-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN COC[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296793944 308467953 /nfs/dbraw/zinc/46/79/53/308467953.db2.gz WJQLHHCUANCOCJ-SUMWQHHRSA-N 0 0 343.383 3.343 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCC(C)(F)F ZINC000297094369 308498317 /nfs/dbraw/zinc/49/83/17/308498317.db2.gz GACNGMRLLLGAJE-UHFFFAOYSA-N 0 0 329.347 3.214 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000299648086 308683069 /nfs/dbraw/zinc/68/30/69/308683069.db2.gz OIDWOBXDDOBPTC-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(OC2CCCC2)c1 ZINC000301097525 308688067 /nfs/dbraw/zinc/68/80/67/308688067.db2.gz OOXPHBMHOYVMGI-UHFFFAOYSA-N 0 0 342.355 3.154 10 5 EGBERN CN(C[C@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301201633 308691635 /nfs/dbraw/zinc/69/16/35/308691635.db2.gz WSDRCSGLJQUOKK-MRXNPFEDSA-N 0 0 340.379 3.441 10 5 EGBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000301375747 308698375 /nfs/dbraw/zinc/69/83/75/308698375.db2.gz SBMIGXKWAMUIBZ-AWEZNQCLSA-N 0 0 333.367 3.323 10 5 EGBERN COC(=O)c1cc(NCc2ccc(Cl)nc2)cc(C)c1[N+](=O)[O-] ZINC000301627322 308708158 /nfs/dbraw/zinc/70/81/58/308708158.db2.gz ACLTVLGBKBTPRY-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN COc1cc(NC[C@@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1F ZINC000301648161 308708932 /nfs/dbraw/zinc/70/89/32/308708932.db2.gz QMYMFVHUPWHPBG-MRXNPFEDSA-N 0 0 338.335 3.272 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000301764335 308714310 /nfs/dbraw/zinc/71/43/10/308714310.db2.gz NCSALEWWHDQASI-XHDPSFHLSA-N 0 0 326.368 3.486 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000301966130 308723357 /nfs/dbraw/zinc/72/33/57/308723357.db2.gz OHZQUSRBCHTNJQ-NEPJUHHUSA-N 0 0 333.392 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000302014566 308725194 /nfs/dbraw/zinc/72/51/94/308725194.db2.gz BQWAEKYHVMDQCA-GFCCVEGCSA-N 0 0 349.337 3.056 10 5 EGBERN CC(C)(C)c1nc(CCNc2cc(CO)ccc2[N+](=O)[O-])cs1 ZINC000302031454 308725967 /nfs/dbraw/zinc/72/59/67/308725967.db2.gz KEXFYSJPOHKAJR-UHFFFAOYSA-N 0 0 335.429 3.496 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000302135479 308730352 /nfs/dbraw/zinc/73/03/52/308730352.db2.gz DNEFNZZIELVFPH-HNNXBMFYSA-N 0 0 331.372 3.304 10 5 EGBERN Cc1cccc(N[C@H](C)Cn2ncc3ccccc3c2=O)c1[N+](=O)[O-] ZINC000302478451 308737791 /nfs/dbraw/zinc/73/77/91/308737791.db2.gz FWNLBFYTIBYCCY-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN CCc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 ZINC000302650775 308741035 /nfs/dbraw/zinc/74/10/35/308741035.db2.gz JWQMCVDSHXISSV-UHFFFAOYSA-N 0 0 348.428 3.364 10 5 EGBERN COC(=O)c1cnc(NCc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000302788995 308745809 /nfs/dbraw/zinc/74/58/09/308745809.db2.gz XTUGVYNRXNSYHJ-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(c2ccccc2)CC1 ZINC000327823395 308771548 /nfs/dbraw/zinc/77/15/48/308771548.db2.gz LIHRQOHYUQMBSN-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN CNc1c(C(=O)N[C@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000361168960 308896329 /nfs/dbraw/zinc/89/63/29/308896329.db2.gz GHBNDHCTKKAHPU-AWEZNQCLSA-N 0 0 329.331 3.193 10 5 EGBERN COCC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000410703993 308920303 /nfs/dbraw/zinc/92/03/03/308920303.db2.gz JVQMQISUGOZULA-UHFFFAOYSA-N 0 0 343.383 3.019 10 5 EGBERN CCOc1cc(C(=O)NC23CCC(CC2)CC3)c([N+](=O)[O-])cc1OC ZINC000411054030 308924705 /nfs/dbraw/zinc/92/47/05/308924705.db2.gz ZEVPVSFDRNGWFZ-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413082738 309015218 /nfs/dbraw/zinc/01/52/18/309015218.db2.gz HRIZTWKEKNIKHP-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1O ZINC000413227184 309022601 /nfs/dbraw/zinc/02/26/01/309022601.db2.gz OZCOBYDMRZSGJX-ZYHUDNBSSA-N 0 0 347.337 3.242 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413278515 309024749 /nfs/dbraw/zinc/02/47/49/309024749.db2.gz ZGDOQMGRIGSWAU-OLZOCXBDSA-N 0 0 329.356 3.287 10 5 EGBERN COC(=O)c1cc(N[C@H]2C[C@H](OC)C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000413437033 309031979 /nfs/dbraw/zinc/03/19/79/309031979.db2.gz HFABISUSGMBUPR-KBPBESRZSA-N 0 0 334.372 3.059 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC1(C)C ZINC000416087030 309157936 /nfs/dbraw/zinc/15/79/36/309157936.db2.gz WYTNOKYDHJIBTQ-SMDDNHRTSA-N 0 0 326.343 3.356 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416420014 309171359 /nfs/dbraw/zinc/17/13/59/309171359.db2.gz XDZDIDNDVTYHAH-GFCCVEGCSA-N 0 0 326.418 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nnc(C3CC3)s2)c2cccnc21 ZINC000418957025 309258931 /nfs/dbraw/zinc/25/89/31/309258931.db2.gz DFGXQQMJRULMGV-UHFFFAOYSA-N 0 0 328.353 3.451 10 5 EGBERN COC(=O)c1cc(N[C@@H]2COCc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000418981242 309259199 /nfs/dbraw/zinc/25/91/99/309259199.db2.gz BBGRGQGWIKXWCC-MRXNPFEDSA-N 0 0 342.351 3.373 10 5 EGBERN CCOC(=O)c1noc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000419586986 309270019 /nfs/dbraw/zinc/27/00/19/309270019.db2.gz MZZGGZJRYCODAA-VIFPVBQESA-N 0 0 337.357 3.149 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C)nn2)no1 ZINC000420527625 309289198 /nfs/dbraw/zinc/28/91/98/309289198.db2.gz KTKBVXDKNUGVGW-CYBMUJFWSA-N 0 0 339.355 3.480 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C)nn2)no1 ZINC000420527626 309289221 /nfs/dbraw/zinc/28/92/21/309289221.db2.gz KTKBVXDKNUGVGW-ZDUSSCGKSA-N 0 0 339.355 3.480 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000420621005 309290534 /nfs/dbraw/zinc/29/05/34/309290534.db2.gz RHXHHHAALGHKMQ-HUUCEWRRSA-N 0 0 327.384 3.448 10 5 EGBERN CC[C@H]1C[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623371 309290613 /nfs/dbraw/zinc/29/06/13/309290613.db2.gz VBIUHHKMKWRKPV-HOCLYGCPSA-N 0 0 342.399 3.152 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC23CCSCC3)c1 ZINC000420654289 309291792 /nfs/dbraw/zinc/29/17/92/309291792.db2.gz PTFGSAOSMGQBKO-LBPRGKRZSA-N 0 0 336.413 3.327 10 5 EGBERN COC(=O)c1cc(NCc2cc(C)nc(C)c2)cc(C)c1[N+](=O)[O-] ZINC000420651596 309291805 /nfs/dbraw/zinc/29/18/05/309291805.db2.gz KIELJQQNROEWLM-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420810238 309296075 /nfs/dbraw/zinc/29/60/75/309296075.db2.gz ZDMBHQUGKMOGTP-WBVHZDCISA-N 0 0 349.431 3.174 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000420843886 309297851 /nfs/dbraw/zinc/29/78/51/309297851.db2.gz RTYNLFFWOWHCLH-CQSZACIVSA-N 0 0 349.456 3.236 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000421571166 309330141 /nfs/dbraw/zinc/33/01/41/309330141.db2.gz VCFIKUOKJHDBQX-RHSMWYFYSA-N 0 0 334.416 3.393 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)n1 ZINC000421723596 309337023 /nfs/dbraw/zinc/33/70/23/309337023.db2.gz WHACWWIJWJEPCI-CQSZACIVSA-N 0 0 342.399 3.220 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1OCCO ZINC000421800822 309340644 /nfs/dbraw/zinc/34/06/44/309340644.db2.gz JEAVQKJSQXWXTG-UHFFFAOYSA-N 0 0 344.367 3.143 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)CC12CCC2 ZINC000422020491 309351351 /nfs/dbraw/zinc/35/13/51/309351351.db2.gz LKZHPSKXUXQGDT-RDJZCZTQSA-N 0 0 346.427 3.070 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424102349 309429548 /nfs/dbraw/zinc/42/95/48/309429548.db2.gz LILRHMBHJLYNKK-QHCPKHFHSA-N 0 0 335.381 3.228 10 5 EGBERN Cc1sc(C(=O)NCC(=O)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000424892864 309459049 /nfs/dbraw/zinc/45/90/49/309459049.db2.gz YWNQGVGTRQTSNO-UHFFFAOYSA-N 0 0 346.355 3.089 10 5 EGBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000424986377 309461077 /nfs/dbraw/zinc/46/10/77/309461077.db2.gz XNLKPFDSYLXLAE-DODZYUBVSA-N 0 0 340.354 3.452 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000430403173 309607323 /nfs/dbraw/zinc/60/73/23/309607323.db2.gz UJEMPBFENWKWAW-NXOUGTEYSA-N 0 0 340.379 3.269 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCC[C@@H]([C@@H]4CCOC4)C3)ccnc21 ZINC000432313640 309656988 /nfs/dbraw/zinc/65/69/88/309656988.db2.gz OEPLWAJKEBFIFP-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN CCOC(=O)c1cc(NCC2(CO)CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000432853719 309670959 /nfs/dbraw/zinc/67/09/59/309670959.db2.gz VNBJFQLHZFUGEQ-UHFFFAOYSA-N 0 0 348.399 3.126 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434189682 309706522 /nfs/dbraw/zinc/70/65/22/309706522.db2.gz OHABYYRHTLBJQZ-VIFPVBQESA-N 0 0 341.289 3.491 10 5 EGBERN COc1cccc(C(=O)Nc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000435544457 309734619 /nfs/dbraw/zinc/73/46/19/309734619.db2.gz PMLHFEXUIGOOQU-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CC[C@@H](NC(=O)NCC1(OC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000455102191 310344695 /nfs/dbraw/zinc/34/46/95/310344695.db2.gz MSMWQJTWWCBMHQ-OAHLLOKOSA-N 0 0 335.404 3.304 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000438501610 309815587 /nfs/dbraw/zinc/81/55/87/309815587.db2.gz LEFRSPXDEHUKNU-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000440988191 309859836 /nfs/dbraw/zinc/85/98/36/309859836.db2.gz ITFOWNSHAJAOCX-NSHDSACASA-N 0 0 346.770 3.178 10 5 EGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000441545938 309874132 /nfs/dbraw/zinc/87/41/32/309874132.db2.gz MKRPTGFPLKKAHT-INIZCTEOSA-N 0 0 333.432 3.458 10 5 EGBERN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000444674424 309925125 /nfs/dbraw/zinc/92/51/25/309925125.db2.gz KMFZTJWNYAKIBT-MRXNPFEDSA-N 0 0 344.346 3.088 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000446037039 309953907 /nfs/dbraw/zinc/95/39/07/309953907.db2.gz MUVDXZCFTKPMHV-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN COc1ccc2c(c1)CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000447670213 309985477 /nfs/dbraw/zinc/98/54/77/309985477.db2.gz IXOGLUPWTCYYHK-UHFFFAOYSA-N 0 0 338.367 3.085 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3SCCc4ccccc43)nc2c1 ZINC000447674371 309985550 /nfs/dbraw/zinc/98/55/50/309985550.db2.gz BZWUHDODAFPZBR-MRXNPFEDSA-N 0 0 340.408 3.336 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCC2)nc1 ZINC000448569942 310006686 /nfs/dbraw/zinc/00/66/86/310006686.db2.gz SCHLECNJHSNJIL-UHFFFAOYSA-N 0 0 326.356 3.069 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450657111 310135595 /nfs/dbraw/zinc/13/55/95/310135595.db2.gz KVOKRKWITWLDJB-DYVFJYSZSA-N 0 0 334.322 3.038 10 5 EGBERN CC[C@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000450664744 310136047 /nfs/dbraw/zinc/13/60/47/310136047.db2.gz ZPCOWKGKLHZOKD-GJZGRUSLSA-N 0 0 327.384 3.254 10 5 EGBERN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000451867881 310200988 /nfs/dbraw/zinc/20/09/88/310200988.db2.gz CZNICGUFTKZLGD-NSHDSACASA-N 0 0 349.328 3.050 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184205 310217414 /nfs/dbraw/zinc/21/74/14/310217414.db2.gz RBYRKNBBPOFHEV-LBPRGKRZSA-N 0 0 338.363 3.144 10 5 EGBERN COC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCC1 ZINC000452581826 310233158 /nfs/dbraw/zinc/23/31/58/310233158.db2.gz UNMOPKFWSIHSIK-UHFFFAOYSA-N 0 0 346.305 3.303 10 5 EGBERN C[C@H]1COCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453232694 310265595 /nfs/dbraw/zinc/26/55/95/310265595.db2.gz HHNUGENUWAXEAM-QWRGUYRKSA-N 0 0 344.371 3.143 10 5 EGBERN COC[C@H](C)[C@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242117 310266248 /nfs/dbraw/zinc/26/62/48/310266248.db2.gz VIVVWLXUJNXHPH-QWRGUYRKSA-N 0 0 346.387 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000454150300 310294706 /nfs/dbraw/zinc/29/47/06/310294706.db2.gz QRTZOQWEVUCWLV-DJIMGWMZSA-N 0 0 347.415 3.451 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000454762657 310328053 /nfs/dbraw/zinc/32/80/53/310328053.db2.gz CKJMEIXYYGLEPH-OAHLLOKOSA-N 0 0 343.786 3.324 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765251 310328138 /nfs/dbraw/zinc/32/81/38/310328138.db2.gz PXJPXDUQTZNVMF-XNRPHZJLSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456246690 310394847 /nfs/dbraw/zinc/39/48/47/310394847.db2.gz IISKGBJMEIXQON-DYVFJYSZSA-N 0 0 336.338 3.063 10 5 EGBERN CCOc1ccc(C(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000457219039 310443656 /nfs/dbraw/zinc/44/36/56/310443656.db2.gz UHIWTPVCGYEFLJ-UHFFFAOYSA-N 0 0 328.315 3.159 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000457329911 310448239 /nfs/dbraw/zinc/44/82/39/310448239.db2.gz OCKDNRZIOCTAMD-UHFFFAOYSA-N 0 0 331.416 3.313 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000458001977 310482131 /nfs/dbraw/zinc/48/21/31/310482131.db2.gz WARRJZPBDLMZQV-IAGOWNOFSA-N 0 0 339.395 3.468 10 5 EGBERN Cc1cc(N[C@H]2CCN(c3ccccc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000461957965 310594093 /nfs/dbraw/zinc/59/40/93/310594093.db2.gz LGGUCWQJMKTUAW-AWEZNQCLSA-N 0 0 329.331 3.260 10 5 EGBERN O=C(C/C=C\c1cccc(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000470198311 310719864 /nfs/dbraw/zinc/71/98/64/310719864.db2.gz QKRFIYGHGFDIFQ-XQRVVYSFSA-N 0 0 328.343 3.496 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000474379563 310791857 /nfs/dbraw/zinc/79/18/57/310791857.db2.gz VNJLJVLMTDJSBV-OUAUKWLOSA-N 0 0 346.836 3.303 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000474397426 310792517 /nfs/dbraw/zinc/79/25/17/310792517.db2.gz ZENYWNHFWZCTPW-VWYCJHECSA-N 0 0 346.836 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000474870087 310800432 /nfs/dbraw/zinc/80/04/32/310800432.db2.gz RJEOZYBGXNGEFZ-CQSZACIVSA-N 0 0 332.743 3.420 10 5 EGBERN CCc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1C ZINC000477220596 310841559 /nfs/dbraw/zinc/84/15/59/310841559.db2.gz IOJDYDAICBKQSJ-UHFFFAOYSA-N 0 0 348.424 3.450 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000478002226 310853177 /nfs/dbraw/zinc/85/31/77/310853177.db2.gz XDSMALWZBAZCRG-HOCLYGCPSA-N 0 0 347.415 3.246 10 5 EGBERN Cc1cc(OCC(=O)N2CCc3cc(F)c(F)cc32)ccc1[N+](=O)[O-] ZINC000484148583 310962731 /nfs/dbraw/zinc/96/27/31/310962731.db2.gz RWEIHTISIOPUQL-UHFFFAOYSA-N 0 0 348.305 3.150 10 5 EGBERN C[C@H]1[C@@H](CO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486002027 310986113 /nfs/dbraw/zinc/98/61/13/310986113.db2.gz KFLLGDJVHVDEBH-XJKSGUPXSA-N 0 0 340.379 3.033 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCC(F)(F)C3)cc2N1 ZINC000486896618 311001612 /nfs/dbraw/zinc/00/16/12/311001612.db2.gz LDCGONKBOIXRIF-JTQLQIEISA-N 0 0 325.315 3.469 10 5 EGBERN C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC12CCC2 ZINC000486964831 311004417 /nfs/dbraw/zinc/00/44/17/311004417.db2.gz IDYQTMBPJBUHAB-LLVKDONJSA-N 0 0 338.354 3.454 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486991491 311005962 /nfs/dbraw/zinc/00/59/62/311005962.db2.gz WORNUEUXDBZZMF-HNNXBMFYSA-N 0 0 334.416 3.273 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000487443233 311023900 /nfs/dbraw/zinc/02/39/00/311023900.db2.gz QQBUGFOYEKJCMI-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000487681292 311033779 /nfs/dbraw/zinc/03/37/79/311033779.db2.gz YLIVFQXBUCBILX-JOCQHMNTSA-N 0 0 346.333 3.478 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000487696730 311034533 /nfs/dbraw/zinc/03/45/33/311034533.db2.gz ISVWMHUZTZGXPV-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN Cc1cc(F)ccc1CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000487995477 311046569 /nfs/dbraw/zinc/04/65/69/311046569.db2.gz ASSIYFAAUYSHKB-UHFFFAOYSA-N 0 0 345.374 3.137 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cn2ncc3ccccc32)cc1[N+](=O)[O-] ZINC000488035584 311048810 /nfs/dbraw/zinc/04/88/10/311048810.db2.gz XCFHLNDJBXDLDQ-CYBMUJFWSA-N 0 0 338.367 3.130 10 5 EGBERN NC(=O)c1cccc(Sc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488087425 311050815 /nfs/dbraw/zinc/05/08/15/311050815.db2.gz GQFAYAJSDOUPJT-UHFFFAOYSA-N 0 0 325.349 3.393 10 5 EGBERN Cn1nccc1[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488088586 311050892 /nfs/dbraw/zinc/05/08/92/311050892.db2.gz LTALZRIGYYXSHH-CYBMUJFWSA-N 0 0 337.383 3.261 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@H]1CCCC[C@@H]1O ZINC000488092847 311051161 /nfs/dbraw/zinc/05/11/61/311051161.db2.gz SCQYTXMTJAJDHK-DYVFJYSZSA-N 0 0 329.400 3.308 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793303 311080311 /nfs/dbraw/zinc/08/03/11/311080311.db2.gz IMFNXBTZEONARP-QWHCGFSZSA-N 0 0 326.418 3.088 10 5 EGBERN COc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000491208436 311168101 /nfs/dbraw/zinc/16/81/01/311168101.db2.gz QSVJRMUICXNRRL-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN CC(C)C1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000491937408 311200554 /nfs/dbraw/zinc/20/05/54/311200554.db2.gz SADOGJDDWXMMCU-UHFFFAOYSA-N 0 0 332.447 3.103 10 5 EGBERN O=C(CN1CCCC[C@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502845514 311974269 /nfs/dbraw/zinc/97/42/69/311974269.db2.gz RGJOBKHTMKRWNR-NSHDSACASA-N 0 0 347.749 3.306 10 5 EGBERN C[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504300128 312003144 /nfs/dbraw/zinc/00/31/44/312003144.db2.gz UPJGVGWCCBUIJH-NEPJUHHUSA-N 0 0 344.342 3.479 10 5 EGBERN COc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000506177859 312044017 /nfs/dbraw/zinc/04/40/17/312044017.db2.gz GXTSRDSMYBXNFO-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN COc1ncc(CSCc2c(F)cc([N+](=O)[O-])cc2F)c(C)n1 ZINC000507098043 312058787 /nfs/dbraw/zinc/05/87/87/312058787.db2.gz MDFWHNVMSIMLFS-UHFFFAOYSA-N 0 0 341.339 3.413 10 5 EGBERN COc1ccccc1CCN(C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000508262207 312091524 /nfs/dbraw/zinc/09/15/24/312091524.db2.gz DHXJZPZIHWPTOT-UHFFFAOYSA-N 0 0 334.347 3.430 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOc1ccc(F)cc1 ZINC000512014577 312173978 /nfs/dbraw/zinc/17/39/78/312173978.db2.gz HHTJKQMYVNTCHF-UHFFFAOYSA-N 0 0 332.331 3.241 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C(=O)c1ccccc1 ZINC000514818147 312246779 /nfs/dbraw/zinc/24/67/79/312246779.db2.gz IKGFWMCKPRYWKV-UHFFFAOYSA-N 0 0 326.352 3.295 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2COc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000515015745 312260590 /nfs/dbraw/zinc/26/05/90/312260590.db2.gz WMGYANIEBRLSRJ-ZDUSSCGKSA-N 0 0 345.330 3.168 10 5 EGBERN Cc1cc(N2CCC(CCC[NH+](C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516184874 312313180 /nfs/dbraw/zinc/31/31/80/312313180.db2.gz IFCGTGYEDKVJIS-UHFFFAOYSA-N 0 0 349.431 3.160 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000516247958 312316811 /nfs/dbraw/zinc/31/68/11/312316811.db2.gz ORQICKVEJBNKOV-HZPDHXFCSA-N 0 0 327.384 3.390 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC1CCCC1 ZINC000516786180 312341975 /nfs/dbraw/zinc/34/19/75/312341975.db2.gz JZQQADNDLBNSPM-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN C[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000517473984 312380086 /nfs/dbraw/zinc/38/00/86/312380086.db2.gz QSCCSFSHODTUGQ-ZDUSSCGKSA-N 0 0 337.379 3.298 10 5 EGBERN Cc1nn(Cc2ccc(C(=O)N3[C@@H](C)C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000526932258 312803477 /nfs/dbraw/zinc/80/34/77/312803477.db2.gz JAYFAEULDKCKGQ-RYUDHWBXSA-N 0 0 342.399 3.079 10 5 EGBERN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000527057266 312822449 /nfs/dbraw/zinc/82/24/49/312822449.db2.gz KVJTUPJZGQFTLC-OAHLLOKOSA-N 0 0 327.384 3.235 10 5 EGBERN CCc1nc(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])cs1 ZINC000532333964 313785907 /nfs/dbraw/zinc/78/59/07/313785907.db2.gz DJBPFCJAVMEUMX-UHFFFAOYSA-N 0 0 325.365 3.398 10 5 EGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000534271684 313964406 /nfs/dbraw/zinc/96/44/06/313964406.db2.gz UZKSZHPJDUMIGS-QWHCGFSZSA-N 0 0 342.399 3.344 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000538329711 314240792 /nfs/dbraw/zinc/24/07/92/314240792.db2.gz SRGQGLUZDZMAJQ-ZDUSSCGKSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1Cl ZINC000540880603 314410346 /nfs/dbraw/zinc/41/03/46/314410346.db2.gz BYLXBNVHGDEAOX-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN Cc1cc(NCc2ccc([N+](=O)[O-])cc2C)ncc1Br ZINC000542753195 314574035 /nfs/dbraw/zinc/57/40/35/314574035.db2.gz AKJUEXUNNYPKBD-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCCc2cccc(F)c2F)c1 ZINC000544087480 314671704 /nfs/dbraw/zinc/67/17/04/314671704.db2.gz NLMNYYMUVZVPOA-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)nc1 ZINC000547080810 314873133 /nfs/dbraw/zinc/87/31/33/314873133.db2.gz VKMXVNBLTGFFKK-UHFFFAOYSA-N 0 0 336.229 3.319 10 5 EGBERN CCOC(=O)C(C)(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551689780 315163718 /nfs/dbraw/zinc/16/37/18/315163718.db2.gz RPEGOOFLZKTVTE-UHFFFAOYSA-N 0 0 336.388 3.420 10 5 EGBERN Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000551786718 315168324 /nfs/dbraw/zinc/16/83/24/315168324.db2.gz FRKMYNGSULRRHQ-ZETCQYMHSA-N 0 0 341.776 3.419 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(C(F)(F)F)CC1 ZINC000553943994 315290592 /nfs/dbraw/zinc/29/05/92/315290592.db2.gz MZCCIKQBYMTQRC-UHFFFAOYSA-N 0 0 345.321 3.121 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000555898602 315408097 /nfs/dbraw/zinc/40/80/97/315408097.db2.gz VRHLGVPMUBPOSQ-OAHLLOKOSA-N 0 0 341.367 3.209 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000556826207 315471381 /nfs/dbraw/zinc/47/13/81/315471381.db2.gz OOQFESUDYRVYHF-UHFFFAOYSA-N 0 0 335.360 3.152 10 5 EGBERN COc1cc(C(=O)NCC(C)(C)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000558697153 315594743 /nfs/dbraw/zinc/59/47/43/315594743.db2.gz IWCXLXGKSMFJQU-UHFFFAOYSA-N 0 0 334.294 3.230 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCC[C@H]1F ZINC000560862951 315728818 /nfs/dbraw/zinc/72/88/18/315728818.db2.gz YRKNWZISOCWWIW-GDBMZVCRSA-N 0 0 348.378 3.199 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000561109048 315741226 /nfs/dbraw/zinc/74/12/26/315741226.db2.gz XSDRHLVGTGTSCN-GFCCVEGCSA-N 0 0 329.356 3.282 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000563426415 316019571 /nfs/dbraw/zinc/01/95/71/316019571.db2.gz LTOAJWMLWSOWMA-KSSFIOAISA-N 0 0 346.358 3.321 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](O)Cc2ccccc2)n1 ZINC000564438549 316152400 /nfs/dbraw/zinc/15/24/00/316152400.db2.gz MNCHVHGDJLKGKF-HNNXBMFYSA-N 0 0 339.351 3.099 10 5 EGBERN COC(=O)Cc1cccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000564894298 316228132 /nfs/dbraw/zinc/22/81/32/316228132.db2.gz YMQBGRPOZQMNNN-UHFFFAOYSA-N 0 0 342.351 3.376 10 5 EGBERN CC(C)Oc1nccnc1NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565324215 316309335 /nfs/dbraw/zinc/30/93/35/316309335.db2.gz DBRMTBSQLFKBTH-UHFFFAOYSA-N 0 0 341.371 3.308 10 5 EGBERN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCSC1 ZINC000565452146 316324921 /nfs/dbraw/zinc/32/49/21/316324921.db2.gz WZIOVWSXORMDBE-QMMMGPOBSA-N 0 0 334.319 3.191 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2[C@@H]2CCCOC2)cc(C)c1[N+](=O)[O-] ZINC000566971794 316552023 /nfs/dbraw/zinc/55/20/23/316552023.db2.gz PFIGRCLKSFIWRS-CJNGLKHVSA-N 0 0 348.399 3.085 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000567329464 316600708 /nfs/dbraw/zinc/60/07/08/316600708.db2.gz KPIRRMWPSKCVCB-UHFFFAOYSA-N 0 0 331.347 3.034 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOCC1CCC1 ZINC000567566191 316635393 /nfs/dbraw/zinc/63/53/93/316635393.db2.gz PFGBYOXZULZDTN-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN CCc1nn(C)c(N2CC(Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000568553547 316790756 /nfs/dbraw/zinc/79/07/56/316790756.db2.gz UPERZXFRURTMAF-UHFFFAOYSA-N 0 0 334.807 3.223 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000569300816 316892896 /nfs/dbraw/zinc/89/28/96/316892896.db2.gz RKGZQDHRMHAEDG-NWDGAFQWSA-N 0 0 342.351 3.304 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1OC ZINC000569466896 316919168 /nfs/dbraw/zinc/91/91/68/316919168.db2.gz NIKSOJVSCSKXOL-UHFFFAOYSA-N 0 0 329.356 3.216 10 5 EGBERN Nc1nc(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cs1 ZINC000569768036 316960028 /nfs/dbraw/zinc/96/00/28/316960028.db2.gz XTTDCYLHLCHGDQ-UHFFFAOYSA-N 0 0 333.200 3.425 10 5 EGBERN Cc1cc2c(NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)nccn2n1 ZINC000570478593 317061492 /nfs/dbraw/zinc/06/14/92/317061492.db2.gz JDJXRKLEVUFDLH-UHFFFAOYSA-N 0 0 336.355 3.082 10 5 EGBERN CC[C@@H](NS(=O)(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178362108 454951753 /nfs/dbraw/zinc/95/17/53/454951753.db2.gz QUBNKQQDHXAGFV-OAHLLOKOSA-N 0 0 326.418 3.156 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000573688377 317518594 /nfs/dbraw/zinc/51/85/94/317518594.db2.gz IHYIIJGLBKVKIF-NRXISQOPSA-N 0 0 332.400 3.367 10 5 EGBERN CC(C)Oc1nc(N[C@H](c2cccnc2)C2CC2)ccc1[N+](=O)[O-] ZINC000574704706 317627577 /nfs/dbraw/zinc/62/75/77/317627577.db2.gz ZVNGBCQCMHPPCH-INIZCTEOSA-N 0 0 328.372 3.157 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179257216 323376453 /nfs/dbraw/zinc/37/64/53/323376453.db2.gz ANYOFKITRBQMMH-ZDUSSCGKSA-N 0 0 343.383 3.073 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)C1CCOCC1 ZINC000179350672 323383036 /nfs/dbraw/zinc/38/30/36/323383036.db2.gz ZROHPNIEBIUZLT-CQSZACIVSA-N 0 0 334.416 3.395 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182150720 323528439 /nfs/dbraw/zinc/52/84/39/323528439.db2.gz DXBMSXVUPYABQQ-JTQLQIEISA-N 0 0 346.314 3.263 10 5 EGBERN CCOc1cccc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000184132001 323642861 /nfs/dbraw/zinc/64/28/61/323642861.db2.gz VPHXEARFACSQBA-LBPRGKRZSA-N 0 0 336.388 3.162 10 5 EGBERN CCc1cnccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185023572 323685088 /nfs/dbraw/zinc/68/50/88/323685088.db2.gz JQSILYOSBRVDOZ-UHFFFAOYSA-N 0 0 325.368 3.357 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350606961 324104795 /nfs/dbraw/zinc/10/47/95/324104795.db2.gz GOSMPGZRBRKLTO-GXSJLCMTSA-N 0 0 328.328 3.266 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cncs3)no2)ccc1OC(F)F ZINC000350917861 324139146 /nfs/dbraw/zinc/13/91/46/324139146.db2.gz UIDYCAVFVXWBQA-UHFFFAOYSA-N 0 0 340.267 3.370 10 5 EGBERN CC(C)(C)n1cc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000350945527 324144478 /nfs/dbraw/zinc/14/44/78/324144478.db2.gz JDWDBHSZPUQDMY-UHFFFAOYSA-N 0 0 343.343 3.175 10 5 EGBERN CC(C)(C)n1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000350948633 324145235 /nfs/dbraw/zinc/14/52/35/324145235.db2.gz QRDFKJKTGRDWAN-UHFFFAOYSA-N 0 0 343.343 3.175 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000578331302 324954030 /nfs/dbraw/zinc/95/40/30/324954030.db2.gz NJWAWZMCCUNKMW-CABZTGNLSA-N 0 0 348.321 3.141 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000579973090 325185673 /nfs/dbraw/zinc/18/56/73/325185673.db2.gz VAVRTZYKYGMOQQ-MLGOLLRUSA-N 0 0 329.356 3.331 10 5 EGBERN COc1ccccc1CCN(C)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000580116170 325205354 /nfs/dbraw/zinc/20/53/54/325205354.db2.gz GSHZDRUBQZZBSD-UHFFFAOYSA-N 0 0 328.368 3.485 10 5 EGBERN CN1C(=O)CCc2cc(Nc3c4ccccc4ncc3[N+](=O)[O-])ccc21 ZINC000580145143 325207697 /nfs/dbraw/zinc/20/76/97/325207697.db2.gz YCBJIPUDQZQDHK-UHFFFAOYSA-N 0 0 348.362 3.218 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000581193734 325340231 /nfs/dbraw/zinc/34/02/31/325340231.db2.gz PQTWJZCHXLEPCA-UHFFFAOYSA-N 0 0 348.359 3.162 10 5 EGBERN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000581624057 325377242 /nfs/dbraw/zinc/37/72/42/325377242.db2.gz QTMWOYYNUZJSBF-UHFFFAOYSA-N 0 0 341.701 3.165 10 5 EGBERN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582244313 325426299 /nfs/dbraw/zinc/42/62/99/325426299.db2.gz UTONKBRLAWGYKZ-ZIAGYGMSSA-N 0 0 349.431 3.463 10 5 EGBERN CO[C@H](C)c1cccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000582356037 325434961 /nfs/dbraw/zinc/43/49/61/325434961.db2.gz RRDPXDPCGGRFQK-CJNGLKHVSA-N 0 0 346.383 3.154 10 5 EGBERN O=C(COc1cccc2cccnc21)Nc1ccc([N+](=O)[O-])cc1F ZINC000582692664 325462123 /nfs/dbraw/zinc/46/21/23/325462123.db2.gz HUCODHBVGNXDMH-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN Cc1ccc(F)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000582748908 325466663 /nfs/dbraw/zinc/46/66/63/325466663.db2.gz NZVHZSQSRKGSQP-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000173246864 455253347 /nfs/dbraw/zinc/25/33/47/455253347.db2.gz IINRRCGFNKINRR-KSSFIOAISA-N 0 0 340.379 3.126 10 5 EGBERN Cc1cccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000189939243 455257590 /nfs/dbraw/zinc/25/75/90/455257590.db2.gz NULBAPLPERTBRL-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN COc1cc(C(=O)N(C)CCc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000189989139 455266901 /nfs/dbraw/zinc/26/69/01/455266901.db2.gz SXYBDDGBXXERCX-UHFFFAOYSA-N 0 0 346.358 3.366 10 5 EGBERN CC[C@H](NS(=O)(=O)c1cc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000183281930 455270041 /nfs/dbraw/zinc/27/00/41/455270041.db2.gz QJICJSLVGUXCMU-AWEZNQCLSA-N 0 0 338.385 3.234 10 5 EGBERN COc1cc(C(=O)Nc2ccnc(SC)c2)cc([N+](=O)[O-])c1C ZINC000616412042 460549357 /nfs/dbraw/zinc/54/93/57/460549357.db2.gz JKBFBYIMGXNCIT-UHFFFAOYSA-N 0 0 333.369 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173449941 455285015 /nfs/dbraw/zinc/28/50/15/455285015.db2.gz XRZMCONVYSYLCC-CQSZACIVSA-N 0 0 344.371 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccccc1F ZINC000003285307 452758477 /nfs/dbraw/zinc/75/84/77/452758477.db2.gz WPPDUXASVVDFNA-SNVBAGLBSA-N 0 0 333.319 3.182 10 5 EGBERN COc1c(C)cccc1C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004589745 452810322 /nfs/dbraw/zinc/81/03/22/452810322.db2.gz YNPYGQVDEXIICA-GDNBJRDFSA-N 0 0 338.319 3.256 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCCCCC2)C1=O ZINC000600682372 460568076 /nfs/dbraw/zinc/56/80/76/460568076.db2.gz MMXQXHYQKAPDRQ-QGZVFWFLSA-N 0 0 331.372 3.085 10 5 EGBERN COCc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000600700672 460572522 /nfs/dbraw/zinc/57/25/22/460572522.db2.gz JNWCDYRUNHRPDD-UHFFFAOYSA-N 0 0 344.367 3.239 10 5 EGBERN Cc1c(CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)cccc1[N+](=O)[O-] ZINC000600700511 460572870 /nfs/dbraw/zinc/57/28/70/460572870.db2.gz NAGUZFNWXPVYSL-GOSISDBHSA-N 0 0 345.399 3.294 10 5 EGBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000600710222 460574438 /nfs/dbraw/zinc/57/44/38/460574438.db2.gz UMMZGLSGKMOXOJ-UHFFFAOYSA-N 0 0 336.369 3.372 10 5 EGBERN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000008778426 453235296 /nfs/dbraw/zinc/23/52/96/453235296.db2.gz IILBLQUTVNRHBQ-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN CCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000009134172 453244629 /nfs/dbraw/zinc/24/46/29/453244629.db2.gz AZSFEEVWMVIESW-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000013017683 453440056 /nfs/dbraw/zinc/44/00/56/453440056.db2.gz XUGHXUMAMZIUPA-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](CCc1ccccc1)C(F)F ZINC000600792644 460607465 /nfs/dbraw/zinc/60/74/65/460607465.db2.gz KNOAYMWLWLPYHB-OAHLLOKOSA-N 0 0 349.337 3.328 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000600809991 460612266 /nfs/dbraw/zinc/61/22/66/460612266.db2.gz PMUVKCIECSLRKJ-XGACYXMMSA-N 0 0 332.400 3.351 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600807877 460612474 /nfs/dbraw/zinc/61/24/74/460612474.db2.gz WZGAUZVPSZVGFZ-DSYXLKISSA-N 0 0 348.399 3.430 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1CCOc1c(Cl)cccc1Cl ZINC000026483188 453801493 /nfs/dbraw/zinc/80/14/93/453801493.db2.gz JHCWZJHTASUVIP-UHFFFAOYSA-N 0 0 329.139 3.142 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000026716533 453804233 /nfs/dbraw/zinc/80/42/33/453804233.db2.gz OUSJJUBBJCHZAC-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000029774116 453831407 /nfs/dbraw/zinc/83/14/07/453831407.db2.gz BYUXTSCEPYPDNO-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN CCOc1ccc(F)cc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000066493136 453848506 /nfs/dbraw/zinc/84/85/06/453848506.db2.gz PMOHIVARUYRLFN-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000081260454 453853826 /nfs/dbraw/zinc/85/38/26/453853826.db2.gz PZZJYNXETHUZAD-AWEZNQCLSA-N 0 0 330.388 3.135 10 5 EGBERN O=C(Nc1cccc(CNc2ccncc2[N+](=O)[O-])c1)C1CCC1 ZINC000066808330 453875632 /nfs/dbraw/zinc/87/56/32/453875632.db2.gz DHYCXJSPXJQZKE-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000066851608 453880443 /nfs/dbraw/zinc/88/04/43/453880443.db2.gz YCZFCTMFGIHRBH-KXBFYZLASA-N 0 0 342.395 3.436 10 5 EGBERN CC(C)c1nnc(Sc2ncccc2[N+](=O)[O-])n1Cc1ccco1 ZINC000054371113 453926928 /nfs/dbraw/zinc/92/69/28/453926928.db2.gz GKUVUVDSAACSCR-UHFFFAOYSA-N 0 0 345.384 3.497 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000067515466 453937461 /nfs/dbraw/zinc/93/74/61/453937461.db2.gz YSSXFAOBYPSEIO-WMZOPIPTSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)n1C1CC1 ZINC000040091180 453947641 /nfs/dbraw/zinc/94/76/41/453947641.db2.gz JGYSRNZICJNLGI-JTQLQIEISA-N 0 0 345.428 3.374 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000068002803 453988385 /nfs/dbraw/zinc/98/83/85/453988385.db2.gz ILGPRLSWMILVSD-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000068229342 454009668 /nfs/dbraw/zinc/00/96/68/454009668.db2.gz OXXDKJNPADRMLB-VIFPVBQESA-N 0 0 336.779 3.415 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1[S@](=O)C[C@@H]1CCCCO1 ZINC000085234518 454020308 /nfs/dbraw/zinc/02/03/08/454020308.db2.gz OUIGRKUGELHIQT-OVWNDWIMSA-N 0 0 348.218 3.034 10 5 EGBERN Cc1sc(C(=O)N(C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000043744419 454076016 /nfs/dbraw/zinc/07/60/16/454076016.db2.gz BTDZATJVUQDVLH-UHFFFAOYSA-N 0 0 338.360 3.255 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000077222669 454077643 /nfs/dbraw/zinc/07/76/43/454077643.db2.gz UEPFKEMTWCNVDQ-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077295161 454087603 /nfs/dbraw/zinc/08/76/03/454087603.db2.gz BRMRUDRLXOWKGP-GFCCVEGCSA-N 0 0 332.381 3.445 10 5 EGBERN CC(C)[C@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000069366095 454099633 /nfs/dbraw/zinc/09/96/33/454099633.db2.gz KNNWIXLAZONTNF-STQMWFEESA-N 0 0 349.431 3.143 10 5 EGBERN Cc1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000159953209 455418571 /nfs/dbraw/zinc/41/85/71/455418571.db2.gz NVKKBWONIUZWAQ-UHFFFAOYSA-N 0 0 326.356 3.142 10 5 EGBERN COc1cc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])cc1F ZINC000089601763 454166173 /nfs/dbraw/zinc/16/61/73/454166173.db2.gz WVDXEOSOYCXDDX-KRWDZBQOSA-N 0 0 348.330 3.026 10 5 EGBERN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000078022044 454177279 /nfs/dbraw/zinc/17/72/79/454177279.db2.gz HXIRLKUSNDZLQK-CQSZACIVSA-N 0 0 333.367 3.323 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccoc3)cc2[N+](=O)[O-])C1 ZINC000045835833 454187872 /nfs/dbraw/zinc/18/78/72/454187872.db2.gz UMPXDCBWBDBNDE-ZDUSSCGKSA-N 0 0 343.383 3.354 10 5 EGBERN O=C(Nc1nnc(C(F)F)s1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130358898 454192859 /nfs/dbraw/zinc/19/28/59/454192859.db2.gz NWCWWPXBBQZPBT-UHFFFAOYSA-N 0 0 339.283 3.118 10 5 EGBERN COc1ccc(CNc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000095429143 454210112 /nfs/dbraw/zinc/21/01/12/454210112.db2.gz ALVVGBKAMBIFPM-QHCPKHFHSA-N 0 0 334.397 3.094 10 5 EGBERN CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130904924 454224540 /nfs/dbraw/zinc/22/45/40/454224540.db2.gz YRFFZRLVJDIZQB-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN Cc1nc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)s1 ZINC000130913627 454225482 /nfs/dbraw/zinc/22/54/82/454225482.db2.gz QADJHSYZKMDBOW-SECBINFHSA-N 0 0 331.397 3.188 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1scnc1C1CC1 ZINC000089888171 454226341 /nfs/dbraw/zinc/22/63/41/454226341.db2.gz BSHLTFJMMXYQJN-UHFFFAOYSA-N 0 0 329.341 3.057 10 5 EGBERN CC(C)NC(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000078371687 454242950 /nfs/dbraw/zinc/24/29/50/454242950.db2.gz GFNXYYRGHLJDOP-GJZGRUSLSA-N 0 0 329.400 3.135 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000131306542 454245495 /nfs/dbraw/zinc/24/54/95/454245495.db2.gz VXEOTACQFNQVEW-LLVKDONJSA-N 0 0 335.385 3.331 10 5 EGBERN COc1cc(CN2CCCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089981821 454253831 /nfs/dbraw/zinc/25/38/31/454253831.db2.gz WODSPWFXLYUSGB-UHFFFAOYSA-N 0 0 348.371 3.144 10 5 EGBERN O=C(Oc1ccccc1-c1nnco1)c1ccc(F)cc1[N+](=O)[O-] ZINC000095988954 454254526 /nfs/dbraw/zinc/25/45/26/454254526.db2.gz NYFBZTVTGBDLPI-UHFFFAOYSA-N 0 0 329.243 3.003 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2nccc(C)c2[N+](=O)[O-])cs1 ZINC000078475660 454258802 /nfs/dbraw/zinc/25/88/02/454258802.db2.gz CULZWBVBBFMMOC-NSHDSACASA-N 0 0 336.417 3.489 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599117 454264099 /nfs/dbraw/zinc/26/40/99/454264099.db2.gz XCTNTISTQLSFNV-UHFFFAOYSA-N 0 0 341.411 3.075 10 5 EGBERN Cc1noc(COc2ccc(Oc3ncc(C)cc3[N+](=O)[O-])cc2)n1 ZINC000078664216 454294734 /nfs/dbraw/zinc/29/47/34/454294734.db2.gz VYJUYIPSLPGLRT-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN CC[C@H](NS(=O)(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090222252 454294843 /nfs/dbraw/zinc/29/48/43/454294843.db2.gz QUBNKQQDHXAGFV-HNNXBMFYSA-N 0 0 326.418 3.156 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000060500207 454296532 /nfs/dbraw/zinc/29/65/32/454296532.db2.gz OZXXGNINNBTXJZ-INIZCTEOSA-N 0 0 340.379 3.281 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCC(F)(F)F ZINC000090505994 454312423 /nfs/dbraw/zinc/31/24/23/454312423.db2.gz SAZFKLGTICAVSC-QMMMGPOBSA-N 0 0 334.319 3.168 10 5 EGBERN CC[C@H](NC(=O)NCCOCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090553071 454321456 /nfs/dbraw/zinc/32/14/56/454321456.db2.gz IDHWSYUEBYUKCV-INIZCTEOSA-N 0 0 337.420 3.408 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090613843 454327323 /nfs/dbraw/zinc/32/73/23/454327323.db2.gz AAJVYJVWIAEQAC-LRDDRELGSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000120666423 454333205 /nfs/dbraw/zinc/33/32/05/454333205.db2.gz HTAAHEXXLOZZIR-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN CC[C@H](NC(=O)N(C[C@H]1CCOC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090686228 454335520 /nfs/dbraw/zinc/33/55/20/454335520.db2.gz IHOURZYCBVSLQT-DYVFJYSZSA-N 0 0 347.415 3.256 10 5 EGBERN Cn1c(=O)c2ccsc2nc1SCc1csc([N+](=O)[O-])c1 ZINC000047171892 454336219 /nfs/dbraw/zinc/33/62/19/454336219.db2.gz JFWCQLMOALMSGC-UHFFFAOYSA-N 0 0 339.423 3.257 10 5 EGBERN Cc1c(NC(=O)c2csc(-c3ncccn3)n2)cccc1[N+](=O)[O-] ZINC000047206633 454340617 /nfs/dbraw/zinc/34/06/17/454340617.db2.gz VYTMSTDLKYLVON-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000047265983 454349777 /nfs/dbraw/zinc/34/97/77/454349777.db2.gz FBGPAFWYSUOWHD-UHFFFAOYSA-N 0 0 345.424 3.181 10 5 EGBERN CCn1nc(C)cc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142421 454415267 /nfs/dbraw/zinc/41/52/67/454415267.db2.gz HWVBFHYIBJRKQS-UHFFFAOYSA-N 0 0 339.355 3.229 10 5 EGBERN CC1(C)Cc2cccc(OCCNc3ncccc3[N+](=O)[O-])c2O1 ZINC000048248289 454461975 /nfs/dbraw/zinc/46/19/75/454461975.db2.gz FRZIORPMHPMNCL-UHFFFAOYSA-N 0 0 329.356 3.194 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)s1 ZINC000064245007 454468982 /nfs/dbraw/zinc/46/89/82/454468982.db2.gz SEZZVPNKGHYUTL-LBPRGKRZSA-N 0 0 338.410 3.182 10 5 EGBERN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242261 454469171 /nfs/dbraw/zinc/46/91/71/454469171.db2.gz UAFMIAKXNQYHIC-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccccc1)C1CCCCC1 ZINC000121985389 454501103 /nfs/dbraw/zinc/50/11/03/454501103.db2.gz UCIYDHMEIGBAOW-UHFFFAOYSA-N 0 0 342.399 3.153 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC(=O)Nc2c(C)cccc2C)c1 ZINC000092585249 454591440 /nfs/dbraw/zinc/59/14/40/454591440.db2.gz VSRVICLGADCQGO-UHFFFAOYSA-N 0 0 347.346 3.410 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000080534066 454595278 /nfs/dbraw/zinc/59/52/78/454595278.db2.gz LCHORNSQJWVOBQ-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000065590073 454597455 /nfs/dbraw/zinc/59/74/55/454597455.db2.gz FGSKLYUWFQNZIC-LBPRGKRZSA-N 0 0 327.388 3.465 10 5 EGBERN COC(=O)c1cc(Nc2cccc(N(C)C(C)=O)c2)ccc1[N+](=O)[O-] ZINC000092663109 454605233 /nfs/dbraw/zinc/60/52/33/454605233.db2.gz JTKFZBMNHOVYSY-UHFFFAOYSA-N 0 0 343.339 3.108 10 5 EGBERN COC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(C)(C)C ZINC000092673916 454607543 /nfs/dbraw/zinc/60/75/43/454607543.db2.gz XEWHPPNMLSNCOY-NSHDSACASA-N 0 0 332.303 3.196 10 5 EGBERN COCCOc1ccccc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000123179506 454611624 /nfs/dbraw/zinc/61/16/24/454611624.db2.gz BKIXQCYYDNMNPN-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000080751101 454627452 /nfs/dbraw/zinc/62/74/52/454627452.db2.gz SILFYHSOEMIPKJ-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN CCc1ccc(CN2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)s1 ZINC000074764832 454630969 /nfs/dbraw/zinc/63/09/69/454630969.db2.gz PQWBZZUPMCWXDF-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000135589395 454692311 /nfs/dbraw/zinc/69/23/11/454692311.db2.gz BESCIAYUYHXSGF-UHFFFAOYSA-N 0 0 327.178 3.420 10 5 EGBERN COCc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161663251 454712379 /nfs/dbraw/zinc/71/23/79/454712379.db2.gz HOKWREIUNHJIGP-UHFFFAOYSA-N 0 0 325.324 3.475 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)c2cccs2)cc([N+](=O)[O-])c1 ZINC000136148705 454724140 /nfs/dbraw/zinc/72/41/40/454724140.db2.gz BHPFNJWSIXNIIL-UHFFFAOYSA-N 0 0 348.380 3.359 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000152787670 454725612 /nfs/dbraw/zinc/72/56/12/454725612.db2.gz DAVWSHTWUATMGM-YGRLFVJLSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152816624 454729048 /nfs/dbraw/zinc/72/90/48/454729048.db2.gz OTKVJDJSUAZKAJ-SNVBAGLBSA-N 0 0 334.397 3.421 10 5 EGBERN CCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1cnccn1 ZINC000124403945 454729403 /nfs/dbraw/zinc/72/94/03/454729403.db2.gz GXJSHEUFQOYNTG-UHFFFAOYSA-N 0 0 348.413 3.017 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161865403 454730911 /nfs/dbraw/zinc/73/09/11/454730911.db2.gz UTAXLULMBONGRF-SFHVURJKSA-N 0 0 349.346 3.394 10 5 EGBERN CC[C@@H](NC(=O)NCc1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000176354882 454733844 /nfs/dbraw/zinc/73/38/44/454733844.db2.gz QDYLOAYFNIQKGB-CYBMUJFWSA-N 0 0 334.401 3.310 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000124655806 454757661 /nfs/dbraw/zinc/75/76/61/454757661.db2.gz GCPAHHBFCCUESA-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN C[C@@H](OC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1[N+](=O)[O-] ZINC000124745355 454766651 /nfs/dbraw/zinc/76/66/51/454766651.db2.gz FCINIIACXKVQDK-GFCCVEGCSA-N 0 0 338.323 3.094 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(-c3ccsc3)no1)C2 ZINC000153404833 454790244 /nfs/dbraw/zinc/79/02/44/454790244.db2.gz LTMQZAWREAMLCR-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN COc1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C(C)=O)cc1 ZINC000138369879 454791731 /nfs/dbraw/zinc/79/17/31/454791731.db2.gz KNONZUWEUVHVAP-UHFFFAOYSA-N 0 0 328.368 3.195 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153635162 454815520 /nfs/dbraw/zinc/81/55/20/454815520.db2.gz QJJINBVHWGFDKE-UHFFFAOYSA-N 0 0 334.401 3.456 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893738 454937244 /nfs/dbraw/zinc/93/72/44/454937244.db2.gz CXTOEFJLWNNKKO-HNNXBMFYSA-N 0 0 346.412 3.164 10 5 EGBERN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000127283772 454950245 /nfs/dbraw/zinc/95/02/45/454950245.db2.gz DOYGTNXMPORKIN-JTQLQIEISA-N 0 0 335.310 3.433 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000170654000 454950501 /nfs/dbraw/zinc/95/05/01/454950501.db2.gz ALUZEZMIVPMZCS-KRWDZBQOSA-N 0 0 341.367 3.070 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000127359595 454957252 /nfs/dbraw/zinc/95/72/52/454957252.db2.gz KUPXKAZFDQRQAW-HZPDHXFCSA-N 0 0 332.400 3.323 10 5 EGBERN CCOCCC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000127707980 454990082 /nfs/dbraw/zinc/99/00/82/454990082.db2.gz VJJPEZVRZNVBEG-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000115240509 455007299 /nfs/dbraw/zinc/00/72/99/455007299.db2.gz QTQMBIPXHADYAG-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000115277548 455008828 /nfs/dbraw/zinc/00/88/28/455008828.db2.gz ANSAFCLIZZSGGU-SWLSCSKDSA-N 0 0 336.436 3.131 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O ZINC000151748212 455025329 /nfs/dbraw/zinc/02/53/29/455025329.db2.gz BLPFRCMEBZQWQZ-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000151747150 455025694 /nfs/dbraw/zinc/02/56/94/455025694.db2.gz QIZFHMFQJCYJHD-GTNSWQLSSA-N 0 0 344.342 3.198 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128101625 455026158 /nfs/dbraw/zinc/02/61/58/455026158.db2.gz IZFFKAJHMYRCBT-BZNIZROVSA-N 0 0 338.791 3.015 10 5 EGBERN COc1cc(CN2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621433 455061927 /nfs/dbraw/zinc/06/19/27/455061927.db2.gz URHPOMPLCDCZOO-NSHDSACASA-N 0 0 348.321 3.386 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000172094058 455120762 /nfs/dbraw/zinc/12/07/62/455120762.db2.gz YCMTXVNPRPLRLO-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN CC[C@@H](NC(=O)NCc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000129937990 455133761 /nfs/dbraw/zinc/13/37/61/455133761.db2.gz UHQQPDPZFUYNNQ-CQSZACIVSA-N 0 0 332.335 3.079 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733063 455147368 /nfs/dbraw/zinc/14/73/68/455147368.db2.gz BHPDUJSAEZZOTB-GFCCVEGCSA-N 0 0 326.418 3.210 10 5 EGBERN C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 ZINC000180552453 455195658 /nfs/dbraw/zinc/19/56/58/455195658.db2.gz UIZXBGHBAWKGCJ-IINYFYTJSA-N 0 0 345.380 3.027 10 5 EGBERN CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180652301 455218849 /nfs/dbraw/zinc/21/88/49/455218849.db2.gz CFSPBNYSNDIPIF-GOEBONIOSA-N 0 0 343.431 3.365 10 5 EGBERN CCc1ccc(C(=O)N(C)CCc2ccccc2OC)cc1[N+](=O)[O-] ZINC000173387031 455277826 /nfs/dbraw/zinc/27/78/26/455277826.db2.gz WIEBKSBINWUJLJ-UHFFFAOYSA-N 0 0 342.395 3.481 10 5 EGBERN CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000183405754 455289036 /nfs/dbraw/zinc/28/90/36/455289036.db2.gz HPVHGZCFFOMDJG-XJKSGUPXSA-N 0 0 335.404 3.012 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173935913 455342753 /nfs/dbraw/zinc/34/27/53/455342753.db2.gz ZONQNJXSTTYHIP-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000181600050 455360678 /nfs/dbraw/zinc/36/06/78/455360678.db2.gz VTJSZTHRMYVZIZ-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)c1 ZINC000245739363 455369692 /nfs/dbraw/zinc/36/96/92/455369692.db2.gz LKODGBSRYRAKAV-INIZCTEOSA-N 0 0 327.384 3.135 10 5 EGBERN Cc1c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000174544132 455401990 /nfs/dbraw/zinc/40/19/90/455401990.db2.gz DJZCIWZQPRXAFJ-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN COc1ccc(OC(=O)C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000191014487 455425577 /nfs/dbraw/zinc/42/55/77/455425577.db2.gz CGGDDULNQAZQBT-GFCCVEGCSA-N 0 0 343.335 3.465 10 5 EGBERN Cc1sc2nc(CSc3ccc([N+](=O)[O-])cn3)nc(N)c2c1C ZINC000160111388 455429304 /nfs/dbraw/zinc/42/93/04/455429304.db2.gz ZBNFMQVBZZFWCH-UHFFFAOYSA-N 0 0 347.425 3.486 10 5 EGBERN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000175695454 455483542 /nfs/dbraw/zinc/48/35/42/455483542.db2.gz HZECLWXPXYKHGO-HOTGVXAUSA-N 0 0 349.431 3.354 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000266961607 455484307 /nfs/dbraw/zinc/48/43/07/455484307.db2.gz UJTGMCKUUANWBD-QGZVFWFLSA-N 0 0 342.399 3.099 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000266961604 455484331 /nfs/dbraw/zinc/48/43/31/455484331.db2.gz UJTGMCKUUANWBD-KRWDZBQOSA-N 0 0 342.399 3.099 10 5 EGBERN CS[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182305947 455485022 /nfs/dbraw/zinc/48/50/22/455485022.db2.gz HYWFRQBRDGKPGC-ZETCQYMHSA-N 0 0 333.207 3.437 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000191473794 455487333 /nfs/dbraw/zinc/48/73/33/455487333.db2.gz URZLUZVIOXNLHH-GFCCVEGCSA-N 0 0 342.399 3.181 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccccc3)cn2)n1 ZINC000191598266 455502275 /nfs/dbraw/zinc/50/22/75/455502275.db2.gz JINBXLHRZRQLHR-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)n1 ZINC000191718250 455513271 /nfs/dbraw/zinc/51/32/71/455513271.db2.gz XKWBNGXDSVNJFN-HNNXBMFYSA-N 0 0 342.399 3.352 10 5 EGBERN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000160992082 455521620 /nfs/dbraw/zinc/52/16/20/455521620.db2.gz YTPXFYDJDSMVRE-GJZGRUSLSA-N 0 0 336.436 3.225 10 5 EGBERN CCc1nc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000185216153 455522697 /nfs/dbraw/zinc/52/26/97/455522697.db2.gz UMPUKCKJMYDLRZ-VIFPVBQESA-N 0 0 337.376 3.173 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)(C)C)c2O)n1 ZINC000191895842 455529341 /nfs/dbraw/zinc/52/93/41/455529341.db2.gz CDDVWBWNHYIYIJ-UHFFFAOYSA-N 0 0 332.360 3.067 10 5 EGBERN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161094774 455532422 /nfs/dbraw/zinc/53/24/22/455532422.db2.gz HKNXJQDRLICWPI-NWDGAFQWSA-N 0 0 348.428 3.428 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000185284768 455534079 /nfs/dbraw/zinc/53/40/79/455534079.db2.gz KOLHUILVTRPERM-YOEHRIQHSA-N 0 0 340.379 3.413 10 5 EGBERN Cc1ccc([C@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000182569061 455543822 /nfs/dbraw/zinc/54/38/22/455543822.db2.gz CLCPTHVHCSFUHU-NSHDSACASA-N 0 0 328.328 3.397 10 5 EGBERN Cc1csc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000182585925 455547796 /nfs/dbraw/zinc/54/77/96/455547796.db2.gz KTIUVMRIAOHISZ-SSDOTTSWSA-N 0 0 325.415 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000185904000 455649157 /nfs/dbraw/zinc/64/91/57/455649157.db2.gz AHKYKWJSORPBAK-UHFFFAOYSA-N 0 0 340.379 3.027 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277782580 455665115 /nfs/dbraw/zinc/66/51/15/455665115.db2.gz NWNZXLSWLHHIMZ-QKCSRTOESA-N 0 0 332.322 3.291 10 5 EGBERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000277863301 455689435 /nfs/dbraw/zinc/68/94/35/455689435.db2.gz ODPZWCQBZGMISJ-KOLCDFICSA-N 0 0 331.376 3.026 10 5 EGBERN COc1cccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1[N+](=O)[O-] ZINC000192844242 455704357 /nfs/dbraw/zinc/70/43/57/455704357.db2.gz XIORZVINFKMWCR-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN COCc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000186625985 455806759 /nfs/dbraw/zinc/80/67/59/455806759.db2.gz IZKFUNFCIAVDFZ-CYBMUJFWSA-N 0 0 340.379 3.262 10 5 EGBERN CC(C)(C(=O)NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000269377769 455845582 /nfs/dbraw/zinc/84/55/82/455845582.db2.gz BUIFNPXRHSAASD-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN C[C@H](CCCO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295483346 455850930 /nfs/dbraw/zinc/85/09/30/455850930.db2.gz RDFQUBFNBNUZEG-CYBMUJFWSA-N 0 0 338.407 3.232 10 5 EGBERN C[C@@H](CCCCO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295764510 455858675 /nfs/dbraw/zinc/85/86/75/455858675.db2.gz KCYNKTRIUZCJSQ-ZDUSSCGKSA-N 0 0 338.407 3.375 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187006972 455862451 /nfs/dbraw/zinc/86/24/51/455862451.db2.gz OCSJFQNTZMSXBV-TZMCWYRMSA-N 0 0 335.404 3.221 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296412763 455931804 /nfs/dbraw/zinc/93/18/04/455931804.db2.gz LCDNNDBFDPSUHX-CQSZACIVSA-N 0 0 329.759 3.282 10 5 EGBERN COc1ccccc1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195487320 455968087 /nfs/dbraw/zinc/96/80/87/455968087.db2.gz LOTNZCUPCGRMMF-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000188186460 456016665 /nfs/dbraw/zinc/01/66/65/456016665.db2.gz YHYHQXPUYSGGGU-MRXNPFEDSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000217215037 456032451 /nfs/dbraw/zinc/03/24/51/456032451.db2.gz ACDHWJHVRIBNEV-SJKOYZFVSA-N 0 0 346.408 3.115 10 5 EGBERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000262690156 456053119 /nfs/dbraw/zinc/05/31/19/456053119.db2.gz FXNYQUORMUMMRM-INIZCTEOSA-N 0 0 328.368 3.161 10 5 EGBERN CCSCC[C@H](C)N(C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281125823 456140634 /nfs/dbraw/zinc/14/06/34/456140634.db2.gz IASNCWBIAOYRMB-JTQLQIEISA-N 0 0 336.417 3.212 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301625835 456168167 /nfs/dbraw/zinc/16/81/67/456168167.db2.gz ZUDAGFMGMPLLIZ-LBPRGKRZSA-N 0 0 331.347 3.433 10 5 EGBERN CS[C@H]1CCC[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601118012 460717846 /nfs/dbraw/zinc/71/78/46/460717846.db2.gz CXOAOTSSCIXFOV-SFYZADRCSA-N 0 0 338.355 3.433 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301746160 456205781 /nfs/dbraw/zinc/20/57/81/456205781.db2.gz PGNHBLLKCVNSKR-APPDUMDISA-N 0 0 343.339 3.331 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000290072050 456231880 /nfs/dbraw/zinc/23/18/80/456231880.db2.gz GFENYUKBKNMCCI-ABAIWWIYSA-N 0 0 346.387 3.243 10 5 EGBERN CCc1noc(CC)c1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601127515 460720826 /nfs/dbraw/zinc/72/08/26/460720826.db2.gz IHJPYSOFJDMOBK-UHFFFAOYSA-N 0 0 347.297 3.072 10 5 EGBERN CC[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000301906322 456246765 /nfs/dbraw/zinc/24/67/65/456246765.db2.gz ZFBBIVIZPBRGGW-SECBINFHSA-N 0 0 335.301 3.039 10 5 EGBERN CC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000301916628 456251018 /nfs/dbraw/zinc/25/10/18/456251018.db2.gz AFNQUTSXIMGDPC-SSDOTTSWSA-N 0 0 347.443 3.080 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1=O ZINC000281509595 456252412 /nfs/dbraw/zinc/25/24/12/456252412.db2.gz HRQWZSOATYWNKV-GFCCVEGCSA-N 0 0 334.375 3.145 10 5 EGBERN Cc1cc(NCC(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004837 456268387 /nfs/dbraw/zinc/26/83/87/456268387.db2.gz KPAYSTUJCHDDON-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN C[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000302053895 456276469 /nfs/dbraw/zinc/27/64/69/456276469.db2.gz PUSDPLALTVAUDB-BZNIZROVSA-N 0 0 334.397 3.115 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)c(OC)c2)c1 ZINC000302089844 456284589 /nfs/dbraw/zinc/28/45/89/456284589.db2.gz LSDFIYCVYNWLRN-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302137218 456296598 /nfs/dbraw/zinc/29/65/98/456296598.db2.gz FGBMTRJDUKWMCR-AWEZNQCLSA-N 0 0 331.372 3.304 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(C3CC3)s2)c1 ZINC000302162057 456304159 /nfs/dbraw/zinc/30/41/59/456304159.db2.gz KBRBMGXKOYDTRM-UHFFFAOYSA-N 0 0 337.382 3.262 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(F)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275764835 456306420 /nfs/dbraw/zinc/30/64/20/456306420.db2.gz VGCDAXKVATVNJF-BLLLJJGKSA-N 0 0 346.358 3.169 10 5 EGBERN COC(=O)[C@H](Cc1ccc(F)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275764838 456307525 /nfs/dbraw/zinc/30/75/25/456307525.db2.gz VGCDAXKVATVNJF-LRDDRELGSA-N 0 0 346.358 3.169 10 5 EGBERN CC(=O)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302188384 456310702 /nfs/dbraw/zinc/31/07/02/456310702.db2.gz JRZKZPNAFJWNSJ-HNNXBMFYSA-N 0 0 344.346 3.034 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(C(F)F)CC1 ZINC000337234523 456339586 /nfs/dbraw/zinc/33/95/86/456339586.db2.gz BHCXCDAICJFSTR-UHFFFAOYSA-N 0 0 342.345 3.069 10 5 EGBERN COC(=O)c1cc(NCc2cc(F)ccc2OC)cc(C)c1[N+](=O)[O-] ZINC000302499906 456351003 /nfs/dbraw/zinc/35/10/03/456351003.db2.gz LERRWUPAIQRPJC-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN COc1ncc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1 ZINC000347776659 456363120 /nfs/dbraw/zinc/36/31/20/456363120.db2.gz LAPWIHUAHVNICF-UHFFFAOYSA-N 0 0 343.261 3.300 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000601147285 460730251 /nfs/dbraw/zinc/73/02/51/460730251.db2.gz YHZQZENYFNWVKO-QGZVFWFLSA-N 0 0 329.331 3.155 10 5 EGBERN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275991267 456365270 /nfs/dbraw/zinc/36/52/70/456365270.db2.gz UZLDFDSBSXDYMS-HDJSIYSDSA-N 0 0 334.416 3.268 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CC2CC2)c2ccccc2)c1 ZINC000612789614 460731426 /nfs/dbraw/zinc/73/14/26/460731426.db2.gz CFFVFAQCHUOGPQ-KRWDZBQOSA-N 0 0 346.408 3.415 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347824129 456387613 /nfs/dbraw/zinc/38/76/13/456387613.db2.gz IACPLNDFFDOLAV-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN CC[C@H](NC(=O)C(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000347829202 456389752 /nfs/dbraw/zinc/38/97/52/456389752.db2.gz OLOBUKMZXVLOSO-HNNXBMFYSA-N 0 0 330.315 3.184 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000302746018 456389986 /nfs/dbraw/zinc/38/99/86/456389986.db2.gz STPONBTTXDSOEC-OAHLLOKOSA-N 0 0 343.358 3.255 10 5 EGBERN CCOCc1nc([C@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])no1 ZINC000290646614 456394521 /nfs/dbraw/zinc/39/45/21/456394521.db2.gz IKXCUVAQYYUFBS-JTQLQIEISA-N 0 0 343.343 3.236 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)c2ccoc2)CC1 ZINC000302800578 456405870 /nfs/dbraw/zinc/40/58/70/456405870.db2.gz CCJXRAJJZDYDKL-UHFFFAOYSA-N 0 0 349.774 3.112 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000340360411 456411628 /nfs/dbraw/zinc/41/16/28/456411628.db2.gz KLPGAJUORQIQCD-UHFFFAOYSA-N 0 0 325.368 3.232 10 5 EGBERN CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000348048468 456444421 /nfs/dbraw/zinc/44/44/21/456444421.db2.gz PVDYDHBXSIBPIN-MRXNPFEDSA-N 0 0 332.404 3.065 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C(F)(F)F)CC1 ZINC000348137828 456510535 /nfs/dbraw/zinc/51/05/35/456510535.db2.gz FYZGZIHKCGMMAV-UHFFFAOYSA-N 0 0 333.266 3.067 10 5 EGBERN CC(C)Oc1cccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000298724946 456525707 /nfs/dbraw/zinc/52/57/07/456525707.db2.gz QCENYQCRYRQDIH-NSHDSACASA-N 0 0 344.371 3.049 10 5 EGBERN COc1ccc2c(c1)OC[C@H]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340552143 456527465 /nfs/dbraw/zinc/52/74/65/456527465.db2.gz BZKRBMVSHJMSBC-GFCCVEGCSA-N 0 0 342.351 3.133 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250603 456569834 /nfs/dbraw/zinc/56/98/34/456569834.db2.gz UFDPOLKTATUVRG-TVQRCGJNSA-N 0 0 346.305 3.234 10 5 EGBERN CC(C)Oc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1C(N)=O ZINC000340700603 456635239 /nfs/dbraw/zinc/63/52/39/456635239.db2.gz HORYTVTVBNNUFU-UHFFFAOYSA-N 0 0 329.356 3.093 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000338167964 456679951 /nfs/dbraw/zinc/67/99/51/456679951.db2.gz FVSZFEPANDBZRM-ZDUSSCGKSA-N 0 0 344.415 3.385 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340780443 456681631 /nfs/dbraw/zinc/68/16/31/456681631.db2.gz TWUAMBQLCULMKI-UHFFFAOYSA-N 0 0 335.319 3.052 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCc2cncnc2)cc1[N+](=O)[O-] ZINC000353421439 456690233 /nfs/dbraw/zinc/69/02/33/456690233.db2.gz JQKZGGISCZFLMM-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN COc1cc(N2CCC[C@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000277290384 456763185 /nfs/dbraw/zinc/76/31/85/456763185.db2.gz UQNXZTXNZBDAHF-ZDUSSCGKSA-N 0 0 332.360 3.451 10 5 EGBERN Cc1cc(NC[C@H](CO)c2cccnc2)c2cccc([N+](=O)[O-])c2n1 ZINC000340925715 456765228 /nfs/dbraw/zinc/76/52/28/456765228.db2.gz DRVPYVXKLVFKSC-CQSZACIVSA-N 0 0 338.367 3.034 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000348629332 456785763 /nfs/dbraw/zinc/78/57/63/456785763.db2.gz BJKKELNCTMKOKO-MNOVXSKESA-N 0 0 345.321 3.102 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301081323 456792555 /nfs/dbraw/zinc/79/25/55/456792555.db2.gz GPCDISSZZQOZEM-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN CC(C)[C@@H](NCc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338419597 456806483 /nfs/dbraw/zinc/80/64/83/456806483.db2.gz ALFHEAXEPWETRQ-MRXNPFEDSA-N 0 0 325.372 3.124 10 5 EGBERN C[C@H](NC(=O)Nc1cn(C)nc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000292018826 456831261 /nfs/dbraw/zinc/83/12/61/456831261.db2.gz JNMYZCKXCPOYJA-JTQLQIEISA-N 0 0 329.360 3.088 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000341327393 456849155 /nfs/dbraw/zinc/84/91/55/456849155.db2.gz GORURZQWHOORLA-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN COc1ccc(CNc2ccnc3cc(F)cnc32)cc1[N+](=O)[O-] ZINC000341601440 456879647 /nfs/dbraw/zinc/87/96/47/456879647.db2.gz VQSHDYGNFIJSTN-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC2(CC2)c2ccccc21 ZINC000344968826 456881594 /nfs/dbraw/zinc/88/15/94/456881594.db2.gz ODNXKOVHLLCDJQ-UHFFFAOYSA-N 0 0 344.392 3.182 10 5 EGBERN CC[C@H](C)OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341731609 456919438 /nfs/dbraw/zinc/91/94/38/456919438.db2.gz VUNRQLWQELMBRR-QMMMGPOBSA-N 0 0 331.166 3.111 10 5 EGBERN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341769525 456934991 /nfs/dbraw/zinc/93/49/91/456934991.db2.gz BWUYQHNIEHAJEB-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000353901954 456958154 /nfs/dbraw/zinc/95/81/54/456958154.db2.gz STYXHCWNNNSQKF-ZETCQYMHSA-N 0 0 343.206 3.060 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000339181731 456980557 /nfs/dbraw/zinc/98/05/57/456980557.db2.gz CXKDJOZFPDHHTK-QGZVFWFLSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000339181760 456980645 /nfs/dbraw/zinc/98/06/45/456980645.db2.gz PUYUMGNMNWGJKW-KRWDZBQOSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000356555641 457053439 /nfs/dbraw/zinc/05/34/39/457053439.db2.gz WQKZPICLOBZIRI-CYBMUJFWSA-N 0 0 338.323 3.263 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000339682849 457211785 /nfs/dbraw/zinc/21/17/85/457211785.db2.gz LZEHBKQXKUEOHX-SECBINFHSA-N 0 0 332.200 3.339 10 5 EGBERN Cc1cncnc1-c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000356918274 457218655 /nfs/dbraw/zinc/21/86/55/457218655.db2.gz RNLZJXFCYGOWJW-UHFFFAOYSA-N 0 0 349.253 3.012 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3cc(C)ccc3[nH]2)c1 ZINC000360127176 457266453 /nfs/dbraw/zinc/26/64/53/457266453.db2.gz JAWICOUUEOFPQI-UHFFFAOYSA-N 0 0 340.339 3.178 10 5 EGBERN O=C(NCc1ccco1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347175868 457272758 /nfs/dbraw/zinc/27/27/58/457272758.db2.gz ARRJCKASPDRTAS-UHFFFAOYSA-N 0 0 340.133 3.272 10 5 EGBERN CN(Cc1nccn1C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202762 457286082 /nfs/dbraw/zinc/28/60/82/457286082.db2.gz CVHWPILFDOQJNT-UHFFFAOYSA-N 0 0 345.403 3.290 10 5 EGBERN C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202319 457286828 /nfs/dbraw/zinc/28/68/28/457286828.db2.gz ZDLZEAMNLFJYJL-GFCCVEGCSA-N 0 0 345.403 3.299 10 5 EGBERN Cc1cn2cc(Nc3ncnc4sc([N+](=O)[O-])cc43)ccc2n1 ZINC000342418359 457292425 /nfs/dbraw/zinc/29/24/25/457292425.db2.gz SFXSTPBCZLLOKZ-UHFFFAOYSA-N 0 0 326.341 3.299 10 5 EGBERN Cc1cc(OCc2nc([C@@H]3CCOC[C@H]3C)no2)ccc1[N+](=O)[O-] ZINC000347262711 457319291 /nfs/dbraw/zinc/31/92/91/457319291.db2.gz LFQFOLGNJDUTQK-DGCLKSJQSA-N 0 0 333.344 3.005 10 5 EGBERN Cc1ccc([C@@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C(C)C)cc1 ZINC000347283639 457330137 /nfs/dbraw/zinc/33/01/37/457330137.db2.gz JVGMFNJLYPWREQ-AWEZNQCLSA-N 0 0 341.371 3.475 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000352019333 457332223 /nfs/dbraw/zinc/33/22/23/457332223.db2.gz AAUVYVGTJMAYBN-RQOWECAXSA-N 0 0 334.335 3.219 10 5 EGBERN CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])n2C)n1)c1cccc(Cl)c1 ZINC000357122917 457334668 /nfs/dbraw/zinc/33/46/68/457334668.db2.gz AYVIXDVHBTXHLP-CYBMUJFWSA-N 0 0 348.746 3.373 10 5 EGBERN COc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357159253 457351507 /nfs/dbraw/zinc/35/15/07/457351507.db2.gz ZEJHROINMBDCMX-PSASIEDQSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc(=NC(=O)c2cccc(C)c2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000342630265 457415685 /nfs/dbraw/zinc/41/56/85/457415685.db2.gz JSLRUKJESNJCNL-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000373962292 457418536 /nfs/dbraw/zinc/41/85/36/457418536.db2.gz NCPGYEHDZIWIMI-HDJSIYSDSA-N 0 0 325.368 3.283 10 5 EGBERN CNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000357295592 457427194 /nfs/dbraw/zinc/42/71/94/457427194.db2.gz WTDVXBWOTOIQDO-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)F)C1 ZINC000425078713 457431220 /nfs/dbraw/zinc/43/12/20/457431220.db2.gz XEUYTXYMPWCUMA-ZDUSSCGKSA-N 0 0 326.343 3.277 10 5 EGBERN COc1cccc([C@H](C)c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000357306105 457434296 /nfs/dbraw/zinc/43/42/96/457434296.db2.gz BOAFRDHTFLXARI-NSHDSACASA-N 0 0 340.339 3.124 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2NC)c1 ZINC000360943312 457451927 /nfs/dbraw/zinc/45/19/27/457451927.db2.gz IUEXBTPGXVGWCD-UHFFFAOYSA-N 0 0 343.383 3.008 10 5 EGBERN COc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553295 457461450 /nfs/dbraw/zinc/46/14/50/457461450.db2.gz BFWHKKJIYLSFLC-HNNXBMFYSA-N 0 0 334.397 3.238 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N(CC(F)F)CC2CCC2)s1 ZINC000342727756 457483414 /nfs/dbraw/zinc/48/34/14/457483414.db2.gz NUZXOPVVZUXNPH-UHFFFAOYSA-N 0 0 328.344 3.471 10 5 EGBERN CC(=O)c1cc(NCCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000342782919 457523390 /nfs/dbraw/zinc/52/33/90/457523390.db2.gz PEMQCMLASXLKKQ-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN CC(C)COCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357437273 457525213 /nfs/dbraw/zinc/52/52/13/457525213.db2.gz GQZYPKDBBQOQOQ-INIZCTEOSA-N 0 0 338.429 3.232 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000347608819 457546229 /nfs/dbraw/zinc/54/62/29/457546229.db2.gz KZTTUJLUWUEMFG-NWANDNLSSA-N 0 0 336.436 3.067 10 5 EGBERN C[C@H]1C[C@@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357473418 457550417 /nfs/dbraw/zinc/55/04/17/457550417.db2.gz QOCRRRRVXTVTBI-AAEUAGOBSA-N 0 0 342.355 3.263 10 5 EGBERN Cc1ncc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000361075352 457566523 /nfs/dbraw/zinc/56/65/23/457566523.db2.gz SQILEVPVQFUFJZ-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408516382 457575539 /nfs/dbraw/zinc/57/55/39/457575539.db2.gz UUNJYFPBBGLHNO-DAXOMENPSA-N 0 0 340.807 3.005 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425558593 457598051 /nfs/dbraw/zinc/59/80/51/457598051.db2.gz FLTKOGJIJSVQOG-NEPJUHHUSA-N 0 0 331.347 3.340 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)Cc1cscn1 ZINC000357613983 457623606 /nfs/dbraw/zinc/62/36/06/457623606.db2.gz ZUESNSXHADSPGM-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN Cc1nn(C)cc1CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000410444400 457642106 /nfs/dbraw/zinc/64/21/06/457642106.db2.gz MLQVSPYZQYXREQ-UHFFFAOYSA-N 0 0 342.399 3.155 10 5 EGBERN CNc1c(C(=O)N[C@H]2COc3c2ccc(C)c3C)cccc1[N+](=O)[O-] ZINC000361222275 457652824 /nfs/dbraw/zinc/65/28/24/457652824.db2.gz WTMQFSHLCCICMK-AWEZNQCLSA-N 0 0 341.367 3.117 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](c4ccsc4)C3)nc2c1 ZINC000361268802 457673524 /nfs/dbraw/zinc/67/35/24/457673524.db2.gz XHFABPVKJJVNIB-OAHLLOKOSA-N 0 0 344.396 3.106 10 5 EGBERN CCOc1ccc(C(=O)N(CC)[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000357877008 457721062 /nfs/dbraw/zinc/72/10/62/457721062.db2.gz NHCYHENZKDLEAE-VIFPVBQESA-N 0 0 334.294 3.406 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)Cc1cccc(OC)c1 ZINC000443455890 457768102 /nfs/dbraw/zinc/76/81/02/457768102.db2.gz QYRIPLFYBMHNBG-LBPRGKRZSA-N 0 0 343.383 3.006 10 5 EGBERN CC(C)C[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443757746 457810524 /nfs/dbraw/zinc/81/05/24/457810524.db2.gz CNDUAZIUNPZEPP-OAHLLOKOSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000443952378 457829142 /nfs/dbraw/zinc/82/91/42/457829142.db2.gz ZDAWCUSFHBUIFB-ZDUSSCGKSA-N 0 0 349.822 3.371 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000375219297 457838514 /nfs/dbraw/zinc/83/85/14/457838514.db2.gz ABWINGXCQKXCIE-QGZVFWFLSA-N 0 0 337.335 3.289 10 5 EGBERN CC1(C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366577489 457858932 /nfs/dbraw/zinc/85/89/32/457858932.db2.gz UDADCHLXHHKVFR-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN CC1(c2cc(NC(=O)NCc3ccccc3[N+](=O)[O-])no2)CCCC1 ZINC000433820702 457893226 /nfs/dbraw/zinc/89/32/26/457893226.db2.gz NKJPSGOJGUXIRY-UHFFFAOYSA-N 0 0 344.371 3.158 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000426940568 457928145 /nfs/dbraw/zinc/92/81/45/457928145.db2.gz PKSOJKJVEHNGNK-OAHLLOKOSA-N 0 0 330.315 3.160 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)n1 ZINC000427360868 457977365 /nfs/dbraw/zinc/97/73/65/457977365.db2.gz UZODXEJXWHDGDR-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c(C)c1OC ZINC000358404926 457982228 /nfs/dbraw/zinc/98/22/28/457982228.db2.gz CFTSPGMAAZOYSG-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000358422227 457994173 /nfs/dbraw/zinc/99/41/73/457994173.db2.gz BEHOSABRMBRBCI-UHFFFAOYSA-N 0 0 338.385 3.096 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000371598704 458002020 /nfs/dbraw/zinc/00/20/20/458002020.db2.gz IMHSGHUDJSVMKC-LLVKDONJSA-N 0 0 348.790 3.163 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)c2cccs2)n1 ZINC000427599382 458006029 /nfs/dbraw/zinc/00/60/29/458006029.db2.gz OHZJSPKKFOEGKA-LLVKDONJSA-N 0 0 336.417 3.390 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)cc3Cl)no2)n1 ZINC000445460266 458052584 /nfs/dbraw/zinc/05/25/84/458052584.db2.gz PJSMCFCXOJFPPH-UHFFFAOYSA-N 0 0 340.126 3.352 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1CO ZINC000428076074 458074987 /nfs/dbraw/zinc/07/49/87/458074987.db2.gz SFKFGPALVSKAOQ-UHFFFAOYSA-N 0 0 344.298 3.460 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428073649 458075924 /nfs/dbraw/zinc/07/59/24/458075924.db2.gz XNXJIQDKALWDHB-UHFFFAOYSA-N 0 0 340.335 3.139 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000428105173 458081051 /nfs/dbraw/zinc/08/10/51/458081051.db2.gz DBXYBYJDAQGUCF-JLVBRIDZSA-N 0 0 343.427 3.359 10 5 EGBERN Cc1nc(CN(C)c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)no1 ZINC000362366785 458129322 /nfs/dbraw/zinc/12/93/22/458129322.db2.gz XHTGMEWQUUSYMU-UHFFFAOYSA-N 0 0 343.318 3.124 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000362374207 458133368 /nfs/dbraw/zinc/13/33/68/458133368.db2.gz UZXJWNNEIXDZEC-DOTOQJQBSA-N 0 0 348.362 3.210 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H](O)Cc1ccccc1 ZINC000362379020 458135728 /nfs/dbraw/zinc/13/57/28/458135728.db2.gz ORBGRYBBQHFJGM-OAHLLOKOSA-N 0 0 328.368 3.144 10 5 EGBERN CCc1ccnc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)c1 ZINC000435595345 458169441 /nfs/dbraw/zinc/16/94/41/458169441.db2.gz BQTWVBXJZQLCCH-UHFFFAOYSA-N 0 0 329.356 3.259 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000362538124 458254083 /nfs/dbraw/zinc/25/40/83/458254083.db2.gz QWVUMYUDIJZXKI-LBPRGKRZSA-N 0 0 341.367 3.069 10 5 EGBERN CCc1ncc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000459054993 458254145 /nfs/dbraw/zinc/25/41/45/458254145.db2.gz UHPPYVPDEDIRSC-UHFFFAOYSA-N 0 0 344.371 3.019 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC=C(c4ccc(O)cc4)CC3)nc2c1 ZINC000447673077 458328356 /nfs/dbraw/zinc/32/83/56/458328356.db2.gz WKCQDNPVJDRYBY-UHFFFAOYSA-N 0 0 336.351 3.470 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCOC4(CCCCC4)C3)[nH]c2c1 ZINC000447691587 458330171 /nfs/dbraw/zinc/33/01/71/458330171.db2.gz TUXZOPDDOVONNQ-LBPRGKRZSA-N 0 0 330.388 3.187 10 5 EGBERN CC[C@H](NC(=O)c1cc(C)cc(OC)c1O)c1cccc([N+](=O)[O-])c1 ZINC000436571056 458336103 /nfs/dbraw/zinc/33/61/03/458336103.db2.gz BVINYCYFVLETIJ-HNNXBMFYSA-N 0 0 344.367 3.499 10 5 EGBERN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccccc3O)n2)cs1 ZINC000436725446 458368692 /nfs/dbraw/zinc/36/86/92/458368692.db2.gz QVUOACRAPMJXTB-UHFFFAOYSA-N 0 0 334.382 3.439 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CNc1ccc2ccc(=O)n(C)c2c1 ZINC000429791768 458371831 /nfs/dbraw/zinc/37/18/31/458371831.db2.gz IXIKEJBATVFVRU-UHFFFAOYSA-N 0 0 339.351 3.067 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436783732 458379296 /nfs/dbraw/zinc/37/92/96/458379296.db2.gz NDFSMSVUWIPJDV-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1cncn1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000376742066 458380822 /nfs/dbraw/zinc/38/08/22/458380822.db2.gz LTCAKSHQAQGTRK-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000376805382 458393618 /nfs/dbraw/zinc/39/36/18/458393618.db2.gz UYIUBYHXYBYNKT-LSDHHAIUSA-N 0 0 342.399 3.045 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](NCc2csc([N+](=O)[O-])c2)[C@@H]1O ZINC000459702286 458451693 /nfs/dbraw/zinc/45/16/93/458451693.db2.gz OLZXEQPDCXQITA-YPMHNXCESA-N 0 0 340.426 3.081 10 5 EGBERN COc1cccc2c1[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000459894169 458490078 /nfs/dbraw/zinc/49/00/78/458490078.db2.gz VLAGFCWSSKUFLU-CYBMUJFWSA-N 0 0 342.351 3.281 10 5 EGBERN CC[C@H](CC(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000459906283 458490577 /nfs/dbraw/zinc/49/05/77/458490577.db2.gz UADFJKNBIXNOEP-SECBINFHSA-N 0 0 344.314 3.376 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000431141019 458535207 /nfs/dbraw/zinc/53/52/07/458535207.db2.gz WXDKUNJYAXNCNH-UHOFOFEASA-N 0 0 343.427 3.359 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCO[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000431247199 458546376 /nfs/dbraw/zinc/54/63/76/458546376.db2.gz DRZXXXCOLMGNKS-WCBMZHEXSA-N 0 0 343.177 3.029 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccc(F)cc4)CC3)no2)n1 ZINC000424355894 458624969 /nfs/dbraw/zinc/62/49/69/458624969.db2.gz AMGRBTCAGCFGEB-UHFFFAOYSA-N 0 0 343.318 3.080 10 5 EGBERN COc1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000438899461 458628223 /nfs/dbraw/zinc/62/82/23/458628223.db2.gz VEIIJIRNYDTDGD-UHFFFAOYSA-N 0 0 333.775 3.257 10 5 EGBERN C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000431829039 458631267 /nfs/dbraw/zinc/63/12/67/458631267.db2.gz UOWHSRMBIWHOLX-LLVKDONJSA-N 0 0 341.795 3.157 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438958412 458634222 /nfs/dbraw/zinc/63/42/22/458634222.db2.gz UPQBUHLCMCEKSV-UHFFFAOYSA-N 0 0 347.758 3.299 10 5 EGBERN CCC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000546568628 458637205 /nfs/dbraw/zinc/63/72/05/458637205.db2.gz DMAPVKVCQNJPST-UHFFFAOYSA-N 0 0 340.445 3.375 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000439089893 458652059 /nfs/dbraw/zinc/65/20/59/458652059.db2.gz VNSOELFPPUPYKA-ZIAGYGMSSA-N 0 0 348.399 3.024 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471330749 458689869 /nfs/dbraw/zinc/68/98/69/458689869.db2.gz KWLBTVKCWRYSSB-ZIAGYGMSSA-N 0 0 328.368 3.487 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(F)(F)F)CC1(C)C ZINC000546970981 458691538 /nfs/dbraw/zinc/69/15/38/458691538.db2.gz PYSMGHPNVDVOCP-UHFFFAOYSA-N 0 0 345.365 3.362 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000456507642 458698024 /nfs/dbraw/zinc/69/80/24/458698024.db2.gz OGOAJQCRSIASSX-QWHCGFSZSA-N 0 0 332.381 3.259 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CCCN(c2ncccn2)C1 ZINC000432329224 458717404 /nfs/dbraw/zinc/71/74/04/458717404.db2.gz ZJWPACYHHXNWOR-NSHDSACASA-N 0 0 333.779 3.119 10 5 EGBERN Cc1ccc(-n2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)cn2)c(C)c1 ZINC000530322869 458747626 /nfs/dbraw/zinc/74/76/26/458747626.db2.gz NJUGOKFROJXORP-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC(C)Oc1cc(NCc2ccccc2[N+](=O)[O-])ccc1C(N)=O ZINC000432699027 458772379 /nfs/dbraw/zinc/77/23/79/458772379.db2.gz LSCWGNLWSCSTPJ-UHFFFAOYSA-N 0 0 329.356 3.093 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N(Cc1ccccc1)C1CCCCC1 ZINC000548091695 458836221 /nfs/dbraw/zinc/83/62/21/458836221.db2.gz KLFXDBHJIMERBS-UHFFFAOYSA-N 0 0 328.372 3.293 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000467002836 458942513 /nfs/dbraw/zinc/94/25/13/458942513.db2.gz DURSNIWBTZTFPP-GUYCJALGSA-N 0 0 328.368 3.468 10 5 EGBERN Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cn2)oc2ccc(F)cc12 ZINC000531629131 458948628 /nfs/dbraw/zinc/94/86/28/458948628.db2.gz RZWJBLHPSIPUTL-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000556396428 458956195 /nfs/dbraw/zinc/95/61/95/458956195.db2.gz WIFLLYIFDMBILU-VBQJREDUSA-N 0 0 334.416 3.266 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457476598 458970731 /nfs/dbraw/zinc/97/07/31/458970731.db2.gz LCFWJFSCYNBMQD-UHFFFAOYSA-N 0 0 343.383 3.046 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000531868918 458991664 /nfs/dbraw/zinc/99/16/64/458991664.db2.gz SNCPOCZJAZRIGC-UHFFFAOYSA-N 0 0 342.351 3.110 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000531887765 458995154 /nfs/dbraw/zinc/99/51/54/458995154.db2.gz XMXBLOHMAODCME-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN C[C@@H](C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566951502 459024968 /nfs/dbraw/zinc/02/49/68/459024968.db2.gz WKCAWPGDYKXDPN-MLGOLLRUSA-N 0 0 344.415 3.335 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)CC2 ZINC000477988633 459070195 /nfs/dbraw/zinc/07/01/95/459070195.db2.gz HKWRPFJTJBGMOJ-LLVKDONJSA-N 0 0 333.367 3.063 10 5 EGBERN COC(=O)c1cc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc([N+](=O)[O-])c1 ZINC000594535806 459083311 /nfs/dbraw/zinc/08/33/11/459083311.db2.gz JFLBCVDRMVOICZ-CUOATXAZSA-N 0 0 343.339 3.335 10 5 EGBERN O=c1[nH]cnc2cc(N[C@@H](C3CC3)[C@H]3CCCCO3)c([N+](=O)[O-])cc21 ZINC000594590681 459100386 /nfs/dbraw/zinc/10/03/86/459100386.db2.gz MUTAGPBUMVLPDS-CVEARBPZSA-N 0 0 344.371 3.003 10 5 EGBERN COC[C@H](CC(C)(C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000594601395 459105930 /nfs/dbraw/zinc/10/59/30/459105930.db2.gz UEUIAXBOIKJGJI-AWEZNQCLSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000594689120 459130821 /nfs/dbraw/zinc/13/08/21/459130821.db2.gz CSRULAWRYPVSLC-DYVFJYSZSA-N 0 0 328.368 3.250 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@@H](c2ccsc2)C1 ZINC000590585548 459153685 /nfs/dbraw/zinc/15/36/85/459153685.db2.gz FCWAWEKUCIQKLF-GFCCVEGCSA-N 0 0 325.777 3.283 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000594821272 459159254 /nfs/dbraw/zinc/15/92/54/459159254.db2.gz LSTGRZKUTQBDCE-UHFFFAOYSA-N 0 0 344.458 3.166 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(=O)[O-] ZINC000567866477 459181366 /nfs/dbraw/zinc/18/13/66/459181366.db2.gz XKPFRYAGJBMEDH-IUODEOHRSA-N 0 0 344.367 3.397 10 5 EGBERN Nc1cc(N[C@@H]2CCCc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000590704342 459188738 /nfs/dbraw/zinc/18/87/38/459188738.db2.gz XPKULVIMRHETTD-MRXNPFEDSA-N 0 0 331.347 3.298 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000480555477 459205477 /nfs/dbraw/zinc/20/54/77/459205477.db2.gz POFOBKNDVXQNQM-JOYOIKCWSA-N 0 0 346.305 3.467 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1c2c(nn1C)CCCC2 ZINC000595040297 459225383 /nfs/dbraw/zinc/22/53/83/459225383.db2.gz XGDVBINSJULHEJ-LBPRGKRZSA-N 0 0 344.415 3.067 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000595101351 459245435 /nfs/dbraw/zinc/24/54/35/459245435.db2.gz DPMUZNJDOLOVHK-JCGVRSQUSA-N 0 0 330.384 3.376 10 5 EGBERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533545191 459251962 /nfs/dbraw/zinc/25/19/62/459251962.db2.gz JAXKZQVBVLRHJW-OAHLLOKOSA-N 0 0 348.399 3.407 10 5 EGBERN CCn1nc(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000590872512 459252505 /nfs/dbraw/zinc/25/25/05/459252505.db2.gz JBYSNSZKKLUJAY-UHFFFAOYSA-N 0 0 331.376 3.192 10 5 EGBERN CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000595171432 459255316 /nfs/dbraw/zinc/25/53/16/459255316.db2.gz FRPCKZNOCYSKGL-AWEZNQCLSA-N 0 0 347.415 3.136 10 5 EGBERN CCc1ccc(C(=O)N2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC000590880332 459255917 /nfs/dbraw/zinc/25/59/17/459255917.db2.gz QSSXYOCKOBEHSU-UHFFFAOYSA-N 0 0 332.400 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(OC(F)F)CC1 ZINC000590883791 459258379 /nfs/dbraw/zinc/25/83/79/459258379.db2.gz BAAPCZKTMRUDKM-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2ccc(N)cc2C1 ZINC000595220266 459258393 /nfs/dbraw/zinc/25/83/93/459258393.db2.gz AELVGEFMWCOXTB-UHFFFAOYSA-N 0 0 325.368 3.258 10 5 EGBERN Cc1c(C(=O)NC2CCC(OC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000590884206 459258400 /nfs/dbraw/zinc/25/84/00/459258400.db2.gz XFHSRAKEGZQDRR-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595280110 459265779 /nfs/dbraw/zinc/26/57/79/459265779.db2.gz YKKCFBRHNBNVAD-RDJZCZTQSA-N 0 0 332.400 3.450 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC2CC1(c1ccccc1)C2 ZINC000595471799 459315581 /nfs/dbraw/zinc/31/55/81/459315581.db2.gz QOPQMCSPOVKXCY-UHFFFAOYSA-N 0 0 337.379 3.426 10 5 EGBERN CCc1nnc([C@H](C)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519748 459331741 /nfs/dbraw/zinc/33/17/41/459331741.db2.gz CCDWIPVCKZDLEF-GXTWGEPZSA-N 0 0 329.404 3.216 10 5 EGBERN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595522542 459334624 /nfs/dbraw/zinc/33/46/24/459334624.db2.gz MAMFQCDDCLXJDN-OPFPJEHXSA-N 0 0 337.395 3.353 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595551666 459344347 /nfs/dbraw/zinc/34/43/47/459344347.db2.gz XVKKKOOUCHJECJ-IINYFYTJSA-N 0 0 327.331 3.309 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000524124813 459346240 /nfs/dbraw/zinc/34/62/40/459346240.db2.gz CAQNVBCCKZRBHA-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(c3ccco3)CC2)c2c(c1)COCO2 ZINC000595617706 459369859 /nfs/dbraw/zinc/36/98/59/459369859.db2.gz IVCJTFVEVHFUGA-UHFFFAOYSA-N 0 0 344.367 3.434 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(c2ccco2)CC1 ZINC000595615992 459370591 /nfs/dbraw/zinc/37/05/91/459370591.db2.gz OZYQFMWUNIONBS-UHFFFAOYSA-N 0 0 343.383 3.314 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000582548145 459384509 /nfs/dbraw/zinc/38/45/09/459384509.db2.gz SHIWFHQFGFNGHL-CABCVRRESA-N 0 0 332.400 3.436 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](O)CC12CCC2 ZINC000591464212 459387390 /nfs/dbraw/zinc/38/73/90/459387390.db2.gz NLPLKRCRJFTWNH-NSHDSACASA-N 0 0 341.205 3.241 10 5 EGBERN Cc1ccc(CCCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000540881268 459395752 /nfs/dbraw/zinc/39/57/52/459395752.db2.gz GVXTVAIZPDBYTA-UHFFFAOYSA-N 0 0 339.395 3.206 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000595798303 459445284 /nfs/dbraw/zinc/44/52/84/459445284.db2.gz AUCREUOQFWLNSF-LBPRGKRZSA-N 0 0 327.331 3.028 10 5 EGBERN COc1cc(CN2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000595815363 459449881 /nfs/dbraw/zinc/44/98/81/459449881.db2.gz OPTJIVFEHBARST-GFCCVEGCSA-N 0 0 338.379 3.276 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCC12CCOCC2 ZINC000591846090 459453237 /nfs/dbraw/zinc/45/32/37/459453237.db2.gz AWQULHBKDBLNJB-UHFFFAOYSA-N 0 0 341.205 3.112 10 5 EGBERN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595826328 459454818 /nfs/dbraw/zinc/45/48/18/459454818.db2.gz MZUHHUZSXBDNSN-INIZCTEOSA-N 0 0 327.384 3.011 10 5 EGBERN CC(C)(C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618847 459473998 /nfs/dbraw/zinc/47/39/98/459473998.db2.gz PVPPHFFEAZJRBV-UKRRQHHQSA-N 0 0 326.824 3.477 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595891274 459476512 /nfs/dbraw/zinc/47/65/12/459476512.db2.gz PKKGONGDIORXFJ-GWCFXTLKSA-N 0 0 348.321 3.145 10 5 EGBERN CNc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000525725212 459483047 /nfs/dbraw/zinc/48/30/47/459483047.db2.gz QESNLQKAIIGMOO-SNVBAGLBSA-N 0 0 349.337 3.448 10 5 EGBERN CC(C)N(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000583117533 459485324 /nfs/dbraw/zinc/48/53/24/459485324.db2.gz KUBMUQOOKJUVIX-UHFFFAOYSA-N 0 0 330.388 3.201 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596004584 459493225 /nfs/dbraw/zinc/49/32/25/459493225.db2.gz JIOSMGOJSQLAFG-UHFFFAOYSA-N 0 0 348.790 3.196 10 5 EGBERN Cc1c(Br)c(NC[C@H](C)CC(F)F)ncc1[N+](=O)[O-] ZINC000591961988 459498343 /nfs/dbraw/zinc/49/83/43/459498343.db2.gz UHDFUHNKJTTWJO-ZCFIWIBFSA-N 0 0 338.152 3.186 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC[C@@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000591972850 459502044 /nfs/dbraw/zinc/50/20/44/459502044.db2.gz ABEKAOTZPOXOPZ-IAGOWNOFSA-N 0 0 347.415 3.256 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000486531367 459508318 /nfs/dbraw/zinc/50/83/18/459508318.db2.gz HYEQPPDFDNAVGT-CABCVRRESA-N 0 0 346.427 3.148 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000591999304 459508939 /nfs/dbraw/zinc/50/89/39/459508939.db2.gz MSRSFBQDMOMOTG-CQSZACIVSA-N 0 0 333.388 3.244 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000542111405 459526969 /nfs/dbraw/zinc/52/69/69/459526969.db2.gz DPULYVQPZPJPEK-CYBMUJFWSA-N 0 0 325.368 3.424 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H](OC)C(C)C)ccc1[N+](=O)[O-] ZINC000596145606 459535873 /nfs/dbraw/zinc/53/58/73/459535873.db2.gz RHHPONKALHQVOC-NSHDSACASA-N 0 0 330.768 3.118 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596170493 459546766 /nfs/dbraw/zinc/54/67/66/459546766.db2.gz SCZPQAVOBDUYOT-VIFPVBQESA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000596186628 459554080 /nfs/dbraw/zinc/55/40/80/459554080.db2.gz SURIWBWYFQLSCO-SECBINFHSA-N 0 0 328.752 3.016 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])s1 ZINC000596248589 459574139 /nfs/dbraw/zinc/57/41/39/459574139.db2.gz JGVJFURJLMYSFJ-XJKSGUPXSA-N 0 0 336.388 3.269 10 5 EGBERN CCOc1cccc(NCc2ccc(CNC(C)=O)cc2)c1[N+](=O)[O-] ZINC000596316996 459594631 /nfs/dbraw/zinc/59/46/31/459594631.db2.gz LESDROMNVNTGTJ-UHFFFAOYSA-N 0 0 343.383 3.242 10 5 EGBERN COC[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000596331273 459598444 /nfs/dbraw/zinc/59/84/44/459598444.db2.gz XTJRGQRZSDKSRQ-CYBMUJFWSA-N 0 0 348.321 3.467 10 5 EGBERN COc1cc(N2CCO[C@@](C)(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596337554 459600651 /nfs/dbraw/zinc/60/06/51/459600651.db2.gz BPCXKPNPXOPQLC-OAHLLOKOSA-N 0 0 326.780 3.262 10 5 EGBERN C[C@@]1(C2CC2)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596339092 459601804 /nfs/dbraw/zinc/60/18/04/459601804.db2.gz PWPLSXXEIUBTBB-ZDUSSCGKSA-N 0 0 331.294 3.014 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ncnn21 ZINC000596342526 459602878 /nfs/dbraw/zinc/60/28/78/459602878.db2.gz FYHGHRYDXGHPAZ-XVKPBYJWSA-N 0 0 327.266 3.323 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596369075 459611026 /nfs/dbraw/zinc/61/10/26/459611026.db2.gz NCNDDXJASLKTFK-AHIWAGSCSA-N 0 0 345.399 3.121 10 5 EGBERN CC[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922387 459611453 /nfs/dbraw/zinc/61/14/53/459611453.db2.gz CIKFPRBIZILWRZ-STQMWFEESA-N 0 0 327.375 3.317 10 5 EGBERN COC(=O)c1cnc(N2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000596374103 459612770 /nfs/dbraw/zinc/61/27/70/459612770.db2.gz DECJGRAIMDQPRR-UHFFFAOYSA-N 0 0 333.388 3.327 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596429035 459634210 /nfs/dbraw/zinc/63/42/10/459634210.db2.gz WHZIMOFYIXSICA-UHFFFAOYSA-N 0 0 333.388 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)nc1 ZINC000596440784 459636737 /nfs/dbraw/zinc/63/67/37/459636737.db2.gz CZQLIKZLEULGFO-JTQLQIEISA-N 0 0 339.277 3.140 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596445593 459638753 /nfs/dbraw/zinc/63/87/53/459638753.db2.gz BGBVYHKUYUXNID-LLVKDONJSA-N 0 0 325.340 3.061 10 5 EGBERN Cc1cc(N2CC3(CCOCC3)[C@H]2c2ccco2)ncc1[N+](=O)[O-] ZINC000596445743 459639106 /nfs/dbraw/zinc/63/91/06/459639106.db2.gz HWFGZJVUPOMFAJ-MRXNPFEDSA-N 0 0 329.356 3.249 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000596445705 459639163 /nfs/dbraw/zinc/63/91/63/459639163.db2.gz CUHGMQAZTDSDFS-UHFFFAOYSA-N 0 0 347.375 3.007 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCCO[C@@H]1CC1(F)F ZINC000596448245 459639763 /nfs/dbraw/zinc/63/97/63/459639763.db2.gz PRZDOBCUMKJAFJ-SNVBAGLBSA-N 0 0 337.120 3.193 10 5 EGBERN CC[C@H](NC(=O)c1ccnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000592601578 459642320 /nfs/dbraw/zinc/64/23/20/459642320.db2.gz BBTAOWRMAPDMED-HNNXBMFYSA-N 0 0 330.388 3.328 10 5 EGBERN COc1ccnc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1F ZINC000596478520 459650429 /nfs/dbraw/zinc/65/04/29/459650429.db2.gz OTYDCUHKQKFPKL-UHFFFAOYSA-N 0 0 332.335 3.023 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000596478257 459650642 /nfs/dbraw/zinc/65/06/42/459650642.db2.gz KFNPXJKEAFDVTG-CYBMUJFWSA-N 0 0 337.395 3.309 10 5 EGBERN Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596481669 459651074 /nfs/dbraw/zinc/65/10/74/459651074.db2.gz ZWUYMSLTUONYJR-QMTHXVAHSA-N 0 0 330.306 3.395 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596486609 459652950 /nfs/dbraw/zinc/65/29/50/459652950.db2.gz AVZDNXGFXWAAGE-AAEUAGOBSA-N 0 0 335.795 3.200 10 5 EGBERN COC(=O)C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000596494632 459655946 /nfs/dbraw/zinc/65/59/46/459655946.db2.gz UAESFVDBNPMJSW-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596500586 459658235 /nfs/dbraw/zinc/65/82/35/459658235.db2.gz CCSGOZBJHBILHM-UHFFFAOYSA-N 0 0 327.388 3.176 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2sc(Cl)cc2C1 ZINC000592664606 459659332 /nfs/dbraw/zinc/65/93/32/459659332.db2.gz GOQHSYGJTGPPPY-UHFFFAOYSA-N 0 0 336.800 3.437 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000592696449 459669056 /nfs/dbraw/zinc/66/90/56/459669056.db2.gz BMNPPQYGDPZUKT-XBXGTLAGSA-N 0 0 345.399 3.081 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000596544677 459671088 /nfs/dbraw/zinc/67/10/88/459671088.db2.gz OSXHMLUETOCZDM-VIFPVBQESA-N 0 0 342.779 3.262 10 5 EGBERN COc1cc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596554971 459675135 /nfs/dbraw/zinc/67/51/35/459675135.db2.gz NNDKQKOUYHFECX-GXSJLCMTSA-N 0 0 334.294 3.150 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](CC(F)(F)F)O1 ZINC000596554830 459675418 /nfs/dbraw/zinc/67/54/18/459675418.db2.gz MXTGRMKJBLIORC-SCZZXKLOSA-N 0 0 344.293 3.017 10 5 EGBERN CCOc1cccc(N2CCO[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596558094 459675764 /nfs/dbraw/zinc/67/57/64/459675764.db2.gz NBJDSWHKRZDGML-SNVBAGLBSA-N 0 0 334.294 3.151 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000596558970 459677174 /nfs/dbraw/zinc/67/71/74/459677174.db2.gz VUOIVVBHUHPRPD-LBPRGKRZSA-N 0 0 341.289 3.301 10 5 EGBERN Cc1sc(C(=O)NC(C)(C)C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000584200217 459678153 /nfs/dbraw/zinc/67/81/53/459678153.db2.gz RFDBRQAHGGGKHR-UHFFFAOYSA-N 0 0 332.381 3.356 10 5 EGBERN Cc1ncn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)c1C ZINC000584265672 459693755 /nfs/dbraw/zinc/69/37/55/459693755.db2.gz GSGUMBMTBAUKHV-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000592875595 459709796 /nfs/dbraw/zinc/70/97/96/459709796.db2.gz ZHUBFGVBIAZSSB-STQMWFEESA-N 0 0 331.416 3.465 10 5 EGBERN CCC(CC)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584372950 459721754 /nfs/dbraw/zinc/72/17/54/459721754.db2.gz QMMBIXHPZJJFDH-UHFFFAOYSA-N 0 0 332.404 3.354 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000573765887 459730343 /nfs/dbraw/zinc/73/03/43/459730343.db2.gz CWTJKVFOPVONGU-LSDHHAIUSA-N 0 0 347.415 3.438 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000573836070 459742969 /nfs/dbraw/zinc/74/29/69/459742969.db2.gz AKZZCZDSDJKORP-UHFFFAOYSA-N 0 0 349.346 3.442 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CSC[C@H]1c1ccccc1 ZINC000593031874 459747585 /nfs/dbraw/zinc/74/75/85/459747585.db2.gz FMUNVJSJYGEFHE-JKSUJKDBSA-N 0 0 342.420 3.358 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596788721 459762751 /nfs/dbraw/zinc/76/27/51/459762751.db2.gz VSCDEOJATTWUTE-GFCCVEGCSA-N 0 0 333.388 3.387 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC2(C)CCC2)c1 ZINC000593079009 459765840 /nfs/dbraw/zinc/76/58/40/459765840.db2.gz FDJIDTSMRXHAPV-UHFFFAOYSA-N 0 0 342.399 3.068 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117055 459778161 /nfs/dbraw/zinc/77/81/61/459778161.db2.gz MOZGPRVIUZZFQI-ZDUSSCGKSA-N 0 0 338.404 3.156 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000596912980 459794542 /nfs/dbraw/zinc/79/45/42/459794542.db2.gz QIOPAFGYCIPQJI-HNNXBMFYSA-N 0 0 343.330 3.045 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2cc(CO)c(C)cc2C)c1 ZINC000593177688 459798340 /nfs/dbraw/zinc/79/83/40/459798340.db2.gz RRIYWFDDIODLKT-UHFFFAOYSA-N 0 0 344.367 3.103 10 5 EGBERN CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000593184014 459799506 /nfs/dbraw/zinc/79/95/06/459799506.db2.gz RUKDSVMJSCOZKX-UHFFFAOYSA-N 0 0 347.346 3.197 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC=CCC1 ZINC000574447054 459819713 /nfs/dbraw/zinc/81/97/13/459819713.db2.gz KHJBFBXJLIMKCV-CYBMUJFWSA-N 0 0 328.372 3.027 10 5 EGBERN CC1(CC(F)F)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597089531 459834645 /nfs/dbraw/zinc/83/46/45/459834645.db2.gz BQMQODKBGYKGKD-UHFFFAOYSA-N 0 0 348.737 3.339 10 5 EGBERN Nc1c(NC(=O)N[C@@H]2CCCC2(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597093903 459836283 /nfs/dbraw/zinc/83/62/83/459836283.db2.gz ZUYDKUWFLUSEMK-SECBINFHSA-N 0 0 334.710 3.140 10 5 EGBERN C[C@@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099264 459836640 /nfs/dbraw/zinc/83/66/40/459836640.db2.gz XCBLCBIJLQVAGE-YFKPBYRVSA-N 0 0 340.689 3.293 10 5 EGBERN CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C1CC1)C1CC1 ZINC000597095327 459836647 /nfs/dbraw/zinc/83/66/47/459836647.db2.gz SPXFWIVOKKFMKG-UHFFFAOYSA-N 0 0 338.795 3.483 10 5 EGBERN CCOc1cnc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000585750319 459840421 /nfs/dbraw/zinc/84/04/21/459840421.db2.gz HTVIMIFYHLFAAS-UHFFFAOYSA-N 0 0 344.371 3.333 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000598252064 459840849 /nfs/dbraw/zinc/84/08/49/459840849.db2.gz ZJBSDJZPPNVNSY-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000585753038 459840823 /nfs/dbraw/zinc/84/08/23/459840823.db2.gz DCJLTOVSTASUTG-XHBSWPGZSA-N 0 0 340.383 3.301 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1F)CC1CC1 ZINC000598252155 459841868 /nfs/dbraw/zinc/84/18/68/459841868.db2.gz RJWLLBHCQMYUKK-UHFFFAOYSA-N 0 0 329.331 3.181 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC3(F)F)C2)c1 ZINC000593358819 459861667 /nfs/dbraw/zinc/86/16/67/459861667.db2.gz LQDPYLXTYHUPHF-ZDUSSCGKSA-N 0 0 328.340 3.188 10 5 EGBERN O=C(NC1CCC2(CC2(F)F)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598317895 459864021 /nfs/dbraw/zinc/86/40/21/459864021.db2.gz QOALZMFCUHYTAH-UHFFFAOYSA-N 0 0 328.290 3.432 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586777207 459870458 /nfs/dbraw/zinc/87/04/58/459870458.db2.gz HZTXRLPEXPMQJU-MADCSZMMSA-N 0 0 340.248 3.025 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593374245 459871009 /nfs/dbraw/zinc/87/10/09/459871009.db2.gz XSKFCRLNKJXGCW-NHYWBVRUSA-N 0 0 339.342 3.405 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598354038 459877313 /nfs/dbraw/zinc/87/73/13/459877313.db2.gz UPTQXYWQERUMMH-IAGOWNOFSA-N 0 0 328.368 3.083 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598356253 459877872 /nfs/dbraw/zinc/87/78/72/459877872.db2.gz ZHXXYUPEFGQQCZ-LBPRGKRZSA-N 0 0 343.383 3.250 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC12CCCC2 ZINC000593405397 459880152 /nfs/dbraw/zinc/88/01/52/459880152.db2.gz PAEGHLDBZZGKSA-UHFFFAOYSA-N 0 0 342.399 3.347 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000598397969 459888718 /nfs/dbraw/zinc/88/87/18/459888718.db2.gz XVAJQLSTJGBQNC-GFCCVEGCSA-N 0 0 336.363 3.395 10 5 EGBERN Cc1ccc(SCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587019696 459890435 /nfs/dbraw/zinc/89/04/35/459890435.db2.gz AKBAUZPZFQHIJP-UHFFFAOYSA-N 0 0 333.413 3.182 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000597241367 459892596 /nfs/dbraw/zinc/89/25/96/459892596.db2.gz DQAGIIZZUFWQQL-FZMZJTMJSA-N 0 0 332.322 3.445 10 5 EGBERN Nc1cc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc(CO)c1[N+](=O)[O-] ZINC000587784346 459895431 /nfs/dbraw/zinc/89/54/31/459895431.db2.gz CAJQFPHHZOHULJ-IAGOWNOFSA-N 0 0 343.383 3.002 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000587978731 459897098 /nfs/dbraw/zinc/89/70/98/459897098.db2.gz ZXPZHPLIRVMHIV-QGZVFWFLSA-N 0 0 331.372 3.103 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979592 459897345 /nfs/dbraw/zinc/89/73/45/459897345.db2.gz PBROSBKCNXEBFW-OCCSQVGLSA-N 0 0 327.384 3.052 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCCCC2 ZINC000587985501 459897801 /nfs/dbraw/zinc/89/78/01/459897801.db2.gz LHMRCRLKVIJSKB-HZPDHXFCSA-N 0 0 349.431 3.209 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000587994140 459900202 /nfs/dbraw/zinc/90/02/02/459900202.db2.gz YTVUOQGQTJKIME-FHGNATFXSA-N 0 0 343.383 3.034 10 5 EGBERN Nc1cc(NCC2(Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588003591 459901080 /nfs/dbraw/zinc/90/10/80/459901080.db2.gz VRVQJJFPGHLJTC-UHFFFAOYSA-N 0 0 327.384 3.104 10 5 EGBERN COc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)nc1 ZINC000593480778 459901600 /nfs/dbraw/zinc/90/16/00/459901600.db2.gz MCIIOGHUTLYOOL-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000598455228 459902504 /nfs/dbraw/zinc/90/25/04/459902504.db2.gz RHXCGUDPNCOOSP-CYBMUJFWSA-N 0 0 334.416 3.437 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000598452685 459902723 /nfs/dbraw/zinc/90/27/23/459902723.db2.gz AKXYBCHXQHCMTQ-NEPJUHHUSA-N 0 0 338.429 3.007 10 5 EGBERN Cc1nn(C)c(N2CCc3oc(-c4ccccc4)cc3C2)c1[N+](=O)[O-] ZINC000593485240 459903242 /nfs/dbraw/zinc/90/32/42/459903242.db2.gz URMNDBYYBVGHPG-UHFFFAOYSA-N 0 0 338.367 3.459 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000597283642 459903563 /nfs/dbraw/zinc/90/35/63/459903563.db2.gz ZXJQGUCFGHMITL-HNNXBMFYSA-N 0 0 344.415 3.190 10 5 EGBERN Nc1cc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000588039326 459905126 /nfs/dbraw/zinc/90/51/26/459905126.db2.gz WFBYEDULYOTKMX-DZGCQCFKSA-N 0 0 333.775 3.291 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598469472 459905405 /nfs/dbraw/zinc/90/54/05/459905405.db2.gz NFYNGQGNIMGYFE-CYBMUJFWSA-N 0 0 342.399 3.243 10 5 EGBERN COC(=O)[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000593497214 459906512 /nfs/dbraw/zinc/90/65/12/459906512.db2.gz SRSXITCSHFKJPN-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN CCOC(=O)c1cc(N2CC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593521137 459914373 /nfs/dbraw/zinc/91/43/73/459914373.db2.gz LCXGZXKGPUPZNF-AWEZNQCLSA-N 0 0 326.299 3.007 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232433 459935243 /nfs/dbraw/zinc/93/52/43/459935243.db2.gz HGIXHJCHXRLJQA-KGLIPLIRSA-N 0 0 336.342 3.195 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565875 459940209 /nfs/dbraw/zinc/94/02/09/459940209.db2.gz SOUOGHHFQUZCDY-RMLUDKJBSA-N 0 0 348.733 3.133 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593687500 459951050 /nfs/dbraw/zinc/95/10/50/459951050.db2.gz JTXMAXCFVWFVFB-RBPJZEGCSA-N 0 0 348.449 3.029 10 5 EGBERN CC(C)[C@H](C)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575386481 459968443 /nfs/dbraw/zinc/96/84/43/459968443.db2.gz DSQOBKYGBSABCI-LBPRGKRZSA-N 0 0 332.404 3.305 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593762917 459978187 /nfs/dbraw/zinc/97/81/87/459978187.db2.gz ZNUJXEYDDURDIA-OAHLLOKOSA-N 0 0 349.341 3.109 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CC1(F)F ZINC000598654950 459980028 /nfs/dbraw/zinc/98/00/28/459980028.db2.gz NOAPMHOGJUNHRO-SECBINFHSA-N 0 0 329.303 3.160 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000609575784 459986206 /nfs/dbraw/zinc/98/62/06/459986206.db2.gz UZJAMNKDAGOXMK-DVOMOZLQSA-N 0 0 332.400 3.468 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000588840111 459989645 /nfs/dbraw/zinc/98/96/45/459989645.db2.gz GTQCFUQOERGTSI-VBQJREDUSA-N 0 0 336.436 3.030 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCC2(CC2)C1 ZINC000598681385 459991188 /nfs/dbraw/zinc/99/11/88/459991188.db2.gz HZFFNHCQTYWFKL-LBPRGKRZSA-N 0 0 341.371 3.289 10 5 EGBERN Cc1ccc(COCC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000598699921 459998267 /nfs/dbraw/zinc/99/82/67/459998267.db2.gz KSFSUXRKMMFLRW-UHFFFAOYSA-N 0 0 328.368 3.045 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1C(F)(F)F ZINC000597665987 460022493 /nfs/dbraw/zinc/02/24/93/460022493.db2.gz PMYFWXLQSWGSBB-DGCLKSJQSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1ccnc(NC(=O)COc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000598763877 460025306 /nfs/dbraw/zinc/02/53/06/460025306.db2.gz MODFDBBWUITBAD-UHFFFAOYSA-N 0 0 327.340 3.193 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000597694225 460030871 /nfs/dbraw/zinc/03/08/71/460030871.db2.gz KFRXRIFPDOUGAZ-ZDUSSCGKSA-N 0 0 341.367 3.018 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598778649 460031502 /nfs/dbraw/zinc/03/15/02/460031502.db2.gz MVGMEEZSIVNKKA-UHFFFAOYSA-N 0 0 329.400 3.067 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C(F)(F)C2CCOCC2)n1 ZINC000589128364 460035278 /nfs/dbraw/zinc/03/52/78/460035278.db2.gz GMALJVGUPLXDPQ-UHFFFAOYSA-N 0 0 339.298 3.472 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597728394 460040789 /nfs/dbraw/zinc/04/07/89/460040789.db2.gz VKWQOGMRTSKYDO-ABAIWWIYSA-N 0 0 346.412 3.162 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC12COC2 ZINC000597730954 460042167 /nfs/dbraw/zinc/04/21/67/460042167.db2.gz NUVVNKRJXBPPGQ-UHFFFAOYSA-N 0 0 336.413 3.102 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000610006497 460051166 /nfs/dbraw/zinc/05/11/66/460051166.db2.gz GZVFRFRPTNDZQQ-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN C[C@H]1CCC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000589219464 460058106 /nfs/dbraw/zinc/05/81/06/460058106.db2.gz LBPDDBMBLVPKSN-WFASDCNBSA-N 0 0 329.404 3.405 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1ccc(C)n1 ZINC000598844158 460062835 /nfs/dbraw/zinc/06/28/35/460062835.db2.gz XMYMOOVBXNMGED-GFCCVEGCSA-N 0 0 332.360 3.088 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594053503 460075597 /nfs/dbraw/zinc/07/55/97/460075597.db2.gz BODAMAITPHZVMP-CVEARBPZSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594053508 460076130 /nfs/dbraw/zinc/07/61/30/460076130.db2.gz BODAMAITPHZVMP-HZPDHXFCSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598868757 460076351 /nfs/dbraw/zinc/07/63/51/460076351.db2.gz KJNDXWTYLFLUHK-NSHDSACASA-N 0 0 338.791 3.340 10 5 EGBERN COc1cccc(C(=O)Nc2nccc(C)c2C2CC2)c1[N+](=O)[O-] ZINC000598873021 460078868 /nfs/dbraw/zinc/07/88/68/460078868.db2.gz JVNBVEGELGPFQK-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN CC(C)Oc1cncc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594066689 460083140 /nfs/dbraw/zinc/08/31/40/460083140.db2.gz AMSXKWYLWZEPSS-UHFFFAOYSA-N 0 0 344.371 3.088 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000610223077 460086587 /nfs/dbraw/zinc/08/65/87/460086587.db2.gz NDMXJGQKOYKCSY-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C(F)F)C1CCCCC1 ZINC000598895039 460087685 /nfs/dbraw/zinc/08/76/85/460087685.db2.gz CLIINCLFKWDKLV-OAHLLOKOSA-N 0 0 342.342 3.304 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594073989 460088314 /nfs/dbraw/zinc/08/83/14/460088314.db2.gz VQEBUPULUVKZOW-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594074522 460088789 /nfs/dbraw/zinc/08/87/89/460088789.db2.gz XJRCTCROFFHTRY-HIFRSBDPSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594081822 460093116 /nfs/dbraw/zinc/09/31/16/460093116.db2.gz VTSJHWDCBZJMPF-CVEARBPZSA-N 0 0 333.388 3.372 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccc(C)o2)C2CC2)c1 ZINC000589495179 460095752 /nfs/dbraw/zinc/09/57/52/460095752.db2.gz YVROUBQQVSRMLK-UHFFFAOYSA-N 0 0 344.367 3.447 10 5 EGBERN Cc1ccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598938255 460096463 /nfs/dbraw/zinc/09/64/63/460096463.db2.gz XWVYGGLHLVNFCL-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3nc(C(C)C)ncc3C2)n1 ZINC000598943751 460098141 /nfs/dbraw/zinc/09/81/41/460098141.db2.gz XEMLXGWIASOVOX-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597921562 460111952 /nfs/dbraw/zinc/11/19/52/460111952.db2.gz WALRHYYEUGUPTI-GFCCVEGCSA-N 0 0 348.349 3.471 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597920622 460112145 /nfs/dbraw/zinc/11/21/45/460112145.db2.gz VDYQYXGYVQVEEM-ZDUSSCGKSA-N 0 0 326.780 3.183 10 5 EGBERN CNc1ccc(C(=O)N2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000597922884 460113719 /nfs/dbraw/zinc/11/37/19/460113719.db2.gz OOINLLKBTHKZQO-UHFFFAOYSA-N 0 0 329.356 3.249 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000597926193 460114051 /nfs/dbraw/zinc/11/40/51/460114051.db2.gz RUPUOBQQWYROKV-UHFFFAOYSA-N 0 0 332.360 3.054 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000594141059 460123231 /nfs/dbraw/zinc/12/32/31/460123231.db2.gz UCXVIWCMPCXCPS-ZDUSSCGKSA-N 0 0 336.432 3.440 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000597951632 460124730 /nfs/dbraw/zinc/12/47/30/460124730.db2.gz KSGFDRCAJQNNFJ-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN COc1cc(C)cc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000618717243 460140000 /nfs/dbraw/zinc/14/00/00/460140000.db2.gz CPUDTRVBPRBJKT-UHFFFAOYSA-N 0 0 344.367 3.410 10 5 EGBERN CCC1(CC)CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[S@]1=O ZINC000599067468 460149387 /nfs/dbraw/zinc/14/93/87/460149387.db2.gz DXFOZJFIXWSHBJ-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC([C@@H]2CCOC2)CC1 ZINC000589865113 460153998 /nfs/dbraw/zinc/15/39/98/460153998.db2.gz NQAHFNCLSVCOJA-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598067897 460159268 /nfs/dbraw/zinc/15/92/68/460159268.db2.gz QWRZVJOHOHFJKQ-ZYSHUDEJSA-N 0 0 346.427 3.049 10 5 EGBERN CC(C)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000599114859 460164087 /nfs/dbraw/zinc/16/40/87/460164087.db2.gz GPDHDZZQLYWVHA-UHFFFAOYSA-N 0 0 329.400 3.480 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3nc(C(C)(C)C)ncc3C2)n1 ZINC000599126073 460169331 /nfs/dbraw/zinc/16/93/31/460169331.db2.gz LXKRTOHGLWLKMN-UHFFFAOYSA-N 0 0 341.415 3.257 10 5 EGBERN CC[C@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000610525827 460174847 /nfs/dbraw/zinc/17/48/47/460174847.db2.gz BPZGYPIBPLRZKP-ZDUSSCGKSA-N 0 0 341.323 3.323 10 5 EGBERN CNc1nccc(C(=O)Nc2ccccc2CCC(C)C)c1[N+](=O)[O-] ZINC000594258587 460175628 /nfs/dbraw/zinc/17/56/28/460175628.db2.gz OPBVZCRDRQDXFU-UHFFFAOYSA-N 0 0 342.399 3.294 10 5 EGBERN CC(C)(CNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169460 460185212 /nfs/dbraw/zinc/18/52/12/460185212.db2.gz AEVGBKNSZZRILU-UHFFFAOYSA-N 0 0 325.796 3.309 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1Cc1nc(-c2coc(C3CC3)n2)no1 ZINC000599184761 460192822 /nfs/dbraw/zinc/19/28/22/460192822.db2.gz OJHQEOYMGMHKRB-UHFFFAOYSA-N 0 0 330.275 3.240 10 5 EGBERN C[C@@H](c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1)c1cnccn1 ZINC000599194051 460194771 /nfs/dbraw/zinc/19/47/71/460194771.db2.gz OCVAYJWEJVZEHI-DDTOSNHZSA-N 0 0 337.339 3.191 10 5 EGBERN CC1(c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCCC1 ZINC000599197905 460197168 /nfs/dbraw/zinc/19/71/68/460197168.db2.gz CIOWCWHJKGCOBK-UHFFFAOYSA-N 0 0 331.328 3.248 10 5 EGBERN Cc1nn(C)c(NCc2ccccc2CC(F)(F)F)c1[N+](=O)[O-] ZINC000599197984 460197541 /nfs/dbraw/zinc/19/75/41/460197541.db2.gz VCPIHABPLNAQRW-UHFFFAOYSA-N 0 0 328.294 3.354 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599203419 460198277 /nfs/dbraw/zinc/19/82/77/460198277.db2.gz YVRAHGFQSHSSID-LSDHHAIUSA-N 0 0 345.424 3.396 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203047 460198632 /nfs/dbraw/zinc/19/86/32/460198632.db2.gz XJROROTVXJTOBG-PGLGOXFNSA-N 0 0 344.458 3.242 10 5 EGBERN Cc1c(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000598200077 460202771 /nfs/dbraw/zinc/20/27/71/460202771.db2.gz XGUPJHZHHNGYOD-CTYIDZIISA-N 0 0 326.352 3.243 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598209215 460205017 /nfs/dbraw/zinc/20/50/17/460205017.db2.gz RKBUGODPXGIKQB-SLEUVZQESA-N 0 0 325.368 3.309 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000594403040 460207063 /nfs/dbraw/zinc/20/70/63/460207063.db2.gz WLKSRTHONFJXOG-KOMQPUFPSA-N 0 0 349.431 3.249 10 5 EGBERN C[C@]1(CCNC(=O)CSc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000598216279 460207564 /nfs/dbraw/zinc/20/75/64/460207564.db2.gz OZGYBMNOPGMLLT-ZDUSSCGKSA-N 0 0 330.356 3.239 10 5 EGBERN CC(=O)NCc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000610664563 460208687 /nfs/dbraw/zinc/20/86/87/460208687.db2.gz CVEJZVIREZVTFO-UHFFFAOYSA-N 0 0 347.396 3.162 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000598217627 460208994 /nfs/dbraw/zinc/20/89/94/460208994.db2.gz UZPPITJFWKPIOB-SWLSCSKDSA-N 0 0 326.343 3.325 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCCO1 ZINC000594410557 460209666 /nfs/dbraw/zinc/20/96/66/460209666.db2.gz JKIBUNITFIVBEB-HOCLYGCPSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](CCF)C1 ZINC000598230303 460215445 /nfs/dbraw/zinc/21/54/45/460215445.db2.gz UYNLTLVPSKALLB-GFCCVEGCSA-N 0 0 331.347 3.355 10 5 EGBERN CC[C@](C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000598249298 460221397 /nfs/dbraw/zinc/22/13/97/460221397.db2.gz HWOWDHQCVUKVML-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN O=[N+]([O-])c1ccsc1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000614830330 460231971 /nfs/dbraw/zinc/23/19/71/460231971.db2.gz MXCQHJFVPQXGBX-UHFFFAOYSA-N 0 0 333.348 3.047 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599520735 460266827 /nfs/dbraw/zinc/26/68/27/460266827.db2.gz BARWDKARZDCPOH-HSWBROFVSA-N 0 0 338.429 3.103 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599574609 460277378 /nfs/dbraw/zinc/27/73/78/460277378.db2.gz WCIFHMKGCDYVLE-GOSISDBHSA-N 0 0 337.383 3.497 10 5 EGBERN Cc1cccc2c1CCCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611032883 460280836 /nfs/dbraw/zinc/28/08/36/460280836.db2.gz ACKFHSMBTDASKG-UHFFFAOYSA-N 0 0 346.408 3.186 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(CC(F)C2)C1 ZINC000611077064 460286368 /nfs/dbraw/zinc/28/63/68/460286368.db2.gz SGFQZJDGQQCVCQ-UHFFFAOYSA-N 0 0 347.371 3.292 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000615198691 460291524 /nfs/dbraw/zinc/29/15/24/460291524.db2.gz MXTGJLBRJCAAOO-CYBMUJFWSA-N 0 0 346.305 3.122 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611256342 460319100 /nfs/dbraw/zinc/31/91/00/460319100.db2.gz UWKYJWQYUCYASC-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CCC(CC)C(=O)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603555087 460320482 /nfs/dbraw/zinc/32/04/82/460320482.db2.gz ZHFZDIOMHPDNPD-CQSZACIVSA-N 0 0 333.432 3.236 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000603810419 460342615 /nfs/dbraw/zinc/34/26/15/460342615.db2.gz VAKIVYXAQMRTAT-ZDUSSCGKSA-N 0 0 339.273 3.332 10 5 EGBERN C[C@H](C[C@H]1CCOC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831539 460344156 /nfs/dbraw/zinc/34/41/56/460344156.db2.gz OJGLWDDETHTRQW-VXGBXAGGSA-N 0 0 344.371 3.080 10 5 EGBERN CCOC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000599835212 460344757 /nfs/dbraw/zinc/34/47/57/460344757.db2.gz KKVLVBVLFGJXRG-OAHLLOKOSA-N 0 0 346.387 3.326 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833828 460344866 /nfs/dbraw/zinc/34/48/66/460344866.db2.gz AYLJLLHZWXPGOC-LLVKDONJSA-N 0 0 344.371 3.080 10 5 EGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000619421964 460351727 /nfs/dbraw/zinc/35/17/27/460351727.db2.gz PUEVFRMFXCRUIF-UHFFFAOYSA-N 0 0 326.221 3.387 10 5 EGBERN CCOC(=O)c1nc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611403975 460355764 /nfs/dbraw/zinc/35/57/64/460355764.db2.gz MJZKZRGSOUFGSH-CQSZACIVSA-N 0 0 349.412 3.469 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611505640 460380471 /nfs/dbraw/zinc/38/04/71/460380471.db2.gz DPQWSOZXMFOWPL-PELKAZGASA-N 0 0 345.168 3.177 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611507238 460381114 /nfs/dbraw/zinc/38/11/14/460381114.db2.gz ZELPTHZXINAVPP-KCJUWKMLSA-N 0 0 334.269 3.434 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1O ZINC000611524966 460387459 /nfs/dbraw/zinc/38/74/59/460387459.db2.gz XSPCZSVFKYSTGI-BBRMVZONSA-N 0 0 329.400 3.376 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)c(O)c1 ZINC000619581737 460389496 /nfs/dbraw/zinc/38/94/96/460389496.db2.gz IRKAMBOARMUHAF-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000611538434 460392252 /nfs/dbraw/zinc/39/22/52/460392252.db2.gz DCDMHPCFIYELNS-UHFFFAOYSA-N 0 0 328.372 3.308 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000600145308 460404881 /nfs/dbraw/zinc/40/48/81/460404881.db2.gz AJJBYPIWUXOSHR-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H](O)CC(F)(F)C2)o1 ZINC000615849801 460407582 /nfs/dbraw/zinc/40/75/82/460407582.db2.gz ZPDBQYNFSPTTKY-NSHDSACASA-N 0 0 338.310 3.057 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)CC(F)(F)C3)o2)cc1 ZINC000615849423 460407975 /nfs/dbraw/zinc/40/79/75/460407975.db2.gz MAPALXHZBXDSLO-CYBMUJFWSA-N 0 0 338.310 3.057 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611615911 460413751 /nfs/dbraw/zinc/41/37/51/460413751.db2.gz GZNWONOIOKLCSL-HIFRSBDPSA-N 0 0 348.447 3.128 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611615912 460414381 /nfs/dbraw/zinc/41/43/81/460414381.db2.gz GZNWONOIOKLCSL-UKRRQHHQSA-N 0 0 348.447 3.128 10 5 EGBERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616882 460414735 /nfs/dbraw/zinc/41/47/35/460414735.db2.gz UOSVTWIFZJYIPA-LSDHHAIUSA-N 0 0 348.447 3.128 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000611616652 460415079 /nfs/dbraw/zinc/41/50/79/460415079.db2.gz DACUQOJLSMBRTG-CYBMUJFWSA-N 0 0 343.387 3.251 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600173009 460419311 /nfs/dbraw/zinc/41/93/11/460419311.db2.gz RCUNNBULCXEIKU-LLVKDONJSA-N 0 0 334.397 3.356 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCOC1 ZINC000600173733 460420943 /nfs/dbraw/zinc/42/09/43/460420943.db2.gz SPZRPEPUAVFYJK-STQMWFEESA-N 0 0 338.429 3.008 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCCCc3cccc(F)c3)c2c1 ZINC000611709172 460435154 /nfs/dbraw/zinc/43/51/54/460435154.db2.gz YQEKSMUBWWQGIO-UHFFFAOYSA-N 0 0 326.331 3.144 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](c4ccsc4)C3)c2c1 ZINC000611709095 460435544 /nfs/dbraw/zinc/43/55/44/460435544.db2.gz PWWIZXUBTNXMEI-OAHLLOKOSA-N 0 0 342.380 3.177 10 5 EGBERN CCCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604524815 460441443 /nfs/dbraw/zinc/44/14/43/460441443.db2.gz HKWISFBQGOWJBR-UHFFFAOYSA-N 0 0 325.434 3.322 10 5 EGBERN COc1ccc(C)cc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604546346 460443618 /nfs/dbraw/zinc/44/36/18/460443618.db2.gz QUZJPKRBSXXHHW-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000619784733 460444043 /nfs/dbraw/zinc/44/40/43/460444043.db2.gz NBMBTDLKMOZCFL-LURJTMIESA-N 0 0 329.143 3.116 10 5 EGBERN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000604562721 460448932 /nfs/dbraw/zinc/44/89/32/460448932.db2.gz JVCQRZZYYQWDIK-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3cccnc3)CC2)c1 ZINC000611763004 460454117 /nfs/dbraw/zinc/45/41/17/460454117.db2.gz IFBKZQLDUFDYEC-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1 ZINC000611803305 460467520 /nfs/dbraw/zinc/46/75/20/460467520.db2.gz UHZVEAWABWKESV-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000600418099 460491850 /nfs/dbraw/zinc/49/18/50/460491850.db2.gz BHCRIBRPMNOXCG-MRXNPFEDSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1cccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000600473063 460500688 /nfs/dbraw/zinc/50/06/88/460500688.db2.gz CGCIPUPLQFOJOF-KRWDZBQOSA-N 0 0 330.388 3.003 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000600499635 460505736 /nfs/dbraw/zinc/50/57/36/460505736.db2.gz NIUXGPMCPOLCNE-ZSBFGKGUSA-N 0 0 332.400 3.225 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)CNc1cc([N+](=O)[O-])ccc1C ZINC000600544035 460517015 /nfs/dbraw/zinc/51/70/15/460517015.db2.gz HWVXHIVRCDXXKF-UHFFFAOYSA-N 0 0 333.310 3.116 10 5 EGBERN CCn1nc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000600606284 460543904 /nfs/dbraw/zinc/54/39/04/460543904.db2.gz SLGKWIPXLXYTLX-UHFFFAOYSA-N 0 0 332.360 3.159 10 5 EGBERN C[C@@](CO)(NCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150566 460733723 /nfs/dbraw/zinc/73/37/23/460733723.db2.gz ZOPOSEQBHVXCBG-AWEZNQCLSA-N 0 0 326.805 3.307 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000601156258 460734854 /nfs/dbraw/zinc/73/48/54/460734854.db2.gz NBZMJDBXLCXBJM-UHFFFAOYSA-N 0 0 345.378 3.046 10 5 EGBERN CCOC(=O)C1CCC(Sc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601172210 460740631 /nfs/dbraw/zinc/74/06/31/460740631.db2.gz XHAZRFCCTSICBF-UHFFFAOYSA-N 0 0 328.365 3.343 10 5 EGBERN Cc1cc(N[C@H](CO)c2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000601208412 460750938 /nfs/dbraw/zinc/75/09/38/460750938.db2.gz BVNPXZZGFANLSB-GFCCVEGCSA-N 0 0 341.289 3.463 10 5 EGBERN Cc1scc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1C ZINC000601218559 460754911 /nfs/dbraw/zinc/75/49/11/460754911.db2.gz ZRDVGMNEGOSMIF-UHFFFAOYSA-N 0 0 340.426 3.289 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCC3([C@H]4CCCCO4)CCC3)c21 ZINC000601242152 460763202 /nfs/dbraw/zinc/76/32/02/460763202.db2.gz OZCMEEXNFZJQPQ-OAHLLOKOSA-N 0 0 342.399 3.111 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CCC3)[C@H]3CCCO3)c21 ZINC000601250911 460765447 /nfs/dbraw/zinc/76/54/47/460765447.db2.gz SHWQAPYYMNTQRF-ZBFHGGJFSA-N 0 0 328.372 3.298 10 5 EGBERN C[C@@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC[C@H]1O ZINC000601277689 460773055 /nfs/dbraw/zinc/77/30/55/460773055.db2.gz YJYQTHDMZIAFLB-AEFFLSMTSA-N 0 0 346.427 3.074 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601320717 460787544 /nfs/dbraw/zinc/78/75/44/460787544.db2.gz JCIYYHZCACEOKG-ZACQAIPSSA-N 0 0 344.411 3.090 10 5 EGBERN CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 ZINC000601566006 460834397 /nfs/dbraw/zinc/83/43/97/460834397.db2.gz LEGLGHJFQXLXAR-OAHLLOKOSA-N 0 0 329.356 3.481 10 5 EGBERN COC1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC1 ZINC000601604564 460844144 /nfs/dbraw/zinc/84/41/44/460844144.db2.gz UZXUBBONVJNBIX-UHFFFAOYSA-N 0 0 332.400 3.092 10 5 EGBERN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC2(CCC2)O1 ZINC000601648631 460855922 /nfs/dbraw/zinc/85/59/22/460855922.db2.gz GVICOPYFGIXCMM-AWEZNQCLSA-N 0 0 344.411 3.187 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000601699698 460875557 /nfs/dbraw/zinc/87/55/57/460875557.db2.gz BNHVYVQXVAMFCD-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN C[C@@](CO)(NC(=O)[C@H]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000601780810 460896506 /nfs/dbraw/zinc/89/65/06/460896506.db2.gz UTHXSAMTZFWMLK-UGSOOPFHSA-N 0 0 334.416 3.135 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601878454 460933904 /nfs/dbraw/zinc/93/39/04/460933904.db2.gz YFDYPSOJQWXJAR-BSDSXHPESA-N 0 0 344.411 3.162 10 5 EGBERN Cc1nn(CC2(O)CCC(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000601956640 460960845 /nfs/dbraw/zinc/96/08/45/460960845.db2.gz SHJJTZAPFUQBEA-UHFFFAOYSA-N 0 0 329.400 3.497 10 5 EGBERN C[C@@H](C(=O)NCC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617748826 460965320 /nfs/dbraw/zinc/96/53/20/460965320.db2.gz ISUMIZWGWPCPHE-CJNGLKHVSA-N 0 0 334.416 3.410 10 5 EGBERN Nc1cc(N[C@@H]2CCSc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000613535513 460984323 /nfs/dbraw/zinc/98/43/23/460984323.db2.gz GFKJYVRYGTVCSX-CQSZACIVSA-N 0 0 349.387 3.457 10 5 EGBERN Cc1nc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000189780952 534572812 /nfs/dbraw/zinc/57/28/12/534572812.db2.gz KBBJSCNPLNGMBP-HOTGVXAUSA-N 0 0 333.413 3.230 10 5 EGBERN O=C(NCCCCOCc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183642292 534838722 /nfs/dbraw/zinc/83/87/22/534838722.db2.gz DDUVQZQJCKHYED-UHFFFAOYSA-N 0 0 344.371 3.108 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1ccnc1C ZINC000182853637 527500247 /nfs/dbraw/zinc/50/02/47/527500247.db2.gz CIASSJIGMYGABH-YPKPFQOOSA-N 0 0 342.399 3.100 10 5 EGBERN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000363871910 536150670 /nfs/dbraw/zinc/15/06/70/536150670.db2.gz IWEPSSPAPYZNLE-QGZVFWFLSA-N 0 0 340.383 3.033 10 5 EGBERN CC1(C)Cc2cccc(Oc3ccc(C(N)=O)cc3[N+](=O)[O-])c2O1 ZINC000003449937 546508512 /nfs/dbraw/zinc/50/85/12/546508512.db2.gz YINSFDULLGVLIP-UHFFFAOYSA-N 0 0 328.324 3.200 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000374204896 547804476 /nfs/dbraw/zinc/80/44/76/547804476.db2.gz MCGOYLBMWPJNGC-INIZCTEOSA-N 0 0 348.399 3.073 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000374536670 547809659 /nfs/dbraw/zinc/80/96/59/547809659.db2.gz YHSNZSYPSOXGSF-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc1 ZINC000672785094 548480305 /nfs/dbraw/zinc/48/03/05/548480305.db2.gz IUIKVWXSJSHEPW-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC2(CC(F)C2)C1 ZINC000672905782 548502117 /nfs/dbraw/zinc/50/21/17/548502117.db2.gz XCTYLBYJEXMVHW-UHFFFAOYSA-N 0 0 336.366 3.255 10 5 EGBERN COc1cc(C(=O)OCC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000726360371 574550625 /nfs/dbraw/zinc/55/06/25/574550625.db2.gz NKTCCMLFUHBQSG-UHFFFAOYSA-N 0 0 333.287 3.408 10 5 EGBERN CC(C)Oc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000726428895 574552653 /nfs/dbraw/zinc/55/26/53/574552653.db2.gz AWEGNWAOSCYSFW-UHFFFAOYSA-N 0 0 340.335 3.178 10 5 EGBERN COC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000727088584 574647348 /nfs/dbraw/zinc/64/73/48/574647348.db2.gz JAJXRAHDRLBJHY-HNNXBMFYSA-N 0 0 331.397 3.269 10 5 EGBERN CCn1c(COC(=O)c2ccccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000727504577 574672019 /nfs/dbraw/zinc/67/20/19/574672019.db2.gz QCNDNPZKKXXBII-UHFFFAOYSA-N 0 0 343.314 3.461 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000727826764 574692336 /nfs/dbraw/zinc/69/23/36/574692336.db2.gz ALHAJHYDIRBQJJ-VMSUTVGLSA-N 0 0 348.399 3.134 10 5 EGBERN CCCCc1noc([C@@H](C)OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000727900364 574700256 /nfs/dbraw/zinc/70/02/56/574700256.db2.gz IVQNGHCNKCTAFR-SNVBAGLBSA-N 0 0 348.359 3.129 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728502737 574755491 /nfs/dbraw/zinc/75/54/91/574755491.db2.gz OGUVVABRNIMCGO-UKRRQHHQSA-N 0 0 338.379 3.444 10 5 EGBERN CC(C)COc1ncccc1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000728670534 574765804 /nfs/dbraw/zinc/76/58/04/574765804.db2.gz JZQPRXRTTOGOFH-UHFFFAOYSA-N 0 0 336.369 3.443 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1nc(Cl)ccc1Cl ZINC000729902710 574894725 /nfs/dbraw/zinc/89/47/25/574894725.db2.gz GGHVAGLWNLBMKT-UHFFFAOYSA-N 0 0 342.138 3.357 10 5 EGBERN CCOc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1[N+](=O)[O-] ZINC000731800758 575209004 /nfs/dbraw/zinc/20/90/04/575209004.db2.gz HLTUKWUTIDWBRS-UHFFFAOYSA-N 0 0 326.312 3.293 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000732050616 575234131 /nfs/dbraw/zinc/23/41/31/575234131.db2.gz XCDOZIIEYPTEQS-VURMDHGXSA-N 0 0 341.367 3.139 10 5 EGBERN O=C(OCc1noc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000733106384 575309337 /nfs/dbraw/zinc/30/93/37/575309337.db2.gz PXDFQYJIRKVDRX-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN Cc1sc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221758 575618215 /nfs/dbraw/zinc/61/82/15/575618215.db2.gz SHJXUGQGVDSFTO-CQSZACIVSA-N 0 0 346.408 3.396 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(N2CCCC2=O)cc1 ZINC000735486496 575668112 /nfs/dbraw/zinc/66/81/12/575668112.db2.gz FAHNBMMANOTFMZ-LBPRGKRZSA-N 0 0 326.356 3.290 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2N1 ZINC000744171716 576822277 /nfs/dbraw/zinc/82/22/77/576822277.db2.gz WBHPWXRGCMBCKZ-DOOHLRMFSA-N 0 0 341.411 3.494 10 5 EGBERN Cc1[nH]nc2ncc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000744784429 576834352 /nfs/dbraw/zinc/83/43/52/576834352.db2.gz CSZGLYXPJFYHRE-JTQLQIEISA-N 0 0 326.312 3.093 10 5 EGBERN Cn1cc(-c2cccc(C(=O)OCc3csc([N+](=O)[O-])c3)c2)cn1 ZINC000745221234 576843804 /nfs/dbraw/zinc/84/38/04/576843804.db2.gz LTDHUQXDTKBJKL-UHFFFAOYSA-N 0 0 343.364 3.414 10 5 EGBERN C[C@H](OC(=O)/C=C/C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000745551387 576849896 /nfs/dbraw/zinc/84/98/96/576849896.db2.gz MBBTXNAFXFFXIJ-IYNCYZAOSA-N 0 0 338.747 3.085 10 5 EGBERN NC(=O)CCOc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000121419806 1293370488 /nfs/dbraw/zinc/37/04/88/1293370488.db2.gz NFDPXXFSDCXTRJ-UHFFFAOYSA-N 0 0 349.774 3.115 10 5 EGBERN CN(C)c1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000132700331 1293726974 /nfs/dbraw/zinc/72/69/74/1293726974.db2.gz RWMQNTKAYHHTKI-UHFFFAOYSA-N 0 0 339.710 3.068 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170795893 1294382402 /nfs/dbraw/zinc/38/24/02/1294382402.db2.gz AUFKAIFEHQSCIR-VIFPVBQESA-N 0 0 338.285 3.373 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171118301 1294394421 /nfs/dbraw/zinc/39/44/21/1294394421.db2.gz ANWMYGLLAZALDO-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN CN1C[C@@H](NC(=O)c2c3ccccc3cc3ccccc32)CCC1=O ZINC000173452402 1294462172 /nfs/dbraw/zinc/46/21/72/1294462172.db2.gz NPMBBUBZXRRPLC-INIZCTEOSA-N 0 0 332.403 3.344 10 5 EGBERN O=C(OCCOc1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870202932 1295736057 /nfs/dbraw/zinc/73/60/57/1295736057.db2.gz ULSJBTAITIMSOX-UHFFFAOYSA-N 0 0 342.351 3.034 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cccn(C3CC3)c2=O)cc1[N+](=O)[O-] ZINC000870234046 1295753887 /nfs/dbraw/zinc/75/38/87/1295753887.db2.gz QUQVKESUFPRRTE-LBPRGKRZSA-N 0 0 342.351 3.318 10 5 EGBERN Cc1ccc(OC(=O)c2cccn(C(C)(C)C)c2=O)cc1[N+](=O)[O-] ZINC000870254798 1295767294 /nfs/dbraw/zinc/76/72/94/1295767294.db2.gz MDGDOMPMDSWDEW-UHFFFAOYSA-N 0 0 330.340 3.039 10 5 EGBERN Cc1cnc(F)c(C(=O)O[C@@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])c1 ZINC000870454458 1295882598 /nfs/dbraw/zinc/88/25/98/1295882598.db2.gz LFNJXAVSMUBIDS-IINYFYTJSA-N 0 0 336.294 3.232 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000870727519 1296046673 /nfs/dbraw/zinc/04/66/73/1296046673.db2.gz JATBRBDYXRPLHK-KOLCDFICSA-N 0 0 346.305 3.253 10 5 EGBERN C[C@@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870827256 1296105139 /nfs/dbraw/zinc/10/51/39/1296105139.db2.gz WNOXFDHBYHZAJV-YGONEPDPSA-N 0 0 329.356 3.232 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000871097258 1296222122 /nfs/dbraw/zinc/22/21/22/1296222122.db2.gz KSYASJJVIWGCEL-KYZUINATSA-N 0 0 334.319 3.237 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871371346 1296374935 /nfs/dbraw/zinc/37/49/35/1296374935.db2.gz AHFNODSXHJPNKB-SFHVURJKSA-N 0 0 343.358 3.278 10 5 EGBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000871476094 1296408829 /nfs/dbraw/zinc/40/88/29/1296408829.db2.gz BGZZMJBPNCPMCZ-CZUORRHYSA-N 0 0 348.399 3.103 10 5 EGBERN C[C@@H](NCCOCC(F)(F)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872066231 1296711817 /nfs/dbraw/zinc/71/18/17/1296711817.db2.gz LCHDIRPJDKBWNI-MRVPVSSYSA-N 0 0 342.264 3.302 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1ccn(C(F)F)n1 ZINC000873543326 1297572917 /nfs/dbraw/zinc/57/29/17/1297572917.db2.gz DPRCWYHYXRZODV-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000873579954 1297604798 /nfs/dbraw/zinc/60/47/98/1297604798.db2.gz GYJSNVFKFGRANN-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN Cc1cc(F)c(Br)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000877468263 1299321449 /nfs/dbraw/zinc/32/14/49/1299321449.db2.gz CPIDRUFBIMVGCK-UHFFFAOYSA-N 0 0 343.156 3.150 10 5 EGBERN Cc1cc(F)c(C(F)(F)F)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000877546973 1299388150 /nfs/dbraw/zinc/38/81/50/1299388150.db2.gz ZILRLGYITFFRME-UHFFFAOYSA-N 0 0 332.257 3.407 10 5 EGBERN CC[C@H]1CCC[C@]1(C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000879799280 1300741586 /nfs/dbraw/zinc/74/15/86/1300741586.db2.gz LLZWGLBDUPVMEN-GUYCJALGSA-N 0 0 334.420 3.171 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(c2nccc(C)n2)CC1 ZINC000882183097 1301866448 /nfs/dbraw/zinc/86/64/48/1301866448.db2.gz YNGZWJREUQBXQP-UHFFFAOYSA-N 0 0 340.383 3.280 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)ccc1[N+](=O)[O-] ZINC000884699404 1302956461 /nfs/dbraw/zinc/95/64/61/1302956461.db2.gz BUDQOXRISRGZBR-KSBHJAGGSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000885475374 1303155554 /nfs/dbraw/zinc/15/55/54/1303155554.db2.gz WOKGDBXFKCKXIU-XQDAIKIWSA-N 0 0 344.411 3.320 10 5 EGBERN O=C(NCC[C@@H]1CCC2(CCC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000886050184 1303335951 /nfs/dbraw/zinc/33/59/51/1303335951.db2.gz ACFYZESGLNLXCO-YESZJQIVSA-N 0 0 344.411 3.306 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887482835 1303814660 /nfs/dbraw/zinc/81/46/60/1303814660.db2.gz YDUYPTNBWDFKSP-AGVIVAOSSA-N 0 0 330.384 3.072 10 5 EGBERN O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000887830723 1303949321 /nfs/dbraw/zinc/94/93/21/1303949321.db2.gz SYSPZBODKQEQJQ-RYUDHWBXSA-N 0 0 332.356 3.131 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1C1CCOCC1 ZINC000892639119 1305483431 /nfs/dbraw/zinc/48/34/31/1305483431.db2.gz IOMSDYQFXNJLIL-GOEBONIOSA-N 0 0 341.367 3.144 10 5 EGBERN CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000892743066 1305534923 /nfs/dbraw/zinc/53/49/23/1305534923.db2.gz XFPPBHCAVUHGMX-UONOGXRCSA-N 0 0 327.340 3.131 10 5 EGBERN Cn1c(Cl)ncc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000893124570 1305719869 /nfs/dbraw/zinc/71/98/69/1305719869.db2.gz NTWJXGJYXKEVCO-UHFFFAOYSA-N 0 0 337.763 3.003 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3c2CCOC3)c1C ZINC000893149012 1305732565 /nfs/dbraw/zinc/73/25/65/1305732565.db2.gz APJSOQVVKWWCKS-UHFFFAOYSA-N 0 0 340.379 3.214 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1ccns1 ZINC000893378846 1305859886 /nfs/dbraw/zinc/85/98/86/1305859886.db2.gz ITUUKAREQYIPNX-JTQLQIEISA-N 0 0 338.410 3.318 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893858638 1306101021 /nfs/dbraw/zinc/10/10/21/1306101021.db2.gz RHMQAPCRUQQDGF-AAEUAGOBSA-N 0 0 340.807 3.492 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000893909493 1306124114 /nfs/dbraw/zinc/12/41/14/1306124114.db2.gz PDEBVAICTWHRFB-GFCCVEGCSA-N 0 0 338.791 3.388 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894403658 1308857495 /nfs/dbraw/zinc/85/74/95/1308857495.db2.gz WRBYEQPEGJBMIP-WQMJKPAKSA-N 0 0 330.384 3.074 10 5 EGBERN C[C@@H](C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000894502657 1308925401 /nfs/dbraw/zinc/92/54/01/1308925401.db2.gz DOVXLQBCSMKKMZ-DGCLKSJQSA-N 0 0 338.379 3.159 10 5 EGBERN CC(=O)c1ccc(N[C@@H](CO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000895679049 1309461481 /nfs/dbraw/zinc/46/14/81/1309461481.db2.gz LKFXZCDRPMZORT-MRXNPFEDSA-N 0 0 328.368 3.203 10 5 EGBERN CC(=O)c1c(N[C@H]2C[C@@](CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000896696251 1309976861 /nfs/dbraw/zinc/97/68/61/1309976861.db2.gz BCGFUYOESHMJSP-GLRZTSSQSA-N 0 0 340.379 3.302 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000897010208 1310133823 /nfs/dbraw/zinc/13/38/23/1310133823.db2.gz IHDPOGRCHBPVBM-OICBVUGWSA-N 0 0 341.367 3.143 10 5 EGBERN Cn1c(-c2nc([C@@H]3CCOC4(CCCC4)C3)no2)ccc1[N+](=O)[O-] ZINC000897192534 1310217397 /nfs/dbraw/zinc/21/73/97/1310217397.db2.gz FFZQWVFXNOZRJL-LLVKDONJSA-N 0 0 332.360 3.190 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](NC1CC1)C(F)(F)F ZINC000897227481 1310231374 /nfs/dbraw/zinc/23/13/74/1310231374.db2.gz DVCLFVUQDFHAAV-AWEZNQCLSA-N 0 0 345.321 3.282 10 5 EGBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCCCC1 ZINC000857574867 1328551689 /nfs/dbraw/zinc/55/16/89/1328551689.db2.gz DLPZAUKBSMYCLE-CQSZACIVSA-N 0 0 328.315 3.407 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C1CC2(CC2(F)F)C1 ZINC000857584001 1328555011 /nfs/dbraw/zinc/55/50/11/1328555011.db2.gz HNGSJBUCIAKVRU-UHFFFAOYSA-N 0 0 348.309 3.154 10 5 EGBERN O=C(Nc1ccnc(F)c1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000857698505 1328587610 /nfs/dbraw/zinc/58/76/10/1328587610.db2.gz KSKIQLHYPMCURE-UHFFFAOYSA-N 0 0 348.309 3.121 10 5 EGBERN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000929583521 1328639005 /nfs/dbraw/zinc/63/90/05/1328639005.db2.gz JUTLHBQSZHURLE-LBPRGKRZSA-N 0 0 341.367 3.455 10 5 EGBERN Cc1nc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858009870 1328655135 /nfs/dbraw/zinc/65/51/35/1328655135.db2.gz VCVBLJHFXWGZHX-OAHLLOKOSA-N 0 0 340.383 3.228 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](n1cccn1)C(F)(F)F ZINC000858209146 1328712104 /nfs/dbraw/zinc/71/21/04/1328712104.db2.gz DHXJXXCEWFUERV-LBPRGKRZSA-N 0 0 348.712 3.338 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858270791 1328726661 /nfs/dbraw/zinc/72/66/61/1328726661.db2.gz MXAVNMHNEXHUIX-WDEREUQCSA-N 0 0 334.401 3.481 10 5 EGBERN CCCCO[C@@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384653 1319018913 /nfs/dbraw/zinc/01/89/13/1319018913.db2.gz AHYREDWAZHVSRD-VIFPVBQESA-N 0 0 332.759 3.209 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000913385100 1319019964 /nfs/dbraw/zinc/01/99/64/1319019964.db2.gz PHXJBWAXNOOCSU-SECBINFHSA-N 0 0 332.784 3.147 10 5 EGBERN C[C@H]1CC[C@@H](CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)O1 ZINC000913385213 1319020006 /nfs/dbraw/zinc/02/00/06/1319020006.db2.gz TUXNYJAJOXBAMH-ONGXEEELSA-N 0 0 344.770 3.351 10 5 EGBERN O=C(CCCC(=O)C1CC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385658 1319020240 /nfs/dbraw/zinc/02/02/40/1319020240.db2.gz GTAIALRWVFQTCG-UHFFFAOYSA-N 0 0 342.754 3.153 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913423347 1319033962 /nfs/dbraw/zinc/03/39/62/1319033962.db2.gz FRANYHDVVHRRRM-MRVPVSSYSA-N 0 0 332.784 3.260 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913668401 1319091902 /nfs/dbraw/zinc/09/19/02/1319091902.db2.gz ZFOJZBRVNWTOOT-BXUZGUMPSA-N 0 0 340.807 3.207 10 5 EGBERN COCOCCCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000858605882 1328808022 /nfs/dbraw/zinc/80/80/22/1328808022.db2.gz AIBFZTGDXCMILU-UHFFFAOYSA-N 0 0 333.182 3.088 10 5 EGBERN CCn1ncc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000858652352 1328819231 /nfs/dbraw/zinc/81/92/31/1328819231.db2.gz GWCHFXKIEVOPHV-UHFFFAOYSA-N 0 0 329.282 3.146 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](n1cccn1)C(F)(F)F ZINC000858656185 1328819349 /nfs/dbraw/zinc/81/93/49/1328819349.db2.gz XEXQGHZBZXBVLG-ZDUSSCGKSA-N 0 0 342.277 3.209 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000914364179 1319308722 /nfs/dbraw/zinc/30/87/22/1319308722.db2.gz QYDMPWKLBIFJIH-GFCCVEGCSA-N 0 0 340.445 3.235 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3n2)c2nonc21 ZINC000914862879 1319390105 /nfs/dbraw/zinc/39/01/05/1319390105.db2.gz VMVVWICGMMUOLQ-UHFFFAOYSA-N 0 0 344.718 3.044 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cnn(-c3ccccc3)n2)c(Cl)c1 ZINC000915355336 1319473015 /nfs/dbraw/zinc/47/30/15/1319473015.db2.gz QCIWUIMWVWBJCL-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@H]1CC1CC1 ZINC000930316886 1328832450 /nfs/dbraw/zinc/83/24/50/1328832450.db2.gz PTVTUTODTYBSRT-CQSZACIVSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1c(OC(=O)c2coc(Br)c2)cccc1[N+](=O)[O-] ZINC000917048587 1319744311 /nfs/dbraw/zinc/74/43/11/1319744311.db2.gz RKOBATMBDCAMKV-UHFFFAOYSA-N 0 0 326.102 3.478 10 5 EGBERN COc1ccc(OS(=O)(=O)/C=C\c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000917848742 1319881462 /nfs/dbraw/zinc/88/14/62/1319881462.db2.gz CNLQNVIBILFSFH-KTKRTIGZSA-N 0 0 349.364 3.291 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CC1(Cl)Cl ZINC000918534981 1319970976 /nfs/dbraw/zinc/97/09/76/1319970976.db2.gz RQWQOFQRNBKHDJ-SNVBAGLBSA-N 0 0 334.155 3.231 10 5 EGBERN CN(Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000859384182 1328980167 /nfs/dbraw/zinc/98/01/67/1328980167.db2.gz BSDYYPJFWKHOES-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN CCO[C@@H](COC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000859446289 1328988293 /nfs/dbraw/zinc/98/82/93/1328988293.db2.gz BRIMMFUCFUPLPO-ZDUSSCGKSA-N 0 0 325.386 3.045 10 5 EGBERN O=C(CCc1nc2ccccc2o1)OCc1csc([N+](=O)[O-])c1 ZINC000919001614 1322019217 /nfs/dbraw/zinc/01/92/17/1322019217.db2.gz UTFNBNREXVDEIW-UHFFFAOYSA-N 0 0 332.337 3.474 10 5 EGBERN O=C(CCc1ccc2c(c1)OCCO2)OCc1csc([N+](=O)[O-])c1 ZINC000919028466 1322022440 /nfs/dbraw/zinc/02/24/40/1322022440.db2.gz WIIYSTPRXMGOEN-UHFFFAOYSA-N 0 0 349.364 3.104 10 5 EGBERN COc1ccc2[nH]cc(CC(=O)OCc3csc([N+](=O)[O-])c3)c2c1 ZINC000919145513 1322031470 /nfs/dbraw/zinc/03/14/70/1322031470.db2.gz JQSRCBLKULTQLP-UHFFFAOYSA-N 0 0 346.364 3.432 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(CC2CCOCC2)C1 ZINC000919747829 1322102399 /nfs/dbraw/zinc/10/23/99/1322102399.db2.gz UMVSZGRAOYLAJC-UHFFFAOYSA-N 0 0 346.427 3.409 10 5 EGBERN C[C@@H](OC(=O)c1cnn(C)c1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000920155285 1322145528 /nfs/dbraw/zinc/14/55/28/1322145528.db2.gz NQQXQDFJMTXOBQ-MRVPVSSYSA-N 0 0 343.261 3.265 10 5 EGBERN CC1(C)CC[C@H](n2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)C1=O ZINC000920416618 1322175436 /nfs/dbraw/zinc/17/54/36/1322175436.db2.gz DSHRYWKVPPNUDK-NSHDSACASA-N 0 0 334.763 3.437 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)OCCOc1cccc(Cl)c1 ZINC000921509230 1322334494 /nfs/dbraw/zinc/33/44/94/1322334494.db2.gz JKYSVWGFAPZCEG-UHFFFAOYSA-N 0 0 335.743 3.413 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNCc1cn(C)nc1C1CCCC1 ZINC000921688012 1322378860 /nfs/dbraw/zinc/37/88/60/1322378860.db2.gz PNNAYQQMRFGPDV-UHFFFAOYSA-N 0 0 344.415 3.284 10 5 EGBERN C[C@H]1C[C@@H]1COC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000859588561 1329027961 /nfs/dbraw/zinc/02/79/61/1329027961.db2.gz JFXPNSHHOMUZJD-WCBMZHEXSA-N 0 0 328.162 3.099 10 5 EGBERN CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000922143595 1322465710 /nfs/dbraw/zinc/46/57/10/1322465710.db2.gz YLWJBWMKVXMYDJ-GWCFXTLKSA-N 0 0 326.780 3.183 10 5 EGBERN Cn1c(C(=O)OC[C@@H]2[C@@H](c3ccccc3)C2(F)F)ccc1[N+](=O)[O-] ZINC000922296922 1322494805 /nfs/dbraw/zinc/49/48/05/1322494805.db2.gz SDDKTCHZMTUPED-BXUZGUMPSA-N 0 0 336.294 3.139 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1F ZINC000922372794 1322512241 /nfs/dbraw/zinc/51/22/41/1322512241.db2.gz GWWZJBDUGLJWFN-KCJUWKMLSA-N 0 0 337.225 3.001 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC000922383972 1322514433 /nfs/dbraw/zinc/51/44/33/1322514433.db2.gz YKDAEJKDXGAQCV-ZSPDNNCOSA-N 0 0 327.283 3.052 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000922432570 1322528480 /nfs/dbraw/zinc/52/84/80/1322528480.db2.gz RGTWQZZYHYUJBF-WDEREUQCSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000922523295 1322548035 /nfs/dbraw/zinc/54/80/35/1322548035.db2.gz JXOIVRAYWYTHRK-KCJUWKMLSA-N 0 0 337.225 3.001 10 5 EGBERN Cc1c(CC(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922547076 1322554045 /nfs/dbraw/zinc/55/40/45/1322554045.db2.gz LKGIQICQEWJMJV-DGCLKSJQSA-N 0 0 347.289 3.099 10 5 EGBERN CN(C)c1cc(F)c(C(=O)OCCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000922756547 1322611457 /nfs/dbraw/zinc/61/14/57/1322611457.db2.gz LADZOZOMGHKCHI-UHFFFAOYSA-N 0 0 334.294 3.392 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000922917393 1322648771 /nfs/dbraw/zinc/64/87/71/1322648771.db2.gz GPBNPVSPBPLORC-XVKPBYJWSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000923427100 1322749740 /nfs/dbraw/zinc/74/97/40/1322749740.db2.gz QZVRYRAHZRNWGE-OAHLLOKOSA-N 0 0 333.384 3.420 10 5 EGBERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCc1ccc([N+](=O)[O-])cc1 ZINC000923723816 1322797986 /nfs/dbraw/zinc/79/79/86/1322797986.db2.gz CJFGJMFABSGUGG-VXGBXAGGSA-N 0 0 333.262 3.138 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc(C[C@H]2CCCO2)no1 ZINC000923963928 1322857388 /nfs/dbraw/zinc/85/73/88/1322857388.db2.gz ORAWNBPBOVNBCJ-SNVBAGLBSA-N 0 0 337.763 3.138 10 5 EGBERN COC1(c2noc(CCc3c(Cl)cccc3[N+](=O)[O-])n2)CCC1 ZINC000923967098 1322859217 /nfs/dbraw/zinc/85/92/17/1322859217.db2.gz YWESSKXGJCFSLT-UHFFFAOYSA-N 0 0 337.763 3.442 10 5 EGBERN COC[C@H](C)Cc1noc(CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000924111172 1322903495 /nfs/dbraw/zinc/90/34/95/1322903495.db2.gz FJBRWGWSCQHZIX-SNVBAGLBSA-N 0 0 339.779 3.241 10 5 EGBERN CC1(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC=CC1 ZINC000924195027 1322930698 /nfs/dbraw/zinc/93/06/98/1322930698.db2.gz JGVBASHGJSABPN-UHFFFAOYSA-N 0 0 338.747 3.086 10 5 EGBERN Cc1nn(C)c(-c2nc(CC3CCC(F)(F)CC3)no2)c1[N+](=O)[O-] ZINC000924261113 1322955861 /nfs/dbraw/zinc/95/58/61/1322955861.db2.gz OSWVUNXERZPCMN-UHFFFAOYSA-N 0 0 341.318 3.055 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000924401152 1323008339 /nfs/dbraw/zinc/00/83/39/1323008339.db2.gz WYOPKTOXUVRUPQ-ZMSDIMECSA-N 0 0 331.416 3.215 10 5 EGBERN CC[C@H](CC(F)F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859717678 1329062875 /nfs/dbraw/zinc/06/28/75/1329062875.db2.gz MPUUJBICIAUFNT-MRVPVSSYSA-N 0 0 333.262 3.141 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000924465461 1323030689 /nfs/dbraw/zinc/03/06/89/1323030689.db2.gz NYYXWXKCEMEFQU-NOZJJQNGSA-N 0 0 342.754 3.028 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000925037853 1323253382 /nfs/dbraw/zinc/25/33/82/1323253382.db2.gz JGUYMPHKJXNFSJ-ZDUSSCGKSA-N 0 0 336.388 3.268 10 5 EGBERN COC(=O)[C@@](C)(NCCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000931262364 1329081196 /nfs/dbraw/zinc/08/11/96/1329081196.db2.gz UTDBLHZWQQHBSE-HNNXBMFYSA-N 0 0 330.331 3.008 10 5 EGBERN Cc1ccc(F)c(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC000931468706 1329126032 /nfs/dbraw/zinc/12/60/32/1329126032.db2.gz BZYMKHKJVCVQCS-QGZVFWFLSA-N 0 0 336.338 3.179 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccnn1C ZINC000931495238 1329130381 /nfs/dbraw/zinc/13/03/81/1329130381.db2.gz FPJDKFYYBRHWHF-INIZCTEOSA-N 0 0 343.387 3.260 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000931496669 1329130967 /nfs/dbraw/zinc/13/09/67/1329130967.db2.gz WYKXSHYHLMRSBE-GOEBONIOSA-N 0 0 333.388 3.236 10 5 EGBERN Cc1noc(COC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000860148042 1329159456 /nfs/dbraw/zinc/15/94/56/1329159456.db2.gz XTTJGEGEKMWWHI-QWHCGFSZSA-N 0 0 334.303 3.267 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925251690 1325097709 /nfs/dbraw/zinc/09/77/09/1325097709.db2.gz GDGFFRFVCRIWLB-UBHAPETDSA-N 0 0 331.294 3.153 10 5 EGBERN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000926315657 1325514298 /nfs/dbraw/zinc/51/42/98/1325514298.db2.gz JFPXCUDFSDYFNK-NEPJUHHUSA-N 0 0 347.293 3.216 10 5 EGBERN CC(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000926877004 1327751378 /nfs/dbraw/zinc/75/13/78/1327751378.db2.gz CDARXFUKTIBCGO-CQSZACIVSA-N 0 0 332.381 3.353 10 5 EGBERN Cn1c(C(=O)OC[C@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000861008800 1329377508 /nfs/dbraw/zinc/37/75/08/1329377508.db2.gz SVBSJVWWNTVGKV-LLVKDONJSA-N 0 0 342.273 3.436 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927301706 1327963925 /nfs/dbraw/zinc/96/39/25/1327963925.db2.gz ZFCNTOIPKLBEDA-SCLBCKFNSA-N 0 0 326.327 3.148 10 5 EGBERN Cc1sc(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000927311381 1327968047 /nfs/dbraw/zinc/96/80/47/1327968047.db2.gz DZLFGWDKGNKFBV-SUMWQHHRSA-N 0 0 328.393 3.378 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927396769 1328005238 /nfs/dbraw/zinc/00/52/38/1328005238.db2.gz ISBSUXRKQBEGCN-VGPLMAKISA-N 0 0 336.413 3.007 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927427547 1328022271 /nfs/dbraw/zinc/02/22/71/1328022271.db2.gz AISANYOAHKFJRV-BBRMVZONSA-N 0 0 333.388 3.230 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000861181217 1329395304 /nfs/dbraw/zinc/39/53/04/1329395304.db2.gz LLBFYTINTFANNG-WCBMZHEXSA-N 0 0 344.161 3.078 10 5 EGBERN C[C@H](C(=O)N1CCS[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000928137545 1328210833 /nfs/dbraw/zinc/21/08/33/1328210833.db2.gz ZHFDZQANBYVDGV-JOYOIKCWSA-N 0 0 348.346 3.205 10 5 EGBERN Cc1cccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000928140374 1328214197 /nfs/dbraw/zinc/21/41/97/1328214197.db2.gz GXKYWCIIPFPLJD-JTQLQIEISA-N 0 0 334.319 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928143955 1328214859 /nfs/dbraw/zinc/21/48/59/1328214859.db2.gz UYYRIRYXPURFQG-NSHDSACASA-N 0 0 348.346 3.332 10 5 EGBERN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)(C)O ZINC000861286368 1329404912 /nfs/dbraw/zinc/40/49/12/1329404912.db2.gz AMAXZGPCJTVZKB-INIZCTEOSA-N 0 0 330.384 3.273 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928274854 1328270633 /nfs/dbraw/zinc/27/06/33/1328270633.db2.gz PHRDGEQNVKWJTF-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928281511 1328275204 /nfs/dbraw/zinc/27/52/04/1328275204.db2.gz ZAOJSURHNOKGCI-AWEZNQCLSA-N 0 0 345.424 3.075 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928368737 1328291656 /nfs/dbraw/zinc/29/16/56/1328291656.db2.gz YAXKZRQJGXJBMK-AWEZNQCLSA-N 0 0 348.790 3.267 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861432060 1329417660 /nfs/dbraw/zinc/41/76/60/1329417660.db2.gz SBCMYBQBTKELLJ-GOSISDBHSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(C[C@H]1CCCO1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443822 1329418446 /nfs/dbraw/zinc/41/84/46/1329418446.db2.gz GTFGNBHYHIIWOO-DGCLKSJQSA-N 0 0 333.262 3.311 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2ccn(C)n2)C1 ZINC000929118684 1328510254 /nfs/dbraw/zinc/51/02/54/1328510254.db2.gz SBBDWBXRSOPXGD-ZDUSSCGKSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1nc2sccn2c1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000861814765 1329442853 /nfs/dbraw/zinc/44/28/53/1329442853.db2.gz WARRFIDGYCGVKH-UHFFFAOYSA-N 0 0 344.396 3.278 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H](O)C12CCCC2 ZINC000861826125 1329444086 /nfs/dbraw/zinc/44/40/86/1329444086.db2.gz GRQDFCWWTADLKC-KRWDZBQOSA-N 0 0 340.379 3.268 10 5 EGBERN C/C(=C\C(=O)N1CCC(=O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862773042 1329508091 /nfs/dbraw/zinc/50/80/91/1329508091.db2.gz QDJUMAKNJKRPCN-JLHYYAGUSA-N 0 0 330.384 3.216 10 5 EGBERN CC1(C)C[C@H](SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000863356169 1329549676 /nfs/dbraw/zinc/54/96/76/1329549676.db2.gz VOKCKCIEHSPDHR-JTQLQIEISA-N 0 0 344.820 3.487 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000863604672 1329566424 /nfs/dbraw/zinc/56/64/24/1329566424.db2.gz ZEKHJWTXWQDEMU-NXEZZACHSA-N 0 0 337.426 3.409 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccns1 ZINC000863612553 1329567410 /nfs/dbraw/zinc/56/74/10/1329567410.db2.gz LOJXIKWDWIIPRB-SECBINFHSA-N 0 0 337.376 3.345 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000863817112 1329583672 /nfs/dbraw/zinc/58/36/72/1329583672.db2.gz HEQISEVANVPBOR-VUDBWIFFSA-N 0 0 346.412 3.418 10 5 EGBERN C[C@@H]1C[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000864660629 1329635339 /nfs/dbraw/zinc/63/53/39/1329635339.db2.gz GBXBDFGHKAJFLD-BREBYQMCSA-N 0 0 326.780 3.020 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CC2(CO1)CCOCC2 ZINC000865359547 1329688795 /nfs/dbraw/zinc/68/87/95/1329688795.db2.gz ORQRMOVWMPBUSR-NSHDSACASA-N 0 0 327.764 3.213 10 5 EGBERN CC(C)Oc1cccc([C@H](O)CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000865543538 1329711638 /nfs/dbraw/zinc/71/16/38/1329711638.db2.gz PNLSZWMBUIXJND-OAHLLOKOSA-N 0 0 335.335 3.062 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CC(c3ccc(Cl)cc3)C2)cc1F ZINC000865856365 1329746008 /nfs/dbraw/zinc/74/60/08/1329746008.db2.gz GTJFNUCRAHQHDX-UHFFFAOYSA-N 0 0 336.750 3.483 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCF)C2)cc1OC(F)F ZINC000865927908 1329752408 /nfs/dbraw/zinc/75/24/08/1329752408.db2.gz KRHWTNLKGBNHTR-LLVKDONJSA-N 0 0 333.310 3.042 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C(F)F)CC2)c(C(F)(F)F)c1 ZINC000866064844 1330061750 /nfs/dbraw/zinc/06/17/50/1330061750.db2.gz ZJAUVZGMUGCLED-LLVKDONJSA-N 0 0 340.248 3.474 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000866145366 1330070655 /nfs/dbraw/zinc/07/06/55/1330070655.db2.gz KEGPCTZABDSGLQ-CQSZACIVSA-N 0 0 335.360 3.431 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000866145365 1330070665 /nfs/dbraw/zinc/07/06/65/1330070665.db2.gz KEGPCTZABDSGLQ-AWEZNQCLSA-N 0 0 335.360 3.431 10 5 EGBERN O=[N+]([O-])c1c(NCCSCCC(F)(F)F)nc2sccn21 ZINC000866185324 1330075182 /nfs/dbraw/zinc/07/51/82/1330075182.db2.gz PJAXFRHSKODATL-UHFFFAOYSA-N 0 0 340.352 3.402 10 5 EGBERN COc1ccccc1[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000866234956 1330082388 /nfs/dbraw/zinc/08/23/88/1330082388.db2.gz ZPGSNLBTNAVWGO-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)nc1 ZINC000866246473 1330084898 /nfs/dbraw/zinc/08/48/98/1330084898.db2.gz BHPFFBUZCWJODK-KGLIPLIRSA-N 0 0 334.763 3.370 10 5 EGBERN COc1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1[N+](=O)[O-] ZINC000866248482 1330085127 /nfs/dbraw/zinc/08/51/27/1330085127.db2.gz CVHACQFCUQJPJQ-SUMWQHHRSA-N 0 0 332.331 3.165 10 5 EGBERN COc1ccccc1[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000866272031 1330088595 /nfs/dbraw/zinc/08/85/95/1330088595.db2.gz IPCUUULPSVCGBI-ZDUSSCGKSA-N 0 0 330.388 3.111 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOc2cc(N)ccc2C1 ZINC000866690038 1330141406 /nfs/dbraw/zinc/14/14/06/1330141406.db2.gz ULVSOFIYHPASGV-ZDUSSCGKSA-N 0 0 327.384 3.441 10 5 EGBERN O=C(C1CC2(CSC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000867107127 1330175789 /nfs/dbraw/zinc/17/57/89/1330175789.db2.gz JIERIOMWOGMDAV-UHFFFAOYSA-N 0 0 332.425 3.229 10 5 EGBERN C[C@H](NS(=O)(=O)C1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000867316300 1330193615 /nfs/dbraw/zinc/19/36/15/1330193615.db2.gz IHNONAWBYJHPAA-AVERBVTBSA-N 0 0 326.418 3.154 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000867995995 1330238720 /nfs/dbraw/zinc/23/87/20/1330238720.db2.gz MMQXEUZMCOAXCC-UHFFFAOYSA-N 0 0 325.368 3.191 10 5 EGBERN CCOc1ccccc1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868128108 1330252729 /nfs/dbraw/zinc/25/27/29/1330252729.db2.gz KGCOLWIAULTCOI-UHFFFAOYSA-N 0 0 343.383 3.301 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000869053141 1330403142 /nfs/dbraw/zinc/40/31/42/1330403142.db2.gz ISVWRJIZXXVCLM-QGZVFWFLSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000869053622 1330403478 /nfs/dbraw/zinc/40/34/78/1330403478.db2.gz PIRMMUSLQLQGIY-INIZCTEOSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000869053756 1330404025 /nfs/dbraw/zinc/40/40/25/1330404025.db2.gz SLQVSQPHYWFAIM-UHFFFAOYSA-N 0 0 349.431 3.250 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000869055113 1330404688 /nfs/dbraw/zinc/40/46/88/1330404688.db2.gz QMFZQDOUJZTWKO-JKSUJKDBSA-N 0 0 347.415 3.004 10 5 EGBERN COc1ccccc1C1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000869072506 1330409060 /nfs/dbraw/zinc/40/90/60/1330409060.db2.gz LJFZUTSEYYYCDL-UHFFFAOYSA-N 0 0 344.342 3.091 10 5 EGBERN COc1cc(COC(=O)C2(C(F)F)CCC2)c([N+](=O)[O-])cc1F ZINC000869708314 1330549644 /nfs/dbraw/zinc/54/96/44/1330549644.db2.gz UCCSRMMIWCMYOZ-UHFFFAOYSA-N 0 0 333.262 3.221 10 5 EGBERN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@]12CCC[C@H]1OCC2 ZINC000869717310 1330552465 /nfs/dbraw/zinc/55/24/65/1330552465.db2.gz VMYRUTWMSQNWMQ-HIFRSBDPSA-N 0 0 325.748 3.251 10 5 EGBERN Cc1ccc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1 ZINC000869810989 1330569051 /nfs/dbraw/zinc/56/90/51/1330569051.db2.gz MGXMKTAMLSNSEE-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN C[C@H]1CCn2cc(C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])nc2C1 ZINC000869856837 1330577445 /nfs/dbraw/zinc/57/74/45/1330577445.db2.gz QANCNJRBUOXXSM-JTQLQIEISA-N 0 0 349.774 3.384 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](c2ncccn2)C1 ZINC000952995787 1334633458 /nfs/dbraw/zinc/63/34/58/1334633458.db2.gz YSZYJVDAGQMPSK-JTQLQIEISA-N 0 0 338.289 3.398 10 5 EGBERN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C)n1 ZINC001323149122 1387302997 /nfs/dbraw/zinc/30/29/97/1387302997.db2.gz HQGBFTKARMCEKC-UHFFFAOYSA-N 0 0 340.383 3.225 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@H]2C[C@]2(C)Br)c([N+](=O)[O-])c1 ZINC001353347702 1391993435 /nfs/dbraw/zinc/99/34/35/1391993435.db2.gz MBPXPYFKLSPKEQ-RNCFNFMXSA-N 0 0 328.162 3.291 10 5 EGBERN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC001323922979 1387497644 /nfs/dbraw/zinc/49/76/44/1387497644.db2.gz SQIBXDUGMONPDV-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CC[C@@H](Nc1nc(Cl)nc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC001185827073 1387809485 /nfs/dbraw/zinc/80/94/85/1387809485.db2.gz FKCSFHOSNBAHDZ-SECBINFHSA-N 0 0 348.750 3.183 10 5 EGBERN COC(=O)c1cc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])ncn1 ZINC001186325611 1387922139 /nfs/dbraw/zinc/92/21/39/1387922139.db2.gz OPSJJXJWOLGQLY-UHFFFAOYSA-N 0 0 344.110 3.271 10 5 EGBERN CN(C)c1ccc(COC(=O)CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001325324932 1387934521 /nfs/dbraw/zinc/93/45/21/1387934521.db2.gz BYGTYQVGINUKLL-UHFFFAOYSA-N 0 0 346.305 3.437 10 5 EGBERN C[C@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135114 1368752319 /nfs/dbraw/zinc/75/23/19/1368752319.db2.gz GSSKYMVENXFEBN-ZBEGNZNMSA-N 0 0 349.337 3.361 10 5 EGBERN CC(=O)c1ccc(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001197766632 1368891675 /nfs/dbraw/zinc/89/16/75/1368891675.db2.gz SRJONHGLBARHMQ-UHFFFAOYSA-N 0 0 327.340 3.428 10 5 EGBERN CO[C@H]1COCC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186550559 1387969935 /nfs/dbraw/zinc/96/99/35/1387969935.db2.gz QXBVEYNRIGXJID-KCJUWKMLSA-N 0 0 335.187 3.365 10 5 EGBERN CNC(=O)N(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001187470783 1388113887 /nfs/dbraw/zinc/11/38/87/1388113887.db2.gz RMUATWOQUWCPOX-UHFFFAOYSA-N 0 0 345.315 3.022 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@@H](F)C1 ZINC001118157913 1371139531 /nfs/dbraw/zinc/13/95/31/1371139531.db2.gz BDWRUJJFAVYWSW-VXGBXAGGSA-N 0 0 349.318 3.216 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001118301658 1371160679 /nfs/dbraw/zinc/16/06/79/1371160679.db2.gz JZEVOMIGPMZSHA-KGLIPLIRSA-N 0 0 329.759 3.071 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001118301659 1371160916 /nfs/dbraw/zinc/16/09/16/1371160916.db2.gz JZEVOMIGPMZSHA-UONOGXRCSA-N 0 0 329.759 3.071 10 5 EGBERN CO[C@@H](COC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCCCC1 ZINC001118400146 1371174833 /nfs/dbraw/zinc/17/48/33/1371174833.db2.gz XNSYHEQMTYUTGL-LBPRGKRZSA-N 0 0 339.392 3.193 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc([C@H]3CCCCO3)o2)ccc1OC(F)F ZINC001118434473 1371181853 /nfs/dbraw/zinc/18/18/53/1371181853.db2.gz GWFTUQOLJHKBEP-LLVKDONJSA-N 0 0 341.270 3.488 10 5 EGBERN CC(C)(CO)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001118850869 1371239877 /nfs/dbraw/zinc/23/98/77/1371239877.db2.gz UEUXRVALSUXPGA-UHFFFAOYSA-N 0 0 330.384 3.277 10 5 EGBERN CN(C)[C@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(F)(F)F ZINC001187559976 1388126245 /nfs/dbraw/zinc/12/62/45/1388126245.db2.gz VLQDAYQTOJYUPO-CYBMUJFWSA-N 0 0 346.353 3.163 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001187586474 1388127937 /nfs/dbraw/zinc/12/79/37/1388127937.db2.gz NYKZABRJMHYISU-SUMWQHHRSA-N 0 0 339.326 3.449 10 5 EGBERN Cc1nc(-c2ccccc2)sc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001187600380 1388129148 /nfs/dbraw/zinc/12/91/48/1388129148.db2.gz RDTQFKYYPVNSHQ-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C(F)(F)F ZINC001119660312 1371383772 /nfs/dbraw/zinc/38/37/72/1371383772.db2.gz PMXINVGZCNCBHE-RNFRBKRXSA-N 0 0 340.660 3.202 10 5 EGBERN CCOc1cccnc1N1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001187625533 1388133003 /nfs/dbraw/zinc/13/30/03/1388133003.db2.gz ZTLZWJKWTVNICH-UHFFFAOYSA-N 0 0 342.399 3.024 10 5 EGBERN CC1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001187799659 1388165384 /nfs/dbraw/zinc/16/53/84/1388165384.db2.gz UZYTXDVRIRXKEG-UHFFFAOYSA-N 0 0 341.795 3.379 10 5 EGBERN Cn1c2ccccc2c(NC[C@H]2CCCC(C)(C)O2)c([N+](=O)[O-])c1=O ZINC001187815858 1388169195 /nfs/dbraw/zinc/16/91/95/1388169195.db2.gz BAAJPXHVGZYGNQ-GFCCVEGCSA-N 0 0 345.399 3.206 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ncc(Br)cn1 ZINC001187816801 1388169524 /nfs/dbraw/zinc/16/95/24/1388169524.db2.gz ZTGDCHSUVBMAGN-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc([N+](=O)[O-])nc3)CCC[C@@H]12 ZINC001187881454 1388183526 /nfs/dbraw/zinc/18/35/26/1388183526.db2.gz ZVCDVAXRJABECU-CXAGYDPISA-N 0 0 348.403 3.334 10 5 EGBERN Cc1cnc(C(=O)O[C@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])cc1C ZINC001123132396 1372386076 /nfs/dbraw/zinc/38/60/76/1372386076.db2.gz IZRUTRYWNWAKOW-WBMJQRKESA-N 0 0 332.331 3.401 10 5 EGBERN CC1(C)C2CCC1(C(=O)N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CC2 ZINC001123730865 1372571341 /nfs/dbraw/zinc/57/13/41/1372571341.db2.gz BSAHIWPYPNIYDL-UHFFFAOYSA-N 0 0 346.431 3.171 10 5 EGBERN CCc1ccc(C(=O)N[C@H](CCOC)c2cccnc2)cc1[N+](=O)[O-] ZINC001123889626 1372618675 /nfs/dbraw/zinc/61/86/75/1372618675.db2.gz NGIYXMCTTXEREZ-MRXNPFEDSA-N 0 0 343.383 3.060 10 5 EGBERN Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001124331498 1372692629 /nfs/dbraw/zinc/69/26/29/1372692629.db2.gz GEWWEAUGTDFPKK-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN COc1ccc(OC(C)(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001124341040 1372693496 /nfs/dbraw/zinc/69/34/96/1372693496.db2.gz YUBZFUOUKWCTRE-UHFFFAOYSA-N 0 0 330.340 3.400 10 5 EGBERN O=C(NC1CCCCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001124378624 1372696563 /nfs/dbraw/zinc/69/65/63/1372696563.db2.gz PSTNNMFHJHTXQA-UHFFFAOYSA-N 0 0 343.387 3.018 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N(C)C)c(Cl)c1 ZINC001124394051 1372698283 /nfs/dbraw/zinc/69/82/83/1372698283.db2.gz QIAUEENBDRPETO-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001124397227 1372698427 /nfs/dbraw/zinc/69/84/27/1372698427.db2.gz YDLBSVSOHWRNND-INIZCTEOSA-N 0 0 330.340 3.238 10 5 EGBERN CS(C)(=O)=Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001124406798 1372698886 /nfs/dbraw/zinc/69/88/86/1372698886.db2.gz ZDXLOUSQMIJMPS-UHFFFAOYSA-N 0 0 333.369 3.206 10 5 EGBERN CCNC(=O)c1cccc(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124535069 1372709935 /nfs/dbraw/zinc/70/99/35/1372709935.db2.gz BEAIIDUCSSUDTB-UHFFFAOYSA-N 0 0 342.351 3.181 10 5 EGBERN CC(C)CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC001124797369 1372732029 /nfs/dbraw/zinc/73/20/29/1372732029.db2.gz ZUXYAVHGGORQPW-QGZVFWFLSA-N 0 0 345.399 3.125 10 5 EGBERN CCCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001124873788 1372736837 /nfs/dbraw/zinc/73/68/37/1372736837.db2.gz QNTAMKWEBOKXKP-UHFFFAOYSA-N 0 0 335.310 3.320 10 5 EGBERN COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001125298434 1372768107 /nfs/dbraw/zinc/76/81/07/1372768107.db2.gz RSDOVQFURXGTHJ-UHFFFAOYSA-N 0 0 343.383 3.012 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccnc(-c2ccccc2)n1 ZINC001125419211 1372784356 /nfs/dbraw/zinc/78/43/56/1372784356.db2.gz SKGUYNGQFKVKBB-UHFFFAOYSA-N 0 0 335.319 3.409 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(CCC(C)C)cc1 ZINC001125579497 1372811746 /nfs/dbraw/zinc/81/17/46/1372811746.db2.gz QZJSNFBOGAQTIU-UHFFFAOYSA-N 0 0 330.388 3.327 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(F)cc2C(N)=O)c1C ZINC001126216852 1372950001 /nfs/dbraw/zinc/95/00/01/1372950001.db2.gz OHOAZKCHQLSIOX-UHFFFAOYSA-N 0 0 345.330 3.010 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1(C)C ZINC001126450148 1372966652 /nfs/dbraw/zinc/96/66/52/1372966652.db2.gz BSQYTSHQHJGSFV-LSDHHAIUSA-N 0 0 334.416 3.487 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2nccn2c1 ZINC001126532331 1372972723 /nfs/dbraw/zinc/97/27/23/1372972723.db2.gz LPZGQTXDRKMVPC-ZDUSSCGKSA-N 0 0 338.367 3.350 10 5 EGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001126711400 1373004013 /nfs/dbraw/zinc/00/40/13/1373004013.db2.gz NTHSJBLWDMXYSM-SNVBAGLBSA-N 0 0 348.380 3.088 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)n1 ZINC001126871242 1373044394 /nfs/dbraw/zinc/04/43/94/1373044394.db2.gz ASRNPDXHISKFGQ-LBPRGKRZSA-N 0 0 331.294 3.149 10 5 EGBERN COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001126904669 1373049480 /nfs/dbraw/zinc/04/94/80/1373049480.db2.gz SPYHYCIXKIFXPH-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CO2 ZINC001127032474 1373073098 /nfs/dbraw/zinc/07/30/98/1373073098.db2.gz STXHTUTYTFNLMW-CYBMUJFWSA-N 0 0 330.315 3.214 10 5 EGBERN CCCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001127057670 1373077625 /nfs/dbraw/zinc/07/76/25/1373077625.db2.gz IXCKAMKUBMXEBY-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN COc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)CCC2 ZINC001127611729 1373148086 /nfs/dbraw/zinc/14/80/86/1373148086.db2.gz NUMIGGWUXWLERG-MRXNPFEDSA-N 0 0 341.367 3.114 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C ZINC001127682158 1373159676 /nfs/dbraw/zinc/15/96/76/1373159676.db2.gz YOACAJQGSYULRT-WQGACYEGSA-N 0 0 344.371 3.157 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001128216854 1373236218 /nfs/dbraw/zinc/23/62/18/1373236218.db2.gz JVUQYWDKIZMMRE-UHFFFAOYSA-N 0 0 343.170 3.206 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC)[C@H]2C)cc1OC ZINC001128278798 1373244816 /nfs/dbraw/zinc/24/48/16/1373244816.db2.gz BRBNGIAEVSSBFB-VXGBXAGGSA-N 0 0 336.388 3.263 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ncc2c(F)cccn21 ZINC001128305692 1373250066 /nfs/dbraw/zinc/25/00/66/1373250066.db2.gz YQPVBUYUPHTXJE-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN COc1ccccc1C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001128600108 1373296830 /nfs/dbraw/zinc/29/68/30/1373296830.db2.gz YMEPVMRKZJPRBW-AWEZNQCLSA-N 0 0 342.395 3.283 10 5 EGBERN CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCC(C)(C)C1 ZINC001128694154 1373303479 /nfs/dbraw/zinc/30/34/79/1373303479.db2.gz WIJOPABHIJAUKZ-MLGOLLRUSA-N 0 0 345.399 3.125 10 5 EGBERN O=C(Cc1cnn2ccccc12)Nc1cccc([N+](=O)[O-])c1Cl ZINC001128847426 1373316040 /nfs/dbraw/zinc/31/60/40/1373316040.db2.gz MQHHRKNXYLQJSE-UHFFFAOYSA-N 0 0 330.731 3.077 10 5 EGBERN CS(C)(=O)=Nc1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001128942559 1373326523 /nfs/dbraw/zinc/32/65/23/1373326523.db2.gz NXKOXERMOQGHSM-UHFFFAOYSA-N 0 0 347.396 3.135 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129214273 1373362153 /nfs/dbraw/zinc/36/21/53/1373362153.db2.gz HLUISOIKVXDRHK-UHFFFAOYSA-N 0 0 345.286 3.153 10 5 EGBERN Cc1ccc(COC(=O)c2ccncc2N2CCCC2)cc1[N+](=O)[O-] ZINC001129247605 1373364790 /nfs/dbraw/zinc/36/47/90/1373364790.db2.gz NOCYQCRDZMUZOA-UHFFFAOYSA-N 0 0 341.367 3.255 10 5 EGBERN COCc1ncc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001129308593 1373370580 /nfs/dbraw/zinc/37/05/80/1373370580.db2.gz GLPIITRVTQFKLX-UHFFFAOYSA-N 0 0 342.760 3.208 10 5 EGBERN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001129499533 1373391103 /nfs/dbraw/zinc/39/11/03/1373391103.db2.gz VAETUZAHLSPWGX-PIGZYNQJSA-N 0 0 337.395 3.499 10 5 EGBERN CC1(C)CCC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC001129518738 1373393438 /nfs/dbraw/zinc/39/34/38/1373393438.db2.gz COXANDQFHYRUMJ-GFCCVEGCSA-N 0 0 335.356 3.492 10 5 EGBERN Cc1ccc2c(c1F)N(C(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001129527538 1373394972 /nfs/dbraw/zinc/39/49/72/1373394972.db2.gz MDXMBHFPIUNQED-UHFFFAOYSA-N 0 0 344.342 3.401 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001129816253 1373425799 /nfs/dbraw/zinc/42/57/99/1373425799.db2.gz NEQUFOXMUWMENT-VIFPVBQESA-N 0 0 334.353 3.185 10 5 EGBERN Cc1nocc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC001130575160 1373564074 /nfs/dbraw/zinc/56/40/74/1373564074.db2.gz KRHAJZKMVPWFDE-UHFFFAOYSA-N 0 0 344.371 3.380 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)CCOC2 ZINC001130758542 1373588152 /nfs/dbraw/zinc/58/81/52/1373588152.db2.gz CVOHCJQWTOBCOK-UHFFFAOYSA-N 0 0 349.346 3.468 10 5 EGBERN COc1ccc(N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001130770628 1373589481 /nfs/dbraw/zinc/58/94/81/1373589481.db2.gz IANUCJKXQLQWRF-UHFFFAOYSA-N 0 0 330.340 3.035 10 5 EGBERN Cn1cnc2cc(C(=O)Nc3nccc4cc([N+](=O)[O-])ccc43)ccc21 ZINC001130954680 1373614666 /nfs/dbraw/zinc/61/46/66/1373614666.db2.gz HMHODQVFFCKPTL-UHFFFAOYSA-N 0 0 347.334 3.282 10 5 EGBERN CC(C)n1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001130956738 1373615818 /nfs/dbraw/zinc/61/58/18/1373615818.db2.gz FNMDAVNHZONHGP-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN O=C(NCc1cnccc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001131277588 1373674016 /nfs/dbraw/zinc/67/40/16/1373674016.db2.gz IOMNRKRWJUQNTR-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(F)c2F)c1 ZINC001131429248 1373696461 /nfs/dbraw/zinc/69/64/61/1373696461.db2.gz WYMZWEZEPFPSCW-UHFFFAOYSA-N 0 0 325.296 3.242 10 5 EGBERN Cc1noc(CSc2nnc(-c3ccccc3F)n2C)c1[N+](=O)[O-] ZINC001188301178 1388286348 /nfs/dbraw/zinc/28/63/48/1388286348.db2.gz WRGFALCQMFUIDX-UHFFFAOYSA-N 0 0 349.347 3.118 10 5 EGBERN Cn1c(SCc2ccc(F)cc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC001188301132 1388286663 /nfs/dbraw/zinc/28/66/63/1388286663.db2.gz UXBCLJCURJAXDW-UHFFFAOYSA-N 0 0 345.359 3.217 10 5 EGBERN CC(C)c1coc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001132180646 1375191726 /nfs/dbraw/zinc/19/17/26/1375191726.db2.gz OBJQXUIRDCNJKK-UHFFFAOYSA-N 0 0 347.327 3.120 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001132962726 1375676614 /nfs/dbraw/zinc/67/66/14/1375676614.db2.gz HXRJQGLZXLEQML-UONOGXRCSA-N 0 0 327.340 3.049 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1C=CCC1 ZINC001133114270 1375784024 /nfs/dbraw/zinc/78/40/24/1375784024.db2.gz ZZXQYAOBCPIJPN-OAHLLOKOSA-N 0 0 332.403 3.237 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC001133153071 1375810581 /nfs/dbraw/zinc/81/05/81/1375810581.db2.gz UHCDOTZQNXNLFK-UHFFFAOYSA-N 0 0 343.817 3.113 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001133202884 1375837233 /nfs/dbraw/zinc/83/72/33/1375837233.db2.gz OMVJEZQJYMOBTL-AEGPPILISA-N 0 0 340.383 3.089 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001133291353 1375901207 /nfs/dbraw/zinc/90/12/07/1375901207.db2.gz OCCWZWQARPMZPO-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1cc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)ccc1[N+](=O)[O-] ZINC001133476379 1376030102 /nfs/dbraw/zinc/03/01/02/1376030102.db2.gz WKMLQAZGXXAVRF-CJNGLKHVSA-N 0 0 330.315 3.105 10 5 EGBERN C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001133479575 1376033592 /nfs/dbraw/zinc/03/35/92/1376033592.db2.gz GFZSEGYJTGOPAM-YKWSONSWSA-N 0 0 348.362 3.429 10 5 EGBERN Cc1nn(Cc2cc3ccccc3oc2=O)c2ccc([N+](=O)[O-])cc12 ZINC001188980296 1388425652 /nfs/dbraw/zinc/42/56/52/1388425652.db2.gz XTAPLIAIYGUMAU-UHFFFAOYSA-N 0 0 335.319 3.408 10 5 EGBERN C[C@@H]1COC[C@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001133934431 1376271093 /nfs/dbraw/zinc/27/10/93/1376271093.db2.gz KUSKOOSPLGUNSJ-MLGOLLRUSA-N 0 0 341.367 3.103 10 5 EGBERN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001134271668 1376447836 /nfs/dbraw/zinc/44/78/36/1376447836.db2.gz ZPNISVDCUHLJLX-CHWSQXEVSA-N 0 0 346.358 3.421 10 5 EGBERN Cc1c(C(=O)NC2(C)C(C)(C)C2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001134573594 1376603308 /nfs/dbraw/zinc/60/33/08/1376603308.db2.gz YYFQTPHXUBAOOC-UHFFFAOYSA-N 0 0 335.360 3.366 10 5 EGBERN Cn1nc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC001134891256 1376770256 /nfs/dbraw/zinc/77/02/56/1376770256.db2.gz NWTCUSBLJBGYQC-UHFFFAOYSA-N 0 0 349.350 3.144 10 5 EGBERN Cc1cc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc([N+](=O)[O-])c1 ZINC001134959253 1376811095 /nfs/dbraw/zinc/81/10/95/1376811095.db2.gz BUNFZZSUUUDBKQ-GOSISDBHSA-N 0 0 340.335 3.014 10 5 EGBERN Cc1cc(NC(=O)c2ncsc2Br)cc([N+](=O)[O-])c1 ZINC001134962790 1376812980 /nfs/dbraw/zinc/81/29/80/1376812980.db2.gz HAGLQSHHKFJUKS-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CC(=O)N[C@@](C)(C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(C)C ZINC001135226467 1376987280 /nfs/dbraw/zinc/98/72/80/1376987280.db2.gz PSOBWJHUACBXDZ-GOSISDBHSA-N 0 0 343.383 3.237 10 5 EGBERN Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(Cl)n1 ZINC001135234367 1376990705 /nfs/dbraw/zinc/99/07/05/1376990705.db2.gz LBNVSMFIQBKHQB-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2C)no1 ZINC001135253429 1377003904 /nfs/dbraw/zinc/00/39/04/1377003904.db2.gz SZFFAZSZEMFFMC-AWEZNQCLSA-N 0 0 333.319 3.316 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC001135495260 1377118265 /nfs/dbraw/zinc/11/82/65/1377118265.db2.gz VODMSIIPENBVHG-FVMDXXJSSA-N 0 0 328.372 3.239 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001265724257 1377164108 /nfs/dbraw/zinc/16/41/08/1377164108.db2.gz IPSPYVYOBMERAJ-RISCZKNCSA-N 0 0 348.399 3.311 10 5 EGBERN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136040879 1377309998 /nfs/dbraw/zinc/30/99/98/1377309998.db2.gz GWBXJPWTXLRWJX-KRWDZBQOSA-N 0 0 342.399 3.273 10 5 EGBERN Cc1ccc(NC(=O)Cc2cc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC001136102912 1377344456 /nfs/dbraw/zinc/34/44/56/1377344456.db2.gz LCRXYAQTDOTKPX-UHFFFAOYSA-N 0 0 337.335 3.338 10 5 EGBERN O=C(c1oc2ccccc2c1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001136133824 1377357275 /nfs/dbraw/zinc/35/72/75/1377357275.db2.gz SJFGUFNUKZTSBB-UHFFFAOYSA-N 0 0 338.319 3.036 10 5 EGBERN O=C(N[C@H]1CCc2c1cccc2Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136386453 1377386046 /nfs/dbraw/zinc/38/60/46/1377386046.db2.gz FTBBXGNRCMDVOK-JKSUJKDBSA-N 0 0 346.770 3.085 10 5 EGBERN CC(F)(F)C(C)(C)c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001327325667 1388496761 /nfs/dbraw/zinc/49/67/61/1388496761.db2.gz LJLHDGPGBFRWPM-UHFFFAOYSA-N 0 0 327.287 3.490 10 5 EGBERN O=C(N[C@H]1CC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001137869621 1377633780 /nfs/dbraw/zinc/63/37/80/1377633780.db2.gz CGVTWGLTJVSIFU-LBPRGKRZSA-N 0 0 330.727 3.306 10 5 EGBERN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001138084503 1377674712 /nfs/dbraw/zinc/67/47/12/1377674712.db2.gz CJYKNZCQWQJYKL-MEDUHNTESA-N 0 0 340.383 3.016 10 5 EGBERN O=C(NCc1cccc2cc[nH]c21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138251670 1377694154 /nfs/dbraw/zinc/69/41/54/1377694154.db2.gz IVORDXDJSKFSGA-IRXDYDNUSA-N 0 0 335.363 3.496 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001139547289 1377902743 /nfs/dbraw/zinc/90/27/43/1377902743.db2.gz ZSHSEBXKOYZJEG-ZYHUDNBSSA-N 0 0 348.790 3.298 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)ccc1F ZINC001141439699 1378325761 /nfs/dbraw/zinc/32/57/61/1378325761.db2.gz KTWCVLPTDPYOTE-UHFFFAOYSA-N 0 0 343.358 3.340 10 5 EGBERN CNc1c(C(=O)Nc2ccc3oc(CO)cc3c2)cccc1[N+](=O)[O-] ZINC001141466512 1378329994 /nfs/dbraw/zinc/32/99/94/1378329994.db2.gz URMJZLVDHVCWPQ-UHFFFAOYSA-N 0 0 341.323 3.127 10 5 EGBERN CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H](C)c1ccc(F)cc1 ZINC001141913350 1378393673 /nfs/dbraw/zinc/39/36/73/1378393673.db2.gz HKMIVAYKFBQMER-QMMMGPOBSA-N 0 0 340.742 3.334 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001141959329 1378398776 /nfs/dbraw/zinc/39/87/76/1378398776.db2.gz SMAFLEYQARNTEY-INIZCTEOSA-N 0 0 329.331 3.293 10 5 EGBERN CC(=O)c1csc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001143376932 1378588728 /nfs/dbraw/zinc/58/87/28/1378588728.db2.gz NMXGBVJKZLKGOQ-UHFFFAOYSA-N 0 0 340.307 3.067 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)s1 ZINC001146933626 1378944854 /nfs/dbraw/zinc/94/48/54/1378944854.db2.gz IRKAAYIZTGFXRO-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN Cc1c(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cccc1C(F)(F)F ZINC001149378725 1379373910 /nfs/dbraw/zinc/37/39/10/1379373910.db2.gz WZTWOWXLGZDEBM-UHFFFAOYSA-N 0 0 340.261 3.152 10 5 EGBERN CCc1ncsc1NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001151382481 1379709236 /nfs/dbraw/zinc/70/92/36/1379709236.db2.gz KWVMDZOLMGMOBJ-UHFFFAOYSA-N 0 0 327.312 3.453 10 5 EGBERN Cc1ccc(CNC(=O)c2cnn3cccc(Cl)c23)cc1[N+](=O)[O-] ZINC001152094275 1379861909 /nfs/dbraw/zinc/86/19/09/1379861909.db2.gz HUNLBGHLXRTWQF-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CC1(C)CC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001152651003 1379963183 /nfs/dbraw/zinc/96/31/83/1379963183.db2.gz FPKKGMDNMSPDIK-OAHLLOKOSA-N 0 0 334.416 3.349 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(O)c1C ZINC001153597314 1380100577 /nfs/dbraw/zinc/10/05/77/1380100577.db2.gz ABKLQDBQVMJNLM-UHFFFAOYSA-N 0 0 331.284 3.078 10 5 EGBERN Cc1c(CNC(=O)C(C)(C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC001154300824 1380251139 /nfs/dbraw/zinc/25/11/39/1380251139.db2.gz CMRUHKWKSVHKGJ-UHFFFAOYSA-N 0 0 328.368 3.203 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC12CC2 ZINC001154844898 1380364066 /nfs/dbraw/zinc/36/40/66/1380364066.db2.gz DNFQNLXCGCZVJJ-ZDUSSCGKSA-N 0 0 342.399 3.100 10 5 EGBERN CC[C@@H]1CCCc2sc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)nc21 ZINC001158172904 1381148517 /nfs/dbraw/zinc/14/85/17/1381148517.db2.gz LLTYWUXSWOURPE-MRVPVSSYSA-N 0 0 348.384 3.234 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001287238162 1381152768 /nfs/dbraw/zinc/15/27/68/1381152768.db2.gz KWXRQEBIZTYOFM-AWEZNQCLSA-N 0 0 346.770 3.120 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(F)c1F ZINC001287415343 1381199380 /nfs/dbraw/zinc/19/93/80/1381199380.db2.gz ZBJKFRGHXAUTHO-UHFFFAOYSA-N 0 0 345.305 3.213 10 5 EGBERN CCOC(=O)c1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)sc1C ZINC001287567511 1381265304 /nfs/dbraw/zinc/26/53/04/1381265304.db2.gz HLZHSMGXRNRELM-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccc2[nH]ccc21 ZINC001288188398 1381662155 /nfs/dbraw/zinc/66/21/55/1381662155.db2.gz SJTDTWBPZALUBY-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1coc(C2CCCCC2)n1 ZINC001288216504 1381731797 /nfs/dbraw/zinc/73/17/97/1381731797.db2.gz WUGWQEUQQPFUBE-UHFFFAOYSA-N 0 0 346.343 3.286 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CSc2ccccc21 ZINC001159237595 1381740311 /nfs/dbraw/zinc/74/03/11/1381740311.db2.gz GNGSLMBGHGXFSJ-LBPRGKRZSA-N 0 0 346.383 3.282 10 5 EGBERN Cc1cc(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc([N+](=O)[O-])c1 ZINC001159512812 1381813618 /nfs/dbraw/zinc/81/36/18/1381813618.db2.gz NSWJGVGYFBCXBJ-CVEARBPZSA-N 0 0 340.335 3.146 10 5 EGBERN CCOC(=O)c1cnc(C)c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001159513676 1381813688 /nfs/dbraw/zinc/81/36/88/1381813688.db2.gz UBXMWBQPROCGGL-UHFFFAOYSA-N 0 0 343.339 3.036 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC001288750654 1381925504 /nfs/dbraw/zinc/92/55/04/1381925504.db2.gz WFBLKAJGBNJOPA-IAQYHMDHSA-N 0 0 344.342 3.477 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001288788022 1381939722 /nfs/dbraw/zinc/93/97/22/1381939722.db2.gz NJNNWNIPFABOLR-NSHDSACASA-N 0 0 329.312 3.302 10 5 EGBERN COc1cccc(C(=O)O[C@H](C)c2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC001289389529 1381997353 /nfs/dbraw/zinc/99/73/53/1381997353.db2.gz KIZCYEGFMCOKCG-LLVKDONJSA-N 0 0 343.335 3.456 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328479167 1388759258 /nfs/dbraw/zinc/75/92/58/1388759258.db2.gz FAPUECBZMLRAJK-ONOSFVFSSA-N 0 0 336.298 3.091 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001328481785 1388760326 /nfs/dbraw/zinc/76/03/26/1388760326.db2.gz XGYMMGBOIGOYOH-NAUIOFCNSA-N 0 0 342.367 3.379 10 5 EGBERN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001291979882 1382163986 /nfs/dbraw/zinc/16/39/86/1382163986.db2.gz DBNJDTVOZURPAG-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001328572133 1388777739 /nfs/dbraw/zinc/77/77/39/1388777739.db2.gz JWGPJYWHRGEVMM-IEBDPFPHSA-N 0 0 341.314 3.012 10 5 EGBERN Nc1ncc(C(=O)Nc2ccc3c(Cl)cccc3n2)cc1[N+](=O)[O-] ZINC001161293171 1382362520 /nfs/dbraw/zinc/36/25/20/1382362520.db2.gz OJXIPYNOGYTURH-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001161482475 1382420066 /nfs/dbraw/zinc/42/00/66/1382420066.db2.gz AVVOEYABAVRUCK-UHFFFAOYSA-N 0 0 336.731 3.353 10 5 EGBERN O=Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001294220025 1382427921 /nfs/dbraw/zinc/42/79/21/1382427921.db2.gz PIEZVYWGDNJZGA-UHFFFAOYSA-N 0 0 344.342 3.299 10 5 EGBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(F)s1 ZINC001161573685 1382443574 /nfs/dbraw/zinc/44/35/74/1382443574.db2.gz TXLMSPRCNOBMPD-UHFFFAOYSA-N 0 0 332.316 3.438 10 5 EGBERN CC(C)c1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001294471190 1382462091 /nfs/dbraw/zinc/46/20/91/1382462091.db2.gz BIXUFXYQROXTSA-UHFFFAOYSA-N 0 0 343.383 3.484 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@H]2COC[C@H]21 ZINC001161629566 1382464670 /nfs/dbraw/zinc/46/46/70/1382464670.db2.gz UOCHYJZODWXFDR-HYVNUMGLSA-N 0 0 346.427 3.047 10 5 EGBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C)c1O ZINC001294777518 1382498775 /nfs/dbraw/zinc/49/87/75/1382498775.db2.gz BAMMECPYHHSKPT-UHFFFAOYSA-N 0 0 345.311 3.386 10 5 EGBERN Cc1cnc(COC(=O)c2cccc3c2COCC3)c(C)c1[N+](=O)[O-] ZINC001328618641 1388789972 /nfs/dbraw/zinc/78/99/72/1388789972.db2.gz IRNFULWNFNDBKG-UHFFFAOYSA-N 0 0 342.351 3.036 10 5 EGBERN Cc1nc(Sc2nc(-c3ccc(F)cc3)c[nH]2)ncc1[N+](=O)[O-] ZINC001162015711 1382601655 /nfs/dbraw/zinc/60/16/55/1382601655.db2.gz POWJEJQCLWQRDT-UHFFFAOYSA-N 0 0 331.332 3.374 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCOCC2CC2)cc1C ZINC001162020610 1382604571 /nfs/dbraw/zinc/60/45/71/1382604571.db2.gz LHKOTHOMOQGVBL-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2COCc3ccccc32)c1F ZINC001162228534 1382661135 /nfs/dbraw/zinc/66/11/35/1382661135.db2.gz JMZRODVHLSMRBZ-LBPRGKRZSA-N 0 0 348.305 3.183 10 5 EGBERN COC(=O)c1ccnc(NCC2(c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC001162375424 1382742568 /nfs/dbraw/zinc/74/25/68/1382742568.db2.gz KUGMGGMHDJTRRZ-UHFFFAOYSA-N 0 0 341.367 3.229 10 5 EGBERN COC(=O)N1CCC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001162390617 1382745769 /nfs/dbraw/zinc/74/57/69/1382745769.db2.gz WNBOXFVALLGMFQ-SECBINFHSA-N 0 0 347.293 3.256 10 5 EGBERN COc1cc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1C ZINC001162584618 1382799393 /nfs/dbraw/zinc/79/93/93/1382799393.db2.gz KKOPLCVEBZRHGS-UHFFFAOYSA-N 0 0 326.356 3.443 10 5 EGBERN CC(C)Oc1nc(Oc2cccc(-n3cncn3)c2)ccc1[N+](=O)[O-] ZINC001162598494 1382803612 /nfs/dbraw/zinc/80/36/12/1382803612.db2.gz STSSWANJZGRFGE-UHFFFAOYSA-N 0 0 341.327 3.150 10 5 EGBERN O=C1C[C@@H](c2cccc(Nc3ccc4cnccc4c3[N+](=O)[O-])c2)CN1 ZINC001162868583 1382899827 /nfs/dbraw/zinc/89/98/27/1382899827.db2.gz WAXXVGLJKNQNFV-CQSZACIVSA-N 0 0 348.362 3.490 10 5 EGBERN O=C(Nc1nnc(C2CCC2)[nH]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001296090560 1382909593 /nfs/dbraw/zinc/90/95/93/1382909593.db2.gz GZSAHEVUWUYXTD-UHFFFAOYSA-N 0 0 341.371 3.041 10 5 EGBERN CCCCc1cc(Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)ncn1 ZINC001163006576 1382945778 /nfs/dbraw/zinc/94/57/78/1382945778.db2.gz VOSAXJFRNAKWAX-UHFFFAOYSA-N 0 0 331.328 3.306 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001163382407 1383036864 /nfs/dbraw/zinc/03/68/64/1383036864.db2.gz FLTAAMREMSLCQU-UHFFFAOYSA-N 0 0 346.770 3.342 10 5 EGBERN Cc1nc(NCCc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC001163459694 1383055954 /nfs/dbraw/zinc/05/59/54/1383055954.db2.gz MKJLVRMXQANMEJ-UHFFFAOYSA-N 0 0 337.177 3.110 10 5 EGBERN COC(=O)C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC001163728885 1383115267 /nfs/dbraw/zinc/11/52/67/1383115267.db2.gz PFUOSQSJMMSHAU-ZDUSSCGKSA-N 0 0 329.356 3.144 10 5 EGBERN CNc1cc(CNc2ccc([N+](=O)[O-])cc2Br)ccn1 ZINC001164190790 1383164699 /nfs/dbraw/zinc/16/46/99/1383164699.db2.gz MTZNLRFBDBTZKD-UHFFFAOYSA-N 0 0 337.177 3.406 10 5 EGBERN CCc1noc([C@@H]2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001164282412 1383174050 /nfs/dbraw/zinc/17/40/50/1383174050.db2.gz JEPYKSFBOUEGOP-SCZZXKLOSA-N 0 0 337.767 3.337 10 5 EGBERN Cc1nc2ccccn2c1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164317985 1383177383 /nfs/dbraw/zinc/17/73/83/1383177383.db2.gz JZQGPSYRBCVIGM-UHFFFAOYSA-N 0 0 334.339 3.106 10 5 EGBERN Cc1cccc(CCCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c1 ZINC001166039114 1383380500 /nfs/dbraw/zinc/38/05/00/1383380500.db2.gz MCPBWZGDKUJKKR-UHFFFAOYSA-N 0 0 339.351 3.353 10 5 EGBERN CN(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC001298376396 1383398179 /nfs/dbraw/zinc/39/81/79/1383398179.db2.gz RVRXNXKRVQZQOW-UHFFFAOYSA-N 0 0 339.355 3.418 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1Cn1c(=O)sc2c1cccc2F ZINC001166233973 1383405345 /nfs/dbraw/zinc/40/53/45/1383405345.db2.gz DYIGKGVBGKHCQS-UHFFFAOYSA-N 0 0 334.328 3.167 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001298686414 1383424094 /nfs/dbraw/zinc/42/40/94/1383424094.db2.gz LDRSFBLXQLXFGX-UHFFFAOYSA-N 0 0 349.749 3.168 10 5 EGBERN COc1cc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)ccn1 ZINC001166461254 1383424700 /nfs/dbraw/zinc/42/47/00/1383424700.db2.gz VUTZQRSJZRYFFF-UHFFFAOYSA-N 0 0 332.209 3.134 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(Cl)s1 ZINC001298826004 1383434783 /nfs/dbraw/zinc/43/47/83/1383434783.db2.gz ZBJSAJXPKDVOSN-UHFFFAOYSA-N 0 0 327.749 3.356 10 5 EGBERN Cc1cc(=O)n(CCOc2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001166753243 1383472033 /nfs/dbraw/zinc/47/20/33/1383472033.db2.gz CYFVPFZECBHUCZ-UHFFFAOYSA-N 0 0 342.273 3.163 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC(F)(F)CC1 ZINC001166911643 1383499089 /nfs/dbraw/zinc/49/90/89/1383499089.db2.gz MGURLNIKQKYNHC-UHFFFAOYSA-N 0 0 332.734 3.439 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S[C@H]1CCCS(=O)(=O)C1 ZINC001166944708 1383502980 /nfs/dbraw/zinc/50/29/80/1383502980.db2.gz GKFIRBIQNPWSLW-AAEUAGOBSA-N 0 0 329.443 3.275 10 5 EGBERN O=C(Nc1cc(Cl)c(O)c2ccccc12)c1cc([N+](=O)[O-])n[nH]1 ZINC001167444504 1383635802 /nfs/dbraw/zinc/63/58/02/1383635802.db2.gz HSFCUIFHDRJCEZ-UHFFFAOYSA-N 0 0 332.703 3.082 10 5 EGBERN C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC001167477989 1383646088 /nfs/dbraw/zinc/64/60/88/1383646088.db2.gz JMFDRKAHVOUJJU-GHMZBOCLSA-N 0 0 325.796 3.307 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1 ZINC001167623572 1383691499 /nfs/dbraw/zinc/69/14/99/1383691499.db2.gz VUTAYXXLRQFZPZ-UHFFFAOYSA-N 0 0 349.709 3.098 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC001301811272 1383730866 /nfs/dbraw/zinc/73/08/66/1383730866.db2.gz JZBRKSWVFOJCKW-UHFFFAOYSA-N 0 0 331.294 3.030 10 5 EGBERN Cc1ncccc1C=CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001303181051 1383786560 /nfs/dbraw/zinc/78/65/60/1383786560.db2.gz VCIXLTVEXFEHAE-BQYQJAHWSA-N 0 0 349.350 3.340 10 5 EGBERN CC(C)c1oncc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001303586214 1383808067 /nfs/dbraw/zinc/80/80/67/1383808067.db2.gz OYJVCMOCWSCQME-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001303656816 1383811775 /nfs/dbraw/zinc/81/17/75/1383811775.db2.gz IWNORSWOLCZOFC-LTVHRWTQSA-N 0 0 334.441 3.484 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001304220452 1383841140 /nfs/dbraw/zinc/84/11/40/1383841140.db2.gz VRZVXHGLUNCQMA-HOCLYGCPSA-N 0 0 332.375 3.314 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(CF)cc1 ZINC001306509838 1383894406 /nfs/dbraw/zinc/89/44/06/1383894406.db2.gz OAYUXMVWBDJQEG-UHFFFAOYSA-N 0 0 341.302 3.102 10 5 EGBERN Cc1ccc2c(c1)N(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC2 ZINC001306944996 1383924597 /nfs/dbraw/zinc/92/45/97/1383924597.db2.gz KNTAGMUSBMRXGP-UHFFFAOYSA-N 0 0 326.278 3.350 10 5 EGBERN CCC[C@H]1CN(c2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])CCO1 ZINC001307071268 1383936116 /nfs/dbraw/zinc/93/61/16/1383936116.db2.gz DNQXZMCXVQJQEI-ZDUSSCGKSA-N 0 0 336.388 3.085 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1ccc2c(c1)N(C)CC2 ZINC001307079719 1383937871 /nfs/dbraw/zinc/93/78/71/1383937871.db2.gz WVANNOOBUJOZJY-UHFFFAOYSA-N 0 0 341.367 3.426 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ncn(-c3ccccc3)n2)c2ccccc21 ZINC001307130986 1383943217 /nfs/dbraw/zinc/94/32/17/1383943217.db2.gz ZIUTVPYSVSUCOH-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN O=C1O[C@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001307151001 1383946457 /nfs/dbraw/zinc/94/64/57/1383946457.db2.gz GWZZVRJOZPNGEH-SNVBAGLBSA-N 0 0 345.277 3.009 10 5 EGBERN C[C@H](O)[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001307157124 1383947718 /nfs/dbraw/zinc/94/77/18/1383947718.db2.gz MLAGZTFKEYBQME-BJOHPYRUSA-N 0 0 330.319 3.144 10 5 EGBERN C[C@@H]1C[C@]2(CC[C@@H](CNc3ccc(Cl)cc3[N+](=O)[O-])O2)CO1 ZINC001307211406 1383957926 /nfs/dbraw/zinc/95/79/26/1383957926.db2.gz BPZVRVZGOPPUMV-IFUGULHKSA-N 0 0 326.780 3.387 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N[C@H](CO)c2cc(F)ccc2F)c(F)c1 ZINC001307231014 1383962146 /nfs/dbraw/zinc/96/21/46/1383962146.db2.gz DRBKPUAUWNAFOZ-CYBMUJFWSA-N 0 0 330.237 3.297 10 5 EGBERN Cc1noc(CSc2n[nH]c(C=Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC001307287356 1383966521 /nfs/dbraw/zinc/96/65/21/1383966521.db2.gz KCZVBXKERWKNAW-BQYQJAHWSA-N 0 0 343.368 3.472 10 5 EGBERN COc1ccc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1Cl ZINC001307310529 1383969883 /nfs/dbraw/zinc/96/98/83/1383969883.db2.gz UZHSSXQKGSMYCR-UHFFFAOYSA-N 0 0 332.747 3.358 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1CC2CCC1CC2 ZINC001307318358 1383971333 /nfs/dbraw/zinc/97/13/33/1383971333.db2.gz FANJKAUHTMNGGI-ILDUYXDCSA-N 0 0 341.205 3.345 10 5 EGBERN COC(=O)[C@@H]1CCCC[C@@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001307324912 1383971703 /nfs/dbraw/zinc/97/17/03/1383971703.db2.gz OVSFHMCXKIPMOK-RHSMWYFYSA-N 0 0 343.383 3.438 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001307406521 1383984117 /nfs/dbraw/zinc/98/41/17/1383984117.db2.gz BPEWQPKGNJWFQU-NOZJJQNGSA-N 0 0 344.770 3.461 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3cc(F)c(F)cc3C2)c1 ZINC001307874575 1384048646 /nfs/dbraw/zinc/04/86/46/1384048646.db2.gz FZBIHVLZOBFGHB-UHFFFAOYSA-N 0 0 348.305 3.175 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@]2(CO)c2ccccc2)c(F)c1 ZINC001308161417 1384103448 /nfs/dbraw/zinc/10/34/48/1384103448.db2.gz SJXQHNQELBHHJV-GOSISDBHSA-N 0 0 330.359 3.218 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC1CC2(CC2(F)F)C1 ZINC001328946391 1388906801 /nfs/dbraw/zinc/90/68/01/1388906801.db2.gz KSZORMKGFHFSDA-UHFFFAOYSA-N 0 0 348.309 3.452 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC(c3ccccc3)C2)c1F ZINC001171126295 1384450466 /nfs/dbraw/zinc/45/04/66/1384450466.db2.gz DSGBLMFNFQLDNY-UHFFFAOYSA-N 0 0 332.306 3.421 10 5 EGBERN C[C@H]1CCC[C@@H](C2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001174820259 1385155089 /nfs/dbraw/zinc/15/50/89/1385155089.db2.gz KEOXADPNVCKZTB-NWDGAFQWSA-N 0 0 342.399 3.369 10 5 EGBERN COC(=O)[C@](C)(NC[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001175139791 1385201338 /nfs/dbraw/zinc/20/13/38/1385201338.db2.gz HSNMPWBFNUQFAL-HBUWYVDXSA-N 0 0 334.416 3.399 10 5 EGBERN O=C(NCCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001177338918 1385918869 /nfs/dbraw/zinc/91/88/69/1385918869.db2.gz QICMGSRAMIFJIQ-UHFFFAOYSA-N 0 0 345.786 3.041 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(-c2ccc(C)cc2)n1 ZINC001319149411 1385980701 /nfs/dbraw/zinc/98/07/01/1385980701.db2.gz DGUVPTDIBUBEPS-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(N[C@H](c1ncon1)C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001178446313 1386220620 /nfs/dbraw/zinc/22/06/20/1386220620.db2.gz NZFSDNVSECMPCZ-ZDUSSCGKSA-N 0 0 344.352 3.074 10 5 EGBERN Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(N)c1[N+](=O)[O-] ZINC001179874665 1386614392 /nfs/dbraw/zinc/61/43/92/1386614392.db2.gz FILIDRQEFPFMMM-UHFFFAOYSA-N 0 0 328.303 3.358 10 5 EGBERN Cc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001321157177 1386825252 /nfs/dbraw/zinc/82/52/52/1386825252.db2.gz QCSKJRCXOMWFDI-UHFFFAOYSA-N 0 0 337.738 3.002 10 5 EGBERN CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC001322255370 1387122576 /nfs/dbraw/zinc/12/25/76/1387122576.db2.gz PZYVBCCKLLWHQL-UHFFFAOYSA-N 0 0 334.372 3.018 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSCc1cncc(C(F)(F)F)c1 ZINC001329687964 1389201837 /nfs/dbraw/zinc/20/18/37/1389201837.db2.gz FTUQEMGJTNZMEC-UHFFFAOYSA-N 0 0 346.334 3.447 10 5 EGBERN CC(C)[C@@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC001330023577 1389287718 /nfs/dbraw/zinc/28/77/18/1389287718.db2.gz IFVKQJVMQMSGIY-IBGZPJMESA-N 0 0 342.395 3.229 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001337698237 1389421350 /nfs/dbraw/zinc/42/13/50/1389421350.db2.gz JAIFCHXSIYPREX-CRAIPNDOSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330570947 1389458930 /nfs/dbraw/zinc/45/89/30/1389458930.db2.gz IJPITRYBGCWYKI-KBXCAEBGSA-N 0 0 342.395 3.026 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC3(CC3(F)F)C2)c1 ZINC001330940461 1389572041 /nfs/dbraw/zinc/57/20/41/1389572041.db2.gz NFOHTYOABMKPPV-UHFFFAOYSA-N 0 0 328.340 3.234 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001338446093 1389685722 /nfs/dbraw/zinc/68/57/22/1389685722.db2.gz TYHXCHVOLYBIRO-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332133283 1390001748 /nfs/dbraw/zinc/00/17/48/1390001748.db2.gz FJSGHTPEXLCIHR-GFCCVEGCSA-N 0 0 341.367 3.390 10 5 EGBERN Cc1cnc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001332905476 1390213843 /nfs/dbraw/zinc/21/38/43/1390213843.db2.gz JUWKDAKUGUOXOG-UHFFFAOYSA-N 0 0 342.399 3.341 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC001334176351 1390493485 /nfs/dbraw/zinc/49/34/85/1390493485.db2.gz JWBLUHJUUKBFAO-INIZCTEOSA-N 0 0 342.399 3.244 10 5 EGBERN C[C@@H](Cc1cnccn1)OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001344296685 1390779998 /nfs/dbraw/zinc/77/99/98/1390779998.db2.gz ZINDKIJUNSNARL-NSHDSACASA-N 0 0 349.774 3.145 10 5 EGBERN COc1nscc1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001344683549 1390808465 /nfs/dbraw/zinc/80/84/65/1390808465.db2.gz DIEHSGKDOQTJBC-UHFFFAOYSA-N 0 0 336.373 3.032 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001344839010 1390818402 /nfs/dbraw/zinc/81/84/02/1390818402.db2.gz LKVWGOZRISFMQG-NBOOPKSLSA-N 0 0 331.368 3.201 10 5 EGBERN C[C@]12COC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c3ccccc13)C2 ZINC001344854374 1390819517 /nfs/dbraw/zinc/81/95/17/1390819517.db2.gz NQOPHWPTUVRNBK-SGTLLEGYSA-N 0 0 341.367 3.248 10 5 EGBERN Nc1ccc(C(=O)Oc2ccc(C3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001345076916 1390835699 /nfs/dbraw/zinc/83/56/99/1390835699.db2.gz APGIGSORJIGAPD-UHFFFAOYSA-N 0 0 342.351 3.290 10 5 EGBERN COc1ccc(NC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])c1 ZINC001345094877 1390836728 /nfs/dbraw/zinc/83/67/28/1390836728.db2.gz AUJKLQYYXXDOFZ-UONOGXRCSA-N 0 0 345.758 3.430 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001345289852 1390853580 /nfs/dbraw/zinc/85/35/80/1390853580.db2.gz ADHMQQHHXNIWKO-DZGCQCFKSA-N 0 0 333.388 3.244 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001346129354 1390909780 /nfs/dbraw/zinc/90/97/80/1390909780.db2.gz PKMKOAONJNHEOC-XJKSGUPXSA-N 0 0 336.388 3.001 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001346191456 1390914432 /nfs/dbraw/zinc/91/44/32/1390914432.db2.gz UDAXYJBFPQQOCH-KBRIMQKVSA-N 0 0 347.415 3.399 10 5 EGBERN Cc1c(NC(=O)[C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001346230975 1390916928 /nfs/dbraw/zinc/91/69/28/1390916928.db2.gz SGXPYCBBWNJCGJ-OAHLLOKOSA-N 0 0 328.368 3.398 10 5 EGBERN CCOC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001347904754 1391144248 /nfs/dbraw/zinc/14/42/48/1391144248.db2.gz XJUMRQAKZKCDQA-UHFFFAOYSA-N 0 0 333.171 3.153 10 5 EGBERN COc1cccc(C(=O)OCCCc2scnc2C)c1[N+](=O)[O-] ZINC001348025303 1391162063 /nfs/dbraw/zinc/16/20/63/1391162063.db2.gz JRIDRCWGMCASRR-UHFFFAOYSA-N 0 0 336.369 3.158 10 5 EGBERN COCC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccnc1 ZINC001348066004 1391168178 /nfs/dbraw/zinc/16/81/78/1391168178.db2.gz YSGMPUABYFDYBP-CQSZACIVSA-N 0 0 349.774 3.151 10 5 EGBERN C[C@@H](c1nnc(N2CCC[C@H](C3CCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001348154970 1391180294 /nfs/dbraw/zinc/18/02/94/1391180294.db2.gz UJTOLOAFXDIMMW-WFASDCNBSA-N 0 0 333.436 3.042 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001348253614 1391192471 /nfs/dbraw/zinc/19/24/71/1391192471.db2.gz FYGYWMHULNUELL-UKRRQHHQSA-N 0 0 338.791 3.422 10 5 EGBERN Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC001348468249 1391223759 /nfs/dbraw/zinc/22/37/59/1391223759.db2.gz GKGFKIJLIYALML-UHFFFAOYSA-N 0 0 340.335 3.302 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1ccccn1Cc1ccccc1 ZINC001349090657 1391301734 /nfs/dbraw/zinc/30/17/34/1391301734.db2.gz ZTHNCMLFGFSUQS-UHFFFAOYSA-N 0 0 347.374 3.494 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001349607744 1391344603 /nfs/dbraw/zinc/34/46/03/1391344603.db2.gz JEIVKHALDLBFCO-CQSZACIVSA-N 0 0 349.774 3.374 10 5 EGBERN CCC[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349621314 1391345790 /nfs/dbraw/zinc/34/57/90/1391345790.db2.gz ZFQPOAMTKQOHAC-YJBOKZPZSA-N 0 0 345.443 3.460 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1COC[C@H]1c1ccccc1 ZINC001349887411 1391381179 /nfs/dbraw/zinc/38/11/79/1391381179.db2.gz XYHATMPKSRKANI-UONOGXRCSA-N 0 0 330.315 3.103 10 5 EGBERN Cc1c(NC(=O)[C@@]2(C)COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC001350397266 1391458489 /nfs/dbraw/zinc/45/84/89/1391458489.db2.gz QCYQRWKRWOYICD-QGZVFWFLSA-N 0 0 328.324 3.072 10 5 EGBERN CC1(C)OC(=O)c2c1cccc2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001350408827 1391459761 /nfs/dbraw/zinc/45/97/61/1391459761.db2.gz XITOPHNXEURUED-UHFFFAOYSA-N 0 0 326.308 3.253 10 5 EGBERN CC(C)(NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC001350584568 1391484303 /nfs/dbraw/zinc/48/43/03/1391484303.db2.gz ADWQPJKVJCXMQI-HNNXBMFYSA-N 0 0 332.400 3.438 10 5 EGBERN Cc1cccc(OCCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001350646605 1391498586 /nfs/dbraw/zinc/49/85/86/1391498586.db2.gz MCILDUFINKIATF-ROUUACIJSA-N 0 0 340.379 3.202 10 5 EGBERN O=C([C@@H](CCCO)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001351268297 1391618854 /nfs/dbraw/zinc/61/88/54/1391618854.db2.gz JLHXWQTYMJQFLW-HNNXBMFYSA-N 0 0 340.379 3.040 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC001351379855 1391634046 /nfs/dbraw/zinc/63/40/46/1391634046.db2.gz NERAPJVECNEPHN-AWEZNQCLSA-N 0 0 330.315 3.411 10 5 EGBERN CCCCC1CCC(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001351437791 1391639100 /nfs/dbraw/zinc/63/91/00/1391639100.db2.gz AMDICVWDOWRFTF-UHFFFAOYSA-N 0 0 336.436 3.213 10 5 EGBERN O=C(c1cccc2cc(=O)[nH]cc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351662646 1391666554 /nfs/dbraw/zinc/66/65/54/1391666554.db2.gz WONJUKFZTAHWAN-UHFFFAOYSA-N 0 0 335.319 3.052 10 5 EGBERN CN(C(=O)Cc1nsc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001351685258 1391669889 /nfs/dbraw/zinc/66/98/89/1391669889.db2.gz SKUPEGLKRVFPAZ-UHFFFAOYSA-N 0 0 327.365 3.410 10 5 EGBERN CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])c1nccs1 ZINC001351835202 1391698432 /nfs/dbraw/zinc/69/84/32/1391698432.db2.gz PTUBCCYJCIVHDU-UHFFFAOYSA-N 0 0 342.174 3.090 10 5 EGBERN O=C(/C=C\COc1ccccc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351887419 1391710944 /nfs/dbraw/zinc/71/09/44/1391710944.db2.gz KDJQBNFNTJXWHF-DAXSKMNVSA-N 0 0 334.278 3.447 10 5 EGBERN Cc1ccccc1COCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351887920 1391711000 /nfs/dbraw/zinc/71/10/00/1391711000.db2.gz PPMDSPVTXQJMLS-UHFFFAOYSA-N 0 0 336.294 3.337 10 5 EGBERN Cc1cc(C)c(OC(=O)c2scc3c2OCCO3)c([N+](=O)[O-])c1 ZINC001352039053 1391749679 /nfs/dbraw/zinc/74/96/79/1391749679.db2.gz GSMBVKNXIDOGNM-UHFFFAOYSA-N 0 0 335.337 3.264 10 5 EGBERN Cc1cccc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1C ZINC001352070598 1391755344 /nfs/dbraw/zinc/75/53/44/1391755344.db2.gz AIZNBGHRAMHRGX-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1F ZINC001352635497 1391827139 /nfs/dbraw/zinc/82/71/39/1391827139.db2.gz YLQVJUWJBCOYOI-UHFFFAOYSA-N 0 0 347.302 3.473 10 5 EGBERN COc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001352878006 1391869537 /nfs/dbraw/zinc/86/95/37/1391869537.db2.gz OFPOFSLNQDTSAE-UHFFFAOYSA-N 0 0 348.330 3.322 10 5 EGBERN CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC001353315962 1391988037 /nfs/dbraw/zinc/98/80/37/1391988037.db2.gz ZQRYXTPPZKQXKD-GFCCVEGCSA-N 0 0 337.395 3.452 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@H]2C[C@@]2(C)Br)c([N+](=O)[O-])c1 ZINC001353347698 1391993713 /nfs/dbraw/zinc/99/37/13/1391993713.db2.gz MBPXPYFKLSPKEQ-NOZJJQNGSA-N 0 0 328.162 3.291 10 5 EGBERN O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001354109578 1392120777 /nfs/dbraw/zinc/12/07/77/1392120777.db2.gz CXKVAQNVDWQTBN-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354287568 1392136437 /nfs/dbraw/zinc/13/64/37/1392136437.db2.gz OEXFLAIUMLIVEN-ZIAGYGMSSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Oc2cc([N+](=O)[O-])ccc2C)o1 ZINC001354532830 1392151020 /nfs/dbraw/zinc/15/10/20/1392151020.db2.gz FGACLVLONKCPPT-UHFFFAOYSA-N 0 0 341.323 3.424 10 5 EGBERN Cc1cc(N(C)CCNC(=O)C2(F)CCCCC2)ccc1[N+](=O)[O-] ZINC001690213347 1404420451 /nfs/dbraw/zinc/42/04/51/1404420451.db2.gz WDKXQPUFHALRCC-UHFFFAOYSA-N 0 0 337.395 3.128 10 5 EGBERN CC/C(C)=C\C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001713556582 1418348922 /nfs/dbraw/zinc/34/89/22/1418348922.db2.gz SVJODSGCORWTQQ-WQLSENKSSA-N 0 0 337.445 3.093 10 5 EGBERN C=C/C(C)=C\CC(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001715532742 1420224626 /nfs/dbraw/zinc/22/46/26/1420224626.db2.gz WSSPXKQFMPHWOQ-GDNBJRDFSA-N 0 0 331.416 3.007 10 5 EGBERN CC(C)(C)CC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001725807475 1426485077 /nfs/dbraw/zinc/48/50/77/1426485077.db2.gz LXPKMDDBIDCHAN-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CC2)C1 ZINC001726602091 1427071148 /nfs/dbraw/zinc/07/11/48/1427071148.db2.gz SBNFISUBSBFSRH-ZDUSSCGKSA-N 0 0 341.415 3.500 10 5 EGBERN CC/C=C\Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001745076615 1439726412 /nfs/dbraw/zinc/72/64/12/1439726412.db2.gz UKDACDSYFJFIGH-WAYWQWQTSA-N 0 0 329.404 3.140 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(C)C)CC1 ZINC001750160584 1440103914 /nfs/dbraw/zinc/10/39/14/1440103914.db2.gz PSWVKYYFHWWMQX-UHFFFAOYSA-N 0 0 345.403 3.287 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001752221390 1440156752 /nfs/dbraw/zinc/15/67/52/1440156752.db2.gz YHYWLGCSBZSCEY-NFAWXSAZSA-N 0 0 341.415 3.356 10 5 EGBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001764112264 1441387723 /nfs/dbraw/zinc/38/77/23/1441387723.db2.gz SWDDWVJKEPHDJK-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC=CO1 ZINC001766391218 1441401365 /nfs/dbraw/zinc/40/13/65/1441401365.db2.gz GZRUFIJXPWIPAY-HNNXBMFYSA-N 0 0 343.387 3.002 10 5 EGBERN Cc1nc2sc3c(c2c(-n2ccc([N+](=O)[O-])n2)n1)CC[C@@H](C)C3 ZINC000195216995 282132927 /nfs/dbraw/zinc/13/29/27/282132927.db2.gz CWXVWGWZTCZWOT-MRVPVSSYSA-N 0 0 329.385 3.218 10 5 EGBERN CCc1nc(CC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000177800598 529732750 /nfs/dbraw/zinc/73/27/50/529732750.db2.gz YAHHEWTUYQLCJH-CQSZACIVSA-N 0 0 333.413 3.424 10 5 EGBERN Cc1nnc([C@H]2Cc3ccccc3CN2c2ncc([N+](=O)[O-])s2)o1 ZINC000195510167 282340796 /nfs/dbraw/zinc/34/07/96/282340796.db2.gz IICNUFMJEAZLCO-GFCCVEGCSA-N 0 0 343.368 3.047 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cnn3c2CCCC3)n1 ZINC000371983336 168683208 /nfs/dbraw/zinc/68/32/08/168683208.db2.gz GGVHZJVUDQCIJD-UHFFFAOYSA-N 0 0 339.355 3.461 10 5 EGBERN C[NH+](C)CCNC(=O)c1cccc2c(Cl)c3ccccc3nc12 ZINC000027657234 202158837 /nfs/dbraw/zinc/15/88/37/202158837.db2.gz FWRXXQLUCNPCOM-UHFFFAOYSA-N 0 0 327.815 3.333 10 5 EGBERN O=C(Nc1ccc2c(c1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000033040320 202248757 /nfs/dbraw/zinc/24/87/57/202248757.db2.gz ZTMZJORPAJMBNE-UHFFFAOYSA-N 0 0 329.312 3.400 10 5 EGBERN Cc1c(NC(=O)CCN2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000032903006 202240555 /nfs/dbraw/zinc/24/05/55/202240555.db2.gz WKTSEGHVZWTUIP-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN COc1ccc(C(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 ZINC000037444716 202342731 /nfs/dbraw/zinc/34/27/31/202342731.db2.gz RESUYAZXRNXADU-UHFFFAOYSA-N 0 0 326.102 3.190 10 5 EGBERN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408077179 296026965 /nfs/dbraw/zinc/02/69/65/296026965.db2.gz UENOXJUXDUDZOC-RRQGHBQHSA-N 0 0 343.427 3.481 10 5 EGBERN CCOC(=O)c1nc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000052045813 202643996 /nfs/dbraw/zinc/64/39/96/202643996.db2.gz VIGXLKHCFGTURR-NSHDSACASA-N 0 0 349.412 3.421 10 5 EGBERN Cc1noc(C2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371890840 242040606 /nfs/dbraw/zinc/04/06/06/242040606.db2.gz XZOIZJFPOQVQSN-UHFFFAOYSA-N 0 0 345.359 3.134 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000372114445 242042470 /nfs/dbraw/zinc/04/24/70/242042470.db2.gz SLJQPFUHEIYXKR-YGRLFVJLSA-N 0 0 332.381 3.121 10 5 EGBERN CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000021092888 212205858 /nfs/dbraw/zinc/20/58/58/212205858.db2.gz NYXAIQWUCHVRCW-QGZVFWFLSA-N 0 0 325.324 3.142 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000240900780 242981595 /nfs/dbraw/zinc/98/15/95/242981595.db2.gz ITVCXDAPTYGRSP-ZDUSSCGKSA-N 0 0 335.335 3.134 10 5 EGBERN CC(C)c1nc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000069811257 203052074 /nfs/dbraw/zinc/05/20/74/203052074.db2.gz VNRPPXHGSZAORM-NSHDSACASA-N 0 0 349.412 3.431 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC000072627600 203238207 /nfs/dbraw/zinc/23/82/07/203238207.db2.gz KXRHVYBJICYCGA-JTQLQIEISA-N 0 0 333.300 3.204 10 5 EGBERN Cc1nsc2ncc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000069743190 203313547 /nfs/dbraw/zinc/31/35/47/203313547.db2.gz ITGIJCUQJJGSQS-UHFFFAOYSA-N 0 0 328.353 3.185 10 5 EGBERN CNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040595964 203447973 /nfs/dbraw/zinc/44/79/73/203447973.db2.gz GDEFQMVVYSPDNU-UHFFFAOYSA-N 0 0 329.238 3.069 10 5 EGBERN Cc1c(CC(=O)N2CCO[C@H](c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000130448622 203552814 /nfs/dbraw/zinc/55/28/14/203552814.db2.gz IRQRXFPHEXMROZ-HNNXBMFYSA-N 0 0 346.408 3.107 10 5 EGBERN Cc1ncc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000109376642 204283557 /nfs/dbraw/zinc/28/35/57/204283557.db2.gz XEICQKZIVFWUES-SECBINFHSA-N 0 0 326.399 3.036 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110444414 204312073 /nfs/dbraw/zinc/31/20/73/204312073.db2.gz PELFRIQIJHXBQF-HOTGVXAUSA-N 0 0 340.379 3.284 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000128420232 205146607 /nfs/dbraw/zinc/14/66/07/205146607.db2.gz WFMHGRJNDKJDIX-AWEZNQCLSA-N 0 0 346.387 3.009 10 5 EGBERN C[C@H]1C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132040039 205312125 /nfs/dbraw/zinc/31/21/25/205312125.db2.gz DSEJAICBHXPORU-XNCJUZBTSA-N 0 0 333.569 3.149 10 5 EGBERN CCOCCC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCC1 ZINC000132701477 205337698 /nfs/dbraw/zinc/33/76/98/205337698.db2.gz JSAPFNMPSRQYMA-UHFFFAOYSA-N 0 0 326.418 3.291 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccsc2)C1 ZINC000133750545 205377402 /nfs/dbraw/zinc/37/74/02/205377402.db2.gz WFBUGIVDRPCSDG-CQSZACIVSA-N 0 0 333.369 3.262 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000134143798 205395282 /nfs/dbraw/zinc/39/52/82/205395282.db2.gz HMSHVEPPVSLZDQ-OAHLLOKOSA-N 0 0 333.388 3.010 10 5 EGBERN Cc1sc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000155752022 206032223 /nfs/dbraw/zinc/03/22/23/206032223.db2.gz BPAUXBKAJFBBDV-OAHLLOKOSA-N 0 0 346.408 3.208 10 5 EGBERN CC[C@@H](NC(=O)C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000161573741 206356392 /nfs/dbraw/zinc/35/63/92/206356392.db2.gz UIDBKSGRAIZAJG-ZIAGYGMSSA-N 0 0 340.470 3.401 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161971953 206378963 /nfs/dbraw/zinc/37/89/63/206378963.db2.gz UHHLVDRTFYGCLZ-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc2c1CCCN2 ZINC000377579652 169044615 /nfs/dbraw/zinc/04/46/15/169044615.db2.gz IXZMXFMPSSMECI-UHFFFAOYSA-N 0 0 325.368 3.191 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189843640 284667034 /nfs/dbraw/zinc/66/70/34/284667034.db2.gz RJLGHMVGZDRQEK-UHFFFAOYSA-N 0 0 338.363 3.303 10 5 EGBERN Cc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000378627387 169149107 /nfs/dbraw/zinc/14/91/07/169149107.db2.gz AHOJWCYKTCLASV-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN CC[C@@H](NC(=O)N1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176687854 207249633 /nfs/dbraw/zinc/24/96/33/207249633.db2.gz BJYCVXXKUDUDJI-MRXNPFEDSA-N 0 0 335.404 3.114 10 5 EGBERN CCC[C@H](CCO)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176709925 207253171 /nfs/dbraw/zinc/25/31/71/207253171.db2.gz VPGIDZPLZQPWIR-CZUORRHYSA-N 0 0 337.420 3.144 10 5 EGBERN Cc1cc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000176739708 207256635 /nfs/dbraw/zinc/25/66/35/207256635.db2.gz RHNBKKSIHNOXPC-GFCCVEGCSA-N 0 0 332.360 3.102 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886153 285104938 /nfs/dbraw/zinc/10/49/38/285104938.db2.gz HDNFQEWTCWLYPY-IRXDYDNUSA-N 0 0 343.383 3.393 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613205 285112895 /nfs/dbraw/zinc/11/28/95/285112895.db2.gz LXJFGVRQMKNJRZ-JTQLQIEISA-N 0 0 333.266 3.277 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268407235 285126845 /nfs/dbraw/zinc/12/68/45/285126845.db2.gz RXBZXXQZGLTQPB-CYBMUJFWSA-N 0 0 335.341 3.142 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@H]2CCCc3ccccc32)nc2ccccn21 ZINC000024057236 285207391 /nfs/dbraw/zinc/20/73/91/285207391.db2.gz YSSMQFKYEKERGV-AWEZNQCLSA-N 0 0 336.351 3.092 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CCCc3ccccc32)nc2ccccn21 ZINC000024057234 285207470 /nfs/dbraw/zinc/20/74/70/285207470.db2.gz YSSMQFKYEKERGV-CQSZACIVSA-N 0 0 336.351 3.092 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888658 220604093 /nfs/dbraw/zinc/60/40/93/220604093.db2.gz AADSWXWPPDSLMM-FSNWXROXSA-N 0 0 326.356 3.085 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1OC ZINC000103377185 140872895 /nfs/dbraw/zinc/87/28/95/140872895.db2.gz ABSVXNNRLFIXRK-NSHDSACASA-N 0 0 342.351 3.203 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000246894651 141042303 /nfs/dbraw/zinc/04/23/03/141042303.db2.gz GTILQAOJABEDKB-DOMZBBRYSA-N 0 0 329.356 3.352 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000338046584 141080717 /nfs/dbraw/zinc/08/07/17/141080717.db2.gz QRXPHQCBNVCWKK-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN C[C@H](NC(=O)NC[C@@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000346456664 141198183 /nfs/dbraw/zinc/19/81/83/141198183.db2.gz UYMDKSMOIDRQKK-ZFWWWQNUSA-N 0 0 349.431 3.144 10 5 EGBERN CCOc1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000350631235 141257762 /nfs/dbraw/zinc/25/77/62/141257762.db2.gz HMAIEYQAYXNAIA-UHFFFAOYSA-N 0 0 347.371 3.209 10 5 EGBERN COc1ccc(CNC(=O)c2ccoc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000352936951 141272259 /nfs/dbraw/zinc/27/22/59/141272259.db2.gz BIAMGCXTMCPTBX-UHFFFAOYSA-N 0 0 344.245 3.145 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000353134720 141288165 /nfs/dbraw/zinc/28/81/65/141288165.db2.gz DNSZYSCBMHGRLH-GFCCVEGCSA-N 0 0 345.786 3.460 10 5 EGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)CCCCC1 ZINC000353443033 141296889 /nfs/dbraw/zinc/29/68/89/141296889.db2.gz BWMUKOTZEWRCJL-UHFFFAOYSA-N 0 0 340.383 3.161 10 5 EGBERN COc1cccc(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)n1 ZINC000354583033 141309791 /nfs/dbraw/zinc/30/97/91/141309791.db2.gz XBIZZVBCWCTYJV-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000354606657 141313811 /nfs/dbraw/zinc/31/38/11/141313811.db2.gz DMPYLGNMHRYRGP-UHFFFAOYSA-N 0 0 339.273 3.236 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356854708 141355404 /nfs/dbraw/zinc/35/54/04/141355404.db2.gz UCWQYCRDVZLCHS-VIFPVBQESA-N 0 0 349.265 3.224 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCc2ccnc(OC(F)F)c2)c(F)c1 ZINC000343138999 142641310 /nfs/dbraw/zinc/64/13/10/142641310.db2.gz JEXLKSQPQVUYKB-UHFFFAOYSA-N 0 0 331.225 3.482 10 5 EGBERN O=C(NCCOc1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000106500386 143935396 /nfs/dbraw/zinc/93/53/96/143935396.db2.gz YGFIIGGPXUGENZ-UHFFFAOYSA-N 0 0 337.282 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000129948328 143966364 /nfs/dbraw/zinc/96/63/64/143966364.db2.gz BGYOXAIPIJPRBD-MLGOLLRUSA-N 0 0 326.352 3.198 10 5 EGBERN COC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000172420119 144021026 /nfs/dbraw/zinc/02/10/26/144021026.db2.gz BONXEMVAYCTNOF-OAHLLOKOSA-N 0 0 334.759 3.366 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCC[C@H]2O ZINC000183837495 144080636 /nfs/dbraw/zinc/08/06/36/144080636.db2.gz CMJPOBRASCPHQU-CQSZACIVSA-N 0 0 329.312 3.055 10 5 EGBERN COc1cc(C(=O)NCc2ccc(C(F)F)cc2)ccc1[N+](=O)[O-] ZINC000184545970 144094869 /nfs/dbraw/zinc/09/48/69/144094869.db2.gz DDOPXOVMRCYOGF-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000186253765 144129042 /nfs/dbraw/zinc/12/90/42/144129042.db2.gz HJDRPGREGWKBHJ-UHFFFAOYSA-N 0 0 336.351 3.209 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000344706106 144211834 /nfs/dbraw/zinc/21/18/34/144211834.db2.gz NDFIVICBCWKKGV-UHFFFAOYSA-N 0 0 336.351 3.175 10 5 EGBERN COc1cc(CSc2ncn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000351827837 144312567 /nfs/dbraw/zinc/31/25/67/144312567.db2.gz ROWDNIUEMFHPNZ-UHFFFAOYSA-N 0 0 342.380 3.476 10 5 EGBERN COc1cc(CSc2nnc(-c3ccncc3)o2)ccc1[N+](=O)[O-] ZINC000351849351 144316280 /nfs/dbraw/zinc/31/62/80/144316280.db2.gz PKYLYYIYDPNUIH-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000369957224 144460746 /nfs/dbraw/zinc/46/07/46/144460746.db2.gz GBBAGZXQTWHETE-SECBINFHSA-N 0 0 336.783 3.134 10 5 EGBERN Cc1cccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)c1 ZINC000373283837 144500407 /nfs/dbraw/zinc/50/04/07/144500407.db2.gz IGPBFTNMBVOVRU-OAHLLOKOSA-N 0 0 325.368 3.236 10 5 EGBERN C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000341302787 155236960 /nfs/dbraw/zinc/23/69/60/155236960.db2.gz AWEPBQKNAMEGIY-GFCCVEGCSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1cc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)no1 ZINC000117380313 152095780 /nfs/dbraw/zinc/09/57/80/152095780.db2.gz OEGXAXJWWHUNOJ-UHFFFAOYSA-N 0 0 349.368 3.123 10 5 EGBERN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccccc1F ZINC000341527039 155335189 /nfs/dbraw/zinc/33/51/89/155335189.db2.gz XHGKTDZMVXYHAD-UHFFFAOYSA-N 0 0 348.721 3.376 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117723235 152113664 /nfs/dbraw/zinc/11/36/64/152113664.db2.gz GVKPMTVNQCSJRI-UHFFFAOYSA-N 0 0 344.392 3.351 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)O1 ZINC000154486550 296670497 /nfs/dbraw/zinc/67/04/97/296670497.db2.gz LSZFVOPJMVPORT-ZWNOBZJWSA-N 0 0 346.305 3.053 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000118684968 152147252 /nfs/dbraw/zinc/14/72/52/152147252.db2.gz JJRSWZVBINHPGE-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000119520729 152211009 /nfs/dbraw/zinc/21/10/09/152211009.db2.gz CNBBNXVJGKSMQO-JTQLQIEISA-N 0 0 348.668 3.005 10 5 EGBERN COc1cc(F)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119860764 152233730 /nfs/dbraw/zinc/23/37/30/152233730.db2.gz AJEPLQWLHNGCDJ-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccn(CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000122857886 152426466 /nfs/dbraw/zinc/42/64/66/152426466.db2.gz IDEKKADFKPPYHX-UHFFFAOYSA-N 0 0 346.387 3.488 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000152899618 152516012 /nfs/dbraw/zinc/51/60/12/152516012.db2.gz DWHICEIKNHBKDT-INIZCTEOSA-N 0 0 345.355 3.410 10 5 EGBERN Cc1ccc(-c2cnc(Cn3cc([N+](=O)[O-])cc(C)c3=O)o2)cc1 ZINC000155802540 152643763 /nfs/dbraw/zinc/64/37/63/152643763.db2.gz NVULRELDLJJZJU-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341612224 155382668 /nfs/dbraw/zinc/38/26/68/155382668.db2.gz HPUATIAXWKVQAO-OIRASMEMSA-N 0 0 346.408 3.213 10 5 EGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194126282 153322714 /nfs/dbraw/zinc/32/27/14/153322714.db2.gz QZVXNICNKGFEKM-LBPRGKRZSA-N 0 0 342.311 3.041 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000194259725 153328321 /nfs/dbraw/zinc/32/83/21/153328321.db2.gz GFPMJIKZNSIQDG-LRDDRELGSA-N 0 0 341.367 3.479 10 5 EGBERN CSc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000194861674 153362018 /nfs/dbraw/zinc/36/20/18/153362018.db2.gz FZMUJSIWYBOPGZ-LBPRGKRZSA-N 0 0 330.365 3.180 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(NC(C)=O)cc2)c1 ZINC000326306076 154182580 /nfs/dbraw/zinc/18/25/80/154182580.db2.gz SXHUUCNVLNHHEB-UHFFFAOYSA-N 0 0 346.364 3.491 10 5 EGBERN NC(=O)C1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000336868429 154222221 /nfs/dbraw/zinc/22/22/21/154222221.db2.gz YAYHBBATBKBPEX-UHFFFAOYSA-N 0 0 331.294 3.070 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000345448096 156109916 /nfs/dbraw/zinc/10/99/16/156109916.db2.gz SIXYOWACEJAEAR-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN COc1cccc(-c2nc(CC3CCC(OC)CC3)no2)c1[N+](=O)[O-] ZINC000346924054 156199330 /nfs/dbraw/zinc/19/93/30/156199330.db2.gz AAXXAWUVZUHROY-UHFFFAOYSA-N 0 0 347.371 3.401 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)CC2 ZINC000347022588 156253271 /nfs/dbraw/zinc/25/32/71/156253271.db2.gz YNIYWHXXQMYJIZ-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN CC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000348906103 156283490 /nfs/dbraw/zinc/28/34/90/156283490.db2.gz FNOBJRBZCMTIGA-VIFPVBQESA-N 0 0 330.365 3.450 10 5 EGBERN COC(=O)c1ccc(CNCc2csc([N+](=O)[O-])c2)nc1C1CC1 ZINC000349135737 156363208 /nfs/dbraw/zinc/36/32/08/156363208.db2.gz YQRJDCNQKJLXBG-UHFFFAOYSA-N 0 0 347.396 3.005 10 5 EGBERN CCc1cnc(CN(C)c2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000360115658 156921830 /nfs/dbraw/zinc/92/18/30/156921830.db2.gz DDOQATSKBLFSEQ-UHFFFAOYSA-N 0 0 335.385 3.037 10 5 EGBERN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361953937 156954736 /nfs/dbraw/zinc/95/47/36/156954736.db2.gz TURWFHDBOPYSSQ-LBPRGKRZSA-N 0 0 343.383 3.010 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000365686656 157219798 /nfs/dbraw/zinc/21/97/98/157219798.db2.gz KKKFWZXZQYGLBQ-MSOLQXFVSA-N 0 0 340.379 3.174 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3cccc(-n4cccn4)c3)n2)cc1 ZINC000368606978 157239106 /nfs/dbraw/zinc/23/91/06/157239106.db2.gz XEIWWGPNYSHTOW-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457613 162011077 /nfs/dbraw/zinc/01/10/77/162011077.db2.gz HIXGZJOCZCAHRY-ZLHKHBAESA-N 0 0 340.379 3.387 10 5 EGBERN Cc1ncsc1-c1nc(COc2cccc([N+](=O)[O-])c2C)no1 ZINC000127310524 162329262 /nfs/dbraw/zinc/32/92/62/162329262.db2.gz JQQROWWPNITIEL-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129391152 162356269 /nfs/dbraw/zinc/35/62/69/162356269.db2.gz YVZMIUCFGFFRHT-PVAVHDDUSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000134068731 162479577 /nfs/dbraw/zinc/47/95/77/162479577.db2.gz MNVZDBWVPVONQD-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000135206704 162511949 /nfs/dbraw/zinc/51/19/49/162511949.db2.gz XGXBBLPOAUZOFP-AWEZNQCLSA-N 0 0 343.358 3.142 10 5 EGBERN Cc1sc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151767076 162601348 /nfs/dbraw/zinc/60/13/48/162601348.db2.gz WVRLEHYDRSSNOZ-BMIGLBTASA-N 0 0 346.408 3.429 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccncc3[N+](=O)[O-])c21 ZINC000183604890 162833971 /nfs/dbraw/zinc/83/39/71/162833971.db2.gz ZUGITGSEAPFENN-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)Nc2ncc([N+](=O)[O-])s2)nc1C ZINC000337019573 163106450 /nfs/dbraw/zinc/10/64/50/163106450.db2.gz PNLMROFOUCBCLP-SSDOTTSWSA-N 0 0 342.402 3.166 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245546 163178032 /nfs/dbraw/zinc/17/80/32/163178032.db2.gz HGUSLLNNVRTACA-HNNXBMFYSA-N 0 0 330.388 3.064 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1[N+](=O)[O-] ZINC000338459633 163230942 /nfs/dbraw/zinc/23/09/42/163230942.db2.gz NPEWXFABIRSJRJ-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(-n2cccn2)c(F)c1 ZINC000338740108 163336261 /nfs/dbraw/zinc/33/62/61/163336261.db2.gz DTYMQBPMVJJTDO-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000343649681 164002898 /nfs/dbraw/zinc/00/28/98/164002898.db2.gz ILYQUXPKXAFNCI-GFCCVEGCSA-N 0 0 334.372 3.040 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000343801541 164037458 /nfs/dbraw/zinc/03/74/58/164037458.db2.gz RMGVZECPINRJQQ-APPDUMDISA-N 0 0 338.354 3.454 10 5 EGBERN CN(C(=O)Cc1csc2ccccc12)c1ccc([N+](=O)[O-])nc1 ZINC000344231661 164131734 /nfs/dbraw/zinc/13/17/34/164131734.db2.gz YNPOFOBMISRLHX-UHFFFAOYSA-N 0 0 327.365 3.410 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCSc1ccccc1 ZINC000344310066 164152260 /nfs/dbraw/zinc/15/22/60/164152260.db2.gz HENQZSDJEZINFA-UHFFFAOYSA-N 0 0 331.397 3.210 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000344607640 164199865 /nfs/dbraw/zinc/19/98/65/164199865.db2.gz RHFSMVAJLAXMBY-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(CSC)cc3)no2)n1 ZINC000346146732 164349508 /nfs/dbraw/zinc/34/95/08/164349508.db2.gz IMZRYIMANSDEOE-UHFFFAOYSA-N 0 0 345.384 3.391 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000348324695 164709945 /nfs/dbraw/zinc/70/99/45/164709945.db2.gz LAANXROMCNEMPP-JTQLQIEISA-N 0 0 328.315 3.301 10 5 EGBERN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000348797205 164817955 /nfs/dbraw/zinc/81/79/55/164817955.db2.gz FVSZMVBUGPYZJV-WFASDCNBSA-N 0 0 325.368 3.371 10 5 EGBERN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000348807062 164819795 /nfs/dbraw/zinc/81/97/95/164819795.db2.gz UIHAPPOZLFQNOQ-TZMCWYRMSA-N 0 0 325.368 3.371 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000354991567 166081394 /nfs/dbraw/zinc/08/13/94/166081394.db2.gz ACNSJLLPMZMAJM-UHFFFAOYSA-N 0 0 340.383 3.289 10 5 EGBERN Cc1sc(C(=O)NCCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000351935329 165156518 /nfs/dbraw/zinc/15/65/18/165156518.db2.gz GTGBQGSLQSLTBU-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352091493 165230139 /nfs/dbraw/zinc/23/01/39/165230139.db2.gz FOHJXRZQIWJDNZ-VQIMIIECSA-N 0 0 341.411 3.138 10 5 EGBERN CCc1cccc(F)c1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355176649 166124181 /nfs/dbraw/zinc/12/41/81/166124181.db2.gz NKNZGNCXQXFRNK-UHFFFAOYSA-N 0 0 328.347 3.462 10 5 EGBERN COc1ccc(N(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C2CC2)cc1 ZINC000355379693 166179666 /nfs/dbraw/zinc/17/96/66/166179666.db2.gz FNHPUESJALFUDV-LLVKDONJSA-N 0 0 329.356 3.377 10 5 EGBERN CN(CC(=O)N1CCC(C)(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000355449691 166204171 /nfs/dbraw/zinc/20/41/71/166204171.db2.gz AYFCQZKHKMRARL-UHFFFAOYSA-N 0 0 331.416 3.070 10 5 EGBERN CC(=O)Nc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000355671426 166280421 /nfs/dbraw/zinc/28/04/21/166280421.db2.gz MODRTUVEWPEXGL-UHFFFAOYSA-N 0 0 338.323 3.194 10 5 EGBERN Cc1nn(CCC(=O)NCC(C)(C)C2=CCCCC2)c(C)c1[N+](=O)[O-] ZINC000355723733 166291134 /nfs/dbraw/zinc/29/11/34/166291134.db2.gz DHDVCRXIVZAVQJ-UHFFFAOYSA-N 0 0 348.447 3.441 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000356742315 166497821 /nfs/dbraw/zinc/49/78/21/166497821.db2.gz VYFHXSHUSHFOCV-UHFFFAOYSA-N 0 0 341.367 3.244 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1 ZINC000356808145 166515096 /nfs/dbraw/zinc/51/50/96/166515096.db2.gz MZLODKGHPYUNFE-UHFFFAOYSA-N 0 0 337.295 3.202 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])o1 ZINC000358949775 167016442 /nfs/dbraw/zinc/01/64/42/167016442.db2.gz UHALIVWWBQIVID-ZDUSSCGKSA-N 0 0 346.383 3.403 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Cl)cc3cccnc32)c1=O ZINC000359471457 167165465 /nfs/dbraw/zinc/16/54/65/167165465.db2.gz ILGZNRWHDNQZJJ-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000359533717 167182196 /nfs/dbraw/zinc/18/21/96/167182196.db2.gz QLERUYDJUJCPCH-IETSOEAISA-N 0 0 330.388 3.485 10 5 EGBERN COc1cc(C(=O)N[C@H](C(C)C)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000359847801 167247631 /nfs/dbraw/zinc/24/76/31/167247631.db2.gz GFBLXJANIXRKPE-GFCCVEGCSA-N 0 0 334.294 3.229 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000360395072 167319849 /nfs/dbraw/zinc/31/98/49/167319849.db2.gz NLJIOTQYQNSXDH-ZIAGYGMSSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000360639200 167375887 /nfs/dbraw/zinc/37/58/87/167375887.db2.gz QMJOAXARLKVARH-CQSZACIVSA-N 0 0 331.397 3.476 10 5 EGBERN C[C@@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360688332 167389352 /nfs/dbraw/zinc/38/93/52/167389352.db2.gz CRGIICXGOKGJQH-GFCCVEGCSA-N 0 0 331.372 3.140 10 5 EGBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000362482512 167769581 /nfs/dbraw/zinc/76/95/81/167769581.db2.gz GLRDFJVUYFTBMJ-CVEARBPZSA-N 0 0 332.400 3.371 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCOCC1 ZINC000364811499 167986594 /nfs/dbraw/zinc/98/65/94/167986594.db2.gz PTPGYUHRVSOBCJ-SECBINFHSA-N 0 0 332.278 3.369 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000365065916 168018146 /nfs/dbraw/zinc/01/81/46/168018146.db2.gz GQZIZAGRCCZCTH-OAHLLOKOSA-N 0 0 345.355 3.410 10 5 EGBERN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288605 168103297 /nfs/dbraw/zinc/10/32/97/168103297.db2.gz VTMAGMYAFZVQJZ-HOCLYGCPSA-N 0 0 340.807 3.018 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000366916250 168155890 /nfs/dbraw/zinc/15/58/90/168155890.db2.gz XCNMPZSADOXIJF-OAHLLOKOSA-N 0 0 329.360 3.087 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367557829 168241739 /nfs/dbraw/zinc/24/17/39/168241739.db2.gz UOKQVTSJLKZHJI-QAPCUYQASA-N 0 0 340.379 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000156291607 264824410 /nfs/dbraw/zinc/82/44/10/264824410.db2.gz NPZUINXEKWOQDY-UHFFFAOYSA-N 0 0 327.384 3.241 10 5 EGBERN Cc1nc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000159931300 264866967 /nfs/dbraw/zinc/86/69/67/264866967.db2.gz RHIGBKHVYIPDFP-UHFFFAOYSA-N 0 0 341.371 3.011 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1[N+](=O)[O-] ZINC000173957012 265013610 /nfs/dbraw/zinc/01/36/10/265013610.db2.gz GXCYDAMHVMIOEZ-UHFFFAOYSA-N 0 0 341.367 3.238 10 5 EGBERN COc1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000174547485 265056295 /nfs/dbraw/zinc/05/62/95/265056295.db2.gz MALCHQZNYXJRNO-ZDUSSCGKSA-N 0 0 344.367 3.109 10 5 EGBERN CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882059 265078210 /nfs/dbraw/zinc/07/82/10/265078210.db2.gz QWDINPDSTTZLMJ-CJNGLKHVSA-N 0 0 332.404 3.420 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176684230 265197787 /nfs/dbraw/zinc/19/77/87/265197787.db2.gz FCMHTXSJOOGSGY-IAGOWNOFSA-N 0 0 349.431 3.286 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2ccccc2O)c(Br)c1 ZINC000177544262 265259951 /nfs/dbraw/zinc/25/99/51/265259951.db2.gz HPPOBZODWNGGPD-UHFFFAOYSA-N 0 0 338.161 3.113 10 5 EGBERN O=C(CN1C[C@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177552704 265262550 /nfs/dbraw/zinc/26/25/50/265262550.db2.gz QGOWOGXQJCRAGK-VXGBXAGGSA-N 0 0 337.807 3.309 10 5 EGBERN CC[C@H](NC(=O)c1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177790143 265278312 /nfs/dbraw/zinc/27/83/12/265278312.db2.gz KQSVRBHZYMIAAB-INIZCTEOSA-N 0 0 344.367 3.493 10 5 EGBERN CC[C@H](NC(=O)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177797866 265278707 /nfs/dbraw/zinc/27/87/07/265278707.db2.gz LEMWDRCBDNBFAJ-INIZCTEOSA-N 0 0 344.367 3.493 10 5 EGBERN Cc1nc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000178700464 265336976 /nfs/dbraw/zinc/33/69/76/265336976.db2.gz HPTPPCXWNWMKHJ-UHFFFAOYSA-N 0 0 333.413 3.421 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000191011624 265878894 /nfs/dbraw/zinc/87/88/94/265878894.db2.gz TYFGMITVTZLJNM-MGPLVRAMSA-N 0 0 329.308 3.074 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000191580521 265916296 /nfs/dbraw/zinc/91/62/96/265916296.db2.gz RSWNPCRVEXPCAD-AWEZNQCLSA-N 0 0 342.399 3.354 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194486156 266122452 /nfs/dbraw/zinc/12/24/52/266122452.db2.gz PLQFXXLLIWCSIE-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN CCOC(=O)NCCCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000269912460 266380416 /nfs/dbraw/zinc/38/04/16/266380416.db2.gz OBJDNXVAFSXBGS-LBPRGKRZSA-N 0 0 338.360 3.034 10 5 EGBERN COc1cc(N(C)CCc2ncc(C)s2)c(F)cc1[N+](=O)[O-] ZINC000271118899 266605636 /nfs/dbraw/zinc/60/56/36/266605636.db2.gz XJQRHSNTOCWMOK-UHFFFAOYSA-N 0 0 325.365 3.186 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000272141901 266778202 /nfs/dbraw/zinc/77/82/02/266778202.db2.gz UTPMBFHGBFHQRP-GDBMZVCRSA-N 0 0 334.416 3.026 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)Oc2ncccc21 ZINC000274085509 267178147 /nfs/dbraw/zinc/17/81/47/267178147.db2.gz RBWWQZDWKNSVEE-JTQLQIEISA-N 0 0 347.758 3.379 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000274489159 267245273 /nfs/dbraw/zinc/24/52/73/267245273.db2.gz QMKJKCZARDCDKV-RISCZKNCSA-N 0 0 340.807 3.117 10 5 EGBERN C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCC1=O ZINC000275451431 267363368 /nfs/dbraw/zinc/36/33/68/267363368.db2.gz XUKBONBVZPTQQN-CYBMUJFWSA-N 0 0 338.363 3.241 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000275782846 267425614 /nfs/dbraw/zinc/42/56/14/267425614.db2.gz JSWKOUHXSNZAHU-GOEBONIOSA-N 0 0 338.791 3.244 10 5 EGBERN COc1ccc2c(CC(=O)NCc3ccccc3[N+](=O)[O-])coc2c1 ZINC000046135904 275135721 /nfs/dbraw/zinc/13/57/21/275135721.db2.gz XYLGLNIQURVOII-UHFFFAOYSA-N 0 0 340.335 3.209 10 5 EGBERN Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184985018 275214439 /nfs/dbraw/zinc/21/44/39/275214439.db2.gz MMWKLELEWWRFGF-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000278627271 275260437 /nfs/dbraw/zinc/26/04/37/275260437.db2.gz MFRVFWRNYWIYJW-FZMZJTMJSA-N 0 0 340.807 3.180 10 5 EGBERN CCC[C@H](NC(=O)[C@@H](C)n1cc(C)c([N+](=O)[O-])n1)c1ccccc1 ZINC000282154650 275607150 /nfs/dbraw/zinc/60/71/50/275607150.db2.gz CEYUPSRMVLNSKO-HIFRSBDPSA-N 0 0 330.388 3.318 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1cccs1 ZINC000283469964 275726248 /nfs/dbraw/zinc/72/62/48/275726248.db2.gz PBPBCUXBPYJBIP-SECBINFHSA-N 0 0 337.376 3.352 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338493931 275884260 /nfs/dbraw/zinc/88/42/60/275884260.db2.gz HAKQZLJOBROXPA-GFCCVEGCSA-N 0 0 344.820 3.027 10 5 EGBERN CC1(C)CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000356278136 276102487 /nfs/dbraw/zinc/10/24/87/276102487.db2.gz JRWZARZHLGBROV-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000287909306 276168479 /nfs/dbraw/zinc/16/84/79/276168479.db2.gz VVXAYYRSHHHCLM-HNNXBMFYSA-N 0 0 326.780 3.023 10 5 EGBERN COC(=O)CCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289635260 276369864 /nfs/dbraw/zinc/36/98/64/276369864.db2.gz KRJAOOQIZJRHAX-UHFFFAOYSA-N 0 0 343.767 3.103 10 5 EGBERN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(CCF)CC1 ZINC000290933352 276562602 /nfs/dbraw/zinc/56/26/02/276562602.db2.gz VMCKCTGESJLLQW-UHFFFAOYSA-N 0 0 336.363 3.104 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000291881812 276703270 /nfs/dbraw/zinc/70/32/70/276703270.db2.gz JAQRSRAHKMRDRD-HIFRSBDPSA-N 0 0 340.326 3.171 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000292031048 276723639 /nfs/dbraw/zinc/72/36/39/276723639.db2.gz UHUWGZNJFAXFHD-GFCCVEGCSA-N 0 0 343.774 3.444 10 5 EGBERN CC(C)(C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000098065895 277173532 /nfs/dbraw/zinc/17/35/32/277173532.db2.gz LZDMTBTVAKQXNS-UHFFFAOYSA-N 0 0 326.296 3.099 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000375414560 277266072 /nfs/dbraw/zinc/26/60/72/277266072.db2.gz KOXPVPHPALXWNE-UHFFFAOYSA-N 0 0 332.400 3.287 10 5 EGBERN COc1cc(N2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000133532903 277381275 /nfs/dbraw/zinc/38/12/75/277381275.db2.gz BZUSTPQHVSYLFG-UHFFFAOYSA-N 0 0 338.379 3.386 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000347848392 277389428 /nfs/dbraw/zinc/38/94/28/277389428.db2.gz NKEQTRJDNIANSJ-KWQFWETISA-N 0 0 332.278 3.016 10 5 EGBERN C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342246984 278348459 /nfs/dbraw/zinc/34/84/59/278348459.db2.gz GKKAVMOYCSDQDD-FZMZJTMJSA-N 0 0 347.415 3.136 10 5 EGBERN CCOc1ccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224826 279964923 /nfs/dbraw/zinc/96/49/23/279964923.db2.gz HQVWYSFARPUDPD-SMDDNHRTSA-N 0 0 345.403 3.079 10 5 EGBERN Cc1c(Br)c(N[C@H]2CCOC2(C)C)ncc1[N+](=O)[O-] ZINC000328402312 280199252 /nfs/dbraw/zinc/19/92/52/280199252.db2.gz RWFOMJWKCLELCP-VIFPVBQESA-N 0 0 330.182 3.040 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc([N+](=O)[O-])c1 ZINC000190151990 280353664 /nfs/dbraw/zinc/35/36/64/280353664.db2.gz ZQMFTVBJNFAOLR-MRXNPFEDSA-N 0 0 326.352 3.465 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1CCC(c2nnc3ccccn32)CC1 ZINC000341340301 280372662 /nfs/dbraw/zinc/37/26/62/280372662.db2.gz JJQOCJKTRWWFIW-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338815233 281430913 /nfs/dbraw/zinc/43/09/13/281430913.db2.gz OYUGUHIFVGLGMN-CQSZACIVSA-N 0 0 335.429 3.163 10 5 EGBERN Cc1nc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c(N2CCCCC2)n1 ZINC000001576916 282014834 /nfs/dbraw/zinc/01/48/34/282014834.db2.gz ZTGKUVHJOLEAEH-UHFFFAOYSA-N 0 0 338.371 3.022 10 5 EGBERN COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000000423830 295155143 /nfs/dbraw/zinc/15/51/43/295155143.db2.gz KCRJPGUOPLWCRT-MRXNPFEDSA-N 0 0 330.365 3.382 10 5 EGBERN C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)O1 ZINC000154486849 300029506 /nfs/dbraw/zinc/02/95/06/300029506.db2.gz LSZFVOPJMVPORT-GWCFXTLKSA-N 0 0 346.305 3.053 10 5 EGBERN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cn1 ZINC000000423811 304643623 /nfs/dbraw/zinc/64/36/23/304643623.db2.gz ZOINZRQVUHKSOX-CQSZACIVSA-N 0 0 335.772 3.422 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536238 307366157 /nfs/dbraw/zinc/36/61/57/307366157.db2.gz UOROOFWIMYGOIO-UHFFFAOYSA-N 0 0 343.383 3.335 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000075277625 307398744 /nfs/dbraw/zinc/39/87/44/307398744.db2.gz UTVVALLMYBUHEJ-VXGBXAGGSA-N 0 0 334.372 3.032 10 5 EGBERN Cc1ccccc1[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079295595 307424889 /nfs/dbraw/zinc/42/48/89/307424889.db2.gz ZINDBGTYGCIKJV-CQSZACIVSA-N 0 0 327.384 3.217 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CS1 ZINC000413944842 309053521 /nfs/dbraw/zinc/05/35/21/309053521.db2.gz FFKKEBIZCZFJET-SFYZADRCSA-N 0 0 334.319 3.237 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000413978560 309055127 /nfs/dbraw/zinc/05/51/27/309055127.db2.gz PTKLTVDYWGGGQR-RISCZKNCSA-N 0 0 328.796 3.082 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000121460824 307519464 /nfs/dbraw/zinc/51/94/64/307519464.db2.gz BAQBWIHUTYZTMJ-MRXNPFEDSA-N 0 0 334.416 3.253 10 5 EGBERN COc1ccccc1NC(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000130665244 307632268 /nfs/dbraw/zinc/63/22/68/307632268.db2.gz LPKJTTNZRPMPJD-UHFFFAOYSA-N 0 0 336.731 3.274 10 5 EGBERN C[C@@H](c1cccs1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151890899 307741215 /nfs/dbraw/zinc/74/12/15/307741215.db2.gz OFAWBABRNXMFEE-NSHDSACASA-N 0 0 340.426 3.179 10 5 EGBERN CC(C)Oc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000165537885 307929802 /nfs/dbraw/zinc/92/98/02/307929802.db2.gz GZODCZZRLQTJME-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN COC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000170749497 307935116 /nfs/dbraw/zinc/93/51/16/307935116.db2.gz ONFJCQIDYANMJE-INIZCTEOSA-N 0 0 329.356 3.412 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414448715 309080912 /nfs/dbraw/zinc/08/09/12/309080912.db2.gz BFYIDWSZYZNMMA-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN O=[N+]([O-])c1ccc(CCN[C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000292834820 308070916 /nfs/dbraw/zinc/07/09/16/308070916.db2.gz ASLSMAIBRNVMDC-NSHDSACASA-N 0 0 331.319 3.487 10 5 EGBERN CC(C)(NC(=O)CCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000293850653 308167833 /nfs/dbraw/zinc/16/78/33/308167833.db2.gz CPNHWQNZFJXJTA-UHFFFAOYSA-N 0 0 328.368 3.285 10 5 EGBERN COCC1(CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000293927260 308174828 /nfs/dbraw/zinc/17/48/28/308174828.db2.gz PJQSSSHZQRMUIY-WYMLVPIESA-N 0 0 332.400 3.321 10 5 EGBERN CC[C@@H](COCC(F)(F)F)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295066611 308287274 /nfs/dbraw/zinc/28/72/74/308287274.db2.gz ZEUHZKZHFMPBSY-QMMMGPOBSA-N 0 0 332.282 3.241 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](C)(F)C1 ZINC000295216965 308304022 /nfs/dbraw/zinc/30/40/22/308304022.db2.gz BFXJCDUBMMIEJT-NHYWBVRUSA-N 0 0 326.393 3.426 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295244936 308307084 /nfs/dbraw/zinc/30/70/84/308307084.db2.gz YNGFPECCVVNYQH-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN COc1cc(C(=O)Nc2cccc(C3CC3)n2)c([N+](=O)[O-])cc1F ZINC000295499842 308332910 /nfs/dbraw/zinc/33/29/10/308332910.db2.gz DMYXSLHPWGSVKR-UHFFFAOYSA-N 0 0 331.303 3.267 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@](C)(F)C1 ZINC000295514213 308334680 /nfs/dbraw/zinc/33/46/80/308334680.db2.gz UHVHCDFYBZNVQJ-BMIGLBTASA-N 0 0 343.786 3.399 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000299572676 308679945 /nfs/dbraw/zinc/67/99/45/308679945.db2.gz BVBVYXLPKZGZTF-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc3n2CCCC3)c(F)c1 ZINC000299577372 308680119 /nfs/dbraw/zinc/68/01/19/308680119.db2.gz IGMINHYSZWTEMS-OAHLLOKOSA-N 0 0 345.378 3.393 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301129154 308689256 /nfs/dbraw/zinc/68/92/56/308689256.db2.gz QCVICOFYQKPRRB-LBPRGKRZSA-N 0 0 337.395 3.111 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000301192114 308691412 /nfs/dbraw/zinc/69/14/12/308691412.db2.gz SIMCXXNNWNVMPR-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN CCC[C@@H]1C[C@@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301426516 308699769 /nfs/dbraw/zinc/69/97/69/308699769.db2.gz GZOAIHOSRBHQJW-MFKMUULPSA-N 0 0 348.790 3.395 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC(OCC(C)C)CC2)c1 ZINC000301437083 308700279 /nfs/dbraw/zinc/70/02/79/308700279.db2.gz KMHLJKOWVRAXKD-UHFFFAOYSA-N 0 0 326.368 3.384 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000301442313 308700441 /nfs/dbraw/zinc/70/04/41/308700441.db2.gz IYGGDYAXJFQWPC-GQCTYLIASA-N 0 0 333.369 3.158 10 5 EGBERN CC[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(F)c1 ZINC000301909284 308721241 /nfs/dbraw/zinc/72/12/41/308721241.db2.gz AWPQLDQWGYECSD-GFCCVEGCSA-N 0 0 345.334 3.046 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000302140081 308730461 /nfs/dbraw/zinc/73/04/61/308730461.db2.gz FCOMSXKWDJOAQW-OAHLLOKOSA-N 0 0 348.380 3.021 10 5 EGBERN CC(C)c1nnc2n1CCN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]2C ZINC000302594914 308740257 /nfs/dbraw/zinc/74/02/57/308740257.db2.gz XELHMRIGFISYPZ-VIFPVBQESA-N 0 0 337.330 3.169 10 5 EGBERN Cc1ccc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000302717557 308742854 /nfs/dbraw/zinc/74/28/54/308742854.db2.gz KASXATSMKNEZGJ-INIZCTEOSA-N 0 0 343.358 3.255 10 5 EGBERN Cc1cc(NCCCc2cc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302778360 308745255 /nfs/dbraw/zinc/74/52/55/308745255.db2.gz PWMHWBHNOPZTBR-UHFFFAOYSA-N 0 0 338.371 3.128 10 5 EGBERN Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1O ZINC000303745458 308755014 /nfs/dbraw/zinc/75/50/14/308755014.db2.gz AITFBKFFUSHZCU-UHFFFAOYSA-N 0 0 328.368 3.362 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCC[C@@H](CO)C1 ZINC000311320909 308764289 /nfs/dbraw/zinc/76/42/89/308764289.db2.gz CAYLFTQYNRVBQI-MWLCHTKSSA-N 0 0 329.194 3.320 10 5 EGBERN CN(CC1CCCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166179 308802695 /nfs/dbraw/zinc/80/26/95/308802695.db2.gz YGWJYMNLSWJWSO-UHFFFAOYSA-N 0 0 326.343 3.454 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@H]1CC(C)C ZINC000331266831 308803582 /nfs/dbraw/zinc/80/35/82/308803582.db2.gz QSCRSWCWGBKRNR-CYBMUJFWSA-N 0 0 340.807 3.444 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000410141086 308915192 /nfs/dbraw/zinc/91/51/92/308915192.db2.gz DXXTUMMCKMXAEK-SHTZXODSSA-N 0 0 340.379 3.344 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411902340 308957403 /nfs/dbraw/zinc/95/74/03/308957403.db2.gz GXURXBSSCJGREV-SNVBAGLBSA-N 0 0 326.418 3.351 10 5 EGBERN COC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411910760 308957416 /nfs/dbraw/zinc/95/74/16/308957416.db2.gz VHOABJUPCFFFCR-KSZLIROESA-N 0 0 340.379 3.202 10 5 EGBERN C[C@H]1C[C@@H]1N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000411928027 308958043 /nfs/dbraw/zinc/95/80/43/308958043.db2.gz UBMHFGIMPBRVBK-LRDDRELGSA-N 0 0 325.368 3.109 10 5 EGBERN C[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000412261910 308977889 /nfs/dbraw/zinc/97/78/89/308977889.db2.gz XFWGHXRHUSPIQR-RRQGHBQHSA-N 0 0 344.411 3.116 10 5 EGBERN COC(=O)c1cccc(OCc2cc(C(C)(C)C)on2)c1[N+](=O)[O-] ZINC000413016653 309012012 /nfs/dbraw/zinc/01/20/12/309012012.db2.gz MOUFKDHQNFDCPQ-UHFFFAOYSA-N 0 0 334.328 3.246 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(F)c1 ZINC000413145599 309018178 /nfs/dbraw/zinc/01/81/78/309018178.db2.gz RSPGUCDCYNCGBL-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCCC[C@H]3CCCC[C@H]3O)c2c1 ZINC000413211444 309021731 /nfs/dbraw/zinc/02/17/31/309021731.db2.gz XCFCLVYHCANHGL-RHSMWYFYSA-N 0 0 329.400 3.308 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nc3ccccc3n2C2CC2)c(F)c1 ZINC000413229082 309022692 /nfs/dbraw/zinc/02/26/92/309022692.db2.gz KAQDGNQZDANJEN-UHFFFAOYSA-N 0 0 327.319 3.426 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3F)ccc21 ZINC000413241998 309023233 /nfs/dbraw/zinc/02/32/33/309023233.db2.gz WPMPHVRTQFPDDT-UHFFFAOYSA-N 0 0 330.319 3.172 10 5 EGBERN CNC(=O)c1ccc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000413442537 309032252 /nfs/dbraw/zinc/03/22/52/309032252.db2.gz MSUDLFQMBPGETM-UHFFFAOYSA-N 0 0 327.331 3.190 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccccc4F)CC3)no2)n1 ZINC000420519244 309289109 /nfs/dbraw/zinc/28/91/09/309289109.db2.gz JGKOZCKGDNENAG-UHFFFAOYSA-N 0 0 343.318 3.080 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1ccc2c(c1)CCCC2 ZINC000420644758 309291452 /nfs/dbraw/zinc/29/14/52/309291452.db2.gz SLOSVBWXJDVWDA-UHFFFAOYSA-N 0 0 329.381 3.119 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421432218 309324357 /nfs/dbraw/zinc/32/43/57/309324357.db2.gz PAEHRORSCRPERZ-IJLUTSLNSA-N 0 0 332.356 3.131 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000421661804 309333265 /nfs/dbraw/zinc/33/32/65/309333265.db2.gz ITSBPAPEQCNAFS-WCQYABFASA-N 0 0 334.397 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000421777780 309339716 /nfs/dbraw/zinc/33/97/16/309339716.db2.gz BNHASPUTQLSYNR-GOSISDBHSA-N 0 0 332.400 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000421789709 309340175 /nfs/dbraw/zinc/34/01/75/309340175.db2.gz BPUBVMZCANFGOD-CQSZACIVSA-N 0 0 340.379 3.142 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422194465 309357503 /nfs/dbraw/zinc/35/75/03/309357503.db2.gz YVWMLLHRJOOZDD-YOEHRIQHSA-N 0 0 349.431 3.240 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000422242849 309359063 /nfs/dbraw/zinc/35/90/63/309359063.db2.gz VMSGSJVNALFSST-UKRRQHHQSA-N 0 0 335.404 3.087 10 5 EGBERN CCC(CC)c1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)on1 ZINC000427991977 309539962 /nfs/dbraw/zinc/53/99/62/309539962.db2.gz LKKNEIMIMMYHQZ-UHFFFAOYSA-N 0 0 329.360 3.397 10 5 EGBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428091421 309541983 /nfs/dbraw/zinc/54/19/83/309541983.db2.gz ZMYYPARINWQEAJ-IMRBUKKESA-N 0 0 329.381 3.247 10 5 EGBERN CN(C)c1ncccc1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000430467596 309608703 /nfs/dbraw/zinc/60/87/03/309608703.db2.gz ZBQBNUNABWFHTF-UHFFFAOYSA-N 0 0 340.339 3.079 10 5 EGBERN Cc1nc(NC(=O)c2csc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000430733023 309616344 /nfs/dbraw/zinc/61/63/44/309616344.db2.gz QQBDBDZWNJHNIR-UHFFFAOYSA-N 0 0 332.263 3.026 10 5 EGBERN Cc1cc(OCC(=O)Nc2cccc(N(C)C)c2C)ccc1[N+](=O)[O-] ZINC000430793661 309617884 /nfs/dbraw/zinc/61/78/84/309617884.db2.gz MSVOTYZNQXJTJW-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433244977 309683406 /nfs/dbraw/zinc/68/34/06/309683406.db2.gz HXJNWLVTJYCTOU-IUODEOHRSA-N 0 0 346.383 3.402 10 5 EGBERN COC(=O)c1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)sc1C ZINC000433748772 309695053 /nfs/dbraw/zinc/69/50/53/309695053.db2.gz SONKRVMFPLOLTJ-UHFFFAOYSA-N 0 0 347.396 3.315 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3C[C@H](c4cccc(F)c4)C3)[nH]c2c1 ZINC000435602026 309736036 /nfs/dbraw/zinc/73/60/36/309736036.db2.gz AYAQWJZOCODAEE-AULYBMBSSA-N 0 0 326.331 3.390 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000436007958 309744751 /nfs/dbraw/zinc/74/47/51/309744751.db2.gz OVMAHVSIAHQPPS-AWEZNQCLSA-N 0 0 343.427 3.236 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(OC)cc2C)c1 ZINC000436408714 309754818 /nfs/dbraw/zinc/75/48/18/309754818.db2.gz WKECTTVCOOWIES-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000438107330 309806784 /nfs/dbraw/zinc/80/67/84/309806784.db2.gz VFUNJPUCKGEMAY-SNVBAGLBSA-N 0 0 348.380 3.428 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1Cc2ccccc2C1 ZINC000438947802 309822994 /nfs/dbraw/zinc/82/29/94/309822994.db2.gz BUZLCNIVXTWUMQ-UHFFFAOYSA-N 0 0 330.771 3.454 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c2ccncc21 ZINC000439084832 309826014 /nfs/dbraw/zinc/82/60/14/309826014.db2.gz HOZBDNKZNGIZSU-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000441546425 309874107 /nfs/dbraw/zinc/87/41/07/309874107.db2.gz XKXCISJIAQMUQH-PMPSAXMXSA-N 0 0 335.404 3.303 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000445504408 309942519 /nfs/dbraw/zinc/94/25/19/309942519.db2.gz PKEBEUJIZVFJPZ-LJQANCHMSA-N 0 0 339.395 3.468 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OC)cc1C ZINC000445735509 309946439 /nfs/dbraw/zinc/94/64/39/309946439.db2.gz UQANEDDSDVFNSC-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000446991236 309972374 /nfs/dbraw/zinc/97/23/74/309972374.db2.gz WCYNXSCHCIWKAR-HNNXBMFYSA-N 0 0 341.411 3.405 10 5 EGBERN C[C@@H](NC(=O)c1cn(C)nc1-c1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000447552965 309981960 /nfs/dbraw/zinc/98/19/60/309981960.db2.gz XOOWTDRPKWFUQU-LLVKDONJSA-N 0 0 340.339 3.079 10 5 EGBERN CC[C@H](NC(=O)[C@@H](Cc1ccccc1)OC)c1cccc([N+](=O)[O-])c1 ZINC000450052194 310100811 /nfs/dbraw/zinc/10/08/11/310100811.db2.gz KROOPNUNJMWECE-ZWKOTPCHSA-N 0 0 342.395 3.420 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000450066411 310101686 /nfs/dbraw/zinc/10/16/86/310101686.db2.gz LSPHMNZTVIWMQS-HUUCEWRRSA-N 0 0 340.383 3.043 10 5 EGBERN CC(C)Cn1ccnc1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450352806 310117433 /nfs/dbraw/zinc/11/74/33/310117433.db2.gz ZVWDPDJDJJHQMK-UHFFFAOYSA-N 0 0 325.372 3.030 10 5 EGBERN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000450442917 310122986 /nfs/dbraw/zinc/12/29/86/310122986.db2.gz UEXGCARKQLIHJG-GDBMZVCRSA-N 0 0 331.347 3.485 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCCc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000450551667 310129655 /nfs/dbraw/zinc/12/96/55/310129655.db2.gz GHILWARFMONIGA-CQSZACIVSA-N 0 0 345.330 3.405 10 5 EGBERN Cc1c(Nc2nc(C)cc(C)c2[N+](=O)[O-])cnn1C1CCOCC1 ZINC000450562709 310130249 /nfs/dbraw/zinc/13/02/49/310130249.db2.gz KQFLAMUIYXTOQM-UHFFFAOYSA-N 0 0 331.376 3.207 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(ccnc2OC)c1 ZINC000450755593 310141097 /nfs/dbraw/zinc/14/10/97/310141097.db2.gz FIAQZTVDDILTNZ-UHFFFAOYSA-N 0 0 327.344 3.420 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccccn3)C2)n1 ZINC000450855357 310146109 /nfs/dbraw/zinc/14/61/09/310146109.db2.gz HHDUSPHVCXBLJH-UKRRQHHQSA-N 0 0 328.372 3.334 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451114713 310161311 /nfs/dbraw/zinc/16/13/11/310161311.db2.gz DYKRCMKCVXYWOH-RDBSUJKOSA-N 0 0 332.400 3.451 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000452809577 310242930 /nfs/dbraw/zinc/24/29/30/310242930.db2.gz CSAJXVZGXYSNDH-MLGOLLRUSA-N 0 0 345.399 3.257 10 5 EGBERN CSC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453245180 310266463 /nfs/dbraw/zinc/26/64/63/310266463.db2.gz ZZYKTZAUCHNBKH-UHFFFAOYSA-N 0 0 332.385 3.355 10 5 EGBERN CC(=Cc1nc(-c2n[nH]c(C3CC3)n2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000453288270 310269160 /nfs/dbraw/zinc/26/91/60/310269160.db2.gz QTAYLDZDWQSEFO-CMDGGOBGSA-N 0 0 338.327 3.201 10 5 EGBERN Cc1cc(C)n([C@@H](C)c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)n1 ZINC000453290344 310269340 /nfs/dbraw/zinc/26/93/40/310269340.db2.gz MYGFDJVDXROYMU-LBPRGKRZSA-N 0 0 327.344 3.376 10 5 EGBERN COC(=O)c1cc(NC(=O)NC2(C3(C)CC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000455278936 310353610 /nfs/dbraw/zinc/35/36/10/310353610.db2.gz UVLMOHQTJWCXCV-UHFFFAOYSA-N 0 0 347.371 3.144 10 5 EGBERN Cc1nnsc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455409275 310359477 /nfs/dbraw/zinc/35/94/77/310359477.db2.gz HKQRABOWWZDAQL-UHFFFAOYSA-N 0 0 349.416 3.374 10 5 EGBERN Cc1c(CNC(=O)Nc2cccc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000455621017 310369876 /nfs/dbraw/zinc/36/98/76/310369876.db2.gz HJYKZZFSFYVGJT-UHFFFAOYSA-N 0 0 326.356 3.497 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C2CC2)n1 ZINC000455652620 310371373 /nfs/dbraw/zinc/37/13/73/310371373.db2.gz XRMARUHYIZTMFJ-UHFFFAOYSA-N 0 0 341.371 3.101 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456280182 310396261 /nfs/dbraw/zinc/39/62/61/310396261.db2.gz MVOCSBQXGCEWLE-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN CN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000456586005 310413534 /nfs/dbraw/zinc/41/35/34/310413534.db2.gz ALPXGZIHBQDDCX-KRWDZBQOSA-N 0 0 339.395 3.225 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C2(C)CC2)CC1 ZINC000456654555 310416409 /nfs/dbraw/zinc/41/64/09/310416409.db2.gz XNKUHPMJERONHV-SNVBAGLBSA-N 0 0 338.791 3.464 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000456805392 310423231 /nfs/dbraw/zinc/42/32/31/310423231.db2.gz WPXWRFSCXMLKJS-NWDGAFQWSA-N 0 0 334.372 3.032 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1(O)CCCC1 ZINC000456855276 310425853 /nfs/dbraw/zinc/42/58/53/310425853.db2.gz GKBGQKOOIKTCBG-UHFFFAOYSA-N 0 0 345.399 3.137 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000457041177 310433776 /nfs/dbraw/zinc/43/37/76/310433776.db2.gz OUGFALHUOFRGNW-LBPRGKRZSA-N 0 0 338.429 3.205 10 5 EGBERN COC1CCC(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000458064717 310484771 /nfs/dbraw/zinc/48/47/71/310484771.db2.gz NJPZKJDWYSKBNP-UHFFFAOYSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000458820239 310522127 /nfs/dbraw/zinc/52/21/27/310522127.db2.gz RKTZATTWQTZKBR-HDJSIYSDSA-N 0 0 349.435 3.107 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C(C)C ZINC000460169974 310580417 /nfs/dbraw/zinc/58/04/17/310580417.db2.gz RMUMGINOGZTORC-HNNXBMFYSA-N 0 0 329.404 3.498 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000465744339 310637093 /nfs/dbraw/zinc/63/70/93/310637093.db2.gz CNDXTANOBJXYBN-IAGOWNOFSA-N 0 0 331.416 3.405 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000470062250 310715994 /nfs/dbraw/zinc/71/59/94/310715994.db2.gz ZRTSLPFIYAGFSJ-UHFFFAOYSA-N 0 0 341.411 3.306 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000473522510 310776272 /nfs/dbraw/zinc/77/62/72/310776272.db2.gz HZJVGQDXWTXXNB-UHFFFAOYSA-N 0 0 340.713 3.499 10 5 EGBERN COc1c(C(=O)NC[C@H](C)c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000476095933 310822278 /nfs/dbraw/zinc/82/22/78/310822278.db2.gz JTIRNDUCRUKRGK-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN COc1cccc2c1CCN(c1cc(OC)c([N+](=O)[O-])cc1F)CC2 ZINC000486481422 310993314 /nfs/dbraw/zinc/99/33/14/310993314.db2.gz UEVWTVNWKWEHMD-UHFFFAOYSA-N 0 0 346.358 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1C ZINC000486701585 310997443 /nfs/dbraw/zinc/99/74/43/310997443.db2.gz LNEQCCAYNAQQMD-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN Nc1nc(N[C@H]2CCCc3sc(Cl)cc32)ncc1[N+](=O)[O-] ZINC000488755208 311078662 /nfs/dbraw/zinc/07/86/62/311078662.db2.gz XDECVQVQROKCBK-ZETCQYMHSA-N 0 0 325.781 3.002 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccco3)cc2F)n1 ZINC000489364308 311102024 /nfs/dbraw/zinc/10/20/24/311102024.db2.gz MISNRSVAWSYPKR-UHFFFAOYSA-N 0 0 344.302 3.463 10 5 EGBERN CC(C)C1(C)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000492254485 311230458 /nfs/dbraw/zinc/23/04/58/311230458.db2.gz BEZRIPWMZXOLIZ-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000497992784 311872444 /nfs/dbraw/zinc/87/24/44/311872444.db2.gz IGRVNGLGBIFNQT-ZBFHGGJFSA-N 0 0 348.443 3.128 10 5 EGBERN C[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504300129 312003268 /nfs/dbraw/zinc/00/32/68/312003268.db2.gz UPJGVGWCCBUIJH-NWDGAFQWSA-N 0 0 344.342 3.479 10 5 EGBERN COc1ccc(CNc2nc3c(cccc3Cl)[nH]2)cc1[N+](=O)[O-] ZINC000508471621 312095282 /nfs/dbraw/zinc/09/52/82/312095282.db2.gz DMGGKAZZCIPFAP-UHFFFAOYSA-N 0 0 332.747 3.167 10 5 EGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H]1CCc2ccccc2C1 ZINC000513639956 312214284 /nfs/dbraw/zinc/21/42/84/312214284.db2.gz HVLOYBAXKFPBOV-CYBMUJFWSA-N 0 0 335.363 3.110 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(CO)(c2ccccc2)CC1 ZINC000514739120 312243117 /nfs/dbraw/zinc/24/31/17/312243117.db2.gz OFVWWUQDQCKZKZ-UHFFFAOYSA-N 0 0 342.395 3.134 10 5 EGBERN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1nccc(C(F)(F)F)n1 ZINC000514797835 312246032 /nfs/dbraw/zinc/24/60/32/312246032.db2.gz FFFJKKWTVKOOSW-NSHDSACASA-N 0 0 338.289 3.181 10 5 EGBERN CC1(C2CC2)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000514832356 312247874 /nfs/dbraw/zinc/24/78/74/312247874.db2.gz KZLMLESDSSJSTE-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@]3(CCCOC3)C1)CCCC2 ZINC000515056713 312263428 /nfs/dbraw/zinc/26/34/28/312263428.db2.gz OCSMYDLEHBNKBW-SFHVURJKSA-N 0 0 331.416 3.266 10 5 EGBERN COC(=O)c1cc(NC(=O)C[C@H](C)n2cccc2)c(C)c([N+](=O)[O-])c1 ZINC000519680026 312470031 /nfs/dbraw/zinc/47/00/31/312470031.db2.gz XPPGWSGARMPDPI-NSHDSACASA-N 0 0 345.355 3.081 10 5 EGBERN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000522343782 312587073 /nfs/dbraw/zinc/58/70/73/312587073.db2.gz IYDUHQVKYWEXHG-GFCCVEGCSA-N 0 0 328.372 3.255 10 5 EGBERN CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000522557782 312592520 /nfs/dbraw/zinc/59/25/20/312592520.db2.gz FSBSTTSRYCBHQG-NSHDSACASA-N 0 0 346.474 3.493 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000525041134 312693508 /nfs/dbraw/zinc/69/35/08/312693508.db2.gz FWBSCPNLVRJSTN-APWZRJJASA-N 0 0 340.379 3.372 10 5 EGBERN CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531630236 313693297 /nfs/dbraw/zinc/69/32/97/313693297.db2.gz CBQBPSXIRXIIRJ-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000531882877 313726283 /nfs/dbraw/zinc/72/62/83/313726283.db2.gz ULOQMDJTYBYBDL-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000536156550 314097050 /nfs/dbraw/zinc/09/70/50/314097050.db2.gz XLRWJROTYRSDIE-UHFFFAOYSA-N 0 0 348.424 3.239 10 5 EGBERN CCOC(=O)c1ccnc(Nc2cccc(N(C)C)c2C)c1[N+](=O)[O-] ZINC000538292303 314237931 /nfs/dbraw/zinc/23/79/31/314237931.db2.gz LANVRNPLKLEJNC-UHFFFAOYSA-N 0 0 344.371 3.285 10 5 EGBERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000539348292 314308237 /nfs/dbraw/zinc/30/82/37/314308237.db2.gz CPXOKNCDBBFRBU-FZKQIMNGSA-N 0 0 340.379 3.393 10 5 EGBERN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000543139488 314606989 /nfs/dbraw/zinc/60/69/89/314606989.db2.gz FHQWEYUTDFOKNI-INIZCTEOSA-N 0 0 348.374 3.389 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000543977127 314665580 /nfs/dbraw/zinc/66/55/80/314665580.db2.gz HNZZXSKNXCLPRR-ZDUSSCGKSA-N 0 0 341.367 3.260 10 5 EGBERN C[C@H]1CCC[C@H](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000544721707 314713683 /nfs/dbraw/zinc/71/36/83/314713683.db2.gz NIYNBZKETWKIFU-UONOGXRCSA-N 0 0 340.445 3.231 10 5 EGBERN CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000545196070 314740761 /nfs/dbraw/zinc/74/07/61/314740761.db2.gz HUNHBLZDJMQPJU-UHFFFAOYSA-N 0 0 345.399 3.218 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000545869965 314786688 /nfs/dbraw/zinc/78/66/88/314786688.db2.gz INYOVUYCBPJSDX-CQSZACIVSA-N 0 0 347.371 3.004 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C(=O)c2ccc(F)cc2)n1 ZINC000547102562 314874717 /nfs/dbraw/zinc/87/47/17/314874717.db2.gz ANKBUUPIXKOAPK-UHFFFAOYSA-N 0 0 327.271 3.323 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CSCc3ccccc3)no2)nc1 ZINC000547154718 314877292 /nfs/dbraw/zinc/87/72/92/314877292.db2.gz HFYOKBPQPQAUKX-UHFFFAOYSA-N 0 0 328.353 3.473 10 5 EGBERN Cc1c(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000548070106 314967616 /nfs/dbraw/zinc/96/76/16/314967616.db2.gz JYZNNIXNIACBPW-UHFFFAOYSA-N 0 0 330.388 3.032 10 5 EGBERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC000548747769 315042765 /nfs/dbraw/zinc/04/27/65/315042765.db2.gz AVHZNJRSMFNADQ-MFKMUULPSA-N 0 0 332.360 3.087 10 5 EGBERN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000548880371 315058160 /nfs/dbraw/zinc/05/81/60/315058160.db2.gz HWYRDMAAXVOXMU-UHFFFAOYSA-N 0 0 338.713 3.495 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C2CC2)C1 ZINC000549360247 315088650 /nfs/dbraw/zinc/08/86/50/315088650.db2.gz KQJQKHVKCSWKDE-AWEZNQCLSA-N 0 0 327.388 3.110 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2Nc2cccc(CCCO)c2)s1 ZINC000553496720 315266649 /nfs/dbraw/zinc/26/66/49/315266649.db2.gz DTTRKVHGAISJIO-UHFFFAOYSA-N 0 0 330.369 3.268 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555167861 315370313 /nfs/dbraw/zinc/37/03/13/315370313.db2.gz MPFNQZLHAOMBNX-UWVGGRQHSA-N 0 0 345.321 3.378 10 5 EGBERN Cc1cc(=NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000555747529 315400947 /nfs/dbraw/zinc/40/09/47/315400947.db2.gz DJCVZPIGGGPHTP-OLZOCXBDSA-N 0 0 342.399 3.235 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000557689919 315528238 /nfs/dbraw/zinc/52/82/38/315528238.db2.gz FXKYNICMFHTAKX-GOSISDBHSA-N 0 0 344.342 3.071 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000558518332 315575907 /nfs/dbraw/zinc/57/59/07/315575907.db2.gz RMHBJFNJLJYYAA-UHFFFAOYSA-N 0 0 336.351 3.175 10 5 EGBERN Cc1c(CN(C)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cnn1C ZINC000560011932 315654605 /nfs/dbraw/zinc/65/46/05/315654605.db2.gz QWZPVBCENFYHIM-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(C)C)C1(CO)CCCC1 ZINC000563403974 316015726 /nfs/dbraw/zinc/01/57/26/316015726.db2.gz SFZMUMQLRHEJKE-MRXNPFEDSA-N 0 0 334.416 3.210 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(F)CCC2)c(F)c1N1CCOCC1 ZINC000563637412 316050724 /nfs/dbraw/zinc/05/07/24/316050724.db2.gz SYFZQICFKJOBPW-UHFFFAOYSA-N 0 0 341.358 3.265 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC([C@@H]3CCCO3)CC1)CCCC2 ZINC000564323564 316137415 /nfs/dbraw/zinc/13/74/15/316137415.db2.gz SIPOHFFGNGNTDZ-KRWDZBQOSA-N 0 0 331.416 3.264 10 5 EGBERN Cc1nc2[nH]ccc2c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000565736786 316363833 /nfs/dbraw/zinc/36/38/33/316363833.db2.gz JCAWJFURCLRANO-UHFFFAOYSA-N 0 0 336.355 3.262 10 5 EGBERN COc1ccc(CSCC(=O)N[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000566320096 316456098 /nfs/dbraw/zinc/45/60/98/316456098.db2.gz MEOZMRFPAVTWIN-LLVKDONJSA-N 0 0 340.445 3.387 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000566773014 316523951 /nfs/dbraw/zinc/52/39/51/316523951.db2.gz GAPYPTBXKFEOIP-AWEZNQCLSA-N 0 0 329.356 3.063 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000567412465 316614034 /nfs/dbraw/zinc/61/40/34/316614034.db2.gz BVBQLVCWILNZSN-QWHCGFSZSA-N 0 0 344.415 3.306 10 5 EGBERN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1nccn1CC(F)(F)F ZINC000569018986 316855704 /nfs/dbraw/zinc/85/57/04/316855704.db2.gz GKTNMAQKSNZALV-LBPRGKRZSA-N 0 0 340.305 3.131 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000570959234 317132792 /nfs/dbraw/zinc/13/27/92/317132792.db2.gz YETYESWMKUPUIN-NWDGAFQWSA-N 0 0 340.387 3.343 10 5 EGBERN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000571474635 317204273 /nfs/dbraw/zinc/20/42/73/317204273.db2.gz ZDWACWSDLQTTIY-UHFFFAOYSA-N 0 0 325.368 3.275 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CSc2ccccc2O1 ZINC000571877617 317261089 /nfs/dbraw/zinc/26/10/89/317261089.db2.gz KAWFRRRBMYEILL-NSHDSACASA-N 0 0 334.401 3.085 10 5 EGBERN C[C@H]1CCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572557008 317355572 /nfs/dbraw/zinc/35/55/72/317355572.db2.gz DSQYBGIBILYORS-XHDPSFHLSA-N 0 0 330.388 3.106 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000573006931 317424341 /nfs/dbraw/zinc/42/43/41/317424341.db2.gz SVWDGPWHWMHUTQ-NJZAAPMLSA-N 0 0 337.420 3.061 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000182301200 323541445 /nfs/dbraw/zinc/54/14/45/323541445.db2.gz RMKDMOIZKZMKAS-HNNXBMFYSA-N 0 0 339.395 3.304 10 5 EGBERN COC(=O)c1cc(NCCC[C@H]2CCCCO2)cc(C)c1[N+](=O)[O-] ZINC000186079538 323722481 /nfs/dbraw/zinc/72/24/81/323722481.db2.gz FHWOVTZRNLSXQR-CQSZACIVSA-N 0 0 336.388 3.451 10 5 EGBERN COc1cc(C)ccc1-c1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000350558572 324090012 /nfs/dbraw/zinc/09/00/12/324090012.db2.gz YJGJOONYUWDMLI-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cncs3)no2)ccc1NC1CC1 ZINC000350906307 324137189 /nfs/dbraw/zinc/13/71/89/324137189.db2.gz IFWISQLRUXUCFX-UHFFFAOYSA-N 0 0 329.341 3.343 10 5 EGBERN COc1cnccc1-c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350922886 324139924 /nfs/dbraw/zinc/13/99/24/324139924.db2.gz KFABZABSUCXRFR-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN Cc1c(CN2CCN(CC(F)(F)F)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000451876880 324346873 /nfs/dbraw/zinc/34/68/73/324346873.db2.gz ZDLFABQBQNUIDW-GFCCVEGCSA-N 0 0 345.365 3.219 10 5 EGBERN CC(C)(C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580249651 325223246 /nfs/dbraw/zinc/22/32/46/325223246.db2.gz IXDUACQFLRYVQH-UHFFFAOYSA-N 0 0 332.404 3.354 10 5 EGBERN CCOC(=O)C1CCC(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000580895198 325306761 /nfs/dbraw/zinc/30/67/61/325306761.db2.gz UEQSSDYWXMAREV-UHFFFAOYSA-N 0 0 334.372 3.293 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCO[C@@]2(CCSC2)C1 ZINC000580949265 325313336 /nfs/dbraw/zinc/31/33/36/325313336.db2.gz GYJJGPDJRNECQA-ZDUSSCGKSA-N 0 0 348.346 3.326 10 5 EGBERN COC(=O)Cc1ccccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583180856 325501275 /nfs/dbraw/zinc/50/12/75/325501275.db2.gz SYQVDODGWZURLC-GFCCVEGCSA-N 0 0 342.351 3.053 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(C(F)(F)F)CC1 ZINC000347416133 457413335 /nfs/dbraw/zinc/41/33/35/457413335.db2.gz HAGYNKHNNSEKIG-UHFFFAOYSA-N 0 0 331.294 3.079 10 5 EGBERN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000189589623 455221666 /nfs/dbraw/zinc/22/16/66/455221666.db2.gz YFVWEUWXHFAJCY-GFCCVEGCSA-N 0 0 345.321 3.109 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000546878131 458682756 /nfs/dbraw/zinc/68/27/56/458682756.db2.gz GMXXOKILBATHQT-SNVBAGLBSA-N 0 0 334.294 3.454 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894409 455245709 /nfs/dbraw/zinc/24/57/09/455245709.db2.gz LSUQPCFNXKYQGS-FVQBIDKESA-N 0 0 340.807 3.017 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2COC[C@H]2C1 ZINC000620149664 460548993 /nfs/dbraw/zinc/54/89/93/460548993.db2.gz CQZCXWROPFIMMK-JKSUJKDBSA-N 0 0 332.403 3.497 10 5 EGBERN CCO[C@H](CSCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600637932 460554859 /nfs/dbraw/zinc/55/48/59/460554859.db2.gz OMXAQCMGJLWIID-OAHLLOKOSA-N 0 0 338.429 3.472 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000173449065 455284669 /nfs/dbraw/zinc/28/46/69/455284669.db2.gz IBPGOZKAUHJFRP-SNVBAGLBSA-N 0 0 336.373 3.140 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000002618950 452706129 /nfs/dbraw/zinc/70/61/29/452706129.db2.gz MAGUSOKLJRRXNZ-SNVBAGLBSA-N 0 0 342.307 3.406 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=N)NC2=O)o1 ZINC000006009409 452915901 /nfs/dbraw/zinc/91/59/01/452915901.db2.gz HLZHUIRXJQVTDE-NTUHNPAUSA-N 0 0 345.336 3.002 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(C(F)(F)F)CCCC1 ZINC000600692417 460571283 /nfs/dbraw/zinc/57/12/83/460571283.db2.gz BXNQIQBGMMDYHJ-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN C[C@@H](Sc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000007339966 453061744 /nfs/dbraw/zinc/06/17/44/453061744.db2.gz OQCRWSVPARLGKQ-LLVKDONJSA-N 0 0 327.369 3.424 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000011035076 453310513 /nfs/dbraw/zinc/31/05/13/453310513.db2.gz NTQGNNXRJCVGHZ-UHFFFAOYSA-N 0 0 334.759 3.286 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C1CC1 ZINC000013021806 453439835 /nfs/dbraw/zinc/43/98/35/453439835.db2.gz ZWYGLTQTIKLHDQ-UHFFFAOYSA-N 0 0 332.381 3.471 10 5 EGBERN Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000014407159 453533587 /nfs/dbraw/zinc/53/35/87/453533587.db2.gz JQFXQQNTDMLXIL-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CO[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000600799167 460609768 /nfs/dbraw/zinc/60/97/68/460609768.db2.gz XHNXPRWJPKEYLO-BJHJDKERSA-N 0 0 338.429 3.250 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600805230 460610781 /nfs/dbraw/zinc/61/07/81/460610781.db2.gz PKHUZRGATPUJHH-DHCBQETCSA-N 0 0 346.383 3.200 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600812260 460613648 /nfs/dbraw/zinc/61/36/48/460613648.db2.gz UXMIRCVZTRRRNF-IBUXWKBASA-N 0 0 346.383 3.184 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc1 ZINC000023296182 453707764 /nfs/dbraw/zinc/70/77/64/453707764.db2.gz VYHVOHLCTRQXOR-OAHLLOKOSA-N 0 0 341.367 3.493 10 5 EGBERN O=C(NCCC1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031419337 453847426 /nfs/dbraw/zinc/84/74/26/453847426.db2.gz OQGMTFGDRMHDQS-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000032277809 453866385 /nfs/dbraw/zinc/86/63/85/453866385.db2.gz LSBYNQADBXHECL-OAHLLOKOSA-N 0 0 341.367 3.366 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067059160 453898203 /nfs/dbraw/zinc/89/82/03/453898203.db2.gz VNJXVLQHKZNZML-SJLPKXTDSA-N 0 0 348.362 3.066 10 5 EGBERN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(F)cc1 ZINC000040086035 453946473 /nfs/dbraw/zinc/94/64/73/453946473.db2.gz SGYOZJSLIZFBPL-UHFFFAOYSA-N 0 0 342.330 3.416 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000067864518 453974506 /nfs/dbraw/zinc/97/45/06/453974506.db2.gz SQPZQLRCDGTOBJ-SNVBAGLBSA-N 0 0 346.412 3.425 10 5 EGBERN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000068186998 454006334 /nfs/dbraw/zinc/00/63/34/454006334.db2.gz UXKXHEMGHWHSDT-UHFFFAOYSA-N 0 0 346.358 3.207 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000076510446 454010480 /nfs/dbraw/zinc/01/04/80/454010480.db2.gz BFQMXWHTMXFKQW-UHFFFAOYSA-N 0 0 345.399 3.025 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068400993 454023037 /nfs/dbraw/zinc/02/30/37/454023037.db2.gz NFCMKZYWHCVZBA-KWOWKCNFSA-N 0 0 329.400 3.315 10 5 EGBERN CN1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000056047877 454034959 /nfs/dbraw/zinc/03/49/59/454034959.db2.gz ALRXWTWKTWDOCV-LLVKDONJSA-N 0 0 331.397 3.010 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000086015066 454041320 /nfs/dbraw/zinc/04/13/20/454041320.db2.gz MGLPLKIZMRPYKK-ZANVPECISA-N 0 0 329.194 3.320 10 5 EGBERN CCc1noc(CCCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000056199702 454044210 /nfs/dbraw/zinc/04/42/10/454044210.db2.gz NZLBQAFUQXSCJX-GFCCVEGCSA-N 0 0 346.387 3.083 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000069082359 454077661 /nfs/dbraw/zinc/07/76/61/454077661.db2.gz PTQOUCXSVSGBQR-UHFFFAOYSA-N 0 0 345.374 3.208 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077330178 454092767 /nfs/dbraw/zinc/09/27/67/454092767.db2.gz VLYBEXKBQJWHAA-OAHLLOKOSA-N 0 0 340.335 3.301 10 5 EGBERN C[C@@H](CC[C@@H]1CCCO1)NC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000069415816 454102670 /nfs/dbraw/zinc/10/26/70/454102670.db2.gz FSAGSSRDFNASKU-BBRMVZONSA-N 0 0 349.431 3.249 10 5 EGBERN CCCC(CCC)N1Cc2c(cc([N+](=O)[O-])cc2C(=O)OC)C1=O ZINC000089211150 454126521 /nfs/dbraw/zinc/12/65/21/454126521.db2.gz UNEOEKGAKJIUON-UHFFFAOYSA-N 0 0 334.372 3.306 10 5 EGBERN O=C(NCc1cn2cc(Cl)ccc2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045310744 454151972 /nfs/dbraw/zinc/15/19/72/454151972.db2.gz ZKEBBEKZSVKKKJ-UHFFFAOYSA-N 0 0 345.746 3.218 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C[NH+]2CCCC2)c1 ZINC000089531356 454160394 /nfs/dbraw/zinc/16/03/94/454160394.db2.gz NLEMJPAPCDRPEM-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN CN(c1cccc2ncccc21)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000089640370 454171771 /nfs/dbraw/zinc/17/17/71/454171771.db2.gz RXTYILSDLIDOEQ-UHFFFAOYSA-N 0 0 349.393 3.030 10 5 EGBERN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000077995039 454175141 /nfs/dbraw/zinc/17/51/41/454175141.db2.gz WPWYWFKQZJVMPG-ZDUSSCGKSA-N 0 0 329.331 3.228 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000070903598 454183922 /nfs/dbraw/zinc/18/39/22/454183922.db2.gz GLODUWHIGXMNMG-ZDUSSCGKSA-N 0 0 344.367 3.191 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1NC1CC1 ZINC000119461740 454196791 /nfs/dbraw/zinc/19/67/91/454196791.db2.gz YPRSLZIGMGPDPA-UHFFFAOYSA-N 0 0 330.319 3.264 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000089835103 454212623 /nfs/dbraw/zinc/21/26/23/454212623.db2.gz BTUIQCIEYJOJOV-CABCVRRESA-N 0 0 346.333 3.335 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000089835849 454213171 /nfs/dbraw/zinc/21/31/71/454213171.db2.gz GVDAOTDDHOJNIU-ZIAGYGMSSA-N 0 0 346.333 3.335 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000130982363 454229499 /nfs/dbraw/zinc/22/94/99/454229499.db2.gz YZCLLQZAYHICIC-JTQLQIEISA-N 0 0 334.351 3.209 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000089947861 454243598 /nfs/dbraw/zinc/24/35/98/454243598.db2.gz MAONZEFUXWJVBH-MRXNPFEDSA-N 0 0 328.372 3.283 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC000078420695 454250732 /nfs/dbraw/zinc/25/07/32/454250732.db2.gz CIGCNAZIPOLBAN-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnc2ccccc2n1 ZINC000089999457 454257811 /nfs/dbraw/zinc/25/78/11/454257811.db2.gz BTIKUEKMIAEUKK-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090068256 454271619 /nfs/dbraw/zinc/27/16/19/454271619.db2.gz KTSZGEBZZACINT-UHFFFAOYSA-N 0 0 342.399 3.008 10 5 EGBERN CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000072274402 454281191 /nfs/dbraw/zinc/28/11/91/454281191.db2.gz GVSHWAORVMLJEN-UHFFFAOYSA-N 0 0 331.303 3.335 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090553489 454321033 /nfs/dbraw/zinc/32/10/33/454321033.db2.gz CCOGOYBJXZUHMU-JKSUJKDBSA-N 0 0 341.367 3.479 10 5 EGBERN CC[C@]1(c2ccccc2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000047171378 454335898 /nfs/dbraw/zinc/33/58/98/454335898.db2.gz HTZWBNUYOINNTK-MRXNPFEDSA-N 0 0 345.380 3.014 10 5 EGBERN C[C@H]1C(=O)N(Cc2csc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000047172292 454336043 /nfs/dbraw/zinc/33/60/43/454336043.db2.gz CIYPHDYYBLXOEA-JTQLQIEISA-N 0 0 331.353 3.014 10 5 EGBERN Cc1c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000047355770 454362753 /nfs/dbraw/zinc/36/27/53/454362753.db2.gz CCPQGPATPANNKR-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN CC(C)CC[C@@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133109995 454392675 /nfs/dbraw/zinc/39/26/75/454392675.db2.gz CXUZSMHKVZBYOU-ZDUSSCGKSA-N 0 0 330.388 3.008 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000097163074 454419243 /nfs/dbraw/zinc/41/92/43/454419243.db2.gz SYPPVQPCYIHRAI-SUMWQHHRSA-N 0 0 333.388 3.062 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cn2cccn2)no1 ZINC000073342411 454424305 /nfs/dbraw/zinc/42/43/05/454424305.db2.gz LLNOOUBTOXKLDC-JTQLQIEISA-N 0 0 331.357 3.076 10 5 EGBERN COC(=O)c1cc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])oc1C ZINC000091429423 454434363 /nfs/dbraw/zinc/43/43/63/454434363.db2.gz VELHWQDFOAVTIX-UHFFFAOYSA-N 0 0 338.291 3.043 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000121460658 454438313 /nfs/dbraw/zinc/43/83/13/454438313.db2.gz BAQBWIHUTYZTMJ-INIZCTEOSA-N 0 0 334.416 3.253 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(OCc3ccc(F)cc3)CC2)cn1 ZINC000091669002 454453939 /nfs/dbraw/zinc/45/39/39/454453939.db2.gz PMXFLZDOYYUGEP-UHFFFAOYSA-N 0 0 331.347 3.315 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134056580 454498252 /nfs/dbraw/zinc/49/82/52/454498252.db2.gz AIRDMRZNRWMSNQ-HOTGVXAUSA-N 0 0 332.400 3.405 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134112449 454505025 /nfs/dbraw/zinc/50/50/25/454505025.db2.gz BGJYDVNQIOCFJD-IAGOWNOFSA-N 0 0 346.427 3.334 10 5 EGBERN Cc1c(CC(=O)NCCCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000122051330 454506328 /nfs/dbraw/zinc/50/63/28/454506328.db2.gz UTWCONDBOKBNKO-UHFFFAOYSA-N 0 0 330.359 3.334 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000182162220 455449694 /nfs/dbraw/zinc/44/96/94/455449694.db2.gz LZVTWUBLHDOTHZ-CYBMUJFWSA-N 0 0 339.804 3.278 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000134471623 454547525 /nfs/dbraw/zinc/54/75/25/454547525.db2.gz ZRERQSYRYDWKSH-UKRRQHHQSA-N 0 0 328.372 3.005 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(-c2ccccc2)n1 ZINC000103375866 454551544 /nfs/dbraw/zinc/55/15/44/454551544.db2.gz RXRXIKFFRITKHF-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134566935 454562139 /nfs/dbraw/zinc/56/21/39/454562139.db2.gz RQOHOTLZCLPVIH-IAQYHMDHSA-N 0 0 340.807 3.309 10 5 EGBERN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000080317644 454565698 /nfs/dbraw/zinc/56/56/98/454565698.db2.gz GBINEYYUWSWDTK-CQSZACIVSA-N 0 0 342.399 3.036 10 5 EGBERN COc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000065814814 454627689 /nfs/dbraw/zinc/62/76/89/454627689.db2.gz FRLPEEAMJWIVDW-DOOHLRMFSA-N 0 0 330.384 3.254 10 5 EGBERN Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ncc1[N+](=O)[O-] ZINC000074747489 454629501 /nfs/dbraw/zinc/62/95/01/454629501.db2.gz JSTLPQPRAMPCMN-CYBMUJFWSA-N 0 0 327.340 3.368 10 5 EGBERN CN(OCc1ccccc1)c1ncc([N+](=O)[O-])cc1Br ZINC000092826218 454643009 /nfs/dbraw/zinc/64/30/09/454643009.db2.gz ARWALYPMTPBTPI-UHFFFAOYSA-N 0 0 338.161 3.320 10 5 EGBERN Cc1ncsc1-c1nc(COc2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000135352276 454666453 /nfs/dbraw/zinc/66/64/53/454666453.db2.gz HAQOGKYXKVSFHN-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151731 454765472 /nfs/dbraw/zinc/76/54/72/454765472.db2.gz ZQLBHBSLWCSEIB-CPUCHLNUSA-N 0 0 345.443 3.036 10 5 EGBERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162945628 454811426 /nfs/dbraw/zinc/81/14/26/454811426.db2.gz QPFDTYIUCLWPLB-UHFFFAOYSA-N 0 0 345.403 3.008 10 5 EGBERN CCOc1cc([C@H](O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000148938097 454873099 /nfs/dbraw/zinc/87/30/99/454873099.db2.gz GIWYKKFRRKUQJX-QGZVFWFLSA-N 0 0 333.340 3.092 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000165695032 454902633 /nfs/dbraw/zinc/90/26/33/454902633.db2.gz JJZOQXOPYJBOGN-IAQYHMDHSA-N 0 0 327.340 3.281 10 5 EGBERN CC[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177814019 454909494 /nfs/dbraw/zinc/90/94/94/454909494.db2.gz IWKBWPTWIJQERX-DOTOQJQBSA-N 0 0 344.342 3.305 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)c2ccccc2)n1 ZINC000191469429 455487901 /nfs/dbraw/zinc/48/79/01/455487901.db2.gz YVHIIUZBUALWJV-AWEZNQCLSA-N 0 0 330.388 3.328 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154919563 454942503 /nfs/dbraw/zinc/94/25/03/454942503.db2.gz BODUQPHCKLJMBN-SNVBAGLBSA-N 0 0 348.378 3.485 10 5 EGBERN CCCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c(C)c1 ZINC000191564228 455497499 /nfs/dbraw/zinc/49/74/99/455497499.db2.gz LYUOJYOHZVFBSY-UHFFFAOYSA-N 0 0 332.360 3.161 10 5 EGBERN COc1cc(C(=O)NCCCC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000127865270 455004568 /nfs/dbraw/zinc/00/45/68/455004568.db2.gz BOONFFXRFBNQPV-UHFFFAOYSA-N 0 0 344.314 3.125 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115395594 455014050 /nfs/dbraw/zinc/01/40/50/455014050.db2.gz WPUWERHBIQIVFT-UHFFFAOYSA-N 0 0 339.351 3.378 10 5 EGBERN CCCn1c(=O)[nH]nc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115964084 455036386 /nfs/dbraw/zinc/03/63/86/455036386.db2.gz KDNWIWRPWBOOBP-UHFFFAOYSA-N 0 0 328.781 3.248 10 5 EGBERN C[C@H](C(=O)N1CC(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612553738 460658187 /nfs/dbraw/zinc/65/81/87/460658187.db2.gz XEXSEECSMDNLBU-QMMMGPOBSA-N 0 0 334.269 3.248 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccccc2OCC(F)(F)F)c1=O ZINC000155809929 455047912 /nfs/dbraw/zinc/04/79/12/455047912.db2.gz GOAGSMROKBCSLG-UHFFFAOYSA-N 0 0 342.273 3.054 10 5 EGBERN CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1C(=O)OC)OCC ZINC000116447770 455057192 /nfs/dbraw/zinc/05/71/92/455057192.db2.gz JXAKOPSRZBYALC-UHFFFAOYSA-N 0 0 331.261 3.148 10 5 EGBERN CO[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000612566637 460663631 /nfs/dbraw/zinc/66/36/31/460663631.db2.gz QLYDFVBBQLKQTJ-SNVBAGLBSA-N 0 0 346.305 3.255 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129857368 455129833 /nfs/dbraw/zinc/12/98/33/455129833.db2.gz GDTFVRZEWVHFLA-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177906 455132462 /nfs/dbraw/zinc/13/24/62/455132462.db2.gz YGEMOWZLSXONCC-CYBMUJFWSA-N 0 0 339.823 3.129 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177910 455132674 /nfs/dbraw/zinc/13/26/74/455132674.db2.gz YGEMOWZLSXONCC-ZDUSSCGKSA-N 0 0 339.823 3.129 10 5 EGBERN COCc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000130042699 455139951 /nfs/dbraw/zinc/13/99/51/455139951.db2.gz ZNGAJJATOUYMMU-UHFFFAOYSA-N 0 0 325.324 3.475 10 5 EGBERN C[C@@H](C1CC1)n1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000189336441 455178914 /nfs/dbraw/zinc/17/89/14/455178914.db2.gz TUFIXFFJKPSFFZ-JTQLQIEISA-N 0 0 339.355 3.496 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000173594770 455313251 /nfs/dbraw/zinc/31/32/51/455313251.db2.gz XWEKQXSPPKGJFM-CQSZACIVSA-N 0 0 344.371 3.007 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(Cl)cn1 ZINC000182143419 455445588 /nfs/dbraw/zinc/44/55/88/455445588.db2.gz REWNKMKXCOIKLU-UHFFFAOYSA-N 0 0 340.166 3.156 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000191526574 455493802 /nfs/dbraw/zinc/49/38/02/455493802.db2.gz DFSDXHZBKZRPKQ-ZETCQYMHSA-N 0 0 328.781 3.017 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000246460440 455494455 /nfs/dbraw/zinc/49/44/55/455494455.db2.gz NBSWRGRVAJEZPX-LZWOXQAQSA-N 0 0 348.399 3.142 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000612607005 460676959 /nfs/dbraw/zinc/67/69/59/460676959.db2.gz LCEJCVVVBFITOH-INIZCTEOSA-N 0 0 325.324 3.046 10 5 EGBERN CO[C@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1ccccc1 ZINC000182637579 455558238 /nfs/dbraw/zinc/55/82/38/455558238.db2.gz VPYDQZLVIOOGQW-PXAZEXFGSA-N 0 0 326.352 3.260 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000185600216 455583585 /nfs/dbraw/zinc/58/35/85/455583585.db2.gz MNOVJYDYBDFPBM-UKRRQHHQSA-N 0 0 337.420 3.013 10 5 EGBERN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271375844 455615754 /nfs/dbraw/zinc/61/57/54/455615754.db2.gz IUKSDTMHTKSWBR-CXAGYDPISA-N 0 0 342.399 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000268215331 455620846 /nfs/dbraw/zinc/62/08/46/455620846.db2.gz LAWXLSMKYITDNU-ZDUSSCGKSA-N 0 0 342.351 3.374 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c(C)csc32)c1 ZINC000192500043 455630634 /nfs/dbraw/zinc/63/06/34/455630634.db2.gz CFDAUQWANKXDGX-UHFFFAOYSA-N 0 0 345.336 3.487 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000277921523 455708587 /nfs/dbraw/zinc/70/85/87/455708587.db2.gz DVPGSQDIGJCUNP-SECBINFHSA-N 0 0 347.293 3.410 10 5 EGBERN C[C@@H](NC(=O)NCC1(O)CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271673867 455719056 /nfs/dbraw/zinc/71/90/56/455719056.db2.gz AKEVTLDAYDSKOU-CYBMUJFWSA-N 0 0 335.404 3.040 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000277961987 455720794 /nfs/dbraw/zinc/72/07/94/455720794.db2.gz KRVFBHCXPXVTQL-NSHDSACASA-N 0 0 328.796 3.084 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000193802636 455778131 /nfs/dbraw/zinc/77/81/31/455778131.db2.gz GLQATURSDVTOBD-ZDUSSCGKSA-N 0 0 341.367 3.061 10 5 EGBERN C[C@@]1(O)CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278183683 455781264 /nfs/dbraw/zinc/78/12/64/455781264.db2.gz ZZXZZMPCESOXQZ-HXUWFJFHSA-N 0 0 336.391 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000194027748 455792533 /nfs/dbraw/zinc/79/25/33/455792533.db2.gz UYOLRTITXWKJEQ-OAHLLOKOSA-N 0 0 349.368 3.138 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000251984387 455800731 /nfs/dbraw/zinc/80/07/31/455800731.db2.gz VOCYRRZQRCMGIO-RCBQFDQVSA-N 0 0 335.404 3.112 10 5 EGBERN CO[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000252005471 455802377 /nfs/dbraw/zinc/80/23/77/455802377.db2.gz WYZHLMZHRJDZAQ-SLEUVZQESA-N 0 0 346.387 3.063 10 5 EGBERN COc1cccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000194486512 455849464 /nfs/dbraw/zinc/84/94/64/455849464.db2.gz DYZZTKDHBIKVSP-CQSZACIVSA-N 0 0 348.399 3.167 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000188207497 456021882 /nfs/dbraw/zinc/02/18/82/456021882.db2.gz LHGXJIHJBJCSDV-OAHLLOKOSA-N 0 0 347.415 3.226 10 5 EGBERN CCc1n[nH]c(C(=O)N(Cc2ccco2)C2CCCC2)c1[N+](=O)[O-] ZINC000188257539 456030590 /nfs/dbraw/zinc/03/05/90/456030590.db2.gz NNQCOCYNOBPFCP-UHFFFAOYSA-N 0 0 332.360 3.058 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C2CC2)n1 ZINC000296791681 456038642 /nfs/dbraw/zinc/03/86/42/456038642.db2.gz GXIIPLIJDNOTQB-UHFFFAOYSA-N 0 0 342.355 3.198 10 5 EGBERN CC[NH+](CC)Cc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000280748808 456044877 /nfs/dbraw/zinc/04/48/77/456044877.db2.gz KGZJIVVRWIZVQB-UHFFFAOYSA-N 0 0 343.383 3.395 10 5 EGBERN CCCC(=O)Nc1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601104869 460711877 /nfs/dbraw/zinc/71/18/77/460711877.db2.gz JWOGRYXCJNGMMO-UHFFFAOYSA-N 0 0 332.335 3.480 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000601108636 460713652 /nfs/dbraw/zinc/71/36/52/460713652.db2.gz LKCKCLPQCHIBFQ-IXBNRNDTSA-N 0 0 344.337 3.362 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000601100860 460709896 /nfs/dbraw/zinc/70/98/96/460709896.db2.gz DESNNHKMXKIZQM-UHFFFAOYSA-N 0 0 341.346 3.389 10 5 EGBERN Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000225708196 456105105 /nfs/dbraw/zinc/10/51/05/456105105.db2.gz UIELHQBDVFYGID-UHFFFAOYSA-N 0 0 342.323 3.291 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301463588 456121908 /nfs/dbraw/zinc/12/19/08/456121908.db2.gz VRHZULBONAHTTQ-NXEZZACHSA-N 0 0 348.371 3.216 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)c1ccc(F)cc1F ZINC000301481033 456126626 /nfs/dbraw/zinc/12/66/26/456126626.db2.gz WLFDESGYODHXIH-JTQLQIEISA-N 0 0 349.337 3.448 10 5 EGBERN CCc1nc(CN(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cs1 ZINC000601109661 460714857 /nfs/dbraw/zinc/71/48/57/460714857.db2.gz WCYVVPMPEAKXTD-UHFFFAOYSA-N 0 0 349.338 3.002 10 5 EGBERN O=C(c1cncc(Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297140695 456130178 /nfs/dbraw/zinc/13/01/78/456130178.db2.gz NNDWGJBLNFXBPP-UHFFFAOYSA-N 0 0 331.759 3.448 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000281175213 456154530 /nfs/dbraw/zinc/15/45/30/456154530.db2.gz QMCSZCMFCQNMMS-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN COC(=O)c1cc(NCc2ccc(OC)c(F)c2)cc(C)c1[N+](=O)[O-] ZINC000301712473 456193704 /nfs/dbraw/zinc/19/37/04/456193704.db2.gz YJOQCRDLEPPZRX-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1ccc(-n2cccn2)cc1 ZINC000301745730 456205429 /nfs/dbraw/zinc/20/54/29/456205429.db2.gz OOTPSIZPQURGDN-UHFFFAOYSA-N 0 0 343.774 3.484 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301746162 456205559 /nfs/dbraw/zinc/20/55/59/456205559.db2.gz PGNHBLLKCVNSKR-GTNSWQLSSA-N 0 0 343.339 3.331 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000301824829 456224562 /nfs/dbraw/zinc/22/45/62/456224562.db2.gz OACGMKVGQHKOCQ-UHFFFAOYSA-N 0 0 332.268 3.390 10 5 EGBERN CN(Cc1csc2ccccc12)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301854602 456233817 /nfs/dbraw/zinc/23/38/17/456233817.db2.gz YLROBKYDCGTMEC-UHFFFAOYSA-N 0 0 339.380 3.489 10 5 EGBERN CCc1nc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cs1 ZINC000601125840 460721316 /nfs/dbraw/zinc/72/13/16/460721316.db2.gz RJOCQANBXUAYJS-UHFFFAOYSA-N 0 0 345.424 3.352 10 5 EGBERN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988813 456264961 /nfs/dbraw/zinc/26/49/61/456264961.db2.gz LPKWPXILWRGMQA-JTQLQIEISA-N 0 0 331.763 3.488 10 5 EGBERN COc1cc(NC[C@@H]2COC3(CCCCC3)O2)c([N+](=O)[O-])cc1F ZINC000302004590 456267475 /nfs/dbraw/zinc/26/74/75/456267475.db2.gz KJHGTVCNAZQQGQ-LLVKDONJSA-N 0 0 340.351 3.230 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297662833 456272397 /nfs/dbraw/zinc/27/23/97/456272397.db2.gz FHLFPTRUIUMTTK-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000302040355 456274045 /nfs/dbraw/zinc/27/40/45/456274045.db2.gz NKPVUDRDXOSWKF-ZDUSSCGKSA-N 0 0 349.337 3.056 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)c2c(C)noc2C)c1 ZINC000302065345 456278572 /nfs/dbraw/zinc/27/85/72/456278572.db2.gz AOWKUAFBJLPTHG-SECBINFHSA-N 0 0 333.344 3.202 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccccc3)C2)c1 ZINC000302094815 456286238 /nfs/dbraw/zinc/28/62/38/456286238.db2.gz NOPSGMWDFWCMNV-OAHLLOKOSA-N 0 0 326.352 3.375 10 5 EGBERN Cc1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000347663238 456289018 /nfs/dbraw/zinc/28/90/18/456289018.db2.gz FGMKHNIUHDFNMV-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342884656 456294395 /nfs/dbraw/zinc/29/43/95/456294395.db2.gz YFSKFAAFLCOHOD-JTQLQIEISA-N 0 0 339.355 3.496 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912408 456307808 /nfs/dbraw/zinc/30/78/08/456307808.db2.gz PAQOJZUPGQGVOQ-QGZVFWFLSA-N 0 0 336.351 3.352 10 5 EGBERN O=C(Nc1ccc(F)cn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000336882228 456314797 /nfs/dbraw/zinc/31/47/97/456314797.db2.gz FFZATHKIGPTTFL-UHFFFAOYSA-N 0 0 333.322 3.468 10 5 EGBERN CCOc1cccc(N2CC[S@](=O)C(CC)(CC)C2)c1[N+](=O)[O-] ZINC000302216460 456320716 /nfs/dbraw/zinc/32/07/16/456320716.db2.gz IPEXKHOQOFHUOP-QHCPKHFHSA-N 0 0 340.445 3.121 10 5 EGBERN CCOc1cccc(N[C@H]2CCc3nc(C(C)C)nn3C2)c1[N+](=O)[O-] ZINC000302222950 456321526 /nfs/dbraw/zinc/32/15/26/456321526.db2.gz NFKMSIYIICALMM-LBPRGKRZSA-N 0 0 345.403 3.135 10 5 EGBERN C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601142224 460729174 /nfs/dbraw/zinc/72/91/74/460729174.db2.gz NWADTMOWSOYDSB-ZCFIWIBFSA-N 0 0 335.311 3.019 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CCSCC1 ZINC000275919315 456349409 /nfs/dbraw/zinc/34/94/09/456349409.db2.gz XWRVHAFINYGDES-UHFFFAOYSA-N 0 0 328.821 3.430 10 5 EGBERN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1S(C)(=O)=O ZINC000352838719 456354889 /nfs/dbraw/zinc/35/48/89/456354889.db2.gz MJACTYILVDTXSB-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN COC1CCC(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347795177 456371991 /nfs/dbraw/zinc/37/19/91/456371991.db2.gz GUXLIYZTULGOQR-DCBWTQNWSA-N 0 0 338.379 3.159 10 5 EGBERN CSCCCCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601145151 460730835 /nfs/dbraw/zinc/73/08/35/460730835.db2.gz ISEJGWWNJBFDJR-UHFFFAOYSA-N 0 0 326.344 3.292 10 5 EGBERN CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000302681573 456373532 /nfs/dbraw/zinc/37/35/32/456373532.db2.gz SEEGNWGMDNXHEF-GFCCVEGCSA-N 0 0 326.418 3.379 10 5 EGBERN C[C@H](c1ccsc1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601145118 460731097 /nfs/dbraw/zinc/73/10/97/460731097.db2.gz ZXQRQKUZZAJJEW-LLVKDONJSA-N 0 0 336.392 3.074 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000302750843 456391462 /nfs/dbraw/zinc/39/14/62/456391462.db2.gz HBYJOPVXBKFEEW-BXKDBHETSA-N 0 0 349.293 3.023 10 5 EGBERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302815222 456408675 /nfs/dbraw/zinc/40/86/75/456408675.db2.gz KLOUWRAZCSDFKC-QWHCGFSZSA-N 0 0 337.395 3.255 10 5 EGBERN Cc1nc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2o1 ZINC000348075290 456458520 /nfs/dbraw/zinc/45/85/20/456458520.db2.gz PIDYNLQIJLTJOT-UHFFFAOYSA-N 0 0 325.324 3.317 10 5 EGBERN CC(C)[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000348101453 456479610 /nfs/dbraw/zinc/47/96/10/456479610.db2.gz AMDLTDOSOUTOBC-LBPRGKRZSA-N 0 0 329.278 3.393 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(C)cs1 ZINC000348208911 456537474 /nfs/dbraw/zinc/53/74/74/456537474.db2.gz HOPAMUKTWZKXSP-SNVBAGLBSA-N 0 0 335.385 3.249 10 5 EGBERN COC1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000348281388 456594604 /nfs/dbraw/zinc/59/46/04/456594604.db2.gz YWEBDQKFLBPBDN-UHFFFAOYSA-N 0 0 326.418 3.290 10 5 EGBERN Cc1nc(NC(=O)c2ccn(C3CCCCC3)n2)ccc1[N+](=O)[O-] ZINC000348337458 456633376 /nfs/dbraw/zinc/63/33/76/456633376.db2.gz FZIAWOMEYMOWTN-UHFFFAOYSA-N 0 0 329.360 3.252 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 ZINC000326728102 456698628 /nfs/dbraw/zinc/69/86/28/456698628.db2.gz RLHSHMBKJPAXCZ-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN CCOCc1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000291662931 456711908 /nfs/dbraw/zinc/71/19/08/456711908.db2.gz VNKXEVAIZODBJY-SECBINFHSA-N 0 0 340.767 3.019 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)nc1C ZINC000348487406 456712550 /nfs/dbraw/zinc/71/25/50/456712550.db2.gz BLHLMUSGJILDCI-LLVKDONJSA-N 0 0 349.412 3.387 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cc(F)c(C(F)(F)F)cc1F ZINC000340877777 456735000 /nfs/dbraw/zinc/73/50/00/456735000.db2.gz ONWXRZRYNHDYHH-UHFFFAOYSA-N 0 0 333.216 3.321 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291814575 456765319 /nfs/dbraw/zinc/76/53/19/456765319.db2.gz AVNBHTLMKRGITI-INIZCTEOSA-N 0 0 334.416 3.273 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291814578 456765327 /nfs/dbraw/zinc/76/53/27/456765327.db2.gz AVNBHTLMKRGITI-MRXNPFEDSA-N 0 0 334.416 3.273 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCOc4cccc(F)c4C3)nc2c1 ZINC000338320494 456769476 /nfs/dbraw/zinc/76/94/76/456769476.db2.gz QJQVMXMVENZYKR-UHFFFAOYSA-N 0 0 342.330 3.005 10 5 EGBERN CC(C)c1nnc(CNc2c3ccccc3ncc2[N+](=O)[O-])n1C ZINC000291855478 456778514 /nfs/dbraw/zinc/77/85/14/456778514.db2.gz HMYCGDRRKLHENU-UHFFFAOYSA-N 0 0 326.360 3.007 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000301061382 456787161 /nfs/dbraw/zinc/78/71/61/456787161.db2.gz ATQFUTXBUMCHLN-KRWDZBQOSA-N 0 0 341.367 3.211 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C(F)(F)F)n1 ZINC000340973775 456791875 /nfs/dbraw/zinc/79/18/75/456791875.db2.gz MZRKGTNJMGLGIM-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000348637402 456793690 /nfs/dbraw/zinc/79/36/90/456793690.db2.gz WFRKUKHMDFURHJ-CQSZACIVSA-N 0 0 328.368 3.268 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000292011699 456830045 /nfs/dbraw/zinc/83/00/45/456830045.db2.gz SCRDBBAEIVXDGZ-UGSOOPFHSA-N 0 0 327.384 3.274 10 5 EGBERN NC(=O)c1ccc(NCC2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000338487734 456830824 /nfs/dbraw/zinc/83/08/24/456830824.db2.gz QZYCLVRKCKSERC-UHFFFAOYSA-N 0 0 325.368 3.299 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000338490044 456832041 /nfs/dbraw/zinc/83/20/41/456832041.db2.gz BPXPSWWMZHHJLM-SECBINFHSA-N 0 0 334.319 3.237 10 5 EGBERN O=C(Cc1ccc(Cl)c(F)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344526642 456835381 /nfs/dbraw/zinc/83/53/81/456835381.db2.gz HGZFGUHTVNVTMN-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cnc2cnccc2c1 ZINC000341361848 456856096 /nfs/dbraw/zinc/85/60/96/456856096.db2.gz KDRZTQWYVLCUQB-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000292130626 456863099 /nfs/dbraw/zinc/86/30/99/456863099.db2.gz HCRKIANGNCOJNK-ZDUSSCGKSA-N 0 0 343.358 3.051 10 5 EGBERN CS(=O)(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1Cl ZINC000349192029 456908884 /nfs/dbraw/zinc/90/88/84/456908884.db2.gz PSZNCRPYGFCQTE-UHFFFAOYSA-N 0 0 346.817 3.325 10 5 EGBERN O=C(Cc1ccoc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341722129 456914571 /nfs/dbraw/zinc/91/45/71/456914571.db2.gz OINGJUOKZZVXGX-UHFFFAOYSA-N 0 0 325.118 3.132 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC000341787432 456944572 /nfs/dbraw/zinc/94/45/72/456944572.db2.gz YNCZYXSFYFILCI-UHFFFAOYSA-N 0 0 347.396 3.305 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000353937589 456972679 /nfs/dbraw/zinc/97/26/79/456972679.db2.gz LTKDPGCHHGEMGY-UHFFFAOYSA-N 0 0 343.387 3.292 10 5 EGBERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330783374 457085086 /nfs/dbraw/zinc/08/50/86/457085086.db2.gz IDXRILWNKQYNIW-UWVGGRQHSA-N 0 0 328.315 3.314 10 5 EGBERN CCOC(=O)c1cnc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000349873856 457089073 /nfs/dbraw/zinc/08/90/73/457089073.db2.gz MFDCRQGAOWWEBS-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000342120703 457120541 /nfs/dbraw/zinc/12/05/41/457120541.db2.gz CWWLKXOUXBDJQX-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1cc(-n2ccnc2)cs1 ZINC000342133071 457127431 /nfs/dbraw/zinc/12/74/31/457127431.db2.gz JMQNJKOBPSFVKR-UHFFFAOYSA-N 0 0 325.353 3.396 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)c3ccccc3C)no2)n1 ZINC000346759143 457154875 /nfs/dbraw/zinc/15/48/75/457154875.db2.gz YAHAPDTYALQJJD-NSHDSACASA-N 0 0 327.344 3.321 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2(C)CCC2)cc1[N+](=O)[O-] ZINC000342194171 457161608 /nfs/dbraw/zinc/16/16/08/457161608.db2.gz BQGFFMKGECYZAW-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN COc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000347085570 457222549 /nfs/dbraw/zinc/22/25/49/457222549.db2.gz MANLPBNUXNKRAC-APPDUMDISA-N 0 0 326.352 3.267 10 5 EGBERN O=C(NCCCNc1ccccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000342356014 457253249 /nfs/dbraw/zinc/25/32/49/457253249.db2.gz KZJCQMFQYOHJAD-UHFFFAOYSA-N 0 0 332.335 3.358 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000351693811 457314002 /nfs/dbraw/zinc/31/40/02/457314002.db2.gz PMCPLCYUIRLWOT-ORHYLEIMSA-N 0 0 348.399 3.311 10 5 EGBERN C[C@@H](NC(=O)c1cccnc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000342472932 457323493 /nfs/dbraw/zinc/32/34/93/457323493.db2.gz MZTDJFUSXJEBMN-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000340097717 457332706 /nfs/dbraw/zinc/33/27/06/457332706.db2.gz LXGWUDCBLWDMGM-SJLPKXTDSA-N 0 0 335.363 3.291 10 5 EGBERN CC1CC(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000352286178 457354861 /nfs/dbraw/zinc/35/48/61/457354861.db2.gz OSAKSMGFBHTDGG-DNOWBOINSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000378105583 457374826 /nfs/dbraw/zinc/37/48/26/457374826.db2.gz FAPNUEYYCWBPOM-HZPDHXFCSA-N 0 0 330.384 3.077 10 5 EGBERN COc1cc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc(OC)c1O ZINC000357268795 457413067 /nfs/dbraw/zinc/41/30/67/457413067.db2.gz YVNLQYRUEGWEQA-UHFFFAOYSA-N 0 0 346.339 3.132 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000360897780 457418658 /nfs/dbraw/zinc/41/86/58/457418658.db2.gz OSZXQYWMZFEDEB-GHMZBOCLSA-N 0 0 345.321 3.196 10 5 EGBERN O=C(Nc1csc(-c2ccccn2)n1)c1csc([N+](=O)[O-])c1 ZINC000342648707 457427172 /nfs/dbraw/zinc/42/71/72/457427172.db2.gz IPJLQCXPWJJXBA-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN O=C(Nc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])s1 ZINC000342660881 457436617 /nfs/dbraw/zinc/43/66/17/457436617.db2.gz VCKGPXIGJWVLBD-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN Cc1nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc(C2CC2)n1 ZINC000342663237 457438271 /nfs/dbraw/zinc/43/82/71/457438271.db2.gz LVCMOXFYZPPOJJ-UHFFFAOYSA-N 0 0 348.309 3.030 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)cc1 ZINC000363750209 457440070 /nfs/dbraw/zinc/44/00/70/457440070.db2.gz KBPSILGHZIFYFM-AWEZNQCLSA-N 0 0 325.368 3.115 10 5 EGBERN COc1cc(CNc2ccc(F)cc2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000342685914 457456704 /nfs/dbraw/zinc/45/67/04/457456704.db2.gz IUVHMJZIIGLADR-UHFFFAOYSA-N 0 0 347.346 3.056 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCc1ccccn1 ZINC000342783905 457525746 /nfs/dbraw/zinc/52/57/46/457525746.db2.gz QIRIBTSMOLPHEC-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(F)cc(C)c3C2)c1 ZINC000409656501 457611178 /nfs/dbraw/zinc/61/11/78/457611178.db2.gz IWKVDYKCCBOPAM-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN C[C@@H](c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1)C1CC1 ZINC000357600868 457616566 /nfs/dbraw/zinc/61/65/66/457616566.db2.gz WNSFNGCGLJRKNB-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnc(C)s1 ZINC000361161466 457621628 /nfs/dbraw/zinc/62/16/28/457621628.db2.gz JVIKVTRVCZHRKZ-CYBMUJFWSA-N 0 0 333.413 3.245 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000374521842 457648006 /nfs/dbraw/zinc/64/80/06/457648006.db2.gz OVVHNDAMDQDZFA-SFHVURJKSA-N 0 0 328.343 3.235 10 5 EGBERN CNc1c(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000361220632 457651154 /nfs/dbraw/zinc/65/11/54/457651154.db2.gz LTTQAOOVXGZPHR-SNVBAGLBSA-N 0 0 349.337 3.448 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000364598215 457652418 /nfs/dbraw/zinc/65/24/18/457652418.db2.gz AMUXISZSJOOBKW-ZDUSSCGKSA-N 0 0 341.415 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCc3nc[nH]c3C2)c(Br)c1 ZINC000370680835 457699909 /nfs/dbraw/zinc/69/99/09/457699909.db2.gz LTSBBYTYKCACBO-MRVPVSSYSA-N 0 0 337.177 3.050 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374774481 457704370 /nfs/dbraw/zinc/70/43/70/457704370.db2.gz IGFCBLKJLZIVQQ-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN Cc1cnc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)s1 ZINC000365323072 457742010 /nfs/dbraw/zinc/74/20/10/457742010.db2.gz SWRFZNTVZLHVFP-UHFFFAOYSA-N 0 0 346.412 3.083 10 5 EGBERN CC[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361487733 457749067 /nfs/dbraw/zinc/74/90/67/457749067.db2.gz ZSDWWCDCRVVBII-OAHLLOKOSA-N 0 0 327.384 3.299 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccn2)cs1 ZINC000358109093 457790957 /nfs/dbraw/zinc/79/09/57/457790957.db2.gz PRTUVPSKBBNBMC-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN CCN([C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766016 457810699 /nfs/dbraw/zinc/81/06/99/457810699.db2.gz SBKQHERQVUAUKG-CJNGLKHVSA-N 0 0 340.445 3.325 10 5 EGBERN O=C(CCOCC1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433501565 457841368 /nfs/dbraw/zinc/84/13/68/457841368.db2.gz LIJOMMZQTHUKNZ-UHFFFAOYSA-N 0 0 347.396 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCCc1ccccc1)C(=O)[O-] ZINC000426803063 457906403 /nfs/dbraw/zinc/90/64/03/457906403.db2.gz KACRNAUSMNAKFY-GOSISDBHSA-N 0 0 342.395 3.469 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000458032326 457911037 /nfs/dbraw/zinc/91/10/37/457911037.db2.gz UHSBWCFFBRBISM-GJZGRUSLSA-N 0 0 342.399 3.220 10 5 EGBERN COC1CCC(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000427026813 457937011 /nfs/dbraw/zinc/93/70/11/457937011.db2.gz FQFPJEDVYNWUJK-UHFFFAOYSA-N 0 0 338.429 3.008 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCSC3)cc2[N+](=O)[O-])C1 ZINC000361988295 457993419 /nfs/dbraw/zinc/99/34/19/457993419.db2.gz NXWZGOCNANBMFM-OCCSQVGLSA-N 0 0 349.456 3.066 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@@H]2C[C@H]1CS2 ZINC000458342220 458018270 /nfs/dbraw/zinc/01/82/70/458018270.db2.gz XCEZSNBYBIYOLK-STQMWFEESA-N 0 0 336.416 3.011 10 5 EGBERN Cc1ncc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)s1 ZINC000445197065 458024541 /nfs/dbraw/zinc/02/45/41/458024541.db2.gz YEKXRQWFWZMVCF-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000427756176 458030719 /nfs/dbraw/zinc/03/07/19/458030719.db2.gz HFAQPGUROBBJGG-INIZCTEOSA-N 0 0 348.399 3.145 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000362313692 458100414 /nfs/dbraw/zinc/10/04/14/458100414.db2.gz DDAHABXEVKHTFO-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000358609472 458106628 /nfs/dbraw/zinc/10/66/28/458106628.db2.gz ONAZUDWWHZGRMR-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000412171803 458115771 /nfs/dbraw/zinc/11/57/71/458115771.db2.gz LVHCOJUVYJAILJ-MJGOQNOKSA-N 0 0 340.354 3.364 10 5 EGBERN CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349273 458120249 /nfs/dbraw/zinc/12/02/49/458120249.db2.gz TZHYGAXYRRUXOZ-CQSZACIVSA-N 0 0 331.347 3.411 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000428408164 458134663 /nfs/dbraw/zinc/13/46/63/458134663.db2.gz YIWPSJXAJVWRMX-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412299224 458158921 /nfs/dbraw/zinc/15/89/21/458158921.db2.gz OEJCALHIIOABJB-OLRMPSLUSA-N 0 0 342.317 3.498 10 5 EGBERN Cc1nn(C)c(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000435596210 458169013 /nfs/dbraw/zinc/16/90/13/458169013.db2.gz XJCAQLDJFUJKHF-MNOVXSKESA-N 0 0 338.314 3.206 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000362485163 458209136 /nfs/dbraw/zinc/20/91/36/458209136.db2.gz KBUUOLQNXPSHAF-BETUJISGSA-N 0 0 336.413 3.099 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000435912150 458222749 /nfs/dbraw/zinc/22/27/49/458222749.db2.gz UCAAVDAEHMLNMC-UHFFFAOYSA-N 0 0 325.324 3.402 10 5 EGBERN Cc1cc([C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000376447332 458303268 /nfs/dbraw/zinc/30/32/68/458303268.db2.gz FSDIJADDTRTMHO-KRWDZBQOSA-N 0 0 331.347 3.202 10 5 EGBERN Cc1ccc(C)c(CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000429293851 458310293 /nfs/dbraw/zinc/31/02/93/458310293.db2.gz KXHIVRXZSNRRCL-UHFFFAOYSA-N 0 0 341.411 3.306 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCOc4ccc(F)cc43)nc2c1 ZINC000447668953 458327867 /nfs/dbraw/zinc/32/78/67/458327867.db2.gz IFIVMSNXNOANQR-CYBMUJFWSA-N 0 0 342.330 3.358 10 5 EGBERN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000376805379 458393086 /nfs/dbraw/zinc/39/30/86/458393086.db2.gz UYIUBYHXYBYNKT-CABCVRRESA-N 0 0 342.399 3.045 10 5 EGBERN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ncccc1F ZINC000448185594 458398392 /nfs/dbraw/zinc/39/83/92/458398392.db2.gz PRHHDCCMKZKGQG-UHFFFAOYSA-N 0 0 343.236 3.424 10 5 EGBERN C[C@H]1CCN(c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)ccn2)C1 ZINC000437562222 458466473 /nfs/dbraw/zinc/46/64/73/458466473.db2.gz UQARSOVBMUFGBF-NSHDSACASA-N 0 0 344.346 3.227 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C)CC1 ZINC000460192286 458504771 /nfs/dbraw/zinc/50/47/71/458504771.db2.gz KBPSUFKYQCAMAG-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000460202318 458505431 /nfs/dbraw/zinc/50/54/31/458505431.db2.gz OGORTROGHMLYQP-QWHCGFSZSA-N 0 0 329.404 3.498 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC2(CC2)c2ccccc21 ZINC000377777839 458522681 /nfs/dbraw/zinc/52/26/81/458522681.db2.gz ITFPRVMCJQWNLF-UHFFFAOYSA-N 0 0 339.307 3.195 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000377918544 458572704 /nfs/dbraw/zinc/57/27/04/458572704.db2.gz RMPADXVWZSEQAO-HOCLYGCPSA-N 0 0 339.395 3.392 10 5 EGBERN COc1cc(CN[C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192485 458581868 /nfs/dbraw/zinc/58/18/68/458581868.db2.gz IZDJNUVPFYWQGI-ZWKOTPCHSA-N 0 0 346.358 3.339 10 5 EGBERN CCOc1cccc(NCc2cccnc2-n2ccnc2)c1[N+](=O)[O-] ZINC000378024109 458602197 /nfs/dbraw/zinc/60/21/97/458602197.db2.gz IQTHYVPUGUSJER-UHFFFAOYSA-N 0 0 339.355 3.186 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]c(=O)cc1C ZINC000462635598 458637417 /nfs/dbraw/zinc/63/74/17/458637417.db2.gz CSUBADNFERBYOH-ZDUSSCGKSA-N 0 0 329.356 3.211 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000439162704 458665374 /nfs/dbraw/zinc/66/53/74/458665374.db2.gz ZSTZMWSJMGXCGA-YPMHNXCESA-N 0 0 338.791 3.198 10 5 EGBERN CNc1c(C(=O)NC[C@@H](C)c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000462992695 458669584 /nfs/dbraw/zinc/66/95/84/458669584.db2.gz PITKDBVUCJKLRF-CYBMUJFWSA-N 0 0 327.384 3.478 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000471288984 458688204 /nfs/dbraw/zinc/68/82/04/458688204.db2.gz QSATUWMJXFWWIB-LLVKDONJSA-N 0 0 342.351 3.377 10 5 EGBERN Cc1c(Cc2nc(-c3ccc4cnn(C)c4c3)no2)cccc1[N+](=O)[O-] ZINC000547136068 458701674 /nfs/dbraw/zinc/70/16/74/458701674.db2.gz KZEIFCRKBAKTLX-UHFFFAOYSA-N 0 0 349.350 3.431 10 5 EGBERN COC(=O)c1ccc(CCNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000475348452 458937885 /nfs/dbraw/zinc/93/78/85/458937885.db2.gz DUXGQAZOKBAXQT-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531600968 458944212 /nfs/dbraw/zinc/94/42/12/458944212.db2.gz AZFWQKNXCKLUIS-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN Nc1nc(N2CCCCC[C@H]2/C=C\c2cccs2)ncc1[N+](=O)[O-] ZINC000475727297 458961520 /nfs/dbraw/zinc/96/15/20/458961520.db2.gz DNLQTQVABLRCCV-KRZKBDHCSA-N 0 0 345.428 3.321 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000442243941 458998595 /nfs/dbraw/zinc/99/85/95/458998595.db2.gz SAYJYMPXZNDWLF-UHFFFAOYSA-N 0 0 336.344 3.412 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CCCCC1 ZINC000468345874 459015933 /nfs/dbraw/zinc/01/59/33/459015933.db2.gz LEYZAZLFRCGDER-MRXNPFEDSA-N 0 0 348.443 3.365 10 5 EGBERN O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000577375725 459024502 /nfs/dbraw/zinc/02/45/02/459024502.db2.gz OBZWYIYYLBBCAI-UWVGGRQHSA-N 0 0 332.278 3.207 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000532392719 459079540 /nfs/dbraw/zinc/07/95/40/459079540.db2.gz HXZSDUCUNMFPKL-UHFFFAOYSA-N 0 0 329.331 3.181 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000557541526 459083840 /nfs/dbraw/zinc/08/38/40/459083840.db2.gz QZONDWVADFJQLI-UHFFFAOYSA-N 0 0 347.758 3.432 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccc2c1OCCCO2 ZINC000577746725 459089345 /nfs/dbraw/zinc/08/93/45/459089345.db2.gz DJVXJRKPSBOSBK-UHFFFAOYSA-N 0 0 330.340 3.377 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@](OC)(C(F)(F)F)C1 ZINC000594572584 459095360 /nfs/dbraw/zinc/09/53/60/459095360.db2.gz NZPKTHYAUUZUOB-CYBMUJFWSA-N 0 0 334.294 3.151 10 5 EGBERN Cc1c(Cc2noc(CN3[C@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210647 459099512 /nfs/dbraw/zinc/09/95/12/459099512.db2.gz BDIVPWGUQNRAKJ-TXEJJXNPSA-N 0 0 330.388 3.250 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594590937 459100733 /nfs/dbraw/zinc/10/07/33/459100733.db2.gz OVSYDDXTIPUNRF-WCQYABFASA-N 0 0 334.401 3.359 10 5 EGBERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCC(F)(F)CC1 ZINC000594601314 459105707 /nfs/dbraw/zinc/10/57/07/459105707.db2.gz ODEIFKDZOZBQMU-SECBINFHSA-N 0 0 329.347 3.295 10 5 EGBERN COc1ccc2c(c1)CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC000594603579 459107464 /nfs/dbraw/zinc/10/74/64/459107464.db2.gz KPFWQFYKLLRUFH-UHFFFAOYSA-N 0 0 325.368 3.397 10 5 EGBERN C[C@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000567559455 459123176 /nfs/dbraw/zinc/12/31/76/459123176.db2.gz AOYZNOHYFAWYAW-VIFPVBQESA-N 0 0 328.303 3.352 10 5 EGBERN CC[C@H](NC(=O)c1cccc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000590441404 459130811 /nfs/dbraw/zinc/13/08/11/459130811.db2.gz KBSYFJAGAFTGAR-ZDUSSCGKSA-N 0 0 340.339 3.058 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594710732 459136173 /nfs/dbraw/zinc/13/61/73/459136173.db2.gz HKBUUJACIYFJGL-LBPRGKRZSA-N 0 0 341.367 3.107 10 5 EGBERN Cc1ccnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000594728710 459142586 /nfs/dbraw/zinc/14/25/86/459142586.db2.gz XGRFARDVHOXVHD-UHFFFAOYSA-N 0 0 347.396 3.118 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000594734432 459144748 /nfs/dbraw/zinc/14/47/48/459144748.db2.gz ZOTCLFYZJKUDII-QGZVFWFLSA-N 0 0 348.399 3.074 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000594734155 459144773 /nfs/dbraw/zinc/14/47/73/459144773.db2.gz QQVVTYLWSRLTNB-SOUVJXGZSA-N 0 0 348.399 3.069 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCOCC2CC2)ccc1[N+](=O)[O-] ZINC000590571976 459151904 /nfs/dbraw/zinc/15/19/04/459151904.db2.gz LAQPQGWREJGDCJ-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000594902623 459169715 /nfs/dbraw/zinc/16/97/15/459169715.db2.gz AFNXVJFPIZVQGE-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN CC(=O)CCC(C)(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558576594 459175717 /nfs/dbraw/zinc/17/57/17/459175717.db2.gz JMWWYOHLJLQVFZ-UHFFFAOYSA-N 0 0 345.399 3.130 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000590683979 459181488 /nfs/dbraw/zinc/18/14/88/459181488.db2.gz BUSMZJPSJSUFOW-UHFFFAOYSA-N 0 0 332.253 3.188 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000590698428 459187904 /nfs/dbraw/zinc/18/79/04/459187904.db2.gz YUEYFOKORYRCOA-KWQFWETISA-N 0 0 334.269 3.434 10 5 EGBERN Nc1cc(N[C@@H]2CCCc3c(F)cc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000590704321 459189250 /nfs/dbraw/zinc/18/92/50/459189250.db2.gz RPMZBXQVDJLPJM-MRXNPFEDSA-N 0 0 349.337 3.437 10 5 EGBERN CCCC[C@H](Sc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(=O)OC ZINC000480563450 459205367 /nfs/dbraw/zinc/20/53/67/459205367.db2.gz MLIOLCGAIJAKPH-LBPRGKRZSA-N 0 0 341.385 3.205 10 5 EGBERN C[C@@H](OCC1CC1)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000590778759 459214155 /nfs/dbraw/zinc/21/41/55/459214155.db2.gz BLBPGXBEUSMVGQ-SNVBAGLBSA-N 0 0 344.371 3.491 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(OC(F)F)CC1 ZINC000590800359 459225404 /nfs/dbraw/zinc/22/54/04/459225404.db2.gz XQHITHJBPTXWCL-UHFFFAOYSA-N 0 0 329.303 3.267 10 5 EGBERN C[C@H]1CCn2ncc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000568091036 459226084 /nfs/dbraw/zinc/22/60/84/459226084.db2.gz HUISZGYRMMJRQE-LBPRGKRZSA-N 0 0 342.399 3.039 10 5 EGBERN CCCCC[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595380164 459286852 /nfs/dbraw/zinc/28/68/52/459286852.db2.gz LESQYFARTMCDIC-ZDUSSCGKSA-N 0 0 341.433 3.113 10 5 EGBERN CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000591177293 459328603 /nfs/dbraw/zinc/32/86/03/459328603.db2.gz RFIDAFJPAGLHEG-AEFFLSMTSA-N 0 0 341.411 3.442 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595518671 459331201 /nfs/dbraw/zinc/33/12/01/459331201.db2.gz JFEQNRDXJYEJIK-CABCVRRESA-N 0 0 349.431 3.126 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000595532453 459335203 /nfs/dbraw/zinc/33/52/03/459335203.db2.gz WEZSOZOTNXGWCD-FUHWJXTLSA-N 0 0 348.349 3.034 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595551866 459344810 /nfs/dbraw/zinc/34/48/10/459344810.db2.gz ZEWVPCBDOFZILB-SCLBCKFNSA-N 0 0 347.415 3.175 10 5 EGBERN Cc1noc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1[N+](=O)[O-] ZINC000595560764 459346842 /nfs/dbraw/zinc/34/68/42/459346842.db2.gz ZPGGKFKONFANJB-QGZVFWFLSA-N 0 0 343.383 3.051 10 5 EGBERN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595573063 459352072 /nfs/dbraw/zinc/35/20/72/459352072.db2.gz KHLPKGXCYBOFJY-LRVUVFPRSA-N 0 0 337.395 3.353 10 5 EGBERN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)C1O ZINC000595731882 459416647 /nfs/dbraw/zinc/41/66/47/459416647.db2.gz HSZWUIPZQNEGFG-UWVGGRQHSA-N 0 0 332.322 3.062 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000561192615 459429657 /nfs/dbraw/zinc/42/96/57/459429657.db2.gz SVCOGKXDMSNTDF-BMIGLBTASA-N 0 0 341.367 3.430 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541229174 459435258 /nfs/dbraw/zinc/43/52/58/459435258.db2.gz OGUMXCFAVYKKOH-SNVBAGLBSA-N 0 0 326.308 3.041 10 5 EGBERN Cc1ccc(NCCCNC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000525314958 459447394 /nfs/dbraw/zinc/44/73/94/459447394.db2.gz ZMZKIZJTTMTZSB-UHFFFAOYSA-N 0 0 334.420 3.337 10 5 EGBERN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888206 459474804 /nfs/dbraw/zinc/47/48/04/459474804.db2.gz CVMUDOROPANFRK-RISCZKNCSA-N 0 0 348.321 3.015 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](CC(F)(F)F)O1 ZINC000595890858 459476540 /nfs/dbraw/zinc/47/65/40/459476540.db2.gz NFWLVJBVMFDMBA-SKDRFNHKSA-N 0 0 336.285 3.276 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000591972229 459500970 /nfs/dbraw/zinc/50/09/70/459500970.db2.gz QBQKJDPYIWSWAV-UHFFFAOYSA-N 0 0 336.388 3.145 10 5 EGBERN COc1ccc(CC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000541940724 459513021 /nfs/dbraw/zinc/51/30/21/459513021.db2.gz YHLUBIAJDZBAGF-FZKQIMNGSA-N 0 0 332.400 3.185 10 5 EGBERN NC(=O)c1cc(NCCCCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000596102874 459520910 /nfs/dbraw/zinc/52/09/10/459520910.db2.gz SCBRMIRIWXIVJB-UHFFFAOYSA-N 0 0 343.383 3.103 10 5 EGBERN COc1cc(N2CCC(c3ncc[nH]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596103425 459522022 /nfs/dbraw/zinc/52/20/22/459522022.db2.gz UAXGMDCHRZENBK-UHFFFAOYSA-N 0 0 336.779 3.364 10 5 EGBERN COc1ccc(CC2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596104053 459522102 /nfs/dbraw/zinc/52/21/02/459522102.db2.gz JOTVDTCYQQTUJD-UHFFFAOYSA-N 0 0 343.383 3.163 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CCc2cccn2C)c1 ZINC000542043894 459523304 /nfs/dbraw/zinc/52/33/04/459523304.db2.gz TWEPCEXGHHYZQD-GFCCVEGCSA-N 0 0 331.372 3.153 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)S[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137718 459533909 /nfs/dbraw/zinc/53/39/09/459533909.db2.gz CHOMWWPWGMLJDO-RKDXNWHRSA-N 0 0 344.820 3.365 10 5 EGBERN CCC[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145872 459535774 /nfs/dbraw/zinc/53/57/74/459535774.db2.gz ZAURWHLHYUAGHW-JTQLQIEISA-N 0 0 344.795 3.245 10 5 EGBERN COc1cc(NC[C@H](CO)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000596151980 459538622 /nfs/dbraw/zinc/53/86/22/459538622.db2.gz NMMDTFLOKMPDQE-GFCCVEGCSA-N 0 0 336.775 3.445 10 5 EGBERN CCCN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596162042 459543866 /nfs/dbraw/zinc/54/38/66/459543866.db2.gz XPEUHZMSSSOPKP-UHFFFAOYSA-N 0 0 344.795 3.022 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596160608 459543911 /nfs/dbraw/zinc/54/39/11/459543911.db2.gz QXNWXHXZRUJADG-VHSXEESVSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596160606 459543983 /nfs/dbraw/zinc/54/39/83/459543983.db2.gz QXNWXHXZRUJADG-NXEZZACHSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596163196 459544929 /nfs/dbraw/zinc/54/49/29/459544929.db2.gz UEDXNGRSJPWIHW-SECBINFHSA-N 0 0 342.779 3.039 10 5 EGBERN CCc1nn(C)cc1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596186848 459553701 /nfs/dbraw/zinc/55/37/01/459553701.db2.gz WYKPDBLZZIDVSY-UHFFFAOYSA-N 0 0 338.751 3.074 10 5 EGBERN COC(=O)c1c(Cl)c(NCC(C)(C)CCCO)ccc1[N+](=O)[O-] ZINC000596186126 459554254 /nfs/dbraw/zinc/55/42/54/459554254.db2.gz UNVRERPCAHYJPF-UHFFFAOYSA-N 0 0 344.795 3.245 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000562402881 459556001 /nfs/dbraw/zinc/55/60/01/459556001.db2.gz DFXKBONBTGBOIW-ZDUSSCGKSA-N 0 0 344.367 3.017 10 5 EGBERN COc1cc(N2CCOCC3(CCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596192914 459556374 /nfs/dbraw/zinc/55/63/74/459556374.db2.gz YFRNMXLXKFZGOZ-UHFFFAOYSA-N 0 0 326.780 3.264 10 5 EGBERN CCOC(=O)C1(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596196342 459557460 /nfs/dbraw/zinc/55/74/60/459557460.db2.gz KVAZHRBPPAMSAU-UHFFFAOYSA-N 0 0 328.752 3.012 10 5 EGBERN O=c1[nH]ccc2c1CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2 ZINC000596209905 459561353 /nfs/dbraw/zinc/56/13/53/459561353.db2.gz ISAWDQNSGMKCAY-UHFFFAOYSA-N 0 0 339.273 3.277 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCCCc3cccc(F)c3)c21 ZINC000542508028 459563482 /nfs/dbraw/zinc/56/34/82/459563482.db2.gz QXKDZSKRAKNZLQ-UHFFFAOYSA-N 0 0 326.331 3.144 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000596216352 459563796 /nfs/dbraw/zinc/56/37/96/459563796.db2.gz HQSNZSFTCPEROR-MRVPVSSYSA-N 0 0 330.793 3.200 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000596223191 459565511 /nfs/dbraw/zinc/56/55/11/459565511.db2.gz NWOSYEWHXLEDJG-OAHLLOKOSA-N 0 0 342.779 3.040 10 5 EGBERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562460939 459566857 /nfs/dbraw/zinc/56/68/57/459566857.db2.gz HVDVLUOAPDZXMT-OAHLLOKOSA-N 0 0 334.372 3.364 10 5 EGBERN COC(=O)c1c(Cl)c(NC2(CCO)CCCC2)ccc1[N+](=O)[O-] ZINC000596230421 459567907 /nfs/dbraw/zinc/56/79/07/459567907.db2.gz AVUIYEPMCLNDFJ-UHFFFAOYSA-N 0 0 342.779 3.142 10 5 EGBERN CCc1nnc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)s1 ZINC000596237464 459570538 /nfs/dbraw/zinc/57/05/38/459570538.db2.gz XWAYKYDWASIBRO-UHFFFAOYSA-N 0 0 328.781 3.283 10 5 EGBERN COC(=O)c1c(Cl)c(NCCC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596260373 459578081 /nfs/dbraw/zinc/57/80/81/459578081.db2.gz FCCXEQBPMQOIJX-JTQLQIEISA-N 0 0 342.779 3.263 10 5 EGBERN COCC[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596270688 459579536 /nfs/dbraw/zinc/57/95/36/459579536.db2.gz QDVGZIVPDKYBOA-VIFPVBQESA-N 0 0 330.768 3.119 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(CCC1CC1)CC1CC1 ZINC000596288695 459585970 /nfs/dbraw/zinc/58/59/70/459585970.db2.gz GNGWTPVSGSBNOJ-UHFFFAOYSA-N 0 0 347.415 3.195 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000527184825 459603660 /nfs/dbraw/zinc/60/36/60/459603660.db2.gz JYFKLWPNRARWBL-PSASIEDQSA-N 0 0 331.294 3.049 10 5 EGBERN COc1ccc(CC(=O)NCC2(C)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000527265970 459619354 /nfs/dbraw/zinc/61/93/54/459619354.db2.gz AOFMRVYNKOMAKF-UHFFFAOYSA-N 0 0 334.416 3.479 10 5 EGBERN COc1cc(CSCCO[C@@H]2CC2(F)F)c([N+](=O)[O-])cc1F ZINC000596405139 459626261 /nfs/dbraw/zinc/62/62/61/459626261.db2.gz TUUFKGSXFXCOFH-GFCCVEGCSA-N 0 0 337.319 3.400 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)s1 ZINC000596440288 459636555 /nfs/dbraw/zinc/63/65/55/459636555.db2.gz BXTFPGDLWOBXOK-SSDOTTSWSA-N 0 0 345.306 3.202 10 5 EGBERN COCC1(C2CCC2)CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596439795 459636698 /nfs/dbraw/zinc/63/66/98/459636698.db2.gz FVTFCOHCAHQSAJ-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000596445691 459638883 /nfs/dbraw/zinc/63/88/83/459638883.db2.gz GWQPEJVEHBTXSO-UHFFFAOYSA-N 0 0 347.375 3.007 10 5 EGBERN CC[C@H](NC(=O)N1CC2(CCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596451801 459641417 /nfs/dbraw/zinc/64/14/17/459641417.db2.gz BSNAOHYWOPOODL-BBRMVZONSA-N 0 0 347.415 3.399 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H](C)[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000596453665 459641572 /nfs/dbraw/zinc/64/15/72/459641572.db2.gz JPQCGAGEJXGGPV-RRQGHBQHSA-N 0 0 349.431 3.238 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527453704 459642642 /nfs/dbraw/zinc/64/26/42/459642642.db2.gz KKAMDNHNDFDFBI-SKDRFNHKSA-N 0 0 331.294 3.077 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@](O)(C2CC2)C1 ZINC000596461486 459644828 /nfs/dbraw/zinc/64/48/28/459644828.db2.gz FIDLOKFLOAOHEN-AWEZNQCLSA-N 0 0 341.205 3.099 10 5 EGBERN C[C@]1(CCNc2c(Br)cncc2[N+](=O)[O-])CC1(F)F ZINC000596474994 459649091 /nfs/dbraw/zinc/64/90/91/459649091.db2.gz DCBWSFIUDIIXTK-JTQLQIEISA-N 0 0 336.136 3.022 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@H]2Nc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000596487629 459653835 /nfs/dbraw/zinc/65/38/35/459653835.db2.gz ICQJWMBKMQYZIZ-XHDPSFHLSA-N 0 0 336.342 3.430 10 5 EGBERN CC(=O)c1cc(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596488007 459654011 /nfs/dbraw/zinc/65/40/11/459654011.db2.gz LBCFVDPDKYCNPE-PBHICJAKSA-N 0 0 342.399 3.354 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000596515520 459662851 /nfs/dbraw/zinc/66/28/51/459662851.db2.gz ZDAKZICVDKFZOE-SKDRFNHKSA-N 0 0 347.293 3.168 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000592697181 459670007 /nfs/dbraw/zinc/67/00/07/459670007.db2.gz RBGNYTCJINLDED-OKILXGFUSA-N 0 0 347.415 3.245 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000596539067 459670110 /nfs/dbraw/zinc/67/01/10/459670110.db2.gz AOVNAJLLZQGHBR-ZBEGNZNMSA-N 0 0 341.367 3.348 10 5 EGBERN COc1cc(NC[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000596547571 459672206 /nfs/dbraw/zinc/67/22/06/459672206.db2.gz IITZJEDDRHJNIR-BZNIZROVSA-N 0 0 334.347 3.319 10 5 EGBERN CC(=O)c1cc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596553775 459674520 /nfs/dbraw/zinc/67/45/20/459674520.db2.gz HIFAICJLXSAGAU-JOYOIKCWSA-N 0 0 346.305 3.344 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCO[C@H](CC(F)(F)F)C1 ZINC000596559094 459676674 /nfs/dbraw/zinc/67/66/74/459676674.db2.gz WJPRYKZDZUPFIX-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN CC(C)Oc1nc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572361 459681948 /nfs/dbraw/zinc/68/19/48/459681948.db2.gz MAHDBUBCZRKLBK-MEBBXXQBSA-N 0 0 345.346 3.026 10 5 EGBERN CO[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CCC1 ZINC000596582021 459684156 /nfs/dbraw/zinc/68/41/56/459684156.db2.gz HFHWHGFNYNEUMQ-HNNXBMFYSA-N 0 0 332.360 3.120 10 5 EGBERN COC(=O)c1cnc(NCC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000596582392 459685509 /nfs/dbraw/zinc/68/55/09/459685509.db2.gz JOSNPVCELNZDJQ-UHFFFAOYSA-N 0 0 335.282 3.167 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592802366 459693282 /nfs/dbraw/zinc/69/32/82/459693282.db2.gz YLIMUDHPDAKPLZ-CYBMUJFWSA-N 0 0 344.415 3.356 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)n1 ZINC000596619164 459700406 /nfs/dbraw/zinc/70/04/06/459700406.db2.gz RDXWFHWCFGPHDD-STQMWFEESA-N 0 0 339.355 3.207 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C2CCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000592834040 459701552 /nfs/dbraw/zinc/70/15/52/459701552.db2.gz OSEWGMLEXCTYNV-AWEZNQCLSA-N 0 0 334.420 3.359 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc(OC)c(OC)cc2C)c1 ZINC000543871690 459709083 /nfs/dbraw/zinc/70/90/83/459709083.db2.gz XVYOPEFZHZUZRU-UHFFFAOYSA-N 0 0 346.339 3.451 10 5 EGBERN CC[C@@H](C)C[C@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000592876804 459709585 /nfs/dbraw/zinc/70/95/85/459709585.db2.gz ZYWDXYNTOXFMKA-BXKDBHETSA-N 0 0 328.796 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C[C@H](O)C3CC3)cc2)c1 ZINC000596647413 459712383 /nfs/dbraw/zinc/71/23/83/459712383.db2.gz JLMAYGVOKQXTMA-IBGZPJMESA-N 0 0 327.380 3.110 10 5 EGBERN CC(C)[C@@H]1N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592901169 459717424 /nfs/dbraw/zinc/71/74/24/459717424.db2.gz JTVZHQBOTRLAPI-KRWDZBQOSA-N 0 0 330.384 3.177 10 5 EGBERN CC12CC(C1)CN2C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596694502 459731367 /nfs/dbraw/zinc/73/13/67/459731367.db2.gz ONJRFSXRMAPTRB-UHFFFAOYSA-N 0 0 327.287 3.212 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc2c(c1)OCCCO2 ZINC000584435758 459736457 /nfs/dbraw/zinc/73/64/57/459736457.db2.gz WZHMWMUZBGUCGT-UHFFFAOYSA-N 0 0 330.340 3.377 10 5 EGBERN O=[N+]([O-])c1cccc(CN(Cc2cc3n(n2)CCCC3)C2CC2)c1 ZINC000593020919 459742393 /nfs/dbraw/zinc/74/23/93/459742393.db2.gz SSURZICRMXFZOY-UHFFFAOYSA-N 0 0 326.400 3.292 10 5 EGBERN CCCn1c2ccccc2n(Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O ZINC000573884546 459749739 /nfs/dbraw/zinc/74/97/39/459749739.db2.gz AZGTWQLLGUNYGQ-UHFFFAOYSA-N 0 0 341.367 3.178 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000596866361 459782155 /nfs/dbraw/zinc/78/21/55/459782155.db2.gz MJAFXPUODOFFLK-GUYCJALGSA-N 0 0 343.383 3.455 10 5 EGBERN CC[C@](C)(NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C1CC1 ZINC000596870867 459784058 /nfs/dbraw/zinc/78/40/58/459784058.db2.gz BMAGNKKFQLAZKF-KRWDZBQOSA-N 0 0 349.387 3.390 10 5 EGBERN COc1c(C(=O)N(CC(C)C)c2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000593184504 459800471 /nfs/dbraw/zinc/80/04/71/459800471.db2.gz MUAKZJRIDVRJCX-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCC23CCCC3)c(C)c([N+](=O)[O-])c1 ZINC000593198105 459804814 /nfs/dbraw/zinc/80/48/14/459804814.db2.gz MBHUVOZMYQYQHJ-UHFFFAOYSA-N 0 0 347.371 3.240 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1cn(C2CCC2)nn1)C1CC1 ZINC000596979240 459809111 /nfs/dbraw/zinc/80/91/11/459809111.db2.gz JAWRMGNIMKFUNB-UHFFFAOYSA-N 0 0 327.388 3.076 10 5 EGBERN COCc1ccnc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000593222541 459812056 /nfs/dbraw/zinc/81/20/56/459812056.db2.gz JMCKFZQUEXDBHI-UHFFFAOYSA-N 0 0 339.298 3.350 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593279539 459828303 /nfs/dbraw/zinc/82/83/03/459828303.db2.gz IDYCYTZREOCITI-RCCFBDPRSA-N 0 0 344.411 3.020 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC000574541299 459832524 /nfs/dbraw/zinc/83/25/24/459832524.db2.gz RNHFNMVGQJGDSA-JTQLQIEISA-N 0 0 327.340 3.340 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597089417 459834685 /nfs/dbraw/zinc/83/46/85/459834685.db2.gz AOUIJLHXYWJLKM-WQVCFCJDSA-N 0 0 340.383 3.464 10 5 EGBERN C[C@H]1[C@@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597090139 459835377 /nfs/dbraw/zinc/83/53/77/459835377.db2.gz HLFIHBAQINKOIN-IWSPIJDZSA-N 0 0 326.784 3.339 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000597092421 459835803 /nfs/dbraw/zinc/83/58/03/459835803.db2.gz KLASGGQCXNVCJW-QPUJVOFHSA-N 0 0 344.799 3.013 10 5 EGBERN COC(C)(C)C[C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101146 459837260 /nfs/dbraw/zinc/83/72/60/459837260.db2.gz IXBMUIHKYACUJB-QMMMGPOBSA-N 0 0 344.799 3.156 10 5 EGBERN CC1(C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCS1 ZINC000597104629 459837503 /nfs/dbraw/zinc/83/75/03/459837503.db2.gz STBALFXWXHVLCF-UHFFFAOYSA-N 0 0 344.824 3.190 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000585740243 459838774 /nfs/dbraw/zinc/83/87/74/459838774.db2.gz PILBVRKYJLCSRM-UHFFFAOYSA-N 0 0 348.424 3.292 10 5 EGBERN C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593325879 459844247 /nfs/dbraw/zinc/84/42/47/459844247.db2.gz FQHXDNKKTCRPRF-AWEZNQCLSA-N 0 0 340.379 3.162 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000593329588 459846926 /nfs/dbraw/zinc/84/69/26/459846926.db2.gz YXUTYMUSIPEOSU-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C12CCC2 ZINC000598298186 459852516 /nfs/dbraw/zinc/85/25/16/459852516.db2.gz ZBVJVOAPSCGXKA-UONOGXRCSA-N 0 0 347.415 3.033 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000593360060 459862723 /nfs/dbraw/zinc/86/27/23/459862723.db2.gz VUUHVXQTXOQYRE-CYBMUJFWSA-N 0 0 336.388 3.096 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000545869964 459862721 /nfs/dbraw/zinc/86/27/21/459862721.db2.gz INYOVUYCBPJSDX-AWEZNQCLSA-N 0 0 347.371 3.004 10 5 EGBERN O=C(N[C@H]1CC12CC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000574751365 459865888 /nfs/dbraw/zinc/86/58/88/459865888.db2.gz XCFKMCFQMVRUES-HNNXBMFYSA-N 0 0 340.329 3.242 10 5 EGBERN COCc1ccnc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000593368333 459868254 /nfs/dbraw/zinc/86/82/54/459868254.db2.gz DISDHDSFLVIZJW-JTQLQIEISA-N 0 0 333.319 3.018 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372165 459870266 /nfs/dbraw/zinc/87/02/66/459870266.db2.gz XNXIIYVQVCBKJZ-HIFRSBDPSA-N 0 0 339.342 3.487 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)ccc1[N+](=O)[O-] ZINC000598337375 459870947 /nfs/dbraw/zinc/87/09/47/459870947.db2.gz PCCPKITZLQKDPG-CYBMUJFWSA-N 0 0 342.342 3.403 10 5 EGBERN CCc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598349397 459875566 /nfs/dbraw/zinc/87/55/66/459875566.db2.gz GBRCWTUHYKKPDF-ZDUSSCGKSA-N 0 0 332.400 3.331 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC000598365016 459879925 /nfs/dbraw/zinc/87/99/25/459879925.db2.gz BVSHFFBASUPOPF-KPPDAEKUSA-N 0 0 326.372 3.088 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000586813727 459879958 /nfs/dbraw/zinc/87/99/58/459879958.db2.gz XPWRZCXBRTYOBA-CYBMUJFWSA-N 0 0 334.763 3.339 10 5 EGBERN COc1ccc(CC(=O)N[C@@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000598367661 459881132 /nfs/dbraw/zinc/88/11/32/459881132.db2.gz WELWIWYPADDWMR-XGNXJENSSA-N 0 0 338.379 3.179 10 5 EGBERN CN(C(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000586834353 459883191 /nfs/dbraw/zinc/88/31/91/459883191.db2.gz FAXNSWAVIUGDEK-UHFFFAOYSA-N 0 0 328.368 3.367 10 5 EGBERN Cc1ccccc1C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587788642 459895254 /nfs/dbraw/zinc/89/52/54/459895254.db2.gz LVLBSOYQAXZHJL-UHFFFAOYSA-N 0 0 327.384 3.121 10 5 EGBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1F ZINC000587988557 459898737 /nfs/dbraw/zinc/89/87/37/459898737.db2.gz KYXVOSFXFOGNHR-SECBINFHSA-N 0 0 337.326 3.163 10 5 EGBERN Nc1cc(NC[C@H]2SCCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000587992824 459898742 /nfs/dbraw/zinc/89/87/42/459898742.db2.gz DGHIKQATHZFJAX-MRXNPFEDSA-N 0 0 345.424 3.112 10 5 EGBERN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000598438670 459899325 /nfs/dbraw/zinc/89/93/25/459899325.db2.gz AKUORXNELMRDRV-GFCCVEGCSA-N 0 0 348.399 3.312 10 5 EGBERN C[C@H]1[C@H](Cc2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587989920 459899253 /nfs/dbraw/zinc/89/92/53/459899253.db2.gz HEIVUYYGAGMZFO-ZFWWWQNUSA-N 0 0 341.411 3.127 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000593469252 459899381 /nfs/dbraw/zinc/89/93/81/459899381.db2.gz KKHDJGHHLIUXLN-RHSMWYFYSA-N 0 0 329.400 3.376 10 5 EGBERN CO[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1(C)C ZINC000574962445 459900931 /nfs/dbraw/zinc/90/09/31/459900931.db2.gz RUMWLFXGPRHHLZ-GHMZBOCLSA-N 0 0 346.305 3.157 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC(C2(O)CC2)CC1 ZINC000593482271 459902371 /nfs/dbraw/zinc/90/23/71/459902371.db2.gz PANMNJZPQZPUFI-UHFFFAOYSA-N 0 0 341.205 3.099 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000598455229 459902425 /nfs/dbraw/zinc/90/24/25/459902425.db2.gz RHXCGUDPNCOOSP-ZDUSSCGKSA-N 0 0 334.416 3.437 10 5 EGBERN Nc1cc(N[C@@H]2CCCOc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000588013265 459902609 /nfs/dbraw/zinc/90/26/09/459902609.db2.gz JUILBTXSVIXRPF-OAHLLOKOSA-N 0 0 347.346 3.134 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598468950 459905361 /nfs/dbraw/zinc/90/53/61/459905361.db2.gz HXQRPYFMVVFGEB-INIZCTEOSA-N 0 0 340.379 3.476 10 5 EGBERN CNc1c(C(=O)N(C)C[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000598468639 459905556 /nfs/dbraw/zinc/90/55/56/459905556.db2.gz FJFOHPOZPXGSBK-CQSZACIVSA-N 0 0 339.395 3.439 10 5 EGBERN CCOc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000598470874 459906693 /nfs/dbraw/zinc/90/66/93/459906693.db2.gz ZXIZQBFQJKQFNR-NSHDSACASA-N 0 0 329.356 3.439 10 5 EGBERN Cc1cccc2c1CCC[C@H]2NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000598471137 459907254 /nfs/dbraw/zinc/90/72/54/459907254.db2.gz BFCJQUHNJAGGJA-MRXNPFEDSA-N 0 0 342.399 3.029 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2CCCc3c(C)cccc32)c1[N+](=O)[O-] ZINC000598481293 459911057 /nfs/dbraw/zinc/91/10/57/459911057.db2.gz WYSDFYAMIFFVIC-AWEZNQCLSA-N 0 0 342.399 3.386 10 5 EGBERN CC[C@H](NC(=O)Cc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000597348960 459924827 /nfs/dbraw/zinc/92/48/27/459924827.db2.gz LRTPYDGQVYNGRI-HNNXBMFYSA-N 0 0 329.356 3.270 10 5 EGBERN CCON1CCC(CC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000597347218 459925309 /nfs/dbraw/zinc/92/53/09/459925309.db2.gz BNLICFAXZNDSJB-QGZVFWFLSA-N 0 0 349.431 3.216 10 5 EGBERN Cc1nc(CNc2c3ccccc3ncc2[N+](=O)[O-])nc2ccccc12 ZINC000575110588 459928926 /nfs/dbraw/zinc/92/89/26/459928926.db2.gz JRIZVMRMNMXEET-UHFFFAOYSA-N 0 0 345.362 3.429 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232727 459934602 /nfs/dbraw/zinc/93/46/02/459934602.db2.gz ZMYVIDLPGGCFDB-KGLIPLIRSA-N 0 0 336.342 3.195 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(N3CC[C@H]4C[C@H]4C3)n2CC2CC2)cc1 ZINC000597406832 459942818 /nfs/dbraw/zinc/94/28/18/459942818.db2.gz MVXGAKWOBDZAAK-GJZGRUSLSA-N 0 0 339.399 3.110 10 5 EGBERN CCOC(=O)[C@@]1(C(C)C)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000618346594 459975834 /nfs/dbraw/zinc/97/58/34/459975834.db2.gz ZXRQGIYIHRITCC-KRWDZBQOSA-N 0 0 335.404 3.022 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000609543533 459979844 /nfs/dbraw/zinc/97/98/44/459979844.db2.gz SDJOFYNHNRGJPR-PIGZYNQJSA-N 0 0 346.408 3.115 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC1(F)F ZINC000588784435 459982531 /nfs/dbraw/zinc/98/25/31/459982531.db2.gz KOEJMHBCJJGSIN-ZDUSSCGKSA-N 0 0 327.331 3.091 10 5 EGBERN Cn1c2ccc(Nc3ccncc3[N+](=O)[O-])cc2nc1C(C)(C)C ZINC000588823390 459986689 /nfs/dbraw/zinc/98/66/89/459986689.db2.gz RJLXNLCXUGLFFH-UHFFFAOYSA-N 0 0 325.372 3.340 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677649 459989014 /nfs/dbraw/zinc/98/90/14/459989014.db2.gz QTQKBFHOBHOOTN-OCCSQVGLSA-N 0 0 336.342 3.053 10 5 EGBERN CC(C)(C)CCc1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000598682872 459992632 /nfs/dbraw/zinc/99/26/32/459992632.db2.gz PTFOZZGRBWGIRJ-UHFFFAOYSA-N 0 0 347.375 3.278 10 5 EGBERN Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cc([N+](=O)[O-])c1 ZINC000593817958 459993803 /nfs/dbraw/zinc/99/38/03/459993803.db2.gz ZAGGHMYETLKLKE-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN O=C(C1CCC(C2CC2)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597576630 459997913 /nfs/dbraw/zinc/99/79/13/459997913.db2.gz WJJCDRZSCIEOCS-UHFFFAOYSA-N 0 0 346.431 3.171 10 5 EGBERN C[C@H]1CCC[C@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609676069 460007608 /nfs/dbraw/zinc/00/76/08/460007608.db2.gz NSNYUIUUPWYQJK-QWHCGFSZSA-N 0 0 326.418 3.090 10 5 EGBERN Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597630098 460012652 /nfs/dbraw/zinc/01/26/52/460012652.db2.gz BZVXDMYHERNELG-CHWSQXEVSA-N 0 0 342.399 3.368 10 5 EGBERN O=C(CN1CCC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977668 460014474 /nfs/dbraw/zinc/01/44/74/460014474.db2.gz GCXYAIVFMCPIDI-LBPRGKRZSA-N 0 0 337.807 3.309 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597684099 460025444 /nfs/dbraw/zinc/02/54/44/460025444.db2.gz GYIKYANHWZTAIC-UHFFFAOYSA-N 0 0 342.355 3.426 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597685125 460025726 /nfs/dbraw/zinc/02/57/26/460025726.db2.gz RNBYLIHHFBEOOB-UHFFFAOYSA-N 0 0 335.335 3.013 10 5 EGBERN CCOC(=O)[C@]1(NCc2csc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000609846585 460027123 /nfs/dbraw/zinc/02/71/23/460027123.db2.gz NZFHPMPDYLNVKT-KRWDZBQOSA-N 0 0 346.408 3.151 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000598777328 460029793 /nfs/dbraw/zinc/02/97/93/460029793.db2.gz QUWFLDQLRAZDAC-LLVKDONJSA-N 0 0 328.315 3.157 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1Cl ZINC000609864033 460031646 /nfs/dbraw/zinc/03/16/46/460031646.db2.gz AXPNHIFBPQYMDY-QMMMGPOBSA-N 0 0 325.727 3.217 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598780756 460032114 /nfs/dbraw/zinc/03/21/14/460032114.db2.gz FVCJQFGIUXZJJB-UHFFFAOYSA-N 0 0 328.290 3.486 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000598780590 460032288 /nfs/dbraw/zinc/03/22/88/460032288.db2.gz RLBRNHGEUFCOCA-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723467 460039542 /nfs/dbraw/zinc/03/95/42/460039542.db2.gz KOSXHPSMPQWQHK-VCBZYWHSSA-N 0 0 344.411 3.116 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729699 460042305 /nfs/dbraw/zinc/04/23/05/460042305.db2.gz NIBALWAFWNVYEX-PBHICJAKSA-N 0 0 342.399 3.250 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000609983026 460045017 /nfs/dbraw/zinc/04/50/17/460045017.db2.gz VVLJKHFCBWIQSO-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C(C)(C)C)n1 ZINC000594017053 460057577 /nfs/dbraw/zinc/05/75/77/460057577.db2.gz PMYAWJAQTLPZNJ-UHFFFAOYSA-N 0 0 332.360 3.197 10 5 EGBERN CCc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000610097612 460062773 /nfs/dbraw/zinc/06/27/73/460062773.db2.gz KKEJIIOINYVQFT-UHFFFAOYSA-N 0 0 332.360 3.010 10 5 EGBERN COc1c(C(=O)Nc2nccc(C)c2C2CC2)cccc1[N+](=O)[O-] ZINC000598871981 460077394 /nfs/dbraw/zinc/07/73/94/460077394.db2.gz GFMJPOOLZPOIKX-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594057363 460079264 /nfs/dbraw/zinc/07/92/64/460079264.db2.gz ZBIWOUPRJKHZFJ-HOTGVXAUSA-N 0 0 333.388 3.372 10 5 EGBERN C[C@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000598880238 460081578 /nfs/dbraw/zinc/08/15/78/460081578.db2.gz HUHCNIZIFQGHLX-DYVFJYSZSA-N 0 0 332.400 3.469 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594075079 460088414 /nfs/dbraw/zinc/08/84/14/460088414.db2.gz YVVMSQFIXYFTGM-IAGOWNOFSA-N 0 0 348.399 3.071 10 5 EGBERN CC1(c2ccccc2)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598910950 460091069 /nfs/dbraw/zinc/09/10/69/460091069.db2.gz YGEZIPAKKLEABS-UHFFFAOYSA-N 0 0 346.333 3.216 10 5 EGBERN COc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000610235176 460091108 /nfs/dbraw/zinc/09/11/08/460091108.db2.gz NSLSRNALHNJKQQ-UHFFFAOYSA-N 0 0 332.400 3.329 10 5 EGBERN COC(=O)c1cc(-c2ncccc2N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000598929913 460092788 /nfs/dbraw/zinc/09/27/88/460092788.db2.gz NKMLEKSMGSXUBI-UHFFFAOYSA-N 0 0 341.367 3.434 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc3c(c2)CCOC3)c1C ZINC000598930635 460094207 /nfs/dbraw/zinc/09/42/07/460094207.db2.gz ZMZFWQCILJPKNF-UHFFFAOYSA-N 0 0 327.336 3.430 10 5 EGBERN CC(=O)c1cc(N2CCc3nc(C(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000598932824 460094628 /nfs/dbraw/zinc/09/46/28/460094628.db2.gz HFTCPDMDPBNKPE-UHFFFAOYSA-N 0 0 340.383 3.274 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCc3cccnc32)c1 ZINC000598946801 460098072 /nfs/dbraw/zinc/09/80/72/460098072.db2.gz JFOQUIBGLRZNMH-GFCCVEGCSA-N 0 0 343.408 3.172 10 5 EGBERN COc1ccc(CNC(=O)NCC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000598967115 460108060 /nfs/dbraw/zinc/10/80/60/460108060.db2.gz NZOJROCSRNTAOZ-CYBMUJFWSA-N 0 0 333.388 3.149 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597921563 460112604 /nfs/dbraw/zinc/11/26/04/460112604.db2.gz WALRHYYEUGUPTI-LBPRGKRZSA-N 0 0 348.349 3.471 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597925178 460113469 /nfs/dbraw/zinc/11/34/69/460113469.db2.gz SSMOYTGMACNUPM-KXBFYZLASA-N 0 0 346.427 3.191 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000594138687 460121536 /nfs/dbraw/zinc/12/15/36/460121536.db2.gz HILSARRTGYWHNB-CTYIDZIISA-N 0 0 345.399 3.012 10 5 EGBERN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000597944224 460122214 /nfs/dbraw/zinc/12/22/14/460122214.db2.gz JOAMIODSYWXCAR-UHFFFAOYSA-N 0 0 339.395 3.153 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCCO1 ZINC000594174341 460137826 /nfs/dbraw/zinc/13/78/26/460137826.db2.gz GQSUMEXXDVAODM-ZBFHGGJFSA-N 0 0 343.383 3.221 10 5 EGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594177258 460139259 /nfs/dbraw/zinc/13/92/59/460139259.db2.gz ZXIJSDYMWWIMBI-NSHDSACASA-N 0 0 342.342 3.304 10 5 EGBERN CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594180410 460139453 /nfs/dbraw/zinc/13/94/53/460139453.db2.gz ZREPOYCPLJERJY-STQMWFEESA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cscn1 ZINC000598013618 460144621 /nfs/dbraw/zinc/14/46/21/460144621.db2.gz ARRUWPUFYPJVLI-YPMHNXCESA-N 0 0 333.413 3.497 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598014691 460145223 /nfs/dbraw/zinc/14/52/23/460145223.db2.gz LORQHXDQJLQEHZ-ZJUUUORDSA-N 0 0 337.426 3.409 10 5 EGBERN CCC1(CC)CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[S@@]1=O ZINC000599067478 460148453 /nfs/dbraw/zinc/14/84/53/460148453.db2.gz DXFOZJFIXWSHBJ-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC2(CCCC2)O1 ZINC000594204446 460150004 /nfs/dbraw/zinc/15/00/04/460150004.db2.gz QMVLKLXOBPDHQS-CQSZACIVSA-N 0 0 347.415 3.005 10 5 EGBERN COc1c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594205460 460150622 /nfs/dbraw/zinc/15/06/22/460150622.db2.gz VTNHDVPTYUYRLW-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@](CO)(c2ccccc2)C1 ZINC000599079361 460154098 /nfs/dbraw/zinc/15/40/98/460154098.db2.gz FEAGVVCYXCRPFG-HXUWFJFHSA-N 0 0 349.390 3.283 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599102596 460161688 /nfs/dbraw/zinc/16/16/88/460161688.db2.gz NDRAWCOWWCVXLR-RISCZKNCSA-N 0 0 344.342 3.162 10 5 EGBERN CC1(C)C[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C(C)(C)O1 ZINC000599113082 460164106 /nfs/dbraw/zinc/16/41/06/460164106.db2.gz ZJFIOKTVBUITAD-JTQLQIEISA-N 0 0 332.360 3.288 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599120794 460166964 /nfs/dbraw/zinc/16/69/64/460166964.db2.gz ZFJUCNZKFZQTHV-CZUORRHYSA-N 0 0 335.404 3.162 10 5 EGBERN CC[C@H](NC(=O)NCC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599120792 460166993 /nfs/dbraw/zinc/16/69/93/460166993.db2.gz ZFJUCNZKFZQTHV-BBRMVZONSA-N 0 0 335.404 3.162 10 5 EGBERN CO[C@H](C)c1nsc(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599125385 460167832 /nfs/dbraw/zinc/16/78/32/460167832.db2.gz OHWFUVSJBIAFTJ-SECBINFHSA-N 0 0 341.414 3.325 10 5 EGBERN CCc1nn(C)c(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000599123459 460168041 /nfs/dbraw/zinc/16/80/41/460168041.db2.gz QDUSSNYUSAQULC-KWCYVHTRSA-N 0 0 332.791 3.294 10 5 EGBERN CC1(C)C[C@@H](Sc2ncc([N+](=O)[O-])cc2Br)CO1 ZINC000599125826 460169510 /nfs/dbraw/zinc/16/95/10/460169510.db2.gz SCDKXNRRNMREHE-MRVPVSSYSA-N 0 0 333.207 3.412 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)n1 ZINC000598095853 460171731 /nfs/dbraw/zinc/17/17/31/460171731.db2.gz ISDQDXRFNVVWQO-UHFFFAOYSA-N 0 0 336.436 3.488 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000598099325 460172751 /nfs/dbraw/zinc/17/27/51/460172751.db2.gz BNNYSRXHMFKHCD-SUMWQHHRSA-N 0 0 340.379 3.127 10 5 EGBERN O=[N+]([O-])c1ccsc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599139264 460172814 /nfs/dbraw/zinc/17/28/14/460172814.db2.gz PCMUYWXWWPEFKL-UHFFFAOYSA-N 0 0 336.360 3.025 10 5 EGBERN COc1c(C)cccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000594259726 460175021 /nfs/dbraw/zinc/17/50/21/460175021.db2.gz FECFCDSEUHBBLI-UHFFFAOYSA-N 0 0 343.383 3.253 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000599150567 460177103 /nfs/dbraw/zinc/17/71/03/460177103.db2.gz ZMJATUWYDWSKQT-HDJSIYSDSA-N 0 0 349.431 3.480 10 5 EGBERN CC[C@H](NC(=O)N(CCO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000610530767 460178081 /nfs/dbraw/zinc/17/80/81/460178081.db2.gz BUIBYVRYGUSJDQ-HNNXBMFYSA-N 0 0 337.420 3.096 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599151786 460178557 /nfs/dbraw/zinc/17/85/57/460178557.db2.gz GVXZUWTWZPTWDH-SHTZXODSSA-N 0 0 349.431 3.480 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598136753 460185868 /nfs/dbraw/zinc/18/58/68/460185868.db2.gz FJMRBYRZLUQHMM-ZDUSSCGKSA-N 0 0 342.342 3.046 10 5 EGBERN COCCc1ccc(Oc2c([N+](=O)[O-])c(C)nn2C)c(Cl)c1 ZINC000599184711 460192877 /nfs/dbraw/zinc/19/28/77/460192877.db2.gz HZJMUGGGWGLJRR-UHFFFAOYSA-N 0 0 325.752 3.271 10 5 EGBERN CNc1ccc(-c2nc(-c3coc(C4CC4)n3)no2)cc1[N+](=O)[O-] ZINC000599190012 460193862 /nfs/dbraw/zinc/19/38/62/460193862.db2.gz BDCVSQABJCSKKD-UHFFFAOYSA-N 0 0 327.300 3.219 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599202149 460197163 /nfs/dbraw/zinc/19/71/63/460197163.db2.gz MWPUTFSSCYLQIG-UONOGXRCSA-N 0 0 331.397 3.354 10 5 EGBERN CC(C)(C)Oc1cc(N[C@@H]2CCN(C3CCC3)C2=O)ccc1[N+](=O)[O-] ZINC000599204954 460198196 /nfs/dbraw/zinc/19/81/96/460198196.db2.gz ARVBPMUZDDRPTQ-CQSZACIVSA-N 0 0 347.415 3.337 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203504 460198693 /nfs/dbraw/zinc/19/86/93/460198693.db2.gz ZPDYJEGJIIOSDQ-DHCBQETCSA-N 0 0 338.429 3.181 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC12CC2 ZINC000599245271 460204483 /nfs/dbraw/zinc/20/44/83/460204483.db2.gz QNBIRUYIQOMQRH-HNNXBMFYSA-N 0 0 331.416 3.359 10 5 EGBERN C[C@H](C(=O)NCC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598217995 460208602 /nfs/dbraw/zinc/20/86/02/460208602.db2.gz FTKDLJGNYREXCI-XPTSAGLGSA-N 0 0 330.306 3.389 10 5 EGBERN C[C@]1(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000598217323 460208800 /nfs/dbraw/zinc/20/88/00/460208800.db2.gz YFAWQXRDBLXDSP-HNNXBMFYSA-N 0 0 341.358 3.339 10 5 EGBERN CC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594411062 460210966 /nfs/dbraw/zinc/21/09/66/460210966.db2.gz ODKWFRSUVRONAB-SJORKVTESA-N 0 0 349.431 3.251 10 5 EGBERN Cc1cccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000614723937 460212229 /nfs/dbraw/zinc/21/22/29/460212229.db2.gz VRONYPBBRONHQY-QGZVFWFLSA-N 0 0 327.384 3.319 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)c1C ZINC000599506678 460263906 /nfs/dbraw/zinc/26/39/06/460263906.db2.gz FQQWBSZDUWEFNO-BBRMVZONSA-N 0 0 338.429 3.165 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)c1[N+](=O)[O-] ZINC000599507522 460264301 /nfs/dbraw/zinc/26/43/01/460264301.db2.gz XZOUUVUXVRBJTC-BBRMVZONSA-N 0 0 338.429 3.165 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599509341 460265418 /nfs/dbraw/zinc/26/54/18/460265418.db2.gz JYUQBFVBTHEDJP-UHFFFAOYSA-N 0 0 344.820 3.203 10 5 EGBERN C[C@@H](NC(=O)Nc1cnn(C)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000611163035 460299416 /nfs/dbraw/zinc/29/94/16/460299416.db2.gz VCAMXXUUKOVGJK-MRVPVSSYSA-N 0 0 339.302 3.149 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1C(F)(F)F ZINC000611178432 460302850 /nfs/dbraw/zinc/30/28/50/460302850.db2.gz IFVMTPDCQUOKAA-AWEZNQCLSA-N 0 0 348.321 3.145 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000611231408 460313100 /nfs/dbraw/zinc/31/31/00/460313100.db2.gz DIVDGCRLJWAJAH-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN O=C(c1ocnc1C(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599724709 460320912 /nfs/dbraw/zinc/32/09/12/460320912.db2.gz NQWFGJIAEDHXGA-UHFFFAOYSA-N 0 0 337.282 3.325 10 5 EGBERN O=C(c1ccc(C(F)F)o1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599806858 460337280 /nfs/dbraw/zinc/33/72/80/460337280.db2.gz AGBRRKZQVQXDOZ-UHFFFAOYSA-N 0 0 338.266 3.029 10 5 EGBERN O=C(NCCCOCC1CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830791 460343211 /nfs/dbraw/zinc/34/32/11/460343211.db2.gz MPAZDTVTJWDBQK-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830883 460343881 /nfs/dbraw/zinc/34/38/81/460343881.db2.gz XYMAULYJUJYHSH-UHFFFAOYSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833810 460344853 /nfs/dbraw/zinc/34/48/53/460344853.db2.gz YNFMBORSJZWENU-VXGBXAGGSA-N 0 0 344.371 3.080 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835726 460345287 /nfs/dbraw/zinc/34/52/87/460345287.db2.gz NQNFWZYCZAWWKE-HOCLYGCPSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCO1 ZINC000599835706 460345600 /nfs/dbraw/zinc/34/56/00/460345600.db2.gz NIKVEJQIKNECOT-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN CCC1(O)CCC(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611374443 460346916 /nfs/dbraw/zinc/34/69/16/460346916.db2.gz JEUZCFMQOQRDOZ-POZPTJLLSA-N 0 0 335.404 3.039 10 5 EGBERN CO[C@H]([C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599840905 460346922 /nfs/dbraw/zinc/34/69/22/460346922.db2.gz VEZIJCCLWYHQNC-QLJPJBMISA-N 0 0 344.371 3.078 10 5 EGBERN COc1c(C(=O)N2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000619443640 460359631 /nfs/dbraw/zinc/35/96/31/460359631.db2.gz AGPIYCKIFZFLTB-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN COc1cc(CC2CN(c3sccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000611413461 460359757 /nfs/dbraw/zinc/35/97/57/460359757.db2.gz VMCVALKQZXZWPH-UHFFFAOYSA-N 0 0 334.397 3.352 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000619457349 460360954 /nfs/dbraw/zinc/36/09/54/460360954.db2.gz FCUMFXMFXREZGQ-UHFFFAOYSA-N 0 0 336.241 3.068 10 5 EGBERN CC[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(OC)cc1 ZINC000611525348 460387156 /nfs/dbraw/zinc/38/71/56/460387156.db2.gz YYECWGCZQUPMBI-MRXNPFEDSA-N 0 0 331.372 3.241 10 5 EGBERN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000611567133 460401434 /nfs/dbraw/zinc/40/14/34/460401434.db2.gz IRDGTIMERNPBKA-AWEZNQCLSA-N 0 0 343.387 3.042 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000611592972 460413095 /nfs/dbraw/zinc/41/30/95/460413095.db2.gz KEOIPJBQPMLBRL-LLVKDONJSA-N 0 0 329.303 3.139 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000611615698 460413386 /nfs/dbraw/zinc/41/33/86/460413386.db2.gz IIAQGJLJHUQXGG-HNNXBMFYSA-N 0 0 331.347 3.324 10 5 EGBERN COc1ccc(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])cc1OC ZINC000611615524 460413719 /nfs/dbraw/zinc/41/37/19/460413719.db2.gz PURBQQAFZFYWDI-UHFFFAOYSA-N 0 0 331.372 3.260 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000611614973 460414387 /nfs/dbraw/zinc/41/43/87/460414387.db2.gz PPOVAQRRWAVCAW-NSHDSACASA-N 0 0 326.299 3.211 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600170929 460419434 /nfs/dbraw/zinc/41/94/34/460419434.db2.gz TZKJFKLNDODFAA-MXWKQRLJSA-N 0 0 340.326 3.362 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC(c4ccccn4)CC3)c2c1 ZINC000611711940 460436988 /nfs/dbraw/zinc/43/69/88/460436988.db2.gz BWRQRRLOOOKVOI-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000600206924 460440325 /nfs/dbraw/zinc/44/03/25/460440325.db2.gz HQSWKSKXZOCGPC-CGTJXYLNSA-N 0 0 342.782 3.245 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(C)C)cc1 ZINC000604564124 460449475 /nfs/dbraw/zinc/44/94/75/460449475.db2.gz VCLXYGDJEWHLDO-UHFFFAOYSA-N 0 0 327.384 3.394 10 5 EGBERN COc1cc(N2CC[C@H](Cc3ccncc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611763906 460455542 /nfs/dbraw/zinc/45/55/42/460455542.db2.gz OUKPBVXQZGLZCW-CYBMUJFWSA-N 0 0 331.347 3.207 10 5 EGBERN CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccccc1[N+](=O)[O-] ZINC000600270611 460461972 /nfs/dbraw/zinc/46/19/72/460461972.db2.gz CYGJNHADMVKBLY-OLZOCXBDSA-N 0 0 334.441 3.369 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600366436 460483403 /nfs/dbraw/zinc/48/34/03/460483403.db2.gz UGFVQPRHUVFADD-FRQCXROJSA-N 0 0 346.427 3.146 10 5 EGBERN CC(C)(C(=O)N1CC(Cc2ccco2)C1)c1ccccc1[N+](=O)[O-] ZINC000600369989 460485769 /nfs/dbraw/zinc/48/57/69/460485769.db2.gz HQWFXQRJQHVZAY-UHFFFAOYSA-N 0 0 328.368 3.167 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000600421171 460492888 /nfs/dbraw/zinc/49/28/88/460492888.db2.gz OKMZDFZXTJCIAS-OAHLLOKOSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(=O)C1(C)CCCC1 ZINC000600486708 460505343 /nfs/dbraw/zinc/50/53/43/460505343.db2.gz QPDAMCSWKZDYFP-UHFFFAOYSA-N 0 0 338.791 3.436 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000600522464 460511732 /nfs/dbraw/zinc/51/17/32/460511732.db2.gz PRPGNTMJVKXTJR-SMDDNHRTSA-N 0 0 336.413 3.004 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000600520689 460511735 /nfs/dbraw/zinc/51/17/35/460511735.db2.gz QVXDQYCYOHFEAH-CZUORRHYSA-N 0 0 332.400 3.190 10 5 EGBERN O=C(CSc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000600538160 460515424 /nfs/dbraw/zinc/51/54/24/460515424.db2.gz TUSTUJGDWUZQRJ-UHFFFAOYSA-N 0 0 339.373 3.438 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1=O ZINC000600536849 460515728 /nfs/dbraw/zinc/51/57/28/460515728.db2.gz MUKNYNKJLHPGTA-WDEREUQCSA-N 0 0 346.305 3.003 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@H]2COC(C)(C)C2)c1 ZINC000600573729 460529378 /nfs/dbraw/zinc/52/93/78/460529378.db2.gz SPXCFOYEJNJTNW-GFCCVEGCSA-N 0 0 325.386 3.182 10 5 EGBERN CC1(C)C[C@@H](SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000600580465 460532729 /nfs/dbraw/zinc/53/27/29/460532729.db2.gz PRCBQLZAHKANBD-SNVBAGLBSA-N 0 0 344.820 3.487 10 5 EGBERN COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000601212810 460752148 /nfs/dbraw/zinc/75/21/48/460752148.db2.gz OOEARRSMAIUCBA-UHFFFAOYSA-N 0 0 335.328 3.488 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000617149127 460759586 /nfs/dbraw/zinc/75/95/86/460759586.db2.gz BAAFTCHQTJJTPN-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCC3([C@@H]4CCCCO4)CCC3)c21 ZINC000601242151 460763171 /nfs/dbraw/zinc/76/31/71/460763171.db2.gz OZCMEEXNFZJQPQ-HNNXBMFYSA-N 0 0 342.399 3.111 10 5 EGBERN Cc1nc(N2CC[C@H](c3ccc4cccnc4n3)C2)ccc1[N+](=O)[O-] ZINC000601255870 460766427 /nfs/dbraw/zinc/76/64/27/460766427.db2.gz GJXQAIBADVXWDI-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN CN(Cc1ccc(O)cc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601302594 460781847 /nfs/dbraw/zinc/78/18/47/460781847.db2.gz RKGJGLVFEGRBEJ-UHFFFAOYSA-N 0 0 340.379 3.381 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C3CCCC2CCC3)cc1[N+](=O)[O-] ZINC000617238197 460782808 /nfs/dbraw/zinc/78/28/08/460782808.db2.gz DVGJBOXTOBPEBT-UHFFFAOYSA-N 0 0 338.429 3.307 10 5 EGBERN Cc1ccc(-c2noc(Cc3cnn4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000601357798 460793654 /nfs/dbraw/zinc/79/36/54/460793654.db2.gz WZIBNDYWIBCGCI-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CCc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601355297 460794035 /nfs/dbraw/zinc/79/40/35/460794035.db2.gz NKMSGNSGBPLCGP-UHFFFAOYSA-N 0 0 326.356 3.008 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2(C)CCCCC2)C1=O ZINC000613070957 460819017 /nfs/dbraw/zinc/81/90/17/460819017.db2.gz MXDNXSWRVGDZOU-SFHVURJKSA-N 0 0 345.399 3.332 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)c(C)ccc3C)n1 ZINC000617364423 460833476 /nfs/dbraw/zinc/83/34/76/460833476.db2.gz OEKYNGRSAXRGDF-UHFFFAOYSA-N 0 0 345.384 3.290 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000601570289 460835412 /nfs/dbraw/zinc/83/54/12/460835412.db2.gz GXWDEVFQXIXAGJ-INIZCTEOSA-N 0 0 334.416 3.191 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000601601698 460844679 /nfs/dbraw/zinc/84/46/79/460844679.db2.gz GODPMLUYOGMVNU-MRVPVSSYSA-N 0 0 336.747 3.206 10 5 EGBERN CC1(C)CCC[C@@]1(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601606730 460845331 /nfs/dbraw/zinc/84/53/31/460845331.db2.gz KJEQBVOLGYSUEA-LJQANCHMSA-N 0 0 346.427 3.074 10 5 EGBERN O=C(N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC000601611291 460846586 /nfs/dbraw/zinc/84/65/86/460846586.db2.gz GSFXCCGPMSTWBZ-WDYCEAGBSA-N 0 0 344.411 3.260 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601624547 460850090 /nfs/dbraw/zinc/85/00/90/460850090.db2.gz FMZHLMMJTWPUIW-HZPDHXFCSA-N 0 0 332.400 3.090 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2nccs2)CC1 ZINC000601743382 460886692 /nfs/dbraw/zinc/88/66/92/460886692.db2.gz POHDTMRTHNPXOS-UHFFFAOYSA-N 0 0 345.424 3.075 10 5 EGBERN COC(=O)C12CCC(CC1)N2C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000601831119 460915076 /nfs/dbraw/zinc/91/50/76/460915076.db2.gz JFEDBWYNEJHSSI-UHFFFAOYSA-N 0 0 346.383 3.028 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(CCF)CC1 ZINC000601866387 460930021 /nfs/dbraw/zinc/93/00/21/460930021.db2.gz ZPBKANLJLCRFMW-UHFFFAOYSA-N 0 0 347.394 3.449 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000601882212 460934784 /nfs/dbraw/zinc/93/47/84/460934784.db2.gz BKCVYQXHWAWUMU-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000601882565 460935721 /nfs/dbraw/zinc/93/57/21/460935721.db2.gz HPCGKDYNLNFWBV-SJORKVTESA-N 0 0 343.383 3.154 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000601887645 460936848 /nfs/dbraw/zinc/93/68/48/460936848.db2.gz SMXPWHBKDZSHEB-WBVHZDCISA-N 0 0 344.367 3.419 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000617752359 460966739 /nfs/dbraw/zinc/96/67/39/460966739.db2.gz VHWBMAZZHWTXOE-ZIAGYGMSSA-N 0 0 340.379 3.015 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)nn1-c1ccc(C)cc1 ZINC000537249152 468360565 /nfs/dbraw/zinc/36/05/65/468360565.db2.gz VNPMBNIPGKDDHJ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000188697336 518192658 /nfs/dbraw/zinc/19/26/58/518192658.db2.gz IVJCPKRNTBZUGI-UHFFFAOYSA-N 0 0 331.397 3.242 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1ncon1 ZINC000184096471 527527082 /nfs/dbraw/zinc/52/70/82/527527082.db2.gz HDUJLMFMDURJDD-PABFRNLHSA-N 0 0 342.355 3.135 10 5 EGBERN CCOc1cc(OC[C@@H](O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000190691607 528334506 /nfs/dbraw/zinc/33/45/06/528334506.db2.gz DPRRSFZEMQCHGY-OAHLLOKOSA-N 0 0 339.294 3.384 10 5 EGBERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187452936 528788283 /nfs/dbraw/zinc/78/82/83/528788283.db2.gz MHUKFJIPZOFUGZ-DLBZAZTESA-N 0 0 332.400 3.257 10 5 EGBERN CC(C)(C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000339554841 535012427 /nfs/dbraw/zinc/01/24/27/535012427.db2.gz ZLIYULDHAOBLFO-UHFFFAOYSA-N 0 0 342.399 3.002 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2c2cc(C)on2)cc(C)c1[N+](=O)[O-] ZINC000363859952 536512437 /nfs/dbraw/zinc/51/24/37/536512437.db2.gz ZBRJUZMDAAPAJX-OAHLLOKOSA-N 0 0 345.355 3.328 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000106600550 536913411 /nfs/dbraw/zinc/91/34/11/536913411.db2.gz XCEALCRQZWRUSL-HUUCEWRRSA-N 0 0 342.351 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000728202201 574729443 /nfs/dbraw/zinc/72/94/43/574729443.db2.gz VXDRRUVEXJSKBG-NSHDSACASA-N 0 0 343.339 3.463 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000728252129 574733781 /nfs/dbraw/zinc/73/37/81/574733781.db2.gz CRAJHJQYRXSGPU-IVEQORNPSA-N 0 0 338.363 3.475 10 5 EGBERN O=C(NCCSCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731453905 575074065 /nfs/dbraw/zinc/07/40/65/575074065.db2.gz SKASNCSQCYFJSP-UHFFFAOYSA-N 0 0 334.372 3.397 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCSCC1 ZINC000733051882 575303730 /nfs/dbraw/zinc/30/37/30/575303730.db2.gz BPGOCHHSDGIILA-UHFFFAOYSA-N 0 0 325.386 3.180 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1noc(-c2ccccc2)n1 ZINC000733109868 575309705 /nfs/dbraw/zinc/30/97/05/575309705.db2.gz ORYVUAQTPUWCGO-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN Cc1ccccc1-c1noc(=O)n1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735415746 575664174 /nfs/dbraw/zinc/66/41/74/575664174.db2.gz QABUHSMOFSIUKW-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN COC(=O)[C@H](CC(C)C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000735907687 575730272 /nfs/dbraw/zinc/73/02/72/575730272.db2.gz XDNHTIQKNAFPOO-LBPRGKRZSA-N 0 0 341.385 3.061 10 5 EGBERN CC(C)N1C(=O)CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000743859853 576817241 /nfs/dbraw/zinc/81/72/41/576817241.db2.gz RILHPLYWTAFZRF-UHFFFAOYSA-N 0 0 339.823 3.079 10 5 EGBERN COc1ccccc1NCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745016748 576838612 /nfs/dbraw/zinc/83/86/12/576838612.db2.gz NKIZRLAFLAGEKF-LBPRGKRZSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1cc(Br)cc(NCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000877423923 1299289407 /nfs/dbraw/zinc/28/94/07/1299289407.db2.gz CLCJMTIMQRUGRV-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN COc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1CO ZINC000133083485 1293736407 /nfs/dbraw/zinc/73/64/07/1293736407.db2.gz UFBOUXPKNCJNMN-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccn(C2CC2)c1=O ZINC000869992725 1295585342 /nfs/dbraw/zinc/58/53/42/1295585342.db2.gz PCVGBXAREXLNFE-UHFFFAOYSA-N 0 0 348.742 3.102 10 5 EGBERN COc1cncc(C(=O)O[C@@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])c1C ZINC000870455318 1295881840 /nfs/dbraw/zinc/88/18/40/1295881840.db2.gz XBPCGJJCZYZADA-MEDUHNTESA-N 0 0 348.330 3.101 10 5 EGBERN CC(C)Oc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870826809 1296104582 /nfs/dbraw/zinc/10/45/82/1296104582.db2.gz OFRBHYSKUKIEKH-UHFFFAOYSA-N 0 0 345.355 3.139 10 5 EGBERN C/C(=C/c1ccc(C)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827718 1296106449 /nfs/dbraw/zinc/10/64/49/1296106449.db2.gz FHRVLASMDHPSRG-QPEQYQDCSA-N 0 0 341.367 3.450 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)/C(F)=C\C1CCCCC1 ZINC000870828376 1296106562 /nfs/dbraw/zinc/10/65/62/1296106562.db2.gz PSHPTGYMOAJXFA-GIDUJCDVSA-N 0 0 337.351 3.472 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000871096552 1296222361 /nfs/dbraw/zinc/22/23/61/1296222361.db2.gz RUHZNHQJPOLLHJ-HOMQSWHASA-N 0 0 326.393 3.022 10 5 EGBERN C/C(=C\C(=O)NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000871215125 1296279235 /nfs/dbraw/zinc/27/92/35/1296279235.db2.gz OPMYIRNIGPNHIK-MDZDMXLPSA-N 0 0 332.278 3.388 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000871576925 1296438461 /nfs/dbraw/zinc/43/84/61/1296438461.db2.gz GCAMXVGGANQLLO-ZDUSSCGKSA-N 0 0 344.367 3.278 10 5 EGBERN C/C(=C\C(=O)NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000871583791 1296442505 /nfs/dbraw/zinc/44/25/05/1296442505.db2.gz XOJJTRFAHMWPNE-WCRPCQDQSA-N 0 0 344.411 3.321 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OC[C@@H]2CC3(CO2)CCOCC3)cc1Cl ZINC000871695011 1296485452 /nfs/dbraw/zinc/48/54/52/1296485452.db2.gz WBQPTJPCILPUGO-JTQLQIEISA-N 0 0 345.754 3.352 10 5 EGBERN O=C(N1CCCCc2cccnc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000872290836 1296898289 /nfs/dbraw/zinc/89/82/89/1296898289.db2.gz FPEMYGPYZAJHDL-UHFFFAOYSA-N 0 0 347.321 3.451 10 5 EGBERN CN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312226649 1297114416 /nfs/dbraw/zinc/11/44/16/1297114416.db2.gz HZIBPGVJFZSOAC-UHFFFAOYSA-N 0 0 342.193 3.015 10 5 EGBERN CC(C)(C)[C@@H]1C[C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000873572499 1297597143 /nfs/dbraw/zinc/59/71/43/1297597143.db2.gz WHNGRVBRMSNFJZ-KGLIPLIRSA-N 0 0 325.336 3.484 10 5 EGBERN Cc1c(CC(=O)O[C@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873576211 1297600427 /nfs/dbraw/zinc/60/04/27/1297600427.db2.gz LNZTWRABFZFIHK-HNNXBMFYSA-N 0 0 333.384 3.481 10 5 EGBERN CC[C@H](CCc1cccnc1)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000873586017 1297611882 /nfs/dbraw/zinc/61/18/82/1297611882.db2.gz KGZUBUROZHLXRN-QGZVFWFLSA-N 0 0 328.368 3.487 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1cc(Br)no1 ZINC000718898652 1298310609 /nfs/dbraw/zinc/31/06/09/1298310609.db2.gz CNVBNHGVAOEFKC-UHFFFAOYSA-N 0 0 333.529 3.006 10 5 EGBERN O=[N+]([O-])c1c(F)cc(F)cc1NCc1cc(Br)no1 ZINC000718871737 1298311944 /nfs/dbraw/zinc/31/19/44/1298311944.db2.gz ALKSPFZRXFJGBY-UHFFFAOYSA-N 0 0 334.076 3.236 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880533143 1301150676 /nfs/dbraw/zinc/15/06/76/1301150676.db2.gz INHQDFAJCOCEMR-WCQYABFASA-N 0 0 348.399 3.311 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCCCO2)CC1 ZINC000882435296 1301964432 /nfs/dbraw/zinc/96/44/32/1301964432.db2.gz BEHFJVYPQGURFB-UHFFFAOYSA-N 0 0 332.400 3.089 10 5 EGBERN CC(=O)c1c(NCc2cccnc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000882581265 1302027276 /nfs/dbraw/zinc/02/72/76/1302027276.db2.gz RFYDAORMWJKPCE-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@](O)(c2ccccc2)C1 ZINC000882651075 1302046318 /nfs/dbraw/zinc/04/63/18/1302046318.db2.gz AERVGXVKNVXRSU-IBGZPJMESA-N 0 0 340.379 3.285 10 5 EGBERN CC(=O)N1CC[C@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 ZINC000887281287 1303730903 /nfs/dbraw/zinc/73/09/03/1303730903.db2.gz UQKUTZDIEBAMRL-ZDUSSCGKSA-N 0 0 331.397 3.363 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000890504439 1304805811 /nfs/dbraw/zinc/80/58/11/1304805811.db2.gz KTRKTRGGAIUEDL-GOOCMWNKSA-N 0 0 334.441 3.270 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@]1(C)C1CC1 ZINC000890588206 1304825893 /nfs/dbraw/zinc/82/58/93/1304825893.db2.gz MIPJIKCPNTXQHO-FWFZHJKVSA-N 0 0 330.384 3.026 10 5 EGBERN CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893861301 1306102304 /nfs/dbraw/zinc/10/23/04/1306102304.db2.gz ITYDHRIXUBJYJI-CMPLNLGQSA-N 0 0 326.780 3.183 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893862047 1306102920 /nfs/dbraw/zinc/10/29/20/1306102920.db2.gz VSUAQOQDODQPFG-GXFFZTMASA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000893923006 1306131555 /nfs/dbraw/zinc/13/15/55/1306131555.db2.gz DDEQNSORVOZLSL-CJNGLKHVSA-N 0 0 338.791 3.388 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(F)F ZINC000894039063 1306186924 /nfs/dbraw/zinc/18/69/24/1306186924.db2.gz GLOPUDUNNJDEDF-ZCFIWIBFSA-N 0 0 337.120 3.049 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386577 1306371197 /nfs/dbraw/zinc/37/11/97/1306371197.db2.gz JYCPXLBLHQNPSY-WFASDCNBSA-N 0 0 342.317 3.328 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894402635 1308856179 /nfs/dbraw/zinc/85/61/79/1308856179.db2.gz PJNRPBDZZSAEQX-WBVHZDCISA-N 0 0 346.427 3.239 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000894525229 1308937197 /nfs/dbraw/zinc/93/71/97/1308937197.db2.gz GUYWFOMYJLUSJT-LBPRGKRZSA-N 0 0 336.363 3.121 10 5 EGBERN Cc1ccnc(N)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894579119 1308964795 /nfs/dbraw/zinc/96/47/95/1308964795.db2.gz FMPNRZBKCQOMOE-UHFFFAOYSA-N 0 0 340.305 3.189 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000894663649 1309011208 /nfs/dbraw/zinc/01/12/08/1309011208.db2.gz NOZCUTQRHHMVFB-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H]([C@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894704147 1309029151 /nfs/dbraw/zinc/02/91/51/1309029151.db2.gz NCYWJGQJGGFOEN-FONJURLJSA-N 0 0 330.384 3.026 10 5 EGBERN CCn1cc(Cl)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000894898419 1309119596 /nfs/dbraw/zinc/11/95/96/1309119596.db2.gz GBUZDXMGDPKQFL-MRVPVSSYSA-N 0 0 340.742 3.346 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000895445064 1309340090 /nfs/dbraw/zinc/34/00/90/1309340090.db2.gz HNKVLTORFBUELP-MFKMUULPSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896086907 1309694389 /nfs/dbraw/zinc/69/43/89/1309694389.db2.gz CPWQPCMNFRVUJH-FYBVGQRMSA-N 0 0 333.171 3.117 10 5 EGBERN CC(C)(CCc1noc(C[C@@H]2CCc3sccc3C2=O)n1)[N+](=O)[O-] ZINC000896315943 1309801367 /nfs/dbraw/zinc/80/13/67/1309801367.db2.gz WGERVDUOAXQONE-JTQLQIEISA-N 0 0 349.412 3.107 10 5 EGBERN CC(=O)c1cc(NCC[C@H](NC2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000897229246 1310231964 /nfs/dbraw/zinc/23/19/64/1310231964.db2.gz SDTALQFXRJXVMK-AWEZNQCLSA-N 0 0 345.321 3.282 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](Cc2nccs2)C1 ZINC000897284733 1310268766 /nfs/dbraw/zinc/26/87/66/1310268766.db2.gz PXFOREUCYVXKJK-LBPRGKRZSA-N 0 0 331.397 3.323 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1([C@@H]2CCCCO2)CC1 ZINC000929212417 1328538515 /nfs/dbraw/zinc/53/85/15/1328538515.db2.gz PMTSBYNERUTUMQ-ZDUSSCGKSA-N 0 0 339.779 3.471 10 5 EGBERN Cc1c(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000929228882 1328543157 /nfs/dbraw/zinc/54/31/57/1328543157.db2.gz WFVDXEYCKHVNNN-SKDRFNHKSA-N 0 0 332.278 3.342 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000857572043 1328550573 /nfs/dbraw/zinc/55/05/73/1328550573.db2.gz RLZINWKTLSZDGU-CYBMUJFWSA-N 0 0 338.335 3.040 10 5 EGBERN C/C(=C/C(=O)NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000857970995 1328644342 /nfs/dbraw/zinc/64/43/42/1328644342.db2.gz UZHQPMKIENSQCE-DVFVSVACSA-N 0 0 337.379 3.239 10 5 EGBERN CCC(O)(CC)CN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913339413 1319007568 /nfs/dbraw/zinc/00/75/68/1319007568.db2.gz BGXYIGRNWAOMPZ-UHFFFAOYSA-N 0 0 342.823 3.190 10 5 EGBERN O=C(CCCn1cccc1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384764 1319020206 /nfs/dbraw/zinc/02/02/06/1319020206.db2.gz FHJRMTXGYJTLAG-UHFFFAOYSA-N 0 0 339.754 3.285 10 5 EGBERN C[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000913385106 1319020368 /nfs/dbraw/zinc/02/03/68/1319020368.db2.gz PLEUHNRUGUFXKX-YFKPBYRVSA-N 0 0 328.649 3.202 10 5 EGBERN CCC1=C(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000913384940 1319020394 /nfs/dbraw/zinc/02/03/94/1319020394.db2.gz KFGLVMAYZMGXBQ-UHFFFAOYSA-N 0 0 342.754 3.478 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CCC1 ZINC000913385674 1319020403 /nfs/dbraw/zinc/02/04/03/1319020403.db2.gz HCAIPJWIUJHFAH-WDEREUQCSA-N 0 0 326.755 3.440 10 5 EGBERN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385139 1319020731 /nfs/dbraw/zinc/02/07/31/1319020731.db2.gz QSRZYUIBQNYGAU-LDYMZIIASA-N 0 0 342.754 3.009 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387725 1319022929 /nfs/dbraw/zinc/02/29/29/1319022929.db2.gz QYCOQYJECMCBPQ-GRLWKWRFSA-N 0 0 326.755 3.296 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)c1 ZINC000858616091 1328810965 /nfs/dbraw/zinc/81/09/65/1328810965.db2.gz YPQXKTOQDNQWCB-LBPRGKRZSA-N 0 0 328.328 3.200 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000913824596 1319137481 /nfs/dbraw/zinc/13/74/81/1319137481.db2.gz VYEYHSFMCDEKNP-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN C[C@H](NS(=O)(=O)CCCC(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC000914330934 1319297323 /nfs/dbraw/zinc/29/73/23/1319297323.db2.gz GOZYEUYENWYNHT-JTQLQIEISA-N 0 0 336.360 3.011 10 5 EGBERN Cc1ccc(-c2nnc(COC(=O)c3ccc([N+](=O)[O-])s3)o2)cc1 ZINC000914796885 1319381792 /nfs/dbraw/zinc/38/17/92/1319381792.db2.gz OAICVJCPAZSWRQ-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000930315462 1328832068 /nfs/dbraw/zinc/83/20/68/1328832068.db2.gz JSEBXRYXQFKVHF-ZFWWWQNUSA-N 0 0 333.388 3.291 10 5 EGBERN COc1cc(N2CCC[C@](O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000858716191 1328836589 /nfs/dbraw/zinc/83/65/89/1328836589.db2.gz LSBTZTPXCBVZIV-GOSISDBHSA-N 0 0 346.358 3.231 10 5 EGBERN CC1=NO[C@@H](CSc2nc3cc4ccccc4cc3c(=O)n2C)C1 ZINC000916203190 1319619564 /nfs/dbraw/zinc/61/95/64/1319619564.db2.gz LOPOPYGEVNXJCD-CQSZACIVSA-N 0 0 339.420 3.344 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000858737436 1328847265 /nfs/dbraw/zinc/84/72/65/1328847265.db2.gz YDEOEOZFDXNKBI-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN O=C(O[C@@H]1CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000917522274 1319826137 /nfs/dbraw/zinc/82/61/37/1319826137.db2.gz XKYJVYIXSKHSEI-OAHLLOKOSA-N 0 0 341.319 3.210 10 5 EGBERN COc1ccc(CNC(=S)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000917597204 1319846576 /nfs/dbraw/zinc/84/65/76/1319846576.db2.gz GOCSKNBPOQORFY-UHFFFAOYSA-N 0 0 335.360 3.229 10 5 EGBERN Cc1ccc(-c2nn(C)cc2-c2nc(CCC(C)(C)[N+](=O)[O-])no2)o1 ZINC000858773774 1328857806 /nfs/dbraw/zinc/85/78/06/1328857806.db2.gz LPNGEEQBZCSRDQ-UHFFFAOYSA-N 0 0 345.359 3.026 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@H]1CC[C@H](C2CC2)O1 ZINC000918657698 1319984233 /nfs/dbraw/zinc/98/42/33/1319984233.db2.gz HJIYAAPMOFHDJW-NXEZZACHSA-N 0 0 343.177 3.089 10 5 EGBERN CCO[C@H](COC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000859446288 1328988418 /nfs/dbraw/zinc/98/84/18/1328988418.db2.gz BRIMMFUCFUPLPO-CYBMUJFWSA-N 0 0 325.386 3.045 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859450373 1328989768 /nfs/dbraw/zinc/98/97/68/1328989768.db2.gz PGBKSGAIWZNAQX-IUCAKERBSA-N 0 0 349.261 3.282 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921679455 1322376884 /nfs/dbraw/zinc/37/68/84/1322376884.db2.gz DIQHFTJSNJTYEB-INIZCTEOSA-N 0 0 349.431 3.126 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCSC2(CCC2)C1 ZINC000921680343 1322377218 /nfs/dbraw/zinc/37/72/18/1322377218.db2.gz ICSWTNVITGSXKM-AWEZNQCLSA-N 0 0 349.456 3.255 10 5 EGBERN C[C@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921806664 1322400468 /nfs/dbraw/zinc/40/04/68/1322400468.db2.gz LFXMZTFXDSKTIK-UONOGXRCSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000921807979 1322401273 /nfs/dbraw/zinc/40/12/73/1322401273.db2.gz WLCKHVKNLAORKT-WFASDCNBSA-N 0 0 340.383 3.428 10 5 EGBERN C[C@@H]1C[C@@H]1COC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000859588559 1329027377 /nfs/dbraw/zinc/02/73/77/1329027377.db2.gz JFXPNSHHOMUZJD-PSASIEDQSA-N 0 0 328.162 3.099 10 5 EGBERN CC(C)(C)Oc1cccc(COC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000922395213 1322519119 /nfs/dbraw/zinc/51/91/19/1322519119.db2.gz SJYSWNUDCKEGIZ-UHFFFAOYSA-N 0 0 347.371 3.102 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922539122 1322552026 /nfs/dbraw/zinc/55/20/26/1322552026.db2.gz AUHDEZWOJCIKAJ-QFYYESIMSA-N 0 0 341.342 3.391 10 5 EGBERN C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000922540888 1322552457 /nfs/dbraw/zinc/55/24/57/1322552457.db2.gz MUUNVWQFVSHUAM-SECBINFHSA-N 0 0 328.294 3.198 10 5 EGBERN Cc1c(CC(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922547075 1322553715 /nfs/dbraw/zinc/55/37/15/1322553715.db2.gz LKGIQICQEWJMJV-AAEUAGOBSA-N 0 0 347.289 3.099 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000922917392 1322648853 /nfs/dbraw/zinc/64/88/53/1322648853.db2.gz GPBNPVSPBPLORC-XCBNKYQSSA-N 0 0 337.225 3.001 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)C2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000923332436 1322735093 /nfs/dbraw/zinc/73/50/93/1322735093.db2.gz JEYISJVJEVTPDM-LBPRGKRZSA-N 0 0 346.383 3.354 10 5 EGBERN CCOc1cc(COC(=O)c2cc(C)c(C)cn2)ccc1[N+](=O)[O-] ZINC000923785831 1322809111 /nfs/dbraw/zinc/80/91/11/1322809111.db2.gz NSUUVTINXNYONH-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCC[C@H]1CCOC1 ZINC000923960742 1322855796 /nfs/dbraw/zinc/85/57/96/1322855796.db2.gz DRQSXJNAJXFPRT-LBPRGKRZSA-N 0 0 325.336 3.026 10 5 EGBERN Cc1nccn1CCCCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923961765 1322856452 /nfs/dbraw/zinc/85/64/52/1322856452.db2.gz HDNJZQUOEWKWGJ-UHFFFAOYSA-N 0 0 349.362 3.195 10 5 EGBERN C[C@H](OC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC000923963150 1322857893 /nfs/dbraw/zinc/85/78/93/1322857893.db2.gz SDPMYLJPLRWIER-JTQLQIEISA-N 0 0 335.287 3.074 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@H]1CC=CCC1 ZINC000924243463 1322949852 /nfs/dbraw/zinc/94/98/52/1322949852.db2.gz FDXWBAOJJNJMPZ-ZDUSSCGKSA-N 0 0 332.356 3.131 10 5 EGBERN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)OCc1cccnc1[N+](=O)[O-] ZINC000924257806 1322955155 /nfs/dbraw/zinc/95/51/55/1322955155.db2.gz PSRDHKYFUZEOOR-CVEARBPZSA-N 0 0 326.352 3.302 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000924374371 1323000821 /nfs/dbraw/zinc/00/08/21/1323000821.db2.gz TUVGIMAKWYUIMX-CLLJXQQHSA-N 0 0 347.367 3.331 10 5 EGBERN C[C@]1(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C=CCC1 ZINC000924408363 1323010894 /nfs/dbraw/zinc/01/08/94/1323010894.db2.gz KMMLCWNKWUPJNL-HNNXBMFYSA-N 0 0 338.747 3.086 10 5 EGBERN C[C@H](CC(F)(F)F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859717930 1329062486 /nfs/dbraw/zinc/06/24/86/1329062486.db2.gz QNACTLNLTONFBS-SSDOTTSWSA-N 0 0 337.225 3.048 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@]2(CCCOC2)C1 ZINC000859817497 1329085104 /nfs/dbraw/zinc/08/51/04/1329085104.db2.gz POSWOTJZJSOFGW-INIZCTEOSA-N 0 0 338.791 3.281 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000931313716 1329092144 /nfs/dbraw/zinc/09/21/44/1329092144.db2.gz NJCBVTQGWQOFRC-NTMALXAHSA-N 0 0 342.351 3.272 10 5 EGBERN O=C(NC[C@@H]1CSCCS1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859958167 1329119087 /nfs/dbraw/zinc/11/90/87/1329119087.db2.gz PDAMVVYRKSUHPK-CYBMUJFWSA-N 0 0 348.449 3.326 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC1CC1 ZINC000931495152 1329130246 /nfs/dbraw/zinc/13/02/46/1329130246.db2.gz DCUUCPVRRMUDEL-HNNXBMFYSA-N 0 0 333.388 3.190 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC000860162419 1329163235 /nfs/dbraw/zinc/16/32/35/1329163235.db2.gz WNKPHTUVUWKATH-QWHCGFSZSA-N 0 0 349.339 3.325 10 5 EGBERN CCOc1cc(CN2CCc3nc[nH]c3C23CCC3)ccc1[N+](=O)[O-] ZINC000931680381 1329162781 /nfs/dbraw/zinc/16/27/81/1329162781.db2.gz VBFSBKMWSFPGAV-UHFFFAOYSA-N 0 0 342.399 3.154 10 5 EGBERN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)n1[C@@H]1CCOC1 ZINC000860253987 1329183286 /nfs/dbraw/zinc/18/32/86/1329183286.db2.gz OBPKHEYMIZLMSU-MRXNPFEDSA-N 0 0 344.367 3.332 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259378 1329184058 /nfs/dbraw/zinc/18/40/58/1329184058.db2.gz DFVHOIKZBPSYDT-YDEXJTGXSA-N 0 0 327.768 3.182 10 5 EGBERN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000927401882 1328007756 /nfs/dbraw/zinc/00/77/56/1328007756.db2.gz KCILWWKSOMFSKT-VGPLMAKISA-N 0 0 345.424 3.480 10 5 EGBERN COC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000927586001 1328071909 /nfs/dbraw/zinc/07/19/09/1328071909.db2.gz GXHWBFZIJSRXSO-HNNXBMFYSA-N 0 0 349.431 3.187 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000927614232 1328079740 /nfs/dbraw/zinc/07/97/40/1328079740.db2.gz VWUKWSBBGFPAKG-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000928239137 1328249033 /nfs/dbraw/zinc/24/90/33/1328249033.db2.gz ONABADVAZMMBLF-CYBMUJFWSA-N 0 0 335.404 3.056 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000928244067 1328252463 /nfs/dbraw/zinc/25/24/63/1328252463.db2.gz ZRQGULLOPPKYKY-HNNXBMFYSA-N 0 0 334.416 3.252 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247338 1328254143 /nfs/dbraw/zinc/25/41/43/1328254143.db2.gz SLAYLRNPIKLISJ-ABAIWWIYSA-N 0 0 348.399 3.140 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(F)(F)CC1 ZINC000861357515 1329411878 /nfs/dbraw/zinc/41/18/78/1329411878.db2.gz AGTFQHOMVSYIQG-UHFFFAOYSA-N 0 0 336.298 3.406 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CCC(=O)C1 ZINC000861444869 1329418824 /nfs/dbraw/zinc/41/88/24/1329418824.db2.gz DFKOYCDBLWKCSL-SKDRFNHKSA-N 0 0 331.246 3.111 10 5 EGBERN O=C(N[C@@H](CO)CC1CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861463379 1329419826 /nfs/dbraw/zinc/41/98/26/1329419826.db2.gz WLOZTWMSIDHBSB-CQSZACIVSA-N 0 0 328.368 3.029 10 5 EGBERN CC(C)C[C@H]1C(=O)N(C[C@@H](C)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000929003078 1328487722 /nfs/dbraw/zinc/48/77/22/1328487722.db2.gz QVXYSVMFXSWHHP-DOMZBBRYSA-N 0 0 333.388 3.007 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000861814686 1329443080 /nfs/dbraw/zinc/44/30/80/1329443080.db2.gz TYLPTUJHGLGXRO-IINYFYTJSA-N 0 0 341.205 3.120 10 5 EGBERN O=C(NCC1(CF)CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861896416 1329448877 /nfs/dbraw/zinc/44/88/77/1329448877.db2.gz UIQVRUXQYZYUMW-UHFFFAOYSA-N 0 0 346.358 3.244 10 5 EGBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)CO1 ZINC000862128066 1329460755 /nfs/dbraw/zinc/46/07/55/1329460755.db2.gz YLUOVMORSCMGBB-DOMZBBRYSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862393409 1329482080 /nfs/dbraw/zinc/48/20/80/1329482080.db2.gz RHKDVNKXYSAGNP-SECBINFHSA-N 0 0 347.198 3.448 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000862717638 1329504865 /nfs/dbraw/zinc/50/48/65/1329504865.db2.gz PZUUBPMNKDNOGQ-UHFFFAOYSA-N 0 0 342.342 3.211 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862846948 1329514857 /nfs/dbraw/zinc/51/48/57/1329514857.db2.gz ULMQPFDUCBPGQE-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[C@H]1CC=CCC1 ZINC000862948746 1329519535 /nfs/dbraw/zinc/51/95/35/1329519535.db2.gz OMYOJMPVQBIIQP-ZDUSSCGKSA-N 0 0 347.371 3.298 10 5 EGBERN C/C=C/C[C@@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339541 1329548507 /nfs/dbraw/zinc/54/85/07/1329548507.db2.gz DAZFWUVYKCSDAR-YWVDXFKGSA-N 0 0 331.372 3.138 10 5 EGBERN CC1(C)C[C@@H](SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC000863354712 1329549717 /nfs/dbraw/zinc/54/97/17/1329549717.db2.gz FWTLQYXURKOGCO-SNVBAGLBSA-N 0 0 344.820 3.487 10 5 EGBERN Cc1ccc(N(CC2CC2)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000863600538 1329565545 /nfs/dbraw/zinc/56/55/45/1329565545.db2.gz PFEXABHOBKDHTC-UHFFFAOYSA-N 0 0 346.362 3.072 10 5 EGBERN Cc1c(C(=O)NC[C@@H]2CCCC23CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000863778476 1329580818 /nfs/dbraw/zinc/58/08/18/1329580818.db2.gz PZVKZEXRVHFDKQ-LBPRGKRZSA-N 0 0 347.371 3.430 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000863815085 1329583353 /nfs/dbraw/zinc/58/33/53/1329583353.db2.gz UOSZYZROEQBQMR-XQJDBVBESA-N 0 0 336.363 3.318 10 5 EGBERN O=C(c1cnn(CC2CCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000864101868 1329597793 /nfs/dbraw/zinc/59/77/93/1329597793.db2.gz SKBUPUGJWXHQTB-UHFFFAOYSA-N 0 0 340.383 3.184 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865002401 1329660420 /nfs/dbraw/zinc/66/04/20/1329660420.db2.gz XYRJWWRKQMVOKF-SECBINFHSA-N 0 0 341.205 3.062 10 5 EGBERN CC[C@@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865140157 1329672673 /nfs/dbraw/zinc/67/26/73/1329672673.db2.gz CHAUMWDENOSWIR-LLVKDONJSA-N 0 0 341.205 3.301 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SC[C@@H]3CCc4ncnn43)sc2c1 ZINC000865343045 1329687563 /nfs/dbraw/zinc/68/75/63/1329687563.db2.gz CRZDSQFXKVVXKD-VIFPVBQESA-N 0 0 333.398 3.076 10 5 EGBERN O=C1[C@H](Sc2nc3ccc([N+](=O)[O-])cc3s2)CCN1C1CCC1 ZINC000865343031 1329687619 /nfs/dbraw/zinc/68/76/19/1329687619.db2.gz CLAQUGITFNFIAS-GFCCVEGCSA-N 0 0 349.437 3.450 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865371932 1329689685 /nfs/dbraw/zinc/68/96/85/1329689685.db2.gz VTYZOUZJKWWQCF-OAHLLOKOSA-N 0 0 343.383 3.044 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NC1CCC(O)(c2ccccc2)CC1 ZINC000865678672 1329728632 /nfs/dbraw/zinc/72/86/32/1329728632.db2.gz NPQNXZIBDNZXNX-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000865907131 1329750969 /nfs/dbraw/zinc/75/09/69/1329750969.db2.gz CFJJMBCHRKZUQF-UWVGGRQHSA-N 0 0 344.696 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000865971592 1329755654 /nfs/dbraw/zinc/75/56/54/1329755654.db2.gz MWIMVUGIGWSCSG-HORACTTISA-N 0 0 349.239 3.391 10 5 EGBERN CCn1nc(C)c(CN(C)c2ccc([N+](=O)[O-])cc2C(C)=O)c1C ZINC000865993051 1329757350 /nfs/dbraw/zinc/75/73/50/1329757350.db2.gz RLPVEXOFXXOWPB-UHFFFAOYSA-N 0 0 330.388 3.267 10 5 EGBERN Cc1ccc(NCC[C@@H](O)C(F)F)c([N+](=O)[O-])c1Br ZINC000866038632 1330058033 /nfs/dbraw/zinc/05/80/33/1330058033.db2.gz WRRHGHRMWGQRTH-MRVPVSSYSA-N 0 0 339.136 3.094 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000866075748 1330062435 /nfs/dbraw/zinc/06/24/35/1330062435.db2.gz CBOAGTRHRWSMLD-IRXDYDNUSA-N 0 0 341.367 3.325 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CCC2)[C@H]2CCOC2)s1 ZINC000866140839 1330069801 /nfs/dbraw/zinc/06/98/01/1330069801.db2.gz GSSQCFKUSFXOHC-GXFFZTMASA-N 0 0 334.401 3.217 10 5 EGBERN O=C(NCCSCCC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000866142696 1330069935 /nfs/dbraw/zinc/06/99/35/1330069935.db2.gz VQSONLJYWWPLMG-UHFFFAOYSA-N 0 0 337.323 3.402 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000866200651 1330077662 /nfs/dbraw/zinc/07/76/62/1330077662.db2.gz JYJBAXJWAZQZPG-NXEZZACHSA-N 0 0 341.205 3.014 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2cccc(F)c2[N+](=O)[O-])no1 ZINC000866251293 1330085640 /nfs/dbraw/zinc/08/56/40/1330085640.db2.gz RGSFACMSKATZKC-YOGCLGLASA-N 0 0 332.335 3.340 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866375344 1330103576 /nfs/dbraw/zinc/10/35/76/1330103576.db2.gz VADYBIWXCJYVDO-VHDGCEQUSA-N 0 0 348.399 3.060 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403493 1330107387 /nfs/dbraw/zinc/10/73/87/1330107387.db2.gz QNYOCXBUQMWZAU-XJKSGUPXSA-N 0 0 346.456 3.151 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CC3(c4ccccc4)CC3)no2)n1 ZINC000867138334 1330177879 /nfs/dbraw/zinc/17/78/79/1330177879.db2.gz LYGVFBRUWVINRH-UHFFFAOYSA-N 0 0 339.355 3.136 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000867141287 1330178294 /nfs/dbraw/zinc/17/82/94/1330178294.db2.gz NEXLKMMRRDVWTB-UHFFFAOYSA-N 0 0 343.358 3.078 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccn(C(C)(C)C)c1=O ZINC000868430493 1330279868 /nfs/dbraw/zinc/27/98/68/1330279868.db2.gz QZEMRZAJHLPQMY-UHFFFAOYSA-N 0 0 343.383 3.381 10 5 EGBERN Cc1csc([C@H](C)CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000868496940 1330286341 /nfs/dbraw/zinc/28/63/41/1330286341.db2.gz OEEHCBNKHJQFCW-LLVKDONJSA-N 0 0 348.428 3.271 10 5 EGBERN Cc1cccc(CCCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000868598028 1330298308 /nfs/dbraw/zinc/29/83/08/1330298308.db2.gz BDWKILIVTHJNLC-UHFFFAOYSA-N 0 0 342.399 3.039 10 5 EGBERN C[C@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000868609106 1330299589 /nfs/dbraw/zinc/29/95/89/1330299589.db2.gz RRRDKAFOHFUVHE-BLLLJJGKSA-N 0 0 326.352 3.166 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000868617309 1330300533 /nfs/dbraw/zinc/30/05/33/1330300533.db2.gz BLLDLHLLQUKWDY-YVEFUNNKSA-N 0 0 341.367 3.225 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000869044901 1330401339 /nfs/dbraw/zinc/40/13/39/1330401339.db2.gz LSYQKPGXNCJIIL-AWEZNQCLSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000869054339 1330403750 /nfs/dbraw/zinc/40/37/50/1330403750.db2.gz JWIZMPLDESLBTF-LLVKDONJSA-N 0 0 327.331 3.090 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000869054987 1330404672 /nfs/dbraw/zinc/40/46/72/1330404672.db2.gz OLHPJWPTYPRMDT-UHFFFAOYSA-N 0 0 347.415 3.005 10 5 EGBERN C[C@@]1(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000869137846 1330422849 /nfs/dbraw/zinc/42/28/49/1330422849.db2.gz PSEDJJQCUKWNDJ-ZIAGYGMSSA-N 0 0 332.734 3.097 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCc2ccccc21 ZINC000869149679 1330425579 /nfs/dbraw/zinc/42/55/79/1330425579.db2.gz SEMSTWDDDVRVHM-CYBMUJFWSA-N 0 0 342.370 3.465 10 5 EGBERN Cc1ccc(CC2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)cc1 ZINC000869270933 1330450506 /nfs/dbraw/zinc/45/05/06/1330450506.db2.gz CFFHDMVDURLKMV-UHFFFAOYSA-N 0 0 342.370 3.286 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000869362696 1330473360 /nfs/dbraw/zinc/47/33/60/1330473360.db2.gz NFNPVIDWFKSREK-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@]23C[C@@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000869705697 1330549183 /nfs/dbraw/zinc/54/91/83/1330549183.db2.gz GTABJBKIWWSUQO-LXIYXOSZSA-N 0 0 346.383 3.354 10 5 EGBERN Cn1c(Cl)cnc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810214 1330568394 /nfs/dbraw/zinc/56/83/94/1330568394.db2.gz GCUVKOOKZWGSCV-UHFFFAOYSA-N 0 0 349.774 3.147 10 5 EGBERN Cc1ccccc1Cc1nnc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC001324240449 1387565451 /nfs/dbraw/zinc/56/54/51/1387565451.db2.gz KLMOVZMDCRJOIB-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN O=c1[nH]ccc(Nc2cnn(-c3ccccc3Cl)c2)c1[N+](=O)[O-] ZINC001185305175 1387675891 /nfs/dbraw/zinc/67/58/91/1387675891.db2.gz GHAGROOOYGUEKP-UHFFFAOYSA-N 0 0 331.719 3.278 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)Cc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC001185354797 1387691261 /nfs/dbraw/zinc/69/12/61/1387691261.db2.gz QLWCAIIUYZWSJO-CYBMUJFWSA-N 0 0 343.383 3.436 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@H]1CCCCO1 ZINC001185906372 1387825843 /nfs/dbraw/zinc/82/58/43/1387825843.db2.gz IIWHGSMOPOYXSD-LLVKDONJSA-N 0 0 342.779 3.406 10 5 EGBERN Cc1ccnc(C(=O)COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c1 ZINC001189668723 1367082141 /nfs/dbraw/zinc/08/21/41/1367082141.db2.gz ZBDKOUICRIXTKP-UHFFFAOYSA-N 0 0 344.220 3.116 10 5 EGBERN C[C@](O)(CNc1ncc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC001186034282 1387852515 /nfs/dbraw/zinc/85/25/15/1387852515.db2.gz MLPXCZDKJGOIJO-AWEZNQCLSA-N 0 0 325.727 3.102 10 5 EGBERN CC(C)(c1nnc(-c2ccc(Cl)cc2)o1)n1cc([N+](=O)[O-])cn1 ZINC001324998308 1387873717 /nfs/dbraw/zinc/87/37/17/1387873717.db2.gz BFVCVYTUOBXJSZ-UHFFFAOYSA-N 0 0 333.735 3.278 10 5 EGBERN CN(Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001194640443 1368301846 /nfs/dbraw/zinc/30/18/46/1368301846.db2.gz ATSBTIWHGXAMDA-UHFFFAOYSA-N 0 0 336.189 3.384 10 5 EGBERN O=C(CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)Nc1ncc[nH]1 ZINC001186670133 1387996785 /nfs/dbraw/zinc/99/67/85/1387996785.db2.gz WGMKLWLMGLIBFH-UHFFFAOYSA-N 0 0 344.158 3.065 10 5 EGBERN C[C@H](Cc1cn(C)c2ccc(F)cc12)Nc1nn(C)cc1[N+](=O)[O-] ZINC001186689406 1387997978 /nfs/dbraw/zinc/99/79/78/1387997978.db2.gz UNEFFACWHOQZQY-SNVBAGLBSA-N 0 0 331.351 3.002 10 5 EGBERN C[C@@]1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])OCCc2ccccc21 ZINC001187454448 1388111085 /nfs/dbraw/zinc/11/10/85/1388111085.db2.gz LZWJYABOLTVCFC-KRWDZBQOSA-N 0 0 343.339 3.403 10 5 EGBERN COC(=O)c1ccc(OC(=O)CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001117546114 1371051791 /nfs/dbraw/zinc/05/17/91/1371051791.db2.gz MFGFXAXAYNMAFL-UHFFFAOYSA-N 0 0 347.245 3.019 10 5 EGBERN CC(C)n1cc(CSCCCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC001118983982 1371259719 /nfs/dbraw/zinc/25/97/19/1371259719.db2.gz VPAYUWVYTYWPFJ-UHFFFAOYSA-N 0 0 336.417 3.470 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2c3ccccc3OC[C@@H]2F)nc2sccn21 ZINC001187586444 1388127736 /nfs/dbraw/zinc/12/77/36/1388127736.db2.gz NMOVDXBDPRXIPQ-GXSJLCMTSA-N 0 0 334.332 3.188 10 5 EGBERN CCC(=O)c1ccc(NC[C@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001187625479 1388132790 /nfs/dbraw/zinc/13/27/90/1388132790.db2.gz XNUPMBSGRBPLPD-OAHLLOKOSA-N 0 0 346.358 3.342 10 5 EGBERN COc1cc(CN(C)c2ccc3cnccc3c2[N+](=O)[O-])sn1 ZINC001187733044 1388152658 /nfs/dbraw/zinc/15/26/58/1388152658.db2.gz OXXDDSCTNFFXGE-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001121009339 1371834348 /nfs/dbraw/zinc/83/43/48/1371834348.db2.gz RPWZOJCTHBTFDY-TZMCWYRMSA-N 0 0 345.321 3.404 10 5 EGBERN CC1(C)C2CCC1(C(=O)OC1CC(n3cc([N+](=O)[O-])cn3)C1)CC2 ZINC001123183873 1372393994 /nfs/dbraw/zinc/39/39/94/1372393994.db2.gz NANWBDMPHPYJCZ-UHFFFAOYSA-N 0 0 333.388 3.254 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)/C(C)=C\c1ccc(Br)o1 ZINC001123256860 1372408495 /nfs/dbraw/zinc/40/84/95/1372408495.db2.gz QOACEVKXPGEBOR-XZLDQRQTSA-N 0 0 332.150 3.044 10 5 EGBERN COc1ccc(NC(=O)N(C)C[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])c1 ZINC001123332531 1372429812 /nfs/dbraw/zinc/42/98/12/1372429812.db2.gz JPGYSOMYIAIZNO-NVXWUHKLSA-N 0 0 349.387 3.026 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001124373066 1372696114 /nfs/dbraw/zinc/69/61/14/1372696114.db2.gz IUMGTFCXGYXPFX-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Oc1ccc2c(c1)OCO2 ZINC001124378200 1372697135 /nfs/dbraw/zinc/69/71/35/1372697135.db2.gz WNHANBOBXSQVRN-UHFFFAOYSA-N 0 0 329.308 3.468 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001124406485 1372699217 /nfs/dbraw/zinc/69/92/17/1372699217.db2.gz RQOISUFSSFCEGL-LSDHHAIUSA-N 0 0 327.296 3.245 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124715253 1372724579 /nfs/dbraw/zinc/72/45/79/1372724579.db2.gz BDGKLOJGVZDIIB-UHFFFAOYSA-N 0 0 341.323 3.323 10 5 EGBERN C[C@@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC001125251421 1372763738 /nfs/dbraw/zinc/76/37/38/1372763738.db2.gz ISCWRBSKBHUAHI-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN C[C@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC001125251422 1372763793 /nfs/dbraw/zinc/76/37/93/1372763793.db2.gz ISCWRBSKBHUAHI-NSHDSACASA-N 0 0 337.335 3.340 10 5 EGBERN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001125318881 1372769645 /nfs/dbraw/zinc/76/96/45/1372769645.db2.gz YJZBETPOAWNKLJ-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN CCCOc1ccc(COC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001125396020 1372781162 /nfs/dbraw/zinc/78/11/62/1372781162.db2.gz OTHHGAUEVDCRPT-UHFFFAOYSA-N 0 0 330.340 3.444 10 5 EGBERN COc1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)ccc2n1 ZINC001125774147 1372853883 /nfs/dbraw/zinc/85/38/83/1372853883.db2.gz PRBWHIHFXKTCHG-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN COCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC001126132904 1372941080 /nfs/dbraw/zinc/94/10/80/1372941080.db2.gz OJTKFAACNJOPHI-UHFFFAOYSA-N 0 0 339.398 3.172 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001126148701 1372943582 /nfs/dbraw/zinc/94/35/82/1372943582.db2.gz VHPYQHHAHYNDIE-JKSUJKDBSA-N 0 0 349.350 3.122 10 5 EGBERN Cc1ccc(-c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)nn1 ZINC001126246785 1372952543 /nfs/dbraw/zinc/95/25/43/1372952543.db2.gz HYUVXFCOUKIVKG-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)C1(c2nccc3ccccc32)CC1 ZINC001126249419 1372952728 /nfs/dbraw/zinc/95/27/28/1372952728.db2.gz KTCASLPUDDFFMA-UHFFFAOYSA-N 0 0 347.374 3.491 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NC1(C(F)(F)F)CCC1 ZINC001126509367 1372970775 /nfs/dbraw/zinc/97/07/75/1372970775.db2.gz FXRDICBVQWLQKY-UHFFFAOYSA-N 0 0 334.319 3.288 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccncc2C)cc1[N+](=O)[O-] ZINC001126612438 1372983126 /nfs/dbraw/zinc/98/31/26/1372983126.db2.gz VILNMEJZUMTTRF-PSKZRQQASA-N 0 0 325.368 3.497 10 5 EGBERN Cc1ncccc1/C=C/C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001126842704 1373039939 /nfs/dbraw/zinc/03/99/39/1373039939.db2.gz KQYUGITWTYYQKV-IZZDOVSWSA-N 0 0 325.368 3.363 10 5 EGBERN CC(C)CC1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC001127135893 1373095813 /nfs/dbraw/zinc/09/58/13/1373095813.db2.gz VGKSGNAFURIIME-UHFFFAOYSA-N 0 0 348.399 3.312 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C)cn2ccnc12)c1cccc([N+](=O)[O-])c1 ZINC001127283025 1373112045 /nfs/dbraw/zinc/11/20/45/1373112045.db2.gz YJQZKHUWXBKDOE-MRXNPFEDSA-N 0 0 338.367 3.432 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCCC2=O ZINC001127457944 1373128836 /nfs/dbraw/zinc/12/88/36/1373128836.db2.gz HXZHROWMRHHNOJ-UHFFFAOYSA-N 0 0 344.298 3.260 10 5 EGBERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001127522802 1373134943 /nfs/dbraw/zinc/13/49/43/1373134943.db2.gz PWDZPQYHGHLXGZ-QCZZGDTMSA-N 0 0 338.429 3.106 10 5 EGBERN Cc1cnc2cc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)ccn12 ZINC001127748285 1373173003 /nfs/dbraw/zinc/17/30/03/1373173003.db2.gz LWPCTFPHJXTULV-UHFFFAOYSA-N 0 0 336.351 3.144 10 5 EGBERN Cc1c(CNC(=O)c2ccc(-c3ccccn3)nc2)cccc1[N+](=O)[O-] ZINC001128005866 1373207788 /nfs/dbraw/zinc/20/77/88/1373207788.db2.gz YMDBCPHXXSUUSR-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1onc(OC(F)F)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001128098200 1373218263 /nfs/dbraw/zinc/21/82/63/1373218263.db2.gz GWKAKFJKYSPACJ-UHFFFAOYSA-N 0 0 327.243 3.053 10 5 EGBERN Cc1nc(-c2ccc(C(=O)Nc3c([N+](=O)[O-])cnn3C)s2)cs1 ZINC001128321170 1373251706 /nfs/dbraw/zinc/25/17/06/1373251706.db2.gz LNEZDXITLUPGMQ-UHFFFAOYSA-N 0 0 349.397 3.074 10 5 EGBERN O=C(Nc1ccc(OC(F)F)nc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001128431058 1373265963 /nfs/dbraw/zinc/26/59/63/1373265963.db2.gz XPXNNWKDLMJTNE-OLZOCXBDSA-N 0 0 349.293 3.333 10 5 EGBERN CN(C(=O)CCc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC001128454514 1373270533 /nfs/dbraw/zinc/27/05/33/1373270533.db2.gz PIPFZYROZJKUSI-UHFFFAOYSA-N 0 0 337.738 3.378 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2cnccc12 ZINC001128510903 1373279567 /nfs/dbraw/zinc/27/95/67/1373279567.db2.gz PJBHRZIHNWVPGC-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN CCc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1F ZINC001128754141 1373308576 /nfs/dbraw/zinc/30/85/76/1373308576.db2.gz TYGDBPJBVABPCK-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC001128847415 1373316102 /nfs/dbraw/zinc/31/61/02/1373316102.db2.gz MBKDYFOXWPQJFF-UHFFFAOYSA-N 0 0 347.758 3.388 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC001128906624 1373323032 /nfs/dbraw/zinc/32/30/32/1373323032.db2.gz JVRHURIJPXDZEV-INHTXZAOSA-N 0 0 338.363 3.289 10 5 EGBERN Cc1ccc(COC(=O)c2ccc(NC3CC3)nc2)cc1[N+](=O)[O-] ZINC001129136294 1373350782 /nfs/dbraw/zinc/35/07/82/1373350782.db2.gz XAOPAJRFHUMQAN-UHFFFAOYSA-N 0 0 327.340 3.230 10 5 EGBERN Cc1ccc(COC(=O)c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC001129135760 1373350971 /nfs/dbraw/zinc/35/09/71/1373350971.db2.gz RRAWHKYHRLXDMW-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001129612239 1373402410 /nfs/dbraw/zinc/40/24/10/1373402410.db2.gz HFFZPKICRKDCEW-FZKQIMNGSA-N 0 0 342.399 3.479 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001129722120 1373416662 /nfs/dbraw/zinc/41/66/62/1373416662.db2.gz UKAWOBWYZNDYLP-DZGCQCFKSA-N 0 0 331.416 3.217 10 5 EGBERN COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001129764330 1373421751 /nfs/dbraw/zinc/42/17/51/1373421751.db2.gz LVZKLSOVIMNLRO-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN CNC(=O)[C@H]1CCN(C(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001129905135 1373434060 /nfs/dbraw/zinc/43/40/60/1373434060.db2.gz JHIRCDFRGPBSAG-INIZCTEOSA-N 0 0 332.403 3.201 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1COCc2ccccc21 ZINC001130042552 1373447880 /nfs/dbraw/zinc/44/78/80/1373447880.db2.gz DLRHXESIWRJXSV-INIZCTEOSA-N 0 0 346.770 3.178 10 5 EGBERN Cc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])nn1CC(F)(F)F ZINC001130082935 1373453379 /nfs/dbraw/zinc/45/33/79/1373453379.db2.gz WZPCWPFHUZTNJI-UHFFFAOYSA-N 0 0 346.240 3.053 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](C2CCCC2)C1 ZINC001130093708 1373454703 /nfs/dbraw/zinc/45/47/03/1373454703.db2.gz MPCPUDQITOQRNA-OAHLLOKOSA-N 0 0 331.416 3.436 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Oc1cccc2c1OCCC2 ZINC001130138555 1373459962 /nfs/dbraw/zinc/45/99/62/1373459962.db2.gz YDXBBSOIZSYLIB-UHFFFAOYSA-N 0 0 342.351 3.327 10 5 EGBERN O=C(NCc1cccc(OC2CC2)c1F)c1ccccc1[N+](=O)[O-] ZINC001130696269 1373581729 /nfs/dbraw/zinc/58/17/29/1373581729.db2.gz OGUXRRZCPZDOSY-UHFFFAOYSA-N 0 0 330.315 3.205 10 5 EGBERN Cc1nc(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cs1 ZINC001130756302 1373588314 /nfs/dbraw/zinc/58/83/14/1373588314.db2.gz ZRYSPAXXSMJKPH-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC001130759005 1373588515 /nfs/dbraw/zinc/58/85/15/1373588515.db2.gz WNIAIVOSRSQBCV-HNNXBMFYSA-N 0 0 335.319 3.258 10 5 EGBERN O=C(CCCc1ccccn1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761694 1373588929 /nfs/dbraw/zinc/58/89/29/1373588929.db2.gz XSWOWVZVVCOZKH-UHFFFAOYSA-N 0 0 336.351 3.499 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)Nc1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001130761332 1373589404 /nfs/dbraw/zinc/58/94/04/1373589404.db2.gz PLBPSRYPNDKWOE-MRXNPFEDSA-N 0 0 349.346 3.394 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001130837346 1373597843 /nfs/dbraw/zinc/59/78/43/1373597843.db2.gz NNHLACORCCZHKP-GDBMZVCRSA-N 0 0 332.400 3.468 10 5 EGBERN Cn1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c(C2CC2)n1 ZINC001130957140 1373615811 /nfs/dbraw/zinc/61/58/11/1373615811.db2.gz NRVDQMUIQCOLFJ-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1nccc2cccnc21 ZINC001130959685 1373616526 /nfs/dbraw/zinc/61/65/26/1373616526.db2.gz JVGKGAVOCSBVIM-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CC(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001131160833 1373655656 /nfs/dbraw/zinc/65/56/56/1373655656.db2.gz NSNWTQOCIZKRCT-UHFFFAOYSA-N 0 0 333.731 3.459 10 5 EGBERN CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001131202760 1373661441 /nfs/dbraw/zinc/66/14/41/1373661441.db2.gz NUIGZBVHECIKGK-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN Cc1ncoc1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001131732754 1373776585 /nfs/dbraw/zinc/77/65/85/1373776585.db2.gz LCOQWWAGNUMWRG-NSHDSACASA-N 0 0 330.218 3.352 10 5 EGBERN Cc1c(NC(=O)NC2(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001326926881 1388352663 /nfs/dbraw/zinc/35/26/63/1388352663.db2.gz GIQDDXJRDCQGCM-UHFFFAOYSA-N 0 0 328.166 3.340 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccns1 ZINC001132080754 1375136183 /nfs/dbraw/zinc/13/61/83/1375136183.db2.gz JSMAMLVVTHNBKS-SSDOTTSWSA-N 0 0 343.311 3.144 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccns1 ZINC001132080755 1375136282 /nfs/dbraw/zinc/13/62/82/1375136282.db2.gz JSMAMLVVTHNBKS-ZETCQYMHSA-N 0 0 343.311 3.144 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001132109072 1375152534 /nfs/dbraw/zinc/15/25/34/1375152534.db2.gz HDWMQHOJOUTWTP-LSDHHAIUSA-N 0 0 340.335 3.124 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3cnc(Cl)c(F)c3)n2)c1 ZINC001188725307 1388368437 /nfs/dbraw/zinc/36/84/37/1388368437.db2.gz HKEHLXWPSRYXNP-UHFFFAOYSA-N 0 0 333.710 3.089 10 5 EGBERN Cc1ccc(CNC(=O)/C=C/c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC001132418532 1375366741 /nfs/dbraw/zinc/36/67/41/1375366741.db2.gz KANLERRDBZHVDK-SNAWJCMRSA-N 0 0 331.759 3.281 10 5 EGBERN Cc1ccc(CNC(=O)Cc2nsc3ccccc32)cc1[N+](=O)[O-] ZINC001132421581 1375371056 /nfs/dbraw/zinc/37/10/56/1375371056.db2.gz JGHGZVIONXXIPS-UHFFFAOYSA-N 0 0 341.392 3.372 10 5 EGBERN COc1cc(Cl)cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001132421992 1375371538 /nfs/dbraw/zinc/37/15/38/1375371538.db2.gz QUELVPGNXOBYRK-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(Nc1cccc2nccnc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001132558811 1375466826 /nfs/dbraw/zinc/46/68/26/1375466826.db2.gz VUKJMSINGOQAQZ-UONOGXRCSA-N 0 0 334.335 3.280 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001132710892 1375526040 /nfs/dbraw/zinc/52/60/40/1375526040.db2.gz LIHDMWGALVIJMF-GOEBONIOSA-N 0 0 346.427 3.437 10 5 EGBERN COc1c(C(=O)N[C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001132722610 1375529250 /nfs/dbraw/zinc/52/92/50/1375529250.db2.gz WEMBAXITRSNVGU-JTQLQIEISA-N 0 0 341.323 3.236 10 5 EGBERN C[C@H](OC(=O)Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001132752923 1375548407 /nfs/dbraw/zinc/54/84/07/1375548407.db2.gz JFMJBMBEZYPQEI-LBPRGKRZSA-N 0 0 325.324 3.089 10 5 EGBERN O=C(N[C@@H](CF)c1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001132770562 1375554925 /nfs/dbraw/zinc/55/49/25/1375554925.db2.gz WPARWRNOTQAYCX-ZDUSSCGKSA-N 0 0 342.248 3.453 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)n1 ZINC001132774555 1375555857 /nfs/dbraw/zinc/55/58/57/1375555857.db2.gz ALDDZAQWEQOREZ-ZBFHGGJFSA-N 0 0 329.331 3.054 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc2[nH]ccc21 ZINC001132926441 1375648474 /nfs/dbraw/zinc/64/84/74/1375648474.db2.gz ZRZBWJMAFILBAD-UHFFFAOYSA-N 0 0 339.351 3.161 10 5 EGBERN Cc1cc(C(F)F)n(CC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001132974833 1375688895 /nfs/dbraw/zinc/68/88/95/1375688895.db2.gz VCKKGBIMQVFPIG-SNVBAGLBSA-N 0 0 339.298 3.342 10 5 EGBERN C[C@H](NC(=O)c1ccc(OC(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC001133111313 1375781785 /nfs/dbraw/zinc/78/17/85/1375781785.db2.gz QPLBVQMHTMVQFU-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001133214904 1375846681 /nfs/dbraw/zinc/84/66/81/1375846681.db2.gz PBMNCTXURRGXRU-NSHDSACASA-N 0 0 325.384 3.356 10 5 EGBERN C=C/C=C\CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC001133267504 1375882630 /nfs/dbraw/zinc/88/26/30/1375882630.db2.gz HWEVXNMFJRBPSU-PLNGDYQASA-N 0 0 340.383 3.010 10 5 EGBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001133344043 1375933760 /nfs/dbraw/zinc/93/37/60/1375933760.db2.gz DAPLIUJCMVUIPH-SECBINFHSA-N 0 0 333.275 3.133 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1F ZINC001133483761 1376035177 /nfs/dbraw/zinc/03/51/77/1376035177.db2.gz BLZOSTBYFSYARM-JTQLQIEISA-N 0 0 347.302 3.442 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC001133555313 1376083629 /nfs/dbraw/zinc/08/36/29/1376083629.db2.gz WBLYMEMQLDDAAJ-BLLLJJGKSA-N 0 0 333.344 3.122 10 5 EGBERN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1csc([N+](=O)[O-])c1 ZINC001133634617 1376130498 /nfs/dbraw/zinc/13/04/98/1376130498.db2.gz KRLAOMRXDCODRN-ZDUSSCGKSA-N 0 0 345.380 3.250 10 5 EGBERN Nc1c(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001133818517 1376216885 /nfs/dbraw/zinc/21/68/85/1376216885.db2.gz KUBXLDKCUWNNOC-WHOFXGATSA-N 0 0 339.395 3.496 10 5 EGBERN CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001133851669 1376233621 /nfs/dbraw/zinc/23/36/21/1376233621.db2.gz KOLOTPBNNKYJFS-HNNXBMFYSA-N 0 0 338.367 3.363 10 5 EGBERN C[C@@H]1COC[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001133934432 1376271192 /nfs/dbraw/zinc/27/11/92/1376271192.db2.gz KUSKOOSPLGUNSJ-WBMJQRKESA-N 0 0 341.367 3.103 10 5 EGBERN NC(=O)c1cc(NC(=O)CCC2CCCCCC2)ccc1[N+](=O)[O-] ZINC001134357863 1376493065 /nfs/dbraw/zinc/49/30/65/1376493065.db2.gz BUPVUEUTGWIETB-UHFFFAOYSA-N 0 0 333.388 3.383 10 5 EGBERN O=C(NC[C@H]1CCCC2(CCC2)O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001134382684 1376503102 /nfs/dbraw/zinc/50/31/02/1376503102.db2.gz UPGNVFARDARGLB-GFCCVEGCSA-N 0 0 338.791 3.470 10 5 EGBERN Cc1ccnc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c1 ZINC001189061674 1388449882 /nfs/dbraw/zinc/44/98/82/1388449882.db2.gz RHPIPBOAKXRSMW-UHFFFAOYSA-N 0 0 330.731 3.184 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CCC[C@]4(CCOC4)O3)c2)c1 ZINC001189060556 1388449926 /nfs/dbraw/zinc/44/99/26/1388449926.db2.gz ARAJKADEYGXMIW-QZTJIDSGSA-N 0 0 343.383 3.187 10 5 EGBERN Cc1ccc(C(=O)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001134495772 1376569038 /nfs/dbraw/zinc/56/90/38/1376569038.db2.gz QUQPTIOQTBZBNY-CYBMUJFWSA-N 0 0 326.352 3.006 10 5 EGBERN CC1(C)CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)O1 ZINC001134581102 1376607577 /nfs/dbraw/zinc/60/75/77/1376607577.db2.gz HKGLBCNOICDCDA-AWEZNQCLSA-N 0 0 347.415 3.247 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001134785234 1376719611 /nfs/dbraw/zinc/71/96/11/1376719611.db2.gz NQPXJORRLALJLM-ZEGGKSINSA-N 0 0 339.189 3.276 10 5 EGBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001134785691 1376720209 /nfs/dbraw/zinc/72/02/09/1376720209.db2.gz YSKLMZDWQBCTRI-HLUHBDAQSA-N 0 0 339.189 3.276 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001135968097 1377280324 /nfs/dbraw/zinc/28/03/24/1377280324.db2.gz IWGPBQINGPSSOB-UHFFFAOYSA-N 0 0 346.730 3.011 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC001136140866 1377357888 /nfs/dbraw/zinc/35/78/88/1377357888.db2.gz KDPUMQLNGPYEJF-UHFFFAOYSA-N 0 0 340.744 3.349 10 5 EGBERN C[C@H](NC(=O)c1oc2ccccc2c1CO)c1cccc([N+](=O)[O-])c1 ZINC001136308396 1377375517 /nfs/dbraw/zinc/37/55/17/1377375517.db2.gz FCRWDAMZNOPEOD-NSHDSACASA-N 0 0 340.335 3.324 10 5 EGBERN Cc1ccsc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001136442612 1377393409 /nfs/dbraw/zinc/39/34/09/1377393409.db2.gz XOKJIVVDUKBICF-UHFFFAOYSA-N 0 0 343.767 3.269 10 5 EGBERN O=C(NCCCc1ccc(Cl)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136537180 1377403502 /nfs/dbraw/zinc/40/35/02/1377403502.db2.gz YHXWKHPWNPTBOL-INIZCTEOSA-N 0 0 348.786 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)c3ccccc3C2)c1C ZINC001136595118 1377407817 /nfs/dbraw/zinc/40/78/17/1377407817.db2.gz RMQFOQKJFBKRNT-UHFFFAOYSA-N 0 0 339.395 3.304 10 5 EGBERN Cc1ccncc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001136680171 1377414804 /nfs/dbraw/zinc/41/48/04/1377414804.db2.gz VOAQORRCZXPMFG-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1cccn2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC001137280258 1377509402 /nfs/dbraw/zinc/50/94/02/1377509402.db2.gz NFUCDOKXNHXZNZ-UHFFFAOYSA-N 0 0 335.363 3.354 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2cccnc2)CC1 ZINC001137574136 1377567327 /nfs/dbraw/zinc/56/73/27/1377567327.db2.gz UXCGKCMMMIQWER-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001137630403 1377576087 /nfs/dbraw/zinc/57/60/87/1377576087.db2.gz XOMGBMYYQBHIHC-GJZGRUSLSA-N 0 0 349.350 3.122 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001137726279 1377606380 /nfs/dbraw/zinc/60/63/80/1377606380.db2.gz OYWSAHGUFHTPFN-UHFFFAOYSA-N 0 0 342.399 3.190 10 5 EGBERN O=C(C[C@@H]1CCCC[C@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137957278 1377653526 /nfs/dbraw/zinc/65/35/26/1377653526.db2.gz SMPUGIPXVHWMJV-WMLDXEAASA-N 0 0 332.400 3.027 10 5 EGBERN COc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)ccc1O ZINC001139246362 1377857748 /nfs/dbraw/zinc/85/77/48/1377857748.db2.gz ZCBGSIXUVSTPMD-UHFFFAOYSA-N 0 0 340.694 3.354 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCCc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC001141585643 1378347332 /nfs/dbraw/zinc/34/73/32/1378347332.db2.gz ZHRSQNVBONLJLZ-AWEZNQCLSA-N 0 0 329.331 3.124 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H]1C(F)(F)F ZINC001141679259 1378361296 /nfs/dbraw/zinc/36/12/96/1378361296.db2.gz NDTJGCMACWYZSD-HNNXBMFYSA-N 0 0 346.308 3.458 10 5 EGBERN Nc1ccc(NC(=O)c2ccc3c(c2)CCCCC3=O)cc1[N+](=O)[O-] ZINC001141767373 1378372851 /nfs/dbraw/zinc/37/28/51/1378372851.db2.gz HUOWVPLUZWAGLI-UHFFFAOYSA-N 0 0 339.351 3.338 10 5 EGBERN Nc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1[N+](=O)[O-] ZINC001141767817 1378372922 /nfs/dbraw/zinc/37/29/22/1378372922.db2.gz RGKLMLMMZSTXJV-XFBWCDHKSA-N 0 0 343.770 3.355 10 5 EGBERN Cc1cnccc1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001142259334 1378425402 /nfs/dbraw/zinc/42/54/02/1378425402.db2.gz YESJUKYITIGIPK-UHFFFAOYSA-N 0 0 327.384 3.278 10 5 EGBERN O=C(Cc1ccc(Cl)s1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143384857 1378590334 /nfs/dbraw/zinc/59/03/34/1378590334.db2.gz XYADBEPCLDKXHN-UHFFFAOYSA-N 0 0 346.742 3.447 10 5 EGBERN O=C(Nc1cc(C(F)F)ccc1F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001144940566 1378782253 /nfs/dbraw/zinc/78/22/53/1378782253.db2.gz YICLKMDPHUONHF-UHFFFAOYSA-N 0 0 327.218 3.024 10 5 EGBERN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001148387639 1379162602 /nfs/dbraw/zinc/16/26/02/1379162602.db2.gz GHEUWRJWVNXNAT-NEPJUHHUSA-N 0 0 346.412 3.298 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1)CC(F)F ZINC001148414792 1379168595 /nfs/dbraw/zinc/16/85/95/1379168595.db2.gz LRONPBBWBJGNRD-UHFFFAOYSA-N 0 0 335.310 3.085 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148565861 1379212616 /nfs/dbraw/zinc/21/26/16/1379212616.db2.gz BFGMVIKPHJABPV-UHFFFAOYSA-N 0 0 347.714 3.312 10 5 EGBERN CO[C@H](COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001327968584 1388634928 /nfs/dbraw/zinc/63/49/28/1388634928.db2.gz WOYTWMNBCKSLDH-MEBBXXQBSA-N 0 0 325.336 3.196 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400312 1379927380 /nfs/dbraw/zinc/92/73/80/1379927380.db2.gz FTHPWWJBLUZTCG-RYUDHWBXSA-N 0 0 334.420 3.169 10 5 EGBERN COc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC001153000102 1380005365 /nfs/dbraw/zinc/00/53/65/1380005365.db2.gz OGWMQHOLXSLFAD-UHFFFAOYSA-N 0 0 346.339 3.349 10 5 EGBERN O=C(C[C@H]1CCCC[C@@H]1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153132668 1380027089 /nfs/dbraw/zinc/02/70/89/1380027089.db2.gz SMPUGIPXVHWMJV-PBHICJAKSA-N 0 0 332.400 3.027 10 5 EGBERN O=C(Nc1ccc(O)cc1O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001153765584 1380125519 /nfs/dbraw/zinc/12/55/19/1380125519.db2.gz MPYWLLVVBWTZJV-UHFFFAOYSA-N 0 0 342.229 3.277 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCC[C@@H]1CCCCO1 ZINC001153816948 1380135403 /nfs/dbraw/zinc/13/54/03/1380135403.db2.gz VIMSCCDGIDERAB-ZDUSSCGKSA-N 0 0 340.807 3.256 10 5 EGBERN O=C(c1ccc2cnccc2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154335810 1380258165 /nfs/dbraw/zinc/25/81/65/1380258165.db2.gz OAQSRLBNFLKVPE-UHFFFAOYSA-N 0 0 349.346 3.046 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H]1c1ccccc1 ZINC001154728067 1380341234 /nfs/dbraw/zinc/34/12/34/1380341234.db2.gz QETAUURJYMPBQS-SJCJKPOMSA-N 0 0 325.368 3.400 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001155043679 1380397744 /nfs/dbraw/zinc/39/77/44/1380397744.db2.gz QFBGPDFBZPQHKQ-UHFFFAOYSA-N 0 0 339.233 3.070 10 5 EGBERN C[C@H]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155458692 1380456166 /nfs/dbraw/zinc/45/61/66/1380456166.db2.gz RBGCTFYJRRPWPM-WCQYABFASA-N 0 0 328.372 3.151 10 5 EGBERN COc1ccc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001157653519 1380990311 /nfs/dbraw/zinc/99/03/11/1380990311.db2.gz OQAOVNNCMADWGC-GJZGRUSLSA-N 0 0 330.384 3.254 10 5 EGBERN C[C@H](CC1CCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001287415307 1381199761 /nfs/dbraw/zinc/19/97/61/1381199761.db2.gz YONQQILBIITFSY-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1ccncc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001158982400 1381496267 /nfs/dbraw/zinc/49/62/67/1381496267.db2.gz ITTBPQOCUJXPQN-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1ccc(C(=O)Nc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC001288166289 1381613473 /nfs/dbraw/zinc/61/34/73/1381613473.db2.gz UVWWIHUCVZJILS-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN COc1c(C(=O)Nc2cccc3c2OCCCO3)cccc1[N+](=O)[O-] ZINC001288165526 1381614559 /nfs/dbraw/zinc/61/45/59/1381614559.db2.gz IRGKCOROAPGETG-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN Cc1cc2nc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)sc2cc1F ZINC001159152497 1381673503 /nfs/dbraw/zinc/67/35/03/1381673503.db2.gz ZUMXSCOEWZOIRR-UHFFFAOYSA-N 0 0 346.343 3.487 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001288215721 1381730908 /nfs/dbraw/zinc/73/09/08/1381730908.db2.gz GPARLYYLGQTATC-LSDHHAIUSA-N 0 0 341.367 3.357 10 5 EGBERN COC(=O)c1ccc(CC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001288220374 1381734306 /nfs/dbraw/zinc/73/43/06/1381734306.db2.gz XJGADOILZLWABW-LBPRGKRZSA-N 0 0 343.335 3.228 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nnc(CCOc3ccccc3)o2)c1 ZINC001328415288 1388741777 /nfs/dbraw/zinc/74/17/77/1388741777.db2.gz PKGPRXONSXEBQT-UHFFFAOYSA-N 0 0 325.324 3.190 10 5 EGBERN CCC[C@@H]1C[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288347674 1381789815 /nfs/dbraw/zinc/78/98/15/1381789815.db2.gz DHBMCBHITZUWSU-BXKDBHETSA-N 0 0 341.205 3.410 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001288749093 1381924051 /nfs/dbraw/zinc/92/40/51/1381924051.db2.gz SBEGTQBAYUWECQ-LLVKDONJSA-N 0 0 331.347 3.291 10 5 EGBERN Cc1c(CC(=O)N=[S@@]2(=O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001289030244 1381973954 /nfs/dbraw/zinc/97/39/54/1381973954.db2.gz VYVJGTKBOKTFFR-XMMPIXPASA-N 0 0 344.392 3.056 10 5 EGBERN Cc1c(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001289028002 1381973991 /nfs/dbraw/zinc/97/39/91/1381973991.db2.gz DBLKBJFVLVJKAV-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N=[S@@]1(=O)CCc2ccccc21 ZINC001289029776 1381974416 /nfs/dbraw/zinc/97/44/16/1381974416.db2.gz POAAVPNYMROMRR-VWTHGPEQSA-N 0 0 342.376 3.218 10 5 EGBERN Cc1c(C(=O)N=[S@](C)(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001289028001 1381974426 /nfs/dbraw/zinc/97/44/26/1381974426.db2.gz DBLKBJFVLVJKAV-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN C[S@@](=O)(=NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289708271 1382008945 /nfs/dbraw/zinc/00/89/45/1382008945.db2.gz TYZWXARCWJMJHE-DDVUFSRBSA-N 0 0 348.355 3.431 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001289839395 1382012344 /nfs/dbraw/zinc/01/23/44/1382012344.db2.gz HEHSXAHKBDZJDJ-NWDGAFQWSA-N 0 0 342.351 3.276 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1cccc(C)c1 ZINC001160261723 1382053089 /nfs/dbraw/zinc/05/30/89/1382053089.db2.gz LOQIPGXGGWQYMS-UHFFFAOYSA-N 0 0 339.355 3.193 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001160502499 1382124966 /nfs/dbraw/zinc/12/49/66/1382124966.db2.gz IZBCKASXVGMDAR-VIFPVBQESA-N 0 0 328.372 3.312 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc2c(c1)CCO2 ZINC001292504906 1382201335 /nfs/dbraw/zinc/20/13/35/1382201335.db2.gz MLMZNBMDDHREMS-UHFFFAOYSA-N 0 0 346.770 3.042 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCNc2ccccc2)c1F ZINC001293929042 1382395286 /nfs/dbraw/zinc/39/52/86/1382395286.db2.gz VCBBIONVIBZMLO-UHFFFAOYSA-N 0 0 335.310 3.023 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001161458711 1382416063 /nfs/dbraw/zinc/41/60/63/1382416063.db2.gz PHKKLAJVHYCVBE-SECBINFHSA-N 0 0 337.738 3.202 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)c(F)c1 ZINC001295155260 1382557740 /nfs/dbraw/zinc/55/77/40/1382557740.db2.gz YSMYSSAWDVMNMC-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001295198328 1382568180 /nfs/dbraw/zinc/56/81/80/1382568180.db2.gz MWXOPEPGTUSMPS-UHFFFAOYSA-N 0 0 349.749 3.168 10 5 EGBERN Cc1cc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC001162004127 1382596742 /nfs/dbraw/zinc/59/67/42/1382596742.db2.gz DTPMBCFMBHSXOT-UHFFFAOYSA-N 0 0 346.221 3.356 10 5 EGBERN O=C(Nc1cccc2ccc(O)cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001295343199 1382611265 /nfs/dbraw/zinc/61/12/65/1382611265.db2.gz DRWYDPFZMHISTK-KRWDZBQOSA-N 0 0 338.319 3.126 10 5 EGBERN Cc1cc(NCCNC(=O)c2ccc(C)c(F)c2)c([N+](=O)[O-])s1 ZINC001162090789 1382626102 /nfs/dbraw/zinc/62/61/02/1382626102.db2.gz RGSSFYNYINOKOV-UHFFFAOYSA-N 0 0 337.376 3.254 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCOc1ccc(F)cc1)CCCC2 ZINC001162126417 1382633562 /nfs/dbraw/zinc/63/35/62/1382633562.db2.gz JRTUVKFXRVCOIJ-UHFFFAOYSA-N 0 0 331.347 3.499 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C1CCOCC1 ZINC001295691725 1382779032 /nfs/dbraw/zinc/77/90/32/1382779032.db2.gz LHZJRMZEDPRDJH-HNNXBMFYSA-N 0 0 336.363 3.074 10 5 EGBERN CN(Cc1nccn1Cc1ccccc1)c1ncc([N+](=O)[O-])cc1F ZINC001162644263 1382819829 /nfs/dbraw/zinc/81/98/29/1382819829.db2.gz IWQKMYHWYQTXHN-UHFFFAOYSA-N 0 0 341.346 3.010 10 5 EGBERN CC(C)(C)C(=O)NCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001162651766 1382821735 /nfs/dbraw/zinc/82/17/35/1382821735.db2.gz AMUVMBMHDSJXHP-UHFFFAOYSA-N 0 0 333.310 3.188 10 5 EGBERN COc1ccc([C@@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])cc1F ZINC001162685899 1382833227 /nfs/dbraw/zinc/83/32/27/1382833227.db2.gz GQLMVQWZDFEESX-MRVPVSSYSA-N 0 0 325.727 3.386 10 5 EGBERN CCOC(=O)CCN(CC1CC1)c1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC001162749287 1382857605 /nfs/dbraw/zinc/85/76/05/1382857605.db2.gz JWADJNFJCAFBHT-UHFFFAOYSA-N 0 0 348.399 3.357 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)ccc1F ZINC001163054220 1382955617 /nfs/dbraw/zinc/95/56/17/1382955617.db2.gz HUCLKYUEMCCHMQ-UHFFFAOYSA-N 0 0 333.319 3.102 10 5 EGBERN Cc1ccc2c(c1)nc(CNc1cc(F)c([N+](=O)[O-])cc1CO)n2C ZINC001163112949 1382968249 /nfs/dbraw/zinc/96/82/49/1382968249.db2.gz PBDHWUMGHVEHMB-UHFFFAOYSA-N 0 0 344.346 3.033 10 5 EGBERN CSc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001163200357 1382991580 /nfs/dbraw/zinc/99/15/80/1382991580.db2.gz VXIPPKZOYUCRCD-UHFFFAOYSA-N 0 0 331.397 3.052 10 5 EGBERN CNC(=O)c1ccc(Nc2ccc(OC)c(SC)c2)c([N+](=O)[O-])c1 ZINC001163473154 1383059706 /nfs/dbraw/zinc/05/97/06/1383059706.db2.gz PVMSNSNKYUTIJP-UHFFFAOYSA-N 0 0 347.396 3.429 10 5 EGBERN CC[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001296817428 1383065753 /nfs/dbraw/zinc/06/57/53/1383065753.db2.gz OROPDIXKCKNPQG-GFCCVEGCSA-N 0 0 336.779 3.171 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C(C)C)C2(CO)CCCC2)cc([N+](=O)[O-])c1 ZINC001163821062 1383125475 /nfs/dbraw/zinc/12/54/75/1383125475.db2.gz UEMPZUVHZKSGMR-INIZCTEOSA-N 0 0 334.416 3.210 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCCS3)c2c1 ZINC001163826743 1383126019 /nfs/dbraw/zinc/12/60/19/1383126019.db2.gz YEODVMMCSOVBHV-LLVKDONJSA-N 0 0 348.384 3.171 10 5 EGBERN CCc1csc(Sc2ccc(CC(=O)OC)cc2[N+](=O)[O-])n1 ZINC001163826703 1383126149 /nfs/dbraw/zinc/12/61/49/1383126149.db2.gz XOARSFWMZKSHLO-UHFFFAOYSA-N 0 0 338.410 3.480 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC001163906606 1383134718 /nfs/dbraw/zinc/13/47/18/1383134718.db2.gz MGDVMCIFSWPJRV-JOAULVNJSA-N 0 0 328.752 3.013 10 5 EGBERN COc1ccc(F)cc1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164124771 1383158613 /nfs/dbraw/zinc/15/86/13/1383158613.db2.gz OIJBPZIMAOPFAV-UHFFFAOYSA-N 0 0 335.291 3.305 10 5 EGBERN COC(=O)c1cnc(NCCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001164171066 1383162508 /nfs/dbraw/zinc/16/25/08/1383162508.db2.gz ZWNRLLIFPNSAQI-UHFFFAOYSA-N 0 0 341.367 3.310 10 5 EGBERN C[C@H](CNc1ccncc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001164254441 1383171876 /nfs/dbraw/zinc/17/18/76/1383171876.db2.gz AMDBNTRTHRIDKX-SNVBAGLBSA-N 0 0 336.189 3.390 10 5 EGBERN COCCOCCOc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001164265299 1383172841 /nfs/dbraw/zinc/17/28/41/1383172841.db2.gz SBBVOBKHIFCHLM-UHFFFAOYSA-N 0 0 332.356 3.380 10 5 EGBERN O=c1[nH]ccc(NCc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC001164310327 1383176507 /nfs/dbraw/zinc/17/65/07/1383176507.db2.gz KJTNPBSWTKGRBG-UHFFFAOYSA-N 0 0 342.124 3.209 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCc1cccc(CN2CCOCC2)c1 ZINC001165527397 1383307454 /nfs/dbraw/zinc/30/74/54/1383307454.db2.gz BUYMPYVYUWVIIC-UHFFFAOYSA-N 0 0 342.395 3.314 10 5 EGBERN CCC/C=C/[C@H](O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298143001 1383379463 /nfs/dbraw/zinc/37/94/63/1383379463.db2.gz URAYRVWSJTUAAT-XDURRLNWSA-N 0 0 332.400 3.018 10 5 EGBERN CC(C)OCc1noc(COc2cc(F)c([N+](=O)[O-])cc2Cl)n1 ZINC001166150412 1383395139 /nfs/dbraw/zinc/39/51/39/1383395139.db2.gz RFFMYGQNCGOINN-UHFFFAOYSA-N 0 0 345.714 3.274 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCc1nnc(C(F)(F)F)s1 ZINC001166163524 1383397522 /nfs/dbraw/zinc/39/75/22/1383397522.db2.gz ZGEGCMWRLBUZLR-UHFFFAOYSA-N 0 0 340.670 3.093 10 5 EGBERN O=[N+]([O-])c1cn(Cc2ncc(Cl)s2)nc1-c1ccc(F)cn1 ZINC001166239582 1383406173 /nfs/dbraw/zinc/40/61/73/1383406173.db2.gz FGEGGHFRTYCSFN-UHFFFAOYSA-N 0 0 339.739 3.151 10 5 EGBERN COc1ccc(NC(=O)CSc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001166799872 1383479274 /nfs/dbraw/zinc/47/92/74/1383479274.db2.gz OEIFERPYNJZQSJ-UHFFFAOYSA-N 0 0 333.369 3.038 10 5 EGBERN CC(C)Nc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001167085514 1383536506 /nfs/dbraw/zinc/53/65/06/1383536506.db2.gz QIWKVRBTXQNOOS-UHFFFAOYSA-N 0 0 329.356 3.433 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001299922288 1383635266 /nfs/dbraw/zinc/63/52/66/1383635266.db2.gz NSRQWLYBTSMLRB-YHYXMXQVSA-N 0 0 348.362 3.315 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC001299947671 1383636529 /nfs/dbraw/zinc/63/65/29/1383636529.db2.gz KLDVOEIOEBUOFU-ZDUSSCGKSA-N 0 0 330.344 3.039 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cnc3c(F)cccc3c2)c1[N+](=O)[O-] ZINC001300488443 1383667474 /nfs/dbraw/zinc/66/74/74/1383667474.db2.gz KQDQJLDYLMEZAH-UHFFFAOYSA-N 0 0 343.318 3.210 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1[N+](=O)[O-] ZINC001302608816 1383761185 /nfs/dbraw/zinc/76/11/85/1383761185.db2.gz NCKJTROBKRQZGQ-PXNSSMCTSA-N 0 0 336.391 3.424 10 5 EGBERN Cc1c2occ(CC(=O)Nc3cc([N+](=O)[O-])n[nH]3)c2ccc1Cl ZINC001303574493 1383806867 /nfs/dbraw/zinc/80/68/67/1383806867.db2.gz HBHCEOINWWZQDM-UHFFFAOYSA-N 0 0 334.719 3.207 10 5 EGBERN Cn1cc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC001168183672 1383837763 /nfs/dbraw/zinc/83/77/63/1383837763.db2.gz CZNUCPRTSXTMJJ-UHFFFAOYSA-N 0 0 346.406 3.455 10 5 EGBERN O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306836356 1383908327 /nfs/dbraw/zinc/90/83/27/1383908327.db2.gz YBBOPVFWAJAJIM-KBPBESRZSA-N 0 0 341.367 3.152 10 5 EGBERN NC(=O)c1cc(Nc2ccc(N3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC001306935731 1383923007 /nfs/dbraw/zinc/92/30/07/1383923007.db2.gz GGFKGOKYXYADJT-UHFFFAOYSA-N 0 0 344.346 3.177 10 5 EGBERN CC(C)n1ncc2cc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)ccc21 ZINC001306964432 1383927340 /nfs/dbraw/zinc/92/73/40/1383927340.db2.gz QTAISKVEHKHWRS-UHFFFAOYSA-N 0 0 339.355 3.368 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(CC(F)(F)F)C2)cc1C ZINC001306997473 1383931859 /nfs/dbraw/zinc/93/18/59/1383931859.db2.gz GRRZEIGEHGCMQQ-UHFFFAOYSA-N 0 0 346.305 3.469 10 5 EGBERN CCC[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC001307072391 1383937163 /nfs/dbraw/zinc/93/71/63/1383937163.db2.gz MFFXAFQUWSSFJT-SNVBAGLBSA-N 0 0 329.194 3.363 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@H]1O ZINC001307083185 1383938148 /nfs/dbraw/zinc/93/81/48/1383938148.db2.gz HOEQTLTXZRNBKZ-SCLBCKFNSA-N 0 0 340.379 3.033 10 5 EGBERN COc1cc(F)cc(C[C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])c1 ZINC001307138050 1383944181 /nfs/dbraw/zinc/94/41/81/1383944181.db2.gz HXQKVECZOVLQLA-LLVKDONJSA-N 0 0 344.346 3.433 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001307143799 1383944997 /nfs/dbraw/zinc/94/49/97/1383944997.db2.gz INDGPUHBTMEJJZ-GFCCVEGCSA-N 0 0 335.404 3.429 10 5 EGBERN COCC1(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001307148569 1383945550 /nfs/dbraw/zinc/94/55/50/1383945550.db2.gz VMKKPCPYXCLLQF-UHFFFAOYSA-N 0 0 335.791 3.447 10 5 EGBERN CC(=O)c1ccc(N2CCOc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001307180387 1383951974 /nfs/dbraw/zinc/95/19/74/1383951974.db2.gz RHEDGRKKQJZMGM-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2c3ccccc3OC[C@@H]2F)nc2ccccn21 ZINC001307206504 1383956743 /nfs/dbraw/zinc/95/67/43/1383956743.db2.gz PICIGFGRDZQUPI-SMDDNHRTSA-N 0 0 328.303 3.126 10 5 EGBERN C[C@@H]1C[C@]2(CC[C@H](CNc3ccc(Cl)cc3[N+](=O)[O-])O2)CO1 ZINC001307211407 1383957484 /nfs/dbraw/zinc/95/74/84/1383957484.db2.gz BPZVRVZGOPPUMV-IXPVHAAZSA-N 0 0 326.780 3.387 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCC(C)(O)CC2)cc1C ZINC001307208413 1383957734 /nfs/dbraw/zinc/95/77/34/1383957734.db2.gz ITRZFTGKKDJAGZ-UHFFFAOYSA-N 0 0 336.388 3.185 10 5 EGBERN Cc1cc(NCc2csc(-c3ccn(C)n3)n2)c([N+](=O)[O-])s1 ZINC001307208816 1383957866 /nfs/dbraw/zinc/95/78/66/1383957866.db2.gz NMXWFKZAKPANMY-UHFFFAOYSA-N 0 0 335.414 3.434 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CSc1ncccn1 ZINC001307258053 1383964774 /nfs/dbraw/zinc/96/47/74/1383964774.db2.gz PWGZURAONNBADI-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN Cc1nn(CC(=O)c2cc(C)c(F)cc2F)c2ncc([N+](=O)[O-])cc12 ZINC001307309542 1383969874 /nfs/dbraw/zinc/96/98/74/1383969874.db2.gz GPZUSTIIXPXGAH-UHFFFAOYSA-N 0 0 346.293 3.117 10 5 EGBERN O=c1oc2ccccc2cc1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC001307349254 1383975441 /nfs/dbraw/zinc/97/54/41/1383975441.db2.gz KFCLDKVZLSBTPI-UHFFFAOYSA-N 0 0 348.314 3.064 10 5 EGBERN CCOc1ccc(C(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001307368608 1383977593 /nfs/dbraw/zinc/97/75/93/1383977593.db2.gz NTOVSBBAVHDPJT-UHFFFAOYSA-N 0 0 346.295 3.163 10 5 EGBERN COc1cc([N+](=O)[O-])cn(Cc2c(Cl)oc3ccccc32)c1=O ZINC001307378847 1383979220 /nfs/dbraw/zinc/97/92/20/1383979220.db2.gz GROPXFRXGKUJJX-UHFFFAOYSA-N 0 0 334.715 3.213 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(Cc1nc3ccccc3c(=O)[nH]1)CC2 ZINC001307640105 1384007117 /nfs/dbraw/zinc/00/71/17/1384007117.db2.gz MCTJLRFRETUBBA-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN C[C@@]1(CO)CN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 ZINC001307983350 1384068300 /nfs/dbraw/zinc/06/83/00/1384068300.db2.gz XVKVCTKBDJIFSA-KRWDZBQOSA-N 0 0 348.786 3.398 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(CCCOc1ccc3c(c1)OCO3)CC2 ZINC001169024034 1384092183 /nfs/dbraw/zinc/09/21/83/1384092183.db2.gz ITLDCWYRDFVLPX-UHFFFAOYSA-N 0 0 342.351 3.155 10 5 EGBERN O=C(NCCC1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001328907442 1388900191 /nfs/dbraw/zinc/90/01/91/1388900191.db2.gz KXCWSTGMGRBZIN-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN CC(=O)c1ccc(OS(=O)(=O)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001309334173 1384177879 /nfs/dbraw/zinc/17/78/79/1384177879.db2.gz HAOLTVUNWHTIMT-UHFFFAOYSA-N 0 0 341.385 3.085 10 5 EGBERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001328933141 1388905283 /nfs/dbraw/zinc/90/52/83/1388905283.db2.gz XEZPPKDHYZBPAI-KBXCAEBGSA-N 0 0 342.395 3.371 10 5 EGBERN CC(C)(C)CCNC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424619 1384315372 /nfs/dbraw/zinc/31/53/72/1384315372.db2.gz NEEBOMFOXLOQFD-INIZCTEOSA-N 0 0 347.459 3.327 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12C[C@@H]1CCCC2 ZINC001312377948 1384344013 /nfs/dbraw/zinc/34/40/13/1384344013.db2.gz BIOOEKWKTPBAMN-LRDDRELGSA-N 0 0 337.807 3.423 10 5 EGBERN C[C@H](CNC(=O)N(C)OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001313352072 1384412563 /nfs/dbraw/zinc/41/25/63/1384412563.db2.gz LLWYKWRVONAPST-CQSZACIVSA-N 0 0 343.383 3.472 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001175722916 1385385330 /nfs/dbraw/zinc/38/53/30/1385385330.db2.gz BUKMKOWCZAGTQE-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H](c2ncon2)C2CC2)cc1[N+](=O)[O-] ZINC001178445501 1386219768 /nfs/dbraw/zinc/21/97/68/1386219768.db2.gz CGKKNJSBCXGCJG-CQSZACIVSA-N 0 0 344.371 3.156 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[C@H](OC)C2)cc1Cl ZINC001320668801 1386686771 /nfs/dbraw/zinc/68/67/71/1386686771.db2.gz PNVSUUMTBIDCFF-IUCAKERBSA-N 0 0 328.752 3.014 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]3C(F)(F)F)c2c1 ZINC001329290499 1389050689 /nfs/dbraw/zinc/05/06/89/1389050689.db2.gz GFPJZHCUCDHIBW-SECBINFHSA-N 0 0 332.669 3.332 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC001329555218 1389154546 /nfs/dbraw/zinc/15/45/46/1389154546.db2.gz OKDQOGXQBVAZKS-INIZCTEOSA-N 0 0 329.400 3.453 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329589701 1389169413 /nfs/dbraw/zinc/16/94/13/1389169413.db2.gz VTVDFYGJKPHMOK-KWCYVHTRSA-N 0 0 349.337 3.100 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCc1nnc(Cc2ccsc2)o1 ZINC001330056961 1389296015 /nfs/dbraw/zinc/29/60/15/1389296015.db2.gz POYWTEYGZJHCAU-UHFFFAOYSA-N 0 0 331.353 3.252 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330168035 1389323619 /nfs/dbraw/zinc/32/36/19/1389323619.db2.gz HRUBTVJTTODGHE-JLLWLGSASA-N 0 0 325.315 3.459 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2COC(C)(C)C2)cc1SC ZINC001330172594 1389325764 /nfs/dbraw/zinc/32/57/64/1389325764.db2.gz KYBCUZLCYOVDSU-VIFPVBQESA-N 0 0 341.385 3.050 10 5 EGBERN C/C(=C/C(=O)NCC(C)(C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC001330691427 1389498923 /nfs/dbraw/zinc/49/89/23/1389498923.db2.gz HOMSGCPKGNDDKY-OWBHPGMISA-N 0 0 339.395 3.487 10 5 EGBERN C[C@@H](C(=O)NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC001330939237 1389570944 /nfs/dbraw/zinc/57/09/44/1389570944.db2.gz BVRLSVAYFXVQFB-NQTXRORDSA-N 0 0 328.290 3.141 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001331230701 1389663585 /nfs/dbraw/zinc/66/35/85/1389663585.db2.gz UDYVRPQIBGJUCE-UTUOFQBUSA-N 0 0 340.326 3.157 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1F ZINC001331243739 1389666694 /nfs/dbraw/zinc/66/66/94/1389666694.db2.gz JHIRCTVWMRMNJA-HLTSFMKQSA-N 0 0 346.280 3.345 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001332005390 1389942153 /nfs/dbraw/zinc/94/21/53/1389942153.db2.gz VKQDTAHXWPLEIT-SNVBAGLBSA-N 0 0 326.780 3.183 10 5 EGBERN COc1cncc(/C=C\CCSCCn2cc([N+](=O)[O-])cn2)c1 ZINC001332412350 1390109381 /nfs/dbraw/zinc/10/93/81/1390109381.db2.gz BJKUJRUEYGSNTA-RQOWECAXSA-N 0 0 334.401 3.032 10 5 EGBERN C[C@@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@]1(F)Cl ZINC001332586818 1390137611 /nfs/dbraw/zinc/13/76/11/1390137611.db2.gz FGAGGKRRFRUJHW-CABCVRRESA-N 0 0 341.770 3.325 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332974383 1390228493 /nfs/dbraw/zinc/22/84/93/1390228493.db2.gz BBUNTTGNPPUWNY-CQSZACIVSA-N 0 0 335.404 3.071 10 5 EGBERN Cc1ccc(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(Cl)n1 ZINC001342396115 1390608291 /nfs/dbraw/zinc/60/82/91/1390608291.db2.gz PEGRCUKMQXNYNY-UHFFFAOYSA-N 0 0 331.759 3.037 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC001344086174 1390754658 /nfs/dbraw/zinc/75/46/58/1390754658.db2.gz GIFJGTBDQRZERU-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001344401041 1390788973 /nfs/dbraw/zinc/78/89/73/1390788973.db2.gz ACFCLHWDEWKPTR-ZDUSSCGKSA-N 0 0 348.380 3.213 10 5 EGBERN C[C@]12COC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c3ccccc13)C2 ZINC001344854375 1390819389 /nfs/dbraw/zinc/81/93/89/1390819389.db2.gz NQOPHWPTUVRNBK-XIKOKIGWSA-N 0 0 341.367 3.248 10 5 EGBERN CC(C)(CC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC001344937803 1390826223 /nfs/dbraw/zinc/82/62/23/1390826223.db2.gz SCVVZHBOFLCWBU-UHFFFAOYSA-N 0 0 349.261 3.250 10 5 EGBERN CC[C@@](C)(O)CCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001344958636 1390827597 /nfs/dbraw/zinc/82/75/97/1390827597.db2.gz FSZGOEOJHPIICO-HXUWFJFHSA-N 0 0 339.391 3.389 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001345744702 1390882635 /nfs/dbraw/zinc/88/26/35/1390882635.db2.gz CIFJERNNCJMBIB-JKSUJKDBSA-N 0 0 349.387 3.073 10 5 EGBERN COc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001345744955 1390882675 /nfs/dbraw/zinc/88/26/75/1390882675.db2.gz FMYMQWIXXCKISP-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001346196414 1390914541 /nfs/dbraw/zinc/91/45/41/1390914541.db2.gz FBGIFDOLBPMBLE-GWCFXTLKSA-N 0 0 327.764 3.147 10 5 EGBERN COc1cc(C(=O)OC[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001346748799 1390977211 /nfs/dbraw/zinc/97/72/11/1390977211.db2.gz YYTPBQCDYJHUIA-SNVBAGLBSA-N 0 0 341.335 3.105 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2ccccc2)CC1 ZINC001347545160 1391090588 /nfs/dbraw/zinc/09/05/88/1391090588.db2.gz ICNKWKFKDLOZDJ-KRWDZBQOSA-N 0 0 344.342 3.338 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001347678967 1391110443 /nfs/dbraw/zinc/11/04/43/1391110443.db2.gz TZEQTOMFRFJQHW-INIZCTEOSA-N 0 0 338.363 3.176 10 5 EGBERN COCC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001348045818 1391164868 /nfs/dbraw/zinc/16/48/68/1391164868.db2.gz LAUMUVZPXZCCNZ-UHFFFAOYSA-N 0 0 332.400 3.076 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001348254061 1391192852 /nfs/dbraw/zinc/19/28/52/1391192852.db2.gz JKQUOTRRLFOHAU-ZBFHGGJFSA-N 0 0 343.383 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Oc2ccccc2)c1 ZINC001348375547 1391211351 /nfs/dbraw/zinc/21/13/51/1391211351.db2.gz WRZFRPJPWYNEFE-UHFFFAOYSA-N 0 0 337.335 3.367 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001348468525 1391223822 /nfs/dbraw/zinc/22/38/22/1391223822.db2.gz KIVXESAAEUCFGH-INIZCTEOSA-N 0 0 330.340 3.238 10 5 EGBERN O=C(c1ccc(F)c2ccncc12)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349434086 1391330071 /nfs/dbraw/zinc/33/00/71/1391330071.db2.gz QYQDHWGJRSHNEZ-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349446233 1391331719 /nfs/dbraw/zinc/33/17/19/1391331719.db2.gz FOHIYXNHAWNCQS-OFQRWUPVSA-N 0 0 339.351 3.109 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001349537103 1391338753 /nfs/dbraw/zinc/33/87/53/1391338753.db2.gz UYSFILVBSMZACA-VXGBXAGGSA-N 0 0 348.305 3.242 10 5 EGBERN CCNC(=O)c1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001349572699 1391342051 /nfs/dbraw/zinc/34/20/51/1391342051.db2.gz BBEBTKYMSSWKIC-UHFFFAOYSA-N 0 0 341.367 3.214 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)n1ccc(C(F)(F)F)n1 ZINC001349885724 1391381011 /nfs/dbraw/zinc/38/10/11/1391381011.db2.gz JRQUWIWNWOOCBK-SSDOTTSWSA-N 0 0 346.240 3.149 10 5 EGBERN Cc1c(NC(=O)c2cnc(N(C)C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001349899653 1391383180 /nfs/dbraw/zinc/38/31/80/1391383180.db2.gz QNZCOUPIQPEHKK-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001350012454 1391398182 /nfs/dbraw/zinc/39/81/82/1391398182.db2.gz JDYIRWAMMMONSR-MRXNPFEDSA-N 0 0 331.324 3.034 10 5 EGBERN COc1ccccc1C(F)(F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001350389351 1391457591 /nfs/dbraw/zinc/45/75/91/1391457591.db2.gz QVUMOMMJFCBNCH-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN CC1(C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1(C)C ZINC001350616652 1391491135 /nfs/dbraw/zinc/49/11/35/1391491135.db2.gz QPQSHAWSYJWRCI-UHFFFAOYSA-N 0 0 326.784 3.483 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCSc3ccccc32)n1 ZINC001350676842 1391504440 /nfs/dbraw/zinc/50/44/40/1391504440.db2.gz VABNZFLZGKWIKE-ZDUSSCGKSA-N 0 0 329.381 3.265 10 5 EGBERN Cc1nnc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC001350787412 1391531315 /nfs/dbraw/zinc/53/13/15/1391531315.db2.gz PIJMPUKRCZUCOY-UHFFFAOYSA-N 0 0 332.263 3.026 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001350917944 1391558353 /nfs/dbraw/zinc/55/83/53/1391558353.db2.gz STUYQGQTZBWFKL-MRXNPFEDSA-N 0 0 334.416 3.489 10 5 EGBERN O=C(NC1([C@@H]2CCCO2)CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001351073212 1391591541 /nfs/dbraw/zinc/59/15/41/1391591541.db2.gz ZXZLEPJPCGEWGE-HNNXBMFYSA-N 0 0 330.340 3.173 10 5 EGBERN COc1cccn2ncc(C(=O)Oc3c(C)cc(C)cc3[N+](=O)[O-])c12 ZINC001351096614 1391596229 /nfs/dbraw/zinc/59/62/29/1391596229.db2.gz DFSGDZRKJYYHEY-UHFFFAOYSA-N 0 0 341.323 3.087 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C)cc(OC)c1C ZINC001351285011 1391621449 /nfs/dbraw/zinc/62/14/49/1391621449.db2.gz KITPMFVRGJXWKL-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC001351324803 1391627316 /nfs/dbraw/zinc/62/73/16/1391627316.db2.gz ALOIVAMIEYUPAA-UHFFFAOYSA-N 0 0 338.703 3.189 10 5 EGBERN COc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC001351798116 1391691432 /nfs/dbraw/zinc/69/14/32/1391691432.db2.gz WJKKGHUTLFGKIJ-UHFFFAOYSA-N 0 0 335.287 3.035 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001352646289 1391827755 /nfs/dbraw/zinc/82/77/55/1391827755.db2.gz CJOUZGUGPKEPFS-STQMWFEESA-N 0 0 345.286 3.384 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC2CC2)nc1 ZINC001352648143 1391827993 /nfs/dbraw/zinc/82/79/93/1391827993.db2.gz OJAGHAFHQIOJSJ-UHFFFAOYSA-N 0 0 332.747 3.470 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2c(cc1Cl)NC(=O)C2 ZINC001352646752 1391828360 /nfs/dbraw/zinc/82/83/60/1391828360.db2.gz FYBCKPJXRHOREA-UHFFFAOYSA-N 0 0 349.705 3.134 10 5 EGBERN COc1ccc(C)cc1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001352857163 1391863792 /nfs/dbraw/zinc/86/37/92/1391863792.db2.gz TXLMROMLICQNSV-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1nccc2ccsc21 ZINC001353655034 1392061096 /nfs/dbraw/zinc/06/10/96/1392061096.db2.gz FCRFVHUJDSESIY-UHFFFAOYSA-N 0 0 330.321 3.432 10 5 EGBERN C/C=C\COc1cccc(CC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001353681768 1392066696 /nfs/dbraw/zinc/06/66/96/1392066696.db2.gz NEGQJLBOBIUDKN-IHWYPQMZSA-N 0 0 340.379 3.409 10 5 EGBERN O=C(Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001353788678 1392089358 /nfs/dbraw/zinc/08/93/58/1392089358.db2.gz HOTWLFGFMMNCQV-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C(Cc1cccc2cnccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353900447 1392106677 /nfs/dbraw/zinc/10/66/77/1392106677.db2.gz HKQQAYHTYYBDDL-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc([N+](=O)[O-])s1 ZINC001353962856 1392110200 /nfs/dbraw/zinc/11/02/00/1392110200.db2.gz LSXXFTZOKAVEIJ-UHFFFAOYSA-N 0 0 342.336 3.491 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001354103760 1392120386 /nfs/dbraw/zinc/12/03/86/1392120386.db2.gz DZYZKQFWPPPUSQ-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001354160393 1392123717 /nfs/dbraw/zinc/12/37/17/1392123717.db2.gz BPEUSCBJERTMDO-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354287565 1392136418 /nfs/dbraw/zinc/13/64/18/1392136418.db2.gz OEXFLAIUMLIVEN-KBPBESRZSA-N 0 0 332.306 3.293 10 5 EGBERN Cn1cc(-c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cn1 ZINC001354389225 1392141587 /nfs/dbraw/zinc/14/15/87/1392141587.db2.gz OOVSJYWFQSIOKX-UHFFFAOYSA-N 0 0 348.362 3.198 10 5 EGBERN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001354471482 1392146286 /nfs/dbraw/zinc/14/62/86/1392146286.db2.gz KKJRGTFHJKRBQR-BMFZPTHFSA-N 0 0 348.761 3.350 10 5 EGBERN COCCOc1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001354633636 1392157678 /nfs/dbraw/zinc/15/76/78/1392157678.db2.gz FJZXWVAPWFBORY-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN Cc1noc([C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001687586831 1396416209 /nfs/dbraw/zinc/41/62/09/1396416209.db2.gz BEUIVDXLKHHUMF-HZMBPMFUSA-N 0 0 347.375 3.044 10 5 EGBERN CC(C)CC1(C(=O)NC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001692214980 1405848091 /nfs/dbraw/zinc/84/80/91/1405848091.db2.gz ISENUNVPWQJWIF-UHFFFAOYSA-N 0 0 345.443 3.112 10 5 EGBERN CN(CCNC(=O)C=C1CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001713447477 1418087742 /nfs/dbraw/zinc/08/77/42/1418087742.db2.gz WTOWQLIJNPYNST-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@H](C)C1 ZINC001730964747 1427185824 /nfs/dbraw/zinc/18/58/24/1427185824.db2.gz HETYLPPPSUKDGA-STQMWFEESA-N 0 0 345.403 3.287 10 5 EGBERN CCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001764391483 1441389720 /nfs/dbraw/zinc/38/97/20/1441389720.db2.gz QWTPTTCXYBBRRL-UHFFFAOYSA-N 0 0 329.404 3.185 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000370588385 168515626 /nfs/dbraw/zinc/51/56/26/168515626.db2.gz LDRFZGXRASGXIR-UHFFFAOYSA-N 0 0 349.346 3.448 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000372038321 168689015 /nfs/dbraw/zinc/68/90/15/168689015.db2.gz NMBPBMZYXKPLEE-LLVKDONJSA-N 0 0 342.342 3.152 10 5 EGBERN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1 ZINC000021587546 202067056 /nfs/dbraw/zinc/06/70/56/202067056.db2.gz UAJCDQCCKKDCEA-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN CC(C)CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037975663 202071611 /nfs/dbraw/zinc/07/16/11/202071611.db2.gz OORIZLHUMGGDNM-SNVBAGLBSA-N 0 0 334.825 3.351 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2ccc(F)cc2)C2CC2)nc1NC1CC1 ZINC000025492985 202132355 /nfs/dbraw/zinc/13/23/55/202132355.db2.gz FZGJZXFPHQMXPQ-UHFFFAOYSA-N 0 0 343.362 3.267 10 5 EGBERN CCc1ccc(Cl)c(CC)c1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000026982204 202151344 /nfs/dbraw/zinc/15/13/44/202151344.db2.gz AUPNXRLDTUXTGA-UHFFFAOYSA-N 0 0 336.779 3.208 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000036314618 202321839 /nfs/dbraw/zinc/32/18/39/202321839.db2.gz BEGUATBOAJBPSJ-GOSISDBHSA-N 0 0 340.379 3.416 10 5 EGBERN O=[N+]([O-])c1c2ncsc2ccc1-n1cc(Br)cn1 ZINC000038074934 202391224 /nfs/dbraw/zinc/39/12/24/202391224.db2.gz FBIMTCYJGDKCPO-UHFFFAOYSA-N 0 0 325.147 3.153 10 5 EGBERN COc1ccccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104696 201332035 /nfs/dbraw/zinc/33/20/35/201332035.db2.gz MSQXYJGMJPISPH-LLVKDONJSA-N 0 0 331.328 3.362 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1cccc2c1OCO2 ZINC000097152247 201379788 /nfs/dbraw/zinc/37/97/88/201379788.db2.gz LYVTXGOZBBOCRU-SREVYHEPSA-N 0 0 342.307 3.066 10 5 EGBERN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000021794919 212250598 /nfs/dbraw/zinc/25/05/98/212250598.db2.gz LAKPACDBNVTCFS-JTQLQIEISA-N 0 0 340.339 3.484 10 5 EGBERN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000363569826 241955960 /nfs/dbraw/zinc/95/59/60/241955960.db2.gz VYBUUZOQYPKUNI-MRXNPFEDSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000369714785 242016161 /nfs/dbraw/zinc/01/61/61/242016161.db2.gz LTTKNHZROJPLBQ-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1c[nH]c2ccccc12 ZINC000069569863 203021575 /nfs/dbraw/zinc/02/15/75/203021575.db2.gz KEKWKCRTZIWBAN-UHFFFAOYSA-N 0 0 347.334 3.218 10 5 EGBERN Cc1ccc(-n2ccnc2)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000069775281 203049259 /nfs/dbraw/zinc/04/92/59/203049259.db2.gz ZSPDMZOQYQFEKF-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000071907510 203146027 /nfs/dbraw/zinc/14/60/27/203146027.db2.gz XHJRRIHLRWINSW-SNVBAGLBSA-N 0 0 327.296 3.334 10 5 EGBERN COc1ccc(-c2nc3nccc(-c4ccc([N+](=O)[O-])cc4)n3n2)cc1 ZINC000072451496 203226395 /nfs/dbraw/zinc/22/63/95/203226395.db2.gz KFQYARNVRUHLQH-UHFFFAOYSA-N 0 0 347.334 3.375 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345678103 284141337 /nfs/dbraw/zinc/14/13/37/284141337.db2.gz NAXBDVXAPOZXHV-HZPDHXFCSA-N 0 0 333.347 3.429 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127566616 203540726 /nfs/dbraw/zinc/54/07/26/203540726.db2.gz QLJMUZBGROQHGD-ZBEGNZNMSA-N 0 0 338.791 3.015 10 5 EGBERN O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2CN1Cc1ccc(Cl)cc1 ZINC000089211128 203570163 /nfs/dbraw/zinc/57/01/63/203570163.db2.gz YDEBAONQNNLZRS-UHFFFAOYSA-N 0 0 347.714 3.312 10 5 EGBERN Cc1nc(-c2cccc(C)c2)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095974837 203781644 /nfs/dbraw/zinc/78/16/44/203781644.db2.gz YNRZGCCEHLNUQK-QGZVFWFLSA-N 0 0 338.367 3.204 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000375042367 168794574 /nfs/dbraw/zinc/79/45/74/168794574.db2.gz KYAXLCVGMVVZDM-GOSISDBHSA-N 0 0 342.351 3.081 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000097235352 203935282 /nfs/dbraw/zinc/93/52/82/203935282.db2.gz GQSBTLXLCPELIH-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN Cc1nn([C@@H](C)c2cccc([N+](=O)[O-])c2)c(N)c1Br ZINC000043668466 204286640 /nfs/dbraw/zinc/28/66/40/204286640.db2.gz SMYLTZXTWGRZBG-QMMMGPOBSA-N 0 0 325.166 3.054 10 5 EGBERN Cc1c(CCC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000132992179 205350609 /nfs/dbraw/zinc/35/06/09/205350609.db2.gz NCHRILVRVYPFAJ-ZDUSSCGKSA-N 0 0 331.372 3.182 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2ccccn2)CCC1 ZINC000375921286 168844850 /nfs/dbraw/zinc/84/48/50/168844850.db2.gz ITZHRHUIUVSWIS-UHFFFAOYSA-N 0 0 325.368 3.150 10 5 EGBERN CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C)c1cccnc1 ZINC000160053619 206278067 /nfs/dbraw/zinc/27/80/67/206278067.db2.gz IWVARZUKBAJFNK-JTQLQIEISA-N 0 0 335.310 3.491 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000161389970 206346121 /nfs/dbraw/zinc/34/61/21/206346121.db2.gz QVFDIWQBXHIHKE-ZDUSSCGKSA-N 0 0 332.381 3.178 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOc2cc(F)ccc21 ZINC000118371107 284599145 /nfs/dbraw/zinc/59/91/45/284599145.db2.gz DESHRRXFLZKVKT-UHFFFAOYSA-N 0 0 341.298 3.254 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000177278474 284660717 /nfs/dbraw/zinc/66/07/17/284660717.db2.gz OWECOARVPDTBAA-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@](C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000408049957 169158224 /nfs/dbraw/zinc/15/82/24/169158224.db2.gz GYBGIRZBLBPKAO-FZKQIMNGSA-N 0 0 349.406 3.405 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000408203905 169164679 /nfs/dbraw/zinc/16/46/79/169164679.db2.gz FMKGMOWXIRXUPS-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN COCC(C)(C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000343512169 284792114 /nfs/dbraw/zinc/79/21/14/284792114.db2.gz YBCOBEUMQPRFML-UHFFFAOYSA-N 0 0 334.294 3.016 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1cccs1 ZINC000172064065 206784348 /nfs/dbraw/zinc/78/43/48/206784348.db2.gz YDYBNIQYKTXHDW-UHFFFAOYSA-N 0 0 334.397 3.259 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000176937867 207275616 /nfs/dbraw/zinc/27/56/16/207275616.db2.gz TZMHCHQSUGQWJB-GXFFZTMASA-N 0 0 327.427 3.356 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCSc4ccc(F)cc43)nn21 ZINC000131077850 285185874 /nfs/dbraw/zinc/18/58/74/285185874.db2.gz FPYLDYBPXWBMRT-LLVKDONJSA-N 0 0 345.359 3.426 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC000281714908 257937272 /nfs/dbraw/zinc/93/72/72/257937272.db2.gz CRKLNMAGEYURBE-OAHLLOKOSA-N 0 0 328.372 3.263 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC2(CCCC2)C1 ZINC000363817603 533405670 /nfs/dbraw/zinc/40/56/70/533405670.db2.gz ISAAIBQMDILAFJ-WYMLVPIESA-N 0 0 330.384 3.170 10 5 EGBERN COc1ccc(CNC(=O)CSc2cccc([N+](=O)[O-])c2)cc1 ZINC000337907098 141071061 /nfs/dbraw/zinc/07/10/61/141071061.db2.gz DFOWHAOISPHQDV-UHFFFAOYSA-N 0 0 332.381 3.012 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@@H]1C(F)F ZINC000338035918 141077916 /nfs/dbraw/zinc/07/79/16/141077916.db2.gz SBXPPGGLGBBVOC-UWVGGRQHSA-N 0 0 338.232 3.131 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338083431 141090533 /nfs/dbraw/zinc/09/05/33/141090533.db2.gz CUGMYMSXJYZSPZ-HNNXBMFYSA-N 0 0 330.315 3.160 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000339458611 141115334 /nfs/dbraw/zinc/11/53/34/141115334.db2.gz VNXHLUAYONXGMS-NSHDSACASA-N 0 0 347.318 3.453 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC000341264547 141147200 /nfs/dbraw/zinc/14/72/00/141147200.db2.gz QMSODWQDIPVUBK-SNVBAGLBSA-N 0 0 340.314 3.168 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(-c3ccccc3)no1)CC2 ZINC000353004154 141283617 /nfs/dbraw/zinc/28/36/17/141283617.db2.gz KPLWAEDOTKTPSS-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN C[C@@H](C(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000356282672 141335439 /nfs/dbraw/zinc/33/54/39/141335439.db2.gz NYVKQHUCJFKZJE-MRVPVSSYSA-N 0 0 334.269 3.296 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173010238 144033664 /nfs/dbraw/zinc/03/36/64/144033664.db2.gz WDAQIPHYQPQMQZ-KDOFPFPSSA-N 0 0 340.379 3.126 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000173442044 144041643 /nfs/dbraw/zinc/04/16/43/144041643.db2.gz UWAVOCCKJJFKEU-SECBINFHSA-N 0 0 336.373 3.140 10 5 EGBERN CSc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000186343282 144130790 /nfs/dbraw/zinc/13/07/90/144130790.db2.gz ICHPMGFUKCHEAY-GFCCVEGCSA-N 0 0 330.365 3.180 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187294639 144156456 /nfs/dbraw/zinc/15/64/56/144156456.db2.gz JJZZNDKOUQZNAO-UHFFFAOYSA-N 0 0 337.379 3.081 10 5 EGBERN Cc1nnc([C@H]2CCCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000351730547 144297926 /nfs/dbraw/zinc/29/79/26/144297926.db2.gz PPBGESHXCAOTNF-CQSZACIVSA-N 0 0 337.330 3.027 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000363879117 144373492 /nfs/dbraw/zinc/37/34/92/144373492.db2.gz YCOZFISEORTFJQ-OAHLLOKOSA-N 0 0 325.368 3.085 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119985763 152243037 /nfs/dbraw/zinc/24/30/37/152243037.db2.gz HEAXAJCPBHXUSI-LLVKDONJSA-N 0 0 332.331 3.143 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000121083998 152324218 /nfs/dbraw/zinc/32/42/18/152324218.db2.gz PTQRWKRQIIOXPV-SMDDNHRTSA-N 0 0 349.749 3.377 10 5 EGBERN Cc1nnnn1-c1cccc(NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000122450358 152407033 /nfs/dbraw/zinc/40/70/33/152407033.db2.gz LIDXTLCUYNHIGX-UHFFFAOYSA-N 0 0 344.762 3.144 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000153507524 152542858 /nfs/dbraw/zinc/54/28/58/152542858.db2.gz LBHHEHLZNQJZJP-NSHDSACASA-N 0 0 345.403 3.049 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000156022296 152652561 /nfs/dbraw/zinc/65/25/61/152652561.db2.gz RISWWSLNEOUZMB-INIZCTEOSA-N 0 0 345.355 3.410 10 5 EGBERN COc1cc(CN[C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1O ZINC000188882100 153038418 /nfs/dbraw/zinc/03/84/18/153038418.db2.gz KHGVLTFAAQVJFB-CQSZACIVSA-N 0 0 344.367 3.231 10 5 EGBERN Cc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000190149053 153120928 /nfs/dbraw/zinc/12/09/28/153120928.db2.gz QCJBKJGKZDKEPY-OAHLLOKOSA-N 0 0 326.352 3.465 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000190346927 153133256 /nfs/dbraw/zinc/13/32/56/153133256.db2.gz PRZMHZPUCPFZJZ-HOCLYGCPSA-N 0 0 335.404 3.082 10 5 EGBERN Nc1c(C(=O)NCc2ccc(C3CC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000191324271 153186757 /nfs/dbraw/zinc/18/67/57/153186757.db2.gz VOZBXARMYMTRCM-UHFFFAOYSA-N 0 0 329.331 3.124 10 5 EGBERN CCc1nc(C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n[nH]1 ZINC000191691139 153217448 /nfs/dbraw/zinc/21/74/48/153217448.db2.gz HQDLAMCTMPWNCP-UHFFFAOYSA-N 0 0 349.822 3.308 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000192599131 153251188 /nfs/dbraw/zinc/25/11/88/153251188.db2.gz HMGPUGKDYPWGLY-UHFFFAOYSA-N 0 0 348.378 3.307 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000195104179 153380521 /nfs/dbraw/zinc/38/05/21/153380521.db2.gz CLEUNXRCYSDOCV-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ncccc1C ZINC000341639384 155396615 /nfs/dbraw/zinc/39/66/15/155396615.db2.gz NOEXJQGTDAHOMO-UHFFFAOYSA-N 0 0 329.356 3.039 10 5 EGBERN C[C@@H]1C[C@@H](CSCCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000336975482 154252265 /nfs/dbraw/zinc/25/22/65/154252265.db2.gz VLRXJBHOFGOLKF-OLZOCXBDSA-N 0 0 338.429 3.472 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCc2ccncn2)cc1[N+](=O)[O-] ZINC000341716337 155442455 /nfs/dbraw/zinc/44/24/55/155442455.db2.gz WYBIOEUOSHLTDV-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000341064955 155131541 /nfs/dbraw/zinc/13/15/41/155131541.db2.gz HSGVOKSHMKCLKO-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CSC1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 ZINC000346869511 156171715 /nfs/dbraw/zinc/17/17/15/156171715.db2.gz MTGICFQMNNXIQI-UHFFFAOYSA-N 0 0 330.369 3.402 10 5 EGBERN CC(C)[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000346880583 156175508 /nfs/dbraw/zinc/17/55/08/156175508.db2.gz DGRHXSUUQAAGNM-CQSZACIVSA-N 0 0 343.305 3.253 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cccc(C)c1[N+](=O)[O-])CC2 ZINC000347016699 156249307 /nfs/dbraw/zinc/24/93/07/156249307.db2.gz SQDJEHPYYMBQRN-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN COC1CCC(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000354412698 156508250 /nfs/dbraw/zinc/50/82/50/156508250.db2.gz HBYQXRXRFVWXMP-UHFFFAOYSA-N 0 0 344.209 3.369 10 5 EGBERN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057500 157003353 /nfs/dbraw/zinc/00/33/53/157003353.db2.gz OCFVNLUWFXYBCF-SNVBAGLBSA-N 0 0 342.138 3.093 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000362135701 157038573 /nfs/dbraw/zinc/03/85/73/157038573.db2.gz SVGUKDTYWSSYHH-OAHLLOKOSA-N 0 0 330.388 3.135 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000105846939 162057960 /nfs/dbraw/zinc/05/79/60/162057960.db2.gz WUOKLASIZURSIG-INIZCTEOSA-N 0 0 342.399 3.231 10 5 EGBERN CCCc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000109912427 162115874 /nfs/dbraw/zinc/11/58/74/162115874.db2.gz KUSTVSSOIYIHIM-UHFFFAOYSA-N 0 0 343.387 3.123 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000110378524 162126513 /nfs/dbraw/zinc/12/65/13/162126513.db2.gz MUHQZCZRBKVZKQ-HNNXBMFYSA-N 0 0 340.379 3.453 10 5 EGBERN C[S@](=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000110932651 162139018 /nfs/dbraw/zinc/13/90/18/162139018.db2.gz COMWOXTXADQEEE-XMMPIXPASA-N 0 0 343.364 3.066 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000114145062 162222545 /nfs/dbraw/zinc/22/25/45/162222545.db2.gz FJWOWIDMTOZDBR-CQSZACIVSA-N 0 0 342.351 3.116 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000114557767 162238911 /nfs/dbraw/zinc/23/89/11/162238911.db2.gz QOHTZHQJRXTZDD-KRWDZBQOSA-N 0 0 332.404 3.233 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248941656 163047298 /nfs/dbraw/zinc/04/72/98/163047298.db2.gz YVZMIUCFGFFRHT-BHYGNILZSA-N 0 0 347.415 3.303 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1C(F)F ZINC000337277752 163191236 /nfs/dbraw/zinc/19/12/36/163191236.db2.gz HACGCMBATNXMQL-NSHDSACASA-N 0 0 328.315 3.253 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338497264 163247239 /nfs/dbraw/zinc/24/72/39/163247239.db2.gz QIMZYPTYCOFYAQ-LLVKDONJSA-N 0 0 346.861 3.351 10 5 EGBERN CCOc1cccc(N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)c1[N+](=O)[O-] ZINC000338839543 163360300 /nfs/dbraw/zinc/36/03/00/163360300.db2.gz HDHSINONLNDHPP-KBMXLJTQSA-N 0 0 346.387 3.021 10 5 EGBERN CCc1nc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000354730271 166019046 /nfs/dbraw/zinc/01/90/46/166019046.db2.gz ZSYQVZQZXOUZCU-UHFFFAOYSA-N 0 0 337.763 3.080 10 5 EGBERN O=C(NC[C@H]1CCCCS1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000342667383 163937584 /nfs/dbraw/zinc/93/75/84/163937584.db2.gz RRUNMSSQPXYRCG-SNVBAGLBSA-N 0 0 346.355 3.212 10 5 EGBERN COc1cc(C(=O)N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000343649682 164003082 /nfs/dbraw/zinc/00/30/82/164003082.db2.gz ILYQUXPKXAFNCI-LBPRGKRZSA-N 0 0 334.372 3.040 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1scnc1C1CC1 ZINC000343684509 164011949 /nfs/dbraw/zinc/01/19/49/164011949.db2.gz XYLIEBQEWXUPNX-UHFFFAOYSA-N 0 0 339.323 3.388 10 5 EGBERN O=C(NCc1ccc(-c2ccccc2)cc1F)c1[nH]ncc1[N+](=O)[O-] ZINC000343710191 164018075 /nfs/dbraw/zinc/01/80/75/164018075.db2.gz JFORCWABGFGHJB-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(OC)ccc1F ZINC000343763099 164029117 /nfs/dbraw/zinc/02/91/17/164029117.db2.gz JSGVJXHXCGTOOF-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN COc1cc(NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000343917445 164065495 /nfs/dbraw/zinc/06/54/95/164065495.db2.gz KTXNVTQHVPIWOU-UHFFFAOYSA-N 0 0 333.363 3.286 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000344257007 164139345 /nfs/dbraw/zinc/13/93/45/164139345.db2.gz AVYLYLNGTGBSDM-UHFFFAOYSA-N 0 0 334.351 3.311 10 5 EGBERN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000346079059 164331873 /nfs/dbraw/zinc/33/18/73/164331873.db2.gz UDBRTKWDRHIFOW-UONOGXRCSA-N 0 0 330.340 3.164 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(Cl)c1 ZINC000346417922 164383311 /nfs/dbraw/zinc/38/33/11/164383311.db2.gz DQXYJCXXWUMDLZ-HNNXBMFYSA-N 0 0 349.774 3.069 10 5 EGBERN CCOc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1F ZINC000347417436 164497063 /nfs/dbraw/zinc/49/70/63/164497063.db2.gz UIJKYKJOZTURGR-UHFFFAOYSA-N 0 0 342.330 3.110 10 5 EGBERN CC(C)Oc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccn1 ZINC000348241613 164676177 /nfs/dbraw/zinc/67/61/77/164676177.db2.gz CZSCJHPQRCUZRI-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC)c1nccs1 ZINC000348280938 164693554 /nfs/dbraw/zinc/69/35/54/164693554.db2.gz RKPVNCHAJJBGHV-SNVBAGLBSA-N 0 0 335.385 3.331 10 5 EGBERN CNC(=O)c1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352022317 165195133 /nfs/dbraw/zinc/19/51/33/165195133.db2.gz WVXFJVPLXIKQPI-UHFFFAOYSA-N 0 0 349.774 3.229 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000352252697 165310210 /nfs/dbraw/zinc/31/02/10/165310210.db2.gz FLSRUJMOLQSESI-KRWDZBQOSA-N 0 0 333.388 3.328 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353660724 165851474 /nfs/dbraw/zinc/85/14/74/165851474.db2.gz DJFQIEQQFXZVEV-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1csc(-c2ccccn2)n1 ZINC000353930179 165924282 /nfs/dbraw/zinc/92/42/82/165924282.db2.gz VYSMMNXKRLENLU-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000355176047 166124295 /nfs/dbraw/zinc/12/42/95/166124295.db2.gz KIOFWSDUBAMLOM-DIFFPNOSSA-N 0 0 338.379 3.041 10 5 EGBERN Cc1sc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355178109 166124596 /nfs/dbraw/zinc/12/45/96/166124596.db2.gz MATFKMKPEOAWFA-QFYYESIMSA-N 0 0 340.445 3.272 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355407163 166187207 /nfs/dbraw/zinc/18/72/07/166187207.db2.gz UMGNQZQDPKDLSZ-CQSZACIVSA-N 0 0 345.424 3.003 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000355931610 166351184 /nfs/dbraw/zinc/35/11/84/166351184.db2.gz BVVUVWROYZNFCH-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN COc1c(C(=O)NC2(c3nc(C)cs3)CCC2)cccc1[N+](=O)[O-] ZINC000356145157 166414731 /nfs/dbraw/zinc/41/47/31/166414731.db2.gz GBSLULKHYLVABH-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356487482 166430212 /nfs/dbraw/zinc/43/02/12/166430212.db2.gz VXHROYWUQXOEDU-WMZOPIPTSA-N 0 0 344.342 3.203 10 5 EGBERN O=[N+]([O-])c1ccn(Cc2nc(-c3ccc4sccc4c3)no2)n1 ZINC000356596372 166459463 /nfs/dbraw/zinc/45/94/63/166459463.db2.gz RDKAMAZMAWALLT-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCCC[C@H]1CCO ZINC000356781494 166508441 /nfs/dbraw/zinc/50/84/41/166508441.db2.gz BIIVFKMQPQSPIU-ZDUSSCGKSA-N 0 0 332.356 3.108 10 5 EGBERN Cc1cc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)no1 ZINC000356941300 166543565 /nfs/dbraw/zinc/54/35/65/166543565.db2.gz WFCJRIAWZRHYCW-UHFFFAOYSA-N 0 0 325.284 3.013 10 5 EGBERN COc1cc(CNc2ccccc2C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000357876778 166800043 /nfs/dbraw/zinc/80/00/43/166800043.db2.gz YJQZBKSCBJHCHD-HSZRJFAPSA-N 0 0 334.397 3.094 10 5 EGBERN CC[C@@H]1C[C@@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000358905736 167000801 /nfs/dbraw/zinc/00/08/01/167000801.db2.gz NIDYHVUAOJNFDX-HEHGZKQESA-N 0 0 332.400 3.468 10 5 EGBERN COc1ccc(OCCOCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000358963766 167020371 /nfs/dbraw/zinc/02/03/71/167020371.db2.gz KPAQOSQJOYQPDV-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN COCCOc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359112065 167070098 /nfs/dbraw/zinc/07/00/98/167070098.db2.gz XJQBBTGHTYSAMD-UHFFFAOYSA-N 0 0 331.372 3.244 10 5 EGBERN Cc1nc2ccccc2n1CCCCCn1cc([N+](=O)[O-])ccc1=O ZINC000359174499 167087965 /nfs/dbraw/zinc/08/79/65/167087965.db2.gz JJMKKBOXZZRJAY-UHFFFAOYSA-N 0 0 340.383 3.285 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359189214 167091352 /nfs/dbraw/zinc/09/13/52/167091352.db2.gz DBRDTBZUNJHGLT-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN O=C(Nc1ncc(-c2cccnc2)s1)c1ccccc1[N+](=O)[O-] ZINC000359367126 167137740 /nfs/dbraw/zinc/13/77/40/167137740.db2.gz ZBIZYAXPNBEXSO-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CCC(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000359370198 167139055 /nfs/dbraw/zinc/13/90/55/167139055.db2.gz MKLDFXBJWZIZPQ-ZDUSSCGKSA-N 0 0 342.351 3.439 10 5 EGBERN CNC(=O)C[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000360282353 167289083 /nfs/dbraw/zinc/28/90/83/167289083.db2.gz FUYWBEPEBRXHFN-INIZCTEOSA-N 0 0 341.367 3.087 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000360515796 167346723 /nfs/dbraw/zinc/34/67/23/167346723.db2.gz QCRHCIWEVPMVSS-NSHDSACASA-N 0 0 330.388 3.309 10 5 EGBERN Cc1cc(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1Cl ZINC000360594378 167365324 /nfs/dbraw/zinc/36/53/24/167365324.db2.gz CUTQMQBNXHFXED-UHFFFAOYSA-N 0 0 334.759 3.235 10 5 EGBERN CNc1c(C(=O)N[C@H](C)CCc2ccc(C)o2)cccc1[N+](=O)[O-] ZINC000361214226 167557790 /nfs/dbraw/zinc/55/77/90/167557790.db2.gz UWRTWMGTXIWZJX-LLVKDONJSA-N 0 0 331.372 3.289 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000361361978 167603061 /nfs/dbraw/zinc/60/30/61/167603061.db2.gz NPKOIOQPVHIZPB-UHFFFAOYSA-N 0 0 327.344 3.185 10 5 EGBERN Nc1c(C(=O)NCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000362484637 167770989 /nfs/dbraw/zinc/77/09/89/167770989.db2.gz FRKKESBXNQLASE-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN CC(C)c1nc([C@H]2CCCCCN2c2ncc([N+](=O)[O-])cn2)no1 ZINC000364993061 168008564 /nfs/dbraw/zinc/00/85/64/168008564.db2.gz WHWRQLFRHUDDJJ-GFCCVEGCSA-N 0 0 332.364 3.013 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000366916249 168155754 /nfs/dbraw/zinc/15/57/54/168155754.db2.gz XCNMPZSADOXIJF-HNNXBMFYSA-N 0 0 329.360 3.087 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000367970321 168291074 /nfs/dbraw/zinc/29/10/74/168291074.db2.gz MGYOGTDRNFDTEB-RHSMWYFYSA-N 0 0 344.342 3.384 10 5 EGBERN CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125254349 222539422 /nfs/dbraw/zinc/53/94/22/222539422.db2.gz SHFGGTFMJLFTLQ-GFCCVEGCSA-N 0 0 326.418 3.015 10 5 EGBERN C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccnc1 ZINC000174068004 265021099 /nfs/dbraw/zinc/02/10/99/265021099.db2.gz HFXQBPOBSRPRGN-LLVKDONJSA-N 0 0 337.339 3.122 10 5 EGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174472921 265052184 /nfs/dbraw/zinc/05/21/84/265052184.db2.gz SLHYLNXAUOSOLQ-JTQLQIEISA-N 0 0 345.403 3.006 10 5 EGBERN CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882101 265077850 /nfs/dbraw/zinc/07/78/50/265077850.db2.gz QWDINPDSTTZLMJ-XJKSGUPXSA-N 0 0 332.404 3.420 10 5 EGBERN C[C@H](COCc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000176342715 265171955 /nfs/dbraw/zinc/17/19/55/265171955.db2.gz CIRGKVDPMPHARH-OAHLLOKOSA-N 0 0 342.395 3.249 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000177862289 265281806 /nfs/dbraw/zinc/28/18/06/265281806.db2.gz GTXHZBWICDSZCF-KGLIPLIRSA-N 0 0 330.388 3.155 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187006953 265570959 /nfs/dbraw/zinc/57/09/59/265570959.db2.gz OCSJFQNTZMSXBV-JSGCOSHPSA-N 0 0 335.404 3.221 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2O)n1 ZINC000191865369 265937901 /nfs/dbraw/zinc/93/79/01/265937901.db2.gz IFMLDPAQSXWRJD-UHFFFAOYSA-N 0 0 332.360 3.067 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193482915 266037336 /nfs/dbraw/zinc/03/73/36/266037336.db2.gz QQGLGIPBOOZRAQ-UHFFFAOYSA-N 0 0 345.380 3.439 10 5 EGBERN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000193637117 266049476 /nfs/dbraw/zinc/04/94/76/266049476.db2.gz KLTVYVYFAVHASU-SNVBAGLBSA-N 0 0 337.763 3.439 10 5 EGBERN CCOC(=O)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000193838993 266067518 /nfs/dbraw/zinc/06/75/18/266067518.db2.gz GOJWZLAYPJPJKL-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271355220 266646484 /nfs/dbraw/zinc/64/64/84/266646484.db2.gz FNTZUYDJNOHIRE-CYBMUJFWSA-N 0 0 342.399 3.332 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CCCC1 ZINC000273312056 267018292 /nfs/dbraw/zinc/01/82/92/267018292.db2.gz IEYLGVVIXAYOEN-WYMLVPIESA-N 0 0 332.400 3.057 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273487381 267047678 /nfs/dbraw/zinc/04/76/78/267047678.db2.gz LOBSIAOMWJLMBF-WILPJHFFSA-N 0 0 348.384 3.114 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000273582669 267062482 /nfs/dbraw/zinc/06/24/82/267062482.db2.gz IMLGVEADXLFJPW-UHFFFAOYSA-N 0 0 327.340 3.362 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000273957713 267151059 /nfs/dbraw/zinc/15/10/59/267151059.db2.gz FNGXULJEWRQROZ-TZMCWYRMSA-N 0 0 338.791 3.340 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000276601264 267583934 /nfs/dbraw/zinc/58/39/34/267583934.db2.gz RCKMIUABNWFZMG-ZJUUUORDSA-N 0 0 347.293 3.309 10 5 EGBERN COc1cc(C)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C ZINC000278213132 267964994 /nfs/dbraw/zinc/96/49/94/267964994.db2.gz TVQXMQPRDXQTOR-UHFFFAOYSA-N 0 0 332.360 3.319 10 5 EGBERN CCn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000195498515 273780063 /nfs/dbraw/zinc/78/00/63/273780063.db2.gz YQWXXEGCQGXADE-UHFFFAOYSA-N 0 0 345.359 3.103 10 5 EGBERN CCCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000048997410 275147780 /nfs/dbraw/zinc/14/77/80/275147780.db2.gz OHXAEKFNQROEGQ-UHFFFAOYSA-N 0 0 343.383 3.407 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110258299 275180224 /nfs/dbraw/zinc/18/02/24/275180224.db2.gz CDJHDYNEUIDHNT-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194836322 275227630 /nfs/dbraw/zinc/22/76/30/275227630.db2.gz MHENJRZKVBTPMI-SMDDNHRTSA-N 0 0 343.383 3.317 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c1[N+](=O)[O-] ZINC000194920177 275230330 /nfs/dbraw/zinc/23/03/30/275230330.db2.gz SMPPXRVFXCOXHH-ZDUSSCGKSA-N 0 0 347.396 3.346 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](c2ccsc2)O1 ZINC000277953261 275255306 /nfs/dbraw/zinc/25/53/06/275255306.db2.gz WFDGWHPLMAUGHU-ZUZCIYMTSA-N 0 0 344.396 3.499 10 5 EGBERN CC1(C)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000278734421 275269880 /nfs/dbraw/zinc/26/98/80/275269880.db2.gz LEPUOFMPZAMEER-LLVKDONJSA-N 0 0 343.177 3.253 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000279917439 275375549 /nfs/dbraw/zinc/37/55/49/275375549.db2.gz FSWHYGHQUKTNNU-SNVBAGLBSA-N 0 0 346.305 3.408 10 5 EGBERN CC(C)(C)c1ccc(NCc2nnnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000340608875 275536238 /nfs/dbraw/zinc/53/62/38/275536238.db2.gz VMFCEEMIRAFGQX-UHFFFAOYSA-N 0 0 332.408 3.246 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000283005793 275690435 /nfs/dbraw/zinc/69/04/35/275690435.db2.gz FYTRNNGIRBKQSV-CQSZACIVSA-N 0 0 334.397 3.045 10 5 EGBERN COc1ncc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1Cl ZINC000284195467 275781243 /nfs/dbraw/zinc/78/12/43/275781243.db2.gz MAXCSWAJLWUANG-UHFFFAOYSA-N 0 0 347.758 3.245 10 5 EGBERN CC1(C)CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000303931307 275811328 /nfs/dbraw/zinc/81/13/28/275811328.db2.gz VNFWOLPTVAJFOY-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1nnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1C1CC1 ZINC000285455071 275877964 /nfs/dbraw/zinc/87/79/64/275877964.db2.gz QLWJTRFZPZKXMJ-UHFFFAOYSA-N 0 0 335.751 3.044 10 5 EGBERN COc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000285586810 275892330 /nfs/dbraw/zinc/89/23/30/275892330.db2.gz DVRFKTLQNWGKQK-UHFFFAOYSA-N 0 0 326.352 3.423 10 5 EGBERN Cc1noc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000286424275 275998004 /nfs/dbraw/zinc/99/80/04/275998004.db2.gz NFZZDHOIXXXYEQ-JTQLQIEISA-N 0 0 336.373 3.024 10 5 EGBERN CCC[C@@]1(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000287572308 276134771 /nfs/dbraw/zinc/13/47/71/276134771.db2.gz KDSJNSIEYPVROQ-NVXWUHKLSA-N 0 0 335.404 3.304 10 5 EGBERN CC[C@H](NC(=O)c1cnc(COC)s1)c1cccc([N+](=O)[O-])c1 ZINC000287683095 276146979 /nfs/dbraw/zinc/14/69/79/276146979.db2.gz WIWAGGMBZJRRAF-LBPRGKRZSA-N 0 0 335.385 3.079 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000287718308 276150518 /nfs/dbraw/zinc/15/05/18/276150518.db2.gz FENCVKZXSGSHQG-SJCJKPOMSA-N 0 0 328.372 3.081 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1Cc1ccccc1OC ZINC000288187529 276189397 /nfs/dbraw/zinc/18/93/97/276189397.db2.gz ROQPJRFHLWAZBM-OAHLLOKOSA-N 0 0 344.415 3.340 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000288193993 276189919 /nfs/dbraw/zinc/18/99/19/276189919.db2.gz SBWVZNRXMGMVCA-UHFFFAOYSA-N 0 0 343.362 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1F ZINC000288577365 276230069 /nfs/dbraw/zinc/23/00/69/276230069.db2.gz BWRUDRWABGASPB-UHFFFAOYSA-N 0 0 330.315 3.107 10 5 EGBERN Cc1noc([C@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)n1 ZINC000291749165 276685640 /nfs/dbraw/zinc/68/56/40/276685640.db2.gz ZOIYMLWMYFGLPF-LBPRGKRZSA-N 0 0 339.355 3.218 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000291757394 276686754 /nfs/dbraw/zinc/68/67/54/276686754.db2.gz ZCXMJRJKCVIDSH-XJFGHQHYSA-N 0 0 344.411 3.414 10 5 EGBERN CCOC(=O)c1cc(N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000291802282 276693284 /nfs/dbraw/zinc/69/32/84/276693284.db2.gz DVDJGHYXKQSUCP-DZGCQCFKSA-N 0 0 340.326 3.253 10 5 EGBERN CCOC(=O)c1cnn(-c2cc(C)c([N+](=O)[O-])cc2F)c1C(F)F ZINC000292347909 276775398 /nfs/dbraw/zinc/77/53/98/276775398.db2.gz BSLLCKNBEVEMSH-UHFFFAOYSA-N 0 0 343.261 3.342 10 5 EGBERN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000292361026 276779001 /nfs/dbraw/zinc/77/90/01/276779001.db2.gz CQTDAQSWKMYLBF-MLGOLLRUSA-N 0 0 338.379 3.022 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292715141 276861283 /nfs/dbraw/zinc/86/12/83/276861283.db2.gz FLVPMQYHMDCCKO-OCCSQVGLSA-N 0 0 342.367 3.434 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266471860 277939675 /nfs/dbraw/zinc/93/96/75/277939675.db2.gz OBXHPRLNBWQHIV-NSHDSACASA-N 0 0 331.328 3.362 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ncccc1[N+](=O)[O-] ZINC000072202858 278387106 /nfs/dbraw/zinc/38/71/06/278387106.db2.gz JWFSZDVBSKUILN-GFCCVEGCSA-N 0 0 337.376 3.158 10 5 EGBERN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])n1 ZINC000009716831 278836624 /nfs/dbraw/zinc/83/66/24/278836624.db2.gz OQAXGAGSLWTDFC-UHFFFAOYSA-N 0 0 339.710 3.108 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189584863 278939413 /nfs/dbraw/zinc/93/94/13/278939413.db2.gz SVVCPQKMHURPRJ-CQSZACIVSA-N 0 0 330.315 3.296 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)ncn2C ZINC000122659793 279013018 /nfs/dbraw/zinc/01/30/18/279013018.db2.gz GKBUQPHVKJWBHA-LLVKDONJSA-N 0 0 336.351 3.073 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000360642885 279116755 /nfs/dbraw/zinc/11/67/55/279116755.db2.gz RLHRINOKZGFZAJ-ZDUSSCGKSA-N 0 0 331.397 3.476 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185334303 280037131 /nfs/dbraw/zinc/03/71/31/280037131.db2.gz HNEDVOLKNSXJQF-CYBMUJFWSA-N 0 0 348.742 3.316 10 5 EGBERN C[C@H]1N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC12CCOCC2 ZINC000348435502 280037350 /nfs/dbraw/zinc/03/73/50/280037350.db2.gz KGMQTLIIWSCATG-GFCCVEGCSA-N 0 0 344.367 3.372 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000361074788 280355168 /nfs/dbraw/zinc/35/51/68/280355168.db2.gz QSNUSNHLPIAXMT-OAHLLOKOSA-N 0 0 327.388 3.213 10 5 EGBERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000124559036 281421601 /nfs/dbraw/zinc/42/16/01/281421601.db2.gz NTYKERSLEADJQD-PWSUYJOCSA-N 0 0 332.360 3.087 10 5 EGBERN Cc1cn2c(n1)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000374657398 281544444 /nfs/dbraw/zinc/54/44/44/281544444.db2.gz DHQVOUQIUJUVLF-UHFFFAOYSA-N 0 0 342.399 3.053 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000361041936 288677389 /nfs/dbraw/zinc/67/73/89/288677389.db2.gz HJMJUXYUJQNSRI-GJZGRUSLSA-N 0 0 330.388 3.309 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(c1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373772694 297495209 /nfs/dbraw/zinc/49/52/09/297495209.db2.gz REKCPFMOIAYPSW-BFQNTYOBSA-N 0 0 340.807 3.411 10 5 EGBERN O=C1C[C@@]2(CN1)CCCN(c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000408103935 304647878 /nfs/dbraw/zinc/64/78/78/304647878.db2.gz OAHQDGAYJKMWGF-CQSZACIVSA-N 0 0 344.198 3.008 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000192853060 302705127 /nfs/dbraw/zinc/70/51/27/302705127.db2.gz QNYWYBNZGPREQE-QGZVFWFLSA-N 0 0 342.399 3.394 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccc(F)cc3)C2)c(Cl)c1 ZINC000413608135 309039394 /nfs/dbraw/zinc/03/93/94/309039394.db2.gz SMGHFYGJJRFGBE-LLVKDONJSA-N 0 0 336.754 3.473 10 5 EGBERN CC(C)COC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054322069 307337594 /nfs/dbraw/zinc/33/75/94/307337594.db2.gz QPCOOGOWEAOFKP-CQSZACIVSA-N 0 0 349.431 3.059 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000069581084 307375664 /nfs/dbraw/zinc/37/56/64/307375664.db2.gz YRBXDSUCWVMQOW-GFCCVEGCSA-N 0 0 349.412 3.314 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@H](OCC)C(C)C)cc1[N+](=O)[O-] ZINC000074288232 307392445 /nfs/dbraw/zinc/39/24/45/307392445.db2.gz VZYSHQAMJVCIAH-HNNXBMFYSA-N 0 0 338.404 3.175 10 5 EGBERN COc1ccc(F)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089230118 307447674 /nfs/dbraw/zinc/44/76/74/307447674.db2.gz ZMASBFMBVSWRJX-UHFFFAOYSA-N 0 0 333.319 3.107 10 5 EGBERN CC(=O)[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1(C)C ZINC000126192766 307565664 /nfs/dbraw/zinc/56/56/64/307565664.db2.gz ACVLNSHKTCWDQK-NZVBXONLSA-N 0 0 330.384 3.124 10 5 EGBERN CSc1ccc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000414149044 309063554 /nfs/dbraw/zinc/06/35/54/309063554.db2.gz NSFIMMYENHBLFW-ZDUSSCGKSA-N 0 0 349.408 3.444 10 5 EGBERN CCc1cccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000159912516 307881963 /nfs/dbraw/zinc/88/19/63/307881963.db2.gz MKOGWIFQAJHKKN-UHFFFAOYSA-N 0 0 328.368 3.025 10 5 EGBERN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]21 ZINC000248383790 308001412 /nfs/dbraw/zinc/00/14/12/308001412.db2.gz BLHFECSMEZAGDN-IFUGULHKSA-N 0 0 328.372 3.122 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000249164792 308020321 /nfs/dbraw/zinc/02/03/21/308020321.db2.gz JZNQITVPUYTGGI-LXZKKBNFSA-N 0 0 334.416 3.047 10 5 EGBERN Cc1nn(C)c(C)c1OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000292804533 308067794 /nfs/dbraw/zinc/06/77/94/308067794.db2.gz RNRHXMZAHDNGDD-UHFFFAOYSA-N 0 0 340.177 3.287 10 5 EGBERN C[C@@]12CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]1C2(F)F ZINC000292809253 308068010 /nfs/dbraw/zinc/06/80/10/308068010.db2.gz LJIILBFFDIMTNR-DZGCQCFKSA-N 0 0 336.294 3.458 10 5 EGBERN CCOC(=O)c1csc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000292817130 308068882 /nfs/dbraw/zinc/06/88/82/308068882.db2.gz CQWIBPOPIHQERY-CYBMUJFWSA-N 0 0 349.412 3.469 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCC[C@H]3OC)n2)c1 ZINC000293093144 308098933 /nfs/dbraw/zinc/09/89/33/308098933.db2.gz FFRVFIBQWVTECG-DZGCQCFKSA-N 0 0 347.371 3.250 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000293890147 308171483 /nfs/dbraw/zinc/17/14/83/308171483.db2.gz LFDVNHRVCFKYGD-UHFFFAOYSA-N 0 0 335.385 3.106 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000293957327 308177542 /nfs/dbraw/zinc/17/75/42/308177542.db2.gz FZIAQQFRVFXLTI-ZIAGYGMSSA-N 0 0 331.416 3.312 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000293957321 308177545 /nfs/dbraw/zinc/17/75/45/308177545.db2.gz FZIAQQFRVFXLTI-UONOGXRCSA-N 0 0 331.416 3.312 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(C2CC2)nc1 ZINC000294455608 308222182 /nfs/dbraw/zinc/22/21/82/308222182.db2.gz NNHLWZRPVJCTCQ-UHFFFAOYSA-N 0 0 346.774 3.188 10 5 EGBERN Cc1cccc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000295114123 308293150 /nfs/dbraw/zinc/29/31/50/308293150.db2.gz HYWVOEJOVOCDAW-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000295997685 308382987 /nfs/dbraw/zinc/38/29/87/308382987.db2.gz KMIDZHQKDDXGFE-UHFFFAOYSA-N 0 0 326.780 3.055 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ncccc1C ZINC000296677983 308455012 /nfs/dbraw/zinc/45/50/12/308455012.db2.gz IINWWSNAATWJDJ-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN Cc1cc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301079874 308687486 /nfs/dbraw/zinc/68/74/86/308687486.db2.gz DAZHTRXKNZJHRG-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN COc1cc(NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000301611406 308707287 /nfs/dbraw/zinc/70/72/87/308707287.db2.gz DQTAUHVDFZMSFB-UHFFFAOYSA-N 0 0 334.303 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000301672553 308710130 /nfs/dbraw/zinc/71/01/30/308710130.db2.gz FZNJFVAFORNMCN-CYBMUJFWSA-N 0 0 335.404 3.397 10 5 EGBERN CSc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301685234 308710957 /nfs/dbraw/zinc/71/09/57/308710957.db2.gz LHLDHSCITIWGON-UHFFFAOYSA-N 0 0 345.380 3.260 10 5 EGBERN Cc1ccc(SCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301933989 308722238 /nfs/dbraw/zinc/72/22/38/308722238.db2.gz QCBRRSMHCQUYEH-UHFFFAOYSA-N 0 0 329.385 3.150 10 5 EGBERN COc1cc(N2CCO[C@H](c3cccc(O)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000301935077 308722257 /nfs/dbraw/zinc/72/22/57/308722257.db2.gz RHWGHMNOBYFVQQ-KRWDZBQOSA-N 0 0 348.330 3.026 10 5 EGBERN CO[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(Cl)c1 ZINC000301958899 308723192 /nfs/dbraw/zinc/72/31/92/308723192.db2.gz GOQMBTFMOXZVHZ-LBPRGKRZSA-N 0 0 347.762 3.091 10 5 EGBERN COC(=O)c1cc(N2CCS[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301968883 308723433 /nfs/dbraw/zinc/72/34/33/308723433.db2.gz ZESNSJCYHUVKDC-HUUCEWRRSA-N 0 0 336.413 3.246 10 5 EGBERN C[C@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCc2ccccc21 ZINC000302013169 308725131 /nfs/dbraw/zinc/72/51/31/308725131.db2.gz ZVJAWMXHBOXURF-GOSISDBHSA-N 0 0 337.383 3.344 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc3ccccc3[nH]2)c1 ZINC000302113353 308729547 /nfs/dbraw/zinc/72/95/47/308729547.db2.gz VCYCTNMUAHSWNA-UHFFFAOYSA-N 0 0 325.324 3.475 10 5 EGBERN COc1cc(N(C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1F ZINC000302388451 308736617 /nfs/dbraw/zinc/73/66/17/308736617.db2.gz HYSBXFAPRPAMCA-UHFFFAOYSA-N 0 0 326.368 3.264 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302460513 308737574 /nfs/dbraw/zinc/73/75/74/308737574.db2.gz UOJIALVWFBKSMZ-UHFFFAOYSA-N 0 0 347.806 3.175 10 5 EGBERN C[C@](O)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCCC1 ZINC000302727583 308743344 /nfs/dbraw/zinc/74/33/44/308743344.db2.gz PWVBSGKJECCPSI-SFHVURJKSA-N 0 0 347.415 3.223 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cccc(OC)c2)c1 ZINC000326469013 308770907 /nfs/dbraw/zinc/77/09/07/308770907.db2.gz XLKRSCCWXPKBGA-UHFFFAOYSA-N 0 0 330.340 3.026 10 5 EGBERN CCOc1ccc(C(=O)N2CC(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000360013400 308894421 /nfs/dbraw/zinc/89/44/21/308894421.db2.gz GIHFQWRURBOYAD-UHFFFAOYSA-N 0 0 340.379 3.308 10 5 EGBERN Cc1cc(NC(=O)CC2CC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000410706232 308920312 /nfs/dbraw/zinc/92/03/12/308920312.db2.gz SUTXUDZFHPMLGC-UHFFFAOYSA-N 0 0 335.310 3.247 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC(C)(C)C(C)(C)C ZINC000411562180 308944211 /nfs/dbraw/zinc/94/42/11/308944211.db2.gz SADYMWTYGFIREO-UHFFFAOYSA-N 0 0 335.404 3.091 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412330904 308981272 /nfs/dbraw/zinc/98/12/72/308981272.db2.gz UXTSWJCEOFBADG-HKUYNNGSSA-N 0 0 342.370 3.481 10 5 EGBERN Cc1c(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000412941502 309009110 /nfs/dbraw/zinc/00/91/10/309009110.db2.gz KOXOUTPYGQRFTC-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416258376 309166244 /nfs/dbraw/zinc/16/62/44/309166244.db2.gz NOFVLAGGUZHURA-LBPRGKRZSA-N 0 0 335.310 3.048 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000416276079 309167200 /nfs/dbraw/zinc/16/72/00/309167200.db2.gz KYSDBGZQJZDXNO-AITUWYQGSA-N 0 0 338.429 3.130 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000416358249 309169900 /nfs/dbraw/zinc/16/99/00/309169900.db2.gz GDZWOCXATJQTFL-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CSCCCCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416463723 309171896 /nfs/dbraw/zinc/17/18/96/309171896.db2.gz DNJVRRAAYHQAHU-UHFFFAOYSA-N 0 0 346.474 3.023 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416591987 309174411 /nfs/dbraw/zinc/17/44/11/309174411.db2.gz ODEUZSCQXNYFMS-GUYCJALGSA-N 0 0 346.408 3.340 10 5 EGBERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416612051 309175177 /nfs/dbraw/zinc/17/51/77/309175177.db2.gz COMXQROENXFEPE-SECBINFHSA-N 0 0 332.809 3.057 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)C1 ZINC000420504890 309288656 /nfs/dbraw/zinc/28/86/56/309288656.db2.gz XZPNVEHPJMEHOA-WDEREUQCSA-N 0 0 331.328 3.010 10 5 EGBERN Cn1cc(Cl)c(CSCCOc2ccccc2[N+](=O)[O-])n1 ZINC000421207658 309316330 /nfs/dbraw/zinc/31/63/30/309316330.db2.gz KMZRQMZJYYSFPU-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@]34CCOC4)cs2)c1 ZINC000421399972 309323099 /nfs/dbraw/zinc/32/30/99/309323099.db2.gz JBHOOGSAKGXSAF-INIZCTEOSA-N 0 0 331.397 3.083 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1c(C)nn(C)c1C ZINC000421496852 309327123 /nfs/dbraw/zinc/32/71/23/309327123.db2.gz GLYLQNTZJNDHCN-HNNXBMFYSA-N 0 0 344.415 3.443 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000426726408 309513820 /nfs/dbraw/zinc/51/38/20/309513820.db2.gz JLEKNTSSQALLMC-MRXNPFEDSA-N 0 0 348.786 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)C(C)C)n1 ZINC000427179756 309524082 /nfs/dbraw/zinc/52/40/82/309524082.db2.gz VXWXRUIIZPRWHN-UHFFFAOYSA-N 0 0 334.351 3.001 10 5 EGBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cccn2)c1 ZINC000427987282 309539865 /nfs/dbraw/zinc/53/98/65/309539865.db2.gz AHYUAMSAJDXXRV-LBPRGKRZSA-N 0 0 348.366 3.252 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000428397744 309549863 /nfs/dbraw/zinc/54/98/63/309549863.db2.gz CVKITGPKMUYRTQ-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000430244583 309603220 /nfs/dbraw/zinc/60/32/20/309603220.db2.gz PQGWMDFTWKZTGL-LBPRGKRZSA-N 0 0 326.299 3.259 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000430540762 309610172 /nfs/dbraw/zinc/61/01/72/309610172.db2.gz HKMIRNFDJVXKOW-BFUOFWGJSA-N 0 0 340.379 3.332 10 5 EGBERN Cc1c(NC(=O)Cc2ccoc2)cc(Br)cc1[N+](=O)[O-] ZINC000431177135 309627347 /nfs/dbraw/zinc/62/73/47/309627347.db2.gz XBXIWMMOYRRIOL-UHFFFAOYSA-N 0 0 339.145 3.440 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000431267941 309628684 /nfs/dbraw/zinc/62/86/84/309628684.db2.gz AUBBCSGCCZVPGE-ROUUACIJSA-N 0 0 337.379 3.219 10 5 EGBERN CC(C)[C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431440998 309633059 /nfs/dbraw/zinc/63/30/59/309633059.db2.gz OCGZPTHLEZRLQL-SECBINFHSA-N 0 0 329.194 3.379 10 5 EGBERN CCc1ccc([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000431489615 309634168 /nfs/dbraw/zinc/63/41/68/309634168.db2.gz HYNNVKYUDUNWSJ-OAHLLOKOSA-N 0 0 337.383 3.194 10 5 EGBERN Cc1nc([C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C2CC2)no1 ZINC000455082223 310343658 /nfs/dbraw/zinc/34/36/58/310343658.db2.gz IWAUAMDVPMICNA-INIZCTEOSA-N 0 0 345.359 3.042 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c1C ZINC000432300778 309656738 /nfs/dbraw/zinc/65/67/38/309656738.db2.gz KCFILAZGORMIMP-LBPRGKRZSA-N 0 0 338.429 3.165 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432432911 309661102 /nfs/dbraw/zinc/66/11/02/309661102.db2.gz UHRRSUTYMRWKCI-SMDDNHRTSA-N 0 0 338.429 3.252 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)c1C ZINC000436187914 309749028 /nfs/dbraw/zinc/74/90/28/309749028.db2.gz ZQVVSISJDNBHML-JQWIXIFHSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1C ZINC000436190273 309749029 /nfs/dbraw/zinc/74/90/29/309749029.db2.gz WDPGUKVYDTXEEQ-GWCFXTLKSA-N 0 0 326.418 3.021 10 5 EGBERN COc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C ZINC000436405109 309754801 /nfs/dbraw/zinc/75/48/01/309754801.db2.gz GEBJEXJCQLBHAG-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000437304942 309789945 /nfs/dbraw/zinc/78/99/45/309789945.db2.gz LNTHBGISYKXQDA-JTQLQIEISA-N 0 0 346.836 3.366 10 5 EGBERN CC[C@@H]1C[C@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000438106786 309806790 /nfs/dbraw/zinc/80/67/90/309806790.db2.gz HDYZZPQQJPGMHK-UMVBOHGHSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000439129285 309827086 /nfs/dbraw/zinc/82/70/86/309827086.db2.gz IUHKVGLOXMYJAB-CYBMUJFWSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439498564 309834970 /nfs/dbraw/zinc/83/49/70/309834970.db2.gz ZDUUITYPOORVHK-CABCVRRESA-N 0 0 347.415 3.492 10 5 EGBERN Cc1cccc2nc(C3CCN(c4c([N+](=O)[O-])ncn4C)CC3)oc21 ZINC000443994748 309911324 /nfs/dbraw/zinc/91/13/24/309911324.db2.gz PFYYSFKHNXJIJB-UHFFFAOYSA-N 0 0 341.371 3.162 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445662311 309945132 /nfs/dbraw/zinc/94/51/32/309945132.db2.gz AAELHGODEKSDFK-BFHYXJOUSA-N 0 0 342.399 3.362 10 5 EGBERN COc1cc(CN[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000445777291 309947150 /nfs/dbraw/zinc/94/71/50/309947150.db2.gz XPLZUJSERVQNPK-KRWDZBQOSA-N 0 0 331.347 3.378 10 5 EGBERN CCc1cccc2c1OCC[C@@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447667219 309985483 /nfs/dbraw/zinc/98/54/83/309985483.db2.gz DAIKZGGQIYXDRF-AWEZNQCLSA-N 0 0 338.367 3.391 10 5 EGBERN Cc1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419473 310060431 /nfs/dbraw/zinc/06/04/31/310060431.db2.gz HNCNFMWJZHSEFT-HKUYNNGSSA-N 0 0 344.386 3.203 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000449996605 310098072 /nfs/dbraw/zinc/09/80/72/310098072.db2.gz AVBVGACZEVUQRU-WZRBSPASSA-N 0 0 346.330 3.367 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC2CCC1CC2 ZINC000450157264 310106348 /nfs/dbraw/zinc/10/63/48/310106348.db2.gz NINUGJPOTYIAEU-SEEARECTSA-N 0 0 330.384 3.253 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000450383947 310119510 /nfs/dbraw/zinc/11/95/10/310119510.db2.gz AISWYGJMODXPDR-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCC3(CCO)CCC3)n2)cc1 ZINC000450386634 310119586 /nfs/dbraw/zinc/11/95/86/310119586.db2.gz DYPDZMDUZKLKJX-UHFFFAOYSA-N 0 0 333.413 3.105 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCc3noc(C4CC4)n3)n2)cc1 ZINC000450413514 310121121 /nfs/dbraw/zinc/12/11/21/310121121.db2.gz UCNIAROMODCJEZ-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cn1 ZINC000450532164 310128535 /nfs/dbraw/zinc/12/85/35/310128535.db2.gz NPDJQTDZDNEPCV-CYBMUJFWSA-N 0 0 329.360 3.372 10 5 EGBERN CCOC(=O)c1sc(Sc2ccncc2[N+](=O)[O-])nc1C ZINC000450639518 310134483 /nfs/dbraw/zinc/13/44/83/310134483.db2.gz KYAQFJKYMLFYPY-UHFFFAOYSA-N 0 0 325.371 3.083 10 5 EGBERN CC[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450649915 310135044 /nfs/dbraw/zinc/13/50/44/310135044.db2.gz CIWCXZARQYITTN-DZGCQCFKSA-N 0 0 345.374 3.393 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@]3(CCOC3)C2)cc1OC(F)F ZINC000450873956 310147148 /nfs/dbraw/zinc/14/71/48/310147148.db2.gz CVDJQQLMQUTMIW-OAHLLOKOSA-N 0 0 328.315 3.203 10 5 EGBERN Cc1nn(C)cc1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000451746498 310195659 /nfs/dbraw/zinc/19/56/59/310195659.db2.gz CZIMVAOQFSIPMW-UHFFFAOYSA-N 0 0 330.388 3.115 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000451753393 310196020 /nfs/dbraw/zinc/19/60/20/310196020.db2.gz ZPUHKUVXWWXKKJ-UHFFFAOYSA-N 0 0 328.372 3.287 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@](C)(F)C1 ZINC000452198234 310218190 /nfs/dbraw/zinc/21/81/90/310218190.db2.gz UNCYJXCLHKCUSR-ZUZCIYMTSA-N 0 0 344.770 3.366 10 5 EGBERN O=C(NCCCC1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452207717 310218595 /nfs/dbraw/zinc/21/85/95/310218595.db2.gz IBFNEAGMBWUREK-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000452988254 310251937 /nfs/dbraw/zinc/25/19/37/310251937.db2.gz KPDBAMBGHYORNB-NSHDSACASA-N 0 0 326.805 3.351 10 5 EGBERN Cc1nn(C)cc1CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000453117143 310259142 /nfs/dbraw/zinc/25/91/42/310259142.db2.gz WUCRMMZCUGQVJE-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453232693 310265639 /nfs/dbraw/zinc/26/56/39/310265639.db2.gz HHNUGENUWAXEAM-MNOVXSKESA-N 0 0 344.371 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000454136953 310294152 /nfs/dbraw/zinc/29/41/52/310294152.db2.gz ATSAOYBMLQTNIZ-OAHLLOKOSA-N 0 0 333.388 3.326 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000454155660 310294932 /nfs/dbraw/zinc/29/49/32/310294932.db2.gz WMZUESXIHXJCDQ-CZUORRHYSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CCOC2)C1 ZINC000454218184 310297752 /nfs/dbraw/zinc/29/77/52/310297752.db2.gz PLVJLQOQTHCIHI-OAHLLOKOSA-N 0 0 339.779 3.283 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000454613591 310320124 /nfs/dbraw/zinc/32/01/24/310320124.db2.gz NMXDMGRELQIJRE-KSSFIOAISA-N 0 0 347.415 3.176 10 5 EGBERN CCC1(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)COC1 ZINC000455421873 310359814 /nfs/dbraw/zinc/35/98/14/310359814.db2.gz VCKLMDPNMLXJGS-UHFFFAOYSA-N 0 0 335.404 3.440 10 5 EGBERN C[C@@]12CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000456089362 310388071 /nfs/dbraw/zinc/38/80/71/310388071.db2.gz VRHKTIAWRSHHCK-GRINDBAHSA-N 0 0 348.349 3.086 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000456098118 310388513 /nfs/dbraw/zinc/38/85/13/310388513.db2.gz YJLWBAZMQJQKSE-SCZZXKLOSA-N 0 0 331.294 3.101 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2nccn21 ZINC000456156654 310390960 /nfs/dbraw/zinc/39/09/60/310390960.db2.gz DARUJRZWRUFFEC-HNNXBMFYSA-N 0 0 343.387 3.128 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456565755 310412667 /nfs/dbraw/zinc/41/26/67/310412667.db2.gz NQZLWYDHHONIGJ-HNNXBMFYSA-N 0 0 327.340 3.259 10 5 EGBERN CCc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000456604580 310414576 /nfs/dbraw/zinc/41/45/76/310414576.db2.gz XVSBFTFBYUOPLA-UHFFFAOYSA-N 0 0 346.387 3.008 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[C@H]1CCOC1 ZINC000456764463 310421600 /nfs/dbraw/zinc/42/16/00/310421600.db2.gz MBSUFJQSOKSAEX-NSHDSACASA-N 0 0 326.780 3.103 10 5 EGBERN O=C(NCC1(C2CCC2)CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457169135 310441485 /nfs/dbraw/zinc/44/14/85/310441485.db2.gz ABBJFLDMFMOHGS-UHFFFAOYSA-N 0 0 346.383 3.066 10 5 EGBERN COc1cc(C(=O)NCC2(C3CCC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000457179035 310441995 /nfs/dbraw/zinc/44/19/95/310441995.db2.gz JWWPUUYGWDBVPN-UHFFFAOYSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1ccc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1 ZINC000457179902 310442106 /nfs/dbraw/zinc/44/21/06/310442106.db2.gz NBJYOFGZVXWEOA-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000458703595 310516668 /nfs/dbraw/zinc/51/66/68/310516668.db2.gz HWZZMCXGLKIGLP-HAQNSBGRSA-N 0 0 345.403 3.239 10 5 EGBERN CCc1ncc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000459053243 310531927 /nfs/dbraw/zinc/53/19/27/310531927.db2.gz QSODAKFSTSOTRY-UHFFFAOYSA-N 0 0 344.371 3.019 10 5 EGBERN Cc1cc(NC(=O)c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462597493 310602277 /nfs/dbraw/zinc/60/22/77/310602277.db2.gz YMHSNIXXXGWCPT-UHFFFAOYSA-N 0 0 343.289 3.404 10 5 EGBERN CCOC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000462901470 310607411 /nfs/dbraw/zinc/60/74/11/310607411.db2.gz CUSOMQGEOIRSIA-CQSZACIVSA-N 0 0 332.331 3.493 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463840835 310615709 /nfs/dbraw/zinc/61/57/09/310615709.db2.gz KAMAZOVDKMUIJC-ORAYPTAESA-N 0 0 339.395 3.081 10 5 EGBERN COC(=O)c1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000466637868 310656193 /nfs/dbraw/zinc/65/61/93/310656193.db2.gz RBBNENMWWPXFKG-AEFFLSMTSA-N 0 0 348.399 3.307 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)Cc2ccncc2)cc(C)c1[N+](=O)[O-] ZINC000474790495 310799305 /nfs/dbraw/zinc/79/93/05/310799305.db2.gz MOTBSKZEHMKQGP-LBPRGKRZSA-N 0 0 329.356 3.128 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1C ZINC000477092381 310839648 /nfs/dbraw/zinc/83/96/48/310839648.db2.gz SNOBNKKFPOMDOA-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc(NC(=O)NC[C@](C)(O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000484345421 310964455 /nfs/dbraw/zinc/96/44/55/310964455.db2.gz ZWLXGCVLJAQFLX-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000486959740 311004222 /nfs/dbraw/zinc/00/42/22/311004222.db2.gz XUEINUOZXOGPKG-UHFFFAOYSA-N 0 0 332.809 3.201 10 5 EGBERN COc1cc(C)cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000487169495 311013418 /nfs/dbraw/zinc/01/34/18/311013418.db2.gz XSMLXZTUYSFWTJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(=O)Nc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000487904763 311042160 /nfs/dbraw/zinc/04/21/60/311042160.db2.gz CSUJCYDOQLISJO-UHFFFAOYSA-N 0 0 336.351 3.135 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(N2CCCC2)nc1 ZINC000487932364 311043582 /nfs/dbraw/zinc/04/35/82/311043582.db2.gz RQRSEOPOFCTEOR-UHFFFAOYSA-N 0 0 349.394 3.172 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cn2ncc3ccccc32)cc1[N+](=O)[O-] ZINC000488035585 311048680 /nfs/dbraw/zinc/04/86/80/311048680.db2.gz XCFHLNDJBXDLDQ-ZDUSSCGKSA-N 0 0 338.367 3.130 10 5 EGBERN COc1ccc(CN(C)c2c3ccccc3ncc2[N+](=O)[O-])cc1O ZINC000488096658 311051069 /nfs/dbraw/zinc/05/10/69/311051069.db2.gz FDEQPGRHSZXRBM-UHFFFAOYSA-N 0 0 339.351 3.494 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488302100 311059927 /nfs/dbraw/zinc/05/99/27/311059927.db2.gz RXCRKUCEFDVVKZ-UHFFFAOYSA-N 0 0 334.382 3.371 10 5 EGBERN O=C(CSc1ccc(C(F)(F)F)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000488784669 311080019 /nfs/dbraw/zinc/08/00/19/311080019.db2.gz QWFKRUCZNUHQNM-UHFFFAOYSA-N 0 0 343.286 3.379 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000488971047 311087402 /nfs/dbraw/zinc/08/74/02/311087402.db2.gz AJXNEWDEXQQVQS-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CC(C)(NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000490204335 311135711 /nfs/dbraw/zinc/13/57/11/311135711.db2.gz AQHMBCSHWJKBAP-GFCCVEGCSA-N 0 0 335.404 3.087 10 5 EGBERN COc1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492364327 311242200 /nfs/dbraw/zinc/24/22/00/311242200.db2.gz IRSSWQKDJGZEQM-SUIFULHWSA-N 0 0 326.352 3.494 10 5 EGBERN COc1ccc(N(C#N)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000502388388 311964079 /nfs/dbraw/zinc/96/40/79/311964079.db2.gz PFBIMLXAWSGWTL-UHFFFAOYSA-N 0 0 345.742 3.427 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(CCC)[nH][nH]1 ZINC000506335919 312047559 /nfs/dbraw/zinc/04/75/59/312047559.db2.gz AWBDQZZFHZWCRQ-UHFFFAOYSA-N 0 0 348.428 3.447 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)C2)C1 ZINC000508958506 312106411 /nfs/dbraw/zinc/10/64/11/312106411.db2.gz AHUVUEBMNPLMPZ-ACJLOTCBSA-N 0 0 341.415 3.407 10 5 EGBERN CN(CCC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509694970 312123611 /nfs/dbraw/zinc/12/36/11/312123611.db2.gz VYRFVCDOCLBMJV-UHFFFAOYSA-N 0 0 332.447 3.247 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512766887 312194594 /nfs/dbraw/zinc/19/45/94/312194594.db2.gz LMQRLXKCRGBSEZ-LLVKDONJSA-N 0 0 340.426 3.346 10 5 EGBERN CCCC[C@@H](COC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514181639 312226928 /nfs/dbraw/zinc/22/69/28/312226928.db2.gz BWUJZLQGSMSXLP-NSHDSACASA-N 0 0 346.330 3.131 10 5 EGBERN CO[C@@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(F)(F)F ZINC000516565698 312330144 /nfs/dbraw/zinc/33/01/44/312330144.db2.gz JNHSMAUXFPNAKT-LBPRGKRZSA-N 0 0 333.310 3.248 10 5 EGBERN O=C(NCCOCC1CCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000522050753 312572093 /nfs/dbraw/zinc/57/20/93/312572093.db2.gz INPPPYZEKYGPSJ-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000525686855 312741383 /nfs/dbraw/zinc/74/13/83/312741383.db2.gz YULMKVLGJSLIOK-NSHDSACASA-N 0 0 331.372 3.289 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000526082081 312790584 /nfs/dbraw/zinc/79/05/84/312790584.db2.gz GHRGIKZAXTZNOG-HNNXBMFYSA-N 0 0 343.383 3.454 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000531754047 313709669 /nfs/dbraw/zinc/70/96/69/313709669.db2.gz RZZWKWPSLOHQOL-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN O=C(NCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000531885157 313725945 /nfs/dbraw/zinc/72/59/45/313725945.db2.gz CXXLSDURFCYVHN-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531887276 313726262 /nfs/dbraw/zinc/72/62/62/313726262.db2.gz YRYFSVFYDKZCLC-LBPRGKRZSA-N 0 0 331.294 3.231 10 5 EGBERN CCCCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532133920 313758829 /nfs/dbraw/zinc/75/88/29/313758829.db2.gz HOIQVUXHAUYKGC-UHFFFAOYSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Br)c3)no2)nc1 ZINC000532138865 313759821 /nfs/dbraw/zinc/75/98/21/313759821.db2.gz LMDQBGJKSSACPF-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000532396053 313794205 /nfs/dbraw/zinc/79/42/05/313794205.db2.gz QSIBWQMLKCNTOZ-HUUCEWRRSA-N 0 0 335.404 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000535120855 314027862 /nfs/dbraw/zinc/02/78/62/314027862.db2.gz NSZVXZQWEZOHNR-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N(CC(F)F)CC1CCC1 ZINC000536378934 314110210 /nfs/dbraw/zinc/11/02/10/314110210.db2.gz OPDRWZDFALXNIW-UHFFFAOYSA-N 0 0 341.358 3.214 10 5 EGBERN O=C(NC/C=C\c1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000539787837 314337943 /nfs/dbraw/zinc/33/79/43/314337943.db2.gz XVIRHCRNNIXWQO-UITAMQMPSA-N 0 0 325.368 3.150 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541035185 314430439 /nfs/dbraw/zinc/43/04/39/314430439.db2.gz PJFQNWCUJVHVJP-KSSFIOAISA-N 0 0 331.416 3.359 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541616281 314474767 /nfs/dbraw/zinc/47/47/67/314474767.db2.gz QIBGEVRJSAWRLV-QGZVFWFLSA-N 0 0 347.415 3.086 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000544658966 314709551 /nfs/dbraw/zinc/70/95/51/314709551.db2.gz YDYBTKAJIFYWGL-HZPDHXFCSA-N 0 0 348.443 3.128 10 5 EGBERN Cc1ccncc1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000545923778 314792734 /nfs/dbraw/zinc/79/27/34/314792734.db2.gz WPNYZRTVQJOYSL-UHFFFAOYSA-N 0 0 337.282 3.176 10 5 EGBERN CC[C@@H](C)Oc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccn1 ZINC000547193743 314879901 /nfs/dbraw/zinc/87/99/01/314879901.db2.gz JVAOCCMFQFFCOQ-SNVBAGLBSA-N 0 0 341.327 3.279 10 5 EGBERN COc1cccc(N2C[C@@H](Nc3cccc(C)c3[N+](=O)[O-])CC2=O)c1 ZINC000549122321 315076890 /nfs/dbraw/zinc/07/68/90/315076890.db2.gz VQDOHGOGENOPNM-ZDUSSCGKSA-N 0 0 341.367 3.129 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)C[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000553052047 315242806 /nfs/dbraw/zinc/24/28/06/315242806.db2.gz GBXZNSBJAGCJAS-LBPRGKRZSA-N 0 0 343.383 3.325 10 5 EGBERN CC(C)(CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000554666833 315341764 /nfs/dbraw/zinc/34/17/64/315341764.db2.gz DDFZXOTYMSMFFQ-UHFFFAOYSA-N 0 0 326.343 3.358 10 5 EGBERN Cc1cc(COc2c(C)cc(Br)cc2[N+](=O)[O-])ncn1 ZINC000555545443 315389184 /nfs/dbraw/zinc/38/91/84/315389184.db2.gz GYPYYCSBBPLAEH-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN CC(C)(NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000556557162 315441920 /nfs/dbraw/zinc/44/19/20/315441920.db2.gz QQVAPAXIERXVIN-HNNXBMFYSA-N 0 0 340.379 3.382 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000562390074 315827231 /nfs/dbraw/zinc/82/72/31/315827231.db2.gz XEUPCSKQTFIUDK-DOPJRALCSA-N 0 0 340.379 3.140 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000563862308 316080906 /nfs/dbraw/zinc/08/09/06/316080906.db2.gz DMWZJQHSPGAWAE-SFHVURJKSA-N 0 0 344.342 3.071 10 5 EGBERN COC(=O)c1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)oc1C ZINC000564564422 316167600 /nfs/dbraw/zinc/16/76/00/316167600.db2.gz PMDAMERCPQZMLR-UHFFFAOYSA-N 0 0 345.355 3.169 10 5 EGBERN Cc1ncc([N+](=O)[O-])c(OCCOCCOc2ccccc2)c1C ZINC000564739323 316197696 /nfs/dbraw/zinc/19/76/96/316197696.db2.gz FXPDCQPFTADDGX-UHFFFAOYSA-N 0 0 332.356 3.081 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000566262591 316444792 /nfs/dbraw/zinc/44/47/92/316444792.db2.gz QKOIGPJYYRQJPO-UHFFFAOYSA-N 0 0 336.800 3.437 10 5 EGBERN C[C@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000567297444 316596791 /nfs/dbraw/zinc/59/67/91/316596791.db2.gz IUXUPAWBNCLPEE-BLLLJJGKSA-N 0 0 346.408 3.360 10 5 EGBERN Cc1ccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1C ZINC000568882220 316836194 /nfs/dbraw/zinc/83/61/94/316836194.db2.gz UKSWALFUQYTNGA-UHFFFAOYSA-N 0 0 340.379 3.135 10 5 EGBERN CC1(C)CC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570074257 317004277 /nfs/dbraw/zinc/00/42/77/317004277.db2.gz VYJRZRQJEWLBRC-OAHLLOKOSA-N 0 0 330.388 3.106 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCC(C(F)F)CC1 ZINC000570494630 317063355 /nfs/dbraw/zinc/06/33/55/317063355.db2.gz LRXJVQBHHZSLOO-UHFFFAOYSA-N 0 0 327.331 3.218 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1cc2ccccc2n(C)c1=O ZINC000570584559 317077649 /nfs/dbraw/zinc/07/76/49/317077649.db2.gz YDMVTTKCIYGPTM-UHFFFAOYSA-N 0 0 340.335 3.034 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000570844964 317115938 /nfs/dbraw/zinc/11/59/38/317115938.db2.gz FZQXRBDKAXPPJW-UONOGXRCSA-N 0 0 342.399 3.304 10 5 EGBERN C[C@H](C(=O)N1CCOCC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000573064526 317430912 /nfs/dbraw/zinc/43/09/12/317430912.db2.gz IUUOUGMOLFAOSV-AWEZNQCLSA-N 0 0 332.400 3.260 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000573596134 317507514 /nfs/dbraw/zinc/50/75/14/317507514.db2.gz OJVUPBYKIXNUCL-UHFFFAOYSA-N 0 0 343.358 3.020 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCCO2 ZINC000171388061 323232265 /nfs/dbraw/zinc/23/22/65/323232265.db2.gz WXYVHMKIXWPSBC-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2ccccc2n1 ZINC000171446641 323235333 /nfs/dbraw/zinc/23/53/33/323235333.db2.gz KUARAABIPCYHQT-LLVKDONJSA-N 0 0 334.335 3.129 10 5 EGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nn1C(C)(C)C ZINC000171445843 323235563 /nfs/dbraw/zinc/23/55/63/323235563.db2.gz DYDZYFYILJQUGK-NSHDSACASA-N 0 0 342.399 3.446 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000171866702 323256302 /nfs/dbraw/zinc/25/63/02/323256302.db2.gz QCDWIRSZTNFSAA-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CCc1ccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1CC ZINC000180756827 323453999 /nfs/dbraw/zinc/45/39/99/323453999.db2.gz NTSQAYOKWYQXGU-UHFFFAOYSA-N 0 0 330.388 3.253 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182150739 323528442 /nfs/dbraw/zinc/52/84/42/323528442.db2.gz DXBMSXVUPYABQQ-SNVBAGLBSA-N 0 0 346.314 3.263 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182928435 323583427 /nfs/dbraw/zinc/58/34/27/323583427.db2.gz NIAFBULVCLZCJP-SJCJKPOMSA-N 0 0 340.395 3.141 10 5 EGBERN Cc1csc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184050 323646256 /nfs/dbraw/zinc/64/62/56/323646256.db2.gz ZBLHPYWKNXROJK-QWRGUYRKSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000185991328 323719718 /nfs/dbraw/zinc/71/97/18/323719718.db2.gz OANLTKSDYHLFCW-SECBINFHSA-N 0 0 330.369 3.066 10 5 EGBERN CCOc1ccc(-c2nc([C@@H]3CCOC[C@H]3C)no2)cc1[N+](=O)[O-] ZINC000350605035 324104798 /nfs/dbraw/zinc/10/47/98/324104798.db2.gz XOZWDPQZGAZOIL-ZYHUDNBSSA-N 0 0 333.344 3.184 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3Cc4ccccc4S3)n2)n1C ZINC000350919929 324139170 /nfs/dbraw/zinc/13/91/70/324139170.db2.gz BNQXBVWNMFNZAH-NSHDSACASA-N 0 0 343.368 3.076 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000351105632 324171695 /nfs/dbraw/zinc/17/16/95/324171695.db2.gz NSHBFHYMUJRSBE-YPMHNXCESA-N 0 0 345.355 3.076 10 5 EGBERN C[C@H](F)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000378860732 324239115 /nfs/dbraw/zinc/23/91/15/324239115.db2.gz PMERYMMMHAGUBB-ZETCQYMHSA-N 0 0 338.120 3.359 10 5 EGBERN COC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576759439 324677196 /nfs/dbraw/zinc/67/71/96/324677196.db2.gz HOKNBQNXAPFTBJ-CXAGYDPISA-N 0 0 328.368 3.202 10 5 EGBERN CNC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578066741 324913033 /nfs/dbraw/zinc/91/30/33/324913033.db2.gz DIYHDURDEFRMIF-CQSZACIVSA-N 0 0 345.374 3.059 10 5 EGBERN COc1cc(CN2CCC=C(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000579021972 325051748 /nfs/dbraw/zinc/05/17/48/325051748.db2.gz MKMKPQXXGOUGAJ-UHFFFAOYSA-N 0 0 325.368 3.288 10 5 EGBERN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000579185711 325072681 /nfs/dbraw/zinc/07/26/81/325072681.db2.gz GJOIPFSQWSXZJC-LBPRGKRZSA-N 0 0 343.236 3.162 10 5 EGBERN Cc1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000579741429 325153683 /nfs/dbraw/zinc/15/36/83/325153683.db2.gz FFHUKTNYLNXWMJ-UHFFFAOYSA-N 0 0 339.145 3.440 10 5 EGBERN Cn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000579791788 325158295 /nfs/dbraw/zinc/15/82/95/325158295.db2.gz ACRDCOOAVNUSMR-UHFFFAOYSA-N 0 0 327.315 3.156 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc(C3CCC3)cn2)cc1[N+](=O)[O-] ZINC000579873963 325170211 /nfs/dbraw/zinc/17/02/11/325170211.db2.gz VKVFGROFOSABOX-UHFFFAOYSA-N 0 0 341.367 3.447 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(C3(C)CCCC3)on2)cc1[N+](=O)[O-] ZINC000580154702 325209595 /nfs/dbraw/zinc/20/95/95/325209595.db2.gz YHJRVMLHFCPXAS-UHFFFAOYSA-N 0 0 344.371 3.130 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCc1ccc(F)c(F)c1)CCCC2 ZINC000580550580 325266296 /nfs/dbraw/zinc/26/62/96/325266296.db2.gz KQOFIDAZIBBICS-UHFFFAOYSA-N 0 0 334.322 3.156 10 5 EGBERN CC1(C)CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580807603 325296517 /nfs/dbraw/zinc/29/65/17/325296517.db2.gz JITROJWCROPBIM-UHFFFAOYSA-N 0 0 330.388 3.203 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581827424 325391689 /nfs/dbraw/zinc/39/16/89/325391689.db2.gz QUAXAPOTLFNIJA-UHFFFAOYSA-N 0 0 333.344 3.459 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189597701 455221686 /nfs/dbraw/zinc/22/16/86/455221686.db2.gz FFRDYQILISSXDC-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189653819 455227825 /nfs/dbraw/zinc/22/78/25/455227825.db2.gz IEVHKGUDUPVUQC-GDBMZVCRSA-N 0 0 334.416 3.237 10 5 EGBERN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000173092354 455231274 /nfs/dbraw/zinc/23/12/74/455231274.db2.gz NOQYAMICMNVYDL-LLVKDONJSA-N 0 0 349.337 3.187 10 5 EGBERN CCN(Cc1ccccn1)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000189695009 455232523 /nfs/dbraw/zinc/23/25/23/455232523.db2.gz UHTSQPAEUDLFLH-UHFFFAOYSA-N 0 0 329.356 3.111 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438959574 458634154 /nfs/dbraw/zinc/63/41/54/458634154.db2.gz OEHWWCOOHRSCBM-SNVBAGLBSA-N 0 0 342.779 3.018 10 5 EGBERN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000242324383 455270501 /nfs/dbraw/zinc/27/05/01/455270501.db2.gz ZAVXCAOAXQEOFK-IUODEOHRSA-N 0 0 349.774 3.016 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccccc2CCOC)cc1[N+](=O)[O-] ZINC000190004308 455270820 /nfs/dbraw/zinc/27/08/20/455270820.db2.gz GALGVCBXOBBPJD-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN Cc1ccc(CSc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 ZINC000000093651 452506903 /nfs/dbraw/zinc/50/69/03/452506903.db2.gz ZMLQNXWWYZZVJB-UHFFFAOYSA-N 0 0 328.349 3.079 10 5 EGBERN O=C(CN1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002660606 452713145 /nfs/dbraw/zinc/71/31/45/452713145.db2.gz MCMNZVLKEIZEIP-UHFFFAOYSA-N 0 0 331.759 3.249 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000173689418 455327300 /nfs/dbraw/zinc/32/73/00/455327300.db2.gz VMGMXAKKEKRVCA-CYBMUJFWSA-N 0 0 348.355 3.012 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000005693731 452895371 /nfs/dbraw/zinc/89/53/71/452895371.db2.gz UEMZQYPXPBQDQR-CYBMUJFWSA-N 0 0 328.324 3.049 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@@H]2CC=CCC2)C1=O ZINC000600704075 460574252 /nfs/dbraw/zinc/57/42/52/460574252.db2.gz XRZOSSHOZLMLII-FZKQIMNGSA-N 0 0 343.383 3.108 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000007949715 453138988 /nfs/dbraw/zinc/13/89/88/453138988.db2.gz VYMOHPGNSPNWBK-SJKOYZFVSA-N 0 0 326.352 3.118 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000007949707 453139412 /nfs/dbraw/zinc/13/94/12/453139412.db2.gz VYMOHPGNSPNWBK-SJCJKPOMSA-N 0 0 326.352 3.118 10 5 EGBERN CC(=O)c1ccc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000007983777 453143517 /nfs/dbraw/zinc/14/35/17/453143517.db2.gz SELFOTSITJWFTB-UHFFFAOYSA-N 0 0 343.358 3.263 10 5 EGBERN CN(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008059511 453156400 /nfs/dbraw/zinc/15/64/00/453156400.db2.gz NIPGITFROXKIKY-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000008943612 453236580 /nfs/dbraw/zinc/23/65/80/453236580.db2.gz HJZCKNCTCQFFCT-CQSZACIVSA-N 0 0 335.747 3.103 10 5 EGBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC2(CC2)CC1 ZINC000600770429 460595992 /nfs/dbraw/zinc/59/59/92/460595992.db2.gz ZBOFEIOFYZNPFN-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN COC(=O)c1cc(-c2cnn(CCC(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000600788503 460605411 /nfs/dbraw/zinc/60/54/11/460605411.db2.gz NKDSIQHLSZMPSI-UHFFFAOYSA-N 0 0 343.261 3.197 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015612208 453580339 /nfs/dbraw/zinc/58/03/39/453580339.db2.gz KLNSSAQSNWFEAV-HNNXBMFYSA-N 0 0 349.726 3.166 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000600807098 460610897 /nfs/dbraw/zinc/61/08/97/460610897.db2.gz UTLFDTGPLRKHNY-ZZKXABKFSA-N 0 0 332.356 3.142 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000600809990 460612740 /nfs/dbraw/zinc/61/27/40/460612740.db2.gz PMUVKCIECSLRKJ-VQTKUKTRSA-N 0 0 332.400 3.351 10 5 EGBERN C[C@@H]1CCC2=C(C1)S[C@H]1N=C(c3ccc([N+](=O)[O-])cc3)NC(=O)[C@H]21 ZINC000023466531 453711639 /nfs/dbraw/zinc/71/16/39/453711639.db2.gz TVRAEWKKMVAULM-PWVDTXNTSA-N 0 0 343.408 3.234 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000023699544 453715866 /nfs/dbraw/zinc/71/58/66/453715866.db2.gz NBBWUKUKZLXNFV-CQSZACIVSA-N 0 0 327.384 3.184 10 5 EGBERN CNc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000024314549 453730787 /nfs/dbraw/zinc/73/07/87/453730787.db2.gz SFKNKNJWOZSOHE-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN CCc1nc(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190674865 455364552 /nfs/dbraw/zinc/36/45/52/455364552.db2.gz CRMUVUNUVXIYOF-UHFFFAOYSA-N 0 0 349.822 3.308 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccccc1Cl ZINC000052633422 453840043 /nfs/dbraw/zinc/84/00/43/453840043.db2.gz GJVYYOVVDOHRPA-UHFFFAOYSA-N 0 0 349.774 3.103 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)nn(C)c1C ZINC000081261195 453853742 /nfs/dbraw/zinc/85/37/42/453853742.db2.gz XLEIVVVOPJLLGI-LLVKDONJSA-N 0 0 336.417 3.196 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067059158 453898142 /nfs/dbraw/zinc/89/81/42/453898142.db2.gz VNJXVLQHKZNZML-AEFFLSMTSA-N 0 0 348.362 3.066 10 5 EGBERN O=C(CSc1ccc2c(c1)CCC2)NCc1cccc([N+](=O)[O-])c1 ZINC000067071104 453899885 /nfs/dbraw/zinc/89/98/85/453899885.db2.gz VRLHSJQPBITLPI-UHFFFAOYSA-N 0 0 342.420 3.492 10 5 EGBERN CCNc1ccc(C(=O)NCCc2ncc(CC)s2)cc1[N+](=O)[O-] ZINC000075584891 453908466 /nfs/dbraw/zinc/90/84/66/453908466.db2.gz FJWQVWLBEIPGNL-UHFFFAOYSA-N 0 0 348.428 3.018 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067502393 453936058 /nfs/dbraw/zinc/93/60/58/453936058.db2.gz AQXKWCYSTUNGBO-GDBMZVCRSA-N 0 0 325.368 3.313 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000040069849 453946877 /nfs/dbraw/zinc/94/68/77/453946877.db2.gz BDAWVJZOWLJSRD-LBPRGKRZSA-N 0 0 343.383 3.478 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000067866236 453974509 /nfs/dbraw/zinc/97/45/09/453974509.db2.gz UFWFJAOQGZGQQT-SNVBAGLBSA-N 0 0 337.426 3.329 10 5 EGBERN CC(C)(C)c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1 ZINC000041702641 453976106 /nfs/dbraw/zinc/97/61/06/453976106.db2.gz QWLIXOXFTKNMAT-UHFFFAOYSA-N 0 0 344.396 3.107 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055466626 453987499 /nfs/dbraw/zinc/98/74/99/453987499.db2.gz KXEXFCFHSDMZCB-OLZOCXBDSA-N 0 0 344.367 3.248 10 5 EGBERN COCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000055572087 453996042 /nfs/dbraw/zinc/99/60/42/453996042.db2.gz KIUTVPLOHSXIMF-UHFFFAOYSA-N 0 0 336.369 3.242 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000084776452 454010241 /nfs/dbraw/zinc/01/02/41/454010241.db2.gz UJQSNLJOKXOBNG-LBPRGKRZSA-N 0 0 339.355 3.156 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)CCNC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000084808691 454011005 /nfs/dbraw/zinc/01/10/05/454011005.db2.gz IFSDATLKCLUECW-LBPRGKRZSA-N 0 0 336.388 3.060 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000084810934 454011877 /nfs/dbraw/zinc/01/18/77/454011877.db2.gz VWXOXQHIWZFDAF-AWEZNQCLSA-N 0 0 344.371 3.084 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000085478479 454031686 /nfs/dbraw/zinc/03/16/86/454031686.db2.gz IAGLHPATQZAVLO-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN CCc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000056042108 454034666 /nfs/dbraw/zinc/03/46/66/454034666.db2.gz HGVAAXBVMCRAIO-UHFFFAOYSA-N 0 0 340.426 3.039 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nccn1CC(C)C ZINC000085635909 454035984 /nfs/dbraw/zinc/03/59/84/454035984.db2.gz UUQQYOHBDYKXDD-UHFFFAOYSA-N 0 0 345.403 3.386 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000068987740 454070718 /nfs/dbraw/zinc/07/07/18/454070718.db2.gz MOWSUMZGLKFWCN-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN C[C@H](CC[C@H]1CCCO1)NC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000069415821 454102737 /nfs/dbraw/zinc/10/27/37/454102737.db2.gz FSAGSSRDFNASKU-CZUORRHYSA-N 0 0 349.431 3.249 10 5 EGBERN Cc1sc(C(=O)NCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000044739436 454117112 /nfs/dbraw/zinc/11/71/12/454117112.db2.gz BNSNDDYKJJNGCK-UHFFFAOYSA-N 0 0 335.385 3.077 10 5 EGBERN Cc1sc(C(=O)NCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000045140539 454141214 /nfs/dbraw/zinc/14/12/14/454141214.db2.gz TYULBSYQICQRDH-UHFFFAOYSA-N 0 0 326.418 3.434 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000045240557 454147585 /nfs/dbraw/zinc/14/75/85/454147585.db2.gz LUIQQHWLJAJSGB-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057837171 454151436 /nfs/dbraw/zinc/15/14/36/454151436.db2.gz XRJCMWFHGVQCMN-INIZCTEOSA-N 0 0 344.754 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000077982716 454173688 /nfs/dbraw/zinc/17/36/88/454173688.db2.gz QYVGBKUBRKYNLL-UHFFFAOYSA-N 0 0 326.268 3.481 10 5 EGBERN Cc1cc(NCCc2ccccn2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095352982 454195899 /nfs/dbraw/zinc/19/58/99/454195899.db2.gz IURNEWXTXGSRKO-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000089835850 454213513 /nfs/dbraw/zinc/21/35/13/454213513.db2.gz GVDAOTDDHOJNIU-KGLIPLIRSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2ccccc21 ZINC000058968947 454249166 /nfs/dbraw/zinc/24/91/66/454249166.db2.gz VGDFVDFYPHDBMO-MRXNPFEDSA-N 0 0 341.367 3.037 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000131786485 454285636 /nfs/dbraw/zinc/28/56/36/454285636.db2.gz KXUDDDRPKHOGQG-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090222800 454295679 /nfs/dbraw/zinc/29/56/79/454295679.db2.gz ZHJJOICWJCKGKP-INIZCTEOSA-N 0 0 334.397 3.333 10 5 EGBERN CC[C@H](NC(=O)Cc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090467389 454310060 /nfs/dbraw/zinc/31/00/60/454310060.db2.gz KNGHKWDZUIHRFL-INIZCTEOSA-N 0 0 328.368 3.413 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nnc4n3CCC4)CC2)c(Cl)c1 ZINC000047253316 454346723 /nfs/dbraw/zinc/34/67/23/454346723.db2.gz JQAHWODTAPVPTF-UHFFFAOYSA-N 0 0 347.806 3.170 10 5 EGBERN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000079297208 454393466 /nfs/dbraw/zinc/39/34/66/454393466.db2.gz NOQYAMICMNVYDL-NSHDSACASA-N 0 0 349.337 3.187 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2ccsc2)C1 ZINC000121124540 454395376 /nfs/dbraw/zinc/39/53/76/454395376.db2.gz IYEHIXIUQDABJG-CQSZACIVSA-N 0 0 336.344 3.009 10 5 EGBERN COc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097232110 454427685 /nfs/dbraw/zinc/42/76/85/454427685.db2.gz NXCCCRMZGXBCRZ-LBPRGKRZSA-N 0 0 343.383 3.478 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCc3c2cccc3O)cc(C)c1[N+](=O)[O-] ZINC000091484994 454442433 /nfs/dbraw/zinc/44/24/33/454442433.db2.gz WKNHQQGUBLJNGW-OAHLLOKOSA-N 0 0 342.351 3.495 10 5 EGBERN CC(C)c1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc(=O)[nH]1 ZINC000121529467 454447261 /nfs/dbraw/zinc/44/72/61/454447261.db2.gz CTNRHUOCUYIBDL-UHFFFAOYSA-N 0 0 341.367 3.412 10 5 EGBERN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1Br ZINC000133715079 454458912 /nfs/dbraw/zinc/45/89/12/454458912.db2.gz ZGYPXRSXTRJFSH-UHFFFAOYSA-N 0 0 326.150 3.153 10 5 EGBERN COc1ccccc1COC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000091689784 454459487 /nfs/dbraw/zinc/45/94/87/454459487.db2.gz RSGWYJBQWBRBIL-UHFFFAOYSA-N 0 0 343.383 3.184 10 5 EGBERN Cc1c(F)cc(C(=O)Nc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000048287670 454468069 /nfs/dbraw/zinc/46/80/69/454468069.db2.gz PUZTYGSSGJWRAI-UHFFFAOYSA-N 0 0 344.346 3.290 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCC1CC1 ZINC000133833453 454472625 /nfs/dbraw/zinc/47/26/25/454472625.db2.gz ZSMVPLSSALPSSK-UHFFFAOYSA-N 0 0 327.340 3.339 10 5 EGBERN CCCn1nccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079779559 454477742 /nfs/dbraw/zinc/47/77/42/454477742.db2.gz NSAFIMCOMAZBFM-UHFFFAOYSA-N 0 0 331.376 3.258 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)Cc3ccccc3[N+](=O)[O-])c21 ZINC000103129870 454539049 /nfs/dbraw/zinc/53/90/49/454539049.db2.gz XTQMJMSGJZHGDV-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(F)c1 ZINC000103377008 454551956 /nfs/dbraw/zinc/55/19/56/454551956.db2.gz NRHFBNWCIVKRLH-SNVBAGLBSA-N 0 0 330.315 3.334 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC000065530578 454585517 /nfs/dbraw/zinc/58/55/17/454585517.db2.gz OMGJQKBSIGGFBB-GFCCVEGCSA-N 0 0 338.367 3.233 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc3c(c2)CCC(=O)N3)c1 ZINC000092584739 454589906 /nfs/dbraw/zinc/58/99/06/454589906.db2.gz JGLRMEUQWGJIRX-UHFFFAOYSA-N 0 0 332.287 3.420 10 5 EGBERN CC(C)(C)OCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050629916 454593135 /nfs/dbraw/zinc/59/31/35/454593135.db2.gz HRHAHOSEGOCCLL-UHFFFAOYSA-N 0 0 349.412 3.263 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000074660651 454614906 /nfs/dbraw/zinc/61/49/06/454614906.db2.gz RRPFFCMOMKWESO-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000080976618 454664870 /nfs/dbraw/zinc/66/48/70/454664870.db2.gz ZPLTUMWTXLUHIP-CYBMUJFWSA-N 0 0 342.399 3.028 10 5 EGBERN Cn1c(COc2cc(F)cc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000135362665 454669401 /nfs/dbraw/zinc/66/94/01/454669401.db2.gz BNQCAICKQVBEOS-UHFFFAOYSA-N 0 0 328.303 3.108 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000106600548 454704987 /nfs/dbraw/zinc/70/49/87/454704987.db2.gz XCEALCRQZWRUSL-CABCVRRESA-N 0 0 342.351 3.354 10 5 EGBERN COCCC[C@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161857883 454729721 /nfs/dbraw/zinc/72/97/21/454729721.db2.gz BLQDFAOBYDGLMG-NSHDSACASA-N 0 0 331.372 3.453 10 5 EGBERN COC(=O)c1ccc(OCc2nc(C3CCCC3)no2)c([N+](=O)[O-])c1 ZINC000162322668 454767255 /nfs/dbraw/zinc/76/72/55/454767255.db2.gz CBHWNTRFFRWHIC-UHFFFAOYSA-N 0 0 347.327 3.001 10 5 EGBERN O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1F ZINC000153303480 454780296 /nfs/dbraw/zinc/78/02/96/454780296.db2.gz MLKJAVUCXCATLQ-UHFFFAOYSA-N 0 0 343.358 3.337 10 5 EGBERN CCOC(=O)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC1 ZINC000142185270 454834827 /nfs/dbraw/zinc/83/48/27/454834827.db2.gz VCCHQHJSAKMIOK-UHFFFAOYSA-N 0 0 329.356 3.288 10 5 EGBERN O=[N+]([O-])c1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1Cl ZINC000154044277 454860538 /nfs/dbraw/zinc/86/05/38/454860538.db2.gz ASQBBYROEGFMAC-CQSZACIVSA-N 0 0 333.775 3.297 10 5 EGBERN COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccc1F ZINC000154355778 454888038 /nfs/dbraw/zinc/88/80/38/454888038.db2.gz ILJHQHKTALXSTQ-JTQLQIEISA-N 0 0 330.315 3.334 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000150842607 454900378 /nfs/dbraw/zinc/90/03/78/454900378.db2.gz RSNXIEIRDHDZFJ-GOSISDBHSA-N 0 0 345.399 3.493 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000165799540 454904427 /nfs/dbraw/zinc/90/44/27/454904427.db2.gz HDPOZFUTYSPQRD-OAHLLOKOSA-N 0 0 331.328 3.102 10 5 EGBERN CC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000177795551 454907042 /nfs/dbraw/zinc/90/70/42/454907042.db2.gz NPEKOSYECWMQAX-CQSZACIVSA-N 0 0 328.372 3.078 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000150942489 454915955 /nfs/dbraw/zinc/91/59/55/454915955.db2.gz BSTAKFPVZWJZHM-UHFFFAOYSA-N 0 0 331.353 3.102 10 5 EGBERN CCc1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1 ZINC000113206367 454917012 /nfs/dbraw/zinc/91/70/12/454917012.db2.gz ZJLCWUAOZMSOAF-JTQLQIEISA-N 0 0 335.385 3.227 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000191623173 455505042 /nfs/dbraw/zinc/50/50/42/455505042.db2.gz YBVRMYDZSUEDJE-MRVPVSSYSA-N 0 0 340.742 3.095 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(C)cs1 ZINC000151291855 454963543 /nfs/dbraw/zinc/96/35/43/454963543.db2.gz JWVFVQXEPQCOHY-OAHLLOKOSA-N 0 0 334.401 3.118 10 5 EGBERN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115230630 455006766 /nfs/dbraw/zinc/00/67/66/455006766.db2.gz PXVQKPTWJYPZLO-CQSZACIVSA-N 0 0 343.383 3.368 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000171009750 455014060 /nfs/dbraw/zinc/01/40/60/455014060.db2.gz ZUOQDBYKXXGWNQ-UHFFFAOYSA-N 0 0 345.403 3.278 10 5 EGBERN CCS[C@@H](C)c1noc(CN(C)Cc2csc([N+](=O)[O-])c2)n1 ZINC000128003806 455016903 /nfs/dbraw/zinc/01/69/03/455016903.db2.gz BWWOVGYIFPDTQT-VIFPVBQESA-N 0 0 342.446 3.485 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000151816191 455034408 /nfs/dbraw/zinc/03/44/08/455034408.db2.gz ILVZSKLHEDMMJD-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151866816 455042436 /nfs/dbraw/zinc/04/24/36/455042436.db2.gz FRJBNXHUIHHDAU-CQSZACIVSA-N 0 0 348.424 3.426 10 5 EGBERN C[C@H](C[C@H]1CCOC1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612553566 460658679 /nfs/dbraw/zinc/65/86/79/460658679.db2.gz DMYLHBQAHZYLEK-NXEZZACHSA-N 0 0 346.305 3.159 10 5 EGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000171364027 455065121 /nfs/dbraw/zinc/06/51/21/455065121.db2.gz HQOGRBVOZDVECV-LLVKDONJSA-N 0 0 335.795 3.390 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc(Br)c1 ZINC000155967367 455067769 /nfs/dbraw/zinc/06/77/69/455067769.db2.gz CKLXJEDWZOKPLQ-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152217730 455088413 /nfs/dbraw/zinc/08/84/13/455088413.db2.gz ZLDNMQUSPNGSHU-LLVKDONJSA-N 0 0 339.351 3.143 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000117632932 455089672 /nfs/dbraw/zinc/08/96/72/455089672.db2.gz XCYKOEOYPPZEOP-AWEZNQCLSA-N 0 0 326.352 3.167 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156743468 455147857 /nfs/dbraw/zinc/14/78/57/455147857.db2.gz KDIMGEMPQZVQIE-JLZZUVOBSA-N 0 0 327.384 3.393 10 5 EGBERN COc1ccc(CSCC(=O)NC[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000172445604 455154541 /nfs/dbraw/zinc/15/45/41/455154541.db2.gz BGVODEKHTOCQCM-GFCCVEGCSA-N 0 0 340.445 3.245 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc2ccccc2c1 ZINC000180494817 455181788 /nfs/dbraw/zinc/18/17/88/455181788.db2.gz RYIAVGWNZHKFKB-NSHDSACASA-N 0 0 336.351 3.216 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879967 455202686 /nfs/dbraw/zinc/20/26/86/455202686.db2.gz OALGHQWHXZNGJU-VXGBXAGGSA-N 0 0 347.371 3.183 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCOCc1ccccc1 ZINC000172916592 455210087 /nfs/dbraw/zinc/21/00/87/455210087.db2.gz DVTARTIDQRTTRS-UHFFFAOYSA-N 0 0 342.395 3.251 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(CC2)c2ccccc21 ZINC000173493895 455294100 /nfs/dbraw/zinc/29/41/00/455294100.db2.gz GDAQPYQZUULEBT-UHFFFAOYSA-N 0 0 337.379 3.394 10 5 EGBERN COC(=O)C1CCC(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181250829 455307393 /nfs/dbraw/zinc/30/73/93/455307393.db2.gz QZWQYHDQKJQEQF-HSBZDZAISA-N 0 0 349.383 3.487 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000190418567 455312451 /nfs/dbraw/zinc/31/24/51/455312451.db2.gz DCWSLZBQIZRDDS-NOZJJQNGSA-N 0 0 327.768 3.137 10 5 EGBERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000181412050 455330880 /nfs/dbraw/zinc/33/08/80/455330880.db2.gz MGRFSNGBFMLVIK-UHFFFAOYSA-N 0 0 345.403 3.008 10 5 EGBERN Cc1ccc2c(c1)nc(CNC(=O)c1ccc([N+](=O)[O-])cc1C)n2C ZINC000184860381 455462997 /nfs/dbraw/zinc/46/29/97/455462997.db2.gz CGTQQSQPYMRAGQ-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN Cc1cc2c(cc1C)[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000184901904 455469680 /nfs/dbraw/zinc/46/96/80/455469680.db2.gz HWMQJFZEUXXSQK-MRXNPFEDSA-N 0 0 326.352 3.351 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccc3C)CC2)n1 ZINC000191603357 455503044 /nfs/dbraw/zinc/50/30/44/455503044.db2.gz KFZAWBLWSDVSLN-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)n1 ZINC000191850974 455525810 /nfs/dbraw/zinc/52/58/10/455525810.db2.gz CRJBLPUFNSTTOY-OAHLLOKOSA-N 0 0 342.399 3.405 10 5 EGBERN COc1cccc(Cl)c1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000191888310 455528838 /nfs/dbraw/zinc/52/88/38/455528838.db2.gz MUMPYEIPLJJAKR-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000185284749 455534174 /nfs/dbraw/zinc/53/41/74/455534174.db2.gz KOLHUILVTRPERM-RHSMWYFYSA-N 0 0 340.379 3.413 10 5 EGBERN CCc1cc(C)c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000161163999 455542167 /nfs/dbraw/zinc/54/21/67/455542167.db2.gz DKJSQQXODXCGFV-UHFFFAOYSA-N 0 0 332.312 3.098 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000185442681 455559294 /nfs/dbraw/zinc/55/92/94/455559294.db2.gz UQSMKTUJTXDKFP-NRMKIYEFSA-N 0 0 330.384 3.026 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601023799 460679239 /nfs/dbraw/zinc/67/92/39/460679239.db2.gz FCKLVMKIUJVSDZ-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN Cc1cc(OCc2nnc(-c3ccccc3)n2C)c(F)cc1[N+](=O)[O-] ZINC000185649801 455589929 /nfs/dbraw/zinc/58/99/29/455589929.db2.gz QJKYEUJVABYFLG-UHFFFAOYSA-N 0 0 342.330 3.417 10 5 EGBERN O=C1N[C@H](c2ccc(Cl)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000192402892 455607792 /nfs/dbraw/zinc/60/77/92/455607792.db2.gz JPPCDTFRCPEBTH-CYBMUJFWSA-N 0 0 331.715 3.046 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000192455372 455620863 /nfs/dbraw/zinc/62/08/63/455620863.db2.gz YYLJGOWHPUIAMN-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000185785149 455621946 /nfs/dbraw/zinc/62/19/46/455621946.db2.gz IKHOVSAMDYQJCR-BMIGLBTASA-N 0 0 345.330 3.058 10 5 EGBERN CC(C)N1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277673959 455630638 /nfs/dbraw/zinc/63/06/38/455630638.db2.gz DWZOPKIWFMLLLJ-UHFFFAOYSA-N 0 0 349.434 3.260 10 5 EGBERN COC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccc(C)o1 ZINC000268457462 455687396 /nfs/dbraw/zinc/68/73/96/455687396.db2.gz CTOYWSMSSDIWMB-CQSZACIVSA-N 0 0 348.355 3.391 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000248257041 455701359 /nfs/dbraw/zinc/70/13/59/455701359.db2.gz OWDRUITZQVQLHO-SECBINFHSA-N 0 0 336.369 3.165 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186151403 455704085 /nfs/dbraw/zinc/70/40/85/455704085.db2.gz IAOJVJRBDPPXPX-HOCLYGCPSA-N 0 0 348.424 3.015 10 5 EGBERN COc1cc(N[C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000269076215 455782848 /nfs/dbraw/zinc/78/28/48/455782848.db2.gz BWEKUVPPJAYTKC-ZUZCIYMTSA-N 0 0 342.392 3.209 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3ccccc3[N+](=O)[O-])cn(C)c2c1 ZINC000186557286 455792423 /nfs/dbraw/zinc/79/24/23/455792423.db2.gz NPOCRUNWSLYZHT-UHFFFAOYSA-N 0 0 337.379 3.367 10 5 EGBERN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C[C@H](C)O ZINC000278279074 455805583 /nfs/dbraw/zinc/80/55/83/455805583.db2.gz YXJMSECRENCRHZ-OLZOCXBDSA-N 0 0 338.407 3.230 10 5 EGBERN COC(=O)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000285363946 455831419 /nfs/dbraw/zinc/83/14/19/455831419.db2.gz AKBYVKDFWNRSBM-UHFFFAOYSA-N 0 0 343.383 3.187 10 5 EGBERN Cc1c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[nH]c2c1C(=O)CCC2 ZINC000272082271 455841614 /nfs/dbraw/zinc/84/16/14/455841614.db2.gz HOFPJGWSASFOJF-LLVKDONJSA-N 0 0 341.367 3.241 10 5 EGBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1 ZINC000195111628 455922484 /nfs/dbraw/zinc/92/24/84/455922484.db2.gz CXKGSEJFWAIIJH-QGZVFWFLSA-N 0 0 343.383 3.434 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195197357 455932330 /nfs/dbraw/zinc/93/23/30/455932330.db2.gz PFBUIRGTALUREK-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H](C)C(=O)OC(C)(C)C)no1 ZINC000280748216 456044407 /nfs/dbraw/zinc/04/44/07/456044407.db2.gz DPQSLOUTXAJPNO-SNVBAGLBSA-N 0 0 333.344 3.398 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cncc(F)c2)CC1 ZINC000270839058 456050609 /nfs/dbraw/zinc/05/06/09/456050609.db2.gz DTWZAGSAHJVMKR-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[N+](=O)[O-] ZINC000188379066 456053003 /nfs/dbraw/zinc/05/30/03/456053003.db2.gz XRVQHIANLIWGBO-UHFFFAOYSA-N 0 0 336.323 3.059 10 5 EGBERN Cc1cc(NC[C@@H](O)C2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301300020 456084361 /nfs/dbraw/zinc/08/43/61/456084361.db2.gz UMGOAIPISIQQRZ-MRXNPFEDSA-N 0 0 342.399 3.323 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000188636473 456101127 /nfs/dbraw/zinc/10/11/27/456101127.db2.gz RLZCOYWBCRDSGE-HUUCEWRRSA-N 0 0 335.404 3.303 10 5 EGBERN C[C@@H]1CN(Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000301382390 456104811 /nfs/dbraw/zinc/10/48/11/456104811.db2.gz SUMGYAKWNSDTOI-ZIAGYGMSSA-N 0 0 342.399 3.343 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000188670488 456108968 /nfs/dbraw/zinc/10/89/68/456108968.db2.gz HMMWKARRMXXQOD-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301428301 456113539 /nfs/dbraw/zinc/11/35/39/456113539.db2.gz PPEDKWBMIMAYNP-RYUDHWBXSA-N 0 0 334.347 3.313 10 5 EGBERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301435177 456114621 /nfs/dbraw/zinc/11/46/21/456114621.db2.gz KCNIAZMBSGOMRN-RISCZKNCSA-N 0 0 328.372 3.160 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)c2cccs2)c1 ZINC000301486181 456128572 /nfs/dbraw/zinc/12/85/72/456128572.db2.gz XIRNTLPJBQIHAH-AWEZNQCLSA-N 0 0 326.349 3.124 10 5 EGBERN Cc1csc([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601111717 460715167 /nfs/dbraw/zinc/71/51/67/460715167.db2.gz YUJJNSQCIIJKEM-LURJTMIESA-N 0 0 335.311 3.285 10 5 EGBERN COc1cc(NC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1F ZINC000301611975 456162366 /nfs/dbraw/zinc/16/23/66/456162366.db2.gz FFIIHTYARCKGBW-AWEZNQCLSA-N 0 0 326.349 3.124 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1ccccn1 ZINC000289879052 456165260 /nfs/dbraw/zinc/16/52/60/456165260.db2.gz SFKZRDCUTYZZGW-UHFFFAOYSA-N 0 0 328.372 3.307 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189009621 456199252 /nfs/dbraw/zinc/19/92/52/456199252.db2.gz GCKRVEHSQDSWHM-UHFFFAOYSA-N 0 0 336.779 3.367 10 5 EGBERN CCSc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000189041128 456209785 /nfs/dbraw/zinc/20/97/85/456209785.db2.gz KLZWABBFNHEAGT-UHFFFAOYSA-N 0 0 337.426 3.402 10 5 EGBERN CO[C@H]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301794327 456215817 /nfs/dbraw/zinc/21/58/17/456215817.db2.gz SMHYKQJLLPTMKO-ZJUUUORDSA-N 0 0 330.182 3.122 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000301820681 456224040 /nfs/dbraw/zinc/22/40/40/456224040.db2.gz BDCLTISXVCHYIY-CYBMUJFWSA-N 0 0 336.355 3.116 10 5 EGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1F ZINC000301990754 456265014 /nfs/dbraw/zinc/26/50/14/456265014.db2.gz MJGLHJYOSMLZLT-SECBINFHSA-N 0 0 333.298 3.131 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC(OCC2CCCC2)CC1 ZINC000302035599 456273249 /nfs/dbraw/zinc/27/32/49/456273249.db2.gz LRTOGWJBRRDDPF-UHFFFAOYSA-N 0 0 334.416 3.263 10 5 EGBERN Cn1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1C1CCC1 ZINC000302051894 456276396 /nfs/dbraw/zinc/27/63/96/456276396.db2.gz OJHAZPKISWTJJZ-UHFFFAOYSA-N 0 0 325.781 3.190 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302062781 456277997 /nfs/dbraw/zinc/27/79/97/456277997.db2.gz SMGGVQUHRNSFLP-UHFFFAOYSA-N 0 0 333.413 3.059 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-c3nnco3)c2)c1 ZINC000302081096 456281198 /nfs/dbraw/zinc/28/11/98/456281198.db2.gz IZXAJVIDXWZCGU-UHFFFAOYSA-N 0 0 341.279 3.224 10 5 EGBERN CCn1c(Sc2ncc([N+](=O)[O-])cn2)nnc1-c1ccccc1C ZINC000302144841 456299162 /nfs/dbraw/zinc/29/91/62/456299162.db2.gz HAGZJXYOLHKANB-UHFFFAOYSA-N 0 0 342.384 3.123 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000352782441 456301494 /nfs/dbraw/zinc/30/14/94/456301494.db2.gz DVFNMKKAZKSPFF-UHFFFAOYSA-N 0 0 346.358 3.309 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000342907696 456305741 /nfs/dbraw/zinc/30/57/41/456305741.db2.gz QKPYMHUIMJUGHJ-VIFPVBQESA-N 0 0 330.369 3.332 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000302178155 456308329 /nfs/dbraw/zinc/30/83/29/456308329.db2.gz XGDDNQQQAWTNMY-CYBMUJFWSA-N 0 0 335.335 3.134 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H](C)c2nccs2)c1 ZINC000302182110 456309220 /nfs/dbraw/zinc/30/92/20/456309220.db2.gz SAIBVJZARRRRRZ-VIFPVBQESA-N 0 0 325.365 3.439 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000281864152 456343348 /nfs/dbraw/zinc/34/33/48/456343348.db2.gz NAZJEDZCRCBJAN-LTZCYQRMSA-N 0 0 339.823 3.409 10 5 EGBERN C[C@@H](CN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601142270 460729206 /nfs/dbraw/zinc/72/92/06/460729206.db2.gz PLCMCUZOBLTXDU-ZETCQYMHSA-N 0 0 349.338 3.044 10 5 EGBERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302610541 456364308 /nfs/dbraw/zinc/36/43/08/456364308.db2.gz BLWPIHYRXXRGFQ-VXGBXAGGSA-N 0 0 326.418 3.379 10 5 EGBERN CC(C)(C)c1ncc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148475 460730312 /nfs/dbraw/zinc/73/03/12/460730312.db2.gz CHDUZYKURMYWDC-QGZVFWFLSA-N 0 0 349.456 3.346 10 5 EGBERN CC1(C)CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302668395 456370550 /nfs/dbraw/zinc/37/05/50/456370550.db2.gz QPLBAEJRAZMHRG-UHFFFAOYSA-N 0 0 326.418 3.379 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347824121 456387141 /nfs/dbraw/zinc/38/71/41/456387141.db2.gz IACPLNDFFDOLAV-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN CC[C@H](NC(=O)c1cccc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC000347829960 456390073 /nfs/dbraw/zinc/39/00/73/456390073.db2.gz PCQGRNVXSBIBDH-HNNXBMFYSA-N 0 0 336.351 3.419 10 5 EGBERN COC(=O)c1cnc(NC[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000302749508 456390863 /nfs/dbraw/zinc/39/08/63/456390863.db2.gz GRESUNXFQGDULU-GFCCVEGCSA-N 0 0 329.356 3.300 10 5 EGBERN COC(=O)c1cnc(N[C@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000302750846 456391453 /nfs/dbraw/zinc/39/14/53/456391453.db2.gz HBYJOPVXBKFEEW-SKDRFNHKSA-N 0 0 349.293 3.023 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000340346215 456404822 /nfs/dbraw/zinc/40/48/22/456404822.db2.gz MSIONCMATLXOEB-LLVKDONJSA-N 0 0 331.376 3.354 10 5 EGBERN Cc1ccc(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000298268942 456410896 /nfs/dbraw/zinc/41/08/96/456410896.db2.gz GFEUICWEMPPAJW-UHFFFAOYSA-N 0 0 328.328 3.178 10 5 EGBERN O=C(NCCNc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000302823485 456411373 /nfs/dbraw/zinc/41/13/73/456411373.db2.gz UYCPXIVXTSWPDB-UHFFFAOYSA-N 0 0 337.738 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](COCC2CC2)C1 ZINC000302836249 456414128 /nfs/dbraw/zinc/41/41/28/456414128.db2.gz WJRJCWGBSXTOGJ-AWEZNQCLSA-N 0 0 340.807 3.188 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000276599555 456527051 /nfs/dbraw/zinc/52/70/51/456527051.db2.gz RCKMIUABNWFZMG-UWVGGRQHSA-N 0 0 347.293 3.309 10 5 EGBERN COC(=O)c1cc(NCc2ncc(C3CC3)o2)c(C)c([N+](=O)[O-])c1 ZINC000276779330 456578319 /nfs/dbraw/zinc/57/83/19/456578319.db2.gz DCTOVFYZQANJKS-UHFFFAOYSA-N 0 0 331.328 3.167 10 5 EGBERN Cn1cc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c(C2CC2)n1 ZINC000291283975 456590531 /nfs/dbraw/zinc/59/05/31/456590531.db2.gz OWSNGZKOWSNYES-UHFFFAOYSA-N 0 0 338.314 3.419 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c[nH]1 ZINC000353422914 456691240 /nfs/dbraw/zinc/69/12/40/456691240.db2.gz PZBQDSZELZDRHO-UHFFFAOYSA-N 0 0 345.355 3.259 10 5 EGBERN CC1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000338202540 456701979 /nfs/dbraw/zinc/70/19/79/456701979.db2.gz KMKDFPXHHBCKQP-UHFFFAOYSA-N 0 0 326.352 3.266 10 5 EGBERN C[C@@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000277301420 456768251 /nfs/dbraw/zinc/76/82/51/456768251.db2.gz RWNQQDDQIHCUNY-MRXNPFEDSA-N 0 0 339.367 3.187 10 5 EGBERN Cc1c(CC(=O)N2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000277365360 456796561 /nfs/dbraw/zinc/79/65/61/456796561.db2.gz HITMSGQVTTXIBE-NSHDSACASA-N 0 0 330.306 3.247 10 5 EGBERN CS(=O)(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000301101598 456796913 /nfs/dbraw/zinc/79/69/13/456796913.db2.gz OGSXALHDESUPQO-UHFFFAOYSA-N 0 0 340.788 3.264 10 5 EGBERN COc1cc(NCc2nccc(C(F)F)n2)c([N+](=O)[O-])cc1F ZINC000340985239 456798980 /nfs/dbraw/zinc/79/89/80/456798980.db2.gz SDSZPCGBGDMRJP-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615120 456804265 /nfs/dbraw/zinc/80/42/65/456804265.db2.gz YAMOPHYVZGVDPQ-CHWSQXEVSA-N 0 0 348.403 3.186 10 5 EGBERN CC[C@H](NC(=O)NC(CC)(CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000283714871 456829025 /nfs/dbraw/zinc/82/90/25/456829025.db2.gz UMRRSABOSYVCNA-HNNXBMFYSA-N 0 0 337.420 3.286 10 5 EGBERN C[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000341330403 456851250 /nfs/dbraw/zinc/85/12/50/456851250.db2.gz XHFOEWUEZJRNCQ-NSHDSACASA-N 0 0 342.326 3.387 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292169873 456875450 /nfs/dbraw/zinc/87/54/50/456875450.db2.gz FWYMXCAMPQPQEJ-HQJQHLMTSA-N 0 0 333.171 3.056 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000341737933 456922553 /nfs/dbraw/zinc/92/25/53/456922553.db2.gz OHTCAWJVMXKRMK-UHFFFAOYSA-N 0 0 344.396 3.312 10 5 EGBERN CO[C@@H](C)c1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000339137805 456959162 /nfs/dbraw/zinc/95/91/62/456959162.db2.gz WDHWNPVMLPVJLL-NSHDSACASA-N 0 0 329.356 3.013 10 5 EGBERN CC1(C)CC[C@H]2C[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])c3cccc1c32 ZINC000345638022 456985626 /nfs/dbraw/zinc/98/56/26/456985626.db2.gz XMHJGHOKIZDVFU-GXFFZTMASA-N 0 0 340.383 3.348 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1c1cccc(F)c1 ZINC000349606322 456994520 /nfs/dbraw/zinc/99/45/20/456994520.db2.gz AXVMIMQNMBXRET-MEDUHNTESA-N 0 0 331.347 3.296 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000358877836 457019245 /nfs/dbraw/zinc/01/92/45/457019245.db2.gz RTQZGCHYHXGCLF-UHFFFAOYSA-N 0 0 342.323 3.496 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000349797946 457055099 /nfs/dbraw/zinc/05/50/99/457055099.db2.gz CXCFNZZPEMPDQK-SECBINFHSA-N 0 0 337.738 3.202 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(CCOC)C1 ZINC000356566700 457059191 /nfs/dbraw/zinc/05/91/91/457059191.db2.gz QVQMCLHIEMXOST-OAHLLOKOSA-N 0 0 334.416 3.049 10 5 EGBERN O=[N+]([O-])c1c(NCCc2cnc(C3CC3)nc2)ccc2ncccc21 ZINC000339355492 457065647 /nfs/dbraw/zinc/06/56/47/457065647.db2.gz FYRMQZBILRFHLS-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN COc1nn(C)cc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000356684587 457118717 /nfs/dbraw/zinc/11/87/17/457118717.db2.gz WQEADIDAIMUKJW-UHFFFAOYSA-N 0 0 332.363 3.382 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cncnc1 ZINC000356731288 457140339 /nfs/dbraw/zinc/14/03/39/457140339.db2.gz IIKZCOZMVHVONP-LLVKDONJSA-N 0 0 328.372 3.425 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000354265349 457162759 /nfs/dbraw/zinc/16/27/59/457162759.db2.gz OICRWKWBGGTNAA-CQSZACIVSA-N 0 0 348.424 3.417 10 5 EGBERN Cc1c(C(=O)N[C@H](c2nccs2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000356869158 457188141 /nfs/dbraw/zinc/18/81/41/457188141.db2.gz MUGQEDFXPUBVLH-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN CC[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000360009982 457201138 /nfs/dbraw/zinc/20/11/38/457201138.db2.gz KIQAFMDBGCODCO-GFCCVEGCSA-N 0 0 333.344 3.341 10 5 EGBERN O=c1cc[nH]c2cc(CNc3ncc([N+](=O)[O-])cc3Cl)ccc12 ZINC000347119388 457239395 /nfs/dbraw/zinc/23/93/95/457239395.db2.gz ZAMSAHOEEWPWQA-UHFFFAOYSA-N 0 0 330.731 3.097 10 5 EGBERN COc1ncc(CSCCOc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000356958547 457244060 /nfs/dbraw/zinc/24/40/60/457244060.db2.gz MQQFTPIGZSPMAE-UHFFFAOYSA-N 0 0 335.385 3.014 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1CC1CCC1 ZINC000339772261 457260518 /nfs/dbraw/zinc/26/05/18/457260518.db2.gz RAEVTYZBRVBBPG-QGZVFWFLSA-N 0 0 334.416 3.385 10 5 EGBERN Cc1c(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000347174148 457271287 /nfs/dbraw/zinc/27/12/87/457271287.db2.gz WBUGNNMCPSKYRN-UHFFFAOYSA-N 0 0 345.403 3.256 10 5 EGBERN CC(C)(O)C1CCC(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000351427640 457286661 /nfs/dbraw/zinc/28/66/61/457286661.db2.gz LRJGRHGOYLAQPY-UHFFFAOYSA-N 0 0 346.387 3.008 10 5 EGBERN CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000347225749 457297976 /nfs/dbraw/zinc/29/79/76/457297976.db2.gz UDKHKLQUDQUTKK-UHFFFAOYSA-N 0 0 328.166 3.374 10 5 EGBERN C[C@@H]1Cc2ccccc2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342442868 457306437 /nfs/dbraw/zinc/30/64/37/457306437.db2.gz MHZDSIWORSCCDO-LLVKDONJSA-N 0 0 346.333 3.389 10 5 EGBERN Cc1cc(OCc2nc([C@H]3CCOC[C@@H]3C)no2)ccc1[N+](=O)[O-] ZINC000347262710 457319346 /nfs/dbraw/zinc/31/93/46/457319346.db2.gz LFQFOLGNJDUTQK-AAEUAGOBSA-N 0 0 333.344 3.005 10 5 EGBERN Cc1nc(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000347271418 457322436 /nfs/dbraw/zinc/32/24/36/457322436.db2.gz VZOQLQODADLGGF-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000360732338 457328529 /nfs/dbraw/zinc/32/85/29/457328529.db2.gz KMUJMGHODAUHKY-AWEZNQCLSA-N 0 0 346.387 3.043 10 5 EGBERN O=C(CC[C@H]1CCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347290101 457333307 /nfs/dbraw/zinc/33/33/07/457333307.db2.gz MCBHYFBFBNSOAV-GFCCVEGCSA-N 0 0 343.177 3.255 10 5 EGBERN O=C(CC(F)(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347298081 457338032 /nfs/dbraw/zinc/33/80/32/457338032.db2.gz ZGWYHUPYOUFGFF-UHFFFAOYSA-N 0 0 327.056 3.248 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(F)c(F)c21 ZINC000355153781 457344514 /nfs/dbraw/zinc/34/45/14/457344514.db2.gz WGEABCJXKBDDCF-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2ccncn2)C1 ZINC000363497227 457347882 /nfs/dbraw/zinc/34/78/82/457347882.db2.gz WLTUXXGTKZUYKY-AWEZNQCLSA-N 0 0 342.399 3.163 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCC[C@@H]1COc2ccccc2O1 ZINC000360783418 457350975 /nfs/dbraw/zinc/35/09/75/457350975.db2.gz TXAJCCUMDXPMFC-OAHLLOKOSA-N 0 0 344.367 3.383 10 5 EGBERN Cc1nc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000342588210 457382737 /nfs/dbraw/zinc/38/27/37/457382737.db2.gz SMJUUVLLCPNYSL-UHFFFAOYSA-N 0 0 344.396 3.301 10 5 EGBERN CCOc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000360851127 457384930 /nfs/dbraw/zinc/38/49/30/457384930.db2.gz MLFSXRHRZYTTLR-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)NCCc1ccccc1[N+](=O)[O-] ZINC000347378213 457387316 /nfs/dbraw/zinc/38/73/16/457387316.db2.gz VUUNJHWPWXJCGP-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN Cc1nn(C)c(-c2nc(C[C@H](C)c3ccccc3)no2)c1[N+](=O)[O-] ZINC000357281493 457420489 /nfs/dbraw/zinc/42/04/89/457420489.db2.gz GGWNPHLOSRJWON-JTQLQIEISA-N 0 0 327.344 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc4cnccc43)n2)nc1 ZINC000357322938 457446111 /nfs/dbraw/zinc/44/61/11/457446111.db2.gz DRUKDYVUUZBWOB-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cccc1[N+](=O)[O-] ZINC000360951494 457458976 /nfs/dbraw/zinc/45/89/76/457458976.db2.gz PEOVFCITYGBIRN-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1nn(C)cc1Br ZINC000393355657 457464689 /nfs/dbraw/zinc/46/46/89/457464689.db2.gz QPZILYKEHRYSMN-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC(C)(C(=O)Nc1csc2ccccc12)n1cc([N+](=O)[O-])cn1 ZINC000352572638 457477754 /nfs/dbraw/zinc/47/77/54/457477754.db2.gz KPPYWYLFSPPSIQ-UHFFFAOYSA-N 0 0 330.369 3.380 10 5 EGBERN O=C(Cc1cccc(O)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357373430 457479610 /nfs/dbraw/zinc/47/96/10/457479610.db2.gz NDNRKAIPKPYFOB-KRWDZBQOSA-N 0 0 344.392 3.117 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@@H]1C ZINC000361061032 457554292 /nfs/dbraw/zinc/55/42/92/457554292.db2.gz YCMYZNJWLYLBRC-ZDUSSCGKSA-N 0 0 325.368 3.419 10 5 EGBERN C[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000408407866 457567955 /nfs/dbraw/zinc/56/79/55/457567955.db2.gz WVGKWYLMVMILGC-KGLIPLIRSA-N 0 0 331.416 3.456 10 5 EGBERN C[C@@H]1CCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccn2)C1 ZINC000408513139 457571980 /nfs/dbraw/zinc/57/19/80/457571980.db2.gz WPQQFYNFJXLYLJ-LLVKDONJSA-N 0 0 344.346 3.227 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000409581871 457607773 /nfs/dbraw/zinc/60/77/73/457607773.db2.gz MXJGHWYMUKJFIM-CQSZACIVSA-N 0 0 348.424 3.392 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357684565 457655074 /nfs/dbraw/zinc/65/50/74/457655074.db2.gz HUHICVJNHHTEOI-CXAGYDPISA-N 0 0 344.342 3.242 10 5 EGBERN COCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@@H](C)C1 ZINC000361247526 457665487 /nfs/dbraw/zinc/66/54/87/457665487.db2.gz XLYLXTLGZWCCRF-CHWSQXEVSA-N 0 0 345.399 3.353 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1 ZINC000374584762 457666094 /nfs/dbraw/zinc/66/60/94/457666094.db2.gz MLGLQKDHJQNRPW-JKSUJKDBSA-N 0 0 335.367 3.331 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nn1-c1ccccc1 ZINC000357753005 457678366 /nfs/dbraw/zinc/67/83/66/457678366.db2.gz ABDHVUCWAFAPGT-UHFFFAOYSA-N 0 0 342.380 3.133 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000357777806 457686141 /nfs/dbraw/zinc/68/61/41/457686141.db2.gz JWZSSEJMWRFZBM-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cc1ccncc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361410116 457721075 /nfs/dbraw/zinc/72/10/75/457721075.db2.gz KGLZZMBRTPSNCZ-UHFFFAOYSA-N 0 0 342.399 3.067 10 5 EGBERN CCOc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000374971488 457743377 /nfs/dbraw/zinc/74/33/77/457743377.db2.gz JUCDTBBVIUKXNV-CYBMUJFWSA-N 0 0 348.399 3.025 10 5 EGBERN CCc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000370959380 457744332 /nfs/dbraw/zinc/74/43/32/457744332.db2.gz BAQLIMWBESRWOH-CQSZACIVSA-N 0 0 344.371 3.216 10 5 EGBERN CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361508525 457761246 /nfs/dbraw/zinc/76/12/46/457761246.db2.gz NBDLKSFYNYAXMI-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN CC(C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000410960112 457771345 /nfs/dbraw/zinc/77/13/45/457771345.db2.gz BEUSFRCIYUMYNJ-UHFFFAOYSA-N 0 0 342.220 3.267 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccncc2)n1 ZINC000361545193 457785273 /nfs/dbraw/zinc/78/52/73/457785273.db2.gz HYDQSQSONOULRQ-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411207992 457830815 /nfs/dbraw/zinc/83/08/15/457830815.db2.gz KADPCZRTGFAPGF-HUUCEWRRSA-N 0 0 347.415 3.173 10 5 EGBERN CCOc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000375285003 457863832 /nfs/dbraw/zinc/86/38/32/457863832.db2.gz YDVRRWFGHNENCP-UHFFFAOYSA-N 0 0 348.399 3.026 10 5 EGBERN CCC1(CC)[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1OC ZINC000361819464 457884649 /nfs/dbraw/zinc/88/46/49/457884649.db2.gz OCONDFZRCCJQMS-HOTGVXAUSA-N 0 0 345.399 3.400 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1OC ZINC000361819463 457884661 /nfs/dbraw/zinc/88/46/61/457884661.db2.gz OCONDFZRCCJQMS-CVEARBPZSA-N 0 0 345.399 3.400 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccnc(-n3ccnc3)c2)ccc2ncccc21 ZINC000361829132 457891890 /nfs/dbraw/zinc/89/18/90/457891890.db2.gz FDRUZVITOKWJMA-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN COc1cc(CSc2cccnn2)c([N+](=O)[O-])cc1OC(F)F ZINC000358256889 457892474 /nfs/dbraw/zinc/89/24/74/457892474.db2.gz CLVBDDWWTQIJHB-UHFFFAOYSA-N 0 0 343.311 3.287 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371467107 457945563 /nfs/dbraw/zinc/94/55/63/457945563.db2.gz VTCZMHZRGZKMRZ-UHFFFAOYSA-N 0 0 342.399 3.263 10 5 EGBERN CSC[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005832 458004416 /nfs/dbraw/zinc/00/44/16/458004416.db2.gz AMQGUTHEXNCRNC-LLVKDONJSA-N 0 0 326.421 3.163 10 5 EGBERN O=C(c1cc2[nH]ccc2s1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000375655679 458008085 /nfs/dbraw/zinc/00/80/85/458008085.db2.gz CZHPZNGWHSOPFU-UHFFFAOYSA-N 0 0 343.364 3.041 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000445172833 458023372 /nfs/dbraw/zinc/02/33/72/458023372.db2.gz LQAMJKSKBPGPMA-OAHLLOKOSA-N 0 0 341.367 3.290 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000375724413 458038303 /nfs/dbraw/zinc/03/83/03/458038303.db2.gz LBGHSCOLTVUCIK-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)Cc3ccccc3C2)c2ccncc21 ZINC000371712292 458045200 /nfs/dbraw/zinc/04/52/00/458045200.db2.gz ACJWPIZAHVEAHD-UHFFFAOYSA-N 0 0 335.363 3.085 10 5 EGBERN C[C@H]1CC(C)(C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412046384 458064134 /nfs/dbraw/zinc/06/41/34/458064134.db2.gz REBUDSAXANHSOG-JTQLQIEISA-N 0 0 325.796 3.307 10 5 EGBERN Cc1c(Cc2nc(-c3cnn(C(C)(C)C)c3)no2)cccc1[N+](=O)[O-] ZINC000445644593 458074293 /nfs/dbraw/zinc/07/42/93/458074293.db2.gz HXXBOWWRUPFVRA-UHFFFAOYSA-N 0 0 341.371 3.496 10 5 EGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000445663598 458075873 /nfs/dbraw/zinc/07/58/73/458075873.db2.gz AGSPYSCNWZUGHW-UTLUCORTSA-N 0 0 329.194 3.359 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000362379014 458135002 /nfs/dbraw/zinc/13/50/02/458135002.db2.gz ORBGRYBBQHFJGM-HNNXBMFYSA-N 0 0 328.368 3.144 10 5 EGBERN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000371991934 458153437 /nfs/dbraw/zinc/15/34/37/458153437.db2.gz MUDXEKYPHPJRLX-ZDUSSCGKSA-N 0 0 346.412 3.158 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCCC23CCC3)c(C)c([N+](=O)[O-])c1 ZINC000446265135 458167902 /nfs/dbraw/zinc/16/79/02/458167902.db2.gz NRKVOSNDFUADIK-UHFFFAOYSA-N 0 0 347.371 3.240 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446322524 458176906 /nfs/dbraw/zinc/17/69/06/458176906.db2.gz POLHWEACGSCYKG-SNVBAGLBSA-N 0 0 341.205 3.475 10 5 EGBERN COc1cccc(C(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-] ZINC000435912728 458223025 /nfs/dbraw/zinc/22/30/25/458223025.db2.gz CDGLCKJYZTYEAA-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000376270536 458254950 /nfs/dbraw/zinc/25/49/50/458254950.db2.gz PQUSKNWBYLAGKT-KRWDZBQOSA-N 0 0 339.395 3.014 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000436160702 458261477 /nfs/dbraw/zinc/26/14/77/458261477.db2.gz JBKBITOMXBSRRN-UWVGGRQHSA-N 0 0 346.836 3.366 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)cc1C ZINC000436190285 458266033 /nfs/dbraw/zinc/26/60/33/458266033.db2.gz WDPGUKVYDTXEEQ-ZWNOBZJWSA-N 0 0 326.418 3.021 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000369720841 458326282 /nfs/dbraw/zinc/32/62/82/458326282.db2.gz BLJZKUSOMBQLOP-LBPRGKRZSA-N 0 0 334.763 3.339 10 5 EGBERN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCCC1CS(=O)(=O)C1 ZINC000447787120 458340190 /nfs/dbraw/zinc/34/01/90/458340190.db2.gz IZTUEIVEPWVSEX-UHFFFAOYSA-N 0 0 347.392 3.075 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000437116436 458428560 /nfs/dbraw/zinc/42/85/60/458428560.db2.gz LIRZIZJEELQTIU-KBPBESRZSA-N 0 0 338.429 3.432 10 5 EGBERN CC1=C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269647 458432922 /nfs/dbraw/zinc/43/29/22/458432922.db2.gz ROORLNXHPJLDJT-ZYHUDNBSSA-N 0 0 337.807 3.473 10 5 EGBERN C[C@@H]1CCN(c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccn2)C1 ZINC000437417097 458451341 /nfs/dbraw/zinc/45/13/41/458451341.db2.gz YZYJRACPBPDQQO-GFCCVEGCSA-N 0 0 326.356 3.088 10 5 EGBERN COc1cc(CN[C@@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192480 458581988 /nfs/dbraw/zinc/58/19/88/458581988.db2.gz IZDJNUVPFYWQGI-MSOLQXFVSA-N 0 0 346.358 3.339 10 5 EGBERN CN(C[C@@H](O)Cc1ccccc1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000431509653 458583247 /nfs/dbraw/zinc/58/32/47/458583247.db2.gz WDGNRLPSACLAOR-HNNXBMFYSA-N 0 0 337.379 3.183 10 5 EGBERN Cc1cc(N[C@@H]2CCN(c3ccccc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000461957966 458583513 /nfs/dbraw/zinc/58/35/13/458583513.db2.gz LGGUCWQJMKTUAW-CQSZACIVSA-N 0 0 329.331 3.260 10 5 EGBERN O=C(CN1CCCC[C@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502842107 458674337 /nfs/dbraw/zinc/67/43/37/458674337.db2.gz KMHBYCBEMNAPRN-LBPRGKRZSA-N 0 0 347.749 3.306 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439309289 458688463 /nfs/dbraw/zinc/68/84/63/458688463.db2.gz FQDZNHSKNUTCEJ-KGLIPLIRSA-N 0 0 333.388 3.184 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1OCc1cn(-c2ccccc2)nn1 ZINC000471299350 458689186 /nfs/dbraw/zinc/68/91/86/458689186.db2.gz CGTZSFUNLABZCG-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN Nc1c(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000456551522 458712226 /nfs/dbraw/zinc/71/22/26/458712226.db2.gz DIIBWERHLWCJDD-OAHLLOKOSA-N 0 0 327.340 3.137 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000456560176 458715068 /nfs/dbraw/zinc/71/50/68/458715068.db2.gz JSFFOTIANPWIGW-HNNXBMFYSA-N 0 0 344.371 3.402 10 5 EGBERN O=[N+]([O-])c1cccc2c(NC[C@@H]3COc4ccccc4O3)ccnc21 ZINC000432322774 458715833 /nfs/dbraw/zinc/71/58/33/458715833.db2.gz ACJHBPPGSURULG-GFCCVEGCSA-N 0 0 337.335 3.395 10 5 EGBERN COc1cc(C)nc(COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000471871095 458746339 /nfs/dbraw/zinc/74/63/39/458746339.db2.gz OLUVAUPMHKDYQS-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC000432547048 458754105 /nfs/dbraw/zinc/75/41/05/458754105.db2.gz QRNPIRUETKHNPT-FZMZJTMJSA-N 0 0 338.429 3.250 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(C(C)(C)c3ccccc3)CC2)n1 ZINC000456818702 458790043 /nfs/dbraw/zinc/79/00/43/458790043.db2.gz UXDQEVOJFPQUEO-UHFFFAOYSA-N 0 0 342.399 3.051 10 5 EGBERN COC(=O)CC1(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000440589352 458829572 /nfs/dbraw/zinc/82/95/72/458829572.db2.gz SJMGUJBBIVSAAG-UHFFFAOYSA-N 0 0 333.262 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000518441673 458867433 /nfs/dbraw/zinc/86/74/33/458867433.db2.gz NRDHEQTTZKHOFX-SJCJKPOMSA-N 0 0 346.408 3.115 10 5 EGBERN CCc1ccc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1OC ZINC000519142901 458918469 /nfs/dbraw/zinc/91/84/69/458918469.db2.gz CNOVUKRRTDORLQ-INIZCTEOSA-N 0 0 346.383 3.018 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000457343384 458926466 /nfs/dbraw/zinc/92/64/66/458926466.db2.gz NLOBGHYNUMGJQN-UHFFFAOYSA-N 0 0 328.315 3.314 10 5 EGBERN COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000467002835 458942670 /nfs/dbraw/zinc/94/26/70/458942670.db2.gz DURSNIWBTZTFPP-DYVFJYSZSA-N 0 0 328.368 3.468 10 5 EGBERN O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531623813 458946303 /nfs/dbraw/zinc/94/63/03/458946303.db2.gz OMGFDRHKDDGAKT-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531881108 458993932 /nfs/dbraw/zinc/99/39/32/458993932.db2.gz GLICXBUNFVZPFT-CYBMUJFWSA-N 0 0 327.384 3.476 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(CC)CC ZINC000531887150 458994778 /nfs/dbraw/zinc/99/47/78/458994778.db2.gz BLZLQORHDSXDGE-GJZGRUSLSA-N 0 0 335.404 3.046 10 5 EGBERN CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476640234 459011649 /nfs/dbraw/zinc/01/16/49/459011649.db2.gz ZAWASHDDENLJQD-RNCFNFMXSA-N 0 0 346.836 3.366 10 5 EGBERN COCC[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000577527702 459047290 /nfs/dbraw/zinc/04/72/90/459047290.db2.gz AENXQESUAKFBBQ-AWEZNQCLSA-N 0 0 337.420 3.420 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000477695439 459054048 /nfs/dbraw/zinc/05/40/48/459054048.db2.gz BAYNQDRUTRTSHU-NSHDSACASA-N 0 0 340.301 3.275 10 5 EGBERN Nc1cc(N2CC[C@@H](c3cccc(Cl)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590085192 459080237 /nfs/dbraw/zinc/08/02/37/459080237.db2.gz IBXAZKHXGOFCBH-GFCCVEGCSA-N 0 0 347.802 3.317 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc2c1OCO2 ZINC000594534559 459082246 /nfs/dbraw/zinc/08/22/46/459082246.db2.gz BCHAKBJJRCKKDC-IEBDPFPHSA-N 0 0 329.312 3.277 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000594552669 459086879 /nfs/dbraw/zinc/08/68/79/459086879.db2.gz FJKJITSDKACKCP-CQSZACIVSA-N 0 0 337.420 3.187 10 5 EGBERN Cc1cc(N2C[C@@H](O)CC(F)(F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590138906 459091591 /nfs/dbraw/zinc/09/15/91/459091591.db2.gz VMBMSVSJAMTUFA-QMMMGPOBSA-N 0 0 340.248 3.128 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594565743 459092452 /nfs/dbraw/zinc/09/24/52/459092452.db2.gz GJOGCLRJSXBWBN-HDJSIYSDSA-N 0 0 335.404 3.082 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CC3)[C@@H]3CCCCO3)c2c1 ZINC000594589683 459101335 /nfs/dbraw/zinc/10/13/35/459101335.db2.gz FDQSFDHJHPMFSV-HOTGVXAUSA-N 0 0 328.372 3.298 10 5 EGBERN CN1CCO[C@@H](CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000578009562 459131854 /nfs/dbraw/zinc/13/18/54/459131854.db2.gz YIEQKBAFFBLIQQ-SNVBAGLBSA-N 0 0 336.335 3.036 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594711169 459136355 /nfs/dbraw/zinc/13/63/55/459136355.db2.gz JKJYLOQKXZDQPJ-GFCCVEGCSA-N 0 0 341.367 3.107 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(C3(C(F)(F)F)CCOCC3)n2)c1 ZINC000594732890 459143324 /nfs/dbraw/zinc/14/33/24/459143324.db2.gz WGTQLJIINRNJAQ-UHFFFAOYSA-N 0 0 343.261 3.255 10 5 EGBERN Cc1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590557291 459148152 /nfs/dbraw/zinc/14/81/52/459148152.db2.gz VUVRAUTUAQPCDZ-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN CC(C)C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594743556 459148514 /nfs/dbraw/zinc/14/85/14/459148514.db2.gz HASSHJCISQIAEU-CQSZACIVSA-N 0 0 349.412 3.056 10 5 EGBERN Cc1ccc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000590556786 459148517 /nfs/dbraw/zinc/14/85/17/459148517.db2.gz LABRGUJIOKLRRT-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000594861777 459163090 /nfs/dbraw/zinc/16/30/90/459163090.db2.gz JMQLBQHVRNEILK-INIZCTEOSA-N 0 0 349.412 3.000 10 5 EGBERN C[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957413 459191717 /nfs/dbraw/zinc/19/17/17/459191717.db2.gz OIJJNVQTRXHBNQ-FZMZJTMJSA-N 0 0 339.355 3.242 10 5 EGBERN COc1cccc([C@H]2C[C@H](Nc3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c1 ZINC000590726373 459196578 /nfs/dbraw/zinc/19/65/78/459196578.db2.gz SLNIWEYHKFDRKZ-MQMHXKEQSA-N 0 0 343.383 3.036 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC23CCOCC3)c1 ZINC000590728787 459197145 /nfs/dbraw/zinc/19/71/45/459197145.db2.gz UITNFZAYCFSLKN-UHFFFAOYSA-N 0 0 330.306 3.369 10 5 EGBERN O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000521988252 459200156 /nfs/dbraw/zinc/20/01/56/459200156.db2.gz MUTIQZNKNLIUBZ-UHFFFAOYSA-N 0 0 341.367 3.241 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000558877122 459219409 /nfs/dbraw/zinc/21/94/09/459219409.db2.gz BASJKUABMMBLQF-HUUCEWRRSA-N 0 0 341.415 3.500 10 5 EGBERN C[C@H]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578573300 459224103 /nfs/dbraw/zinc/22/41/03/459224103.db2.gz SCYKIJTVCQBCMZ-GXTWGEPZSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2C)c1C ZINC000480995955 459227244 /nfs/dbraw/zinc/22/72/44/459227244.db2.gz YNXMLNRSUNPJIO-LBPRGKRZSA-N 0 0 326.418 3.165 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080162 459239826 /nfs/dbraw/zinc/23/98/26/459239826.db2.gz OEFFLJMHYXMAHX-UKRRQHHQSA-N 0 0 336.342 3.053 10 5 EGBERN COc1ccc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536670 459248826 /nfs/dbraw/zinc/24/88/26/459248826.db2.gz MYICEDZEEKCNIC-ORAYPTAESA-N 0 0 342.395 3.427 10 5 EGBERN CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000481470880 459256586 /nfs/dbraw/zinc/25/65/86/459256586.db2.gz DOUBAWQUJHUDNP-SNVBAGLBSA-N 0 0 332.447 3.103 10 5 EGBERN CC(C)(CNC(=O)NCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000595445655 459304708 /nfs/dbraw/zinc/30/47/08/459304708.db2.gz FYBUFPAKWZZWCT-UHFFFAOYSA-N 0 0 333.310 3.373 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(C2CCC2)CC1 ZINC000595467527 459313432 /nfs/dbraw/zinc/31/34/32/459313432.db2.gz HOFSMPPXLKDPRO-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000595516881 459331482 /nfs/dbraw/zinc/33/14/82/459331482.db2.gz CDAFGCHVKDZJED-PBHICJAKSA-N 0 0 349.431 3.174 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595521520 459333415 /nfs/dbraw/zinc/33/34/15/459333415.db2.gz DNIUYFDVPWMZPD-SUMWQHHRSA-N 0 0 339.395 3.165 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337601 459357958 /nfs/dbraw/zinc/35/79/58/459357958.db2.gz DTFLZCLOGHIGOY-PXAZEXFGSA-N 0 0 325.368 3.328 10 5 EGBERN COc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000541099916 459427540 /nfs/dbraw/zinc/42/75/40/459427540.db2.gz JIOUATUPARHMRS-VMPITWQZSA-N 0 0 327.340 3.438 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@]1(C)CC1(F)F ZINC000595778960 459436387 /nfs/dbraw/zinc/43/63/87/459436387.db2.gz WNVNNMRVKWZXFN-AWEZNQCLSA-N 0 0 327.331 3.172 10 5 EGBERN C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595781460 459437139 /nfs/dbraw/zinc/43/71/39/459437139.db2.gz UFCCDPNUSPOXLN-MNOVXSKESA-N 0 0 343.221 3.357 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)C(C)(C)C ZINC000595857219 459465967 /nfs/dbraw/zinc/46/59/67/459465967.db2.gz MYJYMVCXEPSITH-UHFFFAOYSA-N 0 0 329.347 3.418 10 5 EGBERN CCOC(=O)Cc1ccc(NCc2csc(CC)n2)c([N+](=O)[O-])c1 ZINC000591909408 459479691 /nfs/dbraw/zinc/47/96/91/459479691.db2.gz OVYKDNDJAJVDDV-UHFFFAOYSA-N 0 0 349.412 3.331 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1Oc1ccccc1 ZINC000486021618 459484481 /nfs/dbraw/zinc/48/44/81/459484481.db2.gz YNHYEXNLWPRSEP-ZMSDIMECSA-N 0 0 329.356 3.027 10 5 EGBERN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000595923518 459487354 /nfs/dbraw/zinc/48/73/54/459487354.db2.gz XXQMODHGGKSHGD-XLKFXECMSA-N 0 0 336.285 3.118 10 5 EGBERN CCOC(=O)Cc1ccc(N[C@H]2CCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000591950316 459495835 /nfs/dbraw/zinc/49/58/35/459495835.db2.gz HMODAHCTWFKFMY-UONOGXRCSA-N 0 0 336.388 3.070 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000591963531 459499459 /nfs/dbraw/zinc/49/94/59/459499459.db2.gz GTAYSOIHSYVVHZ-SNVBAGLBSA-N 0 0 329.347 3.436 10 5 EGBERN CCCC[C@](C)(CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000591976561 459502234 /nfs/dbraw/zinc/50/22/34/459502234.db2.gz YQHOZUUNYQLDQD-GFCCVEGCSA-N 0 0 332.198 3.105 10 5 EGBERN COc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596081584 459512885 /nfs/dbraw/zinc/51/28/85/459512885.db2.gz AMQYCFCIUZMZOK-SNVBAGLBSA-N 0 0 336.779 3.364 10 5 EGBERN CCN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596086715 459514563 /nfs/dbraw/zinc/51/45/63/459514563.db2.gz AKCJKCFKRPGZQD-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592046034 459516250 /nfs/dbraw/zinc/51/62/50/459516250.db2.gz GJOGCLRJSXBWBN-OKILXGFUSA-N 0 0 335.404 3.082 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592114049 459526990 /nfs/dbraw/zinc/52/69/90/459526990.db2.gz SPLVVAZDXONUOJ-CYBMUJFWSA-N 0 0 342.392 3.077 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596130857 459531162 /nfs/dbraw/zinc/53/11/62/459531162.db2.gz ZREPKWOARSUSPP-IUCAKERBSA-N 0 0 344.820 3.365 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@H]1CCCO1 ZINC000596175558 459548099 /nfs/dbraw/zinc/54/80/99/459548099.db2.gz UHABXYATRGKTHL-JOYOIKCWSA-N 0 0 342.779 3.404 10 5 EGBERN COCC1(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000583496863 459548209 /nfs/dbraw/zinc/54/82/09/459548209.db2.gz LYXSWBVAYRISCY-UHFFFAOYSA-N 0 0 327.384 3.307 10 5 EGBERN CNc1ccc(C(=O)NCCCNc2ccccc2F)cc1[N+](=O)[O-] ZINC000542417709 459555786 /nfs/dbraw/zinc/55/57/86/459555786.db2.gz HQEPYFDCEYWKIJ-UHFFFAOYSA-N 0 0 346.362 3.008 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-] ZINC000596208517 459560404 /nfs/dbraw/zinc/56/04/04/459560404.db2.gz IITPDDVSGPRVPO-VIFPVBQESA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000596221886 459565585 /nfs/dbraw/zinc/56/55/85/459565585.db2.gz GBGIJLKDQPXYPT-CABZTGNLSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596227759 459567334 /nfs/dbraw/zinc/56/73/34/459567334.db2.gz UBNLUFZDWNQIIF-SFHVURJKSA-N 0 0 343.358 3.077 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596233597 459569613 /nfs/dbraw/zinc/56/96/13/459569613.db2.gz YBPXGACSYKWRJE-CBAPKCEASA-N 0 0 330.793 3.198 10 5 EGBERN CC(C)(C)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000542545680 459569795 /nfs/dbraw/zinc/56/97/95/459569795.db2.gz TZWPEXPCQSDRBX-DZGCQCFKSA-N 0 0 326.824 3.477 10 5 EGBERN COc1cccc(CCCn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000592360503 459579600 /nfs/dbraw/zinc/57/96/00/459579600.db2.gz XOSXHSMLNDIMRH-UHFFFAOYSA-N 0 0 342.395 3.277 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCc1c(F)cccc1F)CCCC2 ZINC000592360414 459580077 /nfs/dbraw/zinc/58/00/77/459580077.db2.gz URISJEOZYACITH-UHFFFAOYSA-N 0 0 334.322 3.156 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC(C2(O)CC2)CC1 ZINC000596290540 459587111 /nfs/dbraw/zinc/58/71/11/459587111.db2.gz MZYQNFMKDGIQIQ-UHFFFAOYSA-N 0 0 341.205 3.099 10 5 EGBERN COc1cc(CCCO)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000596303714 459590393 /nfs/dbraw/zinc/59/03/93/459590393.db2.gz WQKXAIIVLLFXIE-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000527182663 459603606 /nfs/dbraw/zinc/60/36/06/459603606.db2.gz OCONITSXPFGAPA-KBPBESRZSA-N 0 0 331.416 3.454 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596361490 459607574 /nfs/dbraw/zinc/60/75/74/459607574.db2.gz SVRIVGBUSLBRSC-WRSAYESZSA-N 0 0 345.399 3.121 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCOC[C@@H](C3CCC3)C1)CCCC2 ZINC000573087115 459624661 /nfs/dbraw/zinc/62/46/61/459624661.db2.gz SVNJWNXVPSREOI-HNNXBMFYSA-N 0 0 331.416 3.122 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCOC[C@H](C3CCC3)C1)CCCC2 ZINC000573087116 459624783 /nfs/dbraw/zinc/62/47/83/459624783.db2.gz SVNJWNXVPSREOI-OAHLLOKOSA-N 0 0 331.416 3.122 10 5 EGBERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000592528281 459627167 /nfs/dbraw/zinc/62/71/67/459627167.db2.gz HDNFZKGMTZRZSM-SNVBAGLBSA-N 0 0 349.774 3.128 10 5 EGBERN COC1(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC1 ZINC000592575794 459634131 /nfs/dbraw/zinc/63/41/31/459634131.db2.gz FZHFNNDUZGDEAH-UHFFFAOYSA-N 0 0 333.369 3.144 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000596440800 459636614 /nfs/dbraw/zinc/63/66/14/459636614.db2.gz DIMRVBIHQSDLGB-VIFPVBQESA-N 0 0 339.277 3.140 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000527370048 459637445 /nfs/dbraw/zinc/63/74/45/459637445.db2.gz ZWPJWCIXGOYDLS-PEGIJTEDSA-N 0 0 326.780 3.242 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000596449837 459640996 /nfs/dbraw/zinc/64/09/96/459640996.db2.gz JVYWNDZVHWPNNX-UHFFFAOYSA-N 0 0 341.433 3.390 10 5 EGBERN CCc1nn(C)c(NCc2cccc(OC3CC3)c2F)c1[N+](=O)[O-] ZINC000596450747 459641072 /nfs/dbraw/zinc/64/10/72/459641072.db2.gz VDZJWNOURHRBRN-UHFFFAOYSA-N 0 0 334.351 3.183 10 5 EGBERN C[C@H]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000596474823 459649490 /nfs/dbraw/zinc/64/94/90/459649490.db2.gz OVBPZSLRRNOZGF-WPRPVWTQSA-N 0 0 330.182 3.122 10 5 EGBERN COC(=O)Cc1ccc(NCC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596477255 459650484 /nfs/dbraw/zinc/65/04/84/459650484.db2.gz IGWAEXWYLBLAGK-CQSZACIVSA-N 0 0 328.315 3.158 10 5 EGBERN COc1cc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000596487350 459654389 /nfs/dbraw/zinc/65/43/89/459654389.db2.gz HFYYXGJMWFWOBZ-JSGCOSHPSA-N 0 0 348.378 3.299 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000596495280 459656195 /nfs/dbraw/zinc/65/61/95/459656195.db2.gz SLHQJGXVOBKVOP-HUUCEWRRSA-N 0 0 347.415 3.232 10 5 EGBERN CCc1nn(C)c(N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000596493783 459656345 /nfs/dbraw/zinc/65/63/45/459656345.db2.gz JZELSLFEVUTMFH-STQMWFEESA-N 0 0 336.436 3.429 10 5 EGBERN COCC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000596500164 459658265 /nfs/dbraw/zinc/65/82/65/459658265.db2.gz ZPGFARYWPWYFLX-UHFFFAOYSA-N 0 0 325.340 3.205 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C12CCC2 ZINC000596507536 459661245 /nfs/dbraw/zinc/66/12/45/459661245.db2.gz KPRXHGFSYPHQDH-KBPBESRZSA-N 0 0 347.415 3.232 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000573338624 459662873 /nfs/dbraw/zinc/66/28/73/459662873.db2.gz SYGKIGRXKVURGL-NSHDSACASA-N 0 0 348.790 3.343 10 5 EGBERN COC(=O)c1cc(N2CC3(CCCC3)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596515299 459662896 /nfs/dbraw/zinc/66/28/96/459662896.db2.gz MVETWNBBWAUKJM-ZDUSSCGKSA-N 0 0 348.399 3.228 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000592677117 459663387 /nfs/dbraw/zinc/66/33/87/459663387.db2.gz TUJKUBMQYUJYBF-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCCOc1ccc(Cl)cc1)CC2 ZINC000543480737 459663321 /nfs/dbraw/zinc/66/33/21/459663321.db2.gz OZJAWVIAEIZYNA-UHFFFAOYSA-N 0 0 347.802 3.470 10 5 EGBERN Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596530000 459667904 /nfs/dbraw/zinc/66/79/04/459667904.db2.gz SQNQAADNWRVUOB-MNOVXSKESA-N 0 0 330.306 3.395 10 5 EGBERN NC(=O)CC1(CNc2nccc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000596551173 459673181 /nfs/dbraw/zinc/67/31/81/459673181.db2.gz KWVIKEFYBINRPK-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000543629298 459676560 /nfs/dbraw/zinc/67/65/60/459676560.db2.gz MKUIAZYUTZHYAH-AWEZNQCLSA-N 0 0 332.322 3.447 10 5 EGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@](C)(C(F)F)O1 ZINC000596572516 459682096 /nfs/dbraw/zinc/68/20/96/459682096.db2.gz FGDFZCILORXBEM-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN CCOc1cc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596574992 459683302 /nfs/dbraw/zinc/68/33/02/459683302.db2.gz SAPAQVIONNNWFA-MEBBXXQBSA-N 0 0 330.331 3.242 10 5 EGBERN Cn1c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000500578666 459686250 /nfs/dbraw/zinc/68/62/50/459686250.db2.gz DCBOQKKKTNPIBC-HUUCEWRRSA-N 0 0 327.384 3.390 10 5 EGBERN Cc1ccn([C@H](C)Cc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)n1 ZINC000596592824 459688733 /nfs/dbraw/zinc/68/87/33/459688733.db2.gz SYKFRLRLJUMOFO-CYBMUJFWSA-N 0 0 341.371 3.186 10 5 EGBERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]2C ZINC000543789239 459699710 /nfs/dbraw/zinc/69/97/10/459699710.db2.gz XYOUMQXXWPSEPG-RYUDHWBXSA-N 0 0 341.367 3.146 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)COc1cccc2[nH]ccc21 ZINC000573584681 459702150 /nfs/dbraw/zinc/70/21/50/459702150.db2.gz UELXLEJAXKTWIN-CYBMUJFWSA-N 0 0 342.351 3.203 10 5 EGBERN O=C(Nc1cc(C2CC2)ccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573647886 459709945 /nfs/dbraw/zinc/70/99/45/459709945.db2.gz NOXCQMBVYZCAGU-UHFFFAOYSA-N 0 0 338.367 3.457 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC12CC=CC2 ZINC000592899981 459715737 /nfs/dbraw/zinc/71/57/37/459715737.db2.gz GKODZIPKQNVBRQ-INIZCTEOSA-N 0 0 340.383 3.288 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000593017552 459741405 /nfs/dbraw/zinc/74/14/05/459741405.db2.gz BSAMQUSQTJDPMI-SNVBAGLBSA-N 0 0 334.269 3.077 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1(F)F ZINC000596826465 459772161 /nfs/dbraw/zinc/77/21/61/459772161.db2.gz POPYOLDAAOUDAJ-OAHLLOKOSA-N 0 0 339.342 3.314 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000596833008 459774189 /nfs/dbraw/zinc/77/41/89/459774189.db2.gz TXQZAYJSLSTARY-NSHDSACASA-N 0 0 325.340 3.207 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596838223 459775638 /nfs/dbraw/zinc/77/56/38/459775638.db2.gz KZTQKEFEKGVXTD-QGZVFWFLSA-N 0 0 333.388 3.244 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596899837 459790486 /nfs/dbraw/zinc/79/04/86/459790486.db2.gz VXRCQNHABBQOAN-QWHCGFSZSA-N 0 0 347.415 3.393 10 5 EGBERN C[C@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000596899300 459790540 /nfs/dbraw/zinc/79/05/40/459790540.db2.gz HAQGIDOCNVKJAP-NSHDSACASA-N 0 0 335.404 3.175 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596912610 459793447 /nfs/dbraw/zinc/79/34/47/459793447.db2.gz KSXDBGJWTAXJFN-QGZVFWFLSA-N 0 0 333.388 3.190 10 5 EGBERN COc1cc(C(=O)N(CC(C)C)c2ccc(F)cn2)ccc1[N+](=O)[O-] ZINC000593183634 459799384 /nfs/dbraw/zinc/79/93/84/459799384.db2.gz FBGXOTNRUQDIQF-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN COc1ccc(C(=O)N(CC(C)C)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000593183765 459799586 /nfs/dbraw/zinc/79/95/86/459799586.db2.gz JAJRITYANATXJQ-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@H](C)c2cnc(C)cn2)c1 ZINC000593196638 459804311 /nfs/dbraw/zinc/80/43/11/459804311.db2.gz LXMCGSDPWQDCJD-LLVKDONJSA-N 0 0 347.396 3.474 10 5 EGBERN CC(C)N(Cc1cn(C2CCC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000596979049 459808945 /nfs/dbraw/zinc/80/89/45/459808945.db2.gz GOMXAPKIEUSYOE-UHFFFAOYSA-N 0 0 329.404 3.322 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545364064 459827824 /nfs/dbraw/zinc/82/78/24/459827824.db2.gz GVEOUBWVALLYTP-CABCVRRESA-N 0 0 340.445 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000593296887 459832388 /nfs/dbraw/zinc/83/23/88/459832388.db2.gz VHJHDZVNVZNFRL-IINYFYTJSA-N 0 0 339.355 3.321 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000574572900 459835069 /nfs/dbraw/zinc/83/50/69/459835069.db2.gz IZRDFCVGRFRGIZ-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597090228 459835351 /nfs/dbraw/zinc/83/53/51/459835351.db2.gz JUXFMMYDDGRTOQ-ITGUQSILSA-N 0 0 326.356 3.074 10 5 EGBERN CC(C)[C@H]1CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096609 459836578 /nfs/dbraw/zinc/83/65/78/459836578.db2.gz BVTMJBKQJCGLNP-LLVKDONJSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@H]1SCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C ZINC000597103966 459837198 /nfs/dbraw/zinc/83/71/98/459837198.db2.gz NWOGNSIZZGKECC-JGVFFNPUSA-N 0 0 344.824 3.188 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000593357853 459861565 /nfs/dbraw/zinc/86/15/65/459861565.db2.gz JSWZBMSEFKCVHX-CYBMUJFWSA-N 0 0 336.388 3.096 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCC2(CC2(F)F)CC1 ZINC000598317582 459862943 /nfs/dbraw/zinc/86/29/43/459862943.db2.gz KDPIIQDGKGLSKW-UHFFFAOYSA-N 0 0 342.317 3.361 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000593369651 459869288 /nfs/dbraw/zinc/86/92/88/459869288.db2.gz FCLQQQKIJRUJAF-MAZHCROVSA-N 0 0 337.420 3.142 10 5 EGBERN C[C@@H](C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598339618 459871505 /nfs/dbraw/zinc/87/15/05/459871505.db2.gz AVUVDQFUECRGNB-PELKAZGASA-N 0 0 330.306 3.245 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000598352675 459875980 /nfs/dbraw/zinc/87/59/80/459875980.db2.gz PUDFZJBBDAPFQO-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2ccon2)CC1 ZINC000598398415 459889139 /nfs/dbraw/zinc/88/91/39/459889139.db2.gz DRCSXRYYKMFVHW-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccon2)CC1 ZINC000598399755 459889886 /nfs/dbraw/zinc/88/98/86/459889886.db2.gz SUVZKHZNUCVZRC-JKSUJKDBSA-N 0 0 341.367 3.093 10 5 EGBERN COc1ccc(CC(=O)N2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000598401290 459891109 /nfs/dbraw/zinc/89/11/09/459891109.db2.gz SSRRYCBCQJAASA-OAHLLOKOSA-N 0 0 332.400 3.185 10 5 EGBERN Nc1cc(N2CCC[C@@H]2Cc2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587396974 459892606 /nfs/dbraw/zinc/89/26/06/459892606.db2.gz GLBBVQRMNQOFRC-OAHLLOKOSA-N 0 0 345.374 3.020 10 5 EGBERN Nc1cc(NCC2(c3ccc(Cl)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587820936 459895034 /nfs/dbraw/zinc/89/50/34/459895034.db2.gz MCXBTZKMWBMISA-UHFFFAOYSA-N 0 0 347.802 3.466 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H](C2CCOCC2)C1 ZINC000593465919 459897531 /nfs/dbraw/zinc/89/75/31/459897531.db2.gz RUOAZGSMPNBRJD-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCCCC2 ZINC000587985502 459897814 /nfs/dbraw/zinc/89/78/14/459897814.db2.gz LHMRCRLKVIJSKB-JKSUJKDBSA-N 0 0 349.431 3.209 10 5 EGBERN Nc1cc(NCc2ccccc2OC2CCC2)cc(CO)c1[N+](=O)[O-] ZINC000587981416 459898379 /nfs/dbraw/zinc/89/83/79/459898379.db2.gz ISCQIZMLAMHTCA-UHFFFAOYSA-N 0 0 343.383 3.213 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000593469251 459899192 /nfs/dbraw/zinc/89/91/92/459899192.db2.gz KKHDJGHHLIUXLN-PBHICJAKSA-N 0 0 329.400 3.376 10 5 EGBERN CC(C)[C@]1(CO)CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593474895 459900867 /nfs/dbraw/zinc/90/08/67/459900867.db2.gz CUTJUZCKMRTKEG-GOSISDBHSA-N 0 0 329.400 3.378 10 5 EGBERN CCCCCc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000597272564 459902040 /nfs/dbraw/zinc/90/20/40/459902040.db2.gz FSBAQSQUALPBQD-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN CCOc1cccc([C@H]2C[C@@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588012673 459902928 /nfs/dbraw/zinc/90/29/28/459902928.db2.gz YQPIIIUKSZHVCD-WBVHZDCISA-N 0 0 343.383 3.036 10 5 EGBERN Cc1c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000598460098 459903368 /nfs/dbraw/zinc/90/33/68/459903368.db2.gz XYPUSQSRHKZRQL-USXIJHARSA-N 0 0 326.327 3.110 10 5 EGBERN CC(=O)c1cc(NC[C@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484622 459903425 /nfs/dbraw/zinc/90/34/25/459903425.db2.gz QRCUDLLJBQMVJJ-IBGZPJMESA-N 0 0 340.379 3.086 10 5 EGBERN Nc1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588018261 459903535 /nfs/dbraw/zinc/90/35/35/459903535.db2.gz SPKVELMJEPIYIL-YOEHRIQHSA-N 0 0 343.383 3.002 10 5 EGBERN CCOc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1C ZINC000598467014 459904829 /nfs/dbraw/zinc/90/48/29/459904829.db2.gz LLOXJARBTQHNRX-UHFFFAOYSA-N 0 0 347.396 3.428 10 5 EGBERN Cc1cc(N2CC[C@@H](C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588040901 459904852 /nfs/dbraw/zinc/90/48/52/459904852.db2.gz WEPJCMOTEAACAK-GFCCVEGCSA-N 0 0 334.326 3.452 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609128345 459907005 /nfs/dbraw/zinc/90/70/05/459907005.db2.gz USBMZPZOWYLKCO-ZFWWWQNUSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1c(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000598505400 459924685 /nfs/dbraw/zinc/92/46/85/459924685.db2.gz BNSCGWISFGVLOX-ONGXEEELSA-N 0 0 346.305 3.085 10 5 EGBERN CC1(C)CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597409150 459943147 /nfs/dbraw/zinc/94/31/47/459943147.db2.gz QSDNGUQZWDBMJJ-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598572146 459943871 /nfs/dbraw/zinc/94/38/71/459943871.db2.gz KHUHTSIRAWWFHC-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000597410119 459943831 /nfs/dbraw/zinc/94/38/31/459943831.db2.gz JTCAAJQUOUPRNK-AWEZNQCLSA-N 0 0 342.399 3.242 10 5 EGBERN CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000598582478 459952015 /nfs/dbraw/zinc/95/20/15/459952015.db2.gz ZAOIIPLWXYGXFW-UHFFFAOYSA-N 0 0 347.337 3.492 10 5 EGBERN COC(=O)c1ccnc(N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000598588226 459953385 /nfs/dbraw/zinc/95/33/85/459953385.db2.gz ZRZPTNBAZMETFR-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN COC(=O)c1ccnc(NCC(C)(C)c2cccs2)c1[N+](=O)[O-] ZINC000598597740 459957764 /nfs/dbraw/zinc/95/77/64/459957764.db2.gz GYRCGCIVLCYJNW-UHFFFAOYSA-N 0 0 335.385 3.228 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC23CCCC3)cc1OC ZINC000593759063 459976729 /nfs/dbraw/zinc/97/67/29/459976729.db2.gz GSWFITAYMWETII-UHFFFAOYSA-N 0 0 334.372 3.161 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000598655638 459980821 /nfs/dbraw/zinc/98/08/21/459980821.db2.gz XOMUFOLMSHXQBT-STQMWFEESA-N 0 0 349.431 3.375 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](CO)c2ccc(Cl)cc2)n1 ZINC000588847031 459990750 /nfs/dbraw/zinc/99/07/50/459990750.db2.gz IUWISPSNRRMTCH-CYBMUJFWSA-N 0 0 335.791 3.448 10 5 EGBERN CCOc1cccc(N2CCC3(C2)Oc2ccccc2O3)c1[N+](=O)[O-] ZINC000588861535 459994818 /nfs/dbraw/zinc/99/48/18/459994818.db2.gz SBVZHBKFBKISGA-UHFFFAOYSA-N 0 0 342.351 3.371 10 5 EGBERN Cc1ccc2c(c1)N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000588902418 460000928 /nfs/dbraw/zinc/00/09/28/460000928.db2.gz YVANDUVWRBCKDA-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000588920487 460003462 /nfs/dbraw/zinc/00/34/62/460003462.db2.gz DRABOXVKJHEJPM-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN COc1ccc(CC(=O)NCC[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000609656272 460003957 /nfs/dbraw/zinc/00/39/57/460003957.db2.gz GRBJUOWCGWVUCG-UONOGXRCSA-N 0 0 334.416 3.479 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000588932533 460006993 /nfs/dbraw/zinc/00/69/93/460006993.db2.gz LDJRCIZAKCDZES-SJCJKPOMSA-N 0 0 346.333 3.163 10 5 EGBERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609676235 460008182 /nfs/dbraw/zinc/00/81/82/460008182.db2.gz UAQDRVUZHDDQHE-QWRGUYRKSA-N 0 0 332.447 3.151 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000597617514 460009841 /nfs/dbraw/zinc/00/98/41/460009841.db2.gz PHRJBENUKTXIDC-NUTKFTJISA-N 0 0 325.368 3.013 10 5 EGBERN Cc1cccc(C)c1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588948230 460010233 /nfs/dbraw/zinc/01/02/33/460010233.db2.gz KJKSINOGNFLRRC-UHFFFAOYSA-N 0 0 348.349 3.391 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCc2ccc(F)cc21 ZINC000593887144 460010308 /nfs/dbraw/zinc/01/03/08/460010308.db2.gz ONVJKBVGCCKGEK-NSHDSACASA-N 0 0 343.358 3.118 10 5 EGBERN CO[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000597632418 460013322 /nfs/dbraw/zinc/01/33/22/460013322.db2.gz PWQXSVOCAGPODL-KRWDZBQOSA-N 0 0 334.416 3.191 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000597692328 460029374 /nfs/dbraw/zinc/02/93/74/460029374.db2.gz QRFBTHREYRDBND-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598780098 460032217 /nfs/dbraw/zinc/03/22/17/460032217.db2.gz MVYDGPWCNJLTIS-UHFFFAOYSA-N 0 0 349.412 3.257 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1CSC1 ZINC000597746177 460045057 /nfs/dbraw/zinc/04/50/57/460045057.db2.gz LBMIBMUYOZNLFH-UHFFFAOYSA-N 0 0 326.443 3.188 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ccn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000593994656 460045561 /nfs/dbraw/zinc/04/55/61/460045561.db2.gz YPKKLZLJEJSDEB-GFCCVEGCSA-N 0 0 330.388 3.346 10 5 EGBERN Cc1cccc(COCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000598814632 460047557 /nfs/dbraw/zinc/04/75/57/460047557.db2.gz KLVCIZLBTRMDCF-UHFFFAOYSA-N 0 0 340.379 3.399 10 5 EGBERN CCN(C)C(=O)[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000576076490 460063261 /nfs/dbraw/zinc/06/32/61/460063261.db2.gz STADNESYIGKUGG-HNNXBMFYSA-N 0 0 330.388 3.058 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000618584716 460075570 /nfs/dbraw/zinc/07/55/70/460075570.db2.gz HNFPLGWVLMNUIJ-QGZVFWFLSA-N 0 0 338.367 3.439 10 5 EGBERN CCCc1nccnc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000598877769 460080950 /nfs/dbraw/zinc/08/09/50/460080950.db2.gz IVUFTWSYQUZDLM-UHFFFAOYSA-N 0 0 344.371 3.377 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000589375814 460081405 /nfs/dbraw/zinc/08/14/05/460081405.db2.gz ULUDOFBXTFBOOR-GFCCVEGCSA-N 0 0 343.330 3.393 10 5 EGBERN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597862702 460083543 /nfs/dbraw/zinc/08/35/43/460083543.db2.gz FLAPKAKBHOIQDY-GFCCVEGCSA-N 0 0 331.397 3.002 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2ccccn2)c1 ZINC000597861993 460084008 /nfs/dbraw/zinc/08/40/08/460084008.db2.gz AHPUNJYAVGCWCI-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594068791 460084525 /nfs/dbraw/zinc/08/45/25/460084525.db2.gz NNFADWCEIFDBAZ-WBVHZDCISA-N 0 0 348.399 3.071 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2cccnc21 ZINC000594072621 460087207 /nfs/dbraw/zinc/08/72/07/460087207.db2.gz VBPKFFROZJSCJD-GFCCVEGCSA-N 0 0 343.408 3.450 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594073992 460088355 /nfs/dbraw/zinc/08/83/55/460088355.db2.gz VQEBUPULUVKZOW-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN CNc1ccc(C(=O)Nc2cncc3c2CCCC3)cc1[N+](=O)[O-] ZINC000597873218 460090400 /nfs/dbraw/zinc/09/04/00/460090400.db2.gz FVGWWSXOLHCZCU-UHFFFAOYSA-N 0 0 326.356 3.163 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C(F)F)C2CCCCC2)c1[N+](=O)[O-] ZINC000598912624 460092167 /nfs/dbraw/zinc/09/21/67/460092167.db2.gz GDLDPBQVMHPCKW-NSHDSACASA-N 0 0 344.362 3.385 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(C(F)(F)F)CC2)c1 ZINC000589494098 460095539 /nfs/dbraw/zinc/09/55/39/460095539.db2.gz CKCMCXHQUKEKCW-UHFFFAOYSA-N 0 0 346.305 3.156 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594094081 460098465 /nfs/dbraw/zinc/09/84/65/460098465.db2.gz GIHPHWCGXPBWNC-NEPJUHHUSA-N 0 0 347.293 3.216 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C)c1OC ZINC000594107276 460103220 /nfs/dbraw/zinc/10/32/20/460103220.db2.gz BXRRUKDIAFCRRC-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000594105645 460103407 /nfs/dbraw/zinc/10/34/07/460103407.db2.gz PNGAKSHCIZWEJB-UHFFFAOYSA-N 0 0 328.368 3.459 10 5 EGBERN NC(=O)c1ccnc(N[C@H](CC2CC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589579588 460104271 /nfs/dbraw/zinc/10/42/71/460104271.db2.gz RSTPECSILMQSOW-CQSZACIVSA-N 0 0 326.356 3.042 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597919745 460110715 /nfs/dbraw/zinc/11/07/15/460110715.db2.gz PLWPNKIYJORGJN-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2ccco2)CC1 ZINC000597921686 460112873 /nfs/dbraw/zinc/11/28/73/460112873.db2.gz ICXGKCNOVLRJGM-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccccn1 ZINC000594141435 460124735 /nfs/dbraw/zinc/12/47/35/460124735.db2.gz OJDJBZJKMNHTNA-LLVKDONJSA-N 0 0 333.775 3.313 10 5 EGBERN O=C(CCNc1ccc2cnccc2c1[N+](=O)[O-])NC1CCCCC1 ZINC000599025969 460131194 /nfs/dbraw/zinc/13/11/94/460131194.db2.gz GINIVSCRFIFYFO-UHFFFAOYSA-N 0 0 342.399 3.394 10 5 EGBERN Cc1noc([C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)n1 ZINC000599026540 460131417 /nfs/dbraw/zinc/13/14/17/460131417.db2.gz HIUPOZMKLCYJQF-CYBMUJFWSA-N 0 0 339.355 3.218 10 5 EGBERN COc1cc(CN2CC(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000589736704 460133542 /nfs/dbraw/zinc/13/35/42/460133542.db2.gz CGIAPYLNWLULAS-UHFFFAOYSA-N 0 0 342.342 3.089 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnccc1C ZINC000597978918 460134653 /nfs/dbraw/zinc/13/46/53/460134653.db2.gz VPYMFHKJAYWHKZ-INIZCTEOSA-N 0 0 341.411 3.226 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594165706 460135523 /nfs/dbraw/zinc/13/55/23/460135523.db2.gz RHTYAFUFIJGFPW-YPMHNXCESA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCCO1 ZINC000594174339 460137582 /nfs/dbraw/zinc/13/75/82/460137582.db2.gz GQSUMEXXDVAODM-GOEBONIOSA-N 0 0 343.383 3.221 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(C2CCC2)CC1 ZINC000597995131 460139698 /nfs/dbraw/zinc/13/96/98/460139698.db2.gz OYYCPMBLAABMTP-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](CC)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594183170 460140095 /nfs/dbraw/zinc/14/00/95/460140095.db2.gz UENQFAPULPPKDD-CZUORRHYSA-N 0 0 335.404 3.104 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cscn1 ZINC000598013617 460143121 /nfs/dbraw/zinc/14/31/21/460143121.db2.gz ARRUWPUFYPJVLI-WCQYABFASA-N 0 0 333.413 3.497 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cscn1 ZINC000598014690 460144535 /nfs/dbraw/zinc/14/45/35/460144535.db2.gz LORQHXDQJLQEHZ-VHSXEESVSA-N 0 0 337.426 3.409 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](c2ccco2)C1 ZINC000589836931 460146046 /nfs/dbraw/zinc/14/60/46/460146046.db2.gz KYZPUPZGQWVEKT-JTQLQIEISA-N 0 0 336.294 3.025 10 5 EGBERN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594202164 460148168 /nfs/dbraw/zinc/14/81/68/460148168.db2.gz DZFLOABYZJZEQX-OAHLLOKOSA-N 0 0 346.427 3.478 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594206301 460151820 /nfs/dbraw/zinc/15/18/20/460151820.db2.gz LLOPPFGMGMHFJK-INIZCTEOSA-N 0 0 332.400 3.135 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](c2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000598066692 460159079 /nfs/dbraw/zinc/15/90/79/460159079.db2.gz FFKYCDHWQQHTHF-ZDUSSCGKSA-N 0 0 334.351 3.147 10 5 EGBERN CC1(C)Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000589923131 460160642 /nfs/dbraw/zinc/16/06/42/460160642.db2.gz BFDVGDBQLJYMFR-UHFFFAOYSA-N 0 0 346.408 3.372 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)c1 ZINC000599100775 460162090 /nfs/dbraw/zinc/16/20/90/460162090.db2.gz NQRREEWEZHKDAQ-AWEZNQCLSA-N 0 0 342.399 3.474 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000599104606 460163125 /nfs/dbraw/zinc/16/31/25/460163125.db2.gz FXOLXPDEYCUVEV-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599116418 460164542 /nfs/dbraw/zinc/16/45/42/460164542.db2.gz HPNYAXFKUNOFKA-CYBMUJFWSA-N 0 0 344.293 3.153 10 5 EGBERN CCOc1cc(NC[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599119510 460165750 /nfs/dbraw/zinc/16/57/50/460165750.db2.gz ZQTJGCGOBKFVOH-CYBMUJFWSA-N 0 0 344.293 3.406 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000599124941 460168276 /nfs/dbraw/zinc/16/82/76/460168276.db2.gz UPENQADVBVAHHB-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN CNc1nccc(C(=O)N[C@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000594245175 460169994 /nfs/dbraw/zinc/16/99/94/460169994.db2.gz PZSBLCNJURYCBI-GFCCVEGCSA-N 0 0 348.428 3.032 10 5 EGBERN CCCc1cncc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000599134821 460170265 /nfs/dbraw/zinc/17/02/65/460170265.db2.gz BIRWTQDPFAHUAU-UHFFFAOYSA-N 0 0 331.328 3.225 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530760 460178035 /nfs/dbraw/zinc/17/80/35/460178035.db2.gz AQRJYZLHLULGSU-IRXDYDNUSA-N 0 0 349.431 3.286 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000599155530 460180256 /nfs/dbraw/zinc/18/02/56/460180256.db2.gz DSBLQYWISOALQZ-UHFFFAOYSA-N 0 0 340.330 3.149 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000599156014 460181280 /nfs/dbraw/zinc/18/12/80/460181280.db2.gz QLGJXJFKZDAYCX-UHFFFAOYSA-N 0 0 331.319 3.260 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000599155861 460181589 /nfs/dbraw/zinc/18/15/89/460181589.db2.gz LLKGZDHTUOLOFK-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN O=[N+]([O-])c1sccc1N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599178853 460189491 /nfs/dbraw/zinc/18/94/91/460189491.db2.gz KWLYMELLHCCGLD-UHFFFAOYSA-N 0 0 342.424 3.460 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C(F)(F)F)CCCC2)n1 ZINC000599183838 460191728 /nfs/dbraw/zinc/19/17/28/460191728.db2.gz BHLAHPDWJPHFGS-UHFFFAOYSA-N 0 0 347.293 3.311 10 5 EGBERN CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1F ZINC000594381275 460200416 /nfs/dbraw/zinc/20/04/16/460200416.db2.gz FXEDGOMUNYRARY-GFCCVEGCSA-N 0 0 334.351 3.462 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598214877 460207263 /nfs/dbraw/zinc/20/72/63/460207263.db2.gz HCHGUMHHZPVDOB-CQSZACIVSA-N 0 0 328.315 3.159 10 5 EGBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594411074 460210621 /nfs/dbraw/zinc/21/06/21/460210621.db2.gz OHUXPKGFVKERDF-NSHDSACASA-N 0 0 341.358 3.337 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000598226296 460212644 /nfs/dbraw/zinc/21/26/44/460212644.db2.gz DFECBJBSYPMKGA-FZKQIMNGSA-N 0 0 332.400 3.001 10 5 EGBERN Cc1c(CC(=O)Nc2ccc3c(c2)CCOC3)cccc1[N+](=O)[O-] ZINC000598228577 460213844 /nfs/dbraw/zinc/21/38/44/460213844.db2.gz WUWHZWDTBBKKDK-UHFFFAOYSA-N 0 0 326.352 3.157 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000598232789 460215474 /nfs/dbraw/zinc/21/54/74/460215474.db2.gz RHFFXRUJAHRDQU-KRWDZBQOSA-N 0 0 346.408 3.469 10 5 EGBERN Cc1cccc(CC2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000610714085 460223078 /nfs/dbraw/zinc/22/30/78/460223078.db2.gz NQXKOGKFMRBLNC-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN CCOC(=O)c1cc(NC[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000610716081 460223436 /nfs/dbraw/zinc/22/34/36/460223436.db2.gz RUZLJJITLVWCDZ-GFCCVEGCSA-N 0 0 329.356 3.382 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000614830268 460230879 /nfs/dbraw/zinc/23/08/79/460230879.db2.gz ULVFAWMKIONAIF-ZDUSSCGKSA-N 0 0 333.310 3.154 10 5 EGBERN CO[C@]1(C(F)(F)F)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000614830138 460231285 /nfs/dbraw/zinc/23/12/85/460231285.db2.gz KYDAFGBOMJSLHX-LLVKDONJSA-N 0 0 339.701 3.191 10 5 EGBERN COC(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F ZINC000610863553 460250353 /nfs/dbraw/zinc/25/03/53/460250353.db2.gz BOOJMDJPQAGFQC-UHFFFAOYSA-N 0 0 343.270 3.238 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610950386 460265288 /nfs/dbraw/zinc/26/52/88/460265288.db2.gz LTLVWBFRTTUIIE-UHFFFAOYSA-N 0 0 334.416 3.429 10 5 EGBERN COC(=O)[C@@]1(NCc2csc([N+](=O)[O-])c2)CCCC(C)(C)C1 ZINC000599560863 460276421 /nfs/dbraw/zinc/27/64/21/460276421.db2.gz IGHQBVMRDRNBTB-OAHLLOKOSA-N 0 0 326.418 3.258 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000611117452 460291217 /nfs/dbraw/zinc/29/12/17/460291217.db2.gz ANCPGDUVINFNGN-VIFPVBQESA-N 0 0 332.809 3.024 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)c1ccncc1 ZINC000615200756 460292550 /nfs/dbraw/zinc/29/25/50/460292550.db2.gz MDJUVVGGZWSBSZ-NSHDSACASA-N 0 0 333.775 3.485 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000615203150 460292572 /nfs/dbraw/zinc/29/25/72/460292572.db2.gz CWULJRXOBYUFDK-GHMZBOCLSA-N 0 0 326.780 3.102 10 5 EGBERN CCc1cccc(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 ZINC000599655704 460299656 /nfs/dbraw/zinc/29/96/56/460299656.db2.gz WJLWCCNFHSJWHT-LJQANCHMSA-N 0 0 342.395 3.335 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599658172 460300734 /nfs/dbraw/zinc/30/07/34/460300734.db2.gz PTSFDXUXLUAARN-JTQLQIEISA-N 0 0 341.205 3.475 10 5 EGBERN Cn1ncc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1C(F)F ZINC000611182499 460303479 /nfs/dbraw/zinc/30/34/79/460303479.db2.gz HSKUDZDGSNZNLR-UHFFFAOYSA-N 0 0 345.309 3.493 10 5 EGBERN CNc1ccc(C(=O)N2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000611256243 460319128 /nfs/dbraw/zinc/31/91/28/460319128.db2.gz NMMZXQMNOAJWIU-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611300308 460332085 /nfs/dbraw/zinc/33/20/85/460332085.db2.gz LDLDJPWPINKQLY-LBPRGKRZSA-N 0 0 329.356 3.188 10 5 EGBERN CCC[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OCC ZINC000599801332 460336491 /nfs/dbraw/zinc/33/64/91/460336491.db2.gz ORVHOMRKXABJIU-JTQLQIEISA-N 0 0 344.799 3.157 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833806 460344600 /nfs/dbraw/zinc/34/46/00/460344600.db2.gz YNFMBORSJZWENU-NEPJUHHUSA-N 0 0 344.371 3.080 10 5 EGBERN CC(C)CC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835026 460344621 /nfs/dbraw/zinc/34/46/21/460344621.db2.gz SAPYQYJJPLHTCI-GFCCVEGCSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599834091 460344626 /nfs/dbraw/zinc/34/46/26/460344626.db2.gz FOXZZFZPLNHUFP-NEPJUHHUSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@H](C)C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835657 460345322 /nfs/dbraw/zinc/34/53/22/460345322.db2.gz YEHSBLQZVUNZRU-NWDGAFQWSA-N 0 0 346.387 3.062 10 5 EGBERN CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)C1 ZINC000599836216 460345378 /nfs/dbraw/zinc/34/53/78/460345378.db2.gz QBPFTVAKYVZFNG-RYUDHWBXSA-N 0 0 344.371 3.174 10 5 EGBERN CCOC(=O)[C@@H](CNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000611370565 460346346 /nfs/dbraw/zinc/34/63/46/460346346.db2.gz WNSJEMFMKULREP-CYBMUJFWSA-N 0 0 334.397 3.490 10 5 EGBERN COC(=O)[C@H](CNc1sccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000611412997 460359230 /nfs/dbraw/zinc/35/92/30/460359230.db2.gz REKKVLZNECPKHY-NSHDSACASA-N 0 0 338.360 3.239 10 5 EGBERN CSCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000619540925 460378384 /nfs/dbraw/zinc/37/83/84/460378384.db2.gz MRGHEZOQSUMEBR-UHFFFAOYSA-N 0 0 348.222 3.150 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1F ZINC000611507218 460381939 /nfs/dbraw/zinc/38/19/39/460381939.db2.gz YZUSKGZVPLSUEW-PRHODGIISA-N 0 0 334.269 3.434 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC2(C1)CC(F)(F)C2 ZINC000611515075 460383993 /nfs/dbraw/zinc/38/39/93/460383993.db2.gz JYTORDHBWZIZTD-UHFFFAOYSA-N 0 0 348.252 3.068 10 5 EGBERN C[C@H]1[C@H](Nc2ccsc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590166 460392151 /nfs/dbraw/zinc/39/21/51/460392151.db2.gz DRUSMGIEHSKIIH-SMDDNHRTSA-N 0 0 331.397 3.258 10 5 EGBERN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000619590192 460392360 /nfs/dbraw/zinc/39/23/60/460392360.db2.gz PUNZJHTULJKESA-DGCLKSJQSA-N 0 0 331.397 3.258 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](OC(F)F)C1 ZINC000611578388 460408488 /nfs/dbraw/zinc/40/84/88/460408488.db2.gz CDRQIWGLNIIFIO-ZDUSSCGKSA-N 0 0 330.331 3.197 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600162678 460414422 /nfs/dbraw/zinc/41/44/22/460414422.db2.gz VBYKHTNVSQWLBB-VNHYZAJKSA-N 0 0 330.384 3.110 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000611615860 460414435 /nfs/dbraw/zinc/41/44/35/460414435.db2.gz IUAKFDNZTBZEGX-SNVBAGLBSA-N 0 0 327.344 3.362 10 5 EGBERN Cc1noc(C)c1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618195 460416849 /nfs/dbraw/zinc/41/68/49/460416849.db2.gz QRFBBXWQPZHFDH-UHFFFAOYSA-N 0 0 341.270 3.078 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611667155 460426635 /nfs/dbraw/zinc/42/66/35/460426635.db2.gz BZZWUBSIBFPEML-WCBMZHEXSA-N 0 0 332.278 3.016 10 5 EGBERN O=[N+]([O-])c1sccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000604433419 460426793 /nfs/dbraw/zinc/42/67/93/460426793.db2.gz UXUHPPFWIXZNPK-UHFFFAOYSA-N 0 0 333.413 3.101 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186963 460427485 /nfs/dbraw/zinc/42/74/85/460427485.db2.gz WCQVVVPBCFYMCT-LBPRGKRZSA-N 0 0 347.321 3.288 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000600300643 460466480 /nfs/dbraw/zinc/46/64/80/460466480.db2.gz GDCZQJDMZZDONK-GOSISDBHSA-N 0 0 325.368 3.190 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000600300632 460467129 /nfs/dbraw/zinc/46/71/29/460467129.db2.gz FZVANGXMDVCMCI-GOSISDBHSA-N 0 0 341.367 3.026 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000611803304 460467436 /nfs/dbraw/zinc/46/74/36/460467436.db2.gz UHZVEAWABWKESV-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccco3)C2)c1 ZINC000600366291 460483374 /nfs/dbraw/zinc/48/33/74/460483374.db2.gz KMNBNZCYTVCDDN-UHFFFAOYSA-N 0 0 332.381 3.224 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000600444808 460496777 /nfs/dbraw/zinc/49/67/77/460496777.db2.gz KJFWXMBPONXGPU-ONQKKCPMSA-N 0 0 338.429 3.004 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000600442458 460496980 /nfs/dbraw/zinc/49/69/80/460496980.db2.gz PPNGGJGZNWAQHH-YCWTYVPXSA-N 0 0 326.780 3.098 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600490836 460505083 /nfs/dbraw/zinc/50/50/83/460505083.db2.gz WJHMIQBGZWCBAL-UHFFFAOYSA-N 0 0 339.273 3.140 10 5 EGBERN O=[N+]([O-])c1cn(C[C@@H]2CCC(F)(F)C2)nc1-c1ccc(F)cn1 ZINC000600544517 460517947 /nfs/dbraw/zinc/51/79/47/460517947.db2.gz JORNWOVNLMYELX-SECBINFHSA-N 0 0 326.278 3.428 10 5 EGBERN CCc1nnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000612087645 460534884 /nfs/dbraw/zinc/53/48/84/460534884.db2.gz QJAFFWUQHCAIFI-UHFFFAOYSA-N 0 0 348.428 3.052 10 5 EGBERN CC(C)c1nc([C@@H](CO)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000601187090 460743032 /nfs/dbraw/zinc/74/30/32/460743032.db2.gz NRAXNDIDLBHKCW-LLVKDONJSA-N 0 0 325.365 3.459 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000601189549 460745326 /nfs/dbraw/zinc/74/53/26/460745326.db2.gz RYTVCRJUIJXOJH-MRVPVSSYSA-N 0 0 338.669 3.176 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])cc21 ZINC000601204428 460749921 /nfs/dbraw/zinc/74/99/21/460749921.db2.gz MXXJWZCVWLXSNB-VIFPVBQESA-N 0 0 330.319 3.343 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCC(CCF)CC2)c([N+](=O)[O-])c1 ZINC000601217168 460754848 /nfs/dbraw/zinc/75/48/48/460754848.db2.gz BWZDTHFOBHDGJB-UHFFFAOYSA-N 0 0 337.395 3.309 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CNc3ccccc32)C1 ZINC000601245587 460763665 /nfs/dbraw/zinc/76/36/65/460763665.db2.gz IQAKKELBSVHGMY-SFHVURJKSA-N 0 0 338.367 3.196 10 5 EGBERN COC(=O)c1cc(C2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC000601251646 460765234 /nfs/dbraw/zinc/76/52/34/460765234.db2.gz BVEYULSEZOELDT-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN Cc1cnc(N2CC[C@@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])c1 ZINC000601255305 460765948 /nfs/dbraw/zinc/76/59/48/460765948.db2.gz BGLGTPMJDYZXRK-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN C[C@@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC[C@@H]1O ZINC000601277692 460773229 /nfs/dbraw/zinc/77/32/29/460773229.db2.gz YJYQTHDMZIAFLB-WMZOPIPTSA-N 0 0 346.427 3.074 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288857 460776909 /nfs/dbraw/zinc/77/69/09/460776909.db2.gz DMFXPFGJYFQERR-CVEARBPZSA-N 0 0 326.400 3.340 10 5 EGBERN O=C(N1CC(CC(F)(F)F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601315934 460786479 /nfs/dbraw/zinc/78/64/79/460786479.db2.gz QAWWCVRTELOBLV-UHFFFAOYSA-N 0 0 342.317 3.427 10 5 EGBERN O=C(NCC1(CCO)CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601325109 460789226 /nfs/dbraw/zinc/78/92/26/460789226.db2.gz FJLZBSMQGLOHBN-UHFFFAOYSA-N 0 0 346.427 3.076 10 5 EGBERN Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601362360 460795794 /nfs/dbraw/zinc/79/57/94/460795794.db2.gz MCIRVXWBQHRYPP-JTQLQIEISA-N 0 0 338.410 3.230 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000601438593 460810952 /nfs/dbraw/zinc/81/09/52/460810952.db2.gz CENBLXUWILXVIG-HNNXBMFYSA-N 0 0 336.363 3.155 10 5 EGBERN O=C(N1CCOCC2(CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601440416 460812089 /nfs/dbraw/zinc/81/20/89/460812089.db2.gz WAEMRJAOPKFBIJ-UHFFFAOYSA-N 0 0 344.411 3.046 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601566591 460835295 /nfs/dbraw/zinc/83/52/95/460835295.db2.gz TWZJOWRZIQRPNJ-RGNHYFCHSA-N 0 0 343.177 3.109 10 5 EGBERN O=C(N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC000601611286 460846401 /nfs/dbraw/zinc/84/64/01/460846401.db2.gz GSFXCCGPMSTWBZ-SUMDDJOVSA-N 0 0 344.411 3.260 10 5 EGBERN CCn1cc([C@@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601619265 460848259 /nfs/dbraw/zinc/84/82/59/460848259.db2.gz BYWQCDZNRMPKRZ-CYBMUJFWSA-N 0 0 342.399 3.110 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601652199 460857333 /nfs/dbraw/zinc/85/73/33/460857333.db2.gz AHAMVGIQVYLDJV-INIZCTEOSA-N 0 0 325.368 3.318 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601659053 460859853 /nfs/dbraw/zinc/85/98/53/460859853.db2.gz QSONIULLNVHUTL-DLBZAZTESA-N 0 0 347.415 3.084 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601659826 460860005 /nfs/dbraw/zinc/86/00/05/460860005.db2.gz OBHRWFLNCUAKQN-YOEHRIQHSA-N 0 0 339.395 3.500 10 5 EGBERN Cc1c(C(=O)N2CCC(Cc3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000601743345 460887116 /nfs/dbraw/zinc/88/71/16/460887116.db2.gz ODUIADRDZFCPEE-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN C[C@H](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782242 460895948 /nfs/dbraw/zinc/89/59/48/460895948.db2.gz XXLYRGQZNYMQBA-KUHUBIRLSA-N 0 0 342.395 3.112 10 5 EGBERN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601778634 460896433 /nfs/dbraw/zinc/89/64/33/460896433.db2.gz OLGTWVDFUSKXCX-SKDZVZGDSA-N 0 0 334.416 3.135 10 5 EGBERN C[C@](CO)(NC(=O)C1=CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601779417 460896460 /nfs/dbraw/zinc/89/64/60/460896460.db2.gz RKXTWMQJAPGVBF-GOSISDBHSA-N 0 0 332.400 3.055 10 5 EGBERN Cc1nn(C)c(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000601797362 460901379 /nfs/dbraw/zinc/90/13/79/460901379.db2.gz UFSKASFAKPEKQF-UHFFFAOYSA-N 0 0 348.790 3.228 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000601876270 460933645 /nfs/dbraw/zinc/93/36/45/460933645.db2.gz HYDMIOFDOWCKQY-DLBZAZTESA-N 0 0 346.427 3.336 10 5 EGBERN Cc1c(CC(=O)Nc2ccnn2CC2CCC2)cccc1[N+](=O)[O-] ZINC000601884790 460935867 /nfs/dbraw/zinc/93/58/67/460935867.db2.gz MNTXZUZPSDSZNU-UHFFFAOYSA-N 0 0 328.372 3.081 10 5 EGBERN C[C@H](C(=O)Nc1ccnn1CC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000601885684 460936695 /nfs/dbraw/zinc/93/66/95/460936695.db2.gz RPECRGXWHLHLDF-NSHDSACASA-N 0 0 346.362 3.473 10 5 EGBERN C[C@@H](C(=O)N1CCC(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617753192 460966701 /nfs/dbraw/zinc/96/67/01/460966701.db2.gz DAIVQPGAGJXPTJ-CQSZACIVSA-N 0 0 339.395 3.500 10 5 EGBERN COc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000610890337 469104818 /nfs/dbraw/zinc/10/48/18/469104818.db2.gz GLFKZTDINIGIJP-UHFFFAOYSA-N 0 0 339.355 3.011 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000493961595 518186836 /nfs/dbraw/zinc/18/68/36/518186836.db2.gz QNYMWTPNSUFYAJ-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000301595037 518202548 /nfs/dbraw/zinc/20/25/48/518202548.db2.gz YUWDNHPUHVQKCK-CHWSQXEVSA-N 0 0 331.372 3.178 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000175442189 536503209 /nfs/dbraw/zinc/50/32/09/536503209.db2.gz YNHBMDSPHBPFNY-SNVBAGLBSA-N 0 0 347.396 3.270 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000187740861 528065408 /nfs/dbraw/zinc/06/54/08/528065408.db2.gz NJKOFHSTJHTAFL-CQSZACIVSA-N 0 0 342.399 3.081 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000131970797 528606707 /nfs/dbraw/zinc/60/67/07/528606707.db2.gz KTNZEXMKIYGSIG-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CC[C@H](C)OCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182281909 529186306 /nfs/dbraw/zinc/18/63/06/529186306.db2.gz PLRDGKFLBGNTSD-QMMMGPOBSA-N 0 0 331.166 3.111 10 5 EGBERN CC[C@H](NC(=O)NC1(C2CC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363833408 536166446 /nfs/dbraw/zinc/16/64/46/536166446.db2.gz XOIAHRYYOXFSJJ-INIZCTEOSA-N 0 0 347.415 3.304 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3c(F)cccc3Cl)C2)cn1 ZINC000592004848 548103705 /nfs/dbraw/zinc/10/37/05/548103705.db2.gz BHEMZIUYSBFQDG-ZDUSSCGKSA-N 0 0 337.738 3.360 10 5 EGBERN COc1cc(OC)c(N)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000726206265 574545215 /nfs/dbraw/zinc/54/52/15/574545215.db2.gz BYSNAKBASYJHBM-JTQLQIEISA-N 0 0 346.339 3.112 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000728202039 574729459 /nfs/dbraw/zinc/72/94/59/574729459.db2.gz RLDNJAQHIBAPTC-MJBXVCDLSA-N 0 0 331.416 3.135 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(F)c(F)c1 ZINC000728201862 574729467 /nfs/dbraw/zinc/72/94/67/574729467.db2.gz SUFCTYMORGYCFX-SNVBAGLBSA-N 0 0 347.321 3.263 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cc(F)ccc1F ZINC000728202238 574729523 /nfs/dbraw/zinc/72/95/23/574729523.db2.gz XPLVVHDYRJSIJC-JTQLQIEISA-N 0 0 347.321 3.263 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000728252094 574733816 /nfs/dbraw/zinc/73/38/16/574733816.db2.gz CJLPDGAGOVCAMJ-OAHLLOKOSA-N 0 0 330.315 3.214 10 5 EGBERN Cc1cc(C(=O)NCCSCc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000729510216 574867794 /nfs/dbraw/zinc/86/77/94/574867794.db2.gz JHKMUHCIWAQDOB-UHFFFAOYSA-N 0 0 345.424 3.149 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592001525 574954301 /nfs/dbraw/zinc/95/43/01/574954301.db2.gz DUFPIABTZGQOMU-FPMFFAJLSA-N 0 0 340.383 3.160 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000730350671 574974999 /nfs/dbraw/zinc/97/49/99/574974999.db2.gz YVDJQPYXMVVIDN-CVEARBPZSA-N 0 0 327.336 3.450 10 5 EGBERN C[C@H](OC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000731574441 575083051 /nfs/dbraw/zinc/08/30/51/575083051.db2.gz XVSGDZQUFGTSOP-NSHDSACASA-N 0 0 342.351 3.492 10 5 EGBERN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OCC[C@@H]41 ZINC000006019180 571690393 /nfs/dbraw/zinc/69/03/93/571690393.db2.gz WSBZDTWHZJNGKQ-ZRNGKTOUSA-N 0 0 340.331 3.186 10 5 endogenous,in-man EGBERN C/C(=C\C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000731962115 575226913 /nfs/dbraw/zinc/22/69/13/575226913.db2.gz IDJGQRQBJLZQRS-ACCUITESSA-N 0 0 343.358 3.366 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000732942201 575297633 /nfs/dbraw/zinc/29/76/33/575297633.db2.gz LJRFKOVFONCFSG-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN O=C(CNc1ccccc1Cl)OCc1csc([N+](=O)[O-])c1 ZINC000733500391 575355823 /nfs/dbraw/zinc/35/58/23/575355823.db2.gz ZIMCDAUQSNSZTK-UHFFFAOYSA-N 0 0 326.761 3.465 10 5 EGBERN CCC/C=C\C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000735218882 575617282 /nfs/dbraw/zinc/61/72/82/575617282.db2.gz UXNAOTCXXATENJ-CNRJSHIUSA-N 0 0 346.383 3.099 10 5 EGBERN CC[C@H](C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000756418272 576114302 /nfs/dbraw/zinc/11/43/02/576114302.db2.gz LFSVZFJWOJENQF-QMMMGPOBSA-N 0 0 344.161 3.129 10 5 EGBERN CCCN(CCC)S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000742231575 576760068 /nfs/dbraw/zinc/76/00/68/576760068.db2.gz MKPYKCKUKCPCCE-UHFFFAOYSA-N 0 0 335.813 3.027 10 5 EGBERN C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000743205784 576803369 /nfs/dbraw/zinc/80/33/69/576803369.db2.gz UFHOUHFLLXHFPL-QMMMGPOBSA-N 0 0 337.307 3.332 10 5 EGBERN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000745331937 576845937 /nfs/dbraw/zinc/84/59/37/576845937.db2.gz SUGSEVGWXUESPP-JTQLQIEISA-N 0 0 333.344 3.122 10 5 EGBERN CCCCc1noc([C@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000745332937 576845963 /nfs/dbraw/zinc/84/59/63/576845963.db2.gz KBJCPIRALOINPO-NSHDSACASA-N 0 0 333.344 3.167 10 5 EGBERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000745455211 576848182 /nfs/dbraw/zinc/84/81/82/576848182.db2.gz FEKCKEIVIIQRLA-OAHLLOKOSA-N 0 0 349.431 3.474 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000698335854 1298167574 /nfs/dbraw/zinc/16/75/74/1298167574.db2.gz NVFIRHSFBWDQGG-QWRGUYRKSA-N 0 0 339.189 3.133 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Oc1ccccc1 ZINC000050824419 1291659384 /nfs/dbraw/zinc/65/93/84/1291659384.db2.gz VSVQLZVQVARKIC-SREVYHEPSA-N 0 0 327.292 3.080 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000096911757 1292955068 /nfs/dbraw/zinc/95/50/68/1292955068.db2.gz YCCOLZRALWFSJG-INIQLVOJSA-N 0 0 346.383 3.169 10 5 EGBERN Cc1c(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)oc2ccccc12 ZINC000115395412 1293188151 /nfs/dbraw/zinc/18/81/51/1293188151.db2.gz DUIKGYSCLUXMGL-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN COC(=O)CCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000161372923 1294290813 /nfs/dbraw/zinc/29/08/13/1294290813.db2.gz FTLFAWLNXNMWMJ-UHFFFAOYSA-N 0 0 349.774 3.213 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000870263510 1295772885 /nfs/dbraw/zinc/77/28/85/1295772885.db2.gz SUDOFGSKPVMBMO-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN COc1cncc(C(=O)O[C@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])c1C ZINC000870455319 1295881405 /nfs/dbraw/zinc/88/14/05/1295881405.db2.gz XBPCGJJCZYZADA-ZBEGNZNMSA-N 0 0 348.330 3.101 10 5 EGBERN CC1CCC(NC(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000208009557 1296096929 /nfs/dbraw/zinc/09/69/29/1296096929.db2.gz YNWZDMXFHVXKFJ-DAXSKMNVSA-N 0 0 346.383 3.169 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC2(C1)CCCCC2 ZINC000870830942 1296107571 /nfs/dbraw/zinc/10/75/71/1296107571.db2.gz NSIDBQPJZXONIR-UHFFFAOYSA-N 0 0 333.388 3.399 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1Cl ZINC000870830050 1296107608 /nfs/dbraw/zinc/10/76/08/1296107608.db2.gz VKZGLVWOMZASPE-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN COc1ccc(C2(OC(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000870840031 1296110951 /nfs/dbraw/zinc/11/09/51/1296110951.db2.gz GHNGDMCKKRHEBW-UHFFFAOYSA-N 0 0 343.335 3.215 10 5 EGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCCOC1 ZINC000224856200 1296135466 /nfs/dbraw/zinc/13/54/66/1296135466.db2.gz WEGJGIGYYUGHKK-JTQLQIEISA-N 0 0 344.161 3.118 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000871289372 1296320519 /nfs/dbraw/zinc/32/05/19/1296320519.db2.gz NZZKIOLZOAJPPW-SJKOYZFVSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000871309742 1296339171 /nfs/dbraw/zinc/33/91/71/1296339171.db2.gz JSFIZUWIUJITHM-YOEHRIQHSA-N 0 0 332.400 3.147 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000871583121 1296441792 /nfs/dbraw/zinc/44/17/92/1296441792.db2.gz LDAIUMDEPRFENR-GFCCVEGCSA-N 0 0 343.383 3.013 10 5 EGBERN CC1CCN(C(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000871694979 1296485414 /nfs/dbraw/zinc/48/54/14/1296485414.db2.gz UUMZYALGZNRQGI-UHFFFAOYSA-N 0 0 330.743 3.025 10 5 EGBERN CCN(CC(F)(F)F)C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000871803418 1296544878 /nfs/dbraw/zinc/54/48/78/1296544878.db2.gz BAMKIYMWCFYZRQ-UHFFFAOYSA-N 0 0 339.701 3.071 10 5 EGBERN CCNC(=O)c1ccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024085 1296669611 /nfs/dbraw/zinc/66/96/11/1296669611.db2.gz YGXCTGQNGIYNBR-GFCCVEGCSA-N 0 0 345.374 3.334 10 5 EGBERN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000872027701 1296673837 /nfs/dbraw/zinc/67/38/37/1296673837.db2.gz LKUZWNWRCHKDDX-QWHCGFSZSA-N 0 0 345.374 3.089 10 5 EGBERN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048788 1296698873 /nfs/dbraw/zinc/69/88/73/1296698873.db2.gz MHKHFDZASYTJQT-QVQLBTGDSA-N 0 0 336.388 3.322 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCCc2cccnc21 ZINC000872289732 1296899581 /nfs/dbraw/zinc/89/95/81/1296899581.db2.gz AVZKJKKDOIYKAQ-DLBZAZTESA-N 0 0 337.379 3.463 10 5 EGBERN C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000874091635 1297784187 /nfs/dbraw/zinc/78/41/87/1297784187.db2.gz AMDUNGDOJCIUHC-NILFDRSVSA-N 0 0 348.399 3.140 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1cccc([N+](=O)[O-])c1Br ZINC000876255458 1298656868 /nfs/dbraw/zinc/65/68/68/1298656868.db2.gz KJVFTWUGISORNB-VHSXEESVSA-N 0 0 345.168 3.368 10 5 EGBERN Cc1nc(NC2CC2)sc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000881435650 1301562915 /nfs/dbraw/zinc/56/29/15/1301562915.db2.gz JSASACXSAUSGOI-UHFFFAOYSA-N 0 0 346.412 3.172 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nccs2)C1 ZINC000881708672 1301701853 /nfs/dbraw/zinc/70/18/53/1301701853.db2.gz KFYWOZWIDDPSPR-AEGPPILISA-N 0 0 343.408 3.171 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(Cc2ccsc2)CC1 ZINC000881776483 1301717513 /nfs/dbraw/zinc/71/75/13/1301717513.db2.gz PQNJEGIFPPGSPN-UHFFFAOYSA-N 0 0 345.424 3.181 10 5 EGBERN CC(=O)c1c(NC[C@]23OCCC[C@H]2C3(F)F)cccc1[N+](=O)[O-] ZINC000882619087 1302036071 /nfs/dbraw/zinc/03/60/71/1302036071.db2.gz AXCOTRHIOQEKNH-OCCSQVGLSA-N 0 0 326.299 3.024 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC000886467821 1303471966 /nfs/dbraw/zinc/47/19/66/1303471966.db2.gz LNBFQYUYFMGNRT-RTGRKSDTSA-N 0 0 330.384 3.026 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000887485767 1303815769 /nfs/dbraw/zinc/81/57/69/1303815769.db2.gz WLIGYHNNTVPGKS-IYKCHKFDSA-N 0 0 330.384 3.072 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000888723127 1304251922 /nfs/dbraw/zinc/25/19/22/1304251922.db2.gz ARPSCROUMLLSHD-SXQUABRKSA-N 0 0 330.384 3.072 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000889885672 1304614967 /nfs/dbraw/zinc/61/49/67/1304614967.db2.gz MZULGGMNVGNGFK-BHYGNILZSA-N 0 0 331.416 3.357 10 5 EGBERN C/C(=C/C(=O)N1CCOC[C@]1(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000890589875 1304827305 /nfs/dbraw/zinc/82/73/05/1304827305.db2.gz WZXIRXFDDBTZOG-FWFZHJKVSA-N 0 0 330.384 3.026 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000890767083 1304875962 /nfs/dbraw/zinc/87/59/62/1304875962.db2.gz LUFXYAZIDBBGTO-MWLCHTKSSA-N 0 0 326.299 3.281 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893500527 1305933740 /nfs/dbraw/zinc/93/37/40/1305933740.db2.gz MGIMJQCNWYBLCJ-AWEZNQCLSA-N 0 0 346.305 3.005 10 5 EGBERN COCC1CC(OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000893635400 1305998172 /nfs/dbraw/zinc/99/81/72/1305998172.db2.gz DXZJBCAJCZHGRB-UHFFFAOYSA-N 0 0 348.380 3.300 10 5 EGBERN C[C@@H]1Cn2nccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000893902600 1306122405 /nfs/dbraw/zinc/12/24/05/1306122405.db2.gz BTRAAORJXVVGEM-JTQLQIEISA-N 0 0 342.380 3.303 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC3(CCC3)CO2)c1C ZINC000894524382 1308936359 /nfs/dbraw/zinc/93/63/59/1308936359.db2.gz MRJOZMCLBMZHLD-CQSZACIVSA-N 0 0 332.400 3.291 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC3(CCC3)CO2)c1C ZINC000894524381 1308936751 /nfs/dbraw/zinc/93/67/51/1308936751.db2.gz MRJOZMCLBMZHLD-AWEZNQCLSA-N 0 0 332.400 3.291 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000894525005 1308937302 /nfs/dbraw/zinc/93/73/02/1308937302.db2.gz BMXUPSRLXGAGKT-YESZJQIVSA-N 0 0 344.411 3.164 10 5 EGBERN C[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894652134 1309003527 /nfs/dbraw/zinc/00/35/27/1309003527.db2.gz GCFVKSSFEHRYDY-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894664574 1309012310 /nfs/dbraw/zinc/01/23/10/1309012310.db2.gz YFVRNLVDJJNOOD-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN CC(=O)c1ccc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000895446978 1309340805 /nfs/dbraw/zinc/34/08/05/1309340805.db2.gz VKUAIXSBPIEEGC-MFKMUULPSA-N 0 0 332.278 3.319 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(F)(F)F)nn1C ZINC000896062144 1309679057 /nfs/dbraw/zinc/67/90/57/1309679057.db2.gz BOWFDSIWNDSUSE-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[C@H]3C(F)(F)F)cc2N1 ZINC000896094420 1309696063 /nfs/dbraw/zinc/69/60/63/1309696063.db2.gz ZHWMMKGBOVWJIJ-DTWKUNHWSA-N 0 0 329.278 3.090 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898409602 1310720992 /nfs/dbraw/zinc/72/09/92/1310720992.db2.gz HQBWOAIYAFJQEU-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN CCOc1cc(OCc2cc(C(F)(F)F)n(C)n2)ccc1[N+](=O)[O-] ZINC000917551171 1319834704 /nfs/dbraw/zinc/83/47/04/1319834704.db2.gz CHHSUKNHJXXIJB-UHFFFAOYSA-N 0 0 345.277 3.325 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000857578349 1328552760 /nfs/dbraw/zinc/55/27/60/1328552760.db2.gz JCVFVVVFZAVQEZ-HOTGVXAUSA-N 0 0 327.336 3.239 10 5 EGBERN CSC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000857599582 1328560512 /nfs/dbraw/zinc/56/05/12/1328560512.db2.gz GHCGQVDJRNBOPI-UHFFFAOYSA-N 0 0 333.207 3.437 10 5 EGBERN Cc1cc(F)cc(C(=O)NCC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000857689372 1328584975 /nfs/dbraw/zinc/58/49/75/1328584975.db2.gz SOZBAWRUNILELI-MRVPVSSYSA-N 0 0 335.162 3.356 10 5 EGBERN Cn1cc2c(n1)CCC[C@H]2Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000857899079 1328619181 /nfs/dbraw/zinc/61/91/81/1328619181.db2.gz SXZQDLZHNSWOGD-CQSZACIVSA-N 0 0 327.388 3.092 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857952184 1328639491 /nfs/dbraw/zinc/63/94/91/1328639491.db2.gz BQVUHPZYOKNGOM-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858008375 1328655454 /nfs/dbraw/zinc/65/54/54/1328655454.db2.gz KEWSVPZKSKKYNA-GFCCVEGCSA-N 0 0 335.310 3.234 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035985 1328667074 /nfs/dbraw/zinc/66/70/74/1328667074.db2.gz CGZDFTDGMHZBEK-CYBMUJFWSA-N 0 0 331.347 3.091 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000899435173 1317035643 /nfs/dbraw/zinc/03/56/43/1317035643.db2.gz DXTBTIBGBHUXSS-SJLPKXTDSA-N 0 0 332.400 3.095 10 5 EGBERN CNc1c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000899488436 1317052908 /nfs/dbraw/zinc/05/29/08/1317052908.db2.gz QFORXBJKXKZNLV-QGZVFWFLSA-N 0 0 347.415 3.106 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929872413 1328726181 /nfs/dbraw/zinc/72/61/81/1328726181.db2.gz WAQLWJMZZXWALO-CABCVRRESA-N 0 0 345.786 3.405 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000930099464 1328784818 /nfs/dbraw/zinc/78/48/18/1328784818.db2.gz LAJBVXLVVGSDIW-SMDDNHRTSA-N 0 0 330.306 3.063 10 5 EGBERN CC(C)(C(=O)N1CC(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913379392 1319017807 /nfs/dbraw/zinc/01/78/07/1319017807.db2.gz ABOIBRFOWLIRFF-UHFFFAOYSA-N 0 0 343.358 3.033 10 5 EGBERN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385136 1319020012 /nfs/dbraw/zinc/02/00/12/1319020012.db2.gz QSRZYUIBQNYGAU-GZMMTYOYSA-N 0 0 342.754 3.009 10 5 EGBERN CC[C@@H](C)[C@@H](OC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385199 1319020268 /nfs/dbraw/zinc/02/02/68/1319020268.db2.gz SUHZQVRRHHIJLG-AMIZOPFISA-N 0 0 332.759 3.065 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCSCC1 ZINC000913384939 1319020286 /nfs/dbraw/zinc/02/02/86/1319020286.db2.gz KDRODFZORAWPQM-UHFFFAOYSA-N 0 0 332.784 3.147 10 5 EGBERN CC(C)CO[C@@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385731 1319021577 /nfs/dbraw/zinc/02/15/77/1319021577.db2.gz CHPLORSPHJGJGC-VIFPVBQESA-N 0 0 332.759 3.065 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387723 1319022021 /nfs/dbraw/zinc/02/20/21/1319022021.db2.gz QYCOQYJECMCBPQ-DQDDRIPDSA-N 0 0 326.755 3.296 10 5 EGBERN CC(C)OC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913387713 1319022938 /nfs/dbraw/zinc/02/29/38/1319022938.db2.gz QXGVARXJTKARNL-UHFFFAOYSA-N 0 0 344.770 3.351 10 5 EGBERN C[C@](CO)(NC(=O)[C@H]1CCC=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000913659720 1319089982 /nfs/dbraw/zinc/08/99/82/1319089982.db2.gz LCPGWVVZCKEMRA-KBXCAEBGSA-N 0 0 332.400 3.055 10 5 EGBERN COCC(C)(C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913796051 1319128300 /nfs/dbraw/zinc/12/83/00/1319128300.db2.gz QXTSMVXXUWBKNW-UHFFFAOYSA-N 0 0 332.759 3.180 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000913977584 1319203126 /nfs/dbraw/zinc/20/31/26/1319203126.db2.gz PDFSJJYBXYTHDE-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000914238217 1319273554 /nfs/dbraw/zinc/27/35/54/1319273554.db2.gz APXXKLOFAUOHQX-NUTKFTJISA-N 0 0 347.415 3.160 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000858653043 1328818245 /nfs/dbraw/zinc/81/82/45/1328818245.db2.gz JOXNXRFQXMCPPA-VSKVDJIOSA-N 0 0 334.372 3.010 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCC(C)(C)CO2)c1F ZINC000914297047 1319288589 /nfs/dbraw/zinc/28/85/89/1319288589.db2.gz ROTFZRIKTRNTTB-JTQLQIEISA-N 0 0 342.342 3.116 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1Cc2ccccc2CO1 ZINC000858660189 1328820714 /nfs/dbraw/zinc/82/07/14/1328820714.db2.gz VFFBFTHYJIXRPT-INIZCTEOSA-N 0 0 326.352 3.351 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000914786105 1319378733 /nfs/dbraw/zinc/37/87/33/1319378733.db2.gz NCCPIHCNIUZYHV-WMADIVHISA-N 0 0 330.340 3.417 10 5 EGBERN Cc1c(Cc2noc(Cn3ccc(C(F)F)n3)n2)cccc1[N+](=O)[O-] ZINC000858721166 1328840553 /nfs/dbraw/zinc/84/05/53/1328840553.db2.gz OXAZTUFDMPXPLT-UHFFFAOYSA-N 0 0 349.297 3.059 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000916402086 1319648486 /nfs/dbraw/zinc/64/84/86/1319648486.db2.gz MTTDVFHYYIXCOQ-OAHLLOKOSA-N 0 0 333.727 3.466 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000858737408 1328847182 /nfs/dbraw/zinc/84/71/82/1328847182.db2.gz XOUGIAHRXHFPBP-ZDUSSCGKSA-N 0 0 327.340 3.207 10 5 EGBERN CC(C)c1nsc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000916954967 1319727699 /nfs/dbraw/zinc/72/76/99/1319727699.db2.gz CTXSNEKQKIBYHC-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN Cc1c(Br)c(=O)n(C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000917468152 1319816137 /nfs/dbraw/zinc/81/61/37/1319816137.db2.gz KBBVDWJUUWUYGJ-UHFFFAOYSA-N 0 0 327.178 3.333 10 5 EGBERN Cc1ccc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])c1Br ZINC000858797200 1328864040 /nfs/dbraw/zinc/86/40/40/1328864040.db2.gz GJBYNIWJTOCYLE-JTQLQIEISA-N 0 0 347.184 3.231 10 5 EGBERN CN(OCC(F)(F)F)c1cccc(Br)c1[N+](=O)[O-] ZINC000858869863 1328880146 /nfs/dbraw/zinc/88/01/46/1328880146.db2.gz PTTZLYCTDXXSLF-UHFFFAOYSA-N 0 0 329.072 3.287 10 5 EGBERN CCN(C[C@H]1CCOC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930685929 1328937355 /nfs/dbraw/zinc/93/73/55/1328937355.db2.gz WETXOPIDEAAWJO-GFCCVEGCSA-N 0 0 340.807 3.066 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000859297356 1328964332 /nfs/dbraw/zinc/96/43/32/1328964332.db2.gz YMAQVCLDWPSQBA-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000859297547 1328964368 /nfs/dbraw/zinc/96/43/68/1328964368.db2.gz JWARQPCLXSDNKR-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000859432619 1328986388 /nfs/dbraw/zinc/98/63/88/1328986388.db2.gz YLBFAARKOGMYMN-KXMPLOMGSA-N 0 0 330.431 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000930861182 1328990336 /nfs/dbraw/zinc/99/03/36/1328990336.db2.gz ADZNZBPVVWAYKD-CJNGLKHVSA-N 0 0 333.388 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Cc2nccs2)C1 ZINC000930882579 1328995757 /nfs/dbraw/zinc/99/57/57/1328995757.db2.gz HXYRWPNQRCYMLG-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(Cc1cnn(-c2ccccc2)c1)OCc1csc([N+](=O)[O-])c1 ZINC000918939653 1322014080 /nfs/dbraw/zinc/01/40/80/1322014080.db2.gz IFQKGWYRXHUIMD-UHFFFAOYSA-N 0 0 343.364 3.128 10 5 EGBERN Cc1sc(C(=O)OCC(=O)N(C)[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000919069323 1322025313 /nfs/dbraw/zinc/02/53/13/1322025313.db2.gz FPEZTRZIJMQTBP-JTQLQIEISA-N 0 0 342.417 3.015 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CCC[C@@H]3CCOC3)n2)c1 ZINC000920416994 1322175194 /nfs/dbraw/zinc/17/51/94/1322175194.db2.gz HICPNLWWFBRTQW-LLVKDONJSA-N 0 0 336.779 3.323 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCOC[C@@H]2CC2CC2)cc1[N+](=O)[O-] ZINC000921337918 1322295754 /nfs/dbraw/zinc/29/57/54/1322295754.db2.gz XTRVPNZAKRJSCL-BBRMVZONSA-N 0 0 347.415 3.175 10 5 EGBERN CCOc1ccc(C(=O)N2CCC3(CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000922075309 1322449408 /nfs/dbraw/zinc/44/94/08/1322449408.db2.gz ACCTXKGBSPMSSY-UHFFFAOYSA-N 0 0 348.399 3.169 10 5 EGBERN CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000922143597 1322465522 /nfs/dbraw/zinc/46/55/22/1322465522.db2.gz YLWJBWMKVXMYDJ-MFKMUULPSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1ccc(C(=O)OCc2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000922172428 1322471404 /nfs/dbraw/zinc/47/14/04/1322471404.db2.gz PDNYDRYCUICRQE-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN CC1(C)CC(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])C1 ZINC000859621338 1329037196 /nfs/dbraw/zinc/03/71/96/1329037196.db2.gz SXGYVJMTEFZRNK-UHFFFAOYSA-N 0 0 343.177 3.345 10 5 EGBERN O=C(OC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000922529965 1322550464 /nfs/dbraw/zinc/55/04/64/1322550464.db2.gz QSJXYFMSYPVGHB-TZMCWYRMSA-N 0 0 334.278 3.196 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000922646687 1322579500 /nfs/dbraw/zinc/57/95/00/1322579500.db2.gz XTBMGJWYDDMMJB-LRDDRELGSA-N 0 0 340.383 3.428 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922684825 1322590204 /nfs/dbraw/zinc/59/02/04/1322590204.db2.gz USEGFGDNTCYWLO-JGPRNRPPSA-N 0 0 341.310 3.442 10 5 EGBERN C[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000923065055 1322685898 /nfs/dbraw/zinc/68/58/98/1322685898.db2.gz ZQXMQUSYOZRXTR-NOZJJQNGSA-N 0 0 347.289 3.472 10 5 EGBERN COc1c(C)cccc1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000923118885 1322695918 /nfs/dbraw/zinc/69/59/18/1322695918.db2.gz JZYZNYHQHNLTOH-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000923423362 1322748857 /nfs/dbraw/zinc/74/88/57/1322748857.db2.gz BRFWAVNLHYHOIF-AWEZNQCLSA-N 0 0 349.383 3.256 10 5 EGBERN O=C(COC(=O)[C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000923423019 1322749227 /nfs/dbraw/zinc/74/92/27/1322749227.db2.gz YMIISZRTKDEDBI-CQSZACIVSA-N 0 0 347.367 3.060 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000923427132 1322749495 /nfs/dbraw/zinc/74/94/95/1322749495.db2.gz RWZHPVBTRHZLBW-GFCCVEGCSA-N 0 0 325.386 3.439 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1CCC[C@@H](O)C1 ZINC000923598501 1322779265 /nfs/dbraw/zinc/77/92/65/1322779265.db2.gz KMSYFSZFOTYUEJ-BXUZGUMPSA-N 0 0 341.791 3.275 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCc1ccc([N+](=O)[O-])cc1 ZINC000923723814 1322798023 /nfs/dbraw/zinc/79/80/23/1322798023.db2.gz CJFGJMFABSGUGG-NWDGAFQWSA-N 0 0 333.262 3.138 10 5 EGBERN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000923879434 1322833967 /nfs/dbraw/zinc/83/39/67/1322833967.db2.gz XXZDGWOZFNRZIH-UHFFFAOYSA-N 0 0 345.355 3.142 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1ncc(C2CC2)o1 ZINC000923962244 1322857039 /nfs/dbraw/zinc/85/70/39/1322857039.db2.gz IYKMFAHPSLNICP-UHFFFAOYSA-N 0 0 334.303 3.275 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000923963508 1322857378 /nfs/dbraw/zinc/85/73/78/1322857378.db2.gz UMGDVEDZROFGEL-PHIMTYICSA-N 0 0 327.764 3.149 10 5 EGBERN Cc1c(-c2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000924092969 1322898374 /nfs/dbraw/zinc/89/83/74/1322898374.db2.gz LEHMHMNDOHIIQJ-WFASDCNBSA-N 0 0 329.356 3.453 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000924353041 1322993111 /nfs/dbraw/zinc/99/31/11/1322993111.db2.gz OEQBHSCIAAUHFG-NHYWBVRUSA-N 0 0 341.310 3.264 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1-c1nc(-c2cnn(CCF)c2)no1 ZINC000924398862 1323007635 /nfs/dbraw/zinc/00/76/35/1323007635.db2.gz FFLWLRAXXRXXEY-UHFFFAOYSA-N 0 0 331.307 3.095 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000924465462 1323030200 /nfs/dbraw/zinc/03/02/00/1323030200.db2.gz NYYXWXKCEMEFQU-RNCFNFMXSA-N 0 0 342.754 3.028 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000924494338 1323037672 /nfs/dbraw/zinc/03/76/72/1323037672.db2.gz MQCYDKHKJDVATM-CMPLNLGQSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859733391 1329066373 /nfs/dbraw/zinc/06/63/73/1329066373.db2.gz NUNVCIGSZHMLOT-ZIAGYGMSSA-N 0 0 335.331 3.286 10 5 EGBERN CC(C)=CC[C@@H]1NC(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000924803746 1323168776 /nfs/dbraw/zinc/16/87/76/1323168776.db2.gz VWSNOKNHWRAZBO-ZDUSSCGKSA-N 0 0 337.763 3.025 10 5 EGBERN C[C@@H](CNC(=O)Nc1cccc2c1CCO2)c1ccccc1[N+](=O)[O-] ZINC000931219367 1329073494 /nfs/dbraw/zinc/07/34/94/1329073494.db2.gz IXTZFQJOZXXHMO-LBPRGKRZSA-N 0 0 341.367 3.455 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000860070084 1329140209 /nfs/dbraw/zinc/14/02/09/1329140209.db2.gz JZDVCUUCMICHCQ-LBPRGKRZSA-N 0 0 325.336 3.371 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000931610764 1329153388 /nfs/dbraw/zinc/15/33/88/1329153388.db2.gz QTSCJQZXFFASJS-IAQYHMDHSA-N 0 0 337.351 3.061 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC12CC2 ZINC000860180606 1329167986 /nfs/dbraw/zinc/16/79/86/1329167986.db2.gz RPVDIGQYNBOPNT-ZDUSSCGKSA-N 0 0 343.339 3.268 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925247544 1325095864 /nfs/dbraw/zinc/09/58/64/1325095864.db2.gz NGTWJEFWPVRQDB-YVLXSGLVSA-N 0 0 339.342 3.343 10 5 EGBERN C[C@H](CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(F)(F)F ZINC000860317643 1329304063 /nfs/dbraw/zinc/30/40/63/1329304063.db2.gz CWTSFHUSGPDOHZ-MRVPVSSYSA-N 0 0 349.261 3.093 10 5 EGBERN CCC1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOCC1 ZINC000860477784 1329322086 /nfs/dbraw/zinc/32/20/86/1329322086.db2.gz LWGNVZBZFFBXKN-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN C[C@H]1CC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000860522489 1329326999 /nfs/dbraw/zinc/32/69/99/1329326999.db2.gz OBGOMZNRPDNHEF-RYUDHWBXSA-N 0 0 328.368 3.434 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@]12C[C@@H]1CCCC2 ZINC000927435399 1328024966 /nfs/dbraw/zinc/02/49/66/1328024966.db2.gz ALAYUHOJGJNMRU-SCLBCKFNSA-N 0 0 327.384 3.315 10 5 EGBERN O=C(CCOCC1CC1)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000861181038 1329395176 /nfs/dbraw/zinc/39/51/76/1329395176.db2.gz WJZCBJNWDBYCBK-UHFFFAOYSA-N 0 0 344.161 3.079 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000927729189 1328122201 /nfs/dbraw/zinc/12/22/01/1328122201.db2.gz SEKJEBKYAMOQOQ-OAHLLOKOSA-N 0 0 347.415 3.228 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000928186641 1328225506 /nfs/dbraw/zinc/22/55/06/1328225506.db2.gz MLWVIOCADMKRGW-NSHDSACASA-N 0 0 348.790 3.002 10 5 EGBERN C[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000928247583 1328254260 /nfs/dbraw/zinc/25/42/60/1328254260.db2.gz YJIKZOTYNUSNFH-BXUZGUMPSA-N 0 0 344.342 3.162 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cc(F)ccc1OC ZINC000928783663 1328437233 /nfs/dbraw/zinc/43/72/33/1328437233.db2.gz HAKZOQXHJYCCGP-OAHLLOKOSA-N 0 0 347.346 3.327 10 5 EGBERN CCc1cc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[nH]1 ZINC000861444507 1329418764 /nfs/dbraw/zinc/41/87/64/1329418764.db2.gz OWDWDOQRNNZGAC-GFCCVEGCSA-N 0 0 343.261 3.341 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cc1[N+](=O)[O-] ZINC000929118100 1328508964 /nfs/dbraw/zinc/50/89/64/1328508964.db2.gz FIPUYCLFMAERFM-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCCC[C@@H]1CCO ZINC000861591059 1329428987 /nfs/dbraw/zinc/42/89/87/1329428987.db2.gz YVGWCIDDPLKJIF-LLVKDONJSA-N 0 0 326.780 3.015 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862128068 1329460700 /nfs/dbraw/zinc/46/07/00/1329460700.db2.gz YLUOVMORSCMGBB-SWLSCSKDSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(NCC(O)(C1CC1)C1CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862208273 1329465632 /nfs/dbraw/zinc/46/56/32/1329465632.db2.gz YURSRKRXCIPORX-UHFFFAOYSA-N 0 0 340.379 3.029 10 5 EGBERN O=C(NCC1CCC(O)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862218081 1329466592 /nfs/dbraw/zinc/46/65/92/1329466592.db2.gz CLOBSPSWVKSPLW-UHFFFAOYSA-N 0 0 328.368 3.029 10 5 EGBERN CC(C)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862780486 1329508624 /nfs/dbraw/zinc/50/86/24/1329508624.db2.gz SDWSUYDQZIXLDA-AWEZNQCLSA-N 0 0 330.384 3.275 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000862845213 1329514503 /nfs/dbraw/zinc/51/45/03/1329514503.db2.gz GIVKVSYYNXUWFN-AHKGRUIUSA-N 0 0 332.400 3.056 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCO[C@@H]2CCC[C@@H]21 ZINC000862860783 1329515811 /nfs/dbraw/zinc/51/58/11/1329515811.db2.gz PIPLDCGDLVWFRD-DLBZAZTESA-N 0 0 326.352 3.142 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCCOC1CCOCC1 ZINC000863327911 1329546688 /nfs/dbraw/zinc/54/66/88/1329546688.db2.gz CKZHWXHDBQYJFX-UHFFFAOYSA-N 0 0 336.171 3.476 10 5 EGBERN C/C=C/C[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341017 1329548612 /nfs/dbraw/zinc/54/86/12/1329548612.db2.gz TVEUGRWVJNXKMN-IBUXWKBASA-N 0 0 331.372 3.138 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000863590337 1329565096 /nfs/dbraw/zinc/56/50/96/1329565096.db2.gz IYWCRJOKRAUEPV-LRDDRELGSA-N 0 0 333.344 3.216 10 5 EGBERN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000864681446 1329637927 /nfs/dbraw/zinc/63/79/27/1329637927.db2.gz FLMWRJOVZBLMKO-UHFFFAOYSA-N 0 0 341.205 3.301 10 5 EGBERN CCC(C)(C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864722635 1329639920 /nfs/dbraw/zinc/63/99/20/1329639920.db2.gz NVRCOLOFDUDLBP-UHFFFAOYSA-N 0 0 329.194 3.205 10 5 EGBERN C[C@H](Cc1ccco1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864831365 1329645593 /nfs/dbraw/zinc/64/55/93/1329645593.db2.gz HDMIIMVPRNHSMU-CYBMUJFWSA-N 0 0 328.368 3.357 10 5 EGBERN CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000864951951 1329654954 /nfs/dbraw/zinc/65/49/54/1329654954.db2.gz BVYNWUOKPBUDDL-UHFFFAOYSA-N 0 0 329.194 3.157 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCC23CCOCC3)cc1 ZINC000865265074 1329681392 /nfs/dbraw/zinc/68/13/92/1329681392.db2.gz RCRHFWMZEHPXBR-GFCCVEGCSA-N 0 0 335.429 3.088 10 5 EGBERN Cc1cc(OC[C@H]2CC3(CO2)CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000865363875 1329688986 /nfs/dbraw/zinc/68/89/86/1329688986.db2.gz WQUYXTDMDXQYDX-GFCCVEGCSA-N 0 0 325.336 3.007 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C3(C)OCCO3)c2)n1 ZINC000865922687 1329752015 /nfs/dbraw/zinc/75/20/15/1329752015.db2.gz MFSYFIMKZUWJJM-UHFFFAOYSA-N 0 0 343.383 3.438 10 5 EGBERN CC1CC(n2nnc3c2CN(c2ccc([N+](=O)[O-])cc2Cl)CC3)C1 ZINC000866069574 1330061958 /nfs/dbraw/zinc/06/19/58/1330061958.db2.gz ATQZMTIRFCRINL-UHFFFAOYSA-N 0 0 347.806 3.373 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(OC(F)F)cc1F ZINC000866183418 1330074884 /nfs/dbraw/zinc/07/48/84/1330074884.db2.gz YOZAAYACXRUQTF-UHFFFAOYSA-N 0 0 344.293 3.472 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nc(C4CCC4)no3)CC2)nc1 ZINC000866199048 1330077207 /nfs/dbraw/zinc/07/72/07/1330077207.db2.gz HNWFGWLVUXYQME-UHFFFAOYSA-N 0 0 329.360 3.024 10 5 EGBERN COc1ccccc1[C@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CCO1 ZINC000866231879 1330081331 /nfs/dbraw/zinc/08/13/31/1330081331.db2.gz AJKMDKINVGZBDX-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000866272393 1330088889 /nfs/dbraw/zinc/08/88/89/1330088889.db2.gz NRTOOQNXYAKXDW-AWEZNQCLSA-N 0 0 344.415 3.419 10 5 EGBERN Nc1ccc2c(c1)OCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000866689155 1330141280 /nfs/dbraw/zinc/14/12/80/1330141280.db2.gz FOXWGPZJTVDIRC-UHFFFAOYSA-N 0 0 333.775 3.225 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000867985190 1330236171 /nfs/dbraw/zinc/23/61/71/1330236171.db2.gz VSEBPQDWKCTEQX-ZDUSSCGKSA-N 0 0 331.372 3.317 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([C@H]2CCCCO2)CCC1 ZINC000868112433 1330250767 /nfs/dbraw/zinc/25/07/67/1330250767.db2.gz IKTGQLYSMONXLB-QGZVFWFLSA-N 0 0 346.427 3.335 10 5 EGBERN O=C(C1CC2(CSC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000868711621 1330321653 /nfs/dbraw/zinc/32/16/53/1330321653.db2.gz TVAKPQVDSGCURO-AWEZNQCLSA-N 0 0 346.452 3.444 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000869053532 1330403258 /nfs/dbraw/zinc/40/32/58/1330403258.db2.gz BVVLGTOYWOQEQT-INIZCTEOSA-N 0 0 347.415 3.146 10 5 EGBERN COc1ccc(CN(C)C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000869053897 1330404125 /nfs/dbraw/zinc/40/41/25/1330404125.db2.gz XMHXWFALKMVHIQ-UHFFFAOYSA-N 0 0 343.383 3.253 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1cccc(F)c1[N+](=O)[O-])CCO2 ZINC000869148173 1330424886 /nfs/dbraw/zinc/42/48/86/1330424886.db2.gz YKLDLIHSFVGKTA-UHFFFAOYSA-N 0 0 344.342 3.319 10 5 EGBERN CC1(C)C[C@@]1(C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869289597 1330454428 /nfs/dbraw/zinc/45/44/28/1330454428.db2.gz NXPSXKCGMZSUON-CQSZACIVSA-N 0 0 341.205 3.205 10 5 EGBERN CCCOc1cncc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000869420301 1330488307 /nfs/dbraw/zinc/48/83/07/1330488307.db2.gz GDTJNOSKZKSAFU-UHFFFAOYSA-N 0 0 333.319 3.099 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1cnn2c1CCCC2 ZINC000869590328 1330529083 /nfs/dbraw/zinc/52/90/83/1330529083.db2.gz HHTOHJPZBZOJPO-ZDUSSCGKSA-N 0 0 343.383 3.283 10 5 EGBERN COCc1sccc1C(=O)OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000869805269 1330567305 /nfs/dbraw/zinc/56/73/05/1330567305.db2.gz WNXIRWMTBAYRNF-UHFFFAOYSA-N 0 0 337.353 3.168 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)nc2C1 ZINC000869856179 1330577336 /nfs/dbraw/zinc/57/73/36/1330577336.db2.gz VAHZLZHTLHPWRM-SNVBAGLBSA-N 0 0 349.774 3.384 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000869899163 1330585851 /nfs/dbraw/zinc/58/58/51/1330585851.db2.gz SCLSTZWNRVJUIX-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN COc1ccc([C@H](O)CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001184810890 1387543769 /nfs/dbraw/zinc/54/37/69/1387543769.db2.gz BEUBPNMSOHADAO-QGZVFWFLSA-N 0 0 339.351 3.297 10 5 EGBERN CCN(CCNc1c([N+](=O)[O-])nc(C)n1CC)c1ccccc1C ZINC001184873580 1387551836 /nfs/dbraw/zinc/55/18/36/1387551836.db2.gz DQOLIQMCZDTCRZ-UHFFFAOYSA-N 0 0 331.420 3.366 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC001324774129 1387767767 /nfs/dbraw/zinc/76/77/67/1387767767.db2.gz HITITNKMJWFBEW-RDJZCZTQSA-N 0 0 348.443 3.427 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001185685678 1387778660 /nfs/dbraw/zinc/77/86/60/1387778660.db2.gz RFTRYRGCTBFIHI-HIFRSBDPSA-N 0 0 339.823 3.304 10 5 EGBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])c(F)c2F)cs1 ZINC001189379856 1367007396 /nfs/dbraw/zinc/00/73/96/1367007396.db2.gz JSNQJBJJTPYQFU-UHFFFAOYSA-N 0 0 329.280 3.300 10 5 EGBERN Cc1ccc(C)c(OCCCSc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC001189391904 1367010921 /nfs/dbraw/zinc/01/09/21/1367010921.db2.gz PXMMLPBBKHOXNJ-UHFFFAOYSA-N 0 0 334.401 3.145 10 5 EGBERN O=[N+]([O-])c1cn(CCOc2ccccc2F)nc1-c1ccc(F)cn1 ZINC001189423254 1367017717 /nfs/dbraw/zinc/01/77/17/1367017717.db2.gz CWRMYRBCVZZBFY-UHFFFAOYSA-N 0 0 346.293 3.211 10 5 EGBERN COc1cc([N+](=O)[O-])cn(CCOc2ccc(C(C)C)c(C)c2)c1=O ZINC001189868760 1367121080 /nfs/dbraw/zinc/12/10/80/1367121080.db2.gz AUSFMSCALFKLPD-UHFFFAOYSA-N 0 0 346.383 3.276 10 5 EGBERN CC(C)[C@@H]1N(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1(C)C ZINC001186593827 1387977833 /nfs/dbraw/zinc/97/78/33/1387977833.db2.gz MKCXALHRKMUUBX-INIZCTEOSA-N 0 0 329.400 3.318 10 5 EGBERN CCN1CC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430317 1388107182 /nfs/dbraw/zinc/10/71/82/1388107182.db2.gz HUHCRLNWQUFKEM-MRXNPFEDSA-N 0 0 339.395 3.332 10 5 EGBERN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001118906182 1371247518 /nfs/dbraw/zinc/24/75/18/1371247518.db2.gz LEKBGSJODNDNHQ-ZBEGNZNMSA-N 0 0 337.807 3.451 10 5 EGBERN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC001119305985 1371303060 /nfs/dbraw/zinc/30/30/60/1371303060.db2.gz SXTWJCBOUYBRBX-AWEZNQCLSA-N 0 0 349.774 3.151 10 5 EGBERN C[C@H](C(=O)O[C@@H]1CCCc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001123108640 1372381833 /nfs/dbraw/zinc/38/18/33/1372381833.db2.gz FVFNVUBXSDVQFQ-XHDPSFHLSA-N 0 0 327.340 3.109 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]23CCC[C@H]2OCC3)c1 ZINC001123231620 1372402666 /nfs/dbraw/zinc/40/26/66/1372402666.db2.gz PICSXSFXYGKOPH-ZBFHGGJFSA-N 0 0 337.397 3.433 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001123238277 1372404368 /nfs/dbraw/zinc/40/43/68/1372404368.db2.gz FGNKUEIUNSNPCE-GOEBONIOSA-N 0 0 339.363 3.271 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC001123278113 1372412444 /nfs/dbraw/zinc/41/24/44/1372412444.db2.gz SBQKKJVDQFUMBY-SNVBAGLBSA-N 0 0 348.384 3.081 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1([C@H]2CCCO2)CCC1 ZINC001124118534 1372675807 /nfs/dbraw/zinc/67/58/07/1372675807.db2.gz JFDMQGAKAPOZKF-MRXNPFEDSA-N 0 0 347.415 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)COC(=O)N2 ZINC001124331622 1372692624 /nfs/dbraw/zinc/69/26/24/1372692624.db2.gz IQCJNXHORPHCKF-UHFFFAOYSA-N 0 0 327.296 3.218 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC001124406118 1372699230 /nfs/dbraw/zinc/69/92/30/1372699230.db2.gz IGRAWNWWQMRCAE-QGZVFWFLSA-N 0 0 339.351 3.343 10 5 EGBERN CC(=O)NCc1cccc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 ZINC001124450444 1372702509 /nfs/dbraw/zinc/70/25/09/1372702509.db2.gz CYBPFUJCOHTYLY-UHFFFAOYSA-N 0 0 342.351 3.067 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2c(ccnc2Cl)o1 ZINC001125155439 1372756960 /nfs/dbraw/zinc/75/69/60/1372756960.db2.gz GIKFOKUVYRJXJI-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001125181805 1372758778 /nfs/dbraw/zinc/75/87/78/1372758778.db2.gz HIRSQBVONCXTJH-JTQLQIEISA-N 0 0 347.302 3.062 10 5 EGBERN CCCNC(=O)c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001125310905 1372769201 /nfs/dbraw/zinc/76/92/01/1372769201.db2.gz YOQIIPXYWQPCRY-UHFFFAOYSA-N 0 0 345.330 3.126 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1cc(Cl)ccn1 ZINC001125632240 1372822480 /nfs/dbraw/zinc/82/24/80/1372822480.db2.gz JRZXOSWCGYVISS-UHFFFAOYSA-N 0 0 338.722 3.458 10 5 EGBERN CO[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001125796332 1372858767 /nfs/dbraw/zinc/85/87/67/1372858767.db2.gz PGNXNSFIDUAZEZ-OAHLLOKOSA-N 0 0 334.759 3.444 10 5 EGBERN CC1(C)CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001126563526 1372974812 /nfs/dbraw/zinc/97/48/12/1372974812.db2.gz ZYEPJHXGBPWVIP-MRXNPFEDSA-N 0 0 345.399 3.127 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc3ncn(C)c32)cc1[N+](=O)[O-] ZINC001126611409 1372983186 /nfs/dbraw/zinc/98/31/86/1372983186.db2.gz PTDBJHPZKNOTLP-GFCCVEGCSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)n1 ZINC001126646799 1372990380 /nfs/dbraw/zinc/99/03/80/1372990380.db2.gz FBKXLDQLIUTMSG-INIZCTEOSA-N 0 0 347.321 3.458 10 5 EGBERN CCOc1cccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001126783624 1373022346 /nfs/dbraw/zinc/02/23/46/1373022346.db2.gz DXCKATPLAFYCBP-JXMROGBWSA-N 0 0 327.340 3.349 10 5 EGBERN COc1cccc2c1CC[C@H]2NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001127012908 1373068446 /nfs/dbraw/zinc/06/84/46/1373068446.db2.gz ZEYDEOXSJUBNLP-CYBMUJFWSA-N 0 0 330.315 3.160 10 5 EGBERN CS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001127379026 1373121439 /nfs/dbraw/zinc/12/14/39/1373121439.db2.gz UJTKEQXRFDDIMI-LLVKDONJSA-N 0 0 326.393 3.400 10 5 EGBERN Cc1cc(COC(=O)[C@@H](C)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001127501231 1373132134 /nfs/dbraw/zinc/13/21/34/1373132134.db2.gz UYNXXTIMBSYKLQ-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN CC[C@H](OC(=O)c1ccnc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001127623564 1373149499 /nfs/dbraw/zinc/14/94/99/1373149499.db2.gz BPPMVEKNJXGFFL-HNNXBMFYSA-N 0 0 329.356 3.364 10 5 EGBERN C[C@@H](OC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cnccn1 ZINC001127802751 1373184011 /nfs/dbraw/zinc/18/40/11/1373184011.db2.gz PSCVYXGKPKBPNB-SNVBAGLBSA-N 0 0 338.323 3.038 10 5 EGBERN CCn1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1C ZINC001127866314 1373192462 /nfs/dbraw/zinc/19/24/62/1373192462.db2.gz WKVPHBZMXSVPDD-UHFFFAOYSA-N 0 0 339.355 3.229 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)c1nc2ccccc2n1C ZINC001127914495 1373199141 /nfs/dbraw/zinc/19/91/41/1373199141.db2.gz XJDMJYALNXKDEG-UHFFFAOYSA-N 0 0 342.330 3.206 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC001128126249 1373220913 /nfs/dbraw/zinc/22/09/13/1373220913.db2.gz MRHYEXBQKPGZSG-CVEARBPZSA-N 0 0 339.395 3.439 10 5 EGBERN COCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC001128651780 1373300973 /nfs/dbraw/zinc/30/09/73/1373300973.db2.gz ZQBOXLNCCSKKGI-OXXUSNJHSA-N 0 0 346.427 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-n3cccn3)ccc2C)n1 ZINC001128669299 1373302069 /nfs/dbraw/zinc/30/20/69/1373302069.db2.gz PVCDKJOXYJQDRX-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccn(CC(F)(F)F)n1 ZINC001128951988 1373327276 /nfs/dbraw/zinc/32/72/76/1373327276.db2.gz SEJXSCLMAYDQAQ-UHFFFAOYSA-N 0 0 348.668 3.259 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001128976431 1373330167 /nfs/dbraw/zinc/33/01/67/1373330167.db2.gz SNOACKVOAVCXOY-MRXNPFEDSA-N 0 0 348.305 3.087 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)n1 ZINC001129091201 1373344730 /nfs/dbraw/zinc/34/47/30/1373344730.db2.gz FRTNKKCGGAUZOX-NXEZZACHSA-N 0 0 331.294 3.101 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC001129562551 1373398052 /nfs/dbraw/zinc/39/80/52/1373398052.db2.gz BOHCNKLCSIPRJN-NSHDSACASA-N 0 0 346.770 3.463 10 5 EGBERN COc1cc(C(=O)N2CCc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] ZINC001129588680 1373400445 /nfs/dbraw/zinc/40/04/45/1373400445.db2.gz LLVLPWSEUFJMLO-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CC1(C)C ZINC001129858581 1373430046 /nfs/dbraw/zinc/43/00/46/1373430046.db2.gz NOQNIWIFBBRTNW-QWHCGFSZSA-N 0 0 335.360 3.366 10 5 EGBERN CSc1cncc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001129874003 1373431311 /nfs/dbraw/zinc/43/13/11/1373431311.db2.gz LSABFEVGIMSSLZ-UHFFFAOYSA-N 0 0 335.360 3.422 10 5 EGBERN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001130384767 1373512570 /nfs/dbraw/zinc/51/25/70/1373512570.db2.gz HYKZJDSFOOZZCR-UHFFFAOYSA-N 0 0 348.668 3.259 10 5 EGBERN Cc1nn(C)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1Cl ZINC001130406484 1373522203 /nfs/dbraw/zinc/52/22/03/1373522203.db2.gz LQDYXACKWNIRHG-UHFFFAOYSA-N 0 0 349.778 3.117 10 5 EGBERN CCOc1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001130433451 1373537274 /nfs/dbraw/zinc/53/72/74/1373537274.db2.gz XZQPAOYFTUTGEW-UHFFFAOYSA-N 0 0 345.351 3.424 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(F)cc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001130501476 1373552278 /nfs/dbraw/zinc/55/22/78/1373552278.db2.gz CPHMTLYDQHYSPE-UHFFFAOYSA-N 0 0 347.346 3.451 10 5 EGBERN O=C(Cc1cccc(F)c1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758908 1373588438 /nfs/dbraw/zinc/58/84/38/1373588438.db2.gz SBAYYEDSTBRHRD-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN COc1c(C(=O)Oc2ccc(OC3CC3)cc2)cccc1[N+](=O)[O-] ZINC001130892808 1373604184 /nfs/dbraw/zinc/60/41/84/1373604184.db2.gz SCYDVULFRKIRBN-UHFFFAOYSA-N 0 0 329.308 3.364 10 5 EGBERN COc1cc(C)cnc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956774 1373615571 /nfs/dbraw/zinc/61/55/71/1373615571.db2.gz GOBFHLCUVRCXJY-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(C)cccn12 ZINC001130986976 1373621322 /nfs/dbraw/zinc/62/13/22/1373621322.db2.gz OYLRYTDMUAYQOJ-UHFFFAOYSA-N 0 0 340.339 3.202 10 5 EGBERN CCOc1cc(NC(=O)CCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC001130997485 1373623002 /nfs/dbraw/zinc/62/30/02/1373623002.db2.gz OEDDIXJDXAAXAW-UHFFFAOYSA-N 0 0 333.344 3.170 10 5 EGBERN CC(C)(C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001131048767 1373632263 /nfs/dbraw/zinc/63/22/63/1373632263.db2.gz HXYFCCNGXWHYBF-UHFFFAOYSA-N 0 0 330.296 3.386 10 5 EGBERN O=C(/C=C/c1ccc(Cl)nc1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131051915 1373633196 /nfs/dbraw/zinc/63/31/96/1373633196.db2.gz QLERXZJBFBKOMY-DUXPYHPUSA-N 0 0 349.686 3.170 10 5 EGBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(-c2ccco2)n1 ZINC001131400414 1373689522 /nfs/dbraw/zinc/68/95/22/1373689522.db2.gz ZTXOCBKQXYQINR-UHFFFAOYSA-N 0 0 346.730 3.494 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2cnc3nccn3c2)cc1[N+](=O)[O-] ZINC001131485752 1373709164 /nfs/dbraw/zinc/70/91/64/1373709164.db2.gz MRNGXCPYGKACRV-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CCc3ccccc3CC2)n1 ZINC001131622763 1373735067 /nfs/dbraw/zinc/73/50/67/1373735067.db2.gz QJHRTYJZNKAYOB-UHFFFAOYSA-N 0 0 339.395 3.223 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC001131650056 1373743560 /nfs/dbraw/zinc/74/35/60/1373743560.db2.gz LGPIQIROIATLRA-UHFFFAOYSA-N 0 0 348.374 3.074 10 5 EGBERN CCc1ccc(C(=O)NC[C@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC001131679288 1373759227 /nfs/dbraw/zinc/75/92/27/1373759227.db2.gz WODDERAFBSWLSS-KRWDZBQOSA-N 0 0 334.416 3.482 10 5 EGBERN COc1cnc(F)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001132328687 1375307502 /nfs/dbraw/zinc/30/75/02/1375307502.db2.gz HSRRVSDMQJDMLG-MRVPVSSYSA-N 0 0 337.282 3.019 10 5 EGBERN Cc1cc(OCc2cccc([N+](=O)[O-])c2Br)nnc1C ZINC001188770789 1388374318 /nfs/dbraw/zinc/37/43/18/1388374318.db2.gz JJJFUVSXNBDITO-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc2[nH]ccc21 ZINC001132718118 1375528663 /nfs/dbraw/zinc/52/86/63/1375528663.db2.gz PBWGNIFHOHYXFV-UHFFFAOYSA-N 0 0 327.315 3.074 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CC/C=C/c1ccccc1 ZINC001132959270 1375674042 /nfs/dbraw/zinc/67/40/42/1375674042.db2.gz DAVFEQGLRHCMAQ-WEVVVXLNSA-N 0 0 327.340 3.431 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001132963107 1375676251 /nfs/dbraw/zinc/67/62/51/1375676251.db2.gz UPZOUFPROXZJDC-UHFFFAOYSA-N 0 0 343.673 3.182 10 5 EGBERN COc1ccc(C(=O)Nc2ccncc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001133056918 1375747307 /nfs/dbraw/zinc/74/73/07/1375747307.db2.gz ZWNOUCRNJHIHAY-UHFFFAOYSA-N 0 0 349.346 3.340 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001133291354 1375901196 /nfs/dbraw/zinc/90/11/96/1375901196.db2.gz OCCWZWQARPMZPO-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC001133479921 1376033678 /nfs/dbraw/zinc/03/36/78/1376033678.db2.gz KXGQRMWTABFROB-NSHDSACASA-N 0 0 338.319 3.192 10 5 EGBERN COC(=O)c1cc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])cs1 ZINC001189025047 1388440318 /nfs/dbraw/zinc/44/03/18/1388440318.db2.gz KGACXOHWJBFCOG-UHFFFAOYSA-N 0 0 335.337 3.225 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC001134716837 1376677330 /nfs/dbraw/zinc/67/73/30/1376677330.db2.gz RTIIZYNRADHUAH-INIZCTEOSA-N 0 0 347.415 3.248 10 5 EGBERN CCc1cccc(OCCOc2ccc(C(=O)OC)c([N+](=O)[O-])c2)c1 ZINC001189093161 1388456997 /nfs/dbraw/zinc/45/69/97/1388456997.db2.gz KYLWLAOXHWHPHN-UHFFFAOYSA-N 0 0 345.351 3.402 10 5 EGBERN CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001134749032 1376697546 /nfs/dbraw/zinc/69/75/46/1376697546.db2.gz WXGAQNZGXDGBDD-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCC=CCCC1 ZINC001134766154 1376710432 /nfs/dbraw/zinc/71/04/32/1376710432.db2.gz KKJDRRPRALHXQI-ZDUSSCGKSA-N 0 0 336.363 3.365 10 5 EGBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001134785694 1376719440 /nfs/dbraw/zinc/71/94/40/1376719440.db2.gz YSKLMZDWQBCTRI-UBHAPETDSA-N 0 0 339.189 3.276 10 5 EGBERN COc1cc(OCC(=O)NC2(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001134934447 1376799777 /nfs/dbraw/zinc/79/97/77/1376799777.db2.gz CMVIJRMLYSYOEX-UHFFFAOYSA-N 0 0 348.399 3.211 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCN2C ZINC001134948884 1376806578 /nfs/dbraw/zinc/80/65/78/1376806578.db2.gz MJQQHZJMYOSNEQ-UHFFFAOYSA-N 0 0 340.383 3.012 10 5 EGBERN O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134970171 1376818641 /nfs/dbraw/zinc/81/86/41/1376818641.db2.gz HEDAKTVLWISBHD-CHWSQXEVSA-N 0 0 346.333 3.482 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1noc2c1CCCC2 ZINC001135088801 1376888559 /nfs/dbraw/zinc/88/85/59/1376888559.db2.gz RHJDRHZRFLJDBI-UHFFFAOYSA-N 0 0 340.339 3.055 10 5 EGBERN COc1cc(C(=O)Nc2ccc(C(F)F)nc2)c([N+](=O)[O-])cc1F ZINC001135129997 1376922660 /nfs/dbraw/zinc/92/26/60/1376922660.db2.gz OTLAVDYBGNKYKP-UHFFFAOYSA-N 0 0 341.245 3.327 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1C ZINC001135422826 1377087963 /nfs/dbraw/zinc/08/79/63/1377087963.db2.gz FUQXEKGCXHSTTL-UHFFFAOYSA-N 0 0 342.182 3.479 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001135512754 1377123533 /nfs/dbraw/zinc/12/35/33/1377123533.db2.gz LYWJUTIBXWMFBQ-BXUZGUMPSA-N 0 0 328.372 3.293 10 5 EGBERN Nc1c(Br)cc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC001135660880 1377178390 /nfs/dbraw/zinc/17/83/90/1377178390.db2.gz DMWBWKGZHRRVJK-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2nsnc21 ZINC001135679046 1377181246 /nfs/dbraw/zinc/18/12/46/1377181246.db2.gz JPEYRPCIFYQUHS-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN C[C@@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001135679628 1377182262 /nfs/dbraw/zinc/18/22/62/1377182262.db2.gz XPNRSGNJGARFEL-SNVBAGLBSA-N 0 0 329.331 3.298 10 5 EGBERN CC(=O)Nc1cccc(OC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001135741781 1377198397 /nfs/dbraw/zinc/19/83/97/1377198397.db2.gz WNZDDOCXEKTPRZ-UHFFFAOYSA-N 0 0 349.730 3.008 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001135744963 1377200071 /nfs/dbraw/zinc/20/00/71/1377200071.db2.gz YMSZCSYLVQESPU-IAGOWNOFSA-N 0 0 340.335 3.262 10 5 EGBERN CCc1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001136266616 1377370959 /nfs/dbraw/zinc/37/09/59/1377370959.db2.gz WKSTVCIFBCJAFP-GUYCJALGSA-N 0 0 334.416 3.482 10 5 EGBERN C[C@@H](NC(=O)c1oc2ccccc2c1CO)c1cccc([N+](=O)[O-])c1 ZINC001136308395 1377375911 /nfs/dbraw/zinc/37/59/11/1377375911.db2.gz FCRWDAMZNOPEOD-LLVKDONJSA-N 0 0 340.335 3.324 10 5 EGBERN O=C(NCCn1cnc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136445074 1377393511 /nfs/dbraw/zinc/39/35/11/1377393511.db2.gz IGYNGSIZBCXIFD-UHFFFAOYSA-N 0 0 344.758 3.028 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001136487970 1377398984 /nfs/dbraw/zinc/39/89/84/1377398984.db2.gz BCZXVKZIOUBXPM-AGIUHOORSA-N 0 0 334.420 3.010 10 5 EGBERN Cc1cccn2cc(CNC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])nc12 ZINC001136646698 1377412261 /nfs/dbraw/zinc/41/22/61/1377412261.db2.gz LRACQIOYUASEIK-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(CC)CC ZINC001137064247 1377471670 /nfs/dbraw/zinc/47/16/70/1377471670.db2.gz YALOMPVRJDRJBR-JKSUJKDBSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2c2cccn2C)n1 ZINC001137207806 1377496745 /nfs/dbraw/zinc/49/67/45/1377496745.db2.gz YLPJBGFTEVUJHQ-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1-c1ncco1 ZINC001137308552 1377514061 /nfs/dbraw/zinc/51/40/61/1377514061.db2.gz UXXCUBUFQSHLKX-UHFFFAOYSA-N 0 0 347.718 3.187 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001137531616 1377561696 /nfs/dbraw/zinc/56/16/96/1377561696.db2.gz WWWIEXCMHOOVGZ-UHFFFAOYSA-N 0 0 343.170 3.117 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1O)c1cccc([N+](=O)[O-])c1 ZINC001137587942 1377568788 /nfs/dbraw/zinc/56/87/88/1377568788.db2.gz NYILKQILRUDIMZ-MRXNPFEDSA-N 0 0 342.351 3.302 10 5 EGBERN C[C@H](c1ccccc1)N(CCO)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001137875713 1377635852 /nfs/dbraw/zinc/63/58/52/1377635852.db2.gz IAQZXWSBWAAGSV-GFCCVEGCSA-N 0 0 348.786 3.444 10 5 EGBERN CCNc1ccc(C)cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001137982681 1377658081 /nfs/dbraw/zinc/65/80/81/1377658081.db2.gz GINRWTBZHQROEP-UHFFFAOYSA-N 0 0 327.384 3.308 10 5 EGBERN O=C(NN1CCCc2ccccc21)c1cccc(Cl)c1[N+](=O)[O-] ZINC001138789985 1377785464 /nfs/dbraw/zinc/78/54/64/1377785464.db2.gz GEMKPIDBUSXVGU-UHFFFAOYSA-N 0 0 331.759 3.346 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001139098572 1377829703 /nfs/dbraw/zinc/82/97/03/1377829703.db2.gz VJVGYPOFUHCCGS-SNVBAGLBSA-N 0 0 328.796 3.165 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC=C(c2ccccn2)C1 ZINC001141386876 1378315666 /nfs/dbraw/zinc/31/56/66/1378315666.db2.gz BCNLTMTUQQUVEY-UHFFFAOYSA-N 0 0 348.362 3.401 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc(-c2cc[nH]n2)c1 ZINC001141483045 1378332299 /nfs/dbraw/zinc/33/22/99/1378332299.db2.gz AOSJGUUWLNLAOA-UHFFFAOYSA-N 0 0 340.314 3.305 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC001141847252 1378384780 /nfs/dbraw/zinc/38/47/80/1378384780.db2.gz BNRJVWFGOQDQEM-QMMMGPOBSA-N 0 0 334.401 3.148 10 5 EGBERN C[C@@H](NC(=O)c1c(Cl)n[nH]c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001141891570 1378390592 /nfs/dbraw/zinc/39/05/92/1378390592.db2.gz ZCCOZYUKEAQGEJ-MRVPVSSYSA-N 0 0 334.763 3.340 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001142036899 1378407220 /nfs/dbraw/zinc/40/72/20/1378407220.db2.gz GQPQSMCLZAGGDK-UHFFFAOYSA-N 0 0 336.731 3.353 10 5 EGBERN CCc1[nH]nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC001142856849 1378497210 /nfs/dbraw/zinc/49/72/10/1378497210.db2.gz LBGPPATXPGAQIW-UHFFFAOYSA-N 0 0 336.779 3.413 10 5 EGBERN O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001150191223 1379511862 /nfs/dbraw/zinc/51/18/62/1379511862.db2.gz BZIIRZYMXFOOIU-UHFFFAOYSA-N 0 0 348.318 3.170 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2c1 ZINC001151196040 1379674808 /nfs/dbraw/zinc/67/48/08/1379674808.db2.gz QXABITLNFUGCRT-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC001152803436 1379982403 /nfs/dbraw/zinc/98/24/03/1379982403.db2.gz LDCQWYWYISWXGN-CYBMUJFWSA-N 0 0 334.420 3.484 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2c[nH]cn2)cc1 ZINC001153495433 1380084433 /nfs/dbraw/zinc/08/44/33/1380084433.db2.gz SVYMLGOADKYMQU-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001153686184 1380114431 /nfs/dbraw/zinc/11/44/31/1380114431.db2.gz WYLAMXHWWRHZRS-INIZCTEOSA-N 0 0 346.770 3.178 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC4(C3)CC(F)(F)C4)c2c1 ZINC001328022596 1388646988 /nfs/dbraw/zinc/64/69/88/1388646988.db2.gz BJBDVXWCJPJWCS-UHFFFAOYSA-N 0 0 340.717 3.427 10 5 EGBERN C[Si](C)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001153939061 1380159036 /nfs/dbraw/zinc/15/90/36/1380159036.db2.gz SZTLEQJBOLYTBH-UHFFFAOYSA-N 0 0 348.862 3.133 10 5 EGBERN O=C(Nc1cnccc1-c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001154205889 1380227884 /nfs/dbraw/zinc/22/78/84/1380227884.db2.gz QKGZOPMGXDPQFO-UHFFFAOYSA-N 0 0 336.307 3.010 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cc2ccccc2o1 ZINC001154360386 1380264646 /nfs/dbraw/zinc/26/46/46/1380264646.db2.gz BQIWDMUJHUAXET-ZETCQYMHSA-N 0 0 334.719 3.209 10 5 EGBERN Cc1ccc(-c2ncc(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)s2)c(C)c1 ZINC001155038157 1380396706 /nfs/dbraw/zinc/39/67/06/1380396706.db2.gz OEPVBUNQIJVULN-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001155234496 1380427548 /nfs/dbraw/zinc/42/75/48/1380427548.db2.gz JWOXEEANFCEDCT-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccc2n[nH]cc2c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001157525120 1380955917 /nfs/dbraw/zinc/95/59/17/1380955917.db2.gz XAEXKFQFRKKRME-LBPRGKRZSA-N 0 0 338.367 3.313 10 5 EGBERN COc1cc(C(=O)OCc2coc(C3CC3)n2)cc([N+](=O)[O-])c1C ZINC001287723040 1381367302 /nfs/dbraw/zinc/36/73/02/1381367302.db2.gz HDPGBQLWJYALTK-UHFFFAOYSA-N 0 0 332.312 3.134 10 5 EGBERN Cc1sccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001287724104 1381368514 /nfs/dbraw/zinc/36/85/14/1381368514.db2.gz WAZUCZPVNJUOCJ-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1nc2ccccn2c1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001158753051 1381383675 /nfs/dbraw/zinc/38/36/75/1381383675.db2.gz YCABSLYXIPRRKZ-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C=O)cc1 ZINC001158757436 1381385729 /nfs/dbraw/zinc/38/57/29/1381385729.db2.gz YBPFKXWCLOJBCN-UHFFFAOYSA-N 0 0 341.367 3.409 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC001158973987 1381494686 /nfs/dbraw/zinc/49/46/86/1381494686.db2.gz RMKSNIPCXIJVBO-YOEHRIQHSA-N 0 0 336.432 3.231 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC001288215592 1381730959 /nfs/dbraw/zinc/73/09/59/1381730959.db2.gz AIKJFTQJDBGLDV-UHFFFAOYSA-N 0 0 333.319 3.054 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC001288216000 1381731879 /nfs/dbraw/zinc/73/18/79/1381731879.db2.gz LQUHVRIHVYRHEF-HYXAFXHYSA-N 0 0 338.323 3.132 10 5 EGBERN CCc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1 ZINC001288245276 1381749212 /nfs/dbraw/zinc/74/92/12/1381749212.db2.gz GODOMSHIMQLWBY-UHFFFAOYSA-N 0 0 326.356 3.379 10 5 EGBERN Cc1cc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc([N+](=O)[O-])c1 ZINC001159512814 1381813750 /nfs/dbraw/zinc/81/37/50/1381813750.db2.gz NSWJGVGYFBCXBJ-HZPDHXFCSA-N 0 0 340.335 3.146 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc([N+](=O)[O-])c1 ZINC001159512813 1381814200 /nfs/dbraw/zinc/81/42/00/1381814200.db2.gz NSWJGVGYFBCXBJ-HOTGVXAUSA-N 0 0 340.335 3.146 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)cnc21 ZINC001288449038 1381817650 /nfs/dbraw/zinc/81/76/50/1381817650.db2.gz JTSCZMXYKDRIEX-UHFFFAOYSA-N 0 0 333.344 3.054 10 5 EGBERN Cc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3N)CC2)c(C)c1 ZINC001159730859 1381883821 /nfs/dbraw/zinc/88/38/21/1381883821.db2.gz LIELGBFPEMCDGL-UHFFFAOYSA-N 0 0 339.395 3.255 10 5 EGBERN Cc1nccnc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001289892746 1382017566 /nfs/dbraw/zinc/01/75/66/1382017566.db2.gz GZMMRYSPMBZNMT-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C2CC2)cc1F ZINC001160594080 1382150572 /nfs/dbraw/zinc/15/05/72/1382150572.db2.gz LOFURAOFAXFAOR-UHFFFAOYSA-N 0 0 329.331 3.124 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001328538825 1388771574 /nfs/dbraw/zinc/77/15/74/1388771574.db2.gz OGRMCHRQZLAGPL-PCGAWMICSA-N 0 0 339.342 3.389 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001328538816 1388771703 /nfs/dbraw/zinc/77/17/03/1388771703.db2.gz OGRMCHRQZLAGPL-FRJFDASCSA-N 0 0 339.342 3.389 10 5 EGBERN CCCNc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001161272826 1382358629 /nfs/dbraw/zinc/35/86/29/1382358629.db2.gz OWILXKJYLFQJTK-UHFFFAOYSA-N 0 0 328.372 3.050 10 5 EGBERN C[C@@H]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC001328587065 1388782700 /nfs/dbraw/zinc/78/27/00/1388782700.db2.gz VOJHYDWDGLIKJS-ZJUUUORDSA-N 0 0 336.779 3.195 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC001161516533 1382428951 /nfs/dbraw/zinc/42/89/51/1382428951.db2.gz FHWJQIFNIDEIJC-DEOSSOPVSA-N 0 0 347.396 3.499 10 5 EGBERN COc1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c(O)c1 ZINC001161549842 1382437609 /nfs/dbraw/zinc/43/76/09/1382437609.db2.gz AHAVLJPZZOCMMN-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN CCCc1cc(=O)oc2cc(Oc3nn(C)cc3[N+](=O)[O-])ccc12 ZINC001161951836 1382566998 /nfs/dbraw/zinc/56/69/98/1382566998.db2.gz JUPWRXLNJMQINJ-UHFFFAOYSA-N 0 0 329.312 3.180 10 5 EGBERN COC(=O)Cc1ccc(Oc2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1 ZINC001162004443 1382596735 /nfs/dbraw/zinc/59/67/35/1382596735.db2.gz OBYBZJWZPDKTLW-UHFFFAOYSA-N 0 0 346.295 3.319 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[C@H](O)C2)cc1C ZINC001162591268 1382802233 /nfs/dbraw/zinc/80/22/33/1382802233.db2.gz INPSJUSWHMGLSY-STQMWFEESA-N 0 0 336.388 3.043 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Oc3ccc(Br)nc3)nc2c1 ZINC001162732734 1382850498 /nfs/dbraw/zinc/85/04/98/1382850498.db2.gz UHOFDZLLZCNMID-UHFFFAOYSA-N 0 0 335.117 3.421 10 5 EGBERN COC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC001295988662 1382892671 /nfs/dbraw/zinc/89/26/71/1382892671.db2.gz WSOLPTUJMIKWPC-UHFFFAOYSA-N 0 0 332.360 3.149 10 5 EGBERN Cc1ccc(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC001163272196 1383010159 /nfs/dbraw/zinc/01/01/59/1383010159.db2.gz DCALVBMEMKZDHG-UHFFFAOYSA-N 0 0 325.368 3.065 10 5 EGBERN CCc1cc(N[C@@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163334846 1383024984 /nfs/dbraw/zinc/02/49/84/1383024984.db2.gz NODALPGJFCLDAG-OAHLLOKOSA-N 0 0 342.399 3.016 10 5 EGBERN C[C@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)OC(C)(C)C ZINC001163481070 1383060996 /nfs/dbraw/zinc/06/09/96/1383060996.db2.gz VTTAXBLCTAQAJA-GFCCVEGCSA-N 0 0 349.431 3.283 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Oc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001163566156 1383080722 /nfs/dbraw/zinc/08/07/22/1383080722.db2.gz QFCPNRGIIDKNHF-UHFFFAOYSA-N 0 0 342.267 3.247 10 5 EGBERN O=[N+]([O-])c1c(NCCO[C@@H]2CC2(F)F)cccc1C(F)(F)F ZINC001163685576 1383105874 /nfs/dbraw/zinc/10/58/74/1383105874.db2.gz IYXLEBWBBSTJGG-SECBINFHSA-N 0 0 326.221 3.450 10 5 EGBERN COC(=O)Cc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC001163817172 1383125251 /nfs/dbraw/zinc/12/52/51/1383125251.db2.gz DZXIPQPGBLNMCX-UHFFFAOYSA-N 0 0 342.351 3.125 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC(c2ccccc2)C1 ZINC001163901040 1383134137 /nfs/dbraw/zinc/13/41/37/1383134137.db2.gz IKRZAQCGLWQJFF-UHFFFAOYSA-N 0 0 334.173 3.356 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCN1CC(F)(F)F ZINC001164098915 1383156284 /nfs/dbraw/zinc/15/62/84/1383156284.db2.gz LSGSHDPPTSQBND-VIFPVBQESA-N 0 0 338.717 3.082 10 5 EGBERN C[C@@H]1C[C@]2(CC[C@H](CNc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC001164165389 1383161991 /nfs/dbraw/zinc/16/19/91/1383161991.db2.gz ZRGXOTMXKMKLRD-IXPVHAAZSA-N 0 0 326.780 3.387 10 5 EGBERN COC(=O)C1(CCCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC001164294190 1383175267 /nfs/dbraw/zinc/17/52/67/1383175267.db2.gz JEWDOFTUKJIFKR-UHFFFAOYSA-N 0 0 346.387 3.397 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328775104 1388855143 /nfs/dbraw/zinc/85/51/43/1388855143.db2.gz LGXQOHTYYVCLDG-JLLWLGSASA-N 0 0 344.745 3.341 10 5 EGBERN COC(=O)c1nn(Cc2c(C)c(C)c(C)c(C)c2C)cc1[N+](=O)[O-] ZINC001166739522 1383469258 /nfs/dbraw/zinc/46/92/58/1383469258.db2.gz SCSOKRZEHGEJHH-UHFFFAOYSA-N 0 0 331.372 3.168 10 5 EGBERN Cc1cc(C(=O)N2CCc3cccc(Cl)c3C2)c(N)c([N+](=O)[O-])c1 ZINC001299160348 1383478161 /nfs/dbraw/zinc/47/81/61/1383478161.db2.gz INENBVDJLVAQQW-UHFFFAOYSA-N 0 0 345.786 3.337 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)ccc1[N+](=O)[O-] ZINC001299234142 1383491170 /nfs/dbraw/zinc/49/11/70/1383491170.db2.gz YPPCFYRQKAXVPY-HSZRJFAPSA-N 0 0 333.369 3.191 10 5 EGBERN CSc1ccc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328782730 1388860480 /nfs/dbraw/zinc/86/04/80/1388860480.db2.gz YPFWZLVMRCTXAH-ILWJIGKKSA-N 0 0 328.340 3.090 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001299753052 1383626507 /nfs/dbraw/zinc/62/65/07/1383626507.db2.gz YNWPBMDWGSLWRL-SJLPKXTDSA-N 0 0 344.342 3.279 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@](C)(O)c1ccccc1 ZINC001300227389 1383653969 /nfs/dbraw/zinc/65/39/69/1383653969.db2.gz IIDPFHKAVXUZAS-SGTLLEGYSA-N 0 0 346.358 3.068 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@](C)(O)c1ccccc1 ZINC001300227390 1383654432 /nfs/dbraw/zinc/65/44/32/1383654432.db2.gz IIDPFHKAVXUZAS-XIKOKIGWSA-N 0 0 346.358 3.068 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cnc2ccccn12 ZINC001300436720 1383664920 /nfs/dbraw/zinc/66/49/20/1383664920.db2.gz XIUUBMVHBZZGRX-UHFFFAOYSA-N 0 0 330.731 3.077 10 5 EGBERN CCCc1n[nH]c(C(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)c1[N+](=O)[O-] ZINC001300519240 1383668784 /nfs/dbraw/zinc/66/87/84/1383668784.db2.gz IFEOLDDOZKAWAA-GTNSWQLSSA-N 0 0 336.436 3.463 10 5 EGBERN O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001301888255 1383734404 /nfs/dbraw/zinc/73/44/04/1383734404.db2.gz OBBGXMYGDGYKHX-UHFFFAOYSA-N 0 0 343.726 3.342 10 5 EGBERN CC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001303300810 1383792342 /nfs/dbraw/zinc/79/23/42/1383792342.db2.gz CYTJZJCYJHWYIB-SNVBAGLBSA-N 0 0 345.330 3.183 10 5 EGBERN CCC[C@H](CC)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529431 1383803175 /nfs/dbraw/zinc/80/31/75/1383803175.db2.gz PLTJZUWCKRIHHC-LBPRGKRZSA-N 0 0 332.404 3.346 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001303656817 1383812065 /nfs/dbraw/zinc/81/20/65/1383812065.db2.gz IWNORSWOLCZOFC-VCSATFKPSA-N 0 0 334.441 3.484 10 5 EGBERN CON(Cc1ccc(C)o1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001303825189 1383814804 /nfs/dbraw/zinc/81/48/04/1383814804.db2.gz MCRIRFPFAZREFQ-UHFFFAOYSA-N 0 0 332.356 3.364 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCCC2SCCS2)c1 ZINC001329593791 1389173545 /nfs/dbraw/zinc/17/35/45/1389173545.db2.gz CTUKTQSLMNOPLH-UHFFFAOYSA-N 0 0 344.483 3.243 10 5 EGBERN Cc1nccn1CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306974191 1383928392 /nfs/dbraw/zinc/92/83/92/1383928392.db2.gz GORAYLROAAQTRF-UHFFFAOYSA-N 0 0 345.790 3.225 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC001306984885 1383929936 /nfs/dbraw/zinc/92/99/36/1383929936.db2.gz UCFPWQSGZNTUKD-GHMZBOCLSA-N 0 0 333.413 3.482 10 5 EGBERN COC(=O)c1cc(Nc2ccc([N+](=O)[O-])cc2C(F)F)cn1C ZINC001306995648 1383931708 /nfs/dbraw/zinc/93/17/08/1383931708.db2.gz GBIUNFADIWKJQQ-UHFFFAOYSA-N 0 0 325.271 3.401 10 5 EGBERN COC(=O)c1ccnc(N(C)C/C(C)=C/c2ccccc2)c1[N+](=O)[O-] ZINC001307096557 1383939837 /nfs/dbraw/zinc/93/98/37/1383939837.db2.gz SXYXEXJUWVLZBF-ACCUITESSA-N 0 0 341.367 3.316 10 5 EGBERN CC1(C)CCc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001307100751 1383940526 /nfs/dbraw/zinc/94/05/26/1383940526.db2.gz WEBFPZAGEYNZQF-ZDUSSCGKSA-N 0 0 327.388 3.483 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CNc3nc4ccc(F)cc4o3)nc2c1 ZINC001307107071 1383940964 /nfs/dbraw/zinc/94/09/64/1383940964.db2.gz TUTJFAQBZZCETN-UHFFFAOYSA-N 0 0 327.275 3.364 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CNc3cccc(Br)n3)nc2c1 ZINC001307106922 1383940967 /nfs/dbraw/zinc/94/09/67/1383940967.db2.gz QSQWCVPBMCIOMT-UHFFFAOYSA-N 0 0 348.160 3.241 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)n1 ZINC001307134831 1383943757 /nfs/dbraw/zinc/94/37/57/1383943757.db2.gz QVAJGHYOPGQMME-UHFFFAOYSA-N 0 0 343.362 3.333 10 5 EGBERN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001307150592 1383945994 /nfs/dbraw/zinc/94/59/94/1383945994.db2.gz MFKCJCAEBJZVAA-GHMZBOCLSA-N 0 0 326.418 3.460 10 5 EGBERN COC(=O)c1ccccc1CSc1nc2sccn2c1[N+](=O)[O-] ZINC001307161536 1383948407 /nfs/dbraw/zinc/94/84/07/1383948407.db2.gz XWZHSUSBCLDLPQ-UHFFFAOYSA-N 0 0 349.393 3.383 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc3[nH]cnc3c2)s1 ZINC001307165725 1383948908 /nfs/dbraw/zinc/94/89/08/1383948908.db2.gz RHHIWVPMFYZAOM-UHFFFAOYSA-N 0 0 326.341 3.088 10 5 EGBERN COC(=O)c1cnc(Oc2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC001307173591 1383950201 /nfs/dbraw/zinc/95/02/01/1383950201.db2.gz BTRURPAWERLJKU-UHFFFAOYSA-N 0 0 326.667 3.361 10 5 EGBERN Cc1cnc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC001307205193 1383955780 /nfs/dbraw/zinc/95/57/80/1383955780.db2.gz JAQTVBCERCSQJA-UHFFFAOYSA-N 0 0 349.394 3.406 10 5 EGBERN CC(=O)Nc1ccc2c(c1)CN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001307203554 1383956094 /nfs/dbraw/zinc/95/60/94/1383956094.db2.gz CSHSAPHZAOJFBV-UHFFFAOYSA-N 0 0 347.321 3.394 10 5 EGBERN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1sccc1[N+](=O)[O-] ZINC001307215574 1383958554 /nfs/dbraw/zinc/95/85/54/1383958554.db2.gz IYLUZKVZBRYFNP-SNVBAGLBSA-N 0 0 327.406 3.102 10 5 EGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1cc2ccccc2oc1=O ZINC001307255967 1383964496 /nfs/dbraw/zinc/96/44/96/1383964496.db2.gz QIQHDEDZPDTCBC-UHFFFAOYSA-N 0 0 325.276 3.093 10 5 EGBERN Cc1nn(Cc2nsc3ccccc32)c2ncc([N+](=O)[O-])cc12 ZINC001307310168 1383970219 /nfs/dbraw/zinc/97/02/19/1383970219.db2.gz PJCQLOQFEWLZIG-UHFFFAOYSA-N 0 0 325.353 3.306 10 5 EGBERN O=C(COc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC001307317409 1383971103 /nfs/dbraw/zinc/97/11/03/1383971103.db2.gz ZMGGJANWWCOLJD-UHFFFAOYSA-N 0 0 344.220 3.409 10 5 EGBERN CC1(C)C[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC001307334040 1383973070 /nfs/dbraw/zinc/97/30/70/1383973070.db2.gz UTIPIXKLBHVJGY-GFCCVEGCSA-N 0 0 347.371 3.005 10 5 EGBERN CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC001307825823 1384038674 /nfs/dbraw/zinc/03/86/74/1384038674.db2.gz QNQTWZSPLDMDSU-MRXNPFEDSA-N 0 0 332.331 3.128 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307894256 1384052142 /nfs/dbraw/zinc/05/21/42/1384052142.db2.gz ZQCGCWSJPRBTGS-AWEZNQCLSA-N 0 0 344.358 3.425 10 5 EGBERN C[C@]1(C(F)(F)F)CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC001308015951 1384075827 /nfs/dbraw/zinc/07/58/27/1384075827.db2.gz BNIXGLLGFHYFBU-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN O=C(N[C@H]1CC12CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313248921 1384405065 /nfs/dbraw/zinc/40/50/65/1384405065.db2.gz AWOQNLVBEUWGMR-HOCLYGCPSA-N 0 0 329.400 3.426 10 5 EGBERN COC1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCCC1 ZINC001313390700 1384415215 /nfs/dbraw/zinc/41/52/15/1384415215.db2.gz CZTUCHLYWAXWOI-UHFFFAOYSA-N 0 0 347.415 3.359 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001171670134 1384597085 /nfs/dbraw/zinc/59/70/85/1384597085.db2.gz AXADEWHTTLCRQH-AWEZNQCLSA-N 0 0 338.404 3.156 10 5 EGBERN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 ZINC001175062617 1385188399 /nfs/dbraw/zinc/18/83/99/1385188399.db2.gz SYSRYXPEYNZSBT-QGZVFWFLSA-N 0 0 347.802 3.238 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1Cl ZINC001329145243 1388988779 /nfs/dbraw/zinc/98/87/79/1388988779.db2.gz AFVLWUOARSOJOW-QNSHHTMESA-N 0 0 330.718 3.412 10 5 EGBERN CC(F)(F)CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001176495330 1385605840 /nfs/dbraw/zinc/60/58/40/1385605840.db2.gz HWZHSYNEQCAYJN-UHFFFAOYSA-N 0 0 333.766 3.021 10 5 EGBERN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001176628840 1385643582 /nfs/dbraw/zinc/64/35/82/1385643582.db2.gz ASWMWUZDXMYNAT-LLVKDONJSA-N 0 0 343.339 3.289 10 5 EGBERN COc1cc(F)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(F)c1 ZINC001179878646 1386616261 /nfs/dbraw/zinc/61/62/61/1386616261.db2.gz CMIAEORMPCZRND-UHFFFAOYSA-N 0 0 337.282 3.025 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2C[C@H]3CCC[C@@H](C2)C3O)c(Cl)c1 ZINC001320489815 1386625564 /nfs/dbraw/zinc/62/55/64/1386625564.db2.gz COHMXPFCXCBUSQ-ZAXAGGATSA-N 0 0 331.199 3.499 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC001321045884 1386793723 /nfs/dbraw/zinc/79/37/23/1386793723.db2.gz CVJRSNOBMWRHOF-UHFFFAOYSA-N 0 0 325.324 3.266 10 5 EGBERN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001181021939 1386918208 /nfs/dbraw/zinc/91/82/08/1386918208.db2.gz MGDRVTGSRPQOTH-YVLHZVERSA-N 0 0 339.351 3.019 10 5 EGBERN NC(=O)CCc1ccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC001329237211 1389030335 /nfs/dbraw/zinc/03/03/35/1389030335.db2.gz UCMCWNWYYAPPDD-UHFFFAOYSA-N 0 0 340.383 3.030 10 5 EGBERN COC[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001336888582 1389196685 /nfs/dbraw/zinc/19/66/85/1389196685.db2.gz ITAOOFYSHQIEBP-ZDUSSCGKSA-N 0 0 330.319 3.181 10 5 EGBERN CCOC(=O)Cc1ccc(NC2CC3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001330077601 1389302489 /nfs/dbraw/zinc/30/24/89/1389302489.db2.gz FRQDQXGZWGKTNA-UHFFFAOYSA-N 0 0 340.326 3.300 10 5 EGBERN CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCC1 ZINC001330187102 1389332815 /nfs/dbraw/zinc/33/28/15/1389332815.db2.gz LUQHQUUMZKTURI-HNNXBMFYSA-N 0 0 330.340 3.115 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001338082422 1389537895 /nfs/dbraw/zinc/53/78/95/1389537895.db2.gz WPENKFHKRVLFEN-KDURUIRLSA-N 0 0 343.427 3.110 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001331204684 1389653898 /nfs/dbraw/zinc/65/38/98/1389653898.db2.gz YOMDDWXETAJDNF-SNVBAGLBSA-N 0 0 340.326 3.047 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001333462551 1390310780 /nfs/dbraw/zinc/31/07/80/1390310780.db2.gz VSYTXUDRKGLSKO-ZDUSSCGKSA-N 0 0 338.429 3.008 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC001333836884 1390419220 /nfs/dbraw/zinc/41/92/20/1390419220.db2.gz SISUHLCGLCFHIA-UONOGXRCSA-N 0 0 330.306 3.063 10 5 EGBERN O=[N+]([O-])CCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001334809488 1390595363 /nfs/dbraw/zinc/59/53/63/1390595363.db2.gz LGOVMCBKILPIQU-SNVBAGLBSA-N 0 0 341.127 3.309 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001334824575 1390599046 /nfs/dbraw/zinc/59/90/46/1390599046.db2.gz AJVMHELSGJLCST-ADEWGFFLSA-N 0 0 328.290 3.206 10 5 EGBERN C[C@@H](CN1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)c1ccc(O)cc1 ZINC001335536093 1390700345 /nfs/dbraw/zinc/70/03/45/1390700345.db2.gz PRUBESFENFUIHV-LBPRGKRZSA-N 0 0 326.352 3.135 10 5 EGBERN CCOc1ccc2c(c1)CN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001343914776 1390743808 /nfs/dbraw/zinc/74/38/08/1390743808.db2.gz NXRFWTJFUJINTE-UHFFFAOYSA-N 0 0 338.367 3.433 10 5 EGBERN C[C@H](C(=O)Oc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001344239631 1390777319 /nfs/dbraw/zinc/77/73/19/1390777319.db2.gz CPNNERWJHZTJLN-KWQFWETISA-N 0 0 344.161 3.078 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001344315029 1390781311 /nfs/dbraw/zinc/78/13/11/1390781311.db2.gz LURHFFDMHRXDBI-DOTOQJQBSA-N 0 0 330.340 3.192 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2cc(OC)c(OC)cc2c1 ZINC001344996860 1390829481 /nfs/dbraw/zinc/82/94/81/1390829481.db2.gz BDFCZPAFKYMVJV-AWEZNQCLSA-N 0 0 333.340 3.069 10 5 EGBERN CC(C)(C(=O)OCc1c(F)cncc1F)c1ccc([N+](=O)[O-])cc1 ZINC001345677040 1390875129 /nfs/dbraw/zinc/87/51/29/1390875129.db2.gz MDOXFNRDNZRZCV-UHFFFAOYSA-N 0 0 336.294 3.289 10 5 EGBERN CC(C)(C(=O)OCc1c(F)cncc1F)c1ccccc1[N+](=O)[O-] ZINC001345676810 1390875174 /nfs/dbraw/zinc/87/51/74/1390875174.db2.gz HRLREOSQWYXEAI-UHFFFAOYSA-N 0 0 336.294 3.289 10 5 EGBERN Cn1cc(-c2nnc(-c3ccc(N)c([N+](=O)[O-])c3)o2)c2ccccc21 ZINC001345833289 1390888159 /nfs/dbraw/zinc/88/81/59/1390888159.db2.gz GZTUOBGYNYPMHS-UHFFFAOYSA-N 0 0 335.323 3.386 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001346488602 1390945678 /nfs/dbraw/zinc/94/56/78/1390945678.db2.gz HBJGXFBDQFPECT-PWSUYJOCSA-N 0 0 339.779 3.281 10 5 EGBERN CC1(C)C[C@H](OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CO1 ZINC001346765101 1390978195 /nfs/dbraw/zinc/97/81/95/1390978195.db2.gz LMWSTFNYKQMZDU-VIFPVBQESA-N 0 0 331.727 3.041 10 5 EGBERN C[C@H]1Cc2cnccc2N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001347376695 1391063845 /nfs/dbraw/zinc/06/38/45/1391063845.db2.gz RYKTZBIGXCENRO-NSHDSACASA-N 0 0 329.331 3.039 10 5 EGBERN Cc1nocc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001347929002 1391147727 /nfs/dbraw/zinc/14/77/27/1391147727.db2.gz VARGIEURQTVRRJ-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001348406719 1391214753 /nfs/dbraw/zinc/21/47/53/1391214753.db2.gz ZVVIQBTXGYZQGV-IAGOWNOFSA-N 0 0 339.351 3.295 10 5 EGBERN O=C(c1ccc(-c2ccccn2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349432970 1391330287 /nfs/dbraw/zinc/33/02/87/1391330287.db2.gz GPZKQBSAIUSQME-UHFFFAOYSA-N 0 0 346.346 3.255 10 5 EGBERN COc1ccc(NC(=O)NCC2(C)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001349919540 1391385724 /nfs/dbraw/zinc/38/57/24/1391385724.db2.gz DUJKSRTWSSGXJU-UHFFFAOYSA-N 0 0 329.303 3.160 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)cc1[N+](=O)[O-] ZINC001349952119 1391390198 /nfs/dbraw/zinc/39/01/98/1391390198.db2.gz WDWUHZWXZOOYQN-HNNXBMFYSA-N 0 0 339.351 3.107 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)CCO1 ZINC001350096074 1391410711 /nfs/dbraw/zinc/41/07/11/1391410711.db2.gz LNDQMIWZLXIOLU-NXEZZACHSA-N 0 0 327.768 3.279 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1 ZINC001350408794 1391459711 /nfs/dbraw/zinc/45/97/11/1391459711.db2.gz WXMZMESGBSHHNK-UHFFFAOYSA-N 0 0 333.275 3.213 10 5 EGBERN O=C(NCCOc1ccc(Cl)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001351077428 1391593016 /nfs/dbraw/zinc/59/30/16/1391593016.db2.gz LPJMIGOSSMYXGM-UHFFFAOYSA-N 0 0 338.722 3.196 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Oc1cccc([N+](=O)[O-])c1 ZINC001351431129 1391638827 /nfs/dbraw/zinc/63/88/27/1391638827.db2.gz WPHZLSJOPQHPIL-UHFFFAOYSA-N 0 0 334.259 3.180 10 5 EGBERN Cc1cccc(NC(=O)COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001352288826 1391780644 /nfs/dbraw/zinc/78/06/44/1391780644.db2.gz AGHZBKOIRXVPGF-UHFFFAOYSA-N 0 0 342.351 3.316 10 5 EGBERN CC(=O)N(CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001352598032 1391819728 /nfs/dbraw/zinc/81/97/28/1391819728.db2.gz FWMCOMOSTHWOKW-UHFFFAOYSA-N 0 0 341.367 3.203 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CO2 ZINC001352648173 1391828204 /nfs/dbraw/zinc/82/82/04/1391828204.db2.gz ORAYUDDKHSGKND-UHFFFAOYSA-N 0 0 328.299 3.457 10 5 EGBERN Cc1c(NC(=O)c2c(F)cccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC001352646404 1391828423 /nfs/dbraw/zinc/82/84/23/1391828423.db2.gz CSXBDQHSXSOASD-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CCO[C@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001352703165 1391833736 /nfs/dbraw/zinc/83/37/36/1391833736.db2.gz JJBKSRTZHRYOIV-INIZCTEOSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1N(C)C ZINC001352865496 1391866532 /nfs/dbraw/zinc/86/65/32/1391866532.db2.gz MFYZYWURJNYPQS-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353011413 1391910306 /nfs/dbraw/zinc/91/03/06/1391910306.db2.gz JTZDUTSDMNETOW-SRCQZFHVSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H]3CC(C)(C)CO3)n2)ccc1[N+](=O)[O-] ZINC001353617098 1392052412 /nfs/dbraw/zinc/05/24/12/1392052412.db2.gz NJLXPPAYPVZETL-CYBMUJFWSA-N 0 0 331.372 3.235 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc2cccnc2c1 ZINC001354043467 1392118029 /nfs/dbraw/zinc/11/80/29/1392118029.db2.gz BLDGIRFAWWKEEB-UHFFFAOYSA-N 0 0 335.363 3.344 10 5 EGBERN O=C(c1cccc2c1OC(F)(F)O2)N1CCc2c1cccc2[N+](=O)[O-] ZINC001354128747 1392121697 /nfs/dbraw/zinc/12/16/97/1392121697.db2.gz FMOBZZNDKGJUGP-UHFFFAOYSA-N 0 0 348.261 3.119 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001354623767 1392157076 /nfs/dbraw/zinc/15/70/76/1392157076.db2.gz KFNBBSWHBYTHFB-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ncoc2-c2ccon2)cc1[N+](=O)[O-] ZINC001354629307 1392157351 /nfs/dbraw/zinc/15/73/51/1392157351.db2.gz ULYQUDYWGKFUSZ-JTQLQIEISA-N 0 0 342.311 3.037 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001354669637 1392160023 /nfs/dbraw/zinc/16/00/23/1392160023.db2.gz HMFWHELHDYMHIT-MZORAGNBSA-N 0 0 340.383 3.320 10 5 EGBERN CN(C)c1nc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC001355005390 1392185000 /nfs/dbraw/zinc/18/50/00/1392185000.db2.gz WBJDBNFDYSGHPC-UHFFFAOYSA-N 0 0 344.755 3.162 10 5 EGBERN COc1ccc(NC(=O)C[C@@H]2OCc3ccccc32)c([N+](=O)[O-])c1 ZINC001355055707 1392189831 /nfs/dbraw/zinc/18/98/31/1392189831.db2.gz KOVPWEFCBRVKBL-INIZCTEOSA-N 0 0 328.324 3.204 10 5 EGBERN CCC1CCC(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001355154947 1392196553 /nfs/dbraw/zinc/19/65/53/1392196553.db2.gz XKGDHDUTRLXQSD-UHFFFAOYSA-N 0 0 333.432 3.364 10 5 EGBERN O=C(NCCCc1ccsc1)NCCNc1ccccc1[N+](=O)[O-] ZINC001479583438 1392280809 /nfs/dbraw/zinc/28/08/09/1392280809.db2.gz IQPYLFHULKOCNG-UHFFFAOYSA-N 0 0 348.428 3.000 10 5 EGBERN C/C=C(/C)C(=O)NC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001483964435 1395165753 /nfs/dbraw/zinc/16/57/53/1395165753.db2.gz VZWKJUHLTCXRTO-QCDXTXTGSA-N 0 0 337.445 3.093 10 5 EGBERN Cc1cccc(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001698983384 1406762969 /nfs/dbraw/zinc/76/29/69/1406762969.db2.gz ULBOUKDMFPUUAW-UHFFFAOYSA-N 0 0 341.411 3.107 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](F)C1 ZINC001695510508 1406095424 /nfs/dbraw/zinc/09/54/24/1406095424.db2.gz KEKSCNVGWJTSBQ-OCCSQVGLSA-N 0 0 347.394 3.448 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1)C(C)C ZINC001695537552 1406097706 /nfs/dbraw/zinc/09/77/06/1406097706.db2.gz NXUGMQCKRFLKRI-UHFFFAOYSA-N 0 0 329.404 3.498 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H]1C)C1CC1 ZINC001709937272 1417457142 /nfs/dbraw/zinc/45/71/42/1417457142.db2.gz KJKRRSSSVGNOSP-GXTWGEPZSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001726483342 1427062573 /nfs/dbraw/zinc/06/25/73/1427062573.db2.gz HPQHVBWWZVICSS-TZMCWYRMSA-N 0 0 341.415 3.498 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1C ZINC001730965093 1427185679 /nfs/dbraw/zinc/18/56/79/1427185679.db2.gz KMLOOGDNBRKAMH-JSGCOSHPSA-N 0 0 345.403 3.287 10 5 EGBERN CN(CCNC(=O)CC1=CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731766843 1427875109 /nfs/dbraw/zinc/87/51/09/1427875109.db2.gz OJJRSOLESPOHOR-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CCC1(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001731790346 1427929679 /nfs/dbraw/zinc/92/96/79/1427929679.db2.gz HBUKMACPZAJLSB-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC=CCC1 ZINC001770234074 1441411510 /nfs/dbraw/zinc/41/15/10/1441411510.db2.gz IVWHADUPJIYEQY-CYBMUJFWSA-N 0 0 343.387 3.207 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1c2ccccc2C[C@@H]1O ZINC000368130858 168314327 /nfs/dbraw/zinc/31/43/27/168314327.db2.gz GZYJDSSYTOOBMY-ZFWWWQNUSA-N 0 0 347.758 3.028 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cccn2)CC1 ZINC000368314787 168341782 /nfs/dbraw/zinc/34/17/82/168341782.db2.gz FXKPQABANUSUJN-BUHFOSPRSA-N 0 0 340.383 3.058 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000054131064 214218038 /nfs/dbraw/zinc/21/80/38/214218038.db2.gz CWTYELMGMSKSNG-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000054131062 214218048 /nfs/dbraw/zinc/21/80/48/214218048.db2.gz CWTYELMGMSKSNG-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN C[C@@H]1CCC[C@@H](Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000004684425 210247356 /nfs/dbraw/zinc/24/73/56/210247356.db2.gz HZPHUBGSCUDUQB-YRGRVCCFSA-N 0 0 345.399 3.485 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccsc1)C1CC1 ZINC000058166670 214491008 /nfs/dbraw/zinc/49/10/08/214491008.db2.gz UXRORIVTWJXHMC-UHFFFAOYSA-N 0 0 332.381 3.226 10 5 EGBERN COc1c(C)cccc1C1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000004589755 210228217 /nfs/dbraw/zinc/22/82/17/210228217.db2.gz BQZGSFCUQDFFPS-GDNBJRDFSA-N 0 0 338.319 3.256 10 5 EGBERN CCc1nc(C2(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCCC2)no1 ZINC000175160548 529730844 /nfs/dbraw/zinc/73/08/44/529730844.db2.gz VQLQEWCTMKEVJS-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066709324 215071012 /nfs/dbraw/zinc/07/10/12/215071012.db2.gz FVJPGMIPVNENJX-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000066708983 215071305 /nfs/dbraw/zinc/07/13/05/215071305.db2.gz RKJUFKSKHJJABH-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1cc2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003193685 209976804 /nfs/dbraw/zinc/97/68/04/209976804.db2.gz FXVSFRHGPZUJDO-UHFFFAOYSA-N 0 0 325.280 3.295 10 5 EGBERN C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000067650086 215174025 /nfs/dbraw/zinc/17/40/25/215174025.db2.gz ZPSCIKUDBAAIBU-JTQLQIEISA-N 0 0 346.305 3.393 10 5 EGBERN Cc1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000040621241 213360331 /nfs/dbraw/zinc/36/03/31/213360331.db2.gz GCSYFUXHMSVMLF-UHFFFAOYSA-N 0 0 330.392 3.460 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581497 213353892 /nfs/dbraw/zinc/35/38/92/213353892.db2.gz MOWUGNOSNFMDAA-UHFFFAOYSA-N 0 0 346.343 3.174 10 5 EGBERN CCOc1ccccc1Nc1ncnc(N(CC)CC)c1[N+](=O)[O-] ZINC000040608244 213358123 /nfs/dbraw/zinc/35/81/23/213358123.db2.gz CMNIXNSLKKTMLM-UHFFFAOYSA-N 0 0 331.376 3.373 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)c1 ZINC000181948898 234390998 /nfs/dbraw/zinc/39/09/98/234390998.db2.gz KQZXSYDJCJCDNI-CQSZACIVSA-N 0 0 339.395 3.424 10 5 EGBERN COc1cccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105714112 219514920 /nfs/dbraw/zinc/51/49/20/219514920.db2.gz FKKJWTHGRZMTCR-LBPRGKRZSA-N 0 0 335.381 3.279 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CCCC2)c1 ZINC000183438096 235077040 /nfs/dbraw/zinc/07/70/40/235077040.db2.gz KYUDHYIOPGFRFV-UHFFFAOYSA-N 0 0 332.809 3.120 10 5 EGBERN O=C(Nc1ccc(F)cc1Br)c1cc([N+](=O)[O-])c[nH]1 ZINC000036722073 213113465 /nfs/dbraw/zinc/11/34/65/213113465.db2.gz FLQGQJICOQGSSM-UHFFFAOYSA-N 0 0 328.097 3.077 10 5 EGBERN Nc1nc(N[C@@H]2CCc3c2ccc(Cl)c3Cl)ncc1[N+](=O)[O-] ZINC000354621768 283273190 /nfs/dbraw/zinc/27/31/90/283273190.db2.gz DCMBVNPCZRWRGQ-SECBINFHSA-N 0 0 340.170 3.204 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC(COc2ccccn2)CC1 ZINC000072313950 216149453 /nfs/dbraw/zinc/14/94/53/216149453.db2.gz OWGXQCMJORLBBL-UHFFFAOYSA-N 0 0 331.347 3.424 10 5 EGBERN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000025106164 212460191 /nfs/dbraw/zinc/46/01/91/212460191.db2.gz MWXOLVQRPSZNNZ-NSHDSACASA-N 0 0 329.356 3.019 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000108740920 219916881 /nfs/dbraw/zinc/91/68/81/219916881.db2.gz AQIUAVHOKJZDBH-ZDUSSCGKSA-N 0 0 326.352 3.199 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(Cc3ccccn3)no2)ccc1OC(F)F ZINC000358848587 241886413 /nfs/dbraw/zinc/88/64/13/241886413.db2.gz HQTNRJTYRCBPLP-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc(C)cc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000362260783 241944369 /nfs/dbraw/zinc/94/43/69/241944369.db2.gz BLXIDSDGHZITCU-UHFFFAOYSA-N 0 0 342.355 3.222 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1cc([N+](=O)[O-])ccc1OC ZINC000078411927 217049943 /nfs/dbraw/zinc/04/99/43/217049943.db2.gz IMDXDXGXTSFCRF-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000084809420 217648285 /nfs/dbraw/zinc/64/82/85/217648285.db2.gz LAHQOGQJFTZYHB-SJKOYZFVSA-N 0 0 348.399 3.202 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC12CCC2 ZINC000408318430 296226772 /nfs/dbraw/zinc/22/67/72/296226772.db2.gz DCPYINWGGBTOAU-UHFFFAOYSA-N 0 0 325.162 3.126 10 5 EGBERN Cc1csc(C2(NC(=O)c3cccc([N+](=O)[O-])c3C)CCC2)n1 ZINC000265263572 247351446 /nfs/dbraw/zinc/35/14/46/247351446.db2.gz FDKJIWLLGHMXNZ-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN Cc1cccc(C(=O)OCC(=O)N[C@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC000013159821 211531409 /nfs/dbraw/zinc/53/14/09/211531409.db2.gz PUWWNBFKMOWXLK-CYBMUJFWSA-N 0 0 336.388 3.001 10 5 EGBERN CCOC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000265643735 247668018 /nfs/dbraw/zinc/66/80/18/247668018.db2.gz RDJFUYQHHRATIS-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN COc1cc(C(=O)N2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000378257738 169092533 /nfs/dbraw/zinc/09/25/33/169092533.db2.gz DHGVIRYZNIZIPC-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378644045 169152156 /nfs/dbraw/zinc/15/21/56/169152156.db2.gz KYIBZSQCAMUDKK-AWEZNQCLSA-N 0 0 330.315 3.027 10 5 EGBERN Cc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000407970945 169154629 /nfs/dbraw/zinc/15/46/29/169154629.db2.gz FBRTULJJYACLLJ-UHFFFAOYSA-N 0 0 326.418 3.102 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000408199105 169164770 /nfs/dbraw/zinc/16/47/70/169164770.db2.gz PVAQZCLMFLKFLZ-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN CC1(C)CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000091439128 218005596 /nfs/dbraw/zinc/00/55/96/218005596.db2.gz XXSBPFXLOXYJQT-UHFFFAOYSA-N 0 0 327.178 3.229 10 5 EGBERN Cc1csc([C@@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000092789928 218167198 /nfs/dbraw/zinc/16/71/98/218167198.db2.gz LSUQGCOXEJLCGW-HNNXBMFYSA-N 0 0 333.413 3.242 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000268619811 252074543 /nfs/dbraw/zinc/07/45/43/252074543.db2.gz BFRDANCHGDTAPK-KEYYUXOJSA-N 0 0 346.383 3.073 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CCC(Oc2cnccn2)CC1 ZINC000376469212 285117020 /nfs/dbraw/zinc/11/70/20/285117020.db2.gz ZHSZSVDJXWOXBC-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN O=[N+]([O-])c1sc(N2CCC=C(F)C2)nc1N1CCC=C(F)C1 ZINC000362643947 285191085 /nfs/dbraw/zinc/19/10/85/285191085.db2.gz OKTBWNWBPKPRPX-UHFFFAOYSA-N 0 0 328.344 3.178 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000344780904 291906031 /nfs/dbraw/zinc/90/60/31/291906031.db2.gz UDCCCOJYAWDFKF-CYBMUJFWSA-N 0 0 340.807 3.444 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189860377 533464371 /nfs/dbraw/zinc/46/43/71/533464371.db2.gz RBHDAAAHGJCABY-NOZJJQNGSA-N 0 0 327.768 3.137 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc([N+](=O)[O-])c1C ZINC000191794753 533517991 /nfs/dbraw/zinc/51/79/91/533517991.db2.gz XACMAFYNPBJMHL-CQSZACIVSA-N 0 0 344.371 3.002 10 5 EGBERN Cc1cc(NC(=O)CC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161832042 140975579 /nfs/dbraw/zinc/97/55/79/140975579.db2.gz PPMAGDBOGFXUCV-LBPRGKRZSA-N 0 0 329.356 3.207 10 5 EGBERN COCc1ccsc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000182600796 140986409 /nfs/dbraw/zinc/98/64/09/140986409.db2.gz NTCFNAJJSDQXNN-SNVBAGLBSA-N 0 0 332.381 3.394 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246652088 141022723 /nfs/dbraw/zinc/02/27/23/141022723.db2.gz CPTWAVSAQPQWEB-SUHUHFCYSA-N 0 0 339.779 3.327 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000246695282 141025873 /nfs/dbraw/zinc/02/58/73/141025873.db2.gz MZWBOFMEUKATRT-VNQPRFMTSA-N 0 0 340.807 3.017 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2[nH]ccc2s1 ZINC000338141372 141101700 /nfs/dbraw/zinc/10/17/00/141101700.db2.gz AWNJBZRPXSFXSW-UHFFFAOYSA-N 0 0 329.381 3.452 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338143241 141102221 /nfs/dbraw/zinc/10/22/21/141102221.db2.gz MZCYOYYQHPHLBR-UHFFFAOYSA-N 0 0 343.383 3.158 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(OC)cc2Cl)n1 ZINC000346201384 141179118 /nfs/dbraw/zinc/17/91/18/141179118.db2.gz NFYSIBGQBPEBNL-UHFFFAOYSA-N 0 0 338.751 3.034 10 5 EGBERN CCOc1cc(CCCNc2ccc([N+](=O)[O-])nc2)ccc1OC ZINC000346430954 141193683 /nfs/dbraw/zinc/19/36/83/141193683.db2.gz YLNGCOZQUKDNNN-UHFFFAOYSA-N 0 0 331.372 3.442 10 5 EGBERN COc1ccc(NC(=O)c2ccc3nc(C)oc3c2)c([N+](=O)[O-])c1 ZINC000347989274 141229749 /nfs/dbraw/zinc/22/97/49/141229749.db2.gz NHGWUEKUBNMCHE-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cc1sc(C(=O)NCc2nc(-c3cccs3)c[nH]2)cc1[N+](=O)[O-] ZINC000347989814 141229753 /nfs/dbraw/zinc/22/97/53/141229753.db2.gz UKTVUIZQOKMSFU-UHFFFAOYSA-N 0 0 348.409 3.346 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000348000007 141230664 /nfs/dbraw/zinc/23/06/64/141230664.db2.gz SHHPKOXALYAECL-QFYYESIMSA-N 0 0 336.351 3.134 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000348175370 141245257 /nfs/dbraw/zinc/24/52/57/141245257.db2.gz SJZMOPMXEAGNLK-AWEZNQCLSA-N 0 0 345.330 3.405 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000352962306 141278320 /nfs/dbraw/zinc/27/83/20/141278320.db2.gz LLWAZLGCOIXOED-LLVKDONJSA-N 0 0 336.417 3.215 10 5 EGBERN COc1ccccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171196984 144001969 /nfs/dbraw/zinc/00/19/69/144001969.db2.gz PATYQIQDVLJONP-MRXNPFEDSA-N 0 0 341.367 3.284 10 5 EGBERN COC(=O)c1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000171743795 144010097 /nfs/dbraw/zinc/01/00/97/144010097.db2.gz ALYVEMCPFQVNEZ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000172443103 144021216 /nfs/dbraw/zinc/02/12/16/144021216.db2.gz HLEFTHNGCXONJQ-UKRRQHHQSA-N 0 0 347.758 3.028 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)n1 ZINC000173416413 144041873 /nfs/dbraw/zinc/04/18/73/144041873.db2.gz VQVQRNGFJREXOC-LBPRGKRZSA-N 0 0 346.412 3.083 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCC[C@H]2O ZINC000183837614 144080599 /nfs/dbraw/zinc/08/05/99/144080599.db2.gz NMKHUHDNKDKNHE-CQSZACIVSA-N 0 0 329.312 3.055 10 5 EGBERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186885535 144146349 /nfs/dbraw/zinc/14/63/49/144146349.db2.gz GXFBOKLRSTVSLT-SECBINFHSA-N 0 0 335.747 3.182 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC=C(c2ccco2)C1 ZINC000344697938 144211274 /nfs/dbraw/zinc/21/12/74/144211274.db2.gz WNKGLNYGLWAIDX-UHFFFAOYSA-N 0 0 348.305 3.324 10 5 EGBERN CO[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cnc3C)cccc21 ZINC000344926026 144243283 /nfs/dbraw/zinc/24/32/83/144243283.db2.gz SIDXADKUNNYXLV-OAHLLOKOSA-N 0 0 343.339 3.021 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)c[nH]1 ZINC000351583360 144283434 /nfs/dbraw/zinc/28/34/34/144283434.db2.gz OVJSXBJJFSXYKY-UHFFFAOYSA-N 0 0 331.225 3.011 10 5 EGBERN O=C(NCc1cscn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361697424 144351042 /nfs/dbraw/zinc/35/10/42/144351042.db2.gz QCQQOCGSPCHYSI-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN CC(=O)NCc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)o1 ZINC000363835307 144370265 /nfs/dbraw/zinc/37/02/65/144370265.db2.gz NHBUUXCROPULLE-MRXNPFEDSA-N 0 0 347.346 3.305 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000364021943 144384592 /nfs/dbraw/zinc/38/45/92/144384592.db2.gz XGRMZTYYLMSQNB-RHSMWYFYSA-N 0 0 341.367 3.494 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2)C1 ZINC000364268001 144394063 /nfs/dbraw/zinc/39/40/63/144394063.db2.gz SEYUASKIZIYGOZ-LBPRGKRZSA-N 0 0 348.305 3.167 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000374533242 144546687 /nfs/dbraw/zinc/54/66/87/144546687.db2.gz FSAHGVVXJGDHRS-UHFFFAOYSA-N 0 0 345.786 3.266 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374683597 144554162 /nfs/dbraw/zinc/55/41/62/144554162.db2.gz RUZWKWFDWBNWLW-ZDUSSCGKSA-N 0 0 331.397 3.065 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CCC(C(F)(F)F)CC1 ZINC000341069947 155138841 /nfs/dbraw/zinc/13/88/41/155138841.db2.gz MOYGMUWJCMSKPQ-UHFFFAOYSA-N 0 0 343.309 3.195 10 5 EGBERN C[C@H](NC(=O)Cc1noc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341282231 155228616 /nfs/dbraw/zinc/22/86/16/155228616.db2.gz ICDDCWOHBVEDEO-NSHDSACASA-N 0 0 325.324 3.156 10 5 EGBERN COc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000341327483 286200357 /nfs/dbraw/zinc/20/03/57/286200357.db2.gz HFGZFVLUDWFBSK-NSHDSACASA-N 0 0 342.351 3.329 10 5 EGBERN CCc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000341413608 155278489 /nfs/dbraw/zinc/27/84/89/155278489.db2.gz WUGVFNGUWDUHIZ-INIZCTEOSA-N 0 0 332.400 3.188 10 5 EGBERN COCc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000115241926 152001735 /nfs/dbraw/zinc/00/17/35/152001735.db2.gz MBCILOMUSCWOEZ-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN Cc1cc(F)ccc1N1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1=O ZINC000117108619 152086347 /nfs/dbraw/zinc/08/63/47/152086347.db2.gz SZOMCOULUNLSIV-OAHLLOKOSA-N 0 0 345.330 3.012 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1C ZINC000121312886 152341507 /nfs/dbraw/zinc/34/15/07/152341507.db2.gz UEMUWRUSZQBTMA-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121621972 152362719 /nfs/dbraw/zinc/36/27/19/152362719.db2.gz CKKAIHMGKWURCE-UHFFFAOYSA-N 0 0 347.758 3.483 10 5 EGBERN COc1ccc(CCCNc2nc(C)ccc2[N+](=O)[O-])cc1OC ZINC000122256911 152399411 /nfs/dbraw/zinc/39/94/11/152399411.db2.gz INFMNKURPRMIAL-UHFFFAOYSA-N 0 0 331.372 3.360 10 5 EGBERN CCOc1ccc(C(=O)N2CCSc3ccncc32)cc1[N+](=O)[O-] ZINC000125113532 152467488 /nfs/dbraw/zinc/46/74/88/152467488.db2.gz XMKLBXFLIKJFJZ-UHFFFAOYSA-N 0 0 345.380 3.141 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(F)c1F ZINC000341582041 155367106 /nfs/dbraw/zinc/36/71/06/155367106.db2.gz BXXDJONIIWMIBC-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN COc1cc(C(=O)N(C)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000190577992 153150168 /nfs/dbraw/zinc/15/01/68/153150168.db2.gz DCYSGCPAIDLLLY-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN CCOC[C@H](NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000190988988 153170576 /nfs/dbraw/zinc/17/05/76/153170576.db2.gz NNFVUKOYPJRADR-CVEARBPZSA-N 0 0 337.420 3.406 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191197272 153179601 /nfs/dbraw/zinc/17/96/01/153179601.db2.gz YSBYDWHWRUSRID-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN COc1cccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000194339324 153331379 /nfs/dbraw/zinc/33/13/79/153331379.db2.gz OEFFMEALXNFWDP-UKRRQHHQSA-N 0 0 326.352 3.137 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000194848997 153362184 /nfs/dbraw/zinc/36/21/84/153362184.db2.gz GNAMDXUMJSGQSW-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cccc(F)c1 ZINC000217071728 153420241 /nfs/dbraw/zinc/42/02/41/153420241.db2.gz VSAHUVYKENTRQM-UHFFFAOYSA-N 0 0 331.347 3.138 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3-n3cccn3)nc2c1 ZINC000327136947 154186396 /nfs/dbraw/zinc/18/63/96/154186396.db2.gz LNKOIUQDLKFTTD-UHFFFAOYSA-N 0 0 334.339 3.269 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@@H]1C(F)F ZINC000337285108 154260586 /nfs/dbraw/zinc/26/05/86/154260586.db2.gz LMTAFFTXPUEQKL-CYBMUJFWSA-N 0 0 335.310 3.403 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1nc2cc(Cl)ccc2s1 ZINC000340157874 155117049 /nfs/dbraw/zinc/11/70/49/155117049.db2.gz HUOALDVDZUFIRS-UHFFFAOYSA-N 0 0 334.788 3.329 10 5 EGBERN Cc1nc(-c2ccc(CCNc3ccncc3[N+](=O)[O-])cc2)cs1 ZINC000340157342 155117376 /nfs/dbraw/zinc/11/73/76/155117376.db2.gz SAIDABYBZWEANG-UHFFFAOYSA-N 0 0 340.408 3.498 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930061 155586796 /nfs/dbraw/zinc/58/67/96/155586796.db2.gz DGIHMUQQGRCLSE-BLLLJJGKSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934363 155587948 /nfs/dbraw/zinc/58/79/48/155587948.db2.gz LPEHUEVPVCIWCU-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000343094146 155646385 /nfs/dbraw/zinc/64/63/85/155646385.db2.gz DWTFLFCIDQQOAF-UHFFFAOYSA-N 0 0 347.415 3.091 10 5 EGBERN C[C@H](CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccnc1 ZINC000345471700 156120239 /nfs/dbraw/zinc/12/02/39/156120239.db2.gz WYUAGQCCWJEOQK-GFCCVEGCSA-N 0 0 336.351 3.092 10 5 EGBERN CCOc1c(F)cccc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346887277 156179125 /nfs/dbraw/zinc/17/91/25/156179125.db2.gz SGWGFXXKKSGQOM-UHFFFAOYSA-N 0 0 344.302 3.168 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000349106493 156355666 /nfs/dbraw/zinc/35/56/66/156355666.db2.gz XOHUBLPVSPXWGF-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN C[C@@H](CC(F)(F)F)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000362006103 156979391 /nfs/dbraw/zinc/97/93/91/156979391.db2.gz PJCTVZUWLJOMRJ-LURJTMIESA-N 0 0 342.220 3.267 10 5 EGBERN CCNc1ccc(C(=O)N2Cc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000362135985 157038582 /nfs/dbraw/zinc/03/85/82/157038582.db2.gz CHQQIUXNZTXVQP-UHFFFAOYSA-N 0 0 325.368 3.491 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@]2(C1)CCCOC2 ZINC000377876975 157432899 /nfs/dbraw/zinc/43/28/99/157432899.db2.gz ABIZWIYIJLXKOQ-OAHLLOKOSA-N 0 0 339.779 3.283 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000078004927 161754323 /nfs/dbraw/zinc/75/43/23/161754323.db2.gz BQJVSYYJBUQWBZ-LLVKDONJSA-N 0 0 334.401 3.364 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000105849731 162059819 /nfs/dbraw/zinc/05/98/19/162059819.db2.gz GEFUMWXXOYFQIV-OAHLLOKOSA-N 0 0 346.362 3.062 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109088292 162091943 /nfs/dbraw/zinc/09/19/43/162091943.db2.gz GQLNGHJZXWOUBW-CHWSQXEVSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000113215430 162205083 /nfs/dbraw/zinc/20/50/83/162205083.db2.gz FRGHXXUOZUDBDX-LJQANCHMSA-N 0 0 339.395 3.492 10 5 EGBERN CCC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCCCC1 ZINC000336949088 163092274 /nfs/dbraw/zinc/09/22/74/163092274.db2.gz RGHRJCFRRHIWBB-OAHLLOKOSA-N 0 0 336.436 3.355 10 5 EGBERN CCOC(=O)c1sc([C@H](C)Nc2ncc([N+](=O)[O-])s2)nc1C ZINC000337019574 163106752 /nfs/dbraw/zinc/10/67/52/163106752.db2.gz PNLMROFOUCBCLP-ZETCQYMHSA-N 0 0 342.402 3.166 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1Cl ZINC000354314466 166001941 /nfs/dbraw/zinc/00/19/41/166001941.db2.gz CBPPWOHIQLCNBL-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3ccccc3n2)c1 ZINC000354343237 166006072 /nfs/dbraw/zinc/00/60/72/166006072.db2.gz LDKFXVPSZNZSRT-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC[C@H](NC(=O)NC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338654505 163308030 /nfs/dbraw/zinc/30/80/30/163308030.db2.gz GPOLUFWQDMFSGP-INIZCTEOSA-N 0 0 349.431 3.430 10 5 EGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])nc2)c(Cl)c1OC ZINC000338729396 163333580 /nfs/dbraw/zinc/33/35/80/163333580.db2.gz DOQBCRUYQISPJU-UHFFFAOYSA-N 0 0 337.763 3.315 10 5 EGBERN Cc1ccc(NC(=O)NCCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000340350856 163556576 /nfs/dbraw/zinc/55/65/76/163556576.db2.gz NUNMSQUBLXIMLF-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343622441 163996479 /nfs/dbraw/zinc/99/64/79/163996479.db2.gz NORLAMUNVZMNTE-CQSZACIVSA-N 0 0 327.384 3.364 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]c(N(C)C)nc2c1 ZINC000344110484 164105269 /nfs/dbraw/zinc/10/52/69/164105269.db2.gz YNNIUJQXVVOKOV-UHFFFAOYSA-N 0 0 339.355 3.098 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000344260727 164139999 /nfs/dbraw/zinc/13/99/99/164139999.db2.gz WFALJPHPZWBNTE-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344272022 164142417 /nfs/dbraw/zinc/14/24/17/164142417.db2.gz HLOUHXJTWMOISA-OAHLLOKOSA-N 0 0 330.315 3.214 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2cccs2)n1 ZINC000344596770 164196188 /nfs/dbraw/zinc/19/61/88/164196188.db2.gz WDBPXLGWYYPWHR-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC1(F)CCC1 ZINC000345747987 164257859 /nfs/dbraw/zinc/25/78/59/164257859.db2.gz PDQNXJXFSWVAPP-UHFFFAOYSA-N 0 0 344.770 3.416 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1(F)CCC1 ZINC000345758273 164260097 /nfs/dbraw/zinc/26/00/97/164260097.db2.gz SZOSNBJADXPMMC-SNVBAGLBSA-N 0 0 344.770 3.414 10 5 EGBERN O=C(NC[C@@H]1CCCSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345911578 164293273 /nfs/dbraw/zinc/29/32/73/164293273.db2.gz VOMNZRSOIXFQEC-VIFPVBQESA-N 0 0 346.355 3.069 10 5 EGBERN CCOc1cc(NC(=O)CCCSC)c([N+](=O)[O-])cc1OCC ZINC000346100239 164336344 /nfs/dbraw/zinc/33/63/44/164336344.db2.gz YKOKHMOKYZHOGV-UHFFFAOYSA-N 0 0 342.417 3.474 10 5 EGBERN Cc1cc(OCc2nc([C@H]3CCO[C@@H](C)C3)no2)ccc1[N+](=O)[O-] ZINC000346654331 164411026 /nfs/dbraw/zinc/41/10/26/164411026.db2.gz SXLWEMXDSRSZSW-RYUDHWBXSA-N 0 0 333.344 3.148 10 5 EGBERN COc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000354955372 166072679 /nfs/dbraw/zinc/07/26/79/166072679.db2.gz ZAWORMFSJHXROB-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCc1cccc(-n2cccn2)c1 ZINC000349948530 164979358 /nfs/dbraw/zinc/97/93/58/164979358.db2.gz PNADZJUYGSPCJJ-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](CO)c3ccsc3)co2)cc1 ZINC000352033135 165201205 /nfs/dbraw/zinc/20/12/05/165201205.db2.gz QTKQXAMAFWLIPC-HNNXBMFYSA-N 0 0 345.380 3.135 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1C ZINC000352035646 165202795 /nfs/dbraw/zinc/20/27/95/165202795.db2.gz SLDJEMBKTWRABC-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000355022456 166087285 /nfs/dbraw/zinc/08/72/85/166087285.db2.gz MPHPQHBKJOXPKY-HUUCEWRRSA-N 0 0 332.400 3.161 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000352217632 165290255 /nfs/dbraw/zinc/29/02/55/165290255.db2.gz QTZNZDXHHOPRGG-QPUJVOFHSA-N 0 0 341.289 3.489 10 5 EGBERN COc1cc(CNc2cccc(NC(C)=O)c2C)ccc1[N+](=O)[O-] ZINC000352290128 165327149 /nfs/dbraw/zinc/32/71/49/165327149.db2.gz OJYUJXSJKQQRMD-UHFFFAOYSA-N 0 0 329.356 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355114273 166110423 /nfs/dbraw/zinc/11/04/23/166110423.db2.gz OSHFDOBKXDMTDX-SMDDNHRTSA-N 0 0 342.342 3.197 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000355138857 166115959 /nfs/dbraw/zinc/11/59/59/166115959.db2.gz RYXNCOVVFUIVFA-SSDOTTSWSA-N 0 0 343.265 3.219 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000355163915 166121089 /nfs/dbraw/zinc/12/10/89/166121089.db2.gz MYSFPEARWVOFJY-KZULUSFZSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000355182667 166125675 /nfs/dbraw/zinc/12/56/75/166125675.db2.gz DTEOQPNEXCBYJZ-PWSUYJOCSA-N 0 0 330.306 3.498 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(C)n1 ZINC000355813704 166318075 /nfs/dbraw/zinc/31/80/75/166318075.db2.gz DCFSXIVJKCNSRE-UHFFFAOYSA-N 0 0 346.412 3.125 10 5 EGBERN COc1ccc(C(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000355886467 166337960 /nfs/dbraw/zinc/33/79/60/166337960.db2.gz AZGSDFZBVXNHQG-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN O=C(Nc1ncc(C(F)(F)F)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000355895891 166340903 /nfs/dbraw/zinc/34/09/03/166340903.db2.gz UDKVBPSWQOLSQM-UHFFFAOYSA-N 0 0 335.238 3.462 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000355962911 166360532 /nfs/dbraw/zinc/36/05/32/166360532.db2.gz XYOWSCRLZMEMBS-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000356075196 166393149 /nfs/dbraw/zinc/39/31/49/166393149.db2.gz IGRBDEDRJJCZFB-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)C2 ZINC000357487355 166692523 /nfs/dbraw/zinc/69/25/23/166692523.db2.gz ZFOFAVMKNRXBEO-DIFFPNOSSA-N 0 0 325.368 3.149 10 5 EGBERN COCc1cccc(OCC2(Cn3c(C)ncc3[N+](=O)[O-])CCC2)c1 ZINC000358558975 166899177 /nfs/dbraw/zinc/89/91/77/166899177.db2.gz ZOXXRDBEODXTTQ-UHFFFAOYSA-N 0 0 345.399 3.495 10 5 EGBERN COc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000359082738 167061297 /nfs/dbraw/zinc/06/12/97/167061297.db2.gz MEJFYSQZPKRLSV-UHFFFAOYSA-N 0 0 333.344 3.376 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359138708 167078274 /nfs/dbraw/zinc/07/82/74/167078274.db2.gz DSALIMRGMSLOOA-KDOFPFPSSA-N 0 0 331.416 3.436 10 5 EGBERN COC(=O)c1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000359157286 167084147 /nfs/dbraw/zinc/08/41/47/167084147.db2.gz NDRWIJUNXPKJQB-SGTLLEGYSA-N 0 0 346.383 3.034 10 5 EGBERN O=C(Nc1ncc(-c2cccnc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000359357139 167135165 /nfs/dbraw/zinc/13/51/65/167135165.db2.gz FDPRYUJYFVBFSM-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN COc1cc(NCc2nccn2CC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000359506051 167174930 /nfs/dbraw/zinc/17/49/30/167174930.db2.gz IUEKVQYMMHNVOX-UHFFFAOYSA-N 0 0 348.256 3.113 10 5 EGBERN Cc1cc(Sc2nnnn2-c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000359835511 167245101 /nfs/dbraw/zinc/24/51/01/167245101.db2.gz DWTFCWOMYKRKGD-UHFFFAOYSA-N 0 0 331.332 3.169 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000360458132 167334413 /nfs/dbraw/zinc/33/44/13/167334413.db2.gz GAHHJLPFZCOHJT-CVEARBPZSA-N 0 0 346.408 3.046 10 5 EGBERN COc1cc(C(=O)N2CC(c3ccccc3F)C2)cc([N+](=O)[O-])c1C ZINC000361225501 167561378 /nfs/dbraw/zinc/56/13/78/167561378.db2.gz UHQZTQUXNMQNSD-UHFFFAOYSA-N 0 0 344.342 3.291 10 5 EGBERN Cc1cc(C(=O)N2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000367300953 168203612 /nfs/dbraw/zinc/20/36/12/168203612.db2.gz WQIXJOLVSCGGKJ-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NCc1ccnc(-n2ccnc2)c1 ZINC000367788796 168270438 /nfs/dbraw/zinc/27/04/38/168270438.db2.gz CTYUMEBBPAQZHD-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1c(CC(=O)N(C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000162786254 225872111 /nfs/dbraw/zinc/87/21/11/225872111.db2.gz XTVXIRWNBZRUNN-UHFFFAOYSA-N 0 0 330.359 3.286 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000120716773 221654846 /nfs/dbraw/zinc/65/48/46/221654846.db2.gz STDVQVAXIONZBL-INIZCTEOSA-N 0 0 346.408 3.189 10 5 EGBERN NC(=O)[C@@H]1CCC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000125185070 222531070 /nfs/dbraw/zinc/53/10/70/222531070.db2.gz XMHDJKDJDKSCOM-HTQZYQBOSA-N 0 0 332.187 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(Cn3cccn3)CC2)c1 ZINC000172179400 227521024 /nfs/dbraw/zinc/52/10/24/227521024.db2.gz HGBOQFPVAOTVES-UHFFFAOYSA-N 0 0 334.807 3.357 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000160154624 264868820 /nfs/dbraw/zinc/86/88/20/264868820.db2.gz QUVAZEBZPSTAQP-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cn1cc(CSc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000176932221 265215371 /nfs/dbraw/zinc/21/53/71/265215371.db2.gz CIKJXBKYBGFWRT-UHFFFAOYSA-N 0 0 328.191 3.383 10 5 EGBERN Cc1cnc([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000177913128 265285574 /nfs/dbraw/zinc/28/55/74/265285574.db2.gz KTYSDXUTUCVYPU-SECBINFHSA-N 0 0 330.369 3.332 10 5 EGBERN COC(=O)c1cc(OCc2nc(C3CCCC3)no2)ccc1[N+](=O)[O-] ZINC000179271534 265369975 /nfs/dbraw/zinc/36/99/75/265369975.db2.gz VDIJWZSMSLCYOU-UHFFFAOYSA-N 0 0 347.327 3.001 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCOc3ccc4ccccc4c3)nn21 ZINC000179978897 265394201 /nfs/dbraw/zinc/39/42/01/265394201.db2.gz ZOIQZYKVGOVEAO-UHFFFAOYSA-N 0 0 349.350 3.282 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175553 265397226 /nfs/dbraw/zinc/39/72/26/265397226.db2.gz FDOQRLDEEQDNMO-XJKSGUPXSA-N 0 0 345.424 3.140 10 5 EGBERN CCCNc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000193019652 266004479 /nfs/dbraw/zinc/00/44/79/266004479.db2.gz DEZOPFHMOWLBTE-UHFFFAOYSA-N 0 0 328.372 3.050 10 5 EGBERN C[C@@H]1C[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269630730 266329507 /nfs/dbraw/zinc/32/95/07/266329507.db2.gz HRBCLDRTNUZAGC-RNFRBKRXSA-N 0 0 347.596 3.397 10 5 EGBERN CCCNc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272338985 266820684 /nfs/dbraw/zinc/82/06/84/266820684.db2.gz OCVBJQWKQVJVQX-UHFFFAOYSA-N 0 0 337.767 3.056 10 5 EGBERN C[C@H](c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1)C1CC1 ZINC000274000891 267162633 /nfs/dbraw/zinc/16/26/33/267162633.db2.gz NQAQETOYQUFUNM-QMMMGPOBSA-N 0 0 326.312 3.412 10 5 EGBERN COc1cccc(N[C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000274714737 267276685 /nfs/dbraw/zinc/27/66/85/267276685.db2.gz VWSXGOIYEADOAA-LBPRGKRZSA-N 0 0 338.429 3.460 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000274773162 267284979 /nfs/dbraw/zinc/28/49/79/267284979.db2.gz DFMDOCHPORZNCR-HIFRSBDPSA-N 0 0 335.404 3.164 10 5 EGBERN COc1cc(N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000277290379 267750188 /nfs/dbraw/zinc/75/01/88/267750188.db2.gz UQNXZTXNZBDAHF-CYBMUJFWSA-N 0 0 332.360 3.451 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](c4cccs4)C3)nc2c1 ZINC000278478963 268022382 /nfs/dbraw/zinc/02/23/82/268022382.db2.gz ONQRLPZWGBAONU-ZDUSSCGKSA-N 0 0 330.369 3.111 10 5 EGBERN CO[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cnc3C)cccc21 ZINC000344926024 274081528 /nfs/dbraw/zinc/08/15/28/274081528.db2.gz SIDXADKUNNYXLV-HNNXBMFYSA-N 0 0 343.339 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000194832218 275035560 /nfs/dbraw/zinc/03/55/60/275035560.db2.gz RFDZFWKJQUHMOB-AWEZNQCLSA-N 0 0 347.302 3.256 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc2ccccc2c1 ZINC000041339973 275124502 /nfs/dbraw/zinc/12/45/02/275124502.db2.gz BLVDQPJNGXTZQC-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1COc2ccccc21 ZINC000127666449 275192164 /nfs/dbraw/zinc/19/21/64/275192164.db2.gz CHMLURLYEUGVIM-ZDUSSCGKSA-N 0 0 327.340 3.467 10 5 EGBERN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000184987594 275214339 /nfs/dbraw/zinc/21/43/39/275214339.db2.gz AOXAWHPJRNDTCW-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN CC[C@@H](NC(=O)c1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000188617816 275218747 /nfs/dbraw/zinc/21/87/47/275218747.db2.gz VHADEEUXZATHQJ-GFCCVEGCSA-N 0 0 330.369 3.185 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189608615 275219979 /nfs/dbraw/zinc/21/99/79/275219979.db2.gz GIMNSNMODCQTCS-LBPRGKRZSA-N 0 0 338.429 3.394 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278816463 275277514 /nfs/dbraw/zinc/27/75/14/275277514.db2.gz PKWBTOGTHKLZLR-QWRGUYRKSA-N 0 0 345.321 3.196 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000281227398 275531914 /nfs/dbraw/zinc/53/19/14/275531914.db2.gz DUSJFXMTBWKWQO-ZDUSSCGKSA-N 0 0 342.351 3.183 10 5 EGBERN CC(C)c1nnc2n1CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]2C ZINC000189514086 275776052 /nfs/dbraw/zinc/77/60/52/275776052.db2.gz LTMSOKXPJLWVBP-NSHDSACASA-N 0 0 333.367 3.026 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000285832328 275917826 /nfs/dbraw/zinc/91/78/26/275917826.db2.gz ZXDZLOWWSMQYBN-GFCCVEGCSA-N 0 0 347.396 3.488 10 5 EGBERN CCC(=O)c1ccc(N2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000286576536 276018745 /nfs/dbraw/zinc/01/87/45/276018745.db2.gz QTPJPJNMGJUVMG-LLVKDONJSA-N 0 0 328.315 3.048 10 5 EGBERN Cc1nn(CCC(=O)N2CCc3cc(C)c(C)cc32)c(C)c1[N+](=O)[O-] ZINC000286751676 276040051 /nfs/dbraw/zinc/04/00/51/276040051.db2.gz FQFNHZUAVYPJKH-UHFFFAOYSA-N 0 0 342.399 3.004 10 5 EGBERN Cc1ccc(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000287411358 276117115 /nfs/dbraw/zinc/11/71/15/276117115.db2.gz DCAFGSZLLYLLGQ-UHFFFAOYSA-N 0 0 333.775 3.153 10 5 EGBERN Cc1ccc(CC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c(Cl)n1 ZINC000288563600 276228549 /nfs/dbraw/zinc/22/85/49/276228549.db2.gz AFOVMFIGCJWUTI-UHFFFAOYSA-N 0 0 349.774 3.249 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000288743291 276247784 /nfs/dbraw/zinc/24/77/84/276247784.db2.gz ICERRQYJBDSNKY-CXAGYDPISA-N 0 0 343.383 3.455 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC3(C2)Oc2ccccc2O3)c(F)c1 ZINC000289151487 276297336 /nfs/dbraw/zinc/29/73/36/276297336.db2.gz ZNQZVSFOFDHOPC-UHFFFAOYSA-N 0 0 330.315 3.107 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nccs1 ZINC000289781151 276393367 /nfs/dbraw/zinc/39/33/67/276393367.db2.gz LZFXNBLNXAXXEW-UHFFFAOYSA-N 0 0 334.401 3.368 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C1CCC1 ZINC000290137908 276451770 /nfs/dbraw/zinc/45/17/70/276451770.db2.gz HUVMNURMWHCXHL-OAHLLOKOSA-N 0 0 327.388 3.159 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000373646559 276576792 /nfs/dbraw/zinc/57/67/92/276576792.db2.gz XHZRTGFFLHNEBX-IUODEOHRSA-N 0 0 326.780 3.023 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCOC1CCOCC1 ZINC000291898480 276705314 /nfs/dbraw/zinc/70/53/14/276705314.db2.gz KADSQRBCTUAWMV-UHFFFAOYSA-N 0 0 331.372 3.141 10 5 EGBERN CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000292761336 276870786 /nfs/dbraw/zinc/87/07/86/276870786.db2.gz KHVSGJRWVXODSE-UHFFFAOYSA-N 0 0 333.344 3.161 10 5 EGBERN CCOC(=O)c1cc(NCc2c(C)onc2CC)ccc1[N+](=O)[O-] ZINC000292794022 276876098 /nfs/dbraw/zinc/87/60/98/276876098.db2.gz MVBIEDLPZIWSBO-UHFFFAOYSA-N 0 0 333.344 3.242 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1F ZINC000103377077 277875884 /nfs/dbraw/zinc/87/58/84/277875884.db2.gz PQDVQVMGRTWLBL-JTQLQIEISA-N 0 0 330.315 3.334 10 5 EGBERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2ncc([N+](=O)[O-])s2)o1 ZINC000195510166 279232376 /nfs/dbraw/zinc/23/23/76/279232376.db2.gz IICNUFMJEAZLCO-LBPRGKRZSA-N 0 0 343.368 3.047 10 5 EGBERN C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000363872565 280088859 /nfs/dbraw/zinc/08/88/59/280088859.db2.gz NSXXVWIOWHOBCK-MLGOLLRUSA-N 0 0 343.408 3.309 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(C2CCOCC2)CC1 ZINC000133610601 280358500 /nfs/dbraw/zinc/35/85/00/280358500.db2.gz ZSKOKZQSPJYCFT-UHFFFAOYSA-N 0 0 325.796 3.286 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccccc2F)CC1 ZINC000153504032 280358846 /nfs/dbraw/zinc/35/88/46/280358846.db2.gz OHSWNMWTSRKFAM-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CCOc3c(C)cccc32)cc([N+](=O)[O-])c1 ZINC000190641191 280361158 /nfs/dbraw/zinc/36/11/58/280361158.db2.gz ZQMFTVBJNFAOLR-INIZCTEOSA-N 0 0 326.352 3.465 10 5 EGBERN CC[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376386317 288299661 /nfs/dbraw/zinc/29/96/61/288299661.db2.gz UKGOJQXWGDSCRJ-SWLSCSKDSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](C)C2 ZINC000182203892 281113877 /nfs/dbraw/zinc/11/38/77/281113877.db2.gz WRZBRAWIRPVBKP-PIGZYNQJSA-N 0 0 325.368 3.270 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000365126702 281289549 /nfs/dbraw/zinc/28/95/49/281289549.db2.gz SASFCYKGRVKEHJ-CQSZACIVSA-N 0 0 348.305 3.435 10 5 EGBERN Cc1nnc([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000338332142 293366633 /nfs/dbraw/zinc/36/66/33/293366633.db2.gz GNXSMAGZDBAQJG-AWEZNQCLSA-N 0 0 335.795 3.402 10 5 EGBERN Cc1cc(N2CCO[C@H]3CCC[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000408298394 301340089 /nfs/dbraw/zinc/34/00/89/301340089.db2.gz OFQZAJGAAJGYBQ-FZMZJTMJSA-N 0 0 341.205 3.423 10 5 EGBERN CC(C)COC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054322068 307337422 /nfs/dbraw/zinc/33/74/22/307337422.db2.gz QPCOOGOWEAOFKP-AWEZNQCLSA-N 0 0 349.431 3.059 10 5 EGBERN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243838 307356836 /nfs/dbraw/zinc/35/68/36/307356836.db2.gz HYMCXVQYHFJPTG-UHFFFAOYSA-N 0 0 330.362 3.011 10 5 EGBERN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000066000544 307361008 /nfs/dbraw/zinc/36/10/08/307361008.db2.gz KHBASQVPDLIYPH-JTQLQIEISA-N 0 0 338.410 3.359 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000413984172 309055300 /nfs/dbraw/zinc/05/53/00/309055300.db2.gz LGLKJDLKWHTJMO-AXFHLTTASA-N 0 0 326.780 3.100 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)O1 ZINC000413999569 309055946 /nfs/dbraw/zinc/05/59/46/309055946.db2.gz XAPUFFWWHDJXGR-OPRDCNLKSA-N 0 0 346.305 3.157 10 5 EGBERN CCc1noc(C)c1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126981294 307577316 /nfs/dbraw/zinc/57/73/16/307577316.db2.gz JCIFQPGPEVBCEH-UHFFFAOYSA-N 0 0 332.360 3.284 10 5 EGBERN Cc1cccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000130362294 307627342 /nfs/dbraw/zinc/62/73/42/307627342.db2.gz MZJHRIOIEBAGHH-LBPRGKRZSA-N 0 0 331.397 3.095 10 5 EGBERN Cc1c(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000151651047 307736548 /nfs/dbraw/zinc/73/65/48/307736548.db2.gz NWRCCBRMLPAUTI-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000153934395 307784319 /nfs/dbraw/zinc/78/43/19/307784319.db2.gz ZTUBIHIUDKNEOG-LBPRGKRZSA-N 0 0 337.759 3.375 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000154652393 307798142 /nfs/dbraw/zinc/79/81/42/307798142.db2.gz JRKRQXTXEAFGNL-UHFFFAOYSA-N 0 0 346.774 3.151 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163495020 307922662 /nfs/dbraw/zinc/92/26/62/307922662.db2.gz WNICKWCOZNNBJX-HNNXBMFYSA-N 0 0 340.445 3.122 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1cccc(C(F)(F)F)n1 ZINC000293045705 308093582 /nfs/dbraw/zinc/09/35/82/308093582.db2.gz MBYSATVOWGEVOT-UHFFFAOYSA-N 0 0 343.309 3.188 10 5 EGBERN COc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1Cl ZINC000293322208 308120089 /nfs/dbraw/zinc/12/00/89/308120089.db2.gz LAGYKAQWXGPRIR-UHFFFAOYSA-N 0 0 325.752 3.387 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414476428 309083042 /nfs/dbraw/zinc/08/30/42/309083042.db2.gz XPKBMZNBVCMBOV-SWLSCSKDSA-N 0 0 332.381 3.199 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000294918229 308271224 /nfs/dbraw/zinc/27/12/24/308271224.db2.gz KGKWYYRJGUYGAR-ZFWWWQNUSA-N 0 0 329.356 3.287 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](CO)(C(C)C)C1 ZINC000294981616 308278510 /nfs/dbraw/zinc/27/85/10/308278510.db2.gz ZISYXWIQGSVMAD-FERCGXDMSA-N 0 0 346.427 3.255 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000295635437 308345758 /nfs/dbraw/zinc/34/57/58/308345758.db2.gz CVGGXRHBWPSZCF-CABCVRRESA-N 0 0 328.372 3.009 10 5 EGBERN NC(=O)c1ccc(CNc2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1 ZINC000297103631 308499387 /nfs/dbraw/zinc/49/93/87/308499387.db2.gz XTSFRWBRSSVLMQ-UHFFFAOYSA-N 0 0 325.368 3.185 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C2CC2)n1 ZINC000297127807 308501736 /nfs/dbraw/zinc/50/17/36/308501736.db2.gz YIFMETWBIIRUHT-UHFFFAOYSA-N 0 0 326.356 3.231 10 5 EGBERN C[C@H](NC(=O)Nc1cn(C)nc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297488170 308539181 /nfs/dbraw/zinc/53/91/81/308539181.db2.gz UCWGVQARDSDMAN-JTQLQIEISA-N 0 0 329.360 3.088 10 5 EGBERN CCC[C@@H](OC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000297715081 308557870 /nfs/dbraw/zinc/55/78/70/308557870.db2.gz IHZOIPRFBNICOZ-LLVKDONJSA-N 0 0 331.166 3.111 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@](C)(COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000297828487 308566616 /nfs/dbraw/zinc/56/66/16/308566616.db2.gz GKYTZKODNGWSAO-RDJZCZTQSA-N 0 0 335.404 3.114 10 5 EGBERN CC(C)COC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000299078417 308658856 /nfs/dbraw/zinc/65/88/56/308658856.db2.gz RRPHBZSSUWEQEG-UHFFFAOYSA-N 0 0 345.399 3.353 10 5 EGBERN COC(=O)c1cc(NC[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000301184525 308691054 /nfs/dbraw/zinc/69/10/54/308691054.db2.gz CVZCVXKVDZLVCP-GFCCVEGCSA-N 0 0 342.351 3.360 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301273033 308694414 /nfs/dbraw/zinc/69/44/14/308694414.db2.gz RFWGLPFUGDAYES-GJZGRUSLSA-N 0 0 325.368 3.170 10 5 EGBERN Cc1nn(C)c(Sc2nnc(Nc3ccccc3)s2)c1[N+](=O)[O-] ZINC000301289299 308695187 /nfs/dbraw/zinc/69/51/87/308695187.db2.gz PLYRUWMODSHGRW-UHFFFAOYSA-N 0 0 348.413 3.383 10 5 EGBERN COc1cccc2c1OC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000301299456 308695647 /nfs/dbraw/zinc/69/56/47/308695647.db2.gz ZYBCSTOBOIQQSM-JTQLQIEISA-N 0 0 335.747 3.067 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(N3CCCC3)nc2)c1 ZINC000301352054 308697472 /nfs/dbraw/zinc/69/74/72/308697472.db2.gz NDGUONFKFAJKSM-UHFFFAOYSA-N 0 0 346.362 3.350 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCc3c2cccc3OC)ccc1[N+](=O)[O-] ZINC000301613638 308707367 /nfs/dbraw/zinc/70/73/67/308707367.db2.gz AGXOFSHRSVLILX-OAHLLOKOSA-N 0 0 342.351 3.489 10 5 EGBERN COC(=O)c1cc(NC[C@](C)(O)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000301686229 308710883 /nfs/dbraw/zinc/71/08/83/308710883.db2.gz LTPPIUNUIMMZAT-SFHVURJKSA-N 0 0 344.367 3.009 10 5 EGBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000301805296 308716005 /nfs/dbraw/zinc/71/60/05/308716005.db2.gz BJUBWPHWTKFKLB-INIZCTEOSA-N 0 0 347.802 3.360 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301882326 308719847 /nfs/dbraw/zinc/71/98/47/308719847.db2.gz KOKHKSOIXBADPX-ZDUSSCGKSA-N 0 0 346.225 3.351 10 5 EGBERN CSCc1cc(F)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301966535 308723356 /nfs/dbraw/zinc/72/33/56/308723356.db2.gz OMQATVOWSHRAQL-UHFFFAOYSA-N 0 0 347.375 3.252 10 5 EGBERN Cc1cc([C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000301983769 308724113 /nfs/dbraw/zinc/72/41/13/308724113.db2.gz AVNZAADEDXPVIK-SFHVURJKSA-N 0 0 346.358 3.113 10 5 EGBERN CCC[C@H](Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301999025 308724566 /nfs/dbraw/zinc/72/45/66/308724566.db2.gz PMTQLRZWCYDLMH-CQSZACIVSA-N 0 0 325.372 3.461 10 5 EGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccc(Cl)cc1 ZINC000301999565 308724733 /nfs/dbraw/zinc/72/47/33/308724733.db2.gz PSIPHVBOLDNSTJ-JTQLQIEISA-N 0 0 347.762 3.170 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](c4ccccc4)CC3)nn21 ZINC000302009199 308724947 /nfs/dbraw/zinc/72/49/47/308724947.db2.gz VPDGONGZZXCVCC-HNNXBMFYSA-N 0 0 337.383 3.412 10 5 EGBERN CCC(=O)Nc1ccc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000302082736 308728649 /nfs/dbraw/zinc/72/86/49/308728649.db2.gz JRWARETWJGOUAG-UHFFFAOYSA-N 0 0 343.339 3.474 10 5 EGBERN COc1ccc(F)cc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302559764 308739606 /nfs/dbraw/zinc/73/96/06/308739606.db2.gz ZJAKHOUMOCDYCI-UHFFFAOYSA-N 0 0 345.330 3.239 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000302840001 308747713 /nfs/dbraw/zinc/74/77/13/308747713.db2.gz ZTZVWUOQXGZEJG-GFCCVEGCSA-N 0 0 339.823 3.298 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000410149291 308915112 /nfs/dbraw/zinc/91/51/12/308915112.db2.gz VRIFGTMFRABIFD-JOCQHMNTSA-N 0 0 325.368 3.161 10 5 EGBERN COc1cc(C(=O)NC2(C3CCC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000411111478 308927277 /nfs/dbraw/zinc/92/72/77/308927277.db2.gz KCFQCJHPCOTOST-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000412546481 308990595 /nfs/dbraw/zinc/99/05/95/308990595.db2.gz ZVVOTEBBWSAYOI-SECBINFHSA-N 0 0 348.380 3.494 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)c3ccccc32)c(F)c1 ZINC000413268914 309024420 /nfs/dbraw/zinc/02/44/20/309024420.db2.gz SKXBFGVPAVLDLG-UHFFFAOYSA-N 0 0 329.331 3.329 10 5 EGBERN COC(=O)c1cc(NCCc2ccc(C)cn2)cc(C)c1[N+](=O)[O-] ZINC000413353238 309028333 /nfs/dbraw/zinc/02/83/33/309028333.db2.gz OTFLEWCSAJDZTH-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN COC(=O)c1cc(N[C@@H]2C[C@@H](OC)C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000413437040 309032015 /nfs/dbraw/zinc/03/20/15/309032015.db2.gz HFABISUSGMBUPR-ZIAGYGMSSA-N 0 0 334.372 3.059 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000455039798 310341633 /nfs/dbraw/zinc/34/16/33/310341633.db2.gz VUTYVKIQANBRHB-AWEZNQCLSA-N 0 0 348.309 3.059 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000416627350 309175440 /nfs/dbraw/zinc/17/54/40/309175440.db2.gz VFELLHOWOWKCQC-UHFFFAOYSA-N 0 0 332.447 3.164 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420616268 309290293 /nfs/dbraw/zinc/29/02/93/309290293.db2.gz GRFKTHXDIPACME-UWVGGRQHSA-N 0 0 330.182 3.122 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000420616294 309290308 /nfs/dbraw/zinc/29/03/08/309290308.db2.gz GUUDFXDLRNMRIS-KBPBESRZSA-N 0 0 335.404 3.103 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420628741 309290814 /nfs/dbraw/zinc/29/08/14/309290814.db2.gz PYMHXUYSYQUVLC-GOSISDBHSA-N 0 0 343.358 3.077 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000420844526 309297846 /nfs/dbraw/zinc/29/78/46/309297846.db2.gz NIQFZRQQPYWOEJ-JSGCOSHPSA-N 0 0 349.456 3.488 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1nn(C)cc1Cl ZINC000421220772 309316634 /nfs/dbraw/zinc/31/66/34/309316634.db2.gz SOSRZMKBBFPCJF-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421780702 309339801 /nfs/dbraw/zinc/33/98/01/309339801.db2.gz VGRVQPOBSITFDZ-CYBMUJFWSA-N 0 0 348.399 3.015 10 5 EGBERN O=C(N[C@H]1CC12CC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000424968814 309460471 /nfs/dbraw/zinc/46/04/71/309460471.db2.gz JVZKQEPRARQOLB-KRWDZBQOSA-N 0 0 338.363 3.456 10 5 EGBERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448219 309480688 /nfs/dbraw/zinc/48/06/88/309480688.db2.gz RAUXJWAUZIJFHL-NXEZZACHSA-N 0 0 343.221 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cccc(Br)c2)cc1CO ZINC000428078903 309541802 /nfs/dbraw/zinc/54/18/02/309541802.db2.gz JPFIBXMHJFXNJQ-UHFFFAOYSA-N 0 0 338.157 3.429 10 5 EGBERN COC(=O)c1ccc(OCc2cc(C(C)(C)C)on2)c([N+](=O)[O-])c1 ZINC000430109214 309597657 /nfs/dbraw/zinc/59/76/57/309597657.db2.gz YKVJVCORZSHEKW-UHFFFAOYSA-N 0 0 334.328 3.246 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000430250809 309603557 /nfs/dbraw/zinc/60/35/57/309603557.db2.gz MTAMCGYJGRUMDO-LBPRGKRZSA-N 0 0 326.299 3.259 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCO[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000431247196 309628305 /nfs/dbraw/zinc/62/83/05/309628305.db2.gz DRZXXXCOLMGNKS-SCZZXKLOSA-N 0 0 343.177 3.029 10 5 EGBERN Cn1cc(N2CCC[C@@H](Nc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000432311047 309657003 /nfs/dbraw/zinc/65/70/03/309657003.db2.gz BWYNGFYADUEUGB-LLVKDONJSA-N 0 0 335.795 3.063 10 5 EGBERN CCc1nc(C)c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000432646120 309665372 /nfs/dbraw/zinc/66/53/72/309665372.db2.gz XLMQZUDLEBVKCD-UHFFFAOYSA-N 0 0 349.416 3.156 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000435584885 309735535 /nfs/dbraw/zinc/73/55/35/309735535.db2.gz QUVLDSLLERNCKP-ZJUUUORDSA-N 0 0 344.314 3.340 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000438933560 309822645 /nfs/dbraw/zinc/82/26/45/309822645.db2.gz FAVHCWUSRHSOQG-MNOVXSKESA-N 0 0 326.780 3.102 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000440154718 309845593 /nfs/dbraw/zinc/84/55/93/309845593.db2.gz FPPUHPYWLKVMLB-VXGBXAGGSA-N 0 0 338.791 3.137 10 5 EGBERN CCc1cnc(N2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000441352443 309869079 /nfs/dbraw/zinc/86/90/79/309869079.db2.gz XTAQVZAFHMFMIC-ZDUSSCGKSA-N 0 0 346.456 3.497 10 5 EGBERN Cc1c(Cc2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210645 309897102 /nfs/dbraw/zinc/89/71/02/309897102.db2.gz BDIVPWGUQNRAKJ-RYUDHWBXSA-N 0 0 330.388 3.250 10 5 EGBERN COc1cc(CSCC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000443406510 309900133 /nfs/dbraw/zinc/90/01/33/309900133.db2.gz MRSFUPJCDQMJNI-UHFFFAOYSA-N 0 0 332.381 3.475 10 5 EGBERN CC[C@@]1(C)CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000443558706 309903247 /nfs/dbraw/zinc/90/32/47/309903247.db2.gz LTVCOYMDBANXBB-AWEZNQCLSA-N 0 0 346.305 3.255 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(O)c4)n3)c2c1 ZINC000445238285 309938370 /nfs/dbraw/zinc/93/83/70/309938370.db2.gz OVHYAOJSDHILAJ-UHFFFAOYSA-N 0 0 336.307 3.423 10 5 EGBERN C/C(=C/c1ccc(F)cc1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445579770 309943786 /nfs/dbraw/zinc/94/37/86/309943786.db2.gz QCDXYTGPNGPENB-CLFYSBASSA-N 0 0 329.291 3.078 10 5 EGBERN CC(C)(C)n1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cn1 ZINC000445629235 309944793 /nfs/dbraw/zinc/94/47/93/309944793.db2.gz MMDKUDHDLGSDCV-UHFFFAOYSA-N 0 0 331.307 3.402 10 5 EGBERN Cc1c(Br)c(N2C[C@H](C)O[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000445666148 309945196 /nfs/dbraw/zinc/94/51/96/309945196.db2.gz UULVIIXCVODDFY-UJNFCWOMSA-N 0 0 344.209 3.063 10 5 EGBERN CC(C)[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000447052528 309972880 /nfs/dbraw/zinc/97/28/80/309972880.db2.gz SBYVVBSTJXLTPB-AWEZNQCLSA-N 0 0 342.399 3.042 10 5 EGBERN CCc1cncc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000448399819 310003731 /nfs/dbraw/zinc/00/37/31/310003731.db2.gz JLXPZZIFTRUHNF-UHFFFAOYSA-N 0 0 336.351 3.083 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1noc(C2CC2)n1 ZINC000449303609 310051856 /nfs/dbraw/zinc/05/18/56/310051856.db2.gz XHXBWZCRBYVELX-DZGCQCFKSA-N 0 0 342.399 3.356 10 5 EGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN(CC(F)(F)F)C1 ZINC000449671008 310079450 /nfs/dbraw/zinc/07/94/50/310079450.db2.gz YPVUOHJAZOBOAY-NSHDSACASA-N 0 0 349.328 3.050 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000450413574 310121059 /nfs/dbraw/zinc/12/10/59/310121059.db2.gz VBMODLSQCQORHD-NWDGAFQWSA-N 0 0 326.352 3.409 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(ccnc2OC)c1 ZINC000450769576 310141883 /nfs/dbraw/zinc/14/18/83/310141883.db2.gz XWPVTYOQERCYPS-UHFFFAOYSA-N 0 0 327.344 3.420 10 5 EGBERN O=C(NCCCC1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452209033 310218678 /nfs/dbraw/zinc/21/86/78/310218678.db2.gz QRHPQHVMLTVEIJ-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000452808369 310242866 /nfs/dbraw/zinc/24/28/66/310242866.db2.gz CCZKAVHKRPBXRB-YOEHRIQHSA-N 0 0 348.443 3.440 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000452894177 310247655 /nfs/dbraw/zinc/24/76/55/310247655.db2.gz QACANJXOVJBIOV-IAQYHMDHSA-N 0 0 340.807 3.429 10 5 EGBERN CO[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C(C)C ZINC000453241278 310266295 /nfs/dbraw/zinc/26/62/95/310266295.db2.gz UEJHCMBSBCEBQB-AWEZNQCLSA-N 0 0 332.360 3.346 10 5 EGBERN CS[C@H](C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453241295 310266350 /nfs/dbraw/zinc/26/63/50/310266350.db2.gz UFOXOWSGJUVQOK-SECBINFHSA-N 0 0 334.401 3.297 10 5 EGBERN COc1cccc2c1[C@@H](c1nc(-c3ccc([N+](=O)[O-])o3)no1)CC2 ZINC000453264123 310267847 /nfs/dbraw/zinc/26/78/47/310267847.db2.gz VUNALPIQQGAQNC-JTQLQIEISA-N 0 0 327.296 3.325 10 5 EGBERN C[C@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454942163 310336809 /nfs/dbraw/zinc/33/68/09/310336809.db2.gz KNGMMVZWWTYTSH-VIFPVBQESA-N 0 0 331.294 3.298 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000455537079 310365634 /nfs/dbraw/zinc/36/56/34/310365634.db2.gz QTYBWTZCRPFWLS-OAHLLOKOSA-N 0 0 346.387 3.486 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2nccn21 ZINC000456156655 310391042 /nfs/dbraw/zinc/39/10/42/310391042.db2.gz DARUJRZWRUFFEC-OAHLLOKOSA-N 0 0 343.387 3.128 10 5 EGBERN CO[C@@H]([C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000456558763 310412281 /nfs/dbraw/zinc/41/22/81/310412281.db2.gz KLUIDJUPOBHGCX-XPTSAGLGSA-N 0 0 326.780 3.100 10 5 EGBERN CC1(C)C[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000457208306 310443128 /nfs/dbraw/zinc/44/31/28/310443128.db2.gz KTYWEUCAMQROSG-LLVKDONJSA-N 0 0 331.372 3.011 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000459905463 310577772 /nfs/dbraw/zinc/57/77/72/310577772.db2.gz SLWFSEJZJAIVFE-HNNXBMFYSA-N 0 0 326.352 3.296 10 5 EGBERN CC(C)[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000468827567 310694604 /nfs/dbraw/zinc/69/46/04/310694604.db2.gz DGFDGROBYFFKGR-HZMBPMFUSA-N 0 0 347.337 3.488 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000473481446 310775600 /nfs/dbraw/zinc/77/56/00/310775600.db2.gz JJSZZNVQEBYCLD-UPJWGTAASA-N 0 0 335.404 3.179 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524314 310776308 /nfs/dbraw/zinc/77/63/08/310776308.db2.gz XBSVUAVRXDYYRY-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN COc1cc(OCc2noc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000475894216 310819081 /nfs/dbraw/zinc/81/90/81/310819081.db2.gz CTLXKRMMEBMXGZ-UHFFFAOYSA-N 0 0 341.323 3.156 10 5 EGBERN CCOc1cc(OCc2ccc(F)cc2C(=O)OC)ccc1[N+](=O)[O-] ZINC000478716692 310863152 /nfs/dbraw/zinc/86/31/52/310863152.db2.gz LPESTCCFQLKPPF-UHFFFAOYSA-N 0 0 349.314 3.498 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCC1CCN(c2ccccc2)CC1 ZINC000480516394 310895672 /nfs/dbraw/zinc/89/56/72/310895672.db2.gz SQEWOBWQCPRQSB-UHFFFAOYSA-N 0 0 326.400 3.049 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc3c(cccc3F)o2)c1 ZINC000485874773 310983730 /nfs/dbraw/zinc/98/37/30/310983730.db2.gz YCBGQFCXVBSGMS-UHFFFAOYSA-N 0 0 332.243 3.454 10 5 EGBERN COC(=O)c1cc(Oc2nc3c(cccc3F)o2)ccc1[N+](=O)[O-] ZINC000485873964 310983984 /nfs/dbraw/zinc/98/39/84/310983984.db2.gz IGFKQWSQGLFEDJ-UHFFFAOYSA-N 0 0 332.243 3.454 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2(C)CCCC2)c1 ZINC000486974906 311004861 /nfs/dbraw/zinc/00/48/61/311004861.db2.gz YRYZKFGBHGGRMR-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)c1ccsc1 ZINC000487179522 311014022 /nfs/dbraw/zinc/01/40/22/311014022.db2.gz FLYZVVLSLCGTGU-LLVKDONJSA-N 0 0 340.788 3.082 10 5 EGBERN CCC1(CC)CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@]1=O ZINC000487729809 311035577 /nfs/dbraw/zinc/03/55/77/311035577.db2.gz ZJTQYMCKBGEYAG-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488022141 311048022 /nfs/dbraw/zinc/04/80/22/311048022.db2.gz JKPQSAKDMISUET-CYBMUJFWSA-N 0 0 339.823 3.478 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccccc1-n1ccnc1 ZINC000488122485 311052313 /nfs/dbraw/zinc/05/23/13/311052313.db2.gz GRSVMFZOSBLRQL-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000488288857 311059324 /nfs/dbraw/zinc/05/93/24/311059324.db2.gz FGQIQAMXCIZOTM-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488315845 311060476 /nfs/dbraw/zinc/06/04/76/311060476.db2.gz FBILOZUOKQXRBE-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000488323905 311060926 /nfs/dbraw/zinc/06/09/26/311060926.db2.gz ARVXQJGVEGZFHR-GDGBQDQQSA-N 0 0 327.287 3.116 10 5 EGBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1OCCc2sccc21 ZINC000488749784 311078102 /nfs/dbraw/zinc/07/81/02/311078102.db2.gz SAVPNONZFKKIBJ-PSLIRLAXSA-N 0 0 344.396 3.069 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)ccc2[nH]1 ZINC000488945994 311086068 /nfs/dbraw/zinc/08/60/68/311086068.db2.gz PWFRDUWNCCQBDE-UHFFFAOYSA-N 0 0 346.343 3.341 10 5 EGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488987569 311088290 /nfs/dbraw/zinc/08/82/90/311088290.db2.gz UFWSPEKRFNACEJ-LBPRGKRZSA-N 0 0 339.342 3.477 10 5 EGBERN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508173186 312090172 /nfs/dbraw/zinc/09/01/72/312090172.db2.gz PRWBTYYHDLCFIL-ZDUSSCGKSA-N 0 0 329.404 3.263 10 5 EGBERN CC(C)[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508779417 312102650 /nfs/dbraw/zinc/10/26/50/312102650.db2.gz ODUPSXJUGDBOJO-AWEZNQCLSA-N 0 0 329.404 3.263 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000509139039 312110180 /nfs/dbraw/zinc/11/01/80/312110180.db2.gz OYMPFEPUIONJPY-UHFFFAOYSA-N 0 0 325.368 3.252 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1ncnc2c(F)cccc21 ZINC000509475853 312118223 /nfs/dbraw/zinc/11/82/23/312118223.db2.gz BDHOPWKCWCJBJV-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000510361572 312139245 /nfs/dbraw/zinc/13/92/45/312139245.db2.gz DHFYXEMVEGITDW-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN COc1cccc2c1CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000510807648 312148821 /nfs/dbraw/zinc/14/88/21/312148821.db2.gz CSSMITVINNXLJC-UHFFFAOYSA-N 0 0 348.349 3.482 10 5 EGBERN CCOc1ccc(NC(=O)CN2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000512210371 312179093 /nfs/dbraw/zinc/17/90/93/312179093.db2.gz CRSONHWMHALLIB-CYBMUJFWSA-N 0 0 335.404 3.197 10 5 EGBERN Cc1c(NC(=O)N[C@H]2COc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000515015744 312260544 /nfs/dbraw/zinc/26/05/44/312260544.db2.gz WMGYANIEBRLSRJ-CYBMUJFWSA-N 0 0 345.330 3.168 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000515250661 312273286 /nfs/dbraw/zinc/27/32/86/312273286.db2.gz ZQSGFRROOMSTRK-VWYCJHECSA-N 0 0 326.343 3.309 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000516172704 312312535 /nfs/dbraw/zinc/31/25/35/312312535.db2.gz VKWUNZXNNUOKED-ZFWWWQNUSA-N 0 0 347.415 3.053 10 5 EGBERN Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516929801 312351603 /nfs/dbraw/zinc/35/16/03/312351603.db2.gz QEVFEWVGKZJTLA-CQSZACIVSA-N 0 0 335.404 3.134 10 5 EGBERN CCc1cc(NCCOC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521833897 312560937 /nfs/dbraw/zinc/56/09/37/312560937.db2.gz WGVHCXNBLJYILL-UHFFFAOYSA-N 0 0 344.415 3.263 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccc2)c(F)c1 ZINC000522239154 312582835 /nfs/dbraw/zinc/58/28/35/312582835.db2.gz CGPKJWLKCUANIR-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN COc1cc(C(=O)NC[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000523503691 312623452 /nfs/dbraw/zinc/62/34/52/312623452.db2.gz HEBMQQUHILDRGU-SECBINFHSA-N 0 0 346.330 3.227 10 5 EGBERN COC(=O)c1cc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524551025 312665214 /nfs/dbraw/zinc/66/52/14/312665214.db2.gz SQDXRYYKXIRAAQ-CHWSQXEVSA-N 0 0 348.399 3.328 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000525042507 312693541 /nfs/dbraw/zinc/69/35/41/312693541.db2.gz XOKCOBLDRSJFPI-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN O=C(C/C=C\c1ccc(F)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530621236 313564474 /nfs/dbraw/zinc/56/44/74/313564474.db2.gz MCCLNUOGOLZFHX-UPHRSURJSA-N 0 0 344.342 3.332 10 5 EGBERN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001703 314086919 /nfs/dbraw/zinc/08/69/19/314086919.db2.gz FNZLKCRVUIAJMC-ZNMIVQPWSA-N 0 0 345.443 3.131 10 5 EGBERN CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000536575574 314126363 /nfs/dbraw/zinc/12/63/63/314126363.db2.gz VVKIWNMDPAJTOX-ZDUSSCGKSA-N 0 0 327.384 3.474 10 5 EGBERN CCc1cccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538240464 314234244 /nfs/dbraw/zinc/23/42/44/314234244.db2.gz YSBZPXDQWWPZOK-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1cc(NCC2(O)Cc3ccccc3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000538452320 314247946 /nfs/dbraw/zinc/24/79/46/314247946.db2.gz NBWJABYHVFXLPS-UHFFFAOYSA-N 0 0 349.390 3.393 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541916934 314505058 /nfs/dbraw/zinc/50/50/58/314505058.db2.gz TXVKYNUCOWYEDO-KSSFIOAISA-N 0 0 347.415 3.195 10 5 EGBERN Cc1ccc(SC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000545314490 314755799 /nfs/dbraw/zinc/75/57/99/314755799.db2.gz VGZWDHQMNNZNIH-GFCCVEGCSA-N 0 0 331.397 3.209 10 5 EGBERN O=C(NCc1ccncc1C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000548723437 315039282 /nfs/dbraw/zinc/03/92/82/315039282.db2.gz ZGHOQCVLFPIPRD-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN Cc1sc(C(=O)NCc2ccncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000548723317 315039548 /nfs/dbraw/zinc/03/95/48/315039548.db2.gz ALZMLSKDCOQHAR-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN Cc1cccc(N2CCO[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000549181227 315080324 /nfs/dbraw/zinc/08/03/24/315080324.db2.gz HJQLAHWJZIZDFC-MRXNPFEDSA-N 0 0 328.368 3.187 10 5 EGBERN Cc1ccc(-c2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)cc1 ZINC000549217479 315082371 /nfs/dbraw/zinc/08/23/71/315082371.db2.gz KJAWIRZSRMBBTE-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1sc(C(=O)N2CCC=C(c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000552060974 315194462 /nfs/dbraw/zinc/19/44/62/315194462.db2.gz SGQOLDCKWDIPOE-UHFFFAOYSA-N 0 0 329.381 3.289 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000552141921 315201790 /nfs/dbraw/zinc/20/17/90/315201790.db2.gz AVDFHBIAHOGACN-GUOLPTJISA-N 0 0 346.412 3.478 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000553111847 315245829 /nfs/dbraw/zinc/24/58/29/315245829.db2.gz YSFZCVWNERLQFP-JTQLQIEISA-N 0 0 336.754 3.473 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000553248254 315252695 /nfs/dbraw/zinc/25/26/95/315252695.db2.gz LKLCOSCRIPDGMG-AWEZNQCLSA-N 0 0 341.367 3.054 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@]2(CCCOC2)C1 ZINC000553489866 315266401 /nfs/dbraw/zinc/26/64/01/315266401.db2.gz RNCCPINULNDJBJ-GOSISDBHSA-N 0 0 348.399 3.087 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1C ZINC000554438264 315318141 /nfs/dbraw/zinc/31/81/41/315318141.db2.gz AOAAZISPPJJGSG-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000554716833 315344530 /nfs/dbraw/zinc/34/45/30/315344530.db2.gz DBQRIKGBOZMBTK-FTGAXOIBSA-N 0 0 326.343 3.356 10 5 EGBERN C[C@@H](C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000559391301 315631931 /nfs/dbraw/zinc/63/19/31/315631931.db2.gz HSVVIUXDBZOIDK-PJIJBLCYSA-N 0 0 348.443 3.392 10 5 EGBERN CN(CCc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561155729 315744832 /nfs/dbraw/zinc/74/48/32/315744832.db2.gz VMVZVVXJVHHGGA-UHFFFAOYSA-N 0 0 342.330 3.062 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000562556386 315850328 /nfs/dbraw/zinc/85/03/28/315850328.db2.gz LAEHYWNKWASJRY-GFCCVEGCSA-N 0 0 346.358 3.471 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000563416165 316017786 /nfs/dbraw/zinc/01/77/86/316017786.db2.gz IMRPYJMVSWRQOM-UHFFFAOYSA-N 0 0 336.388 3.162 10 5 EGBERN CCC[C@@H]1[C@H](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000563738742 316063541 /nfs/dbraw/zinc/06/35/41/316063541.db2.gz KIBJQPGXYVMGPO-BXUZGUMPSA-N 0 0 335.404 3.490 10 5 EGBERN CCCNC(=O)c1cccc(CNc2c(OC)cccc2[N+](=O)[O-])c1 ZINC000565221407 316293812 /nfs/dbraw/zinc/29/38/12/316293812.db2.gz JCVNIQCVRRPLLU-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000565228358 316295380 /nfs/dbraw/zinc/29/53/80/316295380.db2.gz FBGUBJPQSNWUEE-CYBMUJFWSA-N 0 0 336.388 3.162 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000565226417 316295443 /nfs/dbraw/zinc/29/54/43/316295443.db2.gz KYBPJKSMUGUUTJ-KSSFIOAISA-N 0 0 328.368 3.182 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000565487904 316330895 /nfs/dbraw/zinc/33/08/95/316330895.db2.gz DQFYVGHOTAPTAR-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN CC[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000565684278 316356157 /nfs/dbraw/zinc/35/61/57/316356157.db2.gz QAHRBBWSXANZMI-ZYHUDNBSSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000566160695 316429804 /nfs/dbraw/zinc/42/98/04/316429804.db2.gz OKDOGZJXVZTCOW-WCQYABFASA-N 0 0 335.404 3.102 10 5 EGBERN CCOC(=O)C1CCC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567918771 316694201 /nfs/dbraw/zinc/69/42/01/316694201.db2.gz JQPXCYRHHBHAPK-UHFFFAOYSA-N 0 0 334.372 3.293 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2ccccn2c1 ZINC000571617370 317223270 /nfs/dbraw/zinc/22/32/70/317223270.db2.gz YGEJYQUHUXPWNX-UHFFFAOYSA-N 0 0 348.362 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000571791235 317248940 /nfs/dbraw/zinc/24/89/40/317248940.db2.gz FJPAJUFXDPBUMP-QGZVFWFLSA-N 0 0 344.411 3.325 10 5 EGBERN CCOC(=O)Cc1ccccc1NCc1cc([N+](=O)[O-])ccc1OC ZINC000572552722 317355441 /nfs/dbraw/zinc/35/54/41/317355441.db2.gz NKQVUEQPYKRYLQ-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN Cn1nc(C2CC2)nc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000574081495 317559257 /nfs/dbraw/zinc/55/92/57/317559257.db2.gz BATRDWYYPYSQLL-UHFFFAOYSA-N 0 0 342.277 3.199 10 5 EGBERN Cc1nn(CCC(=O)N2CCC(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000172300784 323275429 /nfs/dbraw/zinc/27/54/29/323275429.db2.gz GONZEVMSTWLDSX-UHFFFAOYSA-N 0 0 336.436 3.083 10 5 EGBERN Cc1cc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000182404273 323548583 /nfs/dbraw/zinc/54/85/83/323548583.db2.gz JIPGTOSBXSDLJD-MRXNPFEDSA-N 0 0 335.404 3.029 10 5 EGBERN C[C@@H](C(=O)N1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182625096 323565435 /nfs/dbraw/zinc/56/54/35/323565435.db2.gz CGWHUYQNHSTQJQ-LLVKDONJSA-N 0 0 330.315 3.263 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000193592104 323839610 /nfs/dbraw/zinc/83/96/10/323839610.db2.gz QZEOHGDJXITXPX-UHFFFAOYSA-N 0 0 344.342 3.091 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCCC[C@H]3OC)n2)ccc1[N+](=O)[O-] ZINC000349678063 324032439 /nfs/dbraw/zinc/03/24/39/324032439.db2.gz LWPOAGZMZXTEGT-TZMCWYRMSA-N 0 0 347.371 3.250 10 5 EGBERN CSc1cccnc1-c1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000350912669 324138234 /nfs/dbraw/zinc/13/82/34/324138234.db2.gz ABBIYDNXYOZBKH-UHFFFAOYSA-N 0 0 329.341 3.132 10 5 EGBERN CCSCCCc1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000350997564 324151842 /nfs/dbraw/zinc/15/18/42/324151842.db2.gz GMZCLWHPTKKKHM-UHFFFAOYSA-N 0 0 337.357 3.059 10 5 EGBERN C[C@H]1CCn2ncc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)c2C1 ZINC000351366995 324231938 /nfs/dbraw/zinc/23/19/38/324231938.db2.gz MTKZETYWPGTVRM-QMMMGPOBSA-N 0 0 331.357 3.152 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CC2CCC1CC2 ZINC000381947502 324248032 /nfs/dbraw/zinc/24/80/32/324248032.db2.gz RRGOHSBBOOOHJT-PGHLRGPGSA-N 0 0 335.379 3.261 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCNC(=O)c1ccc(Cl)cc1 ZINC000577143665 324750136 /nfs/dbraw/zinc/75/01/36/324750136.db2.gz CHOFYMCQIJJYRN-UHFFFAOYSA-N 0 0 349.774 3.099 10 5 EGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)o1 ZINC000577527745 324823686 /nfs/dbraw/zinc/82/36/86/324823686.db2.gz BADZJUJSQLVGGZ-UHFFFAOYSA-N 0 0 349.362 3.108 10 5 EGBERN COC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000578202810 324935210 /nfs/dbraw/zinc/93/52/10/324935210.db2.gz MKTCZOVPYPWZSI-SJCJKPOMSA-N 0 0 346.358 3.341 10 5 EGBERN CCc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000578351241 324957070 /nfs/dbraw/zinc/95/70/70/324957070.db2.gz NPNHDKKKLUYRSG-UHFFFAOYSA-N 0 0 348.424 3.351 10 5 EGBERN CC(C)(NC(=O)[C@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000578973990 325044135 /nfs/dbraw/zinc/04/41/35/325044135.db2.gz VJIBGHOETBAQCG-ZDUSSCGKSA-N 0 0 340.379 3.382 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@H](Cc2ccccc2)C1 ZINC000579127939 325067629 /nfs/dbraw/zinc/06/76/29/325067629.db2.gz KSGQCSOARPPTJN-HNNXBMFYSA-N 0 0 328.368 3.051 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ccccc2C(F)(F)F)cn1 ZINC000579401708 325104367 /nfs/dbraw/zinc/10/43/67/325104367.db2.gz WWNHHQRJVSPGIK-UHFFFAOYSA-N 0 0 327.262 3.500 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000579738863 325153568 /nfs/dbraw/zinc/15/35/68/325153568.db2.gz DBKLSIOOSVUKLK-HOTGVXAUSA-N 0 0 325.368 3.292 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000580450756 325253116 /nfs/dbraw/zinc/25/31/16/325253116.db2.gz QHBKHGKUEJINTB-ZDUSSCGKSA-N 0 0 341.367 3.314 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1nc3ccccc3s1)CCCC2 ZINC000581666472 325380942 /nfs/dbraw/zinc/38/09/42/325380942.db2.gz GAYKEFDAARLHOY-UHFFFAOYSA-N 0 0 341.392 3.293 10 5 EGBERN Cc1cc(-c2noc(-c3cnn4c3C[C@@H](C)CC4)n2)cc([N+](=O)[O-])c1 ZINC000583144188 325498841 /nfs/dbraw/zinc/49/88/41/325498841.db2.gz UWUSXSLNWYWWFE-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000189575574 455219412 /nfs/dbraw/zinc/21/94/12/455219412.db2.gz BNLOERUPXPVODO-OAHLLOKOSA-N 0 0 326.352 3.465 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000425390773 457531992 /nfs/dbraw/zinc/53/19/92/457531992.db2.gz BVWGAPKJTNEWMD-SECBINFHSA-N 0 0 331.235 3.295 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000436012940 458236354 /nfs/dbraw/zinc/23/63/54/458236354.db2.gz AZVFAQFUCFFCCH-SECBINFHSA-N 0 0 339.189 3.396 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ncc(Br)cc1C ZINC000466965326 458939766 /nfs/dbraw/zinc/93/97/66/458939766.db2.gz ASBIQQSXQRGDEU-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN CN(C)c1ccc2nc3c4c(ccnc4-c4ncccc4C3=O)c2c1 ZINC000000026775 452490627 /nfs/dbraw/zinc/49/06/27/452490627.db2.gz YJPSFNBCJFAVCP-UHFFFAOYSA-N 0 0 326.359 3.455 10 5 EGBERN Cc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc(C)c1C ZINC000002642535 452711219 /nfs/dbraw/zinc/71/12/19/452711219.db2.gz IEXFPDCFUHJIKV-GFCCVEGCSA-N 0 0 346.412 3.429 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000265320116 455304699 /nfs/dbraw/zinc/30/46/99/455304699.db2.gz UDXMYKYGQBHUPQ-UHFFFAOYSA-N 0 0 331.393 3.199 10 5 EGBERN CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000006881846 453002085 /nfs/dbraw/zinc/00/20/85/453002085.db2.gz NXHKZFOTLVIQGC-CYBMUJFWSA-N 0 0 338.770 3.497 10 5 EGBERN CCN1C(=O)CCc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000009134212 453244117 /nfs/dbraw/zinc/24/41/17/453244117.db2.gz SSTRXDRJNMNUAU-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC2(CC2)CC1 ZINC000600768276 460595912 /nfs/dbraw/zinc/59/59/12/460595912.db2.gz GTMFWOGVXZJLLP-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC2(CC2)CC1 ZINC000600768790 460596150 /nfs/dbraw/zinc/59/61/50/460596150.db2.gz JUWBDJZGSNESTC-UHFFFAOYSA-N 0 0 327.384 3.342 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000014575550 453540431 /nfs/dbraw/zinc/54/04/31/453540431.db2.gz XOOPCTNXWIFOGY-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015561214 453577019 /nfs/dbraw/zinc/57/70/19/453577019.db2.gz WZHFHGZIQLEEOH-UHFFFAOYSA-N 0 0 341.367 3.371 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC12CC2 ZINC000600807266 460610847 /nfs/dbraw/zinc/61/08/47/460610847.db2.gz ZFMSEVNLLSLTDZ-AWEZNQCLSA-N 0 0 331.416 3.483 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016685077 453619079 /nfs/dbraw/zinc/61/90/79/453619079.db2.gz BBROOHSSXDHYAB-LBPRGKRZSA-N 0 0 338.367 3.024 10 5 EGBERN COc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000016966476 453625320 /nfs/dbraw/zinc/62/53/20/453625320.db2.gz KDGGLYXVGGRETM-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cn1 ZINC000600811632 460612356 /nfs/dbraw/zinc/61/23/56/460612356.db2.gz QSLHOBZQZLZJPD-OAHLLOKOSA-N 0 0 347.396 3.249 10 5 EGBERN Cc1ccc(CN(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000020922818 453669436 /nfs/dbraw/zinc/66/94/36/453669436.db2.gz MHYQNTCMUJXENL-UHFFFAOYSA-N 0 0 331.372 3.347 10 5 EGBERN C[C@@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026347324 453797730 /nfs/dbraw/zinc/79/77/30/453797730.db2.gz KBEFEGASKXAMDX-CYBMUJFWSA-N 0 0 345.374 3.043 10 5 EGBERN Cc1cc(C)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000026504994 453801841 /nfs/dbraw/zinc/80/18/41/453801841.db2.gz RYMDBKIRPZDEIN-UHFFFAOYSA-N 0 0 339.395 3.174 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000026716753 453804081 /nfs/dbraw/zinc/80/40/81/453804081.db2.gz LPTHABOYACKZIC-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)no1 ZINC000029233914 453827508 /nfs/dbraw/zinc/82/75/08/453827508.db2.gz DNKZPANVUSBEBI-KXPUMZMLSA-N 0 0 327.340 3.268 10 5 EGBERN O=C(Cn1ncc2ccccc21)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000075108968 453861820 /nfs/dbraw/zinc/86/18/20/453861820.db2.gz IWVFYYABGKKWTJ-UHFFFAOYSA-N 0 0 347.334 3.131 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000066708982 453865565 /nfs/dbraw/zinc/86/55/65/453865565.db2.gz RKJUFKSKHJJABH-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(F)(F)F ZINC000054277935 453920422 /nfs/dbraw/zinc/92/04/22/453920422.db2.gz WGTNBVDHLBCKDA-UHFFFAOYSA-N 0 0 341.245 3.449 10 5 EGBERN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000076008710 453948921 /nfs/dbraw/zinc/94/89/21/453948921.db2.gz VZPGJLGHUDLMPP-GFCCVEGCSA-N 0 0 341.433 3.145 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000184501473 455391102 /nfs/dbraw/zinc/39/11/02/455391102.db2.gz CMRWSROWWURTOH-LLVKDONJSA-N 0 0 347.396 3.089 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000067866239 453974023 /nfs/dbraw/zinc/97/40/23/453974023.db2.gz UFWFJAOQGZGQQT-JTQLQIEISA-N 0 0 337.426 3.329 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000068185148 454005627 /nfs/dbraw/zinc/00/56/27/454005627.db2.gz FKDOYQYWVSBZSU-IRXDYDNUSA-N 0 0 344.342 3.033 10 5 EGBERN CCOc1ccccc1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797646 454015335 /nfs/dbraw/zinc/01/53/35/454015335.db2.gz LZTZGJHVXOKXRA-UHFFFAOYSA-N 0 0 328.368 3.243 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCCC[C@H]1O ZINC000086015602 454041326 /nfs/dbraw/zinc/04/13/26/454041326.db2.gz UINVBDFERIKPEL-NOZJJQNGSA-N 0 0 329.194 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000086015073 454041702 /nfs/dbraw/zinc/04/17/02/454041702.db2.gz MGLPLKIZMRPYKK-NOZJJQNGSA-N 0 0 329.194 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@H]2O)c(Br)c1 ZINC000086015071 454041734 /nfs/dbraw/zinc/04/17/34/454041734.db2.gz MGLPLKIZMRPYKK-TVQRCGJNSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000077305209 454088484 /nfs/dbraw/zinc/08/84/84/454088484.db2.gz SVFQXKQWYCMDMT-OAHLLOKOSA-N 0 0 326.352 3.384 10 5 EGBERN Cc1ccc(CNc2ccncc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000088744100 454118574 /nfs/dbraw/zinc/11/85/74/454118574.db2.gz JRBIBDCCFQKYTO-AWEZNQCLSA-N 0 0 343.383 3.326 10 5 EGBERN Cc1sc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-] ZINC000057695787 454141023 /nfs/dbraw/zinc/14/10/23/454141023.db2.gz TYWBRVINELVJRM-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN Cc1sc(C(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000045143870 454142008 /nfs/dbraw/zinc/14/20/08/454142008.db2.gz LYVNWJOZBZIXHV-UHFFFAOYSA-N 0 0 326.403 3.267 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000045727031 454176223 /nfs/dbraw/zinc/17/62/23/454176223.db2.gz PVDLGNUWPPXWNA-UHFFFAOYSA-N 0 0 325.796 3.307 10 5 EGBERN COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1[N+](=O)[O-] ZINC000093902589 454178234 /nfs/dbraw/zinc/17/82/34/454178234.db2.gz CJMQLIQYOSZWDL-CLFYSBASSA-N 0 0 343.364 3.462 10 5 EGBERN Cc1cc(NCC[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058307336 454183216 /nfs/dbraw/zinc/18/32/16/454183216.db2.gz GEFHATWEYJPVMM-OAHLLOKOSA-N 0 0 328.372 3.341 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000071499416 454207043 /nfs/dbraw/zinc/20/70/43/454207043.db2.gz ZEZHCRNROUIUSX-GFCCVEGCSA-N 0 0 342.351 3.421 10 5 EGBERN COC(=O)c1ccc(Cc2nc3cc4ccccc4cc3c(=O)[nH]2)o1 ZINC000119785929 454220317 /nfs/dbraw/zinc/22/03/17/454220317.db2.gz PZCORVDLVAOLCW-UHFFFAOYSA-N 0 0 334.331 3.047 10 5 EGBERN O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1[N+](=O)[O-] ZINC000046147077 454222212 /nfs/dbraw/zinc/22/22/12/454222212.db2.gz IBXLGUKBUJHDBP-UHFFFAOYSA-N 0 0 342.420 3.492 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000130982572 454229472 /nfs/dbraw/zinc/22/94/72/454229472.db2.gz YZCLLQZAYHICIC-SNVBAGLBSA-N 0 0 334.351 3.209 10 5 EGBERN CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000131334332 454246307 /nfs/dbraw/zinc/24/63/07/454246307.db2.gz JEDIJUYYDBIRDJ-LBPRGKRZSA-N 0 0 337.426 3.411 10 5 EGBERN CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090073699 454273169 /nfs/dbraw/zinc/27/31/69/454273169.db2.gz XOFHDRQSJQJMMN-INIZCTEOSA-N 0 0 341.367 3.109 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000131826981 454289248 /nfs/dbraw/zinc/28/92/48/454289248.db2.gz AJCYPULNYOXHRX-UHFFFAOYSA-N 0 0 347.396 3.054 10 5 EGBERN Cc1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000078664213 454294078 /nfs/dbraw/zinc/29/40/78/454294078.db2.gz UOYBDBMMYAWVSG-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN CC[C@@H](C)NC(=O)c1nn(CC)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000096278853 454316360 /nfs/dbraw/zinc/31/63/60/454316360.db2.gz QSYFWRCTPZAISI-LLVKDONJSA-N 0 0 346.387 3.440 10 5 EGBERN CCOc1ccccc1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000060848109 454317491 /nfs/dbraw/zinc/31/74/91/454317491.db2.gz GQGCLLUJEBSGLX-UHFFFAOYSA-N 0 0 330.340 3.035 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090553490 454321357 /nfs/dbraw/zinc/32/13/57/454321357.db2.gz CCOGOYBJXZUHMU-HOTGVXAUSA-N 0 0 341.367 3.479 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCCOCCOc1ccccc1 ZINC000132243910 454323471 /nfs/dbraw/zinc/32/34/71/454323471.db2.gz MGCUWSSBNWJASP-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCc1nccs1)C(C)C ZINC000132338216 454330690 /nfs/dbraw/zinc/33/06/90/454330690.db2.gz FSMBRKHKDCROFE-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN CCC[C@H](CCO)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090688030 454336814 /nfs/dbraw/zinc/33/68/14/454336814.db2.gz VPGIDZPLZQPWIR-CJNGLKHVSA-N 0 0 337.420 3.144 10 5 EGBERN Nc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000072769083 454338206 /nfs/dbraw/zinc/33/82/06/454338206.db2.gz XXCWJZSAZXQFHN-QGZVFWFLSA-N 0 0 337.335 3.289 10 5 EGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000047254349 454346823 /nfs/dbraw/zinc/34/68/23/454346823.db2.gz IFLMQBRMAGXJQG-CQSZACIVSA-N 0 0 340.383 3.153 10 5 EGBERN O=[N+]([O-])c1ccc2cnn(Cc3nccn3Cc3ccccc3)c2c1 ZINC000072919823 454363313 /nfs/dbraw/zinc/36/33/13/454363313.db2.gz XHXSZMXGKADJKL-UHFFFAOYSA-N 0 0 333.351 3.238 10 5 EGBERN Cc1nc(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cs1 ZINC000097142403 454415302 /nfs/dbraw/zinc/41/53/02/454415302.db2.gz ZCAIRUCVUJMHPD-UHFFFAOYSA-N 0 0 342.380 3.398 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612488128 460640453 /nfs/dbraw/zinc/64/04/53/460640453.db2.gz YVHOZVBBBSCYFB-MWLCHTKSSA-N 0 0 346.305 3.068 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091627570 454450827 /nfs/dbraw/zinc/45/08/27/454450827.db2.gz RUKJXKOOBRHUEU-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000064029533 454464034 /nfs/dbraw/zinc/46/40/34/454464034.db2.gz NEOXKSDDGAOWEL-UHFFFAOYSA-N 0 0 345.424 3.364 10 5 EGBERN COc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1F ZINC000133793395 454468547 /nfs/dbraw/zinc/46/85/47/454468547.db2.gz QRBRIDCNDYQZES-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1 ZINC000091834359 454479449 /nfs/dbraw/zinc/47/94/49/454479449.db2.gz HUTMUIJCFVQFRV-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN COc1cccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000048367091 454481567 /nfs/dbraw/zinc/48/15/67/454481567.db2.gz FJYJFTRJQWLGCQ-UHFFFAOYSA-N 0 0 338.310 3.495 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000079992975 454512385 /nfs/dbraw/zinc/51/23/85/454512385.db2.gz LRZBYSATFOSNMC-SFHVURJKSA-N 0 0 332.400 3.190 10 5 EGBERN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000080162095 454543634 /nfs/dbraw/zinc/54/36/34/454543634.db2.gz ZVVCNBLYINXSMG-CYBMUJFWSA-N 0 0 342.399 3.328 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COCCc1ccccc1 ZINC000103375466 454551283 /nfs/dbraw/zinc/55/12/83/454551283.db2.gz IVHSKTXGKOHFHV-AWEZNQCLSA-N 0 0 340.379 3.132 10 5 EGBERN Cc1sc(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134571382 454562263 /nfs/dbraw/zinc/56/22/63/454562263.db2.gz RZEIEWYIOFPQDZ-DGCLKSJQSA-N 0 0 326.418 3.026 10 5 EGBERN CCOc1cc(NCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000092623956 454596842 /nfs/dbraw/zinc/59/68/42/454596842.db2.gz XAQDXTYWRWFWFN-UHFFFAOYSA-N 0 0 339.355 3.186 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc[nH]1 ZINC000080979043 454664436 /nfs/dbraw/zinc/66/44/36/454664436.db2.gz KAQSZBVHXAATKC-SNVBAGLBSA-N 0 0 337.763 3.002 10 5 EGBERN C[C@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000092977570 454664890 /nfs/dbraw/zinc/66/48/90/454664890.db2.gz JYRDLBDYOKJOAM-MADCSZMMSA-N 0 0 338.713 3.474 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCSC3)cc2[N+](=O)[O-])C1 ZINC000081033386 454675548 /nfs/dbraw/zinc/67/55/48/454675548.db2.gz NXWZGOCNANBMFM-GXTWGEPZSA-N 0 0 349.456 3.066 10 5 EGBERN Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000124356460 454722875 /nfs/dbraw/zinc/72/28/75/454722875.db2.gz PKIKBOWQRGCAPY-UHFFFAOYSA-N 0 0 343.261 3.182 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000136959762 454762946 /nfs/dbraw/zinc/76/29/46/454762946.db2.gz FKESMRMUIZTFCD-GFCCVEGCSA-N 0 0 348.790 3.230 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000162292276 454765120 /nfs/dbraw/zinc/76/51/20/454765120.db2.gz COUVQZQHYWQPHX-UHFFFAOYSA-N 0 0 341.339 3.034 10 5 EGBERN Cn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000124775561 454768747 /nfs/dbraw/zinc/76/87/47/454768747.db2.gz IKDVIUAOCJLKCB-UHFFFAOYSA-N 0 0 333.398 3.139 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000176709683 454773650 /nfs/dbraw/zinc/77/36/50/454773650.db2.gz SICOUFGRIAONJK-CABCVRRESA-N 0 0 349.412 3.140 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cnn(-c3ccccc3)c1)C2 ZINC000153290945 454778709 /nfs/dbraw/zinc/77/87/09/454778709.db2.gz WIWBTISQDCEBGW-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176765644 454780269 /nfs/dbraw/zinc/78/02/69/454780269.db2.gz GMOOJWBZSQQTMW-HNNXBMFYSA-N 0 0 343.387 3.105 10 5 EGBERN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403144 454790017 /nfs/dbraw/zinc/79/00/17/454790017.db2.gz YJSDRESHKHJITR-HOCLYGCPSA-N 0 0 345.443 3.133 10 5 EGBERN CC[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1cccc([N+](=O)[O-])c1 ZINC000153487879 454798497 /nfs/dbraw/zinc/79/84/97/454798497.db2.gz MMUHZCGXYQTLKD-HNNXBMFYSA-N 0 0 338.367 3.363 10 5 EGBERN C[C@H]1CC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)O1 ZINC000153485216 454798553 /nfs/dbraw/zinc/79/85/53/454798553.db2.gz QKXUESLJBAEXNN-TVQRCGJNSA-N 0 0 333.369 3.224 10 5 EGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000141309930 454828705 /nfs/dbraw/zinc/82/87/05/454828705.db2.gz YMPOHAZCFHDTJM-QMMMGPOBSA-N 0 0 332.341 3.206 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000146105828 454856683 /nfs/dbraw/zinc/85/66/83/454856683.db2.gz ARAVAOFNLXONCG-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN CC[C@H](NC(=O)c1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000177780560 454904326 /nfs/dbraw/zinc/90/43/26/454904326.db2.gz ZZQAOLPHMJAMST-HNNXBMFYSA-N 0 0 344.367 3.493 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC000191466413 455487793 /nfs/dbraw/zinc/48/77/93/455487793.db2.gz IQSLLWWHYPGXSE-GFCCVEGCSA-N 0 0 338.367 3.455 10 5 EGBERN O=[N+]([O-])c1ccc([C@H](O)CC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000113369365 454924748 /nfs/dbraw/zinc/92/47/48/454924748.db2.gz UWHDPSHAHWBHHT-HZPDHXFCSA-N 0 0 332.312 3.050 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-] ZINC000155247037 454979536 /nfs/dbraw/zinc/97/95/36/454979536.db2.gz IMNMIABHZBKLAO-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000171019273 455016744 /nfs/dbraw/zinc/01/67/44/455016744.db2.gz GBZKBLHCSLRFDH-UHFFFAOYSA-N 0 0 341.323 3.327 10 5 EGBERN O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCCC1 ZINC000155703866 455033453 /nfs/dbraw/zinc/03/34/53/455033453.db2.gz YVLPCUAXXHWQHP-UHFFFAOYSA-N 0 0 331.416 3.008 10 5 EGBERN O=C(NC[C@@H]1CCCS1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612554880 460658213 /nfs/dbraw/zinc/65/82/13/460658213.db2.gz FPIRKIIGMNRXCC-QMMMGPOBSA-N 0 0 334.319 3.239 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493807 455052897 /nfs/dbraw/zinc/05/28/97/455052897.db2.gz MZWBOFMEUKATRT-FVQBIDKESA-N 0 0 340.807 3.017 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2COc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000156129610 455084343 /nfs/dbraw/zinc/08/43/43/455084343.db2.gz YGTPNAFOGLDULF-AWEZNQCLSA-N 0 0 342.351 3.165 10 5 EGBERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152316674 455101243 /nfs/dbraw/zinc/10/12/43/455101243.db2.gz AJNUWRNTUCTUBD-FCEWJHQRSA-N 0 0 347.374 3.392 10 5 EGBERN CC(C)(C)C1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000172300704 455144083 /nfs/dbraw/zinc/14/40/83/455144083.db2.gz JWUJLYOKHRNNJP-UHFFFAOYSA-N 0 0 348.399 3.071 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1 ZINC000172940584 455211631 /nfs/dbraw/zinc/21/16/31/455211631.db2.gz UOZMNVOIKILHSM-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000173552636 455304129 /nfs/dbraw/zinc/30/41/29/455304129.db2.gz YTTUFYKVRSZPDH-UHFFFAOYSA-N 0 0 342.392 3.079 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158844606 455332898 /nfs/dbraw/zinc/33/28/98/455332898.db2.gz JUDGRSRJHSHWLV-KRWDZBQOSA-N 0 0 332.356 3.078 10 5 EGBERN COc1cc(CN[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000184407334 455378056 /nfs/dbraw/zinc/37/80/56/455378056.db2.gz DPFXKNGFKHXGOI-SECBINFHSA-N 0 0 325.365 3.358 10 5 EGBERN CC[C@H](NCc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181761861 455380414 /nfs/dbraw/zinc/38/04/14/455380414.db2.gz ALSLGGLOVRXBKD-HNNXBMFYSA-N 0 0 329.404 3.232 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000174519591 455399944 /nfs/dbraw/zinc/39/99/44/455399944.db2.gz JXYUGBDEPMWGCC-MRXNPFEDSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1cn2cc(CC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000601002983 460671494 /nfs/dbraw/zinc/67/14/94/460671494.db2.gz FKPCIWQRWWOMER-NSHDSACASA-N 0 0 344.396 3.032 10 5 EGBERN O=C(NC[C@H]1Cc2ccccc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601004064 460672035 /nfs/dbraw/zinc/67/20/35/460672035.db2.gz WNLQZTLSTZYSEI-OAHLLOKOSA-N 0 0 336.391 3.473 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091341 455434011 /nfs/dbraw/zinc/43/40/11/455434011.db2.gz YVENHFDDIYMFOJ-OAHLLOKOSA-N 0 0 339.823 3.081 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2C)n1 ZINC000191649603 455507487 /nfs/dbraw/zinc/50/74/87/455507487.db2.gz WKOSGOUSABEGSG-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191669331 455508286 /nfs/dbraw/zinc/50/82/86/455508286.db2.gz FUVBLTRCIQGQKB-OAHLLOKOSA-N 0 0 344.415 3.295 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000191685531 455510541 /nfs/dbraw/zinc/51/05/41/455510541.db2.gz XEWWMUJNUOIKMH-FZMZJTMJSA-N 0 0 328.372 3.180 10 5 EGBERN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC(C)(C)O1 ZINC000601015278 460676750 /nfs/dbraw/zinc/67/67/50/460676750.db2.gz INJXQAJYELSMFW-ZDUSSCGKSA-N 0 0 332.400 3.042 10 5 EGBERN Cc1ccc([C@@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000182593769 455549596 /nfs/dbraw/zinc/54/95/96/455549596.db2.gz OELUFJLNVADRRG-LLVKDONJSA-N 0 0 328.328 3.397 10 5 EGBERN COc1cccc(N2CCc3c(nc(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000185382084 455551190 /nfs/dbraw/zinc/55/11/90/455551190.db2.gz DXEAKZZQNQEKSA-UHFFFAOYSA-N 0 0 330.388 3.023 10 5 EGBERN CC1(C)[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000247101732 455559124 /nfs/dbraw/zinc/55/91/24/455559124.db2.gz VFPFSBRVAOTYKB-ZWKOPEQDSA-N 0 0 339.779 3.183 10 5 EGBERN Cc1ccc(CN(C)c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])o1 ZINC000292233215 455603062 /nfs/dbraw/zinc/60/30/62/455603062.db2.gz IZFGZTRWPWIAKD-UHFFFAOYSA-N 0 0 329.356 3.025 10 5 EGBERN COc1cc(NCc2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000268186544 455613284 /nfs/dbraw/zinc/61/32/84/455613284.db2.gz MFBATBJZNXPMCU-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN COc1cc(NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1F ZINC000268191726 455614306 /nfs/dbraw/zinc/61/43/06/455614306.db2.gz NDMUJNCOLVQQPA-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277678863 455632815 /nfs/dbraw/zinc/63/28/15/455632815.db2.gz GFZUUZOASDZOHZ-ZYHUDNBSSA-N 0 0 341.433 3.001 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000268501649 455699578 /nfs/dbraw/zinc/69/95/78/455699578.db2.gz SMYPVYSUBWVQMN-FVOPLDGLSA-N 0 0 334.372 3.008 10 5 EGBERN C[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271749859 455745792 /nfs/dbraw/zinc/74/57/92/455745792.db2.gz FOZPMTZOEWTIBZ-XJKSGUPXSA-N 0 0 343.383 3.079 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1coc(C2CCC2)n1 ZINC000193993838 455790664 /nfs/dbraw/zinc/79/06/64/455790664.db2.gz IYYROSWIUKJXCS-SNVBAGLBSA-N 0 0 327.340 3.442 10 5 EGBERN CC[C@]1(CO)CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000278270189 455802179 /nfs/dbraw/zinc/80/21/79/455802179.db2.gz ARVBRALZZGNOLT-INIZCTEOSA-N 0 0 340.807 3.181 10 5 EGBERN C[C@@H](CCCO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295483350 455850708 /nfs/dbraw/zinc/85/07/08/455850708.db2.gz RDFQUBFNBNUZEG-ZDUSSCGKSA-N 0 0 338.407 3.232 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000255370985 455866300 /nfs/dbraw/zinc/86/63/00/455866300.db2.gz HIXGZJOCZCAHRY-BQHGXPCASA-N 0 0 340.379 3.387 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000601082720 460702133 /nfs/dbraw/zinc/70/21/33/460702133.db2.gz NYYBBJHSFLOIIU-PHIMTYICSA-N 0 0 346.305 3.003 10 5 EGBERN CCc1nocc1CN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000296554224 455972676 /nfs/dbraw/zinc/97/26/76/455972676.db2.gz FTEQDVAKGHUKEG-LLVKDONJSA-N 0 0 332.360 3.048 10 5 EGBERN Cc1nc(SCCOc2ccccc2[N+](=O)[O-])[nH]c(=O)c1C1CC1 ZINC000601088623 460704898 /nfs/dbraw/zinc/70/48/98/460704898.db2.gz WGOXMWQJMDVUST-UHFFFAOYSA-N 0 0 347.396 3.447 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1c1ccccn1 ZINC000601106275 460712194 /nfs/dbraw/zinc/71/21/94/460712194.db2.gz OPMDOHWHTGAFAD-JTQLQIEISA-N 0 0 341.293 3.084 10 5 EGBERN Cc1cc(N[C@H](CO)CC(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301264129 456075537 /nfs/dbraw/zinc/07/55/37/456075537.db2.gz VRTWTDPSZUJZJW-AWEZNQCLSA-N 0 0 330.388 3.179 10 5 EGBERN Cc1cccc(CN2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000301292724 456083456 /nfs/dbraw/zinc/08/34/56/456083456.db2.gz VRIMOOBYBKBTPR-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN COc1ccc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1OC ZINC000601098694 460709856 /nfs/dbraw/zinc/70/98/56/460709856.db2.gz DYWTXYKRDFYEJJ-UHFFFAOYSA-N 0 0 346.265 3.108 10 5 EGBERN C[Si](C)(C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000225536088 456092108 /nfs/dbraw/zinc/09/21/08/456092108.db2.gz CTJAVSLKUYEDPV-UHFFFAOYSA-N 0 0 330.482 3.139 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1c1cccnc1 ZINC000601101484 460711013 /nfs/dbraw/zinc/71/10/13/460711013.db2.gz SHWUNTUEBLXOMR-SNVBAGLBSA-N 0 0 341.293 3.084 10 5 EGBERN COc1cc(N(C)Cc2nc3ccccc3n2C)c([N+](=O)[O-])cc1F ZINC000301609213 456160823 /nfs/dbraw/zinc/16/08/23/456160823.db2.gz AWCAWYZEOQGNNJ-UHFFFAOYSA-N 0 0 344.346 3.266 10 5 EGBERN COc1cc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000301619577 456165301 /nfs/dbraw/zinc/16/53/01/456165301.db2.gz LXZDYMSWYVOSOX-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301759986 456208643 /nfs/dbraw/zinc/20/86/43/456208643.db2.gz ZQXLYYFHVVULJR-BONVTDFDSA-N 0 0 333.775 3.472 10 5 EGBERN CC(=O)c1ccc(N2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000301764114 456209430 /nfs/dbraw/zinc/20/94/30/456209430.db2.gz FJMFWQVJULPTEI-UHFFFAOYSA-N 0 0 332.400 3.440 10 5 EGBERN CC[C@@H](c1ccncc1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601122159 460718700 /nfs/dbraw/zinc/71/87/00/460718700.db2.gz SLPBGJFVPSDTHC-JTQLQIEISA-N 0 0 343.309 3.330 10 5 EGBERN CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000301955860 456258211 /nfs/dbraw/zinc/25/82/11/456258211.db2.gz FHGQVACTXFGMLG-UHFFFAOYSA-N 0 0 325.372 3.318 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@@H]3c3c(F)cccc3Cl)nn21 ZINC000301956994 456258797 /nfs/dbraw/zinc/25/87/97/456258797.db2.gz FYOVMBKYUNFRMW-GZMMTYOYSA-N 0 0 347.737 3.398 10 5 EGBERN Cc1ccc(OC(F)F)c(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301969294 456262368 /nfs/dbraw/zinc/26/23/68/456262368.db2.gz QDUMNQGMVQTPHO-UHFFFAOYSA-N 0 0 349.297 3.159 10 5 EGBERN Cc1ccc2c(c1)[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CO2 ZINC000601129727 460722171 /nfs/dbraw/zinc/72/21/71/460722171.db2.gz AASWEMMOOSFWRX-VIFPVBQESA-N 0 0 342.277 3.201 10 5 EGBERN O=C(NCc1ccccc1)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302011612 456268371 /nfs/dbraw/zinc/26/83/71/456268371.db2.gz YUGSJKDIMRPORD-UHFFFAOYSA-N 0 0 345.424 3.189 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000302035578 456273456 /nfs/dbraw/zinc/27/34/56/456273456.db2.gz LRAYEWFFUOJOQJ-UHFFFAOYSA-N 0 0 342.330 3.024 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCOc4c(F)cccc43)nn21 ZINC000302053217 456276137 /nfs/dbraw/zinc/27/61/37/456276137.db2.gz PHOVCBJZZBVHKD-GFCCVEGCSA-N 0 0 343.318 3.102 10 5 EGBERN CC(C)N(Cc1ccco1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000290306504 456285542 /nfs/dbraw/zinc/28/55/42/456285542.db2.gz XWYIPGHMTDKHNE-UHFFFAOYSA-N 0 0 341.371 3.398 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(OCCO)c(C)c2)c1 ZINC000302142640 456297523 /nfs/dbraw/zinc/29/75/23/456297523.db2.gz FUOAPAZPFXTXII-UHFFFAOYSA-N 0 0 336.319 3.166 10 5 EGBERN Cc1noc(C)c1[C@@H](C)CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601135632 460726397 /nfs/dbraw/zinc/72/63/97/460726397.db2.gz WVZUEHHRHDRMKR-LURJTMIESA-N 0 0 347.297 3.168 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(N)=O)c2ccccc21 ZINC000340222205 456322239 /nfs/dbraw/zinc/32/22/39/456322239.db2.gz OUAGYVACRPWYNB-WFASDCNBSA-N 0 0 325.368 3.135 10 5 EGBERN Cc1nc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000343034268 456365492 /nfs/dbraw/zinc/36/54/92/456365492.db2.gz NOVKMLRIGOPZOZ-UHFFFAOYSA-N 0 0 346.412 3.215 10 5 EGBERN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[C@H](O)CC1 ZINC000275995104 456366070 /nfs/dbraw/zinc/36/60/70/456366070.db2.gz VNNYOIBSCFXMIT-AULYBMBSSA-N 0 0 334.397 3.185 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCC(=O)c1cccc(F)c1 ZINC000347802984 456377089 /nfs/dbraw/zinc/37/70/89/456377089.db2.gz GTDORWUWTFANQY-UHFFFAOYSA-N 0 0 344.342 3.355 10 5 EGBERN CO[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000276045930 456377480 /nfs/dbraw/zinc/37/74/80/456377480.db2.gz RFAWIWRPVJPJJT-TVQRCGJNSA-N 0 0 346.305 3.111 10 5 EGBERN CCc1n[nH]c(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000302725591 456384820 /nfs/dbraw/zinc/38/48/20/456384820.db2.gz OUSWCMLCVNGAIG-UHFFFAOYSA-N 0 0 335.795 3.313 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000298204121 456390869 /nfs/dbraw/zinc/39/08/69/456390869.db2.gz UEHIIROGSBCBRD-OAHLLOKOSA-N 0 0 335.404 3.082 10 5 EGBERN CCc1nc2n(n1)C[C@@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000302822184 456410042 /nfs/dbraw/zinc/41/00/42/456410042.db2.gz KOHWGPYZPRGMDJ-JTQLQIEISA-N 0 0 335.795 3.137 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000302827691 456412601 /nfs/dbraw/zinc/41/26/01/456412601.db2.gz BMNHYSQECQRYFF-KRWDZBQOSA-N 0 0 345.374 3.219 10 5 EGBERN COc1ccc(Cl)cc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353002128 456441926 /nfs/dbraw/zinc/44/19/26/456441926.db2.gz UFVGPTKTUJRMGD-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000353133534 456513762 /nfs/dbraw/zinc/51/37/62/456513762.db2.gz BSSKFQNMFDEFRC-GFCCVEGCSA-N 0 0 348.790 3.094 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000304418046 456514099 /nfs/dbraw/zinc/51/40/99/456514099.db2.gz RCGNIWBVMLMKEN-INIZCTEOSA-N 0 0 342.823 3.094 10 5 EGBERN CC[C@H](C)n1[nH]c(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C ZINC000343305732 456519252 /nfs/dbraw/zinc/51/92/52/456519252.db2.gz QAFDMYDBPDFRMN-JTQLQIEISA-N 0 0 341.371 3.226 10 5 EGBERN CC(C)(C)Oc1cc(NCCCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000343308560 456521242 /nfs/dbraw/zinc/52/12/42/456521242.db2.gz YNTKAUXNCPANRX-UHFFFAOYSA-N 0 0 335.404 3.197 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348230289 456552542 /nfs/dbraw/zinc/55/25/42/456552542.db2.gz NJDNSVDWRMXCCM-OPQQBVKSSA-N 0 0 345.321 3.195 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCOc4cccc(F)c4C3)c21 ZINC000337826279 456567095 /nfs/dbraw/zinc/56/70/95/456567095.db2.gz TTXMOXGCYSWDLR-UHFFFAOYSA-N 0 0 340.314 3.076 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000343395974 456590481 /nfs/dbraw/zinc/59/04/81/456590481.db2.gz HPGWHRBEDHYJKW-GFCCVEGCSA-N 0 0 343.383 3.217 10 5 EGBERN CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000338002405 456648505 /nfs/dbraw/zinc/64/85/05/456648505.db2.gz OFZZWDMCWIKEHO-UHFFFAOYSA-N 0 0 342.399 3.074 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cn1 ZINC000282876111 456652780 /nfs/dbraw/zinc/65/27/80/456652780.db2.gz WKTOEYXFUXXNOS-UHFFFAOYSA-N 0 0 348.790 3.027 10 5 EGBERN O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759533 456671416 /nfs/dbraw/zinc/67/14/16/456671416.db2.gz SPYZLPXESJNBSH-GJZGRUSLSA-N 0 0 340.420 3.220 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000343572880 456716191 /nfs/dbraw/zinc/71/61/91/456716191.db2.gz AHHPWHJQGQSEGW-UHFFFAOYSA-N 0 0 344.371 3.083 10 5 EGBERN COc1ccc(-c2ccc(CN(C)Cc3cc[nH]n3)o2)c([N+](=O)[O-])c1 ZINC000353522445 456733150 /nfs/dbraw/zinc/73/31/50/456733150.db2.gz VBNYROSNICEWCR-UHFFFAOYSA-N 0 0 342.355 3.219 10 5 EGBERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338320110 456769801 /nfs/dbraw/zinc/76/98/01/456769801.db2.gz DFXAPSMWQBMICC-UHFFFAOYSA-N 0 0 330.388 3.064 10 5 EGBERN C[C@]12CCN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000291874681 456783951 /nfs/dbraw/zinc/78/39/51/456783951.db2.gz INQFNEIARZJLHJ-KOLCDFICSA-N 0 0 348.147 3.234 10 5 EGBERN Cc1cc(NCc2cscn2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301086684 456792394 /nfs/dbraw/zinc/79/23/94/456792394.db2.gz GRHWBKPVZZYYNS-UHFFFAOYSA-N 0 0 327.369 3.429 10 5 EGBERN COc1ccc(CC2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000301120034 456801442 /nfs/dbraw/zinc/80/14/42/456801442.db2.gz LYPPWTMNUXOZDG-UHFFFAOYSA-N 0 0 344.415 3.104 10 5 EGBERN O=C(c1csc(C(F)(F)F)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000341170931 456819914 /nfs/dbraw/zinc/81/99/14/456819914.db2.gz KGTOYWMTJAVODM-UHFFFAOYSA-N 0 0 343.286 3.273 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277439454 456826666 /nfs/dbraw/zinc/82/66/66/456826666.db2.gz MLIHEVQYYCADGE-LLVKDONJSA-N 0 0 331.294 3.079 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341711871 456910305 /nfs/dbraw/zinc/91/03/05/456910305.db2.gz ICNBUJRIKANFSX-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2n1 ZINC000339126196 456951658 /nfs/dbraw/zinc/95/16/58/456951658.db2.gz SSARRIALLBARQH-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCO)Cc1ccc(C)o1 ZINC000353938126 456972688 /nfs/dbraw/zinc/97/26/88/456972688.db2.gz RQTFWUSROUWWRY-UHFFFAOYSA-N 0 0 347.371 3.085 10 5 EGBERN Cc1ncc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C2CC2)n1 ZINC000339199505 456988020 /nfs/dbraw/zinc/98/80/20/456988020.db2.gz QUFWVYSJPLMFDI-UHFFFAOYSA-N 0 0 326.356 3.060 10 5 EGBERN COc1c(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000356488442 457016751 /nfs/dbraw/zinc/01/67/51/457016751.db2.gz YAGZHYFBGLXIDC-GFCCVEGCSA-N 0 0 344.367 3.012 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc3c(c2)OCCCO3)n1 ZINC000359086527 457051534 /nfs/dbraw/zinc/05/15/34/457051534.db2.gz VHLPLCSENKWVGL-UHFFFAOYSA-N 0 0 329.356 3.380 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330523171 457053042 /nfs/dbraw/zinc/05/30/42/457053042.db2.gz IOJXGGIKRVLEOM-RWYTXXIDSA-N 0 0 343.177 3.109 10 5 EGBERN CCNc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)cc1[N+](=O)[O-] ZINC000339391297 457087310 /nfs/dbraw/zinc/08/73/10/457087310.db2.gz CYRRFLHAQKWRSS-UHFFFAOYSA-N 0 0 339.355 3.235 10 5 EGBERN CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330839626 457092869 /nfs/dbraw/zinc/09/28/69/457092869.db2.gz VQUJZCWPOCXPSF-ONGXEEELSA-N 0 0 328.315 3.457 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccccc3)co2)c1[N+](=O)[O-] ZINC000339403272 457096361 /nfs/dbraw/zinc/09/63/61/457096361.db2.gz DCIXLPZVZUXUHR-UHFFFAOYSA-N 0 0 341.327 3.178 10 5 EGBERN CN(C(=O)[C@]1(C)CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000342091354 457103837 /nfs/dbraw/zinc/10/38/37/457103837.db2.gz KLUUBYCZPGNXCG-INIZCTEOSA-N 0 0 347.396 3.250 10 5 EGBERN Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])cc2n1C ZINC000356666100 457109123 /nfs/dbraw/zinc/10/91/23/457109123.db2.gz RROXVLHEQLSMHO-LLVKDONJSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])cc2n1C ZINC000356666108 457109544 /nfs/dbraw/zinc/10/95/44/457109544.db2.gz RROXVLHEQLSMHO-NSHDSACASA-N 0 0 338.367 3.281 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349946568 457118014 /nfs/dbraw/zinc/11/80/14/457118014.db2.gz KEEZMLUDNRFDEG-UHFFFAOYSA-N 0 0 349.774 3.071 10 5 EGBERN CCO[C@@H](C)c1noc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347050690 457204962 /nfs/dbraw/zinc/20/49/62/457204962.db2.gz UENQARJZBRDFDW-NEPJUHHUSA-N 0 0 334.376 3.268 10 5 EGBERN COC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000339728409 457237187 /nfs/dbraw/zinc/23/71/87/457237187.db2.gz CCHKCVPHAIOOAY-OAHLLOKOSA-N 0 0 339.351 3.194 10 5 EGBERN CC(C)N(C(=O)CSc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000342323855 457237769 /nfs/dbraw/zinc/23/77/69/457237769.db2.gz USHMDDIDXIVSRX-UHFFFAOYSA-N 0 0 338.429 3.103 10 5 EGBERN CCCC[C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000347139404 457251486 /nfs/dbraw/zinc/25/14/86/457251486.db2.gz IGAVRKOKYNIILP-LBPRGKRZSA-N 0 0 346.387 3.130 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(NC(C)=O)cc2F)c1 ZINC000360128346 457268323 /nfs/dbraw/zinc/26/83/23/457268323.db2.gz OXABRSAHJKTQJB-UHFFFAOYSA-N 0 0 348.286 3.271 10 5 EGBERN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn[nH]c1 ZINC000339791281 457271208 /nfs/dbraw/zinc/27/12/08/457271208.db2.gz FOGUFCONKMFMHJ-SNVBAGLBSA-N 0 0 329.385 3.292 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cn1 ZINC000360184432 457292835 /nfs/dbraw/zinc/29/28/35/457292835.db2.gz KSADCMAELMILLT-LLVKDONJSA-N 0 0 341.293 3.047 10 5 EGBERN CN(CCc1cccs1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432662 457300721 /nfs/dbraw/zinc/30/07/21/457300721.db2.gz SVILUQSXTCZDHD-UHFFFAOYSA-N 0 0 340.351 3.178 10 5 EGBERN O=C(c1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1)N1CCCCC1 ZINC000354660320 457303343 /nfs/dbraw/zinc/30/33/43/457303343.db2.gz NHKHBXXSLNBUSO-UHFFFAOYSA-N 0 0 340.383 3.228 10 5 EGBERN CCOC(=O)c1c(C)onc1COc1ccc(CC)cc1[N+](=O)[O-] ZINC000351683636 457311482 /nfs/dbraw/zinc/31/14/82/457311482.db2.gz BERSZSGIVAKTBG-UHFFFAOYSA-N 0 0 334.328 3.209 10 5 EGBERN CC(C)C[C@@H](C)Oc1cc(CNc2ccncc2[N+](=O)[O-])ccn1 ZINC000347267798 457321447 /nfs/dbraw/zinc/32/14/47/457321447.db2.gz DZXAEHGMPISONC-CYBMUJFWSA-N 0 0 330.388 3.232 10 5 EGBERN Cc1ccc([C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C(C)C)cc1 ZINC000347283640 457330038 /nfs/dbraw/zinc/33/00/38/457330038.db2.gz JVGMFNJLYPWREQ-CQSZACIVSA-N 0 0 341.371 3.475 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCCOCC1 ZINC000369737253 457373603 /nfs/dbraw/zinc/37/36/03/457373603.db2.gz RSVQYOIHQWOFHV-SECBINFHSA-N 0 0 343.177 3.113 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000360881469 457403799 /nfs/dbraw/zinc/40/37/99/457403799.db2.gz BBXKBIUIJHPWSX-ZWNOBZJWSA-N 0 0 346.305 3.163 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)nc1 ZINC000357329033 457449909 /nfs/dbraw/zinc/44/99/09/457449909.db2.gz APECCUYSYLCRKB-UHFFFAOYSA-N 0 0 346.730 3.196 10 5 EGBERN COc1cc(CN2CCOC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352540106 457450797 /nfs/dbraw/zinc/45/07/97/457450797.db2.gz HEJDSYQJQBKOHS-KRWDZBQOSA-N 0 0 328.368 3.177 10 5 EGBERN CCOc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)ccc1C ZINC000357330985 457451436 /nfs/dbraw/zinc/45/14/36/457451436.db2.gz PQOBNSCCBLMATR-UHFFFAOYSA-N 0 0 340.339 3.338 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000360948589 457456010 /nfs/dbraw/zinc/45/60/10/457456010.db2.gz AUZVEJKJJPZESZ-UHFFFAOYSA-N 0 0 332.404 3.381 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1OC ZINC000357342069 457460537 /nfs/dbraw/zinc/46/05/37/457460537.db2.gz WMSCODGITSRXFJ-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000360971242 457478447 /nfs/dbraw/zinc/47/84/47/457478447.db2.gz QYDOQERKCOOMEV-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(C)(C)C(C)(C)C ZINC000342804084 457535546 /nfs/dbraw/zinc/53/55/46/457535546.db2.gz NABGCPBMQFKTSQ-UHFFFAOYSA-N 0 0 335.404 3.091 10 5 EGBERN CCc1nn(C)c(N2CC(c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000361054863 457549640 /nfs/dbraw/zinc/54/96/40/457549640.db2.gz CJSHRERXLSEQDH-UHFFFAOYSA-N 0 0 343.412 3.104 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425527235 457585737 /nfs/dbraw/zinc/58/57/37/457585737.db2.gz ZKEAVHFRQDLNGJ-PEGIJTEDSA-N 0 0 343.305 3.211 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000374502955 457643736 /nfs/dbraw/zinc/64/37/36/457643736.db2.gz HTEQPPXJHLJQDG-UHFFFAOYSA-N 0 0 327.340 3.090 10 5 EGBERN CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000361248078 457665527 /nfs/dbraw/zinc/66/55/27/457665527.db2.gz AGYLPQPWFGAGDA-CYBMUJFWSA-N 0 0 346.383 3.474 10 5 EGBERN COC1CCC(Cc2noc(CNc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000357725758 457669981 /nfs/dbraw/zinc/66/99/81/457669981.db2.gz CURRRWFIGTZBRA-UHFFFAOYSA-N 0 0 346.387 3.338 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000370578177 457676714 /nfs/dbraw/zinc/67/67/14/457676714.db2.gz SJZJMRMIBNIFKT-HZPDHXFCSA-N 0 0 347.415 3.190 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000370621604 457684170 /nfs/dbraw/zinc/68/41/70/457684170.db2.gz GIYJKVHWAHZDMX-GFCCVEGCSA-N 0 0 334.401 3.066 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000374820039 457713100 /nfs/dbraw/zinc/71/31/00/457713100.db2.gz BFRACUDXHGPQMU-QGZVFWFLSA-N 0 0 347.321 3.027 10 5 EGBERN Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(-c2ccccn2)n1 ZINC000357873087 457719957 /nfs/dbraw/zinc/71/99/57/457719957.db2.gz GYVVBZGCZDYEBD-UHFFFAOYSA-N 0 0 335.367 3.098 10 5 EGBERN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)C(F)(F)F ZINC000357894088 457725802 /nfs/dbraw/zinc/72/58/02/457725802.db2.gz FTKZBYROIFFMMV-VIFPVBQESA-N 0 0 343.305 3.418 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1C[C@H]1C(F)(F)F ZINC000410702452 457746307 /nfs/dbraw/zinc/74/63/07/457746307.db2.gz FOQXUFIOUHGYBT-RKDXNWHRSA-N 0 0 325.246 3.280 10 5 EGBERN CCc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])s3)cc2)n1 ZINC000443515921 457775583 /nfs/dbraw/zinc/77/55/83/457775583.db2.gz MBAAHOMIDBKPOB-UHFFFAOYSA-N 0 0 348.340 3.368 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433244979 457789651 /nfs/dbraw/zinc/78/96/51/457789651.db2.gz HXJNWLVTJYCTOU-SWLSCSKDSA-N 0 0 346.383 3.402 10 5 EGBERN CCc1cnc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000426625219 457864224 /nfs/dbraw/zinc/86/42/24/457864224.db2.gz YPPZKBJCNMCLAX-CYBMUJFWSA-N 0 0 346.456 3.497 10 5 EGBERN CC1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000427200087 457957823 /nfs/dbraw/zinc/95/78/23/457957823.db2.gz XLPAFDNVYIZWEO-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000375546872 457967480 /nfs/dbraw/zinc/96/74/80/457967480.db2.gz RCRHLIZASARVJT-DYVFJYSZSA-N 0 0 337.383 3.462 10 5 EGBERN COc1cc(CSCc2cnc(OC)nc2C)ccc1[N+](=O)[O-] ZINC000358482199 458027325 /nfs/dbraw/zinc/02/73/25/458027325.db2.gz JYDGTLSLJDLGAU-UHFFFAOYSA-N 0 0 335.385 3.144 10 5 EGBERN CCOc1ccc(NC(=O)CN2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412046305 458065227 /nfs/dbraw/zinc/06/52/27/458065227.db2.gz QYFDOEFZHUAGSF-GFCCVEGCSA-N 0 0 335.404 3.052 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000445579012 458065945 /nfs/dbraw/zinc/06/59/45/458065945.db2.gz GVWMUKBYNZLVQD-UWVGGRQHSA-N 0 0 345.746 3.303 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CC/C=C\c3ccccc3)n2)n1C ZINC000445615882 458071408 /nfs/dbraw/zinc/07/14/08/458071408.db2.gz MVNYHTIZBOGDNX-POHAHGRESA-N 0 0 339.355 3.333 10 5 EGBERN CC[C@H](NC(=O)NC[C@@]1(O)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000458529764 458083187 /nfs/dbraw/zinc/08/31/87/458083187.db2.gz ZRGRRIHJKLRQIZ-YJBOKZPZSA-N 0 0 349.431 3.286 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](Cc4ccccc4)C3)nn21 ZINC000362428393 458170173 /nfs/dbraw/zinc/17/01/73/458170173.db2.gz JAULCZBAZMDPPO-OAHLLOKOSA-N 0 0 337.383 3.097 10 5 EGBERN CCOc1nc(C)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000362460631 458194326 /nfs/dbraw/zinc/19/43/26/458194326.db2.gz MTHSHUIKPWLTGA-LBPRGKRZSA-N 0 0 341.367 3.288 10 5 EGBERN COc1cccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1[N+](=O)[O-] ZINC000435874725 458216824 /nfs/dbraw/zinc/21/68/24/458216824.db2.gz NEEAAPUFFSHWHZ-AWEZNQCLSA-N 0 0 342.351 3.084 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000362591141 458287557 /nfs/dbraw/zinc/28/75/57/458287557.db2.gz KTHXYIMEKLVYPI-UHFFFAOYSA-N 0 0 332.331 3.080 10 5 EGBERN CC(C)(NCC(=O)Nc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429251461 458298925 /nfs/dbraw/zinc/29/89/25/458298925.db2.gz BIIUIPZMNMSXTD-UHFFFAOYSA-N 0 0 331.347 3.197 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000430116899 458404324 /nfs/dbraw/zinc/40/43/24/458404324.db2.gz AOODVPOSUIFCLS-KKXDTOCCSA-N 0 0 339.395 3.173 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000430262071 458430698 /nfs/dbraw/zinc/43/06/98/458430698.db2.gz WZUVKPNFUOCMON-GFCCVEGCSA-N 0 0 339.189 3.420 10 5 EGBERN Cc1cnc(CCCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)o1 ZINC000459983624 458494480 /nfs/dbraw/zinc/49/44/80/458494480.db2.gz GRYUFIQZSMJBRB-NSHDSACASA-N 0 0 329.356 3.192 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438384832 458572869 /nfs/dbraw/zinc/57/28/69/458572869.db2.gz XXVNGGGPPDVGAT-RZLSGREXSA-N 0 0 334.416 3.188 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000373742051 458588941 /nfs/dbraw/zinc/58/89/41/458588941.db2.gz IMXGUEVKKJJGAW-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000438836939 458619767 /nfs/dbraw/zinc/61/97/67/458619767.db2.gz QXJSYBLDWSPRND-GFCCVEGCSA-N 0 0 330.384 3.485 10 5 EGBERN Cc1cc(NC(=O)Cc2ccccc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462585421 458632674 /nfs/dbraw/zinc/63/26/74/458632674.db2.gz VVFSVXWIOFHEEG-UHFFFAOYSA-N 0 0 335.363 3.363 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000438953213 458633217 /nfs/dbraw/zinc/63/32/17/458633217.db2.gz ZDHHTSZGSUUVJM-NEPJUHHUSA-N 0 0 338.791 3.055 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]c(=O)cc1C ZINC000462635591 458637250 /nfs/dbraw/zinc/63/72/50/458637250.db2.gz CSUBADNFERBYOH-CYBMUJFWSA-N 0 0 329.356 3.211 10 5 EGBERN CCOC(=O)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000462900804 458666138 /nfs/dbraw/zinc/66/61/38/458666138.db2.gz DOEYPUQVDCMWKY-AWEZNQCLSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1cc(C)n([C@H](C)c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)n1 ZINC000547109673 458699491 /nfs/dbraw/zinc/69/94/91/458699491.db2.gz KQRCXDYHFVYFTK-GFCCVEGCSA-N 0 0 327.344 3.376 10 5 EGBERN COC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000494695444 458732087 /nfs/dbraw/zinc/73/20/87/458732087.db2.gz WNUXVDNGWKNBRK-LLVKDONJSA-N 0 0 343.339 3.264 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000471983779 458760640 /nfs/dbraw/zinc/76/06/40/458760640.db2.gz DBMLWCSKIDRACN-PWSUYJOCSA-N 0 0 345.321 3.120 10 5 EGBERN CCc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000530597429 458796806 /nfs/dbraw/zinc/79/68/06/458796806.db2.gz XVIHHMNRVVXEKM-UHFFFAOYSA-N 0 0 338.323 3.058 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(F)cc1C ZINC000495164637 458804372 /nfs/dbraw/zinc/80/43/72/458804372.db2.gz OYMIMVQTILTZON-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000474150777 458865256 /nfs/dbraw/zinc/86/52/56/458865256.db2.gz KHCSFZUBOAQECE-UHFFFAOYSA-N 0 0 345.321 3.259 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1CCCCC1 ZINC000518659746 458883592 /nfs/dbraw/zinc/88/35/92/458883592.db2.gz MLHNOAHHDISLOD-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN COc1cc(C(=O)NCC2(C3CCC3)CCC2)c([N+](=O)[O-])cc1F ZINC000457164066 458886798 /nfs/dbraw/zinc/88/67/98/458886798.db2.gz SMTIJCXSIANCFX-UHFFFAOYSA-N 0 0 336.363 3.443 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000476146300 458982288 /nfs/dbraw/zinc/98/22/88/458982288.db2.gz IFBTXCRNBLZSLG-OAHLLOKOSA-N 0 0 326.352 3.384 10 5 EGBERN O=C(Nc1scnc1-c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531881798 458993455 /nfs/dbraw/zinc/99/34/55/458993455.db2.gz XNFGGKGHAPQGQD-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000519891003 459019045 /nfs/dbraw/zinc/01/90/45/459019045.db2.gz ALWLPSKAMVVMFY-UHFFFAOYSA-N 0 0 340.426 3.176 10 5 EGBERN C[C@H](C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566951500 459025419 /nfs/dbraw/zinc/02/54/19/459025419.db2.gz WKCAWPGDYKXDPN-BLLLJJGKSA-N 0 0 344.415 3.335 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000532138929 459035255 /nfs/dbraw/zinc/03/52/55/459035255.db2.gz DHZUVIFUPPKEFO-HUUCEWRRSA-N 0 0 335.404 3.046 10 5 EGBERN CC(C)(C)c1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532138539 459035881 /nfs/dbraw/zinc/03/58/81/459035881.db2.gz QPBQZSWXNNBJNI-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN Cc1ccnc(N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000577488329 459041613 /nfs/dbraw/zinc/04/16/13/459041613.db2.gz SMKRGOYTHFQYSG-YPMHNXCESA-N 0 0 335.404 3.102 10 5 EGBERN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000532397718 459081155 /nfs/dbraw/zinc/08/11/55/459081155.db2.gz DCRUTWBCAGFVCL-GFCCVEGCSA-N 0 0 333.344 3.096 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)c2c1 ZINC000594534780 459081631 /nfs/dbraw/zinc/08/16/31/459081631.db2.gz BWPZLVKLMMCGAF-IEBDPFPHSA-N 0 0 325.328 3.425 10 5 EGBERN Cc1ncn(CCCCc2noc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000594535138 459082132 /nfs/dbraw/zinc/08/21/32/459082132.db2.gz ULEBSXJYLRDSLR-UHFFFAOYSA-N 0 0 341.371 3.481 10 5 EGBERN CCCCCNC(=O)C1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000594544714 459086090 /nfs/dbraw/zinc/08/60/90/459086090.db2.gz AVWUPRDSSJPMCH-UHFFFAOYSA-N 0 0 349.431 3.126 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000594569774 459095005 /nfs/dbraw/zinc/09/50/05/459095005.db2.gz STHJALFTIIICTL-IBGZPJMESA-N 0 0 340.379 3.282 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1N1CCOCC1 ZINC000594586685 459099684 /nfs/dbraw/zinc/09/96/84/459099684.db2.gz ZHUBZTRXTJWCJO-RWMBFGLXSA-N 0 0 335.379 3.171 10 5 EGBERN COC(=O)Cc1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594590253 459101041 /nfs/dbraw/zinc/10/10/41/459101041.db2.gz JIBPTMMCJHOBRH-SJLPKXTDSA-N 0 0 348.399 3.070 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)Cc2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000594594176 459101599 /nfs/dbraw/zinc/10/15/99/459101599.db2.gz PSEWLXIUSJPGRV-LBPRGKRZSA-N 0 0 329.356 3.128 10 5 EGBERN COC(=O)Cc1ccc(NC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000594597813 459103139 /nfs/dbraw/zinc/10/31/39/459103139.db2.gz BDINJSDGCZPDBI-AWEZNQCLSA-N 0 0 348.399 3.214 10 5 EGBERN CCc1nn(C)c(N[C@@H](Cc2ccccc2)c2ncco2)c1[N+](=O)[O-] ZINC000594599050 459104362 /nfs/dbraw/zinc/10/43/62/459104362.db2.gz LTLKQRSYAGZIRH-AWEZNQCLSA-N 0 0 341.371 3.275 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594600530 459105223 /nfs/dbraw/zinc/10/52/23/459105223.db2.gz LZAXQLGSUSJHSY-NXEZZACHSA-N 0 0 336.314 3.032 10 5 EGBERN Cc1ccc(CS(=O)(=O)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000558083878 459130462 /nfs/dbraw/zinc/13/04/62/459130462.db2.gz RRSWKXVJROEYAZ-UHFFFAOYSA-N 0 0 348.424 3.140 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000590442227 459130901 /nfs/dbraw/zinc/13/09/01/459130901.db2.gz OSQFUOFLBZKXLY-LYRGGWFBSA-N 0 0 342.399 3.251 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000578195772 459160573 /nfs/dbraw/zinc/16/05/73/459160573.db2.gz MGYMAUPXSSLQMJ-OAHLLOKOSA-N 0 0 345.355 3.135 10 5 EGBERN CCOC(=O)CC[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590695861 459186550 /nfs/dbraw/zinc/18/65/50/459186550.db2.gz QZJARWUYNYFENQ-GFCCVEGCSA-N 0 0 346.387 3.031 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c2c1 ZINC000590712689 459191590 /nfs/dbraw/zinc/19/15/90/459191590.db2.gz CXRDHLYBHIMFAF-XYPHTWIQSA-N 0 0 342.399 3.058 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(SCc2ccc3c(c2)OCO3)c1 ZINC000480791525 459218237 /nfs/dbraw/zinc/21/82/37/459218237.db2.gz RSBMQPSMODIXDA-UHFFFAOYSA-N 0 0 347.348 3.402 10 5 EGBERN CCc1ccc(C(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590883891 459257826 /nfs/dbraw/zinc/25/78/26/459257826.db2.gz HXFSUZWJLAQZRC-UHFFFAOYSA-N 0 0 342.342 3.437 10 5 EGBERN Cc1sc(C(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590883902 459258062 /nfs/dbraw/zinc/25/80/62/459258062.db2.gz IJXWOLAJPHIHQE-UHFFFAOYSA-N 0 0 334.344 3.245 10 5 EGBERN Cc1noc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328772 459278225 /nfs/dbraw/zinc/27/82/25/459278225.db2.gz ZFQMMBSZHQUTRK-CZUORRHYSA-N 0 0 345.399 3.470 10 5 EGBERN COc1ccc(CNC(=O)N2CCC(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000595446794 459305130 /nfs/dbraw/zinc/30/51/30/459305130.db2.gz DNKKOSFLXLGXFF-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@H](NC(=O)N1CC2(CCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595480062 459317734 /nfs/dbraw/zinc/31/77/34/459317734.db2.gz HXRJDWMMSQHWBZ-OLZOCXBDSA-N 0 0 333.388 3.009 10 5 EGBERN C[C@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595478564 459317881 /nfs/dbraw/zinc/31/78/81/459317881.db2.gz AKOVIILBWYVLHN-HZMBPMFUSA-N 0 0 327.331 3.390 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000595516883 459331548 /nfs/dbraw/zinc/33/15/48/459331548.db2.gz CDAFGCHVKDZJED-WMLDXEAASA-N 0 0 349.431 3.174 10 5 EGBERN Cc1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000534772808 459352004 /nfs/dbraw/zinc/35/20/04/459352004.db2.gz SDKGWHVCHRKSPR-MRXNPFEDSA-N 0 0 329.331 3.318 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337602 459358582 /nfs/dbraw/zinc/35/85/82/459358582.db2.gz DTFLZCLOGHIGOY-SJCJKPOMSA-N 0 0 325.368 3.328 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000524542165 459371468 /nfs/dbraw/zinc/37/14/68/459371468.db2.gz FEROKSVSZZQIEN-VXGBXAGGSA-N 0 0 334.372 3.270 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000525041135 459411993 /nfs/dbraw/zinc/41/19/93/459411993.db2.gz FWBSCPNLVRJSTN-LPHOPBHVSA-N 0 0 340.379 3.372 10 5 EGBERN COc1ccc(CNC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000540986614 459415636 /nfs/dbraw/zinc/41/56/36/459415636.db2.gz ADBKIVRWSYVBHS-UGSOOPFHSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1O ZINC000595731881 459417573 /nfs/dbraw/zinc/41/75/73/459417573.db2.gz HSZWUIPZQNEGFG-NXEZZACHSA-N 0 0 332.322 3.062 10 5 EGBERN CCOc1c(F)cccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000541065018 459425088 /nfs/dbraw/zinc/42/50/88/459425088.db2.gz LVHZPQBUSZQHKR-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN COc1cc(-c2nc([C@H]3C[C@H]3C)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000569357171 459438406 /nfs/dbraw/zinc/43/84/06/459438406.db2.gz YDACYYGODLUFDB-RQJHMYQMSA-N 0 0 341.270 3.378 10 5 EGBERN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889975 459476620 /nfs/dbraw/zinc/47/66/20/459476620.db2.gz JZJYXDSUAGYFQI-RYUDHWBXSA-N 0 0 348.321 3.015 10 5 EGBERN C[C@@H]1OCCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C(F)(F)F ZINC000595891521 459476649 /nfs/dbraw/zinc/47/66/49/459476649.db2.gz IORGHNSZLHGNTO-FZMZJTMJSA-N 0 0 348.321 3.015 10 5 EGBERN CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000561734188 459477665 /nfs/dbraw/zinc/47/76/65/459477665.db2.gz LVBMPPURGPRLGX-UHFFFAOYSA-N 0 0 330.388 3.203 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000595893863 459478256 /nfs/dbraw/zinc/47/82/56/459478256.db2.gz ZAEXKQXZTJRIAP-LBPRGKRZSA-N 0 0 329.404 3.061 10 5 EGBERN CCOC(=O)Cc1ccc(NCCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000591923460 459486194 /nfs/dbraw/zinc/48/61/94/459486194.db2.gz DPIUXFAVSWKMGB-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN CCOC(=O)Cc1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000591928445 459488944 /nfs/dbraw/zinc/48/89/44/459488944.db2.gz OVXNIHPTULTINS-UHFFFAOYSA-N 0 0 349.774 3.361 10 5 EGBERN C[C@@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596010845 459495050 /nfs/dbraw/zinc/49/50/50/459495050.db2.gz VGSBKJSHFDMYIT-GFCCVEGCSA-N 0 0 342.399 3.033 10 5 EGBERN CCCC[C@@](C)(CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000591973038 459502209 /nfs/dbraw/zinc/50/22/09/459502209.db2.gz HXJXFIJFBYOPTA-ZDUSSCGKSA-N 0 0 346.225 3.414 10 5 EGBERN COc1cc(NCc2ccc(N(C)C)nc2)c(Cl)cc1[N+](=O)[O-] ZINC000596074361 459510249 /nfs/dbraw/zinc/51/02/49/459510249.db2.gz UHOWIYMNBJUMKJ-UHFFFAOYSA-N 0 0 336.779 3.330 10 5 EGBERN COc1cc(NCCC(=O)N2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596080205 459511331 /nfs/dbraw/zinc/51/13/31/459511331.db2.gz BRRIPFBEYBZOMR-UHFFFAOYSA-N 0 0 341.795 3.071 10 5 EGBERN CC1CCC(OC2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596118978 459527434 /nfs/dbraw/zinc/52/74/34/459527434.db2.gz ISAWRTZZVYBAFC-UHFFFAOYSA-N 0 0 334.420 3.136 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596130858 459531334 /nfs/dbraw/zinc/53/13/34/459531334.db2.gz ZREPKWOARSUSPP-RKDXNWHRSA-N 0 0 344.820 3.365 10 5 EGBERN COc1cc(N2CCOC3(CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596168536 459545608 /nfs/dbraw/zinc/54/56/08/459545608.db2.gz OFDUNQCDIMIMAW-UHFFFAOYSA-N 0 0 326.780 3.406 10 5 EGBERN Cc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323665 459547192 /nfs/dbraw/zinc/54/71/92/459547192.db2.gz WXKRDLQPHVHLLG-INIZCTEOSA-N 0 0 339.395 3.331 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000596191254 459555565 /nfs/dbraw/zinc/55/55/65/459555565.db2.gz MHEHZUGXQIKNAK-RMLUDKJBSA-N 0 0 328.752 3.014 10 5 EGBERN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000592245342 459558957 /nfs/dbraw/zinc/55/89/57/459558957.db2.gz GXQUHMSXECMFHY-OLZOCXBDSA-N 0 0 332.404 3.092 10 5 EGBERN COc1cc(NCc2ncnn2C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596226020 459567003 /nfs/dbraw/zinc/56/70/03/459567003.db2.gz STOLNMWWQNNXQB-UHFFFAOYSA-N 0 0 325.756 3.041 10 5 EGBERN C/C(=C/c1nc(CC(=O)OC(C)(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000562474654 459568584 /nfs/dbraw/zinc/56/85/84/459568584.db2.gz KTGGBZJIDMONIV-LUAWRHEFSA-N 0 0 345.355 3.423 10 5 EGBERN COC(=O)c1c(Cl)c(NCCc2ccc(C)cn2)ccc1[N+](=O)[O-] ZINC000596260983 459578175 /nfs/dbraw/zinc/57/81/75/459578175.db2.gz NHGLANWFNVLYQK-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2C[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000596272325 459581178 /nfs/dbraw/zinc/58/11/78/459581178.db2.gz XPPMMUJAJVGSLT-GUBZILKMSA-N 0 0 342.779 3.260 10 5 EGBERN O=c1[nH]ccc(NCC[C@@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000596287409 459584952 /nfs/dbraw/zinc/58/49/52/459584952.db2.gz RVECGHXUCPXQQB-SNVBAGLBSA-N 0 0 333.369 3.051 10 5 EGBERN CCC[C@H](C)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596290601 459586884 /nfs/dbraw/zinc/58/68/84/459586884.db2.gz OOXNGTDPBRWWPA-ONGXEEELSA-N 0 0 344.795 3.244 10 5 EGBERN CCOc1cc(N(C)[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596312278 459591962 /nfs/dbraw/zinc/59/19/62/459591962.db2.gz JGKXHFTWUIKENI-MRXNPFEDSA-N 0 0 330.384 3.033 10 5 EGBERN CCOc1cc(CSC[C@@H](OC)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596391228 459619209 /nfs/dbraw/zinc/61/92/09/459619209.db2.gz VEWPLQHTQJVIQJ-CZUORRHYSA-N 0 0 341.429 3.278 10 5 EGBERN O=C(CCSCCO[C@H]1CC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000596403567 459625458 /nfs/dbraw/zinc/62/54/58/459625458.db2.gz JMMVQYQNPWNGIZ-LBPRGKRZSA-N 0 0 346.355 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000596446935 459639950 /nfs/dbraw/zinc/63/99/50/459639950.db2.gz ICFSQOLKSFIMCU-SNVBAGLBSA-N 0 0 326.221 3.450 10 5 EGBERN Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596469679 459647170 /nfs/dbraw/zinc/64/71/70/459647170.db2.gz OKQUNKZJAOBCHS-NXEZZACHSA-N 0 0 332.322 3.375 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000596495279 459656242 /nfs/dbraw/zinc/65/62/42/459656242.db2.gz SLHQJGXVOBKVOP-GJZGRUSLSA-N 0 0 347.415 3.232 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCCCO3)CC2)c1 ZINC000596496834 459657292 /nfs/dbraw/zinc/65/72/92/459657292.db2.gz HXYYOAHHKNVURA-QGZVFWFLSA-N 0 0 348.399 3.167 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596502250 459659000 /nfs/dbraw/zinc/65/90/00/459659000.db2.gz LOOWATCPTHFZNC-UHFFFAOYSA-N 0 0 337.383 3.178 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](C3CCC3)C2)s1 ZINC000596525090 459666162 /nfs/dbraw/zinc/66/61/62/459666162.db2.gz IQCLSYCUFATCIU-NSHDSACASA-N 0 0 344.458 3.076 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000592697393 459669846 /nfs/dbraw/zinc/66/98/46/459669846.db2.gz UZIIDDINOHMNEW-BJHJDKERSA-N 0 0 326.780 3.324 10 5 EGBERN CCOc1cc(NCC2(CC(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000596544348 459671164 /nfs/dbraw/zinc/67/11/64/459671164.db2.gz OZQRBQDXIVCHRF-UHFFFAOYSA-N 0 0 335.404 3.231 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000584184557 459677040 /nfs/dbraw/zinc/67/70/40/459677040.db2.gz NKXDIGCLSGJYLB-GOSISDBHSA-N 0 0 343.358 3.104 10 5 EGBERN C[C@@H](C(=O)NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000592723645 459677324 /nfs/dbraw/zinc/67/73/24/459677324.db2.gz ZJKUBSWCPWGLJG-VOMCLLRMSA-N 0 0 326.343 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3COC[C@H]3c3ccccc3)n2)o1 ZINC000596600793 459693606 /nfs/dbraw/zinc/69/36/06/459693606.db2.gz JVPHUACHRYXWOZ-NWDGAFQWSA-N 0 0 327.296 3.135 10 5 EGBERN C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1n1ccnc1 ZINC000563037609 459701586 /nfs/dbraw/zinc/70/15/86/459701586.db2.gz AVVKYFIMBCYLNZ-DYVFJYSZSA-N 0 0 341.415 3.153 10 5 EGBERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000584303381 459706239 /nfs/dbraw/zinc/70/62/39/459706239.db2.gz YRIBBYQQMFAHQD-HNNXBMFYSA-N 0 0 341.367 3.068 10 5 EGBERN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000592875592 459709577 /nfs/dbraw/zinc/70/95/77/459709577.db2.gz ZHUBFGVBIAZSSB-OLZOCXBDSA-N 0 0 331.416 3.465 10 5 EGBERN Cc1c(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000592940064 459721277 /nfs/dbraw/zinc/72/12/77/459721277.db2.gz LGTOVQULRRRVGU-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN Cc1c(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]c1C(C)C ZINC000592950315 459723037 /nfs/dbraw/zinc/72/30/37/459723037.db2.gz SESFLCHLJUIJLG-UHFFFAOYSA-N 0 0 344.371 3.351 10 5 EGBERN COc1ccc(F)cc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000501506878 459731288 /nfs/dbraw/zinc/73/12/88/459731288.db2.gz ZZRDDYPSRCKSJN-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2ncc(C)s2)c1 ZINC000593024183 459743456 /nfs/dbraw/zinc/74/34/56/459743456.db2.gz IQEAIYOEDLMPEG-UHFFFAOYSA-N 0 0 349.412 3.171 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2C(F)F)c1 ZINC000593028113 459745921 /nfs/dbraw/zinc/74/59/21/459745921.db2.gz CKUIPZDFQYNLGY-ZDUSSCGKSA-N 0 0 328.315 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593044330 459752867 /nfs/dbraw/zinc/75/28/67/459752867.db2.gz FCOVVXAJZPPNAL-UHFFFAOYSA-N 0 0 344.333 3.351 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000573997759 459767662 /nfs/dbraw/zinc/76/76/62/459767662.db2.gz KREBAEZJGCYMIQ-AWEZNQCLSA-N 0 0 345.330 3.168 10 5 EGBERN CC(C)(NC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000596826388 459772101 /nfs/dbraw/zinc/77/21/01/459772101.db2.gz ZWMVTVZAIUDEKL-CQSZACIVSA-N 0 0 327.331 3.174 10 5 EGBERN COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596830256 459773194 /nfs/dbraw/zinc/77/31/94/459773194.db2.gz CPTDDZSVSQHFNL-GFCCVEGCSA-N 0 0 349.387 3.169 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596913197 459794551 /nfs/dbraw/zinc/79/45/51/459794551.db2.gz SYKGQXUZYWPJMB-LBPRGKRZSA-N 0 0 333.388 3.333 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCC(C)(C)OC)c1 ZINC000593193172 459801910 /nfs/dbraw/zinc/80/19/10/459801910.db2.gz RGESISBLUPFCBJ-UHFFFAOYSA-N 0 0 327.402 3.430 10 5 EGBERN Cc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CCC1 ZINC000593195860 459803533 /nfs/dbraw/zinc/80/35/33/459803533.db2.gz CGQGZPZHBHYWAJ-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000596972405 459807283 /nfs/dbraw/zinc/80/72/83/459807283.db2.gz ZAEZDTLJCYULKY-YJBOKZPZSA-N 0 0 340.379 3.413 10 5 EGBERN Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000593220635 459811662 /nfs/dbraw/zinc/81/16/62/459811662.db2.gz GZPFWOGKSKMEGF-TZMCWYRMSA-N 0 0 348.399 3.238 10 5 EGBERN CC(C)c1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)on1 ZINC000584862403 459815089 /nfs/dbraw/zinc/81/50/89/459815089.db2.gz SVLBZYCCJTYZLU-UHFFFAOYSA-N 0 0 342.355 3.160 10 5 EGBERN CC(C)OCC(C)(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090419 459835527 /nfs/dbraw/zinc/83/55/27/459835527.db2.gz MRNBGNLZFMNJCU-UHFFFAOYSA-N 0 0 344.799 3.156 10 5 EGBERN CC1(C)CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597097656 459836541 /nfs/dbraw/zinc/83/65/41/459836541.db2.gz QHVUBWSNPIIVKA-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103886 459837164 /nfs/dbraw/zinc/83/71/64/459837164.db2.gz LUZFSVQFAYJBAK-WPRPVWTQSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597100475 459837286 /nfs/dbraw/zinc/83/72/86/459837286.db2.gz JDMHJQZNKGIUKI-DTWKUNHWSA-N 0 0 326.784 3.340 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000585752885 459840673 /nfs/dbraw/zinc/84/06/73/459840673.db2.gz YBRANDCLNLOHKC-RMRHIDDWSA-N 0 0 331.416 3.215 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@](C)(CC)C2CC2)cc([N+](=O)[O-])c1 ZINC000598251849 459840882 /nfs/dbraw/zinc/84/08/82/459840882.db2.gz WEEPIIIQBBWDJC-QGZVFWFLSA-N 0 0 334.372 3.080 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H](C)C2)c1 ZINC000593327540 459845658 /nfs/dbraw/zinc/84/56/58/459845658.db2.gz POSZLGXEKJHROF-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC1(C)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808257 459854150 /nfs/dbraw/zinc/85/41/50/459854150.db2.gz GOCVBXVBDRYYSO-UHFFFAOYSA-N 0 0 328.166 3.231 10 5 EGBERN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCc2ccc(F)cc21 ZINC000593354866 459860367 /nfs/dbraw/zinc/86/03/67/459860367.db2.gz VKKZDWDJBSCSAC-ZDUSSCGKSA-N 0 0 342.370 3.465 10 5 EGBERN COc1ccc(C(=O)NC2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000598317535 459862876 /nfs/dbraw/zinc/86/28/76/459862876.db2.gz JTSZWQYOFJOEHB-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN O=C(N[C@@H]1CC12CC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000574751366 459865842 /nfs/dbraw/zinc/86/58/42/459865842.db2.gz XCFKMCFQMVRUES-OAHLLOKOSA-N 0 0 340.329 3.242 10 5 EGBERN CC[C@H](NC(=O)N1C[C@@H](CC)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593370878 459869208 /nfs/dbraw/zinc/86/92/08/459869208.db2.gz OKNNFQYCJBLPSB-WQVCFCJDSA-N 0 0 335.404 3.255 10 5 EGBERN CC[C@@H](NC(=O)N(CC)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593369366 459869367 /nfs/dbraw/zinc/86/93/67/459869367.db2.gz BMIUTWWJAALQNN-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593373429 459870086 /nfs/dbraw/zinc/87/00/86/459870086.db2.gz RBZQPVKAGZFALQ-UKRRQHHQSA-N 0 0 335.404 3.175 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(F)(c2ccccn2)CC1 ZINC000574778004 459870943 /nfs/dbraw/zinc/87/09/43/459870943.db2.gz HLLXNLLLTMQIEI-UHFFFAOYSA-N 0 0 347.321 3.230 10 5 EGBERN Cc1nc([C@H]2CCOC2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000602232382 459873366 /nfs/dbraw/zinc/87/33/66/459873366.db2.gz GPEQLTLTKTYYCD-NSHDSACASA-N 0 0 347.396 3.140 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC000598365017 459880328 /nfs/dbraw/zinc/88/03/28/459880328.db2.gz BVSHFFBASUPOPF-WHXUTIOJSA-N 0 0 326.372 3.088 10 5 EGBERN CC(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(C1CC1)C1CC1 ZINC000598380838 459884311 /nfs/dbraw/zinc/88/43/11/459884311.db2.gz HPJNRISIPIXFIO-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN CC(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)(C1CC1)C1CC1 ZINC000598380363 459884416 /nfs/dbraw/zinc/88/44/16/459884416.db2.gz DWLCVVKQWQLVKB-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000598398649 459889083 /nfs/dbraw/zinc/88/90/83/459889083.db2.gz GMZUBACVSPKYTA-UHFFFAOYSA-N 0 0 335.747 3.256 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCc1nnc2n1CCCCC2 ZINC000593454301 459893577 /nfs/dbraw/zinc/89/35/77/459893577.db2.gz HZZYKUIFIFSAOO-UHFFFAOYSA-N 0 0 338.371 3.073 10 5 EGBERN CCC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1ccccn1 ZINC000587877846 459895275 /nfs/dbraw/zinc/89/52/75/459895275.db2.gz KDSMWFSYYDRHCS-AWEZNQCLSA-N 0 0 344.371 3.433 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462399 459896087 /nfs/dbraw/zinc/89/60/87/459896087.db2.gz VWPJYNNZYJNFHW-STQMWFEESA-N 0 0 342.399 3.202 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979593 459896983 /nfs/dbraw/zinc/89/69/83/459896983.db2.gz PBROSBKCNXEBFW-TZMCWYRMSA-N 0 0 327.384 3.052 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608973886 459897569 /nfs/dbraw/zinc/89/75/69/459897569.db2.gz UOHCNCKKXAQTAQ-YPMHNXCESA-N 0 0 334.173 3.142 10 5 EGBERN Nc1cc(N[C@H]2CCC[C@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587982209 459898126 /nfs/dbraw/zinc/89/81/26/459898126.db2.gz URLCXHWXZVSNLM-KSSFIOAISA-N 0 0 341.411 3.493 10 5 EGBERN Cc1ccccc1[C@H]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982121 459898271 /nfs/dbraw/zinc/89/82/71/459898271.db2.gz BMGHHYXAPHTTNV-KGLIPLIRSA-N 0 0 341.411 3.360 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCOC1(C)C ZINC000598455167 459902337 /nfs/dbraw/zinc/90/23/37/459902337.db2.gz PZLVWVMUNXWKHD-NSHDSACASA-N 0 0 338.429 3.252 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000588014673 459902414 /nfs/dbraw/zinc/90/24/14/459902414.db2.gz CBFOFRRFLRTOEH-DIFFPNOSSA-N 0 0 333.388 3.101 10 5 EGBERN Nc1cc(N[C@@H]2CCCOc3cc(F)ccc32)cc(CO)c1[N+](=O)[O-] ZINC000588012757 459903116 /nfs/dbraw/zinc/90/31/16/459903116.db2.gz DSACSYUICTXZEI-OAHLLOKOSA-N 0 0 347.346 3.134 10 5 EGBERN O=C(Cc1cc(C2CC2)no1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000597281658 459903379 /nfs/dbraw/zinc/90/33/79/459903379.db2.gz JRHQKCVOXFSOQE-UHFFFAOYSA-N 0 0 343.383 3.142 10 5 EGBERN CC[C@H]1Cc2ccccc2CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588018904 459903375 /nfs/dbraw/zinc/90/33/75/459903375.db2.gz HBDYENAPLSRSNM-HNNXBMFYSA-N 0 0 327.384 3.011 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@]2(CO)CCc3ccccc32)c2ncccc12 ZINC000593485302 459903609 /nfs/dbraw/zinc/90/36/09/459903609.db2.gz WCSDHZWYUDNPCI-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN CCc1nn(C)c(NCCO[C@H](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000593487674 459904004 /nfs/dbraw/zinc/90/40/04/459904004.db2.gz AEVZBVIHORGQED-OAHLLOKOSA-N 0 0 332.404 3.471 10 5 EGBERN CC[C@H](OCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000593489663 459905576 /nfs/dbraw/zinc/90/55/76/459905576.db2.gz WFHBOJNWSVEKNB-KRWDZBQOSA-N 0 0 345.399 3.249 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609128348 459906563 /nfs/dbraw/zinc/90/65/63/459906563.db2.gz YCJGIIRUDZWJOY-AAEUAGOBSA-N 0 0 334.372 3.268 10 5 EGBERN C[C@@H]1c2ccccc2OCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000609145475 459912517 /nfs/dbraw/zinc/91/25/17/459912517.db2.gz FOSDEXJEBDXPHF-CQSZACIVSA-N 0 0 328.368 3.429 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593516804 459912820 /nfs/dbraw/zinc/91/28/20/459912820.db2.gz HCMHOKUKIFVCQK-NSHDSACASA-N 0 0 332.379 3.425 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598497575 459919415 /nfs/dbraw/zinc/91/94/15/459919415.db2.gz QGYYHVOTIUADCH-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598507758 459926036 /nfs/dbraw/zinc/92/60/36/459926036.db2.gz NXAAWGYDSBOCOY-GWCFXTLKSA-N 0 0 346.305 3.085 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H]1C ZINC000575126290 459932020 /nfs/dbraw/zinc/93/20/20/459932020.db2.gz XRNFWFGSWFQRCR-BFHYXJOUSA-N 0 0 348.399 3.096 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598539937 459933006 /nfs/dbraw/zinc/93/30/06/459933006.db2.gz MUGKNPRSAFSPAD-NVGCLXPQSA-N 0 0 346.358 3.076 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593618854 459934474 /nfs/dbraw/zinc/93/44/74/459934474.db2.gz WQISNLKQBHQDPA-UHFFFAOYSA-N 0 0 344.820 3.264 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@](C)(C(F)F)O1 ZINC000598567153 459940050 /nfs/dbraw/zinc/94/00/50/459940050.db2.gz BASFRXQUBLGRQT-RMLUDKJBSA-N 0 0 348.733 3.133 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C[C@H]1C ZINC000597409155 459943033 /nfs/dbraw/zinc/94/30/33/459943033.db2.gz RFNBRXGZSPAUQH-CHWSQXEVSA-N 0 0 341.415 3.356 10 5 EGBERN CO[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 ZINC000597411162 459944351 /nfs/dbraw/zinc/94/43/51/459944351.db2.gz UQBDSPJMRUHWIM-QGZVFWFLSA-N 0 0 332.400 3.291 10 5 EGBERN O=C(c1onc2c1CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597411412 459945278 /nfs/dbraw/zinc/94/52/78/459945278.db2.gz XTNFAOPBADFSLL-UHFFFAOYSA-N 0 0 341.367 3.266 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598576361 459947400 /nfs/dbraw/zinc/94/74/00/459947400.db2.gz LAOICVAJKBALOC-LBPRGKRZSA-N 0 0 326.352 3.411 10 5 EGBERN COC(=O)c1ccnc(NC[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000598628031 459968337 /nfs/dbraw/zinc/96/83/37/459968337.db2.gz KMQBQYLESDRILK-SNVBAGLBSA-N 0 0 345.380 3.078 10 5 EGBERN O=C(c1cc(NCC[C@@H]2CC2(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000598636052 459971375 /nfs/dbraw/zinc/97/13/75/459971375.db2.gz FESPSCIDWCZNHA-LLVKDONJSA-N 0 0 339.342 3.288 10 5 EGBERN CCCCCc1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000597492469 459973478 /nfs/dbraw/zinc/97/34/78/459973478.db2.gz RNALZRFIPRLSLP-UHFFFAOYSA-N 0 0 332.360 3.312 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC1(F)F ZINC000598655564 459980824 /nfs/dbraw/zinc/98/08/24/459980824.db2.gz WBIQANWIXKFCQJ-SNVBAGLBSA-N 0 0 347.749 3.135 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598656284 459981573 /nfs/dbraw/zinc/98/15/73/459981573.db2.gz GLEOVQXMLIEZNQ-WCQYABFASA-N 0 0 327.331 3.390 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000588784407 459982307 /nfs/dbraw/zinc/98/23/07/459982307.db2.gz JRIMEEHJPPIKMZ-SNVBAGLBSA-N 0 0 349.131 3.275 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597549073 459993002 /nfs/dbraw/zinc/99/30/02/459993002.db2.gz OPWMPBLCRXCBGP-UHFFFAOYSA-N 0 0 346.305 3.163 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000593856474 460004220 /nfs/dbraw/zinc/00/42/20/460004220.db2.gz YBOOSNZXZUMDHW-GFCCVEGCSA-N 0 0 342.399 3.243 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588925316 460006230 /nfs/dbraw/zinc/00/62/30/460006230.db2.gz ABVYQVKQDHQDGB-YPMLDQLKSA-N 0 0 346.333 3.465 10 5 EGBERN Cn1cc(CN[C@@H]2CCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588930166 460007884 /nfs/dbraw/zinc/00/78/84/460007884.db2.gz NFXUXMBFTZATLZ-CQSZACIVSA-N 0 0 336.342 3.273 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)Cc2cncc(O)c2)cc1[N+](=O)[O-] ZINC000597632901 460012733 /nfs/dbraw/zinc/01/27/33/460012733.db2.gz VDTKJHXOTVZVPQ-UHFFFAOYSA-N 0 0 329.356 3.174 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000618468285 460019631 /nfs/dbraw/zinc/01/96/31/460019631.db2.gz KDYVBHAEHQPTDQ-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN O=C(Nc1c(O)cccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609851120 460028652 /nfs/dbraw/zinc/02/86/52/460028652.db2.gz CTQXJUAOSMPTEY-UHFFFAOYSA-N 0 0 331.303 3.266 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598776374 460029753 /nfs/dbraw/zinc/02/97/53/460029753.db2.gz GBHXBZZFHATBFB-ZETCQYMHSA-N 0 0 338.232 3.389 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597726591 460040991 /nfs/dbraw/zinc/04/09/91/460040991.db2.gz GBBDHTOIQFJRTR-LBPRGKRZSA-N 0 0 332.385 3.017 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000610051253 460054215 /nfs/dbraw/zinc/05/42/15/460054215.db2.gz DQUTUEPGLVEYGD-LBPRGKRZSA-N 0 0 330.388 3.017 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000598828847 460055178 /nfs/dbraw/zinc/05/51/78/460055178.db2.gz RUOHDEHAMQFIRY-SCZZXKLOSA-N 0 0 332.278 3.367 10 5 EGBERN CCNc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598865215 460075074 /nfs/dbraw/zinc/07/50/74/460075074.db2.gz AFOUPTKHJGFOJO-CQSZACIVSA-N 0 0 327.331 3.192 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](Oc4cccc(F)c4)C3)nc2c1 ZINC000618585729 460075365 /nfs/dbraw/zinc/07/53/65/460075365.db2.gz CFSFONFGWPMNRR-AWEZNQCLSA-N 0 0 342.330 3.268 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598880680 460081949 /nfs/dbraw/zinc/08/19/49/460081949.db2.gz KKVISGMOEMHMJL-AWEZNQCLSA-N 0 0 342.399 3.420 10 5 EGBERN O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610203903 460082483 /nfs/dbraw/zinc/08/24/83/460082483.db2.gz UJZKQKXONHUISW-UGSOOPFHSA-N 0 0 335.363 3.437 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000598894117 460088178 /nfs/dbraw/zinc/08/81/78/460088178.db2.gz SLNGXULHUQYCAK-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594075076 460088604 /nfs/dbraw/zinc/08/86/04/460088604.db2.gz YVVMSQFIXYFTGM-DLBZAZTESA-N 0 0 348.399 3.071 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H]2CCCC23CCCCC3)c(C)c1[N+](=O)[O-] ZINC000597874258 460091446 /nfs/dbraw/zinc/09/14/46/460091446.db2.gz NFDXTCLNAIMZHW-OAHLLOKOSA-N 0 0 348.447 3.417 10 5 EGBERN Cc1cc(C)c(C(=O)NC2CCN(c3ccc([N+](=O)[O-])s3)CC2)o1 ZINC000598913102 460092320 /nfs/dbraw/zinc/09/23/20/460092320.db2.gz DGRDAPLORJWWBC-UHFFFAOYSA-N 0 0 349.412 3.265 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1 ZINC000610244638 460095111 /nfs/dbraw/zinc/09/51/11/460095111.db2.gz ZXMRLSBFBDORHG-JTQLQIEISA-N 0 0 333.369 3.118 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000598939421 460096292 /nfs/dbraw/zinc/09/62/92/460096292.db2.gz HNLLJCUAUHKJTN-SCLBCKFNSA-N 0 0 339.395 3.267 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3[C@@H]2C)c1 ZINC000589502310 460097700 /nfs/dbraw/zinc/09/77/00/460097700.db2.gz OBTOPFUFOBJMTC-LBPRGKRZSA-N 0 0 326.352 3.458 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000598949797 460099346 /nfs/dbraw/zinc/09/93/46/460099346.db2.gz DEFXFCYUJCOEOH-HNNXBMFYSA-N 0 0 325.368 3.012 10 5 EGBERN Cn1ccnc1C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272857 460101151 /nfs/dbraw/zinc/10/11/51/460101151.db2.gz VAEAKMIMIWFUJA-OAHLLOKOSA-N 0 0 342.424 3.463 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000597919534 460110864 /nfs/dbraw/zinc/11/08/64/460110864.db2.gz MTOLYSYGWQRLKX-ZDUSSCGKSA-N 0 0 330.359 3.332 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1 ZINC000597922473 460112932 /nfs/dbraw/zinc/11/29/32/460112932.db2.gz ZVBBWYQNZYHDNP-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000597923261 460113957 /nfs/dbraw/zinc/11/39/57/460113957.db2.gz PQBJLOHJNVGFDX-UHFFFAOYSA-N 0 0 343.383 3.396 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000597924720 460114480 /nfs/dbraw/zinc/11/44/80/460114480.db2.gz HWUMVXDAIWYEMG-UHFFFAOYSA-N 0 0 332.331 3.276 10 5 EGBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CO1 ZINC000597935401 460117686 /nfs/dbraw/zinc/11/76/86/460117686.db2.gz USLFNXILJXTESQ-AWEZNQCLSA-N 0 0 343.383 3.133 10 5 EGBERN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCc2ccccc21 ZINC000597946724 460123070 /nfs/dbraw/zinc/12/30/70/460123070.db2.gz CDBNNBBJINDTRT-UHFFFAOYSA-N 0 0 339.395 3.153 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599000566 460123610 /nfs/dbraw/zinc/12/36/10/460123610.db2.gz MWUSOFMFQURVHA-KGLIPLIRSA-N 0 0 335.404 3.080 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000610367115 460135998 /nfs/dbraw/zinc/13/59/98/460135998.db2.gz GDHNGDNZKVRJHQ-AWEZNQCLSA-N 0 0 333.432 3.236 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000589808709 460141425 /nfs/dbraw/zinc/14/14/25/460141425.db2.gz ZKCZDQKWVDEWIW-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594203371 460149953 /nfs/dbraw/zinc/14/99/53/460149953.db2.gz LLPZETSHIVPBJS-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN CCn1nnc(C)c1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599089933 460157954 /nfs/dbraw/zinc/15/79/54/460157954.db2.gz QEXNYBSIPVXMFA-UHFFFAOYSA-N 0 0 329.282 3.146 10 5 EGBERN COc1cc(NC[C@H](n2cccn2)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000599115865 460164722 /nfs/dbraw/zinc/16/47/22/460164722.db2.gz GTAMAOWSAHZPEV-LBPRGKRZSA-N 0 0 348.256 3.155 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](n2cccn2)C(F)(F)F)n1 ZINC000599119489 460166284 /nfs/dbraw/zinc/16/62/84/460166284.db2.gz ZFCZPZUNHWFPGM-JTQLQIEISA-N 0 0 329.282 3.019 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CCCN1CC(F)F ZINC000599133977 460170698 /nfs/dbraw/zinc/17/06/98/460170698.db2.gz OLLLUWDWJVILEB-GFCCVEGCSA-N 0 0 336.342 3.284 10 5 EGBERN CC[C@@H](NC(=O)N(CC)C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610530663 460177270 /nfs/dbraw/zinc/17/72/70/460177270.db2.gz RNOKMOJJCSKDEZ-XJKSGUPXSA-N 0 0 335.404 3.114 10 5 EGBERN Cc1nn(C)c(N2CCc3c(cccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000599157673 460180772 /nfs/dbraw/zinc/18/07/72/460180772.db2.gz BZYPRVHKMQSSKF-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN CS(=O)(=O)c1ccc(N[C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000599162871 460181792 /nfs/dbraw/zinc/18/17/92/460181792.db2.gz AURXEUQBQZVCOE-WCQYABFASA-N 0 0 338.410 3.028 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599164314 460183473 /nfs/dbraw/zinc/18/34/73/460183473.db2.gz LLVYEUHYCIKWPQ-LHGDVCQASA-N 0 0 342.779 3.259 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599173015 460186612 /nfs/dbraw/zinc/18/66/12/460186612.db2.gz JSSDRNQAZYKUNV-JQLIAFOBSA-N 0 0 348.346 3.103 10 5 EGBERN C[C@@H]1C[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000599189526 460193894 /nfs/dbraw/zinc/19/38/94/460193894.db2.gz GTAFLFQWZYFQGB-CHWSQXEVSA-N 0 0 345.374 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598198848 460201316 /nfs/dbraw/zinc/20/13/16/460201316.db2.gz DBXSOHADASTPSI-SAZUREKKSA-N 0 0 326.352 3.243 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594395772 460204236 /nfs/dbraw/zinc/20/42/36/460204236.db2.gz HSVPLWPYLQVECV-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN COc1ccnc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1F ZINC000598219513 460210292 /nfs/dbraw/zinc/21/02/92/460210292.db2.gz KZRDSZXNOBSQLX-UHFFFAOYSA-N 0 0 347.346 3.191 10 5 EGBERN COc1cc(NCCN2Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000610715193 460224099 /nfs/dbraw/zinc/22/40/99/460224099.db2.gz DWNYWEFKZKMHHQ-UHFFFAOYSA-N 0 0 331.347 3.170 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000610732469 460227620 /nfs/dbraw/zinc/22/76/20/460227620.db2.gz DKYPJHQMLLGKLA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)cc1C ZINC000599507258 460264395 /nfs/dbraw/zinc/26/43/95/460264395.db2.gz UXKJZCSKEDCHJA-BBRMVZONSA-N 0 0 338.429 3.165 10 5 EGBERN CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000599598450 460284765 /nfs/dbraw/zinc/28/47/65/460284765.db2.gz MHXDTOYDXOINSY-UHFFFAOYSA-N 0 0 326.343 3.469 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000599599241 460286032 /nfs/dbraw/zinc/28/60/32/460286032.db2.gz YKBPPWBHCDAEOV-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000599645012 460297111 /nfs/dbraw/zinc/29/71/11/460297111.db2.gz ZEMNHNYDTXTLQD-GOSISDBHSA-N 0 0 328.368 3.081 10 5 EGBERN CCN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000603475871 460310059 /nfs/dbraw/zinc/31/00/59/460310059.db2.gz SCPXZUVAXSUXBN-ZDUSSCGKSA-N 0 0 331.416 3.456 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599696555 460314473 /nfs/dbraw/zinc/31/44/73/460314473.db2.gz PAINCTYEVXMNAK-JGPRNRPPSA-N 0 0 342.342 3.035 10 5 EGBERN CSc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccn1 ZINC000611238500 460314948 /nfs/dbraw/zinc/31/49/48/460314948.db2.gz XKTSVYKYKONMNL-UHFFFAOYSA-N 0 0 335.410 3.443 10 5 EGBERN CCCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000603528812 460317672 /nfs/dbraw/zinc/31/76/72/460317672.db2.gz RAXIEZMHGBJLKS-UHFFFAOYSA-N 0 0 331.347 3.490 10 5 EGBERN CCCCOCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830673 460343003 /nfs/dbraw/zinc/34/30/03/460343003.db2.gz WLFLNRJCTGMTGL-UHFFFAOYSA-N 0 0 332.360 3.081 10 5 EGBERN CN(C[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830591 460343034 /nfs/dbraw/zinc/34/30/34/460343034.db2.gz UUHCNRCRVOVWLI-GFCCVEGCSA-N 0 0 344.371 3.033 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835000 460344811 /nfs/dbraw/zinc/34/48/11/460344811.db2.gz RLBIQHKEBMQNQC-GFCCVEGCSA-N 0 0 344.371 3.081 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1F ZINC000599833864 460344961 /nfs/dbraw/zinc/34/49/61/460344961.db2.gz ZECBQYNZCWPSHO-GXFFZTMASA-N 0 0 332.335 3.355 10 5 EGBERN COc1c(C(=O)NC2(C)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000619442607 460357639 /nfs/dbraw/zinc/35/76/39/460357639.db2.gz WOLRTFHUUASQKK-UHFFFAOYSA-N 0 0 328.315 3.301 10 5 EGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC(F)(F)CC1 ZINC000619457268 460361242 /nfs/dbraw/zinc/36/12/42/460361242.db2.gz VGKSIBSLCKNETC-UHFFFAOYSA-N 0 0 338.232 3.485 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1C1CCOCC1 ZINC000611479949 460373430 /nfs/dbraw/zinc/37/34/30/460373430.db2.gz MAAQIKZGZWIUPM-QGZVFWFLSA-N 0 0 343.383 3.107 10 5 EGBERN C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611505550 460380815 /nfs/dbraw/zinc/38/08/15/460380815.db2.gz CQEBYUKPIPKEKT-PWSUYJOCSA-N 0 0 344.770 3.224 10 5 EGBERN C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](c2ccco2)C1 ZINC000611525713 460388808 /nfs/dbraw/zinc/38/88/08/460388808.db2.gz DZNOJVRYVBGFEE-XHDPSFHLSA-N 0 0 331.372 3.240 10 5 EGBERN C[C@@H]1[C@H](Nc2ccsc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590163 460391870 /nfs/dbraw/zinc/39/18/70/460391870.db2.gz DRUSMGIEHSKIIH-BXUZGUMPSA-N 0 0 331.397 3.258 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000604228371 460393751 /nfs/dbraw/zinc/39/37/51/460393751.db2.gz JHOTWGKPWZKFMG-SNVBAGLBSA-N 0 0 347.346 3.206 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 ZINC000619652352 460403414 /nfs/dbraw/zinc/40/34/14/460403414.db2.gz YZWIVURMWNKISI-CABCVRRESA-N 0 0 331.347 3.058 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000600145930 460404561 /nfs/dbraw/zinc/40/45/61/460404561.db2.gz CZVXGMUXCITAIA-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000600146257 460405096 /nfs/dbraw/zinc/40/50/96/460405096.db2.gz GVITWNVWQGZXAR-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619871730 460458936 /nfs/dbraw/zinc/45/89/36/460458936.db2.gz VNXMODFAVOIDFP-FZMZJTMJSA-N 0 0 331.759 3.177 10 5 EGBERN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1F ZINC000600272070 460462691 /nfs/dbraw/zinc/46/26/91/460462691.db2.gz PWEXZTZWQBVTHH-RTXFEEFZSA-N 0 0 338.404 3.334 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000600278446 460463449 /nfs/dbraw/zinc/46/34/49/460463449.db2.gz GYUIRLRZNXKBRH-PWSUYJOCSA-N 0 0 338.454 3.427 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccccn2)C2CCC2)c1[N+](=O)[O-] ZINC000600300461 460466592 /nfs/dbraw/zinc/46/65/92/460466592.db2.gz DHMSUFCVNCSRBQ-AWEZNQCLSA-N 0 0 343.387 3.108 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600396725 460489185 /nfs/dbraw/zinc/48/91/85/460489185.db2.gz ZYJJARQYAJENPI-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600441946 460495551 /nfs/dbraw/zinc/49/55/51/460495551.db2.gz CPBHCSMLBNXWCR-NMSKTSORSA-N 0 0 346.305 3.155 10 5 EGBERN CC1(C(=O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000600486178 460504544 /nfs/dbraw/zinc/50/45/44/460504544.db2.gz IFBODALHTNAUMG-UHFFFAOYSA-N 0 0 338.791 3.056 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H](CCF)C1 ZINC000600491052 460505117 /nfs/dbraw/zinc/50/51/17/460505117.db2.gz YTDULBQKHMXGRP-GFCCVEGCSA-N 0 0 338.360 3.010 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1Cc2cccc(OC)c2C1 ZINC000600514069 460509579 /nfs/dbraw/zinc/50/95/79/460509579.db2.gz DMGCIBVZFJCVGV-UHFFFAOYSA-N 0 0 342.351 3.158 10 5 EGBERN COC(=O)[C@](C)(NC(=O)CC1(C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600539027 460515867 /nfs/dbraw/zinc/51/58/67/460515867.db2.gz WPZIROIZEUIAJP-GOSISDBHSA-N 0 0 348.399 3.070 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](CC(F)(F)F)C1 ZINC000601154305 460735150 /nfs/dbraw/zinc/73/51/50/460735150.db2.gz GIAGWWADVCCQFS-ZCFIWIBFSA-N 0 0 346.231 3.126 10 5 EGBERN COCC1(C2CC2)CN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000601226219 460756844 /nfs/dbraw/zinc/75/68/44/460756844.db2.gz MLGPPDHEWQJBKZ-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN COc1ccc(CN(c2ncccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC000601226273 460756934 /nfs/dbraw/zinc/75/69/34/460756934.db2.gz DQUXLAUNSUITBO-AWEZNQCLSA-N 0 0 345.399 3.166 10 5 EGBERN Cc1cccc(N2CCc3nnn(C4CC(C)C4)c3C2)c1[N+](=O)[O-] ZINC000601231451 460758242 /nfs/dbraw/zinc/75/82/42/460758242.db2.gz FGWXMLHWAMZUQA-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN C[C@@H](CC1CCC1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000601245175 460763215 /nfs/dbraw/zinc/76/32/15/460763215.db2.gz DITKGUNTSNSCET-ZDUSSCGKSA-N 0 0 347.415 3.058 10 5 EGBERN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c(C)n1 ZINC000601315584 460786719 /nfs/dbraw/zinc/78/67/19/460786719.db2.gz BBGNAAYWAZIIFH-UHFFFAOYSA-N 0 0 341.367 3.367 10 5 EGBERN O=C1COc2cccc(N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2N1 ZINC000601320625 460787649 /nfs/dbraw/zinc/78/76/49/460787649.db2.gz HMCZBUZKCQFDBP-CQSZACIVSA-N 0 0 339.351 3.415 10 5 EGBERN Cc1cnccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601471528 460818404 /nfs/dbraw/zinc/81/84/04/460818404.db2.gz CTZIHCYCNIENLJ-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC2CC2)c2ccccc2)n1 ZINC000617378691 460837462 /nfs/dbraw/zinc/83/74/62/460837462.db2.gz ZKPCUFDBSQHCOT-CQSZACIVSA-N 0 0 328.372 3.082 10 5 EGBERN CC1(C)C[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601624132 460850531 /nfs/dbraw/zinc/85/05/31/460850531.db2.gz KGISJHCWPDABSZ-CQSZACIVSA-N 0 0 346.427 3.338 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1ccncc1 ZINC000613185483 460856315 /nfs/dbraw/zinc/85/63/15/460856315.db2.gz IXFJUOMBYLHHRP-ZBFHGGJFSA-N 0 0 341.411 3.478 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601659817 460859758 /nfs/dbraw/zinc/85/97/58/460859758.db2.gz OBHRWFLNCUAKQN-PBHICJAKSA-N 0 0 339.395 3.500 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC2CC2)c2cccc(F)c2)n1 ZINC000601704024 460877091 /nfs/dbraw/zinc/87/70/91/460877091.db2.gz ZVFYVNPKWARWMZ-UHFFFAOYSA-N 0 0 332.335 3.007 10 5 EGBERN COc1ccc(CC(=O)NCc2csc(C)c2C)cc1[N+](=O)[O-] ZINC000601743696 460888636 /nfs/dbraw/zinc/88/86/36/460888636.db2.gz CVGLATCEWIZXNK-UHFFFAOYSA-N 0 0 334.397 3.141 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000601824112 460912603 /nfs/dbraw/zinc/91/26/03/460912603.db2.gz OHYQEKGXBJBAQF-LLVKDONJSA-N 0 0 348.733 3.053 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](O)C(F)(F)C1 ZINC000617814720 460983680 /nfs/dbraw/zinc/98/36/80/460983680.db2.gz JAVJUDPXDXFEGD-MRXNPFEDSA-N 0 0 342.345 3.230 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000171352509 534182639 /nfs/dbraw/zinc/18/26/39/534182639.db2.gz ITPSSRHPOIXMLT-CYBMUJFWSA-N 0 0 346.412 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[S@@](=O)c1ccc(F)c(F)c1 ZINC000108031667 525463849 /nfs/dbraw/zinc/46/38/49/525463849.db2.gz GQLFVXFWRINZDE-QFIPXVFZSA-N 0 0 327.308 3.189 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000132475505 528129220 /nfs/dbraw/zinc/12/92/20/528129220.db2.gz LLJFHELDVXSTMW-KBPBESRZSA-N 0 0 338.429 3.384 10 5 EGBERN CC[C@@H](SC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182286290 529252807 /nfs/dbraw/zinc/25/28/07/529252807.db2.gz CTXKQZKUGKWGBR-SNVBAGLBSA-N 0 0 333.207 3.437 10 5 EGBERN CC[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000351734526 536152463 /nfs/dbraw/zinc/15/24/63/536152463.db2.gz JNSBOMIGZXHHFY-JTQLQIEISA-N 0 0 349.328 3.034 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000120618238 537699413 /nfs/dbraw/zinc/69/94/13/537699413.db2.gz RUNLHTHNTMQDQY-ZDUSSCGKSA-N 0 0 344.415 3.176 10 5 EGBERN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C(N)=O)cs1 ZINC000081003386 546602906 /nfs/dbraw/zinc/60/29/06/546602906.db2.gz FOQLVWRXSNBJED-SECBINFHSA-N 0 0 334.401 3.447 10 5 EGBERN CC(C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(F)F ZINC000684339723 550317120 /nfs/dbraw/zinc/31/71/20/550317120.db2.gz DWXPVCMDAAELQL-UHFFFAOYSA-N 0 0 344.361 3.315 10 5 EGBERN CC[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000726011065 574523389 /nfs/dbraw/zinc/52/33/89/574523389.db2.gz PHZSDGSUANQGLA-AWEZNQCLSA-N 0 0 348.355 3.445 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000728201654 574729113 /nfs/dbraw/zinc/72/91/13/574729113.db2.gz LRNYIILSIGPQRQ-CYBMUJFWSA-N 0 0 325.368 3.293 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728503211 574755368 /nfs/dbraw/zinc/75/53/68/574755368.db2.gz RYFJBVXDDXVLAJ-HOTGVXAUSA-N 0 0 344.415 3.276 10 5 EGBERN COCc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000729113028 574815487 /nfs/dbraw/zinc/81/54/87/574815487.db2.gz IXDVMQNZCALDQG-UHFFFAOYSA-N 0 0 349.339 3.478 10 5 EGBERN CC[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)c1ccccc1 ZINC000738599527 574852272 /nfs/dbraw/zinc/85/22/72/574852272.db2.gz XRVASWNWUGJHEH-HNNXBMFYSA-N 0 0 328.324 3.117 10 5 EGBERN Cc1c(COC(=O)c2ccc(-c3ncon3)cc2)cccc1[N+](=O)[O-] ZINC000730629125 575006444 /nfs/dbraw/zinc/00/64/44/575006444.db2.gz MLQZAPWBVHVIIW-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN C[C@@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000730922864 575036046 /nfs/dbraw/zinc/03/60/46/575036046.db2.gz MOKIXBQDEJAEGS-LLVKDONJSA-N 0 0 338.360 3.066 10 5 EGBERN Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC000732575516 575276694 /nfs/dbraw/zinc/27/66/94/575276694.db2.gz GMHSQDDPPYGJLU-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CC(C)c1cnc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000733441309 575345265 /nfs/dbraw/zinc/34/52/65/575345265.db2.gz HHCHOUAGDJUIOC-UHFFFAOYSA-N 0 0 334.328 3.219 10 5 EGBERN CN(C)c1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000733574441 575365861 /nfs/dbraw/zinc/36/58/61/575365861.db2.gz XZIBWWDJJPSFAL-UHFFFAOYSA-N 0 0 341.776 3.128 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734003087 575421288 /nfs/dbraw/zinc/42/12/88/575421288.db2.gz BQECKIHSQKVBCC-SNVBAGLBSA-N 0 0 332.809 3.201 10 5 EGBERN O=C(/C=C/C1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736165259 575906034 /nfs/dbraw/zinc/90/60/34/575906034.db2.gz BECHBORQBLAHIY-PPYMECGQSA-N 0 0 344.415 3.139 10 5 EGBERN CSc1ccc(C(=O)OCCC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000756071809 576027990 /nfs/dbraw/zinc/02/79/90/576027990.db2.gz HDEUVOMHCOIEBI-LBPRGKRZSA-N 0 0 325.386 3.433 10 5 EGBERN CC(C)C[C@@H]1CC(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1 ZINC000744430743 576827941 /nfs/dbraw/zinc/82/79/41/576827941.db2.gz IPILMJGTMZGLFJ-UONOGXRCSA-N 0 0 331.416 3.198 10 5 EGBERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895939870 1309602194 /nfs/dbraw/zinc/60/21/94/1309602194.db2.gz BLDGTCJUWHCZCP-LBPRGKRZSA-N 0 0 344.392 3.108 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCCCc1cccnc1 ZINC000117568340 1293222422 /nfs/dbraw/zinc/22/24/22/1293222422.db2.gz VVMBOBOKDKCIRM-UHFFFAOYSA-N 0 0 334.759 3.362 10 5 EGBERN COc1cccc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1OC ZINC000157468202 1294179037 /nfs/dbraw/zinc/17/90/37/1294179037.db2.gz XHWZUBFKZKKJFV-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN C[C@]1(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000177257877 1294661667 /nfs/dbraw/zinc/66/16/67/1294661667.db2.gz WSFDMQZEDFKGCI-MRXNPFEDSA-N 0 0 348.380 3.444 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@]2(CC(C)C)CCNC2=O)cc1[N+](=O)[O-] ZINC000870234330 1295752816 /nfs/dbraw/zinc/75/28/16/1295752816.db2.gz ZBGAPOAZJGPNHI-UGSOOPFHSA-N 0 0 348.399 3.060 10 5 EGBERN Cc1scc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000870295605 1295796184 /nfs/dbraw/zinc/79/61/84/1295796184.db2.gz QHFFFRMATRYICK-UHFFFAOYSA-N 0 0 338.360 3.107 10 5 EGBERN COc1ncccc1CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000870780014 1296072023 /nfs/dbraw/zinc/07/20/23/1296072023.db2.gz VRBUEGXUEJLIAY-LLVKDONJSA-N 0 0 348.330 3.027 10 5 EGBERN C[C@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000870829399 1296105834 /nfs/dbraw/zinc/10/58/34/1296105834.db2.gz KQRQNYFIQROXMH-OLQXHTCTSA-N 0 0 347.346 3.371 10 5 EGBERN C/C(=C\c1ccc(C)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827716 1296106411 /nfs/dbraw/zinc/10/64/11/1296106411.db2.gz FHRVLASMDHPSRG-NTUHNPAUSA-N 0 0 341.367 3.450 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000870828034 1296106645 /nfs/dbraw/zinc/10/66/45/1296106645.db2.gz JWCUSQXDSZLOES-GDVJOBBMSA-N 0 0 333.388 3.254 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000870830438 1296107642 /nfs/dbraw/zinc/10/76/42/1296107642.db2.gz BWATZTXWFVJFGT-NTWUZPHHSA-N 0 0 333.388 3.254 10 5 EGBERN CCn1ccnc1/C=C\C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222250082 1296130061 /nfs/dbraw/zinc/13/00/61/1296130061.db2.gz YTIZGGFWTFKZGX-MEJMFZKBSA-N 0 0 329.356 3.437 10 5 EGBERN Cc1cc2c(CCNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH]c2cc1F ZINC000871160356 1296249878 /nfs/dbraw/zinc/24/98/78/1296249878.db2.gz RYXWVGORMLMKRC-UHFFFAOYSA-N 0 0 335.379 3.110 10 5 EGBERN CC(C)(NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000871162571 1296251204 /nfs/dbraw/zinc/25/12/04/1296251204.db2.gz GOJIICFNMKXSJZ-AWEZNQCLSA-N 0 0 338.429 3.151 10 5 EGBERN C[C@@H](C(=O)NC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000871168859 1296256864 /nfs/dbraw/zinc/25/68/64/1296256864.db2.gz IULZUNVMPSOBGL-IAQYHMDHSA-N 0 0 338.379 3.301 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000871200092 1296269961 /nfs/dbraw/zinc/26/99/61/1296269961.db2.gz MUAAURYNWXJLPD-UVHPCUKQSA-N 0 0 344.411 3.150 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000871296421 1296327608 /nfs/dbraw/zinc/32/76/08/1296327608.db2.gz SNSHXDAWRNMEOV-SJKOYZFVSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000871299821 1296330208 /nfs/dbraw/zinc/33/02/08/1296330208.db2.gz BDIJEWCSIVPNGI-PXAZEXFGSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871303327 1296332865 /nfs/dbraw/zinc/33/28/65/1296332865.db2.gz XBNNHAJZPBRINA-NHYWBVRUSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871339007 1296360917 /nfs/dbraw/zinc/36/09/17/1296360917.db2.gz XFAHRRRJWORSFD-QGZVFWFLSA-N 0 0 332.400 3.088 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871371944 1296377082 /nfs/dbraw/zinc/37/70/82/1296377082.db2.gz JOCPCCASRPFGMO-SFHVURJKSA-N 0 0 343.358 3.278 10 5 EGBERN O=C(NC1(CO)CCCCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871403775 1296384862 /nfs/dbraw/zinc/38/48/62/1296384862.db2.gz ZFASNTKEPLWSLI-UHFFFAOYSA-N 0 0 340.807 3.453 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871746556 1296513364 /nfs/dbraw/zinc/51/33/64/1296513364.db2.gz NDFMWQHEVWCOOS-CHIMOYNISA-N 0 0 339.779 3.327 10 5 EGBERN Cc1cccc(OC[C@@H](O)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026972 1296671839 /nfs/dbraw/zinc/67/18/39/1296671839.db2.gz JGRYTHOILAHLDU-KGLIPLIRSA-N 0 0 348.374 3.133 10 5 EGBERN C[C@H](NCc1nccn1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872031967 1296678778 /nfs/dbraw/zinc/67/87/78/1296678778.db2.gz OKSVMOCDDVNDOE-VIFPVBQESA-N 0 0 346.284 3.344 10 5 EGBERN COc1cc(C(=O)N2CCCCc3cccnc32)cc([N+](=O)[O-])c1C ZINC000872292323 1296900876 /nfs/dbraw/zinc/90/08/76/1296900876.db2.gz AHDMHWIUZNVVAW-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN CCO[C@H]1COCC[C@H]1CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873560669 1297582292 /nfs/dbraw/zinc/58/22/92/1297582292.db2.gz IXTSMRMHIDRPPW-XEZPLFJOSA-N 0 0 337.372 3.031 10 5 EGBERN C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccncc1Br ZINC000873609509 1297631702 /nfs/dbraw/zinc/63/17/02/1297631702.db2.gz JKNZRPZGHLRQBN-SECBINFHSA-N 0 0 345.193 3.284 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000875054018 1298215363 /nfs/dbraw/zinc/21/53/63/1298215363.db2.gz FKXFGTOKJZIYMZ-GHMZBOCLSA-N 0 0 338.335 3.040 10 5 EGBERN C[C@H](NC(=O)NC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000875625316 1298411972 /nfs/dbraw/zinc/41/19/72/1298411972.db2.gz IDZQRRGXFOAEHI-SWLSCSKDSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(NC1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000877905484 1299631460 /nfs/dbraw/zinc/63/14/60/1299631460.db2.gz MERNLWRSZCZLON-UHFFFAOYSA-N 0 0 334.372 3.209 10 5 EGBERN CC(=O)c1c(NCCCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000881809292 1301728641 /nfs/dbraw/zinc/72/86/41/1301728641.db2.gz KCRRCWYIAGTLPI-UHFFFAOYSA-N 0 0 333.310 3.094 10 5 EGBERN COc1cc(C(=O)N2CCc3ccsc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000882186867 1301869258 /nfs/dbraw/zinc/86/92/58/1301869258.db2.gz AUWDLBMZSHIOTM-SNVBAGLBSA-N 0 0 332.381 3.424 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCOC1 ZINC000882453596 1301975699 /nfs/dbraw/zinc/97/56/99/1301975699.db2.gz VLEYUVWJVUTTNF-XHDPSFHLSA-N 0 0 331.372 3.011 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000882463243 1301981852 /nfs/dbraw/zinc/98/18/52/1301981852.db2.gz IRVPQKQBFTXQGA-LLLHUVSDSA-N 0 0 332.400 3.020 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@@H]2CCC[C@]23CCCO3)ccc1[N+](=O)[O-] ZINC000882594509 1302031159 /nfs/dbraw/zinc/03/11/59/1302031159.db2.gz ISJFRIQMZREGDM-AEFFLSMTSA-N 0 0 348.399 3.214 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cccc1[N+](=O)[O-] ZINC000884699122 1302955101 /nfs/dbraw/zinc/95/51/01/1302955101.db2.gz XWJSMBVTOOUTBM-ZLJVHPLZSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1cnn(C)c1)C(C)C ZINC000885423461 1303137638 /nfs/dbraw/zinc/13/76/38/1303137638.db2.gz BKRWTXUHWCNDPJ-JZUUQJBKSA-N 0 0 342.399 3.245 10 5 EGBERN C/C(=C/C(=O)N1CCOC[C@@]1(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000890589883 1304826924 /nfs/dbraw/zinc/82/69/24/1304826924.db2.gz WZXIRXFDDBTZOG-LVWOJMJRSA-N 0 0 330.384 3.026 10 5 EGBERN CC(C)c1ccc(C(=O)N2C[C@@H](C)Cn3nccc32)cc1[N+](=O)[O-] ZINC000893881088 1306112086 /nfs/dbraw/zinc/11/20/86/1306112086.db2.gz DOFDOTULBJSIQB-GFCCVEGCSA-N 0 0 328.372 3.211 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1Cl ZINC000893925349 1306133104 /nfs/dbraw/zinc/13/31/04/1306133104.db2.gz PSJRTQZAZORIRM-ZBFHGGJFSA-N 0 0 338.791 3.388 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894403656 1308857587 /nfs/dbraw/zinc/85/75/87/1308857587.db2.gz WRBYEQPEGJBMIP-OVHOFWQVSA-N 0 0 330.384 3.074 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000894505505 1308926880 /nfs/dbraw/zinc/92/68/80/1308926880.db2.gz DEACXQRQEACJTM-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN O=C(NC1CCC=CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000895207080 1309238895 /nfs/dbraw/zinc/23/88/95/1309238895.db2.gz OPJKLTTWIAVJCW-UHFFFAOYSA-N 0 0 343.427 3.426 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000895213565 1309242322 /nfs/dbraw/zinc/24/23/22/1309242322.db2.gz MQYXVOGTXLBPFM-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN CN(Cc1ccns1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000895453872 1309345845 /nfs/dbraw/zinc/34/58/45/1309345845.db2.gz RWWFKQLFRFZJHV-UHFFFAOYSA-N 0 0 342.218 3.446 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000896588317 1309925438 /nfs/dbraw/zinc/92/54/38/1309925438.db2.gz RQGZIJHSOVIRJT-INIZCTEOSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C ZINC000896855083 1310053429 /nfs/dbraw/zinc/05/34/29/1310053429.db2.gz HLRQBKVWJNWHSM-CYBMUJFWSA-N 0 0 348.399 3.015 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898394870 1310708763 /nfs/dbraw/zinc/70/87/63/1310708763.db2.gz PUFWGWBIKWKBGF-QWHCGFSZSA-N 0 0 342.399 3.109 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2n(n1)CCCC2 ZINC000898400857 1310713448 /nfs/dbraw/zinc/71/34/48/1310713448.db2.gz HYXGNHQCHARWOQ-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1C ZINC000898984424 1310898847 /nfs/dbraw/zinc/89/88/47/1310898847.db2.gz KYHYXXKQOFKOAC-BMGDILEWSA-N 0 0 340.354 3.419 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nccc(C)c2C2CC2)c1 ZINC000857646418 1328573562 /nfs/dbraw/zinc/57/35/62/1328573562.db2.gz AUZRQOBWPVGASU-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000929346258 1328575711 /nfs/dbraw/zinc/57/57/11/1328575711.db2.gz QIOAFRNXTLJFKI-LLVKDONJSA-N 0 0 333.775 3.453 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858013082 1328657512 /nfs/dbraw/zinc/65/75/12/1328657512.db2.gz PSRWEYIWAKBXRX-HNNXBMFYSA-N 0 0 331.347 3.091 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000858045653 1328669106 /nfs/dbraw/zinc/66/91/06/1328669106.db2.gz XMKLNCUJQCKKKM-OAHLLOKOSA-N 0 0 331.347 3.091 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000899689195 1317135255 /nfs/dbraw/zinc/13/52/55/1317135255.db2.gz JUZWHOSYWGVPBE-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000858420345 1328757869 /nfs/dbraw/zinc/75/78/69/1328757869.db2.gz MLHJOMZUARUYFH-LBPRGKRZSA-N 0 0 331.372 3.344 10 5 EGBERN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCCC2(CC2)CC1 ZINC000913340054 1319007778 /nfs/dbraw/zinc/00/77/78/1319007778.db2.gz CCCSAWULWDGYMD-UHFFFAOYSA-N 0 0 346.383 3.162 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000913385327 1319020042 /nfs/dbraw/zinc/02/00/42/1319020042.db2.gz XVOJOPZZHRXRMN-SCZZXKLOSA-N 0 0 342.754 3.009 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000858690449 1328831645 /nfs/dbraw/zinc/83/16/45/1328831645.db2.gz SKCBOTOZBUQDCA-VIFPVBQESA-N 0 0 330.262 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C(F)(F)F)c1 ZINC000858793643 1328863339 /nfs/dbraw/zinc/86/33/39/1328863339.db2.gz KGNFSKBYSGSKMF-JQLIAFOBSA-N 0 0 348.346 3.103 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OCc1cnc(C2CC2)o1 ZINC000918658039 1319984309 /nfs/dbraw/zinc/98/43/09/1319984309.db2.gz IMDNGSQOWHHDFD-UHFFFAOYSA-N 0 0 340.133 3.197 10 5 EGBERN CCN(CCc1ccccn1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930497436 1328877116 /nfs/dbraw/zinc/87/71/16/1328877116.db2.gz XUPYEGOJKKVPBT-UHFFFAOYSA-N 0 0 345.374 3.153 10 5 EGBERN Cn1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000930554070 1328894587 /nfs/dbraw/zinc/89/45/87/1328894587.db2.gz GZPWGGNLTMGUPV-UHFFFAOYSA-N 0 0 342.321 3.372 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000930732602 1328953016 /nfs/dbraw/zinc/95/30/16/1328953016.db2.gz OKJZEANBAUYAOX-CJNGLKHVSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000930732188 1328952011 /nfs/dbraw/zinc/95/20/11/1328952011.db2.gz BQFIPZAHVZZRNA-JQWIXIFHSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(OCc1ccnc(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000859453654 1328990191 /nfs/dbraw/zinc/99/01/91/1328990191.db2.gz QZVNPHQWSPNJOJ-UHFFFAOYSA-N 0 0 345.330 3.086 10 5 EGBERN C[C@@H](OC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000920155559 1322145817 /nfs/dbraw/zinc/14/58/17/1322145817.db2.gz WWIIBNKCPFNGQT-LLVKDONJSA-N 0 0 345.355 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=CC23CCCC3)c(Cl)c1 ZINC000920161706 1322146474 /nfs/dbraw/zinc/14/64/74/1322146474.db2.gz GUJCOBYMQLSEGT-UHFFFAOYSA-N 0 0 342.804 3.122 10 5 EGBERN CC(C)n1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)n1 ZINC000920413106 1322174642 /nfs/dbraw/zinc/17/46/42/1322174642.db2.gz XLUXFUMVJIPBPO-UHFFFAOYSA-N 0 0 346.778 3.332 10 5 EGBERN CC[C@H]1CCCC[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000921000377 1322242595 /nfs/dbraw/zinc/24/25/95/1322242595.db2.gz UXCBGJMQRMYSLP-WFASDCNBSA-N 0 0 337.372 3.494 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922217051 1322480571 /nfs/dbraw/zinc/48/05/71/1322480571.db2.gz CYATXQLRGKICTO-ONGXEEELSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000922394837 1322519235 /nfs/dbraw/zinc/51/92/35/1322519235.db2.gz XIXVLYXKOBNQAO-KWQFWETISA-N 0 0 337.225 3.001 10 5 EGBERN CCc1onc(C)c1COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000922606649 1322569736 /nfs/dbraw/zinc/56/97/36/1322569736.db2.gz FOIVRSSVQVYDJP-VIFPVBQESA-N 0 0 336.319 3.440 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1F ZINC000922643303 1322578072 /nfs/dbraw/zinc/57/80/72/1322578072.db2.gz WVKPWNXLKSICKO-ZSPDNNCOSA-N 0 0 329.274 3.490 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000922645106 1322578985 /nfs/dbraw/zinc/57/89/85/1322578985.db2.gz GDGFFRFVCRIWLB-PTOFAABTSA-N 0 0 331.294 3.153 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000922783196 1322616705 /nfs/dbraw/zinc/61/67/05/1322616705.db2.gz ZNALSTBDWGBRIX-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN CC(F)(F)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000922942914 1322655253 /nfs/dbraw/zinc/65/52/53/1322655253.db2.gz WVLHDXKDXXOVPN-UHFFFAOYSA-N 0 0 345.298 3.348 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2nc3cc(C)ccc3s2)n1 ZINC000859656809 1329047062 /nfs/dbraw/zinc/04/70/62/1329047062.db2.gz VHLCHBOQRXKSQQ-UHFFFAOYSA-N 0 0 346.368 3.086 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCc1ccccc1[N+](=O)[O-] ZINC000923721769 1322797285 /nfs/dbraw/zinc/79/72/85/1322797285.db2.gz MPYGWFMHIREGKM-PWSUYJOCSA-N 0 0 333.262 3.138 10 5 EGBERN Cc1noc(COC(=O)Cc2ccc(SC3CC3)cc2)c1[N+](=O)[O-] ZINC000923767692 1322805265 /nfs/dbraw/zinc/80/52/65/1322805265.db2.gz NFAMADBXNHSWBF-UHFFFAOYSA-N 0 0 348.380 3.432 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCCc1ccncc1 ZINC000923962417 1322856822 /nfs/dbraw/zinc/85/68/22/1322856822.db2.gz NILSOIRLAZTPDQ-UHFFFAOYSA-N 0 0 332.331 3.238 10 5 EGBERN Cc1nc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c(C)s1 ZINC000923965250 1322858264 /nfs/dbraw/zinc/85/82/64/1322858264.db2.gz XATPIHNOIVFADB-UHFFFAOYSA-N 0 0 338.360 3.483 10 5 EGBERN Cc1noc(C)c1CCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923965219 1322858635 /nfs/dbraw/zinc/85/86/35/1322858635.db2.gz WKOYEFRUDLVSSN-UHFFFAOYSA-N 0 0 336.319 3.057 10 5 EGBERN O=C(C[C@@H]1CC=CCC1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000924241236 1322949467 /nfs/dbraw/zinc/94/94/67/1322949467.db2.gz ZBHHVZGORNEUNN-GFCCVEGCSA-N 0 0 333.340 3.251 10 5 EGBERN O=C(COC(=O)[C@@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000859707140 1329060324 /nfs/dbraw/zinc/06/03/24/1329060324.db2.gz BJFXNTURQZXJHO-NSHDSACASA-N 0 0 345.273 3.285 10 5 EGBERN CC(C)=CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000924795047 1323165500 /nfs/dbraw/zinc/16/55/00/1323165500.db2.gz UZWSIPYAZUETSX-JSGCOSHPSA-N 0 0 331.372 3.241 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000925037848 1323253141 /nfs/dbraw/zinc/25/31/41/1323253141.db2.gz JGUYMPHKJXNFSJ-CYBMUJFWSA-N 0 0 336.388 3.268 10 5 EGBERN CCC(C)(C)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810158 1329082314 /nfs/dbraw/zinc/08/23/14/1329082314.db2.gz HLERMXLWCXKCEP-UHFFFAOYSA-N 0 0 344.367 3.210 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000860178235 1329167627 /nfs/dbraw/zinc/16/76/27/1329167627.db2.gz IMKCANHROZUBIJ-OLZOCXBDSA-N 0 0 346.383 3.354 10 5 EGBERN COC(=O)C1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000860189285 1329170309 /nfs/dbraw/zinc/17/03/09/1329170309.db2.gz RVYWHMRGCSAWPV-QWRGUYRKSA-N 0 0 340.807 3.410 10 5 EGBERN C[C@@H](NC(=O)N1CC(CC2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925251947 1325096998 /nfs/dbraw/zinc/09/69/98/1325096998.db2.gz HHCCCVYWHODPFJ-CYBMUJFWSA-N 0 0 347.415 3.114 10 5 EGBERN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000926315658 1325514354 /nfs/dbraw/zinc/51/43/54/1325514354.db2.gz JFPXCUDFSDYFNK-NWDGAFQWSA-N 0 0 347.293 3.216 10 5 EGBERN C[C@@H](OC(=O)C[C@@H](C)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860318579 1329304269 /nfs/dbraw/zinc/30/42/69/1329304269.db2.gz YXSAXLXQDOHUFR-RKDXNWHRSA-N 0 0 348.277 3.054 10 5 EGBERN CC1(C)OC[C@@H](COC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000860635335 1329338767 /nfs/dbraw/zinc/33/87/67/1329338767.db2.gz WEQVNVWOPFIMCE-CYBMUJFWSA-N 0 0 331.324 3.056 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC2(C1)CCOCC2 ZINC000860676303 1329343102 /nfs/dbraw/zinc/34/31/02/1329343102.db2.gz RECNJHLPGLEAAT-UHFFFAOYSA-N 0 0 326.352 3.001 10 5 EGBERN Cc1cc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000861062305 1329383754 /nfs/dbraw/zinc/38/37/54/1329383754.db2.gz NDHUOEGKYNZBQT-UHFFFAOYSA-N 0 0 329.356 3.023 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927292009 1327959486 /nfs/dbraw/zinc/95/94/86/1327959486.db2.gz HNSNZKHSPRUPIW-LBPRGKRZSA-N 0 0 332.253 3.101 10 5 EGBERN Cc1ccc(NC(=O)N[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000927382721 1327996463 /nfs/dbraw/zinc/99/64/63/1327996463.db2.gz APRLBNWAUJMCDO-AWEZNQCLSA-N 0 0 326.356 3.497 10 5 EGBERN COC[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000927589575 1328073240 /nfs/dbraw/zinc/07/32/40/1328073240.db2.gz KHAWIBVDKFBEAB-OAHLLOKOSA-N 0 0 349.431 3.187 10 5 EGBERN CCOC(CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)OCC ZINC000861232318 1329399937 /nfs/dbraw/zinc/39/99/37/1329399937.db2.gz BNXOVADBXCTPFA-UHFFFAOYSA-N 0 0 346.383 3.267 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(C(F)F)on1 ZINC000928149203 1328217350 /nfs/dbraw/zinc/21/73/50/1328217350.db2.gz WLSKUQAXFKAISE-UHFFFAOYSA-N 0 0 339.298 3.376 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928247136 1328254124 /nfs/dbraw/zinc/25/41/24/1328254124.db2.gz QRXOBWFYCLEONV-LLVKDONJSA-N 0 0 336.388 3.140 10 5 EGBERN O=C(/C=C/[C@@H]1CCOC1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446487 1329419111 /nfs/dbraw/zinc/41/91/11/1329419111.db2.gz VEXAYDSLXDJYMN-NZELKORMSA-N 0 0 345.273 3.334 10 5 EGBERN COCCC1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000861465976 1329419931 /nfs/dbraw/zinc/41/99/31/1329419931.db2.gz JPSMCIQVZSZRKZ-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN CCC[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1 ZINC000861673876 1329435723 /nfs/dbraw/zinc/43/57/23/1329435723.db2.gz HEIGXTAXWWZSCY-GOSISDBHSA-N 0 0 328.368 3.437 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@@]1(C)Br ZINC000861762165 1329440244 /nfs/dbraw/zinc/44/02/44/1329440244.db2.gz FNTRFSCCCYIEFY-NOZJJQNGSA-N 0 0 327.178 3.324 10 5 EGBERN C[C@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@H]1C2(F)F ZINC000861799664 1329442297 /nfs/dbraw/zinc/44/22/97/1329442297.db2.gz KAGQPJASGSHTQT-MFKMUULPSA-N 0 0 330.718 3.366 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC2(CCO2)CC1 ZINC000862023509 1329455666 /nfs/dbraw/zinc/45/56/66/1329455666.db2.gz HGKAJAOROHBPPU-UHFFFAOYSA-N 0 0 326.352 3.143 10 5 EGBERN C/C(=C\C(=O)N1CCC(c2ncco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000862108835 1329459072 /nfs/dbraw/zinc/45/90/72/1329459072.db2.gz IVBMOIFSRZHJQN-OUKQBFOZSA-N 0 0 341.367 3.392 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCOC[C@H]1C1CCC1 ZINC000862101452 1329459140 /nfs/dbraw/zinc/45/91/40/1329459140.db2.gz QVJDXZGKXMPJPI-SFHVURJKSA-N 0 0 340.379 3.389 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000862125899 1329460415 /nfs/dbraw/zinc/46/04/15/1329460415.db2.gz LEEGLDRTJQALSA-HNNXBMFYSA-N 0 0 338.791 3.183 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@](C)(C(F)F)O1 ZINC000862242161 1329469991 /nfs/dbraw/zinc/46/99/91/1329469991.db2.gz YVJPRFUKPROOEB-RMLUDKJBSA-N 0 0 348.733 3.133 10 5 EGBERN C/C=C\C[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341020 1329548254 /nfs/dbraw/zinc/54/82/54/1329548254.db2.gz TVEUGRWVJNXKMN-ZRMMWKCHSA-N 0 0 331.372 3.138 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CCCC12CC2 ZINC000863774565 1329580426 /nfs/dbraw/zinc/58/04/26/1329580426.db2.gz AVXCAQPULBTHJC-NSHDSACASA-N 0 0 349.362 3.002 10 5 EGBERN Cc1ccc(N2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)cc1[N+](=O)[O-] ZINC000864549511 1329624893 /nfs/dbraw/zinc/62/48/93/1329624893.db2.gz WAVWOTSTYUZXON-QGZVFWFLSA-N 0 0 331.372 3.298 10 5 EGBERN CC(C)[C@@H](C)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864773263 1329641749 /nfs/dbraw/zinc/64/17/49/1329641749.db2.gz KCYXSKQPANFYNM-SNVBAGLBSA-N 0 0 343.221 3.403 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000864947168 1329654521 /nfs/dbraw/zinc/65/45/21/1329654521.db2.gz XDUIXXXTVDVKRQ-MSOLQXFVSA-N 0 0 340.379 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c(C(F)F)c1 ZINC000865448103 1329698877 /nfs/dbraw/zinc/69/88/77/1329698877.db2.gz ASCBACQRTHYFMP-LLVKDONJSA-N 0 0 349.341 3.403 10 5 EGBERN Cc1cccc2c1CCN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C2 ZINC000865507950 1329707007 /nfs/dbraw/zinc/70/70/07/1329707007.db2.gz ASVFUORMMWPKSC-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN Cn1c2ccncc2nc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000865852923 1329745722 /nfs/dbraw/zinc/74/57/22/1329745722.db2.gz DDHKXPZZJDZIRC-CQSZACIVSA-N 0 0 337.383 3.261 10 5 EGBERN Cc1cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc(Cl)n1 ZINC000865898137 1329750171 /nfs/dbraw/zinc/75/01/71/1329750171.db2.gz MVLOLYXGDYPWDB-UHFFFAOYSA-N 0 0 349.700 3.316 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(F)F)[C@@]1(O)CCOC1 ZINC000865900020 1329750446 /nfs/dbraw/zinc/75/04/46/1329750446.db2.gz DGLQJBCKCXHUMX-OAHLLOKOSA-N 0 0 330.331 3.122 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000866018750 1329759358 /nfs/dbraw/zinc/75/93/58/1329759358.db2.gz SFILWMBAHMSXGQ-CYBMUJFWSA-N 0 0 331.347 3.005 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000934211432 1329956024 /nfs/dbraw/zinc/95/60/24/1329956024.db2.gz DYQXPQKAALITHC-YEWDVWPNSA-N 0 0 330.384 3.040 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCC2([C@H]3CCCCO3)CCC2)cc1F ZINC000866094324 1330064995 /nfs/dbraw/zinc/06/49/95/1330064995.db2.gz SXQISUOHZYKORS-MRXNPFEDSA-N 0 0 338.379 3.378 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1conc1C1CCCC1 ZINC000866114148 1330066701 /nfs/dbraw/zinc/06/67/01/1330066701.db2.gz WFZPVVFJUKYMBM-UHFFFAOYSA-N 0 0 329.356 3.213 10 5 EGBERN CS[C@H]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866125089 1330067802 /nfs/dbraw/zinc/06/78/02/1330067802.db2.gz YTQWAVMKWSADFM-ZFWWWQNUSA-N 0 0 334.441 3.417 10 5 EGBERN Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000866140160 1330069748 /nfs/dbraw/zinc/06/97/48/1330069748.db2.gz HNJGDEFEJZCBHZ-UHFFFAOYSA-N 0 0 325.368 3.171 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CCC3)[C@@H]3CCOC3)cc2N1 ZINC000866144172 1330070080 /nfs/dbraw/zinc/07/00/80/1330070080.db2.gz XWPUCHXTHOPWCF-ACJLOTCBSA-N 0 0 345.399 3.097 10 5 EGBERN O=[N+]([O-])c1cnc(N2Cc3cccnc3N3CCC[C@@H]3C2)c(Cl)c1 ZINC000866157259 1330071456 /nfs/dbraw/zinc/07/14/56/1330071456.db2.gz OSDNYMSKYJZPPB-GFCCVEGCSA-N 0 0 345.790 3.027 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1([C@H]2CCCCO2)CCC1 ZINC000866175136 1330073374 /nfs/dbraw/zinc/07/33/74/1330073374.db2.gz ORIOCTIYUUKWSE-CQSZACIVSA-N 0 0 337.351 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CO2)CCOCC3)c2ccncc21 ZINC000866178022 1330073963 /nfs/dbraw/zinc/07/39/63/1330073963.db2.gz MLVUNPMHOURFDF-ZDUSSCGKSA-N 0 0 343.383 3.141 10 5 EGBERN COc1ccc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000866235529 1330082419 /nfs/dbraw/zinc/08/24/19/1330082419.db2.gz FWFDMOMMONUKBX-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2ncc(Cl)cc2[N+](=O)[O-])no1 ZINC000866251055 1330085558 /nfs/dbraw/zinc/08/55/58/1330085558.db2.gz MNBJESKHEFXWBY-CLYYMRHHSA-N 0 0 349.778 3.250 10 5 EGBERN CCC(=O)c1ccc(N2CCN(C)c3ncccc3C2)c([N+](=O)[O-])c1 ZINC000866293275 1330091525 /nfs/dbraw/zinc/09/15/25/1330091525.db2.gz IBBIAKLLHQCNOK-UHFFFAOYSA-N 0 0 340.383 3.039 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866374827 1330103336 /nfs/dbraw/zinc/10/33/36/1330103336.db2.gz OKKABSQPSIRXTB-ZEJWKSJJSA-N 0 0 332.400 3.286 10 5 EGBERN CCC1(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000866400280 1330106899 /nfs/dbraw/zinc/10/68/99/1330106899.db2.gz XEPGJCYHSHXYTR-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000866451370 1330114044 /nfs/dbraw/zinc/11/40/44/1330114044.db2.gz JCWBIAKXUIDVCM-XHSDSOJGSA-N 0 0 332.379 3.288 10 5 EGBERN CCOCCCCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866500507 1330119013 /nfs/dbraw/zinc/11/90/13/1330119013.db2.gz DFHCDIYZNWEMKB-UHFFFAOYSA-N 0 0 328.796 3.461 10 5 EGBERN COc1cccc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868078913 1330246951 /nfs/dbraw/zinc/24/69/51/1330246951.db2.gz QAJOAYXPFANWON-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000868496941 1330286328 /nfs/dbraw/zinc/28/63/28/1330286328.db2.gz OEEHCBNKHJQFCW-NSHDSACASA-N 0 0 348.428 3.271 10 5 EGBERN Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000869053474 1330403014 /nfs/dbraw/zinc/40/30/14/1330403014.db2.gz APDNHGOXSPNFAI-HOTGVXAUSA-N 0 0 347.415 3.002 10 5 EGBERN CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053741 1330403870 /nfs/dbraw/zinc/40/38/70/1330403870.db2.gz SEUZATLUOPWRMG-KBPBESRZSA-N 0 0 337.445 3.377 10 5 EGBERN CC1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC=CC1 ZINC000869186804 1330430986 /nfs/dbraw/zinc/43/09/86/1330430986.db2.gz JUKSGEOLRLFWQN-UHFFFAOYSA-N 0 0 339.189 3.125 10 5 EGBERN CC(C)(C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCO1 ZINC000869713772 1330551442 /nfs/dbraw/zinc/55/14/42/1330551442.db2.gz JMWWMYOLLZGDDX-CQSZACIVSA-N 0 0 325.336 3.372 10 5 EGBERN CC(C)(C(=O)OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000869715131 1330551843 /nfs/dbraw/zinc/55/18/43/1330551843.db2.gz MOFKTUBWERIDEV-AWEZNQCLSA-N 0 0 325.336 3.372 10 5 EGBERN Cc1nc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)oc1C ZINC000869810103 1330568464 /nfs/dbraw/zinc/56/84/64/1330568464.db2.gz DHCCVCMFXQNMAB-UHFFFAOYSA-N 0 0 330.340 3.365 10 5 EGBERN CC(=O)c1cccc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC001184472991 1387467901 /nfs/dbraw/zinc/46/79/01/1387467901.db2.gz SVWZSMVBTBIARJ-UHFFFAOYSA-N 0 0 349.364 3.182 10 5 EGBERN CN(C(=O)CCC1CCCC1)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001323886030 1387489174 /nfs/dbraw/zinc/48/91/74/1387489174.db2.gz RWWIEXXMVFFWAU-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN Cc1nc(NCc2ccccc2OC(F)(F)F)ncc1[N+](=O)[O-] ZINC001184681400 1387507469 /nfs/dbraw/zinc/50/74/69/1387507469.db2.gz NSUBPGOHSMZHFQ-UHFFFAOYSA-N 0 0 328.250 3.204 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)Cn2cccn2)cc1C ZINC001184865563 1387550453 /nfs/dbraw/zinc/55/04/53/1387550453.db2.gz RKOHZWVXWPTUSQ-LBPRGKRZSA-N 0 0 346.387 3.025 10 5 EGBERN O=c1[nH]ccc(NCc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC001185332053 1387685252 /nfs/dbraw/zinc/68/52/52/1387685252.db2.gz UTYKZVKGQVGMJP-UHFFFAOYSA-N 0 0 342.124 3.209 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CC(OCCCOc2ccccc2)C1 ZINC001185801977 1387804831 /nfs/dbraw/zinc/80/48/31/1387804831.db2.gz QLZZAGHSMKKGRZ-UHFFFAOYSA-N 0 0 346.358 3.408 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1OCc1ccc3ncccc3c1)OCCO2 ZINC001190242438 1367207464 /nfs/dbraw/zinc/20/74/64/1367207464.db2.gz HVMLHTIYDVXVRZ-UHFFFAOYSA-N 0 0 338.319 3.493 10 5 EGBERN C[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])N1CCCCC1=O ZINC001186166919 1387888401 /nfs/dbraw/zinc/88/84/01/1387888401.db2.gz OGBWQOCOJMTJOQ-SNVBAGLBSA-N 0 0 345.321 3.427 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccccc2Br)n1 ZINC001186276601 1387913089 /nfs/dbraw/zinc/91/30/89/1387913089.db2.gz XDEIHLHNWUWOBS-GXSJLCMTSA-N 0 0 337.177 3.059 10 5 EGBERN C[C@@H]1COCC[C@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186382060 1387931820 /nfs/dbraw/zinc/93/18/20/1387931820.db2.gz ZXRPBXRKPVPGEU-MNOVXSKESA-N 0 0 335.791 3.303 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001186451707 1387945487 /nfs/dbraw/zinc/94/54/87/1387945487.db2.gz JWRCLJSAVRRLNY-UHFFFAOYSA-N 0 0 336.342 3.066 10 5 EGBERN C[C@@H]1Cc2cccc(F)c2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001197124104 1368749173 /nfs/dbraw/zinc/74/91/73/1368749173.db2.gz BBSSTZVOJGZURD-PXAZEXFGSA-N 0 0 330.359 3.466 10 5 EGBERN COCc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1OC ZINC001187207074 1388071007 /nfs/dbraw/zinc/07/10/07/1388071007.db2.gz FACZCVBXQGDKSW-UHFFFAOYSA-N 0 0 340.339 3.437 10 5 EGBERN COc1ccc(C[C@@H](C)N(C)c2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001116050090 1370827634 /nfs/dbraw/zinc/82/76/34/1370827634.db2.gz OGKIJJAGEZHBKB-LLVKDONJSA-N 0 0 346.412 3.380 10 5 EGBERN Cc1cncc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001116455298 1370916112 /nfs/dbraw/zinc/91/61/12/1370916112.db2.gz ZZTWCSVXVJKHHS-UHFFFAOYSA-N 0 0 336.731 3.187 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001117767003 1371078862 /nfs/dbraw/zinc/07/88/62/1371078862.db2.gz WLIFVHYYTLBAIG-UHFFFAOYSA-N 0 0 328.372 3.122 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118483371 1371188728 /nfs/dbraw/zinc/18/87/28/1371188728.db2.gz YGIWDJJYMWJYGH-WQAKAFBOSA-N 0 0 341.310 3.328 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118700759 1371213374 /nfs/dbraw/zinc/21/33/74/1371213374.db2.gz RGANPHVTYZLGGY-YUELXQCFSA-N 0 0 338.354 3.277 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccco2)CC1 ZINC001118721030 1371216003 /nfs/dbraw/zinc/21/60/03/1371216003.db2.gz PPPMXTFVKSKJGO-UHFFFAOYSA-N 0 0 329.356 3.249 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1c2ccccc2OC[C@H]1F ZINC001187586467 1388127975 /nfs/dbraw/zinc/12/79/75/1388127975.db2.gz NYKZABRJMHYISU-CXAGYDPISA-N 0 0 339.326 3.449 10 5 EGBERN Cc1cc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)nn1 ZINC001119541181 1371364471 /nfs/dbraw/zinc/36/44/71/1371364471.db2.gz VAIFAZYWQKFSGW-UHFFFAOYSA-N 0 0 347.396 3.302 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001119710351 1371392426 /nfs/dbraw/zinc/39/24/26/1371392426.db2.gz XBAQHEAASYKSJV-KUHUBIRLSA-N 0 0 337.379 3.050 10 5 EGBERN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccsc1[N+](=O)[O-] ZINC001187715699 1388148899 /nfs/dbraw/zinc/14/88/99/1388148899.db2.gz BJAYGUTWZWZSKI-JTQLQIEISA-N 0 0 327.406 3.102 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC1(n2cccn2)CC1 ZINC001187733272 1388152947 /nfs/dbraw/zinc/15/29/47/1388152947.db2.gz WKUZRPKMWJKTIB-UHFFFAOYSA-N 0 0 343.774 3.016 10 5 EGBERN CCOc1cccc(N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001187807503 1388166859 /nfs/dbraw/zinc/16/68/59/1388166859.db2.gz APCLRLVCVQKFLL-UHFFFAOYSA-N 0 0 342.399 3.469 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCc2ccc(Oc3ccccc3)cn2)n1 ZINC001187881289 1388183688 /nfs/dbraw/zinc/18/36/88/1388183688.db2.gz XUBDTTADOMLLFX-UHFFFAOYSA-N 0 0 325.328 3.128 10 5 EGBERN CC(C)Oc1cc(C(=O)OCC(C)(C)n2ccnc2)ccc1[N+](=O)[O-] ZINC001123050795 1372369904 /nfs/dbraw/zinc/36/99/04/1372369904.db2.gz PZJAYWSXIPXKGX-UHFFFAOYSA-N 0 0 347.371 3.171 10 5 EGBERN COc1cccc(C(=O)OCC2([C@@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC001123258333 1372408778 /nfs/dbraw/zinc/40/87/78/1372408778.db2.gz XJRLDGOTSRXIAP-HNNXBMFYSA-N 0 0 349.383 3.500 10 5 EGBERN CCCC[C@@](C)(F)C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001123367782 1372444599 /nfs/dbraw/zinc/44/45/99/1372444599.db2.gz BYSRESNFBIVLFI-OAHLLOKOSA-N 0 0 327.308 3.190 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cnc(F)cc2Cl)c1 ZINC001326474985 1388206923 /nfs/dbraw/zinc/20/69/23/1388206923.db2.gz KKBBUJBONXVOHR-UHFFFAOYSA-N 0 0 326.667 3.361 10 5 EGBERN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC001123982197 1372646502 /nfs/dbraw/zinc/64/65/02/1372646502.db2.gz VVQDXNGRYACSRA-HNNXBMFYSA-N 0 0 349.774 3.151 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001124036972 1372662605 /nfs/dbraw/zinc/66/26/05/1372662605.db2.gz UPQUHKFFWIANHC-FZMZJTMJSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(NCCCC1CCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001124056217 1372666624 /nfs/dbraw/zinc/66/66/24/1372666624.db2.gz GGDGXHYXYFGTSO-QGZVFWFLSA-N 0 0 345.399 3.174 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001124075744 1372669313 /nfs/dbraw/zinc/66/93/13/1372669313.db2.gz NZFMNZPCHSXVQM-UHFFFAOYSA-N 0 0 346.295 3.348 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001124350656 1372693998 /nfs/dbraw/zinc/69/39/98/1372693998.db2.gz QXRUFBXOOZFKDE-DIFFPNOSSA-N 0 0 335.356 3.006 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccnc(-c2ccccc2)n1 ZINC001124395935 1372698148 /nfs/dbraw/zinc/69/81/48/1372698148.db2.gz BLQPSXJFZHRTMI-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(C3OCCO3)cc2)cc1[N+](=O)[O-] ZINC001124405948 1372698874 /nfs/dbraw/zinc/69/88/74/1372698874.db2.gz BRMSYUKNFFZEHI-UHFFFAOYSA-N 0 0 328.324 3.201 10 5 EGBERN COC(=O)/C=C/c1ccc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC001124518023 1372708422 /nfs/dbraw/zinc/70/84/22/1372708422.db2.gz UYNXTCNOPXAJND-FNORWQNLSA-N 0 0 345.307 3.210 10 5 EGBERN Cc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC001124681038 1372721761 /nfs/dbraw/zinc/72/17/61/1372721761.db2.gz JHPYXSAPQNTNRX-UHFFFAOYSA-N 0 0 327.312 3.128 10 5 EGBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC001124733148 1372726558 /nfs/dbraw/zinc/72/65/58/1372726558.db2.gz HAVOESKMWBDHQG-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(-n2ccnc2)cc1 ZINC001124771983 1372729110 /nfs/dbraw/zinc/72/91/10/1372729110.db2.gz DZZVHSLXBLYKQC-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001124857042 1372735813 /nfs/dbraw/zinc/73/58/13/1372735813.db2.gz IWIWFGPZJMOKMN-IGCXYCKISA-N 0 0 345.399 3.125 10 5 EGBERN CC1(C)CCc2onc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2C1 ZINC001125381839 1372778975 /nfs/dbraw/zinc/77/89/75/1372778975.db2.gz DJSRJDNRFNRHKH-UHFFFAOYSA-N 0 0 343.383 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1cc(F)cc(F)c1 ZINC001125696215 1372837535 /nfs/dbraw/zinc/83/75/35/1372837535.db2.gz HMFXNETUTQTJGC-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001126148977 1372943643 /nfs/dbraw/zinc/94/36/43/1372943643.db2.gz LGQAYSBJRFAVSY-JOWJHRDDSA-N 0 0 344.392 3.074 10 5 EGBERN Cc1ccnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2)n1 ZINC001126172248 1372945805 /nfs/dbraw/zinc/94/58/05/1372945805.db2.gz UWDQGIKFFHGWPH-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001326539095 1388233087 /nfs/dbraw/zinc/23/30/87/1388233087.db2.gz GTLDYLJYRGXRMJ-UHFFFAOYSA-N 0 0 348.233 3.279 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC001126372601 1372961242 /nfs/dbraw/zinc/96/12/42/1372961242.db2.gz HVTHTDHGKONNJU-NZVBXONLSA-N 0 0 332.356 3.146 10 5 EGBERN COc1ccc(OC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1OC ZINC001126429083 1372965237 /nfs/dbraw/zinc/96/52/37/1372965237.db2.gz KURKLNIUSCRIKQ-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN Cc1noc2ncc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cc12 ZINC001126499366 1372969420 /nfs/dbraw/zinc/96/94/20/1372969420.db2.gz DUHLMIVMVHBCOP-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1C ZINC001126508171 1372970101 /nfs/dbraw/zinc/97/01/01/1372970101.db2.gz VQZYWGMISBGUSX-CHWSQXEVSA-N 0 0 325.368 3.385 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)/C=C/c2cccnc2C)cc1[N+](=O)[O-] ZINC001126533483 1372972983 /nfs/dbraw/zinc/97/29/83/1372972983.db2.gz USIKKGZXRAFAHI-MYSGNRETSA-N 0 0 325.368 3.497 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccncc2C)cc1[N+](=O)[O-] ZINC001126612437 1372983155 /nfs/dbraw/zinc/98/31/55/1372983155.db2.gz VILNMEJZUMTTRF-LMVHVUTASA-N 0 0 325.368 3.497 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(c1)C(=O)CCC2 ZINC001126877650 1373045355 /nfs/dbraw/zinc/04/53/55/1373045355.db2.gz MTRXJCXSGBJEQE-UHFFFAOYSA-N 0 0 342.326 3.434 10 5 EGBERN O=C(c1cc2cccn2cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001126983357 1373062933 /nfs/dbraw/zinc/06/29/33/1373062933.db2.gz PBJBQTPKUCBKFF-UHFFFAOYSA-N 0 0 336.351 3.047 10 5 EGBERN CC[C@@H](NC(=O)c1ncnc2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC001127197772 1373102626 /nfs/dbraw/zinc/10/26/26/1373102626.db2.gz LKNRFVIFRBKGBB-GFCCVEGCSA-N 0 0 342.380 3.481 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCc2cccnc21 ZINC001127586886 1373143004 /nfs/dbraw/zinc/14/30/04/1373143004.db2.gz VWSRNBCHRFLJEE-UHFFFAOYSA-N 0 0 338.150 3.500 10 5 EGBERN CC[C@H](NC(=O)/C=C(/C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC001127680204 1373159205 /nfs/dbraw/zinc/15/92/05/1373159205.db2.gz ACFJDFAIZCOPFO-LMRWQKIVSA-N 0 0 326.356 3.056 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2csc(C(C)(C)C)n2)n1 ZINC001127716812 1373167097 /nfs/dbraw/zinc/16/70/97/1373167097.db2.gz HUCOAXLWZCIXGR-UHFFFAOYSA-N 0 0 348.428 3.025 10 5 EGBERN CCc1nnc(C)cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127962725 1373204414 /nfs/dbraw/zinc/20/44/14/1373204414.db2.gz KJJRQRXMQCMZMZ-UHFFFAOYSA-N 0 0 337.339 3.056 10 5 EGBERN CN(C)c1ccc(COC(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001128002516 1373207800 /nfs/dbraw/zinc/20/78/00/1373207800.db2.gz JOEDGUGUNOKLBM-WMLDXEAASA-N 0 0 348.399 3.052 10 5 EGBERN O=C(Nc1cccc2c1OCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001128006270 1373207891 /nfs/dbraw/zinc/20/78/91/1373207891.db2.gz KEINEPOYQPHHRP-STQMWFEESA-N 0 0 326.308 3.066 10 5 EGBERN CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H]1C ZINC001128281770 1373245819 /nfs/dbraw/zinc/24/58/19/1373245819.db2.gz AFSVOPJVZFDQAH-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC001128409312 1373263414 /nfs/dbraw/zinc/26/34/14/1373263414.db2.gz CAKSEZHVGDQCNQ-MRXNPFEDSA-N 0 0 348.330 3.377 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001128472878 1373273256 /nfs/dbraw/zinc/27/32/56/1373273256.db2.gz ZQYOFEOBAALDGI-RBSFLKMASA-N 0 0 333.432 3.220 10 5 EGBERN CCc1ccc(C(=O)Nc2ccnc(C3(C)CC3)n2)cc1[N+](=O)[O-] ZINC001128631426 1373299233 /nfs/dbraw/zinc/29/92/33/1373299233.db2.gz CCROUTNVZHVTBC-UHFFFAOYSA-N 0 0 326.356 3.251 10 5 EGBERN C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc2c1OCO2 ZINC001128881347 1373320995 /nfs/dbraw/zinc/32/09/95/1373320995.db2.gz OVXHHGWGXNXQMT-LLVKDONJSA-N 0 0 345.307 3.007 10 5 EGBERN Cn1nc(C(F)(F)F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001128947192 1373327480 /nfs/dbraw/zinc/32/74/80/1373327480.db2.gz PDENPLSEKFGOHN-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN COc1cccc(C(=O)Nc2cccc3oc(C)nc32)c1[N+](=O)[O-] ZINC001128979165 1373330278 /nfs/dbraw/zinc/33/02/78/1373330278.db2.gz HYJWVIMDMXIJHQ-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC001129062541 1373341828 /nfs/dbraw/zinc/34/18/28/1373341828.db2.gz MVMWHRHDECUCCP-LBPRGKRZSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1ncccc1/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129286550 1373369005 /nfs/dbraw/zinc/36/90/05/1373369005.db2.gz KEPYGXQMNJCHLL-KHPPLWFESA-N 0 0 325.368 3.363 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCCC3=O)c1 ZINC001129359485 1373374799 /nfs/dbraw/zinc/37/47/99/1373374799.db2.gz RGVFVHAQUZVLDI-UHFFFAOYSA-N 0 0 340.335 3.375 10 5 EGBERN C=COc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC001129587746 1373400356 /nfs/dbraw/zinc/40/03/56/1373400356.db2.gz XLXLYBKOLLWXRH-UHFFFAOYSA-N 0 0 327.340 3.192 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1Cc2ccc(Cl)cc2C1 ZINC001129707458 1373415024 /nfs/dbraw/zinc/41/50/24/1373415024.db2.gz XLOCALJCGSRLCX-UHFFFAOYSA-N 0 0 347.714 3.312 10 5 EGBERN CCc1csc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC001129752523 1373420191 /nfs/dbraw/zinc/42/01/91/1373420191.db2.gz KPMUEEKVAAMJRM-UHFFFAOYSA-N 0 0 325.321 3.014 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001129819063 1373425923 /nfs/dbraw/zinc/42/59/23/1373425923.db2.gz GIGDRLANCSZCMV-CQSZACIVSA-N 0 0 341.411 3.330 10 5 EGBERN O=C(Nc1ccccc1Sc1ncccn1)c1ccc([N+](=O)[O-])o1 ZINC001130679042 1373579599 /nfs/dbraw/zinc/57/95/99/1373579599.db2.gz IIDMUZRDBFZMOS-UHFFFAOYSA-N 0 0 342.336 3.381 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC001130758806 1373588404 /nfs/dbraw/zinc/58/84/04/1373588404.db2.gz OJQHUCWIPWXWGT-UHFFFAOYSA-N 0 0 337.291 3.124 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC001130765788 1373589181 /nfs/dbraw/zinc/58/91/81/1373589181.db2.gz HWSBHBVJNQKWBL-LBPRGKRZSA-N 0 0 325.368 3.100 10 5 EGBERN C[C@@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC001130761052 1373589376 /nfs/dbraw/zinc/58/93/76/1373589376.db2.gz DHEZMSHXMCQQOR-NSHDSACASA-N 0 0 339.355 3.009 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC(F)(F)c1cccc(F)c1 ZINC001130881779 1373602474 /nfs/dbraw/zinc/60/24/74/1373602474.db2.gz PNVHPNATBDATMI-UHFFFAOYSA-N 0 0 338.285 3.185 10 5 EGBERN Cc1ccc(C(=O)NCCc2ccnc3ccccc23)cc1[N+](=O)[O-] ZINC001130942789 1373612547 /nfs/dbraw/zinc/61/25/47/1373612547.db2.gz LSXGIFIPCRKDPB-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cccn2nccc12 ZINC001130959241 1373616227 /nfs/dbraw/zinc/61/62/27/1373616227.db2.gz DIZLHZXACBFYDO-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN CCOc1cc(NC(=O)/C(C)=C\c2ccncc2)ccc1[N+](=O)[O-] ZINC001131000079 1373622696 /nfs/dbraw/zinc/62/26/96/1373622696.db2.gz GHOGTHWNEUEDRG-BENRWUELSA-N 0 0 327.340 3.431 10 5 EGBERN CCOc1cc(NC(=O)c2ccc(OC(C)C)cn2)ccc1[N+](=O)[O-] ZINC001131000505 1373622983 /nfs/dbraw/zinc/62/29/83/1373622983.db2.gz UPNWQMSVMHUEOP-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131250764 1373669329 /nfs/dbraw/zinc/66/93/29/1373669329.db2.gz HPSOKXXROXEXEQ-SECBINFHSA-N 0 0 340.339 3.490 10 5 EGBERN Cc1ccc2oc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2c1 ZINC001131259917 1373671112 /nfs/dbraw/zinc/67/11/12/1373671112.db2.gz AAWAPQMUWADZMD-UHFFFAOYSA-N 0 0 340.335 3.345 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001131492738 1373710608 /nfs/dbraw/zinc/71/06/08/1373710608.db2.gz YCRVAJGPXDEVRP-OWCLPIDISA-N 0 0 328.755 3.316 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001131500885 1373711515 /nfs/dbraw/zinc/71/15/15/1373711515.db2.gz YFVCYKJLIUTMRN-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN COc1c(F)ccc(F)c1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001132637508 1375493000 /nfs/dbraw/zinc/49/30/00/1375493000.db2.gz QMEFOQOTOWBQHU-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnn(C2CCC2)c1 ZINC001132653744 1375498740 /nfs/dbraw/zinc/49/87/40/1375498740.db2.gz CLEQOOBGJMAVFT-UHFFFAOYSA-N 0 0 329.356 3.490 10 5 EGBERN CCOc1cccc(/C=C\C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001132750364 1375546275 /nfs/dbraw/zinc/54/62/75/1375546275.db2.gz IEZIEXPNENDVQS-FPLPWBNLSA-N 0 0 343.339 3.049 10 5 EGBERN Cc1c(C(=O)NCC2(CC3CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001133205780 1375840363 /nfs/dbraw/zinc/84/03/63/1375840363.db2.gz PAPDLWSDZVPCTC-UHFFFAOYSA-N 0 0 333.344 3.122 10 5 EGBERN C[C@@H](COCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001134120199 1376378354 /nfs/dbraw/zinc/37/83/54/1376378354.db2.gz IIOCZIGDMRXBON-NSHDSACASA-N 0 0 326.418 3.372 10 5 EGBERN Cc1ccc(CCCC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)s1 ZINC001134137950 1376385085 /nfs/dbraw/zinc/38/50/85/1376385085.db2.gz ZYWKJTJWDQFAAY-UHFFFAOYSA-N 0 0 347.396 3.025 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC001134141630 1376386023 /nfs/dbraw/zinc/38/60/23/1376386023.db2.gz VFLAUKCGLNAGEH-NSHDSACASA-N 0 0 335.379 3.253 10 5 EGBERN COC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)C ZINC001134287087 1376459549 /nfs/dbraw/zinc/45/95/49/1376459549.db2.gz PYCYBCNEIRIQRS-AWEZNQCLSA-N 0 0 338.404 3.030 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc2c(c1)CCO2 ZINC001134328901 1376479538 /nfs/dbraw/zinc/47/95/38/1376479538.db2.gz GWHSZYVKZLNJDT-GFCCVEGCSA-N 0 0 326.352 3.329 10 5 EGBERN Cn1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001134374191 1376500466 /nfs/dbraw/zinc/50/04/66/1376500466.db2.gz GFVAKVAWACBTJK-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001134495737 1376568751 /nfs/dbraw/zinc/56/87/51/1376568751.db2.gz PPXXEQPUIKCPGX-NSHDSACASA-N 0 0 329.312 3.037 10 5 EGBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001134554510 1376590702 /nfs/dbraw/zinc/59/07/02/1376590702.db2.gz QRNWRLLWCOQBDW-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001134926338 1376793786 /nfs/dbraw/zinc/79/37/86/1376793786.db2.gz CEWMQICHYNTVHR-LMOYCYGVSA-N 0 0 348.399 3.033 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001134963216 1376812970 /nfs/dbraw/zinc/81/29/70/1376812970.db2.gz YZUWXUKONNIKMC-NSHDSACASA-N 0 0 337.376 3.003 10 5 EGBERN Cc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)cc([N+](=O)[O-])c1 ZINC001135145897 1376933149 /nfs/dbraw/zinc/93/31/49/1376933149.db2.gz WVQUENLIINUVNV-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC(C)CC(=O)NCCC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001135225899 1376987611 /nfs/dbraw/zinc/98/76/11/1376987611.db2.gz JAQWUPCNBMNRIO-UHFFFAOYSA-N 0 0 343.383 3.239 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(CO)c1 ZINC001135339103 1377045295 /nfs/dbraw/zinc/04/52/95/1377045295.db2.gz WRHCGTDWHJQADS-UHFFFAOYSA-N 0 0 334.759 3.312 10 5 EGBERN Nc1ncc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] ZINC001135895921 1377253516 /nfs/dbraw/zinc/25/35/16/1377253516.db2.gz CHOFZXWNIAANCN-UHFFFAOYSA-N 0 0 340.311 3.139 10 5 EGBERN COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)ccc1C ZINC001266572438 1377334318 /nfs/dbraw/zinc/33/43/18/1377334318.db2.gz HTMJAYZETXODNS-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN CC(=O)c1cnc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001136949598 1377444081 /nfs/dbraw/zinc/44/40/81/1377444081.db2.gz ZGTYCCNZMZDLNR-UHFFFAOYSA-N 0 0 339.760 3.089 10 5 EGBERN CC(C)(C)C1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001137322134 1377518616 /nfs/dbraw/zinc/51/86/16/1377518616.db2.gz SBZQKFDERMWJKB-UHFFFAOYSA-N 0 0 335.404 3.278 10 5 EGBERN CCNc1cccnc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001137531006 1377561839 /nfs/dbraw/zinc/56/18/39/1377561839.db2.gz OOXGPHYHAYGUGD-UHFFFAOYSA-N 0 0 334.763 3.005 10 5 EGBERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001138213571 1377690307 /nfs/dbraw/zinc/69/03/07/1377690307.db2.gz SFEXMAIIBGXQLY-SNVBAGLBSA-N 0 0 340.339 3.118 10 5 EGBERN Cc1cc(C)c(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001138248616 1377693770 /nfs/dbraw/zinc/69/37/70/1377693770.db2.gz MURWJYLMGDVSSN-UHFFFAOYSA-N 0 0 346.408 3.105 10 5 EGBERN CC1(C)CC(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001138294535 1377698145 /nfs/dbraw/zinc/69/81/45/1377698145.db2.gz GNYLOKVQTRLYCE-UHFFFAOYSA-N 0 0 329.759 3.136 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C=O)sc1Cl ZINC001141480233 1378332468 /nfs/dbraw/zinc/33/24/68/1378332468.db2.gz RCNMTHDOKJGQPK-UHFFFAOYSA-N 0 0 338.772 3.394 10 5 EGBERN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141910072 1378392866 /nfs/dbraw/zinc/39/28/66/1378392866.db2.gz PFZZYBPYXDYHGG-NVXWUHKLSA-N 0 0 328.372 3.149 10 5 EGBERN O=C(NCc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1Cl ZINC001142932695 1378511707 /nfs/dbraw/zinc/51/17/07/1378511707.db2.gz PRJYFUPGNFLQDI-UHFFFAOYSA-N 0 0 332.743 3.113 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(-c2ccco2)on1 ZINC001143377287 1378589246 /nfs/dbraw/zinc/58/92/46/1378589246.db2.gz VCDKZUZCSCIZAH-UHFFFAOYSA-N 0 0 349.249 3.051 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)c1ccsc1 ZINC001143919581 1378660904 /nfs/dbraw/zinc/66/09/04/1378660904.db2.gz DKABVEPSUDCIKC-UHFFFAOYSA-N 0 0 337.332 3.030 10 5 EGBERN O=C(N[C@H](c1ccccc1)C1CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001144624204 1378751989 /nfs/dbraw/zinc/75/19/89/1378751989.db2.gz ZJNFOIAMWMFKJJ-GFCCVEGCSA-N 0 0 334.763 3.243 10 5 EGBERN Cc1ccccc1[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(C)C ZINC001145051546 1378789582 /nfs/dbraw/zinc/78/95/82/1378789582.db2.gz ANKMBQMSZVDENR-HNNXBMFYSA-N 0 0 328.372 3.008 10 5 EGBERN CCc1cnc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)s1 ZINC001147567102 1379044003 /nfs/dbraw/zinc/04/40/03/1379044003.db2.gz WIBZLSSLZAPOSE-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@]4(C3)CCCOC4)c2c1 ZINC001327702955 1388587734 /nfs/dbraw/zinc/58/77/34/1388587734.db2.gz OVRQSWDMCZXUMW-INIZCTEOSA-N 0 0 348.790 3.198 10 5 EGBERN Cc1nc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)sc1C ZINC001148105966 1379119969 /nfs/dbraw/zinc/11/99/69/1379119969.db2.gz YIVSMUHCDIZCNX-UHFFFAOYSA-N 0 0 343.767 3.391 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC001148264547 1379141597 /nfs/dbraw/zinc/14/15/97/1379141597.db2.gz NZKVRZSUASORNF-NSHDSACASA-N 0 0 332.331 3.168 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327745013 1388592534 /nfs/dbraw/zinc/59/25/34/1388592534.db2.gz BONZFHLGJLXAPX-JLLWLGSASA-N 0 0 325.315 3.459 10 5 EGBERN CC1(C)C[C@@]1(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001148894518 1379292642 /nfs/dbraw/zinc/29/26/42/1379292642.db2.gz GXKLUOSVOLBSIH-OAHLLOKOSA-N 0 0 334.763 3.027 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3c[nH]cn3)cc1)CC2 ZINC001152463991 1379938079 /nfs/dbraw/zinc/93/80/79/1379938079.db2.gz DYJRJLMGCGISOG-UHFFFAOYSA-N 0 0 348.362 3.496 10 5 EGBERN CC(=O)c1ccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1O ZINC001152464976 1379938797 /nfs/dbraw/zinc/93/87/97/1379938797.db2.gz YDZCOLWIZWKJKU-UHFFFAOYSA-N 0 0 340.335 3.014 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2cccnc2c1 ZINC001153494989 1380084525 /nfs/dbraw/zinc/08/45/25/1380084525.db2.gz QNDCSXFPVKXYGS-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCC[C@H]1CCCCO1 ZINC001153816946 1380135378 /nfs/dbraw/zinc/13/53/78/1380135378.db2.gz VIMSCCDGIDERAB-CYBMUJFWSA-N 0 0 340.807 3.256 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2cccc3cnncc32)cc1[N+](=O)[O-] ZINC001154270910 1380243444 /nfs/dbraw/zinc/24/34/44/1380243444.db2.gz FHGNAGWAHVQAKD-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN Cc1cc(F)cc(C)c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001155977829 1380509773 /nfs/dbraw/zinc/50/97/73/1380509773.db2.gz KRKLDAJDSZWONG-UHFFFAOYSA-N 0 0 342.330 3.157 10 5 EGBERN COc1ccc(C(=O)OCc2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001287293616 1381165797 /nfs/dbraw/zinc/16/57/97/1381165797.db2.gz QLMNWCWJRJHNJG-LLVKDONJSA-N 0 0 343.335 3.284 10 5 EGBERN CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C ZINC001158231886 1381168586 /nfs/dbraw/zinc/16/85/86/1381168586.db2.gz MPZRQSCGMSCFOU-UHFFFAOYSA-N 0 0 342.355 3.005 10 5 EGBERN Cc1sccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001287722844 1381366324 /nfs/dbraw/zinc/36/63/24/1381366324.db2.gz IUNRAFYGVRKPDA-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)c1cnccn1 ZINC001158755837 1381384986 /nfs/dbraw/zinc/38/49/86/1381384986.db2.gz AHVKVMMMMJCINY-XYOKQWHBSA-N 0 0 341.371 3.247 10 5 EGBERN C/C(=C/C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)c1cnccn1 ZINC001158755836 1381385172 /nfs/dbraw/zinc/38/51/72/1381385172.db2.gz AHVKVMMMMJCINY-WQLSENKSSA-N 0 0 341.371 3.247 10 5 EGBERN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](F)C1 ZINC001158910624 1381459758 /nfs/dbraw/zinc/45/97/58/1381459758.db2.gz HHNOLEJXXGKFEO-SNVBAGLBSA-N 0 0 346.308 3.144 10 5 EGBERN Cc1ccc2n[nH]nc2c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001159305030 1381758321 /nfs/dbraw/zinc/75/83/21/1381758321.db2.gz SYIWNQSIMJMAPK-UHFFFAOYSA-N 0 0 337.295 3.173 10 5 EGBERN CCOc1nc(C)ccc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288749083 1381923969 /nfs/dbraw/zinc/92/39/69/1381923969.db2.gz IAEPRQNCHSAATR-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN CCn1cc(Cl)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001288990985 1381970462 /nfs/dbraw/zinc/97/04/62/1381970462.db2.gz RYIZCSODXVWGCT-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC001289029935 1381974241 /nfs/dbraw/zinc/97/42/41/1381974241.db2.gz QVKKFBLAHZOHHM-NRFANRHFSA-N 0 0 328.346 3.093 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccon2)cc1 ZINC001289172592 1381978343 /nfs/dbraw/zinc/97/83/43/1381978343.db2.gz QJGSWZKWHGKNLR-UHFFFAOYSA-N 0 0 339.307 3.267 10 5 EGBERN Cc1ccc2ccc(OC(=O)CCn3cc([N+](=O)[O-])cn3)cc2c1 ZINC001289495127 1382001429 /nfs/dbraw/zinc/00/14/29/1382001429.db2.gz VSVQSRJCRCMZOY-UHFFFAOYSA-N 0 0 325.324 3.249 10 5 EGBERN Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001160695893 1382173598 /nfs/dbraw/zinc/17/35/98/1382173598.db2.gz CNKAZCXFEOKZBE-UHFFFAOYSA-N 0 0 341.154 3.440 10 5 EGBERN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293604826 1382313298 /nfs/dbraw/zinc/31/32/98/1382313298.db2.gz NHEGYQFXOFPKII-VHSXEESVSA-N 0 0 325.796 3.481 10 5 EGBERN CC(C)n1ccnc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001294224252 1382429500 /nfs/dbraw/zinc/42/95/00/1382429500.db2.gz TZQMWTJCPLYLJJ-UHFFFAOYSA-N 0 0 330.388 3.125 10 5 EGBERN Cc1cccc(C)c1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001295423375 1382637708 /nfs/dbraw/zinc/63/77/08/1382637708.db2.gz ASBKVUSJAXRDPK-UHFFFAOYSA-N 0 0 333.775 3.377 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2COCc3ccccc32)c1F ZINC001162228530 1382661128 /nfs/dbraw/zinc/66/11/28/1382661128.db2.gz JMZRODVHLSMRBZ-GFCCVEGCSA-N 0 0 348.305 3.183 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162327234 1382730572 /nfs/dbraw/zinc/73/05/72/1382730572.db2.gz RGTPLEKABWJSMD-DYEKYZERSA-N 0 0 334.420 3.209 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H](O)C2)cc1C ZINC001162591265 1382801731 /nfs/dbraw/zinc/80/17/31/1382801731.db2.gz INPSJUSWHMGLSY-QWHCGFSZSA-N 0 0 336.388 3.043 10 5 EGBERN CO[C@@]1(C)C[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1(C)C ZINC001162680275 1382831540 /nfs/dbraw/zinc/83/15/40/1382831540.db2.gz GXTDPPWSHNOTEH-GUYCJALGSA-N 0 0 337.420 3.417 10 5 EGBERN CCCn1cc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001295820441 1382836092 /nfs/dbraw/zinc/83/60/92/1382836092.db2.gz HFEWZHRHUNONDS-INIZCTEOSA-N 0 0 330.388 3.391 10 5 EGBERN COc1cc(OC)cc(OCCNc2cc(C)sc2[N+](=O)[O-])c1 ZINC001162743647 1382855348 /nfs/dbraw/zinc/85/53/48/1382855348.db2.gz UJDKZHLJERSZLC-UHFFFAOYSA-N 0 0 338.385 3.473 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC001295988580 1382892697 /nfs/dbraw/zinc/89/26/97/1382892697.db2.gz STZOHAAVRBRFBD-CYBMUJFWSA-N 0 0 336.351 3.215 10 5 EGBERN COC(=O)CN(CCc1ccccc1)c1cc(C)c([N+](=O)[O-])cc1F ZINC001162936031 1382921440 /nfs/dbraw/zinc/92/14/40/1382921440.db2.gz BOPVESVGFBLALJ-UHFFFAOYSA-N 0 0 346.358 3.264 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCc2c1cccc2F ZINC001163005405 1382945166 /nfs/dbraw/zinc/94/51/66/1382945166.db2.gz LUPLZWRPJJBFPT-UHFFFAOYSA-N 0 0 341.342 3.320 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2c(F)cccc2OC(F)F)c(F)c1 ZINC001163205797 1382992502 /nfs/dbraw/zinc/99/25/02/1382992502.db2.gz XESHTKREIPSERV-UHFFFAOYSA-N 0 0 331.225 3.482 10 5 EGBERN CC(C)Oc1nc(NC[C@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001163402827 1383043779 /nfs/dbraw/zinc/04/37/79/1383043779.db2.gz BLFRMWKGEVFDFX-CQSZACIVSA-N 0 0 337.420 3.378 10 5 EGBERN NC(=O)CC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC001163797675 1383123315 /nfs/dbraw/zinc/12/33/15/1383123315.db2.gz QZIXSBJNJWZOEG-UHFFFAOYSA-N 0 0 325.796 3.486 10 5 EGBERN CCOC(=O)c1cc(CNc2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC001163947659 1383138952 /nfs/dbraw/zinc/13/89/52/1383138952.db2.gz XGZYVBXORONOKU-UHFFFAOYSA-N 0 0 325.708 3.025 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)c2c1 ZINC001164130916 1383159159 /nfs/dbraw/zinc/15/91/59/1383159159.db2.gz FURXBFXPPDAZSX-IMIFBBOLSA-N 0 0 327.384 3.278 10 5 EGBERN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001164212647 1383166485 /nfs/dbraw/zinc/16/64/85/1383166485.db2.gz XLARSSQDSIFBBH-LBPRGKRZSA-N 0 0 339.367 3.180 10 5 EGBERN COC(=O)c1ccc(OCc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC001165960168 1383371335 /nfs/dbraw/zinc/37/13/35/1383371335.db2.gz NEBDHILZBUZFOW-UHFFFAOYSA-N 0 0 329.308 3.163 10 5 EGBERN CCc1n[nH]c(C(=O)N2Cc3cccc(C)c3CC2(C)C)c1[N+](=O)[O-] ZINC001298306309 1383389732 /nfs/dbraw/zinc/38/97/32/1383389732.db2.gz AHVLHQPVPRFBQU-UHFFFAOYSA-N 0 0 342.399 3.166 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CO)c2ccccc21 ZINC001298310504 1383390504 /nfs/dbraw/zinc/39/05/04/1383390504.db2.gz UEOCDMUAGVDEEC-LLVKDONJSA-N 0 0 344.392 3.053 10 5 EGBERN CC(=O)c1cc(COc2cccc(Br)c2[N+](=O)[O-])on1 ZINC001166730933 1383468447 /nfs/dbraw/zinc/46/84/47/1383468447.db2.gz JCXGKDKNKSRSCP-UHFFFAOYSA-N 0 0 341.117 3.127 10 5 EGBERN Cc1ccc(C(=O)NCc2ccccc2-c2ncc[nH]2)cc1[N+](=O)[O-] ZINC001299197237 1383483130 /nfs/dbraw/zinc/48/31/30/1383483130.db2.gz ZEQXLKRUJXYPHM-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCOc2ccccc21 ZINC001299931772 1383635254 /nfs/dbraw/zinc/63/52/54/1383635254.db2.gz FFMGZRLAPUOAEL-GFCCVEGCSA-N 0 0 348.305 3.056 10 5 EGBERN CC(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)(C1CC1)C1CC1 ZINC001167513857 1383655814 /nfs/dbraw/zinc/65/58/14/1383655814.db2.gz KCACSLNOYHFOBH-UHFFFAOYSA-N 0 0 341.770 3.278 10 5 EGBERN Nc1c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001300908784 1383685601 /nfs/dbraw/zinc/68/56/01/1383685601.db2.gz IKJXWHQBZCDIHS-VGMNWLOBSA-N 0 0 341.770 3.136 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NOc2ccccc2F)c1F ZINC001303332748 1383794030 /nfs/dbraw/zinc/79/40/30/1383794030.db2.gz LQOZDQXGILRXIQ-UHFFFAOYSA-N 0 0 326.230 3.044 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001303573521 1383807353 /nfs/dbraw/zinc/80/73/53/1383807353.db2.gz PPSTVEPVZKSMKD-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001304954120 1383858669 /nfs/dbraw/zinc/85/86/69/1383858669.db2.gz UIOBTPFBMMTLJF-HIFRSBDPSA-N 0 0 339.399 3.276 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(O)ccc3C2)c1 ZINC001305917489 1383863650 /nfs/dbraw/zinc/86/36/50/1383863650.db2.gz LPVOGLCENQSDRZ-UHFFFAOYSA-N 0 0 344.392 3.221 10 5 EGBERN Cc1cc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC001306842592 1383909833 /nfs/dbraw/zinc/90/98/33/1383909833.db2.gz BRWYSNXHZKXTMA-UHFFFAOYSA-N 0 0 345.786 3.378 10 5 EGBERN O=C(Nc1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1)C1CC1 ZINC001306908667 1383919059 /nfs/dbraw/zinc/91/90/59/1383919059.db2.gz MVSQAJFZKLFXAY-UHFFFAOYSA-N 0 0 345.330 3.318 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@H](O)c1ccccc1 ZINC001306914091 1383919693 /nfs/dbraw/zinc/91/96/93/1383919693.db2.gz BIYXNIIRHNQQJN-INIZCTEOSA-N 0 0 343.770 3.364 10 5 EGBERN O=c1[nH]ccc(NCc2ccc(F)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC001306929912 1383922234 /nfs/dbraw/zinc/92/22/34/1383922234.db2.gz GLANZBPIROCJLH-UHFFFAOYSA-N 0 0 331.225 3.465 10 5 EGBERN CC[C@@H](C)NC(=O)c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC001306930571 1383922579 /nfs/dbraw/zinc/92/25/79/1383922579.db2.gz BTVPJVJMTCCOCW-SNVBAGLBSA-N 0 0 334.401 3.192 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccnc(OCC(F)(F)F)c2)c(F)c1 ZINC001306931326 1383922819 /nfs/dbraw/zinc/92/28/19/1383922819.db2.gz JGXBVPGJHAHHCC-UHFFFAOYSA-N 0 0 346.240 3.077 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[C@@H]1OC ZINC001307079992 1383937704 /nfs/dbraw/zinc/93/77/04/1383937704.db2.gz GHAOZNQFQLECAI-RNCFNFMXSA-N 0 0 342.779 3.262 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H]2CCCC[C@@H]21 ZINC001307077763 1383937811 /nfs/dbraw/zinc/93/78/11/1383937811.db2.gz UWKRYJRENOPHLY-OPRDCNLKSA-N 0 0 332.326 3.362 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c(F)c1 ZINC001307086247 1383938122 /nfs/dbraw/zinc/93/81/22/1383938122.db2.gz SRWLTRYYXOOQHI-GFCCVEGCSA-N 0 0 329.690 3.067 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1Nc1ccc(OCCCO)cc1)CCCC2 ZINC001307115649 1383942080 /nfs/dbraw/zinc/94/20/80/1383942080.db2.gz UOYLYMUMWXMTQA-UHFFFAOYSA-N 0 0 343.383 3.373 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCN3CCOc4cccc2c43)c(Cl)c1 ZINC001168605837 1383947299 /nfs/dbraw/zinc/94/72/99/1383947299.db2.gz ZRJCXOCCJDXCJW-UHFFFAOYSA-N 0 0 345.786 3.467 10 5 EGBERN O=Cc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2CO)c(F)c1F ZINC001307206733 1383957143 /nfs/dbraw/zinc/95/71/43/1383957143.db2.gz TVDLKELFZNOZHC-UHFFFAOYSA-N 0 0 327.214 3.109 10 5 EGBERN C[C@@H]1Cc2n[nH]cc2CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC001307210020 1383957973 /nfs/dbraw/zinc/95/79/73/1383957973.db2.gz XGFBIOPNKZFVFA-SECBINFHSA-N 0 0 338.314 3.118 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CCn2nc(C(F)(F)F)cc2C1 ZINC001307222474 1383959707 /nfs/dbraw/zinc/95/97/07/1383959707.db2.gz JTSJGTIZWWVOIC-UHFFFAOYSA-N 0 0 346.696 3.484 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001307226809 1383961293 /nfs/dbraw/zinc/96/12/93/1383961293.db2.gz FPZOOTXWNNTHTG-CABCVRRESA-N 0 0 349.431 3.420 10 5 EGBERN COC(=O)c1csc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC001307300326 1383968224 /nfs/dbraw/zinc/96/82/24/1383968224.db2.gz IZPOXHKCRZPGLL-UHFFFAOYSA-N 0 0 343.364 3.355 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC001307661297 1384010080 /nfs/dbraw/zinc/01/00/80/1384010080.db2.gz PRXLBAVRDBTYOV-GXTWGEPZSA-N 0 0 330.306 3.457 10 5 EGBERN O=C(N[C@H]1CC12CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313248924 1384405281 /nfs/dbraw/zinc/40/52/81/1384405281.db2.gz AWOQNLVBEUWGMR-ZBFHGGJFSA-N 0 0 329.400 3.426 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C ZINC001313559959 1384426107 /nfs/dbraw/zinc/42/61/07/1384426107.db2.gz CODCACVKDQFEML-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc(NCC3CC3)nc2)cc1[N+](=O)[O-] ZINC001171891712 1384672414 /nfs/dbraw/zinc/67/24/14/1384672414.db2.gz ZLSRXGNCTKLTSH-UHFFFAOYSA-N 0 0 340.383 3.050 10 5 EGBERN COC(=O)[C@](C)(NC[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001175139793 1385201292 /nfs/dbraw/zinc/20/12/92/1385201292.db2.gz HSNMPWBFNUQFAL-QWQRMKEZSA-N 0 0 334.416 3.399 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1[N+](=O)[O-] ZINC001175641467 1385360576 /nfs/dbraw/zinc/36/05/76/1385360576.db2.gz JSYFVPBBLTXLRN-UHFFFAOYSA-N 0 0 347.350 3.008 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001176045516 1385470673 /nfs/dbraw/zinc/47/06/73/1385470673.db2.gz JFJBFEDSBTYRBC-GOSISDBHSA-N 0 0 325.368 3.328 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC3(CC3)Oc3ccccc32)c([N+](=O)[O-])c1 ZINC001176820103 1385713126 /nfs/dbraw/zinc/71/31/26/1385713126.db2.gz SRAUPTVWLUUWMC-UHFFFAOYSA-N 0 0 341.323 3.435 10 5 EGBERN CC(C)C1(O)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001176922000 1385744574 /nfs/dbraw/zinc/74/45/74/1385744574.db2.gz WSBDHWSPCSPRCD-UHFFFAOYSA-N 0 0 345.399 3.233 10 5 EGBERN CCCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001320064341 1386483901 /nfs/dbraw/zinc/48/39/01/1386483901.db2.gz SBHRQZFYHRNTTB-UHFFFAOYSA-N 0 0 335.404 3.325 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001179687952 1386554137 /nfs/dbraw/zinc/55/41/37/1386554137.db2.gz DSJSCVWHJQZFGR-HNNXBMFYSA-N 0 0 339.395 3.314 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC(F)(F)F)cc2)n1 ZINC001320191269 1386554956 /nfs/dbraw/zinc/55/49/56/1386554956.db2.gz GUKABEYIAGCQKA-UHFFFAOYSA-N 0 0 346.290 3.193 10 5 EGBERN CC[C@@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])cnc3N)nc21 ZINC001179842215 1386604347 /nfs/dbraw/zinc/60/43/47/1386604347.db2.gz WBLYUOBLPWQLLH-MRVPVSSYSA-N 0 0 347.400 3.111 10 5 EGBERN Cc1ccc(NC(=O)CCc2nc3ccccc3o2)c(N)c1[N+](=O)[O-] ZINC001179875195 1386614687 /nfs/dbraw/zinc/61/46/87/1386614687.db2.gz NLGZPDTYYKHBAW-UHFFFAOYSA-N 0 0 340.339 3.198 10 5 EGBERN Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)c(N)c1[N+](=O)[O-] ZINC001179875326 1386614743 /nfs/dbraw/zinc/61/47/43/1386614743.db2.gz QVFIUKIBPFQGGP-UHFFFAOYSA-N 0 0 329.331 3.295 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329190611 1389014218 /nfs/dbraw/zinc/01/42/18/1389014218.db2.gz JBUBAGGUDQSBEA-VHDGCEQUSA-N 0 0 329.400 3.099 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC001329555219 1389154752 /nfs/dbraw/zinc/15/47/52/1389154752.db2.gz OKDQOGXQBVAZKS-MRXNPFEDSA-N 0 0 329.400 3.453 10 5 EGBERN CCC[C@H](C)[C@@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330060110 1389296473 /nfs/dbraw/zinc/29/64/73/1389296473.db2.gz QSADFMDASQMVMC-TVQRCGJNSA-N 0 0 338.795 3.400 10 5 EGBERN C/C(=C/C(=O)O[C@H]1CCCc2nccnc21)c1ccc([N+](=O)[O-])cc1 ZINC001330649934 1389482945 /nfs/dbraw/zinc/48/29/45/1389482945.db2.gz BAXGQOAKKWUAGG-JNSOCZORSA-N 0 0 339.351 3.409 10 5 EGBERN COC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC(F)(F)CC1 ZINC001330984161 1389586299 /nfs/dbraw/zinc/58/62/99/1389586299.db2.gz RTNIGZYTYMQXLM-UHFFFAOYSA-N 0 0 340.326 3.032 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC001331587713 1389815682 /nfs/dbraw/zinc/81/56/82/1389815682.db2.gz JOVJLXMJWPADQY-IUODEOHRSA-N 0 0 328.368 3.388 10 5 EGBERN COC(C)(C)c1noc(CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001331966406 1389928766 /nfs/dbraw/zinc/92/87/66/1389928766.db2.gz USIPLTPKOYKFEC-UHFFFAOYSA-N 0 0 325.752 3.298 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC001339585810 1390077382 /nfs/dbraw/zinc/07/73/82/1390077382.db2.gz HBNGMNWIFCOYJQ-LDYMZIIASA-N 0 0 331.294 3.049 10 5 EGBERN CC(C)O[C@]1(COc2cc(F)c(Cl)cc2[N+](=O)[O-])CCOC1 ZINC001333294393 1390278022 /nfs/dbraw/zinc/27/80/22/1390278022.db2.gz ZIKVCWZONTZJPW-CQSZACIVSA-N 0 0 333.743 3.350 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333803227 1390408640 /nfs/dbraw/zinc/40/86/40/1390408640.db2.gz RUKGIEDIVLVCFD-JGPRNRPPSA-N 0 0 325.315 3.377 10 5 EGBERN O=[N+]([O-])c1ccc(CSc2cccnn2)c(Br)c1 ZINC001342933797 1390675001 /nfs/dbraw/zinc/67/50/01/1390675001.db2.gz ZEUDIRHLTOZKNA-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN C[C@H](CN1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)c1ccc(O)cc1 ZINC001335536092 1390700407 /nfs/dbraw/zinc/70/04/07/1390700407.db2.gz PRUBESFENFUIHV-GFCCVEGCSA-N 0 0 326.352 3.135 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001343864697 1390740628 /nfs/dbraw/zinc/74/06/28/1390740628.db2.gz FICORPWMRNHDLD-UHFFFAOYSA-N 0 0 347.289 3.322 10 5 EGBERN Cc1ccccc1C1(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001343932475 1390745139 /nfs/dbraw/zinc/74/51/39/1390745139.db2.gz VWMOPXGPABEOPS-UHFFFAOYSA-N 0 0 341.367 3.078 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1cc(C2CC2)n[nH]1 ZINC001344134809 1390757759 /nfs/dbraw/zinc/75/77/59/1390757759.db2.gz RCAONDFOXRFGBH-UHFFFAOYSA-N 0 0 333.319 3.010 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001344485220 1390794512 /nfs/dbraw/zinc/79/45/12/1390794512.db2.gz OGMSCBNDXQJMCC-WCBMZHEXSA-N 0 0 347.293 3.408 10 5 EGBERN CCn1cncc1COC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345608876 1390868472 /nfs/dbraw/zinc/86/84/72/1390868472.db2.gz AYXIQTAXBCWUOA-UHFFFAOYSA-N 0 0 337.763 3.141 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001346129806 1390909855 /nfs/dbraw/zinc/90/98/55/1390909855.db2.gz VRPANRKREJTGEV-RRQGHBQHSA-N 0 0 347.415 3.399 10 5 EGBERN COc1ccc(NC(=O)NCC2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC001346288934 1390920006 /nfs/dbraw/zinc/92/00/06/1390920006.db2.gz PRTQJXWNCGWLRP-UHFFFAOYSA-N 0 0 325.340 3.253 10 5 EGBERN O=C(N1CC[C@@H]1[C@H]1CCCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001347630750 1391102953 /nfs/dbraw/zinc/10/29/53/1391102953.db2.gz PDYWONQOEWGOHR-WMLDXEAASA-N 0 0 344.411 3.044 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001347852053 1391135367 /nfs/dbraw/zinc/13/53/67/1391135367.db2.gz AEKDOOKESGDDNY-UHFFFAOYSA-N 0 0 332.337 3.298 10 5 EGBERN Cc1ccc(NC(=O)[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC001348415151 1391216000 /nfs/dbraw/zinc/21/60/00/1391216000.db2.gz DQYCJGREEIZWKM-MRXNPFEDSA-N 0 0 328.368 3.398 10 5 EGBERN Cc1ccccc1-n1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)nn1 ZINC001348439310 1391219738 /nfs/dbraw/zinc/21/97/38/1391219738.db2.gz ULFYEFRLQNXSSG-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001348764454 1391263835 /nfs/dbraw/zinc/26/38/35/1391263835.db2.gz ILSUZYJDEHFIBT-IRXDYDNUSA-N 0 0 344.342 3.072 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](Sc3ccccc3)C2)n1 ZINC001348766953 1391264234 /nfs/dbraw/zinc/26/42/34/1391264234.db2.gz URKLTTAIALDEKC-BJHJDKERSA-N 0 0 347.396 3.291 10 5 EGBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-n1cncn1 ZINC001349294002 1391318053 /nfs/dbraw/zinc/31/80/53/1391318053.db2.gz OIEYFHRBULGEDF-UHFFFAOYSA-N 0 0 344.714 3.048 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C2SCCS2)cc1 ZINC001349804966 1391369356 /nfs/dbraw/zinc/36/93/56/1391369356.db2.gz DCEROFMYPVJRER-GFCCVEGCSA-N 0 0 327.427 3.377 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccnc(-n2cccc2)c1 ZINC001350021587 1391399062 /nfs/dbraw/zinc/39/90/62/1391399062.db2.gz YVSPSGHMYZLRBU-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC001350104364 1391412689 /nfs/dbraw/zinc/41/26/89/1391412689.db2.gz CBFSUWMRPWBZML-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN O=C(Cc1cccc2cnccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001350389738 1391457634 /nfs/dbraw/zinc/45/76/34/1391457634.db2.gz ULHRNNOMQLTOAQ-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001351175623 1391607101 /nfs/dbraw/zinc/60/71/01/1391607101.db2.gz DSODQIDPAXRYGP-UHFFFAOYSA-N 0 0 329.312 3.396 10 5 EGBERN Cn1c(C(=O)Oc2ccc(C3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC001351532553 1391649423 /nfs/dbraw/zinc/64/94/23/1391649423.db2.gz SMMDNARXFRGNLY-UHFFFAOYSA-N 0 0 330.340 3.047 10 5 EGBERN CS[C@@H]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351781815 1391689759 /nfs/dbraw/zinc/68/97/59/1391689759.db2.gz NKKSDZUUZJKBBN-HTQZYQBOSA-N 0 0 338.355 3.067 10 5 EGBERN Nc1c(C(=O)NC(C2CC2)C2CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001351965778 1391727384 /nfs/dbraw/zinc/72/73/84/1391727384.db2.gz VNXCHQADGDTYPJ-UHFFFAOYSA-N 0 0 325.368 3.249 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001352022220 1391746540 /nfs/dbraw/zinc/74/65/40/1391746540.db2.gz IXNFSRWUHLXUFF-LSDHHAIUSA-N 0 0 335.379 3.206 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC001352035857 1391748904 /nfs/dbraw/zinc/74/89/04/1391748904.db2.gz UWQGABXGDLHFCD-ROUUACIJSA-N 0 0 340.379 3.241 10 5 EGBERN COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001352166504 1391767407 /nfs/dbraw/zinc/76/74/07/1391767407.db2.gz GMOMCKBRSHGBAN-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001352661783 1391829771 /nfs/dbraw/zinc/82/97/71/1391829771.db2.gz UFHSFNVGKCDBLI-GFCCVEGCSA-N 0 0 336.351 3.355 10 5 EGBERN O=C([C@H]1Cc2ccc(Cl)cc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353900757 1392106717 /nfs/dbraw/zinc/10/67/17/1392106717.db2.gz JMOCYQABCJVKHU-HNNXBMFYSA-N 0 0 328.755 3.477 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC001353962761 1392110199 /nfs/dbraw/zinc/11/01/99/1392110199.db2.gz ILVJWIUWUQKWSN-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CCOc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC ZINC001354477082 1392146864 /nfs/dbraw/zinc/14/68/64/1392146864.db2.gz BCAMWVKZTMZFGO-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001354569370 1392153162 /nfs/dbraw/zinc/15/31/62/1392153162.db2.gz RSTDPWLFKOIADT-CYBMUJFWSA-N 0 0 327.384 3.276 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1coc2c1C(=O)CCC2 ZINC001354577482 1392153835 /nfs/dbraw/zinc/15/38/35/1392153835.db2.gz OWJIOJVBHPZLQQ-UHFFFAOYSA-N 0 0 336.250 3.237 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001354669632 1392160012 /nfs/dbraw/zinc/16/00/12/1392160012.db2.gz HMFWHELHDYMHIT-CXOGBFNASA-N 0 0 340.383 3.320 10 5 EGBERN Cn1c2ccccc2sc1=NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001354822333 1392171102 /nfs/dbraw/zinc/17/11/02/1392171102.db2.gz WUWXRWPIJAFCSU-UHFFFAOYSA-N 0 0 341.392 3.208 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001355064721 1392190459 /nfs/dbraw/zinc/19/04/59/1392190459.db2.gz DAELPXQXSMKBJK-QGZVFWFLSA-N 0 0 339.351 3.343 10 5 EGBERN CCCC1(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001480902960 1393009058 /nfs/dbraw/zinc/00/90/58/1393009058.db2.gz OKBHLZVMYDZXQK-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC1(C)C)C1CC1 ZINC001503413154 1396252696 /nfs/dbraw/zinc/25/26/96/1396252696.db2.gz OARSFKRGEFDIMV-ZDUSSCGKSA-N 0 0 341.415 3.498 10 5 EGBERN CN(CCNC(=O)C12CCC(CC1)CC2)Cc1cccc([N+](=O)[O-])c1 ZINC001492865570 1396327059 /nfs/dbraw/zinc/32/70/59/1396327059.db2.gz BWBBOFWSDLKYHR-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CC[N@H+](CCNC(=O)CC(C)=C(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492999853 1396331336 /nfs/dbraw/zinc/33/13/36/1396331336.db2.gz CSNWWGXKKIAERB-UHFFFAOYSA-N 0 0 333.432 3.279 10 5 EGBERN Cc1ccc(N(C)CCNC(=O)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001690127573 1404321539 /nfs/dbraw/zinc/32/15/39/1404321539.db2.gz TXGPVMAIQSSAPV-UHFFFAOYSA-N 0 0 345.374 3.217 10 5 EGBERN CCC(C)(C)CC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001699713218 1413126556 /nfs/dbraw/zinc/12/65/56/1413126556.db2.gz DXRKGMFKUVVMQL-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN CCC1(C(=O)N(C)C2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001699721143 1413133461 /nfs/dbraw/zinc/13/34/61/1413133461.db2.gz QHDFCQFVRFBREM-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CC1(C)C ZINC001707892890 1417388313 /nfs/dbraw/zinc/38/83/13/1417388313.db2.gz MEGYJTVKYNFXMZ-OAHLLOKOSA-N 0 0 341.415 3.104 10 5 EGBERN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC)CCC1 ZINC001708879286 1417411408 /nfs/dbraw/zinc/41/14/08/1417411408.db2.gz MPBDGBBXORDOCR-UHFFFAOYSA-N 0 0 345.403 3.431 10 5 EGBERN CCCCn1c(CC)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001709628574 1417444628 /nfs/dbraw/zinc/44/46/28/1417444628.db2.gz TYKBMQMQLZTCKL-UHFFFAOYSA-N 0 0 331.420 3.228 10 5 EGBERN CCC(CC)C(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001718016146 1421773268 /nfs/dbraw/zinc/77/32/68/1421773268.db2.gz YYMDJDGCOVEZCI-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CC1 ZINC001728111992 1427138089 /nfs/dbraw/zinc/13/80/89/1427138089.db2.gz AVQYTKADEIJEDC-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H]1C ZINC001728386313 1427147446 /nfs/dbraw/zinc/14/74/46/1427147446.db2.gz MIRQHYAZBOOTCL-GXTWGEPZSA-N 0 0 329.404 3.356 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@H]1C ZINC001730965095 1427185806 /nfs/dbraw/zinc/18/58/06/1427185806.db2.gz KMLOOGDNBRKAMH-TZMCWYRMSA-N 0 0 345.403 3.287 10 5 EGBERN Cc1cc(C)cc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001731794602 1427944491 /nfs/dbraw/zinc/94/44/91/1427944491.db2.gz RLEJZBFDWNOPNT-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC)C1 ZINC001745660526 1439806700 /nfs/dbraw/zinc/80/67/00/1439806700.db2.gz PBBFDVYQZZYKDI-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)SC ZINC001765916103 1441398985 /nfs/dbraw/zinc/39/89/85/1441398985.db2.gz BKVPTCAKSDAGLT-GFCCVEGCSA-N 0 0 349.460 3.451 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000368384357 168349736 /nfs/dbraw/zinc/34/97/36/168349736.db2.gz VGIDTRANKPBWMU-QGZVFWFLSA-N 0 0 344.392 3.318 10 5 EGBERN Cc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1F ZINC000004715979 210257218 /nfs/dbraw/zinc/25/72/18/210257218.db2.gz NVNKMNIPLMVRQS-UHFFFAOYSA-N 0 0 343.314 3.439 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356746183 290639556 /nfs/dbraw/zinc/63/95/56/290639556.db2.gz LCFYNTGTHBYKLW-VNHYZAJKSA-N 0 0 331.416 3.359 10 5 EGBERN COc1cc(C(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000049945570 214036099 /nfs/dbraw/zinc/03/60/99/214036099.db2.gz RYMPPRJPQMQMIH-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cccc2c1OCO2 ZINC000058177779 214494878 /nfs/dbraw/zinc/49/48/78/214494878.db2.gz LYVTXGOZBBOCRU-VOTSOKGWSA-N 0 0 342.307 3.066 10 5 EGBERN CC[C@@H](NC(=O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177812149 529598391 /nfs/dbraw/zinc/59/83/91/529598391.db2.gz VCORRVHJIGRYAW-QGZVFWFLSA-N 0 0 328.368 3.379 10 5 EGBERN CC[C@H](NCc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181540847 529637022 /nfs/dbraw/zinc/63/70/22/529637022.db2.gz FLYCWNLCJXLJGI-ZDUSSCGKSA-N 0 0 328.328 3.479 10 5 EGBERN CCn1nnc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000064979934 214819372 /nfs/dbraw/zinc/81/93/72/214819372.db2.gz ABTWSBLLTYDGPN-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN CC(C)COc1ncccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000102980529 219245877 /nfs/dbraw/zinc/24/58/77/219245877.db2.gz HHHVUVKUKVGVJD-UHFFFAOYSA-N 0 0 329.356 3.301 10 5 EGBERN Cc1cc(C)n(-c2ncnc(NCc3ccc(C)cc3)c2[N+](=O)[O-])n1 ZINC000040650779 213363642 /nfs/dbraw/zinc/36/36/42/213363642.db2.gz YXJNXYFSLRNBPF-UHFFFAOYSA-N 0 0 338.371 3.108 10 5 EGBERN Nc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000040599699 213358651 /nfs/dbraw/zinc/35/86/51/213358651.db2.gz YQHSIAYMPNZOOZ-UHFFFAOYSA-N 0 0 335.367 3.174 10 5 EGBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1N1CCc2ccccc21 ZINC000040586127 213354691 /nfs/dbraw/zinc/35/46/91/213354691.db2.gz DFMCYMRGXOAEMY-UHFFFAOYSA-N 0 0 334.339 3.218 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC000371841772 168663884 /nfs/dbraw/zinc/66/38/84/168663884.db2.gz VLJQLEJTEAMWGG-VSOYFRJCSA-N 0 0 344.411 3.273 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H](COc2ncccc2[N+](=O)[O-])C1 ZINC000040434986 213304082 /nfs/dbraw/zinc/30/40/82/213304082.db2.gz PNXXLHDZUGDKKO-LBPRGKRZSA-N 0 0 337.376 3.016 10 5 EGBERN CCc1noc(CC)c1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184806261 235497690 /nfs/dbraw/zinc/49/76/90/235497690.db2.gz NIFLJUVXFIXGBL-ZRDIBKRKSA-N 0 0 343.383 3.427 10 5 EGBERN O=C(NCCc1ccco1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037975134 213178546 /nfs/dbraw/zinc/17/85/46/213178546.db2.gz HHBCIZIVWTULHF-UHFFFAOYSA-N 0 0 329.139 3.467 10 5 EGBERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000033010751 212887777 /nfs/dbraw/zinc/88/77/77/212887777.db2.gz NUSIXGWYZRVMGA-JTQLQIEISA-N 0 0 338.360 3.311 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCOc4ccccc43)n2)c1 ZINC000073614802 216399931 /nfs/dbraw/zinc/39/99/31/216399931.db2.gz NNTYJLRBBTVBQO-UHFFFAOYSA-N 0 0 338.323 3.044 10 5 EGBERN COc1cccc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000024992758 212452654 /nfs/dbraw/zinc/45/26/54/212452654.db2.gz OJMJJHZBUVKZIE-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000108946663 219934508 /nfs/dbraw/zinc/93/45/08/219934508.db2.gz IXQMDEFQCJPNRL-CYBMUJFWSA-N 0 0 347.806 3.143 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000023512245 212380935 /nfs/dbraw/zinc/38/09/35/212380935.db2.gz CJDNDFWOILFMRI-STQMWFEESA-N 0 0 344.367 3.248 10 5 EGBERN CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000193824060 240323732 /nfs/dbraw/zinc/32/37/32/240323732.db2.gz NTCBQWZRDZTIPM-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN Cc1cc(NCc2ccnn2C)c(Br)cc1[N+](=O)[O-] ZINC000235861679 242285081 /nfs/dbraw/zinc/28/50/81/242285081.db2.gz DTRHITCGJYHNQZ-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC(=O)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000021125482 212209972 /nfs/dbraw/zinc/20/99/72/212209972.db2.gz GHMQAFIYYUWKEK-UHFFFAOYSA-N 0 0 334.715 3.426 10 5 EGBERN Cc1c(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845091 243324517 /nfs/dbraw/zinc/32/45/17/243324517.db2.gz VIAHIJRQWNPSBM-KDOFPFPSSA-N 0 0 348.349 3.489 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(Cl)nc1 ZINC000080910134 217339811 /nfs/dbraw/zinc/33/98/11/217339811.db2.gz UJPKZLAEQWAWQA-NSHDSACASA-N 0 0 348.790 3.102 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000265287148 247373300 /nfs/dbraw/zinc/37/33/00/247373300.db2.gz QOJMALNFGJXUNT-HNNXBMFYSA-N 0 0 330.340 3.239 10 5 EGBERN COc1ccc(C(=O)N2CC=C(c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000378603600 169145617 /nfs/dbraw/zinc/14/56/17/169145617.db2.gz DKPZUXIAHRVUNV-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN Cc1c(CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cccc1[N+](=O)[O-] ZINC000408411378 169175852 /nfs/dbraw/zinc/17/58/52/169175852.db2.gz GUYZAXWDJQTPJG-KWOWKCNFSA-N 0 0 328.412 3.483 10 5 EGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000012801885 211460456 /nfs/dbraw/zinc/46/04/56/211460456.db2.gz MAITZAIRWBHPRL-LBPRGKRZSA-N 0 0 326.352 3.490 10 5 EGBERN COc1ccc(-c2cc(COc3cccnc3[N+](=O)[O-])on2)cc1 ZINC000011387724 211215132 /nfs/dbraw/zinc/21/51/32/211215132.db2.gz FMIQKCRKLUHXPJ-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 ZINC000009513804 211095653 /nfs/dbraw/zinc/09/56/53/211095653.db2.gz OTQXFMKIIWBVQS-SOFGYWHQSA-N 0 0 330.296 3.016 10 5 EGBERN O=[N+]([O-])c1cc(CNc2ccccc2N2CCC(CO)CC2)cs1 ZINC000095416348 218354951 /nfs/dbraw/zinc/35/49/51/218354951.db2.gz CHBPRZACKLCCCX-UHFFFAOYSA-N 0 0 347.440 3.477 10 5 EGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000005869731 210551439 /nfs/dbraw/zinc/55/14/39/210551439.db2.gz IYJHCHPYAOCVSZ-QWHCGFSZSA-N 0 0 326.352 3.340 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3ncc[nH]3)no2)cc(C(F)(F)F)c1 ZINC000349761590 285081206 /nfs/dbraw/zinc/08/12/06/285081206.db2.gz VLFPLZGQUOMDPO-UHFFFAOYSA-N 0 0 325.206 3.054 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cs1 ZINC000005101665 210389403 /nfs/dbraw/zinc/38/94/03/210389403.db2.gz NZLSLCFDYCABBL-UHFFFAOYSA-N 0 0 339.398 3.099 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2ccccc2)c1 ZINC000004940424 210331268 /nfs/dbraw/zinc/33/12/68/210331268.db2.gz WWEDAYMTALFWQA-UHFFFAOYSA-N 0 0 349.346 3.057 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2COc3ccccc32)c(Br)c1 ZINC000093434138 285183740 /nfs/dbraw/zinc/18/37/40/285183740.db2.gz DSIVFNSJWYOHMV-NSHDSACASA-N 0 0 336.145 3.298 10 5 EGBERN Cc1cc(NC(=O)CC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161831919 140975561 /nfs/dbraw/zinc/97/55/61/140975561.db2.gz PPMAGDBOGFXUCV-GFCCVEGCSA-N 0 0 329.356 3.207 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000337828315 141062946 /nfs/dbraw/zinc/06/29/46/141062946.db2.gz URSNWQBIIQSBRC-ZDUSSCGKSA-N 0 0 334.351 3.367 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000337909206 141071472 /nfs/dbraw/zinc/07/14/72/141071472.db2.gz GJOOONZIDBTPRD-NSHDSACASA-N 0 0 327.178 3.194 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnc2ccccc2c1 ZINC000338140373 141101204 /nfs/dbraw/zinc/10/12/04/141101204.db2.gz AXAWSYQSAZHUQY-UHFFFAOYSA-N 0 0 349.390 3.387 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Br)o1)c1ccccc1[N+](=O)[O-] ZINC000341264557 141147398 /nfs/dbraw/zinc/14/73/98/141147398.db2.gz QRLVCKYMDGJGAP-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN COc1cc(NCC2([C@H](C)CCO)CCC2)c([N+](=O)[O-])cc1F ZINC000342792376 141148265 /nfs/dbraw/zinc/14/82/65/141148265.db2.gz WFYGFSPQHBSUFQ-LLVKDONJSA-N 0 0 326.368 3.343 10 5 EGBERN CCc1ccc([C@@H](NCc2ccnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346483633 141204111 /nfs/dbraw/zinc/20/41/11/141204111.db2.gz IYGRJSXQDGVQAO-SFHVURJKSA-N 0 0 340.383 3.363 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000347942901 141222391 /nfs/dbraw/zinc/22/23/91/141222391.db2.gz VNQIPACZVASTPN-YGRLFVJLSA-N 0 0 338.791 3.196 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2noc(C3CC3)n2)c(OC(F)F)c1 ZINC000354579332 141308963 /nfs/dbraw/zinc/30/89/63/141308963.db2.gz ONGCNGPNHWYXSH-UHFFFAOYSA-N 0 0 326.259 3.069 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000357924511 141359426 /nfs/dbraw/zinc/35/94/26/141359426.db2.gz XPGQUTDIQSTAHT-UHFFFAOYSA-N 0 0 344.323 3.283 10 5 EGBERN Cc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000171611387 144007627 /nfs/dbraw/zinc/00/76/27/144007627.db2.gz OVNSMYNSUWYHAS-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171807854 144011319 /nfs/dbraw/zinc/01/13/19/144011319.db2.gz ADVCJZXZKJXBGE-UHFFFAOYSA-N 0 0 340.383 3.476 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1F ZINC000172984787 144033106 /nfs/dbraw/zinc/03/31/06/144033106.db2.gz NMHSDCKPSWBJGS-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1cccc(N2CCC(Nc3nc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000178228052 144066945 /nfs/dbraw/zinc/06/69/45/144066945.db2.gz FBZWEORIRBNGAS-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000178895142 144076642 /nfs/dbraw/zinc/07/66/42/144076642.db2.gz XXERXXLLNSFUFO-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN Cn1cc([C@H](NCc2csc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184606661 144095827 /nfs/dbraw/zinc/09/58/27/144095827.db2.gz DVSHFSRMVWXEOR-MRXNPFEDSA-N 0 0 346.387 3.408 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000185943200 144122546 /nfs/dbraw/zinc/12/25/46/144122546.db2.gz LJWNEZARNJMYCI-UHFFFAOYSA-N 0 0 341.342 3.246 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](C2CCCCC2)C1 ZINC000363859974 144372553 /nfs/dbraw/zinc/37/25/53/144372553.db2.gz SXZPTSRDLXXDGY-MRXNPFEDSA-N 0 0 336.363 3.155 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000369996408 144464084 /nfs/dbraw/zinc/46/40/84/144464084.db2.gz MWSNMDSKHQBPME-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000341172494 155206796 /nfs/dbraw/zinc/20/67/96/155206796.db2.gz GNLCLMDQGSSRCM-NWDGAFQWSA-N 0 0 332.306 3.293 10 5 EGBERN C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341301641 155235047 /nfs/dbraw/zinc/23/50/47/155235047.db2.gz YNHMUBNNVJCNFX-NWDGAFQWSA-N 0 0 332.331 3.379 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2Cl)CC2CC2)n1 ZINC000341352473 155249463 /nfs/dbraw/zinc/24/94/63/155249463.db2.gz CWEBSIDFQAZQMM-UHFFFAOYSA-N 0 0 348.790 3.034 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccnc1 ZINC000115227481 152000484 /nfs/dbraw/zinc/00/04/84/152000484.db2.gz OSDRFMPAYXTOIX-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000118261335 152133457 /nfs/dbraw/zinc/13/34/57/152133457.db2.gz OGIOJHQJFJNCHX-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CC(C)n1cnnc1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000118861368 152159240 /nfs/dbraw/zinc/15/92/40/152159240.db2.gz JETAFZUMBXLBLH-CYBMUJFWSA-N 0 0 335.433 3.208 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000120728049 152295715 /nfs/dbraw/zinc/29/57/15/152295715.db2.gz BHRPHFBMHMBMAI-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341558490 155354186 /nfs/dbraw/zinc/35/41/86/155354186.db2.gz ZJRFASOIGAJGDV-KSSFIOAISA-N 0 0 347.415 3.176 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341558493 155354252 /nfs/dbraw/zinc/35/42/52/155354252.db2.gz ZJRFASOIGAJGDV-RDTXWAMCSA-N 0 0 347.415 3.176 10 5 EGBERN COc1ccc(-c2nc(CNc3ccc(F)c([N+](=O)[O-])c3)no2)cc1 ZINC000176900362 152946468 /nfs/dbraw/zinc/94/64/68/152946468.db2.gz SRMKAQDBIRWZBQ-UHFFFAOYSA-N 0 0 344.302 3.405 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C)c2ccncc2OC)cc1[N+](=O)[O-] ZINC000189675670 153088214 /nfs/dbraw/zinc/08/82/14/153088214.db2.gz UJJQKJIKPILVBH-NSHDSACASA-N 0 0 329.356 3.052 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000189693577 153090734 /nfs/dbraw/zinc/09/07/34/153090734.db2.gz LALINUNIAKTVER-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189817543 153098919 /nfs/dbraw/zinc/09/89/19/153098919.db2.gz KLZXFQXMLJSEOF-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190142042 153118338 /nfs/dbraw/zinc/11/83/38/153118338.db2.gz MHORLUZSCMTRGL-MRXNPFEDSA-N 0 0 326.352 3.086 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327814 153188051 /nfs/dbraw/zinc/18/80/51/153188051.db2.gz YHHLIPXTXGVGKE-LBPRGKRZSA-N 0 0 344.371 3.498 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000191412758 153194727 /nfs/dbraw/zinc/19/47/27/153194727.db2.gz WUABLHBDRYOREO-AWEZNQCLSA-N 0 0 327.340 3.467 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191629176 153210951 /nfs/dbraw/zinc/21/09/51/153210951.db2.gz BLMFWQLEFRDQJC-WDEREUQCSA-N 0 0 344.820 3.024 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000193841081 153310022 /nfs/dbraw/zinc/31/00/22/153310022.db2.gz MOFXPYYKBKTZTO-GFCCVEGCSA-N 0 0 348.384 3.339 10 5 EGBERN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219634 153389476 /nfs/dbraw/zinc/38/94/76/153389476.db2.gz JNIHDYYEYNPPJI-SJCJKPOMSA-N 0 0 345.399 3.401 10 5 EGBERN Cn1cccc1[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195490964 153409677 /nfs/dbraw/zinc/40/96/77/153409677.db2.gz AKGOYFPLWIVSTM-QGZVFWFLSA-N 0 0 338.367 3.392 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000347820604 286381194 /nfs/dbraw/zinc/38/11/94/286381194.db2.gz FBQRAGWANZECMH-GZMMTYOYSA-N 0 0 332.278 3.016 10 5 EGBERN CCc1cccc(CC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000337396950 154331588 /nfs/dbraw/zinc/33/15/88/154331588.db2.gz CNTGDHXKHCRDKV-UHFFFAOYSA-N 0 0 328.368 3.025 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000339153017 154724981 /nfs/dbraw/zinc/72/49/81/154724981.db2.gz TUYBRZXMQLKPIT-LBPRGKRZSA-N 0 0 330.340 3.320 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CC[C@H](c4ccccc4)O3)[nH]c2c1 ZINC000341047182 155128909 /nfs/dbraw/zinc/12/89/09/155128909.db2.gz LPEUKCZGKNUEJG-RHSMWYFYSA-N 0 0 338.367 3.225 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N(Cc1ccccc1)C1CCCCC1 ZINC000352693672 156427164 /nfs/dbraw/zinc/42/71/64/156427164.db2.gz QNRJKNXQRJWURR-UHFFFAOYSA-N 0 0 328.372 3.293 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000354519217 156561276 /nfs/dbraw/zinc/56/12/76/156561276.db2.gz DOHNUHLKLQADGT-NWDGAFQWSA-N 0 0 330.306 3.232 10 5 EGBERN C[C@H](Sc1cccnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000358296348 156794691 /nfs/dbraw/zinc/79/46/91/156794691.db2.gz YMHINOGQLHJJFM-QMMMGPOBSA-N 0 0 338.776 3.158 10 5 EGBERN CCC1(CC)CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[S@]1=O ZINC000360066212 156902105 /nfs/dbraw/zinc/90/21/05/156902105.db2.gz NZGGAMOLSGRGCC-JOCHJYFZSA-N 0 0 328.409 3.170 10 5 EGBERN Cc1c(CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000362121463 157033370 /nfs/dbraw/zinc/03/33/70/157033370.db2.gz BJHCJFCRUTXFJF-LBPRGKRZSA-N 0 0 343.387 3.392 10 5 EGBERN O=C(Nc1ccc(CO)c(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000362213916 157078262 /nfs/dbraw/zinc/07/82/62/157078262.db2.gz ISZSVNOSMMFKCC-UHFFFAOYSA-N 0 0 345.742 3.474 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372481522 157341936 /nfs/dbraw/zinc/34/19/36/157341936.db2.gz KUTCEQMHYZARIG-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000378052196 157459851 /nfs/dbraw/zinc/45/98/51/157459851.db2.gz UFURHJKERQAJIH-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000073328376 161667957 /nfs/dbraw/zinc/66/79/57/161667957.db2.gz HYSZIIDDHMGSAW-CYBMUJFWSA-N 0 0 340.335 3.243 10 5 EGBERN Cc1cc(F)cc2c1N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000108975558 162089056 /nfs/dbraw/zinc/08/90/56/162089056.db2.gz ISXABSVOCIYSQU-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000111099622 162143762 /nfs/dbraw/zinc/14/37/62/162143762.db2.gz YPNKHUMLUJGVTC-UHFFFAOYSA-N 0 0 338.367 3.062 10 5 EGBERN Cc1sc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000114301909 162226400 /nfs/dbraw/zinc/22/64/00/162226400.db2.gz CDVODLVFLVPTGA-NSHDSACASA-N 0 0 342.417 3.061 10 5 EGBERN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000114359988 162230010 /nfs/dbraw/zinc/23/00/10/162230010.db2.gz XDEWWDFWEUNFLM-QGZVFWFLSA-N 0 0 341.367 3.124 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000125687097 162285279 /nfs/dbraw/zinc/28/52/79/162285279.db2.gz LWICROWZGNFVCS-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126606244 162309111 /nfs/dbraw/zinc/30/91/11/162309111.db2.gz SCYBGZRNCYVMOU-ACJLOTCBSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000128747271 162334205 /nfs/dbraw/zinc/33/42/05/162334205.db2.gz FJCKUDDBCAMYGA-OAHLLOKOSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000132904859 162444082 /nfs/dbraw/zinc/44/40/82/162444082.db2.gz MRBWXJJKMVUQTO-UHFFFAOYSA-N 0 0 345.330 3.478 10 5 EGBERN Nc1c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000178180112 162665407 /nfs/dbraw/zinc/66/54/07/162665407.db2.gz VJJAUKTUSQJLEV-AWEZNQCLSA-N 0 0 343.358 3.163 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccncc1 ZINC000183642687 162835558 /nfs/dbraw/zinc/83/55/58/162835558.db2.gz QMWFHEREJOGWDE-KRWDZBQOSA-N 0 0 349.350 3.296 10 5 EGBERN Nc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000247642461 162969598 /nfs/dbraw/zinc/96/95/98/162969598.db2.gz IEONBXDMSLUDFZ-GOSISDBHSA-N 0 0 348.362 3.091 10 5 EGBERN Cc1cc(Cn2c(C)ccc([N+](=O)[O-])c2=O)ccc1Br ZINC000337140867 163142102 /nfs/dbraw/zinc/14/21/02/163142102.db2.gz UTLFHKDYFANCKY-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN COc1cccc(NCC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000337243785 163177139 /nfs/dbraw/zinc/17/71/39/163177139.db2.gz HXYPZZHWBXRMEW-GFCCVEGCSA-N 0 0 330.340 3.245 10 5 EGBERN COC(=O)CC1(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCCC1 ZINC000338467783 163234767 /nfs/dbraw/zinc/23/47/67/163234767.db2.gz KWWGORBNNUHQPY-UHFFFAOYSA-N 0 0 349.387 3.209 10 5 EGBERN COC(=O)c1cnc(NCC2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000338484388 163242517 /nfs/dbraw/zinc/24/25/17/163242517.db2.gz JFWRXBGYEBTRFG-UHFFFAOYSA-N 0 0 341.367 3.382 10 5 EGBERN Cc1cccc(NCc2ncn(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000338703460 163323884 /nfs/dbraw/zinc/32/38/84/163323884.db2.gz BXSKFNRGWMRHSF-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN Cc1cccc(N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)c1 ZINC000338725050 163332354 /nfs/dbraw/zinc/33/23/54/163332354.db2.gz FQBPGWYJUZOLDU-UHFFFAOYSA-N 0 0 327.384 3.417 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC2CCC1CC2 ZINC000340233196 163513982 /nfs/dbraw/zinc/51/39/82/163513982.db2.gz IATSZLDVCQSLPJ-MFGLSYLJSA-N 0 0 327.384 3.314 10 5 EGBERN C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1[N+](=O)[O-] ZINC000342293845 163839251 /nfs/dbraw/zinc/83/92/51/163839251.db2.gz GIVPSZKTRZBDGO-ZDUSSCGKSA-N 0 0 338.367 3.419 10 5 EGBERN Cc1cc(=NC(=O)c2cccc(C)c2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000342630274 163927697 /nfs/dbraw/zinc/92/76/97/163927697.db2.gz JSLRUKJESNJCNL-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN CCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1cccs1 ZINC000344422661 164175425 /nfs/dbraw/zinc/17/54/25/164175425.db2.gz QWQYZGGSHISKEC-UHFFFAOYSA-N 0 0 333.398 3.481 10 5 EGBERN COc1ccc(C(C)(C)CNc2ccc([N+](=O)[O-])nc2)cc1OC ZINC000344435204 164177990 /nfs/dbraw/zinc/17/79/90/164177990.db2.gz OWIMQKOJNLOFDN-UHFFFAOYSA-N 0 0 331.372 3.397 10 5 EGBERN O=C1CCc2c1ccc(OCCOc1ccccc1[N+](=O)[O-])c2F ZINC000344580531 164191593 /nfs/dbraw/zinc/19/15/93/164191593.db2.gz ORCWWCVZKWZWFH-UHFFFAOYSA-N 0 0 331.299 3.321 10 5 EGBERN Nc1ccc(-c2noc(-c3cc4[nH]ccc4s3)n2)cc1[N+](=O)[O-] ZINC000345653137 164234807 /nfs/dbraw/zinc/23/48/07/164234807.db2.gz RUAGGHFXIHGBDL-UHFFFAOYSA-N 0 0 327.325 3.437 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(COc3ccc(Cl)cc3)no2)n1 ZINC000345918392 164294690 /nfs/dbraw/zinc/29/46/90/164294690.db2.gz ABJBHYPXBGKFIJ-UHFFFAOYSA-N 0 0 349.734 3.094 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347075250 164441238 /nfs/dbraw/zinc/44/12/38/164441238.db2.gz ALGFEPDCDRHUOJ-KPZWWZAWSA-N 0 0 326.352 3.023 10 5 EGBERN COc1cccc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c1[N+](=O)[O-] ZINC000347139172 164450422 /nfs/dbraw/zinc/45/04/22/164450422.db2.gz MNTWUKVVDHJJAX-UHFFFAOYSA-N 0 0 343.343 3.272 10 5 EGBERN CC[C@H]1CCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000347589591 164526485 /nfs/dbraw/zinc/52/64/85/164526485.db2.gz YEJOTLLPHZUCQM-INIZCTEOSA-N 0 0 342.399 3.081 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CC1CC1)C1CCC1 ZINC000349688748 164913580 /nfs/dbraw/zinc/91/35/80/164913580.db2.gz BOWSAHCGUDUMAM-UHFFFAOYSA-N 0 0 327.388 3.159 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351958777 165167885 /nfs/dbraw/zinc/16/78/85/165167885.db2.gz XQMQCEIRQXLOGJ-HQJQHLMTSA-N 0 0 328.166 3.277 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1[nH]nc2ccc(Cl)cc21 ZINC000352237345 165301075 /nfs/dbraw/zinc/30/10/75/165301075.db2.gz IMHABWACTUALDU-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN COc1cc(CN2CCO[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000352417837 165390518 /nfs/dbraw/zinc/39/05/18/165390518.db2.gz VFIVNUOLBFDISL-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC ZINC000353561309 165806879 /nfs/dbraw/zinc/80/68/79/165806879.db2.gz OHQZNADZWFOMTQ-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353731881 165874167 /nfs/dbraw/zinc/87/41/67/165874167.db2.gz WNCSGDOGITYGRU-SNVBAGLBSA-N 0 0 346.330 3.082 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1OC ZINC000353936696 165926096 /nfs/dbraw/zinc/92/60/96/165926096.db2.gz ADRWWHQISCHIKG-NSHDSACASA-N 0 0 344.371 3.444 10 5 EGBERN CN(Cc1cccc(F)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355366353 166175366 /nfs/dbraw/zinc/17/53/66/166175366.db2.gz HULVFKJJXAAXQU-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000355491103 166219240 /nfs/dbraw/zinc/21/92/40/166219240.db2.gz LRAQNFQMJKPZCH-RHSMWYFYSA-N 0 0 342.399 3.250 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(CCn2cnc3ccccc32)no1 ZINC000355587100 166252390 /nfs/dbraw/zinc/25/23/90/166252390.db2.gz MCPOYXHYQAQODX-UHFFFAOYSA-N 0 0 335.323 3.237 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000355709392 166287020 /nfs/dbraw/zinc/28/70/20/166287020.db2.gz NAGMRYXURYTHQP-UHFFFAOYSA-N 0 0 330.287 3.046 10 5 EGBERN CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000355898476 166341502 /nfs/dbraw/zinc/34/15/02/166341502.db2.gz XDVPXPJXBHBKIN-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN COc1c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356862285 166517326 /nfs/dbraw/zinc/51/73/26/166517326.db2.gz JSBJKUQNWCDQFE-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4cc(F)ccc4[nH]3)n2)nc1 ZINC000357329221 166648097 /nfs/dbraw/zinc/64/80/97/166648097.db2.gz BRFMSHTZBQBTLI-UHFFFAOYSA-N 0 0 339.286 3.251 10 5 EGBERN COc1cc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000357634418 166731802 /nfs/dbraw/zinc/73/18/02/166731802.db2.gz YIXWPDNWNGIQEB-ACJLOTCBSA-N 0 0 346.358 3.321 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000357679137 166742696 /nfs/dbraw/zinc/74/26/96/166742696.db2.gz GSYBCEQBVDISJC-CVEARBPZSA-N 0 0 348.362 3.210 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(C)(OCC)CC2)cc1[N+](=O)[O-] ZINC000358647722 166925461 /nfs/dbraw/zinc/92/54/61/166925461.db2.gz DOLGJISAQCXQFB-UHFFFAOYSA-N 0 0 336.388 3.025 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000358757217 166959451 /nfs/dbraw/zinc/95/94/51/166959451.db2.gz PKLJNEJOLJVEFI-OAHLLOKOSA-N 0 0 349.774 3.069 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1F ZINC000358900661 166998656 /nfs/dbraw/zinc/99/86/56/166998656.db2.gz VHFAZVPVVJWTPY-UHFFFAOYSA-N 0 0 343.358 3.340 10 5 EGBERN CC[C@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359063802 167055565 /nfs/dbraw/zinc/05/55/65/167055565.db2.gz GBWQVFSNVCOHGM-DOMZBBRYSA-N 0 0 335.404 3.255 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000359094947 167065647 /nfs/dbraw/zinc/06/56/47/167065647.db2.gz LVUWCTVFMHVIDS-CYBMUJFWSA-N 0 0 338.371 3.360 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000359122997 167074142 /nfs/dbraw/zinc/07/41/42/167074142.db2.gz IMPWTLOHGKABRX-LBPRGKRZSA-N 0 0 330.388 3.043 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359189213 167091671 /nfs/dbraw/zinc/09/16/71/167091671.db2.gz DBRDTBZUNJHGLT-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359196516 167093563 /nfs/dbraw/zinc/09/35/63/167093563.db2.gz LULGUZBAHLFZST-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN CSC[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359357041 167135226 /nfs/dbraw/zinc/13/52/26/167135226.db2.gz CPBNCHWGNCRKCC-JTQLQIEISA-N 0 0 346.355 3.164 10 5 EGBERN Cc1c(CNC(=O)NCCC[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000359534322 167182198 /nfs/dbraw/zinc/18/21/98/167182198.db2.gz RGONARSVCRDFQN-PBHICJAKSA-N 0 0 349.431 3.034 10 5 EGBERN Cc1c2c(sc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CCCC2 ZINC000359833486 167244218 /nfs/dbraw/zinc/24/42/18/167244218.db2.gz ZJFIGBKYIPGKAL-UHFFFAOYSA-N 0 0 348.428 3.414 10 5 EGBERN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000360202042 167269729 /nfs/dbraw/zinc/26/97/29/167269729.db2.gz DVYIXZDPRPNDIJ-KGXGESDWSA-N 0 0 341.415 3.277 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000360395070 167320219 /nfs/dbraw/zinc/32/02/19/167320219.db2.gz NLJIOTQYQNSXDH-KGLIPLIRSA-N 0 0 327.340 3.281 10 5 EGBERN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000360466206 167336059 /nfs/dbraw/zinc/33/60/59/167336059.db2.gz JSONXYRBMFZBFL-IBGZPJMESA-N 0 0 339.395 3.475 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000362482513 167770079 /nfs/dbraw/zinc/77/00/79/167770079.db2.gz GLRDFJVUYFTBMJ-HOTGVXAUSA-N 0 0 332.400 3.371 10 5 EGBERN COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000362897033 167858436 /nfs/dbraw/zinc/85/84/36/167858436.db2.gz OXUJRVWJUATOFA-HNNXBMFYSA-N 0 0 342.351 3.165 10 5 EGBERN COC(=O)c1cnc(N2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000365092884 168020259 /nfs/dbraw/zinc/02/02/59/168020259.db2.gz WXEBXBWGZKFWLQ-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000367255366 168199363 /nfs/dbraw/zinc/19/93/63/168199363.db2.gz ZZYLZUHGTLXKRI-SFESLNEESA-N 0 0 344.390 3.378 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000367257914 168199570 /nfs/dbraw/zinc/19/95/70/168199570.db2.gz NKEOKFGJPTYMPV-HAQNSBGRSA-N 0 0 343.358 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000162640544 225843419 /nfs/dbraw/zinc/84/34/19/225843419.db2.gz QUWHMMXIUKLFLS-OAHLLOKOSA-N 0 0 329.360 3.385 10 5 EGBERN O=C(NC1CCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174006794 265017678 /nfs/dbraw/zinc/01/76/78/265017678.db2.gz VBIJOQLDSQJNJN-UHFFFAOYSA-N 0 0 347.415 3.480 10 5 EGBERN CC[C@H](NC(=O)Nc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000175185792 265099851 /nfs/dbraw/zinc/09/98/51/265099851.db2.gz RIRJJOBFFDMPRB-ZDUSSCGKSA-N 0 0 330.344 3.271 10 5 EGBERN CC[C@@H](NC(=O)NCCCOCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175640399 265128379 /nfs/dbraw/zinc/12/83/79/265128379.db2.gz DNHFUXIWLIYJAK-MRXNPFEDSA-N 0 0 337.420 3.408 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000176731421 265199023 /nfs/dbraw/zinc/19/90/23/265199023.db2.gz NLJWTGVSJCUFJD-DYZYQPBXSA-N 0 0 343.358 3.491 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000177634770 265268720 /nfs/dbraw/zinc/26/87/20/265268720.db2.gz RLMYLEBPKCHYOP-LBPRGKRZSA-N 0 0 331.294 3.149 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000177781954 265277286 /nfs/dbraw/zinc/27/72/86/265277286.db2.gz XPMDPENDJUMBIC-CQSZACIVSA-N 0 0 336.351 3.419 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2n[nH]c(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177792283 265278060 /nfs/dbraw/zinc/27/80/60/265278060.db2.gz SIVMGOZHNCKGTR-OAHLLOKOSA-N 0 0 339.355 3.056 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000177791656 265278409 /nfs/dbraw/zinc/27/84/09/265278409.db2.gz SBJIEYNMYGDJOO-DOTOQJQBSA-N 0 0 340.379 3.413 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 ZINC000191658138 265922750 /nfs/dbraw/zinc/92/27/50/265922750.db2.gz NMWMHOHPPHIREI-MEBBXXQBSA-N 0 0 346.362 3.004 10 5 EGBERN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000192675272 265981978 /nfs/dbraw/zinc/98/19/78/265981978.db2.gz WOBRAYSIKXMLCI-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000194767234 266144291 /nfs/dbraw/zinc/14/42/91/266144291.db2.gz WOWIJIMRWXPNJY-UHFFFAOYSA-N 0 0 336.294 3.435 10 5 EGBERN CCn1c2ccc(F)cc2nc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195051933 266157340 /nfs/dbraw/zinc/15/73/40/266157340.db2.gz VCJFGAGRKSFRGV-UHFFFAOYSA-N 0 0 329.335 3.226 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000195243649 266167972 /nfs/dbraw/zinc/16/79/72/266167972.db2.gz PFCSJJNJDZWOCQ-JTQLQIEISA-N 0 0 332.278 3.018 10 5 EGBERN C[C@H]1C[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269630727 266329992 /nfs/dbraw/zinc/32/99/92/266329992.db2.gz HRBCLDRTNUZAGC-BQBZGAKWSA-N 0 0 347.596 3.397 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000269953286 266388395 /nfs/dbraw/zinc/38/83/95/266388395.db2.gz QGSAHRNWRFZVNY-UHFFFAOYSA-N 0 0 344.396 3.156 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(C(C)(C)C)n1 ZINC000273242615 267004259 /nfs/dbraw/zinc/00/42/59/267004259.db2.gz APYKPDXJEHKTAP-PKNBQFBNSA-N 0 0 345.355 3.422 10 5 EGBERN CN(CCCCO)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000276531600 267567892 /nfs/dbraw/zinc/56/78/92/267567892.db2.gz YTVMJSBRFCXNBI-UHFFFAOYSA-N 0 0 344.367 3.232 10 5 EGBERN COC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000353151065 273980478 /nfs/dbraw/zinc/98/04/78/273980478.db2.gz FFYUUXDORVDSMZ-GOSISDBHSA-N 0 0 346.358 3.302 10 5 EGBERN CO[C@@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000338289892 274061121 /nfs/dbraw/zinc/06/11/21/274061121.db2.gz IHLWWOPBGDSQBB-KRWDZBQOSA-N 0 0 347.802 3.389 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000174503809 275199158 /nfs/dbraw/zinc/19/91/58/275199158.db2.gz ZEQKRYMCZQECJU-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000187013451 275216981 /nfs/dbraw/zinc/21/69/81/275216981.db2.gz NTOHQLQEFISDST-KRWDZBQOSA-N 0 0 344.392 3.236 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000194829151 275227324 /nfs/dbraw/zinc/22/73/24/275227324.db2.gz WACDBZYMXRGTFD-CQSZACIVSA-N 0 0 342.395 3.486 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000194878818 275228945 /nfs/dbraw/zinc/22/89/45/275228945.db2.gz YWSCGKOQUCJFIC-AWEZNQCLSA-N 0 0 329.381 3.265 10 5 EGBERN Cc1c(NC(=O)C[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280570303 275466616 /nfs/dbraw/zinc/46/66/16/275466616.db2.gz KJOULTGJWRUUQF-JTQLQIEISA-N 0 0 343.177 3.173 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356813620 275509425 /nfs/dbraw/zinc/50/94/25/275509425.db2.gz LZWKLDUHAWJOSH-UHFFFAOYSA-N 0 0 331.372 3.403 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281010976 275514161 /nfs/dbraw/zinc/51/41/61/275514161.db2.gz BIERBDOGMVPHQT-MRXNPFEDSA-N 0 0 342.399 3.258 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc([N+](=O)[O-])c1 ZINC000281330472 275540678 /nfs/dbraw/zinc/54/06/78/275540678.db2.gz QOOJAOCYELUARO-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000281392532 275545726 /nfs/dbraw/zinc/54/57/26/275545726.db2.gz VNIGXSGVRRVJPZ-OAHLLOKOSA-N 0 0 348.790 3.349 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000281864143 275583595 /nfs/dbraw/zinc/58/35/95/275583595.db2.gz NAZJEDZCRCBJAN-BQPHKTIFSA-N 0 0 339.823 3.409 10 5 EGBERN Cc1sc(C(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000282085248 275601658 /nfs/dbraw/zinc/60/16/58/275601658.db2.gz DHKFGSXXERUFGA-UHFFFAOYSA-N 0 0 331.191 3.089 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC2(CC2)C1 ZINC000282743549 275666344 /nfs/dbraw/zinc/66/63/44/275666344.db2.gz JNEICNQOHBPLBG-UHFFFAOYSA-N 0 0 327.388 3.254 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CCO2)c1 ZINC000283196885 275704485 /nfs/dbraw/zinc/70/44/85/275704485.db2.gz RCDQVHCXAHPKRK-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@H]2CC(F)F)cc1C(F)(F)F ZINC000286549405 276015317 /nfs/dbraw/zinc/01/53/17/276015317.db2.gz ORZRRYUOMXFAKS-SECBINFHSA-N 0 0 340.248 3.474 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000286624961 276024770 /nfs/dbraw/zinc/02/47/70/276024770.db2.gz WDJSNMJNGPUMJY-NSHDSACASA-N 0 0 331.351 3.044 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccsc1 ZINC000286793496 276043950 /nfs/dbraw/zinc/04/39/50/276043950.db2.gz ZTKUAGOFZABOHR-UHFFFAOYSA-N 0 0 333.413 3.083 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000287240745 276099986 /nfs/dbraw/zinc/09/99/86/276099986.db2.gz WTNXLEKRVNBNMN-HNNXBMFYSA-N 0 0 328.372 3.419 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2ccc(N)cc2[N+](=O)[O-])cc1OC ZINC000287338396 276109577 /nfs/dbraw/zinc/10/95/77/276109577.db2.gz MWJSIYFLLVGBFP-LLVKDONJSA-N 0 0 331.372 3.237 10 5 EGBERN CCC(=O)c1ccc(N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000373828370 276204969 /nfs/dbraw/zinc/20/49/69/276204969.db2.gz HDQZVLRLZFRNCT-UHFFFAOYSA-N 0 0 328.372 3.295 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000288961525 276272012 /nfs/dbraw/zinc/27/20/12/276272012.db2.gz TWLVOJCVWYCJNC-IAQYHMDHSA-N 0 0 348.378 3.225 10 5 EGBERN O=C1CCCN1CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289449915 276340677 /nfs/dbraw/zinc/34/06/77/276340677.db2.gz SXGCUZNTHFTXHD-UHFFFAOYSA-N 0 0 347.396 3.105 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000289682014 276377453 /nfs/dbraw/zinc/37/74/53/276377453.db2.gz FYBIXDRJAGMLTN-SJKOYZFVSA-N 0 0 343.383 3.401 10 5 EGBERN CC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184405009 276437483 /nfs/dbraw/zinc/43/74/83/276437483.db2.gz AZAKOZYKLHICQQ-LLVKDONJSA-N 0 0 325.365 3.440 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1[C@@H]1CCCO1 ZINC000290697915 276530230 /nfs/dbraw/zinc/53/02/30/276530230.db2.gz VOJCPSVJXDTPDI-JKSUJKDBSA-N 0 0 343.383 3.106 10 5 EGBERN CC(C)(CCc1noc(-c2ccc3c(c2O)CCCC3)n1)[N+](=O)[O-] ZINC000291096655 276588424 /nfs/dbraw/zinc/58/84/24/276588424.db2.gz QLWYCNBRDOJUTP-UHFFFAOYSA-N 0 0 331.372 3.309 10 5 EGBERN CC(C)N(C)C(=O)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000057138955 277533058 /nfs/dbraw/zinc/53/30/58/277533058.db2.gz UMWUXKIJZZRGBG-UHFFFAOYSA-N 0 0 337.395 3.207 10 5 EGBERN CO[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362365077 277748375 /nfs/dbraw/zinc/74/83/75/277748375.db2.gz MOGZLANNVWVBBG-KGLIPLIRSA-N 0 0 331.347 3.197 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc2O1 ZINC000181200703 278367226 /nfs/dbraw/zinc/36/72/26/278367226.db2.gz XHFKMKQSSLVVSL-CYBMUJFWSA-N 0 0 341.367 3.209 10 5 EGBERN CCCc1csc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000343590989 278987775 /nfs/dbraw/zinc/98/77/75/278987775.db2.gz YKKJOIOUSSMZGK-UHFFFAOYSA-N 0 0 341.339 3.463 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1C(C)C ZINC000354661719 279263956 /nfs/dbraw/zinc/26/39/56/279263956.db2.gz TUTZPSDGFWWTGX-UHFFFAOYSA-N 0 0 345.403 3.405 10 5 EGBERN Cn1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000358493456 279365256 /nfs/dbraw/zinc/36/52/56/279365256.db2.gz CRRQLENHSGMCNU-SFHVURJKSA-N 0 0 340.358 3.347 10 5 EGBERN CCO[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000150811704 279917914 /nfs/dbraw/zinc/91/79/14/279917914.db2.gz KGILHRSCWGXAOH-CVEARBPZSA-N 0 0 343.383 3.154 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 ZINC000352419200 280162452 /nfs/dbraw/zinc/16/24/52/280162452.db2.gz MWSKVWMIBGWKLW-INIZCTEOSA-N 0 0 338.791 3.281 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000180605104 280242812 /nfs/dbraw/zinc/24/28/12/280242812.db2.gz FYRGUFXQYBYPLZ-HNNXBMFYSA-N 0 0 329.360 3.385 10 5 EGBERN Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)c(Br)cc1[N+](=O)[O-] ZINC000364494304 280589130 /nfs/dbraw/zinc/58/91/30/280589130.db2.gz WYODSOIDUUOURO-AOOOYVTPSA-N 0 0 327.178 3.033 10 5 EGBERN Cc1ccc(CN(CCO)c2nc3ccccc3cc2[N+](=O)[O-])o1 ZINC000360241716 280811948 /nfs/dbraw/zinc/81/19/48/280811948.db2.gz LCXBEIIPRBGXLM-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccnn1C1CCCC1 ZINC000078501876 281018833 /nfs/dbraw/zinc/01/88/33/281018833.db2.gz HVAPGOBKJVOQPA-UHFFFAOYSA-N 0 0 343.387 3.265 10 5 EGBERN Cc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000370963108 293362975 /nfs/dbraw/zinc/36/29/75/293362975.db2.gz SGTUVKBBSILFOH-JTQLQIEISA-N 0 0 336.373 3.024 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)[C@H](C)C(C)C ZINC000114270023 302704896 /nfs/dbraw/zinc/70/48/96/302704896.db2.gz DNOPDKNXVBUZMC-SNVBAGLBSA-N 0 0 333.310 3.347 10 5 EGBERN COCC(C)(C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413518048 309035357 /nfs/dbraw/zinc/03/53/57/309035357.db2.gz MXXOOHNVWDPNPB-HNNXBMFYSA-N 0 0 338.429 3.232 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067863881 307368312 /nfs/dbraw/zinc/36/83/12/307368312.db2.gz ICCNPQYUVIDTFO-JTQLQIEISA-N 0 0 335.385 3.249 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000413975751 309055027 /nfs/dbraw/zinc/05/50/27/309055027.db2.gz QLYDZNWBLLMIDJ-LLVKDONJSA-N 0 0 328.372 3.246 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413997910 309055877 /nfs/dbraw/zinc/05/58/77/309055877.db2.gz VUVDCYFUHROIJD-HNNXBMFYSA-N 0 0 325.368 3.333 10 5 EGBERN COCc1ccccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124184928 307546279 /nfs/dbraw/zinc/54/62/79/307546279.db2.gz TZHPOLWWASDKCW-UHFFFAOYSA-N 0 0 341.367 3.331 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414027692 309056948 /nfs/dbraw/zinc/05/69/48/309056948.db2.gz DCPRJJOXEOZKFQ-JSGCOSHPSA-N 0 0 334.416 3.173 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(F)cc1[N+](=O)[O-] ZINC000134246439 307683786 /nfs/dbraw/zinc/68/37/86/307683786.db2.gz QPLQJWGJLZBLPB-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccnc1 ZINC000152212434 307748017 /nfs/dbraw/zinc/74/80/17/307748017.db2.gz SRFHSFABUJFIDQ-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153474163 307773814 /nfs/dbraw/zinc/77/38/14/307773814.db2.gz ZZSYIAJOVORCCU-ZDUSSCGKSA-N 0 0 337.759 3.375 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000154962635 307804523 /nfs/dbraw/zinc/80/45/23/307804523.db2.gz QSTDSGNJKRKKDY-UHFFFAOYSA-N 0 0 346.284 3.118 10 5 EGBERN CC[C@@H](C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000155818635 307821380 /nfs/dbraw/zinc/82/13/80/307821380.db2.gz ILDJYQCLVMJEJP-GFCCVEGCSA-N 0 0 343.383 3.217 10 5 EGBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)OCO2 ZINC000160391839 307889194 /nfs/dbraw/zinc/88/91/94/307889194.db2.gz VHCRGLJNQMPJGM-UHFFFAOYSA-N 0 0 339.307 3.081 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000292811839 308068511 /nfs/dbraw/zinc/06/85/11/308068511.db2.gz INWIUQYJZOMHOH-PELKAZGASA-N 0 0 347.198 3.399 10 5 EGBERN Cc1noc(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000292818263 308069321 /nfs/dbraw/zinc/06/93/21/308069321.db2.gz PMPYHSMMQZKLJE-UHFFFAOYSA-N 0 0 330.266 3.268 10 5 EGBERN CCc1nc(C)c(CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000293337096 308121592 /nfs/dbraw/zinc/12/15/92/308121592.db2.gz JTWXDDRAAFPISR-CQSZACIVSA-N 0 0 346.387 3.404 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414473115 309082657 /nfs/dbraw/zinc/08/26/57/309082657.db2.gz QCPUQNAVAOTXFQ-JQWIXIFHSA-N 0 0 338.410 3.260 10 5 EGBERN CC[C@H]1CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000293856259 308168388 /nfs/dbraw/zinc/16/83/88/308168388.db2.gz CDGKIFGEVBJWHY-HNNXBMFYSA-N 0 0 331.416 3.456 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)C[C@H]1C ZINC000414511720 309085584 /nfs/dbraw/zinc/08/55/84/309085584.db2.gz LMTMBNDEMYOXMP-GFCCVEGCSA-N 0 0 329.404 3.498 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000294249606 308203658 /nfs/dbraw/zinc/20/36/58/308203658.db2.gz SMOYYYKGFFKSTE-UONOGXRCSA-N 0 0 331.416 3.312 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295642606 308346595 /nfs/dbraw/zinc/34/65/95/308346595.db2.gz UETOTPQORLHVAM-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN CC(F)(F)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295676501 308349720 /nfs/dbraw/zinc/34/97/20/308349720.db2.gz XRQCWOQKTRLZHU-UHFFFAOYSA-N 0 0 339.298 3.014 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000295708214 308352544 /nfs/dbraw/zinc/35/25/44/308352544.db2.gz FYDZKBRSKXGPBR-NOZJJQNGSA-N 0 0 346.305 3.111 10 5 EGBERN CC(F)(F)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000295811313 308362537 /nfs/dbraw/zinc/36/25/37/308362537.db2.gz SRMHJLVMOYKHIW-UHFFFAOYSA-N 0 0 341.358 3.360 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000295859239 308368114 /nfs/dbraw/zinc/36/81/14/308368114.db2.gz DXKVMMRGJPQOLC-DTWKUNHWSA-N 0 0 348.325 3.244 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C2CC2)cc1 ZINC000299519264 308677855 /nfs/dbraw/zinc/67/78/55/308677855.db2.gz DKGFIVNCNGZMHF-NSHDSACASA-N 0 0 329.356 3.377 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cccc(C)n1 ZINC000301357827 308697707 /nfs/dbraw/zinc/69/77/07/308697707.db2.gz NGMJIRLQRKXNJP-UHFFFAOYSA-N 0 0 333.319 3.226 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000301485531 308702070 /nfs/dbraw/zinc/70/20/70/308702070.db2.gz HEWDGXHCIOSPSZ-LLVKDONJSA-N 0 0 333.413 3.083 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@H]3CCCC[C@@H]3C2)c(Br)c1 ZINC000301563447 308705361 /nfs/dbraw/zinc/70/53/61/308705361.db2.gz PGOLBVQUTIBINA-NXEZZACHSA-N 0 0 326.194 3.379 10 5 EGBERN Cc1nc(N2CCc3[nH]c4ccc(F)cc4c3C2)ccc1[N+](=O)[O-] ZINC000301623327 308707980 /nfs/dbraw/zinc/70/79/80/308707980.db2.gz GEDPOMPTHOTNGG-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN COc1cc(NCCOc2ncccc2Cl)c([N+](=O)[O-])cc1F ZINC000301627109 308708087 /nfs/dbraw/zinc/70/80/87/308708087.db2.gz BEOZWLBAGYBWGC-UHFFFAOYSA-N 0 0 341.726 3.282 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000301646411 308708722 /nfs/dbraw/zinc/70/87/22/308708722.db2.gz HYMQECAORZSQPD-LLVKDONJSA-N 0 0 331.372 3.359 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CC=CC[C@@H]3C2)cc1Cl ZINC000301697277 308711394 /nfs/dbraw/zinc/71/13/94/308711394.db2.gz ZLHUSUGJQUODDR-GHMZBOCLSA-N 0 0 336.775 3.437 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301867606 308719187 /nfs/dbraw/zinc/71/91/87/308719187.db2.gz VSJVNSWIFXLTQZ-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COc1cc(NCCC[C@H]2CCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000301946316 308722696 /nfs/dbraw/zinc/72/26/96/308722696.db2.gz ZZMHWSPTZYDTSI-IAQYHMDHSA-N 0 0 326.368 3.486 10 5 EGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC000302531214 308739157 /nfs/dbraw/zinc/73/91/57/308739157.db2.gz FINLYPIWYOTSKQ-ZANVPECISA-N 0 0 329.194 3.219 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C2CCCCC2)c1 ZINC000302701466 308742419 /nfs/dbraw/zinc/74/24/19/308742419.db2.gz ICSPEDREUBQAAE-QGZVFWFLSA-N 0 0 336.388 3.125 10 5 EGBERN CC[C@]1(C)COCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000331259061 308803399 /nfs/dbraw/zinc/80/33/99/308803399.db2.gz HBBZJEWMABCVNH-OAHLLOKOSA-N 0 0 326.780 3.198 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411187734 308930237 /nfs/dbraw/zinc/93/02/37/308930237.db2.gz LBBXFOYIYMTGGR-KBXCAEBGSA-N 0 0 343.358 3.008 10 5 EGBERN Cc1c(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000412291831 308979334 /nfs/dbraw/zinc/97/93/34/308979334.db2.gz OQFKMVJEADMSDT-QAPCUYQASA-N 0 0 328.343 3.404 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000412953613 309009743 /nfs/dbraw/zinc/00/97/43/309009743.db2.gz ZSBTULDCKCUMJT-NXEZZACHSA-N 0 0 338.266 3.075 10 5 EGBERN CC1(C)CCC[C@H](n2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1=O ZINC000412997316 309011329 /nfs/dbraw/zinc/01/13/29/309011329.db2.gz WVUJXWPOIDNMKI-HNNXBMFYSA-N 0 0 341.367 3.139 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2F)c1 ZINC000413027589 309012287 /nfs/dbraw/zinc/01/22/87/309012287.db2.gz BDWFTXJUHWTMID-HNNXBMFYSA-N 0 0 347.346 3.488 10 5 EGBERN CC(C)(NC(=O)c1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000415722904 309141928 /nfs/dbraw/zinc/14/19/28/309141928.db2.gz IMVXOFBHAVLIPF-UHFFFAOYSA-N 0 0 331.397 3.205 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC2CC1(C(F)(F)F)C2 ZINC000415782874 309143718 /nfs/dbraw/zinc/14/37/18/309143718.db2.gz HLHYABVRDIMLGM-MDZYGYFASA-N 0 0 340.301 3.252 10 5 EGBERN C[C@H]1C[C@@H]1N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000415909708 309147836 /nfs/dbraw/zinc/14/78/36/309147836.db2.gz XXMQQNJYZUNHMC-BBRMVZONSA-N 0 0 326.352 3.415 10 5 EGBERN CCc1ccc([C@H](N[C@H]2C[C@@](C)(O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417399958 309204457 /nfs/dbraw/zinc/20/44/57/309204457.db2.gz IYOSVEZRRNIGFT-XWIAVFTESA-N 0 0 330.384 3.343 10 5 EGBERN Cc1ccc2c(c1)CCN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C)C2 ZINC000417453707 309206700 /nfs/dbraw/zinc/20/67/00/309206700.db2.gz PCBCFMJJYULMLH-UHFFFAOYSA-N 0 0 349.394 3.261 10 5 EGBERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000417644251 309215806 /nfs/dbraw/zinc/21/58/06/309215806.db2.gz FBVUIAHUPSARTA-CZUORRHYSA-N 0 0 344.367 3.445 10 5 EGBERN CCOc1cc(CSCc2ccnc(OC)n2)ccc1[N+](=O)[O-] ZINC000419529994 309268860 /nfs/dbraw/zinc/26/88/60/309268860.db2.gz YPRAYQOYISDJBI-UHFFFAOYSA-N 0 0 335.385 3.226 10 5 EGBERN C[C@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000420595494 309289580 /nfs/dbraw/zinc/28/95/80/309289580.db2.gz GBZDIWQWMZJOFG-VGTOOOLASA-N 0 0 341.367 3.059 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000421129574 309314605 /nfs/dbraw/zinc/31/46/05/309314605.db2.gz YBEORMQESVGICE-WCQYABFASA-N 0 0 337.376 3.073 10 5 EGBERN Cc1c(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1C ZINC000421494661 309327133 /nfs/dbraw/zinc/32/71/33/309327133.db2.gz GIWINSSIRFRJFT-UHFFFAOYSA-N 0 0 348.790 3.095 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccnn1C ZINC000421505383 309327503 /nfs/dbraw/zinc/32/75/03/309327503.db2.gz ISCHSOHWMGOXBK-MRVPVSSYSA-N 0 0 342.277 3.089 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000421524541 309328343 /nfs/dbraw/zinc/32/83/43/309328343.db2.gz PHFPQKVIJJCYLI-UHFFFAOYSA-N 0 0 339.395 3.486 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000421661802 309333292 /nfs/dbraw/zinc/33/32/92/309333292.db2.gz ITSBPAPEQCNAFS-AAEUAGOBSA-N 0 0 334.397 3.497 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000421676193 309334168 /nfs/dbraw/zinc/33/41/68/309334168.db2.gz NQEGOVOPNPVPIO-WDEREUQCSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000422242848 309359052 /nfs/dbraw/zinc/35/90/52/309359052.db2.gz VMSGSJVNALFSST-HIFRSBDPSA-N 0 0 335.404 3.087 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426618462 309510492 /nfs/dbraw/zinc/51/04/92/309510492.db2.gz FJSHCXGCQVQUPQ-NEPJUHHUSA-N 0 0 331.372 3.444 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000426662642 309512131 /nfs/dbraw/zinc/51/21/31/309512131.db2.gz GSIKSRFCCKWMOF-MRXNPFEDSA-N 0 0 342.395 3.326 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000427595472 309531885 /nfs/dbraw/zinc/53/18/85/309531885.db2.gz VQHVGJOOGCMQOZ-GFCCVEGCSA-N 0 0 348.790 3.094 10 5 EGBERN Cc1ccc(-c2nnc(COc3ccc([N+](=O)[O-])c(CO)c3)o2)cc1 ZINC000428072353 309541676 /nfs/dbraw/zinc/54/16/76/309541676.db2.gz SJWOXRAFFPNZGO-UHFFFAOYSA-N 0 0 341.323 3.025 10 5 EGBERN Cc1cc(Oc2ccc([N+](=O)[O-])c(CO)c2)nc(-c2cccnc2)n1 ZINC000428650074 309557571 /nfs/dbraw/zinc/55/75/71/309557571.db2.gz HYPBWNSHEDKEBE-UHFFFAOYSA-N 0 0 338.323 3.040 10 5 EGBERN CCOC(=O)c1ccnc(N(C)Cc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000428672053 309558294 /nfs/dbraw/zinc/55/82/94/309558294.db2.gz XBGDSKIZIWDGMF-UHFFFAOYSA-N 0 0 343.383 3.420 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430540765 309610219 /nfs/dbraw/zinc/61/02/19/309610219.db2.gz HKMIRNFDJVXKOW-DJJJIMSYSA-N 0 0 340.379 3.332 10 5 EGBERN CCc1occc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000430807298 309618230 /nfs/dbraw/zinc/61/82/30/309618230.db2.gz MAGLRWRVIZPGII-UHFFFAOYSA-N 0 0 325.324 3.281 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000455083852 310343814 /nfs/dbraw/zinc/34/38/14/310343814.db2.gz MFZNSGXEVXONNS-DJIMGWMZSA-N 0 0 347.415 3.451 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(C2CC2)cc1Cl ZINC000432178063 309654174 /nfs/dbraw/zinc/65/41/74/309654174.db2.gz LHGMTDUBPMJAIY-UHFFFAOYSA-N 0 0 333.731 3.412 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000433868446 309698663 /nfs/dbraw/zinc/69/86/63/309698663.db2.gz HRUDICHAKGPQJF-SNVBAGLBSA-N 0 0 345.330 3.183 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327982 309729098 /nfs/dbraw/zinc/72/90/98/309729098.db2.gz JRCINFFEZOJMHL-VXNVDRBHSA-N 0 0 342.193 3.443 10 5 EGBERN CC[C@H](NC(=O)c1ccc(O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000436640578 309765873 /nfs/dbraw/zinc/76/58/73/309765873.db2.gz XRSPKNFXNBYOKG-AWEZNQCLSA-N 0 0 330.340 3.190 10 5 EGBERN C[C@H](CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000443774214 309907974 /nfs/dbraw/zinc/90/79/74/309907974.db2.gz RLQFDSSREWINFP-CQSZACIVSA-N 0 0 348.424 3.160 10 5 EGBERN Cc1ccc(NCCCNC(=O)N2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000445130396 309936431 /nfs/dbraw/zinc/93/64/31/309936431.db2.gz GCAPJBOCONGDAN-UHFFFAOYSA-N 0 0 346.431 3.433 10 5 EGBERN C/C(=C/c1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1cccc(F)c1 ZINC000445569869 309943628 /nfs/dbraw/zinc/94/36/28/309943628.db2.gz ATTDULZKFMTWRG-TWGQIWQCSA-N 0 0 329.291 3.078 10 5 EGBERN Cc1c2cc(C)ccc2[nH]c1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445575501 309943690 /nfs/dbraw/zinc/94/36/90/309943690.db2.gz SBMMCACFMYHUKP-UHFFFAOYSA-N 0 0 338.327 3.143 10 5 EGBERN COc1cc(CN[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000445777292 309947114 /nfs/dbraw/zinc/94/71/14/309947114.db2.gz XPLZUJSERVQNPK-QGZVFWFLSA-N 0 0 331.347 3.378 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000446166268 309957648 /nfs/dbraw/zinc/95/76/48/309957648.db2.gz UQKVCKLPKVEIEP-UHFFFAOYSA-N 0 0 348.790 3.300 10 5 EGBERN Cc1cc(NC/C=C\c2ccccc2[N+](=O)[O-])cc(OCCO)c1 ZINC000447078866 309973766 /nfs/dbraw/zinc/97/37/66/309973766.db2.gz VRMYVYNOCJVRMX-XQRVVYSFSA-N 0 0 328.368 3.400 10 5 EGBERN Cc1ccccc1N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447677757 309985603 /nfs/dbraw/zinc/98/56/03/309985603.db2.gz VXQFEEFXAOKRAG-UHFFFAOYSA-N 0 0 337.383 3.106 10 5 EGBERN CC1(c2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000448413956 310003843 /nfs/dbraw/zinc/00/38/43/310003843.db2.gz LRWUMRYKNIIVCB-UHFFFAOYSA-N 0 0 343.383 3.408 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1Cc2cccc(C)c2O1)c1cccc([N+](=O)[O-])c1 ZINC000450052746 310100871 /nfs/dbraw/zinc/10/08/71/310100871.db2.gz MPMAFMJFPBJTEX-IAGOWNOFSA-N 0 0 340.379 3.474 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450138437 310105312 /nfs/dbraw/zinc/10/53/12/310105312.db2.gz ANBHVPVWWXGWCU-ZDUSSCGKSA-N 0 0 328.372 3.103 10 5 EGBERN Cn1nc2c(c1CNc1nccc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000450540015 310129007 /nfs/dbraw/zinc/12/90/07/310129007.db2.gz NJMVGQFBWKXEJI-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450552360 310129656 /nfs/dbraw/zinc/12/96/56/310129656.db2.gz HOHBKKSAJUPAIE-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCc3c(F)cccc32)n1 ZINC000450550902 310129689 /nfs/dbraw/zinc/12/96/89/310129689.db2.gz DVXKDBZWHXEEST-CYBMUJFWSA-N 0 0 345.330 3.405 10 5 EGBERN COC(=O)c1cc(NCCCC2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000450557402 310129968 /nfs/dbraw/zinc/12/99/68/310129968.db2.gz PDSRGMSIPWPSIF-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450652589 310135320 /nfs/dbraw/zinc/13/53/20/310135320.db2.gz GDLRZGKTZSATBK-WMZOPIPTSA-N 0 0 330.359 3.208 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450664848 310136103 /nfs/dbraw/zinc/13/61/03/310136103.db2.gz ZWSVBSDAHYGMEU-MAUKXSAKSA-N 0 0 330.359 3.208 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000450679851 310136776 /nfs/dbraw/zinc/13/67/76/310136776.db2.gz KBHSSWXHEXEWFO-LESCRADOSA-N 0 0 332.400 3.317 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000450802618 310143177 /nfs/dbraw/zinc/14/31/77/310143177.db2.gz ZKQFNEXQUNTINU-LSDHHAIUSA-N 0 0 328.372 3.334 10 5 EGBERN COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450946956 310151573 /nfs/dbraw/zinc/15/15/73/310151573.db2.gz NDVWPDKWZMHPKH-LLVKDONJSA-N 0 0 330.331 3.449 10 5 EGBERN O=C(N[C@@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451188866 310164936 /nfs/dbraw/zinc/16/49/36/310164936.db2.gz FSANLVVHZLONAD-MRXNPFEDSA-N 0 0 340.383 3.233 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000452185314 310217415 /nfs/dbraw/zinc/21/74/15/310217415.db2.gz KPVYHAOBUJNQMH-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCCC1CCOCC1 ZINC000452211142 310218873 /nfs/dbraw/zinc/21/88/73/310218873.db2.gz ZOUQXWHVMXGXFK-UHFFFAOYSA-N 0 0 349.431 3.110 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452810279 310242896 /nfs/dbraw/zinc/24/28/96/310242896.db2.gz DCCHOCHFHQKSLI-CXAGYDPISA-N 0 0 334.416 3.338 10 5 EGBERN Cc1cnc(CCCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)o1 ZINC000453100362 310257922 /nfs/dbraw/zinc/25/79/22/310257922.db2.gz RVTLWOWVYSZPRD-UHFFFAOYSA-N 0 0 328.328 3.425 10 5 EGBERN CC(C)(C)OCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453239004 310266186 /nfs/dbraw/zinc/26/61/86/310266186.db2.gz PHPKWEWIPUGWKP-UHFFFAOYSA-N 0 0 332.360 3.318 10 5 EGBERN C[C@@H](NC(=O)N1CCOC[C@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000454373468 310306162 /nfs/dbraw/zinc/30/61/62/310306162.db2.gz USNAYGGPKFUULP-CXAGYDPISA-N 0 0 347.415 3.256 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]1C1CC1 ZINC000454532669 310315195 /nfs/dbraw/zinc/31/51/95/310315195.db2.gz YQMPBZADQBEBLV-LLVKDONJSA-N 0 0 327.287 3.212 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000454613588 310320042 /nfs/dbraw/zinc/32/00/42/310320042.db2.gz NMXDMGRELQIJRE-KDOFPFPSSA-N 0 0 347.415 3.176 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454849006 310332538 /nfs/dbraw/zinc/33/25/38/310332538.db2.gz QOSQCYVQDVWPMZ-HLLBOEOZSA-N 0 0 347.415 3.051 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000455215253 310350674 /nfs/dbraw/zinc/35/06/74/310350674.db2.gz GHVUBXKUPKQMRA-VBNZEHGJSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(CF)CCOCC1 ZINC000455251386 310352243 /nfs/dbraw/zinc/35/22/43/310352243.db2.gz SPOAGFVHOXSXHF-UHFFFAOYSA-N 0 0 339.367 3.099 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1CCCC2 ZINC000456171113 310391840 /nfs/dbraw/zinc/39/18/40/310391840.db2.gz CLDOTEQYKBMUFX-UHFFFAOYSA-N 0 0 343.387 3.200 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456246691 310394836 /nfs/dbraw/zinc/39/48/36/310394836.db2.gz IISKGBJMEIXQON-GUYCJALGSA-N 0 0 336.338 3.063 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456249500 310394893 /nfs/dbraw/zinc/39/48/93/310394893.db2.gz MUNULGNLTUSFPV-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000456312316 310397924 /nfs/dbraw/zinc/39/79/24/310397924.db2.gz KYUNFHGHXMYORP-TZMCWYRMSA-N 0 0 347.396 3.010 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000464705387 310623285 /nfs/dbraw/zinc/62/32/85/310623285.db2.gz AZFLFRTWUQVJBY-CQSZACIVSA-N 0 0 326.352 3.347 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cc1OC)OCO2 ZINC000464711009 310623287 /nfs/dbraw/zinc/62/32/87/310623287.db2.gz LTEKNDGXGAELKM-UHFFFAOYSA-N 0 0 344.323 3.147 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000474202306 310787928 /nfs/dbraw/zinc/78/79/28/310787928.db2.gz SVLCFZPBSZPWOQ-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN CCC1(CC)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000485918788 310984767 /nfs/dbraw/zinc/98/47/67/310984767.db2.gz FPHOKHJCGICWCQ-UHFFFAOYSA-N 0 0 332.447 3.247 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOc2cc(O)ccc2C1 ZINC000487753219 311036733 /nfs/dbraw/zinc/03/67/33/311036733.db2.gz UFFASMHYJQAABZ-UHFFFAOYSA-N 0 0 337.335 3.248 10 5 EGBERN CC[C@@H](NC(=O)COCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000487875864 311040859 /nfs/dbraw/zinc/04/08/59/311040859.db2.gz MKAJCRBRTYKBPP-GOSISDBHSA-N 0 0 342.395 3.421 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000487900758 311041964 /nfs/dbraw/zinc/04/19/64/311041964.db2.gz VLDRTIRGEOYEDH-BZNIZROVSA-N 0 0 344.415 3.316 10 5 EGBERN CCOC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000488043925 311049052 /nfs/dbraw/zinc/04/90/52/311049052.db2.gz GJMWDTBJEGNHJJ-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN CCc1noc(CC)c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488122518 311052214 /nfs/dbraw/zinc/05/22/14/311052214.db2.gz GWENTAXJQKCGNV-UHFFFAOYSA-N 0 0 326.356 3.290 10 5 EGBERN Cc1nc(CCNc2c3ccccc3ncc2[N+](=O)[O-])sc1C ZINC000488126280 311052400 /nfs/dbraw/zinc/05/24/00/311052400.db2.gz NFELATWLRVBMJH-UHFFFAOYSA-N 0 0 328.397 3.293 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488329145 311061001 /nfs/dbraw/zinc/06/10/01/311061001.db2.gz OHMJGHQHXBXQHP-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000489020652 311089686 /nfs/dbraw/zinc/08/96/86/311089686.db2.gz UUAGFPAPVZPXTO-UHFFFAOYSA-N 0 0 332.306 3.000 10 5 EGBERN CSCCCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489202976 311095534 /nfs/dbraw/zinc/09/55/34/311095534.db2.gz JCWMTANAMHTEHC-UHFFFAOYSA-N 0 0 325.434 3.272 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCCc1ccc(F)cc1 ZINC000489998518 311128971 /nfs/dbraw/zinc/12/89/71/311128971.db2.gz KCOWARKDXITZBO-UHFFFAOYSA-N 0 0 346.362 3.053 10 5 EGBERN CC[C@@H]1CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000490612485 311146774 /nfs/dbraw/zinc/14/67/74/311146774.db2.gz ZHZNQLMWLNPQSO-MRVPVSSYSA-N 0 0 339.200 3.075 10 5 EGBERN O=c1[nH]ccc2c1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC000493474430 311382472 /nfs/dbraw/zinc/38/24/72/311382472.db2.gz SWAGZIOSLPSTNI-UHFFFAOYSA-N 0 0 348.362 3.320 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)C2)C1 ZINC000508423076 312094287 /nfs/dbraw/zinc/09/42/87/312094287.db2.gz RQWFFFHACUWMFQ-SCLBCKFNSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000511623475 312164777 /nfs/dbraw/zinc/16/47/77/312164777.db2.gz AEPZBVADDTVBFT-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN C[C@@H]1CCCC[C@@H]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512185713 312178169 /nfs/dbraw/zinc/17/81/69/312178169.db2.gz YXFSWEGMDYELSY-GHMZBOCLSA-N 0 0 332.447 3.151 10 5 EGBERN CCOc1c(F)cccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512949166 312198731 /nfs/dbraw/zinc/19/87/31/312198731.db2.gz RHMWTLNUXKDMSI-UHFFFAOYSA-N 0 0 346.358 3.447 10 5 EGBERN O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513412417 312209302 /nfs/dbraw/zinc/20/93/02/312209302.db2.gz ZIFIVKWWLGONED-NXEZZACHSA-N 0 0 328.290 3.463 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000517274641 312373241 /nfs/dbraw/zinc/37/32/41/312373241.db2.gz HNCFCQFUXUOCMI-CQSZACIVSA-N 0 0 329.404 3.026 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000519602680 312463980 /nfs/dbraw/zinc/46/39/80/312463980.db2.gz GLYSVHOFIWIQPC-CYBMUJFWSA-N 0 0 325.368 3.419 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000521164001 312533948 /nfs/dbraw/zinc/53/39/48/312533948.db2.gz JBGKYFRYEHZBFC-SJCJKPOMSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000524604776 312667651 /nfs/dbraw/zinc/66/76/51/312667651.db2.gz GNESIJDLFFIVFJ-VIFPVBQESA-N 0 0 334.825 3.127 10 5 EGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000534271683 313964306 /nfs/dbraw/zinc/96/43/06/313964306.db2.gz UZKSZHPJDUMIGS-OLZOCXBDSA-N 0 0 342.399 3.344 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000537449583 314182351 /nfs/dbraw/zinc/18/23/51/314182351.db2.gz LYNPRBSLHOCNLG-LBPRGKRZSA-N 0 0 330.340 3.318 10 5 EGBERN O=C(c1ccc2ccccc2c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538680606 314263805 /nfs/dbraw/zinc/26/38/05/314263805.db2.gz SEGFBDNNGGBNQP-UHFFFAOYSA-N 0 0 333.347 3.342 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(Br)cn1)C2 ZINC000539826240 314342692 /nfs/dbraw/zinc/34/26/92/314342692.db2.gz CLFAITBKBGIFKR-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN CCOC(=O)CN(Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000542000124 314511302 /nfs/dbraw/zinc/51/13/02/314511302.db2.gz HIQZQQXDKSWNBC-UHFFFAOYSA-N 0 0 328.796 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1C ZINC000542239694 314527697 /nfs/dbraw/zinc/52/76/97/314527697.db2.gz CQEXZQBRZWRFQU-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN O=C(NCCCNc1ccccc1F)NCc1cccc([N+](=O)[O-])c1 ZINC000543346757 314622321 /nfs/dbraw/zinc/62/23/21/314622321.db2.gz ZWWXVBGPBOJVAW-UHFFFAOYSA-N 0 0 346.362 3.035 10 5 EGBERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]2C ZINC000543789240 314656561 /nfs/dbraw/zinc/65/65/61/314656561.db2.gz XYOUMQXXWPSEPG-VXGBXAGGSA-N 0 0 341.367 3.146 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2Cc3ccccc3[C@H]2C)c1C ZINC000543977076 314665430 /nfs/dbraw/zinc/66/54/30/314665430.db2.gz DHPNREWRHXBBDE-CYBMUJFWSA-N 0 0 346.408 3.477 10 5 EGBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000544879701 314722624 /nfs/dbraw/zinc/72/26/24/314722624.db2.gz SCTJPBNSKYPBDG-LIRRHRJNSA-N 0 0 348.443 3.221 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000547408113 314898205 /nfs/dbraw/zinc/89/82/05/314898205.db2.gz JCWKIBYNOIWCKI-ZYHUDNBSSA-N 0 0 330.306 3.499 10 5 EGBERN CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(F)(F)F ZINC000548873450 315057054 /nfs/dbraw/zinc/05/70/54/315057054.db2.gz XRYGXKQPWDNLLT-UHFFFAOYSA-N 0 0 330.266 3.244 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000549209526 315081178 /nfs/dbraw/zinc/08/11/78/315081178.db2.gz QQLVINWBEDGZBL-NSHDSACASA-N 0 0 342.342 3.346 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC(c2ccccc2)C1 ZINC000549335956 315087374 /nfs/dbraw/zinc/08/73/74/315087374.db2.gz TXTBTAICAGZILC-UHFFFAOYSA-N 0 0 340.379 3.284 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@](C)(CC)C1 ZINC000549355160 315088056 /nfs/dbraw/zinc/08/80/56/315088056.db2.gz HLTGQBAUJWSSHF-KRWDZBQOSA-N 0 0 329.404 3.500 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC(C(C)(C)C)C1 ZINC000549901003 315109431 /nfs/dbraw/zinc/10/94/31/315109431.db2.gz MGYSRZAPLBMDMB-UHFFFAOYSA-N 0 0 326.418 3.006 10 5 EGBERN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cc(C)n1 ZINC000550064016 315115095 /nfs/dbraw/zinc/11/50/95/315115095.db2.gz DFBNWUIWGTYGAM-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CC1(C)CC[C@@H]2C[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])c3cccc1c32 ZINC000554862893 315353507 /nfs/dbraw/zinc/35/35/07/315353507.db2.gz BYDJXOSFMTWYJR-YGRLFVJLSA-N 0 0 340.383 3.348 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000555564472 315390947 /nfs/dbraw/zinc/39/09/47/315390947.db2.gz LETKOXSYBCZZEI-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CCC(C)C)c1[N+](=O)[O-] ZINC000557626705 315523272 /nfs/dbraw/zinc/52/32/72/315523272.db2.gz HSAKPGHQJFUTPY-CYBMUJFWSA-N 0 0 335.404 3.490 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562325619 315818867 /nfs/dbraw/zinc/81/88/67/315818867.db2.gz BDVSHLUYPTYJHK-UHFFFAOYSA-N 0 0 331.347 3.384 10 5 EGBERN C[C@@H](C(=O)N[C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000564720707 316193964 /nfs/dbraw/zinc/19/39/64/316193964.db2.gz GZFKLMJBZSAJFU-SJKOYZFVSA-N 0 0 325.368 3.361 10 5 EGBERN O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000564780059 316203427 /nfs/dbraw/zinc/20/34/27/316203427.db2.gz UPGGFPORYNNAJD-UHFFFAOYSA-N 0 0 345.786 3.396 10 5 EGBERN CC(=O)NCc1ccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000565598939 316344979 /nfs/dbraw/zinc/34/49/79/316344979.db2.gz XKPYMXZBFZTJAT-UHFFFAOYSA-N 0 0 340.383 3.248 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000566485485 316485471 /nfs/dbraw/zinc/48/54/71/316485471.db2.gz LDZHWSHPABMZSW-CQSZACIVSA-N 0 0 349.412 3.416 10 5 EGBERN Cc1cn2cc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000567255404 316591372 /nfs/dbraw/zinc/59/13/72/316591372.db2.gz XMJYEGIWYBMHBE-UHFFFAOYSA-N 0 0 339.355 3.215 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000567412464 316614237 /nfs/dbraw/zinc/61/42/37/316614237.db2.gz BVBQLVCWILNZSN-OLZOCXBDSA-N 0 0 344.415 3.306 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](OCC(F)(F)F)C1 ZINC000570060709 317002855 /nfs/dbraw/zinc/00/28/55/317002855.db2.gz ZVJBLGJVVNVXQK-JTQLQIEISA-N 0 0 334.294 3.151 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000570844965 317115791 /nfs/dbraw/zinc/11/57/91/317115791.db2.gz FZQXRBDKAXPPJW-ZIAGYGMSSA-N 0 0 342.399 3.304 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571398829 317193979 /nfs/dbraw/zinc/19/39/79/317193979.db2.gz AMGBTYXUIKXUSG-FZMZJTMJSA-N 0 0 335.404 3.102 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3ccc(OC(F)F)cn3)c2c1 ZINC000571426467 317198722 /nfs/dbraw/zinc/19/87/22/317198722.db2.gz NGEUTIYCBQYWHF-UHFFFAOYSA-N 0 0 348.309 3.149 10 5 EGBERN COC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000171425524 323234796 /nfs/dbraw/zinc/23/47/96/323234796.db2.gz RMNSWYXRKVAQOU-QGZVFWFLSA-N 0 0 339.351 3.194 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COCc1ccccc1 ZINC000171447207 323235428 /nfs/dbraw/zinc/23/54/28/323235428.db2.gz RZIDDAVCRGLXLJ-ZDUSSCGKSA-N 0 0 326.352 3.089 10 5 EGBERN Cc1c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cccc1N(C)C ZINC000180194211 323428458 /nfs/dbraw/zinc/42/84/58/323428458.db2.gz DIZPAIYWKONRSQ-UHFFFAOYSA-N 0 0 342.399 3.333 10 5 EGBERN Cc1csc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166722 323644989 /nfs/dbraw/zinc/64/49/89/323644989.db2.gz CBUAYDGPLGNZAW-MNOVXSKESA-N 0 0 334.401 3.038 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000350610802 324106911 /nfs/dbraw/zinc/10/69/11/324106911.db2.gz NFTOHDPWSZPVGQ-WFASDCNBSA-N 0 0 346.387 3.163 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000350612287 324107921 /nfs/dbraw/zinc/10/79/21/324107921.db2.gz SJHOKNBFBXXPOV-MFKMUULPSA-N 0 0 335.385 3.410 10 5 EGBERN CC(C)(C)n1cc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)cn1 ZINC000350945450 324144337 /nfs/dbraw/zinc/14/43/37/324144337.db2.gz IOMVGXHELITZGV-UHFFFAOYSA-N 0 0 342.359 3.208 10 5 EGBERN CCOc1ccc(-c2nc(-c3c(C)noc3C)no2)cc1[N+](=O)[O-] ZINC000351167816 324186116 /nfs/dbraw/zinc/18/61/16/324186116.db2.gz IQYOQQOFVUKAPM-UHFFFAOYSA-N 0 0 330.300 3.315 10 5 EGBERN O=C(Cc1ccccc1F)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576617922 324649420 /nfs/dbraw/zinc/64/94/20/324649420.db2.gz QJRFUVZHIAYKSA-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN C[C@@H]1CCCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577095927 324741959 /nfs/dbraw/zinc/74/19/59/324741959.db2.gz JUEQXBCMTCTZGQ-MNOVXSKESA-N 0 0 326.343 3.358 10 5 EGBERN Cc1ccc(OCCN(C)c2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000578781063 325018385 /nfs/dbraw/zinc/01/83/85/325018385.db2.gz YBRRZBJAAXTBDN-UHFFFAOYSA-N 0 0 344.396 3.423 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Cl)ccn1 ZINC000579282199 325087837 /nfs/dbraw/zinc/08/78/37/325087837.db2.gz XPKIHBNYHLOFQR-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN CCC[C@H](C)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000579965748 325184295 /nfs/dbraw/zinc/18/42/95/325184295.db2.gz PJGBORPRZYNXCG-BBRMVZONSA-N 0 0 349.431 3.040 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(OC)(C(F)(F)F)CC1 ZINC000579972957 325185402 /nfs/dbraw/zinc/18/54/02/325185402.db2.gz QRLJPUYXYPSIBW-UHFFFAOYSA-N 0 0 334.294 3.151 10 5 EGBERN CC(C)(NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000580546256 325265814 /nfs/dbraw/zinc/26/58/14/325265814.db2.gz VJRHCXJFVUNZLN-UHFFFAOYSA-N 0 0 330.388 3.106 10 5 EGBERN CCOC(=O)[C@@H](CC(C)C)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580627783 325275435 /nfs/dbraw/zinc/27/54/35/325275435.db2.gz WGUBICFWTAKIMT-QGZVFWFLSA-N 0 0 347.415 3.186 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H](CCO)c1ccccc1)CCCC2 ZINC000582841751 325474218 /nfs/dbraw/zinc/47/42/18/325474218.db2.gz BBUXWWGWFGTCIK-INIZCTEOSA-N 0 0 341.411 3.447 10 5 EGBERN CCOc1cccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000583469025 325526816 /nfs/dbraw/zinc/52/68/16/325526816.db2.gz TXMBJSUBFPWHLL-UHFFFAOYSA-N 0 0 347.346 3.497 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC=CCC1 ZINC000583785639 325551014 /nfs/dbraw/zinc/55/10/14/325551014.db2.gz MVDDZRVQQFBXDW-CYBMUJFWSA-N 0 0 342.399 3.274 10 5 EGBERN COC(=O)c1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000425275711 457479202 /nfs/dbraw/zinc/47/92/02/457479202.db2.gz UHBYKYQBLNMEHE-LURJTMIESA-N 0 0 342.764 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2C(C)=O)c1 ZINC000157727854 455225651 /nfs/dbraw/zinc/22/56/51/455225651.db2.gz ROLNPEAWRJRBKL-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000594572585 459095026 /nfs/dbraw/zinc/09/50/26/459095026.db2.gz NZPKTHYAUUZUOB-ZDUSSCGKSA-N 0 0 334.294 3.151 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594600532 459105173 /nfs/dbraw/zinc/10/51/73/459105173.db2.gz LZAXQLGSUSJHSY-VHSXEESVSA-N 0 0 336.314 3.032 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173211692 455248031 /nfs/dbraw/zinc/24/80/31/455248031.db2.gz KQCNMUJYAWKSGH-NXEZZACHSA-N 0 0 332.809 3.057 10 5 EGBERN CC(=O)Nc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000183294313 455271934 /nfs/dbraw/zinc/27/19/34/455271934.db2.gz WGFVPXSNFZVIJW-UHFFFAOYSA-N 0 0 339.395 3.420 10 5 EGBERN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1 ZINC000000158908 452525317 /nfs/dbraw/zinc/52/53/17/452525317.db2.gz BNWSFBZNPRJXKE-UHFFFAOYSA-N 0 0 343.393 3.273 10 5 EGBERN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245451034 455304102 /nfs/dbraw/zinc/30/41/02/455304102.db2.gz PDFWYICYZGVEGC-MLGOLLRUSA-N 0 0 343.383 3.260 10 5 EGBERN CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000003490999 452771748 /nfs/dbraw/zinc/77/17/48/452771748.db2.gz GIPIHSBHJDKVBT-UHFFFAOYSA-N 0 0 328.324 3.008 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000003541988 452779284 /nfs/dbraw/zinc/77/92/84/452779284.db2.gz YOSSFGXJMCMBGC-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN Cc1ccc(OCc2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])n1 ZINC000006509422 452949124 /nfs/dbraw/zinc/94/91/24/452949124.db2.gz RAJDXGUQVLJEKT-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccc(F)cc1 ZINC000007267461 453053392 /nfs/dbraw/zinc/05/33/92/453053392.db2.gz MJDKNNQLGKAALM-LBPRGKRZSA-N 0 0 331.347 3.193 10 5 EGBERN COc1ccc(OC)c([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000008376293 453199671 /nfs/dbraw/zinc/19/96/71/453199671.db2.gz GMIYPNCLYSZGIZ-VIFPVBQESA-N 0 0 348.384 3.494 10 5 EGBERN C[C@H](C(=O)N1CC(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600760191 460593810 /nfs/dbraw/zinc/59/38/10/460593810.db2.gz HMDNXYYSLSLTAZ-LBPRGKRZSA-N 0 0 330.409 3.461 10 5 EGBERN COc1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012767846 453400474 /nfs/dbraw/zinc/40/04/74/453400474.db2.gz XUGYFOSWHWHOFT-KRWDZBQOSA-N 0 0 342.351 3.002 10 5 EGBERN Cc1c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] ZINC000012769988 453402934 /nfs/dbraw/zinc/40/29/34/453402934.db2.gz GRRQGVMYUAKPOJ-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN CS(=O)(=O)c1ccc(Sc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000018061941 453641884 /nfs/dbraw/zinc/64/18/84/453641884.db2.gz XKUWIGUVEYLTJM-UHFFFAOYSA-N 0 0 345.348 3.428 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000021614519 453678719 /nfs/dbraw/zinc/67/87/19/453678719.db2.gz ABFUCYHWXXENHZ-MRXNPFEDSA-N 0 0 340.379 3.476 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000024314543 453730583 /nfs/dbraw/zinc/73/05/83/453730583.db2.gz SFKNKNJWOZSOHE-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN Cc1c(NCC(=O)N[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000025604276 453779064 /nfs/dbraw/zinc/77/90/64/453779064.db2.gz MJGVEHSQOCQOCM-LBPRGKRZSA-N 0 0 331.347 3.332 10 5 EGBERN Cc1csc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236522 455364782 /nfs/dbraw/zinc/36/47/82/455364782.db2.gz NJLOJDXPUBJGIW-WDEREUQCSA-N 0 0 334.401 3.038 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)no1 ZINC000029233907 453827510 /nfs/dbraw/zinc/82/75/10/453827510.db2.gz DNKZPANVUSBEBI-WAVCKPEOSA-N 0 0 327.340 3.268 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000031212947 453842115 /nfs/dbraw/zinc/84/21/15/453842115.db2.gz KXPFKTQCAFWFLG-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)N[C@H](c1cccs1)C1CCCC1 ZINC000031803552 453855220 /nfs/dbraw/zinc/85/52/20/453855220.db2.gz SDZZEXPSBRLFJU-INIZCTEOSA-N 0 0 348.428 3.291 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(c3ccc(Cl)cn3)CC2)cs1 ZINC000066868677 453881973 /nfs/dbraw/zinc/88/19/73/453881973.db2.gz XLWJAZRIZLTDOG-UHFFFAOYSA-N 0 0 338.820 3.027 10 5 EGBERN C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000032679767 453883105 /nfs/dbraw/zinc/88/31/05/453883105.db2.gz GILLUZIKQSWFLG-LLVKDONJSA-N 0 0 343.339 3.249 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)Cc1csc([N+](=O)[O-])c1 ZINC000054172919 453914594 /nfs/dbraw/zinc/91/45/94/453914594.db2.gz UGSBTEWSBSXKDH-UHFFFAOYSA-N 0 0 328.397 3.474 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536250 453940132 /nfs/dbraw/zinc/94/01/32/453940132.db2.gz YGUYDCZIAYZHKJ-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN COCc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)no1 ZINC000076091194 453962343 /nfs/dbraw/zinc/96/23/43/453962343.db2.gz WOPKCVSJYYZGLD-UHFFFAOYSA-N 0 0 345.355 3.319 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067869059 453974963 /nfs/dbraw/zinc/97/49/63/453974963.db2.gz ORVRCUALMQABNU-DLBZAZTESA-N 0 0 335.363 3.222 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c([N+](=O)[O-])c1 ZINC000067976610 453985770 /nfs/dbraw/zinc/98/57/70/453985770.db2.gz FNLUYELJXYIPAW-HNNXBMFYSA-N 0 0 348.742 3.199 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cncn2)cc1 ZINC000042096836 453993351 /nfs/dbraw/zinc/99/33/51/453993351.db2.gz YXVNFGVXKZPCTF-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COc1ccc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c(OC)c1 ZINC000042111129 453994459 /nfs/dbraw/zinc/99/44/59/453994459.db2.gz SITLVCLJGACZFW-SECBINFHSA-N 0 0 348.384 3.494 10 5 EGBERN COc1cc(N2CCC(COc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000085689564 454037386 /nfs/dbraw/zinc/03/73/86/454037386.db2.gz GWZAGBFDSHBAQH-UHFFFAOYSA-N 0 0 343.383 3.294 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000043531345 454067121 /nfs/dbraw/zinc/06/71/21/454067121.db2.gz BKGZFYONIRIZDL-ZDUSSCGKSA-N 0 0 334.397 3.084 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087355086 454079657 /nfs/dbraw/zinc/07/96/57/454079657.db2.gz BTWJSFHJILELQW-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000069285229 454092288 /nfs/dbraw/zinc/09/22/88/454092288.db2.gz HKSFCKVSMVYLSN-QWRGUYRKSA-N 0 0 334.401 3.481 10 5 EGBERN Cc1ccc(CNc2ncccc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000088743785 454118367 /nfs/dbraw/zinc/11/83/67/454118367.db2.gz NUBAGGXTQUILHH-CQSZACIVSA-N 0 0 343.383 3.326 10 5 EGBERN COCCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045226544 454146741 /nfs/dbraw/zinc/14/67/41/454146741.db2.gz CBMOURYIIAHRHG-UHFFFAOYSA-N 0 0 340.426 3.315 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000045240701 454147385 /nfs/dbraw/zinc/14/73/85/454147385.db2.gz UZKXEFZWZFTXSO-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1[nH]c(CN(C)C(=O)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000089547799 454161741 /nfs/dbraw/zinc/16/17/41/454161741.db2.gz RPIRIXSNXXPPIV-UHFFFAOYSA-N 0 0 330.388 3.298 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000070728340 454173278 /nfs/dbraw/zinc/17/32/78/454173278.db2.gz RLTWBGBKORTPOW-NSHDSACASA-N 0 0 346.412 3.493 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089689879 454177905 /nfs/dbraw/zinc/17/79/05/454177905.db2.gz XBIXPKIYMNKFGM-SECBINFHSA-N 0 0 343.767 3.102 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2ccccc2)CCCCC1 ZINC000070957315 454189101 /nfs/dbraw/zinc/18/91/01/454189101.db2.gz YKRHPLBIKKUVLX-UHFFFAOYSA-N 0 0 342.399 3.076 10 5 EGBERN CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000078149455 454202051 /nfs/dbraw/zinc/20/20/51/454202051.db2.gz CAGMQROVVAQNQT-GFCCVEGCSA-N 0 0 329.356 3.283 10 5 EGBERN C[C@@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccccc1 ZINC000130605770 454208001 /nfs/dbraw/zinc/20/80/01/454208001.db2.gz NUKWXCIIBNODFL-LBPRGKRZSA-N 0 0 325.324 3.215 10 5 EGBERN Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(-c2ccccn2)n1 ZINC000078454529 454255991 /nfs/dbraw/zinc/25/59/91/454255991.db2.gz OZVNTVJZHHLJBW-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(CC(F)F)CC2)nc1-c1ccccc1 ZINC000090086299 454275242 /nfs/dbraw/zinc/27/52/42/454275242.db2.gz CCDSFRJGXWHSCK-UHFFFAOYSA-N 0 0 348.353 3.044 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C)n1 ZINC000184700584 455431807 /nfs/dbraw/zinc/43/18/07/455431807.db2.gz OQZQEVHTBXCUHM-OAHLLOKOSA-N 0 0 327.384 3.183 10 5 EGBERN CC[C@H](NS(=O)(=O)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090222000 454293961 /nfs/dbraw/zinc/29/39/61/454293961.db2.gz ZELSURKWKOBIAB-AWEZNQCLSA-N 0 0 328.434 3.402 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cn1 ZINC000072529970 454305344 /nfs/dbraw/zinc/30/53/44/454305344.db2.gz GVQSESPUPICFTO-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN CC[C@H](NC(=O)c1cccc(C(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466710 454309795 /nfs/dbraw/zinc/30/97/95/454309795.db2.gz LBTPOJVJSFMKTC-INIZCTEOSA-N 0 0 342.351 3.263 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000060921837 454319569 /nfs/dbraw/zinc/31/95/69/454319569.db2.gz JDGSTGFVIDGFAY-ZDUSSCGKSA-N 0 0 340.445 3.493 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2F)CC1 ZINC000090632127 454331108 /nfs/dbraw/zinc/33/11/08/454331108.db2.gz HLMCBVOETSUGPX-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN CCC(CC)[C@@H](O)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090687865 454336893 /nfs/dbraw/zinc/33/68/93/454336893.db2.gz FYEUSOCLUAMRTM-HOTGVXAUSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1c(Cn2c3ccccc3nc2NC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000047369989 454364558 /nfs/dbraw/zinc/36/45/58/454364558.db2.gz GVXAZMNFFSHWLH-LBPRGKRZSA-N 0 0 340.383 3.094 10 5 EGBERN COc1cccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000079112532 454370422 /nfs/dbraw/zinc/37/04/22/454370422.db2.gz VZKVNJGDDHNYPY-SFHVURJKSA-N 0 0 339.351 3.301 10 5 EGBERN CN(Cc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000072990949 454378061 /nfs/dbraw/zinc/37/80/61/454378061.db2.gz PBOZOCPAIARHEL-UHFFFAOYSA-N 0 0 344.758 3.121 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097094980 454404872 /nfs/dbraw/zinc/40/48/72/454404872.db2.gz CFPVLHPPNFFLBD-JTQLQIEISA-N 0 0 346.391 3.132 10 5 EGBERN CN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000073304033 454419422 /nfs/dbraw/zinc/41/94/22/454419422.db2.gz RLKWJTKUCDRQBI-OAHLLOKOSA-N 0 0 332.743 3.215 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)cc1 ZINC000064243154 454469272 /nfs/dbraw/zinc/46/92/72/454469272.db2.gz PXHLXTCMFKOYMR-LBPRGKRZSA-N 0 0 340.426 3.394 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000133952287 454486592 /nfs/dbraw/zinc/48/65/92/454486592.db2.gz MPMAPLIIHDQUAZ-PBHICJAKSA-N 0 0 341.367 3.405 10 5 EGBERN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1[N+](=O)[O-] ZINC000092198344 454534907 /nfs/dbraw/zinc/53/49/07/454534907.db2.gz XCMRLEPKQWEXJI-QGZVFWFLSA-N 0 0 339.351 3.332 10 5 EGBERN COc1ccc(-c2cnc(COc3cccnc3[N+](=O)[O-])o2)cc1 ZINC000065279515 454548546 /nfs/dbraw/zinc/54/85/46/454548546.db2.gz XJQPSQFKQUBRBV-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccs2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065513502 454580906 /nfs/dbraw/zinc/58/09/06/454580906.db2.gz ICHXDDRFBMFWRA-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN Cc1ccc(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000122916824 454581798 /nfs/dbraw/zinc/58/17/98/454581798.db2.gz PFWGZGJLUPHGGR-UHFFFAOYSA-N 0 0 327.340 3.179 10 5 EGBERN CSCCCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000123100089 454601903 /nfs/dbraw/zinc/60/19/03/454601903.db2.gz XAVGKRWBIBMWHU-UHFFFAOYSA-N 0 0 348.428 3.114 10 5 EGBERN CCc1nc(CCNc2cc(OC)cc(F)c2[N+](=O)[O-])cs1 ZINC000080610916 454606875 /nfs/dbraw/zinc/60/68/75/454606875.db2.gz XEKGLVNKBWWYRN-UHFFFAOYSA-N 0 0 325.365 3.416 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000080804827 454637070 /nfs/dbraw/zinc/63/70/70/454637070.db2.gz SGLWJVGNOYDVEI-NSHDSACASA-N 0 0 349.412 3.421 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCC[C@@H]12 ZINC000066000302 454648714 /nfs/dbraw/zinc/64/87/14/454648714.db2.gz PIBCCRUZXHEBTO-GRYCIOLGSA-N 0 0 344.458 3.246 10 5 EGBERN COc1cccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000600925596 460646373 /nfs/dbraw/zinc/64/63/73/460646373.db2.gz GQVIXKHNGBCLLA-UHFFFAOYSA-N 0 0 340.379 3.342 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000105848443 454658689 /nfs/dbraw/zinc/65/86/89/454658689.db2.gz MJBPDPAVWTZDPR-HNNXBMFYSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000105850462 454658985 /nfs/dbraw/zinc/65/89/85/454658985.db2.gz FDCBFSRCLLAEFQ-HNNXBMFYSA-N 0 0 346.362 3.062 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3ccccc32)c1 ZINC000052279359 454666047 /nfs/dbraw/zinc/66/60/47/454666047.db2.gz FMDZYEQZEOHEOM-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000105908379 454668555 /nfs/dbraw/zinc/66/85/55/454668555.db2.gz QESYYBBZXYLGLD-CYBMUJFWSA-N 0 0 348.790 3.230 10 5 EGBERN CCOc1ccccc1CN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000052472410 454676397 /nfs/dbraw/zinc/67/63/97/454676397.db2.gz FVAXPFPJECOZGX-UHFFFAOYSA-N 0 0 332.385 3.339 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000106600549 454704838 /nfs/dbraw/zinc/70/48/38/454704838.db2.gz XCEALCRQZWRUSL-LSDHHAIUSA-N 0 0 342.351 3.354 10 5 EGBERN Cc1ccccc1Cc1nnc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000124606492 454753044 /nfs/dbraw/zinc/75/30/44/454753044.db2.gz ITGNOHKSFJJHAF-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2cc(F)cc3cccnc32)c1 ZINC000162196919 454758472 /nfs/dbraw/zinc/75/84/72/454758472.db2.gz VMIYBTUPMBPIFO-UHFFFAOYSA-N 0 0 332.360 3.412 10 5 EGBERN Cc1ccccc1NC(=O)[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093536 454759742 /nfs/dbraw/zinc/75/97/42/454759742.db2.gz CUMVBLNVVKQHBR-CQSZACIVSA-N 0 0 339.395 3.289 10 5 EGBERN CC[C@@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708399 454773772 /nfs/dbraw/zinc/77/37/72/454773772.db2.gz IHOURZYCBVSLQT-SUMWQHHRSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000162413712 454774351 /nfs/dbraw/zinc/77/43/51/454774351.db2.gz CURULWHLGQPGFO-UHFFFAOYSA-N 0 0 346.427 3.193 10 5 EGBERN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000125025636 454791999 /nfs/dbraw/zinc/79/19/99/454791999.db2.gz ZFQFGPCLOWLZKS-CQSZACIVSA-N 0 0 328.368 3.409 10 5 EGBERN CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125254571 454807976 /nfs/dbraw/zinc/80/79/76/454807976.db2.gz SHFGGTFMJLFTLQ-LBPRGKRZSA-N 0 0 326.418 3.015 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000163117104 454824371 /nfs/dbraw/zinc/82/43/71/454824371.db2.gz SAPGCGOEGANUJM-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000163140249 454826368 /nfs/dbraw/zinc/82/63/68/454826368.db2.gz IYOGIDLPQLMVMK-CQSZACIVSA-N 0 0 342.351 3.323 10 5 EGBERN CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125667079 454837745 /nfs/dbraw/zinc/83/77/45/454837745.db2.gz AWBCWOWHLSYXGU-INIZCTEOSA-N 0 0 340.445 3.405 10 5 EGBERN CSCCCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000125965282 454860581 /nfs/dbraw/zinc/86/05/81/454860581.db2.gz AUUJPJXXCRGYAX-LLVKDONJSA-N 0 0 328.459 3.335 10 5 EGBERN CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000126089066 454869364 /nfs/dbraw/zinc/86/93/64/454869364.db2.gz AVDAYECBNZOCHV-CQSZACIVSA-N 0 0 326.418 3.379 10 5 EGBERN CCOc1cc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000149464466 454876216 /nfs/dbraw/zinc/87/62/16/454876216.db2.gz NBIOLLNMWFNGJG-UHFFFAOYSA-N 0 0 331.324 3.242 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000151080828 454934481 /nfs/dbraw/zinc/93/44/81/454934481.db2.gz OEOGHTWGNCYHNU-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN Cc1nn(CCC(=O)O[C@@H]2C=C(C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000170617736 454943110 /nfs/dbraw/zinc/94/31/10/454943110.db2.gz SBSKNEVYPRQREJ-CQSZACIVSA-N 0 0 335.404 3.476 10 5 EGBERN CCNC(=O)N1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000127175871 454943908 /nfs/dbraw/zinc/94/39/08/454943908.db2.gz LOQJRTSQJXQDEN-QMMMGPOBSA-N 0 0 347.202 3.117 10 5 EGBERN Cc1c(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000154979671 454950315 /nfs/dbraw/zinc/95/03/15/454950315.db2.gz LTNDSBVIBQIQPV-CJNGLKHVSA-N 0 0 335.404 3.356 10 5 EGBERN Cc1c(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000154979772 454950777 /nfs/dbraw/zinc/95/07/77/454950777.db2.gz LTNDSBVIBQIQPV-XJKSGUPXSA-N 0 0 335.404 3.356 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000127359870 454957387 /nfs/dbraw/zinc/95/73/87/454957387.db2.gz KUPXKAZFDQRQAW-CVEARBPZSA-N 0 0 332.400 3.323 10 5 EGBERN COc1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000151366553 454975790 /nfs/dbraw/zinc/97/57/90/454975790.db2.gz ACYSIZXREHWHKQ-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000170804531 454980575 /nfs/dbraw/zinc/98/05/75/454980575.db2.gz VARGDLIWSCWZLH-NSHDSACASA-N 0 0 334.401 3.262 10 5 EGBERN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000170845787 454986527 /nfs/dbraw/zinc/98/65/27/454986527.db2.gz WGTFOXDQLPPDQM-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151488432 454991912 /nfs/dbraw/zinc/99/19/12/454991912.db2.gz XRCCUEMQHCUDPB-UHFFFAOYSA-N 0 0 346.408 3.186 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151503047 454994176 /nfs/dbraw/zinc/99/41/76/454994176.db2.gz VZLHIBDIMYLPOJ-UHFFFAOYSA-N 0 0 343.261 3.183 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151568981 455002366 /nfs/dbraw/zinc/00/23/66/455002366.db2.gz KDPOKQSYKWZQCG-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160815526 455502259 /nfs/dbraw/zinc/50/22/59/455502259.db2.gz ZSKSSXGHKHMHGV-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000185112371 455504260 /nfs/dbraw/zinc/50/42/60/455504260.db2.gz QLQYUWWKGBHUPQ-GFCCVEGCSA-N 0 0 345.384 3.342 10 5 EGBERN COc1cc(OCC(=O)N[C@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155628147 455024919 /nfs/dbraw/zinc/02/49/19/455024919.db2.gz GONVYZVEVUNSCZ-GJZGRUSLSA-N 0 0 348.399 3.067 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151750200 455025370 /nfs/dbraw/zinc/02/53/70/455025370.db2.gz QZKYSACSEUOVST-SJCJKPOMSA-N 0 0 326.352 3.059 10 5 EGBERN Cc1sc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151767190 455027637 /nfs/dbraw/zinc/02/76/37/455027637.db2.gz WVRLEHYDRSSNOZ-MEBBXXQBSA-N 0 0 346.408 3.429 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155677128 455030110 /nfs/dbraw/zinc/03/01/10/455030110.db2.gz MNKJEDXPWFAQIQ-UHFFFAOYSA-N 0 0 349.774 3.071 10 5 EGBERN C[C@@H](C[C@H]1CCOC1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612553568 460658671 /nfs/dbraw/zinc/65/86/71/460658671.db2.gz DMYLHBQAHZYLEK-VHSXEESVSA-N 0 0 346.305 3.159 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000172037868 455112242 /nfs/dbraw/zinc/11/22/42/455112242.db2.gz PCLHBGOIKQOKBO-HNNXBMFYSA-N 0 0 346.770 3.431 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000156536539 455129320 /nfs/dbraw/zinc/12/93/20/455129320.db2.gz GTGWRJJMBGHEIG-LLVKDONJSA-N 0 0 329.360 3.084 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000129947701 455134553 /nfs/dbraw/zinc/13/45/53/455134553.db2.gz BGYOXAIPIJPRBD-LRDDRELGSA-N 0 0 326.352 3.198 10 5 EGBERN O=C(N[C@@H]1CCCc2occc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130006510 455137993 /nfs/dbraw/zinc/13/79/93/455137993.db2.gz SVNULFLZKDYGQL-OAHLLOKOSA-N 0 0 325.324 3.477 10 5 EGBERN Cc1csc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000600985606 460664719 /nfs/dbraw/zinc/66/47/19/460664719.db2.gz QACZUYGMNVTPCZ-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000172615290 455165025 /nfs/dbraw/zinc/16/50/25/455165025.db2.gz PLYDBFIJUNYVDT-LBPRGKRZSA-N 0 0 334.401 3.344 10 5 EGBERN CCn1nc(C)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000172825236 455192900 /nfs/dbraw/zinc/19/29/00/455192900.db2.gz XLBGZNOZCMVRLX-UHFFFAOYSA-N 0 0 327.344 3.162 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4cccs4)C3)nc2c1 ZINC000157501494 455201280 /nfs/dbraw/zinc/20/12/80/455201280.db2.gz XVLJZKROEBUVAQ-CQSZACIVSA-N 0 0 345.380 3.371 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000181066263 455283622 /nfs/dbraw/zinc/28/36/22/455283622.db2.gz FTCSZTSXLQEGJM-HNNXBMFYSA-N 0 0 345.330 3.081 10 5 EGBERN CCCC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000183632461 455314212 /nfs/dbraw/zinc/31/42/12/455314212.db2.gz ROHXJSXGFLXFCH-LLVKDONJSA-N 0 0 342.417 3.287 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000600993601 460667765 /nfs/dbraw/zinc/66/77/65/460667765.db2.gz ITCPBDRNIOGLRX-MZBDJJRSSA-N 0 0 344.411 3.339 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000181298472 455314376 /nfs/dbraw/zinc/31/43/76/455314376.db2.gz QPILIXBJTNZVQB-CQSZACIVSA-N 0 0 329.331 3.124 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-] ZINC000183676255 455319347 /nfs/dbraw/zinc/31/93/47/455319347.db2.gz HMAMXAJOQQAARE-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000174337189 455380643 /nfs/dbraw/zinc/38/06/43/455380643.db2.gz RFBNZSXIIAKWSU-VIFPVBQESA-N 0 0 335.310 3.110 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](CC)C(=O)OCC ZINC000190940690 455410048 /nfs/dbraw/zinc/41/00/48/455410048.db2.gz QFRDUHBVQZPFIJ-NSHDSACASA-N 0 0 342.417 3.159 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266870825 455465859 /nfs/dbraw/zinc/46/58/59/455465859.db2.gz KFBQYPZJTLBXGB-QGZVFWFLSA-N 0 0 327.384 3.230 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2scnc2-c2ccccc2)n1 ZINC000191584768 455500843 /nfs/dbraw/zinc/50/08/43/455500843.db2.gz APTQCVWLPGHFJZ-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCc1ncc(C)s1 ZINC000185149441 455510996 /nfs/dbraw/zinc/51/09/96/455510996.db2.gz LRXRVVRMBZHJEH-ZRDIBKRKSA-N 0 0 345.424 3.464 10 5 EGBERN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086492 455532017 /nfs/dbraw/zinc/53/20/17/455532017.db2.gz YJDIJCOVCKBUAG-GWCFXTLKSA-N 0 0 334.401 3.119 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000612607011 460677107 /nfs/dbraw/zinc/67/71/07/460677107.db2.gz LCEJCVVVBFITOH-MRXNPFEDSA-N 0 0 325.324 3.046 10 5 EGBERN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1OCCC(C)C ZINC000271388553 455619997 /nfs/dbraw/zinc/61/99/97/455619997.db2.gz KUSAUBVDTUXNAM-UHFFFAOYSA-N 0 0 346.387 3.314 10 5 EGBERN O=c1cc(C2CC2)nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000284174908 455646696 /nfs/dbraw/zinc/64/66/96/455646696.db2.gz JQEXEHJRPHWFHH-UHFFFAOYSA-N 0 0 348.340 3.168 10 5 EGBERN CC[C@H]1CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000292486525 455677254 /nfs/dbraw/zinc/67/72/54/455677254.db2.gz CDWHGOZUUXELFT-NSHDSACASA-N 0 0 331.294 3.308 10 5 EGBERN O=C(NCC1CCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277834746 455680824 /nfs/dbraw/zinc/68/08/24/455680824.db2.gz ZKNBTHRAROTHEZ-UHFFFAOYSA-N 0 0 336.391 3.250 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000268515502 455704876 /nfs/dbraw/zinc/70/48/76/455704876.db2.gz YATGAAYINVAKDH-YUELXQCFSA-N 0 0 334.372 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277921532 455709040 /nfs/dbraw/zinc/70/90/40/455709040.db2.gz DVPGSQDIGJCUNP-VIFPVBQESA-N 0 0 347.293 3.410 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248392405 455712681 /nfs/dbraw/zinc/71/26/81/455712681.db2.gz KPEQAEDSHYISBB-NXHRZFHOSA-N 0 0 346.427 3.334 10 5 EGBERN CCCN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277945524 455717279 /nfs/dbraw/zinc/71/72/79/455717279.db2.gz RZJDPOIVELFWJY-UHFFFAOYSA-N 0 0 349.434 3.261 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])s3)cn(C)c2c1 ZINC000186550880 455791471 /nfs/dbraw/zinc/79/14/71/455791471.db2.gz FRSUPXMVOQZUDC-UHFFFAOYSA-N 0 0 343.408 3.429 10 5 EGBERN CC(C)C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271976523 455810437 /nfs/dbraw/zinc/81/04/37/455810437.db2.gz LDXFIUYVMPODKI-GXTWGEPZSA-N 0 0 345.399 3.400 10 5 EGBERN CO[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000294503788 455818549 /nfs/dbraw/zinc/81/85/49/455818549.db2.gz JXVCCNKMJANCAT-KRWDZBQOSA-N 0 0 336.391 3.248 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000186790509 455837154 /nfs/dbraw/zinc/83/71/54/455837154.db2.gz SWMGZOZDVFYHKQ-SNVBAGLBSA-N 0 0 331.328 3.192 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272135088 455855994 /nfs/dbraw/zinc/85/59/94/455855994.db2.gz SWYYUBASVVOCST-OCCSQVGLSA-N 0 0 340.807 3.117 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000285654801 455889542 /nfs/dbraw/zinc/88/95/42/455889542.db2.gz OKIYECIHJIVDSP-LLVKDONJSA-N 0 0 345.355 3.267 10 5 EGBERN Cc1cc([C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C2CC2)ccc1F ZINC000270202847 455900965 /nfs/dbraw/zinc/90/09/65/455900965.db2.gz CMJWEQBTYWOIRE-OAHLLOKOSA-N 0 0 344.346 3.099 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCc2ccccc2C1 ZINC000270224012 455906122 /nfs/dbraw/zinc/90/61/22/455906122.db2.gz MTJNGPJSIYROIJ-MRXNPFEDSA-N 0 0 349.390 3.292 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000280251901 455927100 /nfs/dbraw/zinc/92/71/00/455927100.db2.gz OMMOUQMVETYTPT-UHFFFAOYSA-N 0 0 343.387 3.278 10 5 EGBERN Cc1cc(C)c(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c(C)n1 ZINC000601086488 460703615 /nfs/dbraw/zinc/70/36/15/460703615.db2.gz SMOYWMZAQDLSCX-UHFFFAOYSA-N 0 0 327.384 3.004 10 5 EGBERN Cc1ccccc1OCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195497923 455969324 /nfs/dbraw/zinc/96/93/24/455969324.db2.gz NDORPNVBBHLXDK-UHFFFAOYSA-N 0 0 339.351 3.193 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1 ZINC000195519087 455978840 /nfs/dbraw/zinc/97/88/40/455978840.db2.gz JIRRAYIEALBENC-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270780214 456037048 /nfs/dbraw/zinc/03/70/48/456037048.db2.gz ONSLUYXHLRXOTP-GOEBONIOSA-N 0 0 334.326 3.125 10 5 EGBERN CO[C@H](C)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000188291672 456037332 /nfs/dbraw/zinc/03/73/32/456037332.db2.gz YFNDLCDWNSAXKU-QWHCGFSZSA-N 0 0 343.383 3.492 10 5 EGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C ZINC000188324023 456044211 /nfs/dbraw/zinc/04/42/11/456044211.db2.gz GWNDBJGIXHEQOP-YGRLFVJLSA-N 0 0 330.331 3.053 10 5 EGBERN C[C@H](Oc1ccc2c(c1)CCCNC2=O)c1cccc([N+](=O)[O-])c1 ZINC000270881201 456058591 /nfs/dbraw/zinc/05/85/91/456058591.db2.gz FHCPENQSKBIDFM-LBPRGKRZSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1ccnc(N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000301306902 456087178 /nfs/dbraw/zinc/08/71/78/456087178.db2.gz VGBNAPLEXQGFAZ-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN Cc1cc(C)c(NC(=O)CNc2ncc(F)cc2[N+](=O)[O-])c(C)c1 ZINC000601100130 460709802 /nfs/dbraw/zinc/70/98/02/460709802.db2.gz MINYCLBCGVZAOY-UHFFFAOYSA-N 0 0 332.335 3.105 10 5 EGBERN O=C(c1ccccc1)c1ccc(NC[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000301334841 456092433 /nfs/dbraw/zinc/09/24/33/456092433.db2.gz CMZKBSXKPZNVON-QAPCUYQASA-N 0 0 340.379 3.399 10 5 EGBERN Cc1ccnc(N2CCC[C@](O)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000225649666 456101347 /nfs/dbraw/zinc/10/13/47/456101347.db2.gz RKXLGMLHTGZQEA-GOSISDBHSA-N 0 0 327.384 3.176 10 5 EGBERN Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Br)o1 ZINC000226547883 456110797 /nfs/dbraw/zinc/11/07/97/456110797.db2.gz PPXJDPOKARCRTL-ZETCQYMHSA-N 0 0 327.138 3.222 10 5 EGBERN CCOc1cc(NC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000301439812 456115858 /nfs/dbraw/zinc/11/58/58/456115858.db2.gz MBAUPTRZKWTVDK-ZDUSSCGKSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1cc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(C)c1O ZINC000188726573 456122637 /nfs/dbraw/zinc/12/26/37/456122637.db2.gz ZHQKTTYXPFZUNG-UHFFFAOYSA-N 0 0 342.395 3.127 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H]1CCC[C@@H]1O ZINC000301470821 456123044 /nfs/dbraw/zinc/12/30/44/456123044.db2.gz OZBQELWAFBWYKA-HQJQHLMTSA-N 0 0 349.265 3.095 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc(OC)c(F)c1 ZINC000301474277 456124837 /nfs/dbraw/zinc/12/48/37/456124837.db2.gz MTHKJQYRINRDCA-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN Cc1nc(C)c(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601116139 460715606 /nfs/dbraw/zinc/71/56/06/460715606.db2.gz OTEYLMYLVKJPDB-UHFFFAOYSA-N 0 0 349.338 3.075 10 5 EGBERN CCOc1cc(N[C@@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000301561973 456147770 /nfs/dbraw/zinc/14/77/70/456147770.db2.gz IPXSWZWOUUYNCW-NSHDSACASA-N 0 0 332.404 3.387 10 5 EGBERN Cc1noc(C)c1[C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116224 460716171 /nfs/dbraw/zinc/71/61/71/460716171.db2.gz IQJRYNIAXJSKSD-YFKPBYRVSA-N 0 0 333.270 3.125 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](c3cccs3)C2)c1 ZINC000301632580 456168937 /nfs/dbraw/zinc/16/89/37/456168937.db2.gz CZWLFHHLJQYARP-CYBMUJFWSA-N 0 0 338.360 3.382 10 5 EGBERN Cc1nc(NCCc2csc(N3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000301645323 456173042 /nfs/dbraw/zinc/17/30/42/456173042.db2.gz HONLLJADFKXNOL-UHFFFAOYSA-N 0 0 333.417 3.010 10 5 EGBERN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000601119004 460717529 /nfs/dbraw/zinc/71/75/29/460717529.db2.gz KGHYCTWGRGCKIV-BMIGLBTASA-N 0 0 335.310 3.234 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ccc(Cl)nc2)c1 ZINC000301662221 456176960 /nfs/dbraw/zinc/17/69/60/456176960.db2.gz MZROSUUONOUCML-UHFFFAOYSA-N 0 0 325.727 3.446 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000301661714 456177715 /nfs/dbraw/zinc/17/77/15/456177715.db2.gz MUKGOQHFSZHYBT-MHZIXSSMSA-N 0 0 346.383 3.151 10 5 EGBERN CS[C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301669384 456180093 /nfs/dbraw/zinc/18/00/93/456180093.db2.gz DQCRLKVTRUHMOA-NXEZZACHSA-N 0 0 337.401 3.012 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000301754336 456207246 /nfs/dbraw/zinc/20/72/46/456207246.db2.gz CLOCDJPAUFPLQS-CYUPMTOZSA-N 0 0 334.372 3.151 10 5 EGBERN COc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc(OC)c1O ZINC000301760612 456207601 /nfs/dbraw/zinc/20/76/01/456207601.db2.gz BIERBNAEFGHFNC-UHFFFAOYSA-N 0 0 340.282 3.208 10 5 EGBERN Cc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000301787712 456213945 /nfs/dbraw/zinc/21/39/45/456213945.db2.gz MOSZOZQXSOVNKH-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN CN(Cc1cccc2ccccc21)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301819346 456222610 /nfs/dbraw/zinc/22/26/10/456222610.db2.gz AKFMNRBERQQCDN-UHFFFAOYSA-N 0 0 333.351 3.427 10 5 EGBERN Cc1cccc2[nH]cc(CCNc3ccc4ncc([N+](=O)[O-])n4n3)c21 ZINC000301893529 456243469 /nfs/dbraw/zinc/24/34/69/456243469.db2.gz APYCKBGVZYDNLZ-UHFFFAOYSA-N 0 0 336.355 3.082 10 5 EGBERN Cc1cnc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908899 456248063 /nfs/dbraw/zinc/24/80/63/456248063.db2.gz RNJDHYLDVYETJQ-GOEBONIOSA-N 0 0 348.353 3.434 10 5 EGBERN Cc1cc(C)c(CCNc2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000301908675 456248218 /nfs/dbraw/zinc/24/82/18/456248218.db2.gz FCXQBOZTZDLBOV-UHFFFAOYSA-N 0 0 325.372 3.217 10 5 EGBERN COc1cc(N2CCC(C3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301911295 456248385 /nfs/dbraw/zinc/24/83/85/456248385.db2.gz CFNUXCAMVZTACI-UHFFFAOYSA-N 0 0 338.379 3.386 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000302016702 456269270 /nfs/dbraw/zinc/26/92/70/456269270.db2.gz FWSZBESRDBWWMR-UHFFFAOYSA-N 0 0 340.157 3.289 10 5 EGBERN CN(Cc1cc(F)c(F)c(F)c1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302051835 456276645 /nfs/dbraw/zinc/27/66/45/456276645.db2.gz PBWQHBQAHQSSID-UHFFFAOYSA-N 0 0 326.274 3.141 10 5 EGBERN CC(C)(CO)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000601132516 460724765 /nfs/dbraw/zinc/72/47/65/460724765.db2.gz IQQQJSDVTHJQRK-CQSZACIVSA-N 0 0 333.363 3.343 10 5 EGBERN CCS[C@H]1CCCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000302119123 456293111 /nfs/dbraw/zinc/29/31/11/456293111.db2.gz XHCWFNMGEVDPBT-ZDUSSCGKSA-N 0 0 338.429 3.493 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000302181665 456309125 /nfs/dbraw/zinc/30/91/25/456309125.db2.gz YRGZTHAGXNAHGT-OAHLLOKOSA-N 0 0 326.400 3.403 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000275782767 456312043 /nfs/dbraw/zinc/31/20/43/456312043.db2.gz JRDAPECBKCAYIZ-JSGCOSHPSA-N 0 0 338.791 3.244 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3c2cccc3O)c1 ZINC000302194062 456314326 /nfs/dbraw/zinc/31/43/26/456314326.db2.gz RZBCIDPOGHIRIM-CYBMUJFWSA-N 0 0 328.324 3.186 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302662469 456370868 /nfs/dbraw/zinc/37/08/68/456370868.db2.gz FGPMVVWRMUFEEV-OAHLLOKOSA-N 0 0 343.358 3.255 10 5 EGBERN C[C@](CO)(NCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601148624 460730898 /nfs/dbraw/zinc/73/08/98/460730898.db2.gz FSJFLSHGUGFYHY-MRXNPFEDSA-N 0 0 340.301 3.009 10 5 EGBERN COc1cc(NC[C@@](C)(O)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302698566 456377738 /nfs/dbraw/zinc/37/77/38/456377738.db2.gz HIYWZVRSKXNUIG-MRXNPFEDSA-N 0 0 326.368 3.486 10 5 EGBERN CS[C@@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000290619689 456386307 /nfs/dbraw/zinc/38/63/07/456386307.db2.gz ZRFSBHPPCAVBKQ-CQSZACIVSA-N 0 0 347.444 3.112 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)C1 ZINC000302739714 456389167 /nfs/dbraw/zinc/38/91/67/456389167.db2.gz CJHMOLNEUJZNSS-MLGOLLRUSA-N 0 0 338.429 3.015 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000347834307 456393347 /nfs/dbraw/zinc/39/33/47/456393347.db2.gz QZEGDONIDRCCLU-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302773299 456395145 /nfs/dbraw/zinc/39/51/45/456395145.db2.gz NTUUVOZXMYISMH-ZDUSSCGKSA-N 0 0 325.796 3.085 10 5 EGBERN COC(=O)c1cnc(N(C)Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000302773894 456396324 /nfs/dbraw/zinc/39/63/24/456396324.db2.gz NXHLEOFJKDMIFS-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000340335986 456398353 /nfs/dbraw/zinc/39/83/53/456398353.db2.gz BPOKJFGAVXOIPG-INIZCTEOSA-N 0 0 342.355 3.271 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000340346216 456404860 /nfs/dbraw/zinc/40/48/60/456404860.db2.gz MSIONCMATLXOEB-NSHDSACASA-N 0 0 331.376 3.354 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000347860502 456411051 /nfs/dbraw/zinc/41/10/51/456411051.db2.gz KVVYNIQDPPBPDU-UHFFFAOYSA-N 0 0 330.315 3.013 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000343254312 456485845 /nfs/dbraw/zinc/48/58/45/456485845.db2.gz WVRVHXMSCAIEED-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000348064409 456450727 /nfs/dbraw/zinc/45/07/27/456450727.db2.gz YBQHKIALIGCRGW-ZDUSSCGKSA-N 0 0 341.289 3.460 10 5 EGBERN COC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000298905651 456566853 /nfs/dbraw/zinc/56/68/53/456566853.db2.gz AWNIZPMOLCMOIY-AWEZNQCLSA-N 0 0 334.375 3.023 10 5 EGBERN CN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291411077 456636892 /nfs/dbraw/zinc/63/68/92/456636892.db2.gz CFSFWKHUYQTWSZ-VIFPVBQESA-N 0 0 333.171 3.153 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000282861320 456648192 /nfs/dbraw/zinc/64/81/92/456648192.db2.gz XQLGOJMTSZUGMA-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000324434278 456667628 /nfs/dbraw/zinc/66/76/28/456667628.db2.gz CWWMCSMKRREGHZ-CHWSQXEVSA-N 0 0 329.404 3.325 10 5 EGBERN CCn1nccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000338191525 456695445 /nfs/dbraw/zinc/69/54/45/456695445.db2.gz UVMBYZZAFMEMNT-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN C[C@@H](CC(=O)N1CCCc2c([N+](=O)[O-])cccc21)c1cccnc1 ZINC000338228094 456718354 /nfs/dbraw/zinc/71/83/54/456718354.db2.gz RGCIUEZKWMZRKO-ZDUSSCGKSA-N 0 0 325.368 3.463 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(OC2CCCCC2)cc1 ZINC000340853404 456720634 /nfs/dbraw/zinc/72/06/34/456720634.db2.gz ZFFBURPZTKAKQW-UHFFFAOYSA-N 0 0 344.371 3.142 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283191296 456733517 /nfs/dbraw/zinc/73/35/17/456733517.db2.gz QTWRCSZKJLLFBG-UHFFFAOYSA-N 0 0 346.284 3.118 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCC[C@H](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277272131 456753045 /nfs/dbraw/zinc/75/30/45/456753045.db2.gz RPLHIYMKFIOBKM-NSHDSACASA-N 0 0 349.387 3.344 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)n1 ZINC000343630063 456758482 /nfs/dbraw/zinc/75/84/82/456758482.db2.gz PBLZPYFOMHLQAI-JSGCOSHPSA-N 0 0 328.372 3.035 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277283246 456758646 /nfs/dbraw/zinc/75/86/46/456758646.db2.gz AFMWWVLRPWVMHG-LLVKDONJSA-N 0 0 345.321 3.198 10 5 EGBERN CCN(C[C@H]1CCCO1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348579196 456775868 /nfs/dbraw/zinc/77/58/68/456775868.db2.gz VTJCZTWKIWDKAM-SNVBAGLBSA-N 0 0 346.305 3.255 10 5 EGBERN C[C@H](O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292005594 456826880 /nfs/dbraw/zinc/82/68/80/456826880.db2.gz TWUZZMCWMLHVIN-QMMMGPOBSA-N 0 0 347.198 3.135 10 5 EGBERN O=C(NC[C@@H](c1ccccc1)C1CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348725637 456830192 /nfs/dbraw/zinc/83/01/92/456830192.db2.gz CYSNMGUWCKWYDK-INIZCTEOSA-N 0 0 326.352 3.224 10 5 EGBERN C[C@H](NC(=O)C(C)(C)COCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000344996844 456891018 /nfs/dbraw/zinc/89/10/18/456891018.db2.gz CYFLMLCCBWLWCB-JTQLQIEISA-N 0 0 330.331 3.080 10 5 EGBERN O=C(NCCC1CCOCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349177195 456903914 /nfs/dbraw/zinc/90/39/14/456903914.db2.gz ALDSDHDPUZTOGQ-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000341711153 456909730 /nfs/dbraw/zinc/90/97/30/456909730.db2.gz CPRIBAOFPRAKCR-BDAKNGLRSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1ccn(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(=O)c1 ZINC000341733078 456920223 /nfs/dbraw/zinc/92/02/23/456920223.db2.gz XWELTHJSAFAGAW-UHFFFAOYSA-N 0 0 343.383 3.001 10 5 EGBERN Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000358844999 457002012 /nfs/dbraw/zinc/00/20/12/457002012.db2.gz AVOPVOBPHFLGPC-MRXNPFEDSA-N 0 0 339.395 3.454 10 5 EGBERN C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1F ZINC000349698820 457019719 /nfs/dbraw/zinc/01/97/19/457019719.db2.gz VNNNOUMXFBTBCG-LBPRGKRZSA-N 0 0 343.358 3.207 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000362643188 457021522 /nfs/dbraw/zinc/02/15/22/457021522.db2.gz MIBLYMSQCDTJCP-UHFFFAOYSA-N 0 0 329.356 3.129 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1C(C)C ZINC000346594397 457065154 /nfs/dbraw/zinc/06/51/54/457065154.db2.gz VDLRMLACKVJFJX-UHFFFAOYSA-N 0 0 333.392 3.162 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc3sccc3c2)no1 ZINC000356597818 457075364 /nfs/dbraw/zinc/07/53/64/457075364.db2.gz TVHFNVQWQLURSJ-UHFFFAOYSA-N 0 0 341.352 3.413 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000342061824 457085870 /nfs/dbraw/zinc/08/58/70/457085870.db2.gz MJURNDSJXQWOGG-LBPRGKRZSA-N 0 0 338.363 3.144 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359543231 457093526 /nfs/dbraw/zinc/09/35/26/457093526.db2.gz CREHGZIQROWNOM-ABAIWWIYSA-N 0 0 331.347 3.283 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000342080467 457097780 /nfs/dbraw/zinc/09/77/80/457097780.db2.gz WHRNAOMWTDOLOS-CYBMUJFWSA-N 0 0 345.399 3.355 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000342144135 457133889 /nfs/dbraw/zinc/13/38/89/457133889.db2.gz YRXKOZHJDNVXSI-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN Cn1cnc2cc(-c3noc(Cc4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000356882359 457195833 /nfs/dbraw/zinc/19/58/33/457195833.db2.gz JJLGGUBSQODIRM-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342286237 457213307 /nfs/dbraw/zinc/21/33/07/457213307.db2.gz VQWYDZYNMIXIFO-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN CCc1nc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c(C)o1 ZINC000347124002 457241857 /nfs/dbraw/zinc/24/18/57/457241857.db2.gz UHUWMNRYXKFGGW-UHFFFAOYSA-N 0 0 344.327 3.103 10 5 EGBERN CCOc1cc(CN2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771678 457260233 /nfs/dbraw/zinc/26/02/33/457260233.db2.gz KUNWXJPRPFOTCA-MRXNPFEDSA-N 0 0 334.416 3.385 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000354519216 457268356 /nfs/dbraw/zinc/26/83/56/457268356.db2.gz DOHNUHLKLQADGT-NEPJUHHUSA-N 0 0 330.306 3.232 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000351683018 457311675 /nfs/dbraw/zinc/31/16/75/457311675.db2.gz NGBOUDQGMMYCOK-CLIRUNRCSA-N 0 0 341.367 3.157 10 5 EGBERN Cn1ccc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000357090586 457317395 /nfs/dbraw/zinc/31/73/95/457317395.db2.gz XIWNVZAQLZLSBM-UHFFFAOYSA-N 0 0 336.420 3.113 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCc2ncccn2)cc1[N+](=O)[O-] ZINC000360729901 457327928 /nfs/dbraw/zinc/32/79/28/457327928.db2.gz SZIDLHUEBJIGJC-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN CSC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000347288326 457332217 /nfs/dbraw/zinc/33/22/17/457332217.db2.gz XSGXQBOEWGYLLC-UHFFFAOYSA-N 0 0 331.191 3.191 10 5 EGBERN CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000342494759 457334523 /nfs/dbraw/zinc/33/45/23/457334523.db2.gz MDXNANLLLQGONA-LLVKDONJSA-N 0 0 329.356 3.310 10 5 EGBERN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1)c1cccc(Cl)c1 ZINC000357140928 457342589 /nfs/dbraw/zinc/34/25/89/457342589.db2.gz FCMLQCRLOXECTB-LBPRGKRZSA-N 0 0 334.719 3.362 10 5 EGBERN COc1cc(NCCn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000357225693 457384391 /nfs/dbraw/zinc/38/43/91/457384391.db2.gz SHEFRCPHGDBWEK-UHFFFAOYSA-N 0 0 330.319 3.204 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](c4cccs4)C3)c21 ZINC000347449328 457435225 /nfs/dbraw/zinc/43/52/25/457435225.db2.gz OUWYIXACWBXMOL-ZDUSSCGKSA-N 0 0 342.380 3.177 10 5 EGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000363876188 457460449 /nfs/dbraw/zinc/46/04/49/457460449.db2.gz PGKWRWFTUPNGCM-HNNXBMFYSA-N 0 0 344.346 3.079 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CC[C@H]3O)c([N+](=O)[O-])c2)cc1 ZINC000425276975 457478718 /nfs/dbraw/zinc/47/87/18/457478718.db2.gz BZLPOTNHGHRNDE-NVXWUHKLSA-N 0 0 341.367 3.091 10 5 EGBERN Cc1sc(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000374118433 457483403 /nfs/dbraw/zinc/48/34/03/457483403.db2.gz DBBRHWSUUGMDIU-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000357400514 457496371 /nfs/dbraw/zinc/49/63/71/457496371.db2.gz MXMAQYJMCPTKMJ-GWCFXTLKSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000360997147 457498480 /nfs/dbraw/zinc/49/84/80/457498480.db2.gz SAVMEJPJLBNBHR-SKDRFNHKSA-N 0 0 331.294 3.101 10 5 EGBERN Nc1c(F)c(N2CCc3[nH]c4ccccc4c3C2)ccc1[N+](=O)[O-] ZINC000356165457 457500224 /nfs/dbraw/zinc/50/02/24/457500224.db2.gz CLFQWOPQIHDJPT-UHFFFAOYSA-N 0 0 326.331 3.360 10 5 EGBERN Cc1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)ccc1OCCO ZINC000342835047 457547865 /nfs/dbraw/zinc/54/78/65/457547865.db2.gz MENHVDQOPUVSPV-UHFFFAOYSA-N 0 0 346.368 3.023 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC(Cc2ccccc2Cl)C1 ZINC000361061356 457555278 /nfs/dbraw/zinc/55/52/78/457555278.db2.gz ZEKPZSIETGHRIY-UHFFFAOYSA-N 0 0 334.807 3.452 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000408171676 457561100 /nfs/dbraw/zinc/56/11/00/457561100.db2.gz MIOKIFBBOHRYMA-BBRMVZONSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1nc(N2CCC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000364346005 457571190 /nfs/dbraw/zinc/57/11/90/457571190.db2.gz GJBIJGLTMPTLHY-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1c2ccccc2CC[C@@H]1CCO ZINC000425493057 457576104 /nfs/dbraw/zinc/57/61/04/457576104.db2.gz PZUNHXSFMCIGRO-MRXNPFEDSA-N 0 0 342.395 3.177 10 5 EGBERN COc1cc(C(=O)N2CC[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370363389 457629819 /nfs/dbraw/zinc/62/98/19/457629819.db2.gz PNNGOEOLDGLMOI-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374522805 457647926 /nfs/dbraw/zinc/64/79/26/457647926.db2.gz RKTZSZOJUNDQBQ-KRWDZBQOSA-N 0 0 329.331 3.009 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CC(F)(F)C[C@@H]3CO)o2)c1 ZINC000364648938 457665702 /nfs/dbraw/zinc/66/57/02/457665702.db2.gz DPCXFVHCJRYKJD-CYBMUJFWSA-N 0 0 338.310 3.057 10 5 EGBERN Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)n1 ZINC000370537111 457668472 /nfs/dbraw/zinc/66/84/72/457668472.db2.gz ADJNCJDYVFTZOM-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CC(C)n1ccc(=NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[nH]1 ZINC000361284717 457679170 /nfs/dbraw/zinc/67/91/70/457679170.db2.gz CTJROAANRGCUCB-UHFFFAOYSA-N 0 0 346.390 3.133 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374796462 457709358 /nfs/dbraw/zinc/70/93/58/457709358.db2.gz VIGZXHJRBLMTLD-AWEZNQCLSA-N 0 0 349.362 3.130 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000374839331 457717427 /nfs/dbraw/zinc/71/74/27/457717427.db2.gz CHVJESAMEBWYQR-CQSZACIVSA-N 0 0 330.344 3.044 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H](O)C(F)(F)F ZINC000357887070 457724611 /nfs/dbraw/zinc/72/46/11/457724611.db2.gz BYLOMIWUAGAOCK-SECBINFHSA-N 0 0 343.099 3.083 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCCOC2 ZINC000375076037 457782877 /nfs/dbraw/zinc/78/28/77/457782877.db2.gz WJJJLWKBPDKEIM-OAHLLOKOSA-N 0 0 339.779 3.283 10 5 EGBERN CC1(C)C[C@H](NCc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc21 ZINC000433225592 457784453 /nfs/dbraw/zinc/78/44/53/457784453.db2.gz CEADXTHKJLNDRB-HNNXBMFYSA-N 0 0 337.383 3.150 10 5 EGBERN CC[C@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766572 457810759 /nfs/dbraw/zinc/81/07/59/457810759.db2.gz XKSMYTVIOGUBOT-GOEBONIOSA-N 0 0 340.445 3.325 10 5 EGBERN CC(C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443759555 457810872 /nfs/dbraw/zinc/81/08/72/457810872.db2.gz PLFQSUGZYQQPLJ-GJZGRUSLSA-N 0 0 340.445 3.229 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433557532 457847760 /nfs/dbraw/zinc/84/77/60/457847760.db2.gz HCFXSFFLKXQFSF-GTNSWQLSSA-N 0 0 344.342 3.198 10 5 EGBERN CCOc1cccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000433661724 457866496 /nfs/dbraw/zinc/86/64/96/457866496.db2.gz BTRSRVSMCAIOAB-UHFFFAOYSA-N 0 0 329.356 3.358 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000433991357 457927815 /nfs/dbraw/zinc/92/78/15/457927815.db2.gz VPYLVCVAEFGJNT-JTQLQIEISA-N 0 0 346.305 3.408 10 5 EGBERN COc1cc(C(=O)NC2CCC(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000458168498 457953381 /nfs/dbraw/zinc/95/33/81/457953381.db2.gz RSLONNVUYIESBS-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ncco3)ccc2C)n1 ZINC000427356753 457977604 /nfs/dbraw/zinc/97/76/04/457977604.db2.gz IBRZVZJFBWJRTR-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000375702517 458030078 /nfs/dbraw/zinc/03/00/78/458030078.db2.gz CDRKSNBOFNMKGX-GOSISDBHSA-N 0 0 343.358 3.030 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000362266083 458063738 /nfs/dbraw/zinc/06/37/38/458063738.db2.gz CCICCXJFVYDFCF-UHFFFAOYSA-N 0 0 332.326 3.066 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000445579014 458065614 /nfs/dbraw/zinc/06/56/14/458065614.db2.gz GVWMUKBYNZLVQD-ZJUUUORDSA-N 0 0 345.746 3.303 10 5 EGBERN COC(=O)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434952061 458070785 /nfs/dbraw/zinc/07/07/85/458070785.db2.gz UWIHCGPQUFPKMI-GFCCVEGCSA-N 0 0 335.747 3.012 10 5 EGBERN COc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(OC)c1OC ZINC000358584838 458092353 /nfs/dbraw/zinc/09/23/53/458092353.db2.gz DKYBYAOZOVSLCY-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000362328939 458108283 /nfs/dbraw/zinc/10/82/83/458108283.db2.gz XHXUXEMUKWZSLB-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 ZINC000428679978 458190075 /nfs/dbraw/zinc/19/00/75/458190075.db2.gz MUHPZFSQUWUETC-SJLPKXTDSA-N 0 0 345.374 3.315 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000376160420 458216880 /nfs/dbraw/zinc/21/68/80/458216880.db2.gz NPPPVTHCHWWGGE-JFIYKMOQSA-N 0 0 337.379 3.398 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000436023554 458237910 /nfs/dbraw/zinc/23/79/10/458237910.db2.gz PMJFVQFNTWBXAR-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)cc1 ZINC000447676229 458329005 /nfs/dbraw/zinc/32/90/05/458329005.db2.gz BRHQQWTYXHDJQC-GFCCVEGCSA-N 0 0 348.366 3.252 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000372870130 458336877 /nfs/dbraw/zinc/33/68/77/458336877.db2.gz SBCRWIXVBZYTSV-LBPRGKRZSA-N 0 0 348.399 3.407 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CCC2 ZINC000376614530 458354108 /nfs/dbraw/zinc/35/41/08/458354108.db2.gz IEOQWNBUNKUAOI-GFCCVEGCSA-N 0 0 346.412 3.058 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)cc1[N+](=O)[O-] ZINC000430195850 458419505 /nfs/dbraw/zinc/41/95/05/458419505.db2.gz OYLNPWSIGIMRDA-UHFFFAOYSA-N 0 0 343.364 3.367 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000437416559 458451853 /nfs/dbraw/zinc/45/18/53/458451853.db2.gz HWBSNAPWTBMERM-LBPRGKRZSA-N 0 0 340.383 3.397 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000437419456 458452614 /nfs/dbraw/zinc/45/26/14/458452614.db2.gz PXQUMSFFUFYVSI-LBPRGKRZSA-N 0 0 340.383 3.397 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000373451825 458496930 /nfs/dbraw/zinc/49/69/30/458496930.db2.gz DZTUKGLXANJULQ-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000437905802 458509623 /nfs/dbraw/zinc/50/96/23/458509623.db2.gz BEGGRHJORXJBAE-MRXNPFEDSA-N 0 0 339.367 3.187 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438146922 458541569 /nfs/dbraw/zinc/54/15/69/458541569.db2.gz GJNMDUIDHFIIDL-WTOJCKNJSA-N 0 0 340.379 3.207 10 5 EGBERN CCc1cc(N(CC)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461884189 458576831 /nfs/dbraw/zinc/57/68/31/458576831.db2.gz QENLUNCLZLCLOW-INIZCTEOSA-N 0 0 342.399 3.229 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CCOC1 ZINC000461879224 458577100 /nfs/dbraw/zinc/57/71/00/458577100.db2.gz ACLIYMYABGZOTM-AWEZNQCLSA-N 0 0 331.347 3.411 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000462492972 458626474 /nfs/dbraw/zinc/62/64/74/458626474.db2.gz HOOVEGVEALSNCU-LSDHHAIUSA-N 0 0 338.429 3.150 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@H]4CCOC4)C3)ccc2c1 ZINC000439081682 458650548 /nfs/dbraw/zinc/65/05/48/458650548.db2.gz XNCGTXHRDNHFFC-CABCVRRESA-N 0 0 327.384 3.396 10 5 EGBERN CO[C@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000439164701 458665953 /nfs/dbraw/zinc/66/59/53/458665953.db2.gz BVHPTCXYGOAKFW-NEPJUHHUSA-N 0 0 326.780 3.100 10 5 EGBERN CCc1ncc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000456480948 458690563 /nfs/dbraw/zinc/69/05/63/458690563.db2.gz CEPRVFZPFFLKFA-CYBMUJFWSA-N 0 0 331.372 3.030 10 5 EGBERN CN(CC(=O)N1CCC[C@@H]1CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000463575656 458710328 /nfs/dbraw/zinc/71/03/28/458710328.db2.gz MEFQBJZFJQLTFA-CQSZACIVSA-N 0 0 333.432 3.458 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000547430635 458738565 /nfs/dbraw/zinc/73/85/65/458738565.db2.gz USTMPUJKIITMAD-UHFFFAOYSA-N 0 0 337.738 3.447 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000472174606 458771421 /nfs/dbraw/zinc/77/14/21/458771421.db2.gz SCCBFWSKRTZOLJ-ZYHUDNBSSA-N 0 0 345.321 3.386 10 5 EGBERN Cc1cc(N2CCO[C@H](C3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000530542745 458787671 /nfs/dbraw/zinc/78/76/71/458787671.db2.gz IUGUHEKITLWXNH-AWEZNQCLSA-N 0 0 341.205 3.281 10 5 EGBERN CCOC(=O)CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000432906197 458810035 /nfs/dbraw/zinc/81/00/35/458810035.db2.gz QRTONTYNSKAIGP-UHFFFAOYSA-N 0 0 349.387 3.291 10 5 EGBERN CCc1nn(C)c(NCc2cc(F)c(Cl)cc2F)c1[N+](=O)[O-] ZINC000432915230 458813458 /nfs/dbraw/zinc/81/34/58/458813458.db2.gz DLOWTPBQTPFKCY-UHFFFAOYSA-N 0 0 330.722 3.434 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000456960955 458825415 /nfs/dbraw/zinc/82/54/15/458825415.db2.gz MJNALPOISWNOFE-UKRRQHHQSA-N 0 0 336.388 3.071 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000457041256 458845563 /nfs/dbraw/zinc/84/55/63/458845563.db2.gz PAMLFSNTTLDFEA-NSHDSACASA-N 0 0 326.780 3.137 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000457086369 458861298 /nfs/dbraw/zinc/86/12/98/458861298.db2.gz OJDDIDPXMPRJFV-ZDUSSCGKSA-N 0 0 343.383 3.032 10 5 EGBERN O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000531882311 458993489 /nfs/dbraw/zinc/99/34/89/458993489.db2.gz IDFPVTAODBFGJK-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)c1cccc(OC)c1 ZINC000532134456 459034411 /nfs/dbraw/zinc/03/44/11/459034411.db2.gz ULUJFWNKGPITIN-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594520832 459077872 /nfs/dbraw/zinc/07/78/72/459077872.db2.gz PYIRADVZLSKWCE-KGLIPLIRSA-N 0 0 332.322 3.493 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)CCCc2ccccc2)c1[N+](=O)[O-] ZINC000557492791 459078317 /nfs/dbraw/zinc/07/83/17/459078317.db2.gz SYGJGQRCWVMWNH-UHFFFAOYSA-N 0 0 343.383 3.154 10 5 EGBERN Cc1cn2c(n1)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000590173529 459096830 /nfs/dbraw/zinc/09/68/30/459096830.db2.gz ZJCLMKHZJXYOMD-UHFFFAOYSA-N 0 0 340.305 3.134 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000590178813 459098360 /nfs/dbraw/zinc/09/83/60/459098360.db2.gz CMACBPMRMLQYBW-KBAYOESNSA-N 0 0 334.416 3.206 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594590251 459100377 /nfs/dbraw/zinc/10/03/77/459100377.db2.gz JIBPTMMCJHOBRH-AEFFLSMTSA-N 0 0 348.399 3.070 10 5 EGBERN O=c1[nH]cnc2cc(N[C@@H](C3CC3)[C@@H]3CCCCO3)c([N+](=O)[O-])cc21 ZINC000594590682 459101135 /nfs/dbraw/zinc/10/11/35/459101135.db2.gz MUTAGPBUMVLPDS-HOTGVXAUSA-N 0 0 344.371 3.003 10 5 EGBERN COC(=O)c1cc(NCC2(C(F)(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000557714206 459102436 /nfs/dbraw/zinc/10/24/36/459102436.db2.gz IFOPYRKVBVMWFD-UHFFFAOYSA-N 0 0 332.278 3.444 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000594594243 459102584 /nfs/dbraw/zinc/10/25/84/459102584.db2.gz RFKAAIJLJBWMIM-HDJSIYSDSA-N 0 0 347.415 3.245 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(F)c1 ZINC000558149591 459134836 /nfs/dbraw/zinc/13/48/36/459134836.db2.gz ASNIJCFRDBMNRD-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC000590565734 459150679 /nfs/dbraw/zinc/15/06/79/459150679.db2.gz PWHMSJOPIXFPJZ-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)Cc2ccccc2F)cc([N+](=O)[O-])c1C ZINC000479659884 459157543 /nfs/dbraw/zinc/15/75/43/459157543.db2.gz BVNQJOWVVXTVNJ-NSHDSACASA-N 0 0 346.358 3.412 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594895989 459168684 /nfs/dbraw/zinc/16/86/84/459168684.db2.gz RNTGBJYTSRQIRF-GRYCIOLGSA-N 0 0 345.424 3.370 10 5 EGBERN CC(C)O[C@]1(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCOC1 ZINC000594894684 459169039 /nfs/dbraw/zinc/16/90/39/459169039.db2.gz UUCHQTJMYPLPAF-HNNXBMFYSA-N 0 0 339.779 3.182 10 5 EGBERN CO[C@H](COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594893853 459169291 /nfs/dbraw/zinc/16/92/91/459169291.db2.gz LTTNYRVOMVIIKS-TVQRCGJNSA-N 0 0 335.278 3.044 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000578253135 459172068 /nfs/dbraw/zinc/17/20/68/459172068.db2.gz JLIUFPMKUWMECA-KRWDZBQOSA-N 0 0 342.395 3.434 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)c1sccc1C ZINC000595025886 459221122 /nfs/dbraw/zinc/22/11/22/459221122.db2.gz JVGDBPSJKMBXMR-FZMZJTMJSA-N 0 0 336.413 3.358 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000481105591 459233607 /nfs/dbraw/zinc/23/36/07/459233607.db2.gz KANJRTLUWSRQHF-KRWDZBQOSA-N 0 0 332.379 3.427 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(C)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481571174 459262368 /nfs/dbraw/zinc/26/23/68/459262368.db2.gz FFXGFUJMSGEQLP-KBXCAEBGSA-N 0 0 342.395 3.338 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000595359495 459284572 /nfs/dbraw/zinc/28/45/72/459284572.db2.gz OOMAPVRDHUWTMU-HIFPTAJRSA-N 0 0 344.408 3.098 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CCC2)C1 ZINC000595464313 459312359 /nfs/dbraw/zinc/31/23/59/459312359.db2.gz IRZRCENMFZBNIX-MRXNPFEDSA-N 0 0 331.416 3.359 10 5 EGBERN C[C@H](NC(=O)N1CCC(c2ccon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595480515 459319389 /nfs/dbraw/zinc/31/93/89/459319389.db2.gz LQQNFGJMOLALRG-LBPRGKRZSA-N 0 0 344.371 3.233 10 5 EGBERN CSc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000595524520 459334607 /nfs/dbraw/zinc/33/46/07/459334607.db2.gz WNDLCXJODYCACC-UHFFFAOYSA-N 0 0 344.440 3.034 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000483200104 459349575 /nfs/dbraw/zinc/34/95/75/459349575.db2.gz RTJOBYYEVGHYKR-HNNXBMFYSA-N 0 0 348.786 3.274 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4ccco4)CC3)nc2c1 ZINC000595613556 459368108 /nfs/dbraw/zinc/36/81/08/459368108.db2.gz AJAKXDGPITVHMI-UHFFFAOYSA-N 0 0 326.356 3.444 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC/C=C\c1ccccc1 ZINC000540835216 459390992 /nfs/dbraw/zinc/39/09/92/459390992.db2.gz KSJWIMRIMDHSGJ-DAXSKMNVSA-N 0 0 335.363 3.379 10 5 EGBERN COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(OC)c1 ZINC000595683030 459394587 /nfs/dbraw/zinc/39/45/87/459394587.db2.gz FCDXLUQGGYUCBV-INIZCTEOSA-N 0 0 346.383 3.089 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000540996140 459416959 /nfs/dbraw/zinc/41/69/59/459416959.db2.gz YEOGLQGMYFXQSV-KBXCAEBGSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@@]1(F)c1ccccc1)OCCO2 ZINC000591640252 459417091 /nfs/dbraw/zinc/41/70/91/459417091.db2.gz ZBKMXTXBBNSOGG-ZWKOTPCHSA-N 0 0 344.342 3.093 10 5 EGBERN CC(C)(C)OC1CC(Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000569288328 459425873 /nfs/dbraw/zinc/42/58/73/459425873.db2.gz CRPGZWBDSKHTHU-UHFFFAOYSA-N 0 0 346.387 3.363 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781434 459436845 /nfs/dbraw/zinc/43/68/45/459436845.db2.gz SXUOCWNYSQFOJF-AGIUHOORSA-N 0 0 346.387 3.205 10 5 EGBERN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000541286020 459439784 /nfs/dbraw/zinc/43/97/84/459439784.db2.gz ISGKEJCJMZMCGS-UHFFFAOYSA-N 0 0 346.305 3.441 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595786062 459439911 /nfs/dbraw/zinc/43/99/11/459439911.db2.gz ZAJGPSYDNOMOCD-TZMCWYRMSA-N 0 0 327.331 3.390 10 5 EGBERN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000541333911 459445195 /nfs/dbraw/zinc/44/51/95/459445195.db2.gz DPFOIJTYMHLOAH-AWEZNQCLSA-N 0 0 336.388 3.083 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)C(C)(C)C ZINC000595843506 459462249 /nfs/dbraw/zinc/46/22/49/459462249.db2.gz BTWRMHONOBLYKT-UHFFFAOYSA-N 0 0 343.374 3.460 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](OCC(F)(F)F)C3)nc2c1 ZINC000569553476 459470817 /nfs/dbraw/zinc/47/08/17/459470817.db2.gz RXEPVGYSSXVFHY-SNVBAGLBSA-N 0 0 344.293 3.019 10 5 EGBERN CCC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000525688545 459477641 /nfs/dbraw/zinc/47/76/41/459477641.db2.gz QYGSKMQDGGDJGM-ZDUSSCGKSA-N 0 0 341.433 3.017 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000595893737 459478802 /nfs/dbraw/zinc/47/88/02/459478802.db2.gz ZAEXKQXZTJRIAP-GFCCVEGCSA-N 0 0 329.404 3.061 10 5 EGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000595915982 459485862 /nfs/dbraw/zinc/48/58/62/459485862.db2.gz JUHUTAOYWRVECM-XPTSAGLGSA-N 0 0 334.750 3.493 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595918091 459485706 /nfs/dbraw/zinc/48/57/06/459485706.db2.gz OMIGLAOVBPGHFF-YMTOWFKASA-N 0 0 334.750 3.493 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCc1ccc(CO)cc1)CCCC2 ZINC000591928438 459489019 /nfs/dbraw/zinc/48/90/19/459489019.db2.gz OSWFIPHXDLEUGU-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000591941668 459491563 /nfs/dbraw/zinc/49/15/63/459491563.db2.gz QQJCRAYXSZLUQE-HRCADAONSA-N 0 0 331.416 3.405 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(Br)c(C)n1 ZINC000541824521 459495410 /nfs/dbraw/zinc/49/54/10/459495410.db2.gz IKAKYQYATHVZMJ-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])CC(F)F ZINC000591963564 459499010 /nfs/dbraw/zinc/49/90/10/459499010.db2.gz HQOOHRAEMAHXNH-VIFPVBQESA-N 0 0 327.331 3.190 10 5 EGBERN Cc1cc(N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])s1 ZINC000596060199 459505370 /nfs/dbraw/zinc/50/53/70/459505370.db2.gz CYEOEJIELPXJFC-UHFFFAOYSA-N 0 0 343.412 3.391 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])[C@@H]1SC ZINC000591991433 459507551 /nfs/dbraw/zinc/50/75/51/459507551.db2.gz VKZTXVUGMGUXBL-YUELXQCFSA-N 0 0 333.413 3.464 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1SC ZINC000591991862 459507960 /nfs/dbraw/zinc/50/79/60/459507960.db2.gz ZQYFXFGSNQNOCG-XPKDYRNWSA-N 0 0 333.413 3.464 10 5 EGBERN COc1cc(NCc2nncn2C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596125889 459530103 /nfs/dbraw/zinc/53/01/03/459530103.db2.gz QLOFOZUCMZANJQ-UHFFFAOYSA-N 0 0 325.756 3.041 10 5 EGBERN CCc1cc(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)on1 ZINC000596146198 459536259 /nfs/dbraw/zinc/53/62/59/459536259.db2.gz RSLFQCJUFIMPJY-UHFFFAOYSA-N 0 0 339.735 3.197 10 5 EGBERN Cc1cc(CSc2nc3cc4ccccc4cc3c(=O)n2C)ncn1 ZINC000488251635 459542546 /nfs/dbraw/zinc/54/25/46/459542546.db2.gz MKEBPQVCXNFDOF-UHFFFAOYSA-N 0 0 348.431 3.477 10 5 EGBERN CCOc1cc(N2CCN(CC(F)F)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000497551446 459543026 /nfs/dbraw/zinc/54/30/26/459543026.db2.gz HYVKHBKAIJLBBQ-LBPRGKRZSA-N 0 0 343.374 3.159 10 5 EGBERN COc1ccc(F)cc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569998492 459543658 /nfs/dbraw/zinc/54/36/58/459543658.db2.gz ICEHBXHYWXANIO-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN COc1cc(NCC2([C@@H](O)C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596186637 459554141 /nfs/dbraw/zinc/55/41/41/459554141.db2.gz TVBIALHOTJICIK-AWEZNQCLSA-N 0 0 328.796 3.466 10 5 EGBERN Cc1c(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n[nH]c1C(C)C ZINC000592251021 459560251 /nfs/dbraw/zinc/56/02/51/459560251.db2.gz AJHRSXADSRKVFR-UHFFFAOYSA-N 0 0 331.376 3.432 10 5 EGBERN COC(=O)c1c(Cl)c(SC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000596209481 459560750 /nfs/dbraw/zinc/56/07/50/459560750.db2.gz FOAWDIBMVDWUDU-QMMMGPOBSA-N 0 0 331.777 3.306 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-] ZINC000596208515 459560903 /nfs/dbraw/zinc/56/09/03/459560903.db2.gz IITPDDVSGPRVPO-SECBINFHSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1c(Cl)c(SC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000596209480 459560943 /nfs/dbraw/zinc/56/09/43/459560943.db2.gz FOAWDIBMVDWUDU-MRVPVSSYSA-N 0 0 331.777 3.306 10 5 EGBERN COc1cc(N[C@H]2CCN(CC(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596279155 459582845 /nfs/dbraw/zinc/58/28/45/459582845.db2.gz STPYWBZSHUWVGX-QMMMGPOBSA-N 0 0 335.738 3.008 10 5 EGBERN COC(=O)c1cc(NC[C@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000596311963 459592549 /nfs/dbraw/zinc/59/25/49/459592549.db2.gz HPGDNPKTJVMTJS-LBPRGKRZSA-N 0 0 329.356 3.300 10 5 EGBERN COC1CC(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000596310398 459592610 /nfs/dbraw/zinc/59/26/10/459592610.db2.gz FMAWVBMJQRBSQY-UHFFFAOYSA-N 0 0 347.415 3.058 10 5 EGBERN CS(=O)(=O)CC1(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596314907 459593213 /nfs/dbraw/zinc/59/32/13/459593213.db2.gz AAVFIHOQXUWMDR-UHFFFAOYSA-N 0 0 348.371 3.159 10 5 EGBERN CO[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596318573 459594623 /nfs/dbraw/zinc/59/46/23/459594623.db2.gz OLTIAGYUWDTKLT-ZANVPECISA-N 0 0 334.294 3.077 10 5 EGBERN CO[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000596319227 459594797 /nfs/dbraw/zinc/59/47/97/459594797.db2.gz VQZUNJPOZKJZHV-ZANVPECISA-N 0 0 334.294 3.077 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592463334 459606047 /nfs/dbraw/zinc/60/60/47/459606047.db2.gz GWIMQLLCJACXQG-QGZVFWFLSA-N 0 0 337.379 3.467 10 5 EGBERN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000596361599 459607730 /nfs/dbraw/zinc/60/77/30/459607730.db2.gz UYLTVNWQRVPKAG-UHFFFAOYSA-N 0 0 339.395 3.034 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596455712 459643002 /nfs/dbraw/zinc/64/30/02/459643002.db2.gz WIXLOSDQAYKSAA-KGLIPLIRSA-N 0 0 342.399 3.462 10 5 EGBERN C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)C1O ZINC000596470107 459648338 /nfs/dbraw/zinc/64/83/38/459648338.db2.gz QZYKGBLNXYKYTC-QWRGUYRKSA-N 0 0 333.413 3.171 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596476375 459650436 /nfs/dbraw/zinc/65/04/36/459650436.db2.gz HUNADZIDCAJLAO-CQSZACIVSA-N 0 0 328.315 3.158 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000596480928 459651109 /nfs/dbraw/zinc/65/11/09/459651109.db2.gz TZLIUOASJRZSNO-ZJUUUORDSA-N 0 0 327.768 3.279 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](CCF)C1 ZINC000596480220 459651463 /nfs/dbraw/zinc/65/14/63/459651463.db2.gz LLVVPEBSONBEKO-SECBINFHSA-N 0 0 332.173 3.328 10 5 EGBERN CC(C)(C)OC(=O)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000596492085 459656251 /nfs/dbraw/zinc/65/62/51/459656251.db2.gz LKRVHBWQJCVTPY-UHFFFAOYSA-N 0 0 349.387 3.228 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000596496833 459656827 /nfs/dbraw/zinc/65/68/27/459656827.db2.gz HXYYOAHHKNVURA-KRWDZBQOSA-N 0 0 348.399 3.167 10 5 EGBERN CCc1ccc(CN(CC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000592671041 459659843 /nfs/dbraw/zinc/65/98/43/459659843.db2.gz NTUKIKRWXWSHMX-UHFFFAOYSA-N 0 0 344.415 3.189 10 5 EGBERN Cc1cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)c(O)cc1Cl ZINC000596510433 459661771 /nfs/dbraw/zinc/66/17/71/459661771.db2.gz LLDLIHKUGYBLEA-SNVBAGLBSA-N 0 0 334.763 3.046 10 5 EGBERN COC(=O)c1cc(N2CC3(CCCC3)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596515275 459663135 /nfs/dbraw/zinc/66/31/35/459663135.db2.gz MVETWNBBWAUKJM-CYBMUJFWSA-N 0 0 348.399 3.228 10 5 EGBERN CC(C)[C@@H](O)[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000596517347 459663627 /nfs/dbraw/zinc/66/36/27/459663627.db2.gz NUMZVIOSCKBECQ-CHWSQXEVSA-N 0 0 346.412 3.474 10 5 EGBERN CC(C)[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000596517591 459663653 /nfs/dbraw/zinc/66/36/53/459663653.db2.gz PCZACUDKBYIPEH-IRXDYDNUSA-N 0 0 333.363 3.486 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000596528174 459666813 /nfs/dbraw/zinc/66/68/13/459666813.db2.gz MHBZNYVYTWIJMN-KBPBESRZSA-N 0 0 343.358 3.269 10 5 EGBERN Cc1cc(N2CC[C@H]3COC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000596529998 459668256 /nfs/dbraw/zinc/66/82/56/459668256.db2.gz SOMVEWWPRVHYMU-WDEREUQCSA-N 0 0 341.205 3.138 10 5 EGBERN Cc1cccc2c1CCC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596541125 459669937 /nfs/dbraw/zinc/66/99/37/459669937.db2.gz BEXMALLWWBEPMH-QGZVFWFLSA-N 0 0 327.384 3.467 10 5 EGBERN COc1cc(NC[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000596547570 459671934 /nfs/dbraw/zinc/67/19/34/459671934.db2.gz IITZJEDDRHJNIR-BDJLRTHQSA-N 0 0 334.347 3.319 10 5 EGBERN COc1cccc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596554354 459674086 /nfs/dbraw/zinc/67/40/86/459674086.db2.gz JTJLSULZAPFARR-UWVGGRQHSA-N 0 0 334.294 3.150 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)n1 ZINC000596553798 459674385 /nfs/dbraw/zinc/67/43/85/459674385.db2.gz HMSAXVYJAMZWEA-WDEREUQCSA-N 0 0 333.310 3.153 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000596554579 459674994 /nfs/dbraw/zinc/67/49/94/459674994.db2.gz XQSJCAKEKGNKPY-UHFFFAOYSA-N 0 0 328.372 3.160 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000584194121 459678192 /nfs/dbraw/zinc/67/81/92/459678192.db2.gz VAQSAIOKZMVIDC-UHFFFAOYSA-N 0 0 347.321 3.230 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@](C)(C(F)F)O1 ZINC000596572289 459680859 /nfs/dbraw/zinc/68/08/59/459680859.db2.gz DXKIKQGFSURUSP-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@](C)(C(F)F)O1 ZINC000596572513 459682045 /nfs/dbraw/zinc/68/20/45/459682045.db2.gz FGDFZCILORXBEM-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752546 459684005 /nfs/dbraw/zinc/68/40/05/459684005.db2.gz OQTOBLXVLFPMMP-CHWSQXEVSA-N 0 0 330.388 3.182 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000584251923 459692915 /nfs/dbraw/zinc/69/29/15/459692915.db2.gz MNMPESRFOTYMCJ-AWEZNQCLSA-N 0 0 338.367 3.009 10 5 EGBERN CO[C@@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CCC1 ZINC000596601957 459693217 /nfs/dbraw/zinc/69/32/17/459693217.db2.gz JJQLQSRVJZMEDX-OAHLLOKOSA-N 0 0 344.371 3.491 10 5 EGBERN CC[C@@H](O)CN(Cc1ccccc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000543791892 459700393 /nfs/dbraw/zinc/70/03/93/459700393.db2.gz DSUGRXUDWJVWNY-MRXNPFEDSA-N 0 0 329.400 3.384 10 5 EGBERN Cc1c(NC(=O)N2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000596635519 459707473 /nfs/dbraw/zinc/70/74/73/459707473.db2.gz LUENOTPBVRNJKI-UHFFFAOYSA-N 0 0 330.344 3.303 10 5 EGBERN Cc1c(NC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636912 459708619 /nfs/dbraw/zinc/70/86/19/459708619.db2.gz YXGAXZZGKMWHKH-JTQLQIEISA-N 0 0 347.293 3.088 10 5 EGBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cscn1 ZINC000596745200 459749916 /nfs/dbraw/zinc/74/99/16/459749916.db2.gz YDZNSRSFQVDAAD-NSHDSACASA-N 0 0 346.412 3.487 10 5 EGBERN CC(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC000584480973 459751767 /nfs/dbraw/zinc/75/17/67/459751767.db2.gz UXZKCVHABWOIPB-INIZCTEOSA-N 0 0 343.383 3.419 10 5 EGBERN COC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000596776501 459760466 /nfs/dbraw/zinc/76/04/66/459760466.db2.gz KJLDDYKBNSXBKL-UHFFFAOYSA-N 0 0 342.342 3.148 10 5 EGBERN O=[N+]([O-])c1ccccc1Nc1cc(I)ccn1 ZINC000584628636 459777018 /nfs/dbraw/zinc/77/70/18/459777018.db2.gz POVGPKJUYINOIW-UHFFFAOYSA-N 0 0 341.108 3.338 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)nc1 ZINC000584554975 459766618 /nfs/dbraw/zinc/76/66/18/459766618.db2.gz JEMKBADVZNIKOG-UHFFFAOYSA-N 0 0 328.372 3.211 10 5 EGBERN CC1=CC[C@@](C)(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000596812033 459768455 /nfs/dbraw/zinc/76/84/55/459768455.db2.gz GSYOXTZFMCQREM-LJQANCHMSA-N 0 0 343.427 3.380 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000544602046 459772140 /nfs/dbraw/zinc/77/21/40/459772140.db2.gz GTKVBOMPLOKLET-UHFFFAOYSA-N 0 0 329.375 3.365 10 5 EGBERN CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CO1 ZINC000596829237 459773037 /nfs/dbraw/zinc/77/30/37/459773037.db2.gz QXWNXOUOAQBNIA-SECBINFHSA-N 0 0 347.293 3.303 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000596837117 459774742 /nfs/dbraw/zinc/77/47/42/459774742.db2.gz RLJJRTFSXVNNKC-HNNXBMFYSA-N 0 0 343.330 3.100 10 5 EGBERN C[C@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596843401 459777046 /nfs/dbraw/zinc/77/70/46/459777046.db2.gz UBAOXXQSBCWHMZ-NHYWBVRUSA-N 0 0 348.399 3.140 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000596866359 459782130 /nfs/dbraw/zinc/78/21/30/459782130.db2.gz MJAFXPUODOFFLK-CXAGYDPISA-N 0 0 343.383 3.455 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000593150164 459789864 /nfs/dbraw/zinc/78/98/64/459789864.db2.gz KOIZPNSGKPTJJE-GOSISDBHSA-N 0 0 346.333 3.374 10 5 EGBERN O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000574235141 459794567 /nfs/dbraw/zinc/79/45/67/459794567.db2.gz GJINAECLMFZOSE-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CN(Cc1ccco1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584753742 459794831 /nfs/dbraw/zinc/79/48/31/459794831.db2.gz UEVUNIPJEBMXAD-UHFFFAOYSA-N 0 0 342.355 3.053 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)CSc2ccccc2)n1 ZINC000593217913 459810596 /nfs/dbraw/zinc/81/05/96/459810596.db2.gz DRZKAYZXVXIYSO-GFCCVEGCSA-N 0 0 348.428 3.064 10 5 EGBERN CC(C)n1cnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000593230629 459815091 /nfs/dbraw/zinc/81/50/91/459815091.db2.gz YDORDTKCPOYMDR-UHFFFAOYSA-N 0 0 331.376 3.317 10 5 EGBERN CC[C@H](OCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593248417 459819595 /nfs/dbraw/zinc/81/95/95/459819595.db2.gz BIAJAQOCPOTWCF-SFHVURJKSA-N 0 0 342.395 3.421 10 5 EGBERN CC[C@H](OCCNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000593248956 459819998 /nfs/dbraw/zinc/81/99/98/459819998.db2.gz CRUCTTFUDCKOMS-KRWDZBQOSA-N 0 0 343.383 3.196 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1Oc1cc(C(=O)OC(C)(C)C)ccc1F ZINC000585092069 459821971 /nfs/dbraw/zinc/82/19/71/459821971.db2.gz DCCYXVBTRFWZGL-UHFFFAOYSA-N 0 0 337.307 3.215 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597097143 459836573 /nfs/dbraw/zinc/83/65/73/459836573.db2.gz DGBQNJVGYPZQTG-SECBINFHSA-N 0 0 326.784 3.340 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C(C)(C)c1ccccc1 ZINC000585740200 459838937 /nfs/dbraw/zinc/83/89/37/459838937.db2.gz CSSBHUWKLSDOHP-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN CC[C@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000598251370 459840557 /nfs/dbraw/zinc/84/05/57/459840557.db2.gz QLTFJZPKQXOYIL-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000585759008 459843707 /nfs/dbraw/zinc/84/37/07/459843707.db2.gz PDZMCGKZWBCNIJ-LLVKDONJSA-N 0 0 347.415 3.136 10 5 EGBERN CCOc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])nc1C ZINC000597128204 459845683 /nfs/dbraw/zinc/84/56/83/459845683.db2.gz JWHTWYZZLGGHFQ-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593359442 459861850 /nfs/dbraw/zinc/86/18/50/459861850.db2.gz OYECROVYOJTROP-HNNXBMFYSA-N 0 0 337.326 3.040 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598315157 459862313 /nfs/dbraw/zinc/86/23/13/459862313.db2.gz ZSPGJIIRSCHMOJ-LSDHHAIUSA-N 0 0 332.400 3.451 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586777204 459870846 /nfs/dbraw/zinc/87/08/46/459870846.db2.gz HZTXRLPEXPMQJU-JMCQJSRRSA-N 0 0 340.248 3.025 10 5 EGBERN CC(C)(C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598339604 459871566 /nfs/dbraw/zinc/87/15/66/459871566.db2.gz ANPJAQHDEPAZKF-LBPRGKRZSA-N 0 0 326.343 3.280 10 5 EGBERN Cc1c(CC(=O)N2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000598351746 459875825 /nfs/dbraw/zinc/87/58/25/459875825.db2.gz NGFRABMKVSYVGL-CYBMUJFWSA-N 0 0 332.400 3.006 10 5 EGBERN CCOc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598351744 459875912 /nfs/dbraw/zinc/87/59/12/459875912.db2.gz NGEUCAGOPOIBBG-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598354350 459877159 /nfs/dbraw/zinc/87/71/59/459877159.db2.gz SLHRVSOKYRQHTB-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN C[C@@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598356236 459877774 /nfs/dbraw/zinc/87/77/74/459877774.db2.gz ZEUWTNVQGXWTGN-UONOGXRCSA-N 0 0 332.400 3.258 10 5 EGBERN C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000597212545 459879137 /nfs/dbraw/zinc/87/91/37/459879137.db2.gz VFAZWPLZOSIZFR-UGSOOPFHSA-N 0 0 328.368 3.323 10 5 EGBERN COc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000597212637 459879404 /nfs/dbraw/zinc/87/94/04/459879404.db2.gz WEJRKADFEXNGOK-LBPRGKRZSA-N 0 0 326.368 3.184 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)s2)cc1 ZINC000597212650 459879485 /nfs/dbraw/zinc/87/94/85/459879485.db2.gz WOJBLLSBMNTQNJ-SUMWQHHRSA-N 0 0 330.409 3.280 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cn(-c3ccccc3)nn2)c(Cl)c1 ZINC000608845522 459889966 /nfs/dbraw/zinc/88/99/66/459889966.db2.gz FQGMTMNZHXZQLF-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN Nc1cc(NCc2cc3c(s2)CCCC3)cc(CO)c1[N+](=O)[O-] ZINC000587337110 459892252 /nfs/dbraw/zinc/89/22/52/459892252.db2.gz YKTPUFZJNUMKRR-UHFFFAOYSA-N 0 0 333.413 3.222 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000587586394 459893119 /nfs/dbraw/zinc/89/31/19/459893119.db2.gz VEPUSFYUZRHZNK-UHFFFAOYSA-N 0 0 327.340 3.087 10 5 EGBERN CN(C)C(=O)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000593462607 459896366 /nfs/dbraw/zinc/89/63/66/459896366.db2.gz FAXYNANMJWNFPT-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@](C)(C(F)F)C1 ZINC000597252149 459896397 /nfs/dbraw/zinc/89/63/97/459896397.db2.gz RMMNRPQUPJQECR-IYCSXQJISA-N 0 0 326.343 3.354 10 5 EGBERN Cc1cccc2c(CCNc3cc(N)c([N+](=O)[O-])c(CO)c3)c[nH]c21 ZINC000587983882 459898102 /nfs/dbraw/zinc/89/81/02/459898102.db2.gz CXRKSMBZOXUJTP-UHFFFAOYSA-N 0 0 340.383 3.114 10 5 EGBERN COc1ccc([C@H](C)CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587984791 459898156 /nfs/dbraw/zinc/89/81/56/459898156.db2.gz XYMBXZMIGUSKON-GFCCVEGCSA-N 0 0 345.399 3.284 10 5 EGBERN CCO[C@H](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCC1 ZINC000587990450 459899126 /nfs/dbraw/zinc/89/91/26/459899126.db2.gz IOTJHJKLHQODTL-MRXNPFEDSA-N 0 0 337.420 3.067 10 5 EGBERN CCO[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(CC)CC ZINC000587992524 459899147 /nfs/dbraw/zinc/89/91/47/459899147.db2.gz WRRNZKQTHQHKEP-GJZGRUSLSA-N 0 0 337.420 3.065 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456711 459902341 /nfs/dbraw/zinc/90/23/41/459902341.db2.gz LDGXQENRADEZPT-IXDOHACOSA-N 0 0 326.327 3.110 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000588014675 459902545 /nfs/dbraw/zinc/90/25/45/459902545.db2.gz CBFOFRRFLRTOEH-PIGZYNQJSA-N 0 0 333.388 3.101 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598456709 459902753 /nfs/dbraw/zinc/90/27/53/459902753.db2.gz LDGXQENRADEZPT-GVDBMIGSSA-N 0 0 326.327 3.110 10 5 EGBERN Nc1cc(N2CCC(c3ccsc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588022089 459903274 /nfs/dbraw/zinc/90/32/74/459903274.db2.gz DMJVPNKFGMAIGH-UHFFFAOYSA-N 0 0 333.413 3.115 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(-c2ccc(F)cc2)c1C ZINC000593485713 459903483 /nfs/dbraw/zinc/90/34/83/459903483.db2.gz BNMLOWRZUSXJIZ-UHFFFAOYSA-N 0 0 344.350 3.496 10 5 EGBERN CO[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000597282783 459903580 /nfs/dbraw/zinc/90/35/80/459903580.db2.gz RYFKFNLEQUTYRS-QGZVFWFLSA-N 0 0 334.416 3.239 10 5 EGBERN CC[C@H](OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000593489333 459905072 /nfs/dbraw/zinc/90/50/72/459905072.db2.gz QLMINCCDDTUHMV-KRWDZBQOSA-N 0 0 343.383 3.274 10 5 EGBERN CC[C@@H](OCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000593489664 459905152 /nfs/dbraw/zinc/90/51/52/459905152.db2.gz WFHBOJNWSVEKNB-QGZVFWFLSA-N 0 0 345.399 3.249 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609128344 459906893 /nfs/dbraw/zinc/90/68/93/459906893.db2.gz USBMZPZOWYLKCO-UKRRQHHQSA-N 0 0 348.399 3.311 10 5 EGBERN C[C@@H](Nc1cccnc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000618163987 459913422 /nfs/dbraw/zinc/91/34/22/459913422.db2.gz XVFJUSLTTSIVLC-SNVBAGLBSA-N 0 0 332.326 3.065 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC000597328885 459917632 /nfs/dbraw/zinc/91/76/32/459917632.db2.gz UMJMQVOEOYGYJX-GJZGRUSLSA-N 0 0 341.415 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)[C@@H]1CCc2ccccc21 ZINC000609254680 459932235 /nfs/dbraw/zinc/93/22/35/459932235.db2.gz BHXVUWYMPZCMEO-QGZVFWFLSA-N 0 0 347.392 3.206 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598540192 459933034 /nfs/dbraw/zinc/93/30/34/459933034.db2.gz CNKLNTMTJXDYFJ-KDURUIRLSA-N 0 0 344.411 3.244 10 5 EGBERN C[C@H](O)[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598540618 459933548 /nfs/dbraw/zinc/93/35/48/459933548.db2.gz QWAURHVAYQMQJJ-GUYCJALGSA-N 0 0 342.395 3.111 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)CC(F)(F)F ZINC000598581294 459950681 /nfs/dbraw/zinc/95/06/81/459950681.db2.gz JWGKFBRENNHWCG-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCCO1 ZINC000597468080 459964099 /nfs/dbraw/zinc/96/40/99/459964099.db2.gz OXIGIKUFMIAEEO-GUYCJALGSA-N 0 0 332.400 3.291 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000593762217 459978306 /nfs/dbraw/zinc/97/83/06/459978306.db2.gz ANOPIIAMYBCWMO-AWEZNQCLSA-N 0 0 340.383 3.370 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598662139 459982348 /nfs/dbraw/zinc/98/23/48/459982348.db2.gz QBKPCRDKPJVLOS-LBPRGKRZSA-N 0 0 339.342 3.314 10 5 EGBERN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593785281 459985805 /nfs/dbraw/zinc/98/58/05/459985805.db2.gz ZWMBGUQUZOBJRG-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000588834904 459988204 /nfs/dbraw/zinc/98/82/04/459988204.db2.gz XDKRZMNHCXLSMN-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588851068 459992114 /nfs/dbraw/zinc/99/21/14/459992114.db2.gz CXYWJPMTWWVOJE-BMIGLBTASA-N 0 0 326.343 3.453 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2(C(F)F)CCCC2)s1 ZINC000588861489 459993989 /nfs/dbraw/zinc/99/39/89/459993989.db2.gz RXDPNRCYWDSPJH-UHFFFAOYSA-N 0 0 340.373 3.050 10 5 EGBERN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588934025 460007163 /nfs/dbraw/zinc/00/71/63/460007163.db2.gz IEAALKRDIHIWKE-FUHWJXTLSA-N 0 0 346.333 3.262 10 5 EGBERN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593886744 460009860 /nfs/dbraw/zinc/00/98/60/460009860.db2.gz OATACVJITFKHBV-LLVKDONJSA-N 0 0 343.358 3.118 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597632186 460013271 /nfs/dbraw/zinc/01/32/71/460013271.db2.gz QLJYSODROSAHKQ-PELKAZGASA-N 0 0 343.177 3.111 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(Cl)o1 ZINC000609792458 460020680 /nfs/dbraw/zinc/02/06/80/460020680.db2.gz PRWQIIBUGRVTAD-UHFFFAOYSA-N 0 0 329.139 3.354 10 5 EGBERN CC(F)(F)CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589063200 460022470 /nfs/dbraw/zinc/02/24/70/460022470.db2.gz VTYPIPQVXBWKKA-UHFFFAOYSA-N 0 0 325.315 3.170 10 5 EGBERN CNc1c(C(=O)N2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000597690851 460028963 /nfs/dbraw/zinc/02/89/63/460028963.db2.gz FGGFVDPURLPANM-CYBMUJFWSA-N 0 0 340.383 3.051 10 5 EGBERN Cc1c(NC(=O)[C@H]2COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000598803201 460041311 /nfs/dbraw/zinc/04/13/11/460041311.db2.gz MJFRYECTHUOCOH-GJZGRUSLSA-N 0 0 326.352 3.272 10 5 EGBERN CCOC(=O)c1ccnc(NCc2ccc(Cl)o2)c1[N+](=O)[O-] ZINC000609960706 460041423 /nfs/dbraw/zinc/04/14/23/460041423.db2.gz MVGTVXNXFFKDPV-UHFFFAOYSA-N 0 0 325.708 3.025 10 5 EGBERN COC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCC(F)(F)CC1 ZINC000598828208 460055585 /nfs/dbraw/zinc/05/55/85/460055585.db2.gz MNQBYGLZZVSAIA-UHFFFAOYSA-N 0 0 328.315 3.436 10 5 EGBERN CCCc1nccnc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598877410 460079570 /nfs/dbraw/zinc/07/95/70/460079570.db2.gz BKNPEJVFPJAMCZ-SNVBAGLBSA-N 0 0 332.335 3.219 10 5 EGBERN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597862703 460083492 /nfs/dbraw/zinc/08/34/92/460083492.db2.gz FLAPKAKBHOIQDY-LBPRGKRZSA-N 0 0 331.397 3.002 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)c1ccccn1 ZINC000597865300 460085577 /nfs/dbraw/zinc/08/55/77/460085577.db2.gz RGWQSRNPDXNTRQ-ZDUSSCGKSA-N 0 0 327.384 3.449 10 5 EGBERN CCC(C)(CC)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576203251 460089143 /nfs/dbraw/zinc/08/91/43/460089143.db2.gz QNTBEJIQWWPOJC-UHFFFAOYSA-N 0 0 332.404 3.497 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514090 460098456 /nfs/dbraw/zinc/09/84/56/460098456.db2.gz BKBJASCFUKXTEI-SKDRFNHKSA-N 0 0 346.305 3.154 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598949460 460098907 /nfs/dbraw/zinc/09/89/07/460098907.db2.gz CDHQMJFLYLXEMS-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H]2CCc3cccnc32)c(Br)c1 ZINC000598947046 460099561 /nfs/dbraw/zinc/09/95/61/460099561.db2.gz XHESXXJKVZCCBC-SNVBAGLBSA-N 0 0 349.188 3.289 10 5 EGBERN Cc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nn1C1CCOCC1 ZINC000598954177 460100300 /nfs/dbraw/zinc/10/03/00/460100300.db2.gz OVEKYJDDPGRLRS-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cn1ccnc1C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272856 460100994 /nfs/dbraw/zinc/10/09/94/460100994.db2.gz VAEAKMIMIWFUJA-HNNXBMFYSA-N 0 0 342.424 3.463 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597919734 460111256 /nfs/dbraw/zinc/11/12/56/460111256.db2.gz PDDCYOVJQKTIJJ-ZDUSSCGKSA-N 0 0 332.356 3.276 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594137376 460122388 /nfs/dbraw/zinc/12/23/88/460122388.db2.gz LVBLAJRCKIJZJQ-SNVBAGLBSA-N 0 0 328.796 3.429 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000594142425 460124667 /nfs/dbraw/zinc/12/46/67/460124667.db2.gz ZIEBEQHGVODVGH-JOCQHMNTSA-N 0 0 334.416 3.335 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002964 460124845 /nfs/dbraw/zinc/12/48/45/460124845.db2.gz GAXKTPZNNGKJMZ-OEUWWYETSA-N 0 0 349.431 3.029 10 5 EGBERN Cc1ncc2c(n1)CC[C@@H](Nc1ccc3cnccc3c1[N+](=O)[O-])C2 ZINC000599032577 460133600 /nfs/dbraw/zinc/13/36/00/460133600.db2.gz UKLBTWDXFQRLEJ-CQSZACIVSA-N 0 0 335.367 3.211 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594165704 460135183 /nfs/dbraw/zinc/13/51/83/460135183.db2.gz RHTYAFUFIJGFPW-DGCLKSJQSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594173603 460136063 /nfs/dbraw/zinc/13/60/63/460136063.db2.gz CJUDTERQHVIZGD-HZMVEIRTSA-N 0 0 332.400 3.162 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000594174880 460137318 /nfs/dbraw/zinc/13/73/18/460137318.db2.gz NVJCQMAZKROHEX-VIFPVBQESA-N 0 0 327.331 3.242 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594179284 460138836 /nfs/dbraw/zinc/13/88/36/460138836.db2.gz XDBBWECUMPSALF-RLCCDNCMSA-N 0 0 338.379 3.301 10 5 EGBERN Cc1noc(C(F)F)c1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000610431418 460149476 /nfs/dbraw/zinc/14/94/76/460149476.db2.gz MJFUWLJZFIMVNH-SSDOTTSWSA-N 0 0 337.282 3.420 10 5 EGBERN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000610430557 460149782 /nfs/dbraw/zinc/14/97/82/460149782.db2.gz XLAOXYTXIBWKHO-LBPRGKRZSA-N 0 0 343.383 3.228 10 5 EGBERN CCOc1cccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 ZINC000610434974 460150374 /nfs/dbraw/zinc/15/03/74/460150374.db2.gz SNMVYYCHQCHTJZ-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000598038245 460152061 /nfs/dbraw/zinc/15/20/61/460152061.db2.gz BCRPFNITUNZMHT-OAHLLOKOSA-N 0 0 344.371 3.162 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc([N+](=O)[O-])c1C ZINC000594206983 460152182 /nfs/dbraw/zinc/15/21/82/460152182.db2.gz VIXRYIVFYWCEIA-AWEZNQCLSA-N 0 0 348.399 3.133 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000589864363 460152422 /nfs/dbraw/zinc/15/24/22/460152422.db2.gz XBGAYEMRBPDSMN-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594211748 460154303 /nfs/dbraw/zinc/15/43/03/460154303.db2.gz OFSJXLHRFOXARL-CQSZACIVSA-N 0 0 347.415 3.228 10 5 EGBERN COC(=O)C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599104486 460162612 /nfs/dbraw/zinc/16/26/12/460162612.db2.gz BSMRBAMBXNWVLX-CYBMUJFWSA-N 0 0 329.356 3.144 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@@H](n2cccn2)C(F)(F)F)c(F)c1 ZINC000599115789 460164501 /nfs/dbraw/zinc/16/45/01/460164501.db2.gz DELKPEYSZIZZCY-SNVBAGLBSA-N 0 0 336.220 3.285 10 5 EGBERN CC(=O)c1cc(NC[C@]2(C)COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000599118337 460165963 /nfs/dbraw/zinc/16/59/63/460165963.db2.gz UUMVRYFKOSERKP-GOSISDBHSA-N 0 0 342.351 3.439 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594241633 460167907 /nfs/dbraw/zinc/16/79/07/460167907.db2.gz FKDPBQKRJPLUAR-IRXDYDNUSA-N 0 0 347.415 3.050 10 5 EGBERN COC(=O)Cc1ccc(CNc2cc(OC)c(C)cc2[N+](=O)[O-])cc1 ZINC000599126982 460168812 /nfs/dbraw/zinc/16/88/12/460168812.db2.gz RNSSNSPMJORILL-UHFFFAOYSA-N 0 0 344.367 3.239 10 5 EGBERN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccncc1 ZINC000610526320 460176345 /nfs/dbraw/zinc/17/63/45/460176345.db2.gz KCASYRZDWYSUBO-NSHDSACASA-N 0 0 325.324 3.270 10 5 EGBERN CC[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594282727 460179997 /nfs/dbraw/zinc/17/99/97/460179997.db2.gz KWFWSQNUOQGSKO-CVEARBPZSA-N 0 0 349.431 3.477 10 5 EGBERN O=[N+]([O-])c1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1C(F)(F)F ZINC000599168325 460184767 /nfs/dbraw/zinc/18/47/67/460184767.db2.gz SVBGTEYQYYMLGP-JQLIAFOBSA-N 0 0 348.346 3.103 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000599180598 460190530 /nfs/dbraw/zinc/19/05/30/460190530.db2.gz MILKBKWRDBNZDK-ZANVPECISA-N 0 0 327.178 3.337 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CO[C@@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000599181921 460191611 /nfs/dbraw/zinc/19/16/11/460191611.db2.gz VFVLUXCCOFGPFG-GXSJLCMTSA-N 0 0 342.193 3.040 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000599188409 460193448 /nfs/dbraw/zinc/19/34/48/460193448.db2.gz FNDDWECAEKUYDV-GVDBMIGSSA-N 0 0 342.782 3.450 10 5 EGBERN O=[N+]([O-])c1cccc(OCc2nc(-c3coc(C4CC4)n3)no2)c1 ZINC000599192482 460194521 /nfs/dbraw/zinc/19/45/21/460194521.db2.gz OXPSBZUSCVDKHR-UHFFFAOYSA-N 0 0 328.284 3.089 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000598207494 460204382 /nfs/dbraw/zinc/20/43/82/460204382.db2.gz GXXXLDITZJEMQZ-SOUVJXGZSA-N 0 0 332.400 3.225 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000598212179 460206486 /nfs/dbraw/zinc/20/64/86/460206486.db2.gz JGTKBXJLGRKHAU-ZANVPECISA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1(F)F ZINC000598217221 460208744 /nfs/dbraw/zinc/20/87/44/460208744.db2.gz SJSDSIWBNPANKP-NSHDSACASA-N 0 0 338.232 3.389 10 5 EGBERN COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000598223127 460211343 /nfs/dbraw/zinc/21/13/43/460211343.db2.gz HBDWQPZLMDXZOA-UHFFFAOYSA-N 0 0 332.381 3.172 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C2CC2)cc1Cl ZINC000594414582 460211658 /nfs/dbraw/zinc/21/16/58/460211658.db2.gz JFBIWDDKNTXTTF-UHFFFAOYSA-N 0 0 336.735 3.110 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598230927 460215628 /nfs/dbraw/zinc/21/56/28/460215628.db2.gz QTQKPJWUKHZWMV-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000598234506 460217070 /nfs/dbraw/zinc/21/70/70/460217070.db2.gz ZDJYYOGVFVFZAH-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610714118 460223146 /nfs/dbraw/zinc/22/31/46/460223146.db2.gz ZTVPALOPCDBCHQ-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCCCO1 ZINC000610716596 460224147 /nfs/dbraw/zinc/22/41/47/460224147.db2.gz FJHLIYMICWNATQ-INIZCTEOSA-N 0 0 347.415 3.487 10 5 EGBERN Cc1cccc(N2CC[C@H](n3cnc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000614978213 460257368 /nfs/dbraw/zinc/25/73/68/460257368.db2.gz OAVISYFSUCOIDL-AWEZNQCLSA-N 0 0 326.400 3.430 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599521418 460266934 /nfs/dbraw/zinc/26/69/34/460266934.db2.gz HVJXVGALXAWJJG-SFAKSCPVSA-N 0 0 338.429 3.103 10 5 EGBERN CCOC(=O)CCC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610969601 460268581 /nfs/dbraw/zinc/26/85/81/460268581.db2.gz AZNOFSZDBBYTAB-UHFFFAOYSA-N 0 0 341.795 3.203 10 5 EGBERN C[C@@H]1CCN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000603264330 460273815 /nfs/dbraw/zinc/27/38/15/460273815.db2.gz ARISLVQGJZMRRW-CYBMUJFWSA-N 0 0 326.352 3.408 10 5 EGBERN CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000611033978 460280312 /nfs/dbraw/zinc/28/03/12/460280312.db2.gz WFGZJYCCPJUSQF-UHFFFAOYSA-N 0 0 346.408 3.222 10 5 EGBERN COC(=O)c1oc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000599638188 460294418 /nfs/dbraw/zinc/29/44/18/460294418.db2.gz ZFRNNGXMRGLBNV-LLVKDONJSA-N 0 0 346.339 3.082 10 5 EGBERN Cc1cccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000603677124 460333298 /nfs/dbraw/zinc/33/32/98/460333298.db2.gz CIQNKCLFDGKBOE-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN COC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603727053 460336214 /nfs/dbraw/zinc/33/62/14/460336214.db2.gz DUDKHBQFDOEPKT-LBPRGKRZSA-N 0 0 330.340 3.152 10 5 EGBERN CCCCCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830343 460342971 /nfs/dbraw/zinc/34/29/71/460342971.db2.gz QYGVLMHSGILBMX-UHFFFAOYSA-N 0 0 346.387 3.159 10 5 EGBERN CC[C@H](C[C@H](C)CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829302 460343534 /nfs/dbraw/zinc/34/35/34/460343534.db2.gz BRXRCIAAHWYVID-NWDGAFQWSA-N 0 0 346.387 3.062 10 5 EGBERN CC(C)COCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831421 460343806 /nfs/dbraw/zinc/34/38/06/460343806.db2.gz UMZPHVZSJCMMSB-UHFFFAOYSA-N 0 0 346.387 3.327 10 5 EGBERN CCOC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832761 460344106 /nfs/dbraw/zinc/34/41/06/460344106.db2.gz JGLMPBRFSGTXHK-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC(CC2CC2)C1 ZINC000599834101 460344806 /nfs/dbraw/zinc/34/48/06/460344806.db2.gz FSNXUQFUPUGDQI-UHFFFAOYSA-N 0 0 326.356 3.407 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599834958 460344931 /nfs/dbraw/zinc/34/49/31/460344931.db2.gz QEAOAVMXXMVZFL-NEPJUHHUSA-N 0 0 344.371 3.174 10 5 EGBERN C[C@H](COCC1CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835433 460345477 /nfs/dbraw/zinc/34/54/77/460345477.db2.gz WPFIHLWONFXGNX-LLVKDONJSA-N 0 0 344.371 3.080 10 5 EGBERN CCC[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOC1 ZINC000599836557 460345693 /nfs/dbraw/zinc/34/56/93/460345693.db2.gz UJPHCULJFBEESO-QGZVFWFLSA-N 0 0 344.371 3.224 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000603862756 460350506 /nfs/dbraw/zinc/35/05/06/460350506.db2.gz ZVLPOJHERDZZFJ-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611501366 460379160 /nfs/dbraw/zinc/37/91/60/460379160.db2.gz BEDISWCRVMGCHE-GYSYKLTISA-N 0 0 334.351 3.386 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC=CCC3)cc2[N+](=O)[O-])C1 ZINC000611513184 460382562 /nfs/dbraw/zinc/38/25/62/460382562.db2.gz NVVVBXHJPHWMTN-AWEZNQCLSA-N 0 0 329.400 3.233 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611512512 460382892 /nfs/dbraw/zinc/38/28/92/460382892.db2.gz GRSVHAHPZMTWPG-CZUORRHYSA-N 0 0 337.395 3.307 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000619578396 460387846 /nfs/dbraw/zinc/38/78/46/460387846.db2.gz JVUMQAZJILQCRY-KZNAEPCWSA-N 0 0 346.427 3.449 10 5 EGBERN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000619590191 460391952 /nfs/dbraw/zinc/39/19/52/460391952.db2.gz PUNZJHTULJKESA-AAEUAGOBSA-N 0 0 331.397 3.258 10 5 EGBERN Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccn1C ZINC000619617350 460397462 /nfs/dbraw/zinc/39/74/62/460397462.db2.gz KDLJKFUPDXNFHF-UHFFFAOYSA-N 0 0 341.289 3.191 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000611585484 460409475 /nfs/dbraw/zinc/40/94/75/460409475.db2.gz GLJHWXKRKRMQEB-GFCCVEGCSA-N 0 0 342.342 3.364 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000600174936 460420360 /nfs/dbraw/zinc/42/03/60/460420360.db2.gz ZFNVLWDRHMRXOB-CYBMUJFWSA-N 0 0 334.416 3.439 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC(C2CCOCC2)C1 ZINC000619728642 460424026 /nfs/dbraw/zinc/42/40/26/460424026.db2.gz LJRDQLRXFYVRRZ-UHFFFAOYSA-N 0 0 333.388 3.102 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704404 460432543 /nfs/dbraw/zinc/43/25/43/460432543.db2.gz ALZYWEYLRHLMLE-AWEZNQCLSA-N 0 0 330.388 3.324 10 5 EGBERN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000611700744 460433076 /nfs/dbraw/zinc/43/30/76/460433076.db2.gz DTUJRQKFGWRSGK-JTQLQIEISA-N 0 0 338.323 3.440 10 5 EGBERN C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000611708770 460435094 /nfs/dbraw/zinc/43/50/94/460435094.db2.gz QQKXHSWEDZVWCL-SNVBAGLBSA-N 0 0 344.321 3.454 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@@H](CCF)C3)o2)c1 ZINC000600206412 460439734 /nfs/dbraw/zinc/43/97/34/460439734.db2.gz XGCILFPAVNEPLQ-HNNXBMFYSA-N 0 0 334.347 3.415 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604531524 460441923 /nfs/dbraw/zinc/44/19/23/460441923.db2.gz RNVFOLFITGDXHI-LLVKDONJSA-N 0 0 325.434 3.033 10 5 EGBERN O=[N+]([O-])c1ncccc1N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000604555765 460446259 /nfs/dbraw/zinc/44/62/59/460446259.db2.gz BLRTUIJJGJCIJO-HNNXBMFYSA-N 0 0 347.378 3.416 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)ccc2OC)c1 ZINC000611744078 460448067 /nfs/dbraw/zinc/44/80/67/460448067.db2.gz XURCRNFBXZPRJN-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000604566677 460450090 /nfs/dbraw/zinc/45/00/90/460450090.db2.gz FSXJJRHZEGRDPE-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCc2ccccc21 ZINC000604573106 460451899 /nfs/dbraw/zinc/45/18/99/460451899.db2.gz MKHHTQKRJNFOAB-UHFFFAOYSA-N 0 0 339.395 3.086 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000619871054 460457847 /nfs/dbraw/zinc/45/78/47/460457847.db2.gz ICUBCXPMLHYUQY-ZFWWWQNUSA-N 0 0 345.786 3.106 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000616055159 460460134 /nfs/dbraw/zinc/46/01/34/460460134.db2.gz RJWWYOGOSZBBEE-UWVGGRQHSA-N 0 0 329.194 3.381 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000616055158 460460613 /nfs/dbraw/zinc/46/06/13/460460613.db2.gz RJWWYOGOSZBBEE-NXEZZACHSA-N 0 0 329.194 3.381 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600360650 460480691 /nfs/dbraw/zinc/48/06/91/460480691.db2.gz HOJFORIEXHTMSN-GOSISDBHSA-N 0 0 346.383 3.402 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000600379245 460486588 /nfs/dbraw/zinc/48/65/88/460486588.db2.gz DYFKWWAGSKXNIG-UHFFFAOYSA-N 0 0 348.371 3.108 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000600391697 460487662 /nfs/dbraw/zinc/48/76/62/460487662.db2.gz YNLRYDGZTOMQMI-UHFFFAOYSA-N 0 0 344.358 3.334 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600396555 460488978 /nfs/dbraw/zinc/48/89/78/460488978.db2.gz ZLFIETRJBGBXDN-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000600422766 460493264 /nfs/dbraw/zinc/49/32/64/460493264.db2.gz XEZBLAYAGAUPAY-UHFFFAOYSA-N 0 0 339.273 3.140 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000600444806 460496245 /nfs/dbraw/zinc/49/62/45/460496245.db2.gz KJFWXMBPONXGPU-KLFGWDPYSA-N 0 0 338.429 3.004 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000600444810 460496341 /nfs/dbraw/zinc/49/63/41/460496341.db2.gz KJFWXMBPONXGPU-SQRMYFJTSA-N 0 0 338.429 3.004 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000600479250 460503387 /nfs/dbraw/zinc/50/33/87/460503387.db2.gz VKPXTFWVZBSKKR-NUEKZKHPSA-N 0 0 343.770 3.020 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000600510989 460508063 /nfs/dbraw/zinc/50/80/63/460508063.db2.gz RSWLTVNBXBVAGP-IFXJQAMLSA-N 0 0 346.427 3.127 10 5 EGBERN C[C@](CO)(NCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150568 460733836 /nfs/dbraw/zinc/73/38/36/460733836.db2.gz ZOPOSEQBHVXCBG-CQSZACIVSA-N 0 0 326.805 3.307 10 5 EGBERN CCc1ccc([C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CCO2)cc1 ZINC000601153270 460734015 /nfs/dbraw/zinc/73/40/15/460734015.db2.gz WEPVSQCZIRYXKM-MRXNPFEDSA-N 0 0 331.347 3.269 10 5 EGBERN C[C@H]1Oc2ccccc2[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165730 460738527 /nfs/dbraw/zinc/73/85/27/460738527.db2.gz FTSBBGVLLBBQCC-XCBNKYQSSA-N 0 0 342.277 3.281 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1Cc2cccc(F)c2C1 ZINC000601174628 460741566 /nfs/dbraw/zinc/74/15/66/460741566.db2.gz YPANPTDOORVXPP-UHFFFAOYSA-N 0 0 330.241 3.006 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000601208907 460750891 /nfs/dbraw/zinc/75/08/91/460750891.db2.gz QHILSMYWXSBCQI-SNVBAGLBSA-N 0 0 331.756 3.379 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(Cc4nccs4)CC3)nc2c1 ZINC000601216696 460755046 /nfs/dbraw/zinc/75/50/46/460755046.db2.gz VMNOSYTXUXTBQT-UHFFFAOYSA-N 0 0 343.412 3.387 10 5 EGBERN C[C@@H](C(=O)Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])cc1F ZINC000617149248 460760202 /nfs/dbraw/zinc/76/02/02/460760202.db2.gz SRKNTJFUPZKDNI-SNVBAGLBSA-N 0 0 340.314 3.419 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CCC3)[C@H]3CCCO3)c2c1 ZINC000601250143 460764497 /nfs/dbraw/zinc/76/44/97/460764497.db2.gz JAKXVXBRSXGLJT-CVEARBPZSA-N 0 0 328.372 3.298 10 5 EGBERN COc1cncc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000601343418 460791642 /nfs/dbraw/zinc/79/16/42/460791642.db2.gz NNAVQWSQLKTEIM-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccncc1 ZINC000601354982 460793970 /nfs/dbraw/zinc/79/39/70/460793970.db2.gz ZCKQDOBRPVSXIO-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN C[C@@H]1CCn2cc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)nc2C1 ZINC000601353975 460794178 /nfs/dbraw/zinc/79/41/78/460794178.db2.gz UZUIPNWPEVCHGL-LLVKDONJSA-N 0 0 339.355 3.014 10 5 EGBERN Cc1c(-c2noc(-c3cn4c(n3)C[C@H](C)CC4)n2)cccc1[N+](=O)[O-] ZINC000601380284 460799643 /nfs/dbraw/zinc/79/96/43/460799643.db2.gz LMKDPTHDQJYLEV-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN O=C(NCC[C@@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601418764 460808500 /nfs/dbraw/zinc/80/85/00/460808500.db2.gz AROZHTAFSYYFPC-INIZCTEOSA-N 0 0 332.400 3.092 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cn1 ZINC000601426611 460809456 /nfs/dbraw/zinc/80/94/56/460809456.db2.gz HRZPCOPOTRCZGN-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(C)C)n1 ZINC000617382131 460838425 /nfs/dbraw/zinc/83/84/25/460838425.db2.gz VGAMWRBKURYMFG-KRWDZBQOSA-N 0 0 342.399 3.207 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601658193 460858910 /nfs/dbraw/zinc/85/89/10/460858910.db2.gz KPEQEXYQKVJGGU-HNNXBMFYSA-N 0 0 343.358 3.078 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601660326 460860667 /nfs/dbraw/zinc/86/06/67/460860667.db2.gz YNDOJBCWFQYNGY-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000601662892 460861724 /nfs/dbraw/zinc/86/17/24/460861724.db2.gz UHVFIOSWTPMZQD-LBPRGKRZSA-N 0 0 336.363 3.298 10 5 EGBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cscn1 ZINC000601666643 460863292 /nfs/dbraw/zinc/86/32/92/460863292.db2.gz MJJUEXFCCJNKNT-NSHDSACASA-N 0 0 331.397 3.350 10 5 EGBERN CC[C@@H](NC(=O)NCCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000613218543 460871388 /nfs/dbraw/zinc/87/13/88/460871388.db2.gz VYTQLEBYNRCYDO-MRXNPFEDSA-N 0 0 335.404 3.162 10 5 EGBERN CCOc1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000601703985 460877133 /nfs/dbraw/zinc/87/71/33/460877133.db2.gz YHDIPIXVSMOHKJ-UHFFFAOYSA-N 0 0 329.356 3.378 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(Cc2nccs2)CC1 ZINC000601744195 460888419 /nfs/dbraw/zinc/88/84/19/460888419.db2.gz YWNSMLCVQILYDR-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN CCc1sc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000601782343 460897138 /nfs/dbraw/zinc/89/71/38/460897138.db2.gz YPLKUHOCLNVFLO-QGZVFWFLSA-N 0 0 348.424 3.165 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000601797488 460900774 /nfs/dbraw/zinc/90/07/74/460900774.db2.gz FBEWJZRVAJJYAY-GFCCVEGCSA-N 0 0 342.342 3.016 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601885954 460936928 /nfs/dbraw/zinc/93/69/28/460936928.db2.gz NTFDBZOETLPALF-IAGOWNOFSA-N 0 0 348.399 3.071 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC23CCOCC3)nc1-c1ccccc1 ZINC000617976650 461049224 /nfs/dbraw/zinc/04/92/24/461049224.db2.gz HOJIFTMDNKDEIC-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC2(CC2(F)F)C1 ZINC000655188319 461127574 /nfs/dbraw/zinc/12/75/74/461127574.db2.gz SUZMULRMFFQGFC-UHFFFAOYSA-N 0 0 340.329 3.163 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000159745986 534222555 /nfs/dbraw/zinc/22/25/55/534222555.db2.gz ASGRPJNGJOTOBG-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN CC(C)(C(=O)NCCCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000343205358 534332413 /nfs/dbraw/zinc/33/24/13/534332413.db2.gz ARZHRMDCNBXNRU-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000183588932 534424937 /nfs/dbraw/zinc/42/49/37/534424937.db2.gz XYBKSNOGQUEXJF-BDAKNGLRSA-N 0 0 332.282 3.232 10 5 EGBERN CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1cccc(O)c1 ZINC000191525778 527809523 /nfs/dbraw/zinc/80/95/23/527809523.db2.gz XDAOHKSIUNJLIE-KRWDZBQOSA-N 0 0 344.367 3.003 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153703625 527954043 /nfs/dbraw/zinc/95/40/43/527954043.db2.gz OLGDKNKTOBHLFW-ZDUSSCGKSA-N 0 0 339.823 3.129 10 5 EGBERN CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1cccc(O)c1 ZINC000191525765 528042130 /nfs/dbraw/zinc/04/21/30/528042130.db2.gz XDAOHKSIUNJLIE-QGZVFWFLSA-N 0 0 344.367 3.003 10 5 EGBERN CCOC(=O)c1csc(CCNc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000190212248 528339303 /nfs/dbraw/zinc/33/93/03/528339303.db2.gz LIXAMDOWYCGFGY-UHFFFAOYSA-N 0 0 339.348 3.022 10 5 EGBERN CCCc1n[nH]c(C(=O)NCc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC000185402231 528548399 /nfs/dbraw/zinc/54/83/99/528548399.db2.gz GJTJRHJAOMQQHH-UHFFFAOYSA-N 0 0 338.314 3.138 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000162342564 528605724 /nfs/dbraw/zinc/60/57/24/528605724.db2.gz YSSUXPNKOIAWCG-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CC(C)[C@H](Nc1ncc([N+](=O)[O-])s1)c1nc(-c2cccnc2)no1 ZINC000192493551 535127591 /nfs/dbraw/zinc/12/75/91/535127591.db2.gz PCTUXAKUEMMGSI-NSHDSACASA-N 0 0 346.372 3.306 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000193608948 535327803 /nfs/dbraw/zinc/32/78/03/535327803.db2.gz MAKFWHGZDXHPKG-UHFFFAOYSA-N 0 0 330.388 3.194 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2[nH]c3ccccc3c2C1 ZINC000195342181 536144326 /nfs/dbraw/zinc/14/43/26/536144326.db2.gz NEMORDCFEMBZOF-UHFFFAOYSA-N 0 0 325.372 3.164 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000338099076 536893256 /nfs/dbraw/zinc/89/32/56/536893256.db2.gz OSKQRSSCRGRUHJ-MRXNPFEDSA-N 0 0 344.342 3.089 10 5 EGBERN O=C(Nc1cccc(Oc2ncccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000032027862 546536327 /nfs/dbraw/zinc/53/63/27/546536327.db2.gz LEWGUPOURSBZQR-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000728991446 574791906 /nfs/dbraw/zinc/79/19/06/574791906.db2.gz KRPKJJNTCSCJIM-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000730193224 574940288 /nfs/dbraw/zinc/94/02/88/574940288.db2.gz SKAFKJAQRBPLMH-VGMNTSGFSA-N 0 0 332.400 3.416 10 5 EGBERN CCCCCC(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000730702491 575012442 /nfs/dbraw/zinc/01/24/42/575012442.db2.gz AKMYJXQORUSGNF-AWEZNQCLSA-N 0 0 348.399 3.323 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/C(C)(C)C)cccc1[N+](=O)[O-] ZINC000732405490 575267613 /nfs/dbraw/zinc/26/76/13/575267613.db2.gz UCGIXZRMKBQDSL-BZYZDCJZSA-N 0 0 334.372 3.376 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733302857 575324483 /nfs/dbraw/zinc/32/44/83/575324483.db2.gz UFNSOMWPCLUDRU-UHFFFAOYSA-N 0 0 343.730 3.391 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000734402245 575480066 /nfs/dbraw/zinc/48/00/66/575480066.db2.gz JXSIVNNUIAALKL-KBPBESRZSA-N 0 0 344.415 3.277 10 5 EGBERN C[C@@H](COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000735142996 575612251 /nfs/dbraw/zinc/61/22/51/575612251.db2.gz CRYPZTPFUQKLPU-ZDUSSCGKSA-N 0 0 343.335 3.133 10 5 EGBERN CCC/C=C\C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000735211617 575622197 /nfs/dbraw/zinc/62/21/97/575622197.db2.gz QAGOETBYRIJOSB-PLNGDYQASA-N 0 0 333.388 3.106 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000735800920 575717281 /nfs/dbraw/zinc/71/72/81/575717281.db2.gz ROZPRFSZCALQDY-LLVKDONJSA-N 0 0 337.763 3.366 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCNc2ccccc2)c([N+](=O)[O-])c1 ZINC000736294510 575928415 /nfs/dbraw/zinc/92/84/15/575928415.db2.gz LUMUWYWONOMNHZ-CSKARUKUSA-N 0 0 341.367 3.305 10 5 EGBERN CC(C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)N1CCCCC1 ZINC000741011523 576645600 /nfs/dbraw/zinc/64/56/00/576645600.db2.gz DPUONEVWXRVSLM-AWEZNQCLSA-N 0 0 326.418 3.210 10 5 EGBERN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000742528995 576788611 /nfs/dbraw/zinc/78/86/11/576788611.db2.gz ZRFPUVDPVPEVLK-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN C[C@H]1CCCC[N@@H+]1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000742833821 576796156 /nfs/dbraw/zinc/79/61/56/576796156.db2.gz HGYZEZMRJDYSGJ-KGXGESDWSA-N 0 0 347.415 3.369 10 5 EGBERN O=C(OCCOc1cccnc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000744143007 576821431 /nfs/dbraw/zinc/82/14/31/576821431.db2.gz YCTAIICYFMFDPW-UHFFFAOYSA-N 0 0 344.348 3.440 10 5 EGBERN O=C(OCc1cccc(Cl)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000744904249 576836687 /nfs/dbraw/zinc/83/66/87/576836687.db2.gz JOTRMBIVWBSCOW-UHFFFAOYSA-N 0 0 331.715 3.482 10 5 EGBERN CC(=O)c1ccc(NCCOC(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000872701007 1297059223 /nfs/dbraw/zinc/05/92/23/1297059223.db2.gz DCHLIZULRZSMAT-UHFFFAOYSA-N 0 0 342.220 3.381 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000088224993 1292748643 /nfs/dbraw/zinc/74/86/43/1292748643.db2.gz FUPRXJIBMVYSLB-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN Cc1cccc(NC(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000096911564 1292955225 /nfs/dbraw/zinc/95/52/25/1292955225.db2.gz UUEQVUSILMRQGQ-WAYWQWQTSA-N 0 0 340.335 3.422 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(Cl)cc2)c1 ZINC000133903483 1293756323 /nfs/dbraw/zinc/75/63/23/1293756323.db2.gz DNIGHQMMGVJQDE-UHFFFAOYSA-N 0 0 327.745 3.157 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000152528313 1293972537 /nfs/dbraw/zinc/97/25/37/1293972537.db2.gz NHQKIEMYDHWBJP-UHFFFAOYSA-N 0 0 345.786 3.211 10 5 EGBERN O=C(NCCc1ccccc1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171503764 1294409493 /nfs/dbraw/zinc/40/94/93/1294409493.db2.gz VUNDTWZPBSBOQF-UHFFFAOYSA-N 0 0 335.747 3.318 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000869999447 1295586584 /nfs/dbraw/zinc/58/65/84/1295586584.db2.gz HMIHQKTVJQLVLJ-YIONKMFJSA-N 0 0 331.368 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870700570 1296028374 /nfs/dbraw/zinc/02/83/74/1296028374.db2.gz IMEKPUJODGHXRE-LSDHHAIUSA-N 0 0 333.384 3.318 10 5 EGBERN CC1CCC(N(C)C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000206841224 1296094834 /nfs/dbraw/zinc/09/48/34/1296094834.db2.gz PYOHFDHYOWLDRO-YVMONPNESA-N 0 0 346.383 3.374 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)/C(F)=C/C1CCCCC1 ZINC000870828378 1296106611 /nfs/dbraw/zinc/10/66/11/1296106611.db2.gz PSHPTGYMOAJXFA-UUASQNMZSA-N 0 0 337.351 3.472 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000871122079 1296233897 /nfs/dbraw/zinc/23/38/97/1296233897.db2.gz HTOCNNSRMDHIBE-LSDHHAIUSA-N 0 0 336.363 3.120 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871211715 1296276368 /nfs/dbraw/zinc/27/63/68/1296276368.db2.gz PYNJODLDQYFHOT-UHFFFAOYSA-N 0 0 331.250 3.080 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871294900 1296324478 /nfs/dbraw/zinc/32/44/78/1296324478.db2.gz WGSFDBPEALSPNL-CZUORRHYSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000871303426 1296332529 /nfs/dbraw/zinc/33/25/29/1296332529.db2.gz YGRSJRQIJHZJPB-WFASDCNBSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871309319 1296338544 /nfs/dbraw/zinc/33/85/44/1296338544.db2.gz FFIFZUQLFCULLN-OWLYRPNTSA-N 0 0 344.411 3.020 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871333812 1296357880 /nfs/dbraw/zinc/35/78/80/1296357880.db2.gz KIBWZXMKCRZIQW-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871335543 1296358997 /nfs/dbraw/zinc/35/89/97/1296358997.db2.gz LOUYORSTPVFDGG-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871583248 1296441441 /nfs/dbraw/zinc/44/14/41/1296441441.db2.gz NDFSBJKFEKPGNA-HECSCLNYSA-N 0 0 344.411 3.321 10 5 EGBERN COC(=O)Cc1cccc(OC)c1OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000871753356 1296517614 /nfs/dbraw/zinc/51/76/14/1296517614.db2.gz RDTBSTJHSGVAOL-UHFFFAOYSA-N 0 0 345.351 3.206 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OCc2nnc3n2CCCCC3)cc1Cl ZINC000871800964 1296542774 /nfs/dbraw/zinc/54/27/74/1296542774.db2.gz BXRAPKLNESHWBV-UHFFFAOYSA-N 0 0 340.742 3.284 10 5 EGBERN CC(C)(CCc1noc(Cc2cccc3ncccc23)n1)[N+](=O)[O-] ZINC000871847186 1296565204 /nfs/dbraw/zinc/56/52/04/1296565204.db2.gz DODASNAUYHJNGV-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090507 1296728708 /nfs/dbraw/zinc/72/87/08/1296728708.db2.gz QHIZFTZRRBFYBJ-ZBEGNZNMSA-N 0 0 343.358 3.211 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000312220468 1297115383 /nfs/dbraw/zinc/11/53/83/1297115383.db2.gz DNBFEUJLWRXSRR-RKDXNWHRSA-N 0 0 342.193 3.061 10 5 EGBERN CC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000873343455 1297448416 /nfs/dbraw/zinc/44/84/16/1297448416.db2.gz QTCHKQUUWQWWSD-CQSZACIVSA-N 0 0 333.365 3.322 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000873577272 1297601968 /nfs/dbraw/zinc/60/19/68/1297601968.db2.gz ZXGYYWAJAQZMSK-WFASDCNBSA-N 0 0 337.372 3.354 10 5 EGBERN COc1c(C(=O)O[C@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873577482 1297603067 /nfs/dbraw/zinc/60/30/67/1297603067.db2.gz WOWGEHFYSRBYQA-LBPRGKRZSA-N 0 0 335.356 3.252 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000876403459 1298741417 /nfs/dbraw/zinc/74/14/17/1298741417.db2.gz KENQCVKHYNEHEY-VXGBXAGGSA-N 0 0 344.289 3.230 10 5 EGBERN COc1cc(NCc2cn(C)nc2[N+](=O)[O-])c(C2CC2)cc1Cl ZINC000877620550 1299438577 /nfs/dbraw/zinc/43/85/77/1299438577.db2.gz JDDDSQTXGUBONJ-UHFFFAOYSA-N 0 0 336.779 3.480 10 5 EGBERN CC1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC000881525116 1301597111 /nfs/dbraw/zinc/59/71/11/1301597111.db2.gz BUAKNPPRUSVQKX-UHFFFAOYSA-N 0 0 334.269 3.238 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2nccs2)C1 ZINC000881709793 1301701287 /nfs/dbraw/zinc/70/12/87/1301701287.db2.gz VELYEGVRTWOIEM-HCYCVZQXSA-N 0 0 343.408 3.471 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882751405 1302089347 /nfs/dbraw/zinc/08/93/47/1302089347.db2.gz MDKPBUHYAJDYON-BBRMVZONSA-N 0 0 338.363 3.435 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC000886467820 1303472019 /nfs/dbraw/zinc/47/20/19/1303472019.db2.gz LNBFQYUYFMGNRT-QFSNBGPKSA-N 0 0 330.384 3.026 10 5 EGBERN CC(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000887400877 1303780995 /nfs/dbraw/zinc/78/09/95/1303780995.db2.gz LPLHGMDERSRHAV-JTQLQIEISA-N 0 0 332.381 3.392 10 5 EGBERN CC(C)(NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000891144042 1304967370 /nfs/dbraw/zinc/96/73/70/1304967370.db2.gz BQEOBVZHKKTNQR-ZDUSSCGKSA-N 0 0 332.400 3.438 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000891298730 1305009868 /nfs/dbraw/zinc/00/98/68/1305009868.db2.gz NESYRAHHKWFPFL-OCCSQVGLSA-N 0 0 348.399 3.180 10 5 EGBERN Nc1c(C(=O)N2CC[C@]3(CC3(F)F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000892419658 1305363236 /nfs/dbraw/zinc/36/32/36/1305363236.db2.gz GSDUQBLMOOFCTO-INIZCTEOSA-N 0 0 347.321 3.202 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC000893333760 1305835382 /nfs/dbraw/zinc/83/53/82/1305835382.db2.gz WCXDGBXXERFRBO-CYBMUJFWSA-N 0 0 340.807 3.112 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1ccns1 ZINC000893378847 1305858798 /nfs/dbraw/zinc/85/87/98/1305858798.db2.gz ITUUKAREQYIPNX-SNVBAGLBSA-N 0 0 338.410 3.318 10 5 EGBERN O=C(C=C1CCC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893619230 1305990285 /nfs/dbraw/zinc/99/02/85/1305990285.db2.gz PAZBTJAQKMDVER-UHFFFAOYSA-N 0 0 325.162 3.084 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893885732 1306112661 /nfs/dbraw/zinc/11/26/61/1306112661.db2.gz HAFPAUCWPWTENG-UKRRQHHQSA-N 0 0 342.399 3.043 10 5 EGBERN C[C@@H]1Cn2nccc2N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000893906032 1306123439 /nfs/dbraw/zinc/12/34/39/1306123439.db2.gz VAYDVZYDSMDAHS-LBPRGKRZSA-N 0 0 342.399 3.385 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(C2CC2)no1 ZINC000894268274 1306311809 /nfs/dbraw/zinc/31/18/09/1306311809.db2.gz CMSILVKUOOMGOG-UHFFFAOYSA-N 0 0 329.356 3.315 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000894348531 1306354241 /nfs/dbraw/zinc/35/42/41/1306354241.db2.gz JDFMEXNNJMMPTE-YGRLFVJLSA-N 0 0 333.775 3.412 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000894400966 1308856391 /nfs/dbraw/zinc/85/63/91/1308856391.db2.gz FABWYGHHZAYMDL-NSHDSACASA-N 0 0 336.413 3.006 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000894530954 1308939713 /nfs/dbraw/zinc/93/97/13/1308939713.db2.gz QNNKJGOLTVGSQA-GFCCVEGCSA-N 0 0 338.791 3.327 10 5 EGBERN C[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000894664754 1309011925 /nfs/dbraw/zinc/01/19/25/1309011925.db2.gz RPDIDPUEBIQOKR-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894706487 1309030597 /nfs/dbraw/zinc/03/05/97/1309030597.db2.gz XLKGVYZOSYXHCP-YOEHRIQHSA-N 0 0 332.400 3.359 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nn(CC)cc1Cl ZINC000894902666 1309121188 /nfs/dbraw/zinc/12/11/88/1309121188.db2.gz KORSOGYXBIKEKA-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN O=C(NC1CCC=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000895206464 1309239416 /nfs/dbraw/zinc/23/94/16/1309239416.db2.gz FNPOGBOLOMYKQE-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895577609 1309411594 /nfs/dbraw/zinc/41/15/94/1309411594.db2.gz OJQQGDSBEKZDMQ-KXQLTZBTSA-N 0 0 330.306 3.261 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H](N(C)C)C(F)(F)F ZINC000896113045 1309705044 /nfs/dbraw/zinc/70/50/44/1309705044.db2.gz WVSAXUKTKREHGT-ZDUSSCGKSA-N 0 0 333.310 3.092 10 5 EGBERN CCOc1cc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000917552714 1319833830 /nfs/dbraw/zinc/83/38/30/1319833830.db2.gz KQWBCPCHGBMMSQ-MFKMUULPSA-N 0 0 335.278 3.482 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000917709735 1319865124 /nfs/dbraw/zinc/86/51/24/1319865124.db2.gz IGHGASSAQNSTAB-IMTBSYHQSA-N 0 0 326.658 3.132 10 5 EGBERN C[C@@H]1CC2(CC(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)CO1 ZINC000929211678 1328537399 /nfs/dbraw/zinc/53/73/99/1328537399.db2.gz KMCKABBXJUUJLJ-IWPPJYEWSA-N 0 0 339.779 3.327 10 5 EGBERN Cc1c(NC(=O)N2CCS[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000929221892 1328541384 /nfs/dbraw/zinc/54/13/84/1328541384.db2.gz ZFYLCIPHPXDIRS-LLVKDONJSA-N 0 0 349.334 3.415 10 5 EGBERN Cc1c(OC(=O)[C@@H]2COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000857580040 1328553726 /nfs/dbraw/zinc/55/37/26/1328553726.db2.gz MTFBHSJLOQSBEA-LSDHHAIUSA-N 0 0 327.336 3.239 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000857600350 1328560286 /nfs/dbraw/zinc/56/02/86/1328560286.db2.gz YTUGEXLZONGTMN-SCZZXKLOSA-N 0 0 343.177 3.111 10 5 EGBERN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCC1 ZINC000857600680 1328560416 /nfs/dbraw/zinc/56/04/16/1328560416.db2.gz UESLRLYQFDZFIR-LBPRGKRZSA-N 0 0 343.177 3.111 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000857741496 1328593806 /nfs/dbraw/zinc/59/38/06/1328593806.db2.gz FVPYRDXHNLZNEL-CYBMUJFWSA-N 0 0 345.321 3.260 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857967603 1328643872 /nfs/dbraw/zinc/64/38/72/1328643872.db2.gz FQNDDDDBGDRPRS-LBPRGKRZSA-N 0 0 331.759 3.103 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000857970614 1328644487 /nfs/dbraw/zinc/64/44/87/1328644487.db2.gz KPYVBGLBMOCMKY-LBPRGKRZSA-N 0 0 331.759 3.103 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cncc21 ZINC000857981688 1328646652 /nfs/dbraw/zinc/64/66/52/1328646652.db2.gz INGFCDOJUAIBBI-ZDUSSCGKSA-N 0 0 346.412 3.168 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000899684450 1317133106 /nfs/dbraw/zinc/13/31/06/1317133106.db2.gz ICSXEFVVNGOCDK-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccns1 ZINC000858576269 1328797531 /nfs/dbraw/zinc/79/75/31/1328797531.db2.gz ATPDNBBONGTDDI-QWRGUYRKSA-N 0 0 334.401 3.119 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC(c3ccccn3)C2)cc1Cl ZINC000913381736 1319019690 /nfs/dbraw/zinc/01/96/90/1319019690.db2.gz IAUFMLLPNDDYJD-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000913385583 1319020158 /nfs/dbraw/zinc/02/01/58/1319020158.db2.gz DNTAVTQRUAOIMQ-GMTAPVOTSA-N 0 0 326.755 3.440 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385712 1319021302 /nfs/dbraw/zinc/02/13/02/1319021302.db2.gz BVRWWOQBCNJADH-LOKDSWTASA-N 0 0 344.770 3.063 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000858735231 1328847073 /nfs/dbraw/zinc/84/70/73/1328847073.db2.gz FKVUQNBSBVGFMR-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c(F)c1F ZINC000917796387 1319873137 /nfs/dbraw/zinc/87/31/37/1319873137.db2.gz SVJFCXARVCSPJK-HZGVNTEJSA-N 0 0 327.205 3.362 10 5 EGBERN Cc1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000917907546 1319888300 /nfs/dbraw/zinc/88/83/00/1319888300.db2.gz WFMHLIXMOVRPGC-UHFFFAOYSA-N 0 0 327.383 3.349 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1CC[C@H](C2CC2)O1 ZINC000918657700 1319984030 /nfs/dbraw/zinc/98/40/30/1319984030.db2.gz HJIYAAPMOFHDJW-VHSXEESVSA-N 0 0 343.177 3.089 10 5 EGBERN COc1cccc([C@H](O)C2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000858848116 1328875719 /nfs/dbraw/zinc/87/57/19/1328875719.db2.gz QMPAIMCNIUMECD-OAHLLOKOSA-N 0 0 349.412 3.010 10 5 EGBERN CO[C@H]1C[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000858853204 1328876849 /nfs/dbraw/zinc/87/68/49/1328876849.db2.gz GAVWYRVWKLCORG-OTSSQURYSA-N 0 0 349.265 3.359 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000930769332 1328965072 /nfs/dbraw/zinc/96/50/72/1328965072.db2.gz OMCWGOCKBFLGCA-GXSJLCMTSA-N 0 0 325.390 3.009 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000859381173 1328979078 /nfs/dbraw/zinc/97/90/78/1328979078.db2.gz HQCDWMPLAWIKNO-UHFFFAOYSA-N 0 0 327.384 3.068 10 5 EGBERN CCO[C@H](COC(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CC1 ZINC000859462896 1328992859 /nfs/dbraw/zinc/99/28/59/1328992859.db2.gz UYTBNYYOPDMKJY-CQSZACIVSA-N 0 0 325.386 3.289 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCS[C@@H](C)C1 ZINC000930885715 1328995818 /nfs/dbraw/zinc/99/58/18/1328995818.db2.gz YFHVTUXNIIILLL-UWVGGRQHSA-N 0 0 325.390 3.009 10 5 EGBERN Cc1oc(C)c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000859479224 1328997588 /nfs/dbraw/zinc/99/75/88/1328997588.db2.gz DHBWXUHDVOPJOG-UHFFFAOYSA-N 0 0 335.287 3.292 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1c(Cl)nc2ccccn21 ZINC000919235138 1322043383 /nfs/dbraw/zinc/04/33/83/1322043383.db2.gz XFUPDMUXBMXGMO-UHFFFAOYSA-N 0 0 337.744 3.314 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000920337551 1322165514 /nfs/dbraw/zinc/16/55/14/1322165514.db2.gz DWCQTTXUHOQERX-MAUKXSAKSA-N 0 0 337.379 3.455 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCC[C@@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000920981318 1322241009 /nfs/dbraw/zinc/24/10/09/1322241009.db2.gz DIJNVPULHADIDU-KRWDZBQOSA-N 0 0 328.372 3.032 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)cc1 ZINC000921267133 1322282598 /nfs/dbraw/zinc/28/25/98/1322282598.db2.gz JYYLFUKLHLMJMZ-UHFFFAOYSA-N 0 0 332.331 3.474 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000921337050 1322295728 /nfs/dbraw/zinc/29/57/28/1322295728.db2.gz DGFJGYSIHSCAIV-CXAGYDPISA-N 0 0 335.404 3.223 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@@H]2CC2CC2)cc1[N+](=O)[O-] ZINC000921337919 1322295938 /nfs/dbraw/zinc/29/59/38/1322295938.db2.gz XTRVPNZAKRJSCL-CJNGLKHVSA-N 0 0 347.415 3.175 10 5 EGBERN Cc1c(CNC(=O)NCC[C@@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922167524 1322470502 /nfs/dbraw/zinc/47/05/02/1322470502.db2.gz CKLLEIVYILMTLN-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN O=C(COC(=O)c1coc(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000859658527 1329047992 /nfs/dbraw/zinc/04/79/92/1329047992.db2.gz APRXKXDTJKIDBU-UHFFFAOYSA-N 0 0 348.286 3.029 10 5 EGBERN CCS[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000859665639 1329049477 /nfs/dbraw/zinc/04/94/77/1329049477.db2.gz UGPCIPFFKZSSAX-AWEZNQCLSA-N 0 0 343.376 3.238 10 5 EGBERN C[C@@H]1C[C@H](c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCO1 ZINC000923945141 1322852914 /nfs/dbraw/zinc/85/29/14/1322852914.db2.gz ZGUPVRNJZYGMLT-ZYHUDNBSSA-N 0 0 335.335 3.185 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1C[C@]12CCOC2 ZINC000923961155 1322855740 /nfs/dbraw/zinc/85/57/40/1322855740.db2.gz HLIJQNSDTLVTJB-BZNIZROVSA-N 0 0 339.775 3.151 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCCC1CCOCC1 ZINC000923964338 1322857488 /nfs/dbraw/zinc/85/74/88/1322857488.db2.gz YKEVMXPHQMXDHW-UHFFFAOYSA-N 0 0 339.363 3.417 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000924238775 1322948342 /nfs/dbraw/zinc/94/83/42/1322948342.db2.gz FXVJEVRVENSPCT-XUJVJEKNSA-N 0 0 339.775 3.292 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000924238767 1322948524 /nfs/dbraw/zinc/94/85/24/1322948524.db2.gz FXVJEVRVENSPCT-HUBLWGQQSA-N 0 0 339.775 3.292 10 5 EGBERN COc1ccc(COC(=O)C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000924332443 1322985706 /nfs/dbraw/zinc/98/57/06/1322985706.db2.gz QOAQBHHEYHELMT-LLVKDONJSA-N 0 0 329.299 3.472 10 5 EGBERN O=C(C[C@H]1CCCC1(F)F)OCCOc1ccccc1[N+](=O)[O-] ZINC000924333328 1322986840 /nfs/dbraw/zinc/98/68/40/1322986840.db2.gz VFJAXQMXXSEDBY-LLVKDONJSA-N 0 0 329.299 3.342 10 5 EGBERN O=C(C[C@@H]1CCCC1(F)F)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000924334774 1322987198 /nfs/dbraw/zinc/98/71/98/1322987198.db2.gz FSTRRLMXZPGHGU-VIFPVBQESA-N 0 0 345.273 3.285 10 5 EGBERN CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810344 1329082844 /nfs/dbraw/zinc/08/28/44/1329082844.db2.gz MDCZVWRDPDNAED-NEPJUHHUSA-N 0 0 344.367 3.208 10 5 EGBERN CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811128 1329083411 /nfs/dbraw/zinc/08/34/11/1329083411.db2.gz HDVODOCUXZJYBP-GFCCVEGCSA-N 0 0 344.367 3.160 10 5 EGBERN COc1cc(COC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000859854042 1329097630 /nfs/dbraw/zinc/09/76/30/1329097630.db2.gz GSSPEEFBUCRXIY-FHLIZLRMSA-N 0 0 339.347 3.233 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000931342765 1329098931 /nfs/dbraw/zinc/09/89/31/1329098931.db2.gz JVNZUPWIVDFBJG-TZGMSPROSA-N 0 0 345.182 3.387 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000859907218 1329109125 /nfs/dbraw/zinc/10/91/25/1329109125.db2.gz VDEDUFRKNOZDCU-VIFPVBQESA-N 0 0 336.779 3.333 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000860070082 1329140388 /nfs/dbraw/zinc/14/03/88/1329140388.db2.gz JZDVCUUCMICHCQ-GFCCVEGCSA-N 0 0 325.336 3.371 10 5 EGBERN CC1(C)CC2(CC(NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)CO1 ZINC000931609357 1329153381 /nfs/dbraw/zinc/15/33/81/1329153381.db2.gz GPYCSUVTGFHHIV-UHFFFAOYSA-N 0 0 337.351 3.203 10 5 EGBERN COC(=O)C1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000860188551 1329169850 /nfs/dbraw/zinc/16/98/50/1329169850.db2.gz UZKSYHHONCGEAG-GHMZBOCLSA-N 0 0 340.807 3.410 10 5 EGBERN C[S@@](=O)(=NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000926014633 1325389144 /nfs/dbraw/zinc/38/91/44/1325389144.db2.gz FYQAUAFXPOONMU-QHCPKHFHSA-N 0 0 338.429 3.485 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC000862146747 1329461988 /nfs/dbraw/zinc/46/19/88/1329461988.db2.gz ATLCLGIYQWYCIC-YPMHNXCESA-N 0 0 326.780 3.326 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927394737 1328003158 /nfs/dbraw/zinc/00/31/58/1328003158.db2.gz YEVXCPOTRDMZQJ-YOGCLGLASA-N 0 0 338.404 3.446 10 5 EGBERN Cc1cc(F)cc(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000927399439 1328006880 /nfs/dbraw/zinc/00/68/80/1328006880.db2.gz OKRUQHOMQPTTCK-VGPLMAKISA-N 0 0 338.404 3.446 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927409668 1328014566 /nfs/dbraw/zinc/01/45/66/1328014566.db2.gz HUXMFVFCJVPOBB-DOMZBBRYSA-N 0 0 327.384 3.171 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927702726 1328111047 /nfs/dbraw/zinc/11/10/47/1328111047.db2.gz XLCSQKUAKGRRIN-KDOFPFPSSA-N 0 0 329.400 3.459 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000928236421 1328248410 /nfs/dbraw/zinc/24/84/10/1328248410.db2.gz AZDTZPYOKOKICQ-LLVKDONJSA-N 0 0 326.418 3.384 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncccn1)C1CC1 ZINC000928581218 1328361170 /nfs/dbraw/zinc/36/11/70/1328361170.db2.gz LUQVDRQGGOICGL-PCUGXKRQSA-N 0 0 338.367 3.056 10 5 EGBERN CCn1nccc1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445527 1329418800 /nfs/dbraw/zinc/41/88/00/1329418800.db2.gz JWQAMWCKTLESKL-LBPRGKRZSA-N 0 0 343.261 3.272 10 5 EGBERN O=C(CCn1cccn1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861444704 1329418833 /nfs/dbraw/zinc/41/88/33/1329418833.db2.gz RQNVUYFECUXASI-CYBMUJFWSA-N 0 0 343.261 3.028 10 5 EGBERN CC(C)(/C=C/Cl)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000928933888 1328477197 /nfs/dbraw/zinc/47/71/97/1328477197.db2.gz QBLCALGSCGELII-BQYQJAHWSA-N 0 0 349.774 3.169 10 5 EGBERN C[C@H](CN1C(=O)N[C@@H](c2cccs2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929001190 1328486362 /nfs/dbraw/zinc/48/63/62/1328486362.db2.gz GTULRUFRDVBINO-YGRLFVJLSA-N 0 0 345.380 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929132471 1328514692 /nfs/dbraw/zinc/51/46/92/1328514692.db2.gz DNEUVFPZXSLOGL-CMPLNLGQSA-N 0 0 332.278 3.342 10 5 EGBERN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000929133099 1328514771 /nfs/dbraw/zinc/51/47/71/1328514771.db2.gz KBAGSOWPUKBAHB-RYUDHWBXSA-N 0 0 332.278 3.423 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861746375 1329439291 /nfs/dbraw/zinc/43/92/91/1329439291.db2.gz KMZWVEIOIWOBGV-IBGZPJMESA-N 0 0 342.395 3.373 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000861762167 1329440183 /nfs/dbraw/zinc/44/01/83/1329440183.db2.gz FNTRFSCCCYIEFY-TVQRCGJNSA-N 0 0 327.178 3.324 10 5 EGBERN O=C(N[C@@H]1CC12CCOCC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861905347 1329449322 /nfs/dbraw/zinc/44/93/22/1329449322.db2.gz SLJGDFHIPOTPEY-MRXNPFEDSA-N 0 0 326.352 3.047 10 5 EGBERN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101289 1329459226 /nfs/dbraw/zinc/45/92/26/1329459226.db2.gz PLPQUBLGIZDHPB-TZMCWYRMSA-N 0 0 330.384 3.275 10 5 EGBERN CC1(c2nsc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC000862610129 1329499099 /nfs/dbraw/zinc/49/90/99/1329499099.db2.gz CALYKRVKRJVZJH-UHFFFAOYSA-N 0 0 338.776 3.404 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000862807317 1329512306 /nfs/dbraw/zinc/51/23/06/1329512306.db2.gz QRDYUWLOYAYEJW-KRWDZBQOSA-N 0 0 346.408 3.089 10 5 EGBERN CC1(C)CCc2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2O1 ZINC000863046369 1329525894 /nfs/dbraw/zinc/52/58/94/1329525894.db2.gz DSOVBCFHFSPHRZ-UHFFFAOYSA-N 0 0 343.339 3.051 10 5 EGBERN C/C=C(/C=C\C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC ZINC000863301663 1329545164 /nfs/dbraw/zinc/54/51/64/1329545164.db2.gz YEOYQNNMUPJZCP-FKRBGINTSA-N 0 0 346.383 3.012 10 5 EGBERN COc1ccc([C@@H]2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1F ZINC000863337438 1329548174 /nfs/dbraw/zinc/54/81/74/1329548174.db2.gz ZPIFIAYZBMQCKX-CQSZACIVSA-N 0 0 348.378 3.003 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)n1 ZINC000863601687 1329565747 /nfs/dbraw/zinc/56/57/47/1329565747.db2.gz MSXFFZYFLFVRLU-UHFFFAOYSA-N 0 0 346.362 3.316 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000863815637 1329583347 /nfs/dbraw/zinc/58/33/47/1329583347.db2.gz YZPMQFFERCFKIY-ZZKXABKFSA-N 0 0 333.344 3.321 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000865257606 1329680430 /nfs/dbraw/zinc/68/04/30/1329680430.db2.gz CSYPNCQDDZAQOY-LSDHHAIUSA-N 0 0 335.429 3.229 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@H]1CCC(C)(C)CO1 ZINC000865353382 1329688270 /nfs/dbraw/zinc/68/82/70/1329688270.db2.gz ZDIGNBYOUHDXNH-SECBINFHSA-N 0 0 332.198 3.067 10 5 EGBERN CCOC(=O)c1cnn(Cc2ccc(C)c([N+](=O)[O-])c2)c1C(F)F ZINC000865355532 1329688407 /nfs/dbraw/zinc/68/84/07/1329688407.db2.gz JLWYVHCDUHVHGL-UHFFFAOYSA-N 0 0 339.298 3.262 10 5 EGBERN Cc1c(Br)c(=O)n([C@H](C)C(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000865364430 1329688968 /nfs/dbraw/zinc/68/89/68/1329688968.db2.gz NMIVULUOBSOPDR-MRVPVSSYSA-N 0 0 345.193 3.004 10 5 EGBERN Cc1ccc(CNCc2c(Cl)nc(Cl)n2C)cc1[N+](=O)[O-] ZINC000865788030 1329738741 /nfs/dbraw/zinc/73/87/41/1329738741.db2.gz XAQBLQFCKOUWHO-UHFFFAOYSA-N 0 0 329.187 3.233 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]1O ZINC000866002501 1329758107 /nfs/dbraw/zinc/75/81/07/1329758107.db2.gz ZHDYCKQMACITIM-GDLCADMTSA-N 0 0 342.342 3.182 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000866005607 1329758361 /nfs/dbraw/zinc/75/83/61/1329758361.db2.gz YTBIHOYRDKEWJQ-HFCFLWKCSA-N 0 0 346.427 3.239 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1cc(C)ccc1[N+](=O)[O-])CC2 ZINC000866039693 1330058482 /nfs/dbraw/zinc/05/84/82/1330058482.db2.gz DDJBIGZQHLFNMV-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000866054091 1330060261 /nfs/dbraw/zinc/06/02/61/1330060261.db2.gz XAFMUVFPQRSKTO-GJZGRUSLSA-N 0 0 333.775 3.346 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000866077809 1330063086 /nfs/dbraw/zinc/06/30/86/1330063086.db2.gz ZHSBCTSHPBGSQL-WCBMZHEXSA-N 0 0 338.713 3.164 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CCC3)[C@H]3CCOC3)c2c1 ZINC000866143733 1330070109 /nfs/dbraw/zinc/07/01/09/1330070109.db2.gz MNCJENUZXQGRCL-BLLLJJGKSA-N 0 0 328.372 3.155 10 5 EGBERN COc1cc(N2CC[C@H]3CSC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000866199224 1330077382 /nfs/dbraw/zinc/07/73/82/1330077382.db2.gz ARIJIHPATPLSHX-UWVGGRQHSA-N 0 0 328.821 3.446 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CSC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000866199688 1330077624 /nfs/dbraw/zinc/07/76/24/1330077624.db2.gz CQGGLPUPJDLHLR-BDAKNGLRSA-N 0 0 333.335 3.198 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402169 1330107202 /nfs/dbraw/zinc/10/72/02/1330107202.db2.gz ICCSLSUEPNKWMG-CZUORRHYSA-N 0 0 346.456 3.151 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868479875 1330284466 /nfs/dbraw/zinc/28/44/66/1330284466.db2.gz LYKGEHWIHOSDIZ-HZPDHXFCSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000868705242 1330319372 /nfs/dbraw/zinc/31/93/72/1330319372.db2.gz AXDQOTNRJAQUDR-SECBINFHSA-N 0 0 333.310 3.291 10 5 EGBERN Cc1ccc(CNC(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000869054038 1330403915 /nfs/dbraw/zinc/40/39/15/1330403915.db2.gz DXSZNEJTLZRXIE-TXEJJXNPSA-N 0 0 341.358 3.336 10 5 EGBERN Cc1ccc(CNC(=O)N2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000869055096 1330404775 /nfs/dbraw/zinc/40/47/75/1330404775.db2.gz PUZBWSYCFXRQOY-CQSZACIVSA-N 0 0 347.415 3.004 10 5 EGBERN CSc1cccc(C(=O)NCC[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000869600028 1330530843 /nfs/dbraw/zinc/53/08/43/1330530843.db2.gz ATMUPZBVAZVALH-JTQLQIEISA-N 0 0 326.443 3.190 10 5 EGBERN CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000869788719 1330564146 /nfs/dbraw/zinc/56/41/46/1330564146.db2.gz BXHZCGJAYNSDIZ-INIZCTEOSA-N 0 0 332.331 3.479 10 5 EGBERN O=C(OCC[C@@H]1CCCC1=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811002 1330569090 /nfs/dbraw/zinc/56/90/90/1330569090.db2.gz MOTCGRKHGCRBHK-ZDUSSCGKSA-N 0 0 331.368 3.319 10 5 EGBERN Cc1nnc([C@@H](C)OC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000869811736 1330569488 /nfs/dbraw/zinc/56/94/88/1330569488.db2.gz USHRBPIFBLGCJQ-SNVBAGLBSA-N 0 0 347.396 3.481 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000869824407 1330571140 /nfs/dbraw/zinc/57/11/40/1330571140.db2.gz PRQKLYAFADZDJJ-VKBZYEAPSA-N 0 0 344.411 3.006 10 5 EGBERN C[C@H](OC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000869855458 1330577308 /nfs/dbraw/zinc/57/73/08/1330577308.db2.gz OFBAWKJZWBQZAS-NEPJUHHUSA-N 0 0 329.356 3.292 10 5 EGBERN C=Cc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001184647610 1387502811 /nfs/dbraw/zinc/50/28/11/1387502811.db2.gz GVSANVAMDPMQPU-UHFFFAOYSA-N 0 0 335.337 3.014 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001324491362 1387644835 /nfs/dbraw/zinc/64/48/35/1387644835.db2.gz VYPVDKVPAFAAFY-UHFFFAOYSA-N 0 0 333.262 3.249 10 5 EGBERN O=c1[nH]ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001185395105 1387704299 /nfs/dbraw/zinc/70/42/99/1387704299.db2.gz ZSNOIZGYJRNFJM-NSHDSACASA-N 0 0 344.154 3.148 10 5 EGBERN CN(C)c1nccc2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc21 ZINC001324755723 1387760618 /nfs/dbraw/zinc/76/06/18/1387760618.db2.gz PIJNKIQYGPAYHC-UHFFFAOYSA-N 0 0 330.388 3.075 10 5 EGBERN CC1(C)OC[C@@H](CCOc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)O1 ZINC001189668298 1367082490 /nfs/dbraw/zinc/08/24/90/1367082490.db2.gz UOQZUBWGPZOLGR-ZCFIWIBFSA-N 0 0 339.241 3.072 10 5 EGBERN C=Cc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001190587937 1367300353 /nfs/dbraw/zinc/30/03/53/1367300353.db2.gz XPGVPZZFBOEHAW-UHFFFAOYSA-N 0 0 346.408 3.067 10 5 EGBERN COC(=O)c1cnc(N(C)CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001186397272 1387933750 /nfs/dbraw/zinc/93/37/50/1387933750.db2.gz PNWPLHNXLYJGOQ-UHFFFAOYSA-N 0 0 349.774 3.109 10 5 EGBERN CCON(Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001195188171 1368396505 /nfs/dbraw/zinc/39/65/05/1368396505.db2.gz PNLYHCYNGXVQGJ-AWEZNQCLSA-N 0 0 343.383 3.376 10 5 EGBERN C[C@@H]1Cc2cccc(F)c2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001197124108 1368749123 /nfs/dbraw/zinc/74/91/23/1368749123.db2.gz BBSSTZVOJGZURD-SJKOYZFVSA-N 0 0 330.359 3.466 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2ccc(N(C)C)nc2)n1 ZINC001325467492 1387984612 /nfs/dbraw/zinc/98/46/12/1387984612.db2.gz BYXVEFZTWFDENA-UHFFFAOYSA-N 0 0 339.355 3.390 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC001186610717 1387986209 /nfs/dbraw/zinc/98/62/09/1387986209.db2.gz AOVKDKWDSBLPIW-UHFFFAOYSA-N 0 0 341.795 3.304 10 5 EGBERN CCCN1C[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1=O ZINC001186746851 1388003669 /nfs/dbraw/zinc/00/36/69/1388003669.db2.gz CTZOGJXUAXVWQW-JTQLQIEISA-N 0 0 345.321 3.284 10 5 EGBERN CCOc1cc(N(C)C[C@]2(O)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001186789479 1388009350 /nfs/dbraw/zinc/00/93/50/1388009350.db2.gz CPFRUPZVWCZKHP-LJQANCHMSA-N 0 0 342.395 3.264 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCc2cccnc21 ZINC001186865171 1388018073 /nfs/dbraw/zinc/01/80/73/1388018073.db2.gz XDHHMLQZSQCZBF-CYBMUJFWSA-N 0 0 341.367 3.227 10 5 EGBERN Cc1cc(Nc2ccc3[nH]c(C(N)=O)cc3c2)c(F)cc1[N+](=O)[O-] ZINC001187256941 1388082456 /nfs/dbraw/zinc/08/24/56/1388082456.db2.gz UJUITPDNHCEHFJ-UHFFFAOYSA-N 0 0 328.303 3.366 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001117296572 1371034779 /nfs/dbraw/zinc/03/47/79/1371034779.db2.gz GYGAPXUZFSLHNR-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN CC1(C)C[C@@]1(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001187479835 1388114874 /nfs/dbraw/zinc/11/48/74/1388114874.db2.gz UUKUBEKZIGVOJQ-AWEZNQCLSA-N 0 0 348.371 3.439 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001118305472 1371161531 /nfs/dbraw/zinc/16/15/31/1371161531.db2.gz RHRLWJZQOPUZCD-KRWDZBQOSA-N 0 0 347.802 3.440 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc([C@H]3CCCO3)o2)ccc1OC(F)F ZINC001118376637 1371168880 /nfs/dbraw/zinc/16/88/80/1371168880.db2.gz NPQGSXORYPFYNE-SNVBAGLBSA-N 0 0 327.243 3.098 10 5 EGBERN COC(=O)c1cc(NC2CC3(CC3(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC001118535573 1371194203 /nfs/dbraw/zinc/19/42/03/1371194203.db2.gz HUMRTZGDJCILQK-UHFFFAOYSA-N 0 0 326.299 3.290 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118868753 1371243558 /nfs/dbraw/zinc/24/35/58/1371243558.db2.gz PSTYSKNCQDJGLK-NMSKTSORSA-N 0 0 336.779 3.415 10 5 EGBERN O=[N+]([O-])c1cccc2c(NC[C@@H]3CC4(CO3)CCOCC4)ccnc21 ZINC001118991909 1371262431 /nfs/dbraw/zinc/26/24/31/1371262431.db2.gz SFZISXKPNJJVGO-ZDUSSCGKSA-N 0 0 343.383 3.141 10 5 EGBERN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C12CC(C(F)(F)F)(C1)C2 ZINC001326180194 1388125314 /nfs/dbraw/zinc/12/53/14/1388125314.db2.gz KDPLQXDIMBPXQL-UHFFFAOYSA-N 0 0 340.301 3.212 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCC3(C4(O)CCC4)CCC3)c21 ZINC001187586684 1388127894 /nfs/dbraw/zinc/12/78/94/1388127894.db2.gz REIUBCHRJAHHFM-UHFFFAOYSA-N 0 0 328.372 3.035 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(Nc3cnn(C4CCC4)c3)cc2N1 ZINC001187739600 1388153641 /nfs/dbraw/zinc/15/36/41/1388153641.db2.gz BFFXNSRTZQMHHO-UHFFFAOYSA-N 0 0 327.344 3.145 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CC[C@H](C2CC2)O1 ZINC001187757036 1388156296 /nfs/dbraw/zinc/15/62/96/1388156296.db2.gz DRVPKSSYSWTSIC-MLGOLLRUSA-N 0 0 331.347 3.074 10 5 EGBERN CC(C)(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)n1ccnc1 ZINC001123051485 1372369642 /nfs/dbraw/zinc/36/96/42/1372369642.db2.gz WEUSHKGQXPJTGZ-UHFFFAOYSA-N 0 0 349.362 3.187 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)CCO1 ZINC001123331433 1372429146 /nfs/dbraw/zinc/42/91/46/1372429146.db2.gz BIGUCUVROIGJSH-VXGBXAGGSA-N 0 0 344.371 3.174 10 5 EGBERN COc1cccc(C(=O)OC[C@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC001123376709 1372447253 /nfs/dbraw/zinc/44/72/53/1372447253.db2.gz SIMLRZZXBRJFJT-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001123380496 1372448170 /nfs/dbraw/zinc/44/81/70/1372448170.db2.gz XNKWAAKMZLYNRM-ZWNOBZJWSA-N 0 0 339.779 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(C)(C)C)CC2)c1C ZINC001124087563 1372670758 /nfs/dbraw/zinc/67/07/58/1372670758.db2.gz FBRBSGXWHJFIRK-HNNXBMFYSA-N 0 0 334.416 3.489 10 5 EGBERN CCn1ncnc1-c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001124334150 1372692649 /nfs/dbraw/zinc/69/26/49/1372692649.db2.gz RQYGCNAYPKJHEG-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c1OCCCO2 ZINC001124396545 1372698505 /nfs/dbraw/zinc/69/85/05/1372698505.db2.gz ORPNGZACGLYSSM-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(Br)co1 ZINC001125406864 1372783137 /nfs/dbraw/zinc/78/31/37/1372783137.db2.gz JPRGQBUCBPVPDQ-UHFFFAOYSA-N 0 0 329.081 3.342 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](COCC(C)C)c2ccco2)n1 ZINC001125767316 1372852650 /nfs/dbraw/zinc/85/26/50/1372852650.db2.gz CAFWPIIBZMGGMH-HNNXBMFYSA-N 0 0 347.371 3.035 10 5 EGBERN COc1cc(C)cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001125876624 1372879507 /nfs/dbraw/zinc/87/95/07/1372879507.db2.gz OVPZODOYTBOSRO-UHFFFAOYSA-N 0 0 344.367 3.029 10 5 EGBERN Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c1 ZINC001126054344 1372921855 /nfs/dbraw/zinc/92/18/55/1372921855.db2.gz BXXPVCJHNJWTII-ZDUSSCGKSA-N 0 0 327.384 3.276 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOc2ccccc21 ZINC001126076059 1372927869 /nfs/dbraw/zinc/92/78/69/1372927869.db2.gz MLSJGOLSWBYFBD-GFCCVEGCSA-N 0 0 344.342 3.338 10 5 EGBERN CC(C)(NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001126173603 1372945537 /nfs/dbraw/zinc/94/55/37/1372945537.db2.gz HOVITPCNMKPFRD-UHFFFAOYSA-N 0 0 334.322 3.467 10 5 EGBERN COC(=O)Nc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001126249038 1372952531 /nfs/dbraw/zinc/95/25/31/1372952531.db2.gz DJSZYCKSJVPTCZ-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN O=C(c1cc(Br)co1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126612917 1372983772 /nfs/dbraw/zinc/98/37/72/1372983772.db2.gz YUVDMIIFKDKFOG-UHFFFAOYSA-N 0 0 337.129 3.106 10 5 EGBERN CCOc1cccc(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001126940017 1373054168 /nfs/dbraw/zinc/05/41/68/1373054168.db2.gz HSAWHXROVNFKKY-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](c2ccccc2)C(F)(F)F)n1 ZINC001127081496 1373082623 /nfs/dbraw/zinc/08/26/23/1373082623.db2.gz VDTFOLZKXSVRRD-GFCCVEGCSA-N 0 0 343.261 3.272 10 5 EGBERN C/C(=C/c1ccncc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127126868 1373092033 /nfs/dbraw/zinc/09/20/33/1373092033.db2.gz GWIGAMDSHPMKDE-FLIBITNWSA-N 0 0 331.759 3.363 10 5 EGBERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001127430731 1373126456 /nfs/dbraw/zinc/12/64/56/1373126456.db2.gz CDFFIPRFKQELJU-APHBMKBZSA-N 0 0 346.427 3.192 10 5 EGBERN Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1F ZINC001127516088 1373133535 /nfs/dbraw/zinc/13/35/35/1373133535.db2.gz CBVCZRZQAPHCSQ-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCCCC1 ZINC001127574921 1373141732 /nfs/dbraw/zinc/14/17/32/1373141732.db2.gz AAWHUDQJWJSEJD-UHFFFAOYSA-N 0 0 348.399 3.456 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C ZINC001127682156 1373160154 /nfs/dbraw/zinc/16/01/54/1373160154.db2.gz YOACAJQGSYULRT-BFQNTYOBSA-N 0 0 344.371 3.157 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1cc(C)ccc1C ZINC001127720756 1373167727 /nfs/dbraw/zinc/16/77/27/1373167727.db2.gz UISUIMITCHJDMH-CYBMUJFWSA-N 0 0 331.372 3.411 10 5 EGBERN CC1(C)Cc2cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC001127728617 1373169223 /nfs/dbraw/zinc/16/92/23/1373169223.db2.gz DLIBOBRRDWLUAS-UHFFFAOYSA-N 0 0 340.379 3.281 10 5 EGBERN CC[C@@H](OC(=O)c1ccc2c(n1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001127733340 1373170287 /nfs/dbraw/zinc/17/02/87/1373170287.db2.gz SOYQXXAXEWCGNP-CQSZACIVSA-N 0 0 344.323 3.069 10 5 EGBERN O=C(Nc1cc2c(cc1Cl)OCO2)c1c(F)cccc1[N+](=O)[O-] ZINC001127734370 1373170292 /nfs/dbraw/zinc/17/02/92/1373170292.db2.gz ALOCSTHBGMDMJN-UHFFFAOYSA-N 0 0 338.678 3.368 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1Cc2ccccc2C1 ZINC001127808596 1373185122 /nfs/dbraw/zinc/18/51/22/1373185122.db2.gz JNXMCVALNVMXBA-UHFFFAOYSA-N 0 0 328.393 3.214 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC001127915877 1373199502 /nfs/dbraw/zinc/19/95/02/1373199502.db2.gz XPJZCRQXIPYJDO-GFCCVEGCSA-N 0 0 343.335 3.399 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nccc2occc21 ZINC001128294843 1373247774 /nfs/dbraw/zinc/24/77/74/1373247774.db2.gz CVONKOSNMBMKQV-UHFFFAOYSA-N 0 0 325.324 3.051 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCCC1 ZINC001128865845 1373318982 /nfs/dbraw/zinc/31/89/82/1373318982.db2.gz DPUCALUDSVYHTC-CQSZACIVSA-N 0 0 337.395 3.499 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001128881758 1373320772 /nfs/dbraw/zinc/32/07/72/1373320772.db2.gz QMKYQXANDGYXOG-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN COc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC001128896109 1373322391 /nfs/dbraw/zinc/32/23/91/1373322391.db2.gz KTFSEYGBALPHLC-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN Cc1ccn2cnc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)c2c1 ZINC001128951783 1373326996 /nfs/dbraw/zinc/32/69/96/1373326996.db2.gz RZLHFPFSWBQWSK-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001129081743 1373343950 /nfs/dbraw/zinc/34/39/50/1373343950.db2.gz FXPUPAWFTWWBHD-UHFFFAOYSA-N 0 0 330.340 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)CCCC3=O)n1 ZINC001129358404 1373374965 /nfs/dbraw/zinc/37/49/65/1373374965.db2.gz IVVQTIRQLBCMGB-UHFFFAOYSA-N 0 0 325.324 3.070 10 5 EGBERN C[C@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001129498143 1373391325 /nfs/dbraw/zinc/39/13/25/1373391325.db2.gz GJHAWAAHZSCLST-GTNSWQLSSA-N 0 0 334.372 3.065 10 5 EGBERN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001129580559 1373399756 /nfs/dbraw/zinc/39/97/56/1373399756.db2.gz QJCCBSWJEPPDED-JTQLQIEISA-N 0 0 335.360 3.098 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C(=O)OC)o1 ZINC001129601591 1373401545 /nfs/dbraw/zinc/40/15/45/1373401545.db2.gz WMIHKRBYYVAELN-UHFFFAOYSA-N 0 0 332.312 3.098 10 5 EGBERN COCc1ccccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001129645058 1373407401 /nfs/dbraw/zinc/40/74/01/1373407401.db2.gz JDYRULVNCLZSEM-UHFFFAOYSA-N 0 0 331.324 3.034 10 5 EGBERN COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001129646355 1373407410 /nfs/dbraw/zinc/40/74/10/1373407410.db2.gz INYIQZZRCMMCJC-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001130318848 1373492347 /nfs/dbraw/zinc/49/23/47/1373492347.db2.gz UOPUXFLTFGYZQT-HZPDHXFCSA-N 0 0 336.363 3.120 10 5 EGBERN Cc1cnnn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001130336492 1373496684 /nfs/dbraw/zinc/49/66/84/1373496684.db2.gz RRWSARUTZUOUAC-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(F)cc(C(=O)N2Cc3cc(F)c(F)cc3C2)c1[N+](=O)[O-] ZINC001130419857 1373530667 /nfs/dbraw/zinc/53/06/67/1373530667.db2.gz GWOAHAQJZXVWMF-UHFFFAOYSA-N 0 0 336.269 3.477 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1ccn2C(F)F ZINC001130829794 1373595882 /nfs/dbraw/zinc/59/58/82/1373595882.db2.gz AZVWLSGFWGDGFI-UHFFFAOYSA-N 0 0 349.297 3.170 10 5 EGBERN O=C(c1ncc2ccccn21)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001130837362 1373597539 /nfs/dbraw/zinc/59/75/39/1373597539.db2.gz OIIBVHTZZSPFFO-UHFFFAOYSA-N 0 0 336.351 3.226 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 ZINC001130850372 1373598366 /nfs/dbraw/zinc/59/83/66/1373598366.db2.gz UYKWGMTZWCIHLF-CABCVRRESA-N 0 0 328.280 3.212 10 5 EGBERN COc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC001130869400 1373599974 /nfs/dbraw/zinc/59/99/74/1373599974.db2.gz KBAOIMKJYKNQAD-SNVBAGLBSA-N 0 0 333.369 3.118 10 5 EGBERN C[C@H]1C[C@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC001130956789 1373615666 /nfs/dbraw/zinc/61/56/66/1373615666.db2.gz HCUKRFICQOMNDW-CMPLNLGQSA-N 0 0 327.340 3.087 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cncnc1C1CC1 ZINC001130957403 1373615875 /nfs/dbraw/zinc/61/58/75/1373615875.db2.gz VFJAJVBOROJJEO-UHFFFAOYSA-N 0 0 335.323 3.063 10 5 EGBERN Cc1ccncc1/C=C\C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130960146 1373616713 /nfs/dbraw/zinc/61/67/13/1373616713.db2.gz UWQQEAIDPMSPNI-WAYWQWQTSA-N 0 0 334.335 3.498 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc2c(c1)CCOC2 ZINC001131250916 1373669502 /nfs/dbraw/zinc/66/95/02/1373669502.db2.gz MWCMMVRTXLSGTO-UHFFFAOYSA-N 0 0 349.346 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C(F)F)C2CCCCC2)n1 ZINC001131426490 1373695557 /nfs/dbraw/zinc/69/55/57/1373695557.db2.gz SDDWNAJICKLXFF-ZDUSSCGKSA-N 0 0 327.331 3.242 10 5 EGBERN O=C(NC1CCC(C2CCC2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001131452433 1373701014 /nfs/dbraw/zinc/70/10/14/1373701014.db2.gz ACCQOFLEPNYAIW-UHFFFAOYSA-N 0 0 346.383 3.412 10 5 EGBERN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001131654193 1373746376 /nfs/dbraw/zinc/74/63/76/1373746376.db2.gz LFADEVNRJWMYHV-YJBOKZPZSA-N 0 0 348.399 3.009 10 5 EGBERN Cc1cc(OCC(=O)Nc2ncc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC001131695129 1373767546 /nfs/dbraw/zinc/76/75/46/1373767546.db2.gz PNFJDZMULZWJBY-UHFFFAOYSA-N 0 0 339.710 3.108 10 5 EGBERN CCC(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001131856924 1373845629 /nfs/dbraw/zinc/84/56/29/1373845629.db2.gz GDOAYBJEBRJCAO-UHFFFAOYSA-N 0 0 328.324 3.205 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CCCC3(CCC3)O2)c1 ZINC001188627975 1388347583 /nfs/dbraw/zinc/34/75/83/1388347583.db2.gz RLNAGDNFALWZSZ-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN COc1ccc(-c2nnc(-c3cc(F)cc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC001326930239 1388354191 /nfs/dbraw/zinc/35/41/91/1388354191.db2.gz GHLZMZSVAADHAQ-UHFFFAOYSA-N 0 0 345.286 3.468 10 5 EGBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1[N+](=O)[O-] ZINC001132418412 1375366635 /nfs/dbraw/zinc/36/66/35/1375366635.db2.gz GWOWKXLLEXAPCX-UHFFFAOYSA-N 0 0 347.302 3.189 10 5 EGBERN O=C(Nc1cccc2nccnc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001132558813 1375466679 /nfs/dbraw/zinc/46/66/79/1375466679.db2.gz VUKJMSINGOQAQZ-ZIAGYGMSSA-N 0 0 334.335 3.280 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC001132637871 1375493190 /nfs/dbraw/zinc/49/31/90/1375493190.db2.gz YKIMUIOHBZARGL-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cccc(C)c1Cl ZINC001132750479 1375546323 /nfs/dbraw/zinc/54/63/23/1375546323.db2.gz NNSYLDJOINLWRM-UHFFFAOYSA-N 0 0 335.747 3.141 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCc1cc(Cl)cs1 ZINC001132959783 1375674135 /nfs/dbraw/zinc/67/41/35/1375674135.db2.gz JPFRUWTXGGVTLG-UHFFFAOYSA-N 0 0 341.776 3.285 10 5 EGBERN CC1(C)C[C@]1(C)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001133223690 1375852242 /nfs/dbraw/zinc/85/22/42/1375852242.db2.gz BIKRWXKIUMXJAC-GOSISDBHSA-N 0 0 342.399 3.006 10 5 EGBERN Cc1coc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001133466543 1376025618 /nfs/dbraw/zinc/02/56/18/1376025618.db2.gz NTLGZYPVOCLBPX-UHFFFAOYSA-N 0 0 345.286 3.178 10 5 EGBERN CC(C)[C@@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001133512214 1376049900 /nfs/dbraw/zinc/04/99/00/1376049900.db2.gz MHJBLVAWEILIJM-GOSISDBHSA-N 0 0 342.395 3.357 10 5 EGBERN COc1ccc(C(=O)NCC2(SC)CCCCC2)cc1[N+](=O)[O-] ZINC001133605695 1376115938 /nfs/dbraw/zinc/11/59/38/1376115938.db2.gz SFENERTZZZODNQ-UHFFFAOYSA-N 0 0 338.429 3.399 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001133655059 1376140472 /nfs/dbraw/zinc/14/04/72/1376140472.db2.gz YVLIWOZYDCTBAG-SNVBAGLBSA-N 0 0 345.330 3.183 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001327187546 1388429335 /nfs/dbraw/zinc/42/93/35/1388429335.db2.gz LLMFOSJCQIFWKW-GOSISDBHSA-N 0 0 343.358 3.347 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CCC=CCC1 ZINC001133986019 1376297874 /nfs/dbraw/zinc/29/78/74/1376297874.db2.gz JSXGEJSXSLLFHR-UHFFFAOYSA-N 0 0 327.384 3.412 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327195483 1388436718 /nfs/dbraw/zinc/43/67/18/1388436718.db2.gz YGPWYSUAFWGWJO-GRYCIOLGSA-N 0 0 341.310 3.198 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC001134137198 1376385035 /nfs/dbraw/zinc/38/50/35/1376385035.db2.gz GAMSVFGKLHSBAP-SECBINFHSA-N 0 0 347.758 3.089 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2ccc3c(c2)CCO3)n1 ZINC001134346287 1376488307 /nfs/dbraw/zinc/48/83/07/1376488307.db2.gz BCNCMQVXWHNZPJ-NSHDSACASA-N 0 0 328.324 3.151 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc2C1 ZINC001134454733 1376547467 /nfs/dbraw/zinc/54/74/67/1376547467.db2.gz DHZFYXCLRJIKPD-KRWDZBQOSA-N 0 0 342.370 3.340 10 5 EGBERN Cc1ccnc(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)n1 ZINC001134649962 1376641619 /nfs/dbraw/zinc/64/16/19/1376641619.db2.gz SYCXAQZIYHLFJU-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC001134796758 1376728143 /nfs/dbraw/zinc/72/81/43/1376728143.db2.gz QURPRHFJVBSDDC-UHFFFAOYSA-N 0 0 329.356 3.305 10 5 EGBERN Cc1sc(NC(=O)c2csc([N+](=O)[O-])c2)nc1Br ZINC001135053063 1376869263 /nfs/dbraw/zinc/86/92/63/1376869263.db2.gz OGWJCFFKAVVGCR-UHFFFAOYSA-N 0 0 348.203 3.436 10 5 EGBERN Cc1ccc(-n2cc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)nn2)cc1 ZINC001135144940 1376933053 /nfs/dbraw/zinc/93/30/53/1376933053.db2.gz DEFMXHYUVRDFDN-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001135296684 1377025257 /nfs/dbraw/zinc/02/52/57/1377025257.db2.gz CZUSFZSAEVCSOM-RNCFNFMXSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(NC2CC2)n1 ZINC001136172005 1377360065 /nfs/dbraw/zinc/36/00/65/1377360065.db2.gz LNGYFBIKOBLZBA-UHFFFAOYSA-N 0 0 340.383 3.145 10 5 EGBERN O=C(/C=C/CCc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001136202301 1377363443 /nfs/dbraw/zinc/36/34/43/1377363443.db2.gz NMZFZOZXSNAIHF-WEVVVXLNSA-N 0 0 339.395 3.312 10 5 EGBERN Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[nH]c1C ZINC001137260354 1377505655 /nfs/dbraw/zinc/50/56/55/1377505655.db2.gz DZJBQIGITOXWTF-UHFFFAOYSA-N 0 0 348.428 3.365 10 5 EGBERN CCCc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(=O)[nH]1 ZINC001137530786 1377561939 /nfs/dbraw/zinc/56/19/39/1377561939.db2.gz LIDMKVZXJSOESJ-UHFFFAOYSA-N 0 0 349.774 3.231 10 5 EGBERN Nc1c(F)cc(F)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137956945 1377653450 /nfs/dbraw/zinc/65/34/50/1377653450.db2.gz JCTXPXGOLZUBGP-UHFFFAOYSA-N 0 0 347.321 3.260 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc2c(c1)CCC2 ZINC001137977939 1377657321 /nfs/dbraw/zinc/65/73/21/1377657321.db2.gz QLUSTKFQGUICQN-LLVKDONJSA-N 0 0 325.368 3.157 10 5 EGBERN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001138084504 1377674689 /nfs/dbraw/zinc/67/46/89/1377674689.db2.gz CJYKNZCQWQJYKL-ZBEGNZNMSA-N 0 0 340.383 3.016 10 5 EGBERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001138084502 1377674752 /nfs/dbraw/zinc/67/47/52/1377674752.db2.gz CJYKNZCQWQJYKL-BZNIZROVSA-N 0 0 340.383 3.016 10 5 EGBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001139967073 1377985466 /nfs/dbraw/zinc/98/54/66/1377985466.db2.gz DXFVFRSPUUSZLB-MEBBXXQBSA-N 0 0 334.759 3.159 10 5 EGBERN CNc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc1[N+](=O)[O-] ZINC001140695630 1378116056 /nfs/dbraw/zinc/11/60/56/1378116056.db2.gz GKTAZVKYVWPPNZ-UHFFFAOYSA-N 0 0 338.323 3.143 10 5 EGBERN Nc1ccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC001140865814 1378163822 /nfs/dbraw/zinc/16/38/22/1378163822.db2.gz UGHWZZLYICGOHU-UHFFFAOYSA-N 0 0 345.786 3.336 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(c2cccnc2)CC1 ZINC001141425646 1378322962 /nfs/dbraw/zinc/32/29/62/1378322962.db2.gz VORIWQAWLHMOIR-UHFFFAOYSA-N 0 0 345.786 3.333 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2c(C)n[nH]c2C)c1 ZINC001141847251 1378384861 /nfs/dbraw/zinc/38/48/61/1378384861.db2.gz BNRJVWFGOQDQEM-MRVPVSSYSA-N 0 0 334.401 3.148 10 5 EGBERN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141910073 1378393100 /nfs/dbraw/zinc/39/31/00/1378393100.db2.gz PFZZYBPYXDYHGG-RDJZCZTQSA-N 0 0 328.372 3.149 10 5 EGBERN CCC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC001142033301 1378406975 /nfs/dbraw/zinc/40/69/75/1378406975.db2.gz FHSVSQBAASGFCV-CQSZACIVSA-N 0 0 342.399 3.479 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001142746157 1378483270 /nfs/dbraw/zinc/48/32/70/1378483270.db2.gz FTDCLXPGWRSFAI-BZPMIXESSA-N 0 0 334.420 3.010 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(C(F)(F)F)c1 ZINC001142844670 1378494672 /nfs/dbraw/zinc/49/46/72/1378494672.db2.gz VRTPVUGARXUVOT-UHFFFAOYSA-N 0 0 328.250 3.003 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001143093099 1378538559 /nfs/dbraw/zinc/53/85/59/1378538559.db2.gz MHJBXGHZOSHMJF-SUMWQHHRSA-N 0 0 329.331 3.460 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001146644704 1378886537 /nfs/dbraw/zinc/88/65/37/1378886537.db2.gz XUCBFZSNJLBIEY-UHFFFAOYSA-N 0 0 348.318 3.170 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC001147571852 1379045210 /nfs/dbraw/zinc/04/52/10/1379045210.db2.gz NGIZEFSJPCGGRV-UHFFFAOYSA-N 0 0 347.758 3.155 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001149138259 1379331477 /nfs/dbraw/zinc/33/14/77/1379331477.db2.gz PTTPFZODIGCHDP-HNNXBMFYSA-N 0 0 348.334 3.190 10 5 EGBERN Cc1ccc(F)c(N)c1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001151770762 1379776689 /nfs/dbraw/zinc/77/66/89/1379776689.db2.gz XYRDXSVEVKKNJY-UHFFFAOYSA-N 0 0 343.358 3.429 10 5 EGBERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)CCC2 ZINC001153422644 1380074977 /nfs/dbraw/zinc/07/49/77/1380074977.db2.gz QCPRSZHMYFVULF-AWEZNQCLSA-N 0 0 328.372 3.249 10 5 EGBERN CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001153464959 1380081285 /nfs/dbraw/zinc/08/12/85/1380081285.db2.gz JMPPOTLLURLLDJ-SFHVURJKSA-N 0 0 342.399 3.336 10 5 EGBERN CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001154239898 1380237870 /nfs/dbraw/zinc/23/78/70/1380237870.db2.gz ZKAWYYTUASUYLC-UHFFFAOYSA-N 0 0 349.416 3.030 10 5 EGBERN Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001154375315 1380267053 /nfs/dbraw/zinc/26/70/53/1380267053.db2.gz YUIRLKLIJUFHPT-UHFFFAOYSA-N 0 0 328.250 3.206 10 5 EGBERN C[C@@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC001154712336 1380337840 /nfs/dbraw/zinc/33/78/40/1380337840.db2.gz BCWLOYSTQCPBIQ-SNVBAGLBSA-N 0 0 344.758 3.387 10 5 EGBERN CC1(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC001154845110 1380363716 /nfs/dbraw/zinc/36/37/16/1380363716.db2.gz LYGGUZPIWVVNLD-UHFFFAOYSA-N 0 0 344.415 3.490 10 5 EGBERN CC[C@@H](C)[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154844824 1380364204 /nfs/dbraw/zinc/36/42/04/1380364204.db2.gz BFVMCEBEBNRJPH-NEPJUHHUSA-N 0 0 332.404 3.202 10 5 EGBERN CO/C(=C\c1ccccc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001155285178 1380433387 /nfs/dbraw/zinc/43/33/87/1380433387.db2.gz PPUDVGFWWBBRKT-JXAWBTAJSA-N 0 0 340.379 3.283 10 5 EGBERN C[C@H]1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155458690 1380456065 /nfs/dbraw/zinc/45/60/65/1380456065.db2.gz RBGCTFYJRRPWPM-AAEUAGOBSA-N 0 0 328.372 3.151 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001157523692 1380955675 /nfs/dbraw/zinc/95/56/75/1380955675.db2.gz FRWNDPDRYHEJJA-SECBINFHSA-N 0 0 336.779 3.067 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCCCCC2CC2)cc([N+](=O)[O-])c1 ZINC001287884225 1381394622 /nfs/dbraw/zinc/39/46/22/1381394622.db2.gz CHFMHAZZRFJFJC-UHFFFAOYSA-N 0 0 334.372 3.082 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001288212934 1381728486 /nfs/dbraw/zinc/72/84/86/1381728486.db2.gz QBZDIYXVQBFKJP-RKDXNWHRSA-N 0 0 347.293 3.306 10 5 EGBERN Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cnc1C ZINC001288321757 1381777188 /nfs/dbraw/zinc/77/71/88/1381777188.db2.gz AHKGFHCGORWLIX-UHFFFAOYSA-N 0 0 326.356 3.433 10 5 EGBERN CSC1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC001288895634 1381962229 /nfs/dbraw/zinc/96/22/29/1381962229.db2.gz FEPIRPQAXPWGNE-UHFFFAOYSA-N 0 0 340.420 3.459 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@H]2CC2CC2)cc1[N+](=O)[O-] ZINC001289168187 1381978522 /nfs/dbraw/zinc/97/85/22/1381978522.db2.gz WTOSKVNBFBCDJC-OAHLLOKOSA-N 0 0 332.400 3.359 10 5 EGBERN COc1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001289340165 1381993095 /nfs/dbraw/zinc/99/30/95/1381993095.db2.gz BZEAUELPSMTIKJ-NSHDSACASA-N 0 0 332.331 3.276 10 5 EGBERN CCNc1ccc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001289370651 1381995682 /nfs/dbraw/zinc/99/56/82/1381995682.db2.gz SQRLMLIVBKRTAU-OUFKLWKOSA-N 0 0 341.411 3.311 10 5 EGBERN Cc1ccc(NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001290429702 1382090944 /nfs/dbraw/zinc/09/09/44/1382090944.db2.gz CEDFOJPUKFOWFH-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1F ZINC001161259399 1382355846 /nfs/dbraw/zinc/35/58/46/1382355846.db2.gz CXUFFIFARHGIGW-SWLSCSKDSA-N 0 0 332.306 3.088 10 5 EGBERN O=C(Nc1nccc2ccncc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161280523 1382359345 /nfs/dbraw/zinc/35/93/45/1382359345.db2.gz PBSOKZRXQGIPGT-CABCVRRESA-N 0 0 334.335 3.280 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@H]2COC[C@H]21 ZINC001161629565 1382464555 /nfs/dbraw/zinc/46/45/55/1382464555.db2.gz UOCHYJZODWXFDR-BHYGNILZSA-N 0 0 346.427 3.047 10 5 EGBERN Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)c(F)cc1[N+](=O)[O-] ZINC001162126258 1382633476 /nfs/dbraw/zinc/63/34/76/1382633476.db2.gz INXQLQFSQNDGHA-UHFFFAOYSA-N 0 0 334.307 3.475 10 5 EGBERN O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1cc([N+](=O)[O-])ccc1F ZINC001296038365 1382901654 /nfs/dbraw/zinc/90/16/54/1382901654.db2.gz JQXABPABJZQEGS-UHFFFAOYSA-N 0 0 344.298 3.228 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC001296169699 1382912677 /nfs/dbraw/zinc/91/26/77/1382912677.db2.gz DKIIZTWDZAGCPE-YWVKMMECSA-N 0 0 334.401 3.154 10 5 EGBERN CN(CC1(O)CCCCCC1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163105884 1382966621 /nfs/dbraw/zinc/96/66/21/1382966621.db2.gz FTWXXPKYHFAROV-UHFFFAOYSA-N 0 0 333.432 3.390 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001296349674 1382972563 /nfs/dbraw/zinc/97/25/63/1382972563.db2.gz IUVFTIUQSCBESA-LSDHHAIUSA-N 0 0 342.351 3.441 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001163151395 1382978624 /nfs/dbraw/zinc/97/86/24/1382978624.db2.gz LBDDRRMTCTTWSI-SFHVURJKSA-N 0 0 344.342 3.457 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCO[C@@H]1CCCCO1 ZINC001163210842 1382993998 /nfs/dbraw/zinc/99/39/98/1382993998.db2.gz YDGBKIAMAQJIAN-MRXNPFEDSA-N 0 0 349.362 3.049 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)c2O1 ZINC001163355177 1383029141 /nfs/dbraw/zinc/02/91/41/1383029141.db2.gz RCKGIXPPGAEGIW-VIFPVBQESA-N 0 0 348.305 3.126 10 5 EGBERN O=C(Nc1cn[nH]n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001296613970 1383040468 /nfs/dbraw/zinc/04/04/68/1383040468.db2.gz SZUAGQUHGAJMFC-UHFFFAOYSA-N 0 0 341.352 3.116 10 5 EGBERN Cc1cscc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001297302993 1383139904 /nfs/dbraw/zinc/13/99/04/1383139904.db2.gz PECSSFORVNGANN-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3cc(C4CC4)ncn3)nc2c1 ZINC001164146659 1383160871 /nfs/dbraw/zinc/16/08/71/1383160871.db2.gz XUVGZNWXPYKSDN-UHFFFAOYSA-N 0 0 338.371 3.183 10 5 EGBERN CCc1noc([C@H]2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164284338 1383174472 /nfs/dbraw/zinc/17/44/72/1383174472.db2.gz YVYROKLQYXPOPL-UWVGGRQHSA-N 0 0 347.331 3.197 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(SCc2ccccc2F)s1 ZINC001164400835 1383184562 /nfs/dbraw/zinc/18/45/62/1383184562.db2.gz NMHUZUOUYGFZPU-UHFFFAOYSA-N 0 0 347.414 3.491 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOc2ccc3c(c2)OCO3)c(Cl)c1 ZINC001164579775 1383201387 /nfs/dbraw/zinc/20/13/87/1383201387.db2.gz YZJSKXXBKBSQJF-UHFFFAOYSA-N 0 0 337.715 3.435 10 5 EGBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298757690 1383426305 /nfs/dbraw/zinc/42/63/05/1383426305.db2.gz MPQCOUNHZZTNEI-INWMFGNUSA-N 0 0 334.416 3.301 10 5 EGBERN COCc1cc(O)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001299215594 1383488146 /nfs/dbraw/zinc/48/81/46/1383488146.db2.gz HPZYKYWXQVVNTF-UHFFFAOYSA-N 0 0 348.380 3.178 10 5 EGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCCCc1ccccc1 ZINC001166950481 1383503533 /nfs/dbraw/zinc/50/35/33/1383503533.db2.gz OOWJZZDMOOYMAC-UHFFFAOYSA-N 0 0 342.399 3.105 10 5 EGBERN Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c(-c2ccco2)n1 ZINC001167269035 1383580643 /nfs/dbraw/zinc/58/06/43/1383580643.db2.gz LAASRRXLTSFBAR-UHFFFAOYSA-N 0 0 346.730 3.494 10 5 EGBERN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001300206770 1383651909 /nfs/dbraw/zinc/65/19/09/1383651909.db2.gz QCAKYVAURAVWPH-XSCHDIRWSA-N 0 0 331.416 3.338 10 5 EGBERN CC[N@H+](CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001300337366 1383659891 /nfs/dbraw/zinc/65/98/91/1383659891.db2.gz HGHHSEMSIUADGI-UHFFFAOYSA-N 0 0 349.431 3.075 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001300499311 1383668138 /nfs/dbraw/zinc/66/81/38/1383668138.db2.gz LKJCFPUNICUHLA-KRWDZBQOSA-N 0 0 341.367 3.189 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001167676105 1383707372 /nfs/dbraw/zinc/70/73/72/1383707372.db2.gz ZBKWHHAEBOSKTD-UHFFFAOYSA-N 0 0 345.374 3.445 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cccc2n[nH]cc21 ZINC001301918234 1383736312 /nfs/dbraw/zinc/73/63/12/1383736312.db2.gz VBSDCWOOURVXMZ-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2c(O)cccc2C1 ZINC001302130991 1383742915 /nfs/dbraw/zinc/74/29/15/1383742915.db2.gz SQRHUBDTLINRAL-UHFFFAOYSA-N 0 0 332.743 3.152 10 5 EGBERN CCOC(=O)c1cc(C(=O)Nc2cc(O)ccc2C)cc([N+](=O)[O-])c1 ZINC001302436691 1383753806 /nfs/dbraw/zinc/75/38/06/1383753806.db2.gz BGZRLUKQVKOXDF-UHFFFAOYSA-N 0 0 344.323 3.038 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCOc2ccccc21 ZINC001304003481 1383820776 /nfs/dbraw/zinc/82/07/76/1383820776.db2.gz KTYITOZHQAHVTE-GOSISDBHSA-N 0 0 344.342 3.470 10 5 EGBERN O=C(OCc1ccnc(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001328849611 1388887363 /nfs/dbraw/zinc/88/73/63/1388887363.db2.gz XCHBWBCJHCKQCZ-UHFFFAOYSA-N 0 0 331.303 3.060 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2occc(=O)c2c1 ZINC001305914915 1383863546 /nfs/dbraw/zinc/86/35/46/1383863546.db2.gz LPCIGOIPMWSWET-UHFFFAOYSA-N 0 0 342.282 3.022 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cc(F)ccc1N(C)C ZINC001305984894 1383865917 /nfs/dbraw/zinc/86/59/17/1383865917.db2.gz NHDZPBSJTJVIEY-SNVBAGLBSA-N 0 0 349.337 3.430 10 5 EGBERN COC(=O)Cc1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001306915861 1383919728 /nfs/dbraw/zinc/91/97/28/1383919728.db2.gz NPUFEPHCLAOHGM-UHFFFAOYSA-N 0 0 332.331 3.104 10 5 EGBERN Cc1nc2c(c(NCCNc3ccccc3[N+](=O)[O-])n1)CCCC2 ZINC001306919484 1383920676 /nfs/dbraw/zinc/92/06/76/1383920676.db2.gz AXRRRAALHHMCIC-UHFFFAOYSA-N 0 0 327.388 3.096 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNc1ccccc1 ZINC001306973908 1383928630 /nfs/dbraw/zinc/92/86/30/1383928630.db2.gz BOIGBJFSCAPDEM-UHFFFAOYSA-N 0 0 329.356 3.214 10 5 EGBERN CN(Cc1ccc(N)nc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307089092 1383939121 /nfs/dbraw/zinc/93/91/21/1383939121.db2.gz NWWVODDXQYMGDQ-UHFFFAOYSA-N 0 0 326.278 3.227 10 5 EGBERN COC(=O)c1ccnc(Oc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC001307113879 1383942679 /nfs/dbraw/zinc/94/26/79/1383942679.db2.gz SESYPWPMLHSTSW-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN CC(C)COc1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC001307148646 1383945282 /nfs/dbraw/zinc/94/52/82/1383945282.db2.gz IWUYJQIWCDDSNZ-UHFFFAOYSA-N 0 0 328.328 3.465 10 5 EGBERN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001307150593 1383946085 /nfs/dbraw/zinc/94/60/85/1383946085.db2.gz MFKCJCAEBJZVAA-MNOVXSKESA-N 0 0 326.418 3.460 10 5 EGBERN NC(=O)c1cc2cc(Nc3nc4ccccc4cc3[N+](=O)[O-])ccc2[nH]1 ZINC001307183449 1383952534 /nfs/dbraw/zinc/95/25/34/1383952534.db2.gz ZPFOWRZCTFHOSI-UHFFFAOYSA-N 0 0 347.334 3.467 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC001307186848 1383952657 /nfs/dbraw/zinc/95/26/57/1383952657.db2.gz HSMLLJCIROXKBM-HSBHDXMMSA-N 0 0 336.413 3.336 10 5 EGBERN O=c1cc(CNc2ncc([N+](=O)[O-])cc2Cl)[nH]c2ccccc12 ZINC001307188111 1383953074 /nfs/dbraw/zinc/95/30/74/1383953074.db2.gz BZMZNAUFPUDFFW-UHFFFAOYSA-N 0 0 330.731 3.097 10 5 EGBERN O=C1C[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1CC1CC1 ZINC001307194296 1383954137 /nfs/dbraw/zinc/95/41/37/1383954137.db2.gz RWFYLCZPFZVKJA-VIFPVBQESA-N 0 0 344.198 3.324 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cccc2[nH]ccc21 ZINC001307193453 1383954179 /nfs/dbraw/zinc/95/41/79/1383954179.db2.gz BOZRAHCXPUCLKO-UHFFFAOYSA-N 0 0 339.277 3.441 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cnn(CC3CCC3)c2)c([N+](=O)[O-])c1 ZINC001307220308 1383959198 /nfs/dbraw/zinc/95/91/98/1383959198.db2.gz ODJCIMDGNCULJD-UHFFFAOYSA-N 0 0 331.332 3.112 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N[C@@H]3Cc4ccccc4[C@H]3O)sc2c1 ZINC001307230553 1383962120 /nfs/dbraw/zinc/96/21/20/1383962120.db2.gz WRUKZKOVGOHCSR-UKRRQHHQSA-N 0 0 327.365 3.275 10 5 EGBERN COC(=O)c1cccnc1COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001307407362 1383984561 /nfs/dbraw/zinc/98/45/61/1383984561.db2.gz KDEYUHGNVDFKGN-UHFFFAOYSA-N 0 0 340.694 3.148 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997787 1384071892 /nfs/dbraw/zinc/07/18/92/1384071892.db2.gz WBTZYOYLYKEVBP-ZWNOBZJWSA-N 0 0 343.221 3.357 10 5 EGBERN COC(=O)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001169024050 1384092420 /nfs/dbraw/zinc/09/24/20/1384092420.db2.gz JJSGZEZHDWAROJ-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN COc1nscc1CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001308106662 1384093864 /nfs/dbraw/zinc/09/38/64/1384093864.db2.gz URNNBCPNFWNZNC-UHFFFAOYSA-N 0 0 327.793 3.345 10 5 EGBERN O=C(/C=C\c1cccnc1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001169715313 1384177436 /nfs/dbraw/zinc/17/74/36/1384177436.db2.gz MMYPTCZBTGLQCB-ARJAWSKDSA-N 0 0 335.722 3.112 10 5 EGBERN C[C@@]1(CO)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC001175129924 1385199527 /nfs/dbraw/zinc/19/95/27/1385199527.db2.gz YEBFJPMAWURHOW-KRWDZBQOSA-N 0 0 348.786 3.398 10 5 EGBERN CC1(C)CC(C(=O)NCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001317549869 1385306374 /nfs/dbraw/zinc/30/63/74/1385306374.db2.gz KFKDUHDDQOVZFT-UHFFFAOYSA-N 0 0 345.443 3.112 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1C ZINC001176407399 1385577974 /nfs/dbraw/zinc/57/79/74/1385577974.db2.gz KMAHMYVTJATARK-UHFFFAOYSA-N 0 0 327.340 3.249 10 5 EGBERN C[C@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001176422955 1385582538 /nfs/dbraw/zinc/58/25/38/1385582538.db2.gz QRBSSWURFGBEDV-KRWDZBQOSA-N 0 0 343.339 3.291 10 5 EGBERN Cc1nc(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC001319062583 1385949938 /nfs/dbraw/zinc/94/99/38/1385949938.db2.gz PNZNDNXPVYNCDM-UHFFFAOYSA-N 0 0 333.413 3.262 10 5 EGBERN CN(CCN(C)C(=O)CC(C)(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001319995865 1386443325 /nfs/dbraw/zinc/44/33/25/1386443325.db2.gz UVMOGYPUXVNDPA-UHFFFAOYSA-N 0 0 347.459 3.311 10 5 EGBERN CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001179878619 1386616040 /nfs/dbraw/zinc/61/60/40/1386616040.db2.gz CAYCOOZXKVUDDF-UHFFFAOYSA-N 0 0 342.355 3.005 10 5 EGBERN Cc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)c(N)c1[N+](=O)[O-] ZINC001179879509 1386616323 /nfs/dbraw/zinc/61/63/23/1386616323.db2.gz MPMOFDITNCSNID-CYBMUJFWSA-N 0 0 333.388 3.163 10 5 EGBERN CN(C)c1ccc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001320862577 1386741591 /nfs/dbraw/zinc/74/15/91/1386741591.db2.gz JBYPGIYDCKDWET-UHFFFAOYSA-N 0 0 325.372 3.192 10 5 EGBERN Cc1cc(NC(=O)[C@@](C)(O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001181022728 1386917615 /nfs/dbraw/zinc/91/76/15/1386917615.db2.gz ZAYYTTFBALTLSM-SFHVURJKSA-N 0 0 328.368 3.226 10 5 EGBERN Cn1c2ccc(CN3Cc4ccc([N+](=O)[O-])cc4C3)cc2sc1=O ZINC001322404636 1387180431 /nfs/dbraw/zinc/18/04/31/1387180431.db2.gz PSHQWWRHDPWKPL-UHFFFAOYSA-N 0 0 341.392 3.024 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001329471641 1389120196 /nfs/dbraw/zinc/12/01/96/1389120196.db2.gz PWXZFJHOANWVLO-LLVKDONJSA-N 0 0 337.763 3.448 10 5 EGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC001331326769 1389703010 /nfs/dbraw/zinc/70/30/10/1389703010.db2.gz TZGSWICQGMBRRK-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001339018449 1389860927 /nfs/dbraw/zinc/86/09/27/1389860927.db2.gz LFNJLMXKXHNESK-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN Cn1ncc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC001331776584 1389870711 /nfs/dbraw/zinc/87/07/11/1389870711.db2.gz WYVIKJJMJDRGLK-UHFFFAOYSA-N 0 0 343.387 3.263 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC001332153099 1390009202 /nfs/dbraw/zinc/00/92/02/1390009202.db2.gz IIXBBGUKKTUTGP-AWEZNQCLSA-N 0 0 340.383 3.051 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001333720865 1390383170 /nfs/dbraw/zinc/38/31/70/1390383170.db2.gz FRPRCRZDJJNXDQ-PRJMDXOYSA-N 0 0 348.147 3.020 10 5 EGBERN Cc1cccc(NC[C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)n1 ZINC001340939291 1390409345 /nfs/dbraw/zinc/40/93/45/1390409345.db2.gz GKVAGZYYTXRAFW-AWEZNQCLSA-N 0 0 332.429 3.436 10 5 EGBERN COc1cccc2cc(CNc3ccc4ncc([N+](=O)[O-])n4n3)oc21 ZINC001341473157 1390491325 /nfs/dbraw/zinc/49/13/25/1390491325.db2.gz HFEUUQONUPSSQS-UHFFFAOYSA-N 0 0 339.311 3.004 10 5 EGBERN CC1(C)CO[C@H](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334743945 1390578730 /nfs/dbraw/zinc/57/87/30/1390578730.db2.gz BAAFAJVNITVDQJ-CYBMUJFWSA-N 0 0 340.807 3.112 10 5 EGBERN C[C@@H](OC1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001335030687 1390632593 /nfs/dbraw/zinc/63/25/93/1390632593.db2.gz XBYIVGKAKXIPGT-SNVBAGLBSA-N 0 0 342.342 3.227 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2CCOC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001344345131 1390785198 /nfs/dbraw/zinc/78/51/98/1390785198.db2.gz ZKEPBERYZVUKKQ-DZGCQCFKSA-N 0 0 337.372 3.211 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OCC12CCC(C)(CC1)OC2 ZINC001345002612 1390829984 /nfs/dbraw/zinc/82/99/84/1390829984.db2.gz YDJYTWRHSVDQQJ-UHFFFAOYSA-N 0 0 335.356 3.110 10 5 EGBERN COCC1(NC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC001345097443 1390836861 /nfs/dbraw/zinc/83/68/61/1390836861.db2.gz YCJGPUOUJFVASH-UHFFFAOYSA-N 0 0 337.376 3.074 10 5 EGBERN Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001346065495 1390904663 /nfs/dbraw/zinc/90/46/63/1390904663.db2.gz MGFYLNSMQPJVPH-RDJZCZTQSA-N 0 0 347.415 3.146 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001346197079 1390914539 /nfs/dbraw/zinc/91/45/39/1390914539.db2.gz JSVHJHQXECUGKQ-ZDUSSCGKSA-N 0 0 330.340 3.394 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001346428363 1390936468 /nfs/dbraw/zinc/93/64/68/1390936468.db2.gz WOXJYPAKTQQRRY-IRXDYDNUSA-N 0 0 347.415 3.146 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC001347429846 1391074336 /nfs/dbraw/zinc/07/43/36/1391074336.db2.gz HOWVAWKGQRKDOZ-INIZCTEOSA-N 0 0 329.352 3.401 10 5 EGBERN COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC001347520297 1391087106 /nfs/dbraw/zinc/08/71/06/1391087106.db2.gz DEEKSFJMJULOOZ-GFCCVEGCSA-N 0 0 349.387 3.169 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2ccccc2)CC1 ZINC001347545161 1391090608 /nfs/dbraw/zinc/09/06/08/1391090608.db2.gz ICNKWKFKDLOZDJ-QGZVFWFLSA-N 0 0 344.342 3.338 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001347743047 1391118414 /nfs/dbraw/zinc/11/84/14/1391118414.db2.gz ONXGPICVLLCVLC-UPJWGTAASA-N 0 0 336.338 3.474 10 5 EGBERN CC1(C)C[C@@H](COC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001347982772 1391154705 /nfs/dbraw/zinc/15/47/05/1391154705.db2.gz SFILOIPURRPNEX-ZDUSSCGKSA-N 0 0 349.383 3.306 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC001348023880 1391161620 /nfs/dbraw/zinc/16/16/20/1391161620.db2.gz AUBOJNVIMIYLQT-PMPSAXMXSA-N 0 0 345.443 3.316 10 5 EGBERN C[C@H](c1ccc(Cl)cc1)N(C)c1nnc(C[N+](=O)[O-])n1CC1CC1 ZINC001348146568 1391179185 /nfs/dbraw/zinc/17/91/85/1391179185.db2.gz XQOLWBNVGRGGFI-LLVKDONJSA-N 0 0 349.822 3.316 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001348645031 1391247458 /nfs/dbraw/zinc/24/74/58/1391247458.db2.gz VJUOWOCGBDPISN-AWEZNQCLSA-N 0 0 338.791 3.327 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1CCc2cccnc21 ZINC001348988998 1391293165 /nfs/dbraw/zinc/29/31/65/1391293165.db2.gz BNQATHBAYIIDOR-AWEZNQCLSA-N 0 0 344.342 3.335 10 5 EGBERN COc1cccc(C(F)(F)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001349119621 1391304350 /nfs/dbraw/zinc/30/43/50/1391304350.db2.gz TYBQLCWBWZOLGZ-UHFFFAOYSA-N 0 0 336.294 3.358 10 5 EGBERN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC001349254661 1391315268 /nfs/dbraw/zinc/31/52/68/1391315268.db2.gz QSWUDMNDJKXLTD-ZDUSSCGKSA-N 0 0 347.415 3.336 10 5 EGBERN Cc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001349321623 1391321009 /nfs/dbraw/zinc/32/10/09/1391321009.db2.gz KAVBKDCWSUCWHG-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN O=C(Cc1cscn1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001349440361 1391331015 /nfs/dbraw/zinc/33/10/15/1391331015.db2.gz QYYRSUKCPNKSQV-UHFFFAOYSA-N 0 0 346.393 3.356 10 5 EGBERN O=C(NC1([C@@H]2CCCO2)CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001349815963 1391370781 /nfs/dbraw/zinc/37/07/81/1391370781.db2.gz RIJJKGHABJYVPN-INIZCTEOSA-N 0 0 345.399 3.001 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001350038119 1391400887 /nfs/dbraw/zinc/40/08/87/1391400887.db2.gz QVNCQNYSJPITFT-NXEZZACHSA-N 0 0 346.305 3.253 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001350190163 1391427138 /nfs/dbraw/zinc/42/71/38/1391427138.db2.gz SLMJXPAZKRCOOP-GFCCVEGCSA-N 0 0 342.351 3.400 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001350261922 1391437926 /nfs/dbraw/zinc/43/79/26/1391437926.db2.gz CJXLWDYWDQGSBJ-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Oc1ccc2c(c1)OCO2 ZINC001350297702 1391443086 /nfs/dbraw/zinc/44/30/86/1391443086.db2.gz GRURMYFZDXFRFV-UHFFFAOYSA-N 0 0 333.271 3.001 10 5 EGBERN COc1ccc(NC(=O)c2cnc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC001350452034 1391467084 /nfs/dbraw/zinc/46/70/84/1391467084.db2.gz YWMDMEVGGSCQKY-UHFFFAOYSA-N 0 0 330.344 3.078 10 5 EGBERN Cc1cc(NC(=O)C2(C(F)(F)F)CCOCC2)cc([N+](=O)[O-])c1 ZINC001350942785 1391565075 /nfs/dbraw/zinc/56/50/75/1391565075.db2.gz VVDUUCARVIFJOS-UHFFFAOYSA-N 0 0 332.278 3.201 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1-c1nnc(NCc2occc2C)n1C ZINC001351167885 1391606763 /nfs/dbraw/zinc/60/67/63/1391606763.db2.gz RGJHZUZKCQJPSM-UHFFFAOYSA-N 0 0 341.371 3.466 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)C2 ZINC001351594589 1391654916 /nfs/dbraw/zinc/65/49/16/1391654916.db2.gz OBZBEBRDSKEJBQ-MRXNPFEDSA-N 0 0 341.363 3.452 10 5 EGBERN O=C(CCc1cccnc1Cl)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351888379 1391710765 /nfs/dbraw/zinc/71/07/65/1391710765.db2.gz WUZRDRMHUDJIGY-UHFFFAOYSA-N 0 0 341.701 3.493 10 5 EGBERN CCCOc1cc(NC(=O)[C@H]2C[C@@H]2F)c([N+](=O)[O-])cc1OCCC ZINC001352559828 1391813729 /nfs/dbraw/zinc/81/37/29/1391813729.db2.gz HYFPBSBXRXMYRL-QWRGUYRKSA-N 0 0 340.351 3.469 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001352649035 1391828386 /nfs/dbraw/zinc/82/83/86/1391828386.db2.gz ROEGWDQKELKDLG-MRXNPFEDSA-N 0 0 343.314 3.174 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001352765686 1391844655 /nfs/dbraw/zinc/84/46/55/1391844655.db2.gz ZWJOHNUDQWPWII-MSOLQXFVSA-N 0 0 341.363 3.428 10 5 EGBERN Cc1cnc2cc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)ccn12 ZINC001353255999 1391976193 /nfs/dbraw/zinc/97/61/93/1391976193.db2.gz WRIATKZGTNRKBK-LBPRGKRZSA-N 0 0 325.324 3.469 10 5 EGBERN Cc1ccn2cnc(C(=O)Oc3c(C)cc(C)cc3[N+](=O)[O-])c2c1 ZINC001353347798 1391993745 /nfs/dbraw/zinc/99/37/45/1391993745.db2.gz NFMMWZUEZSUNFM-UHFFFAOYSA-N 0 0 325.324 3.387 10 5 EGBERN CC(=O)NCc1cccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001353696481 1392071227 /nfs/dbraw/zinc/07/12/27/1392071227.db2.gz GWDNBLLUWHKNPN-LBPRGKRZSA-N 0 0 342.351 3.149 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 ZINC001353868231 1392103891 /nfs/dbraw/zinc/10/38/91/1392103891.db2.gz HDGIVTZGCGRYFY-UHFFFAOYSA-N 0 0 332.287 3.034 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Oc1ccc2c(c1)OCCO2 ZINC001354023931 1392115902 /nfs/dbraw/zinc/11/59/02/1392115902.db2.gz TYGLFYLRESOMSB-UHFFFAOYSA-N 0 0 329.308 3.202 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001354113710 1392121061 /nfs/dbraw/zinc/12/10/61/1392121061.db2.gz LPGJJMREHUAWTN-UHFFFAOYSA-N 0 0 349.730 3.395 10 5 EGBERN Cn1nc(-c2ccccc2)cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354839553 1392172131 /nfs/dbraw/zinc/17/21/31/1392172131.db2.gz BSWJQCOJLZOUPJ-UHFFFAOYSA-N 0 0 348.362 3.151 10 5 EGBERN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1F ZINC001355005537 1392184864 /nfs/dbraw/zinc/18/48/64/1392184864.db2.gz ZKHMRFNSVRLAHA-UHFFFAOYSA-N 0 0 349.274 3.211 10 5 EGBERN C[C@H](NC(=O)N1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])cc1 ZINC001479305380 1392208735 /nfs/dbraw/zinc/20/87/35/1392208735.db2.gz OORXSFHEWCNEFI-LBPRGKRZSA-N 0 0 327.340 3.313 10 5 EGBERN Cc1ccc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001480942636 1393036798 /nfs/dbraw/zinc/03/67/98/1393036798.db2.gz VDWDRTMQMNBABP-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC=CC1 ZINC001486364608 1396193688 /nfs/dbraw/zinc/19/36/88/1396193688.db2.gz VMVYMUGBQIUJAK-UHFFFAOYSA-N 0 0 345.443 3.230 10 5 EGBERN CC(C)CCCCC(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001692246055 1405870053 /nfs/dbraw/zinc/87/00/53/1405870053.db2.gz RNWQYFFHUGZMGO-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CN(CCN(C)C(=O)C(F)=C1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001732579784 1428784192 /nfs/dbraw/zinc/78/41/92/1428784192.db2.gz VFWPFOBQAOMPJQ-UHFFFAOYSA-N 0 0 349.406 3.283 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1C[C@H]1C ZINC001709038771 1417415797 /nfs/dbraw/zinc/41/57/97/1417415797.db2.gz VERZZMXTOJNFOV-OCCSQVGLSA-N 0 0 329.404 3.041 10 5 EGBERN CC/C=C/Cn1c(CC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001727868297 1427126884 /nfs/dbraw/zinc/12/68/84/1427126884.db2.gz VGBFDCBGLIENPE-AATRIKPKSA-N 0 0 341.415 3.278 10 5 EGBERN CSC1(Cn2c(C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001750256988 1440104955 /nfs/dbraw/zinc/10/49/55/1440104955.db2.gz ANHCKEUZJDQHRJ-UHFFFAOYSA-N 0 0 347.444 3.027 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001752221388 1440156502 /nfs/dbraw/zinc/15/65/02/1440156502.db2.gz YHYWLGCSBZSCEY-IPYPFGDCSA-N 0 0 341.415 3.356 10 5 EGBERN C[C@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001762965426 1441380804 /nfs/dbraw/zinc/38/08/04/1441380804.db2.gz DXSQBJWWRIVHNY-XUJVJEKNSA-N 0 0 327.388 3.280 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000368322251 168342524 /nfs/dbraw/zinc/34/25/24/168342524.db2.gz AQLKVNSRSZSIPF-QGZVFWFLSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000368492140 168363423 /nfs/dbraw/zinc/36/34/23/168363423.db2.gz MNQSALBSYJJWEU-GOSISDBHSA-N 0 0 325.368 3.227 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccc[nH]2)o1 ZINC000053611979 214191345 /nfs/dbraw/zinc/19/13/45/214191345.db2.gz AXXAKTZMRCXTDS-UHFFFAOYSA-N 0 0 332.341 3.144 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCSc2ccc(F)cc21 ZINC000368972859 168387172 /nfs/dbraw/zinc/38/71/72/168387172.db2.gz IAHFXVDGXQOXGJ-UHFFFAOYSA-N 0 0 333.344 3.272 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066711804 215072110 /nfs/dbraw/zinc/07/21/10/215072110.db2.gz MWQRCXKPSKGVRE-SUMWQHHRSA-N 0 0 326.352 3.197 10 5 EGBERN Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000068103472 215277233 /nfs/dbraw/zinc/27/72/33/215277233.db2.gz VZVSMSGJLGWJGU-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040649513 213363925 /nfs/dbraw/zinc/36/39/25/213363925.db2.gz TVJIJJHNPDPMSV-UHFFFAOYSA-N 0 0 339.311 3.324 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000371841771 168663964 /nfs/dbraw/zinc/66/39/64/168663964.db2.gz VLJQLEJTEAMWGG-ABDJAZHISA-N 0 0 344.411 3.273 10 5 EGBERN Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)o1 ZINC000127847333 222888396 /nfs/dbraw/zinc/88/83/96/222888396.db2.gz QGRXWGLVJGZHST-AWEZNQCLSA-N 0 0 346.387 3.145 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128132482 222917712 /nfs/dbraw/zinc/91/77/12/222917712.db2.gz CRQZCRUFBGDILK-BZNIZROVSA-N 0 0 338.791 3.015 10 5 EGBERN CCn1nc(C)c(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000182874852 234797092 /nfs/dbraw/zinc/79/70/92/234797092.db2.gz CIIPDUGIGFXXJD-ZHACJKMWSA-N 0 0 328.372 3.470 10 5 EGBERN COc1cccc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105714114 219514531 /nfs/dbraw/zinc/51/45/31/219514531.db2.gz FKKJWTHGRZMTCR-GFCCVEGCSA-N 0 0 335.381 3.279 10 5 EGBERN O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1csc(Br)c1 ZINC000037844210 213169921 /nfs/dbraw/zinc/16/99/21/213169921.db2.gz WYCQYFGPRMKJHG-UHFFFAOYSA-N 0 0 343.158 3.377 10 5 EGBERN CN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035122306 213009392 /nfs/dbraw/zinc/00/93/92/213009392.db2.gz CMLPCABASSOOBQ-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN CCC[C@@H](C)[C@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133156579 283502804 /nfs/dbraw/zinc/50/28/04/283502804.db2.gz WUEFMMXMFDHOEA-CHWSQXEVSA-N 0 0 330.388 3.008 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3=O)cc2)c1 ZINC000193392800 240143634 /nfs/dbraw/zinc/14/36/34/240143634.db2.gz PNTIXYUODWZOKI-UHFFFAOYSA-N 0 0 340.383 3.306 10 5 EGBERN O=C(NC1CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000000424509 283921468 /nfs/dbraw/zinc/92/14/68/283921468.db2.gz KCNMAAPGZVAWGO-UHFFFAOYSA-N 0 0 334.404 3.217 10 5 EGBERN CS[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342261876 241671931 /nfs/dbraw/zinc/67/19/31/241671931.db2.gz YATYZCPTIWMRFH-MWLCHTKSSA-N 0 0 344.383 3.206 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000132906024 223373226 /nfs/dbraw/zinc/37/32/26/223373226.db2.gz DZKUODSDLLYKBR-LDYMZIIASA-N 0 0 340.426 3.268 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(c4cccc(F)c4)CC3)nn21 ZINC000371335872 242035223 /nfs/dbraw/zinc/03/52/23/242035223.db2.gz NOZWMZCJQPRSLM-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCc1ccccc1-2 ZINC000021018229 212200602 /nfs/dbraw/zinc/20/06/02/212200602.db2.gz CUADDZGFDUIPLD-UHFFFAOYSA-N 0 0 334.335 3.336 10 5 EGBERN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000352830454 284225310 /nfs/dbraw/zinc/22/53/10/284225310.db2.gz KDXKMYGJHAURRU-VIFPVBQESA-N 0 0 341.154 3.042 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(Cl)nc1 ZINC000080910141 217339576 /nfs/dbraw/zinc/33/95/76/217339576.db2.gz UJPKZLAEQWAWQA-LLVKDONJSA-N 0 0 348.790 3.102 10 5 EGBERN CC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)CCCCC1 ZINC000264566677 246641831 /nfs/dbraw/zinc/64/18/31/246641831.db2.gz BSCBWOPLKKHPPJ-UHFFFAOYSA-N 0 0 344.371 3.249 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000266493587 248330293 /nfs/dbraw/zinc/33/02/93/248330293.db2.gz TYNMOEMPXGREPR-QWHCGFSZSA-N 0 0 348.424 3.410 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378642349 169151551 /nfs/dbraw/zinc/15/15/51/169151551.db2.gz FQVGPVPJVCEJQK-AWEZNQCLSA-N 0 0 348.305 3.167 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000011715100 211240270 /nfs/dbraw/zinc/24/02/70/211240270.db2.gz MXGKBEXTPFQQOL-UHFFFAOYSA-N 0 0 342.355 3.024 10 5 EGBERN CCOC(=O)c1ccccc1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000011232583 211209194 /nfs/dbraw/zinc/20/91/94/211209194.db2.gz IOHXQJRMKCBALA-UHFFFAOYSA-N 0 0 328.324 3.044 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000009900029 211131639 /nfs/dbraw/zinc/13/16/39/211131639.db2.gz ORPGVGHFGHYKAI-UHFFFAOYSA-N 0 0 335.363 3.204 10 5 EGBERN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767022 218246128 /nfs/dbraw/zinc/24/61/28/218246128.db2.gz LADYSSWKDYAPHX-ZKKXHLJNSA-N 0 0 339.386 3.269 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000152499162 223974650 /nfs/dbraw/zinc/97/46/50/223974650.db2.gz QBZXGKFNFRKLPL-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CCCOC1 ZINC000264507884 285085065 /nfs/dbraw/zinc/08/50/65/285085065.db2.gz SEAUDLKCDMLZQO-QMMMGPOBSA-N 0 0 335.238 3.113 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000370567571 285091911 /nfs/dbraw/zinc/09/19/11/285091911.db2.gz HBYYEHPCWHRBTP-KRWDZBQOSA-N 0 0 347.802 3.174 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000160326802 533125470 /nfs/dbraw/zinc/12/54/70/533125470.db2.gz WEUDEIOBRDTFQN-OZGIYJAKSA-N 0 0 346.383 3.151 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000186354924 533225563 /nfs/dbraw/zinc/22/55/63/533225563.db2.gz SDKLCCBIHDLCOV-AWEZNQCLSA-N 0 0 345.359 3.086 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000363825172 533405854 /nfs/dbraw/zinc/40/58/54/533405854.db2.gz RGEDRVUCPQGCOF-XYOKQWHBSA-N 0 0 339.351 3.105 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2ncon2)c1 ZINC000101526317 140840877 /nfs/dbraw/zinc/84/08/77/140840877.db2.gz UDJCQRHMOUBHTJ-BQYQJAHWSA-N 0 0 336.307 3.297 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1F ZINC000103377277 140873312 /nfs/dbraw/zinc/87/33/12/140873312.db2.gz MFJBWPFKSWFZSR-NSHDSACASA-N 0 0 330.315 3.091 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246652095 141023229 /nfs/dbraw/zinc/02/32/29/141023229.db2.gz CPTWAVSAQPQWEB-ZKYQVNSYSA-N 0 0 339.779 3.327 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000342808921 141149754 /nfs/dbraw/zinc/14/97/54/141149754.db2.gz RRSGJCYBMNANRM-UHFFFAOYSA-N 0 0 341.795 3.128 10 5 EGBERN CCc1ccc([C@H](NCc2ccn(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618935 141205732 /nfs/dbraw/zinc/20/57/32/141205732.db2.gz FZTOPAJXWCWALH-GOSISDBHSA-N 0 0 340.383 3.363 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000353005743 141283603 /nfs/dbraw/zinc/28/36/03/141283603.db2.gz NZRKEPVULJIRKM-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(-n2cccc2)c(F)c1 ZINC000354600795 141313107 /nfs/dbraw/zinc/31/31/07/141313107.db2.gz NDHFSPARNXIXAF-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(C(F)(F)F)CC1 ZINC000356281114 141335160 /nfs/dbraw/zinc/33/51/60/141335160.db2.gz ZEWMBDOMIHCKGE-UHFFFAOYSA-N 0 0 341.289 3.077 10 5 EGBERN C[C@H](c1noc(-c2ccc([N+](=O)[O-])n2C)n1)c1c(F)cccc1F ZINC000356848177 141353789 /nfs/dbraw/zinc/35/37/89/141353789.db2.gz MEQUDZZBRQEFBQ-QMMMGPOBSA-N 0 0 334.282 3.413 10 5 EGBERN Cn1cncc1Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000357984301 141374567 /nfs/dbraw/zinc/37/45/67/141374567.db2.gz ZEMQKANCENKWRY-UHFFFAOYSA-N 0 0 341.352 3.184 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cscn1 ZINC000171435768 144003776 /nfs/dbraw/zinc/00/37/76/144003776.db2.gz FLSLOKOFVOEPHQ-UHFFFAOYSA-N 0 0 334.401 3.172 10 5 EGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000171645806 144009098 /nfs/dbraw/zinc/00/90/98/144009098.db2.gz UEMRLLIBCMJQFC-HSBSLETESA-N 0 0 343.408 3.471 10 5 EGBERN CC(C)(C)C1CCC(O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173832994 144049931 /nfs/dbraw/zinc/04/99/31/144049931.db2.gz AUZFKOYMPFMRPG-UHFFFAOYSA-N 0 0 348.443 3.221 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@H]2C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184923435 144100687 /nfs/dbraw/zinc/10/06/87/144100687.db2.gz UGCZTBKJPUFJJB-LSDHHAIUSA-N 0 0 328.372 3.320 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184923401 144100829 /nfs/dbraw/zinc/10/08/29/144100829.db2.gz UGCZTBKJPUFJJB-HUUCEWRRSA-N 0 0 328.372 3.320 10 5 EGBERN COc1cccc(N[C@@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000185116660 144105661 /nfs/dbraw/zinc/10/56/61/144105661.db2.gz ANYNIDJAJWIKSX-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN COc1cccc(Cl)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000185196756 144106465 /nfs/dbraw/zinc/10/64/65/144106465.db2.gz NKFQDWIVYCMSPV-UHFFFAOYSA-N 0 0 348.786 3.458 10 5 EGBERN CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000187314258 144156507 /nfs/dbraw/zinc/15/65/07/144156507.db2.gz LXEHXALEVZZZTF-IAGOWNOFSA-N 0 0 345.399 3.400 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000192486787 144175016 /nfs/dbraw/zinc/17/50/16/144175016.db2.gz OPEXIFYCOPCYCE-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN COc1cc(NCC[C@H]2COc3ccccc3O2)c(F)cc1[N+](=O)[O-] ZINC000351453055 144264842 /nfs/dbraw/zinc/26/48/42/144264842.db2.gz OQHDTAVSAYRMHY-NSHDSACASA-N 0 0 348.330 3.385 10 5 EGBERN COC(=O)[C@@H](CNc1cc(OC)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351475007 144266087 /nfs/dbraw/zinc/26/60/87/144266087.db2.gz AUNNQGFFLDTNQR-LBPRGKRZSA-N 0 0 348.330 3.111 10 5 EGBERN COc1cccc(C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)n1 ZINC000351793334 144306928 /nfs/dbraw/zinc/30/69/28/144306928.db2.gz WSDYRIOQMIOTDB-UHFFFAOYSA-N 0 0 336.731 3.222 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000363856389 144372353 /nfs/dbraw/zinc/37/23/53/144372353.db2.gz OJEDCARLQTWIFY-INIZCTEOSA-N 0 0 336.363 3.155 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000374473017 144544422 /nfs/dbraw/zinc/54/44/22/144544422.db2.gz UKAMLKVJKLVEBN-GOSISDBHSA-N 0 0 343.358 3.196 10 5 EGBERN CCOCC(C)(C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000346206457 286028411 /nfs/dbraw/zinc/02/84/11/286028411.db2.gz HQXLYDCFSYYQMG-UHFFFAOYSA-N 0 0 348.321 3.406 10 5 EGBERN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000341277323 155224994 /nfs/dbraw/zinc/22/49/94/155224994.db2.gz FPNWNHPCKAARJF-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116354790 152057614 /nfs/dbraw/zinc/05/76/14/152057614.db2.gz DCOBYUIEYPRVHJ-ZDUSSCGKSA-N 0 0 336.369 3.022 10 5 EGBERN Cc1ccsc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341527435 155337016 /nfs/dbraw/zinc/33/70/16/155337016.db2.gz JCVXRXKDSMLDIB-UHFFFAOYSA-N 0 0 326.324 3.102 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117856354 152120058 /nfs/dbraw/zinc/12/00/58/152120058.db2.gz VVPYMONJTMXKQL-UHFFFAOYSA-N 0 0 343.408 3.384 10 5 EGBERN Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000153795127 152559264 /nfs/dbraw/zinc/55/92/64/152559264.db2.gz UFTBVACHEHINQQ-GOEBONIOSA-N 0 0 343.387 3.405 10 5 EGBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000155121794 152613195 /nfs/dbraw/zinc/61/31/95/152613195.db2.gz QUVVFLXHDCQTIK-GUYCJALGSA-N 0 0 346.408 3.118 10 5 EGBERN CO[C@H](C)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000188271401 153007966 /nfs/dbraw/zinc/00/79/66/153007966.db2.gz DFPAGVYSKDOHDE-JGVFFNPUSA-N 0 0 335.282 3.159 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1OCC ZINC000341607435 155378455 /nfs/dbraw/zinc/37/84/55/155378455.db2.gz HRLRACMIFYFNMB-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341608201 155380641 /nfs/dbraw/zinc/38/06/41/155380641.db2.gz QBXBIKWGKNPQNM-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191860449 153225719 /nfs/dbraw/zinc/22/57/19/153225719.db2.gz PYTLBIPGTLJKPQ-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ncccc1C ZINC000341615107 155384119 /nfs/dbraw/zinc/38/41/19/155384119.db2.gz OUIZQEMDAGCSEO-UHFFFAOYSA-N 0 0 328.372 3.153 10 5 EGBERN COc1cc(OC)cc([C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000193467570 153293634 /nfs/dbraw/zinc/29/36/34/153293634.db2.gz MHECMNOMZMPYGC-GFCCVEGCSA-N 0 0 343.383 3.188 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN2CCCC[C@@H]2C1 ZINC000195081560 153378233 /nfs/dbraw/zinc/37/82/33/153378233.db2.gz HQJUPAXSSIXSKO-CQSZACIVSA-N 0 0 345.424 3.120 10 5 EGBERN Cn1cccc1C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000195296960 153391965 /nfs/dbraw/zinc/39/19/65/153391965.db2.gz XVUAFQREMFYPAE-UHFFFAOYSA-N 0 0 328.246 3.214 10 5 EGBERN CC(C)c1nnc2n1C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000195314991 153395258 /nfs/dbraw/zinc/39/52/58/153395258.db2.gz SYOSTSSJKSSCGH-JTQLQIEISA-N 0 0 335.795 3.390 10 5 EGBERN Cc1nc(C)c(CNc2ncc([N+](=O)[O-])c(C)c2Br)o1 ZINC000336837413 154217778 /nfs/dbraw/zinc/21/77/78/154217778.db2.gz ZBABZEVQCQRWHI-UHFFFAOYSA-N 0 0 341.165 3.278 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)COCc1ccccc1 ZINC000336999109 154256733 /nfs/dbraw/zinc/25/67/33/154256733.db2.gz QPFFMZHQNUIXRI-UHFFFAOYSA-N 0 0 343.383 3.023 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337405456 154337026 /nfs/dbraw/zinc/33/70/26/154337026.db2.gz JFJRCZONRFUENT-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN COc1ccc(CNC(=O)c2coc(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000337786338 154540341 /nfs/dbraw/zinc/54/03/41/154540341.db2.gz BLYIRRPUDAAPRD-UHFFFAOYSA-N 0 0 345.355 3.179 10 5 EGBERN CCc1nc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cs1 ZINC000342921646 155580736 /nfs/dbraw/zinc/58/07/36/155580736.db2.gz RCIAKEPVDQIJEQ-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN O=C(NCc1cc(F)c(Cl)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000345539686 156135533 /nfs/dbraw/zinc/13/55/33/156135533.db2.gz JUQKJDUFLNAPGS-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C[C@H](C)c3ccccc3)no2)n1 ZINC000346950332 156210703 /nfs/dbraw/zinc/21/07/03/156210703.db2.gz ARQFEQVZINIESY-NSHDSACASA-N 0 0 327.344 3.207 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc([N+](=O)[O-])cc1OC ZINC000349033924 156325157 /nfs/dbraw/zinc/32/51/57/156325157.db2.gz HPFPMUAMMFDAEU-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368831767 157300766 /nfs/dbraw/zinc/30/07/66/157300766.db2.gz BPOHGWGLSOCHOM-UHFFFAOYSA-N 0 0 339.351 3.031 10 5 EGBERN Cc1ccc(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000372538169 157351533 /nfs/dbraw/zinc/35/15/33/157351533.db2.gz OMVGPNLESAVYOQ-UHFFFAOYSA-N 0 0 339.395 3.256 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC=C(c2ccccc2C)C1 ZINC000372861952 157399291 /nfs/dbraw/zinc/39/92/91/157399291.db2.gz NOOGUNPSYPJLNQ-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccccc1 ZINC000072821841 161656720 /nfs/dbraw/zinc/65/67/20/161656720.db2.gz RCIGWJTVFMCSDD-LBPRGKRZSA-N 0 0 339.351 3.273 10 5 EGBERN O=C(NCCCNc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109622560 162108951 /nfs/dbraw/zinc/10/89/51/162108951.db2.gz SVBAMMWOBYVNAJ-UHFFFAOYSA-N 0 0 338.367 3.308 10 5 EGBERN CCOc1ccc(C(=O)N(C)c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000109733619 162109899 /nfs/dbraw/zinc/10/98/99/162109899.db2.gz RHZACJPYRXHJPP-UHFFFAOYSA-N 0 0 335.747 3.319 10 5 EGBERN COc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110451236 162127867 /nfs/dbraw/zinc/12/78/67/162127867.db2.gz NFYIURIBJFJJGF-HUUCEWRRSA-N 0 0 326.352 3.137 10 5 EGBERN COc1ccc(F)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000125486811 162275319 /nfs/dbraw/zinc/27/53/19/162275319.db2.gz WQIOCMGUBICQNV-UHFFFAOYSA-N 0 0 343.314 3.405 10 5 EGBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000128899340 162340248 /nfs/dbraw/zinc/34/02/48/162340248.db2.gz RRFCAWXVPOOVIJ-SUMWQHHRSA-N 0 0 340.379 3.208 10 5 EGBERN CCO[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1C)C1CCCC1 ZINC000177355687 162631857 /nfs/dbraw/zinc/63/18/57/162631857.db2.gz CADIGIHXHUGOCB-MRXNPFEDSA-N 0 0 335.404 3.013 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180218433 162730680 /nfs/dbraw/zinc/73/06/80/162730680.db2.gz CWJDLPMSAAHPIH-UHFFFAOYSA-N 0 0 342.351 3.374 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](c1ccco1)c1ccccc1 ZINC000183552308 162831668 /nfs/dbraw/zinc/83/16/68/162831668.db2.gz MPOGJTMLTBNGKS-MRXNPFEDSA-N 0 0 338.323 3.494 10 5 EGBERN COc1ncc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000337137596 163140954 /nfs/dbraw/zinc/14/09/54/163140954.db2.gz OGVHONKCAWPLCT-UHFFFAOYSA-N 0 0 330.388 3.112 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000337143239 163143559 /nfs/dbraw/zinc/14/35/59/163143559.db2.gz YFVOOOUXELUPDR-GFCCVEGCSA-N 0 0 329.331 3.067 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1cccnc1 ZINC000338877901 163371587 /nfs/dbraw/zinc/37/15/87/163371587.db2.gz QUWJYVGRJSIGIN-KRWDZBQOSA-N 0 0 336.351 3.448 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000341968612 163750616 /nfs/dbraw/zinc/75/06/16/163750616.db2.gz MLTGQTYRAOUFLW-LLVKDONJSA-N 0 0 346.770 3.178 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343671687 164009141 /nfs/dbraw/zinc/00/91/41/164009141.db2.gz XDNUFYLCJCTPNY-PIMMBPRGSA-N 0 0 340.383 3.089 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343671689 164009352 /nfs/dbraw/zinc/00/93/52/164009352.db2.gz XDNUFYLCJCTPNY-SSDMNJCBSA-N 0 0 340.383 3.089 10 5 EGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000343814865 164041232 /nfs/dbraw/zinc/04/12/32/164041232.db2.gz KORSXGXYZAVGQI-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)OC ZINC000344360557 164164145 /nfs/dbraw/zinc/16/41/45/164164145.db2.gz YMXUKRKZJGNZJR-GHMZBOCLSA-N 0 0 326.418 3.250 10 5 EGBERN COc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1Br ZINC000344429659 164177377 /nfs/dbraw/zinc/17/73/77/164177377.db2.gz JFTOAYRZWVDSFJ-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN O=C(c1cc([O-])ccc1[N+](=O)[O-])N(CCC(F)(F)F)CC1CC1 ZINC000346369898 164375935 /nfs/dbraw/zinc/37/59/35/164375935.db2.gz BSRCJOZEZFLINB-UHFFFAOYSA-N 0 0 332.278 3.105 10 5 EGBERN CO[C@@H](C)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347274466 164471653 /nfs/dbraw/zinc/47/16/53/164471653.db2.gz KDKYMGJBFWXKHR-QMMMGPOBSA-N 0 0 331.166 3.111 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000354884225 166055293 /nfs/dbraw/zinc/05/52/93/166055293.db2.gz TXTYCCZZQOULRV-AWEZNQCLSA-N 0 0 345.399 3.339 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000348011692 164610273 /nfs/dbraw/zinc/61/02/73/164610273.db2.gz JZBUZCBRLAZQSN-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN COc1cc(CN2CCOC[C@@H]2c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000351937878 165159133 /nfs/dbraw/zinc/15/91/33/165159133.db2.gz SHNPIASAKHMYMG-OAHLLOKOSA-N 0 0 332.356 3.078 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000355007300 166085419 /nfs/dbraw/zinc/08/54/19/166085419.db2.gz TUVPUCSCECPWND-UHFFFAOYSA-N 0 0 338.363 3.208 10 5 EGBERN COc1cc(COc2cccc3c2CCCC(=O)N3)ccc1[N+](=O)[O-] ZINC000352046854 165208072 /nfs/dbraw/zinc/20/80/72/165208072.db2.gz GQMSREUTWQNHJO-UHFFFAOYSA-N 0 0 342.351 3.457 10 5 EGBERN COc1cc(Cn2ccnc2C(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000352059588 165214432 /nfs/dbraw/zinc/21/44/32/165214432.db2.gz INKSAUZZNTVKQK-UHFFFAOYSA-N 0 0 343.364 3.141 10 5 EGBERN COc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422879 165393811 /nfs/dbraw/zinc/39/38/11/165393811.db2.gz LMRYXGPYCDCDHI-NVXWUHKLSA-N 0 0 332.400 3.137 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000352813212 165510292 /nfs/dbraw/zinc/51/02/92/165510292.db2.gz AMAHDDKFZMCQSQ-DLBZAZTESA-N 0 0 342.399 3.024 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000355176057 166124381 /nfs/dbraw/zinc/12/43/81/166124381.db2.gz KIOFWSDUBAMLOM-PIGZYNQJSA-N 0 0 338.379 3.041 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000355379949 166179847 /nfs/dbraw/zinc/17/98/47/166179847.db2.gz FTAXEUHXJYFGFA-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1cc(OCC(=O)N2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000355466868 166210124 /nfs/dbraw/zinc/21/01/24/166210124.db2.gz ACJXIXVUUQDBCL-UHFFFAOYSA-N 0 0 348.399 3.021 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355804552 166315439 /nfs/dbraw/zinc/31/54/39/166315439.db2.gz UBVVZDXXBAWOPW-ZDUSSCGKSA-N 0 0 336.388 3.025 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000355875444 166334385 /nfs/dbraw/zinc/33/43/85/166334385.db2.gz BZFIXSMAQSRSRZ-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000356655863 166476476 /nfs/dbraw/zinc/47/64/76/166476476.db2.gz MQQGSMMSRJABQT-UTUOFQBUSA-N 0 0 343.383 3.355 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(F)c(F)cc3F)n2)nc1 ZINC000357328037 166648222 /nfs/dbraw/zinc/64/82/22/166648222.db2.gz HTFIUQXDJUZVCT-UHFFFAOYSA-N 0 0 336.229 3.048 10 5 EGBERN COc1c(C)cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1C ZINC000357327245 166648693 /nfs/dbraw/zinc/64/86/93/166648693.db2.gz DBHCGZPVJYNLIW-UHFFFAOYSA-N 0 0 340.339 3.256 10 5 EGBERN CCN(CCOC)c1cccc(CNc2cc([N+](=O)[O-])ccc2C)n1 ZINC000357338099 166651110 /nfs/dbraw/zinc/65/11/10/166651110.db2.gz FABUGBDBEQXUFR-UHFFFAOYSA-N 0 0 344.415 3.383 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000358940453 167014118 /nfs/dbraw/zinc/01/41/18/167014118.db2.gz PCGVYSLZLFICJI-LBPRGKRZSA-N 0 0 332.356 3.013 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000359120980 167072840 /nfs/dbraw/zinc/07/28/40/167072840.db2.gz IFMNXCOTLUHDMZ-KGLIPLIRSA-N 0 0 346.383 3.498 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000359339033 167130067 /nfs/dbraw/zinc/13/00/67/167130067.db2.gz ASUAVSYNASLWPU-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cncc(F)c1 ZINC000359538768 167184529 /nfs/dbraw/zinc/18/45/29/167184529.db2.gz HWYGJQPBSCJLPO-JTQLQIEISA-N 0 0 342.330 3.030 10 5 EGBERN CCN(CCc1nccs1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359549684 167189677 /nfs/dbraw/zinc/18/96/77/167189677.db2.gz XFZJPGWBKMVVKT-UHFFFAOYSA-N 0 0 348.428 3.134 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000360398123 167319690 /nfs/dbraw/zinc/31/96/90/167319690.db2.gz ZSAYDXHTJZSYOA-JTQLQIEISA-N 0 0 329.303 3.303 10 5 EGBERN COc1cc(CN(C)c2ccncc2[N+](=O)[O-])c(SC)cc1OC ZINC000360995133 167475983 /nfs/dbraw/zinc/47/59/83/167475983.db2.gz MCWCJLKVIDUSKA-UHFFFAOYSA-N 0 0 349.412 3.365 10 5 EGBERN O=C(c1ccnc2ccncc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000361903654 167693930 /nfs/dbraw/zinc/69/39/30/167693930.db2.gz WWCZLPASDUGEOG-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN CC1(C)CC[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000362596012 167807783 /nfs/dbraw/zinc/80/77/83/167807783.db2.gz JBEQXOPKZISLPV-HIFRSBDPSA-N 0 0 336.413 3.126 10 5 EGBERN CC1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCC1 ZINC000362739697 167831269 /nfs/dbraw/zinc/83/12/69/167831269.db2.gz DLNNWFICOFESPS-UHFFFAOYSA-N 0 0 333.207 3.339 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000365982745 168067221 /nfs/dbraw/zinc/06/72/21/168067221.db2.gz QUSZFPYKCNMVSM-PBHICJAKSA-N 0 0 344.342 3.384 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000366122213 168085558 /nfs/dbraw/zinc/08/55/58/168085558.db2.gz CZYRYFXJIBPQNM-ZBEGNZNMSA-N 0 0 329.331 3.352 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000367156426 168185575 /nfs/dbraw/zinc/18/55/75/168185575.db2.gz AKWALTXTWUWTLX-UHFFFAOYSA-N 0 0 331.397 3.459 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000367167519 168187242 /nfs/dbraw/zinc/18/72/42/168187242.db2.gz ZWDUYZKVRPOQPM-GOSISDBHSA-N 0 0 330.359 3.264 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367455038 168227337 /nfs/dbraw/zinc/22/73/37/168227337.db2.gz AFGFJADGFRUYQC-SJLPKXTDSA-N 0 0 340.379 3.174 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC[C@H]1C ZINC000367740198 168264932 /nfs/dbraw/zinc/26/49/32/168264932.db2.gz JZEJQDBYLKFKHH-GFCCVEGCSA-N 0 0 338.429 3.346 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000367799329 168271799 /nfs/dbraw/zinc/27/17/99/168271799.db2.gz FMPKZCURACJJLF-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCc3nc[nH]c3C2)cc1C(F)(F)F ZINC000367905818 168282496 /nfs/dbraw/zinc/28/24/96/168282496.db2.gz CAYILJSVSVDVAV-SECBINFHSA-N 0 0 326.278 3.306 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000171507890 227115779 /nfs/dbraw/zinc/11/57/79/227115779.db2.gz FMNREGQQMBONJS-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN Cc1csc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n1 ZINC000171216967 264934257 /nfs/dbraw/zinc/93/42/57/264934257.db2.gz MJPARLHAPCRMMY-SECBINFHSA-N 0 0 332.385 3.418 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173211706 264965982 /nfs/dbraw/zinc/96/59/82/264965982.db2.gz KQCNMUJYAWKSGH-VHSXEESVSA-N 0 0 332.809 3.057 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(=O)N(C)C ZINC000175382519 265111956 /nfs/dbraw/zinc/11/19/56/265111956.db2.gz MUVBRLXKUUOKLJ-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000176272462 265167038 /nfs/dbraw/zinc/16/70/38/265167038.db2.gz GJPGSMQCFMTGTH-BDJLRTHQSA-N 0 0 345.403 3.148 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176684180 265197773 /nfs/dbraw/zinc/19/77/73/265197773.db2.gz FCMHTXSJOOGSGY-IRXDYDNUSA-N 0 0 349.431 3.286 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000177797414 265279120 /nfs/dbraw/zinc/27/91/20/265279120.db2.gz IBPVECGXKUIYGS-OAHLLOKOSA-N 0 0 342.351 3.247 10 5 EGBERN CC[C@H](NC(=O)C(=O)Nc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000178056622 265293732 /nfs/dbraw/zinc/29/37/32/265293732.db2.gz RKZKGYCJKMVEBN-HNNXBMFYSA-N 0 0 341.367 3.109 10 5 EGBERN Cc1nc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000179270327 265369680 /nfs/dbraw/zinc/36/96/80/265369680.db2.gz CWURBFQQUYKCFS-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000191702653 265925516 /nfs/dbraw/zinc/92/55/16/265925516.db2.gz XKAROFLKHPOAAC-HNNXBMFYSA-N 0 0 342.399 3.473 10 5 EGBERN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000193637051 266049661 /nfs/dbraw/zinc/04/96/61/266049661.db2.gz GEEMVFXSTMBNSL-GFCCVEGCSA-N 0 0 347.371 3.184 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000193722656 266055877 /nfs/dbraw/zinc/05/58/77/266055877.db2.gz UQMRAABTEZBILM-QGZVFWFLSA-N 0 0 349.431 3.337 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270375877 266504606 /nfs/dbraw/zinc/50/46/06/266504606.db2.gz UGXBBDHDXCLFOT-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN CC[C@H](NC(=O)C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000272708545 266903072 /nfs/dbraw/zinc/90/30/72/266903072.db2.gz DBOMOFHQMGUPOI-PKOBYXMFSA-N 0 0 342.395 3.460 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000273253134 267006482 /nfs/dbraw/zinc/00/64/82/267006482.db2.gz JLNVORFRTDRCAN-FQNOHDAGSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([C@H](C)CCO)CCC1 ZINC000273532806 267054363 /nfs/dbraw/zinc/05/43/63/267054363.db2.gz ZXJQSTNICMKWDZ-OKFGHLOFSA-N 0 0 346.427 3.303 10 5 EGBERN Cc1cc(C[C@H](C)Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])n[nH]1 ZINC000278461887 268018579 /nfs/dbraw/zinc/01/85/79/268018579.db2.gz STYCNOQJXDNVNT-ZETCQYMHSA-N 0 0 329.282 3.083 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1c(C)cc(C)[nH]c1=O ZINC000278495387 268025539 /nfs/dbraw/zinc/02/55/39/268025539.db2.gz HXCBRAAPMOZYBR-UHFFFAOYSA-N 0 0 345.355 3.019 10 5 EGBERN Cc1cc(N2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338655999 274706451 /nfs/dbraw/zinc/70/64/51/274706451.db2.gz PRINIEBDJLMMBQ-UHFFFAOYSA-N 0 0 329.322 3.206 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(-n2cccc2)ccn1 ZINC000341601792 274997599 /nfs/dbraw/zinc/99/75/99/274997599.db2.gz WTMYXIXAOHWPNB-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN COc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cn1 ZINC000109590160 275178734 /nfs/dbraw/zinc/17/87/34/275178734.db2.gz FFHRXZQRXGVPKH-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN COc1ccc2c(c1)[nH]nc2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000194808692 275226528 /nfs/dbraw/zinc/22/65/28/275226528.db2.gz ZGHFXKGICBRLEW-UHFFFAOYSA-N 0 0 332.341 3.102 10 5 EGBERN C[C@H]1COCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194831840 275227546 /nfs/dbraw/zinc/22/75/46/275227546.db2.gz BCKXABFHDIXSKW-WPRPVWTQSA-N 0 0 332.278 3.225 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000278627269 275260425 /nfs/dbraw/zinc/26/04/25/275260425.db2.gz MFRVFWRNYWIYJW-BXUZGUMPSA-N 0 0 340.807 3.180 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000279961655 275382576 /nfs/dbraw/zinc/38/25/76/275382576.db2.gz JPFRBUBBVBNGBD-KRWDZBQOSA-N 0 0 331.372 3.107 10 5 EGBERN COc1cc(CNc2cn(C)nc2C(C)C)c([N+](=O)[O-])cc1OC ZINC000280303101 275434743 /nfs/dbraw/zinc/43/47/43/275434743.db2.gz NTSJHLBRVYWWDJ-UHFFFAOYSA-N 0 0 334.376 3.081 10 5 EGBERN O=C(CO[C@H]1CCCc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000282001658 275595425 /nfs/dbraw/zinc/59/54/25/275595425.db2.gz OJTFLEMUYGHIIS-SFHVURJKSA-N 0 0 340.379 3.305 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000283584930 275736046 /nfs/dbraw/zinc/73/60/46/275736046.db2.gz LCYNBZWRSHJXME-CYBMUJFWSA-N 0 0 343.387 3.144 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285290495 275862506 /nfs/dbraw/zinc/86/25/06/275862506.db2.gz LETPHUSQDPHKRR-MRXNPFEDSA-N 0 0 336.342 3.334 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286987459 276067212 /nfs/dbraw/zinc/06/72/12/276067212.db2.gz PDEHMRXWKSYZRQ-INWMFGNUSA-N 0 0 335.404 3.018 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000287791889 276157654 /nfs/dbraw/zinc/15/76/54/276157654.db2.gz WBIDYTAHPSWLOC-DOMZBBRYSA-N 0 0 337.445 3.488 10 5 EGBERN CC(=O)c1cc(NC2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000288438495 276214299 /nfs/dbraw/zinc/21/42/99/276214299.db2.gz NCAUTSZOSHAELP-UHFFFAOYSA-N 0 0 345.321 3.236 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)s1 ZINC000288865112 276261818 /nfs/dbraw/zinc/26/18/18/276261818.db2.gz KTNPWKOQPZOCNI-JTQLQIEISA-N 0 0 335.389 3.433 10 5 EGBERN CCCO[C@@H]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360118748 276267192 /nfs/dbraw/zinc/26/71/92/276267192.db2.gz RHZBYPWZERIZMJ-CQSZACIVSA-N 0 0 336.388 3.167 10 5 EGBERN Cc1ccc(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000289457342 276341995 /nfs/dbraw/zinc/34/19/95/276341995.db2.gz VZDBVSPLFOONIV-UHFFFAOYSA-N 0 0 347.802 3.195 10 5 EGBERN CCOc1ccc([C@H](C)N[C@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224828 276376772 /nfs/dbraw/zinc/37/67/72/276376772.db2.gz HQVWYSFARPUDPD-FZMZJTMJSA-N 0 0 345.403 3.079 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000289682009 276377445 /nfs/dbraw/zinc/37/74/45/276377445.db2.gz FYBIXDRJAGMLTN-SJCJKPOMSA-N 0 0 343.383 3.401 10 5 EGBERN CCOc1cc(NC(=O)C2(CCF)CC2)c([N+](=O)[O-])cc1OCC ZINC000291066228 276583917 /nfs/dbraw/zinc/58/39/17/276583917.db2.gz DOFCRFOUTVBSPG-UHFFFAOYSA-N 0 0 340.351 3.471 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292671995 276850530 /nfs/dbraw/zinc/85/05/30/276850530.db2.gz DLPOTLYOGFIJHB-GXTWGEPZSA-N 0 0 341.314 3.112 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292754538 276869573 /nfs/dbraw/zinc/86/95/73/276869573.db2.gz KAGBRILPBJFPLZ-OCCSQVGLSA-N 0 0 325.315 3.412 10 5 EGBERN COC[C@@H]1CCCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000375137656 277574147 /nfs/dbraw/zinc/57/41/47/277574147.db2.gz VYSQZSLGWRPPRO-WSYSLRRZSA-N 0 0 332.400 3.273 10 5 EGBERN COCC1(C2CC2)CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000601225646 460756039 /nfs/dbraw/zinc/75/60/39/460756039.db2.gz HXKBCGIPYHXEEH-UHFFFAOYSA-N 0 0 326.780 3.120 10 5 EGBERN CC1(C)CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125520538 278216291 /nfs/dbraw/zinc/21/62/91/278216291.db2.gz MZJZPXIHCPSHRW-UHFFFAOYSA-N 0 0 326.418 3.015 10 5 EGBERN CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000349076852 279013539 /nfs/dbraw/zinc/01/35/39/279013539.db2.gz DNVUJZIPZPSYGX-OAHLLOKOSA-N 0 0 348.424 3.376 10 5 EGBERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000191937508 279039996 /nfs/dbraw/zinc/03/99/96/279039996.db2.gz IENNADSCEVTHCS-WPRPVWTQSA-N 0 0 343.177 3.111 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000157888560 280358850 /nfs/dbraw/zinc/35/88/50/280358850.db2.gz HCMMCEYMEGVENX-KRWDZBQOSA-N 0 0 345.786 3.322 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)n1 ZINC000343630065 288710569 /nfs/dbraw/zinc/71/05/69/288710569.db2.gz PBLZPYFOMHLQAI-OCCSQVGLSA-N 0 0 328.372 3.035 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971903 290251302 /nfs/dbraw/zinc/25/13/02/290251302.db2.gz KLSXZOVOWTUSBC-BASYENTBSA-N 0 0 334.416 3.314 10 5 EGBERN COc1ccc(F)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000350149080 295147660 /nfs/dbraw/zinc/14/76/60/295147660.db2.gz DDDBYQFPEKDANL-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000376828140 295362821 /nfs/dbraw/zinc/36/28/21/295362821.db2.gz MTLJRDXRQBSKBG-LBPRGKRZSA-N 0 0 345.786 3.460 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000364678675 300078098 /nfs/dbraw/zinc/07/80/98/300078098.db2.gz YDGUXZSNVMFKOA-SGTLLEGYSA-N 0 0 346.383 3.018 10 5 EGBERN CC(C)[C@H]1N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCOCC2 ZINC000413561525 309037482 /nfs/dbraw/zinc/03/74/82/309037482.db2.gz ZQGCYGJNHCOYLQ-OAHLLOKOSA-N 0 0 330.388 3.113 10 5 EGBERN C[C@@H]1CC(C)(C)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000413579969 309038290 /nfs/dbraw/zinc/03/82/90/309038290.db2.gz LADGYRZEXFIQHY-GFCCVEGCSA-N 0 0 342.399 3.184 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000069581080 307375543 /nfs/dbraw/zinc/37/55/43/307375543.db2.gz YRBXDSUCWVMQOW-LBPRGKRZSA-N 0 0 349.412 3.314 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000075291597 307398725 /nfs/dbraw/zinc/39/87/25/307398725.db2.gz DHJHCHXVUOKUOC-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)O1 ZINC000413999568 309055980 /nfs/dbraw/zinc/05/59/80/309055980.db2.gz XAPUFFWWHDJXGR-KXUCPTDWSA-N 0 0 346.305 3.157 10 5 EGBERN Cc1cccc(OCC(=O)N(CC(C)C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000131256653 307640382 /nfs/dbraw/zinc/64/03/82/307640382.db2.gz VQEAQWXKKIEOHC-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(OCC(F)F)n2)cc1[N+](=O)[O-] ZINC000133017207 307666263 /nfs/dbraw/zinc/66/62/63/307666263.db2.gz NZSONTOBZNKBIM-UHFFFAOYSA-N 0 0 343.311 3.256 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134566894 307690075 /nfs/dbraw/zinc/69/00/75/307690075.db2.gz RQOHOTLZCLPVIH-ABAIWWIYSA-N 0 0 340.807 3.309 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151748821 307738436 /nfs/dbraw/zinc/73/84/36/307738436.db2.gz HRNCYSPRZYHWGK-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN CCc1noc(C)c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000292903282 308078431 /nfs/dbraw/zinc/07/84/31/308078431.db2.gz WYOWJDFZQHZICU-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000292964872 308084764 /nfs/dbraw/zinc/08/47/64/308084764.db2.gz GVMULVCPKRJRRQ-IAQYHMDHSA-N 0 0 340.807 3.228 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCCC[C@@H]3OC)n2)c1 ZINC000293093147 308098892 /nfs/dbraw/zinc/09/88/92/308098892.db2.gz FFRVFIBQWVTECG-HIFRSBDPSA-N 0 0 347.371 3.250 10 5 EGBERN CN(C)c1cc(F)c(C(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000293924221 308174174 /nfs/dbraw/zinc/17/41/74/308174174.db2.gz NOXYUPMURTUPKW-UHFFFAOYSA-N 0 0 344.346 3.325 10 5 EGBERN CC(C)(CCC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[N+](=O)[O-] ZINC000294407436 308218248 /nfs/dbraw/zinc/21/82/48/308218248.db2.gz DHGNCBBHYGHKRF-UHFFFAOYSA-N 0 0 343.387 3.123 10 5 EGBERN CCn1ccnc1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000294925840 308272421 /nfs/dbraw/zinc/27/24/21/308272421.db2.gz GZGBYTMTHJRFBJ-UHFFFAOYSA-N 0 0 325.166 3.186 10 5 EGBERN Cc1ccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000296077484 308391435 /nfs/dbraw/zinc/39/14/35/308391435.db2.gz VTJLTRVLEGAHKO-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN CCc1ccc([C@@H](COC)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000297182718 308507695 /nfs/dbraw/zinc/50/76/95/308507695.db2.gz QCNPIISRMXQELO-CQSZACIVSA-N 0 0 330.344 3.426 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](O)C12CCCC2 ZINC000297774441 308562768 /nfs/dbraw/zinc/56/27/68/308562768.db2.gz JRDBKEGFADEYDG-ZDUSSCGKSA-N 0 0 338.791 3.076 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000298162860 308589086 /nfs/dbraw/zinc/58/90/86/308589086.db2.gz DQZJHMGWSXZKGP-DZGCQCFKSA-N 0 0 342.399 3.323 10 5 EGBERN CCOc1ccc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])cc1F ZINC000301190699 308691386 /nfs/dbraw/zinc/69/13/86/308691386.db2.gz VZVYIDYHEHDILS-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(OC)c(OC)c2)c1 ZINC000301347849 308697448 /nfs/dbraw/zinc/69/74/48/308697448.db2.gz LIPPTJDGMXJQEY-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN O=C(c1cc(N2C[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301529571 308703980 /nfs/dbraw/zinc/70/39/80/308703980.db2.gz HENNLNQAYNYROF-GJZGRUSLSA-N 0 0 343.427 3.457 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000301631641 308708275 /nfs/dbraw/zinc/70/82/75/308708275.db2.gz JEWPYNCQSSEKAA-IAQYHMDHSA-N 0 0 334.351 3.027 10 5 EGBERN COc1cc(NC[C@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1F ZINC000301648160 308708867 /nfs/dbraw/zinc/70/88/67/308708867.db2.gz QMYMFVHUPWHPBG-INIZCTEOSA-N 0 0 338.335 3.272 10 5 EGBERN O=C1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000301743992 308713518 /nfs/dbraw/zinc/71/35/18/308713518.db2.gz MTCNDEUQYWUETC-ZDUSSCGKSA-N 0 0 346.774 3.251 10 5 EGBERN COC(=O)c1cc(N2CCCC[C@@H](SC)C2)cc(C)c1[N+](=O)[O-] ZINC000301779160 308714950 /nfs/dbraw/zinc/71/49/50/308714950.db2.gz MLRPOKKGVJCOPJ-CYBMUJFWSA-N 0 0 338.429 3.412 10 5 EGBERN CC(C)(C)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000301815760 308716430 /nfs/dbraw/zinc/71/64/30/308716430.db2.gz ZXLGCUFFXVZONC-UHFFFAOYSA-N 0 0 340.445 3.261 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000301816815 308716612 /nfs/dbraw/zinc/71/66/12/308716612.db2.gz JQHJCKFKGGKZFG-DAXOMENPSA-N 0 0 346.383 3.059 10 5 EGBERN Cc1cc([C@H]2CN(c3ccc([N+](=O)[O-])c(C)n3)CCO2)ccc1F ZINC000301920865 308721796 /nfs/dbraw/zinc/72/17/96/308721796.db2.gz XHHVSTYNMDAPAT-MRXNPFEDSA-N 0 0 331.347 3.324 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301992902 308724417 /nfs/dbraw/zinc/72/44/17/308724417.db2.gz OCAMAPQDYJJJGA-LLVKDONJSA-N 0 0 325.434 3.033 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000302786755 308745698 /nfs/dbraw/zinc/74/56/98/308745698.db2.gz WHQHBPNCJOKTDR-KCPJHIHWSA-N 0 0 326.780 3.021 10 5 EGBERN Cc1ccc([C@H](CNc2cc(F)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000302859985 308748246 /nfs/dbraw/zinc/74/82/46/308748246.db2.gz ONQMALNVEKVNHC-INIZCTEOSA-N 0 0 349.362 3.121 10 5 EGBERN COc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000302864684 308748559 /nfs/dbraw/zinc/74/85/59/308748559.db2.gz SZDGJBSADIEMDO-UHFFFAOYSA-N 0 0 328.368 3.217 10 5 EGBERN COC(=O)[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000320710106 308767469 /nfs/dbraw/zinc/76/74/69/308767469.db2.gz ZXTKCNZMSOQSCN-OAHLLOKOSA-N 0 0 334.759 3.252 10 5 EGBERN COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)c(OC)c1 ZINC000410350800 308916391 /nfs/dbraw/zinc/91/63/91/308916391.db2.gz FLBIWRVUFVAZQC-UHFFFAOYSA-N 0 0 344.367 3.410 10 5 EGBERN CSc1ccc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000411125120 308927906 /nfs/dbraw/zinc/92/79/06/308927906.db2.gz YPXUSEHWKBUUJY-UHFFFAOYSA-N 0 0 346.330 3.484 10 5 EGBERN CC[C@H](NC(=O)C[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000412170534 308972836 /nfs/dbraw/zinc/97/28/36/308972836.db2.gz SUEFBHWTFNZAPU-WBMJQRKESA-N 0 0 330.388 3.089 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)n1 ZINC000412809106 309003866 /nfs/dbraw/zinc/00/38/66/309003866.db2.gz HKNYIXXDIJSLSP-LBPRGKRZSA-N 0 0 336.436 3.488 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000413116639 309016938 /nfs/dbraw/zinc/01/69/38/309016938.db2.gz PWUQYGPQFGJOCK-GFCCVEGCSA-N 0 0 346.362 3.076 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000413188017 309020354 /nfs/dbraw/zinc/02/03/54/309020354.db2.gz WLAVTYJRIHWGOT-CQSZACIVSA-N 0 0 345.321 3.406 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000413194092 309020725 /nfs/dbraw/zinc/02/07/25/309020725.db2.gz BFIJJFLLPVHFKJ-GHMZBOCLSA-N 0 0 345.321 3.262 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000413206867 309021476 /nfs/dbraw/zinc/02/14/76/309021476.db2.gz QFJNFJUOTANBAO-CABCVRRESA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC2(CC1)OCCc1ccccc12 ZINC000413341942 309027714 /nfs/dbraw/zinc/02/77/14/309027714.db2.gz YIKGYSNXHCLYAF-UHFFFAOYSA-N 0 0 325.368 3.058 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nc2c(s1)CCC2 ZINC000414863922 309106302 /nfs/dbraw/zinc/10/63/02/309106302.db2.gz CEOGCYBUMMVVBB-VIFPVBQESA-N 0 0 329.381 3.131 10 5 EGBERN C[C@@H]1C[C@@H]1N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000415909712 309147731 /nfs/dbraw/zinc/14/77/31/309147731.db2.gz XXMQQNJYZUNHMC-CJNGLKHVSA-N 0 0 326.352 3.415 10 5 EGBERN COc1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000416008761 309154514 /nfs/dbraw/zinc/15/45/14/309154514.db2.gz CWTGIXPUWDFMCG-NSHDSACASA-N 0 0 338.257 3.059 10 5 EGBERN C[C@@H](NC(=O)N[C@H](CO)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000416697555 309177317 /nfs/dbraw/zinc/17/73/17/309177317.db2.gz FBGPVNSHXUQBTO-HIFRSBDPSA-N 0 0 349.431 3.286 10 5 EGBERN COc1ccc2c(c1)OC(C)(C)CN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000420630633 309291014 /nfs/dbraw/zinc/29/10/14/309291014.db2.gz FCUWMUQQWUGEPW-UHFFFAOYSA-N 0 0 329.356 3.176 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000420820937 309296615 /nfs/dbraw/zinc/29/66/15/309296615.db2.gz NABJSCCTQMUBIK-TZMCWYRMSA-N 0 0 349.456 3.488 10 5 EGBERN COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1[N+](=O)[O-] ZINC000421445534 309324846 /nfs/dbraw/zinc/32/48/46/309324846.db2.gz KSIRZTUVIBKRMS-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nc1 ZINC000421467091 309325789 /nfs/dbraw/zinc/32/57/89/309325789.db2.gz FBLWWCLUAVJSIC-UHFFFAOYSA-N 0 0 325.368 3.490 10 5 EGBERN O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421497264 309327228 /nfs/dbraw/zinc/32/72/28/309327228.db2.gz HBMVMSMEVFREET-ZNMIVQPWSA-N 0 0 344.411 3.401 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000421571168 309330148 /nfs/dbraw/zinc/33/01/48/309330148.db2.gz VCFIKUOKJHDBQX-YOEHRIQHSA-N 0 0 334.416 3.393 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000421787879 309340186 /nfs/dbraw/zinc/34/01/86/309340186.db2.gz VVYMBFFMWKDHEX-WMLDXEAASA-N 0 0 334.416 3.273 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CCCO)c1 ZINC000421801888 309340748 /nfs/dbraw/zinc/34/07/48/309340748.db2.gz MDRILUZZIDXQRA-UHFFFAOYSA-N 0 0 328.368 3.389 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421860840 309343839 /nfs/dbraw/zinc/34/38/39/309343839.db2.gz HEDBMKHCDKLDTF-UHFFFAOYSA-N 0 0 342.399 3.194 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]12CCOC2 ZINC000422075957 309354133 /nfs/dbraw/zinc/35/41/33/309354133.db2.gz SNTNRRFKRZKPNB-MRXNPFEDSA-N 0 0 336.413 3.100 10 5 EGBERN COc1ccnc(N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC000425619129 309488118 /nfs/dbraw/zinc/48/81/18/309488118.db2.gz LOIMJIBHHHFITK-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC000425989292 309496785 /nfs/dbraw/zinc/49/67/85/309496785.db2.gz JVSCNAHWEXYRGK-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN COC(=O)c1cnc(N(C)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000428659831 309557923 /nfs/dbraw/zinc/55/79/23/309557923.db2.gz XWCQBCIQVWWTSC-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000429367150 309579813 /nfs/dbraw/zinc/57/98/13/309579813.db2.gz UMEWVZLMKFCQOX-TXEJJXNPSA-N 0 0 339.461 3.124 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCc2ccc(F)c(F)c2C1 ZINC000430214880 309601716 /nfs/dbraw/zinc/60/17/16/309601716.db2.gz AJXVPMHXXKMIHB-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000431151979 309626830 /nfs/dbraw/zinc/62/68/30/309626830.db2.gz MCOWGEGGVQGTTN-CMPLNLGQSA-N 0 0 339.189 3.194 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000431800423 309643438 /nfs/dbraw/zinc/64/34/38/309643438.db2.gz LDEVXFKZKLZRKU-HNNXBMFYSA-N 0 0 338.363 3.223 10 5 EGBERN C[C@H](NC(=O)NCCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000432399849 309659828 /nfs/dbraw/zinc/65/98/28/309659828.db2.gz KSNZIAOYIIJHNJ-JJRVBVJISA-N 0 0 349.431 3.286 10 5 EGBERN O=[N+]([O-])c1c(NCC2(CO)CC3(CCC3)C2)ccc2ncccc21 ZINC000432827872 309669893 /nfs/dbraw/zinc/66/98/93/309669893.db2.gz FSMHXGLIZPJODU-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000434769941 309719697 /nfs/dbraw/zinc/71/96/97/309719697.db2.gz POHYHFDUNGLPHB-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000435949590 309743704 /nfs/dbraw/zinc/74/37/04/309743704.db2.gz SLLJJGFGFMWOJF-UHFFFAOYSA-N 0 0 337.738 3.334 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@@H](C3CCCCC3)C1)CCN2 ZINC000436322919 309752619 /nfs/dbraw/zinc/75/26/19/309752619.db2.gz FCZNEYNXQUFGDK-QGZVFWFLSA-N 0 0 331.416 3.348 10 5 EGBERN COC[C@@](C)(NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000439156381 309827492 /nfs/dbraw/zinc/82/74/92/309827492.db2.gz CYPNQDRBKBLCKU-CQSZACIVSA-N 0 0 348.321 3.415 10 5 EGBERN COC(=O)c1cc(N(C)Cc2cccc(OC)c2)cc(C)c1[N+](=O)[O-] ZINC000440720308 309855280 /nfs/dbraw/zinc/85/52/80/309855280.db2.gz ZUCYQSUWUQPXFT-UHFFFAOYSA-N 0 0 344.367 3.335 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(Cc2ccccc2Cl)C1 ZINC000443847843 309908474 /nfs/dbraw/zinc/90/84/74/309908474.db2.gz FFCBTRPGWCMKPP-UHFFFAOYSA-N 0 0 344.798 3.492 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000444882722 309932743 /nfs/dbraw/zinc/93/27/43/309932743.db2.gz ZPBYZTFMJLYKNZ-CQSZACIVSA-N 0 0 341.411 3.330 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000444906382 309933037 /nfs/dbraw/zinc/93/30/37/309933037.db2.gz UKRBJMJGPIYBHJ-INIZCTEOSA-N 0 0 342.355 3.271 10 5 EGBERN COC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000446112063 309956324 /nfs/dbraw/zinc/95/63/24/309956324.db2.gz MYHVXJGJYGDUKB-KRWDZBQOSA-N 0 0 346.358 3.170 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ncsc2C1)c1cccc([N+](=O)[O-])c1 ZINC000446679250 309965880 /nfs/dbraw/zinc/96/58/80/309965880.db2.gz XNRDZNNRVLGLOS-CYBMUJFWSA-N 0 0 346.412 3.270 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ncccc2F)c2ncccc12 ZINC000446882618 309970117 /nfs/dbraw/zinc/97/01/17/309970117.db2.gz GFQOFRKTSOQYPF-UHFFFAOYSA-N 0 0 328.303 3.168 10 5 EGBERN CCOC(=O)c1nnc(S[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000447186783 309975309 /nfs/dbraw/zinc/97/53/09/309975309.db2.gz YUYRPPIEOBBQDT-QMMMGPOBSA-N 0 0 339.398 3.476 10 5 EGBERN CSCc1cccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447670312 309985474 /nfs/dbraw/zinc/98/54/74/309985474.db2.gz MRUPNZGMZHSBKY-UHFFFAOYSA-N 0 0 328.397 3.368 10 5 EGBERN CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447686503 309985655 /nfs/dbraw/zinc/98/56/55/309985655.db2.gz QSHIFKZUGLAXRY-MGPLVRAMSA-N 0 0 344.346 3.220 10 5 EGBERN CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447696952 309985991 /nfs/dbraw/zinc/98/59/91/309985991.db2.gz VJKCZTKJWPYHNR-HWPZZCPQSA-N 0 0 344.346 3.220 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SC1CCOCC1 ZINC000447813458 309989575 /nfs/dbraw/zinc/98/95/75/309989575.db2.gz SAIQJQIMAPJKED-UHFFFAOYSA-N 0 0 331.777 3.306 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449003405 310028009 /nfs/dbraw/zinc/02/80/09/310028009.db2.gz QNOMMGARRHSKKF-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H](O)C1CCC1 ZINC000449930559 310094572 /nfs/dbraw/zinc/09/45/72/310094572.db2.gz WCXJJKZDVWSJDF-KRWDZBQOSA-N 0 0 342.351 3.487 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450162961 310106526 /nfs/dbraw/zinc/10/65/26/310106526.db2.gz LTBDLEXKLBGEHU-CHWSQXEVSA-N 0 0 328.290 3.284 10 5 EGBERN Cc1cc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)nn1[C@@H](C)C1CC1 ZINC000450432452 310122479 /nfs/dbraw/zinc/12/24/79/310122479.db2.gz ANWSKGBPMIHJCG-JTQLQIEISA-N 0 0 326.360 3.113 10 5 EGBERN Cc1cncn1C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450493491 310126027 /nfs/dbraw/zinc/12/60/27/310126027.db2.gz CWXGDULGMWXSHM-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450652586 310135267 /nfs/dbraw/zinc/13/52/67/310135267.db2.gz GDLRZGKTZSATBK-AEFFLSMTSA-N 0 0 330.359 3.208 10 5 EGBERN CCc1ncc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)o1 ZINC000450850254 310145850 /nfs/dbraw/zinc/14/58/50/310145850.db2.gz WTYGGQHEBNOSNC-UHFFFAOYSA-N 0 0 339.735 3.197 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000450879012 310147511 /nfs/dbraw/zinc/14/75/11/310147511.db2.gz VUZGKTHCSRHGBK-LLVKDONJSA-N 0 0 331.338 3.224 10 5 EGBERN Cc1nn(CC[S@](=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000450955096 310151951 /nfs/dbraw/zinc/15/19/51/310151951.db2.gz CXAIOOSNXVVSCL-NRFANRHFSA-N 0 0 348.211 3.214 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1(C(F)(F)F)CC1 ZINC000451725865 310194806 /nfs/dbraw/zinc/19/48/06/310194806.db2.gz NXRMMFLEMVTYBM-UHFFFAOYSA-N 0 0 344.289 3.016 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000452585595 310233294 /nfs/dbraw/zinc/23/32/94/310233294.db2.gz JSDISCPJTADSML-USXIJHARSA-N 0 0 332.400 3.059 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000452812948 310243123 /nfs/dbraw/zinc/24/31/23/310243123.db2.gz FEUVIFVQYBSQLL-NHYWBVRUSA-N 0 0 340.807 3.429 10 5 EGBERN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000453022029 310253128 /nfs/dbraw/zinc/25/31/28/310253128.db2.gz CDYBUCDVLRAGJD-GFCCVEGCSA-N 0 0 344.289 3.160 10 5 EGBERN Cc1ccc(-c2noc(-c3nn(C)c4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000453092461 310257400 /nfs/dbraw/zinc/25/74/00/310257400.db2.gz MLXXNQNTUHYYHH-UHFFFAOYSA-N 0 0 339.355 3.233 10 5 EGBERN CC[C@](C)(OC)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453240810 310266137 /nfs/dbraw/zinc/26/61/37/310266137.db2.gz SRUMLZARMQSVMN-INIZCTEOSA-N 0 0 332.360 3.275 10 5 EGBERN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454344053 310304632 /nfs/dbraw/zinc/30/46/32/310304632.db2.gz TZNHLRMSCACJAU-UHFFFAOYSA-N 0 0 331.347 3.302 10 5 EGBERN CCCc1ncc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000454947835 310337015 /nfs/dbraw/zinc/33/70/15/310337015.db2.gz VDHIFPPCXVFONC-UHFFFAOYSA-N 0 0 332.360 3.474 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456102326 310388716 /nfs/dbraw/zinc/38/87/16/310388716.db2.gz LFNKBLCSEBAEPF-LZWOXQAQSA-N 0 0 332.400 3.059 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000456601499 310414422 /nfs/dbraw/zinc/41/44/22/310414422.db2.gz VDOIAFLLEWHUJK-MRXNPFEDSA-N 0 0 325.368 3.296 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456682891 310417608 /nfs/dbraw/zinc/41/76/08/310417608.db2.gz ALZZRGXEHYSVRQ-GOSISDBHSA-N 0 0 332.400 3.163 10 5 EGBERN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458145313 310488095 /nfs/dbraw/zinc/48/80/95/310488095.db2.gz UQPOABFIKKEKQG-IUODEOHRSA-N 0 0 328.315 3.361 10 5 EGBERN CC(C)(C)C1CC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458711755 310517131 /nfs/dbraw/zinc/51/71/31/310517131.db2.gz ZODFHONUBBAZEV-UHFFFAOYSA-N 0 0 345.403 3.095 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000462498798 310600836 /nfs/dbraw/zinc/60/08/36/310600836.db2.gz GJEQJPJRAUSDQT-ZIAGYGMSSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CC23CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000462586294 310602045 /nfs/dbraw/zinc/60/20/45/310602045.db2.gz FMLRZCMFVIJMFM-AWEZNQCLSA-N 0 0 325.368 3.392 10 5 EGBERN O=C(C/C=C/c1cccc(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000470198310 310719927 /nfs/dbraw/zinc/71/99/27/310719927.db2.gz QKRFIYGHGFDIFQ-GQCTYLIASA-N 0 0 328.343 3.496 10 5 EGBERN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])O2 ZINC000476564147 310830800 /nfs/dbraw/zinc/83/08/00/310830800.db2.gz MURMMVKRKRXPMW-FZKQIMNGSA-N 0 0 340.379 3.474 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1ccc2c[nH]nc2c1 ZINC000487722491 311035405 /nfs/dbraw/zinc/03/54/05/311035405.db2.gz MDLMLMIUFUBICU-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN O=C(CCNc1c2ccccc2ncc1[N+](=O)[O-])Nc1ccccc1 ZINC000488057035 311049569 /nfs/dbraw/zinc/04/95/69/311049569.db2.gz LTAHRTPBYNBEPP-UHFFFAOYSA-N 0 0 336.351 3.006 10 5 EGBERN Cc1cccc(C(=O)N2CCc3ccc(F)c(F)c3C2)c1[N+](=O)[O-] ZINC000488955039 311086639 /nfs/dbraw/zinc/08/66/39/311086639.db2.gz YALKLAYVPFNFKU-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000494701056 311505433 /nfs/dbraw/zinc/50/54/33/311505433.db2.gz DWXNWJIGANJUDJ-QWHCGFSZSA-N 0 0 343.383 3.085 10 5 EGBERN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508779421 312102825 /nfs/dbraw/zinc/10/28/25/312102825.db2.gz ODUPSXJUGDBOJO-CQSZACIVSA-N 0 0 329.404 3.263 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1O ZINC000510052328 312131456 /nfs/dbraw/zinc/13/14/56/312131456.db2.gz BEVVDSLHRDFLST-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000512759013 312194385 /nfs/dbraw/zinc/19/43/85/312194385.db2.gz PWLHVLJALVXZIV-QJPTWQEYSA-N 0 0 344.458 3.294 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000514775465 312244555 /nfs/dbraw/zinc/24/45/55/312244555.db2.gz RCCHTNFFQIOCBB-PKNBQFBNSA-N 0 0 345.355 3.423 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000515392294 312280848 /nfs/dbraw/zinc/28/08/48/312280848.db2.gz QFBDSVRKTDWDOX-NJZAAPMLSA-N 0 0 347.415 3.490 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000520246089 312498004 /nfs/dbraw/zinc/49/80/04/312498004.db2.gz IINVYBDPYFLZCF-UHFFFAOYSA-N 0 0 334.397 3.260 10 5 EGBERN C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000520412053 312504773 /nfs/dbraw/zinc/50/47/73/312504773.db2.gz KZFLPXRSTPTOAQ-STQMWFEESA-N 0 0 335.404 3.073 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000520953072 312525537 /nfs/dbraw/zinc/52/55/37/312525537.db2.gz PNBUROVUPHDKAL-GUYCJALGSA-N 0 0 342.399 3.186 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000525768778 312751452 /nfs/dbraw/zinc/75/14/52/312751452.db2.gz LDGUWXAGKSWWBY-LBPRGKRZSA-N 0 0 331.372 3.317 10 5 EGBERN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137458 313759306 /nfs/dbraw/zinc/75/93/06/313759306.db2.gz PYSCLKYRGBNDKB-UHFFFAOYSA-N 0 0 327.218 3.141 10 5 EGBERN O=C(Nc1ccccc1CC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000532138649 313760156 /nfs/dbraw/zinc/76/01/56/313760156.db2.gz DVFUEHYCOSMEDH-UHFFFAOYSA-N 0 0 325.246 3.347 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000532388239 313792742 /nfs/dbraw/zinc/79/27/42/313792742.db2.gz AEELHAPWJRNYSO-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000536154356 314096527 /nfs/dbraw/zinc/09/65/27/314096527.db2.gz FJVWRRCQXVLJEA-IRXDYDNUSA-N 0 0 331.416 3.405 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000537554938 314188265 /nfs/dbraw/zinc/18/82/65/314188265.db2.gz VAEGIYRFZFWUCL-UHFFFAOYSA-N 0 0 325.796 3.423 10 5 EGBERN CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537804243 314210553 /nfs/dbraw/zinc/21/05/53/314210553.db2.gz YEVAXVTZUQCPOE-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000539239818 314302239 /nfs/dbraw/zinc/30/22/39/314302239.db2.gz ZSVFODMZXFSYTI-MEDUHNTESA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541035183 314430499 /nfs/dbraw/zinc/43/04/99/314430499.db2.gz PJFQNWCUJVHVJP-KDOFPFPSSA-N 0 0 331.416 3.359 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)c(O)c(C)c2)c1 ZINC000542042394 314514865 /nfs/dbraw/zinc/51/48/65/314514865.db2.gz VOKLLWKCXBFPCX-UHFFFAOYSA-N 0 0 330.340 3.316 10 5 EGBERN Nc1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)cc1[N+](=O)[O-] ZINC000544931515 314724875 /nfs/dbraw/zinc/72/48/75/314724875.db2.gz OTWMWGFONLUVAO-UHFFFAOYSA-N 0 0 340.314 3.446 10 5 EGBERN CCOc1cccc(N2CCN(CC(F)F)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000545869977 314786691 /nfs/dbraw/zinc/78/66/91/314786691.db2.gz JMOPZZOBNBGSEI-GFCCVEGCSA-N 0 0 343.374 3.159 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(-n4cccn4)c3)no2)c1 ZINC000546400829 314825146 /nfs/dbraw/zinc/82/51/46/314825146.db2.gz ZBDOYVMVFANPFT-UHFFFAOYSA-N 0 0 347.334 3.421 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(C2CCCCC2)n[nH]1 ZINC000548751470 315043173 /nfs/dbraw/zinc/04/31/73/315043173.db2.gz BEFPAMRFBFERNA-UHFFFAOYSA-N 0 0 342.399 3.338 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000549547096 315096404 /nfs/dbraw/zinc/09/64/04/315096404.db2.gz RTLNRXFRPLCYOD-CYBMUJFWSA-N 0 0 341.358 3.357 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551966873 315183387 /nfs/dbraw/zinc/18/33/87/315183387.db2.gz LOQYEGPSHINPCZ-HTQZYQBOSA-N 0 0 328.166 3.372 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc2ccccc2o1 ZINC000552314634 315212801 /nfs/dbraw/zinc/21/28/01/315212801.db2.gz XRBDSARTBQYZAK-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000553048318 315242882 /nfs/dbraw/zinc/24/28/82/315242882.db2.gz HPVDOMOCGFFKJS-CQSZACIVSA-N 0 0 345.399 3.497 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000554716831 315344718 /nfs/dbraw/zinc/34/47/18/315344718.db2.gz DBQRIKGBOZMBTK-FCHSOHFDSA-N 0 0 326.343 3.356 10 5 EGBERN Cc1ccc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)o1 ZINC000558410964 315565808 /nfs/dbraw/zinc/56/58/08/315565808.db2.gz DECFHSCBWSNLLB-UHFFFAOYSA-N 0 0 342.273 3.488 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000558992430 315613547 /nfs/dbraw/zinc/61/35/47/315613547.db2.gz PXCROZNSKFFGEN-CQSZACIVSA-N 0 0 337.445 3.409 10 5 EGBERN CCc1cnc(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)s1 ZINC000561206218 315749222 /nfs/dbraw/zinc/74/92/22/315749222.db2.gz ZBWUFLTYXFHVSG-UHFFFAOYSA-N 0 0 336.392 3.079 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC(c3ccccc3)C2)n1 ZINC000561345296 315757925 /nfs/dbraw/zinc/75/79/25/315757925.db2.gz TWFRSHJZNXXHNX-UHFFFAOYSA-N 0 0 341.367 3.382 10 5 EGBERN COC(=O)c1cc(OCCc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000561757934 315781008 /nfs/dbraw/zinc/78/10/08/315781008.db2.gz RCDBTVOCEMKRDE-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN CCCN(C(=O)c1nc(C)ncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000562518271 315844263 /nfs/dbraw/zinc/84/42/63/315844263.db2.gz NUOYYLPCNCVHNN-UHFFFAOYSA-N 0 0 334.763 3.403 10 5 EGBERN CCC[C@H]1[C@@H](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000563738750 316063566 /nfs/dbraw/zinc/06/35/66/316063566.db2.gz KIBJQPGXYVMGPO-FZMZJTMJSA-N 0 0 335.404 3.490 10 5 EGBERN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000565002721 316245757 /nfs/dbraw/zinc/24/57/57/316245757.db2.gz ZGXUBQXVCYNAEY-UHFFFAOYSA-N 0 0 348.399 3.113 10 5 EGBERN COC(=O)c1cc(C)nc(N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000566337477 316459057 /nfs/dbraw/zinc/45/90/57/316459057.db2.gz VOBXXGLLYHTEHT-BZPMIXESSA-N 0 0 333.388 3.242 10 5 EGBERN COc1cc(COc2ccc(CC[C@H](C)O)cc2)ccc1[N+](=O)[O-] ZINC000567601880 316641642 /nfs/dbraw/zinc/64/16/42/316641642.db2.gz GQNPBKLWNRXTTH-ZDUSSCGKSA-N 0 0 331.368 3.496 10 5 EGBERN Cc1ccc(F)cc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568320355 316758726 /nfs/dbraw/zinc/75/87/26/316758726.db2.gz SYCYLICHIHTCOT-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1ccc(CC(=O)N2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000568497237 316782384 /nfs/dbraw/zinc/78/23/84/316782384.db2.gz MIQOMVAPCSDUGU-UHFFFAOYSA-N 0 0 332.400 3.185 10 5 EGBERN CO[C@@H](C)c1cccc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569231969 316885307 /nfs/dbraw/zinc/88/53/07/316885307.db2.gz BSXNFOTVGXCREE-GUYCJALGSA-N 0 0 346.383 3.154 10 5 EGBERN C[C@H]1CC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570123675 317010998 /nfs/dbraw/zinc/01/09/98/317010998.db2.gz VREPMVQRAOBWEN-QWHCGFSZSA-N 0 0 344.415 3.354 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc2c1CCC2 ZINC000571203139 317166117 /nfs/dbraw/zinc/16/61/17/317166117.db2.gz QKDKYBAXYWXBBV-UHFFFAOYSA-N 0 0 333.365 3.279 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000571292150 317179907 /nfs/dbraw/zinc/17/99/07/317179907.db2.gz ZLEDHHJAMDRODV-PXAZEXFGSA-N 0 0 346.358 3.203 10 5 EGBERN O=c1[nH]cnc2cc(N3CC[C@H](CC(F)(F)F)C3)c([N+](=O)[O-])cc12 ZINC000572079322 317287151 /nfs/dbraw/zinc/28/71/51/317287151.db2.gz PEELTEWOMFKWKX-MRVPVSSYSA-N 0 0 342.277 3.022 10 5 EGBERN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2cccc(CCCO)c2)n1 ZINC000572451627 317339730 /nfs/dbraw/zinc/33/97/30/317339730.db2.gz ILYCIHWTVXXQLT-IRXDYDNUSA-N 0 0 344.415 3.312 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccc(C(=O)NC2CC2)c1 ZINC000573458649 317488563 /nfs/dbraw/zinc/48/85/63/317488563.db2.gz BYBHGDFTTDHKLX-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN CCC[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000574235052 317575492 /nfs/dbraw/zinc/57/54/92/317575492.db2.gz DIYMTUQNJNZWIC-LLVKDONJSA-N 0 0 326.343 3.454 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COCc1ccccc1 ZINC000171447203 323235413 /nfs/dbraw/zinc/23/54/13/323235413.db2.gz RZIDDAVCRGLXLJ-CYBMUJFWSA-N 0 0 326.352 3.089 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2ccccc2n1 ZINC000171446646 323235546 /nfs/dbraw/zinc/23/55/46/323235546.db2.gz KUARAABIPCYHQT-NSHDSACASA-N 0 0 334.335 3.129 10 5 EGBERN CCn1cc(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)cn1 ZINC000171639320 323243894 /nfs/dbraw/zinc/24/38/94/323243894.db2.gz BVSCBRUBFPDGLT-UHFFFAOYSA-N 0 0 332.379 3.330 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC3(CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC000172488690 323283803 /nfs/dbraw/zinc/28/38/03/323283803.db2.gz WEDAQUHYJWXDHO-UHFFFAOYSA-N 0 0 344.392 3.144 10 5 EGBERN Cc1ccc([C@@H](C)NCc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000181818872 323505755 /nfs/dbraw/zinc/50/57/55/323505755.db2.gz RBPJCVPFKNRKCQ-LLVKDONJSA-N 0 0 328.328 3.397 10 5 EGBERN Cc1csc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000184211574 323648239 /nfs/dbraw/zinc/64/82/39/323648239.db2.gz JJCSSLKVVMWMBG-JTQLQIEISA-N 0 0 345.384 3.261 10 5 EGBERN CCOc1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc1[N+](=O)[O-] ZINC000350605034 324104137 /nfs/dbraw/zinc/10/41/37/324104137.db2.gz XOZWDPQZGAZOIL-PWSUYJOCSA-N 0 0 333.344 3.184 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(-c3ccccc3)o2)n1 ZINC000350911869 324138440 /nfs/dbraw/zinc/13/84/40/324138440.db2.gz UGSOISXDQKXEFQ-UHFFFAOYSA-N 0 0 337.295 3.305 10 5 EGBERN COC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576759441 324677394 /nfs/dbraw/zinc/67/73/94/324677394.db2.gz HOKNBQNXAPFTBJ-DYVFJYSZSA-N 0 0 328.368 3.202 10 5 EGBERN C[C@H](C(=O)NC[C@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000576775179 324678760 /nfs/dbraw/zinc/67/87/60/324678760.db2.gz SREWGURWGZIEFF-UGSOOPFHSA-N 0 0 334.416 3.146 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cc([C@H]2CCCOC2)nn1C ZINC000577821771 324871222 /nfs/dbraw/zinc/87/12/22/324871222.db2.gz ZWUOZBSODCEVCI-AWEZNQCLSA-N 0 0 330.388 3.143 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1C ZINC000579113273 325064266 /nfs/dbraw/zinc/06/42/66/325064266.db2.gz QPWFSFDDBQLNHR-SNVBAGLBSA-N 0 0 331.376 3.365 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC(C)(C)CC1 ZINC000579648854 325138654 /nfs/dbraw/zinc/13/86/54/325138654.db2.gz MDLOYIMZZAGSGS-UHFFFAOYSA-N 0 0 329.404 3.407 10 5 EGBERN COCC1(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000579827649 325164143 /nfs/dbraw/zinc/16/41/43/325164143.db2.gz NYSOVNDZTZUABH-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN CC1(C2(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000580402603 325243854 /nfs/dbraw/zinc/24/38/54/325243854.db2.gz FPGXCHPRJUMKTN-UHFFFAOYSA-N 0 0 329.400 3.258 10 5 EGBERN COCc1nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cs1 ZINC000580711530 325287657 /nfs/dbraw/zinc/28/76/57/325287657.db2.gz FINJSCDCEMXECT-UHFFFAOYSA-N 0 0 334.401 3.084 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000580756454 325292157 /nfs/dbraw/zinc/29/21/57/325292157.db2.gz MLOWLWRTNZJLGH-CYBMUJFWSA-N 0 0 334.420 3.153 10 5 EGBERN Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610336 325376351 /nfs/dbraw/zinc/37/63/51/325376351.db2.gz JVDADPYSRSXFFX-WCQYABFASA-N 0 0 335.404 3.134 10 5 EGBERN Cc1cncn1C1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000583823332 325554593 /nfs/dbraw/zinc/55/45/93/325554593.db2.gz TWSSYMDQFCBYMK-UHFFFAOYSA-N 0 0 345.403 3.123 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000173223119 455250324 /nfs/dbraw/zinc/25/03/24/455250324.db2.gz AVRNELGLRIJHPY-HSZRJFAPSA-N 0 0 336.344 3.032 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CSCCOC2CCOCC2)c(F)c1 ZINC000600651649 460559206 /nfs/dbraw/zinc/55/92/06/460559206.db2.gz HAELJJHCUMXWAK-UHFFFAOYSA-N 0 0 333.356 3.302 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)c1nc2ccccc2s1 ZINC000000162549 452525311 /nfs/dbraw/zinc/52/53/11/452525311.db2.gz RLXJVCWHBHVJMS-UHFFFAOYSA-N 0 0 334.378 3.178 10 5 EGBERN COc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000000193963 452531573 /nfs/dbraw/zinc/53/15/73/452531573.db2.gz QGBKZJBVPXFYGH-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183707146 455323187 /nfs/dbraw/zinc/32/31/87/455323187.db2.gz HUHWJSCDXKJDKO-NXEZZACHSA-N 0 0 337.376 3.480 10 5 EGBERN CC(C)C(C(C)C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600701186 460572412 /nfs/dbraw/zinc/57/24/12/460572412.db2.gz NRVVKDTZOAWWME-QGZVFWFLSA-N 0 0 333.388 3.042 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000005747268 452899770 /nfs/dbraw/zinc/89/97/70/452899770.db2.gz FBEGCUCKOGNXBT-LBPRGKRZSA-N 0 0 330.340 3.318 10 5 EGBERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000007981042 453144890 /nfs/dbraw/zinc/14/48/90/453144890.db2.gz DFFIMJBQJUZGJA-SECBINFHSA-N 0 0 326.399 3.233 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600775976 460598275 /nfs/dbraw/zinc/59/82/75/460598275.db2.gz UVXWFSFZRSJVJV-MRXNPFEDSA-N 0 0 340.379 3.249 10 5 EGBERN COc1ccc2[nH]c(C(=O)c3cccc(OC)c3[N+](=O)[O-])cc2c1 ZINC000013471003 453465026 /nfs/dbraw/zinc/46/50/26/453465026.db2.gz CDNPBXPPVACBKZ-UHFFFAOYSA-N 0 0 326.308 3.324 10 5 EGBERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015390431 453572156 /nfs/dbraw/zinc/57/21/56/453572156.db2.gz BYZCDJYAYJSGKU-RMKNXTFCSA-N 0 0 328.324 3.264 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000017743293 453637733 /nfs/dbraw/zinc/63/77/33/453637733.db2.gz FRRAPIBAUGHGLE-UHFFFAOYSA-N 0 0 329.356 3.446 10 5 EGBERN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)cn1 ZINC000600815205 460613104 /nfs/dbraw/zinc/61/31/04/460613104.db2.gz YTVNOWPRYDQNNU-QGZVFWFLSA-N 0 0 341.367 3.188 10 5 EGBERN CCC(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000019009045 453653280 /nfs/dbraw/zinc/65/32/80/453653280.db2.gz LENHDTPWQGVHSW-UHFFFAOYSA-N 0 0 328.324 3.205 10 5 EGBERN COc1ccccc1-c1cc(COc2cccnc2[N+](=O)[O-])on1 ZINC000026254483 453795491 /nfs/dbraw/zinc/79/54/91/453795491.db2.gz YMSJNVLLSRRSKD-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000052606035 453838627 /nfs/dbraw/zinc/83/86/27/453838627.db2.gz QSJSNTDVSNHYCC-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN Nc1nc(N2CCC[C@@H]2[C@H]2CCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000075094129 453859714 /nfs/dbraw/zinc/85/97/14/453859714.db2.gz RSCBZQSDAFRKBX-LSDHHAIUSA-N 0 0 339.399 3.056 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053366806 453874400 /nfs/dbraw/zinc/87/44/00/453874400.db2.gz ZKQFYKGYOQUBKB-OAHLLOKOSA-N 0 0 345.330 3.081 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000053542048 453886166 /nfs/dbraw/zinc/88/61/66/453886166.db2.gz JLIGIRYFPIIZQH-LBPRGKRZSA-N 0 0 344.371 3.088 10 5 EGBERN Cc1noc(C)c1COC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000032747447 453888255 /nfs/dbraw/zinc/88/82/55/453888255.db2.gz FHONFUKWRNHZOQ-UHFFFAOYSA-N 0 0 333.344 3.135 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000075389400 453890134 /nfs/dbraw/zinc/89/01/34/453890134.db2.gz IRPFIXFKKKXZHE-OCCSQVGLSA-N 0 0 346.387 3.083 10 5 EGBERN O=[N+]([O-])c1sc2ccc(Cl)cc2c1NCCN1CCOCC1 ZINC000033894235 453918270 /nfs/dbraw/zinc/91/82/70/453918270.db2.gz WANNKAWYMJHVQQ-UHFFFAOYSA-N 0 0 341.820 3.207 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)ccc(OC)c1OC ZINC000034621002 453919980 /nfs/dbraw/zinc/91/99/80/453919980.db2.gz CDCIGIBCCKHEPR-UHFFFAOYSA-N 0 0 347.323 3.074 10 5 EGBERN Cc1ccccc1Cc1nc(COc2ccccc2[N+](=O)[O-])no1 ZINC000083090445 453938154 /nfs/dbraw/zinc/93/81/54/453938154.db2.gz AWHYECGNSMLFED-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000055682167 454005936 /nfs/dbraw/zinc/00/59/36/454005936.db2.gz XQMCBCSLANKYGZ-CQSZACIVSA-N 0 0 330.315 3.160 10 5 EGBERN COc1ccc2c(CC(=O)NCc3ccc([N+](=O)[O-])cc3)coc2c1 ZINC000055796760 454015428 /nfs/dbraw/zinc/01/54/28/454015428.db2.gz PRGGHOMGFMBRSJ-UHFFFAOYSA-N 0 0 340.335 3.209 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)nc1 ZINC000087034840 454058348 /nfs/dbraw/zinc/05/83/48/454058348.db2.gz MARYBTYOPBFAKH-UHFFFAOYSA-N 0 0 340.383 3.161 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H](C)CO ZINC000077227992 454078657 /nfs/dbraw/zinc/07/86/57/454078657.db2.gz PFWGAAXJJDCYQD-CHWSQXEVSA-N 0 0 328.368 3.255 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000077305151 454088065 /nfs/dbraw/zinc/08/80/65/454088065.db2.gz QSVJOIAOUQYWOE-HNNXBMFYSA-N 0 0 326.352 3.004 10 5 EGBERN Nc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000056981239 454093928 /nfs/dbraw/zinc/09/39/28/454093928.db2.gz RFZBUQIXZJZBKO-OAHLLOKOSA-N 0 0 343.358 3.163 10 5 EGBERN COc1ccc(CSCC(=O)N2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000077353079 454095724 /nfs/dbraw/zinc/09/57/24/454095724.db2.gz KKQCKSJBQPFNFU-UHFFFAOYSA-N 0 0 338.429 3.238 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC(c2ccccc2)C1 ZINC000077393502 454101878 /nfs/dbraw/zinc/10/18/78/454101878.db2.gz BSTABDBMBDLOMA-UHFFFAOYSA-N 0 0 346.408 3.128 10 5 EGBERN CCn1ccc(=O)nc1SCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000069538879 454117973 /nfs/dbraw/zinc/11/79/73/454117973.db2.gz VBNICGQUZQCHIN-UHFFFAOYSA-N 0 0 349.412 3.251 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069594762 454122376 /nfs/dbraw/zinc/12/23/76/454122376.db2.gz KNGPYPNIXCPECP-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1cccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000119539744 454202339 /nfs/dbraw/zinc/20/23/39/454202339.db2.gz DMISJGZLAQJYKA-UHFFFAOYSA-N 0 0 342.399 3.120 10 5 EGBERN O=C(CC1CCOCC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000095991440 454255762 /nfs/dbraw/zinc/25/57/62/454255762.db2.gz YPFTYNBYMHFSEA-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)c2ccoc2)CC1 ZINC000095995285 454256324 /nfs/dbraw/zinc/25/63/24/454256324.db2.gz QOPHQPQGWRMRRN-AWEZNQCLSA-N 0 0 343.383 3.015 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2C)cs1 ZINC000078475560 454259127 /nfs/dbraw/zinc/25/91/27/454259127.db2.gz YNBNZPVJHBAZED-LLVKDONJSA-N 0 0 336.417 3.489 10 5 EGBERN CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000060104714 454269628 /nfs/dbraw/zinc/26/96/28/454269628.db2.gz AXIDJHYKNFWTQT-INIZCTEOSA-N 0 0 342.351 3.019 10 5 EGBERN CC[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068397 454270846 /nfs/dbraw/zinc/27/08/46/454270846.db2.gz MFDRZKBLCQWPEE-HOTGVXAUSA-N 0 0 331.347 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)nc1 ZINC000120409081 454298680 /nfs/dbraw/zinc/29/86/80/454298680.db2.gz PWZDULKXDPBMRI-CYBMUJFWSA-N 0 0 334.763 3.086 10 5 EGBERN CC[C@H](NC(=O)N[C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090688095 454336430 /nfs/dbraw/zinc/33/64/30/454336430.db2.gz WBVDLIGBUHFDKD-ZFWWWQNUSA-N 0 0 337.420 3.142 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000073135808 454399383 /nfs/dbraw/zinc/39/93/83/454399383.db2.gz JUBGVDQNMGSAEJ-UHFFFAOYSA-N 0 0 335.747 3.069 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)n1 ZINC000097080914 454400470 /nfs/dbraw/zinc/40/04/70/454400470.db2.gz RQPMJJJXHNVWDQ-NSHDSACASA-N 0 0 347.400 3.166 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1n1ccnc1 ZINC000097162534 454419072 /nfs/dbraw/zinc/41/90/72/454419072.db2.gz GIKBJKBKEPCSNR-ABAIWWIYSA-N 0 0 348.790 3.168 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000073328289 454422783 /nfs/dbraw/zinc/42/27/83/454422783.db2.gz ALELQDRLHVWOSE-NSHDSACASA-N 0 0 345.742 3.313 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)s1 ZINC000064244889 454469030 /nfs/dbraw/zinc/46/90/30/454469030.db2.gz WGOANKAMNOSBSM-AWEZNQCLSA-N 0 0 338.410 3.086 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133939000 454484025 /nfs/dbraw/zinc/48/40/25/454484025.db2.gz GHNBXHOPEYNIEM-WDEREUQCSA-N 0 0 333.294 3.319 10 5 EGBERN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000103021473 454532605 /nfs/dbraw/zinc/53/26/05/454532605.db2.gz JHZBEDBEBJVQGU-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103376674 454551460 /nfs/dbraw/zinc/55/14/60/454551460.db2.gz CNNRILMTXGYSDK-LBPRGKRZSA-N 0 0 326.352 3.124 10 5 EGBERN COc1ccc2ccn(Cc3c(F)cccc3[N+](=O)[O-])c(=O)c2c1 ZINC000092333385 454551802 /nfs/dbraw/zinc/55/18/02/454551802.db2.gz GTCHPEXAOYZJMS-UHFFFAOYSA-N 0 0 328.299 3.106 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000122875491 454577449 /nfs/dbraw/zinc/57/74/49/454577449.db2.gz CNKINISWFPUAKV-OAHLLOKOSA-N 0 0 345.355 3.113 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)C1CCCCC1 ZINC000050508278 454588290 /nfs/dbraw/zinc/58/82/90/454588290.db2.gz MCAIJQYEGORCGR-AWEZNQCLSA-N 0 0 333.432 3.379 10 5 EGBERN CCc1oc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000123049818 454595342 /nfs/dbraw/zinc/59/53/42/454595342.db2.gz OFNABLRBZAIBMP-UHFFFAOYSA-N 0 0 343.383 3.021 10 5 EGBERN CCNC(=O)c1cccc(Oc2cc(OC)cc(F)c2[N+](=O)[O-])c1 ZINC000092631106 454596683 /nfs/dbraw/zinc/59/66/83/454596683.db2.gz ZQUGBOYGGSWHGY-UHFFFAOYSA-N 0 0 334.303 3.285 10 5 EGBERN COC(=O)c1cc(Oc2ncnc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000092653838 454601537 /nfs/dbraw/zinc/60/15/37/454601537.db2.gz AJBSQXMOLKMZEW-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN CN(Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1C(N)=O ZINC000080679083 454618198 /nfs/dbraw/zinc/61/81/98/454618198.db2.gz GLNYUAQULGIPCA-UHFFFAOYSA-N 0 0 325.324 3.076 10 5 EGBERN CCc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000051383608 454620763 /nfs/dbraw/zinc/62/07/63/454620763.db2.gz KBVMQCHASYSOPT-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCc4ccc(F)cc43)nn21 ZINC000092976544 454664050 /nfs/dbraw/zinc/66/40/50/454664050.db2.gz KXDFCNNURVRIRX-ZDUSSCGKSA-N 0 0 327.319 3.266 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2cnccc21 ZINC000074954276 454666777 /nfs/dbraw/zinc/66/67/77/454666777.db2.gz AYBQEWZGZJBUOZ-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cccc(C)c1[N+](=O)[O-] ZINC000124023327 454694179 /nfs/dbraw/zinc/69/41/79/454694179.db2.gz HMCJFGGAXLGDJQ-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000124387535 454727346 /nfs/dbraw/zinc/72/73/46/454727346.db2.gz OETYLNXWPDBZAJ-CYBMUJFWSA-N 0 0 334.401 3.044 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000136543491 454746896 /nfs/dbraw/zinc/74/68/96/454746896.db2.gz QJQLGXXANWKHFA-GFCCVEGCSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000153109673 454761012 /nfs/dbraw/zinc/76/10/12/454761012.db2.gz PXHPPLSZJVBIBF-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000176696896 454773060 /nfs/dbraw/zinc/77/30/60/454773060.db2.gz OAZCVWOFROGFPV-KRWDZBQOSA-N 0 0 342.399 3.325 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176792215 454783999 /nfs/dbraw/zinc/78/39/99/454783999.db2.gz LJMSRLCFOOUSOZ-AWEZNQCLSA-N 0 0 343.387 3.105 10 5 EGBERN CCc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000153375618 454787332 /nfs/dbraw/zinc/78/73/32/454787332.db2.gz QMDYYFHRDKCOEZ-UHFFFAOYSA-N 0 0 328.250 3.151 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000153519935 454802065 /nfs/dbraw/zinc/80/20/65/454802065.db2.gz PMYIXVRTCUKXHX-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000140434192 454820974 /nfs/dbraw/zinc/82/09/74/454820974.db2.gz HRNCLBUTDQZVLH-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000153794779 454833804 /nfs/dbraw/zinc/83/38/04/454833804.db2.gz UFTBVACHEHINQQ-ZBFHGGJFSA-N 0 0 343.387 3.405 10 5 EGBERN Cc1cccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000153926840 454847924 /nfs/dbraw/zinc/84/79/24/454847924.db2.gz RKDDMKGGLUNMOO-CQSZACIVSA-N 0 0 348.424 3.392 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000150789219 454892968 /nfs/dbraw/zinc/89/29/68/454892968.db2.gz ACYKXXMEKMFPFF-CHWSQXEVSA-N 0 0 338.429 3.466 10 5 EGBERN Cc1ncc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000150993076 454923350 /nfs/dbraw/zinc/92/33/50/454923350.db2.gz FKSZNFAKTNFUCY-UHFFFAOYSA-N 0 0 346.412 3.234 10 5 EGBERN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000151215688 454954504 /nfs/dbraw/zinc/95/45/04/454954504.db2.gz NTPPUZYFBCBXNP-SNVBAGLBSA-N 0 0 336.373 3.333 10 5 EGBERN C[C@H](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000127545608 454976201 /nfs/dbraw/zinc/97/62/01/454976201.db2.gz XUNBVOBOPRYRFS-XJZHNMMOSA-N 0 0 325.217 3.471 10 5 EGBERN COC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000170749377 454968858 /nfs/dbraw/zinc/96/88/58/454968858.db2.gz HQJFBJAXPSMODP-HNNXBMFYSA-N 0 0 345.355 3.113 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000151775857 455028800 /nfs/dbraw/zinc/02/88/00/455028800.db2.gz QZVRNOGQHRTEMV-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000151826433 455036149 /nfs/dbraw/zinc/03/61/49/455036149.db2.gz ZRUPEALNTQVHOI-UHFFFAOYSA-N 0 0 344.415 3.185 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000151835525 455036344 /nfs/dbraw/zinc/03/63/44/455036344.db2.gz LYAXWUMKFXWLQC-GTNSWQLSSA-N 0 0 344.342 3.198 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3cccc(Cl)c3)n2)c1=O ZINC000155793179 455046618 /nfs/dbraw/zinc/04/66/18/455046618.db2.gz ACWFNTSDZJUROC-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000171251735 455051281 /nfs/dbraw/zinc/05/12/81/455051281.db2.gz CDFNXLPTKNTPDU-UHFFFAOYSA-N 0 0 345.380 3.492 10 5 EGBERN C[C@@H](C(=O)N1CC(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612553737 460658859 /nfs/dbraw/zinc/65/88/59/460658859.db2.gz XEXSEECSMDNLBU-MRVPVSSYSA-N 0 0 334.269 3.248 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493821 455053291 /nfs/dbraw/zinc/05/32/91/455053291.db2.gz MZWBOFMEUKATRT-BMFZPTHFSA-N 0 0 340.807 3.017 10 5 EGBERN Cc1cc(C)cc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000152022191 455063087 /nfs/dbraw/zinc/06/30/87/455063087.db2.gz ORMRIGWMBWTHQY-UHFFFAOYSA-N 0 0 334.397 3.178 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCO2 ZINC000171387374 455066738 /nfs/dbraw/zinc/06/67/38/455066738.db2.gz HUZZXBYLJFIEBS-UHFFFAOYSA-N 0 0 327.340 3.242 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156100402 455081522 /nfs/dbraw/zinc/08/15/22/455081522.db2.gz QWVIECOHTRDGIN-GFCCVEGCSA-N 0 0 344.415 3.275 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000128810951 455084945 /nfs/dbraw/zinc/08/49/45/455084945.db2.gz CLLJFCQFASTTNQ-QGHHPUGFSA-N 0 0 342.326 3.015 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000156134036 455085383 /nfs/dbraw/zinc/08/53/83/455085383.db2.gz LKKMJHIKMWMFCV-UKRRQHHQSA-N 0 0 327.340 3.281 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccn(C2CCCC2)n1 ZINC000156396595 455112890 /nfs/dbraw/zinc/11/28/90/455112890.db2.gz LKDKTMBWRDXVHC-UHFFFAOYSA-N 0 0 342.399 3.155 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000152406406 455114570 /nfs/dbraw/zinc/11/45/70/455114570.db2.gz YBTZEXADWKDQFZ-UHFFFAOYSA-N 0 0 341.367 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000172687491 455172688 /nfs/dbraw/zinc/17/26/88/455172688.db2.gz FHQOQXMYMILHFF-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180520758 455188990 /nfs/dbraw/zinc/18/89/90/455188990.db2.gz VWNAPORPCYLVEH-SECBINFHSA-N 0 0 334.763 3.059 10 5 EGBERN CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183049367 455217656 /nfs/dbraw/zinc/21/76/56/455217656.db2.gz AAANGVJVOBFKJU-WFASDCNBSA-N 0 0 336.388 3.058 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000189549277 455217620 /nfs/dbraw/zinc/21/76/20/455217620.db2.gz MBWJGBABJRZQNB-ZDUSSCGKSA-N 0 0 343.383 3.415 10 5 EGBERN COC[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000183674768 455319153 /nfs/dbraw/zinc/31/91/53/455319153.db2.gz NKYYDZJYRMTKAC-SJKOYZFVSA-N 0 0 346.358 3.341 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1ccc([N+](=O)[O-])cc1C)n2C ZINC000184481471 455388570 /nfs/dbraw/zinc/38/85/70/455388570.db2.gz SZGSTZOBIUZAIA-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000159728465 455398196 /nfs/dbraw/zinc/39/81/96/455398196.db2.gz FUOVVAOKDGTGLZ-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN Cc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000174514830 455399690 /nfs/dbraw/zinc/39/96/90/455399690.db2.gz HMLCUEPOMINNQP-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSC[C@H]1c1nccs1 ZINC000184573049 455405889 /nfs/dbraw/zinc/40/58/89/455405889.db2.gz CVOVGOREXQPVFZ-ZDUSSCGKSA-N 0 0 349.437 3.290 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174664483 455410620 /nfs/dbraw/zinc/41/06/20/455410620.db2.gz ZFWQWYCNAGXBSE-JTQLQIEISA-N 0 0 332.360 3.075 10 5 EGBERN Cc1cc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000266831601 455459265 /nfs/dbraw/zinc/45/92/65/455459265.db2.gz HZYPOTPWDGFRGD-MLGOLLRUSA-N 0 0 331.347 3.404 10 5 EGBERN CN(CCOc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000175544806 455461400 /nfs/dbraw/zinc/46/14/00/455461400.db2.gz OCQKAWPGBOSWSP-UHFFFAOYSA-N 0 0 347.440 3.441 10 5 EGBERN Cc1nc(C2(NCc3cc(Cl)ccc3[N+](=O)[O-])CCCC2)no1 ZINC000266887587 455469615 /nfs/dbraw/zinc/46/96/15/455469615.db2.gz CJIXLFJVLZIURJ-UHFFFAOYSA-N 0 0 336.779 3.499 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(C)cc(C)cc32)n1 ZINC000191594223 455502134 /nfs/dbraw/zinc/50/21/34/455502134.db2.gz UKMZCSLTMQUFKA-UHFFFAOYSA-N 0 0 328.372 3.021 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)c2nn(CC)cc2[N+](=O)[O-])o1 ZINC000191633829 455505485 /nfs/dbraw/zinc/50/54/85/455505485.db2.gz BBUJXKQVMPXCAF-CYBMUJFWSA-N 0 0 346.387 3.334 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000246563532 455508388 /nfs/dbraw/zinc/50/83/88/455508388.db2.gz LSUQPCFNXKYQGS-KBMXLJTQSA-N 0 0 340.807 3.017 10 5 EGBERN COc1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000182425154 455511979 /nfs/dbraw/zinc/51/19/79/455511979.db2.gz LGADSCCAHGCCFO-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000160987666 455521290 /nfs/dbraw/zinc/52/12/90/455521290.db2.gz OWJODCXWZDDFRD-LLVKDONJSA-N 0 0 332.381 3.356 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)n1 ZINC000191829099 455523939 /nfs/dbraw/zinc/52/39/39/455523939.db2.gz UGBBGBFSXDXNHI-BXUZGUMPSA-N 0 0 346.362 3.174 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000182512714 455529977 /nfs/dbraw/zinc/52/99/77/455529977.db2.gz UPUFDDMZXBYLER-ZUZCIYMTSA-N 0 0 330.388 3.306 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000182668907 455564476 /nfs/dbraw/zinc/56/44/76/455564476.db2.gz VBAJVRLUBRFVOS-MALLOTDXSA-N 0 0 347.396 3.453 10 5 EGBERN CCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161420718 455568438 /nfs/dbraw/zinc/56/84/38/455568438.db2.gz QNEPSTFETWLQII-CYBMUJFWSA-N 0 0 336.388 3.143 10 5 EGBERN CCN1C(=O)CCc2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000185578999 455580574 /nfs/dbraw/zinc/58/05/74/455580574.db2.gz RFQBBVWIWFMMDO-UHFFFAOYSA-N 0 0 345.380 3.208 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000292296511 455621232 /nfs/dbraw/zinc/62/12/32/455621232.db2.gz MQQMRTLMPPFPGA-MRXNPFEDSA-N 0 0 341.358 3.193 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(CN3CCc4ccccc43)CC2)s1 ZINC000192453460 455621409 /nfs/dbraw/zinc/62/14/09/455621409.db2.gz JTTQOXNQKYNIOF-UHFFFAOYSA-N 0 0 344.440 3.330 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000268515493 455705130 /nfs/dbraw/zinc/70/51/30/455705130.db2.gz YATGAAYINVAKDH-CFVMTHIKSA-N 0 0 334.372 3.059 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292600689 455708420 /nfs/dbraw/zinc/70/84/20/455708420.db2.gz WAANFQPOQXVGGT-UHFFFAOYSA-N 0 0 325.796 3.307 10 5 EGBERN C[C@@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccccc1[N+](=O)[O-] ZINC000271678902 455720527 /nfs/dbraw/zinc/72/05/27/455720527.db2.gz JQHFNJUPGDDSFZ-LLVKDONJSA-N 0 0 346.387 3.441 10 5 EGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000277974381 455724270 /nfs/dbraw/zinc/72/42/70/455724270.db2.gz LUMLKHJBWPOAGJ-JQWIXIFHSA-N 0 0 326.780 3.196 10 5 EGBERN CC[C@@H](NC(=O)c1scnc1COC)c1cccc([N+](=O)[O-])c1 ZINC000284718186 455730415 /nfs/dbraw/zinc/73/04/15/455730415.db2.gz FOTRQVZGPXXKRS-GFCCVEGCSA-N 0 0 335.385 3.079 10 5 EGBERN O=C(NC1CC1)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000271755425 455747842 /nfs/dbraw/zinc/74/78/42/455747842.db2.gz XBRDPVFANULEME-UHFFFAOYSA-N 0 0 346.774 3.148 10 5 EGBERN CCCc1noc(CCCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271764451 455751394 /nfs/dbraw/zinc/75/13/94/455751394.db2.gz DNEVOUXRPNQRQC-GFCCVEGCSA-N 0 0 346.387 3.130 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)n(C)n1 ZINC000278097907 455757476 /nfs/dbraw/zinc/75/74/76/455757476.db2.gz WDTZOYVAMFZTEX-HNNXBMFYSA-N 0 0 329.404 3.026 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CSc1ccccc1C ZINC000193578637 455765878 /nfs/dbraw/zinc/76/58/78/455765878.db2.gz OFMIDSRLKQBCRQ-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN COc1ccc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000285067898 455784872 /nfs/dbraw/zinc/78/48/72/455784872.db2.gz JDXKOUSOBHHJGS-SNVBAGLBSA-N 0 0 347.371 3.376 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000272141912 455857420 /nfs/dbraw/zinc/85/74/20/455857420.db2.gz UTPMBFHGBFHQRP-ZBFHGGJFSA-N 0 0 334.416 3.026 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000195142715 455927246 /nfs/dbraw/zinc/92/72/46/455927246.db2.gz CWUHVWAPCPRPCE-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN Cc1c(NC(=O)C2CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000280441441 455972135 /nfs/dbraw/zinc/97/21/35/455972135.db2.gz BZQAOEYUDGUCFU-UHFFFAOYSA-N 0 0 343.177 3.031 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000188089671 455993891 /nfs/dbraw/zinc/99/38/91/455993891.db2.gz CGDQOIOJSIGQPZ-ZDUSSCGKSA-N 0 0 348.790 3.415 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000188131772 456004997 /nfs/dbraw/zinc/00/49/97/456004997.db2.gz JZNQITVPUYTGGI-YSVLISHTSA-N 0 0 334.416 3.047 10 5 EGBERN O=c1cc(C2CC2)nc(SCCOc2ccccc2[N+](=O)[O-])[nH]1 ZINC000188145368 456008326 /nfs/dbraw/zinc/00/83/26/456008326.db2.gz YUHYUAAULSKQTB-UHFFFAOYSA-N 0 0 333.369 3.139 10 5 EGBERN Cc1nc(NCC2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296745186 456027330 /nfs/dbraw/zinc/02/73/30/456027330.db2.gz KCYLULQPDYMIOP-UHFFFAOYSA-N 0 0 327.388 3.022 10 5 EGBERN C[C@H](CC(C)(C)O)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000296800897 456041244 /nfs/dbraw/zinc/04/12/44/456041244.db2.gz FBMBDDRGIIDEKQ-GFCCVEGCSA-N 0 0 338.407 3.373 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCC2(CC2)CC1 ZINC000296855425 456054553 /nfs/dbraw/zinc/05/45/53/456054553.db2.gz TYZVNLSWJUQGPO-UHFFFAOYSA-N 0 0 330.384 3.397 10 5 EGBERN CCOc1ccccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601105749 460712203 /nfs/dbraw/zinc/71/22/03/460712203.db2.gz GLEYKQJTFUFWFU-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270985996 456087325 /nfs/dbraw/zinc/08/73/25/456087325.db2.gz JXZZEHLIQGIJLN-UHFFFAOYSA-N 0 0 336.779 3.359 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)c1ccc(C)cc1 ZINC000301331166 456092653 /nfs/dbraw/zinc/09/26/53/456092653.db2.gz AIXOQILAPVWJGJ-CYBMUJFWSA-N 0 0 327.384 3.478 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000297077744 456111962 /nfs/dbraw/zinc/11/19/62/456111962.db2.gz ZINJMCNHXAUUNE-GXTWGEPZSA-N 0 0 341.314 3.112 10 5 EGBERN CCC[C@@H]1C[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301426518 456112573 /nfs/dbraw/zinc/11/25/73/456112573.db2.gz GZOAIHOSRBHQJW-ZWNOBZJWSA-N 0 0 348.790 3.395 10 5 EGBERN CCSCc1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000301425184 456112819 /nfs/dbraw/zinc/11/28/19/456112819.db2.gz OTTBBNWYIGRBJO-UHFFFAOYSA-N 0 0 332.385 3.085 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281049287 456120147 /nfs/dbraw/zinc/12/01/47/456120147.db2.gz GGWWHZSNABCFLL-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN COc1ccccc1N1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601110094 460714769 /nfs/dbraw/zinc/71/47/69/460714769.db2.gz ZGBGIODBLZFILH-GFCCVEGCSA-N 0 0 346.362 3.076 10 5 EGBERN O=C1C[C@H](CNc2ccccc2[N+](=O)[O-])CN1CCc1ccccc1 ZINC000301576815 456150218 /nfs/dbraw/zinc/15/02/18/456150218.db2.gz QREPFVPODMRZTR-MRXNPFEDSA-N 0 0 339.395 3.098 10 5 EGBERN Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c(C)c1 ZINC000301706375 456193177 /nfs/dbraw/zinc/19/31/77/456193177.db2.gz VPJRHMZFWFOPTJ-UHFFFAOYSA-N 0 0 327.340 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000281315183 456199652 /nfs/dbraw/zinc/19/96/52/456199652.db2.gz PQGPRWIXLHQOCC-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)nc1 ZINC000301834541 456227483 /nfs/dbraw/zinc/22/74/83/456227483.db2.gz KKMOAUDIYHHDCW-CQSZACIVSA-N 0 0 336.355 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000301877378 456238705 /nfs/dbraw/zinc/23/87/05/456238705.db2.gz HBIKMJZQLMOVPU-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1O ZINC000301960026 456259508 /nfs/dbraw/zinc/25/95/08/456259508.db2.gz PXKVJOUHVLHRKY-FZKQIMNGSA-N 0 0 340.379 3.033 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[C@]34CCCc3ccccc34)nn21 ZINC000301968211 456260999 /nfs/dbraw/zinc/26/09/99/456260999.db2.gz PHGFWKPAKYYSGY-IFXJQAMLSA-N 0 0 349.394 3.344 10 5 EGBERN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc([N+](=O)[O-])c1 ZINC000301978315 456263399 /nfs/dbraw/zinc/26/33/99/456263399.db2.gz WWTFVPPMRPXUJS-GFCCVEGCSA-N 0 0 342.315 3.109 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCc3cccc(Cl)c3)nn21 ZINC000302006126 456268598 /nfs/dbraw/zinc/26/85/98/456268598.db2.gz UAYGFGCYNBVBQG-UHFFFAOYSA-N 0 0 331.763 3.336 10 5 EGBERN C[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000302053896 456276585 /nfs/dbraw/zinc/27/65/85/456276585.db2.gz PUSDPLALTVAUDB-MEDUHNTESA-N 0 0 334.397 3.115 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000297720851 456279531 /nfs/dbraw/zinc/27/95/31/456279531.db2.gz JRCTXKKWFWKBMY-HNNXBMFYSA-N 0 0 346.387 3.404 10 5 EGBERN COc1cc(CN2CCN(C)c3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000352770379 456292111 /nfs/dbraw/zinc/29/21/11/456292111.db2.gz MMNSJPBAWFMRKM-UHFFFAOYSA-N 0 0 331.347 3.199 10 5 EGBERN COc1cc2c(cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)OCO2 ZINC000352775591 456295125 /nfs/dbraw/zinc/29/51/25/456295125.db2.gz LHFOVKZMPODRIE-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302147530 456298498 /nfs/dbraw/zinc/29/84/98/456298498.db2.gz IRLOCLFRGAFEDF-UHFFFAOYSA-N 0 0 340.330 3.201 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCOCC1CC1 ZINC000275741353 456301150 /nfs/dbraw/zinc/30/11/50/456301150.db2.gz CCDMLYQLQDTBCJ-UHFFFAOYSA-N 0 0 326.780 3.055 10 5 EGBERN O=C(Nc1ccc(OC(F)F)cn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000347681281 456301829 /nfs/dbraw/zinc/30/18/29/456301829.db2.gz GSWYYYUCAHOKPQ-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000302205683 456317103 /nfs/dbraw/zinc/31/71/03/456317103.db2.gz WZOUIOVGDLQCNO-UHFFFAOYSA-N 0 0 343.339 3.108 10 5 EGBERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000342987139 456338574 /nfs/dbraw/zinc/33/85/74/456338574.db2.gz DUCCYHXRMBCWLC-GFCCVEGCSA-N 0 0 335.747 3.220 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000343055514 456374694 /nfs/dbraw/zinc/37/46/94/456374694.db2.gz UAWUTDWXTAWPMJ-OCCSQVGLSA-N 0 0 345.330 3.192 10 5 EGBERN C[C@](CO)(NCc1cnc(C2CCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000601148930 460732516 /nfs/dbraw/zinc/73/25/16/460732516.db2.gz HQNBACUGPCDJMU-QGZVFWFLSA-N 0 0 347.440 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(OC[C@H](O)CC(F)(F)F)c1 ZINC000276181710 456407910 /nfs/dbraw/zinc/40/79/10/456407910.db2.gz GUMIXYJGAOOLKO-SSDOTTSWSA-N 0 0 344.083 3.049 10 5 EGBERN COc1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000353107495 456494053 /nfs/dbraw/zinc/49/40/53/456494053.db2.gz CNCMXTSBMXORBV-UHFFFAOYSA-N 0 0 348.359 3.019 10 5 EGBERN Nc1c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000353142164 456517881 /nfs/dbraw/zinc/51/78/81/456517881.db2.gz RQQTVAHDIGLANN-LBPRGKRZSA-N 0 0 345.786 3.460 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000337743559 456518904 /nfs/dbraw/zinc/51/89/04/456518904.db2.gz SIWCVRZKOOQSHE-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN COCCC1(C)CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000291169595 456553165 /nfs/dbraw/zinc/55/31/65/456553165.db2.gz ZBIKRDQKULKXFS-ZDUSSCGKSA-N 0 0 335.404 3.032 10 5 EGBERN CC(C)Oc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccn1 ZINC000348241610 456562839 /nfs/dbraw/zinc/56/28/39/456562839.db2.gz CZSCJHPQRCUZRI-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN CO[C@H]1CCCC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000340611828 456570984 /nfs/dbraw/zinc/57/09/84/456570984.db2.gz DDLIRAXBZBJGSN-DOMZBBRYSA-N 0 0 346.387 3.305 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nnc2n1CCCCC2 ZINC000291564088 456681129 /nfs/dbraw/zinc/68/11/29/456681129.db2.gz CUTBFKNIJDOSJJ-UHFFFAOYSA-N 0 0 338.371 3.073 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2nccn3ccnc23)cc1[N+](=O)[O-] ZINC000353419229 456689069 /nfs/dbraw/zinc/68/90/69/456689069.db2.gz BLKAGXKKYGSUPS-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000353482887 456705234 /nfs/dbraw/zinc/70/52/34/456705234.db2.gz PEJJTQHMVLNQOH-RYUDHWBXSA-N 0 0 330.306 3.232 10 5 EGBERN Cc1cc(-c2nnc(CN3CCc4c3cccc4[N+](=O)[O-])o2)c(C)o1 ZINC000353549805 456751421 /nfs/dbraw/zinc/75/14/21/456751421.db2.gz PNVRHPJMXWHGKW-UHFFFAOYSA-N 0 0 340.339 3.417 10 5 EGBERN COc1cc(CN[C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000348575202 456774682 /nfs/dbraw/zinc/77/46/82/456774682.db2.gz LTYZSUYLKFQTLY-SNVBAGLBSA-N 0 0 334.376 3.135 10 5 EGBERN CN(CC(F)(F)F)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348576767 456776018 /nfs/dbraw/zinc/77/60/18/456776018.db2.gz PDDFBBZHOYGKPB-UHFFFAOYSA-N 0 0 330.184 3.248 10 5 EGBERN Cc1ccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301105347 456797931 /nfs/dbraw/zinc/79/79/31/456797931.db2.gz QCEOHTYOWXQFME-VIFPVBQESA-N 0 0 333.369 3.469 10 5 EGBERN CCN(c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1)C(C)C ZINC000301118127 456801339 /nfs/dbraw/zinc/80/13/39/456801339.db2.gz ZCZLHGUYLJNDIH-UHFFFAOYSA-N 0 0 343.387 3.067 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610617 456801686 /nfs/dbraw/zinc/80/16/86/456801686.db2.gz XEQLTWPTTGYPHU-HZPDHXFCSA-N 0 0 326.400 3.340 10 5 EGBERN C[C@@H](NC(=O)Nc1cn(C)nc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000292018828 456832743 /nfs/dbraw/zinc/83/27/43/456832743.db2.gz JNMYZCKXCPOYJA-SNVBAGLBSA-N 0 0 329.360 3.088 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000341727885 456918130 /nfs/dbraw/zinc/91/81/30/456918130.db2.gz OKDGJGPNASKXQF-SSDOTTSWSA-N 0 0 331.191 3.049 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cnc(CC2CC2)nc1 ZINC000341745044 456924408 /nfs/dbraw/zinc/92/44/08/456924408.db2.gz YHVMQJDVHFTTKE-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN O=C(Nc1csc(-c2ccccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000353939005 456973347 /nfs/dbraw/zinc/97/33/47/456973347.db2.gz LHPFBISKBMDYEE-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN C[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000341917542 456999369 /nfs/dbraw/zinc/99/93/69/456999369.db2.gz LJFAZDBTTZOMJW-GFCCVEGCSA-N 0 0 329.356 3.203 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] ZINC000341927054 457005455 /nfs/dbraw/zinc/00/54/55/457005455.db2.gz KKGCUPPXQHSCDT-SNVBAGLBSA-N 0 0 333.344 3.468 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(-n4ccnc4)c3)no2)c1 ZINC000356607888 457082123 /nfs/dbraw/zinc/08/21/23/457082123.db2.gz ZBECBHIHFXXXAC-UHFFFAOYSA-N 0 0 347.334 3.421 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)c(F)cc1F ZINC000342067883 457089928 /nfs/dbraw/zinc/08/99/28/457089928.db2.gz ORELXYSDMIDPNS-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN CCOc1cccc(NCc2nccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000359705513 457121713 /nfs/dbraw/zinc/12/17/13/457121713.db2.gz HIYSQVSZVXBZGR-UHFFFAOYSA-N 0 0 344.293 3.364 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000331114984 457135056 /nfs/dbraw/zinc/13/50/56/457135056.db2.gz JWJCXXPMAHFDBT-AWEZNQCLSA-N 0 0 344.383 3.016 10 5 EGBERN C[C@H]1COCC[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000346884155 457188061 /nfs/dbraw/zinc/18/80/61/457188061.db2.gz QLQQZXSFQSODQT-GXFFZTMASA-N 0 0 342.355 3.190 10 5 EGBERN COC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000339728408 457236826 /nfs/dbraw/zinc/23/68/26/457236826.db2.gz CCHKCVPHAIOOAY-HNNXBMFYSA-N 0 0 339.351 3.194 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000360075965 457241095 /nfs/dbraw/zinc/24/10/95/457241095.db2.gz WCNNEDCWSXVCRC-IIYDPXPESA-N 0 0 338.379 3.205 10 5 EGBERN COc1ncc(CSCCOc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000356962473 457244922 /nfs/dbraw/zinc/24/49/22/457244922.db2.gz UGVRUYAHNWAEES-UHFFFAOYSA-N 0 0 335.385 3.014 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000342364250 457257376 /nfs/dbraw/zinc/25/73/76/457257376.db2.gz VTRFMZDXCUOGLI-LLVKDONJSA-N 0 0 329.360 3.137 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC(c3ccccc3F)C2)s1 ZINC000360104731 457257884 /nfs/dbraw/zinc/25/78/84/457257884.db2.gz NEPGBRNUPDOIKT-UHFFFAOYSA-N 0 0 330.344 3.342 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC1(C)C ZINC000339816714 457287273 /nfs/dbraw/zinc/28/72/73/457287273.db2.gz VERAMKNLOAZBNA-NSHDSACASA-N 0 0 327.178 3.194 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000360642240 457322487 /nfs/dbraw/zinc/32/24/87/457322487.db2.gz NUWJWVXSHVPWAA-CYBMUJFWSA-N 0 0 347.396 3.176 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000354859823 457323969 /nfs/dbraw/zinc/32/39/69/457323969.db2.gz ZLSQKGZJRJXKON-UHFFFAOYSA-N 0 0 335.385 3.106 10 5 EGBERN CC[C@@](C)(OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347290008 457333783 /nfs/dbraw/zinc/33/37/83/457333783.db2.gz LSVYPCYGRQZXHA-GFCCVEGCSA-N 0 0 331.166 3.111 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000352218611 457349709 /nfs/dbraw/zinc/34/97/09/457349709.db2.gz YDJNNHSZACUZRZ-SCZZXKLOSA-N 0 0 341.289 3.489 10 5 EGBERN COc1c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000357156843 457350437 /nfs/dbraw/zinc/35/04/37/457350437.db2.gz ZDLONCOFRXESEZ-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN CC(C)C(=O)Nc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000342537528 457355768 /nfs/dbraw/zinc/35/57/68/457355768.db2.gz FIEHRKFBWGEUNX-UHFFFAOYSA-N 0 0 341.367 3.466 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccccc1Cl ZINC000360920188 457432674 /nfs/dbraw/zinc/43/26/74/457432674.db2.gz YPPNGSQTQSTHEL-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN COc1cnc(NCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000352533978 457444718 /nfs/dbraw/zinc/44/47/18/457444718.db2.gz BUNUGXZYDCHNBW-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000342688986 457458503 /nfs/dbraw/zinc/45/85/03/457458503.db2.gz HSLLPJRNAMQZGO-OAHLLOKOSA-N 0 0 327.319 3.064 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556196 457464632 /nfs/dbraw/zinc/46/46/32/457464632.db2.gz WPDLLEUDNSLKBK-CABCVRRESA-N 0 0 340.301 3.197 10 5 EGBERN COc1ccc(C[C@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)cc1 ZINC000360990988 457495400 /nfs/dbraw/zinc/49/54/00/457495400.db2.gz POYZQOMIUWEHEH-OAHLLOKOSA-N 0 0 327.384 3.458 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374213770 457525022 /nfs/dbraw/zinc/52/50/22/457525022.db2.gz VQSVIWKUFDLJQH-CQSZACIVSA-N 0 0 330.315 3.027 10 5 EGBERN Cc1ccc(C[C@H](C)C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352685771 457528851 /nfs/dbraw/zinc/52/88/51/457528851.db2.gz NVLLAPJEBAUUQZ-AWEZNQCLSA-N 0 0 339.395 3.062 10 5 EGBERN CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000408450403 457571298 /nfs/dbraw/zinc/57/12/98/457571298.db2.gz JCMHPODOYDJRCE-UHFFFAOYSA-N 0 0 330.388 3.399 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408516384 457575695 /nfs/dbraw/zinc/57/56/95/457575695.db2.gz UUNJYFPBBGLHNO-WQVCFCJDSA-N 0 0 340.807 3.005 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000364428182 457600847 /nfs/dbraw/zinc/60/08/47/457600847.db2.gz VZPVAMQJEVONNP-QGZVFWFLSA-N 0 0 326.352 3.117 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425616636 457614152 /nfs/dbraw/zinc/61/41/52/457614152.db2.gz IQAIRQKCYNLTLL-FUHWJXTLSA-N 0 0 343.358 3.374 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000410151576 457632236 /nfs/dbraw/zinc/63/22/36/457632236.db2.gz RNWFUZYVJCQHHN-SHTZXODSSA-N 0 0 340.379 3.344 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC(c2nc3ccccc3s2)C1 ZINC000357686959 457655975 /nfs/dbraw/zinc/65/59/75/457655975.db2.gz JYEKDLWAPIOVCY-UHFFFAOYSA-N 0 0 329.337 3.037 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374606724 457670800 /nfs/dbraw/zinc/67/08/00/457670800.db2.gz CNXPWYGSBANBLA-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN Cc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374665247 457684094 /nfs/dbraw/zinc/68/40/94/457684094.db2.gz URLGJDFXGCBRNI-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374714284 457692416 /nfs/dbraw/zinc/69/24/16/457692416.db2.gz XJVREWDCKPBHEG-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000374952096 457739072 /nfs/dbraw/zinc/73/90/72/457739072.db2.gz KHRAELSERNZVJP-UHFFFAOYSA-N 0 0 342.351 3.273 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cc2[nH]ccc21 ZINC000425962045 457746922 /nfs/dbraw/zinc/74/69/22/457746922.db2.gz GDMORYZGZWDJDQ-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000425963545 457748314 /nfs/dbraw/zinc/74/83/14/457748314.db2.gz ALKQOBGHRVZXEZ-INIZCTEOSA-N 0 0 345.374 3.481 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCc2ncccc2C1 ZINC000371002860 457755758 /nfs/dbraw/zinc/75/57/58/457755758.db2.gz FBOWSXAHCDZHGO-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000358129979 457803830 /nfs/dbraw/zinc/80/38/30/457803830.db2.gz VFMBCKPTVHVREN-JSGCOSHPSA-N 0 0 346.362 3.016 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158189 457814737 /nfs/dbraw/zinc/81/47/37/457814737.db2.gz IDPDPHQDWBYNJJ-OAHLLOKOSA-N 0 0 349.362 3.130 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000443952372 457829168 /nfs/dbraw/zinc/82/91/68/457829168.db2.gz ZDAWCUSFHBUIFB-CYBMUJFWSA-N 0 0 349.822 3.371 10 5 EGBERN CCOC(=O)CC1(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCCC1 ZINC000433594623 457855788 /nfs/dbraw/zinc/85/57/88/457855788.db2.gz ZHLIUBOEGNDPHG-UHFFFAOYSA-N 0 0 349.387 3.291 10 5 EGBERN CCOc1cccc(NC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000358228113 457872232 /nfs/dbraw/zinc/87/22/32/457872232.db2.gz BVWQUPQHUNCDEA-GFCCVEGCSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361841748 457901109 /nfs/dbraw/zinc/90/11/09/457901109.db2.gz GRRQVULUSLVHQR-OLZOCXBDSA-N 0 0 326.418 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c(Cl)c1 ZINC000375406331 457919079 /nfs/dbraw/zinc/91/90/79/457919079.db2.gz TXWMLHSPKMFGEQ-LBPRGKRZSA-N 0 0 348.790 3.498 10 5 EGBERN COc1cc(C(=O)N(C)Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000434001103 457929719 /nfs/dbraw/zinc/92/97/19/457929719.db2.gz GYQWZWCVGAJAMA-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1cc(C)cc(CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000444692030 457940799 /nfs/dbraw/zinc/94/07/99/457940799.db2.gz KULZCJQKSRBXEW-UHFFFAOYSA-N 0 0 341.411 3.306 10 5 EGBERN CCc1n[nH]c(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000367425224 457954982 /nfs/dbraw/zinc/95/49/82/457954982.db2.gz BTDNLIJHKXWMBA-UHFFFAOYSA-N 0 0 335.795 3.313 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nccs3)c2)n1 ZINC000427252456 457967993 /nfs/dbraw/zinc/96/79/93/457967993.db2.gz WTYMXMAUBJHDDB-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)Cc1ccccc1F ZINC000444917543 457996166 /nfs/dbraw/zinc/99/61/66/457996166.db2.gz DVOKHFYREXMXHX-LLVKDONJSA-N 0 0 347.346 3.495 10 5 EGBERN O=C(NCCc1cscn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444971551 458002016 /nfs/dbraw/zinc/00/20/16/458002016.db2.gz YPYDKYBFQVGUMO-UHFFFAOYSA-N 0 0 349.415 3.110 10 5 EGBERN CC[C@@H](C)n1ncc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1C1CC1 ZINC000427715481 458026554 /nfs/dbraw/zinc/02/65/54/458026554.db2.gz ZBXZHPHZCMTETM-SNVBAGLBSA-N 0 0 346.391 3.108 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458449251 458054089 /nfs/dbraw/zinc/05/40/89/458054089.db2.gz GMNYXZYQQFGOOT-UHFFFAOYSA-N 0 0 341.358 3.260 10 5 EGBERN CO[C@@](C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000362278372 458075069 /nfs/dbraw/zinc/07/50/69/458075069.db2.gz JBNFUMMHNWMIEA-CYBMUJFWSA-N 0 0 343.177 3.111 10 5 EGBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000428095002 458078835 /nfs/dbraw/zinc/07/88/35/458078835.db2.gz XEVGRYCJNITREG-HNNXBMFYSA-N 0 0 334.759 3.252 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000446023652 458129055 /nfs/dbraw/zinc/12/90/55/458129055.db2.gz HISCCOMUVKISKE-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-] ZINC000412279418 458152670 /nfs/dbraw/zinc/15/26/70/458152670.db2.gz YLJWPXZJWQPYKB-ZDUSSCGKSA-N 0 0 336.388 3.069 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412282712 458154647 /nfs/dbraw/zinc/15/46/47/458154647.db2.gz WKZHWHOWHXIKAF-FCEWJHQRSA-N 0 0 346.427 3.146 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022445 458167118 /nfs/dbraw/zinc/16/71/18/458167118.db2.gz SQLVUDOBPZYIGI-CZUORRHYSA-N 0 0 340.807 3.018 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(C2CCCC2)n1 ZINC000358742901 458185910 /nfs/dbraw/zinc/18/59/10/458185910.db2.gz KMUOWPLCDQVCAE-LBPRGKRZSA-N 0 0 340.383 3.498 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2cccc(F)c2F)CC1 ZINC000372223060 458238341 /nfs/dbraw/zinc/23/83/41/458238341.db2.gz PYRQHUDWUIWOLJ-UHFFFAOYSA-N 0 0 347.321 3.288 10 5 EGBERN CO[C@](C)([C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000412598870 458245832 /nfs/dbraw/zinc/24/58/32/458245832.db2.gz QGIAPPHVXVLFNV-BMLIUANNSA-N 0 0 331.372 3.010 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000446980930 458253845 /nfs/dbraw/zinc/25/38/45/458253845.db2.gz VFQVQDWGLNEDTC-ZDUSSCGKSA-N 0 0 344.415 3.453 10 5 EGBERN CCOC(=O)c1c(C)onc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429257809 458300447 /nfs/dbraw/zinc/30/04/47/458300447.db2.gz FSKKRTIVGDUGAF-UHFFFAOYSA-N 0 0 347.371 3.093 10 5 EGBERN Cc1ccc(C)c(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000429290003 458309264 /nfs/dbraw/zinc/30/92/64/458309264.db2.gz DCEHUTHVFGHZGF-UHFFFAOYSA-N 0 0 327.384 3.282 10 5 EGBERN CCC(CC)[C@H]1C[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671394 458327920 /nfs/dbraw/zinc/32/79/20/458327920.db2.gz MMRWQRXCDQACJK-BLLLJJGKSA-N 0 0 332.404 3.289 10 5 EGBERN COc1ccccc1C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447681971 458328838 /nfs/dbraw/zinc/32/88/38/458328838.db2.gz UHYIZLPNIXKPRC-UHFFFAOYSA-N 0 0 338.367 3.045 10 5 EGBERN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1c(C)nn(C)c1C ZINC000430215154 458423368 /nfs/dbraw/zinc/42/33/68/458423368.db2.gz DGWKBOKWNOAZBR-OAHLLOKOSA-N 0 0 332.404 3.195 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000437377097 458449651 /nfs/dbraw/zinc/44/96/51/458449651.db2.gz YCGWKTGAYWIAKF-KGLIPLIRSA-N 0 0 348.305 3.482 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000373362266 458471606 /nfs/dbraw/zinc/47/16/06/458471606.db2.gz NIXYPPSCWGKUEZ-KICKTSRDSA-N 0 0 344.411 3.320 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(C1)Oc1ccccc1O2 ZINC000377162735 458479268 /nfs/dbraw/zinc/47/92/68/458479268.db2.gz UXUJZRBESGZZGJ-UHFFFAOYSA-N 0 0 340.335 3.175 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)[C@H](C)O1 ZINC000437913934 458510998 /nfs/dbraw/zinc/51/09/98/458510998.db2.gz GYQZAGSSRDRQFI-BBBLOLIVSA-N 0 0 327.768 3.278 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc2c(c1)OCC(=O)N2 ZINC000468636957 458529530 /nfs/dbraw/zinc/52/95/30/458529530.db2.gz GCXYZBPZOGEUDR-KPKJPENVSA-N 0 0 339.351 3.441 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(F)c1F ZINC000431170878 458538542 /nfs/dbraw/zinc/53/85/42/458538542.db2.gz CXSMEKYVPCFNQK-UHFFFAOYSA-N 0 0 346.286 3.121 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000438404392 458575857 /nfs/dbraw/zinc/57/58/57/458575857.db2.gz SHADDHVLCVDKSE-VOAKCMCISA-N 0 0 338.429 3.100 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000469684380 458584287 /nfs/dbraw/zinc/58/42/87/458584287.db2.gz ICQYUUHLPORHTL-HALDLXJZSA-N 0 0 331.416 3.258 10 5 EGBERN Cc1c(NC(=O)c2cccc(C(=O)NC3CC3)c2)cccc1[N+](=O)[O-] ZINC000438976938 458636240 /nfs/dbraw/zinc/63/62/40/458636240.db2.gz JMUZZIIDVFERGU-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000546718885 458665203 /nfs/dbraw/zinc/66/52/03/458665203.db2.gz NFYRKGTUBYQRGL-UHFFFAOYSA-N 0 0 339.351 3.065 10 5 EGBERN C/C=C/C[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)OCC ZINC000463392925 458694637 /nfs/dbraw/zinc/69/46/37/458694637.db2.gz OXPJAQHHDIBUBZ-OWNNVSBGSA-N 0 0 348.399 3.148 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000471682471 458711333 /nfs/dbraw/zinc/71/13/33/458711333.db2.gz ITHFFSZFCIMYLN-SKDRFNHKSA-N 0 0 331.294 3.077 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000503702837 458722506 /nfs/dbraw/zinc/72/25/06/458722506.db2.gz JOLGGHUDYCJJPQ-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456639200 458738520 /nfs/dbraw/zinc/73/85/20/458738520.db2.gz WIUQVFPMOMCESS-QGZVFWFLSA-N 0 0 342.351 3.320 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456699745 458756329 /nfs/dbraw/zinc/75/63/29/458756329.db2.gz SXPLYORUVXOBRO-APWZRJJASA-N 0 0 346.427 3.193 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2ccccc21 ZINC000464707975 458765576 /nfs/dbraw/zinc/76/55/76/458765576.db2.gz HPNVWBNHKMRDAO-UHFFFAOYSA-N 0 0 325.368 3.158 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000472174605 458771865 /nfs/dbraw/zinc/77/18/65/458771865.db2.gz SCCBFWSKRTZOLJ-PWSUYJOCSA-N 0 0 345.321 3.386 10 5 EGBERN Cc1sc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000432841653 458798811 /nfs/dbraw/zinc/79/88/11/458798811.db2.gz HEKDFQXGQSDFCJ-UHFFFAOYSA-N 0 0 346.364 3.113 10 5 EGBERN COCc1ccccc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000440721171 458846772 /nfs/dbraw/zinc/84/67/72/458846772.db2.gz DTJNAWJWXMEVEX-UHFFFAOYSA-N 0 0 344.367 3.448 10 5 EGBERN COC(=O)c1cc(NCCOc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000440743079 458848359 /nfs/dbraw/zinc/84/83/59/458848359.db2.gz WVYYHEKDKAUOPN-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)C1 ZINC000441429301 458940965 /nfs/dbraw/zinc/94/09/65/458940965.db2.gz OOVJZEWKZCYZFB-VHSXEESVSA-N 0 0 346.305 3.253 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1)CC1CCC1 ZINC000531627411 458947648 /nfs/dbraw/zinc/94/76/48/458947648.db2.gz HVCYYIQYFXKPMZ-UHFFFAOYSA-N 0 0 325.368 3.432 10 5 EGBERN O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531881708 458993630 /nfs/dbraw/zinc/99/36/30/458993630.db2.gz GBYWLIYQRQMGBU-UHFFFAOYSA-N 0 0 326.356 3.232 10 5 EGBERN CN(CCCO)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000442993526 459072780 /nfs/dbraw/zinc/07/27/80/459072780.db2.gz OPELZHOPEQKWHI-UHFFFAOYSA-N 0 0 346.408 3.200 10 5 EGBERN CC(C)(C)CC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590078816 459078585 /nfs/dbraw/zinc/07/85/85/459078585.db2.gz MNFFXWPCZFPVBU-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)ccc1[N+](=O)[O-] ZINC000567286460 459079736 /nfs/dbraw/zinc/07/97/36/459079736.db2.gz LMIQMMGOWPTSGF-OAHLLOKOSA-N 0 0 327.384 3.296 10 5 EGBERN COc1ccc2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)ccc2c1 ZINC000532399128 459081283 /nfs/dbraw/zinc/08/12/83/459081283.db2.gz XYXBDMMWTWXWKO-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(n2cc(Cl)cn2)CC1 ZINC000594577651 459095853 /nfs/dbraw/zinc/09/58/53/459095853.db2.gz XINPUCYPNSSINV-UHFFFAOYSA-N 0 0 336.779 3.295 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1nc2c(cccc2F)n1C ZINC000557697877 459101293 /nfs/dbraw/zinc/10/12/93/459101293.db2.gz VACGASFZMIBYRO-UHFFFAOYSA-N 0 0 328.347 3.300 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC4(CCCC4)O3)cc2N1 ZINC000594599852 459104660 /nfs/dbraw/zinc/10/46/60/459104660.db2.gz NYZLURDIFKBQNM-ZDUSSCGKSA-N 0 0 345.399 3.383 10 5 EGBERN O=c1[nH]cnc2cc(NC[C@H]3CCC4(CCCC4)O3)c([N+](=O)[O-])cc21 ZINC000594598185 459104824 /nfs/dbraw/zinc/10/48/24/459104824.db2.gz FCCHLJLGHARZHM-LLVKDONJSA-N 0 0 344.371 3.147 10 5 EGBERN O=C([C@H]1CCCC[C@H]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567590793 459129435 /nfs/dbraw/zinc/12/94/35/459129435.db2.gz CITKMHFIJDNYJS-HOTGVXAUSA-N 0 0 346.431 3.171 10 5 EGBERN CCc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1F ZINC000532790520 459146121 /nfs/dbraw/zinc/14/61/21/459146121.db2.gz NOIANZWQJGRYAK-UHFFFAOYSA-N 0 0 332.287 3.277 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590556583 459148077 /nfs/dbraw/zinc/14/80/77/459148077.db2.gz KILSZDLOTNKIMF-GOSISDBHSA-N 0 0 338.363 3.070 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590557155 459148523 /nfs/dbraw/zinc/14/85/23/459148523.db2.gz RWWIMISNEMYXEX-KRWDZBQOSA-N 0 0 342.326 3.280 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)Cc2cscn2)ccc1[N+](=O)[O-] ZINC000590574430 459152188 /nfs/dbraw/zinc/15/21/88/459152188.db2.gz AGRQDBVMVSHRDS-UHFFFAOYSA-N 0 0 341.776 3.128 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@H](c2ccsc2)C1 ZINC000590585550 459153359 /nfs/dbraw/zinc/15/33/59/459153359.db2.gz FCWAWEKUCIQKLF-LBPRGKRZSA-N 0 0 325.777 3.283 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594895991 459168369 /nfs/dbraw/zinc/16/83/69/459168369.db2.gz RNTGBJYTSRQIRF-UTUOFQBUSA-N 0 0 345.424 3.370 10 5 EGBERN CO[C@@H](COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594893854 459169284 /nfs/dbraw/zinc/16/92/84/459169284.db2.gz LTTNYRVOMVIIKS-ZANVPECISA-N 0 0 335.278 3.044 10 5 EGBERN CCc1noc(C)c1-c1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000578346114 459186650 /nfs/dbraw/zinc/18/66/50/459186650.db2.gz QONFACDTASMIBA-UHFFFAOYSA-N 0 0 344.327 3.103 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000590715071 459192650 /nfs/dbraw/zinc/19/26/50/459192650.db2.gz QACGBEURJOIFSY-LXZKKBNFSA-N 0 0 327.384 3.273 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000522119940 459215798 /nfs/dbraw/zinc/21/57/98/459215798.db2.gz OCOPBDKWQCKGIJ-GFCCVEGCSA-N 0 0 346.387 3.262 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000595070455 459235993 /nfs/dbraw/zinc/23/59/93/459235993.db2.gz WNEGCNGKWHIMBW-HNNXBMFYSA-N 0 0 345.399 3.153 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC(C)(C)C ZINC000522973801 459273276 /nfs/dbraw/zinc/27/32/76/459273276.db2.gz MTZGUURCOVEHKD-LLVKDONJSA-N 0 0 344.433 3.097 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccco2)CC1 ZINC000595470432 459313757 /nfs/dbraw/zinc/31/37/57/459313757.db2.gz VSIXJXFRGUXGGE-UHFFFAOYSA-N 0 0 343.383 3.320 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000568651120 459324845 /nfs/dbraw/zinc/32/48/45/459324845.db2.gz IXYWYPDCBDWDNI-CYBMUJFWSA-N 0 0 343.383 3.303 10 5 EGBERN COC1CC(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595519558 459332288 /nfs/dbraw/zinc/33/22/88/459332288.db2.gz LRAYZJJZFBAKMF-UHFFFAOYSA-N 0 0 349.431 3.032 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(=O)[O-] ZINC000582241347 459332542 /nfs/dbraw/zinc/33/25/42/459332542.db2.gz NIJINNRMNBSYOP-BLLLJJGKSA-N 0 0 344.367 3.397 10 5 EGBERN CO[C@@H](C)c1cccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000582356039 459352490 /nfs/dbraw/zinc/35/24/90/459352490.db2.gz RRDPXDPCGGRFQK-XJKSGUPXSA-N 0 0 346.383 3.154 10 5 EGBERN Cc1ccc(-c2noc(COc3ccc([N+](=O)[O-])c(CO)c3)n2)cc1 ZINC000582396618 459357233 /nfs/dbraw/zinc/35/72/33/459357233.db2.gz FALMKLHZRPAFHR-UHFFFAOYSA-N 0 0 341.323 3.025 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000568867802 459358748 /nfs/dbraw/zinc/35/87/48/459358748.db2.gz LGBMLFNQEQVCMA-GZBFAFLISA-N 0 0 348.399 3.096 10 5 EGBERN Cc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483436073 459369689 /nfs/dbraw/zinc/36/96/89/459369689.db2.gz CFYREMPZYKLXNZ-SFHVURJKSA-N 0 0 342.395 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C/[C@H]3CCCO3)n2)c2c1NCCC2 ZINC000591665819 459420138 /nfs/dbraw/zinc/42/01/38/459420138.db2.gz JXZPLLDXMZHHEC-AYLMVEPYSA-N 0 0 342.355 3.195 10 5 EGBERN COc1ccc(CC(=O)NC2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000582830273 459433633 /nfs/dbraw/zinc/43/36/33/459433633.db2.gz RDFVXKLJVLWPLH-UHFFFAOYSA-N 0 0 342.342 3.086 10 5 EGBERN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595826329 459455967 /nfs/dbraw/zinc/45/59/67/459455967.db2.gz MZUHHUZSXBDNSN-MRXNPFEDSA-N 0 0 327.384 3.011 10 5 EGBERN Cc1cccc([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000525463172 459457537 /nfs/dbraw/zinc/45/75/37/459457537.db2.gz ACLJHYYVFISWDO-NSHDSACASA-N 0 0 340.426 3.047 10 5 EGBERN CCC(CC)(CO)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000583033920 459471356 /nfs/dbraw/zinc/47/13/56/459471356.db2.gz LYANEVBYJMMXIY-UHFFFAOYSA-N 0 0 345.193 3.095 10 5 EGBERN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595894314 459478454 /nfs/dbraw/zinc/47/84/54/459478454.db2.gz TZXNNBRWRVTHFR-SKDRFNHKSA-N 0 0 336.285 3.276 10 5 EGBERN CN1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485978482 459482428 /nfs/dbraw/zinc/48/24/28/459482428.db2.gz JMFFOGVFZFMWDT-GOEBONIOSA-N 0 0 334.326 3.125 10 5 EGBERN C[C@H]1[C@H](CO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486002020 459483281 /nfs/dbraw/zinc/48/32/81/459483281.db2.gz KFLLGDJVHVDEBH-BBRMVZONSA-N 0 0 340.379 3.033 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H](CO)c1ccccc1)CCCC2 ZINC000591921290 459485239 /nfs/dbraw/zinc/48/52/39/459485239.db2.gz PJMWELVZLLTKAH-OAHLLOKOSA-N 0 0 327.384 3.057 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@](C)(C(F)F)O1 ZINC000595915983 459486189 /nfs/dbraw/zinc/48/61/89/459486189.db2.gz JUHUTAOYWRVECM-YMTOWFKASA-N 0 0 334.750 3.493 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCc2ccccc2C1 ZINC000541785797 459492195 /nfs/dbraw/zinc/49/21/95/459492195.db2.gz JHMUXZRIAKCQCN-CYBMUJFWSA-N 0 0 329.331 3.413 10 5 EGBERN COc1cc(NCCCOC[C@H]2CCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596064645 459506706 /nfs/dbraw/zinc/50/67/06/459506706.db2.gz ZKCHENQXFJXJBV-LLVKDONJSA-N 0 0 344.795 3.254 10 5 EGBERN CNC(=O)c1ccc(N2CC3(CC=CC3)[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000591992215 459507536 /nfs/dbraw/zinc/50/75/36/459507536.db2.gz DNXJGYCWMPCGMW-MRXNPFEDSA-N 0 0 329.400 3.135 10 5 EGBERN COc1cc(N[C@@H]2CCc3nc(C)ncc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596108997 459524711 /nfs/dbraw/zinc/52/47/11/459524711.db2.gz RIIPNZMTLHNJPV-LLVKDONJSA-N 0 0 348.790 3.325 10 5 EGBERN COc1cc(NC[C@@H](O)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000596113319 459525703 /nfs/dbraw/zinc/52/57/03/459525703.db2.gz UJJVLURQPWUEIK-LBPRGKRZSA-N 0 0 336.775 3.272 10 5 EGBERN COc1cc(NCc2csc(N(C)C)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596149114 459536985 /nfs/dbraw/zinc/53/69/85/459536985.db2.gz POPJQOUSPDUTEI-UHFFFAOYSA-N 0 0 342.808 3.391 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596168963 459545700 /nfs/dbraw/zinc/54/57/00/459545700.db2.gz UTSVLCINGZCXMI-AHIWAGSCSA-N 0 0 343.383 3.077 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000596168005 459545877 /nfs/dbraw/zinc/54/58/77/459545877.db2.gz MYOWVZIJOGNXRC-CYBMUJFWSA-N 0 0 347.415 3.114 10 5 EGBERN C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596168016 459546160 /nfs/dbraw/zinc/54/61/60/459546160.db2.gz NAORCDLFZHEWAZ-STQMWFEESA-N 0 0 328.372 3.154 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596182126 459551853 /nfs/dbraw/zinc/55/18/53/459551853.db2.gz OIMGXBMAORPOIJ-UWVGGRQHSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CSC2(C)C)ccc1[N+](=O)[O-] ZINC000596203406 459559586 /nfs/dbraw/zinc/55/95/86/459559586.db2.gz FKRQPQQRZNAFOV-SECBINFHSA-N 0 0 330.793 3.341 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000526932740 459560537 /nfs/dbraw/zinc/56/05/37/459560537.db2.gz XDYOQSLOXBIDHC-DTORHVGOSA-N 0 0 332.278 3.159 10 5 EGBERN COc1cc(NCc2c3c(nn2C)CCCC3)c([N+](=O)[O-])cc1C ZINC000596242229 459572192 /nfs/dbraw/zinc/57/21/92/459572192.db2.gz RSZGOGQCJYNXQM-UHFFFAOYSA-N 0 0 330.388 3.136 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC12CCC(CC1)C2 ZINC000596254631 459575875 /nfs/dbraw/zinc/57/58/75/459575875.db2.gz RAGPRULCFSWKPD-UHFFFAOYSA-N 0 0 325.368 3.399 10 5 EGBERN CCC[C@@H]1CCc2c(sc(=O)n2Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000596256610 459577151 /nfs/dbraw/zinc/57/71/51/459577151.db2.gz DNNXSUWWLRTXKV-SNVBAGLBSA-N 0 0 337.401 3.068 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H](c3ccccn3)C2)nc2sccn21 ZINC000596305840 459589651 /nfs/dbraw/zinc/58/96/51/459589651.db2.gz NNXQDBFMGXXTTA-LLVKDONJSA-N 0 0 329.385 3.083 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596310801 459591992 /nfs/dbraw/zinc/59/19/92/459591992.db2.gz ANOYCWRUEJRVGK-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000596317433 459594404 /nfs/dbraw/zinc/59/44/04/459594404.db2.gz IJASRSUWMXOKQY-TVQRCGJNSA-N 0 0 334.294 3.077 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H]1CCOC1 ZINC000596318724 459594654 /nfs/dbraw/zinc/59/46/54/459594654.db2.gz QCHMPNBPQVIDBS-LRDDRELGSA-N 0 0 338.404 3.236 10 5 EGBERN C[S@](=O)[C@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596365165 459608734 /nfs/dbraw/zinc/60/87/34/459608734.db2.gz HAJNYFJRHUYGPL-HNDXJFMUSA-N 0 0 333.413 3.245 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596367358 459609501 /nfs/dbraw/zinc/60/95/01/459609501.db2.gz GXDSEPUQJCJHNF-NVBFEUDRSA-N 0 0 328.796 3.226 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000573006932 459609942 /nfs/dbraw/zinc/60/99/42/459609942.db2.gz SVWDGPWHWMHUTQ-WHOFXGATSA-N 0 0 337.420 3.061 10 5 EGBERN COc1c(C(=O)N2CCc3c2c(F)ccc3F)cccc1[N+](=O)[O-] ZINC000498952303 459615494 /nfs/dbraw/zinc/61/54/94/459615494.db2.gz SONIXZWDFNGAAG-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN CCOc1cc(CSC[C@H](OC)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596391226 459619501 /nfs/dbraw/zinc/61/95/01/459619501.db2.gz VEWPLQHTQJVIQJ-BBRMVZONSA-N 0 0 341.429 3.278 10 5 EGBERN CO[C@@H](CSCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596418465 459631082 /nfs/dbraw/zinc/63/10/82/459631082.db2.gz NYXLWEKBQIQOCZ-HNNXBMFYSA-N 0 0 338.429 3.472 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596448496 459639391 /nfs/dbraw/zinc/63/93/91/459639391.db2.gz MPJKLOWYYAXPDO-MEDUHNTESA-N 0 0 346.408 3.139 10 5 EGBERN COCc1csc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000596473723 459648825 /nfs/dbraw/zinc/64/88/25/459648825.db2.gz UDJSJAWOHKOGIJ-UHFFFAOYSA-N 0 0 336.369 3.201 10 5 EGBERN O=C(c1cc(N2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596479868 459651632 /nfs/dbraw/zinc/65/16/32/459651632.db2.gz VDTJNOVFIWYBOK-AWEZNQCLSA-N 0 0 349.406 3.407 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596482271 459652199 /nfs/dbraw/zinc/65/21/99/459652199.db2.gz IJCGRXVBZCJCFE-IAGOWNOFSA-N 0 0 343.383 3.475 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000596498569 459656865 /nfs/dbraw/zinc/65/68/65/459656865.db2.gz FMYJVLNITJOFOH-RTHLEPHNSA-N 0 0 347.293 3.010 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC([C@@H]4CCCCO4)CC3)nc2c1 ZINC000596496997 459657124 /nfs/dbraw/zinc/65/71/24/459657124.db2.gz IWUYMEQQZILNDP-INIZCTEOSA-N 0 0 330.388 3.257 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC1(c2cccc(F)c2)CCC1 ZINC000592676109 459662293 /nfs/dbraw/zinc/66/22/93/459662293.db2.gz JEOQKAZKAKHEMK-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN CNC(=O)CC1(CNc2c(OC)cccc2[N+](=O)[O-])CCCCC1 ZINC000596523509 459664610 /nfs/dbraw/zinc/66/46/10/459664610.db2.gz JVWHYRIJFZTKOJ-UHFFFAOYSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cccc(C2(NC(=O)COc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000592687077 459666261 /nfs/dbraw/zinc/66/62/61/459666261.db2.gz QXIKWFADKPLRBF-UHFFFAOYSA-N 0 0 340.379 3.478 10 5 EGBERN CSc1cccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000592696553 459668752 /nfs/dbraw/zinc/66/87/52/459668752.db2.gz DLOMJRUWNXGGSZ-PHIMTYICSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000596539065 459669544 /nfs/dbraw/zinc/66/95/44/459669544.db2.gz AOVNAJLLZQGHBR-MEDUHNTESA-N 0 0 341.367 3.348 10 5 EGBERN COc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000543626450 459676881 /nfs/dbraw/zinc/67/68/81/459676881.db2.gz BXEIZBPDQLDOQY-UHFFFAOYSA-N 0 0 341.411 3.234 10 5 EGBERN COc1cc(OCC(=O)N2CCCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000592737702 459680583 /nfs/dbraw/zinc/68/05/83/459680583.db2.gz XJFZLVPAQJRYPZ-HNNXBMFYSA-N 0 0 348.399 3.163 10 5 EGBERN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596576069 459683159 /nfs/dbraw/zinc/68/31/59/459683159.db2.gz ZDAJBXTYNZSFBD-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1ccn([C@@H](C)Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)n1 ZINC000596582213 459683897 /nfs/dbraw/zinc/68/38/97/459683897.db2.gz DCFYVNWJITXWKQ-LBPRGKRZSA-N 0 0 327.344 3.262 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000592797617 459692638 /nfs/dbraw/zinc/69/26/38/459692638.db2.gz HBADIEOCHBNZCI-CQSZACIVSA-N 0 0 344.415 3.006 10 5 EGBERN CO[C@H]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000596602456 459694309 /nfs/dbraw/zinc/69/43/09/459694309.db2.gz LUWMOAOZPGXHAE-MNOVXSKESA-N 0 0 344.371 3.285 10 5 EGBERN CC1(CC(F)F)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000592836386 459701563 /nfs/dbraw/zinc/70/15/63/459701563.db2.gz WBDQSKKHRZRFAY-UHFFFAOYSA-N 0 0 341.358 3.291 10 5 EGBERN C[C@@H](C(=O)N1CC(C)(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000592841642 459702418 /nfs/dbraw/zinc/70/24/18/459702418.db2.gz VIICJYCVMNSILI-SECBINFHSA-N 0 0 330.306 3.341 10 5 EGBERN Cc1c(NC(=O)N2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000596636922 459708257 /nfs/dbraw/zinc/70/82/57/459708257.db2.gz ZLFYNKCBDDJWMA-GFCCVEGCSA-N 0 0 333.388 3.469 10 5 EGBERN COC(=O)c1cc(NC(=O)NCCCC2CC2)c(C)c([N+](=O)[O-])c1 ZINC000584326888 459710095 /nfs/dbraw/zinc/71/00/95/459710095.db2.gz ROVQHMAPJSLUPR-UHFFFAOYSA-N 0 0 335.360 3.002 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000596647673 459713197 /nfs/dbraw/zinc/71/31/97/459713197.db2.gz UPPDSVJRECSBHW-SFHVURJKSA-N 0 0 343.379 3.354 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1cnc3ccccc3c1)CCCC2 ZINC000563120099 459718011 /nfs/dbraw/zinc/71/80/11/459718011.db2.gz RDOMJTZJVVPCNK-UHFFFAOYSA-N 0 0 335.363 3.232 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593014174 459739380 /nfs/dbraw/zinc/73/93/80/459739380.db2.gz WCRWHUTUKZCPNK-UHFFFAOYSA-N 0 0 342.399 3.308 10 5 EGBERN CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593080441 459767124 /nfs/dbraw/zinc/76/71/24/459767124.db2.gz IJRBXNKRLXHTPL-NWDGAFQWSA-N 0 0 334.294 3.130 10 5 EGBERN Cc1cc(NC(=O)NCc2c(C3CCC3)cnn2C)ccc1[N+](=O)[O-] ZINC000596824921 459772537 /nfs/dbraw/zinc/77/25/37/459772537.db2.gz SAGMNWJIIUWIJP-UHFFFAOYSA-N 0 0 343.387 3.226 10 5 EGBERN CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CO1 ZINC000596829239 459773321 /nfs/dbraw/zinc/77/33/21/459773321.db2.gz QXWNXOUOAQBNIA-VIFPVBQESA-N 0 0 347.293 3.303 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593167610 459794219 /nfs/dbraw/zinc/79/42/19/459794219.db2.gz AYLSDPVFRZUNBR-ONGXEEELSA-N 0 0 348.296 3.466 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@@H]2CCCCO2)c1 ZINC000593187908 459801077 /nfs/dbraw/zinc/80/10/77/459801077.db2.gz RPESMKWUMXMXGE-ZDUSSCGKSA-N 0 0 325.386 3.184 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCC[C@H]2CCOC2)c1 ZINC000593199349 459805930 /nfs/dbraw/zinc/80/59/30/459805930.db2.gz JFTPQQADJQWVGE-LBPRGKRZSA-N 0 0 339.413 3.431 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCC[C@@H]2CCOC2)c1 ZINC000593199347 459805964 /nfs/dbraw/zinc/80/59/64/459805964.db2.gz JFTPQQADJQWVGE-GFCCVEGCSA-N 0 0 339.413 3.431 10 5 EGBERN Cc1cnn(C)c1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000596972733 459807220 /nfs/dbraw/zinc/80/72/20/459807220.db2.gz HFQQAJINCWTUPM-UHFFFAOYSA-N 0 0 331.376 3.079 10 5 EGBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000593213862 459809134 /nfs/dbraw/zinc/80/91/34/459809134.db2.gz ZBGAIKFNVHALOK-UHFFFAOYSA-N 0 0 347.758 3.480 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593236373 459816347 /nfs/dbraw/zinc/81/63/47/459816347.db2.gz GDTHOQSVELUPIM-UHFFFAOYSA-N 0 0 336.241 3.068 10 5 EGBERN Cc1ncc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000545254236 459817781 /nfs/dbraw/zinc/81/77/81/459817781.db2.gz YUHOKEVWCHDXME-SNVBAGLBSA-N 0 0 326.356 3.313 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000593252486 459820734 /nfs/dbraw/zinc/82/07/34/459820734.db2.gz KZGJNMUUPSQGLE-AWEZNQCLSA-N 0 0 345.374 3.310 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCOC2 ZINC000597055644 459826915 /nfs/dbraw/zinc/82/69/15/459826915.db2.gz MUBSWMVHYPYAAH-UHFFFAOYSA-N 0 0 341.367 3.331 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000593277355 459827496 /nfs/dbraw/zinc/82/74/96/459827496.db2.gz SKZCSTKJYQVTAB-UHFFFAOYSA-N 0 0 329.331 3.375 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000593296888 459832413 /nfs/dbraw/zinc/83/24/13/459832413.db2.gz VHJHDZVNVZNFRL-QMTHXVAHSA-N 0 0 339.355 3.321 10 5 EGBERN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593295438 459832545 /nfs/dbraw/zinc/83/25/45/459832545.db2.gz LGVFMJLCRZOXKZ-NSHDSACASA-N 0 0 346.305 3.255 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2cc(F)ccc2O1 ZINC000593298835 459833341 /nfs/dbraw/zinc/83/33/41/459833341.db2.gz CYWUOBBBUNPUQW-CQSZACIVSA-N 0 0 345.330 3.161 10 5 EGBERN CCN(CCSC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090226 459835365 /nfs/dbraw/zinc/83/53/65/459835365.db2.gz JUDQJNSYSLGRSS-UHFFFAOYSA-N 0 0 332.813 3.047 10 5 EGBERN CN(Cc1c(F)cccc1Cl)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000585702348 459835969 /nfs/dbraw/zinc/83/59/69/459835969.db2.gz JAMJBXBYKOYJEY-UHFFFAOYSA-N 0 0 339.754 3.098 10 5 EGBERN C[C@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094162 459836443 /nfs/dbraw/zinc/83/64/43/459836443.db2.gz MKOAFKBERASZDS-IUCAKERBSA-N 0 0 326.784 3.340 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000597100474 459837135 /nfs/dbraw/zinc/83/71/35/459837135.db2.gz JDMHJQZNKGIUKI-BDAKNGLRSA-N 0 0 326.784 3.340 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000593314119 459838118 /nfs/dbraw/zinc/83/81/18/459838118.db2.gz KLYYPMJPWHYDOH-UHFFFAOYSA-N 0 0 326.352 3.180 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000598251638 459840339 /nfs/dbraw/zinc/84/03/39/459840339.db2.gz MBHJJPKXVRLVSC-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593328694 459845355 /nfs/dbraw/zinc/84/53/55/459845355.db2.gz SJUPTRMNQFSVNI-CQSZACIVSA-N 0 0 340.379 3.162 10 5 EGBERN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000597138515 459849902 /nfs/dbraw/zinc/84/99/02/459849902.db2.gz RXSKWFVNDCLOCE-OAHLLOKOSA-N 0 0 341.415 3.291 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000598295917 459851215 /nfs/dbraw/zinc/85/12/15/459851215.db2.gz IOXZCEWXIWRHMX-LSDHHAIUSA-N 0 0 347.415 3.154 10 5 EGBERN Cc1sc(C(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000598306526 459857626 /nfs/dbraw/zinc/85/76/26/459857626.db2.gz PLICAFXJMLYVGD-AWEZNQCLSA-N 0 0 338.429 3.386 10 5 EGBERN C[C@@]1(C2CC2)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000597178706 459863738 /nfs/dbraw/zinc/86/37/38/459863738.db2.gz FFTTYIZTUHHTOY-INIZCTEOSA-N 0 0 342.342 3.197 10 5 EGBERN COCc1ccnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000593369244 459868228 /nfs/dbraw/zinc/86/82/28/459868228.db2.gz MCTLEXLTHMKENG-UHFFFAOYSA-N 0 0 329.356 3.053 10 5 EGBERN CC[C@H](NC(=O)N1CCC([C@@H](C)CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593370255 459869090 /nfs/dbraw/zinc/86/90/90/459869090.db2.gz KEIKTSFZJJIDMH-GUYCJALGSA-N 0 0 349.431 3.096 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593374244 459870991 /nfs/dbraw/zinc/87/09/91/459870991.db2.gz XSKFCRLNKJXGCW-IAQYHMDHSA-N 0 0 339.342 3.405 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598349060 459874807 /nfs/dbraw/zinc/87/48/07/459874807.db2.gz KQJXOWZYWQUONP-SJORKVTESA-N 0 0 346.358 3.222 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000598365261 459880313 /nfs/dbraw/zinc/88/03/13/459880313.db2.gz SSIKDFFIZNJHTI-UHFFFAOYSA-N 0 0 326.352 3.125 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(C(F)(F)F)CC1 ZINC000608786056 459883238 /nfs/dbraw/zinc/88/32/38/459883238.db2.gz YLKSQRJMXQRHOW-UHFFFAOYSA-N 0 0 340.204 3.477 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000586834209 459883424 /nfs/dbraw/zinc/88/34/24/459883424.db2.gz DJUOBCDQMKJFCY-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C2CC2)C2CC2)c1 ZINC000598382298 459884547 /nfs/dbraw/zinc/88/45/47/459884547.db2.gz XWNYDLGHECXOOP-UHFFFAOYSA-N 0 0 332.400 3.367 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)o2)c1 ZINC000597229638 459885604 /nfs/dbraw/zinc/88/56/04/459885604.db2.gz HKCQZRJYMDJSAB-HUUCEWRRSA-N 0 0 328.368 3.323 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000598392587 459887007 /nfs/dbraw/zinc/88/70/07/459887007.db2.gz HJWKWQLHNRXXRO-ZIAGYGMSSA-N 0 0 332.400 3.001 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000597243997 459892946 /nfs/dbraw/zinc/89/29/46/459892946.db2.gz QIRDMIODGCIOQJ-LQPUYASZSA-N 0 0 330.306 3.261 10 5 EGBERN Cc1[nH]c2ccc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)cc2c1C ZINC000587510327 459893099 /nfs/dbraw/zinc/89/30/99/459893099.db2.gz ALMYIOFOIYGQOU-UHFFFAOYSA-N 0 0 340.383 3.380 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000597243995 459893286 /nfs/dbraw/zinc/89/32/86/459893286.db2.gz QIRDMIODGCIOQJ-DXTPNHAXSA-N 0 0 330.306 3.261 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOCC1CCOCC1 ZINC000593461063 459894891 /nfs/dbraw/zinc/89/48/91/459894891.db2.gz GTMNAGPWKFPDKW-UHFFFAOYSA-N 0 0 345.399 3.388 10 5 EGBERN CCC[C@H](Cc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587837848 459895377 /nfs/dbraw/zinc/89/53/77/459895377.db2.gz RLLGQLPSNGMFCF-OAHLLOKOSA-N 0 0 329.400 3.493 10 5 EGBERN CCCN(C[C@H]1CCCCO1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000587972445 459896972 /nfs/dbraw/zinc/89/69/72/459896972.db2.gz GDQGWCOBWDRIGK-LLVKDONJSA-N 0 0 336.417 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000597259038 459898367 /nfs/dbraw/zinc/89/83/67/459898367.db2.gz VXFGQRPTVBOMDG-UHFFFAOYSA-N 0 0 328.416 3.221 10 5 EGBERN CC[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(F)c1 ZINC000587994251 459899712 /nfs/dbraw/zinc/89/97/12/459899712.db2.gz CCELLZZNCXVYSE-AWEZNQCLSA-N 0 0 349.362 3.078 10 5 EGBERN CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609042275 459902127 /nfs/dbraw/zinc/90/21/27/459902127.db2.gz WRFKMXFVDFEHOW-WDEREUQCSA-N 0 0 332.447 3.294 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc([N+](=O)[O-])c1 ZINC000598455298 459902657 /nfs/dbraw/zinc/90/26/57/459902657.db2.gz DTMMSDYZMZOEEC-IXDOHACOSA-N 0 0 326.327 3.110 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC000598457544 459903392 /nfs/dbraw/zinc/90/33/92/459903392.db2.gz NTFXFMRNMZZILS-AYOQOUSVSA-N 0 0 340.354 3.039 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1CC1CCC1 ZINC000598461836 459904192 /nfs/dbraw/zinc/90/41/92/459904192.db2.gz KXCPPBLZZKMLAS-HNNXBMFYSA-N 0 0 334.420 3.061 10 5 EGBERN Cc1ccc([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c(C)c1 ZINC000588037525 459904911 /nfs/dbraw/zinc/90/49/11/459904911.db2.gz NWMOBYMTUFPURC-AWEZNQCLSA-N 0 0 341.411 3.280 10 5 EGBERN Nc1c(F)c(N2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000593490156 459905199 /nfs/dbraw/zinc/90/51/99/459905199.db2.gz LCSVEHFFXNVDFY-UHFFFAOYSA-N 0 0 337.248 3.187 10 5 EGBERN COc1ccc(C(=O)N(C)C[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000598469001 459905539 /nfs/dbraw/zinc/90/55/39/459905539.db2.gz JIFTWWJIBVJCTG-OAHLLOKOSA-N 0 0 340.379 3.405 10 5 EGBERN CCOc1cc(N2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000588068625 459908312 /nfs/dbraw/zinc/90/83/12/459908312.db2.gz XSQXXXFGLFKBLI-RNCFNFMXSA-N 0 0 334.294 3.150 10 5 EGBERN CCc1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000593510824 459910475 /nfs/dbraw/zinc/91/04/75/459910475.db2.gz ZPQNBBYXHGJBLA-UHFFFAOYSA-N 0 0 340.426 3.234 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCCC1(CO)CCC1 ZINC000593511965 459911236 /nfs/dbraw/zinc/91/12/36/459911236.db2.gz IALJZIKTXKUAMP-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc1OC ZINC000602402256 459916792 /nfs/dbraw/zinc/91/67/92/459916792.db2.gz WNEBCKZEKOBGEU-SGTLLEGYSA-N 0 0 348.399 3.407 10 5 EGBERN Cc1cccc2c1N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000575156409 459938842 /nfs/dbraw/zinc/93/88/42/459938842.db2.gz SQPVZONYJAMCBN-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN CCc1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598566677 459939867 /nfs/dbraw/zinc/93/98/67/459939867.db2.gz YQHSTRWFNLHUPZ-QLJPJBMISA-N 0 0 342.342 3.042 10 5 EGBERN CC12CC(C1)CN2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000598568096 459941114 /nfs/dbraw/zinc/94/11/14/459941114.db2.gz MZYZTSHRDJZVJT-UHFFFAOYSA-N 0 0 344.289 3.160 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597408753 459943714 /nfs/dbraw/zinc/94/37/14/459943714.db2.gz OGEAFSOLOJUSRJ-GFCCVEGCSA-N 0 0 327.388 3.110 10 5 EGBERN CCc1ccncc1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593679136 459948023 /nfs/dbraw/zinc/94/80/23/459948023.db2.gz BJNQXZNGCGBIRC-GFCCVEGCSA-N 0 0 328.372 3.381 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000598579029 459948272 /nfs/dbraw/zinc/94/82/72/459948272.db2.gz UZNHPIXLFYSSOO-HNNXBMFYSA-N 0 0 348.399 3.083 10 5 EGBERN COC(=O)c1ccnc(NC2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000598629551 459968505 /nfs/dbraw/zinc/96/85/05/459968505.db2.gz MCSUNMBFDYTRQG-UHFFFAOYSA-N 0 0 329.303 3.012 10 5 EGBERN Cc1n[nH]c(C(=O)NC2(c3ccccc3Cl)CCC2)c1[N+](=O)[O-] ZINC000593758784 459976343 /nfs/dbraw/zinc/97/63/43/459976343.db2.gz RZDIZSMRXGHGKF-UHFFFAOYSA-N 0 0 334.763 3.089 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000609578576 459986173 /nfs/dbraw/zinc/98/61/73/459986173.db2.gz DIZNLRCFSXXBCE-CYBMUJFWSA-N 0 0 343.383 3.034 10 5 EGBERN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Cl)cn1 ZINC000609604225 459991449 /nfs/dbraw/zinc/99/14/49/459991449.db2.gz HJZAGRHFCNVPCP-UHFFFAOYSA-N 0 0 345.746 3.330 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593808988 459991427 /nfs/dbraw/zinc/99/14/27/459991427.db2.gz AXLGZIBCMGZNPL-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC000593815821 459994709 /nfs/dbraw/zinc/99/47/09/459994709.db2.gz ABUQDFAUMMMJLM-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN CC1=CC[C@@](C)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000597575112 459998282 /nfs/dbraw/zinc/99/82/82/459998282.db2.gz LFWSFICEQPJFEB-QGZVFWFLSA-N 0 0 332.404 3.091 10 5 EGBERN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000609644385 460002355 /nfs/dbraw/zinc/00/23/55/460002355.db2.gz QREXGNRVQRRXPY-UHFFFAOYSA-N 0 0 334.397 3.129 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3sccc3s2)n1 ZINC000618419067 460005736 /nfs/dbraw/zinc/00/57/36/460005736.db2.gz DBIGPFZIUGGMSY-UHFFFAOYSA-N 0 0 333.354 3.322 10 5 EGBERN Cn1cc(CN[C@H]2CCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588930163 460007389 /nfs/dbraw/zinc/00/73/89/460007389.db2.gz NFXUXMBFTZATLZ-AWEZNQCLSA-N 0 0 336.342 3.273 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593878507 460009027 /nfs/dbraw/zinc/00/90/27/460009027.db2.gz CYCKESLPUQCWGO-UHFFFAOYSA-N 0 0 334.416 3.175 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000609730911 460010824 /nfs/dbraw/zinc/01/08/24/460010824.db2.gz HDFIKOUSBZGXSG-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCc2ccccc2N1 ZINC000593914828 460016064 /nfs/dbraw/zinc/01/60/64/460016064.db2.gz GDOIXVRAJQKWIW-OAHLLOKOSA-N 0 0 339.395 3.450 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000589106787 460031550 /nfs/dbraw/zinc/03/15/50/460031550.db2.gz WNXBVAUNXIOVBW-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CC1(F)F ZINC000598785617 460033455 /nfs/dbraw/zinc/03/34/55/460033455.db2.gz XQUHQUAOHMVRKB-BDAKNGLRSA-N 0 0 348.733 3.177 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1cn[nH]c1 ZINC000597730256 460042440 /nfs/dbraw/zinc/04/24/40/460042440.db2.gz ZXVKIXUYUMWVKX-ZDUSSCGKSA-N 0 0 326.312 3.041 10 5 EGBERN CNc1ccc(C(=O)NC[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000609996022 460046995 /nfs/dbraw/zinc/04/69/95/460046995.db2.gz JYTVNYHPQNKFBU-CYBMUJFWSA-N 0 0 327.384 3.478 10 5 EGBERN Cc1nc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)ccc1[N+](=O)[O-] ZINC000598823177 460051273 /nfs/dbraw/zinc/05/12/73/460051273.db2.gz NDVFEAMEECMADY-BXUZGUMPSA-N 0 0 325.315 3.452 10 5 EGBERN CCOc1cc(C(=O)NC(C)(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000598878357 460080593 /nfs/dbraw/zinc/08/05/93/460080593.db2.gz CERFRIVPSXPRDH-UHFFFAOYSA-N 0 0 348.399 3.311 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597863999 460085021 /nfs/dbraw/zinc/08/50/21/460085021.db2.gz KRLYUOXHTYNVED-ZDUSSCGKSA-N 0 0 327.384 3.187 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594072965 460086844 /nfs/dbraw/zinc/08/68/44/460086844.db2.gz QNEHCJQWAIUNCF-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1Cc2ccccc2N(C)C(=O)C1 ZINC000598949315 460099401 /nfs/dbraw/zinc/09/94/01/460099401.db2.gz YCRBGHKUMLSUGD-CYBMUJFWSA-N 0 0 325.368 3.134 10 5 EGBERN COc1cccc(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000597917510 460109363 /nfs/dbraw/zinc/10/93/63/460109363.db2.gz DRCQXZROBHQGQF-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597917857 460109403 /nfs/dbraw/zinc/10/94/03/460109403.db2.gz BQDPVVDYIFPORE-CQSZACIVSA-N 0 0 347.415 3.104 10 5 EGBERN CCCOc1cncc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000598995349 460121302 /nfs/dbraw/zinc/12/13/02/460121302.db2.gz RNPPFOCFCVXPKP-UHFFFAOYSA-N 0 0 347.371 3.408 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000594139042 460121956 /nfs/dbraw/zinc/12/19/56/460121956.db2.gz QAAYFJSTMJJPQY-AWEZNQCLSA-N 0 0 347.415 3.117 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000597950262 460124974 /nfs/dbraw/zinc/12/49/74/460124974.db2.gz BIEQCJXWNVPHAZ-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594165705 460135278 /nfs/dbraw/zinc/13/52/78/460135278.db2.gz RHTYAFUFIJGFPW-WCQYABFASA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594166583 460135985 /nfs/dbraw/zinc/13/59/85/460135985.db2.gz WVUTXAXAPSBOTB-STQMWFEESA-N 0 0 346.305 3.133 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594173135 460136034 /nfs/dbraw/zinc/13/60/34/460136034.db2.gz GIJHJPFANFQAEQ-LLVKDONJSA-N 0 0 342.342 3.304 10 5 EGBERN CN(C)C(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCC1 ZINC000599044700 460138460 /nfs/dbraw/zinc/13/84/60/460138460.db2.gz SLTROJJVROJTCZ-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN CCOc1ccc([C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000589817997 460142503 /nfs/dbraw/zinc/14/25/03/460142503.db2.gz CGRZVVIUXXYGIC-NSHDSACASA-N 0 0 329.356 3.266 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cnc(OC)c(OC)c1 ZINC000599064903 460147968 /nfs/dbraw/zinc/14/79/68/460147968.db2.gz GOCQWTWKAZRRCL-SNVBAGLBSA-N 0 0 333.344 3.189 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC2(CCCCC2)O1 ZINC000594204617 460149161 /nfs/dbraw/zinc/14/91/61/460149161.db2.gz RZZYPTFAOJBXOV-LBPRGKRZSA-N 0 0 336.363 3.298 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594203357 460149634 /nfs/dbraw/zinc/14/96/34/460149634.db2.gz LEQAAXXYKYPJTI-LBPRGKRZSA-N 0 0 336.363 3.298 10 5 EGBERN COc1c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594205461 460150385 /nfs/dbraw/zinc/15/03/85/460150385.db2.gz VTNHDVPTYUYRLW-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594206752 460151777 /nfs/dbraw/zinc/15/17/77/460151777.db2.gz REIWRYPDQKBXGS-AWEZNQCLSA-N 0 0 332.400 3.433 10 5 EGBERN Cc1cccn2cc(CCNc3c4ccccc4ncc3[N+](=O)[O-])nc12 ZINC000589864355 460152352 /nfs/dbraw/zinc/15/23/52/460152352.db2.gz ULXGKAIUGJEKAH-UHFFFAOYSA-N 0 0 347.378 3.176 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594213361 460154279 /nfs/dbraw/zinc/15/42/79/460154279.db2.gz GHYAUJKAQZEZAG-CQSZACIVSA-N 0 0 347.415 3.228 10 5 EGBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000599110935 460164323 /nfs/dbraw/zinc/16/43/23/460164323.db2.gz HJNYCDNSNAIDNU-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN Nc1cc(NCC2CCc3ccccc3CC2)cc(CO)c1[N+](=O)[O-] ZINC000599119491 460165948 /nfs/dbraw/zinc/16/59/48/460165948.db2.gz ZHZXBKFVSHMYHU-UHFFFAOYSA-N 0 0 341.411 3.276 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594244254 460168760 /nfs/dbraw/zinc/16/87/60/460168760.db2.gz DNUUXKSIEWBHPZ-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC000599137650 460171719 /nfs/dbraw/zinc/17/17/19/460171719.db2.gz AUHLPZMVWQZEET-UHFFFAOYSA-N 0 0 326.343 3.469 10 5 EGBERN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610528766 460176845 /nfs/dbraw/zinc/17/68/45/460176845.db2.gz NVZDWAJDOZUOJE-OLZOCXBDSA-N 0 0 328.372 3.154 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594280108 460179725 /nfs/dbraw/zinc/17/97/25/460179725.db2.gz LNIUIYFEWRSTNP-NVXWUHKLSA-N 0 0 349.431 3.126 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000599156585 460180749 /nfs/dbraw/zinc/18/07/49/460180749.db2.gz ZTKOHQZQEGADOG-UHFFFAOYSA-N 0 0 331.319 3.260 10 5 EGBERN Nc1cc(N[C@H]2CCc3cc(Cl)ccc32)cc(CO)c1[N+](=O)[O-] ZINC000599157149 460181557 /nfs/dbraw/zinc/18/15/57/460181557.db2.gz PTBSPWATHXYTTB-HNNXBMFYSA-N 0 0 333.775 3.422 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](CCF)C2)nc1-c1ccccc1 ZINC000599168356 460184529 /nfs/dbraw/zinc/18/45/29/460184529.db2.gz CRAHJXBCRWHUJW-AWEZNQCLSA-N 0 0 331.347 3.222 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CO[C@H](C4CC4)C3)n2)cc1 ZINC000599182276 460191324 /nfs/dbraw/zinc/19/13/24/460191324.db2.gz XOHUAVLQCBXHHG-WFASDCNBSA-N 0 0 331.397 3.120 10 5 EGBERN C[C@H](c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1)c1cnccn1 ZINC000599193912 460195034 /nfs/dbraw/zinc/19/50/34/460195034.db2.gz FCHZEIPLQGXVJY-NSHDSACASA-N 0 0 339.355 3.246 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598209227 460205313 /nfs/dbraw/zinc/20/53/13/460205313.db2.gz RPMHDLPFKJVEPK-DUVNUKRYSA-N 0 0 327.384 3.102 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598215653 460207517 /nfs/dbraw/zinc/20/75/17/460207517.db2.gz XQCHVYABPFSCFP-DYEKYZERSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000594411718 460210796 /nfs/dbraw/zinc/21/07/96/460210796.db2.gz VDKUVBPOCIGKMI-HOCLYGCPSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594417277 460211883 /nfs/dbraw/zinc/21/18/83/460211883.db2.gz IAZUPCAJIWZBOD-CYBMUJFWSA-N 0 0 343.383 3.298 10 5 EGBERN Cc1ccc(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cc1 ZINC000598235209 460216683 /nfs/dbraw/zinc/21/66/83/460216683.db2.gz QIOURRDGMGCRFK-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000599543219 460271153 /nfs/dbraw/zinc/27/11/53/460271153.db2.gz NDPMMCGMMPGVLF-CQSZACIVSA-N 0 0 331.416 3.402 10 5 EGBERN Cn1ncc(Nc2ncc([N+](=O)[O-])cc2Br)c1C(F)F ZINC000611143784 460295690 /nfs/dbraw/zinc/29/56/90/460295690.db2.gz GLKSXMUIMGEZDE-UHFFFAOYSA-N 0 0 348.107 3.167 10 5 EGBERN CC1(C)Cc2ccccc2N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599659733 460301190 /nfs/dbraw/zinc/30/11/90/460301190.db2.gz IDVIGJPRJILATE-UHFFFAOYSA-N 0 0 325.368 3.035 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC(CC(F)(F)F)C1 ZINC000611196578 460306328 /nfs/dbraw/zinc/30/63/28/460306328.db2.gz JKAHHYRFNGKIPH-UHFFFAOYSA-N 0 0 327.262 3.101 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCOC[C@@H]1c1ccco1 ZINC000611203903 460307341 /nfs/dbraw/zinc/30/73/41/460307341.db2.gz ZKBFIZTYCLLWDW-OAHLLOKOSA-N 0 0 325.324 3.314 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccnc2)CC1 ZINC000611256015 460319243 /nfs/dbraw/zinc/31/92/43/460319243.db2.gz DGEZCPHRGOMHSO-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611257929 460319861 /nfs/dbraw/zinc/31/98/61/460319861.db2.gz ZTQNJIYKIBERGP-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599820071 460341466 /nfs/dbraw/zinc/34/14/66/460341466.db2.gz FLQGGBMMSPTXPF-HNNXBMFYSA-N 0 0 342.395 3.433 10 5 EGBERN CC(C)OCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840939 460347048 /nfs/dbraw/zinc/34/70/48/460347048.db2.gz WADITEIGQHGRQD-UHFFFAOYSA-N 0 0 346.387 3.468 10 5 EGBERN CC1(F)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000619419837 460350932 /nfs/dbraw/zinc/35/09/32/460350932.db2.gz MPYVDBFTFYZIRG-UHFFFAOYSA-N 0 0 344.342 3.358 10 5 EGBERN CC(C)(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(F)F ZINC000619421722 460351442 /nfs/dbraw/zinc/35/14/42/460351442.db2.gz BNAJFZSCPOQOFL-UHFFFAOYSA-N 0 0 341.339 3.492 10 5 EGBERN Cc1c(NC(=O)c2nccs2)cc(Br)cc1[N+](=O)[O-] ZINC000619534777 460376876 /nfs/dbraw/zinc/37/68/76/460376876.db2.gz HXPSAWJRXIFWNX-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611505642 460380505 /nfs/dbraw/zinc/38/05/05/460380505.db2.gz DPQWSOZXMFOWPL-QPUJVOFHSA-N 0 0 345.168 3.177 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCc3sccc32)s1 ZINC000619550259 460381796 /nfs/dbraw/zinc/38/17/96/460381796.db2.gz WUWFYUUARUIVRJ-UHFFFAOYSA-N 0 0 344.439 3.249 10 5 EGBERN C[C@H](OCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525392 460387826 /nfs/dbraw/zinc/38/78/26/460387826.db2.gz RXJDMMHAAMBSOR-ZDUSSCGKSA-N 0 0 345.399 3.249 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(CC)[nH][nH]1 ZINC000611555432 460397700 /nfs/dbraw/zinc/39/77/00/460397700.db2.gz GKWFQXNXCPUBLB-UHFFFAOYSA-N 0 0 334.401 3.057 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600162676 460413433 /nfs/dbraw/zinc/41/34/33/460413433.db2.gz VBYKHTNVSQWLBB-NFAWXSAZSA-N 0 0 330.384 3.110 10 5 EGBERN CC(=O)Nc1cccc2c1CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000611616891 460414766 /nfs/dbraw/zinc/41/47/66/460414766.db2.gz VNNROURVPXOKMO-UHFFFAOYSA-N 0 0 340.383 3.128 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)COc2c(C)cccc2C)n1 ZINC000611616672 460415113 /nfs/dbraw/zinc/41/51/13/460415113.db2.gz MDTLDVDHUQLISY-HNNXBMFYSA-N 0 0 345.399 3.075 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCOC1 ZINC000600173731 460420535 /nfs/dbraw/zinc/42/05/35/460420535.db2.gz SPZRPEPUAVFYJK-OLZOCXBDSA-N 0 0 338.429 3.008 10 5 EGBERN CC(C)c1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000600181544 460424609 /nfs/dbraw/zinc/42/46/09/460424609.db2.gz TZCMJQFGJZIVPH-LJQANCHMSA-N 0 0 344.411 3.421 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCc4ccc(F)c(F)c4C3)c2c1 ZINC000611710480 460436071 /nfs/dbraw/zinc/43/60/71/460436071.db2.gz AXNPHVSKNLRLNF-UHFFFAOYSA-N 0 0 342.305 3.379 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000600212101 460442928 /nfs/dbraw/zinc/44/29/28/460442928.db2.gz VTUALGZZYDXDFP-LLVKDONJSA-N 0 0 332.381 3.007 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC(=O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000600305959 460469017 /nfs/dbraw/zinc/46/90/17/460469017.db2.gz YZXYKZMYKBUNTE-UHFFFAOYSA-N 0 0 348.399 3.213 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000600315453 460472424 /nfs/dbraw/zinc/47/24/24/460472424.db2.gz SRMQGKIKAPYBRJ-HNNXBMFYSA-N 0 0 349.337 3.295 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000600396159 460488628 /nfs/dbraw/zinc/48/86/28/460488628.db2.gz XZYLGWFJPIIAQT-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000600425734 460494041 /nfs/dbraw/zinc/49/40/41/460494041.db2.gz DTCINYUBRBJONX-UHFFFAOYSA-N 0 0 329.356 3.080 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2C[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000600445959 460496631 /nfs/dbraw/zinc/49/66/31/460496631.db2.gz PQAISEXYWBBWAI-UONOGXRCSA-N 0 0 332.381 3.016 10 5 EGBERN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600475339 460501027 /nfs/dbraw/zinc/50/10/27/460501027.db2.gz HJXWRSNFVBOFTI-CQSZACIVSA-N 0 0 331.347 3.470 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600487897 460505464 /nfs/dbraw/zinc/50/54/64/460505464.db2.gz HTJUOXUABJQLDT-UHFFFAOYSA-N 0 0 340.257 3.405 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000600513285 460508318 /nfs/dbraw/zinc/50/83/18/460508318.db2.gz OGQQTMJZFQFLMN-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600520149 460511641 /nfs/dbraw/zinc/51/16/41/460511641.db2.gz NMUNNWGFQCSLNC-DGCLKSJQSA-N 0 0 332.381 3.107 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000600520687 460511719 /nfs/dbraw/zinc/51/17/19/460511719.db2.gz QVXDQYCYOHFEAH-BBRMVZONSA-N 0 0 332.400 3.190 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600551754 460521142 /nfs/dbraw/zinc/52/11/42/460521142.db2.gz HJRVVJFXGXPAHO-GHMZBOCLSA-N 0 0 346.305 3.003 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)nn1CC ZINC000600605389 460542237 /nfs/dbraw/zinc/54/22/37/460542237.db2.gz MYKHSVBFGACHOS-CQSZACIVSA-N 0 0 330.388 3.327 10 5 EGBERN CO[C@](C)(CNc1ncc(F)cc1[N+](=O)[O-])COCc1ccccc1 ZINC000601194256 460747771 /nfs/dbraw/zinc/74/77/71/460747771.db2.gz WHWSKOVLLDBWMG-QGZVFWFLSA-N 0 0 349.362 3.163 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1S[C@H]1COC(C)(C)C1 ZINC000601201528 460748896 /nfs/dbraw/zinc/74/88/96/460748896.db2.gz PDLCPAYEYZPNFQ-ZCFIWIBFSA-N 0 0 325.312 3.007 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])cc21 ZINC000601204427 460749359 /nfs/dbraw/zinc/74/93/59/460749359.db2.gz MXXJWZCVWLXSNB-SECBINFHSA-N 0 0 330.319 3.343 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCC1(O)CCN(c2ccccc2)CC1 ZINC000601223675 460755448 /nfs/dbraw/zinc/75/54/48/460755448.db2.gz KNGDZKFBLLSSIP-UHFFFAOYSA-N 0 0 341.411 3.428 10 5 EGBERN COc1cc(N2CCO[C@@H](C(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000601232303 460758780 /nfs/dbraw/zinc/75/87/80/460758780.db2.gz SEFAPRBNGVSIDN-LLVKDONJSA-N 0 0 336.722 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C(F)F)CC2)cc1C(F)(F)F ZINC000601230696 460759166 /nfs/dbraw/zinc/75/91/66/460759166.db2.gz DUMDUEZIYQWGLA-NSHDSACASA-N 0 0 340.248 3.474 10 5 EGBERN CC(C)(C(=O)Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])cc1 ZINC000617149180 460759991 /nfs/dbraw/zinc/75/99/91/460759991.db2.gz JRKWDYBPAYQTOH-UHFFFAOYSA-N 0 0 336.351 3.454 10 5 EGBERN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000601243978 460763478 /nfs/dbraw/zinc/76/34/78/460763478.db2.gz JLSMXXGKLYTWAT-SFHVURJKSA-N 0 0 327.384 3.469 10 5 EGBERN CNC(=O)c1ccc(NCC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC000601241847 460764033 /nfs/dbraw/zinc/76/40/33/460764033.db2.gz KIXNLKLGNYYZFL-INIZCTEOSA-N 0 0 347.415 3.106 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CCC3)[C@@H]3CCCO3)c21 ZINC000601250910 460765328 /nfs/dbraw/zinc/76/53/28/460765328.db2.gz SHWQAPYYMNTQRF-HOCLYGCPSA-N 0 0 328.372 3.298 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000601252331 460766250 /nfs/dbraw/zinc/76/62/50/460766250.db2.gz ICZJODUHSFJODZ-LXZKKBNFSA-N 0 0 327.384 3.273 10 5 EGBERN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccncc1 ZINC000601354983 460794136 /nfs/dbraw/zinc/79/41/36/460794136.db2.gz ZCKQDOBRPVSXIO-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000601363722 460795748 /nfs/dbraw/zinc/79/57/48/460795748.db2.gz VAAGLKSZWNRLIB-LSDHHAIUSA-N 0 0 329.356 3.483 10 5 EGBERN CN(CCc1nccs1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367126 460796880 /nfs/dbraw/zinc/79/68/80/460796880.db2.gz MLYOKLLKTIHMHS-UHFFFAOYSA-N 0 0 345.424 3.174 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612998827 460798481 /nfs/dbraw/zinc/79/84/81/460798481.db2.gz QITHBEDQHQAJJY-GFCCVEGCSA-N 0 0 345.374 3.326 10 5 EGBERN C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000613027405 460808129 /nfs/dbraw/zinc/80/81/29/460808129.db2.gz XOXUECLQRYGDQB-HZMBPMFUSA-N 0 0 326.343 3.218 10 5 EGBERN CCC(O)(CC)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601518544 460823049 /nfs/dbraw/zinc/82/30/49/460823049.db2.gz LWBJTYIYMOYRJI-UHFFFAOYSA-N 0 0 334.416 3.074 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601544700 460828821 /nfs/dbraw/zinc/82/88/21/460828821.db2.gz ASXYNMAIUWQAHH-SFHVURJKSA-N 0 0 346.427 3.434 10 5 EGBERN O=C(N[C@@H](C1CC1)C(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601583801 460838636 /nfs/dbraw/zinc/83/86/36/460838636.db2.gz ZNEOTUZFTNLDQL-ZDUSSCGKSA-N 0 0 342.317 3.474 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000601659997 460860137 /nfs/dbraw/zinc/86/01/37/460860137.db2.gz QHVNKTQDBLFYSP-HNNXBMFYSA-N 0 0 341.367 3.018 10 5 EGBERN CCOc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000601700038 460875411 /nfs/dbraw/zinc/87/54/11/460875411.db2.gz GZDXSPAKAQNMLQ-UHFFFAOYSA-N 0 0 341.367 3.445 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(CCF)CC1 ZINC000601745081 460888121 /nfs/dbraw/zinc/88/81/21/460888121.db2.gz QJCKLKWRSHCRBA-UHFFFAOYSA-N 0 0 335.379 3.381 10 5 EGBERN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601778633 460896014 /nfs/dbraw/zinc/89/60/14/460896014.db2.gz OLGTWVDFUSKXCX-RPVQJOFSSA-N 0 0 334.416 3.135 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000601882068 460934420 /nfs/dbraw/zinc/93/44/20/460934420.db2.gz HPCGKDYNLNFWBV-IAGOWNOFSA-N 0 0 343.383 3.154 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601885554 460936834 /nfs/dbraw/zinc/93/68/34/460936834.db2.gz QINHZYBKAXWNBJ-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN C[C@H](C(=O)NCC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617748825 460965561 /nfs/dbraw/zinc/96/55/61/460965561.db2.gz ISUMIZWGWPCPHE-BBRMVZONSA-N 0 0 334.416 3.410 10 5 EGBERN C[C@@H](C(=O)N1CC[C@@H](Cc2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762852 460969827 /nfs/dbraw/zinc/96/98/27/460969827.db2.gz DUZPINIVEBJMAD-ZBFHGGJFSA-N 0 0 339.395 3.185 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]1C(F)F ZINC000633229310 461013836 /nfs/dbraw/zinc/01/38/36/461013836.db2.gz AAGIEAJHOCUCIN-INIZCTEOSA-N 0 0 342.345 3.021 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000178554131 533837323 /nfs/dbraw/zinc/83/73/23/533837323.db2.gz ZOMNNDFYDBRYBP-OAHLLOKOSA-N 0 0 326.352 3.086 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(CCC(F)(F)F)c1 ZINC000181491208 534563780 /nfs/dbraw/zinc/56/37/80/534563780.db2.gz DAFWWYOMBMNYPA-UHFFFAOYSA-N 0 0 343.261 3.101 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000180698417 528330368 /nfs/dbraw/zinc/33/03/68/528330368.db2.gz ATBZNIBMGNNITA-VXGBXAGGSA-N 0 0 338.429 3.345 10 5 EGBERN CC(C)c1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000179520425 528423216 /nfs/dbraw/zinc/42/32/16/528423216.db2.gz FKRSJDNLVVKYCB-UHFFFAOYSA-N 0 0 329.404 3.011 10 5 EGBERN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000160992331 529209568 /nfs/dbraw/zinc/20/95/68/529209568.db2.gz YTPXFYDJDSMVRE-LSDHHAIUSA-N 0 0 336.436 3.225 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000346426090 535800273 /nfs/dbraw/zinc/80/02/73/535800273.db2.gz FUXMAHIFJWDXGL-MRXNPFEDSA-N 0 0 332.331 3.107 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351608618 536706748 /nfs/dbraw/zinc/70/67/48/536706748.db2.gz ICPQWIIDKFADTG-OAHLLOKOSA-N 0 0 333.319 3.243 10 5 EGBERN COCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338060163 536727964 /nfs/dbraw/zinc/72/79/64/536727964.db2.gz NPZCWLVYYZEKFP-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@H](C)CO ZINC000154799931 546895334 /nfs/dbraw/zinc/89/53/34/546895334.db2.gz FXGZKCNPFKXYOO-GFCCVEGCSA-N 0 0 328.437 3.290 10 5 EGBERN Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000000900926 560179800 /nfs/dbraw/zinc/17/98/00/560179800.db2.gz UFHGABBBZRPRJV-UHFFFAOYSA-N 0 0 347.326 3.302 10 5 biogenic,in-vitro EGBERN Cc1cc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)c(N)c([N+](=O)[O-])c1 ZINC000727899061 574699893 /nfs/dbraw/zinc/69/98/93/574699893.db2.gz GEJVDIKUZPKRQR-VIFPVBQESA-N 0 0 348.359 3.084 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1c(F)cccc1F ZINC000728201316 574729153 /nfs/dbraw/zinc/72/91/53/574729153.db2.gz DYYRZLOXSYOXCE-SNVBAGLBSA-N 0 0 347.321 3.263 10 5 EGBERN O=C(OCc1cn2ccccc2n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000728340692 574740940 /nfs/dbraw/zinc/74/09/40/574740940.db2.gz MQVGABBRZOKRTA-UHFFFAOYSA-N 0 0 336.307 3.081 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000730015867 574903990 /nfs/dbraw/zinc/90/39/90/574903990.db2.gz YDIVZYWGZRDJBC-SNVBAGLBSA-N 0 0 331.284 3.124 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000730353780 574975569 /nfs/dbraw/zinc/97/55/69/574975569.db2.gz ZXFDCHFIXKYFBU-QZTJIDSGSA-N 0 0 341.363 3.493 10 5 EGBERN O=C(OCCCCCn1cccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000733474338 575349399 /nfs/dbraw/zinc/34/93/99/575349399.db2.gz KEUPEBUAZWCSHQ-UHFFFAOYSA-N 0 0 342.355 3.300 10 5 EGBERN Cc1c(COC(=O)c2cc(Cl)nc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000733569454 575362752 /nfs/dbraw/zinc/36/27/52/575362752.db2.gz ATNGUTJJHXEZSL-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN C[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccccc1[N+](=O)[O-] ZINC000734707389 575544295 /nfs/dbraw/zinc/54/42/95/575544295.db2.gz KPFVSMSUAQHMFF-LBPRGKRZSA-N 0 0 338.323 3.094 10 5 EGBERN C[C@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000735138258 575605819 /nfs/dbraw/zinc/60/58/19/575605819.db2.gz DOVFQAMQFMASNS-CQSZACIVSA-N 0 0 332.356 3.360 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(N2CCOC2=O)cc1 ZINC000735487359 575668514 /nfs/dbraw/zinc/66/85/14/575668514.db2.gz VGWLXMWQSVUXMI-NSHDSACASA-N 0 0 328.328 3.120 10 5 EGBERN CC(C)C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000735487540 575668647 /nfs/dbraw/zinc/66/86/47/575668647.db2.gz MVWIVBIWARKQQG-CYBMUJFWSA-N 0 0 338.408 3.341 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cnn(CC3CC3)c2)c([N+](=O)[O-])c1 ZINC000742430447 576783549 /nfs/dbraw/zinc/78/35/49/576783549.db2.gz RIHZMECXLFBQAV-ALCCZGGFSA-N 0 0 342.355 3.131 10 5 EGBERN Cc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c(N)c([N+](=O)[O-])c1 ZINC000743789875 576815938 /nfs/dbraw/zinc/81/59/38/576815938.db2.gz ZKDFLFUPIROZNP-SNVBAGLBSA-N 0 0 349.337 3.297 10 5 EGBERN CNC(=O)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000121971368 1293398288 /nfs/dbraw/zinc/39/82/88/1293398288.db2.gz LUPRKMQMZNPQAW-UHFFFAOYSA-N 0 0 333.775 3.149 10 5 EGBERN C[C@]1(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000177254747 1294662500 /nfs/dbraw/zinc/66/25/00/1294662500.db2.gz XAVCIMMYLGNDLK-CYBMUJFWSA-N 0 0 344.161 3.083 10 5 EGBERN COc1cnc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000869974131 1295569497 /nfs/dbraw/zinc/56/94/97/1295569497.db2.gz KRBZLSXXYGGHLG-SNVBAGLBSA-N 0 0 334.303 3.364 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000870015910 1295598689 /nfs/dbraw/zinc/59/86/89/1295598689.db2.gz FGKGGSKTQOCFFQ-KRWDZBQOSA-N 0 0 338.379 3.185 10 5 EGBERN C[C@@H](c1ccccc1F)[C@H](O)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000870073752 1295627051 /nfs/dbraw/zinc/62/70/51/1295627051.db2.gz HYJCWGYCNWDIPG-XPTSAGLGSA-N 0 0 339.344 3.003 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000870723414 1296044846 /nfs/dbraw/zinc/04/48/46/1296044846.db2.gz AYUBLUFFUJUYLY-ONGXEEELSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1c(CC(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000870823539 1296103188 /nfs/dbraw/zinc/10/31/88/1296103188.db2.gz VUDVHJHMXUFZEA-HAQNSBGRSA-N 0 0 347.289 3.099 10 5 EGBERN O=C(/C=C/Sc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827299 1296104349 /nfs/dbraw/zinc/10/43/49/1296104349.db2.gz XJQIUYUEHLFUNM-VOTSOKGWSA-N 0 0 345.380 3.344 10 5 EGBERN Cc1ccc(CCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000870826868 1296104500 /nfs/dbraw/zinc/10/45/00/1296104500.db2.gz PFJGJPKLBYONPS-UHFFFAOYSA-N 0 0 343.383 3.288 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCc2ccccc21 ZINC000870826700 1296104570 /nfs/dbraw/zinc/10/45/70/1296104570.db2.gz KLVSMEOHEDUERN-PGEKIEPBSA-N 0 0 341.367 3.158 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc(F)cc(Cl)c1 ZINC000870829236 1296106404 /nfs/dbraw/zinc/10/64/04/1296106404.db2.gz JAOZWWQDTMWNEQ-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830496 1296107536 /nfs/dbraw/zinc/10/75/36/1296107536.db2.gz DUJYLRNQVVKUOL-UHFFFAOYSA-N 0 0 335.282 3.017 10 5 EGBERN C[C@@H](Cc1ccc(F)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830232 1296107672 /nfs/dbraw/zinc/10/76/72/1296107672.db2.gz XXLGIRICASOOJW-WJFWJRBTSA-N 0 0 347.346 3.056 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000871094969 1296221887 /nfs/dbraw/zinc/22/18/87/1296221887.db2.gz CJPNAWZKZZVLIG-JOCQHMNTSA-N 0 0 338.432 3.305 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000871162672 1296251309 /nfs/dbraw/zinc/25/13/09/1296251309.db2.gz GQFFOILQWYZCKU-OAHLLOKOSA-N 0 0 336.388 3.071 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871303180 1296333218 /nfs/dbraw/zinc/33/32/18/1296333218.db2.gz XBNNHAJZPBRINA-IAQYHMDHSA-N 0 0 338.791 3.183 10 5 EGBERN CC(C)O[C@]1(COc2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000871693507 1296483559 /nfs/dbraw/zinc/48/35/59/1296483559.db2.gz BLBLXIGWOOZGEI-CQSZACIVSA-N 0 0 333.743 3.350 10 5 EGBERN Cc1ccc(Cn2c3ccccc3nc2NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000871721064 1296500096 /nfs/dbraw/zinc/50/00/96/1296500096.db2.gz RPYSQRDAONZEMI-CYBMUJFWSA-N 0 0 340.383 3.094 10 5 EGBERN COC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1C ZINC000871920914 1296612758 /nfs/dbraw/zinc/61/27/58/1296612758.db2.gz KMDHXLNNIXSARJ-KRWDZBQOSA-N 0 0 328.368 3.216 10 5 EGBERN COCCOc1ncccc1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022214 1296665572 /nfs/dbraw/zinc/66/55/72/1296665572.db2.gz HTYFKTZIFCFEKU-GFCCVEGCSA-N 0 0 349.362 3.005 10 5 EGBERN COCCOc1ccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025836 1296670990 /nfs/dbraw/zinc/67/09/90/1296670990.db2.gz UNSQSGNXOGARHG-GFCCVEGCSA-N 0 0 349.362 3.005 10 5 EGBERN CCO[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000872061525 1296708957 /nfs/dbraw/zinc/70/89/57/1296708957.db2.gz FRCXYGFPGJCEDI-ZYIUAKIQSA-N 0 0 338.379 3.111 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872753486 1297092330 /nfs/dbraw/zinc/09/23/30/1297092330.db2.gz WGNGATRXLXKVDB-XPTSAGLGSA-N 0 0 346.305 3.344 10 5 EGBERN CC1(C)CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000879363654 1300502265 /nfs/dbraw/zinc/50/22/65/1300502265.db2.gz CBPJARBUATYGHH-NSHDSACASA-N 0 0 334.372 3.065 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)OC1 ZINC000881514774 1301590359 /nfs/dbraw/zinc/59/03/59/1301590359.db2.gz CEJTVUAKUCLLLW-OWCLPIDISA-N 0 0 332.400 3.020 10 5 EGBERN CC[C@]1(CCc2ccccc2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000882036336 1301798689 /nfs/dbraw/zinc/79/86/89/1301798689.db2.gz WXWPLPWYWAQQBD-GOSISDBHSA-N 0 0 342.399 3.336 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CCC3(CCOCC3)CO2)cccc1[N+](=O)[O-] ZINC000882785172 1302104385 /nfs/dbraw/zinc/10/43/85/1302104385.db2.gz AXOOBZDFLKVQDR-AWEZNQCLSA-N 0 0 348.399 3.185 10 5 EGBERN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000887401590 1303781863 /nfs/dbraw/zinc/78/18/63/1303781863.db2.gz ZFJLSTXTWOPSLK-VBNZEHGJSA-N 0 0 325.368 3.013 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000889886566 1304615699 /nfs/dbraw/zinc/61/56/99/1304615699.db2.gz WMBIQHDVNURQPP-HRCADAONSA-N 0 0 331.416 3.357 10 5 EGBERN C/C(=C\C(=O)N1CCOC[C@]1(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000890589881 1304826779 /nfs/dbraw/zinc/82/67/79/1304826779.db2.gz WZXIRXFDDBTZOG-IYPOZPNPSA-N 0 0 330.384 3.026 10 5 EGBERN C[C@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000893509979 1305940896 /nfs/dbraw/zinc/94/08/96/1305940896.db2.gz AQFMQKBDPLEZOJ-CXAGYDPISA-N 0 0 349.383 3.306 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCn2c(C)cnc21 ZINC000893525862 1305951013 /nfs/dbraw/zinc/95/10/13/1305951013.db2.gz ZWHHWSNHOGZHEB-GDBMZVCRSA-N 0 0 343.383 3.357 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCn2c(C)cnc21 ZINC000893525227 1305951156 /nfs/dbraw/zinc/95/11/56/1305951156.db2.gz XBTGSRQQCRFUQJ-SLZMIMFISA-N 0 0 327.340 3.191 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893890534 1306116149 /nfs/dbraw/zinc/11/61/49/1306116149.db2.gz KMYNTKRTAPSVCQ-LLVKDONJSA-N 0 0 346.412 3.200 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894699422 1309027358 /nfs/dbraw/zinc/02/73/58/1309027358.db2.gz FBUPOMFASHMCBB-XHDPSFHLSA-N 0 0 338.791 3.198 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894706486 1309029958 /nfs/dbraw/zinc/02/99/58/1309029958.db2.gz XLKGVYZOSYXHCP-WMLDXEAASA-N 0 0 332.400 3.359 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC2(C3CC3)CCC2)cc1SC ZINC000895359645 1309299556 /nfs/dbraw/zinc/29/95/56/1309299556.db2.gz ANUQYMFRRSZXRD-UHFFFAOYSA-N 0 0 336.413 3.388 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000895365640 1309302545 /nfs/dbraw/zinc/30/25/45/1309302545.db2.gz HUGQYTZMAYYYMM-UHFFFAOYSA-N 0 0 329.400 3.258 10 5 EGBERN CC(=O)c1cc(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000895594096 1309419900 /nfs/dbraw/zinc/41/99/00/1309419900.db2.gz HZKNGJWKTPFCPB-RUCARUNLSA-N 0 0 340.379 3.302 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C3C[C@H]4CC[C@@H](C3)S4)n2)nc1 ZINC000896145007 1309719303 /nfs/dbraw/zinc/71/93/03/1309719303.db2.gz WXPUSXGFXATONC-MVCUKOFQSA-N 0 0 332.385 3.105 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1C ZINC000899019288 1310913452 /nfs/dbraw/zinc/91/34/52/1310913452.db2.gz HNICTLLYLQHNGP-MGPLVRAMSA-N 0 0 342.342 3.096 10 5 EGBERN COc1cc(CCC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000857594550 1328558005 /nfs/dbraw/zinc/55/80/05/1328558005.db2.gz WABBOAKJDSFFCS-NSHDSACASA-N 0 0 334.328 3.137 10 5 EGBERN COCC1(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000857634188 1328570631 /nfs/dbraw/zinc/57/06/31/1328570631.db2.gz GFFUVNLZITZPDS-UHFFFAOYSA-N 0 0 338.316 3.005 10 5 EGBERN Cc1ncccc1[C@@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000857665151 1328579079 /nfs/dbraw/zinc/57/90/79/1328579079.db2.gz KHGUTLIWDYSRHH-LLVKDONJSA-N 0 0 347.346 3.421 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000899460539 1317045918 /nfs/dbraw/zinc/04/59/18/1317045918.db2.gz CHBKHNOLMCJFHD-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000899465233 1317047602 /nfs/dbraw/zinc/04/76/02/1317047602.db2.gz CAUHHSYMFJKLRD-GFCCVEGCSA-N 0 0 343.383 3.155 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2ncccn2)C1 ZINC000899536666 1317077825 /nfs/dbraw/zinc/07/78/25/1317077825.db2.gz GHWNAOQVRZJWOI-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858097293 1328682260 /nfs/dbraw/zinc/68/22/60/1328682260.db2.gz HYCYWFQRRSHZRO-UHFFFAOYSA-N 0 0 349.387 3.180 10 5 EGBERN CCc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000899911625 1317199078 /nfs/dbraw/zinc/19/90/78/1317199078.db2.gz SIRHKYZPPQVBNU-UHFFFAOYSA-N 0 0 328.372 3.054 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000913385101 1319020321 /nfs/dbraw/zinc/02/03/21/1319020321.db2.gz PHXJBWAXNOOCSU-VIFPVBQESA-N 0 0 332.784 3.147 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913668404 1319092425 /nfs/dbraw/zinc/09/24/25/1319092425.db2.gz ZFOJZBRVNWTOOT-SMDDNHRTSA-N 0 0 340.807 3.207 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000914238472 1319274375 /nfs/dbraw/zinc/27/43/75/1319274375.db2.gz FOQGNJTVZGUZFY-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[C@@H]1CCCC1(F)F ZINC000914415715 1319321256 /nfs/dbraw/zinc/32/12/56/1319321256.db2.gz XFLIRJATUZYQSX-NSHDSACASA-N 0 0 330.306 3.218 10 5 EGBERN CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C)cc1 ZINC000914475066 1319333562 /nfs/dbraw/zinc/33/35/62/1319333562.db2.gz FJZWITSCVOSAAE-UHFFFAOYSA-N 0 0 328.324 3.299 10 5 EGBERN COc1cc(C)ccc1C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000914640236 1319358744 /nfs/dbraw/zinc/35/87/44/1319358744.db2.gz ZUMZZRGARQTXMS-UHFFFAOYSA-N 0 0 349.364 3.321 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000914787217 1319377229 /nfs/dbraw/zinc/37/72/29/1319377229.db2.gz DEOISBSAQQICBE-HYXAFXHYSA-N 0 0 332.381 3.497 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCOC12CCCC2 ZINC000930317904 1328832177 /nfs/dbraw/zinc/83/21/77/1328832177.db2.gz XVGDPYHLNHFLQY-AWEZNQCLSA-N 0 0 333.388 3.435 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000858691978 1328832769 /nfs/dbraw/zinc/83/27/69/1328832769.db2.gz NYDNTHPXHQHKFB-SECBINFHSA-N 0 0 341.161 3.031 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SCCO[C@@H]3CCOC3)sc2c1 ZINC000915675044 1319517384 /nfs/dbraw/zinc/51/73/84/1319517384.db2.gz VFRFHCDHMXOPDT-SNVBAGLBSA-N 0 0 326.399 3.102 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](c2nccs2)C1 ZINC000916225774 1319620521 /nfs/dbraw/zinc/62/05/21/1319620521.db2.gz LORFNQDZWUSGLW-VIFPVBQESA-N 0 0 337.788 3.334 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000858733664 1328845508 /nfs/dbraw/zinc/84/55/08/1328845508.db2.gz JPZBLNANRVXDOF-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN CC(=O)c1ccc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000917346390 1319793617 /nfs/dbraw/zinc/79/36/17/1319793617.db2.gz AMJNVKYMRGOMGX-MFKMUULPSA-N 0 0 333.262 3.286 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OCc2noc3c2COCC3)cc1Cl ZINC000918660142 1319985193 /nfs/dbraw/zinc/98/51/93/1319985193.db2.gz XORRUJYTELKYQV-UHFFFAOYSA-N 0 0 328.683 3.027 10 5 EGBERN COc1c(F)nccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000930556877 1328895803 /nfs/dbraw/zinc/89/58/03/1328895803.db2.gz WOVKNCOQRLONFC-UHFFFAOYSA-N 0 0 347.346 3.188 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000930769333 1328964933 /nfs/dbraw/zinc/96/49/33/1328964933.db2.gz OMCWGOCKBFLGCA-KOLCDFICSA-N 0 0 325.390 3.009 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000930771403 1328965397 /nfs/dbraw/zinc/96/53/97/1328965397.db2.gz DFSZYEVNSZETBO-LLVKDONJSA-N 0 0 339.417 3.399 10 5 EGBERN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)(C)C ZINC000859422874 1328984851 /nfs/dbraw/zinc/98/48/51/1328984851.db2.gz CIGDWJNVPPOFPU-OAHLLOKOSA-N 0 0 344.367 3.066 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccco1 ZINC000920147741 1322145147 /nfs/dbraw/zinc/14/51/47/1322145147.db2.gz WNQMCOSYVFTNTH-UHFFFAOYSA-N 0 0 345.229 3.442 10 5 EGBERN CC[C@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335513 1322294984 /nfs/dbraw/zinc/29/49/84/1322294984.db2.gz LMXJCXRAJWDBAC-JKSUJKDBSA-N 0 0 347.415 3.447 10 5 EGBERN COC1CCC(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000921346853 1322297678 /nfs/dbraw/zinc/29/76/78/1322297678.db2.gz SDKSDKJIRPUWOX-VEAWUBTESA-N 0 0 335.404 3.160 10 5 EGBERN CC(C)(C(=O)COC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000859570588 1329021110 /nfs/dbraw/zinc/02/11/10/1329021110.db2.gz FERIAPDOLRWXSZ-UHFFFAOYSA-N 0 0 341.363 3.227 10 5 EGBERN Cc1sc(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922319448 1322500115 /nfs/dbraw/zinc/50/01/15/1322500115.db2.gz DTUPKNNRIXJPRC-XVKPBYJWSA-N 0 0 339.291 3.231 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000922432568 1322528330 /nfs/dbraw/zinc/52/83/30/1322528330.db2.gz RGTWQZZYHYUJBF-QWRGUYRKSA-N 0 0 337.225 3.001 10 5 EGBERN CCO[C@H](COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000859618084 1329036389 /nfs/dbraw/zinc/03/63/89/1329036389.db2.gz KIJZRZSDVMJVOF-OAHLLOKOSA-N 0 0 330.340 3.115 10 5 EGBERN CCO[C@H](COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000859626539 1329038231 /nfs/dbraw/zinc/03/82/31/1329038231.db2.gz MBNBBPARUQINCT-CYBMUJFWSA-N 0 0 345.298 3.168 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000923125083 1322697741 /nfs/dbraw/zinc/69/77/41/1322697741.db2.gz XYFNYLDVEJXAJY-KCXAZCMYSA-N 0 0 335.404 3.303 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc([C@]23CCO[C@@H]2CCCC3)n1 ZINC000923760745 1322803527 /nfs/dbraw/zinc/80/35/27/1322803527.db2.gz MTKWDBJIJBKOHM-RHSMWYFYSA-N 0 0 329.356 3.169 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2ccnn2C2CCC2)n1 ZINC000923759401 1322803899 /nfs/dbraw/zinc/80/38/99/1322803899.db2.gz AEXFIKFKHWWIPC-UHFFFAOYSA-N 0 0 325.328 3.157 10 5 EGBERN CSCC1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000923911389 1322845151 /nfs/dbraw/zinc/84/51/51/1322845151.db2.gz FDONRQPBIUASFB-UHFFFAOYSA-N 0 0 337.445 3.188 10 5 EGBERN COC1(c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCCC1 ZINC000923976815 1322862365 /nfs/dbraw/zinc/86/23/65/1322862365.db2.gz OLOFAGSTHBDDLF-UHFFFAOYSA-N 0 0 335.335 3.318 10 5 EGBERN CC(C)(C)OCCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859688096 1329055344 /nfs/dbraw/zinc/05/53/44/1329055344.db2.gz CBOIOBBMYGMACK-UHFFFAOYSA-N 0 0 341.335 3.055 10 5 EGBERN CC(C)(CCc1noc(C[C@@H]2C[C@H]2Cc2ccccc2)n1)[N+](=O)[O-] ZINC000924079046 1322892143 /nfs/dbraw/zinc/89/21/43/1322892143.db2.gz QTJCYMYUXRIPOM-CABCVRRESA-N 0 0 329.400 3.479 10 5 EGBERN Cc1cc(-c2noc(C[C@@H]3CC[C@H](C4CC4)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092334 1322898283 /nfs/dbraw/zinc/89/82/83/1322898283.db2.gz CYEDCTHAFINQGQ-LSDHHAIUSA-N 0 0 329.356 3.453 10 5 EGBERN O=C(COC(=O)C1(F)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859695651 1329056752 /nfs/dbraw/zinc/05/67/52/1329056752.db2.gz YQMVUIZTNSBNCG-UHFFFAOYSA-N 0 0 327.283 3.132 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@@H]1CC=CCC1 ZINC000924243462 1322950357 /nfs/dbraw/zinc/95/03/57/1322950357.db2.gz FDXWBAOJJNJMPZ-CYBMUJFWSA-N 0 0 332.356 3.131 10 5 EGBERN CCO[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1 ZINC000859720572 1329063389 /nfs/dbraw/zinc/06/33/89/1329063389.db2.gz QPKSEGAVDODKCY-INIZCTEOSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)OCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931147091 1329060554 /nfs/dbraw/zinc/06/05/54/1329060554.db2.gz RILZPFNZBDIPKX-UHFFFAOYSA-N 0 0 328.796 3.112 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)C[C@H]1CCCC1(F)F ZINC000924333945 1322986745 /nfs/dbraw/zinc/98/67/45/1322986745.db2.gz ABFMEDGPQXXRDM-LLVKDONJSA-N 0 0 329.299 3.472 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000924493904 1323037298 /nfs/dbraw/zinc/03/72/98/1323037298.db2.gz MHLVACQXJHGSQU-BXKDBHETSA-N 0 0 347.293 3.135 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC1CC1 ZINC000931262184 1329081064 /nfs/dbraw/zinc/08/10/64/1329081064.db2.gz MYQVTHWDMZUZAL-AWEZNQCLSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(OCCC1OCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811472 1329083465 /nfs/dbraw/zinc/08/34/65/1329083465.db2.gz QUFPLDDDYSDLNA-UHFFFAOYSA-N 0 0 331.324 3.058 10 5 EGBERN C[C@@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000859927210 1329111406 /nfs/dbraw/zinc/11/14/06/1329111406.db2.gz AQLAYFHQLVIWMW-SECBINFHSA-N 0 0 325.271 3.033 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@]2(C)Br)cc1[N+](=O)[O-] ZINC000859907087 1329109411 /nfs/dbraw/zinc/10/94/11/1329109411.db2.gz SWQMZYHPUDOBKO-NURSFMCSSA-N 0 0 341.205 3.254 10 5 EGBERN COC(=O)c1oc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000859968439 1329120540 /nfs/dbraw/zinc/12/05/40/1329120540.db2.gz CZUZAHVSEYVGBQ-SNVBAGLBSA-N 0 0 333.296 3.201 10 5 EGBERN CC[C@@H](C[C@H](C)CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860167925 1329164450 /nfs/dbraw/zinc/16/44/50/1329164450.db2.gz POHHUXCXNLLDOE-JSGCOSHPSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCC12CC2 ZINC000860177198 1329166631 /nfs/dbraw/zinc/16/66/31/1329166631.db2.gz NAURYYDJSVQJSY-ZDUSSCGKSA-N 0 0 343.339 3.268 10 5 EGBERN COc1c(C(=O)N=[S@@](C)(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000926025022 1325392294 /nfs/dbraw/zinc/39/22/94/1325392294.db2.gz LWPZOJWVUHYXQI-QHCPKHFHSA-N 0 0 340.401 3.174 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CCCO1 ZINC000860420234 1329314892 /nfs/dbraw/zinc/31/48/92/1329314892.db2.gz KOLQFLJIGHSVQD-DLBZAZTESA-N 0 0 328.368 3.435 10 5 EGBERN CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860460869 1329320028 /nfs/dbraw/zinc/32/00/28/1329320028.db2.gz ARTWNVXGSSFXNZ-HNNXBMFYSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCS1 ZINC000927247141 1327931016 /nfs/dbraw/zinc/93/10/16/1327931016.db2.gz MOBMVVBVWMTGMX-OCCSQVGLSA-N 0 0 337.445 3.063 10 5 EGBERN COc1c(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000927298823 1327962822 /nfs/dbraw/zinc/96/28/22/1327962822.db2.gz JNDSXGAWEPQUPY-IFXJQAMLSA-N 0 0 338.363 3.017 10 5 EGBERN COC[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927596355 1328074146 /nfs/dbraw/zinc/07/41/46/1328074146.db2.gz ORFOWJWVAMCHIZ-ZDUSSCGKSA-N 0 0 337.420 3.048 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000861203008 1329396973 /nfs/dbraw/zinc/39/69/73/1329396973.db2.gz STBCDIHVKCIKIB-UHFFFAOYSA-N 0 0 330.335 3.370 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000928210891 1328238227 /nfs/dbraw/zinc/23/82/27/1328238227.db2.gz CCNSSTCOZFYRTN-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928277152 1328272636 /nfs/dbraw/zinc/27/26/36/1328272636.db2.gz CRRWGUQRZGWQLT-CQSZACIVSA-N 0 0 345.424 3.075 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](Cc2nccs2)C1 ZINC000928281225 1328274647 /nfs/dbraw/zinc/27/46/47/1328274647.db2.gz VIJBGBVLFOWHEM-CYBMUJFWSA-N 0 0 345.424 3.075 10 5 EGBERN C/C(=C/C(=O)N1CCC[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928367551 1328290059 /nfs/dbraw/zinc/29/00/59/1328290059.db2.gz IGUWKHMCYPHYSW-QOHRORDFSA-N 0 0 340.383 3.095 10 5 EGBERN C[C@H]1CC(C)(C)c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c21 ZINC000928588526 1328365894 /nfs/dbraw/zinc/36/58/94/1328365894.db2.gz WEDZEPVBGNOUKL-JTQLQIEISA-N 0 0 328.372 3.365 10 5 EGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C2CC2)O1 ZINC000861430712 1329417657 /nfs/dbraw/zinc/41/76/57/1329417657.db2.gz FFERBPCOBCHWLO-SGTLLEGYSA-N 0 0 340.379 3.388 10 5 EGBERN COC/C(C)=C/C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445913 1329418885 /nfs/dbraw/zinc/41/88/85/1329418885.db2.gz PSDBORRTTBHOBP-XOVSCCBYSA-N 0 0 333.262 3.334 10 5 EGBERN Cc1c(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cnn1C ZINC000861445308 1329418911 /nfs/dbraw/zinc/41/89/11/1329418911.db2.gz ZZECRVBEKDPGPS-GFCCVEGCSA-N 0 0 343.261 3.097 10 5 EGBERN CC(C)C[C@@H]1C(=O)N(C[C@@H](C)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000929003079 1328487522 /nfs/dbraw/zinc/48/75/22/1328487522.db2.gz QVXYSVMFXSWHHP-IUODEOHRSA-N 0 0 333.388 3.007 10 5 EGBERN CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000861786198 1329441905 /nfs/dbraw/zinc/44/19/05/1329441905.db2.gz SIYCGDJWPCCAMH-SFHVURJKSA-N 0 0 328.368 3.293 10 5 EGBERN COCC1(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000862095072 1329458488 /nfs/dbraw/zinc/45/84/88/1329458488.db2.gz UIDCFHFHXVUVBI-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@](O)(C2CC2)C1 ZINC000862188552 1329464695 /nfs/dbraw/zinc/46/46/95/1329464695.db2.gz NUOSHUNQPPUMER-IBGZPJMESA-N 0 0 340.379 3.125 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[C@@H]1CC=CCC1 ZINC000862948745 1329519563 /nfs/dbraw/zinc/51/95/63/1329519563.db2.gz OMYOJMPVQBIIQP-CYBMUJFWSA-N 0 0 347.371 3.298 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863000086 1329521718 /nfs/dbraw/zinc/52/17/18/1329521718.db2.gz RKKNLSCXMNYQES-OUDXYJABSA-N 0 0 347.198 3.443 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000862999946 1329521744 /nfs/dbraw/zinc/52/17/44/1329521744.db2.gz QLKHBFSMAGMERD-QSDJMHMYSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccns2)c1 ZINC000863603470 1329565896 /nfs/dbraw/zinc/56/58/96/1329565896.db2.gz FEUYYHYDEUYNDC-NSHDSACASA-N 0 0 335.385 3.006 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccns1 ZINC000863604676 1329566381 /nfs/dbraw/zinc/56/63/81/1329566381.db2.gz ZEKHJWTXWQDEMU-VHSXEESVSA-N 0 0 337.426 3.409 10 5 EGBERN Cc1ccc(NC(=O)c2cccn(C(C)(C)C)c2=O)cc1[N+](=O)[O-] ZINC000864404640 1329612084 /nfs/dbraw/zinc/61/20/84/1329612084.db2.gz JQXGBEALXLVUNS-UHFFFAOYSA-N 0 0 329.356 3.072 10 5 EGBERN CC(C)(CNc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1CCCCO1 ZINC000865610605 1329719570 /nfs/dbraw/zinc/71/95/70/1329719570.db2.gz SOTKMCBBDPDAHS-HNNXBMFYSA-N 0 0 326.368 3.233 10 5 EGBERN COCc1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1OC ZINC000865974691 1329756143 /nfs/dbraw/zinc/75/61/43/1329756143.db2.gz OGBRWDPWWYHROC-UHFFFAOYSA-N 0 0 336.319 3.125 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H]1O ZINC000866001038 1329758065 /nfs/dbraw/zinc/75/80/65/1329758065.db2.gz ADEZDHZNFPAKFG-XKQJLSEDSA-N 0 0 327.384 3.129 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@H](c3cccnc3)C2)cc1F ZINC000866018751 1329759403 /nfs/dbraw/zinc/75/94/03/1329759403.db2.gz SFILWMBAHMSXGQ-ZDUSSCGKSA-N 0 0 331.347 3.005 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000866039702 1330058467 /nfs/dbraw/zinc/05/84/67/1330058467.db2.gz DHQBKVMLQLIDJC-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN CCC(=O)c1ccc(N2CCCCCCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000866055682 1330060518 /nfs/dbraw/zinc/06/05/18/1330060518.db2.gz BMAOUUWZEOWAGD-UHFFFAOYSA-N 0 0 347.415 3.074 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000866079443 1330063197 /nfs/dbraw/zinc/06/31/97/1330063197.db2.gz RBZQNRYRMXJHQJ-OWKNBALPSA-N 0 0 332.425 3.461 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CCC3)[C@H]3CCOC3)cc2N1 ZINC000866144174 1330070099 /nfs/dbraw/zinc/07/00/99/1330070099.db2.gz XWPUCHXTHOPWCF-SCLBCKFNSA-N 0 0 345.399 3.097 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000866158444 1330071737 /nfs/dbraw/zinc/07/17/37/1330071737.db2.gz UOPIVJSWUCBRAN-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CSC[C@@H]3C2)cc1OC(F)F ZINC000866202545 1330077899 /nfs/dbraw/zinc/07/78/99/1330077899.db2.gz BVRDIJKVSISXCH-ZJUUUORDSA-N 0 0 330.356 3.386 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000866234501 1330082093 /nfs/dbraw/zinc/08/20/93/1330082093.db2.gz UECYNNXLIDOLMB-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN Cn1cc(C(F)F)c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000866564740 1330127528 /nfs/dbraw/zinc/12/75/28/1330127528.db2.gz AMKOOOVDZIXDOA-AWEZNQCLSA-N 0 0 336.342 3.433 10 5 EGBERN CC(C)(CCc1noc(C2C[C@H]3CCCC[C@@H](C2)C3=O)n1)[N+](=O)[O-] ZINC000867015353 1330165705 /nfs/dbraw/zinc/16/57/05/1330165705.db2.gz CKAVXQMCWBWJCS-FUNVUKJBSA-N 0 0 335.404 3.310 10 5 EGBERN O=[N+]([O-])c1cc(OS(=O)(=O)C[C@H]2CCC2(F)F)ccc1Cl ZINC000867275506 1330190772 /nfs/dbraw/zinc/19/07/72/1330190772.db2.gz VCSLHJVKNNGBQP-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])cs1 ZINC000867490568 1330205913 /nfs/dbraw/zinc/20/59/13/1330205913.db2.gz YWYWBKSIYCXSCF-CQSZACIVSA-N 0 0 349.387 3.405 10 5 EGBERN CC(C)=CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867731755 1330217339 /nfs/dbraw/zinc/21/73/39/1330217339.db2.gz NCSYHSKBLVHELA-UHFFFAOYSA-N 0 0 341.205 3.372 10 5 EGBERN Cc1cncc([C@H]2CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000868160039 1330256746 /nfs/dbraw/zinc/25/67/46/1330256746.db2.gz BXBPSEYXWPANOI-QGZVFWFLSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc(CNC(=O)NCc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000868410195 1330277947 /nfs/dbraw/zinc/27/79/47/1330277947.db2.gz DESGJGQRZDCAKP-UHFFFAOYSA-N 0 0 348.428 3.483 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000868655462 1330306700 /nfs/dbraw/zinc/30/67/00/1330306700.db2.gz POLVZUWJZBSLQI-MJEQTWJJSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000868669495 1330311178 /nfs/dbraw/zinc/31/11/78/1330311178.db2.gz XZBSSEWJJCBPQK-CYBMUJFWSA-N 0 0 346.214 3.286 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000868757307 1330333819 /nfs/dbraw/zinc/33/38/19/1330333819.db2.gz ZNKNRJQXUSFYGP-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000869051976 1330402871 /nfs/dbraw/zinc/40/28/71/1330402871.db2.gz WHPHBAMICYRCNT-AWEZNQCLSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1ccc(CNC(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000869052895 1330403008 /nfs/dbraw/zinc/40/30/08/1330403008.db2.gz GAAWOSKHJJMCSI-UHFFFAOYSA-N 0 0 341.358 3.480 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000869053376 1330403099 /nfs/dbraw/zinc/40/30/99/1330403099.db2.gz LLNIATPOQKMBAE-UHFFFAOYSA-N 0 0 335.404 3.002 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869230866 1330442993 /nfs/dbraw/zinc/44/29/93/1330442993.db2.gz ASQURSIYBJBYOB-LBPRGKRZSA-N 0 0 348.349 3.471 10 5 EGBERN O=C(OCc1ccc(CO)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811028 1330569034 /nfs/dbraw/zinc/56/90/34/1330569034.db2.gz NDRGJBRVWGFWFO-UHFFFAOYSA-N 0 0 341.363 3.252 10 5 EGBERN C[C@H]1CCn2cc(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)nc2C1 ZINC000869856178 1330577242 /nfs/dbraw/zinc/57/72/42/1330577242.db2.gz VAHZLZHTLHPWRM-JTQLQIEISA-N 0 0 349.774 3.384 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCOCC(F)(F)F ZINC001184758153 1387530118 /nfs/dbraw/zinc/53/01/18/1387530118.db2.gz LKVHXHLVNUFUSW-UHFFFAOYSA-N 0 0 349.696 3.209 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCCN2CCc3ccccc3C2)c(F)c1 ZINC001184775518 1387535500 /nfs/dbraw/zinc/53/55/00/1387535500.db2.gz OOPWBALCCSKMLT-UHFFFAOYSA-N 0 0 333.338 3.343 10 5 EGBERN COC[C@H](COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)C(C)C ZINC001189667759 1367082087 /nfs/dbraw/zinc/08/20/87/1367082087.db2.gz OSEPNVYUUWRWNS-SSDOTTSWSA-N 0 0 325.258 3.449 10 5 EGBERN CC(C)Oc1nc(N(C)CC2(O)CCCCCC2)ccc1[N+](=O)[O-] ZINC001186194573 1387893897 /nfs/dbraw/zinc/89/38/97/1387893897.db2.gz CWPGSCOETOIQJN-UHFFFAOYSA-N 0 0 337.420 3.299 10 5 EGBERN CCc1nn(C)c(NCc2ccc([Si](C)(C)C)cc2)c1[N+](=O)[O-] ZINC001186221711 1387899971 /nfs/dbraw/zinc/89/99/71/1387899971.db2.gz VVDTWKCBXYBENJ-UHFFFAOYSA-N 0 0 332.480 3.048 10 5 EGBERN C[C@H](NCc1nnc(-c2ccccc2O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001197660683 1368867110 /nfs/dbraw/zinc/86/71/10/1368867110.db2.gz QKIZCZUVVSLZBS-NSHDSACASA-N 0 0 340.339 3.201 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(c2ncccn2)CC1 ZINC001197947464 1368930239 /nfs/dbraw/zinc/93/02/39/1368930239.db2.gz KREYMLHOFIKBTC-UHFFFAOYSA-N 0 0 332.791 3.418 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCCO[C@H](C(C)C)C3)c2c1 ZINC001186564536 1387970924 /nfs/dbraw/zinc/97/09/24/1387970924.db2.gz CGACFCSJNFTAQS-KRWDZBQOSA-N 0 0 345.399 3.403 10 5 EGBERN CC(C)(CCC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[N+](=O)[O-] ZINC001325528549 1387997962 /nfs/dbraw/zinc/99/79/62/1387997962.db2.gz BQKSROHLKCKTNK-SNVBAGLBSA-N 0 0 347.198 3.379 10 5 EGBERN CN1C(=O)c2ccccc2[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001187305858 1388091823 /nfs/dbraw/zinc/09/18/23/1388091823.db2.gz JQGJKSRMWSMGNQ-KRWDZBQOSA-N 0 0 348.362 3.382 10 5 EGBERN CN1C(=O)c2ccccc2[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001187306385 1388091846 /nfs/dbraw/zinc/09/18/46/1388091846.db2.gz SLCRARKKUZHQAL-MRXNPFEDSA-N 0 0 348.362 3.382 10 5 EGBERN COC(=O)[C@@]1(C)CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1C ZINC001187305372 1388092112 /nfs/dbraw/zinc/09/21/12/1388092112.db2.gz CBVWOGVSLCYLMB-XPTSAGLGSA-N 0 0 346.305 3.249 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116395376 1370903029 /nfs/dbraw/zinc/90/30/29/1370903029.db2.gz CWPMWXJNDDWEMZ-QGZVFWFLSA-N 0 0 338.367 3.166 10 5 EGBERN CC(=O)c1c(C)cc(Oc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1C ZINC001187488216 1388116774 /nfs/dbraw/zinc/11/67/74/1388116774.db2.gz JRQZSCNVMHYDJR-UHFFFAOYSA-N 0 0 328.324 3.305 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC2(CC2(F)F)C1 ZINC001118732369 1371217975 /nfs/dbraw/zinc/21/79/75/1371217975.db2.gz WVKCQTUHKKUJFK-UHFFFAOYSA-N 0 0 339.342 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c(Cl)c1 ZINC001187593983 1388128866 /nfs/dbraw/zinc/12/88/66/1388128866.db2.gz RYWVMSSREKXJIX-KGLIPLIRSA-N 0 0 327.837 3.240 10 5 EGBERN COC(=O)CC1CC(Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001187606621 1388129444 /nfs/dbraw/zinc/12/94/44/1388129444.db2.gz CQBGWASJIFLTML-UHFFFAOYSA-N 0 0 343.177 3.111 10 5 EGBERN CC[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC001187669564 1388140291 /nfs/dbraw/zinc/14/02/91/1388140291.db2.gz KLVYRWSBBLTTPQ-SECBINFHSA-N 0 0 329.784 3.423 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@]2(CCSC2)C1 ZINC001326296440 1388144812 /nfs/dbraw/zinc/14/48/12/1388144812.db2.gz SXZBLWLVPJCTIQ-CQSZACIVSA-N 0 0 328.821 3.269 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001187757037 1388156168 /nfs/dbraw/zinc/15/61/68/1388156168.db2.gz DRVPKSSYSWTSIC-WBMJQRKESA-N 0 0 331.347 3.074 10 5 EGBERN C[C@@H](COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001123247560 1372406538 /nfs/dbraw/zinc/40/65/38/1372406538.db2.gz MAOKIBJNIWALFM-ZDUSSCGKSA-N 0 0 335.400 3.478 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001123454452 1372475053 /nfs/dbraw/zinc/47/50/53/1372475053.db2.gz YNWMNGNKKWBLAV-LLVKDONJSA-N 0 0 332.385 3.381 10 5 EGBERN Cc1ccc(C(=O)OC[C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC001123476245 1372482330 /nfs/dbraw/zinc/48/23/30/1372482330.db2.gz HXIRCGXLNVMXCM-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001124006711 1372656106 /nfs/dbraw/zinc/65/61/06/1372656106.db2.gz POFUKUHIDGSCON-XKQJLSEDSA-N 0 0 332.400 3.258 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Br)co1 ZINC001124331217 1372692769 /nfs/dbraw/zinc/69/27/69/1372692769.db2.gz AIWBFAASBXSQBA-UHFFFAOYSA-N 0 0 329.081 3.342 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnccc1C(F)(F)F ZINC001124338410 1372693418 /nfs/dbraw/zinc/69/34/18/1372693418.db2.gz BEWONIRUVCORCB-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001124340495 1372693490 /nfs/dbraw/zinc/69/34/90/1372693490.db2.gz CQOCKALCDAUWBU-QGZVFWFLSA-N 0 0 339.351 3.343 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001124397228 1372698248 /nfs/dbraw/zinc/69/82/48/1372698248.db2.gz YDLBSVSOHWRNND-MRXNPFEDSA-N 0 0 330.340 3.238 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001124403786 1372698761 /nfs/dbraw/zinc/69/87/61/1372698761.db2.gz ODYBRXPPAMQOHO-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN CCOC(=O)c1ccc(OC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001124404686 1372699144 /nfs/dbraw/zinc/69/91/44/1372699144.db2.gz FLTQRHJMERIEFN-UHFFFAOYSA-N 0 0 333.271 3.130 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2scnc2c1 ZINC001124817628 1372733042 /nfs/dbraw/zinc/73/30/42/1372733042.db2.gz GDAGDRBSPSKYFW-UHFFFAOYSA-N 0 0 327.365 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2C)C2CC2)n1 ZINC001124837165 1372734271 /nfs/dbraw/zinc/73/42/71/1372734271.db2.gz QQYODMGXQWVNSB-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC001125007739 1372746288 /nfs/dbraw/zinc/74/62/88/1372746288.db2.gz YOVZJBSAUPXTSG-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN COc1cc(C(=O)Nc2ccc(N(C)C)cc2C)c([N+](=O)[O-])cc1F ZINC001125059494 1372750509 /nfs/dbraw/zinc/75/05/09/1372750509.db2.gz WEZXYYZUTFBUKB-UHFFFAOYSA-N 0 0 347.346 3.369 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3cc(F)cc(F)c32)n1 ZINC001125125685 1372755298 /nfs/dbraw/zinc/75/52/98/1372755298.db2.gz LBMVFMGCRNRDDE-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN Cc1c(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001125228932 1372761426 /nfs/dbraw/zinc/76/14/26/1372761426.db2.gz SVAOEXZKLKTPLD-UHFFFAOYSA-N 0 0 334.259 3.099 10 5 EGBERN Cc1ccccc1[C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001125945604 1372896848 /nfs/dbraw/zinc/89/68/48/1372896848.db2.gz OHCJGCLUISZUPW-AWEZNQCLSA-N 0 0 328.368 3.202 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(Cl)n(C)n1 ZINC001126193791 1372947289 /nfs/dbraw/zinc/94/72/89/1372947289.db2.gz CAUKSUAJRBBPOL-UHFFFAOYSA-N 0 0 330.127 3.163 10 5 EGBERN Cc1nnc(-c2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)o1 ZINC001126207695 1372948246 /nfs/dbraw/zinc/94/82/46/1372948246.db2.gz KJSDJMLRMRLMBA-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN CCCC[C@H](COC)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001126268735 1372953627 /nfs/dbraw/zinc/95/36/27/1372953627.db2.gz MUSBWJCEXIWGCE-CYBMUJFWSA-N 0 0 345.399 3.265 10 5 EGBERN O=C(c1cccc(C(F)(F)F)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126430593 1372965006 /nfs/dbraw/zinc/96/50/06/1372965006.db2.gz PBZXFRYDSJIGSE-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN COc1cc(C(=O)N2CCc3cccc(C)c32)c([N+](=O)[O-])cc1F ZINC001126927215 1373052782 /nfs/dbraw/zinc/05/27/82/1373052782.db2.gz JAWXTMFNXYOOFK-UHFFFAOYSA-N 0 0 330.315 3.254 10 5 EGBERN O=C(OCc1nc(-c2ccsc2)no1)c1c(F)cccc1[N+](=O)[O-] ZINC001127272618 1373111292 /nfs/dbraw/zinc/11/12/92/1373111292.db2.gz BYHCIKOUZJQGBP-UHFFFAOYSA-N 0 0 349.299 3.202 10 5 EGBERN CC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(F)cc1 ZINC001127373091 1373120871 /nfs/dbraw/zinc/12/08/71/1373120871.db2.gz QAAKVGVAQIEXDR-CYBMUJFWSA-N 0 0 346.314 3.344 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(F)c2occc21 ZINC001127395927 1373123376 /nfs/dbraw/zinc/12/33/76/1373123376.db2.gz CFCHKYYTYFVNED-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN CCC1(CC)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001127451584 1373128570 /nfs/dbraw/zinc/12/85/70/1373128570.db2.gz BTYWBGPXCFHSKF-VQHPVUNQSA-N 0 0 346.427 3.408 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@]2(C)CCCc3ccccc32)n1 ZINC001127494137 1373131432 /nfs/dbraw/zinc/13/14/32/1373131432.db2.gz MSUQBPUAWAAFGY-GOSISDBHSA-N 0 0 325.368 3.280 10 5 EGBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001127522800 1373134941 /nfs/dbraw/zinc/13/49/41/1373134941.db2.gz PWDZPQYHGHLXGZ-OWYVNGRQSA-N 0 0 338.429 3.106 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)[C@@H]1OC ZINC001127567859 1373140557 /nfs/dbraw/zinc/14/05/57/1373140557.db2.gz QVRWVJWTAQGOEH-MAZHCROVSA-N 0 0 334.416 3.473 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)c1nc2ccccc2n1C ZINC001127814918 1373185893 /nfs/dbraw/zinc/18/58/93/1373185893.db2.gz GKSQXBPJHVFYKC-UHFFFAOYSA-N 0 0 338.367 3.375 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC001128223426 1373237350 /nfs/dbraw/zinc/23/73/50/1373237350.db2.gz WCUMBZXSPYDYTO-UHFFFAOYSA-N 0 0 340.339 3.160 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001128321928 1373251249 /nfs/dbraw/zinc/25/12/49/1373251249.db2.gz RLNKCABMSHIWBS-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ncnc2sccc21 ZINC001128513796 1373280555 /nfs/dbraw/zinc/28/05/55/1373280555.db2.gz CRVLVEHDSKMFFN-UHFFFAOYSA-N 0 0 344.352 3.251 10 5 EGBERN COC(=O)Nc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC001128583127 1373293611 /nfs/dbraw/zinc/29/36/11/1373293611.db2.gz VWSTYEAXEQVSGA-UHFFFAOYSA-N 0 0 347.302 3.473 10 5 EGBERN CC(C)Cc1ncc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001128649047 1373300497 /nfs/dbraw/zinc/30/04/97/1373300497.db2.gz BPNOPWCSBYQMTA-CVEARBPZSA-N 0 0 340.383 3.326 10 5 EGBERN O=C(NCc1ccc2ncccc2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001128739470 1373306813 /nfs/dbraw/zinc/30/68/13/1373306813.db2.gz GGMXLHKMHQUTLK-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN O=C(Nc1ccc2c(n1)CCCC2=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001128921334 1373324137 /nfs/dbraw/zinc/32/41/37/1373324137.db2.gz JAVCAKHJGHRHDV-UHFFFAOYSA-N 0 0 345.742 3.415 10 5 EGBERN COc1cnc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)s1 ZINC001128945569 1373326234 /nfs/dbraw/zinc/32/62/34/1373326234.db2.gz DWWIJHKAWCWIJM-UHFFFAOYSA-N 0 0 344.352 3.048 10 5 EGBERN COc1ccc2sc(C(=O)Nc3c([N+](=O)[O-])ncn3C)c(C)c2c1 ZINC001128984115 1373330957 /nfs/dbraw/zinc/33/09/57/1373330957.db2.gz BDOLPUQRGICBAS-UHFFFAOYSA-N 0 0 346.368 3.112 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC001129024202 1373337663 /nfs/dbraw/zinc/33/76/63/1373337663.db2.gz XSKPUEGXBRGICA-UHFFFAOYSA-N 0 0 339.351 3.378 10 5 EGBERN COc1c(F)cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1F ZINC001129031142 1373337867 /nfs/dbraw/zinc/33/78/67/1373337867.db2.gz GOXOEZYHEJAYMB-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN Cc1csc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001129061493 1373341266 /nfs/dbraw/zinc/34/12/66/1373341266.db2.gz YNKGHMSCYUOHNX-UHFFFAOYSA-N 0 0 329.381 3.236 10 5 EGBERN O=C(c1cccc2cnccc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129214702 1373362218 /nfs/dbraw/zinc/36/22/18/1373362218.db2.gz PYWYFOPDPBNJRN-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCCC2=O ZINC001129359804 1373374726 /nfs/dbraw/zinc/37/47/26/1373374726.db2.gz SXACODGPCCXYEN-UHFFFAOYSA-N 0 0 340.335 3.131 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC001130212335 1373474431 /nfs/dbraw/zinc/47/44/31/1373474431.db2.gz IBACWUGDONDGCM-UHFFFAOYSA-N 0 0 347.321 3.217 10 5 EGBERN COC(=O)c1cc(C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001130768171 1373589366 /nfs/dbraw/zinc/58/93/66/1373589366.db2.gz BZGSXXADGFGGMA-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001130844235 1373598154 /nfs/dbraw/zinc/59/81/54/1373598154.db2.gz VCTISVWJVVFNCG-AWEZNQCLSA-N 0 0 346.358 3.494 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130954734 1373614709 /nfs/dbraw/zinc/61/47/09/1373614709.db2.gz KBNKCRROZQTWIS-ZIAGYGMSSA-N 0 0 329.356 3.285 10 5 EGBERN Cc1cnc(F)c(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130956542 1373615731 /nfs/dbraw/zinc/61/57/31/1373615731.db2.gz BHIOKSMHLGYVOJ-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cc1cccn2c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cnc12 ZINC001130984263 1373620277 /nfs/dbraw/zinc/62/02/77/1373620277.db2.gz DJNHVELFHGBXRC-UHFFFAOYSA-N 0 0 342.380 3.282 10 5 EGBERN Cc1c(CC(=O)Oc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC001131219437 1373664112 /nfs/dbraw/zinc/66/41/12/1373664112.db2.gz SPNSLYJCUCJCQX-UHFFFAOYSA-N 0 0 337.335 3.237 10 5 EGBERN Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c1 ZINC001131250815 1373669384 /nfs/dbraw/zinc/66/93/84/1373669384.db2.gz JFVNHHQQFNRUGF-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN Cc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC001131546782 1373718096 /nfs/dbraw/zinc/71/80/96/1373718096.db2.gz LZDWTUSXJQTMAB-UHFFFAOYSA-N 0 0 345.374 3.347 10 5 EGBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001131637149 1373739370 /nfs/dbraw/zinc/73/93/70/1373739370.db2.gz BRSPOOHBMIZOPI-UHFFFAOYSA-N 0 0 342.248 3.395 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc2nsnc21 ZINC001131785368 1373805084 /nfs/dbraw/zinc/80/50/84/1373805084.db2.gz RCKDKWVRZKQTJR-TWGQIWQCSA-N 0 0 326.337 3.251 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC001131973770 1375077924 /nfs/dbraw/zinc/07/79/24/1375077924.db2.gz QJCTUHNKLQEMKM-LLVKDONJSA-N 0 0 339.351 3.317 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2nsnc21 ZINC001132018454 1375101315 /nfs/dbraw/zinc/10/13/15/1375101315.db2.gz MQVXVSMZGDCPJI-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1csc(C(F)(F)F)c1 ZINC001132062924 1375127127 /nfs/dbraw/zinc/12/71/27/1375127127.db2.gz IMXFTXPOVNIUSB-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN COc1ccc(F)cc1-c1cncc(Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001188677309 1388359565 /nfs/dbraw/zinc/35/95/65/1388359565.db2.gz MKXCFIYZHASWDK-UHFFFAOYSA-N 0 0 342.330 3.358 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CCCC34CCOCC4)n2)c1 ZINC001188726213 1388368939 /nfs/dbraw/zinc/36/89/39/1388368939.db2.gz POOSPEDCUDUVLT-HNNXBMFYSA-N 0 0 342.399 3.450 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001132614633 1375485884 /nfs/dbraw/zinc/48/58/84/1375485884.db2.gz DRWVQYPLVLBPCN-NWDGAFQWSA-N 0 0 344.298 3.205 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001132636952 1375493207 /nfs/dbraw/zinc/49/32/07/1375493207.db2.gz DYDCIEPJMPXMCN-GFCCVEGCSA-N 0 0 332.331 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H](C)C(=O)OC(C)(C)C ZINC001132654197 1375499956 /nfs/dbraw/zinc/49/99/56/1375499956.db2.gz HATLASKDBBVDDT-LBPRGKRZSA-N 0 0 337.372 3.233 10 5 EGBERN Cc1cccc(C(=O)NCc2noc3ccc(F)cc23)c1[N+](=O)[O-] ZINC001132662005 1375502394 /nfs/dbraw/zinc/50/23/94/1375502394.db2.gz LRXCAACZGGPJNW-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C1(C)CCC(F)(F)CC1 ZINC001132750563 1375545529 /nfs/dbraw/zinc/54/55/29/1375545529.db2.gz SFCYQVXBYDUTCD-UHFFFAOYSA-N 0 0 329.303 3.153 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC001132750642 1375546340 /nfs/dbraw/zinc/54/63/40/1375546340.db2.gz YTAOVYOSZGIINQ-HWKANZROSA-N 0 0 339.760 3.365 10 5 EGBERN O=C(N[C@H](CF)c1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001132770561 1375555503 /nfs/dbraw/zinc/55/55/03/1375555503.db2.gz WPARWRNOTQAYCX-CYBMUJFWSA-N 0 0 342.248 3.453 10 5 EGBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001132932192 1375652392 /nfs/dbraw/zinc/65/23/92/1375652392.db2.gz CWPQINONAPWLRC-VIFPVBQESA-N 0 0 329.287 3.366 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001132960504 1375675035 /nfs/dbraw/zinc/67/50/35/1375675035.db2.gz VZRBLGUXTYFZFF-UHFFFAOYSA-N 0 0 347.758 3.322 10 5 EGBERN CCC(CC)n1nc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1C ZINC001132962554 1375676395 /nfs/dbraw/zinc/67/63/95/1375676395.db2.gz ARHCEMSJAGKBDY-UHFFFAOYSA-N 0 0 347.375 3.117 10 5 EGBERN C=C/C=C\CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001133263964 1375880024 /nfs/dbraw/zinc/88/00/24/1375880024.db2.gz IZTUPSBAYXTFLJ-ARJAWSKDSA-N 0 0 329.400 3.447 10 5 EGBERN Cc1cc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001133517670 1376051156 /nfs/dbraw/zinc/05/11/56/1376051156.db2.gz YHJYORFIYAWITR-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001230822617 1376159601 /nfs/dbraw/zinc/15/96/01/1376159601.db2.gz VLJSTPMEIAVICM-SRMUXQRQSA-N 0 0 349.431 3.405 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]12C[C@H]1CCC2 ZINC001133971859 1376290942 /nfs/dbraw/zinc/29/09/42/1376290942.db2.gz NYNJFRRXLDRIRC-USBNGQNGSA-N 0 0 338.791 3.322 10 5 EGBERN CCc1onc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001134075099 1376349866 /nfs/dbraw/zinc/34/98/66/1376349866.db2.gz XIIDPKXVXQEAET-UHFFFAOYSA-N 0 0 347.371 3.171 10 5 EGBERN Cc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)oc21 ZINC001134133373 1376384750 /nfs/dbraw/zinc/38/47/50/1376384750.db2.gz NBFCESKJDZHKNH-UHFFFAOYSA-N 0 0 339.307 3.001 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001134684674 1376657608 /nfs/dbraw/zinc/65/76/08/1376657608.db2.gz FJISIQNWNWMNCU-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN Cc1nc2ccccn2c1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001134895556 1376773466 /nfs/dbraw/zinc/77/34/66/1376773466.db2.gz WSASOFHFGAYNTO-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001134962938 1376812726 /nfs/dbraw/zinc/81/27/26/1376812726.db2.gz OJLRVNOUNNNYJY-UHFFFAOYSA-N 0 0 345.311 3.219 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001135106834 1376903697 /nfs/dbraw/zinc/90/36/97/1376903697.db2.gz HSDNHUJPNPLPHZ-RNCFNFMXSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(OCc2ccc3oc(=O)n(C)c3c2)c(F)cc1[N+](=O)[O-] ZINC001189173743 1388472929 /nfs/dbraw/zinc/47/29/29/1388472929.db2.gz LMAIQUPCFDIJAE-UHFFFAOYSA-N 0 0 332.287 3.066 10 5 EGBERN CC(C)c1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)no1 ZINC001135362867 1377053873 /nfs/dbraw/zinc/05/38/73/1377053873.db2.gz NOCKBFVYLBUUSX-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001135505129 1377121622 /nfs/dbraw/zinc/12/16/22/1377121622.db2.gz XOANVVXSSGGWBW-UHFFFAOYSA-N 0 0 338.323 3.047 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ccc3nsnc3c2)c([N+](=O)[O-])c1 ZINC001264250072 1377141894 /nfs/dbraw/zinc/14/18/94/1377141894.db2.gz GOVYGDJZVHUFKQ-UHFFFAOYSA-N 0 0 329.337 3.436 10 5 EGBERN CN(Cc1cccnc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001135641856 1377171914 /nfs/dbraw/zinc/17/19/14/1377171914.db2.gz SHLWYMYJERZPIU-UHFFFAOYSA-N 0 0 348.362 3.324 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(F)cc1F ZINC001136179133 1377361585 /nfs/dbraw/zinc/36/15/85/1377361585.db2.gz WZOXPPPBSVMKIW-UHFFFAOYSA-N 0 0 348.305 3.152 10 5 EGBERN CCN(Cc1ccc(Cl)cc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136185375 1377361991 /nfs/dbraw/zinc/36/19/91/1377361991.db2.gz XKXLSAUMWHXGLY-UHFFFAOYSA-N 0 0 343.170 3.287 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001136366059 1377383567 /nfs/dbraw/zinc/38/35/67/1377383567.db2.gz UREKZKXNPQNKEP-NSHDSACASA-N 0 0 334.322 3.163 10 5 EGBERN COc1cc(C(=O)Nc2ccc(C)c3c[nH]nc32)c([N+](=O)[O-])cc1F ZINC001136447921 1377394576 /nfs/dbraw/zinc/39/45/76/1377394576.db2.gz NBZCWUKKYTYLMU-UHFFFAOYSA-N 0 0 344.302 3.180 10 5 EGBERN Cc1ncsc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136713880 1377416807 /nfs/dbraw/zinc/41/68/07/1377416807.db2.gz UVXCZBPHIDXHMG-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1ccccc1Cl ZINC001137035188 1377462308 /nfs/dbraw/zinc/46/23/08/1377462308.db2.gz MVOUWACTWODDHZ-JTQLQIEISA-N 0 0 349.774 3.028 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1 ZINC001137990027 1377660812 /nfs/dbraw/zinc/66/08/12/1377660812.db2.gz XPGKDOFJCWSHKS-OAHLLOKOSA-N 0 0 348.786 3.031 10 5 EGBERN COc1ccc(C(=O)Nc2cccc3c(=O)[nH]ccc23)cc1[N+](=O)[O-] ZINC001140695663 1378116424 /nfs/dbraw/zinc/11/64/24/1378116424.db2.gz HAUWUQBUFKPFDV-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN CCc1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OC ZINC001140920738 1378180791 /nfs/dbraw/zinc/18/07/91/1378180791.db2.gz FVYFGKFIBJIQMM-UHFFFAOYSA-N 0 0 329.356 3.460 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001141416010 1378321678 /nfs/dbraw/zinc/32/16/78/1378321678.db2.gz ULKRGASGMUFEKJ-KRWDZBQOSA-N 0 0 325.368 3.463 10 5 EGBERN C[C@H](c1ccccc1Cl)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141525704 1378339456 /nfs/dbraw/zinc/33/94/56/1378339456.db2.gz NXQDZSINVZMGAI-SECBINFHSA-N 0 0 334.763 3.059 10 5 EGBERN CC(C)(C(=O)NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141576281 1378345957 /nfs/dbraw/zinc/34/59/57/1378345957.db2.gz YNDNLJUGVJLVGA-GQCTYLIASA-N 0 0 343.358 3.236 10 5 EGBERN Cc1cc(N(C)C)ccc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001141654457 1378358903 /nfs/dbraw/zinc/35/89/03/1378358903.db2.gz XPELCYWQOIQNNH-UHFFFAOYSA-N 0 0 348.790 3.457 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC001146530801 1378861407 /nfs/dbraw/zinc/86/14/07/1378861407.db2.gz VIDCAEMPNFATOP-HNNXBMFYSA-N 0 0 332.306 3.389 10 5 EGBERN CC(C)(C)[C@@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001146678691 1378895464 /nfs/dbraw/zinc/89/54/64/1378895464.db2.gz SZRPQBUNQBJLLH-SECBINFHSA-N 0 0 328.800 3.260 10 5 EGBERN COC1CC(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001327714427 1388588980 /nfs/dbraw/zinc/58/89/80/1388588980.db2.gz MTHCZQVHRFJETL-UHFFFAOYSA-N 0 0 336.779 3.418 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC001148264545 1379141263 /nfs/dbraw/zinc/14/12/63/1379141263.db2.gz NZKVRZSUASORNF-LLVKDONJSA-N 0 0 332.331 3.168 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001148407489 1379167130 /nfs/dbraw/zinc/16/71/30/1379167130.db2.gz NVISNRQKXJLBNU-ZJUUUORDSA-N 0 0 328.340 3.044 10 5 EGBERN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001148719298 1379251598 /nfs/dbraw/zinc/25/15/98/1379251598.db2.gz FERGLUJSOYZDOH-ZBEGNZNMSA-N 0 0 348.786 3.143 10 5 EGBERN CCc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001148793210 1379269626 /nfs/dbraw/zinc/26/96/26/1379269626.db2.gz MNVNDIREQOIVQL-UHFFFAOYSA-N 0 0 341.411 3.447 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCc2c[nH]nc21 ZINC001149768138 1379441824 /nfs/dbraw/zinc/44/18/24/1379441824.db2.gz YXHQGMSAAKXQNS-AWEZNQCLSA-N 0 0 348.790 3.098 10 5 EGBERN COc1cc(C)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001149850908 1379455036 /nfs/dbraw/zinc/45/50/36/1379455036.db2.gz BUSNHIGFROGASO-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC[C@H](NC(=O)c1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC001152973672 1380001078 /nfs/dbraw/zinc/00/10/78/1380001078.db2.gz CUNGXJUDQCUNJF-ZDUSSCGKSA-N 0 0 326.312 3.012 10 5 EGBERN CC(=O)Nc1c(C)cccc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001154712628 1380337662 /nfs/dbraw/zinc/33/76/62/1380337662.db2.gz FNRAGCDVRICYPP-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN Cc1cc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)o1 ZINC001154845229 1380364214 /nfs/dbraw/zinc/36/42/14/1380364214.db2.gz QTCZIEVNEXPIBE-UHFFFAOYSA-N 0 0 342.355 3.044 10 5 EGBERN C[C@@H]1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155458693 1380456070 /nfs/dbraw/zinc/45/60/70/1380456070.db2.gz RBGCTFYJRRPWPM-YPMHNXCESA-N 0 0 328.372 3.151 10 5 EGBERN Cc1nc(Cl)ccc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001156383323 1380568932 /nfs/dbraw/zinc/56/89/32/1380568932.db2.gz FEJDAZOSLLQFCQ-UHFFFAOYSA-N 0 0 341.154 3.440 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc2ccccc21 ZINC001288177946 1381637271 /nfs/dbraw/zinc/63/72/71/1381637271.db2.gz UVJICBZETOOPOP-UHFFFAOYSA-N 0 0 340.291 3.380 10 5 EGBERN Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)cc1[N+](=O)[O-] ZINC001159145541 1381659007 /nfs/dbraw/zinc/65/90/07/1381659007.db2.gz FGOYWZOWFASIBS-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN Cc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(Cl)n1 ZINC001288356840 1381794298 /nfs/dbraw/zinc/79/42/98/1381794298.db2.gz FKETTZPUZKSXQH-UHFFFAOYSA-N 0 0 337.738 3.329 10 5 EGBERN Cc1c(CC(=O)Nc2cc(F)ccc2N(C)C)cccc1[N+](=O)[O-] ZINC001288558514 1381884490 /nfs/dbraw/zinc/88/44/90/1381884490.db2.gz GAKHXDKGWNNDBP-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001288716699 1381920316 /nfs/dbraw/zinc/92/03/16/1381920316.db2.gz JZFLWDCUPYLYPE-OAHLLOKOSA-N 0 0 336.388 3.083 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1F ZINC001288788064 1381939695 /nfs/dbraw/zinc/93/96/95/1381939695.db2.gz ODDZSSPUYMGJNP-BBRMVZONSA-N 0 0 348.305 3.244 10 5 EGBERN COc1cc(Cl)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001289242867 1381988407 /nfs/dbraw/zinc/98/84/07/1381988407.db2.gz TZSJDYZQNOPVOE-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CC1(C)CC[C@@H](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)OC1 ZINC001289357345 1381993822 /nfs/dbraw/zinc/99/38/22/1381993822.db2.gz VKLZQLDLMIYGPO-SBSDFTTDSA-N 0 0 332.400 3.320 10 5 EGBERN C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001289388692 1381997029 /nfs/dbraw/zinc/99/70/29/1381997029.db2.gz IWXDMYUZKWEEAH-LBPRGKRZSA-N 0 0 343.335 3.213 10 5 EGBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)no1 ZINC001289436255 1381999728 /nfs/dbraw/zinc/99/97/28/1381999728.db2.gz LFJUHJMTBKSQJG-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN CC(C)c1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)no1 ZINC001289935648 1382027759 /nfs/dbraw/zinc/02/77/59/1382027759.db2.gz MHAWEYBRDKSJJE-UHFFFAOYSA-N 0 0 347.327 3.120 10 5 EGBERN Nc1ccc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001160702882 1382174497 /nfs/dbraw/zinc/17/44/97/1382174497.db2.gz OXHFBKRJINOUJY-KGLIPLIRSA-N 0 0 325.368 3.384 10 5 EGBERN C[C@]1(C2CC2)CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CCO1 ZINC001328571786 1388777528 /nfs/dbraw/zinc/77/75/28/1388777528.db2.gz ISFHDFIBUPKCTQ-MRXNPFEDSA-N 0 0 348.790 3.197 10 5 EGBERN Nc1c(F)c(Cl)ccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001293832101 1382372040 /nfs/dbraw/zinc/37/20/40/1382372040.db2.gz VFUKZGRNRNDMAF-UHFFFAOYSA-N 0 0 335.722 3.172 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001294095537 1382417125 /nfs/dbraw/zinc/41/71/25/1382417125.db2.gz VUMVIWYECCPMAW-UGSOOPFHSA-N 0 0 334.416 3.412 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C3CC3)[nH]c2=O)cc1[N+](=O)[O-] ZINC001294094892 1382417131 /nfs/dbraw/zinc/41/71/31/1382417131.db2.gz QIGCITJSAYLVGB-LLVKDONJSA-N 0 0 341.367 3.372 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001161516537 1382428988 /nfs/dbraw/zinc/42/89/88/1382428988.db2.gz FHWJQIFNIDEIJC-XMMPIXPASA-N 0 0 347.396 3.499 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCOc2ccccc2F)c1 ZINC001162032414 1382609128 /nfs/dbraw/zinc/60/91/28/1382609128.db2.gz OMRLOKOSCYVXEW-UHFFFAOYSA-N 0 0 348.330 3.402 10 5 EGBERN COc1ncc(Br)c(Oc2cc([N+](=O)[O-])ccc2C)n1 ZINC001162170717 1382647266 /nfs/dbraw/zinc/64/72/66/1382647266.db2.gz LZFLTEUNHQIXCT-UHFFFAOYSA-N 0 0 340.133 3.257 10 5 EGBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328676272 1388804918 /nfs/dbraw/zinc/80/49/18/1388804918.db2.gz BTOQUZRQGOENLS-FUHWJXTLSA-N 0 0 326.327 3.322 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC3CCSCC3)c2c1 ZINC001162476562 1382768798 /nfs/dbraw/zinc/76/87/98/1382768798.db2.gz TUPCZWXXYTXYRI-UHFFFAOYSA-N 0 0 333.413 3.129 10 5 EGBERN O=c1[nH]ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001162494765 1382772825 /nfs/dbraw/zinc/77/28/25/1382772825.db2.gz VGHOMVOAGQGRGB-NSHDSACASA-N 0 0 344.154 3.148 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H](O)C2)cc1C ZINC001162591263 1382801873 /nfs/dbraw/zinc/80/18/73/1382801873.db2.gz INPSJUSWHMGLSY-OLZOCXBDSA-N 0 0 336.388 3.043 10 5 EGBERN CC(C)OC(=O)CC[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163205208 1382992475 /nfs/dbraw/zinc/99/24/75/1382992475.db2.gz LCNIIKKZIMFAES-GFCCVEGCSA-N 0 0 335.404 3.401 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nccc2ccccc21 ZINC001163350442 1383028784 /nfs/dbraw/zinc/02/87/84/1383028784.db2.gz JINSCGXVHIRKKB-UHFFFAOYSA-N 0 0 343.289 3.351 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001163590712 1383083933 /nfs/dbraw/zinc/08/39/33/1383083933.db2.gz JXHGLDDHCWFNHZ-LLVKDONJSA-N 0 0 347.352 3.468 10 5 EGBERN C[C@H](O)[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001163657128 1383096419 /nfs/dbraw/zinc/09/64/19/1383096419.db2.gz SNOCTOQCRYMODB-MGPLVRAMSA-N 0 0 342.330 3.211 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC3(OC(C)C)CCC3)c2c1 ZINC001164068818 1383152820 /nfs/dbraw/zinc/15/28/20/1383152820.db2.gz YGOIXUHJVIITFQ-UHFFFAOYSA-N 0 0 345.399 3.333 10 5 EGBERN Cc1csc(C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001164205557 1383165979 /nfs/dbraw/zinc/16/59/79/1383165979.db2.gz AXVMMDAJBXJYIO-LLVKDONJSA-N 0 0 348.384 3.337 10 5 EGBERN O=[N+]([O-])c1c(NCC[C@@H]2OCCc3ccccc32)nc2sccn21 ZINC001164221459 1383167592 /nfs/dbraw/zinc/16/75/92/1383167592.db2.gz YVKYYBNZMUXOSD-ZDUSSCGKSA-N 0 0 344.396 3.420 10 5 EGBERN CCOC(=O)[C@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001164265762 1383173066 /nfs/dbraw/zinc/17/30/66/1383173066.db2.gz YQTDJWSXPAPDPR-QMMMGPOBSA-N 0 0 333.171 3.291 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCC(C)(C)O1 ZINC001164302484 1383175748 /nfs/dbraw/zinc/17/57/48/1383175748.db2.gz AVXPQXGOMPCBSW-GFCCVEGCSA-N 0 0 336.388 3.449 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(Cc3ccoc3)C2)cc1C ZINC001164302573 1383175818 /nfs/dbraw/zinc/17/58/18/1383175818.db2.gz BPWQHIUSOMUTFR-UHFFFAOYSA-N 0 0 344.367 3.352 10 5 EGBERN O=[N+]([O-])c1cnc(NCC(F)(F)C2(O)CCCCC2)c(Cl)c1 ZINC001164342170 1383179034 /nfs/dbraw/zinc/17/90/34/1383179034.db2.gz NKDLGQIXLZISJZ-UHFFFAOYSA-N 0 0 335.738 3.386 10 5 EGBERN CN1C(=O)Cc2cc(CNc3nc4ccccc4cc3[N+](=O)[O-])ccc21 ZINC001164357982 1383180658 /nfs/dbraw/zinc/18/06/58/1383180658.db2.gz HQCLQXZYAMZDBP-UHFFFAOYSA-N 0 0 348.362 3.274 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@@H](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164379395 1383182793 /nfs/dbraw/zinc/18/27/93/1383182793.db2.gz HXVLLIUTLIRKKI-CQSZACIVSA-N 0 0 337.420 3.418 10 5 EGBERN Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]2C ZINC001164401376 1383184453 /nfs/dbraw/zinc/18/44/53/1383184453.db2.gz XWCLSYNYIRWWFJ-MRVPVSSYSA-N 0 0 341.293 3.095 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1cc([N+](=O)[O-])ccc1C ZINC001165537166 1383307995 /nfs/dbraw/zinc/30/79/95/1383307995.db2.gz JUIRWKXPSPKECV-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001165626622 1383317200 /nfs/dbraw/zinc/31/72/00/1383317200.db2.gz LFCSWALPGCHDCV-UHFFFAOYSA-N 0 0 332.665 3.477 10 5 EGBERN CCOC(=O)[C@@H](CC)SCCCOc1ccc([N+](=O)[O-])cc1 ZINC001165768889 1383343309 /nfs/dbraw/zinc/34/33/09/1383343309.db2.gz NDALMUXBGLUEDN-CQSZACIVSA-N 0 0 327.402 3.439 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1ccc([N+](=O)[O-])cc1C ZINC001165856111 1383352631 /nfs/dbraw/zinc/35/26/31/1383352631.db2.gz IBOTUYAKQNJGOS-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN O=C(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1ccc(Cl)s1 ZINC001166111154 1383390841 /nfs/dbraw/zinc/39/08/41/1383390841.db2.gz KMVFQENHRCSUFE-UHFFFAOYSA-N 0 0 338.728 3.101 10 5 EGBERN O=c1oc2cccc([N+](=O)[O-])c2n1CCCc1c(F)cccc1F ZINC001166111144 1383390869 /nfs/dbraw/zinc/39/08/69/1383390869.db2.gz KATDBWPAHINIML-UHFFFAOYSA-N 0 0 334.278 3.414 10 5 EGBERN CC(C)c1noc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)n1 ZINC001166879879 1383492459 /nfs/dbraw/zinc/49/24/59/1383492459.db2.gz MJCQIGXODHRFFO-UHFFFAOYSA-N 0 0 348.750 3.061 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC001299859272 1383632691 /nfs/dbraw/zinc/63/26/91/1383632691.db2.gz WPTWEDDQGDAPQL-UHFFFAOYSA-N 0 0 337.339 3.075 10 5 EGBERN COc1ccccc1[C@H](C)N(OC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001300517563 1383668914 /nfs/dbraw/zinc/66/89/14/1383668914.db2.gz IMKCXWANQNOXAF-LBPRGKRZSA-N 0 0 330.340 3.368 10 5 EGBERN CC(C)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001300947762 1383686539 /nfs/dbraw/zinc/68/65/39/1383686539.db2.gz OARYJMAZKKQFJW-UHFFFAOYSA-N 0 0 332.335 3.389 10 5 EGBERN Cc1cc(Cl)cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1N ZINC001302607959 1383761274 /nfs/dbraw/zinc/76/12/74/1383761274.db2.gz BNENFIKXAXOACD-UHFFFAOYSA-N 0 0 333.775 3.377 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCOc2ccccc21 ZINC001304003483 1383820363 /nfs/dbraw/zinc/82/03/63/1383820363.db2.gz KTYITOZHQAHVTE-SFHVURJKSA-N 0 0 344.342 3.470 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001304015088 1383821588 /nfs/dbraw/zinc/82/15/88/1383821588.db2.gz BIYKNKZMWUBRMS-MRVPVSSYSA-N 0 0 335.747 3.002 10 5 EGBERN CCC[C@@](C)(NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001305290822 1383859955 /nfs/dbraw/zinc/85/99/55/1383859955.db2.gz AXEHFYFPLDPPDB-PKOBYXMFSA-N 0 0 342.395 3.460 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1C[C@@H]1C ZINC001306086245 1383872943 /nfs/dbraw/zinc/87/29/43/1383872943.db2.gz DQQWGVOJEDDSNP-DZGCQCFKSA-N 0 0 343.431 3.084 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Sc2nnc(-c3ccccc3Cl)o2)n1 ZINC001306917416 1383920596 /nfs/dbraw/zinc/92/05/96/1383920596.db2.gz QYRHWZRUMISBSQ-UHFFFAOYSA-N 0 0 337.748 3.183 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC001306951940 1383925157 /nfs/dbraw/zinc/92/51/57/1383925157.db2.gz WXNIZYJYRIAGNC-GFCCVEGCSA-N 0 0 329.356 3.128 10 5 EGBERN CCC(CC)[C@H](O)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306970126 1383928101 /nfs/dbraw/zinc/92/81/01/1383928101.db2.gz XCVIPENJMIZJAI-OAHLLOKOSA-N 0 0 337.807 3.427 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@@H]1O ZINC001307083186 1383938485 /nfs/dbraw/zinc/93/84/85/1383938485.db2.gz HOEQTLTXZRNBKZ-UGSOOPFHSA-N 0 0 340.379 3.033 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC001307149529 1383946141 /nfs/dbraw/zinc/94/61/41/1383946141.db2.gz LZLMVUCJDDHKLZ-JSGCOSHPSA-N 0 0 347.415 3.429 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Oc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001307150090 1383946519 /nfs/dbraw/zinc/94/65/19/1383946519.db2.gz UKZWUMLFCWRBQU-UHFFFAOYSA-N 0 0 325.664 3.352 10 5 EGBERN NC(=O)CC1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCCC1 ZINC001307174023 1383950455 /nfs/dbraw/zinc/95/04/55/1383950455.db2.gz UYYXCJXDNYYFJA-UHFFFAOYSA-N 0 0 346.431 3.106 10 5 EGBERN CC(C)(C)c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1F ZINC001307199100 1383955235 /nfs/dbraw/zinc/95/52/35/1383955235.db2.gz AKLNPNDEGOXNIP-UHFFFAOYSA-N 0 0 332.335 3.269 10 5 EGBERN Cc1cc(N[C@@H]2CCS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307224242 1383960488 /nfs/dbraw/zinc/96/04/88/1383960488.db2.gz BTYJANUFIIUXLA-TZMCWYRMSA-N 0 0 344.440 3.478 10 5 EGBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001307234806 1383962616 /nfs/dbraw/zinc/96/26/16/1383962616.db2.gz OGFIJTFVJWFYTD-GXSJLCMTSA-N 0 0 342.779 3.401 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001307265624 1383965320 /nfs/dbraw/zinc/96/53/20/1383965320.db2.gz YCNIAJYDEMHDJE-UHFFFAOYSA-N 0 0 327.308 3.155 10 5 EGBERN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC001307319459 1383970756 /nfs/dbraw/zinc/97/07/56/1383970756.db2.gz FQXQEJRMIXBFKE-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCOc1ccccc1Cl)CCCC2 ZINC001307361812 1383976975 /nfs/dbraw/zinc/97/69/75/1383976975.db2.gz ZYPIAQPFYFPUEE-UHFFFAOYSA-N 0 0 348.786 3.368 10 5 EGBERN CC1CCC(NC(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC001307392470 1383982319 /nfs/dbraw/zinc/98/23/19/1383982319.db2.gz GZCTVGVMGRCJBO-UHFFFAOYSA-N 0 0 344.770 3.461 10 5 EGBERN C[C@@H](NCc1cccnc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC001307663385 1384009581 /nfs/dbraw/zinc/00/95/81/1384009581.db2.gz ILSFJSFGYYEQNM-SNVBAGLBSA-N 0 0 343.318 3.030 10 5 EGBERN CC(C)(C)[C@H]1CSCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308035531 1384078423 /nfs/dbraw/zinc/07/84/23/1384078423.db2.gz RDTXNKMICAZZQO-CQSZACIVSA-N 0 0 339.417 3.467 10 5 EGBERN COc1cc(CN(C)Cc2cc(Cl)ccc2[N+](=O)[O-])sn1 ZINC001308109679 1384094379 /nfs/dbraw/zinc/09/43/79/1384094379.db2.gz RUSULTZBBWZDMP-UHFFFAOYSA-N 0 0 327.793 3.345 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@@H]1[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001312312908 1384338970 /nfs/dbraw/zinc/33/89/70/1384338970.db2.gz GFNOXHUIWAODGP-IAOVAPTHSA-N 0 0 349.431 3.238 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@@H](OC)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313123 1384338995 /nfs/dbraw/zinc/33/89/95/1384338995.db2.gz MBOUGNIWNNAMBL-VBNZEHGJSA-N 0 0 335.404 3.255 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001312362749 1384343240 /nfs/dbraw/zinc/34/32/40/1384343240.db2.gz PVLDHCJEZVFMKK-CZUORRHYSA-N 0 0 347.415 3.229 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]1[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001312433741 1384347805 /nfs/dbraw/zinc/34/78/05/1384347805.db2.gz WCOYLEHVYBCMHV-XIRDDKMYSA-N 0 0 347.415 3.256 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001312607870 1384359640 /nfs/dbraw/zinc/35/96/40/1384359640.db2.gz IGCVIPKCGAXELJ-RBSFLKMASA-N 0 0 348.447 3.378 10 5 EGBERN Cc1noc([C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C(C)C)n1 ZINC001313238468 1384404795 /nfs/dbraw/zinc/40/47/95/1384404795.db2.gz ZXJFKYAVMRQZQG-IINYFYTJSA-N 0 0 347.375 3.044 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1C1CCCC1 ZINC001313422858 1384417727 /nfs/dbraw/zinc/41/77/27/1384417727.db2.gz QMOCJYRUNKMZFM-HUUCEWRRSA-N 0 0 346.431 3.132 10 5 EGBERN O=C(CC1=CCCCC1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001313442681 1384421341 /nfs/dbraw/zinc/42/13/41/1384421341.db2.gz GBYMJHUEVKKZCE-UHFFFAOYSA-N 0 0 349.456 3.191 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001335769564 1388928622 /nfs/dbraw/zinc/92/86/22/1388928622.db2.gz AZIJDXUNHAVPAJ-ZWKOTPCHSA-N 0 0 340.379 3.241 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670851 1384597013 /nfs/dbraw/zinc/59/70/13/1384597013.db2.gz MNSHPBBQIBWUTN-HNNXBMFYSA-N 0 0 338.404 3.026 10 5 EGBERN CCON(CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001171925903 1384684900 /nfs/dbraw/zinc/68/49/00/1384684900.db2.gz SDNBACFHNIPNDT-UHFFFAOYSA-N 0 0 346.333 3.373 10 5 EGBERN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001171938433 1384688840 /nfs/dbraw/zinc/68/88/40/1384688840.db2.gz DXGLJYBGWKSTED-KRWDZBQOSA-N 0 0 349.337 3.439 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001177105544 1385814953 /nfs/dbraw/zinc/81/49/53/1385814953.db2.gz OPJJONWTXFQADM-CYBMUJFWSA-N 0 0 334.269 3.457 10 5 EGBERN COc1cc(C(=O)Nc2cnc3[nH]ccc3c2C)cc([N+](=O)[O-])c1C ZINC001178673223 1386274752 /nfs/dbraw/zinc/27/47/52/1386274752.db2.gz KNNLVEQSPKMCBS-UHFFFAOYSA-N 0 0 340.339 3.300 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc2n[nH]cc2c1 ZINC001179058599 1386389249 /nfs/dbraw/zinc/38/92/49/1386389249.db2.gz QPVURRWLOJAARY-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H](C(F)F)C2)c(Br)c1 ZINC001320413317 1386602778 /nfs/dbraw/zinc/60/27/78/1386602778.db2.gz XMAYNVZHSYHPRO-VIFPVBQESA-N 0 0 335.148 3.444 10 5 EGBERN Cc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)c(N)c1[N+](=O)[O-] ZINC001179879510 1386616208 /nfs/dbraw/zinc/61/62/08/1386616208.db2.gz MPMOFDITNCSNID-ZDUSSCGKSA-N 0 0 333.388 3.163 10 5 EGBERN CN(CC(=O)N1CCC[C@H](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001181062681 1386928500 /nfs/dbraw/zinc/92/85/00/1386928500.db2.gz LQDOGVYPSAFLHZ-INIZCTEOSA-N 0 0 345.443 3.460 10 5 EGBERN Cc1ccc(/C=C\c2nnc(COc3ccccc3[N+](=O)[O-])o2)cn1 ZINC001322398965 1387179303 /nfs/dbraw/zinc/17/93/03/1387179303.db2.gz HHERBAJSTKEBKZ-HJWRWDBZSA-N 0 0 338.323 3.431 10 5 EGBERN Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001182667948 1387203309 /nfs/dbraw/zinc/20/33/09/1387203309.db2.gz SUCONEDDCGRYQF-HNNXBMFYSA-N 0 0 334.759 3.020 10 5 EGBERN CO[C@H](COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC001329455326 1389116484 /nfs/dbraw/zinc/11/64/84/1389116484.db2.gz NVWQFPOFJODLEV-OAHLLOKOSA-N 0 0 343.326 3.164 10 5 EGBERN COc1ccc(CSCc2nccn2CC(F)F)cc1[N+](=O)[O-] ZINC001330680627 1389494786 /nfs/dbraw/zinc/49/47/86/1389494786.db2.gz IKUTUQUTAGMELP-UHFFFAOYSA-N 0 0 343.355 3.498 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001332005152 1389942199 /nfs/dbraw/zinc/94/21/99/1389942199.db2.gz RSCRTHHGAPXCPE-LLVKDONJSA-N 0 0 338.791 3.327 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)n2)nc1 ZINC001333753408 1390393170 /nfs/dbraw/zinc/39/31/70/1390393170.db2.gz HBCHRHDABCXSIH-JFUSQASVSA-N 0 0 336.298 3.112 10 5 EGBERN Cc1cccc(NC[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)n1 ZINC001340939292 1390409383 /nfs/dbraw/zinc/40/93/83/1390409383.db2.gz GKVAGZYYTXRAFW-CQSZACIVSA-N 0 0 332.429 3.436 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@]12C[C@H]1CCC2 ZINC001335285172 1390666606 /nfs/dbraw/zinc/66/66/06/1390666606.db2.gz KPVALRUEKKNKAZ-AMIZOPFISA-N 0 0 325.162 3.486 10 5 EGBERN O=C(OCc1cnccc1Cl)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999449 1390749217 /nfs/dbraw/zinc/74/92/17/1390749217.db2.gz WZTQAPKTVRWJSM-ZIAGYGMSSA-N 0 0 332.743 3.490 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC001345000325 1390829634 /nfs/dbraw/zinc/82/96/34/1390829634.db2.gz MCTAVNYZTHDPCL-LBPRGKRZSA-N 0 0 337.763 3.046 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[C@@]12CCOC2 ZINC001345144223 1390841113 /nfs/dbraw/zinc/84/11/13/1390841113.db2.gz RFKVFWKVZSDLDV-HWWQOWPSSA-N 0 0 337.397 3.045 10 5 EGBERN O=C(OCc1ccnn1C(F)F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345532992 1390864284 /nfs/dbraw/zinc/86/42/84/1390864284.db2.gz VAHASPPGBZIFOC-CHWSQXEVSA-N 0 0 337.282 3.033 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCOC2(CCOCC2)C1 ZINC001345630693 1390870294 /nfs/dbraw/zinc/87/02/94/1390870294.db2.gz BNMMKWKQRQAVMJ-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001346196303 1390914557 /nfs/dbraw/zinc/91/45/57/1390914557.db2.gz CULIGTFOUHPHPJ-LLVKDONJSA-N 0 0 335.747 3.009 10 5 EGBERN CC1(C)C[C@@H](OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CO1 ZINC001346765100 1390978133 /nfs/dbraw/zinc/97/81/33/1390978133.db2.gz LMWSTFNYKQMZDU-SECBINFHSA-N 0 0 331.727 3.041 10 5 EGBERN CCCc1[nH]nc(C(=O)OC[C@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC001346765051 1390978191 /nfs/dbraw/zinc/97/81/91/1390978191.db2.gz KPBYECKIHJVSIT-ZDUSSCGKSA-N 0 0 339.392 3.023 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001346834813 1390981236 /nfs/dbraw/zinc/98/12/36/1390981236.db2.gz NLKNLANPSHNJHV-WQAKAFBOSA-N 0 0 341.310 3.328 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001347371307 1391063088 /nfs/dbraw/zinc/06/30/88/1391063088.db2.gz SHOJMSWNPOTSGK-GOEBONIOSA-N 0 0 332.356 3.294 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1([C@H]2CCCO2)CCC1 ZINC001347727624 1391116206 /nfs/dbraw/zinc/11/62/06/1391116206.db2.gz PBODEOJQGMUBQG-GFCCVEGCSA-N 0 0 339.779 3.471 10 5 EGBERN O=C(CCCC(F)(F)F)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001347949145 1391150085 /nfs/dbraw/zinc/15/00/85/1391150085.db2.gz RDLHPLLVTOSKPN-UHFFFAOYSA-N 0 0 335.234 3.004 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1CCCCO1 ZINC001347962105 1391151575 /nfs/dbraw/zinc/15/15/75/1391151575.db2.gz KTQKFUOVQVJNJS-NSHDSACASA-N 0 0 327.764 3.293 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@]2(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001348553144 1391236749 /nfs/dbraw/zinc/23/67/49/1391236749.db2.gz AOIHFQLOIKQWQJ-LJQANCHMSA-N 0 0 340.379 3.285 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC001349281635 1391317301 /nfs/dbraw/zinc/31/73/01/1391317301.db2.gz XIZGQOUZWVBIDQ-DLBZAZTESA-N 0 0 339.351 3.295 10 5 EGBERN O=C([C@H]1CCOc2c(F)cccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349435430 1391330558 /nfs/dbraw/zinc/33/05/58/1391330558.db2.gz WPKGTXCWWQBMLF-AWEZNQCLSA-N 0 0 342.326 3.189 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001349904667 1391383563 /nfs/dbraw/zinc/38/35/63/1391383563.db2.gz SIZQDNPFQXRWOQ-UHFFFAOYSA-N 0 0 343.339 3.392 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001349951645 1391390237 /nfs/dbraw/zinc/39/02/37/1391390237.db2.gz RIDJSWGNTKJBNF-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)cc1[N+](=O)[O-] ZINC001349952121 1391390349 /nfs/dbraw/zinc/39/03/49/1391390349.db2.gz WDWUHZWXZOOYQN-OAHLLOKOSA-N 0 0 339.351 3.107 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001350145434 1391420525 /nfs/dbraw/zinc/42/05/25/1391420525.db2.gz XFQUDURBEKDZQZ-HIFRSBDPSA-N 0 0 327.340 3.281 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC001350235261 1391434725 /nfs/dbraw/zinc/43/47/25/1391434725.db2.gz UVOMMUQDUOKJKQ-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC001350248601 1391436659 /nfs/dbraw/zinc/43/66/59/1391436659.db2.gz PLBDIBYHRWKCBK-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN COCCOc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001350286674 1391441137 /nfs/dbraw/zinc/44/11/37/1391441137.db2.gz CSHTWKHJVRWJJE-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC001350286930 1391441200 /nfs/dbraw/zinc/44/12/00/1391441200.db2.gz HMKHULFTFKMPBC-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN C[C@H]1c2sccc2CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001350306408 1391444653 /nfs/dbraw/zinc/44/46/53/1391444653.db2.gz VGKSSJVJGJGUIG-VIFPVBQESA-N 0 0 346.364 3.145 10 5 EGBERN CC[C@](C)(O)CCOC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001350332029 1391448692 /nfs/dbraw/zinc/44/86/92/1391448692.db2.gz AUUYITOCIJIWPA-INIZCTEOSA-N 0 0 325.361 3.090 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001350382489 1391456210 /nfs/dbraw/zinc/45/62/10/1391456210.db2.gz XCEHMAQABHFODT-GUDFOSOFSA-N 0 0 345.733 3.091 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2cccnc2n1 ZINC001350396863 1391458566 /nfs/dbraw/zinc/45/85/66/1391458566.db2.gz MDKBAXCJPVKZNJ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1cn(-c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001350446072 1391465445 /nfs/dbraw/zinc/46/54/45/1391465445.db2.gz BQNIDTDKGGBDDK-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001350616832 1391491196 /nfs/dbraw/zinc/49/11/96/1391491196.db2.gz UQUUTPAQBAOYIH-UHFFFAOYSA-N 0 0 337.234 3.444 10 5 EGBERN COc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(OC)c1 ZINC001350880134 1391549699 /nfs/dbraw/zinc/54/96/99/1391549699.db2.gz ODLVGUYGQVGOIE-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC001351054894 1391589020 /nfs/dbraw/zinc/58/90/20/1391589020.db2.gz BRJUKQHQAUXYKS-UHFFFAOYSA-N 0 0 346.314 3.043 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)o1 ZINC001351336112 1391628431 /nfs/dbraw/zinc/62/84/31/1391628431.db2.gz MAEBBFXRHKAQSH-UHFFFAOYSA-N 0 0 330.218 3.381 10 5 EGBERN Cc1c(=O)n(C)c2ccccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001351379982 1391634026 /nfs/dbraw/zinc/63/40/26/1391634026.db2.gz NWYNCBDFUYQWHC-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN COc1ccc(-c2cc(C(=O)Oc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC001351429860 1391638923 /nfs/dbraw/zinc/63/89/23/1391638923.db2.gz FASMHUPYBKQZRZ-UHFFFAOYSA-N 0 0 340.291 3.478 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1CCCCO1 ZINC001351738717 1391681905 /nfs/dbraw/zinc/68/19/05/1391681905.db2.gz PVRPLRKSFVPMEK-ZDUSSCGKSA-N 0 0 327.764 3.293 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC001351803533 1391692721 /nfs/dbraw/zinc/69/27/21/1391692721.db2.gz PLFQTSMUYMOVCV-UHFFFAOYSA-N 0 0 339.307 3.481 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001352034246 1391748703 /nfs/dbraw/zinc/74/87/03/1391748703.db2.gz FABDKXCDEXRCIG-IRXDYDNUSA-N 0 0 344.342 3.072 10 5 EGBERN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC001352124592 1391762206 /nfs/dbraw/zinc/76/22/06/1391762206.db2.gz MHPHWVBDRKCIMK-APHBMKBZSA-N 0 0 326.352 3.321 10 5 EGBERN O=C(Cc1ccc2c(c1)CCCO2)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001352370977 1391789818 /nfs/dbraw/zinc/78/98/18/1391789818.db2.gz KEBLQMBHKZTJDQ-UHFFFAOYSA-N 0 0 348.305 3.379 10 5 EGBERN CC(C)n1ncc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl ZINC001352634977 1391827192 /nfs/dbraw/zinc/82/71/92/1391827192.db2.gz RVVXUKNGPPCPPS-UHFFFAOYSA-N 0 0 326.715 3.417 10 5 EGBERN Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001352766323 1391844331 /nfs/dbraw/zinc/84/43/31/1391844331.db2.gz XVAXDUFLOJVSTQ-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@@H]1SCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@H]1C ZINC001353546424 1392036658 /nfs/dbraw/zinc/03/66/58/1392036658.db2.gz PSDRGHZQKSMZIK-QWRGUYRKSA-N 0 0 345.424 3.296 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CCCSCC2)c1 ZINC001354461353 1392145695 /nfs/dbraw/zinc/14/56/95/1392145695.db2.gz XDUSUCICAUYHNC-UHFFFAOYSA-N 0 0 331.235 3.296 10 5 EGBERN O=C(NCc1ccc(F)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001354710138 1392163205 /nfs/dbraw/zinc/16/32/05/1392163205.db2.gz AZIRVPRLGGESHF-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354840912 1392172321 /nfs/dbraw/zinc/17/23/21/1392172321.db2.gz MNBSJKOZKVABBF-UHFFFAOYSA-N 0 0 341.323 3.276 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC001354993586 1392183726 /nfs/dbraw/zinc/18/37/26/1392183726.db2.gz DPHPOYANMWORAB-GFCCVEGCSA-N 0 0 339.351 3.358 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001355025357 1392186714 /nfs/dbraw/zinc/18/67/14/1392186714.db2.gz UJRDMUUKUCEGAA-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN CCCC1(C(=O)N(C)CCN(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001698994710 1406790521 /nfs/dbraw/zinc/79/05/21/1406790521.db2.gz QHULHFVDYVYFKU-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CC1(C)C ZINC001492784916 1396324123 /nfs/dbraw/zinc/32/41/23/1396324123.db2.gz RMLHQBMWTXJALJ-OAHLLOKOSA-N 0 0 343.431 3.220 10 5 EGBERN Cc1sccc1CC(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001689822495 1404161179 /nfs/dbraw/zinc/16/11/79/1404161179.db2.gz ZRCLTWSRWVKTBH-UHFFFAOYSA-N 0 0 347.440 3.068 10 5 EGBERN CN(CCNC(=O)c1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001690127572 1404321233 /nfs/dbraw/zinc/32/12/33/1404321233.db2.gz TWIZUXWEQPUKEI-UHFFFAOYSA-N 0 0 349.337 3.399 10 5 EGBERN CC(C)c1nc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001690211404 1404418794 /nfs/dbraw/zinc/41/87/94/1404418794.db2.gz XXPJWXRQJZJCCT-UHFFFAOYSA-N 0 0 348.428 3.041 10 5 EGBERN CC(C)(C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001691222281 1405163003 /nfs/dbraw/zinc/16/30/03/1405163003.db2.gz YBNVFUQIJYQYRV-UHFFFAOYSA-N 0 0 345.443 3.112 10 5 EGBERN CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001692353915 1405970223 /nfs/dbraw/zinc/97/02/23/1405970223.db2.gz XNFISRYHTJUASU-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001695344183 1406091538 /nfs/dbraw/zinc/09/15/38/1406091538.db2.gz QOXIECXRIPAOAS-STQMWFEESA-N 0 0 329.404 3.498 10 5 EGBERN CCC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001732135856 1428381749 /nfs/dbraw/zinc/38/17/49/1428381749.db2.gz BBEJKLJUSXZWCA-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC1(C)CC1 ZINC001709104113 1417424070 /nfs/dbraw/zinc/42/40/70/1417424070.db2.gz KXKZDMWSLLAQTA-UHFFFAOYSA-N 0 0 341.415 3.112 10 5 EGBERN CN(CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713478558 1418162252 /nfs/dbraw/zinc/16/22/52/1418162252.db2.gz GDRAKANZCRXHOS-UHFFFAOYSA-N 0 0 347.459 3.215 10 5 EGBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC1(C)CCC1 ZINC001726361347 1427049733 /nfs/dbraw/zinc/04/97/33/1427049733.db2.gz CFDQPFHRPASOPJ-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN CN(CCCN(C)C(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001733765911 1429987235 /nfs/dbraw/zinc/98/72/35/1429987235.db2.gz KNFQMCGEMAQFHV-UHFFFAOYSA-N 0 0 347.440 3.250 10 5 EGBERN CCCn1c(C2CC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001766054985 1441399900 /nfs/dbraw/zinc/39/99/00/1441399900.db2.gz SBHNLELPCUVTLR-UHFFFAOYSA-N 0 0 329.404 3.153 10 5 EGBERN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c([N+](=O)[O-])c1 ZINC000054624897 214246389 /nfs/dbraw/zinc/24/63/89/214246389.db2.gz AACCFVQYNROONY-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2c(F)cccc2F)c1 ZINC000049998704 214040477 /nfs/dbraw/zinc/04/04/77/214040477.db2.gz ZVISFOFMENJRGG-HNNXBMFYSA-N 0 0 345.305 3.470 10 5 EGBERN CC[C@H](NC(=O)N(C)C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000176683679 529485585 /nfs/dbraw/zinc/48/55/85/529485585.db2.gz PFCAEYGWHKXXQT-BBRMVZONSA-N 0 0 335.404 3.114 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000175127882 231389668 /nfs/dbraw/zinc/38/96/68/231389668.db2.gz BAMRDAYSJSLAGE-AWEZNQCLSA-N 0 0 342.399 3.020 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000342758821 282456385 /nfs/dbraw/zinc/45/63/85/282456385.db2.gz ODKSXQQFUQQFRI-UHFFFAOYSA-N 0 0 327.340 3.362 10 5 EGBERN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2cccc3ccccc32)C1=O ZINC000003909322 210091289 /nfs/dbraw/zinc/09/12/89/210091289.db2.gz XIGVTTQIDPYDJP-UHFFFAOYSA-N 0 0 332.315 3.478 10 5 EGBERN COc1cccc2c1oc(=O)c1c(NC(C)=O)nc3c(c21)CCCC3 ZINC000003655794 210071379 /nfs/dbraw/zinc/07/13/79/210071379.db2.gz YDCMBQQKZNUDRZ-UHFFFAOYSA-N 0 0 338.363 3.187 10 5 EGBERN CC(C)Oc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040659652 213365474 /nfs/dbraw/zinc/36/54/74/213365474.db2.gz IGPGPUMZRUASRU-UHFFFAOYSA-N 0 0 325.328 3.464 10 5 EGBERN CCN(CC)c1ncnc(Nc2cc(C)ccc2OC)c1[N+](=O)[O-] ZINC000040583880 213353438 /nfs/dbraw/zinc/35/34/38/213353438.db2.gz UKNMCBIYPAHEDG-UHFFFAOYSA-N 0 0 331.376 3.292 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181176017 234106534 /nfs/dbraw/zinc/10/65/34/234106534.db2.gz CDPYLMSIKDUHTD-CQSZACIVSA-N 0 0 346.408 3.048 10 5 EGBERN Cn1cc(-c2cc(CSCCc3ccc([N+](=O)[O-])cc3)on2)cn1 ZINC000184122360 235312222 /nfs/dbraw/zinc/31/22/22/235312222.db2.gz KYAVPWXRXLOKNO-UHFFFAOYSA-N 0 0 344.396 3.459 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000358932662 283277702 /nfs/dbraw/zinc/27/77/02/283277702.db2.gz JBRCWUQWILWFLV-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(C)n1 ZINC000072274102 216099166 /nfs/dbraw/zinc/09/91/66/216099166.db2.gz IXIXVKMRBMATPH-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN CCOC(=O)c1c(C)oc2ccc(Oc3c([N+](=O)[O-])ncn3C)cc21 ZINC000026706287 212530594 /nfs/dbraw/zinc/53/05/94/212530594.db2.gz MPOUWPZORHSPRR-UHFFFAOYSA-N 0 0 345.311 3.352 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195510572 240976494 /nfs/dbraw/zinc/97/64/94/240976494.db2.gz OLQCIHYKMSQTHD-UHFFFAOYSA-N 0 0 332.385 3.180 10 5 EGBERN CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000021092892 212206549 /nfs/dbraw/zinc/20/65/49/212206549.db2.gz NYXAIQWUCHVRCW-KRWDZBQOSA-N 0 0 325.324 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@H](O)c1cccs1 ZINC000134023636 223466034 /nfs/dbraw/zinc/46/60/34/223466034.db2.gz SSVKRSAAVRRSMB-FZMZJTMJSA-N 0 0 334.397 3.207 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000351682795 284165186 /nfs/dbraw/zinc/16/51/86/284165186.db2.gz KYKPLZCILDAPTG-PIMMBPRGSA-N 0 0 340.383 3.089 10 5 EGBERN Cc1ncc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080100363 217279006 /nfs/dbraw/zinc/27/90/06/217279006.db2.gz BFOLUOSGEYPCLK-UHFFFAOYSA-N 0 0 334.401 3.094 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000185281480 284360605 /nfs/dbraw/zinc/36/06/05/284360605.db2.gz SGLQJKXSPSDKKJ-CQSZACIVSA-N 0 0 348.742 3.316 10 5 EGBERN COc1ccc(N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000264181128 246148693 /nfs/dbraw/zinc/14/86/93/246148693.db2.gz LQCVZMSLTKCTJS-LLVKDONJSA-N 0 0 344.371 3.080 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C3CC3)C2)c1C ZINC000408179058 169163421 /nfs/dbraw/zinc/16/34/21/169163421.db2.gz ANXYBLHKRMDEIJ-AWEZNQCLSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000012459960 211388770 /nfs/dbraw/zinc/38/87/70/211388770.db2.gz WOFWLQGROLNDLK-UHFFFAOYSA-N 0 0 328.324 3.203 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000373102242 296283378 /nfs/dbraw/zinc/28/33/78/296283378.db2.gz ZPKITDNIGQNJNA-AWEZNQCLSA-N 0 0 345.330 3.202 10 5 EGBERN Cc1cn2c(n1)CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000092634638 218155699 /nfs/dbraw/zinc/15/56/99/218155699.db2.gz MOIXOBDRPGDACZ-NSHDSACASA-N 0 0 338.314 3.128 10 5 EGBERN Cc1c(C(=O)Nc2ccnn2Cc2cccs2)cccc1[N+](=O)[O-] ZINC000008774655 211003111 /nfs/dbraw/zinc/00/31/11/211003111.db2.gz ALKWLZWHKQHBJH-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000267302624 250925899 /nfs/dbraw/zinc/92/58/99/250925899.db2.gz QRNYZCWYPNYXCO-KRWDZBQOSA-N 0 0 340.379 3.340 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000267305144 250928134 /nfs/dbraw/zinc/92/81/34/250928134.db2.gz RLGDTHCAMLXZQG-PBHICJAKSA-N 0 0 342.351 3.002 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268306645 251812161 /nfs/dbraw/zinc/81/21/61/251812161.db2.gz OQTJQWJCSJKYDA-SMDDNHRTSA-N 0 0 348.424 3.249 10 5 EGBERN CCCN(CC(C)(C)O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000268604293 252060693 /nfs/dbraw/zinc/06/06/93/252060693.db2.gz VMBMUPHOLKHOAW-HNNXBMFYSA-N 0 0 337.420 3.238 10 5 EGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1 ZINC000005636750 210506437 /nfs/dbraw/zinc/50/64/37/210506437.db2.gz VUBGVZQSAJVDCI-UHFFFAOYSA-N 0 0 327.384 3.371 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2ccsc2)C1 ZINC000154005444 285091939 /nfs/dbraw/zinc/09/19/39/285091939.db2.gz CVPNQNXLMZOWOM-LBPRGKRZSA-N 0 0 325.777 3.283 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000153504896 285092095 /nfs/dbraw/zinc/09/20/95/285092095.db2.gz RFJBMQUSIMDAGW-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000269358628 285093179 /nfs/dbraw/zinc/09/31/79/285093179.db2.gz IMRWJYKLMMFSKP-NSHDSACASA-N 0 0 343.836 3.500 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCC2)no1 ZINC000171793894 533299490 /nfs/dbraw/zinc/29/94/90/533299490.db2.gz ZSIROVXNOMXWPY-SNVBAGLBSA-N 0 0 330.344 3.126 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000187022665 533522043 /nfs/dbraw/zinc/52/20/43/533522043.db2.gz KFWSYYUSVWBNDH-ZDUSSCGKSA-N 0 0 347.396 3.346 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000408459839 296510210 /nfs/dbraw/zinc/51/02/10/296510210.db2.gz ZKWXWKKMLONWCM-CJNGLKHVSA-N 0 0 342.399 3.257 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000338083555 141090520 /nfs/dbraw/zinc/09/05/20/141090520.db2.gz BDEPDOQVXAHLSL-CQSZACIVSA-N 0 0 348.305 3.299 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(n1)CCCC2 ZINC000338143290 141102102 /nfs/dbraw/zinc/10/21/02/141102102.db2.gz OBVGSHYMJAPEHP-UHFFFAOYSA-N 0 0 339.395 3.183 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000344483317 141162494 /nfs/dbraw/zinc/16/24/94/141162494.db2.gz KVAKOGUWXSQCEH-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN CCN(C)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000346446793 141196200 /nfs/dbraw/zinc/19/62/00/141196200.db2.gz CIURZSFAPVQLOF-UHFFFAOYSA-N 0 0 347.396 3.309 10 5 EGBERN Cc1ccnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000347966437 141224881 /nfs/dbraw/zinc/22/48/81/141224881.db2.gz GEHMPPDVQSOVBU-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN O=C(NC1(CO)CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000347989025 141229265 /nfs/dbraw/zinc/22/92/65/141229265.db2.gz KPVPESZKYSMQHW-UHFFFAOYSA-N 0 0 344.392 3.001 10 5 EGBERN COc1cc2c(cc1F)CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000348793989 141246906 /nfs/dbraw/zinc/24/69/06/141246906.db2.gz NTRUCNRRAZPRCF-UHFFFAOYSA-N 0 0 346.358 3.180 10 5 EGBERN CC(=O)CCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356859057 141356848 /nfs/dbraw/zinc/35/68/48/141356848.db2.gz MYOSQKQGBVXURS-UHFFFAOYSA-N 0 0 329.150 3.055 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC[C@@H]1CCO ZINC000356858816 141356982 /nfs/dbraw/zinc/35/69/82/141356982.db2.gz LXODOWFTWAPNOR-GFCCVEGCSA-N 0 0 326.780 3.015 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359609017 141384596 /nfs/dbraw/zinc/38/45/96/141384596.db2.gz WYULQCMGVOREDZ-UHFFFAOYSA-N 0 0 339.351 3.253 10 5 EGBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000128621600 143964028 /nfs/dbraw/zinc/96/40/28/143964028.db2.gz JZELJHVXTFLNBZ-YGRLFVJLSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000129948107 143966421 /nfs/dbraw/zinc/96/64/21/143966421.db2.gz BGYOXAIPIJPRBD-BLLLJJGKSA-N 0 0 326.352 3.198 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000172747884 144027541 /nfs/dbraw/zinc/02/75/41/144027541.db2.gz IRXLIIQRVVCFBC-VIFPVBQESA-N 0 0 338.360 3.301 10 5 EGBERN CSCCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173639709 144045488 /nfs/dbraw/zinc/04/54/88/144045488.db2.gz SIMMEMSSHQMJDY-UHFFFAOYSA-N 0 0 338.429 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C(F)F)cc2)s1 ZINC000183856063 144080907 /nfs/dbraw/zinc/08/09/07/144080907.db2.gz BTDFLJLPRKPJCH-UHFFFAOYSA-N 0 0 348.352 3.072 10 5 EGBERN CCC1(CC)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[S@]1=O ZINC000185263209 144109497 /nfs/dbraw/zinc/10/94/97/144109497.db2.gz UISAEUDUIMSSSA-JOCHJYFZSA-N 0 0 344.864 3.371 10 5 EGBERN CSc1cccc(C(=O)Nc2ncc(C(C)=O)s2)c1[N+](=O)[O-] ZINC000186518762 144136027 /nfs/dbraw/zinc/13/60/27/144136027.db2.gz JFWSEIZDDNWLAP-UHFFFAOYSA-N 0 0 337.382 3.228 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(F)c(Cl)cc1F ZINC000345533376 144248573 /nfs/dbraw/zinc/24/85/73/144248573.db2.gz COIFPJAZSRLXKY-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2ccccc2F)CC1 ZINC000363875509 144373157 /nfs/dbraw/zinc/37/31/57/144373157.db2.gz ZWCFFBJZYARVHB-UHFFFAOYSA-N 0 0 343.358 3.224 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000369806723 144444709 /nfs/dbraw/zinc/44/47/09/144444709.db2.gz ZGHDKQCCXSITOV-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN CCc1nc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cs1 ZINC000341072509 155140066 /nfs/dbraw/zinc/14/00/66/155140066.db2.gz UIJWSKFOIMPDDU-UHFFFAOYSA-N 0 0 346.412 3.118 10 5 EGBERN COc1cc(F)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341169701 155205070 /nfs/dbraw/zinc/20/50/70/155205070.db2.gz WOXRMDTZSFHYPO-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000341301642 155235303 /nfs/dbraw/zinc/23/53/03/155235303.db2.gz YNHMUBNNVJCNFX-RYUDHWBXSA-N 0 0 332.331 3.379 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000115277546 152003480 /nfs/dbraw/zinc/00/34/80/152003480.db2.gz ANSAFCLIZZSGGU-WFASDCNBSA-N 0 0 336.436 3.131 10 5 EGBERN Cc1cc(F)ccc1N1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1=O ZINC000117108617 152085242 /nfs/dbraw/zinc/08/52/42/152085242.db2.gz SZOMCOULUNLSIV-HNNXBMFYSA-N 0 0 345.330 3.012 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000117578358 152105245 /nfs/dbraw/zinc/10/52/45/152105245.db2.gz ZMRCSJIMUGOYDK-MGPLVRAMSA-N 0 0 328.324 3.107 10 5 EGBERN O=C(CN1CC=C(c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000117895506 152118927 /nfs/dbraw/zinc/11/89/27/152118927.db2.gz ZGIRNWJLMJTVCV-UHFFFAOYSA-N 0 0 343.408 3.384 10 5 EGBERN Cc1cc(C(=O)N2CCC(C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000162421310 152782382 /nfs/dbraw/zinc/78/23/82/152782382.db2.gz JLKVNUGESYACTN-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000174652411 152872980 /nfs/dbraw/zinc/87/29/80/152872980.db2.gz INRQZZIMHRMXKR-RUXDESIVSA-N 0 0 336.388 3.388 10 5 EGBERN C[C@H](NCc1noc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000341590008 155370987 /nfs/dbraw/zinc/37/09/87/155370987.db2.gz SUSCTRIPXUAUOU-ZDUSSCGKSA-N 0 0 338.367 3.419 10 5 EGBERN COc1ccc(NC(=O)c2oc(CC(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000188355424 153012918 /nfs/dbraw/zinc/01/29/18/153012918.db2.gz JIQLYUIYDNKLCY-UHFFFAOYSA-N 0 0 333.344 3.351 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191629190 153211362 /nfs/dbraw/zinc/21/13/62/153211362.db2.gz BLMFWQLEFRDQJC-QWRGUYRKSA-N 0 0 344.820 3.024 10 5 EGBERN CSc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000193589691 153297178 /nfs/dbraw/zinc/29/71/78/153297178.db2.gz TWKDLWIINLPIED-OCCSQVGLSA-N 0 0 336.413 3.100 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)cc2OC)c1 ZINC000328268313 154189586 /nfs/dbraw/zinc/18/95/86/154189586.db2.gz GJUGYWOIXJHMMT-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3C(F)F)n2)cc1 ZINC000337397143 154332066 /nfs/dbraw/zinc/33/20/66/154332066.db2.gz JLZGZAKXPZWICJ-GFCCVEGCSA-N 0 0 338.314 3.264 10 5 EGBERN CC(C)C(C)(C)[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337652428 154472593 /nfs/dbraw/zinc/47/25/93/154472593.db2.gz CDTANUJJGLJCQJ-QFIPXVFZSA-N 0 0 326.418 3.107 10 5 EGBERN Cn1ccc(CSc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000339116359 154703923 /nfs/dbraw/zinc/70/39/23/154703923.db2.gz MGVKLCHQBYGCMW-UHFFFAOYSA-N 0 0 328.191 3.383 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000343101030 155649943 /nfs/dbraw/zinc/64/99/43/155649943.db2.gz RUQVECXMKPRSLX-NSHDSACASA-N 0 0 333.413 3.219 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cc(C)ccc1[N+](=O)[O-])CC2 ZINC000346976986 156225757 /nfs/dbraw/zinc/22/57/57/156225757.db2.gz HMSIBAVGDBBLSO-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CSc1nnnn1Cc1ccccc1 ZINC000349037650 156328181 /nfs/dbraw/zinc/32/81/81/156328181.db2.gz MVANVYHGXJXYDA-UHFFFAOYSA-N 0 0 345.359 3.061 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCn2c(cc3ccccc32)C1 ZINC000360111626 156920685 /nfs/dbraw/zinc/92/06/85/156920685.db2.gz UNLGQPNWDUDUDX-UHFFFAOYSA-N 0 0 325.372 3.095 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000365314806 157104848 /nfs/dbraw/zinc/10/48/48/157104848.db2.gz CVVAWRXHCWBNRG-CYBMUJFWSA-N 0 0 340.383 3.185 10 5 EGBERN COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000372465720 157337004 /nfs/dbraw/zinc/33/70/04/157337004.db2.gz WHTLUSVJMVFXOL-UHFFFAOYSA-N 0 0 346.408 3.214 10 5 EGBERN CC(C)n1ncc2c1C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000372804178 157387860 /nfs/dbraw/zinc/38/78/60/157387860.db2.gz ZNRCPDUPBXXGNA-CQSZACIVSA-N 0 0 343.387 3.051 10 5 EGBERN COc1ccc2nc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000073304107 161666823 /nfs/dbraw/zinc/66/68/23/161666823.db2.gz JEVBIXJGJDDUNM-UHFFFAOYSA-N 0 0 337.335 3.428 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC000109052541 162092348 /nfs/dbraw/zinc/09/23/48/162092348.db2.gz CNTFTWYCVCVNEO-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN CCCc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000109913476 162115128 /nfs/dbraw/zinc/11/51/28/162115128.db2.gz LYTIMEWEYLAYCU-UHFFFAOYSA-N 0 0 329.360 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114362265 162229500 /nfs/dbraw/zinc/22/95/00/162229500.db2.gz XUMXLCTVXBHNSM-INIZCTEOSA-N 0 0 341.367 3.124 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000183549418 162831875 /nfs/dbraw/zinc/83/18/75/162831875.db2.gz NOUKYXULNWGVLM-AWEZNQCLSA-N 0 0 344.346 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C(F)F)cc1C ZINC000337041057 163112272 /nfs/dbraw/zinc/11/22/72/163112272.db2.gz KJKUQSSXZFJYFN-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)cc1 ZINC000337164490 163149669 /nfs/dbraw/zinc/14/96/69/163149669.db2.gz XQAXIYSHPHIMQP-UHFFFAOYSA-N 0 0 336.344 3.412 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCc2nccs2)C(C)C)c1 ZINC000338342809 163217806 /nfs/dbraw/zinc/21/78/06/163217806.db2.gz MUPPGKMNMIXJDQ-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN Cc1cc(N(C)Cc2ccc(N)nc2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338701131 163323431 /nfs/dbraw/zinc/32/34/31/163323431.db2.gz NMBUQYJPSKLJDX-UHFFFAOYSA-N 0 0 340.305 3.366 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000340923233 163694490 /nfs/dbraw/zinc/69/44/90/163694490.db2.gz MYCDRWFRQAXNCM-KRWDZBQOSA-N 0 0 332.379 3.427 10 5 EGBERN CC(C)CSCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342754286 163957603 /nfs/dbraw/zinc/95/76/03/163957603.db2.gz JQIOBZKWECKEEK-UHFFFAOYSA-N 0 0 346.399 3.311 10 5 EGBERN Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccc2n1 ZINC000344199347 164125146 /nfs/dbraw/zinc/12/51/46/164125146.db2.gz QMERCJPAOOVBAC-UHFFFAOYSA-N 0 0 344.758 3.386 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@H]1C(F)F ZINC000344404257 164170642 /nfs/dbraw/zinc/17/06/42/164170642.db2.gz WLRZPOPMJOQUSI-LBPRGKRZSA-N 0 0 334.269 3.062 10 5 EGBERN CCOc1ccc(C(=O)N=c2cc(C3CCCC3)[nH][nH]2)cc1[N+](=O)[O-] ZINC000345576733 164219134 /nfs/dbraw/zinc/21/91/34/164219134.db2.gz RASORZABXZLEFH-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN COc1cc(-c2nc(-c3ncccc3C)no2)cc([N+](=O)[O-])c1C ZINC000345864324 164283224 /nfs/dbraw/zinc/28/32/24/164283224.db2.gz CXTDTBZPVCVVTE-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CSc1c(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cnn1C ZINC000345979856 164308271 /nfs/dbraw/zinc/30/82/71/164308271.db2.gz CQOPZJRLZAESMO-UHFFFAOYSA-N 0 0 331.357 3.076 10 5 EGBERN CCOCc1ccc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)cc1 ZINC000346339581 164371015 /nfs/dbraw/zinc/37/10/15/164371015.db2.gz VSTCWVYIHHQTQL-UHFFFAOYSA-N 0 0 343.343 3.065 10 5 EGBERN C[C@@H](N(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000347356150 164486632 /nfs/dbraw/zinc/48/66/32/164486632.db2.gz ISHPZTOSVZWWFE-CQSZACIVSA-N 0 0 344.415 3.255 10 5 EGBERN CCOCCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348631371 164786995 /nfs/dbraw/zinc/78/69/95/164786995.db2.gz CSMOHYAGNCZPSC-UHFFFAOYSA-N 0 0 334.294 3.160 10 5 EGBERN Cc1nn(Cc2nnc(-c3ccccc3)n2C)c2ccc([N+](=O)[O-])cc12 ZINC000354932623 166067983 /nfs/dbraw/zinc/06/79/83/166067983.db2.gz WKLMFMUJINKPHU-UHFFFAOYSA-N 0 0 348.366 3.097 10 5 EGBERN CO[C@@](C)(c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)C1CC1 ZINC000350439236 165051358 /nfs/dbraw/zinc/05/13/58/165051358.db2.gz UIJWQRVREYKCFP-QGZVFWFLSA-N 0 0 342.355 3.322 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(c2ccccc2)CC1 ZINC000351650361 165114146 /nfs/dbraw/zinc/11/41/46/165114146.db2.gz MPCNCEMZCOSYBH-UHFFFAOYSA-N 0 0 344.346 3.088 10 5 EGBERN COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352091487 165230350 /nfs/dbraw/zinc/23/03/50/165230350.db2.gz FOHJXRZQIWJDNZ-APWZRJJASA-N 0 0 341.411 3.138 10 5 EGBERN COc1cc(Cn2ccc3ccc(F)cc3c2=O)ccc1[N+](=O)[O-] ZINC000352223853 165293227 /nfs/dbraw/zinc/29/32/27/165293227.db2.gz UAHCFYMXDNKCEY-UHFFFAOYSA-N 0 0 328.299 3.106 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352390451 165377605 /nfs/dbraw/zinc/37/76/05/165377605.db2.gz LMCZKAILTVUYPD-LJQANCHMSA-N 0 0 346.427 3.292 10 5 EGBERN COc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422878 165393568 /nfs/dbraw/zinc/39/35/68/165393568.db2.gz LMRYXGPYCDCDHI-DOTOQJQBSA-N 0 0 332.400 3.137 10 5 EGBERN COCCNC(=O)c1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353866568 165907775 /nfs/dbraw/zinc/90/77/75/165907775.db2.gz IEDGCYOHKKFZPT-CYBMUJFWSA-N 0 0 343.383 3.144 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)C ZINC000353915629 165920944 /nfs/dbraw/zinc/92/09/44/165920944.db2.gz VWZZAAOTEXEDQQ-LLVKDONJSA-N 0 0 326.418 3.202 10 5 EGBERN Cc1sc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355178108 166124893 /nfs/dbraw/zinc/12/48/93/166124893.db2.gz MATFKMKPEOAWFA-MGPLVRAMSA-N 0 0 340.445 3.272 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(CCF)CC1 ZINC000355297474 166157485 /nfs/dbraw/zinc/15/74/85/166157485.db2.gz MEZRTFCWDZPPOX-UHFFFAOYSA-N 0 0 334.269 3.370 10 5 EGBERN C[C@H](CCc1ccco1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000355390072 166182585 /nfs/dbraw/zinc/18/25/85/166182585.db2.gz ZOPVXTBTGPHJNQ-LLVKDONJSA-N 0 0 327.340 3.420 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000355467038 166209978 /nfs/dbraw/zinc/20/99/78/166209978.db2.gz AUIIXDCWFNSBCE-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CCn3cnc4ccccc43)no2)s1 ZINC000355592097 166254345 /nfs/dbraw/zinc/25/43/45/166254345.db2.gz SOTVOYLNLWMCHZ-UHFFFAOYSA-N 0 0 341.352 3.299 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)C1=CCCCC1 ZINC000355684381 166283221 /nfs/dbraw/zinc/28/32/21/166283221.db2.gz UTFWOPMQDLIYBO-UHFFFAOYSA-N 0 0 334.420 3.133 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2nsnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000355727043 166291500 /nfs/dbraw/zinc/29/15/00/166291500.db2.gz BOCSDTXEHGQKET-CYBMUJFWSA-N 0 0 342.380 3.481 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000355907074 166344174 /nfs/dbraw/zinc/34/41/74/166344174.db2.gz WNOHSPDDEJBQDG-INWMFGNUSA-N 0 0 335.404 3.160 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2C[C@H]2c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000357679138 166742823 /nfs/dbraw/zinc/74/28/23/166742823.db2.gz GSYBCEQBVDISJC-HOTGVXAUSA-N 0 0 348.362 3.210 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357684567 166744658 /nfs/dbraw/zinc/74/46/58/166744658.db2.gz HUHICVJNHHTEOI-GUYCJALGSA-N 0 0 344.342 3.242 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1F ZINC000358904692 167000363 /nfs/dbraw/zinc/00/03/63/167000363.db2.gz WYRSRFMJWIWGDE-UHFFFAOYSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000358910194 167002152 /nfs/dbraw/zinc/00/21/52/167002152.db2.gz TVSGQYOCYKVNCI-CQSZACIVSA-N 0 0 331.372 3.052 10 5 EGBERN Cn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000358929638 167009582 /nfs/dbraw/zinc/00/95/82/167009582.db2.gz VEWYETWUNWUKDU-UHFFFAOYSA-N 0 0 334.401 3.162 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000358937575 167013247 /nfs/dbraw/zinc/01/32/47/167013247.db2.gz YZXOGWPGKZICFR-LBPRGKRZSA-N 0 0 332.356 3.013 10 5 EGBERN C[C@@H](N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000359059283 167054129 /nfs/dbraw/zinc/05/41/29/167054129.db2.gz ANVANUMDDRAIHQ-SECBINFHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2nnc3ccccn32)C(C)C)n1 ZINC000359093779 167064789 /nfs/dbraw/zinc/06/47/89/167064789.db2.gz JUWXDIIOZVLGCN-AWEZNQCLSA-N 0 0 340.387 3.459 10 5 EGBERN COc1cc(C)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000359217766 167098549 /nfs/dbraw/zinc/09/85/49/167098549.db2.gz CUPZCMZAUAHDGW-UHFFFAOYSA-N 0 0 327.384 3.174 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC(c2nc3ccccc3s2)C1 ZINC000359545988 167187569 /nfs/dbraw/zinc/18/75/69/167187569.db2.gz SRVBWHYZGBDTPP-UHFFFAOYSA-N 0 0 343.412 3.333 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(NC(C)=O)cc2)c1 ZINC000359830854 167243336 /nfs/dbraw/zinc/24/33/36/167243336.db2.gz JDWVWXRFCISBNQ-UHFFFAOYSA-N 0 0 330.296 3.132 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000360703690 167392365 /nfs/dbraw/zinc/39/23/65/167392365.db2.gz AWPQRUJMFMBATD-ZDUSSCGKSA-N 0 0 334.401 3.096 10 5 EGBERN Cc1cc(NC(=O)[C@H]2Cc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000360727968 167399838 /nfs/dbraw/zinc/39/98/38/167399838.db2.gz BMBSIKDAQZSVMF-HNNXBMFYSA-N 0 0 333.347 3.152 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC(c2ccccc2F)C1 ZINC000361231441 167562857 /nfs/dbraw/zinc/56/28/57/167562857.db2.gz YBEKULVJWSWNNT-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000366194144 168092573 /nfs/dbraw/zinc/09/25/73/168092573.db2.gz YVWNDQXDUNOXBB-OAHLLOKOSA-N 0 0 325.368 3.400 10 5 EGBERN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000366288603 168102776 /nfs/dbraw/zinc/10/27/76/168102776.db2.gz VTMAGMYAFZVQJZ-GOEBONIOSA-N 0 0 340.807 3.018 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000366829852 168146207 /nfs/dbraw/zinc/14/62/07/168146207.db2.gz PZFMNMNMTBMQGH-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN CC(=O)c1cc(N2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000367339809 168210375 /nfs/dbraw/zinc/21/03/75/168210375.db2.gz PWLCFCZZJYFGAU-UHFFFAOYSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1c(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000367563743 168242286 /nfs/dbraw/zinc/24/22/86/168242286.db2.gz MMOBAERCRFMZEB-MAUKXSAKSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(C)c1 ZINC000123878680 222345517 /nfs/dbraw/zinc/34/55/17/222345517.db2.gz XXERIEJDGXNQDC-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN CC[C@H](NC(=O)Cc1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000124660605 222460836 /nfs/dbraw/zinc/46/08/36/222460836.db2.gz DDPIKIUFLHUOMM-AWEZNQCLSA-N 0 0 333.413 3.478 10 5 EGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000087035161 264676348 /nfs/dbraw/zinc/67/63/48/264676348.db2.gz NBEOWRSRASDGAT-GFCCVEGCSA-N 0 0 342.351 3.134 10 5 EGBERN COC(=O)[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154491235 264806381 /nfs/dbraw/zinc/80/63/81/264806381.db2.gz MVPMFSPKNIROHQ-ZBZNSMLMSA-N 0 0 326.352 3.112 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000174189929 265030810 /nfs/dbraw/zinc/03/08/10/265030810.db2.gz CVQMQEHZVAQJGM-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000174681628 265064432 /nfs/dbraw/zinc/06/44/32/265064432.db2.gz UOBVMBLYDQJZLP-LLVKDONJSA-N 0 0 334.397 3.470 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000175240128 265102520 /nfs/dbraw/zinc/10/25/20/265102520.db2.gz BWXFYALJSPDDMF-HOTGVXAUSA-N 0 0 349.431 3.354 10 5 EGBERN C[C@@H](COCc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000176342699 265171436 /nfs/dbraw/zinc/17/14/36/265171436.db2.gz CIRGKVDPMPHARH-HNNXBMFYSA-N 0 0 342.395 3.249 10 5 EGBERN CCOc1ccc(C(=O)N(CC)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000177676231 265272122 /nfs/dbraw/zinc/27/21/22/265272122.db2.gz SIIQBGXUKFODJM-UHFFFAOYSA-N 0 0 329.356 3.051 10 5 EGBERN CCCn1nccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178994521 265355291 /nfs/dbraw/zinc/35/52/91/265355291.db2.gz YBKKKCWUGDIEBH-UHFFFAOYSA-N 0 0 343.387 3.398 10 5 EGBERN CCc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000190176642 265822456 /nfs/dbraw/zinc/82/24/56/265822456.db2.gz JBCYIRDJKCRUEN-UHFFFAOYSA-N 0 0 341.367 3.351 10 5 EGBERN CCOC(=O)c1cc(C)sc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000193370749 266027312 /nfs/dbraw/zinc/02/73/12/266027312.db2.gz BHLBDJJMUSMLLW-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000193480560 266037225 /nfs/dbraw/zinc/03/72/25/266037225.db2.gz LVRSAOQXDJCZTG-UHFFFAOYSA-N 0 0 345.380 3.061 10 5 EGBERN C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193749838 266058721 /nfs/dbraw/zinc/05/87/21/266058721.db2.gz MJKZMLAARVAFAT-IINYFYTJSA-N 0 0 327.340 3.064 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1F ZINC000193888002 266072375 /nfs/dbraw/zinc/07/23/75/266072375.db2.gz FMRJBPHZZKSJJP-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COc1cccc(C(=O)Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000194239336 266100912 /nfs/dbraw/zinc/10/09/12/266100912.db2.gz VNZFBBVCLKYXLO-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CCCC1 ZINC000194764375 266143936 /nfs/dbraw/zinc/14/39/36/266143936.db2.gz YZUZYQDWSYQFLK-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000195478537 266184351 /nfs/dbraw/zinc/18/43/51/266184351.db2.gz RQNDBEPFHAPCJX-UHFFFAOYSA-N 0 0 328.372 3.397 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]1(C)CCCO ZINC000273362752 267027586 /nfs/dbraw/zinc/02/75/86/267027586.db2.gz WHBVUICDAVWIEY-KAUXGEHWSA-N 0 0 332.400 3.152 10 5 EGBERN CCc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000273838054 267121327 /nfs/dbraw/zinc/12/13/27/267121327.db2.gz DZEJTOLSYWVYTF-UHFFFAOYSA-N 0 0 338.367 3.311 10 5 EGBERN Cc1cnc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)c([N+](=O)[O-])c1 ZINC000275543763 267378969 /nfs/dbraw/zinc/37/89/69/267378969.db2.gz GWOHWXZIHWORMS-HNNXBMFYSA-N 0 0 341.415 3.252 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000276430395 267543878 /nfs/dbraw/zinc/54/38/78/267543878.db2.gz POGLLTXKPLSXOW-BBRMVZONSA-N 0 0 349.431 3.472 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000046105516 275135660 /nfs/dbraw/zinc/13/56/60/275135660.db2.gz LVOJUFNNHRXJBS-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCCCc1ccccc1 ZINC000046633369 275138131 /nfs/dbraw/zinc/13/81/31/275138131.db2.gz SBFWXUABMNCIOW-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542569 275169069 /nfs/dbraw/zinc/16/90/69/275169069.db2.gz FPCCNFFAIPNPEJ-QGZVFWFLSA-N 0 0 349.431 3.128 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189613640 275220145 /nfs/dbraw/zinc/22/01/45/275220145.db2.gz JUXBZTSXKFISAR-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccccc1F ZINC000194831267 275227434 /nfs/dbraw/zinc/22/74/34/275227434.db2.gz HEKFFNKXJITKFP-UHFFFAOYSA-N 0 0 331.347 3.145 10 5 EGBERN COc1cccc(C(=O)Nc2cccc(C)c2C(C)=O)c1[N+](=O)[O-] ZINC000194933170 275230607 /nfs/dbraw/zinc/23/06/07/275230607.db2.gz BLPVFTRMXPLUAA-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN Cc1csc(C2(NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CCC2)n1 ZINC000269388943 275236305 /nfs/dbraw/zinc/23/63/05/275236305.db2.gz LIAQDEAVTXVAOA-UHFFFAOYSA-N 0 0 349.416 3.015 10 5 EGBERN C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000271919636 275241525 /nfs/dbraw/zinc/24/15/25/275241525.db2.gz DJCPPTQBZATAAU-IAQYHMDHSA-N 0 0 329.356 3.264 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000071899563 275968098 /nfs/dbraw/zinc/96/80/98/275968098.db2.gz XRPTXULPJOHWHP-CYBMUJFWSA-N 0 0 342.399 3.028 10 5 EGBERN CC(=O)c1cc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000287102255 276084007 /nfs/dbraw/zinc/08/40/07/276084007.db2.gz ZFHSFDCOJBUEND-ZDUSSCGKSA-N 0 0 348.399 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC[C@@H]1CC(F)F ZINC000287374055 276113387 /nfs/dbraw/zinc/11/33/87/276113387.db2.gz RCHHATFDNJDEFV-NSHDSACASA-N 0 0 343.330 3.100 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@@H](c3cccs3)C2)s1 ZINC000287727468 276151404 /nfs/dbraw/zinc/15/14/04/276151404.db2.gz FRHSZHDCSCVEDF-SNVBAGLBSA-N 0 0 348.409 3.239 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCSC1 ZINC000288978735 276274131 /nfs/dbraw/zinc/27/41/31/276274131.db2.gz MMIHYUDDYCBAMH-SNVBAGLBSA-N 0 0 328.821 3.430 10 5 EGBERN CO[C@H]1C[C@@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000289110189 276292163 /nfs/dbraw/zinc/29/21/63/276292163.db2.gz CTMLQTFWYHKCIX-GASCZTMLSA-N 0 0 333.413 3.328 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000289130746 276294747 /nfs/dbraw/zinc/29/47/47/276294747.db2.gz RMJOVKZMHJDQJB-CYBMUJFWSA-N 0 0 329.360 3.372 10 5 EGBERN COc1cc(CCO)ccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000289645914 276371528 /nfs/dbraw/zinc/37/15/28/276371528.db2.gz LIKVTLMJJJHYML-UHFFFAOYSA-N 0 0 336.775 3.404 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000289682019 276377442 /nfs/dbraw/zinc/37/74/42/276377442.db2.gz FYBIXDRJAGMLTN-YVEFUNNKSA-N 0 0 343.383 3.401 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000290199020 276462276 /nfs/dbraw/zinc/46/22/76/276462276.db2.gz OYHBVUCJZZNPLM-RISCZKNCSA-N 0 0 334.376 3.316 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1[C@H]1CCCO1 ZINC000290697911 276530221 /nfs/dbraw/zinc/53/02/21/276530221.db2.gz VOJCPSVJXDTPDI-HZPDHXFCSA-N 0 0 343.383 3.106 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)no1 ZINC000290753507 276536930 /nfs/dbraw/zinc/53/69/30/276536930.db2.gz STOLWGQHENLSSB-SNVBAGLBSA-N 0 0 343.343 3.236 10 5 EGBERN CC(C)(CCc1noc([C@H]2Cc3cc(Cl)ccc3O2)n1)[N+](=O)[O-] ZINC000291023756 276576646 /nfs/dbraw/zinc/57/66/46/276576646.db2.gz DACCACFMJVPJOY-GFCCVEGCSA-N 0 0 337.763 3.387 10 5 EGBERN COc1ccc(OCCSCc2cc(C)ncn2)c([N+](=O)[O-])c1 ZINC000291934793 276709913 /nfs/dbraw/zinc/70/99/13/276709913.db2.gz XEONRCXSXHMYDB-UHFFFAOYSA-N 0 0 335.385 3.014 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000292548361 276822244 /nfs/dbraw/zinc/82/22/44/276822244.db2.gz NAHRCRIQWSEOGI-OCCSQVGLSA-N 0 0 336.413 3.138 10 5 EGBERN COc1cc2c(cc1F)CN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000359097591 277392497 /nfs/dbraw/zinc/39/24/97/277392497.db2.gz QJSFSJCJEIOGJT-UHFFFAOYSA-N 0 0 331.347 3.317 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OCC(C)C)CC2)c1 ZINC000360145019 277436729 /nfs/dbraw/zinc/43/67/29/277436729.db2.gz RYSZXHYMJXOTCB-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN CC(C)c1csc2[nH]c(Cc3ccc([N+](=O)[O-])cn3)nc(=O)c12 ZINC000096001603 278068451 /nfs/dbraw/zinc/06/84/51/278068451.db2.gz VRLOOEQNCBJAPW-UHFFFAOYSA-N 0 0 330.369 3.002 10 5 EGBERN C[C@@H](c1cccnc1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070019777 278423720 /nfs/dbraw/zinc/42/37/20/278423720.db2.gz XMUCXIYIVJOVJD-AWEZNQCLSA-N 0 0 344.390 3.008 10 5 EGBERN C[C@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(C)(C)C1 ZINC000408168027 278487540 /nfs/dbraw/zinc/48/75/40/278487540.db2.gz ZSDXHXDEMMTTEQ-STQMWFEESA-N 0 0 331.416 3.337 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1OCCc2ccccc21 ZINC000137256109 280023458 /nfs/dbraw/zinc/02/34/58/280023458.db2.gz KXIRTJFZDGAQGW-SGTLLEGYSA-N 0 0 338.363 3.186 10 5 EGBERN Cc1c(Br)c(N[C@H](C)[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165721719 280199047 /nfs/dbraw/zinc/19/90/47/280199047.db2.gz ASYXVUPMMNIRHF-PSASIEDQSA-N 0 0 330.182 3.040 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000346357082 282003634 /nfs/dbraw/zinc/00/36/34/282003634.db2.gz FIFZJZFSEJPAMP-AWEZNQCLSA-N 0 0 344.415 3.326 10 5 EGBERN COc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000189942915 295080556 /nfs/dbraw/zinc/08/05/56/295080556.db2.gz RTCZJFGXUMLRNF-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408106829 301687123 /nfs/dbraw/zinc/68/71/23/301687123.db2.gz ZPPNODIXCDWXGY-MCIONIFRSA-N 0 0 338.429 3.245 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3C[C@H](c4ccccc4)C4(CCC4)C3)nn21 ZINC000413533646 309036184 /nfs/dbraw/zinc/03/61/84/309036184.db2.gz OORXGHLOWSUCJI-OAHLLOKOSA-N 0 0 349.394 3.412 10 5 EGBERN COCC1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000413534708 309036207 /nfs/dbraw/zinc/03/62/07/309036207.db2.gz RLZUITVPRJCUSF-UHFFFAOYSA-N 0 0 336.388 3.307 10 5 EGBERN CCc1cnc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000072504432 307379467 /nfs/dbraw/zinc/37/94/67/307379467.db2.gz VJIYPJOMHCEWQJ-UHFFFAOYSA-N 0 0 339.804 3.240 10 5 EGBERN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000413988802 309055547 /nfs/dbraw/zinc/05/55/47/309055547.db2.gz NZHDVSSDFIUUQU-ZETCQYMHSA-N 0 0 340.248 3.120 10 5 EGBERN Cc1sc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000126849340 307575467 /nfs/dbraw/zinc/57/54/67/307575467.db2.gz IRWKEKGSTAGOGC-IINYFYTJSA-N 0 0 344.458 3.166 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnccc1OC(C)(C)C ZINC000132356592 307656819 /nfs/dbraw/zinc/65/68/19/307656819.db2.gz LCLROFSELNGVRL-UHFFFAOYSA-N 0 0 330.344 3.123 10 5 EGBERN CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134576446 307689966 /nfs/dbraw/zinc/68/99/66/307689966.db2.gz BLNMVUKDSRESAS-MNOVXSKESA-N 0 0 332.447 3.246 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(=O)Nc2ccccc21 ZINC000135095415 307698030 /nfs/dbraw/zinc/69/80/30/307698030.db2.gz OARDMSSLTVCQMR-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000161632658 307905040 /nfs/dbraw/zinc/90/50/40/307905040.db2.gz KFGABSSFMRLJBI-UHFFFAOYSA-N 0 0 327.365 3.336 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000255269075 308044761 /nfs/dbraw/zinc/04/47/61/308044761.db2.gz KZVMWCMISFBTIN-HYXAFXHYSA-N 0 0 344.342 3.462 10 5 EGBERN Cc1ccnc(NCCc2cccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000292964886 308084802 /nfs/dbraw/zinc/08/48/02/308084802.db2.gz GVMYKYFVFKLFSL-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000294577499 308234123 /nfs/dbraw/zinc/23/41/23/308234123.db2.gz KMUYRMCQKASGMF-CQSZACIVSA-N 0 0 336.432 3.310 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC3(CCC(O)CC3)CC2)c(Cl)c1 ZINC000295027771 308283181 /nfs/dbraw/zinc/28/31/81/308283181.db2.gz VQDRDXHEGCCMDA-UHFFFAOYSA-N 0 0 325.796 3.165 10 5 EGBERN COc1cc(N2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])cc1F ZINC000295032605 308283839 /nfs/dbraw/zinc/28/38/39/308283839.db2.gz WCSWSCMNWJOABV-UHFFFAOYSA-N 0 0 338.379 3.264 10 5 EGBERN CCOC(=O)C1CCC(Sc2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000295070026 308287592 /nfs/dbraw/zinc/28/75/92/308287592.db2.gz WFRPJIKOMILSIW-UHFFFAOYSA-N 0 0 341.433 3.105 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000295596036 308341976 /nfs/dbraw/zinc/34/19/76/308341976.db2.gz ORAZVLKQEGGLLS-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000295620018 308343996 /nfs/dbraw/zinc/34/39/96/308343996.db2.gz OWPXSEYKVCYCRQ-STQMWFEESA-N 0 0 344.342 3.276 10 5 EGBERN C[C@H](c1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1)C(F)(F)F ZINC000295887343 308371177 /nfs/dbraw/zinc/37/11/77/308371177.db2.gz DHRYANFRWIZIRN-SNVBAGLBSA-N 0 0 326.274 3.471 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296274335 308410799 /nfs/dbraw/zinc/41/07/99/308410799.db2.gz MKWZFKABLXPSBU-JQWIXIFHSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000296986739 308487054 /nfs/dbraw/zinc/48/70/54/308487054.db2.gz QWJSSHZNYCPIJC-HTQZYQBOSA-N 0 0 349.284 3.119 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000298828468 308642830 /nfs/dbraw/zinc/64/28/30/308642830.db2.gz UNPSOKJVUHFANG-MRXNPFEDSA-N 0 0 340.379 3.037 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2C1 ZINC000298828467 308642875 /nfs/dbraw/zinc/64/28/75/308642875.db2.gz UNPSOKJVUHFANG-INIZCTEOSA-N 0 0 340.379 3.037 10 5 EGBERN CC(C)(C(=O)NCc1cnc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000298883667 308646873 /nfs/dbraw/zinc/64/68/73/308646873.db2.gz HUCRLPHOWUWVRO-UHFFFAOYSA-N 0 0 339.804 3.299 10 5 EGBERN CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299637507 308682627 /nfs/dbraw/zinc/68/26/27/308682627.db2.gz MSCQELUSOQWRIQ-UHFFFAOYSA-N 0 0 328.368 3.370 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCSc3ccccc3)cc2N1 ZINC000301117572 308688784 /nfs/dbraw/zinc/68/87/84/308688784.db2.gz YJLSGQMLQJVZIV-UHFFFAOYSA-N 0 0 345.380 3.130 10 5 EGBERN CS(=O)(=O)c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301255721 308693727 /nfs/dbraw/zinc/69/37/27/308693727.db2.gz NRSHUGAQIJZKBS-UKRRQHHQSA-N 0 0 346.408 3.214 10 5 EGBERN Cc1cc(N[C@@H](CO)CC(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301264130 308693992 /nfs/dbraw/zinc/69/39/92/308693992.db2.gz VRTWTDPSZUJZJW-CQSZACIVSA-N 0 0 330.388 3.179 10 5 EGBERN Cc1csc(CN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n1 ZINC000301307048 308695947 /nfs/dbraw/zinc/69/59/47/308695947.db2.gz ZOPDENUWJHJAHO-UHFFFAOYSA-N 0 0 348.428 3.134 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000301485532 308702055 /nfs/dbraw/zinc/70/20/55/308702055.db2.gz HEWDGXHCIOSPSZ-NSHDSACASA-N 0 0 333.413 3.083 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000301488846 308702332 /nfs/dbraw/zinc/70/23/32/308702332.db2.gz JYWLJKXYLYJKLP-NSHDSACASA-N 0 0 333.413 3.083 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(CCO)CCCCC2)c1 ZINC000301566614 308705545 /nfs/dbraw/zinc/70/55/45/308705545.db2.gz MFTGOKVSRLVMNX-UHFFFAOYSA-N 0 0 326.368 3.487 10 5 EGBERN Cc1cc(F)ccc1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301583914 308706191 /nfs/dbraw/zinc/70/61/91/308706191.db2.gz VFDWPVOYLBNXSR-UHFFFAOYSA-N 0 0 345.330 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000301589787 308706381 /nfs/dbraw/zinc/70/63/81/308706381.db2.gz SQUJKFDJANQWPY-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301643541 308708782 /nfs/dbraw/zinc/70/87/82/308708782.db2.gz ZUYIXCJMWDDUDM-SNVBAGLBSA-N 0 0 332.385 3.077 10 5 EGBERN Cc1cccc(C)c1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301701856 308711604 /nfs/dbraw/zinc/71/16/04/308711604.db2.gz GGAOJQHCPQYSKI-UHFFFAOYSA-N 0 0 341.367 3.197 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000301807501 308716188 /nfs/dbraw/zinc/71/61/88/308716188.db2.gz YTUAZRGSMLAQJL-NXEZZACHSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1ccc(CSCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301943033 308722532 /nfs/dbraw/zinc/72/25/32/308722532.db2.gz VWFSXIPPHZCYBE-UHFFFAOYSA-N 0 0 343.412 3.291 10 5 EGBERN C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](c2ccco2)C1 ZINC000302075923 308728225 /nfs/dbraw/zinc/72/82/25/308728225.db2.gz XYONXSBFPISUNH-VXGBXAGGSA-N 0 0 327.344 3.208 10 5 EGBERN COc1ccc([C@@H]2C[C@H](C)N(c3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302080355 308728410 /nfs/dbraw/zinc/72/84/10/308728410.db2.gz ZZNFVFOGTRKARB-XJKSGUPXSA-N 0 0 342.395 3.478 10 5 EGBERN CCOc1cccc(N[C@@H](C)Cc2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000302179817 308732309 /nfs/dbraw/zinc/73/23/09/308732309.db2.gz XWHJHLKCYDWGPG-NSHDSACASA-N 0 0 332.404 3.387 10 5 EGBERN CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000302203876 308733215 /nfs/dbraw/zinc/73/32/15/308733215.db2.gz URHKKKKTIBIZFB-INIZCTEOSA-N 0 0 344.346 3.034 10 5 EGBERN CCC1(CC)CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[S@]1=O ZINC000302231349 308734506 /nfs/dbraw/zinc/73/45/06/308734506.db2.gz XLPCZJCUKFDKLM-JOCHJYFZSA-N 0 0 332.372 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Cl)c1 ZINC000302386132 308736659 /nfs/dbraw/zinc/73/66/59/308736659.db2.gz HOJHSNSICVWBSA-UHFFFAOYSA-N 0 0 347.806 3.175 10 5 EGBERN CCNc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000330394678 308794859 /nfs/dbraw/zinc/79/48/59/308794859.db2.gz DCYIINCKYQYTKJ-LBPRGKRZSA-N 0 0 327.331 3.286 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000410508317 308917831 /nfs/dbraw/zinc/91/78/31/308917831.db2.gz KINGKZBERCVVQV-JTQLQIEISA-N 0 0 348.321 3.499 10 5 EGBERN Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c(=O)[nH]1 ZINC000413037844 309012823 /nfs/dbraw/zinc/01/28/23/309012823.db2.gz QSRDUHARSDCAFG-UHFFFAOYSA-N 0 0 342.277 3.338 10 5 EGBERN CCC1(CC)CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000413244704 309023384 /nfs/dbraw/zinc/02/33/84/309023384.db2.gz ZSQMQPBOBAEROY-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN C[C@H](CCCc1cccnc1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000413391630 309030119 /nfs/dbraw/zinc/03/01/19/309030119.db2.gz GZABNXJPBAAURN-GFCCVEGCSA-N 0 0 325.372 3.111 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000413412352 309030954 /nfs/dbraw/zinc/03/09/54/309030954.db2.gz FMLJHUUGTFYBRF-LSDHHAIUSA-N 0 0 337.383 3.410 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)n1 ZINC000413420802 309031342 /nfs/dbraw/zinc/03/13/42/309031342.db2.gz JOQZMVFWFBYBJS-SMDDNHRTSA-N 0 0 349.412 3.353 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000413461043 309032979 /nfs/dbraw/zinc/03/29/79/309032979.db2.gz VCNZIHPREYSQMP-UHFFFAOYSA-N 0 0 347.758 3.258 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@H](C2CCC2)C1 ZINC000413478547 309033758 /nfs/dbraw/zinc/03/37/58/309033758.db2.gz PFUGRQXIFPWJPZ-KRWDZBQOSA-N 0 0 343.383 3.157 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)C ZINC000413494844 309034430 /nfs/dbraw/zinc/03/44/30/309034430.db2.gz OMZSZJFYYIFNDU-ZDUSSCGKSA-N 0 0 338.404 3.268 10 5 EGBERN C[C@@H]1C[C@H]1N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000415909716 309147761 /nfs/dbraw/zinc/14/77/61/309147761.db2.gz XXMQQNJYZUNHMC-CZUORRHYSA-N 0 0 326.352 3.415 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccncc1 ZINC000416406907 309171165 /nfs/dbraw/zinc/17/11/65/309171165.db2.gz HFBAHGFAGXYWKC-CQSZACIVSA-N 0 0 349.412 3.036 10 5 EGBERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416622978 309175325 /nfs/dbraw/zinc/17/53/25/309175325.db2.gz XDVTZERATPZTGS-SECBINFHSA-N 0 0 332.809 3.057 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000416635871 309175601 /nfs/dbraw/zinc/17/56/01/309175601.db2.gz QJSBHIOJCQJDEK-UHFFFAOYSA-N 0 0 326.418 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000417009822 309189570 /nfs/dbraw/zinc/18/95/70/309189570.db2.gz YKLZNFFSSVSGMR-INIZCTEOSA-N 0 0 333.388 3.244 10 5 EGBERN COc1cc(CSCc2cc(=O)[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000419585554 309270006 /nfs/dbraw/zinc/27/00/06/309270006.db2.gz KQLULJGELCSUSU-UHFFFAOYSA-N 0 0 347.396 3.410 10 5 EGBERN CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000420609532 309290005 /nfs/dbraw/zinc/29/00/05/309290005.db2.gz HQJYDBONKZBSBH-LLVKDONJSA-N 0 0 345.321 3.109 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000421036099 309309577 /nfs/dbraw/zinc/30/95/77/309309577.db2.gz FAMUYIPNMDONNF-ONGXEEELSA-N 0 0 327.768 3.327 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@]34CCOC4)cs2)c1 ZINC000421399973 309323114 /nfs/dbraw/zinc/32/31/14/309323114.db2.gz JBHOOGSAKGXSAF-MRXNPFEDSA-N 0 0 331.397 3.083 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1[C@@H](C)C1CC1 ZINC000421501439 309327327 /nfs/dbraw/zinc/32/73/27/309327327.db2.gz DFEMFGTUIQVUNE-ZDUSSCGKSA-N 0 0 342.399 3.362 10 5 EGBERN C[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccnn1C ZINC000421538915 309328942 /nfs/dbraw/zinc/32/89/42/309328942.db2.gz HMQDCMGNSZZQHV-NSHDSACASA-N 0 0 330.388 3.368 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000421783918 309339924 /nfs/dbraw/zinc/33/99/24/309339924.db2.gz GWEOVQSBUUXTBC-MRXNPFEDSA-N 0 0 346.408 3.487 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000422228738 309358601 /nfs/dbraw/zinc/35/86/01/309358601.db2.gz ATGSBYOBPXXZPE-OLZOCXBDSA-N 0 0 335.404 3.087 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000424101253 309429444 /nfs/dbraw/zinc/42/94/44/309429444.db2.gz JINNDGMHXOZXJC-HSZRJFAPSA-N 0 0 335.381 3.228 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000424971594 309460612 /nfs/dbraw/zinc/46/06/12/309460612.db2.gz RSRSRBAIUGSUHA-WDEREUQCSA-N 0 0 326.299 3.115 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H](F)C2)c(C)c([N+](=O)[O-])c1 ZINC000425560282 309486174 /nfs/dbraw/zinc/48/61/74/309486174.db2.gz JGLXULYOWNGCPJ-CMPLNLGQSA-N 0 0 338.335 3.157 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC ZINC000425606705 309487688 /nfs/dbraw/zinc/48/76/88/309487688.db2.gz IYNGZVLSMUHOMA-CQSZACIVSA-N 0 0 335.360 3.066 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cc(OC)ccn1 ZINC000425617249 309488146 /nfs/dbraw/zinc/48/81/46/309488146.db2.gz HIFLRJWNTMZIQP-CQSZACIVSA-N 0 0 343.383 3.230 10 5 EGBERN O=C([O-])[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000426711344 309513366 /nfs/dbraw/zinc/51/33/66/309513366.db2.gz ZQVSUWBMLGVARP-AWEZNQCLSA-N 0 0 348.786 3.281 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427106138 309522469 /nfs/dbraw/zinc/52/24/69/309522469.db2.gz COJFTMUSAFINSQ-UHFFFAOYSA-N 0 0 344.323 3.032 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000427339578 309527016 /nfs/dbraw/zinc/52/70/16/309527016.db2.gz WEYABTCGGZHGSX-CABCVRRESA-N 0 0 342.399 3.267 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C3CCC3)cc2)n1 ZINC000427586644 309531642 /nfs/dbraw/zinc/53/16/42/309531642.db2.gz FHSVBFZJXHPGBZ-UHFFFAOYSA-N 0 0 328.372 3.009 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCOc1ccnc(C(F)(F)F)c1 ZINC000429322314 309578440 /nfs/dbraw/zinc/57/84/40/309578440.db2.gz KBLRMAWQHLYZJX-UHFFFAOYSA-N 0 0 328.246 3.466 10 5 EGBERN COc1ccc(OC)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430217217 309601866 /nfs/dbraw/zinc/60/18/66/309601866.db2.gz JDYUJMGKCOLFLI-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000430786057 309617739 /nfs/dbraw/zinc/61/77/39/309617739.db2.gz NGZPCGYUFPZSTL-SCLBCKFNSA-N 0 0 332.400 3.321 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c1C ZINC000432325247 309657404 /nfs/dbraw/zinc/65/74/04/309657404.db2.gz JJXOHOULISVUFW-LBPRGKRZSA-N 0 0 338.429 3.165 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000435987255 309744348 /nfs/dbraw/zinc/74/43/48/309744348.db2.gz UQAYZBPGLQTBGY-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435999058 309744485 /nfs/dbraw/zinc/74/44/85/309744485.db2.gz HKOITWQBLBYSDC-LBPRGKRZSA-N 0 0 340.383 3.034 10 5 EGBERN CN(C)c1ccc(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000436270145 309751239 /nfs/dbraw/zinc/75/12/39/309751239.db2.gz MXSRPYGDJYWWIW-UHFFFAOYSA-N 0 0 327.266 3.213 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438143921 309807961 /nfs/dbraw/zinc/80/79/61/309807961.db2.gz QMSDISNAAWWIOX-WTOJCKNJSA-N 0 0 340.379 3.207 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000438883534 309821846 /nfs/dbraw/zinc/82/18/46/309821846.db2.gz NCAFTTDWWGPRKO-UHFFFAOYSA-N 0 0 347.298 3.172 10 5 EGBERN C[C@H](NC(=O)c1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000441705158 309875888 /nfs/dbraw/zinc/87/58/88/309875888.db2.gz RLNGJZKCUXFSDV-LBPRGKRZSA-N 0 0 325.368 3.360 10 5 EGBERN C[C@@H]1CCCC[C@H]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774760 309907977 /nfs/dbraw/zinc/90/79/77/309907977.db2.gz SIMAMTFGXYSCBP-HIFRSBDPSA-N 0 0 340.445 3.231 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000446488740 309962698 /nfs/dbraw/zinc/96/26/98/309962698.db2.gz QCYGCKBHYGQULX-ZIAGYGMSSA-N 0 0 333.388 3.184 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000446614374 309964794 /nfs/dbraw/zinc/96/47/94/309964794.db2.gz ZPQZWTFHIGWVQU-KXUCPTDWSA-N 0 0 346.305 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@H](C4CC4)C3)n2)cc1 ZINC000448966185 310026228 /nfs/dbraw/zinc/02/62/28/310026228.db2.gz KRCKQMUFZNPENU-HNNXBMFYSA-N 0 0 331.397 3.334 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(Cc3cc4cccnc4o3)CC2)c1 ZINC000449015738 310029170 /nfs/dbraw/zinc/02/91/70/310029170.db2.gz MCEUFCVDIJGWKM-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN Cc1nc(CNCc2ccccc2[N+](=O)[O-])sc1Br ZINC000449403048 310059181 /nfs/dbraw/zinc/05/91/81/310059181.db2.gz UVHITFKDJCNFQN-UHFFFAOYSA-N 0 0 342.218 3.412 10 5 EGBERN CCc1ncc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000449608643 310075178 /nfs/dbraw/zinc/07/51/78/310075178.db2.gz JCDQBJPSLSAZFS-UHFFFAOYSA-N 0 0 327.287 3.036 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000450051163 310100828 /nfs/dbraw/zinc/10/08/28/310100828.db2.gz HZNUIDAZJXEYRQ-IUODEOHRSA-N 0 0 329.356 3.025 10 5 EGBERN COCCN(Cc1ccc(C)o1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450382600 310119480 /nfs/dbraw/zinc/11/94/80/310119480.db2.gz XRSLILRVWSUDCL-UHFFFAOYSA-N 0 0 330.344 3.026 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000450383954 310119506 /nfs/dbraw/zinc/11/95/06/310119506.db2.gz AISWYGJMODXPDR-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN COc1cccc(CN(C[C@@H]2CCCO2)c2ccc([N+](=O)[O-])nc2)c1 ZINC000450399770 310120323 /nfs/dbraw/zinc/12/03/23/310120323.db2.gz AXSJDDYHKFEISR-KRWDZBQOSA-N 0 0 343.383 3.184 10 5 EGBERN O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000450429071 310121980 /nfs/dbraw/zinc/12/19/80/310121980.db2.gz YMDMPMYELWHWDU-AWEZNQCLSA-N 0 0 329.331 3.371 10 5 EGBERN Cc1ccncc1N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450495920 310126387 /nfs/dbraw/zinc/12/63/87/310126387.db2.gz CAYXTCUXJUTBPC-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN COc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000450523295 310128135 /nfs/dbraw/zinc/12/81/35/310128135.db2.gz FVARLMQREQQQKX-APPDUMDISA-N 0 0 336.363 3.395 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(CCC(O)CC2)CC1 ZINC000450577248 310131139 /nfs/dbraw/zinc/13/11/39/310131139.db2.gz SOJZYWNBQJXZCE-UHFFFAOYSA-N 0 0 332.400 3.319 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCOC3(CCC3)C2)c1 ZINC000450717928 310139100 /nfs/dbraw/zinc/13/91/00/310139100.db2.gz MECBNUKRGICVKL-LBPRGKRZSA-N 0 0 334.372 3.143 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)nc2sccn21 ZINC000450796442 310142831 /nfs/dbraw/zinc/14/28/31/310142831.db2.gz QNEDAXGVUTTZRV-VXGBXAGGSA-N 0 0 345.384 3.031 10 5 EGBERN Cc1c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271621 310169011 /nfs/dbraw/zinc/16/90/11/310169011.db2.gz VFQULMBQYVGANM-HKUYNNGSSA-N 0 0 344.386 3.203 10 5 EGBERN CC[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(F)(F)F ZINC000451295108 310170076 /nfs/dbraw/zinc/17/00/76/310170076.db2.gz CYDOVIGMDLUKMI-LBPRGKRZSA-N 0 0 342.277 3.056 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2C(F)F)c([N+](=O)[O-])cc1F ZINC000451683594 310192456 /nfs/dbraw/zinc/19/24/56/310192456.db2.gz VIMBJUJQKARJFR-SNVBAGLBSA-N 0 0 332.278 3.002 10 5 EGBERN CCC[C@@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000451756018 310195942 /nfs/dbraw/zinc/19/59/42/310195942.db2.gz FTPOXPWZTBYVJV-LLVKDONJSA-N 0 0 331.166 3.111 10 5 EGBERN CCC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000451892826 310202175 /nfs/dbraw/zinc/20/21/75/310202175.db2.gz RJTDNEKXWPUABF-UHFFFAOYSA-N 0 0 326.418 3.127 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451974936 310206161 /nfs/dbraw/zinc/20/61/61/310206161.db2.gz JUMSUORTXRXDGZ-OAHLLOKOSA-N 0 0 348.380 3.104 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000452183319 310217368 /nfs/dbraw/zinc/21/73/68/310217368.db2.gz OHDUYRIEPBFHOA-QWHCGFSZSA-N 0 0 344.367 3.248 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC2CCOCC2)c1 ZINC000452210236 310218861 /nfs/dbraw/zinc/21/88/61/310218861.db2.gz VGCQVCQKZAXPLH-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000452585592 310233332 /nfs/dbraw/zinc/23/33/32/310233332.db2.gz JSDISCPJTADSML-DJIMGWMZSA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@]12CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452592418 310233629 /nfs/dbraw/zinc/23/36/29/310233629.db2.gz DNENBWJSQPLAHT-COJSNBRMSA-N 0 0 344.436 3.358 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452643114 310235524 /nfs/dbraw/zinc/23/55/24/310235524.db2.gz JEHGOOCDQCZKRQ-JQWIXIFHSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1c(CC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452811297 310243031 /nfs/dbraw/zinc/24/30/31/310243031.db2.gz DJIDUZHORYWVHB-PBHICJAKSA-N 0 0 334.416 3.013 10 5 EGBERN CC(C)OCCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453241297 310266266 /nfs/dbraw/zinc/26/62/66/310266266.db2.gz UHEGJZGAACDGSC-UHFFFAOYSA-N 0 0 346.387 3.361 10 5 EGBERN COC[C@H](C)[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242123 310266371 /nfs/dbraw/zinc/26/63/71/310266371.db2.gz VIVVWLXUJNXHPH-WDEREUQCSA-N 0 0 346.387 3.389 10 5 EGBERN COc1cccc2c1[C@H](c1nc(-c3ccc([N+](=O)[O-])o3)no1)CC2 ZINC000453264126 310267896 /nfs/dbraw/zinc/26/78/96/310267896.db2.gz VUNALPIQQGAQNC-SNVBAGLBSA-N 0 0 327.296 3.325 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000454293302 310301821 /nfs/dbraw/zinc/30/18/21/310301821.db2.gz BBYZSCKZIRUGRL-ARFHVFGLSA-N 0 0 333.388 3.142 10 5 EGBERN C[C@H](NC(=O)NCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000454352552 310304997 /nfs/dbraw/zinc/30/49/97/310304997.db2.gz AWSLDGZWXQXAQD-ZDUSSCGKSA-N 0 0 335.404 3.162 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](COC)CC1 ZINC000455462096 310361756 /nfs/dbraw/zinc/36/17/56/310361756.db2.gz KDQFUKAJXRBESS-CYBMUJFWSA-N 0 0 335.404 3.438 10 5 EGBERN COCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000456869349 310426630 /nfs/dbraw/zinc/42/66/30/310426630.db2.gz MRTXDNDTJRYLFN-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000465621643 310635089 /nfs/dbraw/zinc/63/50/89/310635089.db2.gz AXRPASYKOXXYQT-SJORKVTESA-N 0 0 346.431 3.275 10 5 EGBERN CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000468583994 310690902 /nfs/dbraw/zinc/69/09/02/310690902.db2.gz HCSMGDJYPZKYLP-AWEZNQCLSA-N 0 0 342.399 3.016 10 5 EGBERN COc1c(C(=O)N(C)CCOc2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000474416771 310793207 /nfs/dbraw/zinc/79/32/07/310793207.db2.gz TVGHENOTIQIELA-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN Cc1c(CNC(=O)N(C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480062782 310888911 /nfs/dbraw/zinc/88/89/11/310888911.db2.gz ALYYAXGVMKTMCJ-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN Cc1[nH]nc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1[N+](=O)[O-] ZINC000484935613 310971707 /nfs/dbraw/zinc/97/17/07/310971707.db2.gz LFYKPFZUIVHNBO-UHFFFAOYSA-N 0 0 348.362 3.496 10 5 EGBERN CCCC(C)(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000485766563 310981886 /nfs/dbraw/zinc/98/18/86/310981886.db2.gz MHZLCBCMBQQELD-UHFFFAOYSA-N 0 0 333.432 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000486006621 310986244 /nfs/dbraw/zinc/98/62/44/310986244.db2.gz RGPZANAMCRJCAM-INIZCTEOSA-N 0 0 325.368 3.272 10 5 EGBERN O=[N+]([O-])c1c(N2CCc3ccc(F)c(F)c3C2)nc2sccn21 ZINC000486921991 311002094 /nfs/dbraw/zinc/00/20/94/311002094.db2.gz UDNIMWLJUMWJHJ-UHFFFAOYSA-N 0 0 336.323 3.145 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000487140671 311012242 /nfs/dbraw/zinc/01/22/42/311012242.db2.gz GGCWCMRPGPUZQY-KYOSRNDESA-N 0 0 347.415 3.193 10 5 EGBERN CC(C)Oc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000488053769 311049303 /nfs/dbraw/zinc/04/93/03/311049303.db2.gz UKGDYXGCEKZSQG-UHFFFAOYSA-N 0 0 338.367 3.359 10 5 EGBERN CC(C)n1cc(COc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000488261372 311058491 /nfs/dbraw/zinc/05/84/91/311058491.db2.gz IHFKZSBNNHBNIS-UHFFFAOYSA-N 0 0 341.165 3.109 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000488944566 311085913 /nfs/dbraw/zinc/08/59/13/311085913.db2.gz MMTFIBCYSQDQLM-LLVKDONJSA-N 0 0 327.331 3.091 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000488993809 311088456 /nfs/dbraw/zinc/08/84/56/311088456.db2.gz OVAPGOSBDXORDZ-CYBMUJFWSA-N 0 0 341.358 3.481 10 5 EGBERN CCOc1ccc(NC(=O)C[N@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000490109967 311133514 /nfs/dbraw/zinc/13/35/14/311133514.db2.gz YDFHRHGRGDANKV-UHFFFAOYSA-N 0 0 335.404 3.197 10 5 EGBERN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(O)cc1 ZINC000493382390 311368408 /nfs/dbraw/zinc/36/84/08/311368408.db2.gz IFNAXVFXIGZPHN-INIZCTEOSA-N 0 0 330.340 3.243 10 5 EGBERN C[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504300130 312003399 /nfs/dbraw/zinc/00/33/99/312003399.db2.gz UPJGVGWCCBUIJH-RYUDHWBXSA-N 0 0 344.342 3.479 10 5 EGBERN Cc1ccccc1-c1noc(=O)n1Cc1cccc([N+](=O)[O-])c1C ZINC000506732769 312053796 /nfs/dbraw/zinc/05/37/96/312053796.db2.gz QLFAKUSMJZRZPF-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN CN(CC1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000507957131 312086230 /nfs/dbraw/zinc/08/62/30/312086230.db2.gz UEWALRMVZWNSCA-UHFFFAOYSA-N 0 0 329.404 3.407 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H](C)C2 ZINC000508195524 312090430 /nfs/dbraw/zinc/09/04/30/312090430.db2.gz UKRBJFVITVUOGZ-ABAIWWIYSA-N 0 0 342.399 3.413 10 5 EGBERN CCOC(=O)c1cc(N[C@H](CO)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000509526686 312119812 /nfs/dbraw/zinc/11/98/12/312119812.db2.gz LNMQFDZJAYQAKM-AWEZNQCLSA-N 0 0 336.388 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000511623476 312164699 /nfs/dbraw/zinc/16/46/99/312164699.db2.gz AEPZBVADDTVBFT-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000512143608 312176932 /nfs/dbraw/zinc/17/69/32/312176932.db2.gz BKHCWCCUYMSEEQ-SNVBAGLBSA-N 0 0 332.809 3.201 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000514702307 312239584 /nfs/dbraw/zinc/23/95/84/312239584.db2.gz COHXHQPQLYAZNT-CQSZACIVSA-N 0 0 335.363 3.363 10 5 EGBERN CCc1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000516693204 312337717 /nfs/dbraw/zinc/33/77/17/312337717.db2.gz KLKYKAGKAWWNJE-OAHLLOKOSA-N 0 0 344.342 3.030 10 5 EGBERN C[C@H]1C[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519737357 312474443 /nfs/dbraw/zinc/47/44/43/312474443.db2.gz GNRIJYCNYYHCGR-RYUDHWBXSA-N 0 0 330.388 3.059 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000520414034 312504803 /nfs/dbraw/zinc/50/48/03/312504803.db2.gz FVXOCCJOQHJOLZ-IWNGFBJFSA-N 0 0 348.447 3.129 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000524708183 312673160 /nfs/dbraw/zinc/67/31/60/312673160.db2.gz CWGWAGFRLQNHLF-SMDDNHRTSA-N 0 0 331.372 3.448 10 5 EGBERN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882716 313726321 /nfs/dbraw/zinc/72/63/21/313726321.db2.gz FLLALVMMCFABTL-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN CC(C)CCC[C@H](C)NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248715 314034102 /nfs/dbraw/zinc/03/41/02/314034102.db2.gz YIKLESIYJJXZHH-HNNXBMFYSA-N 0 0 347.459 3.284 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000535433341 314046521 /nfs/dbraw/zinc/04/65/21/314046521.db2.gz IWEUDWGMQQHAJG-UHFFFAOYSA-N 0 0 347.321 3.188 10 5 EGBERN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000539376821 314309326 /nfs/dbraw/zinc/30/93/26/314309326.db2.gz JXBQGHAFHMTXML-NSHDSACASA-N 0 0 332.356 3.442 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCO[C@@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000540038670 314359557 /nfs/dbraw/zinc/35/95/57/314359557.db2.gz KGNHAWMVMVWYMJ-SWLSCSKDSA-N 0 0 336.388 3.305 10 5 EGBERN COc1ccc(CC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000541940726 314507141 /nfs/dbraw/zinc/50/71/41/314507141.db2.gz YHLUBIAJDZBAGF-SCLBCKFNSA-N 0 0 332.400 3.185 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000542043564 314514530 /nfs/dbraw/zinc/51/45/30/314514530.db2.gz KCNOYKKNQJBTID-LRDDRELGSA-N 0 0 336.388 3.125 10 5 EGBERN COC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1C)n2C ZINC000542505502 314552158 /nfs/dbraw/zinc/55/21/58/314552158.db2.gz DGQLBVRRSJQSAU-UHFFFAOYSA-N 0 0 325.324 3.244 10 5 EGBERN Cc1nc(C(C)C)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000547762333 314935502 /nfs/dbraw/zinc/93/55/02/314935502.db2.gz LTBNUNGYNNDUFK-UHFFFAOYSA-N 0 0 333.413 3.456 10 5 EGBERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC000548747770 315042723 /nfs/dbraw/zinc/04/27/23/315042723.db2.gz AVHZNJRSMFNADQ-ZWNOBZJWSA-N 0 0 332.360 3.087 10 5 EGBERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548773261 315045293 /nfs/dbraw/zinc/04/52/93/315045293.db2.gz HSFJDASQMUKYFX-OAHLLOKOSA-N 0 0 343.387 3.087 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(F)(F)F ZINC000548873231 315057045 /nfs/dbraw/zinc/05/70/45/315057045.db2.gz NKVWDNRJHOHIRB-UHFFFAOYSA-N 0 0 331.294 3.480 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](OC(F)F)C1 ZINC000548987996 315067418 /nfs/dbraw/zinc/06/74/18/315067418.db2.gz NATORQANVNAJQZ-QMMMGPOBSA-N 0 0 326.221 3.432 10 5 EGBERN CC[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)C1 ZINC000549079275 315073938 /nfs/dbraw/zinc/07/39/38/315073938.db2.gz GJIXKUVEZNIRRP-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN CCOC(=O)[C@H](C)N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000551191955 315144928 /nfs/dbraw/zinc/14/49/28/315144928.db2.gz KOPSGEJFKAUSII-LBPRGKRZSA-N 0 0 329.356 3.045 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000553048317 315242639 /nfs/dbraw/zinc/24/26/39/315242639.db2.gz HPVDOMOCGFFKJS-AWEZNQCLSA-N 0 0 345.399 3.497 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC1(F)CCC1 ZINC000553600283 315272623 /nfs/dbraw/zinc/27/26/23/315272623.db2.gz PRWRAANJWGQFHY-UHFFFAOYSA-N 0 0 337.395 3.499 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000554491070 315322897 /nfs/dbraw/zinc/32/28/97/315322897.db2.gz DTDMRPVCPQKLEV-LBPRGKRZSA-N 0 0 333.775 3.216 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2cccnc2C1 ZINC000556086293 315414758 /nfs/dbraw/zinc/41/47/58/315414758.db2.gz BYMUYNBHUBMQAD-NSHDSACASA-N 0 0 337.339 3.117 10 5 EGBERN C[C@@H]1[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000562390077 315827361 /nfs/dbraw/zinc/82/73/61/315827361.db2.gz XEUPCSKQTFIUDK-VHSSKADRSA-N 0 0 340.379 3.140 10 5 EGBERN C[C@H]1CCn2ncc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000563164827 315967640 /nfs/dbraw/zinc/96/76/40/315967640.db2.gz HCPGBDBVXFETQT-LBPRGKRZSA-N 0 0 342.399 3.039 10 5 EGBERN C[C@H](C(=O)N[C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000564720708 316194131 /nfs/dbraw/zinc/19/41/31/316194131.db2.gz GZFKLMJBZSAJFU-YVEFUNNKSA-N 0 0 325.368 3.361 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000565228372 316295468 /nfs/dbraw/zinc/29/54/68/316295468.db2.gz FBGUBJPQSNWUEE-ZDUSSCGKSA-N 0 0 336.388 3.162 10 5 EGBERN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000565530915 316336398 /nfs/dbraw/zinc/33/63/98/316336398.db2.gz ACZZFGUJIMXVTB-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN Cc1ccc(-c2noc(-c3cnn4c3C[C@@H](C)CC4)n2)cc1[N+](=O)[O-] ZINC000567351773 316604642 /nfs/dbraw/zinc/60/46/42/316604642.db2.gz ARZCWWIFOHHUOI-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000568695060 316808171 /nfs/dbraw/zinc/80/81/71/316808171.db2.gz KRRMNPXOGPNADH-STQMWFEESA-N 0 0 344.415 3.449 10 5 EGBERN Cc1cc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000570465247 317059996 /nfs/dbraw/zinc/05/99/96/317059996.db2.gz SHXOQWOUBHIUQE-CQSZACIVSA-N 0 0 342.395 3.380 10 5 EGBERN O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571834221 317253919 /nfs/dbraw/zinc/25/39/19/317253919.db2.gz FKIYFSNXVYIQNU-MNOVXSKESA-N 0 0 328.290 3.463 10 5 EGBERN CCc1nc(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])cs1 ZINC000301616116 456163486 /nfs/dbraw/zinc/16/34/86/456163486.db2.gz JNISAXOFAQNQDY-UHFFFAOYSA-N 0 0 325.365 3.416 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708903 323247593 /nfs/dbraw/zinc/24/75/93/323247593.db2.gz YSBFVFKXASWQTC-OAHLLOKOSA-N 0 0 335.404 3.086 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184558193 323664247 /nfs/dbraw/zinc/66/42/47/323664247.db2.gz SQUDZAONGSKQLU-AWEZNQCLSA-N 0 0 326.418 3.079 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000353177867 456542190 /nfs/dbraw/zinc/54/21/90/456542190.db2.gz YVNNUDKWCOGHHC-MRVPVSSYSA-N 0 0 332.809 3.024 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000350612779 324107683 /nfs/dbraw/zinc/10/76/83/324107683.db2.gz URMOTTTZGYGDQL-RISCZKNCSA-N 0 0 342.355 3.121 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN3c3nccs3)n2)o1 ZINC000351141593 324179473 /nfs/dbraw/zinc/17/94/73/324179473.db2.gz CVTACLQQBYLAQB-QMMMGPOBSA-N 0 0 333.329 3.036 10 5 EGBERN Cc1nc(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000576699192 324665952 /nfs/dbraw/zinc/66/59/52/324665952.db2.gz JYPGLTMKYSYBDP-DGCLKSJQSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc(NCCC2(F)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000577317965 324783463 /nfs/dbraw/zinc/78/34/63/324783463.db2.gz RAPQQEWUUMZDCE-UHFFFAOYSA-N 0 0 330.363 3.476 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580142688 325206911 /nfs/dbraw/zinc/20/69/11/325206911.db2.gz FTSYONWLKFGZSN-LBPRGKRZSA-N 0 0 326.352 3.296 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000580450755 325252784 /nfs/dbraw/zinc/25/27/84/325252784.db2.gz QHBKHGKUEJINTB-CYBMUJFWSA-N 0 0 341.367 3.314 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](CO)Cc2ccc(F)cc2)ccc2ncccc21 ZINC000581002489 325319675 /nfs/dbraw/zinc/31/96/75/325319675.db2.gz DOQJPUFFYFYICH-CQSZACIVSA-N 0 0 341.342 3.298 10 5 EGBERN CS(=O)(=O)c1ccc(Oc2cccc3c2CCC3)c([N+](=O)[O-])c1 ZINC000582484894 325445507 /nfs/dbraw/zinc/44/55/07/325445507.db2.gz YNXFWGLATUFVJH-UHFFFAOYSA-N 0 0 333.365 3.279 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189653799 455227955 /nfs/dbraw/zinc/22/79/55/455227955.db2.gz IEVHKGUDUPVUQC-GOEBONIOSA-N 0 0 334.416 3.237 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189725335 455235463 /nfs/dbraw/zinc/23/54/63/455235463.db2.gz JAULHOSAFPJASM-RYUDHWBXSA-N 0 0 344.371 3.120 10 5 EGBERN CO[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000189850851 455246489 /nfs/dbraw/zinc/24/64/89/455246489.db2.gz BMNMJKMIXNAKQY-GFCCVEGCSA-N 0 0 330.340 3.152 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000173246816 455253594 /nfs/dbraw/zinc/25/35/94/455253594.db2.gz IINRRCGFNKINRR-RDTXWAMCSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C2=N/C(=C\c3ccccc3F)C(=O)O2)c1 ZINC000000178465 452529532 /nfs/dbraw/zinc/52/95/32/452529532.db2.gz JRGKUAGMNLENPF-ZROIWOOFSA-N 0 0 326.283 3.387 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(F)cc1 ZINC000003541985 452779778 /nfs/dbraw/zinc/77/97/78/452779778.db2.gz BKMVTLDLLUMKGN-GFCCVEGCSA-N 0 0 331.347 3.193 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(F)cc1 ZINC000003541984 452779909 /nfs/dbraw/zinc/77/99/09/452779909.db2.gz BKMVTLDLLUMKGN-LBPRGKRZSA-N 0 0 331.347 3.193 10 5 EGBERN CCN(c1cc(C)nc(-n2cc([N+](=O)[O-])cn2)n1)c1ccccc1C ZINC000005251757 452852363 /nfs/dbraw/zinc/85/23/63/452852363.db2.gz DXCGSPRTZMUBJN-UHFFFAOYSA-N 0 0 338.371 3.345 10 5 EGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C)cc1 ZINC000006830801 452996412 /nfs/dbraw/zinc/99/64/12/452996412.db2.gz RMFUFFAGIBGTFL-UHFFFAOYSA-N 0 0 344.367 3.319 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1Sc1nnc(Nc2ccccc2)s1 ZINC000008376444 453199495 /nfs/dbraw/zinc/19/94/95/453199495.db2.gz DACRJKYXBZVJQB-UHFFFAOYSA-N 0 0 334.386 3.075 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000612310244 460591151 /nfs/dbraw/zinc/59/11/51/460591151.db2.gz MNGAUYYUUVVRJN-UHFFFAOYSA-N 0 0 344.795 3.301 10 5 EGBERN COc1cc(C(=O)N2CC(Cc3cccs3)C2)cc([N+](=O)[O-])c1C ZINC000600758747 460592638 /nfs/dbraw/zinc/59/26/38/460592638.db2.gz BFWZWNHRGVYOSC-UHFFFAOYSA-N 0 0 346.408 3.288 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012603210 453381992 /nfs/dbraw/zinc/38/19/92/453381992.db2.gz SBSJMTUDCCYBKV-MRXNPFEDSA-N 0 0 336.351 3.448 10 5 EGBERN C[C@H](NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000012624526 453386269 /nfs/dbraw/zinc/38/62/69/453386269.db2.gz FBYGJKJZUPDOJJ-YEZKRMTDSA-N 0 0 346.364 3.276 10 5 EGBERN Cc1ccc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600777323 460599580 /nfs/dbraw/zinc/59/95/80/460599580.db2.gz ZTQJZDAGYJKIIF-OAHLLOKOSA-N 0 0 326.352 3.239 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600803323 460609596 /nfs/dbraw/zinc/60/95/96/460609596.db2.gz GTEAJLNCNYBCEV-IBUXWKBASA-N 0 0 346.383 3.184 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600803006 460610241 /nfs/dbraw/zinc/61/02/41/460610241.db2.gz HPNNNDIHMXPQOQ-CYBMUJFWSA-N 0 0 340.383 3.091 10 5 EGBERN CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] ZINC000023986743 453720448 /nfs/dbraw/zinc/72/04/48/453720448.db2.gz WMCKORDSTBRTMB-QGZVFWFLSA-N 0 0 338.367 3.365 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347238 453797712 /nfs/dbraw/zinc/79/77/12/453797712.db2.gz GFAAIXMAZUACQG-CABCVRRESA-N 0 0 341.411 3.293 10 5 EGBERN CCOc1ccc(C(=O)NCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000052612608 453839527 /nfs/dbraw/zinc/83/95/27/453839527.db2.gz KNLWQIGJUKRYKH-UHFFFAOYSA-N 0 0 344.367 3.192 10 5 EGBERN Cc1ccccc1SCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053216559 453865601 /nfs/dbraw/zinc/86/56/01/453865601.db2.gz IEJQWFDKSSXKLZ-UHFFFAOYSA-N 0 0 330.409 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067046847 453897229 /nfs/dbraw/zinc/89/72/29/453897229.db2.gz IRTDMWMGGQZBRQ-LLVKDONJSA-N 0 0 347.396 3.080 10 5 EGBERN C[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000159551000 455384147 /nfs/dbraw/zinc/38/41/47/455384147.db2.gz SJOGXTYRZDHECD-LLVKDONJSA-N 0 0 338.429 3.130 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000054132122 453912614 /nfs/dbraw/zinc/91/26/14/453912614.db2.gz ALHAKERSHWPDBD-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN CCc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389395 453927374 /nfs/dbraw/zinc/92/73/74/453927374.db2.gz TVRZFEBDFGIHBX-CHWSQXEVSA-N 0 0 342.399 3.228 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000067515569 453937747 /nfs/dbraw/zinc/93/77/47/453937747.db2.gz QTUZFKNIUBGYPC-ROUUACIJSA-N 0 0 348.362 3.066 10 5 EGBERN C[C@@H]1c2ccsc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536276 453940245 /nfs/dbraw/zinc/94/02/45/453940245.db2.gz YFLZIZLTLRPJTM-LLVKDONJSA-N 0 0 331.397 3.485 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067556219 453942796 /nfs/dbraw/zinc/94/27/96/453942796.db2.gz SENDYTYZNNLHQQ-ZIAGYGMSSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000184501454 455391154 /nfs/dbraw/zinc/39/11/54/455391154.db2.gz CMRWSROWWURTOH-NSHDSACASA-N 0 0 347.396 3.089 10 5 EGBERN CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000055637187 454001278 /nfs/dbraw/zinc/00/12/78/454001278.db2.gz JOZIMSRMZOUUEZ-UHFFFAOYSA-N 0 0 348.380 3.071 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000055737883 454010482 /nfs/dbraw/zinc/01/04/82/454010482.db2.gz BRJGDPZFFKQJFI-INIZCTEOSA-N 0 0 346.770 3.431 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000084810933 454011881 /nfs/dbraw/zinc/01/18/81/454011881.db2.gz VWXOXQHIWZFDAF-CQSZACIVSA-N 0 0 344.371 3.084 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000085333025 454023118 /nfs/dbraw/zinc/02/31/18/454023118.db2.gz SROZNFLNTPUPLE-LBPRGKRZSA-N 0 0 339.417 3.481 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000068564406 454037305 /nfs/dbraw/zinc/03/73/05/454037305.db2.gz XNQFUCVSRNDOID-SNVBAGLBSA-N 0 0 336.779 3.021 10 5 EGBERN COC(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000043346849 454057774 /nfs/dbraw/zinc/05/77/74/454057774.db2.gz FEKRDFKTCRCLJX-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000087085028 454061493 /nfs/dbraw/zinc/06/14/93/454061493.db2.gz CPDYMKSANYLNAF-NSHDSACASA-N 0 0 346.412 3.189 10 5 EGBERN COc1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000077294791 454087179 /nfs/dbraw/zinc/08/71/79/454087179.db2.gz MBUZKVCTVIHXON-CQSZACIVSA-N 0 0 342.351 3.084 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000044485436 454103044 /nfs/dbraw/zinc/10/30/44/454103044.db2.gz DSTUXMFCAFCHHW-VIFPVBQESA-N 0 0 336.369 3.165 10 5 EGBERN Cc1ccnc(N[C@H]2CCN(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000088751179 454118363 /nfs/dbraw/zinc/11/83/63/454118363.db2.gz FCIQLQUDYDGHBA-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000069611485 454123949 /nfs/dbraw/zinc/12/39/49/454123949.db2.gz FUNULFCXICLCQQ-VIFPVBQESA-N 0 0 336.373 3.251 10 5 EGBERN CC(=O)c1ccc(NCCCc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000089265108 454131269 /nfs/dbraw/zinc/13/12/69/454131269.db2.gz HDDCYPBLQSVUKP-UHFFFAOYSA-N 0 0 330.388 3.192 10 5 EGBERN CNC(=O)c1ccc(N2CCCC[C@@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000089391818 454143279 /nfs/dbraw/zinc/14/32/79/454143279.db2.gz VYCFHIZMLCXNQN-CYBMUJFWSA-N 0 0 346.412 3.143 10 5 EGBERN Cc1cc(NCC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057826111 454149561 /nfs/dbraw/zinc/14/95/61/454149561.db2.gz VTRUSFCHHNYDQR-OAHLLOKOSA-N 0 0 328.372 3.341 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000077933864 454170451 /nfs/dbraw/zinc/17/04/51/454170451.db2.gz ZWNAOEQTTVOKAI-KGLIPLIRSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1cc(NC2CCC(O)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058201583 454170523 /nfs/dbraw/zinc/17/05/23/454170523.db2.gz IXJKGMZOELNSTQ-UHFFFAOYSA-N 0 0 328.372 3.076 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1coc(-c2ccccc2Cl)n1 ZINC000058377866 454194961 /nfs/dbraw/zinc/19/49/61/454194961.db2.gz LLSWTJFKIJLEKZ-UHFFFAOYSA-N 0 0 331.715 3.113 10 5 EGBERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000078187378 454209266 /nfs/dbraw/zinc/20/92/66/454209266.db2.gz OIDKPNJBTOELIZ-YPMHNXCESA-N 0 0 330.340 3.215 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000089828089 454210518 /nfs/dbraw/zinc/21/05/18/454210518.db2.gz HSQFIWPAJGESDP-KRWDZBQOSA-N 0 0 346.408 3.262 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000078421623 454250330 /nfs/dbraw/zinc/25/03/30/454250330.db2.gz FPKPQQWQEPMQNI-UHFFFAOYSA-N 0 0 328.368 3.411 10 5 EGBERN CCCCOCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600892855 460631939 /nfs/dbraw/zinc/63/19/39/460631939.db2.gz FCUFFFUUHNRSAX-UHFFFAOYSA-N 0 0 334.416 3.340 10 5 EGBERN CCc1cc(N[C@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060342784 454278159 /nfs/dbraw/zinc/27/81/59/454278159.db2.gz LSUNUBUIDZYOMG-JKSUJKDBSA-N 0 0 342.399 3.330 10 5 EGBERN NC(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090094282 454278337 /nfs/dbraw/zinc/27/83/37/454278337.db2.gz CKPOISVOHCDHTF-ZIAGYGMSSA-N 0 0 340.383 3.113 10 5 EGBERN CC[C@H](NC(=O)COc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090467155 454308907 /nfs/dbraw/zinc/30/89/07/454308907.db2.gz GVJHSLXSVZSDKV-KRWDZBQOSA-N 0 0 344.367 3.250 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc(=O)[nH]1 ZINC000120592311 454323087 /nfs/dbraw/zinc/32/30/87/454323087.db2.gz APKPVLCECDOAEY-NSHDSACASA-N 0 0 341.367 3.410 10 5 EGBERN Cc1c(CC(=O)N(CCc2nccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000132892794 454375182 /nfs/dbraw/zinc/37/51/82/454375182.db2.gz CSCDHFUGJISKCY-UHFFFAOYSA-N 0 0 347.440 3.382 10 5 EGBERN COc1ncccc1N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000132947484 454379570 /nfs/dbraw/zinc/37/95/70/454379570.db2.gz DLYQFLZHMVBDFV-LLVKDONJSA-N 0 0 347.396 3.142 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000097105114 454408512 /nfs/dbraw/zinc/40/85/12/454408512.db2.gz OISDMEJLCANJSG-INIZCTEOSA-N 0 0 325.368 3.448 10 5 EGBERN CO[C@@]1(C)C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000073275284 454414880 /nfs/dbraw/zinc/41/48/80/454414880.db2.gz TYOWGUWPLJESFM-YOEHRIQHSA-N 0 0 331.372 3.010 10 5 EGBERN Cc1c(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000121338877 454422191 /nfs/dbraw/zinc/42/21/91/454422191.db2.gz VIAHIJRQWNPSBM-KBXCAEBGSA-N 0 0 348.349 3.489 10 5 EGBERN Cc1cc(C[C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000133513981 454434103 /nfs/dbraw/zinc/43/41/03/454434103.db2.gz KVWCYODWRULGEB-QMMMGPOBSA-N 0 0 339.193 3.432 10 5 EGBERN CCCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000063719949 454440254 /nfs/dbraw/zinc/44/02/54/454440254.db2.gz CLQMLXAZIYTASJ-UHFFFAOYSA-N 0 0 349.412 3.469 10 5 EGBERN Cc1ccnc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629023 454453052 /nfs/dbraw/zinc/45/30/52/454453052.db2.gz JOLLHRWSLFTPQJ-AWEZNQCLSA-N 0 0 344.390 3.321 10 5 EGBERN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605907 454457419 /nfs/dbraw/zinc/45/74/19/454457419.db2.gz XVRBSNAUDYFZTE-CYBMUJFWSA-N 0 0 331.372 3.264 10 5 EGBERN CCc1cc(C)c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000121735227 454470520 /nfs/dbraw/zinc/47/05/20/454470520.db2.gz QVCOFOUYTPGHJN-UHFFFAOYSA-N 0 0 341.327 3.096 10 5 EGBERN CCc1ccc2nc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2c1 ZINC000064354416 454474728 /nfs/dbraw/zinc/47/47/28/454474728.db2.gz LRGSPYOIJHHILN-UHFFFAOYSA-N 0 0 331.357 3.051 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133938621 454484213 /nfs/dbraw/zinc/48/42/13/454484213.db2.gz GHNBXHOPEYNIEM-GHMZBOCLSA-N 0 0 333.294 3.319 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000134003122 454491654 /nfs/dbraw/zinc/49/16/54/454491654.db2.gz VEVWHZSDPCNWAD-KGLIPLIRSA-N 0 0 327.340 3.049 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134056778 454498445 /nfs/dbraw/zinc/49/84/45/454498445.db2.gz AIRDMRZNRWMSNQ-HZPDHXFCSA-N 0 0 332.400 3.405 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000079992978 454511705 /nfs/dbraw/zinc/51/17/05/454511705.db2.gz LRZBYSATFOSNMC-GOSISDBHSA-N 0 0 332.400 3.190 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000134176116 454511969 /nfs/dbraw/zinc/51/19/69/454511969.db2.gz PKYVSCWGGWSRIN-HZPDHXFCSA-N 0 0 332.400 3.405 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@@H](C)CCSC)cc1[N+](=O)[O-] ZINC000134320827 454528007 /nfs/dbraw/zinc/52/80/07/454528007.db2.gz BDPKYBUZELPEIR-NSHDSACASA-N 0 0 326.418 3.207 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000134471664 454547599 /nfs/dbraw/zinc/54/75/99/454547599.db2.gz ZRERQSYRYDWKSH-DZGCQCFKSA-N 0 0 328.372 3.005 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134476719 454548386 /nfs/dbraw/zinc/54/83/86/454548386.db2.gz WOGVGXQZXQMVLV-ABAIWWIYSA-N 0 0 340.807 3.309 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134476742 454548656 /nfs/dbraw/zinc/54/86/56/454548656.db2.gz WOGVGXQZXQMVLV-XHDPSFHLSA-N 0 0 340.807 3.309 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000104460733 454587366 /nfs/dbraw/zinc/58/73/66/454587366.db2.gz UVCFXXHELJJVFL-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc(Cl)nc2)c1 ZINC000092585171 454590324 /nfs/dbraw/zinc/59/03/24/454590324.db2.gz QNUOLRZZNZQKMD-UHFFFAOYSA-N 0 0 325.727 3.427 10 5 EGBERN Cc1sc(C(=O)OCc2noc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000051025327 454605550 /nfs/dbraw/zinc/60/55/50/454605550.db2.gz BMVCNDGRKISLGO-UHFFFAOYSA-N 0 0 325.346 3.002 10 5 EGBERN Cc1cc(NC[C@H](O)c2ccc(OC(F)F)cc2)ncc1[N+](=O)[O-] ZINC000080605616 454605823 /nfs/dbraw/zinc/60/58/23/454605823.db2.gz FYIJWNHROIJDLH-ZDUSSCGKSA-N 0 0 339.298 3.045 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000134945795 454615232 /nfs/dbraw/zinc/61/52/32/454615232.db2.gz QUPXCKAIWFTFCV-AWEZNQCLSA-N 0 0 334.763 3.339 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065815559 454627550 /nfs/dbraw/zinc/62/75/50/454627550.db2.gz MCHZPNXMXOOCNQ-KKNUOHPOSA-N 0 0 330.384 3.011 10 5 EGBERN Cc1cc(N[C@H](Cc2nccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074768151 454632521 /nfs/dbraw/zinc/63/25/21/454632521.db2.gz WQTOQYORAGHAHG-OAHLLOKOSA-N 0 0 337.383 3.428 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC12CCC2 ZINC000080806410 454637345 /nfs/dbraw/zinc/63/73/45/454637345.db2.gz FWQQCZHJKGAKQC-UHFFFAOYSA-N 0 0 332.403 3.310 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000105853013 454660419 /nfs/dbraw/zinc/66/04/19/454660419.db2.gz DWFONRDSQBVBBG-OAHLLOKOSA-N 0 0 342.399 3.139 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000152705327 454715478 /nfs/dbraw/zinc/71/54/78/454715478.db2.gz LAYTYKFAOPPBFL-HUUCEWRRSA-N 0 0 340.335 3.108 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccs2)C1 ZINC000161860990 454730192 /nfs/dbraw/zinc/73/01/92/454730192.db2.gz YBGFMGNEBGKAIA-OAHLLOKOSA-N 0 0 346.408 3.189 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161971825 454742274 /nfs/dbraw/zinc/74/22/74/454742274.db2.gz UHHLVDRTFYGCLZ-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1ccccc1NC(=O)[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093661 454759463 /nfs/dbraw/zinc/75/94/63/454759463.db2.gz CUMVBLNVVKQHBR-AWEZNQCLSA-N 0 0 339.395 3.289 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)nc21 ZINC000153231535 454772753 /nfs/dbraw/zinc/77/27/53/454772753.db2.gz YGERUZVVXSVRBG-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN CC[C@@H](NC(=O)N(CC)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000176699714 454773145 /nfs/dbraw/zinc/77/31/45/454773145.db2.gz JNFUOWWTGFAPPZ-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000162510519 454780076 /nfs/dbraw/zinc/78/00/76/454780076.db2.gz VWSBLHKPPUEPHK-HOTGVXAUSA-N 0 0 343.387 3.405 10 5 EGBERN C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)O1 ZINC000153485392 454799107 /nfs/dbraw/zinc/79/91/07/454799107.db2.gz QKXUESLJBAEXNN-ZANVPECISA-N 0 0 333.369 3.224 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000139013922 454801084 /nfs/dbraw/zinc/80/10/84/454801084.db2.gz ILXZDWXHXVHKGE-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN Cc1sc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000177123150 454825957 /nfs/dbraw/zinc/82/59/57/454825957.db2.gz YCCAPIHYGHZLFW-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(CCc2nccs2)C(C)C)c1 ZINC000163263257 454834503 /nfs/dbraw/zinc/83/45/03/454834503.db2.gz NRNHFJIGBDVMFF-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126099444 454870520 /nfs/dbraw/zinc/87/05/20/454870520.db2.gz LYAQBTXHOOYHSB-KRWDZBQOSA-N 0 0 349.431 3.128 10 5 EGBERN O=C(N[C@@H]1CCCn2ncnc21)c1cc2ccccc2c2cccnc12 ZINC000177565982 454878924 /nfs/dbraw/zinc/87/89/24/454878924.db2.gz LHUVEDJGMIPGSC-QGZVFWFLSA-N 0 0 343.390 3.244 10 5 EGBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000154268805 454880085 /nfs/dbraw/zinc/88/00/85/454880085.db2.gz JZMRXYHCAJEJPK-ZDUSSCGKSA-N 0 0 343.383 3.114 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000126919935 454926152 /nfs/dbraw/zinc/92/61/52/454926152.db2.gz QJDHUTQDMIKZMN-UHFFFAOYSA-N 0 0 341.367 3.067 10 5 EGBERN CCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000154853072 454935875 /nfs/dbraw/zinc/93/58/75/454935875.db2.gz PIJKGXRKNYVSEZ-UHFFFAOYSA-N 0 0 341.205 3.349 10 5 EGBERN COC[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170743495 454967761 /nfs/dbraw/zinc/96/77/61/454967761.db2.gz JVOUSHHNMVVZDF-SUMWQHHRSA-N 0 0 343.383 3.343 10 5 EGBERN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000170846824 454987254 /nfs/dbraw/zinc/98/72/54/454987254.db2.gz HONZHVUGFQGAGT-UHFFFAOYSA-N 0 0 338.360 3.085 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000127747608 454994173 /nfs/dbraw/zinc/99/41/73/454994173.db2.gz GOMXEZWQIFCNSE-LLVKDONJSA-N 0 0 338.367 3.281 10 5 EGBERN O=C1NCC[C@H]1Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000179003087 454998134 /nfs/dbraw/zinc/99/81/34/454998134.db2.gz OSWGIHRFCROZLX-OAHLLOKOSA-N 0 0 334.404 3.016 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151648107 455012302 /nfs/dbraw/zinc/01/23/02/455012302.db2.gz ZAKQDNUKHVJGQI-GWCFXTLKSA-N 0 0 332.381 3.121 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000151835678 455036790 /nfs/dbraw/zinc/03/67/90/455036790.db2.gz LYAXWUMKFXWLQC-APPDUMDISA-N 0 0 344.342 3.198 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116002075 455038307 /nfs/dbraw/zinc/03/83/07/455038307.db2.gz GHXPEZBUEJYUMA-KBPBESRZSA-N 0 0 346.333 3.335 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000151917823 455048328 /nfs/dbraw/zinc/04/83/28/455048328.db2.gz WPWUMKIAIGICHI-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1cccc2c(CC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c[nH]c21 ZINC000155987175 455069416 /nfs/dbraw/zinc/06/94/16/455069416.db2.gz QQPFYCMELVGDOR-UHFFFAOYSA-N 0 0 325.324 3.271 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136290 455077866 /nfs/dbraw/zinc/07/78/66/455077866.db2.gz CELUFOCCWZWNFA-GFCCVEGCSA-N 0 0 333.417 3.031 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1OCC(F)F ZINC000129312050 455106415 /nfs/dbraw/zinc/10/64/15/455106415.db2.gz UNHTYUZGQWCSBM-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172049864 455113339 /nfs/dbraw/zinc/11/33/39/455113339.db2.gz GHXUBZCJXMQWSH-SJCJKPOMSA-N 0 0 326.352 3.118 10 5 EGBERN CCn1cnnc1[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177707 455132766 /nfs/dbraw/zinc/13/27/66/455132766.db2.gz NOXDOSCCWCHWOY-LBPRGKRZSA-N 0 0 349.822 3.239 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000172587493 455163320 /nfs/dbraw/zinc/16/33/20/455163320.db2.gz YOBZYHVJTXZZTB-QWHCGFSZSA-N 0 0 338.429 3.466 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189315069 455175298 /nfs/dbraw/zinc/17/52/98/455175298.db2.gz HUSPHJNUATXSIT-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000173549474 455303695 /nfs/dbraw/zinc/30/36/95/455303695.db2.gz YSBSNBDGDSDPSM-QGZVFWFLSA-N 0 0 327.384 3.230 10 5 EGBERN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000183635304 455314153 /nfs/dbraw/zinc/31/41/53/455314153.db2.gz VHVRFONDRGHTAR-VIFPVBQESA-N 0 0 336.298 3.193 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000183635271 455314603 /nfs/dbraw/zinc/31/46/03/455314603.db2.gz BAUGGGSKGUKMCI-CQSZACIVSA-N 0 0 345.424 3.397 10 5 EGBERN CC[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184404992 455377919 /nfs/dbraw/zinc/37/79/19/455377919.db2.gz AZAKOZYKLHICQQ-NSHDSACASA-N 0 0 325.365 3.440 10 5 EGBERN Cc1c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000174544116 455401557 /nfs/dbraw/zinc/40/15/57/455401557.db2.gz DJZCIWZQPRXAFJ-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(NCCOC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601002069 460671157 /nfs/dbraw/zinc/67/11/57/460671157.db2.gz IWNXIBVCDQKQGD-UHFFFAOYSA-N 0 0 332.400 3.092 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC2(C1)CCCCC2 ZINC000266054098 455421689 /nfs/dbraw/zinc/42/16/89/455421689.db2.gz HUXUJCGIXWMLME-UHFFFAOYSA-N 0 0 346.383 3.162 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175204169 455425756 /nfs/dbraw/zinc/42/57/56/455425756.db2.gz PBKUSEVAGYEJKT-QGZVFWFLSA-N 0 0 344.415 3.336 10 5 EGBERN CCn1cnnc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109921 455437851 /nfs/dbraw/zinc/43/78/51/455437851.db2.gz MUFIFPGSZLQVNR-CYBMUJFWSA-N 0 0 349.822 3.239 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@H]2C)cc1OC ZINC000175449802 455449409 /nfs/dbraw/zinc/44/94/09/455449409.db2.gz BJJBQEKSZIACJA-VXGBXAGGSA-N 0 0 336.388 3.263 10 5 EGBERN CCCc1nnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601008639 460673820 /nfs/dbraw/zinc/67/38/20/460673820.db2.gz VDJNJSDLJAPBJD-UHFFFAOYSA-N 0 0 346.412 3.459 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(CC)(CC)c2ccccc2)n1 ZINC000191643128 455506793 /nfs/dbraw/zinc/50/67/93/455506793.db2.gz QTZVHIAUAUVOJH-UHFFFAOYSA-N 0 0 344.415 3.299 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CCCc3ccccc3)no2)n1 ZINC000191682496 455509379 /nfs/dbraw/zinc/50/93/79/455509379.db2.gz KVKSMZGRNNGVLB-UHFFFAOYSA-N 0 0 327.344 3.037 10 5 EGBERN CC[C@@H](CN(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191716763 455513217 /nfs/dbraw/zinc/51/32/17/455513217.db2.gz XKTOVFIJEGKLPC-AWEZNQCLSA-N 0 0 344.415 3.467 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccccc2C)n1 ZINC000191779349 455518812 /nfs/dbraw/zinc/51/88/12/455518812.db2.gz SKSOZCVQMAPNQK-AWEZNQCLSA-N 0 0 328.372 3.097 10 5 EGBERN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000160992191 455521212 /nfs/dbraw/zinc/52/12/12/455521212.db2.gz YTPXFYDJDSMVRE-HUUCEWRRSA-N 0 0 336.436 3.225 10 5 EGBERN CC[C@H](NC(=O)c1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000267265618 455526987 /nfs/dbraw/zinc/52/69/87/455526987.db2.gz HIHLGEZIUSCGKW-AWEZNQCLSA-N 0 0 329.356 3.343 10 5 EGBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC(C)(C)O1 ZINC000601015277 460676590 /nfs/dbraw/zinc/67/65/90/460676590.db2.gz INJXQAJYELSMFW-CYBMUJFWSA-N 0 0 332.400 3.042 10 5 EGBERN CCS[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000267377591 455550009 /nfs/dbraw/zinc/55/00/09/455550009.db2.gz YVFCSSCOOAAOFX-GJZGRUSLSA-N 0 0 333.413 3.480 10 5 EGBERN Cc1csc(C2(NC(=O)CCc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000267998200 455577626 /nfs/dbraw/zinc/57/76/26/455577626.db2.gz UKHHNYSDCDLHSL-UHFFFAOYSA-N 0 0 345.424 3.488 10 5 EGBERN COc1cccc([C@H]2CN(c3cccc(OC)c3[N+](=O)[O-])CCO2)c1 ZINC000185588425 455581676 /nfs/dbraw/zinc/58/16/76/455581676.db2.gz WDVFQCKXBSAYEL-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271322071 455597145 /nfs/dbraw/zinc/59/71/45/455597145.db2.gz BEAHULHYXRKPHC-WWGRRREGSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000185785191 455621855 /nfs/dbraw/zinc/62/18/55/455621855.db2.gz IKHOVSAMDYQJCR-MEBBXXQBSA-N 0 0 345.330 3.058 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC(C)(C)C)n1 ZINC000271405742 455625259 /nfs/dbraw/zinc/62/52/59/455625259.db2.gz NJOXUSICTHZPQF-UHFFFAOYSA-N 0 0 330.388 3.017 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277663241 455626730 /nfs/dbraw/zinc/62/67/30/455626730.db2.gz RHPLCIKESFDWKI-UHFFFAOYSA-N 0 0 341.367 3.301 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000185854489 455635764 /nfs/dbraw/zinc/63/57/64/455635764.db2.gz XTNKMPASSBCSBT-RTGRKSDTSA-N 0 0 340.383 3.095 10 5 EGBERN CC[C@H]1C(=O)N([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CC1 ZINC000277746607 455653840 /nfs/dbraw/zinc/65/38/40/455653840.db2.gz VAZNBBKATFRCFP-FZMZJTMJSA-N 0 0 331.372 3.169 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c1[N+](=O)[O-] ZINC000192619871 455656364 /nfs/dbraw/zinc/65/63/64/455656364.db2.gz GSWPQXKVEQYKRW-LBPRGKRZSA-N 0 0 332.360 3.149 10 5 EGBERN Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000192806487 455697091 /nfs/dbraw/zinc/69/70/91/455697091.db2.gz QTXILSNFUUZPMR-CYBMUJFWSA-N 0 0 331.372 3.484 10 5 EGBERN O=C(NC[C@H]1CCCCO1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277936067 455714511 /nfs/dbraw/zinc/71/45/11/455714511.db2.gz RIJFZHKJWROUQH-CYBMUJFWSA-N 0 0 336.391 3.393 10 5 EGBERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284761591 455736722 /nfs/dbraw/zinc/73/67/22/455736722.db2.gz YLGGJGNGZCZSPB-OWQGQXMQSA-N 0 0 344.415 3.381 10 5 EGBERN CC(C)(CCO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278132635 455765926 /nfs/dbraw/zinc/76/59/26/455765926.db2.gz NAGXLHJRDQTUDW-UHFFFAOYSA-N 0 0 338.407 3.232 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cc(C)cc(C)c2)no1 ZINC000278196454 455784064 /nfs/dbraw/zinc/78/40/64/455784064.db2.gz VIIXTVLYUQFFQW-UHFFFAOYSA-N 0 0 327.344 3.009 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC000271857739 455789501 /nfs/dbraw/zinc/78/95/01/455789501.db2.gz IJDHIWQWFKHVNT-AWEZNQCLSA-N 0 0 333.775 3.091 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000252452945 455805382 /nfs/dbraw/zinc/80/53/82/455805382.db2.gz PWKGYMOFCJXUKO-UKRRQHHQSA-N 0 0 348.399 3.167 10 5 EGBERN CCC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000278288093 455808188 /nfs/dbraw/zinc/80/81/88/455808188.db2.gz BPQMZMYTHRKDQS-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000253419858 455843235 /nfs/dbraw/zinc/84/32/35/455843235.db2.gz ICQCBKGTAISFDK-AWEZNQCLSA-N 0 0 340.383 3.131 10 5 EGBERN C[C@H]1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000272177103 455867281 /nfs/dbraw/zinc/86/72/81/455867281.db2.gz QIRALSFQALBCSE-DTWKUNHWSA-N 0 0 343.177 3.111 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@H](c2nccs2)C1 ZINC000255498872 455867955 /nfs/dbraw/zinc/86/79/55/455867955.db2.gz PYWGQQMJFFMTQD-QTLSWZBMSA-N 0 0 331.397 3.138 10 5 EGBERN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000272271118 455897003 /nfs/dbraw/zinc/89/70/03/455897003.db2.gz KKQIDOVCAZCVQG-HNNXBMFYSA-N 0 0 332.356 3.312 10 5 EGBERN Cc1cccnc1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000296479163 455949419 /nfs/dbraw/zinc/94/94/19/455949419.db2.gz RFCVSUZAFKBFHQ-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195488183 455967425 /nfs/dbraw/zinc/96/74/25/455967425.db2.gz PRXGCCKQUWILKR-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN COCC[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272498821 455971288 /nfs/dbraw/zinc/97/12/88/455971288.db2.gz HIZHZKQOFVZQQY-TZMCWYRMSA-N 0 0 347.371 3.326 10 5 EGBERN CCCCOCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280497538 455983260 /nfs/dbraw/zinc/98/32/60/455983260.db2.gz DLENFCFURQNBRI-UHFFFAOYSA-N 0 0 345.193 3.421 10 5 EGBERN CN1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800785 456041796 /nfs/dbraw/zinc/04/17/96/456041796.db2.gz UGIUXMTYQHPJRH-DZGCQCFKSA-N 0 0 334.326 3.125 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000296853493 456053327 /nfs/dbraw/zinc/05/33/27/456053327.db2.gz IVJVEIQDYZXUSG-MNOVXSKESA-N 0 0 345.321 3.196 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000188411690 456058355 /nfs/dbraw/zinc/05/83/55/456058355.db2.gz PVKIJLIJCYQHIC-GFCCVEGCSA-N 0 0 344.371 3.498 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC2(O)CCCCCC2)c([N+](=O)[O-])c1 ZINC000301258869 456074340 /nfs/dbraw/zinc/07/43/40/456074340.db2.gz CJDUFMDHPDWBMF-VQHVLOKHSA-N 0 0 348.399 3.278 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cccc(CN3CCOCC3)c2)c(Cl)c1 ZINC000301289571 456081986 /nfs/dbraw/zinc/08/19/86/456081986.db2.gz SPWGWGAVCSCYCR-UHFFFAOYSA-N 0 0 348.790 3.219 10 5 EGBERN Cc1c(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)sc2nccn12 ZINC000270976428 456083426 /nfs/dbraw/zinc/08/34/26/456083426.db2.gz BISRYCPWUUOXPL-UHFFFAOYSA-N 0 0 342.380 3.205 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000301311123 456086998 /nfs/dbraw/zinc/08/69/98/456086998.db2.gz FWKZOMMBANRAPD-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN COc1cccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)c1 ZINC000225515764 456089217 /nfs/dbraw/zinc/08/92/17/456089217.db2.gz XCMDTAKSEVTKLY-GOSISDBHSA-N 0 0 339.351 3.301 10 5 EGBERN CC[C@H](NC(=O)[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271072458 456118076 /nfs/dbraw/zinc/11/80/76/456118076.db2.gz YQVZZRSMUDWWII-ZWKOTPCHSA-N 0 0 342.395 3.156 10 5 EGBERN Cc1sc(C(=O)N2Cc3ccccc3OC[C@H]2C)cc1[N+](=O)[O-] ZINC000272953259 456123475 /nfs/dbraw/zinc/12/34/75/456123475.db2.gz MQSDYFSUZIHUDM-SNVBAGLBSA-N 0 0 332.381 3.388 10 5 EGBERN CCOc1cc(CN2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193137 456158747 /nfs/dbraw/zinc/15/87/47/456158747.db2.gz ABVBZAZJWCKIAK-INIZCTEOSA-N 0 0 344.415 3.454 10 5 EGBERN CCO[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C12CCC2 ZINC000601119717 460717313 /nfs/dbraw/zinc/71/73/13/460717313.db2.gz VVZQQOUZVMXPAB-IUCAKERBSA-N 0 0 348.325 3.107 10 5 EGBERN C[C@@]1(c2ccccc2)CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000301653259 456175445 /nfs/dbraw/zinc/17/54/45/456175445.db2.gz RBOZJZCPVDSCOL-INIZCTEOSA-N 0 0 333.775 3.395 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCc4ccc(F)cc43)cc2N1 ZINC000301684153 456185352 /nfs/dbraw/zinc/18/53/52/456185352.db2.gz KURCSAQZUVSXSO-LBPRGKRZSA-N 0 0 343.314 3.164 10 5 EGBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301692835 456188421 /nfs/dbraw/zinc/18/84/21/456188421.db2.gz ZIOFPDGGNMBPDF-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000273207660 456214730 /nfs/dbraw/zinc/21/47/30/456214730.db2.gz AYMSEDXWVHDWQM-VZXWGBOOSA-N 0 0 332.400 3.318 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369394 456216738 /nfs/dbraw/zinc/21/67/38/456216738.db2.gz LOZVAHQITWVDGH-HNNXBMFYSA-N 0 0 348.378 3.203 10 5 EGBERN C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000301888219 456243009 /nfs/dbraw/zinc/24/30/09/456243009.db2.gz MXXQKLQKACMFOM-SNVBAGLBSA-N 0 0 340.426 3.275 10 5 EGBERN Cc1cc(N[C@H](C)Cn2ncc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000301906247 456246921 /nfs/dbraw/zinc/24/69/21/456246921.db2.gz QQBUMDMOVXPOFY-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000290166689 456257922 /nfs/dbraw/zinc/25/79/22/456257922.db2.gz MHAWWNRJEHXPMI-RYUDHWBXSA-N 0 0 334.376 3.235 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3cccc(-c4ccccn4)c3)nn21 ZINC000301967555 456260833 /nfs/dbraw/zinc/26/08/33/456260833.db2.gz OWFZZEAJZHVBNA-UHFFFAOYSA-N 0 0 346.350 3.312 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297715134 456278911 /nfs/dbraw/zinc/27/89/11/456278911.db2.gz IIVZZPUTVJMOIM-UHFFFAOYSA-N 0 0 332.360 3.392 10 5 EGBERN C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](c2ccco2)C1 ZINC000302075917 456280504 /nfs/dbraw/zinc/28/05/04/456280504.db2.gz XYONXSBFPISUNH-NEPJUHHUSA-N 0 0 327.344 3.208 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601133054 460725247 /nfs/dbraw/zinc/72/52/47/460725247.db2.gz SJMIRAHCVPOBAU-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352779011 456297890 /nfs/dbraw/zinc/29/78/90/456297890.db2.gz MZANJOSLLXIVTE-GFCCVEGCSA-N 0 0 346.383 3.471 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000275782844 456312008 /nfs/dbraw/zinc/31/20/08/456312008.db2.gz JSWKOUHXSNZAHU-GDBMZVCRSA-N 0 0 338.791 3.244 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1(C(F)(F)F)CC1 ZINC000342951968 456334520 /nfs/dbraw/zinc/33/45/20/456334520.db2.gz NGAXWNRWDLHENG-UHFFFAOYSA-N 0 0 336.697 3.249 10 5 EGBERN C[C@@H](c1ccsc1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601145120 460730287 /nfs/dbraw/zinc/73/02/87/460730287.db2.gz ZXQRQKUZZAJJEW-NSHDSACASA-N 0 0 336.392 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCCN1CCc2c(Cl)cccc2C1 ZINC000302668344 456371516 /nfs/dbraw/zinc/37/15/16/456371516.db2.gz NCFVDNIULUIGBS-UHFFFAOYSA-N 0 0 346.818 3.422 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000352878435 456384449 /nfs/dbraw/zinc/38/44/49/456384449.db2.gz USEMCXKKLGMUSD-JTQLQIEISA-N 0 0 334.397 3.334 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352897850 456398811 /nfs/dbraw/zinc/39/88/11/456398811.db2.gz BMHCYOHLWOWNSV-KGLIPLIRSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1ccsc1 ZINC000352900944 456400960 /nfs/dbraw/zinc/40/09/60/456400960.db2.gz KPBIUVLXNYOSCX-CYBMUJFWSA-N 0 0 335.385 3.128 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N1CCC(c2nnc3ccccn32)CC1 ZINC000302790849 456403019 /nfs/dbraw/zinc/40/30/19/456403019.db2.gz AFVGWAZPVCFGRH-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](C)O1 ZINC000601149549 460732550 /nfs/dbraw/zinc/73/25/50/460732550.db2.gz NXXMRDYUOIYLAD-CZUORRHYSA-N 0 0 332.400 3.042 10 5 EGBERN CN(CCCCO)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000276188234 456409408 /nfs/dbraw/zinc/40/94/08/456409408.db2.gz GNDRZHRTWDVJDU-UHFFFAOYSA-N 0 0 328.368 3.035 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncc(-c3cccs3)o1)CC2 ZINC000352995954 456435855 /nfs/dbraw/zinc/43/58/55/456435855.db2.gz DGPGSLPPCNMMFW-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN Cc1c(CC(=O)N[C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000340400374 456437719 /nfs/dbraw/zinc/43/77/19/456437719.db2.gz IFTFPVVCZPLAHV-SFHVURJKSA-N 0 0 325.368 3.108 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340402454 456438290 /nfs/dbraw/zinc/43/82/90/456438290.db2.gz PYLUZXCAQSPNQM-QGZVFWFLSA-N 0 0 336.351 3.352 10 5 EGBERN CCc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000337641749 456449431 /nfs/dbraw/zinc/44/94/31/456449431.db2.gz YLBBFUMRTGEQPR-MRXNPFEDSA-N 0 0 341.367 3.114 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(C1)CCCCC2 ZINC000276348714 456453065 /nfs/dbraw/zinc/45/30/65/456453065.db2.gz UBCRBNQUZNZOOM-UHFFFAOYSA-N 0 0 338.429 3.159 10 5 EGBERN O=C(NC1(C(F)F)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000337678002 456476051 /nfs/dbraw/zinc/47/60/51/456476051.db2.gz DXGDSXINBPIGCG-UHFFFAOYSA-N 0 0 328.318 3.209 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282323944 456476798 /nfs/dbraw/zinc/47/67/98/456476798.db2.gz UMRRNDGUNVPDFY-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(O)CCCCCC1 ZINC000276527154 456506756 /nfs/dbraw/zinc/50/67/56/456506756.db2.gz DKUXZDCHUAWXNI-UHFFFAOYSA-N 0 0 340.807 3.372 10 5 EGBERN Cc1ccncc1N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340593465 456555143 /nfs/dbraw/zinc/55/51/43/456555143.db2.gz AXYQMYNVWBHYMQ-HNNXBMFYSA-N 0 0 326.400 3.181 10 5 EGBERN COC(=O)CCCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000299296503 456651260 /nfs/dbraw/zinc/65/12/60/456651260.db2.gz WLYKMOJGYOBXJB-UHFFFAOYSA-N 0 0 336.391 3.461 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000353369102 456652358 /nfs/dbraw/zinc/65/23/58/456652358.db2.gz IPMMPQOAFQUVRE-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN CC[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338260275 456737599 /nfs/dbraw/zinc/73/75/99/456737599.db2.gz RFBJNCVDJWRCMN-OAHLLOKOSA-N 0 0 342.399 3.457 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000348527556 456739289 /nfs/dbraw/zinc/73/92/89/456739289.db2.gz TVFYSUCEWZFVOK-UHFFFAOYSA-N 0 0 344.302 3.261 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277320448 456777612 /nfs/dbraw/zinc/77/76/12/456777612.db2.gz DERSSOVRCDXJGS-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN CC(C)(C)n1cnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000344063304 456793578 /nfs/dbraw/zinc/79/35/78/456793578.db2.gz JXQNUSOGBNQLTB-UHFFFAOYSA-N 0 0 345.384 3.408 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610615 456801795 /nfs/dbraw/zinc/80/17/95/456801795.db2.gz XEQLTWPTTGYPHU-CVEARBPZSA-N 0 0 326.400 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@@H](C2CC2)C1 ZINC000341040681 456811571 /nfs/dbraw/zinc/81/15/71/456811571.db2.gz GLTZPJUSCCEGOK-QGZVFWFLSA-N 0 0 345.443 3.053 10 5 EGBERN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000348801587 456862504 /nfs/dbraw/zinc/86/25/04/456862504.db2.gz NNDCOSLAWDTKBF-IUODEOHRSA-N 0 0 325.368 3.371 10 5 EGBERN Cc1cccc(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292136716 456865021 /nfs/dbraw/zinc/86/50/21/456865021.db2.gz LWTJXMQKIBOYIB-UHFFFAOYSA-N 0 0 327.384 3.367 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338992073 456889287 /nfs/dbraw/zinc/88/92/87/456889287.db2.gz DYGCYRCTEMMQDR-AWEZNQCLSA-N 0 0 343.349 3.282 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCOCC3(CC3)C2)c1 ZINC000339082051 456931237 /nfs/dbraw/zinc/93/12/37/456931237.db2.gz PBRCTISHVSGZAK-UHFFFAOYSA-N 0 0 330.306 3.226 10 5 EGBERN CC(C)Oc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000341771755 456936797 /nfs/dbraw/zinc/93/67/97/456936797.db2.gz LVYOGRAEWXYBOK-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN COC1(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000341782916 456942812 /nfs/dbraw/zinc/94/28/12/456942812.db2.gz LIFJSFPOXLCSPT-UHFFFAOYSA-N 0 0 336.388 3.026 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cccc3ncnn32)cc1[N+](=O)[O-] ZINC000341782362 456943137 /nfs/dbraw/zinc/94/31/37/456943137.db2.gz HFABYHLUOPNXJJ-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN C[C@@H](C(=O)Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000341829650 456962228 /nfs/dbraw/zinc/96/22/28/456962228.db2.gz XYAFIHIDQWSWOU-SNVBAGLBSA-N 0 0 344.346 3.219 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000353916802 456964522 /nfs/dbraw/zinc/96/45/22/456964522.db2.gz YJOOBMGEDDYVOP-UHFFFAOYSA-N 0 0 339.355 3.355 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cc1 ZINC000339185144 456982216 /nfs/dbraw/zinc/98/22/16/456982216.db2.gz URKJUDLOMMPSBF-QGZVFWFLSA-N 0 0 325.368 3.488 10 5 EGBERN CCOc1ncccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000358873818 457016798 /nfs/dbraw/zinc/01/67/98/457016798.db2.gz SZQQFPTVKHXMRC-UHFFFAOYSA-N 0 0 349.774 3.280 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356487481 457016890 /nfs/dbraw/zinc/01/68/90/457016890.db2.gz VXHROYWUQXOEDU-SJLPKXTDSA-N 0 0 344.342 3.203 10 5 EGBERN CC[C@@H](C)Oc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccn1 ZINC000362644621 457021736 /nfs/dbraw/zinc/02/17/36/457021736.db2.gz TZRISQFIEDKGKR-LLVKDONJSA-N 0 0 341.371 3.077 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000359086515 457051060 /nfs/dbraw/zinc/05/10/60/457051060.db2.gz VCESFGLIVAEWCT-UHFFFAOYSA-N 0 0 340.383 3.111 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2c1c(F)ccc2F ZINC000354100509 457062308 /nfs/dbraw/zinc/06/23/08/457062308.db2.gz RYVAWTLDJNPMHA-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN Cc1c(Cl)cc(F)c(NC(=O)c2ccc([N+](=O)[O-])n2C)c1F ZINC000342044322 457077467 /nfs/dbraw/zinc/07/74/67/457077467.db2.gz HUJGIVUSANBKGF-UHFFFAOYSA-N 0 0 329.690 3.426 10 5 EGBERN CC[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330777385 457083679 /nfs/dbraw/zinc/08/36/79/457083679.db2.gz AAUHXDBJRLXILY-SNVBAGLBSA-N 0 0 328.315 3.458 10 5 EGBERN COc1cc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)cc([N+](=O)[O-])c1C ZINC000346653557 457093188 /nfs/dbraw/zinc/09/31/88/457093188.db2.gz JBNHJUKENRBMGP-ONGXEEELSA-N 0 0 333.344 3.244 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000342080469 457097649 /nfs/dbraw/zinc/09/76/49/457097649.db2.gz WHRNAOMWTDOLOS-ZDUSSCGKSA-N 0 0 345.399 3.355 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CO)c(Cl)c1 ZINC000354159417 457100249 /nfs/dbraw/zinc/10/02/49/457100249.db2.gz UPUFDCIJAGZLSC-UHFFFAOYSA-N 0 0 334.759 3.312 10 5 EGBERN C[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cncnc1 ZINC000356731289 457139712 /nfs/dbraw/zinc/13/97/12/457139712.db2.gz IIKZCOZMVHVONP-NSHDSACASA-N 0 0 328.372 3.425 10 5 EGBERN COCCOCc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359952384 457167998 /nfs/dbraw/zinc/16/79/98/457167998.db2.gz LXZRDJVWTCTBMN-UHFFFAOYSA-N 0 0 345.399 3.382 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000339685640 457211880 /nfs/dbraw/zinc/21/18/80/457211880.db2.gz AXTJOVCSYNKCBO-INIZCTEOSA-N 0 0 343.383 3.144 10 5 EGBERN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccnnc1 ZINC000339692931 457216613 /nfs/dbraw/zinc/21/66/13/457216613.db2.gz DGBUBKWCUIOXLJ-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CCc2ccc(C)o2)n1 ZINC000342295979 457220373 /nfs/dbraw/zinc/22/03/73/457220373.db2.gz PKIJSHMZCRTMRI-JTQLQIEISA-N 0 0 333.344 3.111 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C(F)(F)C3CCOCC3)n2)s1 ZINC000347114034 457236611 /nfs/dbraw/zinc/23/66/11/457236611.db2.gz YGRCLKYCQWAFFZ-UHFFFAOYSA-N 0 0 331.300 3.225 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1ccccc1 ZINC000354471169 457244928 /nfs/dbraw/zinc/24/49/28/457244928.db2.gz BZAJFVNJALIDSZ-KBPBESRZSA-N 0 0 328.393 3.359 10 5 EGBERN Cc1noc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000347169226 457267532 /nfs/dbraw/zinc/26/75/32/457267532.db2.gz NWXDWTDQOSWCBT-VIFPVBQESA-N 0 0 347.375 3.466 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3coc4cc(F)ccc43)n2)n1C ZINC000347172473 457269932 /nfs/dbraw/zinc/26/99/32/457269932.db2.gz XCCIMBCXWOKMFD-UHFFFAOYSA-N 0 0 343.274 3.239 10 5 EGBERN Cc1cn2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1 ZINC000340135834 457342315 /nfs/dbraw/zinc/34/23/15/457342315.db2.gz VNAWBWXDQLTQKD-UHFFFAOYSA-N 0 0 349.350 3.213 10 5 EGBERN Cc1c(CNC(=O)c2[nH]nc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000342526633 457351007 /nfs/dbraw/zinc/35/10/07/457351007.db2.gz UYVCUIFLVLLERK-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000373888147 457385401 /nfs/dbraw/zinc/38/54/01/457385401.db2.gz RHPFBVXVDXYKHZ-MQMHXKEQSA-N 0 0 329.331 3.113 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000360855790 457387517 /nfs/dbraw/zinc/38/75/17/457387517.db2.gz XBNOJDPMIVVEHY-UHFFFAOYSA-N 0 0 332.306 3.000 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000360870441 457395994 /nfs/dbraw/zinc/39/59/94/457395994.db2.gz HCKMCCQDYHALAT-MFKMUULPSA-N 0 0 346.305 3.163 10 5 EGBERN CCOc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000360920194 457432869 /nfs/dbraw/zinc/43/28/69/457432869.db2.gz YUFDKPPVBFJXKH-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342660512 457435894 /nfs/dbraw/zinc/43/58/94/457435894.db2.gz WKPWRPZSZAGVFT-SJORKVTESA-N 0 0 344.342 3.384 10 5 EGBERN COCc1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000342679870 457451850 /nfs/dbraw/zinc/45/18/50/457451850.db2.gz GKZVTCUXSHBGPT-UHFFFAOYSA-N 0 0 333.413 3.362 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000356109487 457453261 /nfs/dbraw/zinc/45/32/61/457453261.db2.gz KWUQUTZFRBRAKR-OCCSQVGLSA-N 0 0 332.306 3.293 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](NC[C@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556199 457464737 /nfs/dbraw/zinc/46/47/37/457464737.db2.gz WPDLLEUDNSLKBK-LSDHHAIUSA-N 0 0 340.301 3.197 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357378314 457482433 /nfs/dbraw/zinc/48/24/33/457482433.db2.gz HFXHUIRVDXMYJA-JQWIXIFHSA-N 0 0 330.306 3.327 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000360978542 457483824 /nfs/dbraw/zinc/48/38/24/457483824.db2.gz FPGZLJADUIQCCD-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN COc1ccc(CNc2ccncc2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000361002882 457503927 /nfs/dbraw/zinc/50/39/27/457503927.db2.gz PXWPFETXROKYFW-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1-n1ccc(C)n1 ZINC000361043416 457538579 /nfs/dbraw/zinc/53/85/79/457538579.db2.gz OVPZXKOQYNVVAB-UHFFFAOYSA-N 0 0 340.387 3.226 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000370114307 457550993 /nfs/dbraw/zinc/55/09/93/457550993.db2.gz TUPKWWPEGWTSBW-HAQNSBGRSA-N 0 0 329.331 3.113 10 5 EGBERN CCOC(=O)c1cc(NCc2ccc3cc[nH]c3n2)ccc1[N+](=O)[O-] ZINC000357578485 457603299 /nfs/dbraw/zinc/60/32/99/457603299.db2.gz IEEQUWVAXUCEIO-UHFFFAOYSA-N 0 0 340.339 3.260 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000409632799 457610606 /nfs/dbraw/zinc/61/06/06/457610606.db2.gz QYKTVVBUOVWHKV-ZDUSSCGKSA-N 0 0 327.331 3.232 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnc(C)s1 ZINC000361161467 457621133 /nfs/dbraw/zinc/62/11/33/457621133.db2.gz JVIKVTRVCZHRKZ-ZDUSSCGKSA-N 0 0 333.413 3.245 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000374521841 457648086 /nfs/dbraw/zinc/64/80/86/457648086.db2.gz OVVHNDAMDQDZFA-GOSISDBHSA-N 0 0 328.343 3.235 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000357765438 457682119 /nfs/dbraw/zinc/68/21/19/457682119.db2.gz ABNRXTPEIBLTFF-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1sc(C(=O)Nc2cccc3c2OCCC3=O)cc1[N+](=O)[O-] ZINC000374856723 457720441 /nfs/dbraw/zinc/72/04/41/457720441.db2.gz QTWWWYCTXYABKM-UHFFFAOYSA-N 0 0 332.337 3.182 10 5 EGBERN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000374929049 457735883 /nfs/dbraw/zinc/73/58/83/457735883.db2.gz OYESCPCWEGWDJP-SJCJKPOMSA-N 0 0 341.367 3.222 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000410741798 457748255 /nfs/dbraw/zinc/74/82/55/457748255.db2.gz RMQIZRNCGXVQKI-OPRDCNLKSA-N 0 0 346.305 3.252 10 5 EGBERN C[C@H](CC(F)(F)F)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000457623457 457769542 /nfs/dbraw/zinc/76/95/42/457769542.db2.gz FYXDPIVMKBZXPK-MRVPVSSYSA-N 0 0 327.262 3.092 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000366200472 457799735 /nfs/dbraw/zinc/79/97/35/457799735.db2.gz JMMBUNDFRSBOMJ-UHFFFAOYSA-N 0 0 347.321 3.288 10 5 EGBERN CCN(c1ccccc1F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443701812 457806031 /nfs/dbraw/zinc/80/60/31/457806031.db2.gz ADDSKMSWRKWSHN-UHFFFAOYSA-N 0 0 338.360 3.090 10 5 EGBERN CC(C)c1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000426379833 457817170 /nfs/dbraw/zinc/81/71/70/457817170.db2.gz QOWKJLVBRKQRQF-UHFFFAOYSA-N 0 0 327.384 3.377 10 5 EGBERN CCc1n[nH]c(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000443950560 457829147 /nfs/dbraw/zinc/82/91/47/457829147.db2.gz HTWBFRCCTAZLCM-GFCCVEGCSA-N 0 0 330.388 3.330 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000366494974 457829628 /nfs/dbraw/zinc/82/96/28/457829628.db2.gz RMMPHMLQNPWVHB-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411207993 457831041 /nfs/dbraw/zinc/83/10/41/457831041.db2.gz KADPCZRTGFAPGF-LSDHHAIUSA-N 0 0 347.415 3.173 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ncccc2C1 ZINC000371244725 457839109 /nfs/dbraw/zinc/83/91/09/457839109.db2.gz PXCMQXWGFNQANE-UHFFFAOYSA-N 0 0 332.747 3.233 10 5 EGBERN COCCN(Cc1scnc1C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000426562362 457855693 /nfs/dbraw/zinc/85/56/93/457855693.db2.gz RQJQECANQOCVKB-UHFFFAOYSA-N 0 0 335.429 3.317 10 5 EGBERN CC[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC000426673504 457875255 /nfs/dbraw/zinc/87/52/55/457875255.db2.gz FZTZDZILTCERTC-NSHDSACASA-N 0 0 349.412 3.309 10 5 EGBERN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000371435291 457928634 /nfs/dbraw/zinc/92/86/34/457928634.db2.gz BOCYCVWNHGERPD-CHWSQXEVSA-N 0 0 329.404 3.325 10 5 EGBERN CCOc1ccc(C(=O)Nc2c(C)[nH]nc2C(F)F)cc1[N+](=O)[O-] ZINC000358315985 457929233 /nfs/dbraw/zinc/92/92/33/457929233.db2.gz HELLFNYKBSEBQI-UHFFFAOYSA-N 0 0 340.286 3.215 10 5 EGBERN Nc1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000367268701 457938944 /nfs/dbraw/zinc/93/89/44/457938944.db2.gz FAOXJUNBXPWMJH-LLVKDONJSA-N 0 0 334.326 3.146 10 5 EGBERN Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000434329542 457977336 /nfs/dbraw/zinc/97/73/36/457977336.db2.gz AABPCWQKGNTWDJ-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cn1nccc1C1=CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000375692202 458023140 /nfs/dbraw/zinc/02/31/40/458023140.db2.gz ZOCDFROMLLZIDF-UHFFFAOYSA-N 0 0 332.791 3.271 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000358492762 458035844 /nfs/dbraw/zinc/03/58/44/458035844.db2.gz DDWCRBSBNVNMIB-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN C[C@@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[S@](C)=O ZINC000362157097 458036088 /nfs/dbraw/zinc/03/60/88/458036088.db2.gz OPNNESMFWDWEGE-RZFZLAGVSA-N 0 0 340.448 3.275 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000434768946 458047268 /nfs/dbraw/zinc/04/72/68/458047268.db2.gz WOTUSOIKMMKLJC-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2ccccc2)O1 ZINC000427985897 458062439 /nfs/dbraw/zinc/06/24/39/458062439.db2.gz UGRQGHTVHRFYFO-PXAZEXFGSA-N 0 0 338.367 3.438 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncc(Cl)s1 ZINC000358543246 458063814 /nfs/dbraw/zinc/06/38/14/458063814.db2.gz SMJRAYYPAOQNEQ-MRVPVSSYSA-N 0 0 346.817 3.381 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncc(Cl)s1 ZINC000358543248 458064444 /nfs/dbraw/zinc/06/44/44/458064444.db2.gz SMJRAYYPAOQNEQ-QMMMGPOBSA-N 0 0 346.817 3.381 10 5 EGBERN C[C@H](C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000358561727 458078186 /nfs/dbraw/zinc/07/81/86/458078186.db2.gz AIDJXGZASAZUCK-DYQSUWPFSA-N 0 0 342.317 3.341 10 5 EGBERN CCCCCOC1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000428161448 458088262 /nfs/dbraw/zinc/08/82/62/458088262.db2.gz KTLWHLWYWOSVSB-UHFFFAOYSA-N 0 0 336.388 3.085 10 5 EGBERN Cc1ccc(OC(F)F)c(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000428353851 458126342 /nfs/dbraw/zinc/12/63/42/458126342.db2.gz WSZOLHWNCPAEPS-UHFFFAOYSA-N 0 0 349.337 3.458 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCCN(c2ccccc2F)CC1 ZINC000375967111 458144474 /nfs/dbraw/zinc/14/44/74/458144474.db2.gz AOFWIQSJMFRZKY-UHFFFAOYSA-N 0 0 343.358 3.086 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412282714 458153997 /nfs/dbraw/zinc/15/39/97/458153997.db2.gz WKZHWHOWHXIKAF-FRQCXROJSA-N 0 0 346.427 3.146 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000358709421 458162536 /nfs/dbraw/zinc/16/25/36/458162536.db2.gz ZZSNOPIMAHPLBN-HZPDHXFCSA-N 0 0 326.352 3.023 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000358710645 458164186 /nfs/dbraw/zinc/16/41/86/458164186.db2.gz BGZQLGMMSGDATJ-LBPRGKRZSA-N 0 0 343.383 3.442 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000412406781 458194602 /nfs/dbraw/zinc/19/46/02/458194602.db2.gz ZQTKCXUOEPVOQI-UHFFFAOYSA-N 0 0 348.790 3.163 10 5 EGBERN COc1cccc(C(=O)N(C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000435974008 458231457 /nfs/dbraw/zinc/23/14/57/458231457.db2.gz SYKLOSXDLUUAIY-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CNCc3cc(-c4ccccc4)n[nH]3)nc2c1 ZINC000446838970 458236132 /nfs/dbraw/zinc/23/61/32/458236132.db2.gz NWEZSDKYBHLOHC-UHFFFAOYSA-N 0 0 348.366 3.151 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000376270537 458255295 /nfs/dbraw/zinc/25/52/95/458255295.db2.gz PQUSKNWBYLAGKT-QGZVFWFLSA-N 0 0 339.395 3.014 10 5 EGBERN CC[C@@H]1CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295398 458312075 /nfs/dbraw/zinc/31/20/75/458312075.db2.gz PKLCZICNMGHJEC-LLVKDONJSA-N 0 0 346.168 3.184 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2O)n1 ZINC000436516687 458320740 /nfs/dbraw/zinc/32/07/40/458320740.db2.gz VEXSGTGHFOXLQM-UHFFFAOYSA-N 0 0 332.360 3.067 10 5 EGBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)cc1 ZINC000447676230 458328682 /nfs/dbraw/zinc/32/86/82/458328682.db2.gz BRHQQWTYXHDJQC-LBPRGKRZSA-N 0 0 348.366 3.252 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3ccccc3OC(F)F)nc2c1 ZINC000447684448 458329581 /nfs/dbraw/zinc/32/95/81/458329581.db2.gz ZMGQQQLMDGTTAW-UHFFFAOYSA-N 0 0 348.309 3.149 10 5 EGBERN CN(CCOCc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447694371 458329996 /nfs/dbraw/zinc/32/99/96/458329996.db2.gz QQEDBJLBDMXQGD-UHFFFAOYSA-N 0 0 326.356 3.124 10 5 EGBERN CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447696955 458330779 /nfs/dbraw/zinc/33/07/79/458330779.db2.gz VJKCZTKJWPYHNR-QLJPJBMISA-N 0 0 344.346 3.220 10 5 EGBERN O=[N+]([O-])c1ccccc1C=CCN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372922321 458349462 /nfs/dbraw/zinc/34/94/62/458349462.db2.gz LNDNDCXNPLZGKM-DKISHCGFSA-N 0 0 335.367 3.105 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000461935650 458579947 /nfs/dbraw/zinc/57/99/47/458579947.db2.gz OEYJSDQUKKEGFX-ZDUSSCGKSA-N 0 0 347.394 3.165 10 5 EGBERN C[C@]1(c2ccccc2)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496892 458587333 /nfs/dbraw/zinc/58/73/33/458587333.db2.gz YZLSBIMVTYCGPN-IBGZPJMESA-N 0 0 339.395 3.197 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000373806223 458608500 /nfs/dbraw/zinc/60/85/00/458608500.db2.gz JMGCMQUXRQSATM-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1noc(C2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)n1 ZINC000378053321 458612818 /nfs/dbraw/zinc/61/28/18/458612818.db2.gz VZZOQKSLGZPZDP-UHFFFAOYSA-N 0 0 348.388 3.134 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439305159 458688422 /nfs/dbraw/zinc/68/84/22/458688422.db2.gz PPWWNKPEEPHDTI-KBPBESRZSA-N 0 0 333.388 3.184 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCn3c(cc4ccccc43)C2)c1 ZINC000463416235 458696863 /nfs/dbraw/zinc/69/68/63/458696863.db2.gz MSMJYWITBADLEJ-UHFFFAOYSA-N 0 0 337.379 3.444 10 5 EGBERN CCCc1ncc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])o1 ZINC000456544251 458708667 /nfs/dbraw/zinc/70/86/67/458708667.db2.gz ZDGDFHRISYIXCD-UHFFFAOYSA-N 0 0 335.385 3.187 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463887487 458722892 /nfs/dbraw/zinc/72/28/92/458722892.db2.gz OGDYBYAOSSSRSP-LSDHHAIUSA-N 0 0 333.432 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424875644 458754909 /nfs/dbraw/zinc/75/49/09/458754909.db2.gz DZAZMTSMALJCOI-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1F ZINC000518435046 458867842 /nfs/dbraw/zinc/86/78/42/458867842.db2.gz VZIUAAAQBHEADA-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CC1(CC(F)(F)F)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457119974 458873560 /nfs/dbraw/zinc/87/35/60/458873560.db2.gz OQMGZEQNZYESMT-UHFFFAOYSA-N 0 0 341.289 3.491 10 5 EGBERN COc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000518930698 458899981 /nfs/dbraw/zinc/89/99/81/458899981.db2.gz BVDIZGDPXQECGB-HXPMCKFVSA-N 0 0 340.379 3.196 10 5 EGBERN COc1cc2nc(C)sc2cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628693 458948383 /nfs/dbraw/zinc/94/83/83/458948383.db2.gz IQDOUFUCYAODRO-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN CCOC(=O)c1cc(NCC2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000467773876 458986074 /nfs/dbraw/zinc/98/60/74/458986074.db2.gz ZJOVILLNZUJQPP-UHFFFAOYSA-N 0 0 336.388 3.389 10 5 EGBERN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887416 458995627 /nfs/dbraw/zinc/99/56/27/458995627.db2.gz FYNKNEZMPJKPIC-ZDUSSCGKSA-N 0 0 343.383 3.406 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442687603 459023208 /nfs/dbraw/zinc/02/32/08/459023208.db2.gz NEJSBHQHKOSKAS-BXKDBHETSA-N 0 0 339.298 3.258 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2[C@H]2CCCOC2)cc(C)c1[N+](=O)[O-] ZINC000566971796 459029355 /nfs/dbraw/zinc/02/93/55/459029355.db2.gz PFIGRCLKSFIWRS-XJKSGUPXSA-N 0 0 348.399 3.085 10 5 EGBERN O=C(Nc1cnccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137035 459035035 /nfs/dbraw/zinc/03/50/35/459035035.db2.gz SQMATBAIUFYILB-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CC(C)[C@](C)(CO)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000567151464 459054611 /nfs/dbraw/zinc/05/46/11/459054611.db2.gz NXQKCGQPKHJYNB-KRWDZBQOSA-N 0 0 337.420 3.421 10 5 EGBERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000532381032 459078054 /nfs/dbraw/zinc/07/80/54/459078054.db2.gz PJGDXTLSDYMBAA-ZDUSSCGKSA-N 0 0 348.399 3.179 10 5 EGBERN CC(F)(F)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000590084349 459080388 /nfs/dbraw/zinc/08/03/88/459080388.db2.gz QHHXSBCCHLQAMC-UHFFFAOYSA-N 0 0 337.326 3.393 10 5 EGBERN Nc1c(F)c(N[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594601087 459106594 /nfs/dbraw/zinc/10/65/94/459106594.db2.gz JDOOKJCCMIJTOX-GMSGAONNSA-N 0 0 337.273 3.228 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1F ZINC000590323194 459114930 /nfs/dbraw/zinc/11/49/30/459114930.db2.gz FSEZAEVJUIJOHF-UFBFGSQYSA-N 0 0 334.269 3.434 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590557163 459148113 /nfs/dbraw/zinc/14/81/13/459148113.db2.gz RWWIMISNEMYXEX-QGZVFWFLSA-N 0 0 342.326 3.280 10 5 EGBERN Cc1c(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000590557019 459148240 /nfs/dbraw/zinc/14/82/40/459148240.db2.gz USDCNDUJGYTZRP-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN CC(C)O[C@]1(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCOC1 ZINC000594905638 459171249 /nfs/dbraw/zinc/17/12/49/459171249.db2.gz ZUOPFBHFCRQIFQ-KRWDZBQOSA-N 0 0 331.372 3.042 10 5 EGBERN C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957415 459192743 /nfs/dbraw/zinc/19/27/43/459192743.db2.gz OIJJNVQTRXHBNQ-SMDDNHRTSA-N 0 0 339.355 3.242 10 5 EGBERN Nc1cc(N2CCC[C@H]2c2ccc(F)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000590736777 459199727 /nfs/dbraw/zinc/19/97/27/459199727.db2.gz DSWKXIRBKXUWKG-INIZCTEOSA-N 0 0 349.337 3.289 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2c1c(F)ccc2F ZINC000559289783 459249548 /nfs/dbraw/zinc/24/95/48/459249548.db2.gz NIBRZLROQZVJLX-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000533706882 459263546 /nfs/dbraw/zinc/26/35/46/459263546.db2.gz IATYGXJZQZAHEK-UHFFFAOYSA-N 0 0 345.786 3.451 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000559544449 459265400 /nfs/dbraw/zinc/26/54/00/459265400.db2.gz MSFCJGHVFZYSLI-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN Cc1n[nH]cc1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000568385359 459279201 /nfs/dbraw/zinc/27/92/01/459279201.db2.gz BXOIKJXIRKRCHL-UHFFFAOYSA-N 0 0 341.415 3.284 10 5 EGBERN CC(C)[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000595427544 459298003 /nfs/dbraw/zinc/29/80/03/459298003.db2.gz ZKLIQSZCYCCIHI-INIZCTEOSA-N 0 0 343.362 3.264 10 5 EGBERN CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000595477458 459316595 /nfs/dbraw/zinc/31/65/95/459316595.db2.gz TXZYYLWKPMXMQX-UHFFFAOYSA-N 0 0 333.310 3.373 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](CO)c2ccc(F)cc2)ccc2ncccc21 ZINC000560328748 459322843 /nfs/dbraw/zinc/32/28/43/459322843.db2.gz POIKEJPBGLWBKI-INIZCTEOSA-N 0 0 327.315 3.428 10 5 EGBERN C[C@@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000595584217 459355357 /nfs/dbraw/zinc/35/53/57/459355357.db2.gz BZTRGRFVFOUNAB-ZDUSSCGKSA-N 0 0 347.749 3.135 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cccc(Br)c1 ZINC000484003230 459400955 /nfs/dbraw/zinc/40/09/55/459400955.db2.gz IJVYLLZLUKQKHD-UHFFFAOYSA-N 0 0 343.564 3.221 10 5 EGBERN O=C(Nc1ccc2c(Cl)cccc2n1)c1ccc([N+](=O)[O-])cn1 ZINC000561036194 459413797 /nfs/dbraw/zinc/41/37/97/459413797.db2.gz YZVXMCWRFKLSLH-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484563897 459420443 /nfs/dbraw/zinc/42/04/43/459420443.db2.gz FBMWTHMBPIEVLZ-BEFAXECRSA-N 0 0 342.395 3.436 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCOC[C@H]1c1cccc(F)c1 ZINC000595761893 459429568 /nfs/dbraw/zinc/42/95/68/459429568.db2.gz YEZOMOCSPGQXQX-KRWDZBQOSA-N 0 0 346.358 3.186 10 5 EGBERN CSc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000541277026 459438170 /nfs/dbraw/zinc/43/81/70/459438170.db2.gz FGCYXJJMLLCOET-UHFFFAOYSA-N 0 0 325.296 3.242 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000595799531 459446003 /nfs/dbraw/zinc/44/60/03/459446003.db2.gz MIUSPUNUIIOFKE-ZDUSSCGKSA-N 0 0 341.358 3.070 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595808650 459448766 /nfs/dbraw/zinc/44/87/66/459448766.db2.gz OQENAKFYYMLLIL-NSHDSACASA-N 0 0 326.343 3.407 10 5 EGBERN CCOC(=O)Cc1ccc(NCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000591901767 459474144 /nfs/dbraw/zinc/47/41/44/459474144.db2.gz ZETMYFUQIHZLTQ-UHFFFAOYSA-N 0 0 329.356 3.016 10 5 EGBERN CCOC1CC2(C1)CCN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC000591943329 459493115 /nfs/dbraw/zinc/49/31/15/459493115.db2.gz CUGNFHQOFMBYPB-UHFFFAOYSA-N 0 0 331.416 3.264 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596006807 459494937 /nfs/dbraw/zinc/49/49/37/459494937.db2.gz HTYHAHXHNQBQCS-UHFFFAOYSA-N 0 0 342.399 3.159 10 5 EGBERN CN1CCO[C@H](CSc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000591953765 459495743 /nfs/dbraw/zinc/49/57/43/459495743.db2.gz QOYKQTOEFQZWAH-VIFPVBQESA-N 0 0 337.228 3.324 10 5 EGBERN CCC[C@@H](CC)S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596021461 459497381 /nfs/dbraw/zinc/49/73/81/459497381.db2.gz PRDWQJXYMCWWFN-SECBINFHSA-N 0 0 335.813 3.151 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](OC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000591975489 459501876 /nfs/dbraw/zinc/50/18/76/459501876.db2.gz NOXFZZPIIIVZQZ-HZPDHXFCSA-N 0 0 335.404 3.255 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000591974456 459502144 /nfs/dbraw/zinc/50/21/44/459502144.db2.gz IORIRUCAPLGZLF-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN O=C(c1ccccc1)N1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000596060823 459504913 /nfs/dbraw/zinc/50/49/13/459504913.db2.gz KFTZXQOFNXXMTM-UHFFFAOYSA-N 0 0 331.397 3.373 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@@H]2CCCC[C@H]21 ZINC000583231416 459505191 /nfs/dbraw/zinc/50/51/91/459505191.db2.gz LZNBJBRHHGPTTJ-UHOFOFEASA-N 0 0 341.415 3.405 10 5 EGBERN COc1cc(NCCOCC(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596071660 459508823 /nfs/dbraw/zinc/50/88/23/459508823.db2.gz QKPBPHDBQHUJCN-UHFFFAOYSA-N 0 0 328.674 3.248 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3C)C2)n1 ZINC000541934387 459512325 /nfs/dbraw/zinc/51/23/25/459512325.db2.gz KUYHVDXJBMPYDL-INIZCTEOSA-N 0 0 327.384 3.493 10 5 EGBERN Cc1ccccc1C[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000525968732 459522784 /nfs/dbraw/zinc/52/27/84/459522784.db2.gz LEWBAOLPZXLQMV-HNNXBMFYSA-N 0 0 337.379 3.467 10 5 EGBERN O=C1NCCC[C@@H]1Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000486998995 459524589 /nfs/dbraw/zinc/52/45/89/459524589.db2.gz OYIRMCSVYNBUAP-INIZCTEOSA-N 0 0 348.431 3.406 10 5 EGBERN O=[N+]([O-])c1cc(N2CC[C@](O)(C(F)(F)F)C2)ccc1C(F)(F)F ZINC000596134960 459532477 /nfs/dbraw/zinc/53/24/77/459532477.db2.gz BPCBSFMQVILICH-SNVBAGLBSA-N 0 0 344.211 3.117 10 5 EGBERN COc1ccc(CNC2(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000592143450 459536161 /nfs/dbraw/zinc/53/61/61/459536161.db2.gz ZXEQXWLBGIPVCB-UHFFFAOYSA-N 0 0 328.368 3.391 10 5 EGBERN COc1cc(N2CCO[C@H](c3ccco3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156992 459541020 /nfs/dbraw/zinc/54/10/20/459541020.db2.gz VXQNXKRQETWGPO-HNNXBMFYSA-N 0 0 338.747 3.428 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000596160976 459543899 /nfs/dbraw/zinc/54/38/99/459543899.db2.gz QOMAFZGHGDOCRE-SECBINFHSA-N 0 0 342.779 3.262 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCC1CC1)CC1CC1 ZINC000596180584 459550927 /nfs/dbraw/zinc/55/09/27/459550927.db2.gz RHAZDWAUHBTPLH-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN CNC(=O)C1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596197559 459557361 /nfs/dbraw/zinc/55/73/61/459557361.db2.gz FNTOYSHENANOQR-UHFFFAOYSA-N 0 0 345.321 3.330 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592252131 459560072 /nfs/dbraw/zinc/56/00/72/459560072.db2.gz SAHLHAHHNQPIFH-INIZCTEOSA-N 0 0 347.415 3.378 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000592259043 459562264 /nfs/dbraw/zinc/56/22/64/459562264.db2.gz YRLJKZHDHGFMAC-MRXNPFEDSA-N 0 0 339.392 3.056 10 5 EGBERN COc1cc(N2CC=C(c3ccnn3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596231281 459568433 /nfs/dbraw/zinc/56/84/33/459568433.db2.gz PHPSDQQKGNZLRW-UHFFFAOYSA-N 0 0 348.790 3.284 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3ccccn3)C2)s1 ZINC000596306315 459590893 /nfs/dbraw/zinc/59/08/93/459590893.db2.gz OSYUEGKGERNLQJ-NSHDSACASA-N 0 0 341.396 3.379 10 5 EGBERN COc1ccc(CN2C(=O)CC(C3CCCC3)CC2=O)cc1[N+](=O)[O-] ZINC000596306766 459590993 /nfs/dbraw/zinc/59/09/93/459590993.db2.gz HYSIAFTWOFHOQS-UHFFFAOYSA-N 0 0 346.383 3.059 10 5 EGBERN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccn1 ZINC000596313634 459593809 /nfs/dbraw/zinc/59/38/09/459593809.db2.gz RYMYMXFEEJEKBQ-NSHDSACASA-N 0 0 326.356 3.090 10 5 EGBERN CO[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000596319682 459594845 /nfs/dbraw/zinc/59/48/45/459594845.db2.gz ZPDDNSNUDQNCMT-PELKAZGASA-N 0 0 335.187 3.365 10 5 EGBERN CO[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000596319683 459595140 /nfs/dbraw/zinc/59/51/40/459595140.db2.gz ZPDDNSNUDQNCMT-PRHODGIISA-N 0 0 335.187 3.365 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c2ncnn21 ZINC000596347498 459603781 /nfs/dbraw/zinc/60/37/81/459603781.db2.gz XDWXETVXAXBRAV-ZYHUDNBSSA-N 0 0 331.376 3.482 10 5 EGBERN O=C(NCC(C1CC1)C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542874622 459605522 /nfs/dbraw/zinc/60/55/22/459605522.db2.gz MTWWMQWSCUXQPP-UHFFFAOYSA-N 0 0 340.326 3.362 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596369142 459610798 /nfs/dbraw/zinc/61/07/98/459610798.db2.gz OAQZEBVHBLWIKS-MPKXVKKWSA-N 0 0 328.796 3.226 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000543047959 459618901 /nfs/dbraw/zinc/61/89/01/459618901.db2.gz JVKPKLGCNTWSGN-ZDUSSCGKSA-N 0 0 325.368 3.424 10 5 EGBERN CC(C)n1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cn1 ZINC000583954213 459625191 /nfs/dbraw/zinc/62/51/91/459625191.db2.gz RLYPGAMVMRBDFT-UHFFFAOYSA-N 0 0 340.286 3.226 10 5 EGBERN COc1cc(NCc2c(OC)cccc2OC)c([N+](=O)[O-])cc1F ZINC000596416529 459630345 /nfs/dbraw/zinc/63/03/45/459630345.db2.gz SIBDIWXEXGROEP-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596429671 459634820 /nfs/dbraw/zinc/63/48/20/459634820.db2.gz ZGDFEXYJHRGSQS-UHFFFAOYSA-N 0 0 333.388 3.101 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cn1 ZINC000596442626 459637469 /nfs/dbraw/zinc/63/74/69/459637469.db2.gz IUTSVKGRDGHKLF-SNVBAGLBSA-N 0 0 339.277 3.140 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000596442735 459637874 /nfs/dbraw/zinc/63/78/74/459637874.db2.gz UCIZZCOKICKQMV-UHFFFAOYSA-N 0 0 335.404 3.030 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596445594 459639146 /nfs/dbraw/zinc/63/91/46/459639146.db2.gz BGBVYHKUYUXNID-NSHDSACASA-N 0 0 325.340 3.061 10 5 EGBERN Cc1cnc(N2CC3(CCOCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000596446788 459639935 /nfs/dbraw/zinc/63/99/35/459639935.db2.gz OAHQVVSNXCYKMX-HNNXBMFYSA-N 0 0 329.356 3.249 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2cccnc2[N+](=O)[O-])cn1 ZINC000596448078 459639966 /nfs/dbraw/zinc/63/99/66/459639966.db2.gz ZCNLIOHHPNOIKZ-UHFFFAOYSA-N 0 0 347.375 3.007 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000596472400 459649268 /nfs/dbraw/zinc/64/92/68/459649268.db2.gz ACKCCAMPQYKNHZ-JSGCOSHPSA-N 0 0 335.404 3.103 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000596480049 459651008 /nfs/dbraw/zinc/65/10/08/459651008.db2.gz YXSIKVOIMFERIB-ZJUUUORDSA-N 0 0 342.779 3.404 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000596481599 459651401 /nfs/dbraw/zinc/65/14/01/459651401.db2.gz CZFGDLYIMKLSII-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596482012 459652276 /nfs/dbraw/zinc/65/22/76/459652276.db2.gz CTVSDHKUBXTMFG-NSHDSACASA-N 0 0 337.351 3.299 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CC(F)F ZINC000592672587 459660954 /nfs/dbraw/zinc/66/09/54/459660954.db2.gz NFGVJAYVIZFBRR-SECBINFHSA-N 0 0 327.331 3.190 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC000596515553 459662746 /nfs/dbraw/zinc/66/27/46/459662746.db2.gz ZKKKYQLBDQHRMQ-LSDHHAIUSA-N 0 0 347.415 3.232 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596514480 459663236 /nfs/dbraw/zinc/66/32/36/459663236.db2.gz IDIBQZIZZPIBKB-LBPRGKRZSA-N 0 0 328.372 3.076 10 5 EGBERN O=[N+]([O-])c1c(NCC2(O)CCC(F)(F)CC2)ccc2ncccc21 ZINC000596527418 459666520 /nfs/dbraw/zinc/66/65/20/459666520.db2.gz DKULGVBFAVQNRT-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN C[C@H](O)[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596543091 459670842 /nfs/dbraw/zinc/67/08/42/459670842.db2.gz SWEXEKMXOJLMMM-DCGLDWPTSA-N 0 0 343.383 3.077 10 5 EGBERN CNC(=O)c1ccc(N(C)C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000596542830 459671356 /nfs/dbraw/zinc/67/13/56/459671356.db2.gz JKVAHYGHCNWJBY-OAHLLOKOSA-N 0 0 339.395 3.121 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555991 459675490 /nfs/dbraw/zinc/67/54/90/459675490.db2.gz WDSDBWOINTWGFE-HTQZYQBOSA-N 0 0 339.701 3.189 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@@H](CC(F)(F)F)C1)CCCC2 ZINC000596557789 459676082 /nfs/dbraw/zinc/67/60/82/459676082.db2.gz LJJABUOVLKJLOX-NSHDSACASA-N 0 0 345.321 3.026 10 5 EGBERN CCOc1cccc(N2C[C@]34COC[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC000596567836 459679094 /nfs/dbraw/zinc/67/90/94/459679094.db2.gz PYGHBHAXPHTNHX-HDICACEKSA-N 0 0 332.400 3.391 10 5 EGBERN COC(=O)c1cc(N[C@@H](c2ccccc2)[C@@H](C)O)cc(C)c1[N+](=O)[O-] ZINC000596567112 459679217 /nfs/dbraw/zinc/67/92/17/459679217.db2.gz OUDBRAMKSRURNQ-MLGOLLRUSA-N 0 0 344.367 3.224 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000592736435 459679625 /nfs/dbraw/zinc/67/96/25/459679625.db2.gz RSHUYDMPHAYNMM-INTQDDNPSA-N 0 0 326.299 3.115 10 5 EGBERN CCOc1cccc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000596572157 459681268 /nfs/dbraw/zinc/68/12/68/459681268.db2.gz CIWJBSRVNGNXPL-MEBBXXQBSA-N 0 0 330.331 3.242 10 5 EGBERN Cc1ccoc1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000596603852 459694422 /nfs/dbraw/zinc/69/44/22/459694422.db2.gz ZBEPAOVRRXMHFQ-UHFFFAOYSA-N 0 0 340.339 3.495 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(Cc3cscn3)n2)c2c1NCCC2 ZINC000596603828 459694547 /nfs/dbraw/zinc/69/45/47/459694547.db2.gz YPANDSDWTWAIIL-UHFFFAOYSA-N 0 0 343.368 3.050 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000563032779 459701155 /nfs/dbraw/zinc/70/11/55/459701155.db2.gz AWHSZONAANIAPZ-CHWSQXEVSA-N 0 0 344.415 3.449 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000596636855 459708107 /nfs/dbraw/zinc/70/81/07/459708107.db2.gz WWJWZHWBAVTAGD-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN CC(C)[C@H]1N(C(=O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592903655 459718345 /nfs/dbraw/zinc/71/83/45/459718345.db2.gz XCJZJEGNGXQLPI-QGZVFWFLSA-N 0 0 330.384 3.177 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000584370578 459720577 /nfs/dbraw/zinc/72/05/77/459720577.db2.gz XLORCTJTQXNWQZ-UHFFFAOYSA-N 0 0 326.299 3.212 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596678640 459725133 /nfs/dbraw/zinc/72/51/33/459725133.db2.gz FFKPIFQKUZWJIQ-OAHLLOKOSA-N 0 0 349.431 3.334 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000593017720 459740954 /nfs/dbraw/zinc/74/09/54/459740954.db2.gz JLTFIOPNGCSSCB-UHFFFAOYSA-N 0 0 346.358 3.122 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(c3ccccc3)CC2)c1 ZINC000593021373 459742304 /nfs/dbraw/zinc/74/23/04/459742304.db2.gz WITZPWINQFAGCQ-UHFFFAOYSA-N 0 0 326.352 3.160 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000596823501 459771536 /nfs/dbraw/zinc/77/15/36/459771536.db2.gz QEOYOHDBTWMICZ-WFASDCNBSA-N 0 0 335.404 3.087 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC2(C)CCCC2)cc1[N+](=O)[O-] ZINC000574125554 459781399 /nfs/dbraw/zinc/78/13/99/459781399.db2.gz YCGCRWUGPPWJRX-UHFFFAOYSA-N 0 0 347.415 3.280 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593134305 459784024 /nfs/dbraw/zinc/78/40/24/459784024.db2.gz KNPPDLUXIREZRP-JOYOIKCWSA-N 0 0 348.296 3.466 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CC1(F)F ZINC000596890032 459788266 /nfs/dbraw/zinc/78/82/66/459788266.db2.gz IKSQOBJKHVGOIE-CYBMUJFWSA-N 0 0 329.303 3.160 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2nc(C3CC3)no2)c1 ZINC000593187871 459800832 /nfs/dbraw/zinc/80/08/32/459800832.db2.gz UYCKHKBOGBTRJN-UHFFFAOYSA-N 0 0 349.368 3.075 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cccc(OC)n2)c1 ZINC000593191689 459802006 /nfs/dbraw/zinc/80/20/06/459802006.db2.gz DPBZDDFIGPKKFZ-UHFFFAOYSA-N 0 0 348.380 3.218 10 5 EGBERN COCC[C@H](COC)Nc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574285136 459802486 /nfs/dbraw/zinc/80/24/86/459802486.db2.gz QCMPVGQLMUGKLE-SNVBAGLBSA-N 0 0 336.310 3.385 10 5 EGBERN COc1cc(F)c(OCCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000593241498 459817875 /nfs/dbraw/zinc/81/78/75/459817875.db2.gz NYMYKYJYGRQDOG-UHFFFAOYSA-N 0 0 337.303 3.209 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CC1)C1CCOCC1 ZINC000593251128 459821096 /nfs/dbraw/zinc/82/10/96/459821096.db2.gz MLZIVIUARYOMNT-HNNXBMFYSA-N 0 0 337.351 3.061 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593279662 459828163 /nfs/dbraw/zinc/82/81/63/459828163.db2.gz VEQRSUFDDRBKFN-QGZVFWFLSA-N 0 0 346.427 3.455 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCCOC1 ZINC000593294764 459831860 /nfs/dbraw/zinc/83/18/60/459831860.db2.gz IWAIQJWRXZNVCN-DOTOQJQBSA-N 0 0 334.416 3.191 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CCc2ccccc2C1 ZINC000545483984 459835190 /nfs/dbraw/zinc/83/51/90/459835190.db2.gz WZEKIZQGNKPIOQ-CYBMUJFWSA-N 0 0 335.363 3.110 10 5 EGBERN CO[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)(C)C ZINC000597105912 459837367 /nfs/dbraw/zinc/83/73/67/459837367.db2.gz ZNHGSVMQYIKJTI-NSHDSACASA-N 0 0 344.799 3.013 10 5 EGBERN CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103882 459837564 /nfs/dbraw/zinc/83/75/64/459837564.db2.gz LUZFSVQFAYJBAK-PSASIEDQSA-N 0 0 326.784 3.483 10 5 EGBERN CCc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000593314184 459837889 /nfs/dbraw/zinc/83/78/89/459837889.db2.gz AUSGPOMCEUWIPI-UHFFFAOYSA-N 0 0 343.383 3.165 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2c(C)cc(C)cc21 ZINC000593314005 459837942 /nfs/dbraw/zinc/83/79/42/459837942.db2.gz CXRIISOJLINFNN-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOc2ncccc2C1 ZINC000585803936 459851180 /nfs/dbraw/zinc/85/11/80/459851180.db2.gz QUVKRXKEVZIFBP-UHFFFAOYSA-N 0 0 342.355 3.033 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598297656 459852819 /nfs/dbraw/zinc/85/28/19/459852819.db2.gz RJROVTVNFYZWSX-CVEARBPZSA-N 0 0 346.427 3.380 10 5 EGBERN CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585808441 459853672 /nfs/dbraw/zinc/85/36/72/459853672.db2.gz LNTROGJDMDHRFX-HNNXBMFYSA-N 0 0 335.404 3.127 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000593369652 459868898 /nfs/dbraw/zinc/86/88/98/459868898.db2.gz FCLQQQKIJRUJAF-RCBQFDQVSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598345509 459872633 /nfs/dbraw/zinc/87/26/33/459872633.db2.gz DVZZIGMANZDYKZ-JKSUJKDBSA-N 0 0 348.424 3.453 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598349058 459875284 /nfs/dbraw/zinc/87/52/84/459875284.db2.gz KQJXOWZYWQUONP-IRXDYDNUSA-N 0 0 346.358 3.222 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598351202 459876420 /nfs/dbraw/zinc/87/64/20/459876420.db2.gz NFZBEWSARBJJHV-IAGOWNOFSA-N 0 0 328.368 3.083 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598354628 459877185 /nfs/dbraw/zinc/87/71/85/459877185.db2.gz YAFVRYOGASZOFP-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@H](c2ccccc2C)C1 ZINC000574822150 459877611 /nfs/dbraw/zinc/87/76/11/459877611.db2.gz CJBNUFJYWQRJJJ-KRWDZBQOSA-N 0 0 328.368 3.490 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598355966 459878079 /nfs/dbraw/zinc/87/80/79/459878079.db2.gz XVRFVQNFZBULQG-GFCCVEGCSA-N 0 0 343.383 3.250 10 5 EGBERN CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000598382315 459884094 /nfs/dbraw/zinc/88/40/94/459884094.db2.gz YQHNSOPECHUWPD-GOSISDBHSA-N 0 0 345.443 3.362 10 5 EGBERN CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598382631 459884532 /nfs/dbraw/zinc/88/45/32/459884532.db2.gz YOCUTUKJNRGNPX-MRXNPFEDSA-N 0 0 329.356 3.013 10 5 EGBERN Cc1ccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245536 459894722 /nfs/dbraw/zinc/89/47/22/459894722.db2.gz ZOKPXEPHKWWUQM-YPMHNXCESA-N 0 0 332.322 3.445 10 5 EGBERN Nc1cc(NCCCCCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587829784 459894923 /nfs/dbraw/zinc/89/49/23/459894923.db2.gz OOABRDBWHLKWRX-UHFFFAOYSA-N 0 0 329.400 3.494 10 5 EGBERN Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000608973254 459897965 /nfs/dbraw/zinc/89/79/65/459897965.db2.gz CRTMPSIEWREHKP-CYBMUJFWSA-N 0 0 346.818 3.312 10 5 EGBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@@H]1c1ccccc1 ZINC000587985925 459898177 /nfs/dbraw/zinc/89/81/77/459898177.db2.gz JBBHRRJVAXKXMD-GUYCJALGSA-N 0 0 341.411 3.299 10 5 EGBERN Nc1cc(N2CCC(c3ccccc3F)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587981403 459898303 /nfs/dbraw/zinc/89/83/03/459898303.db2.gz FMQWXIGMZRZDJF-UHFFFAOYSA-N 0 0 345.374 3.192 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587994018 459899928 /nfs/dbraw/zinc/89/99/28/459899928.db2.gz KDLLBBRGXBXCRA-LRDDRELGSA-N 0 0 327.384 3.052 10 5 EGBERN Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000598456108 459902639 /nfs/dbraw/zinc/90/26/39/459902639.db2.gz HVJVCPBYBLBCLV-USXIJHARSA-N 0 0 326.327 3.110 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000598452687 459902664 /nfs/dbraw/zinc/90/26/64/459902664.db2.gz AKXYBCHXQHCMTQ-RYUDHWBXSA-N 0 0 338.429 3.007 10 5 EGBERN CCc1nn(C)c(N2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593483150 459902967 /nfs/dbraw/zinc/90/29/67/459902967.db2.gz YYDPJQIVZGJMPO-QGZVFWFLSA-N 0 0 332.379 3.198 10 5 EGBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC000597277560 459903078 /nfs/dbraw/zinc/90/30/78/459903078.db2.gz CQFFWXHEKVJIFJ-HNNXBMFYSA-N 0 0 341.415 3.407 10 5 EGBERN C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000597282432 459903666 /nfs/dbraw/zinc/90/36/66/459903666.db2.gz OROVAYRVONQSSU-YOEHRIQHSA-N 0 0 334.416 3.239 10 5 EGBERN CCc1nn(C)c(NCCO[C@@H](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000593487673 459904214 /nfs/dbraw/zinc/90/42/14/459904214.db2.gz AEVZBVIHORGQED-HNNXBMFYSA-N 0 0 332.404 3.471 10 5 EGBERN CCOc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1C ZINC000598467137 459904516 /nfs/dbraw/zinc/90/45/16/459904516.db2.gz QUOUEWYVKGSGGE-UHFFFAOYSA-N 0 0 329.356 3.268 10 5 EGBERN CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598503891 459923696 /nfs/dbraw/zinc/92/36/96/459923696.db2.gz BEASCEREPQVFIP-UHFFFAOYSA-N 0 0 327.178 3.276 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588042569 459905462 /nfs/dbraw/zinc/90/54/62/459905462.db2.gz VTXJSEKCBCQBMU-GOSISDBHSA-N 0 0 345.374 3.053 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)nc1C ZINC000598469303 459905845 /nfs/dbraw/zinc/90/58/45/459905845.db2.gz PSBFPOWPENGXBR-UHFFFAOYSA-N 0 0 345.355 3.266 10 5 EGBERN CO[C@@H]1[C@H]2C[C@H]3CN(c4ccc5ncccc5c4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000588068903 459908399 /nfs/dbraw/zinc/90/83/99/459908399.db2.gz MXORYNMNMJBCBH-RRGUEFANSA-N 0 0 325.368 3.003 10 5 EGBERN CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537740 459917919 /nfs/dbraw/zinc/91/79/19/459917919.db2.gz JBOYGMUBPKQDKD-HNNXBMFYSA-N 0 0 349.412 3.152 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC1(F)F ZINC000588180160 459926028 /nfs/dbraw/zinc/92/60/28/459926028.db2.gz KPXVOHGXDXJASZ-QPUJVOFHSA-N 0 0 348.733 3.320 10 5 EGBERN CC(C)(NC(=O)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000597359618 459928804 /nfs/dbraw/zinc/92/88/04/459928804.db2.gz CRWDQSCCBPFFBS-UHFFFAOYSA-N 0 0 333.775 3.237 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598540616 459933533 /nfs/dbraw/zinc/93/35/33/459933533.db2.gz QWAURHVAYQMQJJ-CXAGYDPISA-N 0 0 342.395 3.111 10 5 EGBERN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC1(F)F ZINC000588232732 459935150 /nfs/dbraw/zinc/93/51/50/459935150.db2.gz ZPQHPXYSOBTHBQ-MFKMUULPSA-N 0 0 327.331 3.089 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000598567847 459941241 /nfs/dbraw/zinc/94/12/41/459941241.db2.gz HFAKRBRRJQRJHF-ZBEGNZNMSA-N 0 0 342.342 3.096 10 5 EGBERN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C[C@H]1C ZINC000597409154 459943405 /nfs/dbraw/zinc/94/34/05/459943405.db2.gz RFNBRXGZSPAUQH-BETUJISGSA-N 0 0 341.415 3.356 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCO2 ZINC000598573252 459944324 /nfs/dbraw/zinc/94/43/24/459944324.db2.gz BQIMUWRPTQFXML-SNVBAGLBSA-N 0 0 332.381 3.472 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000598579387 459949659 /nfs/dbraw/zinc/94/96/59/459949659.db2.gz WRZFWFROHKXGAG-IBGZPJMESA-N 0 0 339.395 3.396 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC1(F)F ZINC000588650215 459959509 /nfs/dbraw/zinc/95/95/09/459959509.db2.gz MXNLVUGDKWFKLI-GFCCVEGCSA-N 0 0 347.749 3.278 10 5 EGBERN COC(=O)c1ccnc(N[C@@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000598598604 459959784 /nfs/dbraw/zinc/95/97/84/459959784.db2.gz CRSPVWLIAVPXFI-JTQLQIEISA-N 0 0 333.344 3.111 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614287 459963316 /nfs/dbraw/zinc/96/33/16/459963316.db2.gz CDNVRJJEMXMVMQ-GFCCVEGCSA-N 0 0 338.429 3.165 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000593727683 459965555 /nfs/dbraw/zinc/96/55/55/459965555.db2.gz QIEFKQQTFIEUGM-QGZVFWFLSA-N 0 0 347.802 3.100 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000593755877 459975905 /nfs/dbraw/zinc/97/59/05/459975905.db2.gz UHULLJKQPKNUSV-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000593761684 459977643 /nfs/dbraw/zinc/97/76/43/459977643.db2.gz NLESPSYJYUOFBD-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC(F)(F)C1 ZINC000593760890 459977670 /nfs/dbraw/zinc/97/76/70/459977670.db2.gz HTUYQROWKGIROO-UHFFFAOYSA-N 0 0 337.330 3.109 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000609543531 459979560 /nfs/dbraw/zinc/97/95/60/459979560.db2.gz SDJOFYNHNRGJPR-DIFFPNOSSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1ccc(COCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000598665468 459984508 /nfs/dbraw/zinc/98/45/08/459984508.db2.gz OHTLMORHYICNCZ-CQSZACIVSA-N 0 0 328.368 3.297 10 5 EGBERN Cc1cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000593804047 459990425 /nfs/dbraw/zinc/99/04/25/459990425.db2.gz XXPREZJFUPNSHW-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593809172 459991991 /nfs/dbraw/zinc/99/19/91/459991991.db2.gz GHPCEVSWNOKHJH-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN CC[C@H](NC(=O)c1cnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000598691850 459995586 /nfs/dbraw/zinc/99/55/86/459995586.db2.gz QFGRKFKURUEPAY-HNNXBMFYSA-N 0 0 342.399 3.399 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000597584159 460000795 /nfs/dbraw/zinc/00/07/95/460000795.db2.gz PZYSKSWAHUXMHH-URLYPYJESA-N 0 0 328.290 3.276 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593915338 460015238 /nfs/dbraw/zinc/01/52/38/460015238.db2.gz JAWULPHFDBARBB-OAHLLOKOSA-N 0 0 325.368 3.142 10 5 EGBERN CCCCCc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000597639705 460015369 /nfs/dbraw/zinc/01/53/69/460015369.db2.gz OOHVLGOTDOGAOU-UHFFFAOYSA-N 0 0 344.415 3.365 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cn1 ZINC000609797058 460020261 /nfs/dbraw/zinc/02/02/61/460020261.db2.gz VCFXUPRBDBOYBH-OAHLLOKOSA-N 0 0 347.378 3.416 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000597688869 460028232 /nfs/dbraw/zinc/02/82/32/460028232.db2.gz PNCWZCAZDRCWDL-CYBMUJFWSA-N 0 0 330.388 3.102 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000597725198 460040020 /nfs/dbraw/zinc/04/00/20/460040020.db2.gz SWIZOSADUWRURZ-BFYDXBDKSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000598801693 460040997 /nfs/dbraw/zinc/04/09/97/460040997.db2.gz NRJUMYLNFNWJNP-CVEARBPZSA-N 0 0 326.352 3.272 10 5 EGBERN O=C(c1ccccc1)[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000597728837 460041384 /nfs/dbraw/zinc/04/13/84/460041384.db2.gz YYAQMYHFVCTZTI-CYBMUJFWSA-N 0 0 330.365 3.144 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729700 460041859 /nfs/dbraw/zinc/04/18/59/460041859.db2.gz NIBALWAFWNVYEX-RHSMWYFYSA-N 0 0 342.399 3.250 10 5 EGBERN Cc1c(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000598802992 460041968 /nfs/dbraw/zinc/04/19/68/460041968.db2.gz LJKSMDLDDBXGNQ-CQSZACIVSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000610006496 460050688 /nfs/dbraw/zinc/05/06/88/460050688.db2.gz GZVFRFRPTNDZQQ-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598827195 460053780 /nfs/dbraw/zinc/05/37/80/460053780.db2.gz DYKZLAHRVIDPJQ-HZPDHXFCSA-N 0 0 326.352 3.272 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)c([N+](=O)[O-])c1 ZINC000598833725 460057939 /nfs/dbraw/zinc/05/79/39/460057939.db2.gz YYVSRBLUTYOXDP-RTXFEEFZSA-N 0 0 332.356 3.065 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCCSC ZINC000610131315 460067574 /nfs/dbraw/zinc/06/75/74/460067574.db2.gz NWOLIDJJOPKFEV-UHFFFAOYSA-N 0 0 330.381 3.466 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000610182211 460076443 /nfs/dbraw/zinc/07/64/43/460076443.db2.gz QNJGAUIQASNTAP-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN CCCc1nccnc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598875742 460079891 /nfs/dbraw/zinc/07/98/91/460079891.db2.gz PSIRQZZTQUHLND-UHFFFAOYSA-N 0 0 332.385 3.068 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC(OC)C1 ZINC000597861366 460082687 /nfs/dbraw/zinc/08/26/87/460082687.db2.gz KXEJVERFNNOONI-ISXOHVOVSA-N 0 0 334.416 3.095 10 5 EGBERN CC[C@H](c1ccccc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000598884784 460083914 /nfs/dbraw/zinc/08/39/14/460083914.db2.gz FIZOMXLWCFDXKJ-CQSZACIVSA-N 0 0 330.388 3.330 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594068790 460084425 /nfs/dbraw/zinc/08/44/25/460084425.db2.gz NNFADWCEIFDBAZ-RDJZCZTQSA-N 0 0 348.399 3.071 10 5 EGBERN C[C@H](C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594068325 460084450 /nfs/dbraw/zinc/08/44/50/460084450.db2.gz GBQMVEVKZHOEGX-ZLIFDBKOSA-N 0 0 332.400 3.162 10 5 EGBERN CC(C)CCc1nnc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000597868733 460087718 /nfs/dbraw/zinc/08/77/18/460087718.db2.gz CTWGTZXXIYVNMB-UHFFFAOYSA-N 0 0 338.364 3.426 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC1(F)F ZINC000598893564 460087902 /nfs/dbraw/zinc/08/79/02/460087902.db2.gz WBRQHNYIXVIFEZ-VIFPVBQESA-N 0 0 348.733 3.179 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598893378 460088036 /nfs/dbraw/zinc/08/80/36/460088036.db2.gz RGLVQINECBSWFB-ZETCQYMHSA-N 0 0 338.232 3.389 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594073927 460088101 /nfs/dbraw/zinc/08/81/01/460088101.db2.gz UWBZEFFXAVUADE-DLBZAZTESA-N 0 0 346.427 3.336 10 5 EGBERN Cc1nn(CCC(=O)N[C@H]2CCCC23CCCCC3)c(C)c1[N+](=O)[O-] ZINC000597874230 460090641 /nfs/dbraw/zinc/09/06/41/460090641.db2.gz NFDXTCLNAIMZHW-HNNXBMFYSA-N 0 0 348.447 3.417 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2cc(C)no2)c1 ZINC000589495947 460095872 /nfs/dbraw/zinc/09/58/72/460095872.db2.gz MLWDPKRDQBOOJQ-HNNXBMFYSA-N 0 0 345.355 3.015 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCc2cccnc21 ZINC000598945460 460098129 /nfs/dbraw/zinc/09/81/29/460098129.db2.gz IRMMPCUZVINTBF-SNVBAGLBSA-N 0 0 349.188 3.289 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cccc(C)c3C2)c1 ZINC000589515134 460098803 /nfs/dbraw/zinc/09/88/03/460098803.db2.gz DLQDMBMBNKIHFY-UHFFFAOYSA-N 0 0 340.379 3.248 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000598947679 460099414 /nfs/dbraw/zinc/09/94/14/460099414.db2.gz MPTZJUMIGWEWCJ-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594095615 460099734 /nfs/dbraw/zinc/09/97/34/460099734.db2.gz ZODDCAIJWLNZST-GOEBONIOSA-N 0 0 349.387 3.073 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598967050 460108869 /nfs/dbraw/zinc/10/88/69/460108869.db2.gz MKFBOMNFMUFACX-RDFMZFSFSA-N 0 0 347.415 3.491 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000597917509 460109865 /nfs/dbraw/zinc/10/98/65/460109865.db2.gz DRCQXZROBHQGQF-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597919018 460111568 /nfs/dbraw/zinc/11/15/68/460111568.db2.gz JQIQKTAIGZBIMO-ZDUSSCGKSA-N 0 0 346.358 3.169 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccn1)C1CCC1 ZINC000598978557 460112676 /nfs/dbraw/zinc/11/26/76/460112676.db2.gz HCWNYUAVSUVZES-KRWDZBQOSA-N 0 0 340.383 3.330 10 5 EGBERN CN(CC(=O)N1CCC(c2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000597924083 460114426 /nfs/dbraw/zinc/11/44/26/460114426.db2.gz FIZAJDAXUJQHIA-UHFFFAOYSA-N 0 0 343.383 3.030 10 5 EGBERN COc1ccc(C(=O)N2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000597922960 460114524 /nfs/dbraw/zinc/11/45/24/460114524.db2.gz PCJPNXKSQBWSET-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(C(C)C)cc3C2)n1 ZINC000597962287 460126140 /nfs/dbraw/zinc/12/61/40/460126140.db2.gz BGODQRGSHSVOPJ-UHFFFAOYSA-N 0 0 342.399 3.133 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000597979618 460134834 /nfs/dbraw/zinc/13/48/34/460134834.db2.gz OWECIGLGMFPZPR-GDNZZTSVSA-N 0 0 334.372 3.126 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594174601 460137664 /nfs/dbraw/zinc/13/76/64/460137664.db2.gz MSMPPZHNNAQENF-NSHDSACASA-N 0 0 326.343 3.468 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC000594180350 460138917 /nfs/dbraw/zinc/13/89/17/460138917.db2.gz ZGFVZODSMGDONX-GXTWGEPZSA-N 0 0 336.388 3.071 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](CC)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594183168 460140579 /nfs/dbraw/zinc/14/05/79/460140579.db2.gz UENQFAPULPPKDD-BBRMVZONSA-N 0 0 335.404 3.104 10 5 EGBERN COC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CCCCC1 ZINC000597997868 460141284 /nfs/dbraw/zinc/14/12/84/460141284.db2.gz CZKJWPZNJCJLFO-UHFFFAOYSA-N 0 0 348.399 3.160 10 5 EGBERN COC(=O)CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598004174 460142011 /nfs/dbraw/zinc/14/20/11/460142011.db2.gz OMJPTHSPKOWCQE-ZDUSSCGKSA-N 0 0 348.399 3.033 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ncc(Cl)s1 ZINC000589839688 460148151 /nfs/dbraw/zinc/14/81/51/460148151.db2.gz ZIQKAXDKLKPGDJ-UHFFFAOYSA-N 0 0 333.703 3.164 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000598038438 460151023 /nfs/dbraw/zinc/15/10/23/460151023.db2.gz CZAZVYFKXWNEAS-HNNXBMFYSA-N 0 0 344.371 3.231 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000598053707 460155452 /nfs/dbraw/zinc/15/54/52/460155452.db2.gz IDEZOWZLYLVDHO-GDBMZVCRSA-N 0 0 346.427 3.334 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594283101 460179386 /nfs/dbraw/zinc/17/93/86/460179386.db2.gz NYPQEFCWICCFDA-HOCLYGCPSA-N 0 0 335.404 3.084 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594283099 460179994 /nfs/dbraw/zinc/17/99/94/460179994.db2.gz NYPQEFCWICCFDA-GDBMZVCRSA-N 0 0 335.404 3.084 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594280937 460180086 /nfs/dbraw/zinc/18/00/86/460180086.db2.gz QLVQEAAWPSLKCE-IAGOWNOFSA-N 0 0 349.431 3.126 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)C(F)(F)F)n2)c1 ZINC000599154016 460180237 /nfs/dbraw/zinc/18/02/37/460180237.db2.gz NVOVEGKQTLUWNT-MRVPVSSYSA-N 0 0 345.277 3.318 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@@H]2CC=CCC2)s1 ZINC000599156260 460181156 /nfs/dbraw/zinc/18/11/56/460181156.db2.gz WPNJMBGNZXYHTG-SNVBAGLBSA-N 0 0 330.431 3.218 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000599166567 460183942 /nfs/dbraw/zinc/18/39/42/460183942.db2.gz ZNDREFQUFSDJHD-CMPLNLGQSA-N 0 0 333.369 3.114 10 5 EGBERN C[C@H](Sc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1 ZINC000599167418 460184054 /nfs/dbraw/zinc/18/40/54/460184054.db2.gz SDDRMWPUDCHDCS-LBPRGKRZSA-N 0 0 346.412 3.075 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000599178928 460188627 /nfs/dbraw/zinc/18/86/27/460188627.db2.gz CFWJBFHGOZPNKH-BXKDBHETSA-N 0 0 340.763 3.014 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599199313 460197311 /nfs/dbraw/zinc/19/73/11/460197311.db2.gz FKHLTZUDRDLEBW-JKSUJKDBSA-N 0 0 345.424 3.396 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203043 460198616 /nfs/dbraw/zinc/19/86/16/460198616.db2.gz XJROROTVXJTOBG-BYCRGOAPSA-N 0 0 344.458 3.242 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599209562 460199116 /nfs/dbraw/zinc/19/91/16/460199116.db2.gz NCYBFKXJDOZTKO-JLVBRIDZSA-N 0 0 331.416 3.215 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594388710 460201613 /nfs/dbraw/zinc/20/16/13/460201613.db2.gz PCXMZTWEQSYWCZ-UHFFFAOYSA-N 0 0 336.216 3.095 10 5 EGBERN C[C@@H](N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000576754097 460206014 /nfs/dbraw/zinc/20/60/14/460206014.db2.gz QRYNULVDDCUZEM-GFCCVEGCSA-N 0 0 344.415 3.449 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594399422 460206316 /nfs/dbraw/zinc/20/63/16/460206316.db2.gz UFHZJBFKYAPZJW-NVXWUHKLSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000598213505 460206591 /nfs/dbraw/zinc/20/65/91/460206591.db2.gz BWZJIIZOFPAQBP-MWLCHTKSSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1(F)F ZINC000598217220 460208218 /nfs/dbraw/zinc/20/82/18/460208218.db2.gz SJSDSIWBNPANKP-LLVKDONJSA-N 0 0 338.232 3.389 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CC1(F)F ZINC000598218117 460208772 /nfs/dbraw/zinc/20/87/72/460208772.db2.gz YNHVGJXBXONZIO-CYBMUJFWSA-N 0 0 330.356 3.482 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000598228401 460213799 /nfs/dbraw/zinc/21/37/99/460213799.db2.gz ICLOQTIXKZBVQB-KRWDZBQOSA-N 0 0 330.340 3.000 10 5 EGBERN CSc1ccc(C(=O)N2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610745077 460229951 /nfs/dbraw/zinc/22/99/51/460229951.db2.gz UFKUVXBFBMOQND-UHFFFAOYSA-N 0 0 334.319 3.341 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000610969333 460267455 /nfs/dbraw/zinc/26/74/55/460267455.db2.gz VYXOIVNCYJUBBD-UHFFFAOYSA-N 0 0 349.387 3.182 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3(C2)CC(F)(F)C3)c1 ZINC000610968320 460267565 /nfs/dbraw/zinc/26/75/65/460267565.db2.gz VPCSTZJUIQXXJO-UHFFFAOYSA-N 0 0 328.340 3.188 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000610978009 460269769 /nfs/dbraw/zinc/26/97/69/460269769.db2.gz CUGOSIHATKACJQ-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN COC(=O)[C@@](C)(NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599643766 460296375 /nfs/dbraw/zinc/29/63/75/460296375.db2.gz QQOUWAHPYNYIMR-IBGZPJMESA-N 0 0 342.395 3.205 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599657036 460299666 /nfs/dbraw/zinc/29/96/66/460299666.db2.gz BJUQYZXJZCDDDX-LBPRGKRZSA-N 0 0 346.362 3.038 10 5 EGBERN CCc1ccccc1CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599656980 460300278 /nfs/dbraw/zinc/30/02/78/460300278.db2.gz ZVPVAQBFLRWKSA-LJQANCHMSA-N 0 0 342.395 3.335 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(F)F)C1 ZINC000611179444 460302652 /nfs/dbraw/zinc/30/26/52/460302652.db2.gz CORXUFZLPKQOBT-GXSJLCMTSA-N 0 0 338.314 3.293 10 5 EGBERN CCNc1ccc(C(=O)Nc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000611230877 460312869 /nfs/dbraw/zinc/31/28/69/460312869.db2.gz ANSJZAAHHCLEQY-UHFFFAOYSA-N 0 0 332.385 3.396 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCCO1 ZINC000599831792 460343692 /nfs/dbraw/zinc/34/36/92/460343692.db2.gz AEJFYBKGTIKESQ-CJNGLKHVSA-N 0 0 344.371 3.222 10 5 EGBERN CCOC[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830986 460343706 /nfs/dbraw/zinc/34/37/06/460343706.db2.gz HVODXSJQDPQBKD-LBPRGKRZSA-N 0 0 344.371 3.033 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832818 460343870 /nfs/dbraw/zinc/34/38/70/460343870.db2.gz KKYQYQMRYPMUHE-INIZCTEOSA-N 0 0 344.371 3.032 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCC(F)(F)C1 ZINC000599831558 460344172 /nfs/dbraw/zinc/34/41/72/460344172.db2.gz OOUYWKCIFIGVOW-VIFPVBQESA-N 0 0 336.298 3.452 10 5 EGBERN C[C@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000599945956 460362253 /nfs/dbraw/zinc/36/22/53/460362253.db2.gz SHJPZBZFYSRJFH-SECBINFHSA-N 0 0 343.305 3.323 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000619549798 460380791 /nfs/dbraw/zinc/38/07/91/460380791.db2.gz QQDDHRSYWBEZJU-KGLIPLIRSA-N 0 0 347.415 3.197 10 5 EGBERN C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611512513 460383273 /nfs/dbraw/zinc/38/32/73/460383273.db2.gz GRSVHAHPZMTWPG-XJKSGUPXSA-N 0 0 337.395 3.307 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619573638 460386726 /nfs/dbraw/zinc/38/67/26/460386726.db2.gz IOFPUJJBRBDWHC-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1O ZINC000611524957 460387767 /nfs/dbraw/zinc/38/77/67/460387767.db2.gz COYXFJZAOPHCJZ-CZUORRHYSA-N 0 0 329.400 3.376 10 5 EGBERN CCn1nc(C)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000611527068 460388568 /nfs/dbraw/zinc/38/85/68/460388568.db2.gz AVVSQURGAROJDH-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000600149159 460407759 /nfs/dbraw/zinc/40/77/59/460407759.db2.gz VUNOCEJCJOHDDI-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611586101 460411023 /nfs/dbraw/zinc/41/10/23/460411023.db2.gz MDPDHSKMRWFQRT-QMMMGPOBSA-N 0 0 334.706 3.092 10 5 EGBERN Cc1cccc(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000611615601 460413765 /nfs/dbraw/zinc/41/37/65/460413765.db2.gz JEBWSFLUCRFFGU-UHFFFAOYSA-N 0 0 326.400 3.242 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2cn3cccc(C)c3n2)n1 ZINC000611616938 460414607 /nfs/dbraw/zinc/41/46/07/460414607.db2.gz QWCJIHDQRLAZFP-UHFFFAOYSA-N 0 0 325.372 3.217 10 5 EGBERN CCCOc1ccc(OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000619718869 460422568 /nfs/dbraw/zinc/42/25/68/460422568.db2.gz DYEZASXTSGGRJK-UHFFFAOYSA-N 0 0 344.367 3.425 10 5 EGBERN CC(C)c1ccc(CN[C@@](C)(CO)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000600181543 460425091 /nfs/dbraw/zinc/42/50/91/460425091.db2.gz TZCMJQFGJZIVPH-IBGZPJMESA-N 0 0 344.411 3.421 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(Cl)o1 ZINC000604479285 460431978 /nfs/dbraw/zinc/43/19/78/460431978.db2.gz RAEVRQSADDTNOD-UHFFFAOYSA-N 0 0 333.731 3.112 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705803 460433774 /nfs/dbraw/zinc/43/37/74/460433774.db2.gz BNJRPLLZXWHQJZ-LBPRGKRZSA-N 0 0 338.367 3.311 10 5 EGBERN CC[C@H](C)c1cccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000600198413 460434891 /nfs/dbraw/zinc/43/48/91/460434891.db2.gz YYHYVRLNQNUGMI-NSHDSACASA-N 0 0 328.372 3.219 10 5 EGBERN O=[N+]([O-])c1cccnc1N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000604556516 460446964 /nfs/dbraw/zinc/44/69/64/460446964.db2.gz UTJCKSGCNRTGPY-HNNXBMFYSA-N 0 0 347.378 3.416 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC000611764334 460455026 /nfs/dbraw/zinc/45/50/26/460455026.db2.gz WKKZHPYQMAHJOU-UHFFFAOYSA-N 0 0 335.367 3.182 10 5 EGBERN COc1c(C(=O)N[C@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000600300139 460466667 /nfs/dbraw/zinc/46/66/67/460466667.db2.gz YNQFVUXTGIMPEP-INIZCTEOSA-N 0 0 341.367 3.270 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600393162 460488650 /nfs/dbraw/zinc/48/86/50/460488650.db2.gz KVZDNWWJNODZAH-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN COc1cc(C(=O)NCC[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000600395241 460489120 /nfs/dbraw/zinc/48/91/20/460489120.db2.gz QAYMNBVHCMBWSB-GFCCVEGCSA-N 0 0 334.372 3.088 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000600478784 460503320 /nfs/dbraw/zinc/50/33/20/460503320.db2.gz RIHMUJUTTYKXNI-BMGDILEWSA-N 0 0 342.782 3.245 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2OC2CC2)cc1 ZINC000600526773 460513489 /nfs/dbraw/zinc/51/34/89/460513489.db2.gz LURXYZJAFWUREP-UHFFFAOYSA-N 0 0 333.365 3.110 10 5 EGBERN CCCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000600537745 460515364 /nfs/dbraw/zinc/51/53/64/460515364.db2.gz RQZBYQLPTNXGAW-UHFFFAOYSA-N 0 0 325.321 3.044 10 5 EGBERN COc1cc(C(=O)NC2(C)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000612063860 460525110 /nfs/dbraw/zinc/52/51/10/460525110.db2.gz LJFZXTTUCPNGJL-UHFFFAOYSA-N 0 0 328.315 3.301 10 5 EGBERN CCn1nc(C)cc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600605334 460542782 /nfs/dbraw/zinc/54/27/82/460542782.db2.gz MTPIFOBWRKMBHR-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CCCc1nc(C)c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)o1 ZINC000601167781 460739129 /nfs/dbraw/zinc/73/91/29/460739129.db2.gz DXBAHRKYYFSJJV-UHFFFAOYSA-N 0 0 347.297 3.208 10 5 EGBERN CCOC1(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCCC1 ZINC000601169229 460739614 /nfs/dbraw/zinc/73/96/14/460739614.db2.gz JMYVSQOVJUERSA-UHFFFAOYSA-N 0 0 336.314 3.108 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000601190370 460746013 /nfs/dbraw/zinc/74/60/13/460746013.db2.gz XAQITHFZXRAGAA-ZKCHVHJHSA-N 0 0 336.314 3.105 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1ccc2c(c1)CCOC2 ZINC000601195145 460747763 /nfs/dbraw/zinc/74/77/63/460747763.db2.gz FHOBJCVEWVUQOS-UHFFFAOYSA-N 0 0 342.277 3.163 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(Oc2cccc(F)c2)CC1 ZINC000601201036 460748762 /nfs/dbraw/zinc/74/87/62/460748762.db2.gz KZGUULMEZUGVEG-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](C(F)F)CC1 ZINC000601240814 460762763 /nfs/dbraw/zinc/76/27/63/460762763.db2.gz YADNNBDFAGWELU-NSHDSACASA-N 0 0 349.721 3.136 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CNc3ccccc32)C1 ZINC000601245585 460763905 /nfs/dbraw/zinc/76/39/05/460763905.db2.gz IQAKKELBSVHGMY-GOSISDBHSA-N 0 0 338.367 3.196 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4ccccc4n3)no2)nc1 ZINC000612894175 460765597 /nfs/dbraw/zinc/76/55/97/460765597.db2.gz WLIGMAFYCQGBBT-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN C[C@H]1CCn2cc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)nc2C1 ZINC000601353976 460793765 /nfs/dbraw/zinc/79/37/65/460793765.db2.gz UZUIPNWPEVCHGL-NSHDSACASA-N 0 0 339.355 3.014 10 5 EGBERN Cc1cnccc1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601372323 460798284 /nfs/dbraw/zinc/79/82/84/460798284.db2.gz VMTULXHVYNTHRH-UHFFFAOYSA-N 0 0 339.395 3.079 10 5 EGBERN C[C@@H]1CCn2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)nc2C1 ZINC000601372590 460798593 /nfs/dbraw/zinc/79/85/93/460798593.db2.gz CROVOCZLJUAFSH-MRVPVSSYSA-N 0 0 331.357 3.152 10 5 EGBERN CC(C)C1(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000601376313 460799344 /nfs/dbraw/zinc/79/93/44/460799344.db2.gz BCCBKGFFKOURPE-UHFFFAOYSA-N 0 0 338.429 3.078 10 5 EGBERN Cc1cccnc1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601613491 460847030 /nfs/dbraw/zinc/84/70/30/460847030.db2.gz XCVIUMKWATWGEN-UHFFFAOYSA-N 0 0 339.395 3.079 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000601655080 460858166 /nfs/dbraw/zinc/85/81/66/460858166.db2.gz FKRPEFQAYNQTHG-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2cccnc2)C1 ZINC000601658204 460859246 /nfs/dbraw/zinc/85/92/46/460859246.db2.gz KSYSDCOGVSVOBI-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)c1cccc(F)c1 ZINC000601704016 460876284 /nfs/dbraw/zinc/87/62/84/460876284.db2.gz ZOFLXJFPODOAGD-UHFFFAOYSA-N 0 0 329.331 3.494 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1NC1CC1 ZINC000601726865 460884483 /nfs/dbraw/zinc/88/44/83/460884483.db2.gz COLCHZQCPZWCFJ-UHFFFAOYSA-N 0 0 330.319 3.264 10 5 EGBERN Cc1ccc(C(=O)N2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000601743384 460887063 /nfs/dbraw/zinc/88/70/63/460887063.db2.gz PRANZJNMYXZTKG-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN CCC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000601745575 460888319 /nfs/dbraw/zinc/88/83/19/460888319.db2.gz ZGZLWWCWXAYFHN-UHFFFAOYSA-N 0 0 340.445 3.235 10 5 EGBERN COc1cc(C(=O)NCc2csc(C)c2C)c([N+](=O)[O-])cc1F ZINC000601745672 460888377 /nfs/dbraw/zinc/88/83/77/460888377.db2.gz FUPDBVAVELDRMK-UHFFFAOYSA-N 0 0 338.360 3.351 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)n1 ZINC000601796563 460901441 /nfs/dbraw/zinc/90/14/41/460901441.db2.gz PFTNOHCNNNZPDL-UHFFFAOYSA-N 0 0 348.790 3.403 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617854284 460999947 /nfs/dbraw/zinc/99/99/47/460999947.db2.gz VKJYQIJUISNVJR-SNVBAGLBSA-N 0 0 346.314 3.263 10 5 EGBERN COc1cccc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCO2)c1 ZINC000154215207 533734490 /nfs/dbraw/zinc/73/44/90/533734490.db2.gz DCJVIDACBMUONO-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000171376149 533861395 /nfs/dbraw/zinc/86/13/95/533861395.db2.gz DVSIHTSWDZEVDL-QMMMGPOBSA-N 0 0 347.343 3.165 10 5 EGBERN CS[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182305969 534032286 /nfs/dbraw/zinc/03/22/86/534032286.db2.gz HYWFRQBRDGKPGC-SSDOTTSWSA-N 0 0 333.207 3.437 10 5 EGBERN COCC[C@@H](COC)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000312854208 518071719 /nfs/dbraw/zinc/07/17/19/518071719.db2.gz QXLLUXKURABHFT-JTQLQIEISA-N 0 0 347.209 3.129 10 5 EGBERN Nc1c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000374779910 518197805 /nfs/dbraw/zinc/19/78/05/518197805.db2.gz MXXDXTJYYMSGJZ-KRWDZBQOSA-N 0 0 347.321 3.027 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1S[C@H]1CCCc2ccccc21 ZINC000160443273 534473071 /nfs/dbraw/zinc/47/30/71/534473071.db2.gz BPBOWNJPFZFRAL-AWEZNQCLSA-N 0 0 329.381 3.258 10 5 EGBERN O=C(CSC1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130711925 534658245 /nfs/dbraw/zinc/65/82/45/534658245.db2.gz JBNIYJBGBNGXDX-UHFFFAOYSA-N 0 0 330.793 3.099 10 5 EGBERN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000341255366 534689870 /nfs/dbraw/zinc/68/98/70/534689870.db2.gz FNHZWCBKQUJKCU-JTQLQIEISA-N 0 0 345.330 3.183 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174873527 534721456 /nfs/dbraw/zinc/72/14/56/534721456.db2.gz CMTRNIDPIODGAX-UONOGXRCSA-N 0 0 346.408 3.385 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000363365095 525121709 /nfs/dbraw/zinc/12/17/09/525121709.db2.gz FOKUQCTXCDIEPH-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000176952943 526522226 /nfs/dbraw/zinc/52/22/26/526522226.db2.gz PZWIRQDNFVCECK-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1scnc1C ZINC000183866156 527526415 /nfs/dbraw/zinc/52/64/15/527526415.db2.gz LHPHBVYCPAWOOQ-DHZHZOJOSA-N 0 0 331.397 3.422 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)COCC2 ZINC000183714400 527527661 /nfs/dbraw/zinc/52/76/61/527527661.db2.gz QYRLWFDAIBUQJN-CSKARUKUSA-N 0 0 345.380 3.166 10 5 EGBERN CCOC(=O)c1csc(CCNc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000190207758 528338168 /nfs/dbraw/zinc/33/81/68/528338168.db2.gz YRXVWTNVQUUADT-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN CC[C@@H](NS(=O)(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000175112830 529193051 /nfs/dbraw/zinc/19/30/51/529193051.db2.gz VHHQCTODZKQXTH-QGZVFWFLSA-N 0 0 348.424 3.208 10 5 EGBERN COC(C)(C)c1nc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000355029556 536497182 /nfs/dbraw/zinc/49/71/82/536497182.db2.gz BFQYBKXDFOKSEC-UHFFFAOYSA-N 0 0 335.385 3.494 10 5 EGBERN COc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000363855742 536729902 /nfs/dbraw/zinc/72/99/02/536729902.db2.gz NPAKWNOQFBCWOJ-KRWDZBQOSA-N 0 0 348.399 3.025 10 5 EGBERN COc1cccc(-c2nc(COCc3ccccc3)no2)c1[N+](=O)[O-] ZINC000346286733 537068984 /nfs/dbraw/zinc/06/89/84/537068984.db2.gz ANBVBOAVZOHARV-UHFFFAOYSA-N 0 0 341.323 3.370 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000726932484 574611164 /nfs/dbraw/zinc/61/11/64/574611164.db2.gz QLEFWAYFAPDDIW-NSHDSACASA-N 0 0 348.330 3.459 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727710883 574686845 /nfs/dbraw/zinc/68/68/45/574686845.db2.gz MURMMIZTYPWVHA-UHFFFAOYSA-N 0 0 336.691 3.112 10 5 EGBERN O=C(OCCCc1ccncc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000729890388 574894284 /nfs/dbraw/zinc/89/42/84/574894284.db2.gz UKWDUMXYXGIUNR-UHFFFAOYSA-N 0 0 325.324 3.261 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)c1cc(F)ccc1F ZINC000730293027 574966791 /nfs/dbraw/zinc/96/67/91/574966791.db2.gz LFEMTEVKCJPQOO-ZETCQYMHSA-N 0 0 341.291 3.363 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)c1cc(F)ccc1F ZINC000730293020 574966800 /nfs/dbraw/zinc/96/68/00/574966800.db2.gz LFEMTEVKCJPQOO-SSDOTTSWSA-N 0 0 341.291 3.363 10 5 EGBERN O=[N+]([O-])c1ccc(OCCNC(=S)Nc2ccc(F)cc2)cc1 ZINC000731571007 575082631 /nfs/dbraw/zinc/08/26/31/575082631.db2.gz WRUPHNFTZIBNBY-UHFFFAOYSA-N 0 0 335.360 3.099 10 5 EGBERN O=C(OCc1noc(-c2ccccc2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000733106340 575309296 /nfs/dbraw/zinc/30/92/96/575309296.db2.gz NZSYAKBQLDDVBQ-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000733422832 575340416 /nfs/dbraw/zinc/34/04/16/575340416.db2.gz BCDQQDXOFORXLX-UHFFFAOYSA-N 0 0 342.138 3.357 10 5 EGBERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000733684066 575382868 /nfs/dbraw/zinc/38/28/68/575382868.db2.gz PMYOXGBXMUMOIH-XJKSGUPXSA-N 0 0 348.399 3.236 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2C(F)(F)F)cn1 ZINC000735487217 575668538 /nfs/dbraw/zinc/66/85/38/575668538.db2.gz SNHZJCZNXOVNDL-GFCCVEGCSA-N 0 0 327.262 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000735487475 575668639 /nfs/dbraw/zinc/66/86/39/575668639.db2.gz KMTWEGOTSVCIQM-KRWDZBQOSA-N 0 0 331.347 3.079 10 5 EGBERN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736312191 575932425 /nfs/dbraw/zinc/93/24/25/575932425.db2.gz QXSWJAMSXZUBGY-MRXNPFEDSA-N 0 0 332.331 3.080 10 5 EGBERN CC(C)[C@@H](CCc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000741114953 576655470 /nfs/dbraw/zinc/65/54/70/576655470.db2.gz QFQBMTBBFUAVIR-QGZVFWFLSA-N 0 0 345.399 3.382 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000742464741 576785902 /nfs/dbraw/zinc/78/59/02/576785902.db2.gz OQXFZYUZUIVOCI-LLVKDONJSA-N 0 0 337.376 3.145 10 5 EGBERN O=c1nc2c3ccccc3ncn2nc1/C=C/C=C\c1ccccc1 ZINC000096129985 1292947969 /nfs/dbraw/zinc/94/79/69/1292947969.db2.gz MWWHEDXWQFXPAH-JHGLROMCSA-N 0 0 326.359 3.364 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)cc1 ZINC000096911582 1292955517 /nfs/dbraw/zinc/95/55/17/1292955517.db2.gz NKZZZCBETGSSMC-BHQIHCQQSA-N 0 0 344.298 3.252 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170795895 1294382020 /nfs/dbraw/zinc/38/20/20/1294382020.db2.gz AUFKAIFEHQSCIR-SECBINFHSA-N 0 0 338.285 3.373 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@H](C(F)F)C1 ZINC000194114832 1295946042 /nfs/dbraw/zinc/94/60/42/1295946042.db2.gz JDVGWBPLZQMYRS-INIZCTEOSA-N 0 0 342.345 3.494 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cnn(CC(F)(F)F)c1 ZINC000870610172 1295976019 /nfs/dbraw/zinc/97/60/19/1295976019.db2.gz VYVYALVQZBWUDI-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccnn1C(F)F ZINC000870701203 1296028731 /nfs/dbraw/zinc/02/87/31/1296028731.db2.gz OZPGFFPNZKAEDY-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(C2CC2)c1 ZINC000870828284 1296105915 /nfs/dbraw/zinc/10/59/15/1296105915.db2.gz NSUUFHUUDWLQCM-UHFFFAOYSA-N 0 0 327.340 3.229 10 5 EGBERN Cc1ccc(CCCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000870829062 1296106546 /nfs/dbraw/zinc/10/65/46/1296106546.db2.gz FQAHYBPNTCDWBA-UHFFFAOYSA-N 0 0 349.412 3.431 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000871122078 1296233962 /nfs/dbraw/zinc/23/39/62/1296233962.db2.gz HTOCNNSRMDHIBE-HUUCEWRRSA-N 0 0 336.363 3.120 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871123163 1296234427 /nfs/dbraw/zinc/23/44/27/1296234427.db2.gz NIARLWVQMRUSOX-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000871162671 1296251495 /nfs/dbraw/zinc/25/14/95/1296251495.db2.gz GQFFOILQWYZCKU-HNNXBMFYSA-N 0 0 336.388 3.071 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000871201938 1296270882 /nfs/dbraw/zinc/27/08/82/1296270882.db2.gz XUCLVYOPYOVDJO-UVHPCUKQSA-N 0 0 344.411 3.150 10 5 EGBERN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000871250333 1296293508 /nfs/dbraw/zinc/29/35/08/1296293508.db2.gz PPQCYWJQTWONKF-KRWDZBQOSA-N 0 0 349.337 3.439 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000871303422 1296333156 /nfs/dbraw/zinc/33/31/56/1296333156.db2.gz YGRSJRQIJHZJPB-IUODEOHRSA-N 0 0 338.791 3.183 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871327673 1296351644 /nfs/dbraw/zinc/35/16/44/1296351644.db2.gz VGVZEKDGRQKNDZ-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871328716 1296351714 /nfs/dbraw/zinc/35/17/14/1296351714.db2.gz HGGTXYCIERBWRX-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC2(CSC2)C1 ZINC000871507045 1296419136 /nfs/dbraw/zinc/41/91/36/1296419136.db2.gz VFGZSTGKOHGFDP-UHFFFAOYSA-N 0 0 326.805 3.182 10 5 EGBERN CC(C)(C(=O)NC1CC2(CSC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000871507824 1296419417 /nfs/dbraw/zinc/41/94/17/1296419417.db2.gz WLRWVDIPAFQTJK-UHFFFAOYSA-N 0 0 338.404 3.023 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871577775 1296437973 /nfs/dbraw/zinc/43/79/73/1296437973.db2.gz PNLYDOLEQYONJB-CYBMUJFWSA-N 0 0 343.383 3.013 10 5 EGBERN CC(C)(C)n1cc(COc2cc(Cl)c([N+](=O)[O-])cc2F)nn1 ZINC000871693853 1296484092 /nfs/dbraw/zinc/48/40/92/1296484092.db2.gz FUJZULSKVDGAEC-UHFFFAOYSA-N 0 0 328.731 3.313 10 5 EGBERN CO[C@H]1C[C@@H](CSCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000871710695 1296494592 /nfs/dbraw/zinc/49/45/92/1296494592.db2.gz RWRQGUGJWGVRDS-WJONMLJTSA-N 0 0 325.386 3.120 10 5 EGBERN COc1ccc(OCCSC[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000871712851 1296496170 /nfs/dbraw/zinc/49/61/70/1296496170.db2.gz XQNHFKRSMFQFFS-BJHJDKERSA-N 0 0 327.402 3.140 10 5 EGBERN CC1(C)CCc2onc(CSCCn3cc([N+](=O)[O-])cn3)c2C1 ZINC000871713591 1296496463 /nfs/dbraw/zinc/49/64/63/1296496463.db2.gz YYFKAOPYHYRIDT-UHFFFAOYSA-N 0 0 336.417 3.228 10 5 EGBERN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026971 1296671331 /nfs/dbraw/zinc/67/13/31/1296671331.db2.gz JGRYTHOILAHLDU-KBPBESRZSA-N 0 0 348.374 3.133 10 5 EGBERN C[C@@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000872027695 1296673800 /nfs/dbraw/zinc/67/38/00/1296673800.db2.gz LKUZWNWRCHKDDX-CHWSQXEVSA-N 0 0 345.374 3.089 10 5 EGBERN C[C@H](NCc1ccc([S@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048789 1296699672 /nfs/dbraw/zinc/69/96/72/1296699672.db2.gz MHKHFDZASYTJQT-RULNZOCKSA-N 0 0 336.388 3.322 10 5 EGBERN C[C@@H](NCc1nn(C)cc1C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091761 1296730091 /nfs/dbraw/zinc/73/00/91/1296730091.db2.gz IYIMVFLIKOFMFP-MRVPVSSYSA-N 0 0 328.294 3.256 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000872754219 1297094172 /nfs/dbraw/zinc/09/41/72/1297094172.db2.gz YIJIWVNOXOBSHJ-XPTSAGLGSA-N 0 0 346.305 3.344 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000873321125 1297433629 /nfs/dbraw/zinc/43/36/29/1297433629.db2.gz HKVBQYPVLDHKKW-WZRBSPASSA-N 0 0 325.386 3.044 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000873512671 1297553558 /nfs/dbraw/zinc/55/35/58/1297553558.db2.gz MSCSFLFNWUFNQS-CHWSQXEVSA-N 0 0 339.319 3.007 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC(CC2CC2)C1 ZINC000699616915 1298170780 /nfs/dbraw/zinc/17/07/80/1298170780.db2.gz QASAIXWVKVCYGM-UHFFFAOYSA-N 0 0 339.189 3.229 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC000875054730 1298215634 /nfs/dbraw/zinc/21/56/34/1298215634.db2.gz ZASXLEZVXMBJGB-DIFFPNOSSA-N 0 0 334.372 3.210 10 5 EGBERN CCOc1cc(NCc2cc(Br)no2)ccc1[N+](=O)[O-] ZINC000718839549 1298308776 /nfs/dbraw/zinc/30/87/76/1298308776.db2.gz RBBKAMWOSKXEAC-UHFFFAOYSA-N 0 0 342.149 3.356 10 5 EGBERN Cn1cc(CNc2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC000876838086 1299025479 /nfs/dbraw/zinc/02/54/79/1299025479.db2.gz XEUKDDLLJVMTQI-UHFFFAOYSA-N 0 0 328.294 3.435 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC000881827357 1301732546 /nfs/dbraw/zinc/73/25/46/1301732546.db2.gz NAAXESAMWQEICW-NSHDSACASA-N 0 0 346.305 3.345 10 5 EGBERN O=C(OC[C@H]1C[C@]12CCOC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000884535676 1302900714 /nfs/dbraw/zinc/90/07/14/1302900714.db2.gz JDDCGYYGDOOJOA-YGRLFVJLSA-N 0 0 345.273 3.197 10 5 EGBERN C/C(=C\C(=O)N[C@@H](c1cnn(C)c1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000885424963 1303137974 /nfs/dbraw/zinc/13/79/74/1303137974.db2.gz UHWMAVJOWFENGZ-FHLIRTJZSA-N 0 0 342.399 3.245 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617044 1303525639 /nfs/dbraw/zinc/52/56/39/1303525639.db2.gz CACTYNNXZGEIIR-FZMZJTMJSA-N 0 0 330.306 3.465 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000887183678 1303698821 /nfs/dbraw/zinc/69/88/21/1303698821.db2.gz GQBCFJAACBWXCN-QMTHXVAHSA-N 0 0 339.779 3.281 10 5 EGBERN C[C@]1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1(F)F ZINC000892940969 1305617786 /nfs/dbraw/zinc/61/77/86/1305617786.db2.gz PLKIYCRJUAQNJJ-OAHLLOKOSA-N 0 0 335.310 3.105 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])OC1 ZINC000893333829 1305834908 /nfs/dbraw/zinc/83/49/08/1305834908.db2.gz XLOCWVYHAQYHBV-SNVBAGLBSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000893509980 1305941069 /nfs/dbraw/zinc/94/10/69/1305941069.db2.gz AQFMQKBDPLEZOJ-DYVFJYSZSA-N 0 0 349.383 3.306 10 5 EGBERN COCC1CC(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000893637332 1305998804 /nfs/dbraw/zinc/99/88/04/1305998804.db2.gz ZBURHKLPQBEGKW-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893855708 1306100052 /nfs/dbraw/zinc/10/00/52/1306100052.db2.gz HCJDBLWAVMMCHF-WCQYABFASA-N 0 0 338.429 3.252 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC2CC2)c2ccc(C)cc2)n1 ZINC000894234982 1306292535 /nfs/dbraw/zinc/29/25/35/1306292535.db2.gz NFWCXJZMORZEJN-UHFFFAOYSA-N 0 0 328.372 3.176 10 5 EGBERN Cc1cccc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894672222 1309016813 /nfs/dbraw/zinc/01/68/13/1309016813.db2.gz GQFRCLLJRJVYDO-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894673901 1309017111 /nfs/dbraw/zinc/01/71/11/1309017111.db2.gz RECHOLUHPXTWGE-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)c([N+](=O)[O-])c1 ZINC000895191545 1309232512 /nfs/dbraw/zinc/23/25/12/1309232512.db2.gz AYJFKSJCMQHVLL-OAHLLOKOSA-N 0 0 328.372 3.479 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]2CCc3ccccc32)n1 ZINC000896241980 1309765238 /nfs/dbraw/zinc/76/52/38/1309765238.db2.gz BRSGOCGVXWMBMK-LBPRGKRZSA-N 0 0 339.355 3.041 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000896588318 1309925787 /nfs/dbraw/zinc/92/57/87/1309925787.db2.gz RQGZIJHSOVIRJT-MRXNPFEDSA-N 0 0 332.400 3.440 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000897010207 1310133369 /nfs/dbraw/zinc/13/33/69/1310133369.db2.gz IHDPOGRCHBPVBM-CVMIBZJCSA-N 0 0 341.367 3.143 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc([C@@H]3CCOC4(CCC4)C3)no2)c1 ZINC000897105234 1310181605 /nfs/dbraw/zinc/18/16/05/1310181605.db2.gz LBGYMHYSENBTSZ-CYBMUJFWSA-N 0 0 329.356 3.385 10 5 EGBERN Cc1sc(C(=O)N(C)CCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000898030938 1310556288 /nfs/dbraw/zinc/55/62/88/1310556288.db2.gz RYXPCUQCYSJFOV-UHFFFAOYSA-N 0 0 344.396 3.156 10 5 EGBERN CC(C)OCCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000929261246 1328550627 /nfs/dbraw/zinc/55/06/27/1328550627.db2.gz LPKCTDPOFXPGMK-UHFFFAOYSA-N 0 0 328.796 3.112 10 5 EGBERN Cc1cc(NC(=O)CC2(NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000857604590 1328561887 /nfs/dbraw/zinc/56/18/87/1328561887.db2.gz WBZFHYQPBOATMW-UHFFFAOYSA-N 0 0 349.387 3.289 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929375240 1328583183 /nfs/dbraw/zinc/58/31/83/1328583183.db2.gz UTUWJEOQGCJOTG-NEWSRXKRSA-N 0 0 336.391 3.372 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929375242 1328583407 /nfs/dbraw/zinc/58/34/07/1328583407.db2.gz UTUWJEOQGCJOTG-QRQLOZEOSA-N 0 0 336.391 3.372 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccn1)C1CC1 ZINC000929411081 1328590681 /nfs/dbraw/zinc/59/06/81/1328590681.db2.gz BQJPXZOOVVBSHJ-UHFFFAOYSA-N 0 0 343.358 3.253 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000857880795 1328614440 /nfs/dbraw/zinc/61/44/40/1328614440.db2.gz NZLHQAFFXPAHFW-UHFFFAOYSA-N 0 0 330.363 3.206 10 5 EGBERN CN(Cc1ccncc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000929663717 1328661807 /nfs/dbraw/zinc/66/18/07/1328661807.db2.gz JQPBGQMYRUUHJL-UHFFFAOYSA-N 0 0 333.775 3.234 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2ncccn2)C1 ZINC000899531953 1317076558 /nfs/dbraw/zinc/07/65/58/1317076558.db2.gz GMFXIWPUZKEPIE-LBPRGKRZSA-N 0 0 346.774 3.058 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899679294 1317131656 /nfs/dbraw/zinc/13/16/56/1317131656.db2.gz LVSAJIIZCMIBND-UHFFFAOYSA-N 0 0 332.400 3.027 10 5 EGBERN Cn1nccc1[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858359667 1328744527 /nfs/dbraw/zinc/74/45/27/1328744527.db2.gz ORNAHJYWJUYEJF-AWEZNQCLSA-N 0 0 337.383 3.261 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC(c2ccccn2)C1 ZINC000913370740 1319016000 /nfs/dbraw/zinc/01/60/00/1319016000.db2.gz CZGMFLCEONPLHF-UHFFFAOYSA-N 0 0 345.786 3.202 10 5 EGBERN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384680 1319019592 /nfs/dbraw/zinc/01/95/92/1319019592.db2.gz BFDDNWNPKXOZTR-WPRPVWTQSA-N 0 0 342.754 3.009 10 5 EGBERN COC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC000913384805 1319020449 /nfs/dbraw/zinc/02/04/49/1319020449.db2.gz GTGQZWORKYNITQ-UHFFFAOYSA-N 0 0 344.770 3.353 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913667458 1319091671 /nfs/dbraw/zinc/09/16/71/1319091671.db2.gz FLBWGQZWWVWIHA-PSASIEDQSA-N 0 0 330.743 3.027 10 5 EGBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(c1ccccc1)C1CCC1 ZINC000913673608 1319094356 /nfs/dbraw/zinc/09/43/56/1319094356.db2.gz LXICMNQMHJNBSB-QGZVFWFLSA-N 0 0 326.352 3.214 10 5 EGBERN CC(C)(CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(F)F ZINC000913755569 1319116006 /nfs/dbraw/zinc/11/60/06/1319116006.db2.gz YLBJICHOQXNPGH-UHFFFAOYSA-N 0 0 335.738 3.242 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000913979055 1319202741 /nfs/dbraw/zinc/20/27/41/1319202741.db2.gz JFCNNPOYYYGENX-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000914787216 1319378172 /nfs/dbraw/zinc/37/81/72/1319378172.db2.gz DEOISBSAQQICBE-HWKANZROSA-N 0 0 332.381 3.497 10 5 EGBERN CC1=NO[C@H](CSc2nc3cc4ccccc4cc3c(=O)n2C)C1 ZINC000916203189 1319619842 /nfs/dbraw/zinc/61/98/42/1319619842.db2.gz LOPOPYGEVNXJCD-AWEZNQCLSA-N 0 0 339.420 3.344 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000858735435 1328846632 /nfs/dbraw/zinc/84/66/32/1328846632.db2.gz VPVWXESIRWAADP-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN CC[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C(=O)OC(C)(C)C ZINC000858726551 1328842884 /nfs/dbraw/zinc/84/28/84/1328842884.db2.gz JLHFYESSCSDEMG-QWHCGFSZSA-N 0 0 336.392 3.190 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=S)Nc1ccc(F)cc1 ZINC000917594371 1319845732 /nfs/dbraw/zinc/84/57/32/1319845732.db2.gz PNDRIGANKNSZSA-UHFFFAOYSA-N 0 0 335.360 3.229 10 5 EGBERN C/C=C\CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000858800574 1328864138 /nfs/dbraw/zinc/86/41/38/1328864138.db2.gz RENOAYWDAZBBAQ-ARJAWSKDSA-N 0 0 346.137 3.262 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccns1 ZINC000858829846 1328870067 /nfs/dbraw/zinc/87/00/67/1328870067.db2.gz NHFLUZMLJREREA-LLVKDONJSA-N 0 0 346.412 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]2C(F)(F)F)c1 ZINC000930516998 1328884362 /nfs/dbraw/zinc/88/43/62/1328884362.db2.gz IZZNRLOHACFRNU-SNVBAGLBSA-N 0 0 339.111 3.494 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(F)(F)F ZINC000859378017 1328978468 /nfs/dbraw/zinc/97/84/68/1328978468.db2.gz KWNZDSFXGBEBDG-CYBMUJFWSA-N 0 0 342.273 3.055 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000859384703 1328980001 /nfs/dbraw/zinc/98/00/01/1328980001.db2.gz HOYLTKWIDAGWAW-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859450372 1328989984 /nfs/dbraw/zinc/98/99/84/1328989984.db2.gz PGBKSGAIWZNAQX-DTWKUNHWSA-N 0 0 349.261 3.282 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccn(-c2ccccc2F)n1 ZINC000919120614 1322029806 /nfs/dbraw/zinc/02/98/06/1322029806.db2.gz PREFIRHXUIVLSJ-UHFFFAOYSA-N 0 0 347.327 3.338 10 5 EGBERN CCC[C@H](C)N1C[C@H](C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000919585447 1322082370 /nfs/dbraw/zinc/08/23/70/1322082370.db2.gz UDSPUTWZILHTSW-KCQAQPDRSA-N 0 0 348.399 3.236 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OCc3ccno3)cc2[N+](=O)[O-])C1 ZINC000919757774 1322104232 /nfs/dbraw/zinc/10/42/32/1322104232.db2.gz YHOMHKDQIKCQJJ-GFCCVEGCSA-N 0 0 345.355 3.176 10 5 EGBERN CNc1ccc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000920155510 1322146034 /nfs/dbraw/zinc/14/60/34/1322146034.db2.gz VEDVWKSAGQRLNS-SNVBAGLBSA-N 0 0 345.311 3.463 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC=CC12CCCC2 ZINC000920162617 1322146595 /nfs/dbraw/zinc/14/65/95/1322146595.db2.gz MUTCPHFEPHRFIB-UHFFFAOYSA-N 0 0 342.804 3.122 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OC[C@H]2CCC3(COC3)O2)cc1Cl ZINC000920243905 1322153591 /nfs/dbraw/zinc/15/35/91/1322153591.db2.gz JOCYSJZJEVXXHI-MRVPVSSYSA-N 0 0 334.155 3.228 10 5 EGBERN CCc1noc(CCCC(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000921134049 1322261219 /nfs/dbraw/zinc/26/12/19/1322261219.db2.gz MCQFMSBYLHITOZ-UHFFFAOYSA-N 0 0 339.735 3.122 10 5 EGBERN CNc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000921241072 1322280235 /nfs/dbraw/zinc/28/02/35/1322280235.db2.gz YTTJTBVRWZRGSR-UHFFFAOYSA-N 0 0 329.360 3.200 10 5 EGBERN Cc1cnc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000921336751 1322296109 /nfs/dbraw/zinc/29/61/09/1322296109.db2.gz WBWUMZAFSCCLJJ-AWEZNQCLSA-N 0 0 342.399 3.475 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC2(CCCCO2)CC1 ZINC000922068346 1322447800 /nfs/dbraw/zinc/44/78/00/1322447800.db2.gz YTQIBZMWZOXSRJ-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC2(CCCCO2)CC1 ZINC000922075811 1322449395 /nfs/dbraw/zinc/44/93/95/1322449395.db2.gz GUZIUHDOJDSGMN-VMPITWQZSA-N 0 0 330.384 3.170 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H](CO)c1ccccc1 ZINC000922098260 1322455292 /nfs/dbraw/zinc/45/52/92/1322455292.db2.gz IAHKLXKEWRIVDX-KRWDZBQOSA-N 0 0 328.368 3.099 10 5 EGBERN Cc1cc(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cc([N+](=O)[O-])c1 ZINC000922387941 1322515835 /nfs/dbraw/zinc/51/58/35/1322515835.db2.gz NIKZQSPQEGSOBL-VXGBXAGGSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000922917391 1322648795 /nfs/dbraw/zinc/64/87/95/1322648795.db2.gz GPBNPVSPBPLORC-OIBJUYFYSA-N 0 0 337.225 3.001 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923112502 1322694857 /nfs/dbraw/zinc/69/48/57/1322694857.db2.gz OTPUAYSNMKTPQG-JLZZUVOBSA-N 0 0 347.415 3.303 10 5 EGBERN CC(C)c1ccc(C(=O)OCc2cc(Cl)n(C)n2)cc1[N+](=O)[O-] ZINC000859647512 1329044703 /nfs/dbraw/zinc/04/47/03/1329044703.db2.gz CNUHLFPHNJHRHS-UHFFFAOYSA-N 0 0 337.763 3.462 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC1CCC(=O)CC1 ZINC000923597266 1322779553 /nfs/dbraw/zinc/77/95/53/1322779553.db2.gz CUNSOTBPNLXLIR-UHFFFAOYSA-N 0 0 339.775 3.483 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000923720128 1322796412 /nfs/dbraw/zinc/79/64/12/1322796412.db2.gz BCGHLNHLCSWTKU-QWHCGFSZSA-N 0 0 347.289 3.181 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCc1csc([N+](=O)[O-])c1 ZINC000923720529 1322796591 /nfs/dbraw/zinc/79/65/91/1322796591.db2.gz DTQYSDWBMQAVAP-IUCAKERBSA-N 0 0 339.291 3.200 10 5 EGBERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCc1cccc([N+](=O)[O-])c1 ZINC000923723709 1322797571 /nfs/dbraw/zinc/79/75/71/1322797571.db2.gz XFVNUTBUUKXUCW-VXGBXAGGSA-N 0 0 333.262 3.138 10 5 EGBERN C[C@@H]1OCCO[C@@H]1C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000923808664 1322814124 /nfs/dbraw/zinc/81/41/24/1322814124.db2.gz FDUCOGVZSVXFRR-DJJJIMSYSA-N 0 0 337.375 3.235 10 5 EGBERN CC(C)(C)n1cc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000923963165 1322857359 /nfs/dbraw/zinc/85/73/59/1322857359.db2.gz SIAFWEXGFAGHNS-UHFFFAOYSA-N 0 0 349.362 3.361 10 5 EGBERN CC(C)c1[nH]ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859688719 1329054902 /nfs/dbraw/zinc/05/49/02/1329054902.db2.gz KBLZMQZIDSPPFZ-UHFFFAOYSA-N 0 0 334.303 3.225 10 5 EGBERN Cc1cc(-c2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092332 1322898478 /nfs/dbraw/zinc/89/84/78/1322898478.db2.gz CYEDCTHAFINQGQ-GJZGRUSLSA-N 0 0 329.356 3.453 10 5 EGBERN CC(C)Oc1cc(C(=O)OCc2ccnc(F)c2)ccc1[N+](=O)[O-] ZINC000859719950 1329063398 /nfs/dbraw/zinc/06/33/98/1329063398.db2.gz FJJPMLXPJVPLSR-UHFFFAOYSA-N 0 0 334.303 3.273 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C2CC2)O1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000924353038 1322992989 /nfs/dbraw/zinc/99/29/89/1322992989.db2.gz OEQBHSCIAAUHFG-ABAIWWIYSA-N 0 0 341.310 3.264 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000931173250 1329066490 /nfs/dbraw/zinc/06/64/90/1329066490.db2.gz WGBKPYHEEXRTTP-HNNXBMFYSA-N 0 0 334.420 3.061 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@]2(C)Br)cc1[N+](=O)[O-] ZINC000859907085 1329109224 /nfs/dbraw/zinc/10/92/24/1329109224.db2.gz SWQMZYHPUDOBKO-CHIMOYNISA-N 0 0 341.205 3.254 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000931495346 1329130552 /nfs/dbraw/zinc/13/05/52/1329130552.db2.gz JEQIRGLZACMFNP-YOEHRIQHSA-N 0 0 347.415 3.484 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054006 1329135972 /nfs/dbraw/zinc/13/59/72/1329135972.db2.gz FNEPSUKEBTXDNI-WDEREUQCSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925248367 1325095980 /nfs/dbraw/zinc/09/59/80/1325095980.db2.gz XEWJRTAOHMPFEU-ABAIWWIYSA-N 0 0 339.342 3.487 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252143 1325098570 /nfs/dbraw/zinc/09/85/70/1325098570.db2.gz YKBWFFKEOKBXHR-SRCQZFHVSA-N 0 0 347.415 3.160 10 5 EGBERN COc1c(C(=O)N=[S@](C)(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000926025020 1325392385 /nfs/dbraw/zinc/39/23/85/1325392385.db2.gz LWPZOJWVUHYXQI-HSZRJFAPSA-N 0 0 340.401 3.174 10 5 EGBERN CCOc1cc(COC(=O)[C@H](OCC)C(C)C)ccc1[N+](=O)[O-] ZINC000860367073 1329309750 /nfs/dbraw/zinc/30/97/50/1329309750.db2.gz LOSAJOGAHHYPSP-OAHLLOKOSA-N 0 0 325.361 3.098 10 5 EGBERN Cc1nc2sccn2c1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000860587124 1329333555 /nfs/dbraw/zinc/33/35/55/1329333555.db2.gz HLTQAYCFCKGLJF-UHFFFAOYSA-N 0 0 342.380 3.124 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CCCOC1 ZINC000860681442 1329343910 /nfs/dbraw/zinc/34/39/10/1329343910.db2.gz NUEOQLNSFRZHPW-JSGCOSHPSA-N 0 0 328.368 3.293 10 5 EGBERN CC(C)C(=O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000926881321 1327754124 /nfs/dbraw/zinc/75/41/24/1327754124.db2.gz YCHRVUAWGUNOLB-GOSISDBHSA-N 0 0 340.379 3.220 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927292129 1327959496 /nfs/dbraw/zinc/95/94/96/1327959496.db2.gz FMBMMLQCRQHDCD-ZDUSSCGKSA-N 0 0 346.280 3.030 10 5 EGBERN Cc1cc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000927294478 1327960154 /nfs/dbraw/zinc/96/01/54/1327960154.db2.gz NZRVPRFCHKVLLK-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000927621152 1328083729 /nfs/dbraw/zinc/08/37/29/1328083729.db2.gz RDMTZDQMDCXHRA-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000861181218 1329395312 /nfs/dbraw/zinc/39/53/12/1329395312.db2.gz LLBFYTINTFANNG-WPRPVWTQSA-N 0 0 344.161 3.078 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)[C@@H](C)O1 ZINC000861188618 1329395412 /nfs/dbraw/zinc/39/54/12/1329395412.db2.gz CZFNVOFUSKGMLS-FRRDWIJNSA-N 0 0 328.368 3.386 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928230723 1328244890 /nfs/dbraw/zinc/24/48/90/1328244890.db2.gz CJALCPIAVIFJHU-CQSZACIVSA-N 0 0 338.379 3.083 10 5 EGBERN C[C@@H](NC(=O)c1c(C2CCC2)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246158 1328253404 /nfs/dbraw/zinc/25/34/04/1328253404.db2.gz BQPLDAUHLGPAEJ-LLVKDONJSA-N 0 0 328.372 3.087 10 5 EGBERN Cc1ccc(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000928244864 1328253790 /nfs/dbraw/zinc/25/37/90/1328253790.db2.gz FCUFVJQMGGZOFO-LLVKDONJSA-N 0 0 333.775 3.372 10 5 EGBERN C/C(=C\C(=O)N1CCC[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928367552 1328289975 /nfs/dbraw/zinc/28/99/75/1328289975.db2.gz IGUWKHMCYPHYSW-UJGDBWEASA-N 0 0 340.383 3.095 10 5 EGBERN O=C(/C=C\[C@@H]1CCOC1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446481 1329419122 /nfs/dbraw/zinc/41/91/22/1329419122.db2.gz VEXAYDSLXDJYMN-HRAYQHDSSA-N 0 0 345.273 3.334 10 5 EGBERN CCCN1C(=O)N(C[C@@H](C)c2ccccc2[N+](=O)[O-])C(=O)[C@@H]1CC ZINC000929006485 1328487807 /nfs/dbraw/zinc/48/78/07/1328487807.db2.gz UJUZSZREWZLQMQ-OCCSQVGLSA-N 0 0 333.388 3.151 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000929117941 1328508896 /nfs/dbraw/zinc/50/88/96/1328508896.db2.gz CGFFYVMXKXDGMF-LLVKDONJSA-N 0 0 349.334 3.415 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862100525 1329458873 /nfs/dbraw/zinc/45/88/73/1329458873.db2.gz VXOQSXZMJRXHNW-AOOOYVTPSA-N 0 0 326.780 3.324 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCOC[C@@H]1C1CCC1 ZINC000862101451 1329459064 /nfs/dbraw/zinc/45/90/64/1329459064.db2.gz QVJDXZGKXMPJPI-GOSISDBHSA-N 0 0 340.379 3.389 10 5 EGBERN COCCC1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000862429417 1329486013 /nfs/dbraw/zinc/48/60/13/1329486013.db2.gz GRUUYNHFLQNUAK-BUHFOSPRSA-N 0 0 332.400 3.273 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000862716918 1329504867 /nfs/dbraw/zinc/50/48/67/1329504867.db2.gz VNDOVOHXIOZEAA-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862726876 1329505360 /nfs/dbraw/zinc/50/53/60/1329505360.db2.gz AHTHBYXSLOJQBR-QLZIMGNHSA-N 0 0 332.425 3.495 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862846949 1329514697 /nfs/dbraw/zinc/51/46/97/1329514697.db2.gz ULMQPFDUCBPGQE-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN CCCOc1cncc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC000862858241 1329515750 /nfs/dbraw/zinc/51/57/50/1329515750.db2.gz UQECYYLFUSQRBC-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1F ZINC000862861185 1329515892 /nfs/dbraw/zinc/51/58/92/1329515892.db2.gz DXUWEDQMMALFAR-UHFFFAOYSA-N 0 0 326.368 3.021 10 5 EGBERN CC1(C)CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2O1 ZINC000863048701 1329526198 /nfs/dbraw/zinc/52/61/98/1329526198.db2.gz VNLDVRJBZPGARG-UHFFFAOYSA-N 0 0 327.340 3.346 10 5 EGBERN C/C=C\C[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341018 1329548479 /nfs/dbraw/zinc/54/84/79/1329548479.db2.gz TVEUGRWVJNXKMN-XQJDBVBESA-N 0 0 331.372 3.138 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000863773625 1329580015 /nfs/dbraw/zinc/58/00/15/1329580015.db2.gz DVHBJNHWEUOCFP-GFCCVEGCSA-N 0 0 333.344 3.122 10 5 EGBERN O=C(NCc1ccc(Cl)nc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864933904 1329653270 /nfs/dbraw/zinc/65/32/70/1329653270.db2.gz NVWKRRYWIUFQLH-UHFFFAOYSA-N 0 0 345.786 3.381 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CNc1cncc(C(F)F)c1)OCCO2 ZINC000865296495 1329684433 /nfs/dbraw/zinc/68/44/33/1329684433.db2.gz ZYACGFVBTXYJGJ-UHFFFAOYSA-N 0 0 337.282 3.311 10 5 EGBERN C[C@H](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000865620966 1329721319 /nfs/dbraw/zinc/72/13/19/1329721319.db2.gz HIILAERQZZYHEV-QOLSBQFWSA-N 0 0 325.217 3.471 10 5 EGBERN CC[C@H](C)CN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865691169 1329729690 /nfs/dbraw/zinc/72/96/90/1329729690.db2.gz UYOUITVLZZAJMH-JTQLQIEISA-N 0 0 343.221 3.404 10 5 EGBERN Cc1cc(CCNc2cc(F)c([N+](=O)[O-])cc2CO)cc(C)c1O ZINC000865719912 1329732379 /nfs/dbraw/zinc/73/23/79/1329732379.db2.gz RIYMFJQCYRPOFQ-UHFFFAOYSA-N 0 0 334.347 3.203 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865724116 1329732712 /nfs/dbraw/zinc/73/27/12/1329732712.db2.gz HQGCCHHWTQZKHI-APPDUMDISA-N 0 0 328.343 3.326 10 5 EGBERN CCC[C@@H](O)CCCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866033427 1329760427 /nfs/dbraw/zinc/76/04/27/1329760427.db2.gz NJTHKFWLIPYFRO-LLVKDONJSA-N 0 0 347.458 3.032 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866053911 1330060044 /nfs/dbraw/zinc/06/00/44/1330060044.db2.gz VHHZQRPHTJOUKZ-SJLPKXTDSA-N 0 0 328.368 3.306 10 5 EGBERN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ccc([N+](=O)[O-])cn1 ZINC000866053380 1330060182 /nfs/dbraw/zinc/06/01/82/1330060182.db2.gz QEWXHESFKQUQRO-UHFFFAOYSA-N 0 0 348.403 3.016 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](OC4CCC4)CC3)nc2c1 ZINC000866146623 1330070360 /nfs/dbraw/zinc/07/03/60/1330070360.db2.gz MDVBWOROOFKRMG-CQSZACIVSA-N 0 0 330.388 3.399 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866176097 1330073763 /nfs/dbraw/zinc/07/37/63/1330073763.db2.gz RHXNWUCPSDPYCY-LBPRGKRZSA-N 0 0 326.780 3.246 10 5 EGBERN Cc1cncc([C@H]2CCCN2c2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000866275875 1330089437 /nfs/dbraw/zinc/08/94/37/1330089437.db2.gz IMTIHGZPLQOFFW-OAHLLOKOSA-N 0 0 331.347 3.271 10 5 EGBERN CCOC1CC2(C[C@H]2c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000866839441 1330151194 /nfs/dbraw/zinc/15/11/94/1330151194.db2.gz WQIOIKMAYANLEU-JZLYGMAVSA-N 0 0 329.356 3.241 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000867511308 1330207048 /nfs/dbraw/zinc/20/70/48/1330207048.db2.gz ZAYYLBBNURSYPF-UHFFFAOYSA-N 0 0 340.354 3.350 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccccc2)C2CCC2)cs1 ZINC000867624988 1330211538 /nfs/dbraw/zinc/21/15/38/1330211538.db2.gz XINMPTUVJTUXBM-UHFFFAOYSA-N 0 0 338.410 3.404 10 5 EGBERN C[C@H]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867646558 1330212564 /nfs/dbraw/zinc/21/25/64/1330212564.db2.gz HNUKLRGMXJLVFE-GXSJLCMTSA-N 0 0 341.205 3.205 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc(C2CC2)cc1 ZINC000867750048 1330218530 /nfs/dbraw/zinc/21/85/30/1330218530.db2.gz SRDFYVQNRCORBE-UHFFFAOYSA-N 0 0 328.343 3.470 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000868317077 1330270152 /nfs/dbraw/zinc/27/01/52/1330270152.db2.gz WIWNMLUZRZBUGV-AWEZNQCLSA-N 0 0 344.415 3.062 10 5 EGBERN CCSCC[C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868326201 1330271132 /nfs/dbraw/zinc/27/11/32/1330271132.db2.gz SCKBTEWPPRNKBV-GFCCVEGCSA-N 0 0 325.434 3.234 10 5 EGBERN Cc1csc2nc(CC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cn12 ZINC000868431263 1330279842 /nfs/dbraw/zinc/27/98/42/1330279842.db2.gz XEPRGIITDBYRFV-UHFFFAOYSA-N 0 0 344.396 3.410 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000868617307 1330300481 /nfs/dbraw/zinc/30/04/81/1330300481.db2.gz BLLDLHLLQUKWDY-SJCJKPOMSA-N 0 0 341.367 3.225 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000868744095 1330329749 /nfs/dbraw/zinc/32/97/49/1330329749.db2.gz QBMYWKQWCKULEB-HUUCEWRRSA-N 0 0 343.786 3.407 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000868795379 1330346477 /nfs/dbraw/zinc/34/64/77/1330346477.db2.gz KPWKUNKNLTYACI-LLVKDONJSA-N 0 0 346.214 3.286 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000869053140 1330402999 /nfs/dbraw/zinc/40/29/99/1330402999.db2.gz ISVWRJIZXXVCLM-KRWDZBQOSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000869053733 1330403988 /nfs/dbraw/zinc/40/39/88/1330403988.db2.gz SDYNRKCZPYMQOS-KRWDZBQOSA-N 0 0 340.383 3.249 10 5 EGBERN COc1cccc2c1CN(C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000869055675 1330404591 /nfs/dbraw/zinc/40/45/91/1330404591.db2.gz VUXABADTMBSOJM-UHFFFAOYSA-N 0 0 341.367 3.137 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869304970 1330458148 /nfs/dbraw/zinc/45/81/48/1330458148.db2.gz XHNUGXUWHWSADV-OAHLLOKOSA-N 0 0 342.370 3.465 10 5 EGBERN CN(C)c1cc(F)c(C(=O)OCc2coc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000869526353 1330517673 /nfs/dbraw/zinc/51/76/73/1330517673.db2.gz ZTJHNGNZCATBPN-UHFFFAOYSA-N 0 0 349.318 3.022 10 5 EGBERN C[C@@H](OC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000869855459 1330577216 /nfs/dbraw/zinc/57/72/16/1330577216.db2.gz OFBAWKJZWBQZAS-NWDGAFQWSA-N 0 0 329.356 3.292 10 5 EGBERN CC[C@@H]1C[C@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001129146125 1373352172 /nfs/dbraw/zinc/35/21/72/1373352172.db2.gz RXXTWBNIMXPLDK-KOLCDFICSA-N 0 0 341.205 3.442 10 5 EGBERN CCn1c(Sc2ncc([N+](=O)[O-])c(C)n2)nnc1-c1ccccc1 ZINC001184704444 1387514769 /nfs/dbraw/zinc/51/47/69/1387514769.db2.gz ZVUOPTUETDPADC-UHFFFAOYSA-N 0 0 342.384 3.123 10 5 EGBERN COc1ccc(CN(C)c2c(Cl)cncc2[N+](=O)[O-])cc1F ZINC001184775505 1387535526 /nfs/dbraw/zinc/53/55/26/1387535526.db2.gz OMJSMQCTVJGVDV-UHFFFAOYSA-N 0 0 325.727 3.427 10 5 EGBERN CCCCc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC001184865133 1387550419 /nfs/dbraw/zinc/55/04/19/1387550419.db2.gz NRHDYPXCUMEQIJ-UHFFFAOYSA-N 0 0 341.415 3.054 10 5 EGBERN CC(C)[C@H]1CCCCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001185378199 1387697025 /nfs/dbraw/zinc/69/70/25/1387697025.db2.gz SIWUVQGIMNWOPN-CQSZACIVSA-N 0 0 329.400 3.462 10 5 EGBERN Cc1ccnc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001105436216 1366467605 /nfs/dbraw/zinc/46/76/05/1366467605.db2.gz YSYIZXUJRXXCCY-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN NC(=O)c1cc(N[C@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC001185979736 1387840331 /nfs/dbraw/zinc/84/03/31/1387840331.db2.gz RUZWWQRUQWJBQL-AWEZNQCLSA-N 0 0 345.330 3.159 10 5 EGBERN O=[N+]([O-])c1cc(OCc2cnn(-c3ccccc3)n2)c(F)cc1F ZINC001189512758 1367041160 /nfs/dbraw/zinc/04/11/60/1367041160.db2.gz ILSKNCVWJZRRMU-UHFFFAOYSA-N 0 0 332.266 3.033 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCc2nc(-c3cccs3)no2)c1 ZINC001189592363 1367063162 /nfs/dbraw/zinc/06/31/62/1367063162.db2.gz PYRRNWWZUUJPEQ-UHFFFAOYSA-N 0 0 333.325 3.294 10 5 EGBERN COC(=O)[C@@H]1CCCC[C@@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190273317 1367214458 /nfs/dbraw/zinc/21/44/58/1367214458.db2.gz HEWOJGQETRPWFZ-GDBMZVCRSA-N 0 0 343.383 3.438 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001192391598 1367772189 /nfs/dbraw/zinc/77/21/89/1367772189.db2.gz SLFVXIDBYFRRSF-WDEREUQCSA-N 0 0 347.159 3.444 10 5 EGBERN C[C@H]1COCC[C@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186382062 1387932197 /nfs/dbraw/zinc/93/21/97/1387932197.db2.gz ZXRPBXRKPVPGEU-QWRGUYRKSA-N 0 0 335.791 3.303 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1nc(-c2ccccn2)n[nH]1 ZINC001186441753 1387942480 /nfs/dbraw/zinc/94/24/80/1387942480.db2.gz PAMBCOVZMXPDBS-UHFFFAOYSA-N 0 0 330.735 3.040 10 5 EGBERN CO[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC001186500721 1387956834 /nfs/dbraw/zinc/95/68/34/1387956834.db2.gz VKBKIOYAMQWUAO-OAHLLOKOSA-N 0 0 338.367 3.208 10 5 EGBERN COC(=O)Cc1ccc(N2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001186612547 1387986202 /nfs/dbraw/zinc/98/62/02/1387986202.db2.gz QPZWONZMWLRSOL-UHFFFAOYSA-N 0 0 332.400 3.327 10 5 EGBERN COc1cccc(-c2nnc(Sc3ncc([N+](=O)[O-])cc3F)o2)c1 ZINC001187234098 1388078713 /nfs/dbraw/zinc/07/87/13/1388078713.db2.gz RJSDBHUFBBIURE-UHFFFAOYSA-N 0 0 348.315 3.339 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCc3noc4ccc(F)cc34)c2c1 ZINC001187362608 1388099619 /nfs/dbraw/zinc/09/96/19/1388099619.db2.gz ZYLNOUUKMGMMTG-UHFFFAOYSA-N 0 0 339.286 3.430 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116427400 1370909017 /nfs/dbraw/zinc/90/90/17/1370909017.db2.gz OAMJXHWTCJQCPW-UHFFFAOYSA-N 0 0 345.786 3.079 10 5 EGBERN CS(=O)(=O)c1cccc(Sc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001187430432 1388106750 /nfs/dbraw/zinc/10/67/50/1388106750.db2.gz JYZBOYPYJZXJKL-UHFFFAOYSA-N 0 0 327.358 3.289 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccc(Br)cc2)o1 ZINC001117217002 1371023075 /nfs/dbraw/zinc/02/30/75/1371023075.db2.gz TVLMRAMFBXEVSW-UHFFFAOYSA-N 0 0 349.144 3.413 10 5 EGBERN Cc1ccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)n1 ZINC001119484523 1371352816 /nfs/dbraw/zinc/35/28/16/1371352816.db2.gz MIGVOMFMGSPIBQ-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN COc1cncc(/C=C\CCSCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119538920 1371363407 /nfs/dbraw/zinc/36/34/07/1371363407.db2.gz IERQCUBMZOIQDR-HYXAFXHYSA-N 0 0 334.401 3.069 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc(OC)ccn2)c1 ZINC001326407192 1388179116 /nfs/dbraw/zinc/17/91/16/1388179116.db2.gz RBMAZHCTGSYKKN-UHFFFAOYSA-N 0 0 348.380 3.218 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H](C)c2ccc(F)nc2)cc1[N+](=O)[O-] ZINC001123010974 1372360845 /nfs/dbraw/zinc/36/08/45/1372360845.db2.gz VCYVVALXWLNBCO-JTQLQIEISA-N 0 0 334.303 3.446 10 5 EGBERN CO[C@]12CCC[C@@]1(COC(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC001123228737 1372402369 /nfs/dbraw/zinc/40/23/69/1372402369.db2.gz CROOJCJEKZEJKK-ROUUACIJSA-N 0 0 349.383 3.004 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001123263966 1372410298 /nfs/dbraw/zinc/41/02/98/1372410298.db2.gz KOVIKHZSRDSLFJ-JKSUJKDBSA-N 0 0 333.388 3.469 10 5 EGBERN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC001123982198 1372646307 /nfs/dbraw/zinc/64/63/07/1372646307.db2.gz VVQDXNGRYACSRA-OAHLLOKOSA-N 0 0 349.774 3.151 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001124006710 1372655763 /nfs/dbraw/zinc/65/57/63/1372655763.db2.gz POFUKUHIDGSCON-RRQGHBQHSA-N 0 0 332.400 3.258 10 5 EGBERN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC001124408682 1372699296 /nfs/dbraw/zinc/69/92/96/1372699296.db2.gz JELGPKDCPMWFPW-UHFFFAOYSA-N 0 0 346.408 3.298 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Cl)NC(=O)C2 ZINC001124414033 1372699830 /nfs/dbraw/zinc/69/98/30/1372699830.db2.gz WEADTIFDASHXEG-UHFFFAOYSA-N 0 0 346.726 3.100 10 5 EGBERN CCC(CC)CN(CC)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001125080528 1372751460 /nfs/dbraw/zinc/75/14/60/1372751460.db2.gz MACIVCFMTFLDQW-QGZVFWFLSA-N 0 0 347.415 3.373 10 5 EGBERN CCOc1cccc(/C=C/C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001125311782 1372769136 /nfs/dbraw/zinc/76/91/36/1372769136.db2.gz UIPYNDWKUGXIBN-DHZHZOJOSA-N 0 0 340.379 3.366 10 5 EGBERN O=C(c1ccc(NC2CC2)nc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001125910875 1372888923 /nfs/dbraw/zinc/88/89/23/1372888923.db2.gz AYAARYLDQZZXJZ-UHFFFAOYSA-N 0 0 338.367 3.157 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)n1 ZINC001127176608 1373100174 /nfs/dbraw/zinc/10/01/74/1373100174.db2.gz WGTBSAQWGHDQGD-SNVBAGLBSA-N 0 0 347.321 3.336 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001127204603 1373103161 /nfs/dbraw/zinc/10/31/61/1373103161.db2.gz CGWZHRRLGLQKIP-HNNXBMFYSA-N 0 0 346.770 3.177 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001127397328 1373123310 /nfs/dbraw/zinc/12/33/10/1373123310.db2.gz RVAQNMPRBNJQOS-QFBILLFUSA-N 0 0 340.379 3.197 10 5 EGBERN Cc1cc(COC(=O)c2ccc(NC3CC3)nc2)ccc1[N+](=O)[O-] ZINC001127412660 1373125120 /nfs/dbraw/zinc/12/51/20/1373125120.db2.gz GEYBNJJRCPRVRG-UHFFFAOYSA-N 0 0 327.340 3.230 10 5 EGBERN CC[C@H](OC(=O)c1cc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC001127711014 1373165903 /nfs/dbraw/zinc/16/59/03/1373165903.db2.gz UOPBNGTVQNVUEU-ZDUSSCGKSA-N 0 0 333.296 3.283 10 5 EGBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001127925777 1373200171 /nfs/dbraw/zinc/20/01/71/1373200171.db2.gz XCFIKAHMHFRTAP-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1oc2ccccc2c1C ZINC001127953110 1373204060 /nfs/dbraw/zinc/20/40/60/1373204060.db2.gz XKRMTGYDWYMBRL-LLVKDONJSA-N 0 0 342.355 3.032 10 5 EGBERN O=C(Nc1cccc2c1OCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001128006269 1373208002 /nfs/dbraw/zinc/20/80/02/1373208002.db2.gz KEINEPOYQPHHRP-QWHCGFSZSA-N 0 0 326.308 3.066 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC001128126251 1373221243 /nfs/dbraw/zinc/22/12/43/1373221243.db2.gz MRHYEXBQKPGZSG-HZPDHXFCSA-N 0 0 339.395 3.439 10 5 EGBERN CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H]1C ZINC001128281768 1373245627 /nfs/dbraw/zinc/24/56/27/1373245627.db2.gz AFSVOPJVZFDQAH-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]1CCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128325320 1373251748 /nfs/dbraw/zinc/25/17/48/1373251748.db2.gz NHQCOBXDLGGOED-YPMHNXCESA-N 0 0 327.384 3.496 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCCC1 ZINC001128865844 1373318897 /nfs/dbraw/zinc/31/88/97/1373318897.db2.gz DPUCALUDSVYHTC-AWEZNQCLSA-N 0 0 337.395 3.499 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c(Cl)nccc23)n1 ZINC001128878227 1373320212 /nfs/dbraw/zinc/32/02/12/1373320212.db2.gz WDMCUSRLEYOVSC-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CSc1ccccc1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001128918182 1373324427 /nfs/dbraw/zinc/32/44/27/1373324427.db2.gz LELHZTWVMIPAFK-UHFFFAOYSA-N 0 0 333.321 3.265 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1ccc(C)c2ccccc12 ZINC001129023080 1373336571 /nfs/dbraw/zinc/33/65/71/1373336571.db2.gz FFXYYUPHKHVPJJ-UHFFFAOYSA-N 0 0 325.324 3.167 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC001129091202 1373344906 /nfs/dbraw/zinc/34/49/06/1373344906.db2.gz FRTNKKCGGAUZOX-UWVGGRQHSA-N 0 0 331.294 3.101 10 5 EGBERN Cc1ccc(COC(=O)COc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001129247945 1373365687 /nfs/dbraw/zinc/36/56/87/1373365687.db2.gz VLBKXXBMQXHYNK-UHFFFAOYSA-N 0 0 337.278 3.304 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)O[C@@H](C)c1ccc(N(C)C)cn1 ZINC001129466237 1373387657 /nfs/dbraw/zinc/38/76/57/1373387657.db2.gz BVJZOLXLLUDTIN-NSHDSACASA-N 0 0 347.346 3.421 10 5 EGBERN CC1(C)CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC001129518742 1373393530 /nfs/dbraw/zinc/39/35/30/1373393530.db2.gz COXANDQFHYRUMJ-LBPRGKRZSA-N 0 0 335.356 3.492 10 5 EGBERN COc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(Cl)n1 ZINC001129567084 1373397986 /nfs/dbraw/zinc/39/79/86/1373397986.db2.gz KMVGZIKXOVAQIW-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@H](C)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001129633394 1373405277 /nfs/dbraw/zinc/40/52/77/1373405277.db2.gz IXGAMQDDDPDYBD-NSHDSACASA-N 0 0 336.388 3.326 10 5 EGBERN COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001129646353 1373407262 /nfs/dbraw/zinc/40/72/62/1373407262.db2.gz INYIQZZRCMMCJC-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1csnn1 ZINC001129971580 1373441322 /nfs/dbraw/zinc/44/13/22/1373441322.db2.gz OBIJEHDWUUPITN-SSDOTTSWSA-N 0 0 334.382 3.152 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)CCC3(C)C)n1 ZINC001130085002 1373453999 /nfs/dbraw/zinc/45/39/99/1373453999.db2.gz SVBDEJGLBQMYFI-UHFFFAOYSA-N 0 0 332.385 3.231 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001130175449 1373469626 /nfs/dbraw/zinc/46/96/26/1373469626.db2.gz MQGQKXWTWUNHJZ-GJZGRUSLSA-N 0 0 334.335 3.280 10 5 EGBERN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001130613875 1373570747 /nfs/dbraw/zinc/57/07/47/1373570747.db2.gz LRIIMVHMEPGNFR-LBDPXKHJSA-N 0 0 345.443 3.362 10 5 EGBERN CCc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001130634370 1373573521 /nfs/dbraw/zinc/57/35/21/1373573521.db2.gz WBNFHYANJARHGB-UHFFFAOYSA-N 0 0 343.339 3.304 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C1Cc2ccccc2C1 ZINC001130756250 1373588434 /nfs/dbraw/zinc/58/84/34/1373588434.db2.gz XMJCCSANJYJQDY-UHFFFAOYSA-N 0 0 333.347 3.497 10 5 EGBERN C[C@H]1C[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1=O ZINC001130761686 1373589066 /nfs/dbraw/zinc/58/90/66/1373589066.db2.gz XOPFHQZKOSATOM-QWRGUYRKSA-N 0 0 327.340 3.087 10 5 EGBERN C[C@H]1CC(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1 ZINC001130943196 1373612580 /nfs/dbraw/zinc/61/25/80/1373612580.db2.gz SPMXLZQCYCYMHU-VXGBXAGGSA-N 0 0 338.379 3.301 10 5 EGBERN CCc1ncc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)s1 ZINC001130954658 1373615149 /nfs/dbraw/zinc/61/51/49/1373615149.db2.gz GTZHKAQBNDVJOJ-UHFFFAOYSA-N 0 0 328.353 3.414 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001130959161 1373616371 /nfs/dbraw/zinc/61/63/71/1373616371.db2.gz ADIGRWSLLMNUSG-LBPRGKRZSA-N 0 0 339.355 3.238 10 5 EGBERN Cc1ccncc1/C=C/C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130960145 1373616462 /nfs/dbraw/zinc/61/64/62/1373616462.db2.gz UWQQEAIDPMSPNI-AATRIKPKSA-N 0 0 334.335 3.498 10 5 EGBERN CCOc1cc(NC(=O)c2nn(CC)cc2Cl)ccc1[N+](=O)[O-] ZINC001130999988 1373622515 /nfs/dbraw/zinc/62/25/15/1373622515.db2.gz CGQDWFBWIAUVJD-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2O1 ZINC001131052296 1373632957 /nfs/dbraw/zinc/63/29/57/1373632957.db2.gz XWLOCHFSHVYHJV-SECBINFHSA-N 0 0 344.279 3.046 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)nn1C(C)C ZINC001131250867 1373669240 /nfs/dbraw/zinc/66/92/40/1373669240.db2.gz LIOAYAJBECXZIB-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131250726 1373669294 /nfs/dbraw/zinc/66/92/94/1373669294.db2.gz FQWUPKYQDIGORN-IAQYHMDHSA-N 0 0 329.356 3.285 10 5 EGBERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC001131284058 1373674767 /nfs/dbraw/zinc/67/47/67/1373674767.db2.gz LUJNSLVJCAZZAA-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN CC(=O)c1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1C ZINC001219279906 1373698525 /nfs/dbraw/zinc/69/85/25/1373698525.db2.gz FNXHHSZBIHRZGO-UHFFFAOYSA-N 0 0 341.367 3.470 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC(F)(F)c2ccccc2C)n1 ZINC001131470038 1373704552 /nfs/dbraw/zinc/70/45/52/1373704552.db2.gz SMXFWZDFVMIMRZ-UHFFFAOYSA-N 0 0 335.310 3.128 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC001131500187 1373711525 /nfs/dbraw/zinc/71/15/25/1373711525.db2.gz BULZFCATOLUROS-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CCOC2 ZINC001131611948 1373731055 /nfs/dbraw/zinc/73/10/55/1373731055.db2.gz GCTXKCOLUHGDIW-UHFFFAOYSA-N 0 0 344.342 3.045 10 5 EGBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC001131637233 1373739295 /nfs/dbraw/zinc/73/92/95/1373739295.db2.gz FHGOXZILUMWFDT-UHFFFAOYSA-N 0 0 330.287 3.317 10 5 EGBERN CCc1cc(Cl)cnc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001131787649 1373806476 /nfs/dbraw/zinc/80/64/76/1373806476.db2.gz MPRCIWQIYNEHSG-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC001188324589 1388290707 /nfs/dbraw/zinc/29/07/07/1388290707.db2.gz KHVKZHRSIVSUDM-ZDUSSCGKSA-N 0 0 327.402 3.025 10 5 EGBERN CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC001224863684 1375080813 /nfs/dbraw/zinc/08/08/13/1375080813.db2.gz OWFGSKUMPNKHKN-HNNXBMFYSA-N 0 0 335.404 3.371 10 5 EGBERN CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc21 ZINC001131990197 1375084952 /nfs/dbraw/zinc/08/49/52/1375084952.db2.gz BTPOXBSGILSRAY-UHFFFAOYSA-N 0 0 337.788 3.406 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001226154277 1375212901 /nfs/dbraw/zinc/21/29/01/1375212901.db2.gz INUWPVAWCMKIKW-NWDGAFQWSA-N 0 0 329.356 3.422 10 5 EGBERN COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001132495059 1375424188 /nfs/dbraw/zinc/42/41/88/1375424188.db2.gz YZNQIONRHVDLKI-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN O=C(NCc1noc2cc(F)ccc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001132717217 1375527161 /nfs/dbraw/zinc/52/71/61/1375527161.db2.gz DWGBPCVHKSFFTN-UHFFFAOYSA-N 0 0 349.705 3.459 10 5 EGBERN COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1C1CC1 ZINC001132750398 1375545698 /nfs/dbraw/zinc/54/56/98/1375545698.db2.gz KEMHWTWCYIMHHJ-UHFFFAOYSA-N 0 0 343.339 3.137 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCCCO2 ZINC001132886096 1375625713 /nfs/dbraw/zinc/62/57/13/1375625713.db2.gz HCSNRZDVCXDGNF-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC001133017375 1375714821 /nfs/dbraw/zinc/71/48/21/1375714821.db2.gz OXMHAXFDKQBOFR-UHFFFAOYSA-N 0 0 342.351 3.432 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC001133092799 1375770288 /nfs/dbraw/zinc/77/02/88/1375770288.db2.gz DIVMPTRMISPICP-HACGYAERSA-N 0 0 332.400 3.406 10 5 EGBERN C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001133420879 1375997743 /nfs/dbraw/zinc/99/77/43/1375997743.db2.gz SUAFAHMFSIVEAV-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN C[C@@H](NC(=O)c1ccc2c(c1)COC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC001133654861 1376140351 /nfs/dbraw/zinc/14/03/51/1376140351.db2.gz UCNTYUGJORKAJP-SNVBAGLBSA-N 0 0 341.323 3.148 10 5 EGBERN O=C(Nc1cncc(Cl)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001133790285 1376208110 /nfs/dbraw/zinc/20/81/10/1376208110.db2.gz PPPDGRWSVWODAF-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN COc1cccc(C(=O)Nc2nc3ccc(C)nc3s2)c1[N+](=O)[O-] ZINC001133814190 1376215388 /nfs/dbraw/zinc/21/53/88/1376215388.db2.gz GQTFRKZGXMLURN-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN Cn1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(F)(F)F ZINC001134148916 1376388722 /nfs/dbraw/zinc/38/87/22/1376388722.db2.gz BKGQKBNVFBSEBQ-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN C[C@H](CNC(=O)c1nccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001134273704 1376449898 /nfs/dbraw/zinc/44/98/98/1376449898.db2.gz BZGOQJCMPOBISR-GFCCVEGCSA-N 0 0 336.351 3.072 10 5 EGBERN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134310505 1376467615 /nfs/dbraw/zinc/46/76/15/1376467615.db2.gz ICBBQKWZQBEQLU-UONOGXRCSA-N 0 0 346.408 3.497 10 5 EGBERN COc1ccc(CC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001134320583 1376474617 /nfs/dbraw/zinc/47/46/17/1376474617.db2.gz XEVHVSCYBRNRMI-QCUYGVNKSA-N 0 0 344.411 3.041 10 5 EGBERN CC(C)c1ccsc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134357908 1376492630 /nfs/dbraw/zinc/49/26/30/1376492630.db2.gz DKGNDKFWTGYZEI-UHFFFAOYSA-N 0 0 333.369 3.131 10 5 EGBERN O=C(NC[C@@H]1CCCC2(CCC2)O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001134382685 1376503225 /nfs/dbraw/zinc/50/32/25/1376503225.db2.gz UPGNVFARDARGLB-LBPRGKRZSA-N 0 0 338.791 3.470 10 5 EGBERN Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001134960550 1376812923 /nfs/dbraw/zinc/81/29/23/1376812923.db2.gz YXCZJTGTYFHGRI-QPJJXVBHSA-N 0 0 327.296 3.463 10 5 EGBERN O=C(NC[C@H]1OCc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001134975134 1376821407 /nfs/dbraw/zinc/82/14/07/1376821407.db2.gz KHVGTPLPVUTEGV-OAHLLOKOSA-N 0 0 348.305 3.074 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001135222161 1376984726 /nfs/dbraw/zinc/98/47/26/1376984726.db2.gz LDLRUPCENVEFHI-SFNKJDCFSA-N 0 0 344.411 3.116 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccsc1 ZINC001135245722 1376998556 /nfs/dbraw/zinc/99/85/56/1376998556.db2.gz YSTPHULXFFVSLR-UHFFFAOYSA-N 0 0 333.413 3.085 10 5 EGBERN CO[C@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001189182221 1388476601 /nfs/dbraw/zinc/47/66/01/1388476601.db2.gz BMZYWPSLPIPVHQ-OAHLLOKOSA-N 0 0 347.371 3.007 10 5 EGBERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136150737 1377358441 /nfs/dbraw/zinc/35/84/41/1377358441.db2.gz DCXKNPPAGGAMIE-JTQLQIEISA-N 0 0 340.339 3.151 10 5 EGBERN Cc1ccccc1OCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136329799 1377377866 /nfs/dbraw/zinc/37/78/66/1377377866.db2.gz ONLQMRFUHKZTRQ-UHFFFAOYSA-N 0 0 343.383 3.027 10 5 EGBERN Cc1nc2ccc(O)cc2cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001136812032 1377425611 /nfs/dbraw/zinc/42/56/11/1377425611.db2.gz URSDAKLILRUQLP-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1cc(Cl)cc(C)c1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137995642 1377661322 /nfs/dbraw/zinc/66/13/22/1377661322.db2.gz LHUFPPVWRRACSY-UHFFFAOYSA-N 0 0 329.143 3.494 10 5 EGBERN C[C@@H](CC1CCCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247262 1377693754 /nfs/dbraw/zinc/69/37/54/1377693754.db2.gz HVPJIYFFNREEHJ-ZDUSSCGKSA-N 0 0 332.400 3.401 10 5 EGBERN CN(CC(=O)N1CCSC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC001140364086 1378052384 /nfs/dbraw/zinc/05/23/84/1378052384.db2.gz OVWZHSOZFOLEKK-UHFFFAOYSA-N 0 0 349.456 3.267 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc(F)c(OC)c1 ZINC001278130008 1378259049 /nfs/dbraw/zinc/25/90/49/1378259049.db2.gz CYBHCMHBPLTLKV-UHFFFAOYSA-N 0 0 335.287 3.360 10 5 EGBERN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001141472299 1378331630 /nfs/dbraw/zinc/33/16/30/1378331630.db2.gz IUKVVWGJINSIBL-OAHLLOKOSA-N 0 0 334.759 3.335 10 5 EGBERN O=C(NCc1nc2ccccc2o1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001141591577 1378347681 /nfs/dbraw/zinc/34/76/81/1378347681.db2.gz IDBHPLJYWWPQKI-UHFFFAOYSA-N 0 0 347.277 3.144 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](c2ccncc2)C1 ZINC001141674146 1378361356 /nfs/dbraw/zinc/36/13/56/1378361356.db2.gz LWVSRUXKTVKWQL-ZDUSSCGKSA-N 0 0 336.351 3.101 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001141877379 1378388774 /nfs/dbraw/zinc/38/87/74/1378388774.db2.gz OLHRYQYFBOJNJT-LBPRGKRZSA-N 0 0 340.807 3.112 10 5 EGBERN O=C(Nc1cnc(C2CC2)nc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001143746888 1378641425 /nfs/dbraw/zinc/64/14/25/1378641425.db2.gz JNPYAKWGPICZEG-UHFFFAOYSA-N 0 0 336.710 3.307 10 5 EGBERN O=C(NCc1cccc(-c2cnco2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001144400195 1378726266 /nfs/dbraw/zinc/72/62/66/1378726266.db2.gz FSBFCVZKFBJFEY-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2ccccc2-c2ncco2)c1[N+](=O)[O-] ZINC001148245564 1379138770 /nfs/dbraw/zinc/13/87/70/1379138770.db2.gz HDHOBDRVXUYIMR-UHFFFAOYSA-N 0 0 341.327 3.349 10 5 EGBERN CC(C)(C)C(=O)c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001148265143 1379141509 /nfs/dbraw/zinc/14/15/09/1379141509.db2.gz ZKDQDPVQDOLCFX-UHFFFAOYSA-N 0 0 343.339 3.177 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1O ZINC001149880695 1379459698 /nfs/dbraw/zinc/45/96/98/1379459698.db2.gz POZMNJIPMQZEEW-UHFFFAOYSA-N 0 0 348.330 3.029 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001150519968 1379561526 /nfs/dbraw/zinc/56/15/26/1379561526.db2.gz MPWDDPFWAQEESU-NSHDSACASA-N 0 0 348.786 3.244 10 5 EGBERN Cc1ccc(O)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001151616556 1379748299 /nfs/dbraw/zinc/74/82/99/1379748299.db2.gz ARCBORLWUSJJRX-UHFFFAOYSA-N 0 0 333.319 3.066 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001152226008 1379889066 /nfs/dbraw/zinc/88/90/66/1379889066.db2.gz HEZLHFFSCUBHBB-UHFFFAOYSA-N 0 0 346.770 3.423 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328040703 1388651800 /nfs/dbraw/zinc/65/18/00/1388651800.db2.gz WPTPVYQGQIVMPN-ZSPDNNCOSA-N 0 0 335.310 3.029 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001154261876 1380242341 /nfs/dbraw/zinc/24/23/41/1380242341.db2.gz FMYSAWVKLLTWKR-LLVKDONJSA-N 0 0 346.770 3.159 10 5 EGBERN O=C(Nc1cnc2[nH]ccc2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001154590867 1380312306 /nfs/dbraw/zinc/31/23/06/1380312306.db2.gz WHXRRWPHCIGIGU-UHFFFAOYSA-N 0 0 336.351 3.483 10 5 EGBERN CCCCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC001155158433 1380417548 /nfs/dbraw/zinc/41/75/48/1380417548.db2.gz BQOYHRWARKMIKW-UHFFFAOYSA-N 0 0 344.371 3.219 10 5 EGBERN CC[C@@H](C)c1ncc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001155557771 1380467994 /nfs/dbraw/zinc/46/79/94/1380467994.db2.gz DDOAVYAATUKEIH-MRVPVSSYSA-N 0 0 349.778 3.386 10 5 EGBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001156277057 1380552057 /nfs/dbraw/zinc/55/20/57/1380552057.db2.gz NPJHEKQFAAGZEW-QHCPKHFHSA-N 0 0 340.307 3.170 10 5 EGBERN Cc1cc([C@H]2CCCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC001157201537 1380807696 /nfs/dbraw/zinc/80/76/96/1380807696.db2.gz ULNQQFZVISHWQD-OAHLLOKOSA-N 0 0 346.362 3.062 10 5 EGBERN CC[C@H](C)n1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1C ZINC001158231789 1381168543 /nfs/dbraw/zinc/16/85/43/1381168543.db2.gz KAYDKVVUAODCHS-JTQLQIEISA-N 0 0 331.376 3.214 10 5 EGBERN O=C(NCc1ccnc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1F ZINC001158571244 1381304257 /nfs/dbraw/zinc/30/42/57/1381304257.db2.gz YSFAVEORFCONIK-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)noc1C(C)(C)C ZINC001287996490 1381473291 /nfs/dbraw/zinc/47/32/91/1381473291.db2.gz WXKKHCZDARQUJY-UHFFFAOYSA-N 0 0 347.327 3.170 10 5 EGBERN COCc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])ccc1OC ZINC001288123350 1381569831 /nfs/dbraw/zinc/56/98/31/1381569831.db2.gz WYIRPTVOJMPXJA-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC001288213902 1381729195 /nfs/dbraw/zinc/72/91/95/1381729195.db2.gz WHIFIXIYBDQYPO-UHFFFAOYSA-N 0 0 341.367 3.058 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC001288215998 1381731834 /nfs/dbraw/zinc/73/18/34/1381731834.db2.gz LQUHVRIHVYRHEF-HWKANZROSA-N 0 0 338.323 3.132 10 5 EGBERN C[C@H](OC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1[N+](=O)[O-] ZINC001288218565 1381733443 /nfs/dbraw/zinc/73/34/43/1381733443.db2.gz DXVARAOMWUPTBE-LBPRGKRZSA-N 0 0 338.323 3.094 10 5 EGBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CCCC2)C1 ZINC001159541666 1381822921 /nfs/dbraw/zinc/82/29/21/1381822921.db2.gz HHGJWCFHJAGUBV-WBVHZDCISA-N 0 0 332.400 3.057 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1F ZINC001288788066 1381939872 /nfs/dbraw/zinc/93/98/72/1381939872.db2.gz ODDZSSPUYMGJNP-CZUORRHYSA-N 0 0 348.305 3.244 10 5 EGBERN C[C@H](NC(=O)c1coc(-c2cccnc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001288790927 1381940409 /nfs/dbraw/zinc/94/04/09/1381940409.db2.gz GHNBNHSMULLKAS-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001159959975 1381950544 /nfs/dbraw/zinc/95/05/44/1381950544.db2.gz PNZMDSWQHKANMZ-SECBINFHSA-N 0 0 331.759 3.422 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cscc1Cl ZINC001288891989 1381961185 /nfs/dbraw/zinc/96/11/85/1381961185.db2.gz DYMHCNDUDKAUBP-UHFFFAOYSA-N 0 0 339.804 3.428 10 5 EGBERN CC(C)Cc1coc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC001288965540 1381967668 /nfs/dbraw/zinc/96/76/68/1381967668.db2.gz REUPFKVKZDJEFL-UHFFFAOYSA-N 0 0 332.360 3.222 10 5 EGBERN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)no1 ZINC001289935157 1382026787 /nfs/dbraw/zinc/02/67/87/1382026787.db2.gz CKZKPUGMHXXVIS-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN CCOC(=O)Cc1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001328586703 1388781973 /nfs/dbraw/zinc/78/19/73/1388781973.db2.gz RVBUZNLMPJDRQB-ZSBIGDGJSA-N 0 0 340.326 3.156 10 5 EGBERN CC(C)COC[C@@H](O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001162083739 1382623777 /nfs/dbraw/zinc/62/37/77/1382623777.db2.gz FFHVFPBXGBVVEO-VIFPVBQESA-N 0 0 337.203 3.347 10 5 EGBERN CCCOc1ccnc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001162094516 1382627443 /nfs/dbraw/zinc/62/74/43/1382627443.db2.gz ADEXPDBFQNIXDC-UHFFFAOYSA-N 0 0 336.779 3.463 10 5 EGBERN Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1[N+](=O)[O-] ZINC001162128071 1382633576 /nfs/dbraw/zinc/63/35/76/1382633576.db2.gz OQFYKMGVEXVACZ-UHFFFAOYSA-N 0 0 339.351 3.338 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001295537110 1382704022 /nfs/dbraw/zinc/70/40/22/1382704022.db2.gz XJURGHIPFVKOKM-IRUJWGPZSA-N 0 0 337.807 3.481 10 5 EGBERN Cc1cc(Br)ccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001162530471 1382781535 /nfs/dbraw/zinc/78/15/35/1382781535.db2.gz HWNDTLLMKFNBDU-UHFFFAOYSA-N 0 0 338.161 3.378 10 5 EGBERN CC(C)[C@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC001162921685 1382917367 /nfs/dbraw/zinc/91/73/67/1382917367.db2.gz JYJVDDOFDOQAJY-MLGOLLRUSA-N 0 0 333.363 3.320 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@H]1OC ZINC001162994734 1382941072 /nfs/dbraw/zinc/94/10/72/1382941072.db2.gz MDFKBMLYBHFAOE-NQBHXWOUSA-N 0 0 334.294 3.218 10 5 EGBERN Cc1c(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)cccc1[N+](=O)[O-] ZINC001163299792 1383015958 /nfs/dbraw/zinc/01/59/58/1383015958.db2.gz AGTVRTFKVYNOCJ-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CSc2ccccc2O1 ZINC001163591375 1383084168 /nfs/dbraw/zinc/08/41/68/1383084168.db2.gz VOXAMZPLLYBKLA-JTQLQIEISA-N 0 0 347.352 3.468 10 5 EGBERN CN(c1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001163823612 1383125759 /nfs/dbraw/zinc/12/57/59/1383125759.db2.gz NTSOVARJAPRVHL-OAHLLOKOSA-N 0 0 342.355 3.218 10 5 EGBERN CN1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942317 1383138218 /nfs/dbraw/zinc/13/82/18/1383138218.db2.gz UBVHPPROKWMIME-MRXNPFEDSA-N 0 0 328.328 3.102 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(O)c(Cl)c2)c1 ZINC001164061845 1383151865 /nfs/dbraw/zinc/15/18/65/1383151865.db2.gz XQUSPEXQDDLPIA-UHFFFAOYSA-N 0 0 336.731 3.353 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H](O)Cc1ccc(F)cc1)CCCC2 ZINC001164151638 1383161148 /nfs/dbraw/zinc/16/11/48/1383161148.db2.gz FACXXSRCQMRAFJ-HNNXBMFYSA-N 0 0 345.374 3.023 10 5 EGBERN COc1cccc(-c2cc(CNc3ncc([N+](=O)[O-])s3)on2)c1 ZINC001164221184 1383167617 /nfs/dbraw/zinc/16/76/17/1383167617.db2.gz VYYWEDZYPSAWFT-UHFFFAOYSA-N 0 0 332.341 3.327 10 5 EGBERN COc1ccc([C@@H](C)CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001164673428 1383216220 /nfs/dbraw/zinc/21/62/20/1383216220.db2.gz MQQWDKPUEBGBFK-ZDUSSCGKSA-N 0 0 349.408 3.489 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)c(Br)c1 ZINC001165627458 1383316853 /nfs/dbraw/zinc/31/68/53/1383316853.db2.gz YVMATNASISYKHN-UHFFFAOYSA-N 0 0 343.564 3.221 10 5 EGBERN CC(C)C[C@H](C)n1nccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298810282 1383432523 /nfs/dbraw/zinc/43/25/23/1383432523.db2.gz WYRYBRVSPAMOPA-QMMMGPOBSA-N 0 0 340.771 3.027 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001166965494 1383506028 /nfs/dbraw/zinc/50/60/28/1383506028.db2.gz GRSWMNOCFNSGES-IPYPFGDCSA-N 0 0 340.383 3.151 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001166965495 1383506321 /nfs/dbraw/zinc/50/63/21/1383506321.db2.gz GRSWMNOCFNSGES-KCQAQPDRSA-N 0 0 340.383 3.151 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN[C@H](c2ccccc2)C1 ZINC001299399179 1383525934 /nfs/dbraw/zinc/52/59/34/1383525934.db2.gz RDPPHTJSUBEJSX-HNNXBMFYSA-N 0 0 345.786 3.035 10 5 EGBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001299752452 1383626525 /nfs/dbraw/zinc/62/65/25/1383626525.db2.gz WXRFBRVZTHNLLL-WMZOPIPTSA-N 0 0 339.326 3.443 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OC)c(O)c1 ZINC001299862787 1383632784 /nfs/dbraw/zinc/63/27/84/1383632784.db2.gz VJOSTRZNPGJTDP-XBXARRHUSA-N 0 0 343.339 3.003 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1(c2ccccc2)CC1 ZINC001299931949 1383635436 /nfs/dbraw/zinc/63/54/36/1383635436.db2.gz IPPUHEBBMALLAN-UHFFFAOYSA-N 0 0 332.306 3.221 10 5 EGBERN CNc1nccc(C(=O)Nc2c(F)cccc2NC(C)C)c1[N+](=O)[O-] ZINC001300046551 1383641054 /nfs/dbraw/zinc/64/10/54/1383641054.db2.gz WDNPNUIFUKWNHB-UHFFFAOYSA-N 0 0 347.350 3.243 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@]2(CC2(F)F)C1 ZINC001300223085 1383653829 /nfs/dbraw/zinc/65/38/29/1383653829.db2.gz STWODAMPWIJDBR-AWEZNQCLSA-N 0 0 344.745 3.439 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001300542692 1383669403 /nfs/dbraw/zinc/66/94/03/1383669403.db2.gz GDSUFDOJBRBMMW-SJORKVTESA-N 0 0 349.346 3.179 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001303656813 1383812132 /nfs/dbraw/zinc/81/21/32/1383812132.db2.gz IWNORSWOLCZOFC-BFPXCNAZSA-N 0 0 334.441 3.484 10 5 EGBERN Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001306954572 1383925633 /nfs/dbraw/zinc/92/56/33/1383925633.db2.gz YHNIKGSRTONQRJ-SNVBAGLBSA-N 0 0 345.321 3.343 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](OC)C(C)(C)C)c2c1 ZINC001306982309 1383929288 /nfs/dbraw/zinc/92/92/88/1383929288.db2.gz YREYKSDDIGVTQY-HNNXBMFYSA-N 0 0 333.388 3.047 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCSC(C)(C)C3)c2c1 ZINC001306988462 1383930637 /nfs/dbraw/zinc/93/06/37/1383930637.db2.gz AIAQTXDRILNMMT-UHFFFAOYSA-N 0 0 333.413 3.483 10 5 EGBERN C/C(=C/c1ccccc1)CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307096181 1383939849 /nfs/dbraw/zinc/93/98/49/1383939849.db2.gz QIQFEXLRCISRQW-RAXLEYEMSA-N 0 0 325.368 3.233 10 5 EGBERN Cc1ccc(CC2CCN(c3c([N+](=O)[O-])cnn3C)CC2)cc1C ZINC001307134233 1383942807 /nfs/dbraw/zinc/94/28/07/1383942807.db2.gz NVXRHBGEUIXYHP-UHFFFAOYSA-N 0 0 328.416 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3nc[nH]c3C2)nc1-c1ccc(F)cc1 ZINC001307134097 1383943322 /nfs/dbraw/zinc/94/33/22/1383943322.db2.gz PCHHAZPBTZRSTE-UHFFFAOYSA-N 0 0 339.330 3.082 10 5 EGBERN Cc1ccc2nnc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)n2c1 ZINC001307145274 1383945026 /nfs/dbraw/zinc/94/50/26/1383945026.db2.gz KPQWGCJCHSNWMX-UHFFFAOYSA-N 0 0 349.297 3.159 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001307146689 1383945743 /nfs/dbraw/zinc/94/57/43/1383945743.db2.gz WKRMHTQGAOQALM-VXGBXAGGSA-N 0 0 336.392 3.094 10 5 EGBERN C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001307150578 1383946323 /nfs/dbraw/zinc/94/63/23/1383946323.db2.gz MCHYQWWFHWXHRZ-GHMZBOCLSA-N 0 0 326.418 3.460 10 5 EGBERN CN(Cc1cccc(=O)[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307216350 1383958326 /nfs/dbraw/zinc/95/83/26/1383958326.db2.gz SHVDNIODVYZPDD-UHFFFAOYSA-N 0 0 327.262 3.351 10 5 EGBERN Cc1ccccc1-c1nnc(SCc2cccnc2[N+](=O)[O-])n1C ZINC001307256880 1383964800 /nfs/dbraw/zinc/96/48/00/1383964800.db2.gz ZQLVMVCMOBAHPT-UHFFFAOYSA-N 0 0 341.396 3.386 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c(Cl)c1 ZINC001307258207 1383964853 /nfs/dbraw/zinc/96/48/53/1383964853.db2.gz ZVQIDPZTSHSUQG-WFASDCNBSA-N 0 0 327.764 3.355 10 5 EGBERN Cn1cc(CSc2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC001307301330 1383967915 /nfs/dbraw/zinc/96/79/15/1383967915.db2.gz JFZRWYFQNFLWCP-UHFFFAOYSA-N 0 0 328.191 3.383 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)c1ccccc1F ZINC001307348781 1383975044 /nfs/dbraw/zinc/97/50/44/1383975044.db2.gz DWUAOKHCVLELKR-UHFFFAOYSA-N 0 0 344.277 3.014 10 5 EGBERN CC(C)c1nc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)no1 ZINC001307401538 1383983385 /nfs/dbraw/zinc/98/33/85/1383983385.db2.gz AMEPEOXBCDJEHT-UHFFFAOYSA-N 0 0 348.750 3.061 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001307406523 1383984029 /nfs/dbraw/zinc/98/40/29/1383984029.db2.gz BPEWQPKGNJWFQU-TVQRCGJNSA-N 0 0 344.770 3.461 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001307828236 1384039065 /nfs/dbraw/zinc/03/90/65/1384039065.db2.gz YWOXAYJZACKWAG-INIZCTEOSA-N 0 0 341.346 3.073 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313380 1384339300 /nfs/dbraw/zinc/33/93/00/1384339300.db2.gz ONUFAXHSANKTPP-GNNBREFNSA-N 0 0 335.404 3.157 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001312379293 1384344347 /nfs/dbraw/zinc/34/43/47/1384344347.db2.gz GOUMHSWBCDIQND-IACUBPJLSA-N 0 0 337.807 3.279 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001170985082 1384423944 /nfs/dbraw/zinc/42/39/44/1384423944.db2.gz QIHVNICBPSVCOK-GOSISDBHSA-N 0 0 348.362 3.106 10 5 EGBERN CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)C(=O)OC(C)(C)C ZINC001171921380 1384682946 /nfs/dbraw/zinc/68/29/46/1384682946.db2.gz UUBYSYDTPVWYDG-SNVBAGLBSA-N 0 0 344.358 3.425 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001175513834 1385317054 /nfs/dbraw/zinc/31/70/54/1385317054.db2.gz YAYBCZCYTNCDFV-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCn2cccc2C1 ZINC001177330681 1385916958 /nfs/dbraw/zinc/91/69/58/1385916958.db2.gz AZZLXJOFIXPVRE-UHFFFAOYSA-N 0 0 340.166 3.359 10 5 EGBERN CN(CCN(C)C(=O)C=C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001319979263 1386431468 /nfs/dbraw/zinc/43/14/68/1386431468.db2.gz TUDYHMJGPXSXMO-UHFFFAOYSA-N 0 0 345.443 3.376 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc(F)c(O)cc1Cl ZINC001179659802 1386542994 /nfs/dbraw/zinc/54/29/94/1386542994.db2.gz FEGGYMDZJIJPSM-UHFFFAOYSA-N 0 0 342.685 3.413 10 5 EGBERN O=C(Nc1ccnn1C1CCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001180063887 1386684640 /nfs/dbraw/zinc/68/46/40/1386684640.db2.gz QBURKKRSWMPAJU-UHFFFAOYSA-N 0 0 337.339 3.317 10 5 EGBERN C[C@@H]1CCC(F)(F)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001180692275 1386864559 /nfs/dbraw/zinc/86/45/59/1386864559.db2.gz GHSQEXNAHZWNMD-SECBINFHSA-N 0 0 332.734 3.437 10 5 EGBERN Cc1cc(NC(=O)[C@](C)(O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001181022726 1386918254 /nfs/dbraw/zinc/91/82/54/1386918254.db2.gz ZAYYTTFBALTLSM-GOSISDBHSA-N 0 0 328.368 3.226 10 5 EGBERN COc1ccc(-c2nnc(Cc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC001322334173 1387161352 /nfs/dbraw/zinc/16/13/52/1387161352.db2.gz YPZQCJBBACQZFT-UHFFFAOYSA-N 0 0 341.323 3.253 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329227247 1389027988 /nfs/dbraw/zinc/02/79/88/1389027988.db2.gz XHJPOCHQPIJIDP-YJBOKZPZSA-N 0 0 337.379 3.424 10 5 EGBERN CO[C@@H](COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC001329455325 1389116531 /nfs/dbraw/zinc/11/65/31/1389116531.db2.gz NVWQFPOFJODLEV-HNNXBMFYSA-N 0 0 343.326 3.164 10 5 EGBERN CCOCCC1(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC001329516295 1389138682 /nfs/dbraw/zinc/13/86/82/1389138682.db2.gz JXAKAAKMQPFPKP-UHFFFAOYSA-N 0 0 349.431 3.299 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329584698 1389166850 /nfs/dbraw/zinc/16/68/50/1389166850.db2.gz SXDHCMLTKHGJNS-UHFFFAOYSA-N 0 0 336.338 3.321 10 5 EGBERN C[C@H]1CCn2ncc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2C1 ZINC001330065205 1389297801 /nfs/dbraw/zinc/29/78/01/1389297801.db2.gz BSPLWLQKGNKOKO-JTQLQIEISA-N 0 0 325.328 3.091 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001330231516 1389354540 /nfs/dbraw/zinc/35/45/40/1389354540.db2.gz BUXSQWHLVAPGSD-BNOWGMLFSA-N 0 0 343.339 3.124 10 5 EGBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1([C@@H]2CCCCO2)CCC1 ZINC001330354322 1389396000 /nfs/dbraw/zinc/39/60/00/1389396000.db2.gz LFWKKKPYVSGLSS-INIZCTEOSA-N 0 0 330.384 3.176 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001330677995 1389494577 /nfs/dbraw/zinc/49/45/77/1389494577.db2.gz KSUAFCBUESBDRF-UHFFFAOYSA-N 0 0 346.836 3.449 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2nccs2)C1 ZINC001332675084 1390147546 /nfs/dbraw/zinc/14/75/46/1390147546.db2.gz HEJISTODLBDXRI-LLVKDONJSA-N 0 0 347.396 3.080 10 5 EGBERN Cc1c(Cc2noc(C[C@H]3CC(C)(C)CO3)n2)cccc1[N+](=O)[O-] ZINC001332737431 1390175412 /nfs/dbraw/zinc/17/54/12/1390175412.db2.gz ASTDFEWFQGQREG-ZDUSSCGKSA-N 0 0 331.372 3.235 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001334740239 1390578101 /nfs/dbraw/zinc/57/81/01/1390578101.db2.gz NBEKXDYGWOTSMB-DDTOSNHZSA-N 0 0 349.337 3.169 10 5 EGBERN Cc1cc(F)ccc1[C@@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001343974296 1390747568 /nfs/dbraw/zinc/74/75/68/1390747568.db2.gz BXPAHEZVCXEUCP-LLVKDONJSA-N 0 0 335.335 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc([C@@H]2COc3ccccc3O2)o1 ZINC001344408115 1390789593 /nfs/dbraw/zinc/78/95/93/1390789593.db2.gz QFDMJVFWNGDPQA-HNNXBMFYSA-N 0 0 339.307 3.466 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001345744699 1390882645 /nfs/dbraw/zinc/88/26/45/1390882645.db2.gz CIFJERNNCJMBIB-CVEARBPZSA-N 0 0 349.387 3.073 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC001347430710 1391074604 /nfs/dbraw/zinc/07/46/04/1391074604.db2.gz PAERDFIJLMROOK-CQSZACIVSA-N 0 0 331.324 3.361 10 5 EGBERN Cc1nc(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])oc1C ZINC001347775302 1391123427 /nfs/dbraw/zinc/12/34/27/1391123427.db2.gz MYDIURRZWGTMPD-UHFFFAOYSA-N 0 0 337.763 3.102 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(Cc2c[nH]cn2)CC1 ZINC001348022799 1391160932 /nfs/dbraw/zinc/16/09/32/1391160932.db2.gz XDDHENGJMAHANJ-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001348036320 1391163360 /nfs/dbraw/zinc/16/33/60/1391163360.db2.gz ILIFRNCEECJLBV-MNUQUWEESA-N 0 0 342.367 3.235 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001348468526 1391224131 /nfs/dbraw/zinc/22/41/31/1391224131.db2.gz KIVXESAAEUCFGH-MRXNPFEDSA-N 0 0 330.340 3.238 10 5 EGBERN C[C@@]1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC001348497866 1391229510 /nfs/dbraw/zinc/22/95/10/1391229510.db2.gz TYJRVMOVXAGARB-GOSISDBHSA-N 0 0 327.336 3.378 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001348697765 1391253554 /nfs/dbraw/zinc/25/35/54/1391253554.db2.gz QPUABPLWSHLCAM-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccccc1 ZINC001348763115 1391263528 /nfs/dbraw/zinc/26/35/28/1391263528.db2.gz NNEHUJZWJCJAJV-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1cc(C)c(OC(=O)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001348807026 1391269956 /nfs/dbraw/zinc/26/99/56/1391269956.db2.gz JXMBUFBCMAWSQF-ZDUSSCGKSA-N 0 0 343.335 3.347 10 5 EGBERN COc1ccc(C)cc1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001348928880 1391284910 /nfs/dbraw/zinc/28/49/10/1391284910.db2.gz JSTDDDYNFKWEJK-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN COc1ccccc1C(F)(F)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001349109732 1391303324 /nfs/dbraw/zinc/30/33/24/1391303324.db2.gz KZJAVAZQOXBPHR-UHFFFAOYSA-N 0 0 348.305 3.285 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349446231 1391331760 /nfs/dbraw/zinc/33/17/60/1391331760.db2.gz FOHIYXNHAWNCQS-IIAWOOMASA-N 0 0 339.351 3.109 10 5 EGBERN CC(C)N=c1ccccn1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349590606 1391343540 /nfs/dbraw/zinc/34/35/40/1391343540.db2.gz CHPORCZXJCMRIY-JKSUJKDBSA-N 0 0 325.368 3.149 10 5 EGBERN COc1ccc(NC(=O)Cc2nsc3ccccc23)c([N+](=O)[O-])c1 ZINC001349952035 1391390316 /nfs/dbraw/zinc/39/03/16/1391390316.db2.gz SORZFSMMJZDYBT-UHFFFAOYSA-N 0 0 343.364 3.394 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NC1CC2(CC2(F)F)C1 ZINC001350501181 1391472083 /nfs/dbraw/zinc/47/20/83/1391472083.db2.gz IUUFKQDHLQHYBF-UHFFFAOYSA-N 0 0 334.120 3.352 10 5 EGBERN COCc1cccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001350508467 1391473154 /nfs/dbraw/zinc/47/31/54/1391473154.db2.gz SAZONDVZQWHBEG-UHFFFAOYSA-N 0 0 332.331 3.119 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350535708 1391476915 /nfs/dbraw/zinc/47/69/15/1391476915.db2.gz NNXPWASLYGJZDM-KWCYVHTRSA-N 0 0 337.326 3.054 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001350617060 1391491024 /nfs/dbraw/zinc/49/10/24/1391491024.db2.gz WEJXMLOCJYSDNB-LBPRGKRZSA-N 0 0 331.299 3.199 10 5 EGBERN O=C(c1cc(F)cc2ccncc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351155125 1391605663 /nfs/dbraw/zinc/60/56/63/1391605663.db2.gz ZZLUMYMIFGVLIG-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN CN(CCOc1ccccc1F)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001352364571 1391788345 /nfs/dbraw/zinc/78/83/45/1391788345.db2.gz HJYFGUFCWKJSBB-UHFFFAOYSA-N 0 0 336.294 3.024 10 5 EGBERN COc1ccc(OC(C)(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001352661607 1391829749 /nfs/dbraw/zinc/82/97/49/1391829749.db2.gz SEBWSVQVFLPCKH-UHFFFAOYSA-N 0 0 330.340 3.400 10 5 EGBERN C[C@H](OC(=O)c1c2c(ccc1F)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001353254626 1391975762 /nfs/dbraw/zinc/97/57/62/1391975762.db2.gz KCJKRYGRRQRSGE-VIFPVBQESA-N 0 0 333.271 3.381 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(F)ccc21 ZINC001353546587 1392036642 /nfs/dbraw/zinc/03/66/42/1392036642.db2.gz QSYQECDNXJWIBD-UHFFFAOYSA-N 0 0 348.355 3.495 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC2(COC2)CC1 ZINC001353583369 1392044315 /nfs/dbraw/zinc/04/43/15/1392044315.db2.gz ZOVLQWPDIGUSOF-UHFFFAOYSA-N 0 0 332.400 3.209 10 5 EGBERN Cc1ccc(OCCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001353651731 1392060792 /nfs/dbraw/zinc/06/07/92/1392060792.db2.gz PHCQACCNMWECEH-MSOLQXFVSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1ccc(OCCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001353651737 1392060872 /nfs/dbraw/zinc/06/08/72/1392060872.db2.gz PHCQACCNMWECEH-ZWKOTPCHSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001353919769 1392108229 /nfs/dbraw/zinc/10/82/29/1392108229.db2.gz GHHGYLUMKRQAJP-QGZVFWFLSA-N 0 0 339.351 3.059 10 5 EGBERN CC(C)(CCC(=O)Nc1ccc(Oc2cnccn2)cc1)[N+](=O)[O-] ZINC001353968560 1392110381 /nfs/dbraw/zinc/11/03/81/1392110381.db2.gz FAZDAXPAPHFFDN-UHFFFAOYSA-N 0 0 330.344 3.043 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001354007875 1392114203 /nfs/dbraw/zinc/11/42/03/1392114203.db2.gz MTERQTFWZPQJLK-UHFFFAOYSA-N 0 0 347.302 3.440 10 5 EGBERN O=C(Oc1ccccc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001354175404 1392124751 /nfs/dbraw/zinc/12/47/51/1392124751.db2.gz VONTUKLAZNYHQR-UHFFFAOYSA-N 0 0 345.261 3.278 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc(F)c(F)c1 ZINC001354286347 1392136388 /nfs/dbraw/zinc/13/63/88/1392136388.db2.gz BONKOBCTIDJEGV-UHFFFAOYSA-N 0 0 338.285 3.261 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC001354534092 1392151120 /nfs/dbraw/zinc/15/11/20/1392151120.db2.gz WQWIETUUKLJQJH-UHFFFAOYSA-N 0 0 348.380 3.482 10 5 EGBERN O=C(OCc1cc(Cl)ccc1OC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001354755806 1392166393 /nfs/dbraw/zinc/16/63/93/1392166393.db2.gz XJAPXWAQUUZGOD-ZIAGYGMSSA-N 0 0 339.775 3.370 10 5 EGBERN CN(C(=O)CC(C)(C)C1CC1)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001483861904 1395119826 /nfs/dbraw/zinc/11/98/26/1395119826.db2.gz YKDAMLQJPBJETC-UHFFFAOYSA-N 0 0 345.443 3.064 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687491884 1396392949 /nfs/dbraw/zinc/39/29/49/1396392949.db2.gz HCXVZYDECQVERQ-IGCXYCKISA-N 0 0 343.383 3.077 10 5 EGBERN CCC(CC)(CC)C(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001494473440 1396450830 /nfs/dbraw/zinc/45/08/30/1396450830.db2.gz GFWRVXHQMBPEIE-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CCCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001690289142 1404449560 /nfs/dbraw/zinc/44/95/60/1404449560.db2.gz VUTTZVXKKODGNB-WKILWMFISA-N 0 0 345.443 3.302 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[C@H]1C[C@H](F)C1 ZINC001693457119 1406016331 /nfs/dbraw/zinc/01/63/31/1406016331.db2.gz DPYPOOHGYZZDFF-CTYIDZIISA-N 0 0 347.394 3.269 10 5 EGBERN CN(CCNC(=O)c1cc(Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001705471826 1417122534 /nfs/dbraw/zinc/12/25/34/1417122534.db2.gz UWXVMSOZMJDWKO-UHFFFAOYSA-N 0 0 339.804 3.176 10 5 EGBERN CN(CCNC(=O)CCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714530042 1419256349 /nfs/dbraw/zinc/25/63/49/1419256349.db2.gz CSMGPDHYTSEZHD-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CC1(NC(=O)C=C2CCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001716794817 1420927982 /nfs/dbraw/zinc/92/79/82/1420927982.db2.gz UARLTQAZPWAXKY-UHFFFAOYSA-N 0 0 349.456 3.237 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)CCOCC ZINC001745660510 1439806618 /nfs/dbraw/zinc/80/66/18/1439806618.db2.gz OJPSDUCDKJURDE-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001764379455 1441389434 /nfs/dbraw/zinc/38/94/34/1441389434.db2.gz ZFJWVVMKOYOEOL-ZFWWWQNUSA-N 0 0 327.388 3.252 10 5 EGBERN CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C(C)C ZINC001766579366 1441402661 /nfs/dbraw/zinc/40/26/61/1441402661.db2.gz NZAQRIXGGDIBIP-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2COc3ccccc3O2)ccc2ncccc21 ZINC000051203348 214083189 /nfs/dbraw/zinc/08/31/89/214083189.db2.gz ZBPHWZFRICPOGL-GFCCVEGCSA-N 0 0 337.335 3.395 10 5 EGBERN Cn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000054443106 214239171 /nfs/dbraw/zinc/23/91/71/214239171.db2.gz RDNIGIVYLLTFHE-UHFFFAOYSA-N 0 0 333.398 3.139 10 5 EGBERN CC[C@H](NC(=O)C1CCC(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000179519342 529470355 /nfs/dbraw/zinc/47/03/55/529470355.db2.gz ZGPAICNZRXEDCQ-ZUEPYMLJSA-N 0 0 348.399 3.142 10 5 EGBERN CC[C@H](NCc1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181537276 529636869 /nfs/dbraw/zinc/63/68/69/529636869.db2.gz HRAUGFPGAKACIT-AWEZNQCLSA-N 0 0 334.401 3.251 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114439527 282302359 /nfs/dbraw/zinc/30/23/59/282302359.db2.gz YFSMHBURXGAUTE-GOSISDBHSA-N 0 0 346.431 3.147 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000370572898 168513975 /nfs/dbraw/zinc/51/39/75/168513975.db2.gz WDHJKXGHYQIVQK-CQSZACIVSA-N 0 0 344.371 3.084 10 5 EGBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1ccccc1F ZINC000040627461 213361373 /nfs/dbraw/zinc/36/13/73/213361373.db2.gz BVFWVWVLBNYCGW-UHFFFAOYSA-N 0 0 326.291 3.406 10 5 EGBERN CC(C)c1ccc(Oc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1 ZINC000040611121 213357735 /nfs/dbraw/zinc/35/77/35/213357735.db2.gz AGUGGZBCEIRQNE-UHFFFAOYSA-N 0 0 325.328 3.486 10 5 EGBERN CCN(CCOC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001724670 209787101 /nfs/dbraw/zinc/78/71/01/209787101.db2.gz NXKMIQPTQLJINU-UHFFFAOYSA-N 0 0 344.367 3.043 10 5 EGBERN O=[N+]([O-])c1c2nsnc2c(Br)cc1Br ZINC000038885710 213229953 /nfs/dbraw/zinc/22/99/53/213229953.db2.gz LPGQFBWRTSXXOY-UHFFFAOYSA-N 0 0 338.968 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000183373246 235033220 /nfs/dbraw/zinc/03/32/20/235033220.db2.gz FPDNSBUASOIBMS-HSZRJFAPSA-N 0 0 332.425 3.273 10 5 EGBERN CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037975665 213179041 /nfs/dbraw/zinc/17/90/41/213179041.db2.gz KUUBYVQRYXBHTK-SNVBAGLBSA-N 0 0 334.825 3.351 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc2c(c1)CCCO2 ZINC000189793830 237258871 /nfs/dbraw/zinc/25/88/71/237258871.db2.gz XUQDFJBIJKGACG-UHFFFAOYSA-N 0 0 348.380 3.067 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000074235298 216468236 /nfs/dbraw/zinc/46/82/36/216468236.db2.gz XTHUCVQSEUPJMP-AAEUAGOBSA-N 0 0 349.387 3.227 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000023512250 212381093 /nfs/dbraw/zinc/38/10/93/212381093.db2.gz CJDNDFWOILFMRI-OLZOCXBDSA-N 0 0 344.367 3.248 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000075291656 216605227 /nfs/dbraw/zinc/60/52/27/216605227.db2.gz RKSBZFPHRDUVLK-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](c1ccccc1C)C(C)C ZINC000112258697 241538644 /nfs/dbraw/zinc/53/86/44/241538644.db2.gz JRACOYGCSOQGSB-SFHVURJKSA-N 0 0 344.415 3.264 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000374848940 168786761 /nfs/dbraw/zinc/78/67/61/168786761.db2.gz ZLDPLLRSSZLUFP-JTQLQIEISA-N 0 0 336.373 3.105 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000264042680 246009976 /nfs/dbraw/zinc/00/99/76/246009976.db2.gz OMTSKIJANWGTLT-HNNXBMFYSA-N 0 0 326.352 3.384 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](Cc2ccncc2)C1 ZINC000376271219 168887820 /nfs/dbraw/zinc/88/78/20/168887820.db2.gz UPHBYANPCNLHQF-ZNNBYXKUSA-N 0 0 337.379 3.094 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378384611 169111731 /nfs/dbraw/zinc/11/17/31/169111731.db2.gz BURXZINNHMNRQS-DOTOQJQBSA-N 0 0 326.352 3.102 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000378388544 169112688 /nfs/dbraw/zinc/11/26/88/169112688.db2.gz IVUCBJNPCBAKAK-DOTOQJQBSA-N 0 0 326.352 3.102 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000408376484 169173174 /nfs/dbraw/zinc/17/31/74/169173174.db2.gz SNCJKDALTMIRBH-RNCFNFMXSA-N 0 0 339.189 3.372 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000408444934 169178356 /nfs/dbraw/zinc/17/83/56/169178356.db2.gz XXYOQFPUHONKLA-INIZCTEOSA-N 0 0 332.400 3.325 10 5 EGBERN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000012975667 211495312 /nfs/dbraw/zinc/49/53/12/211495312.db2.gz SJDJEVRBGAVNOR-LLVKDONJSA-N 0 0 343.339 3.249 10 5 EGBERN Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000012740180 211441540 /nfs/dbraw/zinc/44/15/40/211441540.db2.gz NLSOAXMDHOPQKX-JTQLQIEISA-N 0 0 340.339 3.484 10 5 EGBERN CC[C@H](NC(=O)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090467194 217931761 /nfs/dbraw/zinc/93/17/61/217931761.db2.gz FFZLEBVVKMNMFI-HOTGVXAUSA-N 0 0 326.352 3.338 10 5 EGBERN CC1CCC(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000009762263 211122645 /nfs/dbraw/zinc/12/26/45/211122645.db2.gz YNWZDMXFHVXKFJ-QPJJXVBHSA-N 0 0 346.383 3.169 10 5 EGBERN O=C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2N1 ZINC000351884631 284797809 /nfs/dbraw/zinc/79/78/09/284797809.db2.gz ZSLFIOUIJJWVRZ-UHFFFAOYSA-N 0 0 333.294 3.222 10 5 EGBERN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000008755538 211001027 /nfs/dbraw/zinc/00/10/27/211001027.db2.gz KPPMIZJLXQOCFA-UHFFFAOYSA-N 0 0 343.339 3.113 10 5 EGBERN CC[C@@H](NC(=O)N1CCC2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000267372897 250993840 /nfs/dbraw/zinc/99/38/40/250993840.db2.gz KIYCRUDMGOMZEF-MRXNPFEDSA-N 0 0 347.415 3.258 10 5 EGBERN O=C1[C@H]2C[C@H](C3CCCCC3)CN2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000349241804 285010165 /nfs/dbraw/zinc/01/01/65/285010165.db2.gz IMAUJZPVOJNXEO-XJKSGUPXSA-N 0 0 343.383 3.332 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])NC3=O)cc1 ZINC000004929027 210326751 /nfs/dbraw/zinc/32/67/51/210326751.db2.gz BNASVFNLJBRDKP-MRXNPFEDSA-N 0 0 334.335 3.126 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cc1C(F)(F)F ZINC000267023380 285130726 /nfs/dbraw/zinc/13/07/26/285130726.db2.gz JZAJCQGNBGJOCC-SNVBAGLBSA-N 0 0 344.211 3.117 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(OCCc2ccccc2)CC1 ZINC000340150179 285187799 /nfs/dbraw/zinc/18/77/99/285187799.db2.gz RPOIDJJQVMMRLA-UHFFFAOYSA-N 0 0 327.384 3.218 10 5 EGBERN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115472605 220855599 /nfs/dbraw/zinc/85/55/99/220855599.db2.gz BRVOYMKYUXHKEQ-ZDUSSCGKSA-N 0 0 328.372 3.011 10 5 EGBERN C[C@H]1CCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccn2)C1 ZINC000408513140 257984875 /nfs/dbraw/zinc/98/48/75/257984875.db2.gz WPQQFYNFJXLYLJ-NSHDSACASA-N 0 0 344.346 3.227 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000363834683 533405652 /nfs/dbraw/zinc/40/56/52/533405652.db2.gz RLMDAPOVFKUZMN-XBOKISCZSA-N 0 0 330.384 3.072 10 5 EGBERN CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187604144 533460242 /nfs/dbraw/zinc/46/02/42/533460242.db2.gz AZVBAIMEQLLDAM-HEHGZKQESA-N 0 0 335.404 3.031 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000057926251 307347769 /nfs/dbraw/zinc/34/77/69/307347769.db2.gz IREZBNZRMWYDRL-SNVBAGLBSA-N 0 0 332.447 3.246 10 5 EGBERN CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000338014738 141073561 /nfs/dbraw/zinc/07/35/61/141073561.db2.gz DCBAPPOZJGOBBM-UHFFFAOYSA-N 0 0 328.368 3.438 10 5 EGBERN CCOC(=O)CC(C)(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000341182166 141133779 /nfs/dbraw/zinc/13/37/79/141133779.db2.gz GZRQHELXDGBHIO-GFCCVEGCSA-N 0 0 348.399 3.242 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)nc2c1 ZINC000344484637 141163195 /nfs/dbraw/zinc/16/31/95/141163195.db2.gz NYWRSEKNAITBQO-UHFFFAOYSA-N 0 0 349.350 3.442 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccn(C2CCCCC2)n1 ZINC000348148375 141239203 /nfs/dbraw/zinc/23/92/03/141239203.db2.gz SPBFZOJLLFRAFN-UHFFFAOYSA-N 0 0 342.399 3.269 10 5 EGBERN COC(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)cc([N+](=O)[O-])c1 ZINC000356270314 141332928 /nfs/dbraw/zinc/33/29/28/141332928.db2.gz BOQKZTQNNTVKKG-UHFFFAOYSA-N 0 0 334.372 3.080 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000356832280 141350855 /nfs/dbraw/zinc/35/08/55/141350855.db2.gz KJAGGBCWYVRSDJ-ZETCQYMHSA-N 0 0 337.304 3.146 10 5 EGBERN CCc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1[N+](=O)[O-] ZINC000175334376 144062727 /nfs/dbraw/zinc/06/27/27/144062727.db2.gz PZZYHWOXOIDHCS-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(C)on1 ZINC000184680971 144097315 /nfs/dbraw/zinc/09/73/15/144097315.db2.gz XCORKQZZSVSQHK-CQSZACIVSA-N 0 0 331.372 3.119 10 5 EGBERN CN(Cc1cc[nH]n1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000351842582 144315321 /nfs/dbraw/zinc/31/53/21/144315321.db2.gz WYESWHADXIQKMI-UHFFFAOYSA-N 0 0 336.351 3.185 10 5 EGBERN CC(=O)c1ccc(Nc2cccc([C@@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC000351847750 144315751 /nfs/dbraw/zinc/31/57/51/144315751.db2.gz BKEHMYMOCVYEPD-AWEZNQCLSA-N 0 0 339.351 3.145 10 5 EGBERN COc1cc(CSc2nc(=O)ccn2C(C)C)ccc1[N+](=O)[O-] ZINC000351845497 144315859 /nfs/dbraw/zinc/31/58/59/144315859.db2.gz KXSKEYUZVCMBNP-UHFFFAOYSA-N 0 0 335.385 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCCC2)c2ncccc12 ZINC000361715494 144353831 /nfs/dbraw/zinc/35/38/31/144353831.db2.gz QPQNZWMAAAVPNC-UHFFFAOYSA-N 0 0 349.412 3.002 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c(Cl)c1 ZINC000375406330 144594936 /nfs/dbraw/zinc/59/49/36/144594936.db2.gz TXWMLHSPKMFGEQ-GFCCVEGCSA-N 0 0 348.790 3.498 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000341078750 155144346 /nfs/dbraw/zinc/14/43/46/155144346.db2.gz ZZYBPOXPNFNTSM-CABCVRRESA-N 0 0 330.388 3.452 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC[C@H]1CC1CCC1 ZINC000341341010 155241917 /nfs/dbraw/zinc/24/19/17/155241917.db2.gz ATIHFUOQSNFQPF-OAHLLOKOSA-N 0 0 344.367 3.372 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116095887 152043065 /nfs/dbraw/zinc/04/30/65/152043065.db2.gz HCOJRRBWUOBVSI-SWLSCSKDSA-N 0 0 332.306 3.467 10 5 EGBERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116410039 152059498 /nfs/dbraw/zinc/05/94/98/152059498.db2.gz AQNJLOJMCKHOQJ-SNVBAGLBSA-N 0 0 349.778 3.003 10 5 EGBERN CN(C(=O)CN1CC2(CC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000172639524 152807929 /nfs/dbraw/zinc/80/79/29/152807929.db2.gz HCJYPRMSLVYUII-UHFFFAOYSA-N 0 0 337.379 3.109 10 5 EGBERN Cc1c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189577593 153080718 /nfs/dbraw/zinc/08/07/18/153080718.db2.gz MHKJUJBJOFQHRW-ZDUSSCGKSA-N 0 0 329.404 3.195 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189615096 153085045 /nfs/dbraw/zinc/08/50/45/153085045.db2.gz QZUJOJVAKOTGDT-QWRGUYRKSA-N 0 0 347.346 3.118 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341631404 155392797 /nfs/dbraw/zinc/39/27/97/155392797.db2.gz GRENSYVEHQEWQN-UHFFFAOYSA-N 0 0 348.305 3.013 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)COCC(F)F ZINC000341638966 155394041 /nfs/dbraw/zinc/39/40/41/155394041.db2.gz MOMGIVDRFVHFAC-UHFFFAOYSA-N 0 0 346.330 3.240 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000246998322 292289209 /nfs/dbraw/zinc/28/92/09/292289209.db2.gz LKWJVHWONLNWPB-MLGOLLRUSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1nn(C)c(N2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1[N+](=O)[O-] ZINC000336940991 154243936 /nfs/dbraw/zinc/24/39/36/154243936.db2.gz YAENRDACNCPREH-MRXNPFEDSA-N 0 0 336.342 3.159 10 5 EGBERN CCc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000337393131 154330226 /nfs/dbraw/zinc/33/02/26/154330226.db2.gz BISUMGJSLIUJFL-UHFFFAOYSA-N 0 0 346.314 3.320 10 5 EGBERN CNc1c(C(=O)NCCc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000337634341 154459117 /nfs/dbraw/zinc/45/91/17/154459117.db2.gz DUNFZYNXQNXJQZ-UHFFFAOYSA-N 0 0 338.367 3.090 10 5 EGBERN CO[C@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000337866343 154554417 /nfs/dbraw/zinc/55/44/17/154554417.db2.gz LBFZTULWMVCGRS-MRVPVSSYSA-N 0 0 332.341 3.494 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000339997172 155064835 /nfs/dbraw/zinc/06/48/35/155064835.db2.gz AIXRETSUVBPDEW-UHFFFAOYSA-N 0 0 334.372 3.485 10 5 EGBERN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341063794 155131644 /nfs/dbraw/zinc/13/16/44/155131644.db2.gz FGMZQLBSYZXCOQ-BETUJISGSA-N 0 0 344.415 3.069 10 5 EGBERN C[C@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000341773157 155468845 /nfs/dbraw/zinc/46/88/45/155468845.db2.gz PIIGRTZNJOKZMS-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2F)cc(OC)c1O ZINC000359909115 156826598 /nfs/dbraw/zinc/82/65/98/156826598.db2.gz YGCORDZGKDVFGG-UHFFFAOYSA-N 0 0 336.319 3.377 10 5 EGBERN Cc1cc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000360131486 156927011 /nfs/dbraw/zinc/92/70/11/156927011.db2.gz MAFWKTQOCREYLY-UHFFFAOYSA-N 0 0 340.426 3.060 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000362091443 157017196 /nfs/dbraw/zinc/01/71/96/157017196.db2.gz UZIPTOOGDWSUSL-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000126338932 162300714 /nfs/dbraw/zinc/30/07/14/162300714.db2.gz FKDWAQSCTANDAC-JOYOIKCWSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1ncsc1-c1nc(COc2cc([N+](=O)[O-])ccc2C)no1 ZINC000127235154 162327435 /nfs/dbraw/zinc/32/74/35/162327435.db2.gz BHPTVSVLDNDLRR-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN Cc1nc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000134064574 162479489 /nfs/dbraw/zinc/47/94/89/162479489.db2.gz LNCXHXLFPZJDRG-LBPRGKRZSA-N 0 0 327.340 3.193 10 5 EGBERN CCSCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000337170789 163152012 /nfs/dbraw/zinc/15/20/12/163152012.db2.gz DFDDRUFLYXOMEB-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000338645740 163304507 /nfs/dbraw/zinc/30/45/07/163304507.db2.gz SIXJGDGEIGKFAM-CQSZACIVSA-N 0 0 348.428 3.387 10 5 EGBERN CN(C)c1nc(COc2ccc([N+](=O)[O-])c3ccccc23)ns1 ZINC000340484801 163589605 /nfs/dbraw/zinc/58/96/05/163589605.db2.gz FFBRHFRJXIMKOU-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC=CCC2)cc1OC ZINC000343839069 164048147 /nfs/dbraw/zinc/04/81/47/164048147.db2.gz QFHDCZLMHOKCND-CYBMUJFWSA-N 0 0 348.399 3.430 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccnc1C ZINC000344201825 164125869 /nfs/dbraw/zinc/12/58/69/164125869.db2.gz SUFPJYVENKAECV-UHFFFAOYSA-N 0 0 335.310 3.172 10 5 EGBERN CC1(C)C(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000344213474 164128248 /nfs/dbraw/zinc/12/82/48/164128248.db2.gz QGOAZEVIOZBSOO-UHFFFAOYSA-N 0 0 326.343 3.214 10 5 EGBERN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000344216720 164129066 /nfs/dbraw/zinc/12/90/66/164129066.db2.gz VUUDFGQJKPHVAC-LLVKDONJSA-N 0 0 329.381 3.488 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCCC1(F)CCC1 ZINC000345570480 164217334 /nfs/dbraw/zinc/21/73/34/164217334.db2.gz OTPXTKNSULYRPM-UHFFFAOYSA-N 0 0 343.786 3.372 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F ZINC000345853314 164279739 /nfs/dbraw/zinc/27/97/39/164279739.db2.gz XBAZEPAJBMSQHW-YUMQZZPRSA-N 0 0 336.747 3.110 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(F)(F)F ZINC000346005506 164315243 /nfs/dbraw/zinc/31/52/43/164315243.db2.gz YPRBJMCQVLXPBM-RXMQYKEDSA-N 0 0 330.184 3.294 10 5 EGBERN C[C@H]1[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)[C@H]1c1ccccc1 ZINC000346883726 164435448 /nfs/dbraw/zinc/43/54/48/164435448.db2.gz YZOIHNAVMRAAIB-LQAWEQHXSA-N 0 0 336.351 3.481 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000348752733 164807566 /nfs/dbraw/zinc/80/75/66/164807566.db2.gz HFGOQMITEZVUBO-QGZVFWFLSA-N 0 0 325.368 3.222 10 5 EGBERN CCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)o1 ZINC000349870208 164963793 /nfs/dbraw/zinc/96/37/93/164963793.db2.gz AMYOGJLLFQKJHK-UHFFFAOYSA-N 0 0 341.270 3.307 10 5 EGBERN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000350124868 165008812 /nfs/dbraw/zinc/00/88/12/165008812.db2.gz RSWNMHMQWFDFCM-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@]2(CCCOC2)C1 ZINC000352418936 165392327 /nfs/dbraw/zinc/39/23/27/165392327.db2.gz JKXMYPSIOLYAPH-GOSISDBHSA-N 0 0 344.367 3.374 10 5 EGBERN CN(Cc1cc[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355164266 166121229 /nfs/dbraw/zinc/12/12/29/166121229.db2.gz ZBHKINVNXQEJMC-UHFFFAOYSA-N 0 0 343.265 3.001 10 5 EGBERN Cc1sc(C(=O)NCCCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000355190382 166127231 /nfs/dbraw/zinc/12/72/31/166127231.db2.gz PQTGZOWXDGLEHX-UHFFFAOYSA-N 0 0 334.397 3.472 10 5 EGBERN CC1(C2CC2)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000355452496 166205103 /nfs/dbraw/zinc/20/51/03/166205103.db2.gz FTDWRZBOUYUGRK-UHFFFAOYSA-N 0 0 331.416 3.436 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000355962914 166360737 /nfs/dbraw/zinc/36/07/37/166360737.db2.gz XYOWSCRLZMEMBS-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000355969287 166362343 /nfs/dbraw/zinc/36/23/43/166362343.db2.gz RRASYVMNBSGEHC-CQSZACIVSA-N 0 0 327.384 3.185 10 5 EGBERN C[C@@H](NC(=O)NCc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000357813964 166781453 /nfs/dbraw/zinc/78/14/53/166781453.db2.gz JCUFOQNWJMPYIM-LLVKDONJSA-N 0 0 339.355 3.032 10 5 EGBERN Cc1cnc(N[C@H](c2ccn(C)n2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000358463337 166871484 /nfs/dbraw/zinc/87/14/84/166871484.db2.gz KWPLFXYGRTZPRH-INIZCTEOSA-N 0 0 341.346 3.372 10 5 EGBERN COc1ccc(CSc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000358927761 167008161 /nfs/dbraw/zinc/00/81/61/167008161.db2.gz BRAWMZQAYUCRJT-UHFFFAOYSA-N 0 0 334.401 3.292 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000358962235 167019625 /nfs/dbraw/zinc/01/96/25/167019625.db2.gz BJQSYZSTFMOYBS-SNVBAGLBSA-N 0 0 346.330 3.082 10 5 EGBERN CC(C)CSCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358992618 167030986 /nfs/dbraw/zinc/03/09/86/167030986.db2.gz DDBALOAPMGUAFD-UHFFFAOYSA-N 0 0 348.371 3.315 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 ZINC000359037716 167045811 /nfs/dbraw/zinc/04/58/11/167045811.db2.gz BDWMTDPRELUGHL-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 ZINC000359082167 167062162 /nfs/dbraw/zinc/06/21/62/167062162.db2.gz LAHHCIPGBIQVQA-SNVBAGLBSA-N 0 0 328.328 3.070 10 5 EGBERN COc1cc(NCCNc2nc(C)cc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000359102691 167067298 /nfs/dbraw/zinc/06/72/98/167067298.db2.gz TWJZGLURVMRXGJ-UHFFFAOYSA-N 0 0 346.387 3.148 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359105034 167067695 /nfs/dbraw/zinc/06/76/95/167067695.db2.gz WJRZLFRAOJIBPB-AWEZNQCLSA-N 0 0 342.399 3.306 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000359109278 167069060 /nfs/dbraw/zinc/06/90/60/167069060.db2.gz OGFQRQDAVGMHQH-ZDUSSCGKSA-N 0 0 338.371 3.360 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000359169696 167087160 /nfs/dbraw/zinc/08/71/60/167087160.db2.gz BPVQDCDNCRCEKB-RDTXWAMCSA-N 0 0 331.416 3.070 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000359547033 167187316 /nfs/dbraw/zinc/18/73/16/167187316.db2.gz RHOUFVAJPSPJMM-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN O=C(NCCC1(F)CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000360220059 167275035 /nfs/dbraw/zinc/27/50/35/167275035.db2.gz GSIKEKKFKQQKRQ-UHFFFAOYSA-N 0 0 345.168 3.369 10 5 EGBERN Cc1c(CNC(=O)c2ccc3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000360527082 167349318 /nfs/dbraw/zinc/34/93/18/167349318.db2.gz WIMKYFYTYASGSY-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000360786621 167412202 /nfs/dbraw/zinc/41/22/02/167412202.db2.gz KFOMTSPDSNWQKR-LLVKDONJSA-N 0 0 335.747 3.285 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1c[nH]c2ccc(F)cc12 ZINC000360901578 167444171 /nfs/dbraw/zinc/44/41/71/167444171.db2.gz LHQWQLQNYZTHKQ-UHFFFAOYSA-N 0 0 331.351 3.395 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000361031700 167491035 /nfs/dbraw/zinc/49/10/35/167491035.db2.gz XKWFCDPEVOJAFJ-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN CNc1c(C(=O)NCc2ccc(SC)cc2)cccc1[N+](=O)[O-] ZINC000361179917 167546660 /nfs/dbraw/zinc/54/66/60/167546660.db2.gz PBSQLMJLDQTQOO-UHFFFAOYSA-N 0 0 331.397 3.288 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000363258934 167904714 /nfs/dbraw/zinc/90/47/14/167904714.db2.gz KBYAQUFCXHYXPZ-OAHLLOKOSA-N 0 0 340.379 3.210 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC[C@H]1c1ccco1 ZINC000365065911 168017562 /nfs/dbraw/zinc/01/75/62/168017562.db2.gz GQZIZAGRCCZCTH-HNNXBMFYSA-N 0 0 345.355 3.410 10 5 EGBERN COc1cc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000367373378 168216473 /nfs/dbraw/zinc/21/64/73/168216473.db2.gz XLTLNDPEYPZWLK-OLZOCXBDSA-N 0 0 338.379 3.386 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000367490289 168233219 /nfs/dbraw/zinc/23/32/19/168233219.db2.gz RWYXLVDUVAVOIB-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158829652 225092470 /nfs/dbraw/zinc/09/24/70/225092470.db2.gz GQEODDDJQKNWBZ-RYUDHWBXSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCCCCO3)cc2[N+](=O)[O-])C1 ZINC000351681431 287360228 /nfs/dbraw/zinc/36/02/28/287360228.db2.gz ZONXKOFUCLYWBS-CQSZACIVSA-N 0 0 347.415 3.389 10 5 EGBERN CN(C(=O)CCc1nnc(C2CCCC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000160226140 225365528 /nfs/dbraw/zinc/36/55/28/225365528.db2.gz HUMKCAALZKMZOL-UHFFFAOYSA-N 0 0 344.371 3.231 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](CNc2ccccn2)C1 ZINC000171364936 227042099 /nfs/dbraw/zinc/04/20/99/227042099.db2.gz HLCYLGCDYDDVIF-CQSZACIVSA-N 0 0 349.394 3.476 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000123629720 222308480 /nfs/dbraw/zinc/30/84/80/222308480.db2.gz WFWPKOSCDYDXSK-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN C[C@@H](SC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131278264 264759785 /nfs/dbraw/zinc/75/97/85/264759785.db2.gz SITQZVDFXHTJAM-SECBINFHSA-N 0 0 344.820 3.487 10 5 EGBERN C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000175169521 265098212 /nfs/dbraw/zinc/09/82/12/265098212.db2.gz IJEZLBPHOFHQGU-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000175426306 265114359 /nfs/dbraw/zinc/11/43/59/265114359.db2.gz UPDNRLWMIKHUMH-JTQLQIEISA-N 0 0 335.385 3.344 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000175669508 265129190 /nfs/dbraw/zinc/12/91/90/265129190.db2.gz WFFANHDRTFGOFC-QWRGUYRKSA-N 0 0 344.820 3.059 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000176702859 265197622 /nfs/dbraw/zinc/19/76/22/265197622.db2.gz IEMXNNBKXSTYPG-MRXNPFEDSA-N 0 0 328.372 3.283 10 5 EGBERN Cc1nc2sc3c(c2c(-n2cc([N+](=O)[O-])cn2)n1)CC[C@H](C)C3 ZINC000176835179 265208588 /nfs/dbraw/zinc/20/85/88/265208588.db2.gz XLYTVRMEVQGCIJ-QMMMGPOBSA-N 0 0 329.385 3.218 10 5 EGBERN CC(C)(NC(=O)CCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000176886379 265211447 /nfs/dbraw/zinc/21/14/47/265211447.db2.gz JQRKONXOEQZVBP-UHFFFAOYSA-N 0 0 328.368 3.285 10 5 EGBERN CC[C@H](NC(=O)c1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000177782176 265277407 /nfs/dbraw/zinc/27/74/07/265277407.db2.gz BHKVPNNMMNHUAH-HNNXBMFYSA-N 0 0 342.351 3.247 10 5 EGBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1cccc(C)c1 ZINC000178031316 265290767 /nfs/dbraw/zinc/29/07/67/265290767.db2.gz ZWPBUCRSLHVNQC-OAHLLOKOSA-N 0 0 343.383 3.194 10 5 EGBERN CSc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000178616364 265329634 /nfs/dbraw/zinc/32/96/34/265329634.db2.gz TXUGZWWNKRPXLV-UHFFFAOYSA-N 0 0 330.409 3.484 10 5 EGBERN CN(CC1CCOCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179432541 265377747 /nfs/dbraw/zinc/37/77/47/265377747.db2.gz CRUVCGOOIMIJJK-UHFFFAOYSA-N 0 0 334.397 3.308 10 5 EGBERN O=C(CSc1ccc(C(F)(F)F)nn1)c1cccc([N+](=O)[O-])c1 ZINC000186829894 265556983 /nfs/dbraw/zinc/55/69/83/265556983.db2.gz CNPUIOCUAZQFFL-UHFFFAOYSA-N 0 0 343.286 3.379 10 5 EGBERN Cc1ccc(C(=O)NCCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000188672638 265696591 /nfs/dbraw/zinc/69/65/91/265696591.db2.gz IEJQDNYZTCYHNG-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189586929 265776423 /nfs/dbraw/zinc/77/64/23/265776423.db2.gz KZJDVSDJMQVASD-JTQLQIEISA-N 0 0 349.774 3.072 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(F)(F)F)c2ccccc2)n1 ZINC000191604321 265919978 /nfs/dbraw/zinc/91/99/78/265919978.db2.gz AUVBWAOSZLHKQJ-UHFFFAOYSA-N 0 0 342.277 3.020 10 5 EGBERN Cc1sc(C(=O)Nc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000192014127 265943803 /nfs/dbraw/zinc/94/38/03/265943803.db2.gz AWLRNTDDGZWFPN-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN COc1cccc(C(=O)NCc2ccc(SC)cc2)c1[N+](=O)[O-] ZINC000194137002 266093887 /nfs/dbraw/zinc/09/38/87/266093887.db2.gz GLPWGSWPSHZGBU-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000194147960 266094107 /nfs/dbraw/zinc/09/41/07/266094107.db2.gz ADEYQQFCQMTGHP-ZFWWWQNUSA-N 0 0 346.431 3.219 10 5 EGBERN COc1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000194165796 266094945 /nfs/dbraw/zinc/09/49/45/266094945.db2.gz DPCXAYZJMGLQQG-KGLIPLIRSA-N 0 0 330.315 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194266933 266102343 /nfs/dbraw/zinc/10/23/43/266102343.db2.gz KTUOWSWXSORKGT-UHFFFAOYSA-N 0 0 340.339 3.406 10 5 EGBERN CCOc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000194451924 266119164 /nfs/dbraw/zinc/11/91/64/266119164.db2.gz WEGPBNKLEDPRHY-NSHDSACASA-N 0 0 329.356 3.188 10 5 EGBERN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)sc2c1 ZINC000195524137 266186901 /nfs/dbraw/zinc/18/69/01/266186901.db2.gz MUTIFECUNSXZDJ-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN NC(=O)C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000228849203 266203146 /nfs/dbraw/zinc/20/31/46/266203146.db2.gz ZTGQTUOSUFGBEO-UHFFFAOYSA-N 0 0 332.187 3.358 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000272024381 266757678 /nfs/dbraw/zinc/75/76/78/266757678.db2.gz VSGSJGFAIWNVCI-UHFFFAOYSA-N 0 0 342.395 3.317 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000272308300 266815040 /nfs/dbraw/zinc/81/50/40/266815040.db2.gz YTFJAASELUKBPF-GXTWGEPZSA-N 0 0 340.807 3.117 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000273350283 267024941 /nfs/dbraw/zinc/02/49/41/267024941.db2.gz SWZWVLMYIIJAMO-LMMOQWNQSA-N 0 0 343.387 3.117 10 5 EGBERN CC(C)(C(=O)NCCc1ccccc1O)c1ccc([N+](=O)[O-])cc1F ZINC000273860296 267127076 /nfs/dbraw/zinc/12/70/76/267127076.db2.gz NQCBZWGROOSOQK-UHFFFAOYSA-N 0 0 346.358 3.076 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277861598 267885955 /nfs/dbraw/zinc/88/59/55/267885955.db2.gz ALFSJRRCWDYTQR-VIFPVBQESA-N 0 0 347.293 3.410 10 5 EGBERN CC1(C)CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000278441917 268014081 /nfs/dbraw/zinc/01/40/81/268014081.db2.gz URDWDHXMYVXWDK-LBPRGKRZSA-N 0 0 346.305 3.187 10 5 EGBERN COc1ccc(F)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376403 275161736 /nfs/dbraw/zinc/16/17/36/275161736.db2.gz KBXCEVNDXQIDIA-SNVBAGLBSA-N 0 0 330.315 3.334 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000106604323 275169341 /nfs/dbraw/zinc/16/93/41/275169341.db2.gz OLAQXOVJBWZWLE-IAGOWNOFSA-N 0 0 338.363 3.296 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000183173884 275210646 /nfs/dbraw/zinc/21/06/46/275210646.db2.gz NVUWUJIBTPWZCB-NHYWBVRUSA-N 0 0 342.399 3.242 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C(C)(C)C)n1 ZINC000191528806 275222198 /nfs/dbraw/zinc/22/21/98/275222198.db2.gz ZCUSDQMSQLVFJU-OAHLLOKOSA-N 0 0 330.388 3.328 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000278755027 275271791 /nfs/dbraw/zinc/27/17/91/275271791.db2.gz MIGOVTGEHBLIGC-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1nnc(C(C)(C)C)s1 ZINC000281173218 275527647 /nfs/dbraw/zinc/52/76/47/275527647.db2.gz KSJAQLIHDHBYRH-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN CCC[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000060874580 276028964 /nfs/dbraw/zinc/02/89/64/276028964.db2.gz BFJUKFCAUSOOOD-GFCCVEGCSA-N 0 0 330.388 3.238 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CC(F)F ZINC000286822904 276047012 /nfs/dbraw/zinc/04/70/12/276047012.db2.gz CJQXWQFUJFSDJO-VIFPVBQESA-N 0 0 349.721 3.136 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)c1cccnc1 ZINC000342237509 276061991 /nfs/dbraw/zinc/06/19/91/276061991.db2.gz TUPBUCKSVKNTBK-LLVKDONJSA-N 0 0 349.337 3.420 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](c3cccs3)C2)s1 ZINC000287727464 276151381 /nfs/dbraw/zinc/15/13/81/276151381.db2.gz FRHSZHDCSCVEDF-JTQLQIEISA-N 0 0 348.409 3.239 10 5 EGBERN Nc1nc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000289091595 276289438 /nfs/dbraw/zinc/28/94/38/276289438.db2.gz JTTASOJZBAFRCG-UHFFFAOYSA-N 0 0 332.307 3.307 10 5 EGBERN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000266557036 276299658 /nfs/dbraw/zinc/29/96/58/276299658.db2.gz MCSBHNZFIKJHAX-AWEZNQCLSA-N 0 0 342.399 3.325 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000290973336 276567965 /nfs/dbraw/zinc/56/79/65/276567965.db2.gz IZDBMRWLSPCYJC-NEPJUHHUSA-N 0 0 347.444 3.203 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCSCC1 ZINC000291542778 276657353 /nfs/dbraw/zinc/65/73/53/276657353.db2.gz MGZAFFDOBQOHSF-UHFFFAOYSA-N 0 0 347.444 3.063 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000291769095 276688290 /nfs/dbraw/zinc/68/82/90/276688290.db2.gz SNZPUVDONYMRON-LBPRGKRZSA-N 0 0 326.780 3.196 10 5 EGBERN CCc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000292374782 276781857 /nfs/dbraw/zinc/78/18/57/276781857.db2.gz RBKDWEFZFWAXMY-SNVBAGLBSA-N 0 0 332.360 3.014 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000188126272 278027755 /nfs/dbraw/zinc/02/77/55/278027755.db2.gz ROFANUSSIISNSH-HNAYVOBHSA-N 0 0 346.427 3.485 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348230287 278157236 /nfs/dbraw/zinc/15/72/36/278157236.db2.gz NJDNSVDWRMXCCM-GIPNMCIBSA-N 0 0 345.321 3.195 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066709323 278857806 /nfs/dbraw/zinc/85/78/06/278857806.db2.gz FVJPGMIPVNENJX-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000343371082 279013138 /nfs/dbraw/zinc/01/31/38/279013138.db2.gz UKGBPPHJWQZUSD-CYBMUJFWSA-N 0 0 345.399 3.035 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnn1-c1ccccc1 ZINC000348115236 280023865 /nfs/dbraw/zinc/02/38/65/280023865.db2.gz KYEOBXLVOQBBJQ-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000356746433 280592149 /nfs/dbraw/zinc/59/21/49/280592149.db2.gz QXNJHPIRBYOYDE-OAHLLOKOSA-N 0 0 334.416 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000188983104 280658716 /nfs/dbraw/zinc/65/87/16/280658716.db2.gz QUBOLVNXVGHVGW-HNNXBMFYSA-N 0 0 330.315 3.296 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000373646562 281177606 /nfs/dbraw/zinc/17/76/06/281177606.db2.gz XHZRTGFFLHNEBX-WFASDCNBSA-N 0 0 326.780 3.023 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000171447672 288806399 /nfs/dbraw/zinc/80/63/99/288806399.db2.gz ZPMZTIMIDWNTMQ-DPORPMIOSA-N 0 0 342.395 3.268 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000352218610 289005278 /nfs/dbraw/zinc/00/52/78/289005278.db2.gz YDJNNHSZACUZRZ-PSASIEDQSA-N 0 0 341.289 3.489 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000364114253 293381409 /nfs/dbraw/zinc/38/14/09/293381409.db2.gz ZKMLXTJLEMDYTP-CQSZACIVSA-N 0 0 348.334 3.183 10 5 EGBERN NC(=O)c1ccc(CNC2(C(F)(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000069847892 295179759 /nfs/dbraw/zinc/17/97/59/295179759.db2.gz OWGMEIJHWZHGMY-UHFFFAOYSA-N 0 0 345.321 3.049 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](C2CC2)C1 ZINC000341026201 304812443 /nfs/dbraw/zinc/81/24/43/304812443.db2.gz BBTIUBGKBHAGAJ-SNVBAGLBSA-N 0 0 326.194 3.379 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075291595 307398557 /nfs/dbraw/zinc/39/85/57/307398557.db2.gz DHJHCHXVUOKUOC-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000119142622 307491410 /nfs/dbraw/zinc/49/14/10/307491410.db2.gz CBMTXCPSLMRAMG-UHFFFAOYSA-N 0 0 347.298 3.302 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1cccc(C(=O)OC)c1 ZINC000121528639 307520312 /nfs/dbraw/zinc/52/03/12/307520312.db2.gz BOWZYPLKMYRMGG-UHFFFAOYSA-N 0 0 344.367 3.182 10 5 EGBERN CC(C)[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000413989508 309055552 /nfs/dbraw/zinc/05/55/52/309055552.db2.gz QZIHSDPYDZJBGT-AWEZNQCLSA-N 0 0 346.305 3.261 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1nc(C)c2ccccc2n1 ZINC000132251236 307655565 /nfs/dbraw/zinc/65/55/65/307655565.db2.gz MTFYSZYGOROATP-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(C)s1 ZINC000137820344 307718694 /nfs/dbraw/zinc/71/86/94/307718694.db2.gz CLPRVPBXTGWMRP-UHFFFAOYSA-N 0 0 337.426 3.402 10 5 EGBERN C[C@@H]1CCc2ccccc2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151485415 307733916 /nfs/dbraw/zinc/73/39/16/307733916.db2.gz MTWYCXHRSMKQGS-CYBMUJFWSA-N 0 0 346.408 3.266 10 5 EGBERN O=C(NCCOCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000163208546 307920723 /nfs/dbraw/zinc/92/07/23/307920723.db2.gz QQSBRMTWRJQWQO-UHFFFAOYSA-N 0 0 334.759 3.195 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC000254944818 308035082 /nfs/dbraw/zinc/03/50/82/308035082.db2.gz SDSHRSACTNLTCR-IHWYPQMZSA-N 0 0 344.342 3.462 10 5 EGBERN CCc1noc(C)c1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293034919 308092475 /nfs/dbraw/zinc/09/24/75/308092475.db2.gz RUPRGRVROHLFON-UHFFFAOYSA-N 0 0 341.314 3.345 10 5 EGBERN CCc1nc(C)c(CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000293337091 308121452 /nfs/dbraw/zinc/12/14/52/308121452.db2.gz JTWXDDRAAFPISR-AWEZNQCLSA-N 0 0 346.387 3.404 10 5 EGBERN CCOC(=O)c1csc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000293479773 308134665 /nfs/dbraw/zinc/13/46/65/308134665.db2.gz YBAAWODLBHZZAS-UHFFFAOYSA-N 0 0 349.412 3.253 10 5 EGBERN COC1(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000293834301 308166102 /nfs/dbraw/zinc/16/61/02/308166102.db2.gz GQLJOYDVGAQIEG-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000414509897 309085547 /nfs/dbraw/zinc/08/55/47/309085547.db2.gz GQDAOQPOHBRALR-LBPRGKRZSA-N 0 0 329.404 3.498 10 5 EGBERN CC[C@H](C)c1nnc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000295144065 308296558 /nfs/dbraw/zinc/29/65/58/308296558.db2.gz ZYRZGNULCINYJA-DTWKUNHWSA-N 0 0 329.364 3.276 10 5 EGBERN CC(F)(F)CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000295606847 308342957 /nfs/dbraw/zinc/34/29/57/308342957.db2.gz PRGGTQAERISUNE-UHFFFAOYSA-N 0 0 325.315 3.101 10 5 EGBERN CCOC(=O)C1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000295615066 308343820 /nfs/dbraw/zinc/34/38/20/308343820.db2.gz VSUFNSOYPQCAPK-UHFFFAOYSA-N 0 0 332.360 3.005 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296607626 308446586 /nfs/dbraw/zinc/44/65/86/308446586.db2.gz AMUMHNLRGPVMFU-UHFFFAOYSA-N 0 0 338.751 3.429 10 5 EGBERN Cc1cccnc1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000296911188 308479975 /nfs/dbraw/zinc/47/99/75/308479975.db2.gz HQRYCWTYORPROW-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000297021085 308490683 /nfs/dbraw/zinc/49/06/83/308490683.db2.gz SXIDLBSDUNKNPQ-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000414744718 309098499 /nfs/dbraw/zinc/09/84/99/309098499.db2.gz OTZALRPSFANNDU-YJBOKZPZSA-N 0 0 326.327 3.369 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000297356582 308525984 /nfs/dbraw/zinc/52/59/84/308525984.db2.gz BSGPORKUXJUWHQ-NHYWBVRUSA-N 0 0 342.355 3.157 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000298048291 308581548 /nfs/dbraw/zinc/58/15/48/308581548.db2.gz UPVLPHZCFKXONE-HOTGVXAUSA-N 0 0 347.415 3.135 10 5 EGBERN O=C1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCN1c1ccccc1 ZINC000301203940 308691660 /nfs/dbraw/zinc/69/16/60/308691660.db2.gz OWLFMQDGUISACS-KRWDZBQOSA-N 0 0 348.362 3.360 10 5 EGBERN O=[N+]([O-])c1c(NCCCc2nnc3ccccn32)ccc2ncccc21 ZINC000301456106 308700974 /nfs/dbraw/zinc/70/09/74/308700974.db2.gz WQNAFHOFPSNQKX-UHFFFAOYSA-N 0 0 348.366 3.230 10 5 EGBERN CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301895243 308720486 /nfs/dbraw/zinc/72/04/86/308720486.db2.gz BILHYDYJTJNIHS-UHFFFAOYSA-N 0 0 329.335 3.166 10 5 EGBERN Cc1ccc(C[C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000301993953 308724429 /nfs/dbraw/zinc/72/44/29/308724429.db2.gz NSHDDGISZVUJFT-CYBMUJFWSA-N 0 0 325.372 3.297 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3OCC3CC3)nn21 ZINC000301998391 308724602 /nfs/dbraw/zinc/72/46/02/308724602.db2.gz PIWYSASNINBHHS-UHFFFAOYSA-N 0 0 339.355 3.038 10 5 EGBERN Cc1cc(N2CCC[C@@H](n3cccn3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302002633 308724927 /nfs/dbraw/zinc/72/49/27/308724927.db2.gz JPSLTBGATQFFIC-CQSZACIVSA-N 0 0 337.383 3.489 10 5 EGBERN CCc1cc(N2CCOCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302007647 308724966 /nfs/dbraw/zinc/72/49/66/308724966.db2.gz WKVCDXYLXZQLDX-CYBMUJFWSA-N 0 0 342.399 3.229 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3c2cccc3O)c1 ZINC000302194063 308732839 /nfs/dbraw/zinc/73/28/39/308732839.db2.gz RZBCIDPOGHIRIM-ZDUSSCGKSA-N 0 0 328.324 3.186 10 5 EGBERN CCOc1cc(N2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302602095 308740433 /nfs/dbraw/zinc/74/04/33/308740433.db2.gz YTLZTPARRYUPCV-LBPRGKRZSA-N 0 0 345.403 3.290 10 5 EGBERN O=C1[C@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302727175 308743245 /nfs/dbraw/zinc/74/32/45/308743245.db2.gz OKLSAGUNELVGPV-GFCCVEGCSA-N 0 0 335.360 3.008 10 5 EGBERN Cc1cc(C)c(N2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000302780195 308745166 /nfs/dbraw/zinc/74/51/66/308745166.db2.gz REFMPIBOCSOHGT-CQSZACIVSA-N 0 0 340.383 3.132 10 5 EGBERN COc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000410420868 308916955 /nfs/dbraw/zinc/91/69/55/308916955.db2.gz KENCZAZBFFFTML-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CCNc1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000410994607 308923478 /nfs/dbraw/zinc/92/34/78/308923478.db2.gz DNVGPNWDEBOTIP-OAHLLOKOSA-N 0 0 347.415 3.058 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412313458 308980491 /nfs/dbraw/zinc/98/04/91/308980491.db2.gz UVTDWPKNQVMZBQ-UONOGXRCSA-N 0 0 328.372 3.194 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000412538740 308990186 /nfs/dbraw/zinc/99/01/86/308990186.db2.gz XRDAAILGVFBKER-UHFFFAOYSA-N 0 0 330.365 3.323 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000412952146 309009615 /nfs/dbraw/zinc/00/96/15/309009615.db2.gz XFAXZDHVWBPIFE-OAHLLOKOSA-N 0 0 343.358 3.051 10 5 EGBERN CCOC(=O)CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413205370 309021328 /nfs/dbraw/zinc/02/13/28/309021328.db2.gz BBSYMUSJFFUXDX-MRVPVSSYSA-N 0 0 335.282 3.152 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413222154 309022314 /nfs/dbraw/zinc/02/23/14/309022314.db2.gz KCXZCUPUPQWCPX-JKSUJKDBSA-N 0 0 329.400 3.376 10 5 EGBERN O=C(c1nc2c(s1)CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000415331868 309131265 /nfs/dbraw/zinc/13/12/65/309131265.db2.gz TYSCBEXHIJCBBF-UHFFFAOYSA-N 0 0 343.408 3.345 10 5 EGBERN O=C(c1nc2c(s1)CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000415355881 309131772 /nfs/dbraw/zinc/13/17/72/309131772.db2.gz DUFRPDXDXYMOLO-UHFFFAOYSA-N 0 0 343.408 3.345 10 5 EGBERN CCn1ccc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000417107621 309193343 /nfs/dbraw/zinc/19/33/43/309193343.db2.gz HSGZLVVSCIGQME-UHFFFAOYSA-N 0 0 345.403 3.430 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000417117990 309193805 /nfs/dbraw/zinc/19/38/05/309193805.db2.gz SZRLTHNLPCXYOD-LBPRGKRZSA-N 0 0 339.367 3.095 10 5 EGBERN CC(C)=CCSC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000417620058 309214242 /nfs/dbraw/zinc/21/42/42/309214242.db2.gz CHGRGYFCIXGAHG-OAHLLOKOSA-N 0 0 338.429 3.145 10 5 EGBERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000417651715 309216158 /nfs/dbraw/zinc/21/61/58/309216158.db2.gz XZYHLMPUDXGVMQ-TZMCWYRMSA-N 0 0 344.367 3.445 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387687 309266380 /nfs/dbraw/zinc/26/63/80/309266380.db2.gz CRGGHXXJTFAGRJ-CQSZACIVSA-N 0 0 345.374 3.481 10 5 EGBERN Cc1cc(Cc2noc(-c3nc4c(s3)CCC4)n2)ccc1[N+](=O)[O-] ZINC000420487038 309288015 /nfs/dbraw/zinc/28/80/15/309288015.db2.gz IWLXFMPZLRVWOF-UHFFFAOYSA-N 0 0 342.380 3.489 10 5 EGBERN CC(C)c1cccc(Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000420490403 309288036 /nfs/dbraw/zinc/28/80/36/309288036.db2.gz AVUGDFYFNSJZCA-UHFFFAOYSA-N 0 0 327.344 3.093 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000420797503 309295308 /nfs/dbraw/zinc/29/53/08/309295308.db2.gz HBKRPVPQATZCPI-NWANDNLSSA-N 0 0 335.404 3.221 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC12CCSCC2 ZINC000420867826 309298584 /nfs/dbraw/zinc/29/85/84/309298584.db2.gz ZAYOVNCKSDUHGX-AWEZNQCLSA-N 0 0 349.456 3.270 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000421113558 309314013 /nfs/dbraw/zinc/31/40/13/309314013.db2.gz NUOMGBFWNXNLPZ-CQSZACIVSA-N 0 0 333.388 3.069 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC1CCC1 ZINC000421573449 309330287 /nfs/dbraw/zinc/33/02/87/309330287.db2.gz IOUQBRPRKLIWLC-OAHLLOKOSA-N 0 0 332.400 3.243 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421590877 309331050 /nfs/dbraw/zinc/33/10/50/309331050.db2.gz OIRDOKUVWOFYNN-AWEZNQCLSA-N 0 0 334.441 3.420 10 5 EGBERN O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000424609983 309447838 /nfs/dbraw/zinc/44/78/38/309447838.db2.gz CVRZUSDAQYCHCK-OLZOCXBDSA-N 0 0 330.340 3.198 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(CC(F)F)C1 ZINC000425075707 309465227 /nfs/dbraw/zinc/46/52/27/309465227.db2.gz IGXUESSFBLZFIP-MRVPVSSYSA-N 0 0 348.733 3.129 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000425147046 309467637 /nfs/dbraw/zinc/46/76/37/309467637.db2.gz WQUYOFBOJFEUII-HNKHHVNMSA-N 0 0 343.427 3.359 10 5 EGBERN COC(=O)c1cnc([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])s1 ZINC000425269046 309470784 /nfs/dbraw/zinc/47/07/84/309470784.db2.gz AXESQZIDAYPYAK-SECBINFHSA-N 0 0 336.373 3.023 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430224632 309602211 /nfs/dbraw/zinc/60/22/11/309602211.db2.gz ZCQKQDCODVNLME-QGZVFWFLSA-N 0 0 343.427 3.260 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000430234583 309602699 /nfs/dbraw/zinc/60/26/99/309602699.db2.gz AWFDMZODTWBETP-INIZCTEOSA-N 0 0 329.400 3.258 10 5 EGBERN Cc1noc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000431708599 309640573 /nfs/dbraw/zinc/64/05/73/309640573.db2.gz LHRNUYLKOVZUIL-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN COC(=O)c1cc(NCc2ccc3c(c2)COC3)cc(C)c1[N+](=O)[O-] ZINC000432048409 309649851 /nfs/dbraw/zinc/64/98/51/309649851.db2.gz RZVGEWFOMZJXLQ-UHFFFAOYSA-N 0 0 342.351 3.332 10 5 EGBERN COc1ccc(CNC(=O)N2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000432864574 309671297 /nfs/dbraw/zinc/67/12/97/309671297.db2.gz FZTTVBAHMAFPBI-LBPRGKRZSA-N 0 0 333.388 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNCc1ncc(C(F)(F)F)s1 ZINC000433313687 309685711 /nfs/dbraw/zinc/68/57/11/309685711.db2.gz WMXZKFLTROGZKD-UHFFFAOYSA-N 0 0 347.318 3.369 10 5 EGBERN CN(Cc1cc(Cl)ccc1F)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433825111 309697590 /nfs/dbraw/zinc/69/75/90/309697590.db2.gz XJYNMFOPWQKCFZ-UHFFFAOYSA-N 0 0 337.738 3.123 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000434011948 309702750 /nfs/dbraw/zinc/70/27/50/309702750.db2.gz LZHIKGJBEVRSCI-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(C)c(C)ccc1Cl ZINC000434016895 309702859 /nfs/dbraw/zinc/70/28/59/309702859.db2.gz KHQOKOUTFOSLJW-UHFFFAOYSA-N 0 0 336.779 3.399 10 5 EGBERN CN(C[C@@H]1OCCc2ccccc21)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434947022 309722672 /nfs/dbraw/zinc/72/26/72/309722672.db2.gz MEZWNXXAMNJZMP-HNNXBMFYSA-N 0 0 333.775 3.393 10 5 EGBERN CCOC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000455100597 310344682 /nfs/dbraw/zinc/34/46/82/310344682.db2.gz NMCKHUZOGHFVGC-UHFFFAOYSA-N 0 0 347.293 3.256 10 5 EGBERN CCc1ccnc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000437719396 309797991 /nfs/dbraw/zinc/79/79/91/309797991.db2.gz FDAOPZHFTWRTBJ-UHFFFAOYSA-N 0 0 333.775 3.444 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)[C@@H](C)O1 ZINC000438389073 309813348 /nfs/dbraw/zinc/81/33/48/309813348.db2.gz DKDSTVAWAYLNNV-GMTAPVOTSA-N 0 0 334.397 3.447 10 5 EGBERN CC(C)(C(=O)NC[C@]1(O)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000438497872 309815346 /nfs/dbraw/zinc/81/53/46/309815346.db2.gz LSXIISYHZAHRFG-IBGZPJMESA-N 0 0 348.443 3.320 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439257099 309829408 /nfs/dbraw/zinc/82/94/08/309829408.db2.gz CTRIFPSHVXKJJR-HOTGVXAUSA-N 0 0 332.400 3.046 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000440995845 309859873 /nfs/dbraw/zinc/85/98/73/309859873.db2.gz XEVBWKNGILSKQY-ZDUSSCGKSA-N 0 0 340.379 3.087 10 5 EGBERN Cc1csc(NC(=O)CSCc2csc([N+](=O)[O-])c2)n1 ZINC000443473626 309901743 /nfs/dbraw/zinc/90/17/43/309901743.db2.gz HCOKFAXHXASVTQ-UHFFFAOYSA-N 0 0 329.428 3.293 10 5 EGBERN CCCCN(CCCC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443700561 309907077 /nfs/dbraw/zinc/90/70/77/309907077.db2.gz FBCUXQZWIAMFDC-UHFFFAOYSA-N 0 0 328.434 3.327 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774658 309907825 /nfs/dbraw/zinc/90/78/25/309907825.db2.gz JUJSDADHGFDGEP-HZPDHXFCSA-N 0 0 340.445 3.229 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000444882721 309932638 /nfs/dbraw/zinc/93/26/38/309932638.db2.gz ZPBYZTFMJLYKNZ-AWEZNQCLSA-N 0 0 341.411 3.330 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccn2ccnc2c1 ZINC000446180349 309957815 /nfs/dbraw/zinc/95/78/15/309957815.db2.gz VOCDHWAGJUMDAC-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000446852155 309969439 /nfs/dbraw/zinc/96/94/39/309969439.db2.gz MQQHYOSCRLFHRJ-MRXNPFEDSA-N 0 0 328.397 3.472 10 5 EGBERN CCc1cnc(N2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000447047451 309972833 /nfs/dbraw/zinc/97/28/33/309972833.db2.gz KYRDZTWWRHWBNI-UHFFFAOYSA-N 0 0 332.429 3.249 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCOC4(C3)CCCCCC4)nc2c1 ZINC000447675928 309985614 /nfs/dbraw/zinc/98/56/14/309985614.db2.gz APKXRLPZIWASJG-UHFFFAOYSA-N 0 0 330.388 3.401 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3ncccc3F)CC2)n1 ZINC000447690712 309985789 /nfs/dbraw/zinc/98/57/89/309985789.db2.gz ZRSPDTBKXKSJDW-UHFFFAOYSA-N 0 0 346.362 3.189 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(C3(C)CCCC3)on2)cc1[N+](=O)[O-] ZINC000448415214 310003760 /nfs/dbraw/zinc/00/37/60/310003760.db2.gz QKBWNYRMCOPNRU-UHFFFAOYSA-N 0 0 329.356 3.397 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3F)on2)c1 ZINC000448492846 310004767 /nfs/dbraw/zinc/00/47/67/310004767.db2.gz PWMZTAPSCYZYEQ-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN COc1ccc(-c2ccc(C[NH2+][C@H]3COCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000449627369 310075853 /nfs/dbraw/zinc/07/58/53/310075853.db2.gz ZVFREMDCZNOBEA-KRWDZBQOSA-N 0 0 346.383 3.378 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000449742943 310083617 /nfs/dbraw/zinc/08/36/17/310083617.db2.gz SMVVKMOZCFYUDA-XIRDDKMYSA-N 0 0 326.400 3.053 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450371269 310118492 /nfs/dbraw/zinc/11/84/92/310118492.db2.gz FYRUFTBKXMCLMN-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000450393374 310119884 /nfs/dbraw/zinc/11/98/84/310119884.db2.gz QVXCYDSFWKKZOW-LSDHHAIUSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(O)CN(Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450419995 310121342 /nfs/dbraw/zinc/12/13/42/310121342.db2.gz BLEHGPFFOZCSQJ-UHFFFAOYSA-N 0 0 340.383 3.249 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1O ZINC000450420397 310121500 /nfs/dbraw/zinc/12/15/00/310121500.db2.gz CEOCVPFKHNZUEZ-GDBMZVCRSA-N 0 0 329.400 3.376 10 5 EGBERN CCOC1(C)CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000450580236 310131249 /nfs/dbraw/zinc/13/12/49/310131249.db2.gz NHYVORGFBVKJDK-UHFFFAOYSA-N 0 0 343.383 3.184 10 5 EGBERN COc1cc(N2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000450911542 310149295 /nfs/dbraw/zinc/14/92/95/310149295.db2.gz ZINJCUCRLUTKHE-HNNXBMFYSA-N 0 0 326.393 3.466 10 5 EGBERN CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000450931360 310150357 /nfs/dbraw/zinc/15/03/57/310150357.db2.gz GOMBUVYVVCHITK-UHFFFAOYSA-N 0 0 335.301 3.197 10 5 EGBERN COC[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000450947503 310151583 /nfs/dbraw/zinc/15/15/83/310151583.db2.gz NRIOUADOEFNUEL-SNVBAGLBSA-N 0 0 344.209 3.005 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451276454 310169349 /nfs/dbraw/zinc/16/93/49/310169349.db2.gz ZGLUEULCTNIIIF-CRAIPNDOSA-N 0 0 348.349 3.034 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451403803 310176180 /nfs/dbraw/zinc/17/61/80/310176180.db2.gz MVFQCQGIVGWYEQ-GFCCVEGCSA-N 0 0 340.383 3.390 10 5 EGBERN O=C(CCC(=O)N1CCCC[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451473415 310180084 /nfs/dbraw/zinc/18/00/84/310180084.db2.gz NYUVCFCVUYFVGE-ZDUSSCGKSA-N 0 0 340.326 3.204 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2C(F)F)c([N+](=O)[O-])cc1F ZINC000451683593 310192481 /nfs/dbraw/zinc/19/24/81/310192481.db2.gz VIMBJUJQKARJFR-JTQLQIEISA-N 0 0 332.278 3.002 10 5 EGBERN CCC[C@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000451756019 310195978 /nfs/dbraw/zinc/19/59/78/310195978.db2.gz FTPOXPWZTBYVJV-NSHDSACASA-N 0 0 331.166 3.111 10 5 EGBERN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452047207 310209300 /nfs/dbraw/zinc/20/93/00/310209300.db2.gz ZQMCGQXVPDPLOQ-UHFFFAOYSA-N 0 0 349.328 3.192 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000452503928 310230461 /nfs/dbraw/zinc/23/04/61/310230461.db2.gz UNITZJFWLWCKRW-LBPRGKRZSA-N 0 0 339.189 3.290 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]1C1CC1 ZINC000452504291 310230608 /nfs/dbraw/zinc/23/06/08/310230608.db2.gz UXFYAZOCHFXBIG-CQSZACIVSA-N 0 0 329.381 3.343 10 5 EGBERN C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587572 310233468 /nfs/dbraw/zinc/23/34/68/310233468.db2.gz AFOFRNXFCLTWIG-LROULRCXSA-N 0 0 349.390 3.427 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000452600996 310234193 /nfs/dbraw/zinc/23/41/93/310234193.db2.gz WAQLCHMWWSMIIM-UAGQMJEPSA-N 0 0 332.400 3.059 10 5 EGBERN CCOC1CC(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000453238634 310266173 /nfs/dbraw/zinc/26/61/73/310266173.db2.gz OQZQXHSYDIJCKT-UHFFFAOYSA-N 0 0 344.371 3.285 10 5 EGBERN COC[C@@H](C)[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242106 310266351 /nfs/dbraw/zinc/26/63/51/310266351.db2.gz VIVVWLXUJNXHPH-GHMZBOCLSA-N 0 0 346.387 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000454150678 310294809 /nfs/dbraw/zinc/29/48/09/310294809.db2.gz QRTZOQWEVUCWLV-UAGQMJEPSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000454155656 310294956 /nfs/dbraw/zinc/29/49/56/310294956.db2.gz WMZUESXIHXJCDQ-BBRMVZONSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454888977 310334337 /nfs/dbraw/zinc/33/43/37/310334337.db2.gz PXPOKWINBHZODR-BHYGNILZSA-N 0 0 329.400 3.282 10 5 EGBERN CC[C@@H](NC(=O)NCCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000455560427 310366742 /nfs/dbraw/zinc/36/67/42/310366742.db2.gz MJXKGGQJXXVSJH-CZUORRHYSA-N 0 0 335.404 3.162 10 5 EGBERN COc1c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000456142085 310390389 /nfs/dbraw/zinc/39/03/89/310390389.db2.gz ZSCFAWWWEYXVPS-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456682894 310417705 /nfs/dbraw/zinc/41/77/05/310417705.db2.gz ALZZRGXEHYSVRQ-SFHVURJKSA-N 0 0 332.400 3.163 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000456802554 310423080 /nfs/dbraw/zinc/42/30/80/310423080.db2.gz RLHLPRFPCQQRKY-QWHCGFSZSA-N 0 0 336.388 3.019 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](COC)CC1 ZINC000457096070 310437513 /nfs/dbraw/zinc/43/75/13/310437513.db2.gz VUXWFFWVBPNGSN-IAGOWNOFSA-N 0 0 348.443 3.439 10 5 EGBERN CC(C)(C)C1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457342534 310448693 /nfs/dbraw/zinc/44/86/93/310448693.db2.gz LYLMTWFVVWBNON-UHFFFAOYSA-N 0 0 343.383 3.026 10 5 EGBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458712798 310517085 /nfs/dbraw/zinc/51/70/85/310517085.db2.gz CZGNRNVXNYGEHG-LLLHUVSDSA-N 0 0 329.400 3.282 10 5 EGBERN CN(c1ccccc1)c1ccc(CN2CC(C)(CO)C2)cc1[N+](=O)[O-] ZINC000459618815 310564612 /nfs/dbraw/zinc/56/46/12/310564612.db2.gz GBUDZOAKKFXDIG-UHFFFAOYSA-N 0 0 341.411 3.177 10 5 EGBERN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000460868412 310586538 /nfs/dbraw/zinc/58/65/38/310586538.db2.gz CEBACBKCFKLJFQ-AAEUAGOBSA-N 0 0 349.184 3.323 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCC(OC)CC1 ZINC000462605449 310602474 /nfs/dbraw/zinc/60/24/74/310602474.db2.gz IDQSTUPCYJUPJN-PQUAAJSLSA-N 0 0 348.443 3.485 10 5 EGBERN COc1ccc(C[C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000462889041 310607300 /nfs/dbraw/zinc/60/73/00/310607300.db2.gz QUYJDGXBPFPQIR-OAHLLOKOSA-N 0 0 327.384 3.458 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000468236128 310684312 /nfs/dbraw/zinc/68/43/12/310684312.db2.gz XHPVWCRLFOOIMQ-KRWDZBQOSA-N 0 0 345.443 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCCO2)nc1OCc1ccccc1 ZINC000472427236 310765664 /nfs/dbraw/zinc/76/56/64/310765664.db2.gz BHDYMHREFAQPRI-UHFFFAOYSA-N 0 0 329.356 3.491 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000474183506 310787382 /nfs/dbraw/zinc/78/73/82/310787382.db2.gz NECGPOFIQRJSQX-SECBINFHSA-N 0 0 346.836 3.366 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 ZINC000477059859 310838813 /nfs/dbraw/zinc/83/88/13/310838813.db2.gz MXZRPSQXUNESEE-NSHDSACASA-N 0 0 336.754 3.473 10 5 EGBERN COc1cc(C(=O)NC/C=C\c2ccccc2)cc([N+](=O)[O-])c1C ZINC000479078083 310868542 /nfs/dbraw/zinc/86/85/42/310868542.db2.gz IPOCIFCOZJRWDG-TWGQIWQCSA-N 0 0 326.352 3.355 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485685761 310980737 /nfs/dbraw/zinc/98/07/37/310980737.db2.gz YXVLYIMEUBHCMX-JSGCOSHPSA-N 0 0 348.305 3.482 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1(C)CCCC1 ZINC000486923555 311002021 /nfs/dbraw/zinc/00/20/21/311002021.db2.gz AREWFYZGIGPPPU-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN CCOc1cc(N2CCC(C(=O)N(CC)CC)CC2)ccc1[N+](=O)[O-] ZINC000486959982 311004217 /nfs/dbraw/zinc/00/42/17/311004217.db2.gz XHTRFOHGCDDZOH-UHFFFAOYSA-N 0 0 349.431 3.078 10 5 EGBERN CC[C@H](NC(=O)N1CC(C)(C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000487429357 311023273 /nfs/dbraw/zinc/02/32/73/311023273.db2.gz JFTQMQAMHVGICW-WFASDCNBSA-N 0 0 335.404 3.255 10 5 EGBERN Cn1nc(CCNc2c3ccccc3ncc2[N+](=O)[O-])c2ccccc21 ZINC000487757715 311036644 /nfs/dbraw/zinc/03/66/44/311036644.db2.gz HQLPSLFZPBGIKE-UHFFFAOYSA-N 0 0 347.378 3.106 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2cc(F)ccc2[nH]1 ZINC000488935537 311085835 /nfs/dbraw/zinc/08/58/35/311085835.db2.gz OKZOKCCZUPZCIV-UHFFFAOYSA-N 0 0 328.303 3.182 10 5 EGBERN CCc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000488950946 311086399 /nfs/dbraw/zinc/08/63/99/311086399.db2.gz JYEFJGFULBIWRJ-UHFFFAOYSA-N 0 0 328.303 3.425 10 5 EGBERN CCOc1cc(CN(CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492482670 311256271 /nfs/dbraw/zinc/25/62/71/311256271.db2.gz HWUCBSHEOBGJGA-UHFFFAOYSA-N 0 0 330.384 3.383 10 5 EGBERN O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505128286 312015969 /nfs/dbraw/zinc/01/59/69/312015969.db2.gz CGXKAWIEOHSSLZ-QWRGUYRKSA-N 0 0 328.290 3.463 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509474801 312118155 /nfs/dbraw/zinc/11/81/55/312118155.db2.gz BYCFBISPECTAJT-ZDUSSCGKSA-N 0 0 342.330 3.140 10 5 EGBERN O=C(C/C=C\c1cccc(F)c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531391120 313663583 /nfs/dbraw/zinc/66/35/83/313663583.db2.gz YJQXZFSZYMYNDX-RQOWECAXSA-N 0 0 344.342 3.332 10 5 EGBERN Cc1cc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000531854518 313721608 /nfs/dbraw/zinc/72/16/08/313721608.db2.gz LUZGUIUPYJEMHY-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000531887521 313726372 /nfs/dbraw/zinc/72/63/72/313726372.db2.gz BOGIJDQLRHLVHV-MRXNPFEDSA-N 0 0 329.356 3.126 10 5 EGBERN Cc1c(Br)cccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138467 313760138 /nfs/dbraw/zinc/76/01/38/313760138.db2.gz NCEOPLPEBGEFIS-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532387948 313793002 /nfs/dbraw/zinc/79/30/02/313793002.db2.gz UDBWQKBKHINSRQ-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000532393289 313793591 /nfs/dbraw/zinc/79/35/91/313793591.db2.gz ZRUOBWJAQJQZEJ-ZANVPECISA-N 0 0 335.722 3.068 10 5 EGBERN CC[C@](C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000535499109 314049583 /nfs/dbraw/zinc/04/95/83/314049583.db2.gz CVSXBWOMNAVMEW-AWEZNQCLSA-N 0 0 343.305 3.466 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C(C)C ZINC000536594168 314128048 /nfs/dbraw/zinc/12/80/48/314128048.db2.gz WTMKZXWLNWLOTL-UHFFFAOYSA-N 0 0 331.376 3.218 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000538239905 314234395 /nfs/dbraw/zinc/23/43/95/314234395.db2.gz IARMDMMPNIEAAD-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000538247786 314234699 /nfs/dbraw/zinc/23/46/99/314234699.db2.gz OABPWMCSFKBWEK-NSHDSACASA-N 0 0 331.347 3.291 10 5 EGBERN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538804077 314276784 /nfs/dbraw/zinc/27/67/84/314276784.db2.gz PMENLCUYQMIEDH-QWRGUYRKSA-N 0 0 329.331 3.277 10 5 EGBERN CCOc1cc(Nc2cccc([C@@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000538933330 314286028 /nfs/dbraw/zinc/28/60/28/314286028.db2.gz VHXHMDZTSJSVBY-ZDUSSCGKSA-N 0 0 341.367 3.341 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541035186 314430437 /nfs/dbraw/zinc/43/04/37/314430437.db2.gz PJFQNWCUJVHVJP-RDTXWAMCSA-N 0 0 331.416 3.359 10 5 EGBERN C[C@@H](C(=O)N(C)C1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000542540320 314557079 /nfs/dbraw/zinc/55/70/79/314557079.db2.gz BJXUOZVTUWSYPB-GFCCVEGCSA-N 0 0 342.370 3.463 10 5 EGBERN COc1ccc(CC(=O)N2Cc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000543086129 314603392 /nfs/dbraw/zinc/60/33/92/314603392.db2.gz ATWPEGOGLSRFGU-GFCCVEGCSA-N 0 0 326.352 3.249 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000543639187 314642535 /nfs/dbraw/zinc/64/25/35/314642535.db2.gz GMMKUNPAUWLRPX-LLVKDONJSA-N 0 0 347.346 3.495 10 5 EGBERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545197432 314740711 /nfs/dbraw/zinc/74/07/11/314740711.db2.gz XSMMQFNNQDNNAV-PXAZEXFGSA-N 0 0 325.368 3.433 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c2ncccc12 ZINC000545921043 314792329 /nfs/dbraw/zinc/79/23/29/314792329.db2.gz NWCQLKFYMGPENI-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN CCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000546375073 314823751 /nfs/dbraw/zinc/82/37/51/314823751.db2.gz VIIRFVCYVPGLSE-UHFFFAOYSA-N 0 0 326.312 3.496 10 5 EGBERN Cc1cccc(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549153268 315078334 /nfs/dbraw/zinc/07/83/34/315078334.db2.gz HEJHYZKYDBDBSP-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000549286373 315085547 /nfs/dbraw/zinc/08/55/47/315085547.db2.gz WGLKGMSRYXCLOO-RRFJBIMHSA-N 0 0 336.779 3.275 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](OC(F)F)C3)co2)cc1 ZINC000549410020 315090485 /nfs/dbraw/zinc/09/04/85/315090485.db2.gz ZSCXSQYXUUESGF-ZDUSSCGKSA-N 0 0 339.298 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)c2ccccc2)s1 ZINC000549607739 315099103 /nfs/dbraw/zinc/09/91/03/315099103.db2.gz NDDLVVSOCHCZPU-UHFFFAOYSA-N 0 0 348.352 3.117 10 5 EGBERN Cc1ccc(NC(=O)c2cc(Cc3ccccc3)[nH]n2)cc1[N+](=O)[O-] ZINC000550264839 315122198 /nfs/dbraw/zinc/12/21/98/315122198.db2.gz QGDTUNGVXCKWPN-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC000550340826 315125275 /nfs/dbraw/zinc/12/52/75/315125275.db2.gz ASRTYUMAMXYSRP-UHFFFAOYSA-N 0 0 328.324 3.366 10 5 EGBERN COc1ncc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl ZINC000551036950 315140911 /nfs/dbraw/zinc/14/09/11/315140911.db2.gz FEUYYPQGCPESNH-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552229475 315207549 /nfs/dbraw/zinc/20/75/49/315207549.db2.gz GMDMBSOMRLCYTI-SHTZXODSSA-N 0 0 340.383 3.143 10 5 EGBERN COc1cc(N2CCCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000553384812 315261377 /nfs/dbraw/zinc/26/13/77/315261377.db2.gz OQBOTUHEKZSNCD-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN COc1ccc(F)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554868658 315353445 /nfs/dbraw/zinc/35/34/45/315353445.db2.gz HRFDDVGVDGEULL-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN CC(C)(C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC000557296181 315505561 /nfs/dbraw/zinc/50/55/61/315505561.db2.gz RPXLWWDTOZEKJD-XJKSGUPXSA-N 0 0 338.354 3.376 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC2(CC2)c2ccccc21 ZINC000557504488 315514666 /nfs/dbraw/zinc/51/46/66/315514666.db2.gz BANQXMQTTUDKGY-UHFFFAOYSA-N 0 0 344.317 3.494 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC12CCC2 ZINC000564634875 316178538 /nfs/dbraw/zinc/17/85/38/316178538.db2.gz FTJTUOXMSMQKCD-UHFFFAOYSA-N 0 0 342.399 3.347 10 5 EGBERN CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000565408944 316320791 /nfs/dbraw/zinc/32/07/91/316320791.db2.gz JIJRGJHDVLJYSY-UHFFFAOYSA-N 0 0 335.404 3.194 10 5 EGBERN CC(C)[C@@H]1CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565572985 316340659 /nfs/dbraw/zinc/34/06/59/316340659.db2.gz NKVSGNLVZMRPLX-INIZCTEOSA-N 0 0 330.388 3.059 10 5 EGBERN CCc1ccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000566556521 316495519 /nfs/dbraw/zinc/49/55/19/316495519.db2.gz ODDCRJVRMGWXKL-OAHLLOKOSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@]1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC=CCC1 ZINC000570053179 317001353 /nfs/dbraw/zinc/00/13/53/317001353.db2.gz RXOPJWQCHYVZNK-SFHVURJKSA-N 0 0 342.399 3.417 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000570696872 317096172 /nfs/dbraw/zinc/09/61/72/317096172.db2.gz WSBXVNCEBSPYNK-ZDUSSCGKSA-N 0 0 330.388 3.350 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2sc(Cl)cc2C1 ZINC000571286592 317177923 /nfs/dbraw/zinc/17/79/23/317177923.db2.gz MRCDSWSGQLWLAO-UHFFFAOYSA-N 0 0 337.788 3.212 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000571377229 317189571 /nfs/dbraw/zinc/18/95/71/317189571.db2.gz MGSSIRVPDRZUFK-CQSZACIVSA-N 0 0 335.310 3.189 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CSc2ccccc2O1 ZINC000571877616 317260957 /nfs/dbraw/zinc/26/09/57/317260957.db2.gz KAWFRRRBMYEILL-LLVKDONJSA-N 0 0 334.401 3.085 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccn(C(C)C)n1 ZINC000571968016 317271718 /nfs/dbraw/zinc/27/17/18/317271718.db2.gz CDWBLDJJFNTIBV-UHFFFAOYSA-N 0 0 336.779 3.264 10 5 EGBERN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2cccc(CCCO)c2)n1 ZINC000572451625 317339510 /nfs/dbraw/zinc/33/95/10/317339510.db2.gz ILYCIHWTVXXQLT-DLBZAZTESA-N 0 0 344.415 3.312 10 5 EGBERN CC(F)(F)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572479019 317344680 /nfs/dbraw/zinc/34/46/80/317344680.db2.gz WLMQYPYLFUQBJR-UHFFFAOYSA-N 0 0 338.108 3.134 10 5 EGBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573201499 317451035 /nfs/dbraw/zinc/45/10/35/317451035.db2.gz ZZWDJXWYNDSYNX-JONQDZQNSA-N 0 0 329.400 3.282 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3C[C@H]4CN(c5ccccc5)C[C@H]4C3)nc2c1 ZINC000573317125 317467075 /nfs/dbraw/zinc/46/70/75/317467075.db2.gz FANSPZOJPAUJRF-OKILXGFUSA-N 0 0 349.394 3.044 10 5 EGBERN O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574311124 317585035 /nfs/dbraw/zinc/58/50/35/317585035.db2.gz PDNFWJSFZHTAQZ-ZDUSSCGKSA-N 0 0 343.305 3.003 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1(C)C ZINC000574962456 317656803 /nfs/dbraw/zinc/65/68/03/317656803.db2.gz RUMWLFXGPRHHLZ-QWRGUYRKSA-N 0 0 346.305 3.157 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000171316919 323229704 /nfs/dbraw/zinc/22/97/04/323229704.db2.gz PLZSKTBABOXAND-OAHLLOKOSA-N 0 0 344.367 3.111 10 5 EGBERN CN(C)c1nc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ns1 ZINC000182107581 323525793 /nfs/dbraw/zinc/52/57/93/323525793.db2.gz QIXWKVLSTXPURM-UHFFFAOYSA-N 0 0 348.306 3.110 10 5 EGBERN CC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000182274199 323538797 /nfs/dbraw/zinc/53/87/97/323538797.db2.gz HKBRVSQZXUITPB-UHFFFAOYSA-N 0 0 348.742 3.468 10 5 EGBERN Cc1cc(NC(=O)CCc2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000182423590 323550619 /nfs/dbraw/zinc/55/06/19/323550619.db2.gz JBDPXBMFPMSIRW-UHFFFAOYSA-N 0 0 332.360 3.155 10 5 EGBERN CCOC(=O)Cc1csc(Sc2ccc([N+](=O)[O-])c(C)n2)n1 ZINC000349432667 324027369 /nfs/dbraw/zinc/02/73/69/324027369.db2.gz ZIDWEPZECNNKBZ-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000350851864 324128471 /nfs/dbraw/zinc/12/84/71/324128471.db2.gz XPAMXCIZULTDEZ-UHFFFAOYSA-N 0 0 349.253 3.012 10 5 EGBERN COc1cc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000350946717 324144975 /nfs/dbraw/zinc/14/49/75/324144975.db2.gz LKBFRFWIWLLCMA-UHFFFAOYSA-N 0 0 343.343 3.272 10 5 EGBERN C[C@@H](F)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000378860731 324239171 /nfs/dbraw/zinc/23/91/71/324239171.db2.gz PMERYMMMHAGUBB-SSDOTTSWSA-N 0 0 338.120 3.359 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCSC3)C2)cc1C(F)(F)F ZINC000575984286 324522500 /nfs/dbraw/zinc/52/25/00/324522500.db2.gz RHOAEPAVQIQDCV-CYBMUJFWSA-N 0 0 348.346 3.326 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccsc1 ZINC000577732203 324856247 /nfs/dbraw/zinc/85/62/47/324856247.db2.gz WPCTZJZEYVQCFS-UHFFFAOYSA-N 0 0 344.396 3.180 10 5 EGBERN CS[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000578913109 325036752 /nfs/dbraw/zinc/03/67/52/325036752.db2.gz LQBZBSFFMOFPMK-ZDUSSCGKSA-N 0 0 346.399 3.309 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(-n3ccnc3)ccn2)n1 ZINC000578937060 325038144 /nfs/dbraw/zinc/03/81/44/325038144.db2.gz SUECSGWDBIJTFP-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCC[C@@H](C)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000579965749 325184336 /nfs/dbraw/zinc/18/43/36/325184336.db2.gz PJGBORPRZYNXCG-CJNGLKHVSA-N 0 0 349.431 3.040 10 5 EGBERN O=C(NCCc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cn1 ZINC000581843261 325392498 /nfs/dbraw/zinc/39/24/98/325392498.db2.gz DIZQYPNPLSSNDK-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN CO[C@H](C)c1cccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000582356038 325435286 /nfs/dbraw/zinc/43/52/86/325435286.db2.gz RRDPXDPCGGRFQK-CZUORRHYSA-N 0 0 346.383 3.154 10 5 EGBERN Cc1cccnc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341711210 456910770 /nfs/dbraw/zinc/91/07/70/456910770.db2.gz CXDGXXFZUMJOEB-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CC[C@@]1(C)COCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000331259060 457156032 /nfs/dbraw/zinc/15/60/32/457156032.db2.gz HBBZJEWMABCVNH-HNNXBMFYSA-N 0 0 326.780 3.198 10 5 EGBERN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000157712029 455223861 /nfs/dbraw/zinc/22/38/61/455223861.db2.gz KIBQVHQLRDDFQT-VIFPVBQESA-N 0 0 341.154 3.042 10 5 EGBERN O=C(COc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001510883 452668257 /nfs/dbraw/zinc/66/82/57/452668257.db2.gz ZRYHSWQORHYKFN-UHFFFAOYSA-N 0 0 347.327 3.361 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000183398062 455287390 /nfs/dbraw/zinc/28/73/90/455287390.db2.gz UQFYNGXABRCPOA-MAUKXSAKSA-N 0 0 348.349 3.489 10 5 EGBERN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@H](O)C(F)(F)F ZINC000158493103 455307526 /nfs/dbraw/zinc/30/75/26/455307526.db2.gz KGCBHJZVDUDZND-HNNXBMFYSA-N 0 0 341.285 3.488 10 5 EGBERN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003241609 452752089 /nfs/dbraw/zinc/75/20/89/452752089.db2.gz DQTHWJILSIXMOM-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183707112 455323723 /nfs/dbraw/zinc/32/37/23/455323723.db2.gz HUHWJSCDXKJDKO-VHSXEESVSA-N 0 0 337.376 3.480 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CCCC1 ZINC000600698866 460572757 /nfs/dbraw/zinc/57/27/57/460572757.db2.gz XKRMSGZMAYDFOX-UHFFFAOYSA-N 0 0 346.305 3.213 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CCCC1 ZINC000600693604 460570690 /nfs/dbraw/zinc/57/06/90/460570690.db2.gz GIMHEPKOXVBKST-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000006051386 452917313 /nfs/dbraw/zinc/91/73/13/452917313.db2.gz ULVVNVRAJISBRC-LBPRGKRZSA-N 0 0 328.324 3.203 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000600709000 460574622 /nfs/dbraw/zinc/57/46/22/460574622.db2.gz MWXFBWJSRJOSBG-SECBINFHSA-N 0 0 345.380 3.379 10 5 EGBERN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)c([N+](=O)[O-])c1 ZINC000007239018 453048214 /nfs/dbraw/zinc/04/82/14/453048214.db2.gz VUIIMZOCOBZCLB-UHFFFAOYSA-N 0 0 346.412 3.349 10 5 EGBERN O=C([C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000008291253 453188384 /nfs/dbraw/zinc/18/83/84/453188384.db2.gz ZKTJMMVWVZVJAD-KRWDZBQOSA-N 0 0 326.352 3.337 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000010977837 453306365 /nfs/dbraw/zinc/30/63/65/453306365.db2.gz IVIUJLQILNHWIR-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000600767692 460595820 /nfs/dbraw/zinc/59/58/20/460595820.db2.gz CDTWTTPFMDDBTL-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600773067 460597339 /nfs/dbraw/zinc/59/73/39/460597339.db2.gz MYDXBHXVXYAEBC-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC23CC3)cc1OC ZINC000600807537 460610913 /nfs/dbraw/zinc/61/09/13/460610913.db2.gz ZPHFAPNYDCSWFC-LBPRGKRZSA-N 0 0 348.399 3.312 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600808957 460612590 /nfs/dbraw/zinc/61/25/90/460612590.db2.gz MQAXABSNLOOEIK-FOSCPCJNSA-N 0 0 334.420 3.003 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000023754078 453717247 /nfs/dbraw/zinc/71/72/47/453717247.db2.gz HGFMFMBEGREOMC-CQSZACIVSA-N 0 0 343.383 3.194 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000025416919 453771027 /nfs/dbraw/zinc/77/10/27/453771027.db2.gz LFGNSXGJKALWJW-CQSZACIVSA-N 0 0 327.384 3.362 10 5 EGBERN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@@H]1C(F)(F)F ZINC000190692324 455368062 /nfs/dbraw/zinc/36/80/62/455368062.db2.gz AEAZPSKNBAHYGR-NSHDSACASA-N 0 0 345.321 3.228 10 5 EGBERN Cc1ccc(NC=C2N=C(c3ccccc3F)OC2=O)c([N+](=O)[O-])c1 ZINC000027499489 453817220 /nfs/dbraw/zinc/81/72/20/453817220.db2.gz DVWAHCUCAMNIQH-ZROIWOOFSA-N 0 0 341.298 3.299 10 5 EGBERN Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483420 453829358 /nfs/dbraw/zinc/82/93/58/453829358.db2.gz CQANVOMCUPHANU-QGZVFWFLSA-N 0 0 339.395 3.461 10 5 EGBERN Cc1sc(C(=O)NCCCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000030252712 453834542 /nfs/dbraw/zinc/83/45/42/453834542.db2.gz YDUHVANZAWHPQL-UHFFFAOYSA-N 0 0 345.424 3.147 10 5 EGBERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000031546660 453848818 /nfs/dbraw/zinc/84/88/18/453848818.db2.gz YNNRXAVHFXCAPU-MEDUHNTESA-N 0 0 339.351 3.442 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000066524300 453850024 /nfs/dbraw/zinc/85/00/24/453850024.db2.gz UAALHKVKHNPFRS-CQSZACIVSA-N 0 0 338.367 3.281 10 5 EGBERN O=C(Nc1ccc(CNc2ccncc2[N+](=O)[O-])cc1)c1ccco1 ZINC000066797622 453874765 /nfs/dbraw/zinc/87/47/65/453874765.db2.gz MTXSGVSTZRGNIK-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN Cn1cc(C(=O)NCCC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053428866 453878360 /nfs/dbraw/zinc/87/83/60/453878360.db2.gz VQYAYDXDNLCUCY-UHFFFAOYSA-N 0 0 342.399 3.305 10 5 EGBERN Cc1nn(C)c(N2CCC(C(=O)c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000054124172 453912306 /nfs/dbraw/zinc/91/23/06/453912306.db2.gz BHEKYEQFOSZBKQ-UHFFFAOYSA-N 0 0 342.399 3.044 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1ccccc1 ZINC000067513893 453937941 /nfs/dbraw/zinc/93/79/41/453937941.db2.gz LGKKBTNKIUSXLN-ZBFHGGJFSA-N 0 0 325.368 3.069 10 5 EGBERN O=C(OCC1CCN(CC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000076020551 453950507 /nfs/dbraw/zinc/95/05/07/453950507.db2.gz GFONRLLGMWUWPG-UHFFFAOYSA-N 0 0 346.305 3.026 10 5 EGBERN COc1ccc(CN(C)C(=O)c2cc(C(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000076040577 453953285 /nfs/dbraw/zinc/95/32/85/453953285.db2.gz YRFBUNRDXGYXPP-UHFFFAOYSA-N 0 0 347.371 3.161 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(-n3ccnc3)c2)c2ccncc21 ZINC000068320687 454016659 /nfs/dbraw/zinc/01/66/59/454016659.db2.gz NQBAPPCMDPLYHY-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN O=c1cc(CNc2ncc([N+](=O)[O-])cc2Cl)c2ccccc2[nH]1 ZINC000085688308 454036418 /nfs/dbraw/zinc/03/64/18/454036418.db2.gz LLBMKZYUIUBBSO-UHFFFAOYSA-N 0 0 330.731 3.097 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(O)c2)CC1 ZINC000265923341 455407329 /nfs/dbraw/zinc/40/73/29/455407329.db2.gz CSKZHFQRZZDPGT-AWEZNQCLSA-N 0 0 327.384 3.184 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2c1cccc2F ZINC000087175424 454068211 /nfs/dbraw/zinc/06/82/11/454068211.db2.gz TZERBYXVEHSGBQ-KRWDZBQOSA-N 0 0 328.343 3.470 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087281184 454075100 /nfs/dbraw/zinc/07/51/00/454075100.db2.gz UVNQAMSIMKDADK-CQSZACIVSA-N 0 0 342.395 3.283 10 5 EGBERN Cc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000077223287 454077609 /nfs/dbraw/zinc/07/76/09/454077609.db2.gz DAQWKGQJJMVHLJ-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000077305208 454088165 /nfs/dbraw/zinc/08/81/65/454088165.db2.gz SVFQXKQWYCMDMT-HNNXBMFYSA-N 0 0 326.352 3.384 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000077414238 454103552 /nfs/dbraw/zinc/10/35/52/454103552.db2.gz KSXHJIHIZJESFG-OAHLLOKOSA-N 0 0 327.340 3.467 10 5 EGBERN COc1ccc(F)c(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000088535589 454110788 /nfs/dbraw/zinc/11/07/88/454110788.db2.gz GTMZOJGPPDNJEB-UHFFFAOYSA-N 0 0 333.319 3.102 10 5 EGBERN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cn2)cc1C ZINC000044799542 454120060 /nfs/dbraw/zinc/12/00/60/454120060.db2.gz MDSIOAZTECQBEF-GJZGRUSLSA-N 0 0 327.340 3.094 10 5 EGBERN COc1cc(NCCCc2c(C)nn(C)c2C)c(F)cc1[N+](=O)[O-] ZINC000089265038 454131320 /nfs/dbraw/zinc/13/13/20/454131320.db2.gz TXBZUWNPIRKRFY-UHFFFAOYSA-N 0 0 336.367 3.138 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000089461234 454152269 /nfs/dbraw/zinc/15/22/69/454152269.db2.gz XJXDONRHJMMGID-LURJTMIESA-N 0 0 328.781 3.086 10 5 EGBERN Cc1cccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000089688885 454177822 /nfs/dbraw/zinc/17/78/22/454177822.db2.gz PTDQIJDTQWEQKU-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN COCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccc1F ZINC000078063680 454184576 /nfs/dbraw/zinc/18/45/76/454184576.db2.gz BTANYTBJGDTJSP-LLVKDONJSA-N 0 0 344.342 3.472 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149272 454201968 /nfs/dbraw/zinc/20/19/68/454201968.db2.gz DEIAAWCNCOYDEX-ZDUSSCGKSA-N 0 0 338.363 3.440 10 5 EGBERN CCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072064327 454270302 /nfs/dbraw/zinc/27/03/02/454270302.db2.gz PNRBSRMLKULSCU-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000120246223 454277232 /nfs/dbraw/zinc/27/72/32/454277232.db2.gz FWSCNZQCLRPKOF-AWEZNQCLSA-N 0 0 334.420 3.208 10 5 EGBERN CCC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223191 454294876 /nfs/dbraw/zinc/29/48/76/454294876.db2.gz XKXIFDOHWSTMJE-HZPDHXFCSA-N 0 0 329.404 3.461 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCCCCCC1 ZINC000096911751 454382939 /nfs/dbraw/zinc/38/29/39/454382939.db2.gz RNYRMPFOOZKVSM-SREVYHEPSA-N 0 0 346.383 3.267 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000097083823 454402368 /nfs/dbraw/zinc/40/23/68/454402368.db2.gz GEAUHBPDXMAEAC-MNOVXSKESA-N 0 0 338.410 3.028 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000121367051 454426199 /nfs/dbraw/zinc/42/61/99/454426199.db2.gz PQZPBKMQQDNJIW-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1cc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])no1 ZINC000091429089 454434588 /nfs/dbraw/zinc/43/45/88/454434588.db2.gz YDTPBFQRAVKMIF-UHFFFAOYSA-N 0 0 326.150 3.290 10 5 EGBERN COc1cc(NCCCN(C)CC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000091431879 454435608 /nfs/dbraw/zinc/43/56/08/454435608.db2.gz INRPSKWSLNDJIR-UHFFFAOYSA-N 0 0 339.289 3.039 10 5 EGBERN Cc1cc(N2CCC(N(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000091478049 454439867 /nfs/dbraw/zinc/43/98/67/454439867.db2.gz LJRVOYJUEXSGJD-UHFFFAOYSA-N 0 0 341.415 3.107 10 5 EGBERN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(=O)CC1 ZINC000073488348 454440246 /nfs/dbraw/zinc/44/02/46/454440246.db2.gz IVSFSAIAWISWOZ-UHFFFAOYSA-N 0 0 345.380 3.416 10 5 EGBERN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244381 454468923 /nfs/dbraw/zinc/46/89/23/454468923.db2.gz FIMADEAAEPKZST-AWEZNQCLSA-N 0 0 340.426 3.332 10 5 EGBERN COC(=O)Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000048367087 454480748 /nfs/dbraw/zinc/48/07/48/454480748.db2.gz VELVJFLCMMRPGC-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1C ZINC000101947956 454488951 /nfs/dbraw/zinc/48/89/51/454488951.db2.gz JZCPJFYUXYVUFL-OLZOCXBDSA-N 0 0 336.779 3.232 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134056390 454498269 /nfs/dbraw/zinc/49/82/69/454498269.db2.gz AIRDMRZNRWMSNQ-JKSUJKDBSA-N 0 0 332.400 3.405 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064834782 454511065 /nfs/dbraw/zinc/51/10/65/454511065.db2.gz OIVKFWSHDXBFHA-UHFFFAOYSA-N 0 0 328.368 3.195 10 5 EGBERN Cc1cc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000048759939 454513504 /nfs/dbraw/zinc/51/35/04/454513504.db2.gz BOQBAYKWNCULGW-UHFFFAOYSA-N 0 0 326.150 3.290 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000080001076 454514959 /nfs/dbraw/zinc/51/49/59/454514959.db2.gz GFPGBHNWILGWNK-INIZCTEOSA-N 0 0 338.791 3.281 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000049704036 454557619 /nfs/dbraw/zinc/55/76/19/454557619.db2.gz DOBIGZTUOBCCDI-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CCOc1ccccc1CCC(=O)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000065567450 454593988 /nfs/dbraw/zinc/59/39/88/454593988.db2.gz LKHVOKKBJNENJE-UHFFFAOYSA-N 0 0 346.358 3.382 10 5 EGBERN C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000104749418 454600407 /nfs/dbraw/zinc/60/04/07/454600407.db2.gz GMAJMKOIQHTPQL-JTQLQIEISA-N 0 0 338.410 3.044 10 5 EGBERN Cc1cc(NC[C@@H](O)c2ccc(OC(F)F)cc2)ncc1[N+](=O)[O-] ZINC000080605617 454605762 /nfs/dbraw/zinc/60/57/62/454605762.db2.gz FYIJWNHROIJDLH-CYBMUJFWSA-N 0 0 339.298 3.045 10 5 EGBERN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104823849 454606037 /nfs/dbraw/zinc/60/60/37/454606037.db2.gz WNFZIDJOSNKPOD-UHFFFAOYSA-N 0 0 337.379 3.415 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065716630 454614143 /nfs/dbraw/zinc/61/41/43/454614143.db2.gz SKTLQSQKWFTGQZ-UHFFFAOYSA-N 0 0 341.342 3.347 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000135407173 454673359 /nfs/dbraw/zinc/67/33/59/454673359.db2.gz GIOJRTAEMVOZFU-ZDUSSCGKSA-N 0 0 344.396 3.343 10 5 EGBERN CC(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000081047049 454677408 /nfs/dbraw/zinc/67/74/08/454677408.db2.gz MIAPUQHZHPIWBU-UHFFFAOYSA-N 0 0 343.383 3.402 10 5 EGBERN COCc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000124100647 454699203 /nfs/dbraw/zinc/69/92/03/454699203.db2.gz OILMMOJFLQLLCN-UHFFFAOYSA-N 0 0 332.356 3.087 10 5 EGBERN O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000153182832 454767783 /nfs/dbraw/zinc/76/77/83/454767783.db2.gz GECFBAZHXZVGJP-UHFFFAOYSA-N 0 0 343.358 3.121 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000124896956 454780634 /nfs/dbraw/zinc/78/06/34/454780634.db2.gz WWAQFRQSTJHIPF-UHFFFAOYSA-N 0 0 348.399 3.456 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1nc(C(C)C)no1 ZINC000162605439 454787132 /nfs/dbraw/zinc/78/71/32/454787132.db2.gz JWVRORYLALLRHI-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(C)cc1 ZINC000139001192 454801091 /nfs/dbraw/zinc/80/10/91/454801091.db2.gz TVAUFUSPGWOEFE-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000139322002 454804270 /nfs/dbraw/zinc/80/42/70/454804270.db2.gz IYEQCFDHSGEUAI-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000108741451 454810617 /nfs/dbraw/zinc/81/06/17/454810617.db2.gz CPGNELLPFVJDBO-NSHDSACASA-N 0 0 332.381 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000125444605 454822005 /nfs/dbraw/zinc/82/20/05/454822005.db2.gz QOIFVEFEDOXAKT-OAHLLOKOSA-N 0 0 348.399 3.240 10 5 EGBERN CC(C)[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000154027253 454857668 /nfs/dbraw/zinc/85/76/68/454857668.db2.gz BNIAMXZCYCQIOS-ZDUSSCGKSA-N 0 0 346.778 3.495 10 5 EGBERN CCCCOCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182306275 455485351 /nfs/dbraw/zinc/48/53/51/455485351.db2.gz NDVHEIMLIAKWQO-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN Cc1sc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000126849094 454921803 /nfs/dbraw/zinc/92/18/03/454921803.db2.gz IRWKEKGSTAGOGC-HZMBPMFUSA-N 0 0 344.458 3.166 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000154770299 454927485 /nfs/dbraw/zinc/92/74/85/454927485.db2.gz DCBHXPBYMBCSSP-MRXNPFEDSA-N 0 0 344.367 3.318 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 ZINC000191502472 455492400 /nfs/dbraw/zinc/49/24/00/455492400.db2.gz MNGZKNWRKNLFRE-JTQLQIEISA-N 0 0 336.779 3.298 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccccc2Oc2cccnc2)c1=O ZINC000127207991 454945327 /nfs/dbraw/zinc/94/53/27/454945327.db2.gz ALSCRHAQAHIILD-UHFFFAOYSA-N 0 0 337.335 3.301 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC000170634705 454945724 /nfs/dbraw/zinc/94/57/24/454945724.db2.gz QSMOZKUJLZARIP-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN COC(=O)c1cc(N(C)C[C@@H](C)c2nccs2)cc(C)c1[N+](=O)[O-] ZINC000182354756 455495765 /nfs/dbraw/zinc/49/57/65/455495765.db2.gz IFMYCQGNWVQLKK-LLVKDONJSA-N 0 0 349.412 3.386 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000127745949 454993874 /nfs/dbraw/zinc/99/38/74/454993874.db2.gz HVPQRJVJVBLLFS-SNVBAGLBSA-N 0 0 336.779 3.123 10 5 EGBERN O=C(NCCCC1CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000127779320 454997064 /nfs/dbraw/zinc/99/70/64/454997064.db2.gz HNGBYHOYLOTCEI-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151529386 454997247 /nfs/dbraw/zinc/99/72/47/454997247.db2.gz VZERRVODNSYCOI-GUYCJALGSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1cccnc1[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C ZINC000115113583 454998831 /nfs/dbraw/zinc/99/88/31/454998831.db2.gz LMEFRXFKFHCRJM-OAHLLOKOSA-N 0 0 328.372 3.129 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128219096 455036569 /nfs/dbraw/zinc/03/65/69/455036569.db2.gz ILLNQGIGMBFPKO-IUODEOHRSA-N 0 0 326.352 3.198 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(Cc3ccccc3)n2)c1=O ZINC000155887139 455058264 /nfs/dbraw/zinc/05/82/64/455058264.db2.gz HZQTUKPMIYUPAC-UHFFFAOYSA-N 0 0 341.392 3.161 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128886309 455089832 /nfs/dbraw/zinc/08/98/32/455089832.db2.gz ANUDICJVTTVOTL-BLLLJJGKSA-N 0 0 340.379 3.452 10 5 EGBERN O=c1cc(OCc2ccccc2)ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000118229247 455100517 /nfs/dbraw/zinc/10/05/17/455100517.db2.gz SDODYMKRRSLWFA-UHFFFAOYSA-N 0 0 336.347 3.384 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000612561846 460662448 /nfs/dbraw/zinc/66/24/48/460662448.db2.gz HJOKLTLRQKXHIE-CABZTGNLSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@H](c1ccccc1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180034026 455120006 /nfs/dbraw/zinc/12/00/06/455120006.db2.gz BWXWFEOTBGVOLG-LLVKDONJSA-N 0 0 328.324 3.157 10 5 EGBERN CCc1oc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1C ZINC000156569937 455133812 /nfs/dbraw/zinc/13/38/12/455133812.db2.gz LYOSPXAZGDKVSG-UHFFFAOYSA-N 0 0 332.312 3.098 10 5 EGBERN COC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000172765703 455184432 /nfs/dbraw/zinc/18/44/32/455184432.db2.gz ASURJUPBJLWLCM-INIZCTEOSA-N 0 0 341.367 3.279 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879957 455202460 /nfs/dbraw/zinc/20/24/60/455202460.db2.gz OALGHQWHXZNGJU-NEPJUHHUSA-N 0 0 347.371 3.183 10 5 EGBERN C[C@@](O)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000190458165 455321771 /nfs/dbraw/zinc/32/17/71/455321771.db2.gz BAKJJLOOKXYPCC-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174543353 455402154 /nfs/dbraw/zinc/40/21/54/455402154.db2.gz CSXLMIRJTWYUAU-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H](CC)C(=O)OCC ZINC000190941188 455410765 /nfs/dbraw/zinc/41/07/65/455410765.db2.gz NOPYLMJQSNBWPD-HNNXBMFYSA-N 0 0 336.388 3.097 10 5 EGBERN COc1ccc(OC(=O)C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000191014471 455424959 /nfs/dbraw/zinc/42/49/59/455424959.db2.gz CGGDDULNQAZQBT-LBPRGKRZSA-N 0 0 343.335 3.465 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000160154491 455432521 /nfs/dbraw/zinc/43/25/21/455432521.db2.gz QUVAZEBZPSTAQP-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000191501614 455491453 /nfs/dbraw/zinc/49/14/53/455491453.db2.gz HPMDIPJKGRKNHF-GFCCVEGCSA-N 0 0 346.387 3.089 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160859742 455506583 /nfs/dbraw/zinc/50/65/83/455506583.db2.gz SBFROAFNVQFMRU-QLJPJBMISA-N 0 0 329.356 3.211 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc(CC(C)C)ns2)c1 ZINC000185183139 455518087 /nfs/dbraw/zinc/51/80/87/455518087.db2.gz UICRUSYNZDHJOD-UHFFFAOYSA-N 0 0 337.357 3.224 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000185284731 455533545 /nfs/dbraw/zinc/53/35/45/455533545.db2.gz KOLHUILVTRPERM-WMLDXEAASA-N 0 0 340.379 3.413 10 5 EGBERN CO[C@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1ccccc1 ZINC000182637595 455558089 /nfs/dbraw/zinc/55/80/89/455558089.db2.gz VPYDQZLVIOOGQW-SJCJKPOMSA-N 0 0 326.352 3.260 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H](C)c2nccs2)CC1 ZINC000185619205 455585848 /nfs/dbraw/zinc/58/58/48/455585848.db2.gz ILMAODNRLYGTQR-CQSZACIVSA-N 0 0 346.456 3.239 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccncc2)CC1 ZINC000192294929 455588702 /nfs/dbraw/zinc/58/87/02/455588702.db2.gz XOWTXCPQWQVDLG-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cn1ncc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1C(F)F ZINC000612616230 460680548 /nfs/dbraw/zinc/68/05/48/460680548.db2.gz LQPTZWQYWUHQMA-UHFFFAOYSA-N 0 0 329.238 3.049 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000192457688 455621208 /nfs/dbraw/zinc/62/12/08/455621208.db2.gz QHBGJTGFXMWBMW-NSHDSACASA-N 0 0 334.401 3.141 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000271435734 455635480 /nfs/dbraw/zinc/63/54/80/455635480.db2.gz SLEVKWUHPJXHCK-ZDUSSCGKSA-N 0 0 330.388 3.236 10 5 EGBERN Cc1cc(C)c(N2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2=O)c(C)c1 ZINC000192548210 455639967 /nfs/dbraw/zinc/63/99/67/455639967.db2.gz HJLBMAJNEXXVQJ-LBPRGKRZSA-N 0 0 346.412 3.194 10 5 EGBERN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000292361016 455640818 /nfs/dbraw/zinc/64/08/18/455640818.db2.gz CQTDAQSWKMYLBF-LRDDRELGSA-N 0 0 338.379 3.022 10 5 EGBERN Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000192806435 455697561 /nfs/dbraw/zinc/69/75/61/455697561.db2.gz BAEZUIAVSHOQGR-CYBMUJFWSA-N 0 0 331.372 3.484 10 5 EGBERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284761598 455737316 /nfs/dbraw/zinc/73/73/16/455737316.db2.gz YLGGJGNGZCZSPB-QBIMZIAESA-N 0 0 344.415 3.381 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000193159811 455744354 /nfs/dbraw/zinc/74/43/54/455744354.db2.gz DTKOVVYPWKARDE-LLVKDONJSA-N 0 0 345.321 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccccc1C ZINC000193402729 455757218 /nfs/dbraw/zinc/75/72/18/455757218.db2.gz XYUGORIFZSCYQG-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(Cl)c2n1C ZINC000186536980 455788056 /nfs/dbraw/zinc/78/80/56/455788056.db2.gz GUYSUWHDLXOILA-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000251984384 455800736 /nfs/dbraw/zinc/80/07/36/455800736.db2.gz VOCYRRZQRCMGIO-KCXAZCMYSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271950023 455803237 /nfs/dbraw/zinc/80/32/37/455803237.db2.gz BJQNFVVGFNIWEJ-VXGBXAGGSA-N 0 0 326.418 3.288 10 5 EGBERN C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278279051 455804953 /nfs/dbraw/zinc/80/49/53/455804953.db2.gz YXJMSECRENCRHZ-CHWSQXEVSA-N 0 0 338.407 3.230 10 5 EGBERN C[C@@H](O)C[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278279105 455805363 /nfs/dbraw/zinc/80/53/63/455805363.db2.gz YXJMSECRENCRHZ-QWHCGFSZSA-N 0 0 338.407 3.230 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000269305627 455831641 /nfs/dbraw/zinc/83/16/41/455831641.db2.gz DMZZCHSVQPHGEN-QMMMGPOBSA-N 0 0 338.314 3.211 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000278731692 455846112 /nfs/dbraw/zinc/84/61/12/455846112.db2.gz WGBVGINPSKXCLS-WBMJQRKESA-N 0 0 336.391 3.248 10 5 EGBERN Cc1nn(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000601069539 460697850 /nfs/dbraw/zinc/69/78/50/460697850.db2.gz JKXRLSGWKSKRRF-PHIMTYICSA-N 0 0 333.310 3.346 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCc1ncc(C)s1 ZINC000280100090 455891988 /nfs/dbraw/zinc/89/19/88/455891988.db2.gz OZINDSAGMIKHSY-UHFFFAOYSA-N 0 0 349.412 3.073 10 5 EGBERN C[C@H](c1ccccc1Cl)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000272400995 455938482 /nfs/dbraw/zinc/93/84/82/455938482.db2.gz FEFCGUSJMRBLBI-SNVBAGLBSA-N 0 0 348.790 3.348 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC2(CC2)c2ccccc21 ZINC000270468403 455962719 /nfs/dbraw/zinc/96/27/19/455962719.db2.gz HCXZEJUNKWDDOJ-UHFFFAOYSA-N 0 0 337.379 3.399 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000188126255 456004066 /nfs/dbraw/zinc/00/40/66/456004066.db2.gz ROFANUSSIISNSH-BEFAXECRSA-N 0 0 346.427 3.485 10 5 EGBERN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000270787001 456037937 /nfs/dbraw/zinc/03/79/37/456037937.db2.gz VTGNPQAFPUWPFY-SNVBAGLBSA-N 0 0 348.790 3.348 10 5 EGBERN Cc1noc(C)c1C(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286388150 456038463 /nfs/dbraw/zinc/03/84/63/456038463.db2.gz DCOQACOWFBMSAP-UHFFFAOYSA-N 0 0 342.355 3.346 10 5 EGBERN CC(C)COC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286412915 456043351 /nfs/dbraw/zinc/04/33/51/456043351.db2.gz ORTIJYBKOIOJOS-UHFFFAOYSA-N 0 0 336.417 3.241 10 5 EGBERN Cc1ccc([C@@H]2CSCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949221 456045044 /nfs/dbraw/zinc/04/50/44/456045044.db2.gz OYUDLQAAKLVWSD-JKSUJKDBSA-N 0 0 348.424 3.320 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000601105770 460711754 /nfs/dbraw/zinc/71/17/54/460711754.db2.gz HQSWUBFOFAOQSF-UHFFFAOYSA-N 0 0 341.346 3.389 10 5 EGBERN CC[C@@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280782001 456051753 /nfs/dbraw/zinc/05/17/53/456051753.db2.gz SKLUKFYSAFLNOS-LLVKDONJSA-N 0 0 331.166 3.029 10 5 EGBERN CC(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000270859913 456054388 /nfs/dbraw/zinc/05/43/88/456054388.db2.gz JQQOUFCSYAFGIT-UHFFFAOYSA-N 0 0 337.445 3.023 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CC1CCC1)[C@@H](C)CO ZINC000280868117 456069424 /nfs/dbraw/zinc/06/94/24/456069424.db2.gz SRHCTKQPGRFJOD-UELRPHRMSA-N 0 0 332.400 3.008 10 5 EGBERN Nc1nc(NCc2cccc(OC3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000301270548 456076488 /nfs/dbraw/zinc/07/64/88/456076488.db2.gz XQWNNVHDYUCWGK-UHFFFAOYSA-N 0 0 343.387 3.291 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCC[C@@H]1CO ZINC000225270964 456076662 /nfs/dbraw/zinc/07/66/62/456076662.db2.gz KHEVDZJKPKGVBV-MWLCHTKSSA-N 0 0 329.194 3.320 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC2(C1)CCCCCC2 ZINC000301455097 456120924 /nfs/dbraw/zinc/12/09/24/456120924.db2.gz HBCDOLBVPPTYFS-UHFFFAOYSA-N 0 0 332.404 3.030 10 5 EGBERN CC(C)Cn1ccc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc21 ZINC000271093039 456122849 /nfs/dbraw/zinc/12/28/49/456122849.db2.gz INKVSRMDBMEWMX-UHFFFAOYSA-N 0 0 341.371 3.191 10 5 EGBERN COc1cc(N2CCO[C@@H](c3ccsc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271095051 456124961 /nfs/dbraw/zinc/12/49/61/456124961.db2.gz MDFYGJJDOUPXBN-OAHLLOKOSA-N 0 0 338.360 3.382 10 5 EGBERN COCCC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000289829913 456148547 /nfs/dbraw/zinc/14/85/47/456148547.db2.gz SMCIGZSWRHHSSC-UHFFFAOYSA-N 0 0 327.768 3.139 10 5 EGBERN CC(C)n1cc([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cn1 ZINC000601117245 460716869 /nfs/dbraw/zinc/71/68/69/460716869.db2.gz ZUMRAUBJXYQERG-MRVPVSSYSA-N 0 0 346.313 3.298 10 5 EGBERN Cc1nc(N[C@@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000301628276 456168219 /nfs/dbraw/zinc/16/82/19/456168219.db2.gz BPTNLGJLWCFLFG-OAHLLOKOSA-N 0 0 326.360 3.150 10 5 EGBERN Cc1nn(C)c(NC[C@H]2C[C@@]23CCCc2ccccc23)c1[N+](=O)[O-] ZINC000301648780 456173590 /nfs/dbraw/zinc/17/35/90/456173590.db2.gz OZNOVWPTJKHIAT-KDOFPFPSSA-N 0 0 326.400 3.343 10 5 EGBERN CC(C)CC[C@H]1CCCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301653605 456175463 /nfs/dbraw/zinc/17/54/63/456175463.db2.gz KOUYJSPTMHEXAH-CQSZACIVSA-N 0 0 344.415 3.398 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC000271228876 456183580 /nfs/dbraw/zinc/18/35/80/456183580.db2.gz SMIBQUHZHIWVNC-UHFFFAOYSA-N 0 0 343.383 3.168 10 5 EGBERN COC(=O)c1cc(NC[C@@H](O)c2cccc(C)c2)cc(C)c1[N+](=O)[O-] ZINC000301719189 456197777 /nfs/dbraw/zinc/19/77/77/456197777.db2.gz ZFBQQOBNDGCQEL-MRXNPFEDSA-N 0 0 344.367 3.144 10 5 EGBERN CN(CCc1cccs1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121783 460718648 /nfs/dbraw/zinc/71/86/48/460718648.db2.gz UUOLIBGMQMDHBY-UHFFFAOYSA-N 0 0 334.323 3.088 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301793098 456216150 /nfs/dbraw/zinc/21/61/50/456216150.db2.gz RRUUBQWFLOGFGA-WDEREUQCSA-N 0 0 345.321 3.460 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000301823902 456224441 /nfs/dbraw/zinc/22/44/41/456224441.db2.gz IBMSEXVMMJYSJB-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN CCSCC[C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126130 460720702 /nfs/dbraw/zinc/72/07/02/460720702.db2.gz ZANMKIBCVGFPNN-ZETCQYMHSA-N 0 0 326.344 3.291 10 5 EGBERN O=C1[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302090102 456284889 /nfs/dbraw/zinc/28/48/89/456284889.db2.gz ASTPLLSXCKEYJL-AWEZNQCLSA-N 0 0 346.774 3.251 10 5 EGBERN COc1cc(F)cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601137432 460726551 /nfs/dbraw/zinc/72/65/51/460726551.db2.gz XUONNYSSIJOWHH-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000302203877 456316314 /nfs/dbraw/zinc/31/63/14/456316314.db2.gz URHKKKKTIBIZFB-MRXNPFEDSA-N 0 0 344.346 3.034 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)c1 ZINC000302214415 456319469 /nfs/dbraw/zinc/31/94/69/456319469.db2.gz ZPZHZGIMIYDXLM-UHFFFAOYSA-N 0 0 332.278 3.160 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000342948793 456332498 /nfs/dbraw/zinc/33/24/98/456332498.db2.gz XXIAPRHFOUNWGS-UHFFFAOYSA-N 0 0 327.262 3.148 10 5 EGBERN COCC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccco1 ZINC000601140048 460728221 /nfs/dbraw/zinc/72/82/21/460728221.db2.gz QNXKNLRUTHIAAA-MRVPVSSYSA-N 0 0 348.281 3.130 10 5 EGBERN C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601142223 460728726 /nfs/dbraw/zinc/72/87/26/460728726.db2.gz NWADTMOWSOYDSB-LURJTMIESA-N 0 0 335.311 3.019 10 5 EGBERN CC(=O)c1ccc(N2CCn3c(C(C)C)nnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000302600012 456364033 /nfs/dbraw/zinc/36/40/33/456364033.db2.gz YEBNOYZZGZSWNP-LLVKDONJSA-N 0 0 343.387 3.094 10 5 EGBERN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000298175703 456381692 /nfs/dbraw/zinc/38/16/92/456381692.db2.gz CRRUWNQRQKBOEL-IUCAKERBSA-N 0 0 331.294 3.163 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000347845813 456402312 /nfs/dbraw/zinc/40/23/12/456402312.db2.gz KHHHWZQELGFHNL-MWLCHTKSSA-N 0 0 346.305 3.325 10 5 EGBERN C[C@](CO)(NCc1ccsc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601149524 460732682 /nfs/dbraw/zinc/73/26/82/460732682.db2.gz NPBGWAZCLCAVBO-CQSZACIVSA-N 0 0 326.805 3.307 10 5 EGBERN O=C1CCCN1Cc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302820738 456409998 /nfs/dbraw/zinc/40/99/98/456409998.db2.gz PSVMOEDRSJHIAJ-UHFFFAOYSA-N 0 0 343.358 3.468 10 5 EGBERN COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347878367 456422899 /nfs/dbraw/zinc/42/28/99/456422899.db2.gz PVTCKUAGMVABAL-WPRPVWTQSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000282138177 456423268 /nfs/dbraw/zinc/42/32/68/456423268.db2.gz PTIFLOGXEIFORP-LXZKKBNFSA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2cnccc2c1 ZINC000347898370 456424258 /nfs/dbraw/zinc/42/42/58/456424258.db2.gz QRXQFWIMYRLCIY-LLVKDONJSA-N 0 0 334.335 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1Cc1nc2cc(F)c(F)cc2c(=O)[nH]1 ZINC000337650330 456456731 /nfs/dbraw/zinc/45/67/31/456456731.db2.gz CTMJFHSTZAJPOG-UHFFFAOYSA-N 0 0 331.278 3.009 10 5 EGBERN CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000348084035 456466416 /nfs/dbraw/zinc/46/64/16/456466416.db2.gz XVSIYWMCHABHHH-LBPRGKRZSA-N 0 0 333.310 3.244 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)cc(F)c1F ZINC000348138388 456509648 /nfs/dbraw/zinc/50/96/48/456509648.db2.gz ZRTZBPRTQPTJKD-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN CC[C@@H](C)n1[nH]c(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C ZINC000343305733 456519220 /nfs/dbraw/zinc/51/92/20/456519220.db2.gz QAFDMYDBPDFRMN-SNVBAGLBSA-N 0 0 341.371 3.226 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000291097029 456527104 /nfs/dbraw/zinc/52/71/04/456527104.db2.gz SWOZNGWZEIPIBR-SJLPKXTDSA-N 0 0 349.431 3.240 10 5 EGBERN Cc1ccncc1N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340593475 456555034 /nfs/dbraw/zinc/55/50/34/456555034.db2.gz AXYQMYNVWBHYMQ-OAHLLOKOSA-N 0 0 326.400 3.181 10 5 EGBERN CC(C)(C)n1ncnc1COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000337937961 456610671 /nfs/dbraw/zinc/61/06/71/456610671.db2.gz HQWNRGTXQHQTRC-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN Cc1ccc(C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000277180921 456711796 /nfs/dbraw/zinc/71/17/96/456711796.db2.gz FGUVMZJPWCBEBK-QGZVFWFLSA-N 0 0 342.395 3.245 10 5 EGBERN O=C(Nc1cncc(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000343723815 456768786 /nfs/dbraw/zinc/76/87/86/456768786.db2.gz INESARCLOISKTE-UHFFFAOYSA-N 0 0 333.322 3.468 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nnc4ccccn43)CC2)c(F)c1 ZINC000301091075 456793718 /nfs/dbraw/zinc/79/37/18/456793718.db2.gz ONGNZBXLOLDSOM-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610616 456802493 /nfs/dbraw/zinc/80/24/93/456802493.db2.gz XEQLTWPTTGYPHU-HOTGVXAUSA-N 0 0 326.400 3.340 10 5 EGBERN O=[N+]([O-])c1c(NCCOc2ccc(F)cc2F)nc2sccn21 ZINC000301172458 456813078 /nfs/dbraw/zinc/81/30/78/456813078.db2.gz DZLBWQVJNWTZQN-UHFFFAOYSA-N 0 0 340.311 3.073 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277439457 456826086 /nfs/dbraw/zinc/82/60/86/456826086.db2.gz MLIHEVQYYCADGE-NSHDSACASA-N 0 0 331.294 3.079 10 5 EGBERN CCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C(F)(F)F ZINC000341661478 456888853 /nfs/dbraw/zinc/88/88/53/456888853.db2.gz DSVVIUSMCSRROD-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000353758274 456893653 /nfs/dbraw/zinc/89/36/53/456893653.db2.gz IHHDWGBKAOEILT-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN COCCC[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341732393 456919565 /nfs/dbraw/zinc/91/95/65/456919565.db2.gz WUUDAMXSXHJTEB-VIFPVBQESA-N 0 0 345.193 3.359 10 5 EGBERN O=C(C[C@H]1CCCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341737599 456921894 /nfs/dbraw/zinc/92/18/94/456921894.db2.gz OJVRJODMPJKOTC-GFCCVEGCSA-N 0 0 343.177 3.255 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cc1[N+](=O)[O-] ZINC000339122831 456951421 /nfs/dbraw/zinc/95/14/21/456951421.db2.gz IGBATWUQYYHYEN-UHFFFAOYSA-N 0 0 344.352 3.313 10 5 EGBERN CO[C@@H](C)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353908238 456960986 /nfs/dbraw/zinc/96/09/86/456960986.db2.gz UHJCGBNDNTYJPI-STQMWFEESA-N 0 0 340.445 3.347 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000341877531 456982464 /nfs/dbraw/zinc/98/24/64/456982464.db2.gz RQVKQHCIEFPLAN-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000339195365 456986336 /nfs/dbraw/zinc/98/63/36/456986336.db2.gz MNRMVDMLRTYLPY-JTQLQIEISA-N 0 0 335.310 3.410 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356465864 457003290 /nfs/dbraw/zinc/00/32/90/457003290.db2.gz AUMONNIMLFTCFU-SJLPKXTDSA-N 0 0 326.352 3.063 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000349662154 457010318 /nfs/dbraw/zinc/01/03/18/457010318.db2.gz MCWDTOLEDPPFKF-UHFFFAOYSA-N 0 0 337.379 3.157 10 5 EGBERN Cc1ccc(/C=C\CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000349699692 457020570 /nfs/dbraw/zinc/02/05/70/457020570.db2.gz YGIDBBXDTLEUAM-IHWYPQMZSA-N 0 0 337.379 3.286 10 5 EGBERN CC[C@H](C)Oc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccn1 ZINC000362644622 457022646 /nfs/dbraw/zinc/02/26/46/457022646.db2.gz TZRISQFIEDKGKR-NSHDSACASA-N 0 0 341.371 3.077 10 5 EGBERN Cn1c(-c2ccoc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000349759835 457041501 /nfs/dbraw/zinc/04/15/01/457041501.db2.gz SEZGHGVZVKWIGG-UHFFFAOYSA-N 0 0 339.355 3.152 10 5 EGBERN Cc1cc(OCc2nsc(N(C)C)n2)c(Cl)cc1[N+](=O)[O-] ZINC000349837398 457071843 /nfs/dbraw/zinc/07/18/43/457071843.db2.gz DBXIURKCQGZKCA-UHFFFAOYSA-N 0 0 328.781 3.053 10 5 EGBERN COc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000346679030 457107975 /nfs/dbraw/zinc/10/79/75/457107975.db2.gz YTMQZSUQBIAQRB-UHFFFAOYSA-N 0 0 343.383 3.026 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCc1noc(-c2ccccc2)n1 ZINC000349922196 457109529 /nfs/dbraw/zinc/10/95/29/457109529.db2.gz WPTLVRGAXCFIRU-UHFFFAOYSA-N 0 0 332.703 3.272 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000342188025 457158232 /nfs/dbraw/zinc/15/82/32/457158232.db2.gz XZOJVNDFOASMJM-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000342232632 457182627 /nfs/dbraw/zinc/18/26/27/457182627.db2.gz NWDSSUJTCNLIOI-UHFFFAOYSA-N 0 0 343.358 3.285 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000362995913 457189909 /nfs/dbraw/zinc/18/99/09/457189909.db2.gz FXLGDUDPOWIWCE-MRXNPFEDSA-N 0 0 334.416 3.273 10 5 EGBERN CCc1nc([C@@H]2CCCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)no1 ZINC000363014106 457197477 /nfs/dbraw/zinc/19/74/77/457197477.db2.gz HBNWUBPDYYXOSY-ZDUSSCGKSA-N 0 0 346.387 3.276 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000360011144 457202345 /nfs/dbraw/zinc/20/23/45/457202345.db2.gz TWCBTQJRZVOYTK-OLZOCXBDSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1cc(N(C)Cc2cnccn2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360075316 457240928 /nfs/dbraw/zinc/24/09/28/457240928.db2.gz UAIQRPGYFIRFKY-UHFFFAOYSA-N 0 0 326.278 3.348 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[C@@H](C(F)(F)F)C3)n2)n1C ZINC000347135043 457249489 /nfs/dbraw/zinc/24/94/89/457249489.db2.gz JDVZFBNZTFDUFI-JGVFFNPUSA-N 0 0 345.281 3.133 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000347220418 457295377 /nfs/dbraw/zinc/29/53/77/457295377.db2.gz PFIBZXHAFMEYLX-UHFFFAOYSA-N 0 0 335.404 3.176 10 5 EGBERN C[C@H](NC(=O)c1cccnc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000342472935 457323753 /nfs/dbraw/zinc/32/37/53/457323753.db2.gz MZTDJFUSXJEBMN-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN CNC(=O)c1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352014747 457330624 /nfs/dbraw/zinc/33/06/24/457330624.db2.gz SAYCTEBCHMKXKZ-UHFFFAOYSA-N 0 0 349.774 3.229 10 5 EGBERN Cc1nc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)co1 ZINC000347303179 457341167 /nfs/dbraw/zinc/34/11/67/457341167.db2.gz WOTHVKJIXRTYFQ-UHFFFAOYSA-N 0 0 338.226 3.210 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000360786622 457351622 /nfs/dbraw/zinc/35/16/22/457351622.db2.gz KFOMTSPDSNWQKR-NSHDSACASA-N 0 0 335.747 3.285 10 5 EGBERN C[C@H](N(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000347368847 457379834 /nfs/dbraw/zinc/37/98/34/457379834.db2.gz KJMVSOBTAFGAIW-AWEZNQCLSA-N 0 0 344.415 3.255 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000424962539 457389680 /nfs/dbraw/zinc/38/96/80/457389680.db2.gz DFFQUFGPFLXPFE-AEFFLSMTSA-N 0 0 344.342 3.361 10 5 EGBERN COc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000357306075 457433483 /nfs/dbraw/zinc/43/34/83/457433483.db2.gz BLJYREMAAAVLIO-RUDMXATFSA-N 0 0 338.323 3.143 10 5 EGBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342680314 457452396 /nfs/dbraw/zinc/45/23/96/457452396.db2.gz OUTGNQUPWMGNAY-YVEFUNNKSA-N 0 0 335.404 3.294 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425152029 457452755 /nfs/dbraw/zinc/45/27/55/457452755.db2.gz HHYGBUGKCNAVNH-DOFRTFSJSA-N 0 0 326.805 3.255 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCCC2 ZINC000363879992 457460049 /nfs/dbraw/zinc/46/00/49/457460049.db2.gz RCCNBXMUWFDFNM-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN CCc1n[nH]c(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000342721044 457478848 /nfs/dbraw/zinc/47/88/48/457478848.db2.gz DEMRFNMAAVXFKA-WFASDCNBSA-N 0 0 342.399 3.494 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000369998444 457494150 /nfs/dbraw/zinc/49/41/50/457494150.db2.gz RQUODNOIHCADCL-OAHLLOKOSA-N 0 0 339.395 3.257 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(O)c(F)c1 ZINC000357422244 457515041 /nfs/dbraw/zinc/51/50/41/457515041.db2.gz BVTNTOVVPSXWTE-UHFFFAOYSA-N 0 0 338.722 3.331 10 5 EGBERN Cc1c(NC(=O)c2ncsc2Br)cccc1[N+](=O)[O-] ZINC000361027281 457524005 /nfs/dbraw/zinc/52/40/05/457524005.db2.gz LPLDBPZOBVXLGX-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cn1nc2c(c1CNCc1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000361074133 457566398 /nfs/dbraw/zinc/56/63/98/457566398.db2.gz AURYDHDOJXJVGI-UHFFFAOYSA-N 0 0 334.807 3.150 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2CC23CC3)cc(Br)cc1[N+](=O)[O-] ZINC000425670249 457626932 /nfs/dbraw/zinc/62/69/32/457626932.db2.gz FJJMKCUXRMSXDM-LLVKDONJSA-N 0 0 340.177 3.340 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000370362165 457630094 /nfs/dbraw/zinc/63/00/94/457630094.db2.gz RUAYPLAYTNVYBR-CYBMUJFWSA-N 0 0 329.331 3.067 10 5 EGBERN COc1cc(NC[C@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000357634431 457634221 /nfs/dbraw/zinc/63/42/21/457634221.db2.gz YIXWPDNWNGIQEB-UGSOOPFHSA-N 0 0 346.358 3.321 10 5 EGBERN COc1cc(N2CCC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000374588430 457666617 /nfs/dbraw/zinc/66/66/17/457666617.db2.gz WFHKBYHDOOMQCI-LJQANCHMSA-N 0 0 342.395 3.134 10 5 EGBERN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])o2)no1 ZINC000374775158 457704256 /nfs/dbraw/zinc/70/42/56/457704256.db2.gz CTZUARDAEXDKPH-LLVKDONJSA-N 0 0 348.359 3.452 10 5 EGBERN O=[N+]([O-])c1cccc(OCc2nc(-c3ncsc3Cl)no2)c1 ZINC000361363658 457707212 /nfs/dbraw/zinc/70/72/12/457707212.db2.gz HYNSQMYPXJGAHH-UHFFFAOYSA-N 0 0 338.732 3.334 10 5 EGBERN C[C@H](C(=O)N1CC2CC1(C(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000411110737 457804416 /nfs/dbraw/zinc/80/44/16/457804416.db2.gz DOLGLALFPSLHIU-JUXJKVCFSA-N 0 0 346.280 3.391 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC23CCCCC3)s1 ZINC000371163043 457814635 /nfs/dbraw/zinc/81/46/35/457814635.db2.gz GCHNSCKYOSXQEE-UHFFFAOYSA-N 0 0 330.431 3.144 10 5 EGBERN CC(C)(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000443966238 457831401 /nfs/dbraw/zinc/83/14/01/457831401.db2.gz SEZTWSRMXGEMFN-CQSZACIVSA-N 0 0 340.383 3.370 10 5 EGBERN CCSc1cccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)c1 ZINC000426601965 457860376 /nfs/dbraw/zinc/86/03/76/457860376.db2.gz BSCDJOWUICRALV-UHFFFAOYSA-N 0 0 331.357 3.157 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000358216722 457865924 /nfs/dbraw/zinc/86/59/24/457865924.db2.gz AHGGTZZFXDBLGC-MRXNPFEDSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000358260019 457894780 /nfs/dbraw/zinc/89/47/80/457894780.db2.gz UOZLYVHXHRENDE-CQSZACIVSA-N 0 0 338.367 3.281 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC000426822865 457910110 /nfs/dbraw/zinc/91/01/10/457910110.db2.gz GGSZWPYKHUVECC-UHFFFAOYSA-N 0 0 343.295 3.093 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CCC(C(C)(C)C)CC2)n1 ZINC000427179029 457954697 /nfs/dbraw/zinc/95/46/97/457954697.db2.gz OLSLVVADHSZQJT-UHFFFAOYSA-N 0 0 336.436 3.488 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](CC(F)(F)F)C1 ZINC000434283425 457972154 /nfs/dbraw/zinc/97/21/54/457972154.db2.gz PLNZNHWELYIFRY-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN CCCc1n[nH]c(C(=O)N2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000458245050 457986708 /nfs/dbraw/zinc/98/67/08/457986708.db2.gz FCLADHAFBHAJPR-UHFFFAOYSA-N 0 0 334.763 3.080 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000427449178 457987717 /nfs/dbraw/zinc/98/77/17/457987717.db2.gz MTXRMKVTRVUXDM-OAHLLOKOSA-N 0 0 342.399 3.049 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC/C=C\c1ccccc1 ZINC000444900734 457994603 /nfs/dbraw/zinc/99/46/03/457994603.db2.gz TUAANEFUHZEXTO-YVMONPNESA-N 0 0 327.340 3.438 10 5 EGBERN Cn1ccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(F)cc2)n1 ZINC000358466729 458019677 /nfs/dbraw/zinc/01/96/77/458019677.db2.gz ZSMKYWQGECAOMM-INIZCTEOSA-N 0 0 327.319 3.064 10 5 EGBERN COCCCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445177232 458022961 /nfs/dbraw/zinc/02/29/61/458022961.db2.gz BVIBDAKCSAUWTO-UHFFFAOYSA-N 0 0 338.407 3.228 10 5 EGBERN Cc1sc(C(=O)Nc2nc3ccc(F)cc3n2C)cc1[N+](=O)[O-] ZINC000362149285 458036611 /nfs/dbraw/zinc/03/66/11/458036611.db2.gz ZRESJWLOYPWMSW-UHFFFAOYSA-N 0 0 334.332 3.243 10 5 EGBERN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000427963411 458058388 /nfs/dbraw/zinc/05/83/88/458058388.db2.gz ISOPVGXTCNHZJA-ZDUSSCGKSA-N 0 0 325.368 3.417 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427994056 458063745 /nfs/dbraw/zinc/06/37/45/458063745.db2.gz QWNZIBVTXPIEGH-UHFFFAOYSA-N 0 0 348.366 3.293 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2CCCc3ccccc32)n1 ZINC000445576715 458065842 /nfs/dbraw/zinc/06/58/42/458065842.db2.gz YMESUESWSLXLJU-GFCCVEGCSA-N 0 0 339.355 3.041 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@H](C)O1 ZINC000446074918 458141797 /nfs/dbraw/zinc/14/17/97/458141797.db2.gz ZUWSDRNCDIBLTF-UPJWGTAASA-N 0 0 331.372 3.248 10 5 EGBERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372010610 458159561 /nfs/dbraw/zinc/15/95/61/458159561.db2.gz PMKFKTSXYMWKIF-DGCLKSJQSA-N 0 0 329.331 3.147 10 5 EGBERN COc1cccc(C(=O)N2CCc3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC000435553125 458161140 /nfs/dbraw/zinc/16/11/40/458161140.db2.gz ATWDBGSASCLDPH-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412330649 458169680 /nfs/dbraw/zinc/16/96/80/458169680.db2.gz HAGUZTSEHPWGJK-APWZRJJASA-N 0 0 342.370 3.481 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cn(C)nc2C2CC2)ccc1[N+](=O)[O-] ZINC000412362172 458180947 /nfs/dbraw/zinc/18/09/47/458180947.db2.gz UNXOOJRXVUODHE-UHFFFAOYSA-N 0 0 344.371 3.245 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000428652361 458184205 /nfs/dbraw/zinc/18/42/05/458184205.db2.gz UEZQGERNEIXBGR-HIFRSBDPSA-N 0 0 339.342 3.144 10 5 EGBERN C[C@@]12CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000412376548 458184825 /nfs/dbraw/zinc/18/48/25/458184825.db2.gz AJRIUPQUNPCINA-UQIBQIPPSA-N 0 0 338.407 3.369 10 5 EGBERN COCC[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000412486611 458216316 /nfs/dbraw/zinc/21/63/16/458216316.db2.gz OPWSMTUUOOWDSV-ZDUSSCGKSA-N 0 0 338.407 3.084 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2cc(-c3ccncc3)n[nH]2)n1 ZINC000436424475 458303208 /nfs/dbraw/zinc/30/32/08/458303208.db2.gz FARFIPWEVPVEHK-UHFFFAOYSA-N 0 0 338.371 3.046 10 5 EGBERN Cc1nc(N2CCCN(c3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000376463467 458308719 /nfs/dbraw/zinc/30/87/19/458308719.db2.gz UDFHSIDAKHGLTQ-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN CCC(CC)[C@@H]1C[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671395 458327966 /nfs/dbraw/zinc/32/79/66/458327966.db2.gz MMRWQRXCDQACJK-LRDDRELGSA-N 0 0 332.404 3.289 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000430405350 458446426 /nfs/dbraw/zinc/44/64/26/458446426.db2.gz DPGORLZMLWGQMO-HOTGVXAUSA-N 0 0 344.342 3.093 10 5 EGBERN C[C@@H](CC(F)(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000459907001 458490964 /nfs/dbraw/zinc/49/09/64/458490964.db2.gz UYLIZAPWMRGQCM-QMMMGPOBSA-N 0 0 348.277 3.283 10 5 EGBERN COc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1O ZINC000438084759 458528582 /nfs/dbraw/zinc/52/85/82/458528582.db2.gz JWTPOQQIFWRSAC-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000431165199 458538910 /nfs/dbraw/zinc/53/89/10/458538910.db2.gz CZFMWZSJKYQNOC-UHFFFAOYSA-N 0 0 346.286 3.121 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CC23CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000462586295 458632914 /nfs/dbraw/zinc/63/29/14/458632914.db2.gz FMLRZCMFVIJMFM-CQSZACIVSA-N 0 0 325.368 3.392 10 5 EGBERN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1cccnc1C ZINC000439227048 458671756 /nfs/dbraw/zinc/67/17/56/458671756.db2.gz SNAUUSRFKQSHMO-UHFFFAOYSA-N 0 0 329.356 3.120 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000432340332 458720456 /nfs/dbraw/zinc/72/04/56/458720456.db2.gz YJELYWYAMXVUGA-GFCCVEGCSA-N 0 0 338.429 3.165 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1cccc(F)c1 ZINC000494673005 458726216 /nfs/dbraw/zinc/72/62/16/458726216.db2.gz JHGBGZLOTWLDHN-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H](F)C1 ZINC000424798094 458735256 /nfs/dbraw/zinc/73/52/56/458735256.db2.gz XNDROZIUXDWNFE-YPMHNXCESA-N 0 0 328.771 3.435 10 5 EGBERN COc1ccc(CN=c2cc(C3(C)CCCC3)o[nH]2)cc1[N+](=O)[O-] ZINC000432727844 458776257 /nfs/dbraw/zinc/77/62/57/458776257.db2.gz LCCCAFCYVHEAHI-UHFFFAOYSA-N 0 0 331.372 3.457 10 5 EGBERN CNc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000530835566 458833760 /nfs/dbraw/zinc/83/37/60/458833760.db2.gz MHJKNWGHATXREO-INIZCTEOSA-N 0 0 342.399 3.342 10 5 EGBERN Cc1ccc(CCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000440622691 458834745 /nfs/dbraw/zinc/83/47/45/458834745.db2.gz UOPBPLVBQFGUBA-UHFFFAOYSA-N 0 0 335.363 3.445 10 5 EGBERN COC[C@H](Cc1ccccc1)N(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000473705465 458840622 /nfs/dbraw/zinc/84/06/22/458840622.db2.gz KJAFKYJYRQOMBO-INIZCTEOSA-N 0 0 329.400 3.301 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000465881720 458859294 /nfs/dbraw/zinc/85/92/94/458859294.db2.gz YHUHKNYUTBPGFU-UHFFFAOYSA-N 0 0 345.374 3.208 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000531501626 458927033 /nfs/dbraw/zinc/92/70/33/458927033.db2.gz GQUNAGUZHLKSQK-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN CN(CCCO)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000441620116 458965592 /nfs/dbraw/zinc/96/55/92/458965592.db2.gz KWOYXUDMRMYYSM-UHFFFAOYSA-N 0 0 345.355 3.233 10 5 EGBERN C[C@@H]1CC[C@H](CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000577096106 458979839 /nfs/dbraw/zinc/97/98/39/458979839.db2.gz IZDADAXCWSBGDY-IUODEOHRSA-N 0 0 345.399 3.083 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531882284 458993636 /nfs/dbraw/zinc/99/36/36/458993636.db2.gz BPTCTAYUFYMASH-ZBCRRDGASA-N 0 0 347.415 3.190 10 5 EGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000532137212 459035839 /nfs/dbraw/zinc/03/58/39/459035839.db2.gz XBKXOGYQUKVGJF-UHFFFAOYSA-N 0 0 333.775 3.351 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000577530818 459048082 /nfs/dbraw/zinc/04/80/82/459048082.db2.gz RRSQYLNSAHPFSF-MRXNPFEDSA-N 0 0 340.383 3.006 10 5 EGBERN CCOC(=O)Cc1csc(Sc2c(F)cccc2[N+](=O)[O-])n1 ZINC000557477500 459076825 /nfs/dbraw/zinc/07/68/25/459076825.db2.gz RCCYWOLMKSLHSU-UHFFFAOYSA-N 0 0 342.373 3.447 10 5 EGBERN O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)c1)OCCO2 ZINC000594537081 459082788 /nfs/dbraw/zinc/08/27/88/459082788.db2.gz PMXBIEQSWQFNTA-MVWJERBFSA-N 0 0 343.339 3.320 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594590254 459100273 /nfs/dbraw/zinc/10/02/73/459100273.db2.gz JIBPTMMCJHOBRH-WMZOPIPTSA-N 0 0 348.399 3.070 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CC3)[C@H]3CCCCO3)c2c1 ZINC000594589892 459101118 /nfs/dbraw/zinc/10/11/18/459101118.db2.gz FDQSFDHJHPMFSV-HZPDHXFCSA-N 0 0 328.372 3.298 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](C[C@@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000594603345 459107758 /nfs/dbraw/zinc/10/77/58/459107758.db2.gz UJCZZTPGXZSYAC-JOYOIKCWSA-N 0 0 344.293 3.383 10 5 EGBERN CCN1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)C1=O ZINC000594700372 459133944 /nfs/dbraw/zinc/13/39/44/459133944.db2.gz FELCKSINJRXWRV-MRXNPFEDSA-N 0 0 340.383 3.371 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccccn3)C2)c1 ZINC000590565648 459150336 /nfs/dbraw/zinc/15/03/36/459150336.db2.gz OVPPZTZVYDWOBO-ZDUSSCGKSA-N 0 0 341.367 3.018 10 5 EGBERN CO[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000594885185 459166536 /nfs/dbraw/zinc/16/65/36/459166536.db2.gz AKMKWXWBVVPHDN-LLVKDONJSA-N 0 0 332.198 3.149 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC12CCOCC2 ZINC000590677111 459178775 /nfs/dbraw/zinc/17/87/75/459178775.db2.gz UEXNJXWAKGXISY-UHFFFAOYSA-N 0 0 344.289 3.009 10 5 EGBERN CCc1nn(C)c(NCC2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000480513040 459202093 /nfs/dbraw/zinc/20/20/93/459202093.db2.gz HLOBKAIDYUNIEU-UHFFFAOYSA-N 0 0 343.431 3.219 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(F)(c3ccccn3)CC2)nc2sccn21 ZINC000568018441 459209067 /nfs/dbraw/zinc/20/90/67/459209067.db2.gz ZAJDQUCRXMWHSM-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC12CCCC2 ZINC000582024537 459293109 /nfs/dbraw/zinc/29/31/09/459293109.db2.gz CKQUDBXFMCMRST-INIZCTEOSA-N 0 0 342.399 3.251 10 5 EGBERN CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000523417813 459298816 /nfs/dbraw/zinc/29/88/16/459298816.db2.gz TWVSYAYJUUIWIR-MNOVXSKESA-N 0 0 332.447 3.246 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000591068351 459304036 /nfs/dbraw/zinc/30/40/36/459304036.db2.gz KUVTZGOOQACFBO-GVDBMIGSSA-N 0 0 346.427 3.410 10 5 EGBERN COc1ccc(CNC(=O)N2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000595447130 459304411 /nfs/dbraw/zinc/30/44/11/459304411.db2.gz FWCVGAXQCRGJSA-OAHLLOKOSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(F)F ZINC000568544044 459306187 /nfs/dbraw/zinc/30/61/87/459306187.db2.gz MEYXCRPNOUCVSH-SECBINFHSA-N 0 0 325.315 3.026 10 5 EGBERN CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000595464764 459312207 /nfs/dbraw/zinc/31/22/07/459312207.db2.gz DNSODTDNHLEFSD-UHFFFAOYSA-N 0 0 333.310 3.373 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC000591263570 459343193 /nfs/dbraw/zinc/34/31/93/459343193.db2.gz XVTOQBOCYGYJDD-CQSZACIVSA-N 0 0 327.388 3.017 10 5 EGBERN O=C(CN1CCC(c2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595617527 459370290 /nfs/dbraw/zinc/37/02/90/459370290.db2.gz VPQNJGMSGXVCDU-UHFFFAOYSA-N 0 0 329.356 3.006 10 5 EGBERN CC[C@@H](NC(=O)NCCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595665440 459388915 /nfs/dbraw/zinc/38/89/15/459388915.db2.gz WYYWGJGOKYDSEN-VDSRIPIWSA-N 0 0 335.404 3.160 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C[C@]1(F)c1ccccc1)OCCO2 ZINC000591640238 459416589 /nfs/dbraw/zinc/41/65/89/459416589.db2.gz ZBKMXTXBBNSOGG-MSOLQXFVSA-N 0 0 344.342 3.093 10 5 EGBERN Cc1c(CN2CCO[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534631 459419158 /nfs/dbraw/zinc/41/91/58/459419158.db2.gz CPEOOZKJNFGPBA-SFHVURJKSA-N 0 0 342.395 3.183 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(OC)c(F)c2)c1 ZINC000541113188 459429067 /nfs/dbraw/zinc/42/90/67/459429067.db2.gz OELQVVUHRGACFJ-UHFFFAOYSA-N 0 0 348.330 3.184 10 5 EGBERN Cn1c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000497081679 459432121 /nfs/dbraw/zinc/43/21/21/459432121.db2.gz QOMNRQNEOIDLIU-LBPRGKRZSA-N 0 0 333.775 3.216 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000582980427 459462035 /nfs/dbraw/zinc/46/20/35/459462035.db2.gz GZXCSCYUNONDCM-UHFFFAOYSA-N 0 0 343.358 3.020 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](C4CC4)C3)o2)cc1 ZINC000485714870 459466125 /nfs/dbraw/zinc/46/61/25/459466125.db2.gz FOUOKUPTBXWIAL-GOSISDBHSA-N 0 0 328.368 3.466 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](C2CCCCC2)C1 ZINC000541718332 459481763 /nfs/dbraw/zinc/48/17/63/459481763.db2.gz IFBOTYCRIPDVJK-SFHVURJKSA-N 0 0 334.416 3.255 10 5 EGBERN CCOc1cc(N[C@@H]2C[C@@H](OCC)[C@H]2SC)ccc1[N+](=O)[O-] ZINC000591989963 459506434 /nfs/dbraw/zinc/50/64/34/459506434.db2.gz AYNKZBHCDBFWHK-DFBGVHRSSA-N 0 0 326.418 3.314 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C2CCCCC2)C1=O ZINC000562065395 459509391 /nfs/dbraw/zinc/50/93/91/459509391.db2.gz FUKDTHVKAUHKCV-XHDPSFHLSA-N 0 0 331.372 3.157 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525940113 459518045 /nfs/dbraw/zinc/51/80/45/459518045.db2.gz BEOQMOAIZSDPAE-MCIONIFRSA-N 0 0 331.416 3.454 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000542043563 459523875 /nfs/dbraw/zinc/52/38/75/459523875.db2.gz KCNOYKKNQJBTID-BLLLJJGKSA-N 0 0 336.388 3.125 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000592110886 459527020 /nfs/dbraw/zinc/52/70/20/459527020.db2.gz DYCNLQJESIUDON-INIZCTEOSA-N 0 0 338.429 3.079 10 5 EGBERN C[C@@H](C1CC1)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562273024 459527678 /nfs/dbraw/zinc/52/76/78/459527678.db2.gz WRRKJAFUXWHXTB-NSHDSACASA-N 0 0 330.388 3.059 10 5 EGBERN COc1cc(Nc2cnn(CC(F)F)c2)c(Cl)cc1[N+](=O)[O-] ZINC000596132802 459531105 /nfs/dbraw/zinc/53/11/05/459531105.db2.gz QPZADEBOQARONH-UHFFFAOYSA-N 0 0 332.694 3.462 10 5 EGBERN O=[N+]([O-])c1cc(N2CC[C@@](O)(C(F)(F)F)C2)ccc1C(F)(F)F ZINC000596134956 459532541 /nfs/dbraw/zinc/53/25/41/459532541.db2.gz BPCBSFMQVILICH-JTQLQIEISA-N 0 0 344.211 3.117 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596161067 459543493 /nfs/dbraw/zinc/54/34/93/459543493.db2.gz DBGMEHBWYYZDQR-UHFFFAOYSA-N 0 0 338.669 3.033 10 5 EGBERN COc1cc(NCc2cccc(N(C)C)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596174198 459547847 /nfs/dbraw/zinc/54/78/47/459547847.db2.gz JBMJBDZCKRCGCC-UHFFFAOYSA-N 0 0 336.779 3.330 10 5 EGBERN CCOC(=O)CC[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596177677 459549240 /nfs/dbraw/zinc/54/92/40/459549240.db2.gz GUQTUDOYROHLQQ-SECBINFHSA-N 0 0 330.768 3.401 10 5 EGBERN CCOC(=O)CC[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596177678 459549324 /nfs/dbraw/zinc/54/93/24/459549324.db2.gz GUQTUDOYROHLQQ-VIFPVBQESA-N 0 0 330.768 3.401 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@](C)(c2ccccc2)C1 ZINC000583510545 459552373 /nfs/dbraw/zinc/55/23/73/459552373.db2.gz VBTYPKYRCDODOE-SFHVURJKSA-N 0 0 328.368 3.355 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000596185751 459552426 /nfs/dbraw/zinc/55/24/26/459552426.db2.gz PJGNPGFZYVYIFW-CABZTGNLSA-N 0 0 342.779 3.262 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@H]1C1CC1 ZINC000583541675 459555387 /nfs/dbraw/zinc/55/53/87/459555387.db2.gz KFWWRWHQCZFAGO-MRXNPFEDSA-N 0 0 336.338 3.207 10 5 EGBERN Cc1cc(N2CC[C@@H](OCc3c(C)noc3C)C2)c([N+](=O)[O-])s1 ZINC000596198838 459559070 /nfs/dbraw/zinc/55/90/70/459559070.db2.gz WYRKFIBUQRKAQH-GFCCVEGCSA-N 0 0 337.401 3.365 10 5 EGBERN COc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223614 459565670 /nfs/dbraw/zinc/56/56/70/459565670.db2.gz PTKKESKTPSHDBO-RFAUZJTJSA-N 0 0 326.780 3.261 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCCO1 ZINC000596221554 459565891 /nfs/dbraw/zinc/56/58/91/459565891.db2.gz YMOYFYZESXWXNP-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000596267027 459580239 /nfs/dbraw/zinc/58/02/39/459580239.db2.gz YFJMKHOVUBZIHF-RKDXNWHRSA-N 0 0 328.752 3.014 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596272775 459581101 /nfs/dbraw/zinc/58/11/01/459581101.db2.gz JUFXQHPCHWCLHJ-YUMQZZPRSA-N 0 0 330.793 3.341 10 5 EGBERN COc1cc2c(cc1F)CN(c1c(OC)cccc1[N+](=O)[O-])CC2 ZINC000583703854 459584200 /nfs/dbraw/zinc/58/42/00/459584200.db2.gz MCZNPIOXBHEAKO-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN CC1(C)CCC[C@H]1[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289155 459585790 /nfs/dbraw/zinc/58/57/90/459585790.db2.gz WHGTZGBGAYLCNP-DOMZBBRYSA-N 0 0 331.416 3.346 10 5 EGBERN CCCC[C@](C)(CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288357 459586096 /nfs/dbraw/zinc/58/60/96/459586096.db2.gz ILPRGKXKXUHTTN-OAHLLOKOSA-N 0 0 344.795 3.388 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCS[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596293158 459587086 /nfs/dbraw/zinc/58/70/86/459587086.db2.gz TUCVRLHNUVQCRJ-HTQZYQBOSA-N 0 0 330.793 3.341 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000527094350 459589507 /nfs/dbraw/zinc/58/95/07/459589507.db2.gz QQORVOCDCOAEST-IGQOVBAYSA-N 0 0 335.404 3.172 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC1(CS(C)(=O)=O)CC1 ZINC000596316918 459594562 /nfs/dbraw/zinc/59/45/62/459594562.db2.gz OMVCCHUKWBACDG-UHFFFAOYSA-N 0 0 346.836 3.183 10 5 EGBERN CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000596359681 459607449 /nfs/dbraw/zinc/60/74/49/459607449.db2.gz IVEDJJFWIQGGCV-UHFFFAOYSA-N 0 0 339.395 3.034 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000596366564 459609727 /nfs/dbraw/zinc/60/97/27/459609727.db2.gz CMDLCOXABQVMJL-JMSVASOKSA-N 0 0 326.368 3.020 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccnc2ccccc12 ZINC000596424509 459632401 /nfs/dbraw/zinc/63/24/01/459632401.db2.gz KPFNRDGOIWOQLK-UHFFFAOYSA-N 0 0 325.372 3.322 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000596453666 459641531 /nfs/dbraw/zinc/64/15/31/459641531.db2.gz JPQCGAGEJXGGPV-XOKHGSTOSA-N 0 0 349.431 3.238 10 5 EGBERN C[C@@]12COC[C@@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000596481062 459651291 /nfs/dbraw/zinc/65/12/91/459651291.db2.gz SKSNJJAAPJUETN-BLLLJJGKSA-N 0 0 331.397 3.191 10 5 EGBERN COC(=O)C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000596495463 459656373 /nfs/dbraw/zinc/65/63/73/459656373.db2.gz XWDLVKXFQWXPBT-SECBINFHSA-N 0 0 347.293 3.010 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000596498566 459656838 /nfs/dbraw/zinc/65/68/38/459656838.db2.gz FMYJVLNITJOFOH-CLAHSXSESA-N 0 0 347.293 3.010 10 5 EGBERN CCOc1cc(N2CCO[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596502241 459658602 /nfs/dbraw/zinc/65/86/02/459658602.db2.gz LHDAPEBBRQHVPF-ZANVPECISA-N 0 0 334.294 3.150 10 5 EGBERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)F ZINC000592673194 459661346 /nfs/dbraw/zinc/66/13/46/459661346.db2.gz SHBOHNDWAHETQV-SSDOTTSWSA-N 0 0 338.257 3.217 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000592675980 459662033 /nfs/dbraw/zinc/66/20/33/459662033.db2.gz HEAYOLXHHGEIQN-UHFFFAOYSA-N 0 0 332.381 3.392 10 5 EGBERN Cc1cc([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000596510988 459662317 /nfs/dbraw/zinc/66/23/17/459662317.db2.gz NXGSCIBFBUTXSV-JTQLQIEISA-N 0 0 349.774 3.357 10 5 EGBERN CC1(C)[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1(F)F ZINC000596512266 459662360 /nfs/dbraw/zinc/66/23/60/459662360.db2.gz BUGUDEKEUYAZPS-QMMMGPOBSA-N 0 0 336.136 3.456 10 5 EGBERN Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(Cl)c1C ZINC000592679572 459662935 /nfs/dbraw/zinc/66/29/35/459662935.db2.gz XJXAYOIQRMNRTI-UHFFFAOYSA-N 0 0 336.779 3.435 10 5 EGBERN CN(c1ccccc1)[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596517842 459663810 /nfs/dbraw/zinc/66/38/10/459663810.db2.gz PYZYUSSFDDTIIQ-HNNXBMFYSA-N 0 0 337.383 3.186 10 5 EGBERN CCc1nc2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2s1 ZINC000592683702 459665413 /nfs/dbraw/zinc/66/54/13/459665413.db2.gz GEBMRRIIMOVSKD-UHFFFAOYSA-N 0 0 345.384 3.236 10 5 EGBERN CCCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000543575449 459670452 /nfs/dbraw/zinc/67/04/52/459670452.db2.gz YUACYSFMOVLHKT-UHFFFAOYSA-N 0 0 338.404 3.157 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596559464 459677264 /nfs/dbraw/zinc/67/72/64/459677264.db2.gz YZTOFLLRBHPHMW-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN COC(=O)c1cc(N[C@H](c2ccccc2)[C@H](C)O)cc(C)c1[N+](=O)[O-] ZINC000596567111 459679480 /nfs/dbraw/zinc/67/94/80/459679480.db2.gz OUDBRAMKSRURNQ-LRDDRELGSA-N 0 0 344.367 3.224 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(C)(CC(F)F)C2)c1 ZINC000592834592 459701398 /nfs/dbraw/zinc/70/13/98/459701398.db2.gz FPUZEXKLAFDHMG-UHFFFAOYSA-N 0 0 342.342 3.176 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501124236 459712598 /nfs/dbraw/zinc/71/25/98/459712598.db2.gz HQAUCGBBZVKYEH-FZMZJTMJSA-N 0 0 335.404 3.439 10 5 EGBERN Cc1nn(CCC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000592900811 459715852 /nfs/dbraw/zinc/71/58/52/459715852.db2.gz IIHPEQFJZZTGCA-KRWDZBQOSA-N 0 0 346.431 3.001 10 5 EGBERN CNc1ccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592901607 459717385 /nfs/dbraw/zinc/71/73/85/459717385.db2.gz LPDRRGYSYFGRJC-INIZCTEOSA-N 0 0 329.400 3.453 10 5 EGBERN O=C([O-])[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658778 459717899 /nfs/dbraw/zinc/71/78/99/459717899.db2.gz VBKVWZHFRVSZQC-OIISXLGYSA-N 0 0 346.427 3.397 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592949800 459722949 /nfs/dbraw/zinc/72/29/49/459722949.db2.gz HAARQKZAKAHFLD-LLVKDONJSA-N 0 0 348.428 3.291 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592949801 459723423 /nfs/dbraw/zinc/72/34/23/459723423.db2.gz HAARQKZAKAHFLD-NSHDSACASA-N 0 0 348.428 3.291 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573778521 459733027 /nfs/dbraw/zinc/73/30/27/459733027.db2.gz WEPVBZGJAUFHDI-JTQLQIEISA-N 0 0 339.342 3.416 10 5 EGBERN COc1ccc(OCCn2cc(C(F)(F)F)c(C)n2)c([N+](=O)[O-])c1 ZINC000592990244 459733152 /nfs/dbraw/zinc/73/31/52/459733152.db2.gz YREUNYSKFHUWGJ-UHFFFAOYSA-N 0 0 345.277 3.206 10 5 EGBERN CCCCCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000596714293 459738562 /nfs/dbraw/zinc/73/85/62/459738562.db2.gz WOISZZPMTFFFBN-UHFFFAOYSA-N 0 0 328.372 3.254 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000596823454 459771640 /nfs/dbraw/zinc/77/16/40/459771640.db2.gz POFHUKTVJZFPSC-STQMWFEESA-N 0 0 335.404 3.087 10 5 EGBERN C[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000596845986 459778073 /nfs/dbraw/zinc/77/80/73/459778073.db2.gz KASRSWAUFGWEGY-JTQLQIEISA-N 0 0 346.305 3.131 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@]4(CC4(F)F)C3)co2)cc1 ZINC000593119185 459779138 /nfs/dbraw/zinc/77/91/38/459779138.db2.gz VPNUFFPQJQJUIA-HNNXBMFYSA-N 0 0 335.310 3.481 10 5 EGBERN CN(Cc1c[nH]cn1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899019 459790169 /nfs/dbraw/zinc/79/01/69/459790169.db2.gz CXYZBNABESBUEM-UHFFFAOYSA-N 0 0 331.376 3.279 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000596899220 459790376 /nfs/dbraw/zinc/79/03/76/459790376.db2.gz FOLVOOGDYJTIOH-VXGBXAGGSA-N 0 0 349.431 3.373 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nccn1C ZINC000596930682 459799063 /nfs/dbraw/zinc/79/90/63/459799063.db2.gz DMMDEGWEYMRBML-CYBMUJFWSA-N 0 0 345.403 3.010 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593188873 459801102 /nfs/dbraw/zinc/80/11/02/459801102.db2.gz DQNLXQOBTGQAJC-AWEZNQCLSA-N 0 0 325.315 3.475 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593221884 459811984 /nfs/dbraw/zinc/81/19/84/459811984.db2.gz KLPOAFDPEVTCBA-IUODEOHRSA-N 0 0 348.399 3.238 10 5 EGBERN CS[C@@H]1CCCC[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593226024 459814121 /nfs/dbraw/zinc/81/41/21/459814121.db2.gz HCYSFUDCBIFVES-ZIAGYGMSSA-N 0 0 344.383 3.206 10 5 EGBERN COC(=O)c1cc(N2CCCc3occc3C2)cc(C)c1[N+](=O)[O-] ZINC000584862192 459815416 /nfs/dbraw/zinc/81/54/16/459815416.db2.gz QNPXYISUPIZFMX-UHFFFAOYSA-N 0 0 330.340 3.236 10 5 EGBERN CCc1nc(C)ccc1OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593237894 459816402 /nfs/dbraw/zinc/81/64/02/459816402.db2.gz ZNDLYQOXSJJDHI-UHFFFAOYSA-N 0 0 330.340 3.226 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593240414 459817182 /nfs/dbraw/zinc/81/71/82/459817182.db2.gz GSCORIYJPJCFBI-UHFFFAOYSA-N 0 0 328.328 3.218 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2cc(F)ccc2O1 ZINC000593298834 459833357 /nfs/dbraw/zinc/83/33/57/459833357.db2.gz CYWUOBBBUNPUQW-AWEZNQCLSA-N 0 0 345.330 3.161 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000597092422 459835586 /nfs/dbraw/zinc/83/55/86/459835586.db2.gz KLASGGQCXNVCJW-UFBFGSQYSA-N 0 0 344.799 3.013 10 5 EGBERN Nc1c(NC(=O)NC[C@H]2CCCSC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597092717 459835661 /nfs/dbraw/zinc/83/56/61/459835661.db2.gz QVBLEBYJSBULBE-MRVPVSSYSA-N 0 0 344.824 3.095 10 5 EGBERN Nc1c(NC(=O)N2CCC[C@H](C3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091963 459835693 /nfs/dbraw/zinc/83/56/93/459835693.db2.gz GKZWVJMHBQLNKC-JTQLQIEISA-N 0 0 338.795 3.484 10 5 EGBERN Nc1c(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090737 459835872 /nfs/dbraw/zinc/83/58/72/459835872.db2.gz PYZYGUZVBICZKW-AOOOYVTPSA-N 0 0 338.795 3.484 10 5 EGBERN C[C@H]1CCSCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098077 459836778 /nfs/dbraw/zinc/83/67/78/459836778.db2.gz RKGZZCSIWDAVPQ-QMMMGPOBSA-N 0 0 344.824 3.190 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000593315192 459839077 /nfs/dbraw/zinc/83/90/77/459839077.db2.gz XTBXKYMPIPFZOG-UHFFFAOYSA-N 0 0 340.379 3.488 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000598251867 459840428 /nfs/dbraw/zinc/84/04/28/459840428.db2.gz WQBYUWBGWZCSGY-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)OCC12CCC2 ZINC000593319719 459840471 /nfs/dbraw/zinc/84/04/71/459840471.db2.gz OQHWDMBVYZLZPU-HOCLYGCPSA-N 0 0 346.427 3.334 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000598251839 459840719 /nfs/dbraw/zinc/84/07/19/459840719.db2.gz VYCYCWSGXUJTEC-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN CCOc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)nc1C ZINC000597126870 459844302 /nfs/dbraw/zinc/84/43/02/459844302.db2.gz LKOXCAFDSBEZAY-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)COCC1CC1 ZINC000593332432 459849370 /nfs/dbraw/zinc/84/93/70/459849370.db2.gz MRQXWWGISRVYIS-JTQLQIEISA-N 0 0 326.780 3.102 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000598295915 459851779 /nfs/dbraw/zinc/85/17/79/459851779.db2.gz IOXZCEWXIWRHMX-HUUCEWRRSA-N 0 0 347.415 3.154 10 5 EGBERN C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000598298541 459852862 /nfs/dbraw/zinc/85/28/62/459852862.db2.gz GCXYAJCZTOYVQA-NEPJUHHUSA-N 0 0 338.379 3.037 10 5 EGBERN CCc1cccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000593341364 459853650 /nfs/dbraw/zinc/85/36/50/459853650.db2.gz WJMBWTNRLUDDFB-UHFFFAOYSA-N 0 0 328.368 3.025 10 5 EGBERN O=C(NC1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598317861 459864615 /nfs/dbraw/zinc/86/46/15/459864615.db2.gz PMJQPNSKBFKTGT-UHFFFAOYSA-N 0 0 328.290 3.432 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](O)C(F)(F)C2)o1 ZINC000597189196 459868014 /nfs/dbraw/zinc/86/80/14/459868014.db2.gz ZNRZWOLCTCJIRH-OAHLLOKOSA-N 0 0 338.310 3.057 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@@H](CC)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593370876 459869084 /nfs/dbraw/zinc/86/90/84/459869084.db2.gz OKNNFQYCJBLPSB-DAXOMENPSA-N 0 0 335.404 3.255 10 5 EGBERN Cc1cccc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c1[N+](=O)[O-] ZINC000598354636 459876792 /nfs/dbraw/zinc/87/67/92/459876792.db2.gz YBMRGTJDOPFJPI-AEFFLSMTSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598356018 459878106 /nfs/dbraw/zinc/87/81/06/459878106.db2.gz YWKVCKWAEJOPDB-AWEZNQCLSA-N 0 0 332.400 3.088 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CCC2 ZINC000598365361 459879942 /nfs/dbraw/zinc/87/99/42/459879942.db2.gz VRDMRFUFYZLWTG-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC[C@H](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000598397853 459888955 /nfs/dbraw/zinc/88/89/55/459888955.db2.gz BRDZSMKSACXCQB-ZDUSSCGKSA-N 0 0 346.383 3.034 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2ccon2)CC1 ZINC000598401248 459890640 /nfs/dbraw/zinc/89/06/40/459890640.db2.gz RYVQDACRCBGPAM-UHFFFAOYSA-N 0 0 335.747 3.256 10 5 EGBERN CC(C)(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000587465916 459893533 /nfs/dbraw/zinc/89/35/33/459893533.db2.gz LXCSMLXWSZFQLP-UHFFFAOYSA-N 0 0 329.400 3.449 10 5 EGBERN COc1ccc(C(C)(C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587571102 459893626 /nfs/dbraw/zinc/89/36/26/459893626.db2.gz HWQVMCKAIUSEAC-UHFFFAOYSA-N 0 0 345.399 3.068 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccs1 ZINC000574938433 459896248 /nfs/dbraw/zinc/89/62/48/459896248.db2.gz ASGWQMAPWXNLHP-UHFFFAOYSA-N 0 0 344.396 3.180 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462398 459896308 /nfs/dbraw/zinc/89/63/08/459896308.db2.gz VWPJYNNZYJNFHW-QWHCGFSZSA-N 0 0 342.399 3.202 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000587978730 459897044 /nfs/dbraw/zinc/89/70/44/459897044.db2.gz ZXPZHPLIRVMHIV-KRWDZBQOSA-N 0 0 331.372 3.103 10 5 EGBERN Nc1cc(NCC2(Sc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587974632 459897071 /nfs/dbraw/zinc/89/70/71/459897071.db2.gz RMTOGUGTDZJHRQ-UHFFFAOYSA-N 0 0 345.424 3.406 10 5 EGBERN Nc1cc(N2CCC[C@@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587971377 459897408 /nfs/dbraw/zinc/89/74/08/459897408.db2.gz HHEMAKFUALDPMO-HNNXBMFYSA-N 0 0 341.411 3.128 10 5 EGBERN Cn1nc2c(c1CNc1ccnc3cc([N+](=O)[O-])ccc31)CCCC2 ZINC000593473515 459899973 /nfs/dbraw/zinc/89/99/73/459899973.db2.gz RXEVTGTUMFLNAQ-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@@H]1SC ZINC000593479107 459901622 /nfs/dbraw/zinc/90/16/22/459901622.db2.gz XYZXDSNOTDOGFA-OAGGEKHMSA-N 0 0 333.413 3.464 10 5 EGBERN Cn1ncc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1C(F)F ZINC000588007882 459901951 /nfs/dbraw/zinc/90/19/51/459901951.db2.gz GKCDRMCJBUZMAF-UHFFFAOYSA-N 0 0 326.288 3.014 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NC[C@@]3(CO)CCc4ccccc43)c2c1 ZINC000593485296 459903266 /nfs/dbraw/zinc/90/32/66/459903266.db2.gz VXOPEZCZVCAGBM-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN COc1cc(NC[C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000593484558 459903518 /nfs/dbraw/zinc/90/35/18/459903518.db2.gz PNSHEFATSXSGIT-GOSISDBHSA-N 0 0 346.358 3.031 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CCC1CC1)CC1CC1 ZINC000598466672 459904868 /nfs/dbraw/zinc/90/48/68/459904868.db2.gz SWTCKPWISKUJGB-UHFFFAOYSA-N 0 0 328.372 3.123 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H](C1CC1)C1CCOCC1 ZINC000593490873 459905428 /nfs/dbraw/zinc/90/54/28/459905428.db2.gz BPPGBWAMHORYNC-KRWDZBQOSA-N 0 0 327.384 3.182 10 5 EGBERN COc1cccc(C(=O)N(C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598469013 459905596 /nfs/dbraw/zinc/90/55/96/459905596.db2.gz JNJQBDOGCOXPRF-CQSZACIVSA-N 0 0 340.379 3.405 10 5 EGBERN CCc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000593509737 459911658 /nfs/dbraw/zinc/91/16/58/459911658.db2.gz PIKFFXFKBPXSQU-UHFFFAOYSA-N 0 0 334.397 3.173 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000618172958 459920467 /nfs/dbraw/zinc/92/04/67/459920467.db2.gz FDAILSOPACVEOX-CQSZACIVSA-N 0 0 329.404 3.026 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588180637 459927602 /nfs/dbraw/zinc/92/76/02/459927602.db2.gz HIOWDGLNVORJQH-AWEZNQCLSA-N 0 0 339.342 3.113 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000597363755 459930387 /nfs/dbraw/zinc/93/03/87/459930387.db2.gz GQBAQMXERORBPZ-UHFFFAOYSA-N 0 0 341.289 3.482 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000598540208 459932877 /nfs/dbraw/zinc/93/28/77/459932877.db2.gz PJVDEAQNWKOTAI-SJKOYZFVSA-N 0 0 328.368 3.009 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000598540949 459932907 /nfs/dbraw/zinc/93/29/07/459932907.db2.gz UPDCWENGESKFMI-PBHICJAKSA-N 0 0 342.395 3.372 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC2CC1(c1ccccc1)C2 ZINC000598554804 459936281 /nfs/dbraw/zinc/93/62/81/459936281.db2.gz MKIDCIIMZVQGGV-UHFFFAOYSA-N 0 0 338.363 3.121 10 5 EGBERN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1)C1CCC1 ZINC000597407054 459942479 /nfs/dbraw/zinc/94/24/79/459942479.db2.gz QPSLFEJUVCIEAR-UHFFFAOYSA-N 0 0 327.388 3.252 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598575376 459945648 /nfs/dbraw/zinc/94/56/48/459945648.db2.gz IOZZEOOMKDRHOQ-CYBMUJFWSA-N 0 0 340.379 3.340 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000598575857 459945738 /nfs/dbraw/zinc/94/57/38/459945738.db2.gz DMQNDWDAXKOSFM-AWEZNQCLSA-N 0 0 348.399 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000598577449 459947457 /nfs/dbraw/zinc/94/74/57/459947457.db2.gz PDUCINQCBAPGIJ-NSHDSACASA-N 0 0 341.367 3.114 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)CC(F)(F)F ZINC000598581027 459950719 /nfs/dbraw/zinc/95/07/19/459950719.db2.gz GKODEATTWRWEKS-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN Cc1ccccc1SCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609455047 459965611 /nfs/dbraw/zinc/96/56/11/459965611.db2.gz UQTKOKVLMHCKHS-UHFFFAOYSA-N 0 0 346.408 3.191 10 5 EGBERN Cc1cc(NCC[C@H]2CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598635100 459972125 /nfs/dbraw/zinc/97/21/25/459972125.db2.gz BAYXVVPYVYVOCU-LBPRGKRZSA-N 0 0 334.326 3.239 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CC1(F)F ZINC000598654952 459980809 /nfs/dbraw/zinc/98/08/09/459980809.db2.gz NOAPMHOGJUNHRO-VIFPVBQESA-N 0 0 329.303 3.160 10 5 EGBERN CCOC(=O)CCC1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000588823978 459986576 /nfs/dbraw/zinc/98/65/76/459986576.db2.gz PNKXPDKSOAUZGN-UHFFFAOYSA-N 0 0 348.399 3.357 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000588836997 459988851 /nfs/dbraw/zinc/98/88/51/459988851.db2.gz JAKHFPGVEOMUIP-UHFFFAOYSA-N 0 0 331.225 3.236 10 5 EGBERN Cc1c(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000593802044 459989276 /nfs/dbraw/zinc/98/92/76/459989276.db2.gz KGFFFNJDNPJRKC-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN C[C@@H](Cc1ccsc1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588891040 459997667 /nfs/dbraw/zinc/99/76/67/459997667.db2.gz UREGQCLSJAMRMH-VIFPVBQESA-N 0 0 340.351 3.224 10 5 EGBERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609676071 460006958 /nfs/dbraw/zinc/00/69/58/460006958.db2.gz NSNYUIUUPWYQJK-STQMWFEESA-N 0 0 326.418 3.090 10 5 EGBERN COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609797176 460020523 /nfs/dbraw/zinc/02/05/23/460020523.db2.gz KUIQPEXWNSPZFM-CYBMUJFWSA-N 0 0 348.790 3.343 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597665791 460022444 /nfs/dbraw/zinc/02/24/44/460022444.db2.gz NCYQBRYLOBZWKT-LBPRGKRZSA-N 0 0 332.278 3.159 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609857232 460030493 /nfs/dbraw/zinc/03/04/93/460030493.db2.gz CBACNMISVUACKI-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598779689 460031444 /nfs/dbraw/zinc/03/14/44/460031444.db2.gz CPFNXYSHVQUUSU-SSDOTTSWSA-N 0 0 349.131 3.132 10 5 EGBERN Cc1c(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000598803202 460041494 /nfs/dbraw/zinc/04/14/94/460041494.db2.gz MJFRYECTHUOCOH-HUUCEWRRSA-N 0 0 326.352 3.272 10 5 EGBERN CNc1ccc(C(=O)NC[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000609996024 460046926 /nfs/dbraw/zinc/04/69/26/460046926.db2.gz JYTVNYHPQNKFBU-ZDUSSCGKSA-N 0 0 327.384 3.478 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C2CCC2)cnn1C ZINC000598843584 460062699 /nfs/dbraw/zinc/06/26/99/460062699.db2.gz UQUDAILXLULLQL-UHFFFAOYSA-N 0 0 344.371 3.247 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000598866280 460075238 /nfs/dbraw/zinc/07/52/38/460075238.db2.gz OQMYVFFJWQGYDF-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN COC1CC(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000597861409 460081955 /nfs/dbraw/zinc/08/19/55/460081955.db2.gz LRGOOGMNGZXFFN-UHFFFAOYSA-N 0 0 346.305 3.159 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(=O)OC(C)(C)C ZINC000597879710 460093354 /nfs/dbraw/zinc/09/33/54/460093354.db2.gz SNFOSVJWOQEDFF-LBPRGKRZSA-N 0 0 336.388 3.096 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)n1 ZINC000597886676 460095824 /nfs/dbraw/zinc/09/58/24/460095824.db2.gz UBKUPPNMYXTVJX-CQSZACIVSA-N 0 0 342.399 3.405 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCc3cccnc32)c1 ZINC000598946802 460098714 /nfs/dbraw/zinc/09/87/14/460098714.db2.gz JFOQUIBGLRZNMH-LBPRGKRZSA-N 0 0 343.408 3.172 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000610266827 460098975 /nfs/dbraw/zinc/09/89/75/460098975.db2.gz HMMKPRXNQQZHDE-QGZVFWFLSA-N 0 0 346.408 3.415 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000610266826 460099266 /nfs/dbraw/zinc/09/92/66/460099266.db2.gz HMMKPRXNQQZHDE-KRWDZBQOSA-N 0 0 346.408 3.415 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000598951689 460099550 /nfs/dbraw/zinc/09/95/50/460099550.db2.gz XJSJTZFMYUPMFD-CQSZACIVSA-N 0 0 339.395 3.114 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccn(C2CCOCC2)n1 ZINC000598960734 460104029 /nfs/dbraw/zinc/10/40/29/460104029.db2.gz GRGDFYMGQWWTSS-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1cccc([N+](=O)[O-])c1 ZINC000598971695 460109544 /nfs/dbraw/zinc/10/95/44/460109544.db2.gz BEMUQKBIXZTRRU-GLQYFDAESA-N 0 0 335.429 3.335 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000594135851 460120819 /nfs/dbraw/zinc/12/08/19/460120819.db2.gz RBGNYTCJINLDED-HDJSIYSDSA-N 0 0 347.415 3.245 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594134903 460121185 /nfs/dbraw/zinc/12/11/85/460121185.db2.gz IKDIAULUSPJZRY-JOCQHMNTSA-N 0 0 336.388 3.069 10 5 EGBERN CC(C)(C(=O)N1CCCC2(CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000597955442 460126189 /nfs/dbraw/zinc/12/61/89/460126189.db2.gz PEYHRSALGSXHPU-UHFFFAOYSA-N 0 0 334.420 3.099 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594160204 460132684 /nfs/dbraw/zinc/13/26/84/460132684.db2.gz DGLLZKLIIMHAPM-MFKMUULPSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1ncc2c(n1)CC[C@H](Nc1ccc3cnccc3c1[N+](=O)[O-])C2 ZINC000599032575 460133980 /nfs/dbraw/zinc/13/39/80/460133980.db2.gz UKLBTWDXFQRLEJ-AWEZNQCLSA-N 0 0 335.367 3.211 10 5 EGBERN C[C@@H]1CC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000597979881 460134768 /nfs/dbraw/zinc/13/47/68/460134768.db2.gz OWECIGLGMFPZPR-QWRGUYRKSA-N 0 0 334.372 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594165703 460135371 /nfs/dbraw/zinc/13/53/71/460135371.db2.gz RHTYAFUFIJGFPW-AAEUAGOBSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594184437 460140391 /nfs/dbraw/zinc/14/03/91/460140391.db2.gz XEUAHLKSLVVFBB-UKRRQHHQSA-N 0 0 338.429 3.394 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599064711 460147652 /nfs/dbraw/zinc/14/76/52/460147652.db2.gz GSXPWZIXVLZNMC-GDBMZVCRSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594204605 460149790 /nfs/dbraw/zinc/14/97/90/460149790.db2.gz RXKPXKXAEYVQOW-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000598063825 460158200 /nfs/dbraw/zinc/15/82/00/460158200.db2.gz JJFYSLNZLWFOOC-KRWDZBQOSA-N 0 0 344.367 3.029 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)cc1C(F)(F)F ZINC000599092920 460159410 /nfs/dbraw/zinc/15/94/10/460159410.db2.gz KRYGKTKDTLECMW-UHFFFAOYSA-N 0 0 335.301 3.095 10 5 EGBERN C[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599102595 460161328 /nfs/dbraw/zinc/16/13/28/460161328.db2.gz NDRAWCOWWCVXLR-FZMZJTMJSA-N 0 0 344.342 3.162 10 5 EGBERN COc1cc(Br)ccc1CNc1cccnc1[N+](=O)[O-] ZINC000614518363 460161976 /nfs/dbraw/zinc/16/19/76/460161976.db2.gz ZIAFWPJIIUTDIS-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN COc1cc(NCc2c(C(F)(F)F)cnn2C)c(F)cc1[N+](=O)[O-] ZINC000599124683 460168292 /nfs/dbraw/zinc/16/82/92/460168292.db2.gz PAHSRNISMBUBGR-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN C[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526440 460176209 /nfs/dbraw/zinc/17/62/09/460176209.db2.gz MVNGSOAVHYGNMH-QWHCGFSZSA-N 0 0 345.424 3.390 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530761 460178156 /nfs/dbraw/zinc/17/81/56/460178156.db2.gz AQRJYZLHLULGSU-SJORKVTESA-N 0 0 349.431 3.286 10 5 EGBERN CCCN(Cc1ccc(OC)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000599159722 460182497 /nfs/dbraw/zinc/18/24/97/460182497.db2.gz CHLAFLKTOWMNEA-UHFFFAOYSA-N 0 0 345.399 3.095 10 5 EGBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC1 ZINC000599171072 460186039 /nfs/dbraw/zinc/18/60/39/460186039.db2.gz XSERKRPBHRGVTR-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CO[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000599181069 460190628 /nfs/dbraw/zinc/19/06/28/460190628.db2.gz PHAYPCYJPQJJPY-ZBFHGGJFSA-N 0 0 325.368 3.058 10 5 EGBERN COC(=O)c1cnc(NCC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599185030 460192358 /nfs/dbraw/zinc/19/23/58/460192358.db2.gz QDYOBKQBNXDNBW-UHFFFAOYSA-N 0 0 347.293 3.311 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC2(CC2)CC1 ZINC000599205143 460198282 /nfs/dbraw/zinc/19/82/82/460198282.db2.gz IBOLKUSXCDIAFJ-UHFFFAOYSA-N 0 0 327.388 3.161 10 5 EGBERN CC(C)[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594378104 460200795 /nfs/dbraw/zinc/20/07/95/460200795.db2.gz ZPPDSCSBJLTUQH-RHSMWYFYSA-N 0 0 346.427 3.168 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)O1 ZINC000598210360 460205140 /nfs/dbraw/zinc/20/51/40/460205140.db2.gz BDZSAQLFQZVMAW-MFKMUULPSA-N 0 0 334.397 3.497 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000598215718 460207480 /nfs/dbraw/zinc/20/74/80/460207480.db2.gz XZHMAXRYQNHZMX-WCQYABFASA-N 0 0 338.379 3.085 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598215652 460207543 /nfs/dbraw/zinc/20/75/43/460207543.db2.gz XQCHVYABPFSCFP-BZPMIXESSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594410988 460211039 /nfs/dbraw/zinc/21/10/39/460211039.db2.gz ODKWFRSUVRONAB-DLBZAZTESA-N 0 0 349.431 3.251 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](CCF)C1 ZINC000598222893 460211298 /nfs/dbraw/zinc/21/12/98/460211298.db2.gz DNXMBLJMPHXUIH-SNVBAGLBSA-N 0 0 330.306 3.014 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598228207 460214411 /nfs/dbraw/zinc/21/44/11/460214411.db2.gz PTDOQDZRQGQSQL-RYUDHWBXSA-N 0 0 326.343 3.436 10 5 EGBERN COc1cc(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1F ZINC000610715041 460223670 /nfs/dbraw/zinc/22/36/70/460223670.db2.gz FWQNNFJSLWCWLC-MRVPVSSYSA-N 0 0 346.318 3.498 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000610716203 460223932 /nfs/dbraw/zinc/22/39/32/460223932.db2.gz GKECWKQDGQWSBJ-SFHVURJKSA-N 0 0 348.399 3.169 10 5 EGBERN COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610772437 460234442 /nfs/dbraw/zinc/23/44/42/460234442.db2.gz QIDXEPBJZWRAOS-INIZCTEOSA-N 0 0 341.367 3.366 10 5 EGBERN O=[N+]([O-])c1ccc(SCCc2nnnn2-c2ccccc2)c(F)c1 ZINC000618965148 460235259 /nfs/dbraw/zinc/23/52/59/460235259.db2.gz RCPPIGOQFPXEDX-UHFFFAOYSA-N 0 0 345.359 3.044 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000610918714 460260532 /nfs/dbraw/zinc/26/05/32/460260532.db2.gz SWYHKHLTGBEXPF-UHFFFAOYSA-N 0 0 333.294 3.046 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599527455 460268584 /nfs/dbraw/zinc/26/85/84/460268584.db2.gz AURLGVXXRCQXMO-HSWBROFVSA-N 0 0 338.429 3.103 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599543226 460271018 /nfs/dbraw/zinc/27/10/18/460271018.db2.gz NKDQHQNIRANCEF-NSHDSACASA-N 0 0 347.337 3.410 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599543225 460271075 /nfs/dbraw/zinc/27/10/75/460271075.db2.gz NKDQHQNIRANCEF-LLVKDONJSA-N 0 0 347.337 3.410 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCCCO1 ZINC000611196593 460305963 /nfs/dbraw/zinc/30/59/63/460305963.db2.gz LFOWXWHBUGKBHR-OAHLLOKOSA-N 0 0 345.399 3.401 10 5 EGBERN Cc1sc(C(=O)NCCOc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000603506442 460314230 /nfs/dbraw/zinc/31/42/30/460314230.db2.gz FHFGIJLQDOJKKO-UHFFFAOYSA-N 0 0 334.397 3.390 10 5 EGBERN COC(=O)C1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599696557 460315053 /nfs/dbraw/zinc/31/50/53/460315053.db2.gz PAINCTYEVXMNAK-UWVGGRQHSA-N 0 0 342.342 3.035 10 5 EGBERN COc1ccc(NC(=O)N2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000599770506 460330806 /nfs/dbraw/zinc/33/08/06/460330806.db2.gz MRFSSJARJPXRMK-UHFFFAOYSA-N 0 0 347.396 3.371 10 5 EGBERN COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599834282 460344553 /nfs/dbraw/zinc/34/45/53/460344553.db2.gz DXETXIPCUFOIPP-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CCC(CC)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599835204 460344566 /nfs/dbraw/zinc/34/45/66/460344566.db2.gz KGRYHIREUNDBSZ-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834347 460344912 /nfs/dbraw/zinc/34/49/12/460344912.db2.gz HPQGGCKAIOANSW-VIFPVBQESA-N 0 0 336.298 3.310 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835737 460345510 /nfs/dbraw/zinc/34/55/10/460345510.db2.gz NVOARUZDFRIULD-CYBMUJFWSA-N 0 0 332.385 3.159 10 5 EGBERN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CS1 ZINC000599840839 460347019 /nfs/dbraw/zinc/34/70/19/460347019.db2.gz UMNQWUOYPOHSLS-UWVGGRQHSA-N 0 0 332.385 3.159 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000619419843 460350960 /nfs/dbraw/zinc/35/09/60/460350960.db2.gz MZAPFHUKQVOELI-LBPRGKRZSA-N 0 0 335.379 3.015 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC000611499368 460377359 /nfs/dbraw/zinc/37/73/59/460377359.db2.gz CWLGFTHVBKSOCH-UHFFFAOYSA-N 0 0 336.697 3.249 10 5 EGBERN Cn1ccnc1[C@H](NCc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000611560269 460398852 /nfs/dbraw/zinc/39/88/52/460398852.db2.gz JLIRYFIUHPHMGR-OAHLLOKOSA-N 0 0 346.774 3.454 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611586057 460411112 /nfs/dbraw/zinc/41/11/12/460411112.db2.gz LCHUPWMNYWTEKH-SECBINFHSA-N 0 0 334.706 3.092 10 5 EGBERN O=C(NCC(C1CCC1)C1CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600163910 460414850 /nfs/dbraw/zinc/41/48/50/460414850.db2.gz CLRQHUAKXJZDDK-UHFFFAOYSA-N 0 0 346.383 3.270 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC(C2CCOCC2)C1 ZINC000619699372 460418195 /nfs/dbraw/zinc/41/81/95/460418195.db2.gz MBISAHLTUWPFGP-UHFFFAOYSA-N 0 0 330.306 3.476 10 5 EGBERN CCc1nn(C)c(N2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000619704616 460419676 /nfs/dbraw/zinc/41/96/76/460419676.db2.gz VVGIZCXCDBPNHA-KRWDZBQOSA-N 0 0 332.379 3.274 10 5 EGBERN CCC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OCC ZINC000600174777 460420296 /nfs/dbraw/zinc/42/02/96/460420296.db2.gz NWCRSZXMGBSYCQ-GFCCVEGCSA-N 0 0 328.796 3.492 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C2CCCCC2)c1 ZINC000600196992 460434957 /nfs/dbraw/zinc/43/49/57/460434957.db2.gz POUYPYWLWLYJLQ-UHFFFAOYSA-N 0 0 328.372 3.478 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000600209928 460441350 /nfs/dbraw/zinc/44/13/50/460441350.db2.gz YCJWJWNLUVZLND-OWCLPIDISA-N 0 0 343.770 3.020 10 5 EGBERN CCc1nc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000604547313 460444602 /nfs/dbraw/zinc/44/46/02/460444602.db2.gz DBRYPEAWKVOCRC-UHFFFAOYSA-N 0 0 344.396 3.367 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(=O)CC(C)(C)C2)c1 ZINC000600304879 460469222 /nfs/dbraw/zinc/46/92/22/460469222.db2.gz IYQDXWFXCYLIQE-UHFFFAOYSA-N 0 0 336.413 3.148 10 5 EGBERN CSc1ccc(C(=O)N2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000600366302 460483388 /nfs/dbraw/zinc/48/33/88/460483388.db2.gz KRSMPARRGHMVTR-UHFFFAOYSA-N 0 0 332.381 3.224 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600394757 460489115 /nfs/dbraw/zinc/48/91/15/460489115.db2.gz QSNIDIVJBJWUSJ-UHFFFAOYSA-N 0 0 344.314 3.125 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000616176795 460491373 /nfs/dbraw/zinc/49/13/73/460491373.db2.gz MJOPAQBFYFFRIM-LLVKDONJSA-N 0 0 345.355 3.348 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600446568 460497060 /nfs/dbraw/zinc/49/70/60/460497060.db2.gz NIPUDCPNAYONPM-DRNSDYETSA-N 0 0 334.397 3.351 10 5 EGBERN CSc1ccc(C(=O)NCC(=O)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000600486676 460505326 /nfs/dbraw/zinc/50/53/26/460505326.db2.gz KRENKYKAWGJFJB-UHFFFAOYSA-N 0 0 336.413 3.196 10 5 EGBERN Cc1c(CNC(=O)NCC(C)(C)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000616254639 460511445 /nfs/dbraw/zinc/51/14/45/460511445.db2.gz BYDAFODUVFYUNK-INIZCTEOSA-N 0 0 349.431 3.298 10 5 EGBERN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600520150 460511519 /nfs/dbraw/zinc/51/15/19/460511519.db2.gz NMUNNWGFQCSLNC-WCQYABFASA-N 0 0 332.381 3.107 10 5 EGBERN CCC(C)(C)NC(=O)CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600572498 460528557 /nfs/dbraw/zinc/52/85/57/460528557.db2.gz SZRHQEYKGZQWBC-UHFFFAOYSA-N 0 0 326.418 3.012 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])s2)CCN1Cc1ccc(F)cc1 ZINC000616402986 460547024 /nfs/dbraw/zinc/54/70/24/460547024.db2.gz GZKXXMREHSSLAH-GFCCVEGCSA-N 0 0 335.360 3.008 10 5 EGBERN C[C@H]1Oc2ccccc2[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165728 460738364 /nfs/dbraw/zinc/73/83/64/460738364.db2.gz FTSBBGVLLBBQCC-GMSGAONNSA-N 0 0 342.277 3.281 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)nc2c1 ZINC000601190013 460744824 /nfs/dbraw/zinc/74/48/24/460744824.db2.gz ZCABMTMAFCFSSD-XKQJLSEDSA-N 0 0 344.415 3.381 10 5 EGBERN CCn1nc(C)c(CN(C)c2cc([N+](=O)[O-])ccc2C(C)=O)c1C ZINC000601209127 460750646 /nfs/dbraw/zinc/75/06/46/460750646.db2.gz BYFRMUBRMWOJNJ-UHFFFAOYSA-N 0 0 330.388 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(O)CCN(c3ccccc3)CC2)s1 ZINC000601223519 460755446 /nfs/dbraw/zinc/75/54/46/460755446.db2.gz DXUFTEZZCKQNGZ-UHFFFAOYSA-N 0 0 347.440 3.490 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000601225953 460756479 /nfs/dbraw/zinc/75/64/79/460756479.db2.gz BSPGPYBKWSAPGJ-GFCCVEGCSA-N 0 0 344.346 3.459 10 5 EGBERN Cc1cc(N2CCO[C@H](C(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000601230968 460758842 /nfs/dbraw/zinc/75/88/42/460758842.db2.gz GOBWXPSMQYKDQJ-AWEZNQCLSA-N 0 0 337.326 3.312 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601246336 460764568 /nfs/dbraw/zinc/76/45/68/460764568.db2.gz QMZJOGCRATUMTI-GJZGRUSLSA-N 0 0 337.351 3.203 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CCC3)[C@@H]3CCCO3)c2c1 ZINC000601250152 460765566 /nfs/dbraw/zinc/76/55/66/460765566.db2.gz JAKXVXBRSXGLJT-JKSUJKDBSA-N 0 0 328.372 3.298 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)s1 ZINC000612894404 460765890 /nfs/dbraw/zinc/76/58/90/460765890.db2.gz XTXYQRYAWYGURK-UHFFFAOYSA-N 0 0 345.336 3.068 10 5 EGBERN COCc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000612902226 460766871 /nfs/dbraw/zinc/76/68/71/460766871.db2.gz DENJYYZICKFQDJ-UHFFFAOYSA-N 0 0 326.312 3.162 10 5 EGBERN CC[C@@H](NC(=O)c1cncc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000601281285 460774686 /nfs/dbraw/zinc/77/46/86/460774686.db2.gz MMTUITFUIRFKHR-OAHLLOKOSA-N 0 0 329.356 3.188 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c([N+](=O)[O-])s1 ZINC000601281479 460775644 /nfs/dbraw/zinc/77/56/44/460775644.db2.gz OIFMCUKIOIHIQF-UHFFFAOYSA-N 0 0 338.410 3.106 10 5 EGBERN O=C(Nc1ccc(CCO)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601301190 460781180 /nfs/dbraw/zinc/78/11/80/460781180.db2.gz UCHCYTWTIULROC-UHFFFAOYSA-N 0 0 340.379 3.190 10 5 EGBERN Cc1cc(S(=O)(=O)N(C2CC2)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601305542 460783003 /nfs/dbraw/zinc/78/30/03/460783003.db2.gz ZLIDFPDUHJNEMS-UHFFFAOYSA-N 0 0 330.431 3.060 10 5 EGBERN O=C(NC[C@H](O)C1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601321969 460788985 /nfs/dbraw/zinc/78/89/85/460788985.db2.gz VTLSVQQGPQEFDW-KRWDZBQOSA-N 0 0 346.427 3.074 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1noc(C2(C(F)F)CCC2)n1 ZINC000601361672 460795350 /nfs/dbraw/zinc/79/53/50/460795350.db2.gz CVSAWLWSKJTEIQ-UHFFFAOYSA-N 0 0 338.314 3.319 10 5 EGBERN Cc1cc(Cc2noc([C@]34CCC[C@H]3OCC4)n2)ccc1[N+](=O)[O-] ZINC000601367772 460796792 /nfs/dbraw/zinc/79/67/92/460796792.db2.gz ZLUARKLETITUJC-PBHICJAKSA-N 0 0 329.356 3.088 10 5 EGBERN Cc1cc(Cc2noc([C@@H]3C[C@H]3C3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000601366524 460796923 /nfs/dbraw/zinc/79/69/23/460796923.db2.gz DCMRFFYIZRSJEK-LSDHHAIUSA-N 0 0 343.383 3.407 10 5 EGBERN C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000613027406 460808214 /nfs/dbraw/zinc/80/82/14/460808214.db2.gz XOXUECLQRYGDQB-IINYFYTJSA-N 0 0 326.343 3.218 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)O1 ZINC000601471619 460817980 /nfs/dbraw/zinc/81/79/80/460817980.db2.gz DRFHKFNCGONFDX-OAHLLOKOSA-N 0 0 332.400 3.090 10 5 EGBERN COCc1sccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000601594427 460842372 /nfs/dbraw/zinc/84/23/72/460842372.db2.gz CHPQQCJNBSHCRX-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN COCc1cncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000613178765 460853872 /nfs/dbraw/zinc/85/38/72/460853872.db2.gz APAJZBIVILQCLQ-UHFFFAOYSA-N 0 0 343.383 3.187 10 5 EGBERN CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 ZINC000601698567 460874665 /nfs/dbraw/zinc/87/46/65/460874665.db2.gz IRVWUTADOMKMSO-INIZCTEOSA-N 0 0 330.340 3.176 10 5 EGBERN Cn1cc(C(=O)N[C@H]2CCCC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601703958 460876585 /nfs/dbraw/zinc/87/65/85/460876585.db2.gz HRDONDXFTNQFQZ-HNNXBMFYSA-N 0 0 340.383 3.058 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(CCF)CC1 ZINC000601747035 460889058 /nfs/dbraw/zinc/88/90/58/460889058.db2.gz IQYNGFIUNQFJCH-UHFFFAOYSA-N 0 0 333.363 3.217 10 5 EGBERN C[C@H](CC1CCCC1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775507 460895248 /nfs/dbraw/zinc/89/52/48/460895248.db2.gz FHZQKQOMMLFWGD-ACJLOTCBSA-N 0 0 334.416 3.135 10 5 EGBERN C[C@](CO)(NC(=O)CCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000601781462 460895929 /nfs/dbraw/zinc/89/59/29/460895929.db2.gz WOTXXKYFIJJCLG-QGZVFWFLSA-N 0 0 348.424 3.003 10 5 EGBERN CCCc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601787145 460897045 /nfs/dbraw/zinc/89/70/45/460897045.db2.gz MMAYUKBCSPSJRB-KRWDZBQOSA-N 0 0 348.424 3.246 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCn1c2ccccc2nc1C(F)(F)F ZINC000601912158 460940630 /nfs/dbraw/zinc/94/06/30/460940630.db2.gz LRLAVBHHLXWFGM-UHFFFAOYSA-N 0 0 339.277 3.168 10 5 EGBERN Cc1c(NCCc2ccnn2C)cc(Br)cc1[N+](=O)[O-] ZINC000601925946 460946441 /nfs/dbraw/zinc/94/64/41/460946441.db2.gz KYKKSZUYQIYSBY-UHFFFAOYSA-N 0 0 339.193 3.054 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175190095 534219113 /nfs/dbraw/zinc/21/91/13/534219113.db2.gz BZQMGIUIBRMUPO-UONOGXRCSA-N 0 0 331.416 3.456 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000183588884 534424973 /nfs/dbraw/zinc/42/49/73/534424973.db2.gz XYBKSNOGQUEXJF-DTWKUNHWSA-N 0 0 332.282 3.232 10 5 EGBERN CC(=O)c1ccc(NCCCNC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000351764394 534868596 /nfs/dbraw/zinc/86/85/96/534868596.db2.gz RIYPLKANGZVEAM-UHFFFAOYSA-N 0 0 341.367 3.029 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840619 527954390 /nfs/dbraw/zinc/95/43/90/527954390.db2.gz JUBPJKPKEFFBFR-AWEZNQCLSA-N 0 0 339.823 3.129 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000357996262 536524754 /nfs/dbraw/zinc/52/47/54/536524754.db2.gz UYNKFQVUUKPXFH-GJZGRUSLSA-N 0 0 326.352 3.198 10 5 EGBERN COc1cc(N2CCC(c3nccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000363777112 536826250 /nfs/dbraw/zinc/82/62/50/536826250.db2.gz KGWREHRUDNXJJU-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351775661 536978888 /nfs/dbraw/zinc/97/88/88/536978888.db2.gz QWUHBFNVBCPUKG-UHFFFAOYSA-N 0 0 331.303 3.337 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(CC(C)C)cc2)c1=O ZINC000127322148 546767938 /nfs/dbraw/zinc/76/79/38/546767938.db2.gz USWWFWGAOZBOKT-UHFFFAOYSA-N 0 0 328.368 3.146 10 5 EGBERN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000182997185 547088790 /nfs/dbraw/zinc/08/87/90/547088790.db2.gz LERVXWDPDIDDLR-MRVPVSSYSA-N 0 0 339.804 3.259 10 5 EGBERN CCOC(=O)c1cc(N2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000374922465 547813739 /nfs/dbraw/zinc/81/37/39/547813739.db2.gz AEJWKTYKEXTKCY-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC(C)C)cc1 ZINC000726636020 574564461 /nfs/dbraw/zinc/56/44/61/574564461.db2.gz VJFYCIDABKWOEJ-UHFFFAOYSA-N 0 0 330.340 3.442 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(F)c1 ZINC000728202211 574729400 /nfs/dbraw/zinc/72/94/00/574729400.db2.gz WDVWPZAFVFZYMT-NSHDSACASA-N 0 0 329.331 3.124 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCCc1ccccc1C(F)(F)F ZINC000729910959 574895189 /nfs/dbraw/zinc/89/51/89/574895189.db2.gz GYTUSKGROHFVPC-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000730015635 574903858 /nfs/dbraw/zinc/90/38/58/574903858.db2.gz YGWAQPMZSUEGIN-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000730350673 574975031 /nfs/dbraw/zinc/97/50/31/574975031.db2.gz YVDJQPYXMVVIDN-HZPDHXFCSA-N 0 0 327.336 3.450 10 5 EGBERN CN(C(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000730569155 575002191 /nfs/dbraw/zinc/00/21/91/575002191.db2.gz HBOODKLFVRVJQD-UHFFFAOYSA-N 0 0 341.433 3.492 10 5 EGBERN C/C(=C/C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000731978543 575228685 /nfs/dbraw/zinc/22/86/85/575228685.db2.gz MXCVOAHBDWGBGI-QBFSEMIESA-N 0 0 328.343 3.496 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000731993709 575229974 /nfs/dbraw/zinc/22/99/74/575229974.db2.gz JISOHXUVBBJEJQ-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN C/C(=C\C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000732051870 575234410 /nfs/dbraw/zinc/23/44/10/575234410.db2.gz FDVDIMQAQYGFGZ-ACCUITESSA-N 0 0 343.358 3.366 10 5 EGBERN CC[C@@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000732202112 575244331 /nfs/dbraw/zinc/24/43/31/575244331.db2.gz USHAOGXDPGVUAN-SFHVURJKSA-N 0 0 346.358 3.302 10 5 EGBERN C[C@@H](CCCOCc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000732508728 575273112 /nfs/dbraw/zinc/27/31/12/575273112.db2.gz GJZOPOZDQKQKKE-AWEZNQCLSA-N 0 0 346.383 3.476 10 5 EGBERN COc1cccc(C(=O)COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000736866106 576051979 /nfs/dbraw/zinc/05/19/79/576051979.db2.gz JXVBCGBUFZCQBE-UHFFFAOYSA-N 0 0 349.726 3.297 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccccc1SCCO ZINC000740967624 576642055 /nfs/dbraw/zinc/64/20/55/576642055.db2.gz HGVGKNBTLIREFG-UHFFFAOYSA-N 0 0 339.394 3.098 10 5 EGBERN COc1cc(N2CCC(OC(=O)/C=C\C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000744173332 576822306 /nfs/dbraw/zinc/82/23/06/576822306.db2.gz CVFLWZCFFFXXFK-DAXSKMNVSA-N 0 0 346.383 3.082 10 5 EGBERN CC(=O)c1ccc(O)c(CCOC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000744915351 576836898 /nfs/dbraw/zinc/83/68/98/576836898.db2.gz JXWZCSAUIBKMFG-UHFFFAOYSA-N 0 0 343.335 3.211 10 5 EGBERN C[C@H](OC(=O)/C=C/C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000745551680 576849861 /nfs/dbraw/zinc/84/98/61/576849861.db2.gz DJNUWBZNHPGXHP-IYNCYZAOSA-N 0 0 338.747 3.085 10 5 EGBERN C[C@H](OC(=O)/C=C\C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000745551389 576849899 /nfs/dbraw/zinc/84/98/99/576849899.db2.gz MBBTXNAFXFFXIJ-WYDVEAGSSA-N 0 0 338.747 3.085 10 5 EGBERN CCC(F)(F)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000697951732 1298166771 /nfs/dbraw/zinc/16/67/71/1298166771.db2.gz JWUPMZRXVBFKLB-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000095451962 1292945509 /nfs/dbraw/zinc/94/55/09/1292945509.db2.gz LKDSJAOXZLSQIX-MDZDMXLPSA-N 0 0 348.399 3.187 10 5 EGBERN Cc1c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cccc1N(C)C ZINC000124504175 1293477453 /nfs/dbraw/zinc/47/74/53/1293477453.db2.gz CLFQSJXXHDWFCY-UHFFFAOYSA-N 0 0 335.310 3.500 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2cccnc2)on1 ZINC000132522838 1293721712 /nfs/dbraw/zinc/72/17/12/1293721712.db2.gz GYGKIYZQQTYMAS-UHFFFAOYSA-N 0 0 329.243 3.003 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000152403619 1293967238 /nfs/dbraw/zinc/96/72/38/1293967238.db2.gz REPKKSVNBGZYJZ-NSHDSACASA-N 0 0 332.331 3.143 10 5 EGBERN O=C(NC[C@H](CO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176789287 1294631551 /nfs/dbraw/zinc/63/15/51/1294631551.db2.gz WXVMNVLAIIUDDW-GFCCVEGCSA-N 0 0 349.774 3.146 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(Cc2ccc(O)cc2)CC1 ZINC000869920814 1295537100 /nfs/dbraw/zinc/53/71/00/1295537100.db2.gz NXTPJSKTJSYLJO-UHFFFAOYSA-N 0 0 327.336 3.367 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000869929123 1295543215 /nfs/dbraw/zinc/54/32/15/1295543215.db2.gz RWROCSBCNQSGRU-UPTPFMHGSA-N 0 0 349.383 3.112 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869934608 1295547170 /nfs/dbraw/zinc/54/71/70/1295547170.db2.gz XUNJUVODODDSNA-UYJPIKCFSA-N 0 0 339.775 3.497 10 5 EGBERN CC(C)(C(=O)OCCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000870491533 1295901842 /nfs/dbraw/zinc/90/18/42/1295901842.db2.gz LTGJIAUCTFOQGR-UHFFFAOYSA-N 0 0 339.241 3.091 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000870503006 1295909462 /nfs/dbraw/zinc/90/94/62/1295909462.db2.gz BGMZRRDGNYXEBR-XJKSGUPXSA-N 0 0 346.408 3.303 10 5 EGBERN CS[C@H]1C[C@@H](OC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000870579093 1295954262 /nfs/dbraw/zinc/95/42/62/1295954262.db2.gz DNLLQCWOCKPUSH-DTORHVGOSA-N 0 0 333.312 3.247 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000870727521 1296045868 /nfs/dbraw/zinc/04/58/68/1296045868.db2.gz JATBRBDYXRPLHK-ONGXEEELSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1ccc(SCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870827289 1296105023 /nfs/dbraw/zinc/10/50/23/1296105023.db2.gz XFRSUPCROPQCEE-UHFFFAOYSA-N 0 0 347.396 3.139 10 5 EGBERN Cc1cccc(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000870828427 1296105896 /nfs/dbraw/zinc/10/58/96/1296105896.db2.gz QPAHMFOUMJIZPQ-UHFFFAOYSA-N 0 0 349.774 3.243 10 5 EGBERN C[C@@H](Cc1cccc(F)c1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830252 1296107741 /nfs/dbraw/zinc/10/77/41/1296107741.db2.gz YIKKZHDTUBRKDB-WJFWJRBTSA-N 0 0 347.346 3.056 10 5 EGBERN CCC[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000230800583 1296168058 /nfs/dbraw/zinc/16/80/58/1296168058.db2.gz LVSQZCDXYXQBNZ-LLVKDONJSA-N 0 0 346.177 3.468 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000871120128 1296233059 /nfs/dbraw/zinc/23/30/59/1296233059.db2.gz KSJFWCXEZFPZGT-UKRRQHHQSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871306244 1296335830 /nfs/dbraw/zinc/33/58/30/1296335830.db2.gz HADCPHABKXFFTJ-ABAIWWIYSA-N 0 0 338.791 3.183 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000871309740 1296338797 /nfs/dbraw/zinc/33/87/97/1296338797.db2.gz JSFIZUWIUJITHM-RHSMWYFYSA-N 0 0 332.400 3.147 10 5 EGBERN CC1(C)CCc2onc(COc3cc(C=O)ccc3[N+](=O)[O-])c2C1 ZINC000871651634 1296468757 /nfs/dbraw/zinc/46/87/57/1296468757.db2.gz JJQSVLMDTKQUGG-UHFFFAOYSA-N 0 0 330.340 3.489 10 5 EGBERN CC1(C)CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1=O ZINC000871694421 1296485536 /nfs/dbraw/zinc/48/55/36/1296485536.db2.gz LKKIXRZFFISIPN-MRVPVSSYSA-N 0 0 343.177 3.279 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ncnc2c1ncn2C ZINC000871700976 1296488243 /nfs/dbraw/zinc/48/82/43/1296488243.db2.gz SYWCZHANGXTBAS-SNVBAGLBSA-N 0 0 329.385 3.433 10 5 EGBERN C[C@H](SCc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000871715063 1296497467 /nfs/dbraw/zinc/49/74/67/1296497467.db2.gz ACIRXDYEBYVVRX-STQMWFEESA-N 0 0 348.428 3.217 10 5 EGBERN COc1cccc(/C(C)=C\C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000255121300 1296500725 /nfs/dbraw/zinc/50/07/25/1296500725.db2.gz KCDAOONAXBBCDY-LCYFTJDESA-N 0 0 326.352 3.323 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1cccc2c1OCCCO2 ZINC000871863440 1296577120 /nfs/dbraw/zinc/57/71/20/1296577120.db2.gz MLXHKTRPLOPABI-UHFFFAOYSA-N 0 0 330.340 3.377 10 5 EGBERN C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047417 1296698433 /nfs/dbraw/zinc/69/84/33/1296698433.db2.gz BNOSHUGGKZZFFS-IUODEOHRSA-N 0 0 349.406 3.318 10 5 EGBERN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083214 1296724334 /nfs/dbraw/zinc/72/43/34/1296724334.db2.gz IXLAUMMLDKQIPW-ABAIWWIYSA-N 0 0 343.358 3.338 10 5 EGBERN CCC1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1 ZINC000312217321 1297114590 /nfs/dbraw/zinc/11/45/90/1297114590.db2.gz XFMQLRPCCPSLBK-UHFFFAOYSA-N 0 0 342.193 3.062 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000873499814 1297546061 /nfs/dbraw/zinc/54/60/61/1297546061.db2.gz HDCSOGJXCOCTFI-ZLIFDBKOSA-N 0 0 335.356 3.132 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000873571020 1297593776 /nfs/dbraw/zinc/59/37/76/1297593776.db2.gz QBNBNDKCVUHDEK-DOMZBBRYSA-N 0 0 337.372 3.354 10 5 EGBERN CN(CC(=O)O[C@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000873578957 1297605131 /nfs/dbraw/zinc/60/51/31/1297605131.db2.gz XFFCYMRSBJIPBL-AWEZNQCLSA-N 0 0 348.399 3.066 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncsc1Br ZINC000699036349 1298169171 /nfs/dbraw/zinc/16/91/71/1298169171.db2.gz KPPWAFAGACFJOZ-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN CC(=O)c1c(N[C@H]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000882110340 1301832257 /nfs/dbraw/zinc/83/22/57/1301832257.db2.gz JIFZQJQOFONVDO-LRDDRELGSA-N 0 0 336.413 3.264 10 5 EGBERN CC(=O)c1c(N(C)CC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000882585498 1302028942 /nfs/dbraw/zinc/02/89/42/1302028942.db2.gz WMXSEGAWKYBSLR-UHFFFAOYSA-N 0 0 347.415 3.025 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000885485445 1303160985 /nfs/dbraw/zinc/16/09/85/1303160985.db2.gz FXISDBADUAHCTH-OWLYRPNTSA-N 0 0 344.411 3.020 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000887126750 1303683452 /nfs/dbraw/zinc/68/34/52/1303683452.db2.gz WEMYUGDXJBZPFP-SCLBCKFNSA-N 0 0 330.384 3.160 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888827885 1304293196 /nfs/dbraw/zinc/29/31/96/1304293196.db2.gz KFGJXPOTLKAKTH-SGTLLEGYSA-N 0 0 341.342 3.280 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)C1CCCC1 ZINC000889112590 1304389238 /nfs/dbraw/zinc/38/92/38/1304389238.db2.gz CMGYPDKIHOIYRC-UJGDBWEASA-N 0 0 332.400 3.056 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(F)(F)F)CC2)c1C ZINC000893230417 1305774600 /nfs/dbraw/zinc/77/46/00/1305774600.db2.gz MJOLLHCPUWTWLC-LBPRGKRZSA-N 0 0 346.305 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnn2C(F)F)c1C ZINC000893299416 1305813115 /nfs/dbraw/zinc/81/31/15/1305813115.db2.gz HQPAMFGPMMLUBR-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN CC(C)(CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000893304877 1305816622 /nfs/dbraw/zinc/81/66/22/1305816622.db2.gz IXRHTKCHYGRUEE-UHFFFAOYSA-N 0 0 349.309 3.407 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2nccs2)C1 ZINC000893527788 1305950396 /nfs/dbraw/zinc/95/03/96/1305950396.db2.gz HAEXWWMTRYSHJH-VUUYWXRKSA-N 0 0 329.381 3.081 10 5 EGBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1(C2CC2)CC1 ZINC000893617894 1305990206 /nfs/dbraw/zinc/99/02/06/1305990206.db2.gz KKMOSYDJRHOMJL-UHFFFAOYSA-N 0 0 339.189 3.164 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC1CC(COC)C1 ZINC000893638858 1305998951 /nfs/dbraw/zinc/99/89/51/1305998951.db2.gz FLOZUNQUKMPOLV-UHFFFAOYSA-N 0 0 325.386 3.289 10 5 EGBERN Cc1coc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000893752674 1306065453 /nfs/dbraw/zinc/06/54/53/1306065453.db2.gz HQYLSLWCIPFGBA-UHFFFAOYSA-N 0 0 344.367 3.456 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893885924 1306113431 /nfs/dbraw/zinc/11/34/31/1306113431.db2.gz HQIOVAYNUWQGHG-SNVBAGLBSA-N 0 0 328.372 3.013 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894281258 1306318797 /nfs/dbraw/zinc/31/87/97/1306318797.db2.gz SPUKOSIWJPNXSA-JTQLQIEISA-N 0 0 347.396 3.257 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000894492351 1308920263 /nfs/dbraw/zinc/92/02/63/1308920263.db2.gz BSCSPSNNKGYAJU-MRXNPFEDSA-N 0 0 346.427 3.338 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000894530950 1308940507 /nfs/dbraw/zinc/94/05/07/1308940507.db2.gz QKOMATSOHZDOFD-GFCCVEGCSA-N 0 0 338.791 3.327 10 5 EGBERN COc1cccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894654163 1309005813 /nfs/dbraw/zinc/00/58/13/1309005813.db2.gz BFBQXOVRYJEHKP-QGZVFWFLSA-N 0 0 348.399 3.073 10 5 EGBERN COc1cc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000894664367 1309011075 /nfs/dbraw/zinc/01/10/75/1309011075.db2.gz REBCNTXOKNHXNP-QGZVFWFLSA-N 0 0 348.399 3.073 10 5 EGBERN COC(=O)C[C@H](NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CCCC1 ZINC000894814171 1309083883 /nfs/dbraw/zinc/08/38/83/1309083883.db2.gz UVDKWQNEYVXPHP-AWEZNQCLSA-N 0 0 348.399 3.063 10 5 EGBERN C[C@H](CNC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000895397030 1309316374 /nfs/dbraw/zinc/31/63/74/1309316374.db2.gz VABUCSIVJNXICO-MRVWCRGKSA-N 0 0 329.356 3.147 10 5 EGBERN CC(=O)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000895596980 1309422037 /nfs/dbraw/zinc/42/20/37/1309422037.db2.gz JLMDMDBEAUIJKZ-GFCCVEGCSA-N 0 0 334.319 3.282 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000897540775 1310370740 /nfs/dbraw/zinc/37/07/40/1310370740.db2.gz CBQPMNBWZKVCPO-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000897568243 1310384965 /nfs/dbraw/zinc/38/49/65/1310384965.db2.gz RBZMZSTURNRQAD-CVEARBPZSA-N 0 0 332.400 3.440 10 5 EGBERN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCC1 ZINC000857600678 1328560259 /nfs/dbraw/zinc/56/02/59/1328560259.db2.gz UESLRLYQFDZFIR-GFCCVEGCSA-N 0 0 343.177 3.111 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000857600761 1328560398 /nfs/dbraw/zinc/56/03/98/1328560398.db2.gz VQETUMGUTBKOBW-BRPSZJMVSA-N 0 0 325.162 3.342 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929324020 1328567880 /nfs/dbraw/zinc/56/78/80/1328567880.db2.gz UTKJTXCSYPBBHT-SJORKVTESA-N 0 0 328.343 3.496 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1coc(C2CCCC2)n1 ZINC000857637128 1328571236 /nfs/dbraw/zinc/57/12/36/1328571236.db2.gz VNJKYHIAOXLMPK-UHFFFAOYSA-N 0 0 347.283 3.368 10 5 EGBERN Cc1ncccc1[C@H](C)OC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000857664591 1328579128 /nfs/dbraw/zinc/57/91/28/1328579128.db2.gz GJPRVQXAIBUTCC-JTQLQIEISA-N 0 0 336.294 3.423 10 5 EGBERN CCNc1ccc(C(=O)NCC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857688866 1328584816 /nfs/dbraw/zinc/58/48/16/1328584816.db2.gz QTBRXJHMLVRTCR-SNVBAGLBSA-N 0 0 346.214 3.340 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000857741551 1328594030 /nfs/dbraw/zinc/59/40/30/1328594030.db2.gz GZKZWVQANQVAPU-ZDUSSCGKSA-N 0 0 327.331 3.121 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCCOCC1CC1 ZINC000929431430 1328596576 /nfs/dbraw/zinc/59/65/76/1328596576.db2.gz BMDHSTKAQMJBPS-UHFFFAOYSA-N 0 0 340.807 3.114 10 5 EGBERN COc1cc(N2CCc3nc(C(C)C)ncc3C2)c([N+](=O)[O-])cc1C ZINC000857873962 1328612126 /nfs/dbraw/zinc/61/21/26/1328612126.db2.gz HONBHOTZHUYBOO-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN CC(=O)c1ccc(N2CCc3nc(C(C)C)ncc3C2)c([N+](=O)[O-])c1 ZINC000857874478 1328612132 /nfs/dbraw/zinc/61/21/32/1328612132.db2.gz RRINLTLEGQAYLQ-UHFFFAOYSA-N 0 0 340.383 3.274 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCc3cccnc32)cc1Cl ZINC000857970197 1328644325 /nfs/dbraw/zinc/64/43/25/1328644325.db2.gz OSIAEKOWFKBTLL-LBPRGKRZSA-N 0 0 345.786 3.411 10 5 EGBERN CCn1ncc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000858206433 1328710795 /nfs/dbraw/zinc/71/07/95/1328710795.db2.gz MOTPBHBGWGRWKD-UHFFFAOYSA-N 0 0 343.412 3.225 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000929909401 1328737247 /nfs/dbraw/zinc/73/72/47/1328737247.db2.gz SVJXCXCJFWJSBY-CQSZACIVSA-N 0 0 348.790 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H](C(F)F)C2)c1 ZINC000930126685 1328791881 /nfs/dbraw/zinc/79/18/81/1328791881.db2.gz PIYJTJQSDHHPIE-QMMMGPOBSA-N 0 0 335.148 3.444 10 5 EGBERN CN(OCC(F)(F)F)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913355842 1319012021 /nfs/dbraw/zinc/01/20/21/1319012021.db2.gz CRLOJJVDHKITGV-UHFFFAOYSA-N 0 0 340.685 3.133 10 5 EGBERN CO[C@H](CC(C)C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386173 1319021115 /nfs/dbraw/zinc/02/11/15/1319021115.db2.gz PHRPPCCXRFCNOK-GFCCVEGCSA-N 0 0 332.759 3.065 10 5 EGBERN CC1(C)CO[C@@H](CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386923 1319021354 /nfs/dbraw/zinc/02/13/54/1319021354.db2.gz KQFOVABIOQVDNQ-JTQLQIEISA-N 0 0 344.770 3.209 10 5 EGBERN CC(C)(C)OC1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913777260 1319123618 /nfs/dbraw/zinc/12/36/18/1319123618.db2.gz HLEGHRBLVNDYNM-UHFFFAOYSA-N 0 0 330.743 3.027 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](n1cccn1)C(F)(F)F ZINC000858655581 1328819469 /nfs/dbraw/zinc/81/94/69/1328819469.db2.gz HHHFQXRBMPHERF-CYBMUJFWSA-N 0 0 342.277 3.209 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000915097988 1319422152 /nfs/dbraw/zinc/42/21/52/1319422152.db2.gz MMMNZKIZQVGRQO-NVXWUHKLSA-N 0 0 329.400 3.315 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1ccnn1C ZINC000930318009 1328832168 /nfs/dbraw/zinc/83/21/68/1328832168.db2.gz ZJFHXJRHWWUWIG-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000858691349 1328832512 /nfs/dbraw/zinc/83/25/12/1328832512.db2.gz GCLLAAHDTYIGBA-GFCCVEGCSA-N 0 0 334.372 3.446 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000858716490 1328837320 /nfs/dbraw/zinc/83/73/20/1328837320.db2.gz OSGNNWWFKSLXDO-GOSISDBHSA-N 0 0 346.358 3.231 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Oc1c(F)c(F)cc(F)c1F ZINC000916867729 1319717335 /nfs/dbraw/zinc/71/73/35/1319717335.db2.gz DHEMCEVCSCTMLE-UHFFFAOYSA-N 0 0 329.205 3.299 10 5 EGBERN C[C@@]1(Br)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000858750247 1328851112 /nfs/dbraw/zinc/85/11/12/1328851112.db2.gz QAJBAVRCCVXRMC-GPXNAGAYSA-N 0 0 330.163 3.347 10 5 EGBERN C[C@]1(Br)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000858750248 1328851371 /nfs/dbraw/zinc/85/13/71/1328851371.db2.gz QAJBAVRCCVXRMC-RRAGMBSWSA-N 0 0 330.163 3.347 10 5 EGBERN CCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858764906 1328856147 /nfs/dbraw/zinc/85/61/47/1328856147.db2.gz WMSGWWQZZLFOBY-HNNXBMFYSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1C(=O)OC(C)(C)C ZINC000858780289 1328859744 /nfs/dbraw/zinc/85/97/44/1328859744.db2.gz MHRVJMRBLXFJJL-AAEUAGOBSA-N 0 0 336.392 3.190 10 5 EGBERN CSc1ccc(C(=O)OCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000918517064 1319965658 /nfs/dbraw/zinc/96/56/58/1319965658.db2.gz SYBWFZKCYNAAPA-UHFFFAOYSA-N 0 0 325.386 3.433 10 5 EGBERN CC(C)n1ccnc1C(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000918658321 1319984048 /nfs/dbraw/zinc/98/40/48/1319984048.db2.gz JMQHKEMJSXINRT-UHFFFAOYSA-N 0 0 341.726 3.426 10 5 EGBERN Cc1cc(NC(=O)NC2CC3(C2)COC(C)(C)C3)ccc1[N+](=O)[O-] ZINC000930732609 1328952636 /nfs/dbraw/zinc/95/26/36/1328952636.db2.gz OUGPSPZRAFHBPU-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1c(CN(C)c2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000859382292 1328980366 /nfs/dbraw/zinc/98/03/66/1328980366.db2.gz QCYAOPDNRONEDC-UHFFFAOYSA-N 0 0 341.411 3.376 10 5 EGBERN CCC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000919032957 1322021883 /nfs/dbraw/zinc/02/18/83/1322021883.db2.gz NAGSFNROZSNBQB-CHWSQXEVSA-N 0 0 348.399 3.356 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc(F)cc2nccnc21 ZINC000919593229 1322083916 /nfs/dbraw/zinc/08/39/16/1322083916.db2.gz IADKQIWVXWJSTN-UHFFFAOYSA-N 0 0 333.300 3.096 10 5 EGBERN CCc1noc(C)c1Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC000920410512 1322174189 /nfs/dbraw/zinc/17/41/89/1322174189.db2.gz BSODREMCDNRWGX-UHFFFAOYSA-N 0 0 347.762 3.414 10 5 EGBERN O=C(CNc1cc([N+](=O)[O-])ccc1F)N[C@H]1CCCc2ccccc21 ZINC000921059342 1322250662 /nfs/dbraw/zinc/25/06/62/1322250662.db2.gz VEAFLYLTOQSJIT-INIZCTEOSA-N 0 0 343.358 3.340 10 5 EGBERN CC1(C)C[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000921680603 1322377140 /nfs/dbraw/zinc/37/71/40/1322377140.db2.gz KIPCVWYGORWPBQ-CQSZACIVSA-N 0 0 349.431 3.030 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000922132199 1322462554 /nfs/dbraw/zinc/46/25/54/1322462554.db2.gz UPDVPSGDMNUKLO-BXKDBHETSA-N 0 0 344.770 3.322 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922396177 1322519291 /nfs/dbraw/zinc/51/92/91/1322519291.db2.gz WCDKSNUQMSWXHL-CMPLNLGQSA-N 0 0 333.262 3.170 10 5 EGBERN CCO[C@@H](COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000859626540 1329038189 /nfs/dbraw/zinc/03/81/89/1329038189.db2.gz MBNBBPARUQINCT-ZDUSSCGKSA-N 0 0 345.298 3.168 10 5 EGBERN C[C@@H](NC(=O)NC[C@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000923171367 1322704471 /nfs/dbraw/zinc/70/44/71/1322704471.db2.gz GVXGTMHPXOUTEF-QWHCGFSZSA-N 0 0 328.372 3.154 10 5 EGBERN CCCCS[C@@H](C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859663639 1329048924 /nfs/dbraw/zinc/04/89/24/1329048924.db2.gz QSVPMGMGIBLJKQ-JTQLQIEISA-N 0 0 343.376 3.382 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCc1csc([N+](=O)[O-])c1 ZINC000923720527 1322796316 /nfs/dbraw/zinc/79/63/16/1322796316.db2.gz DTQYSDWBMQAVAP-DTWKUNHWSA-N 0 0 339.291 3.200 10 5 EGBERN Cc1cc(Cc2noc([C@]34CCO[C@@H]3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000923945380 1322852691 /nfs/dbraw/zinc/85/26/91/1322852691.db2.gz GGEREPJOZODVQG-CRAIPNDOSA-N 0 0 343.383 3.478 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCO[C@@H]1CC1(F)F ZINC000923963557 1322857545 /nfs/dbraw/zinc/85/75/45/1322857545.db2.gz URTZUVRHPOPLSZ-GFCCVEGCSA-N 0 0 349.717 3.148 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@H]1CCCC1=O ZINC000923968079 1322859371 /nfs/dbraw/zinc/85/93/71/1322859371.db2.gz WDXBHHJLPYMKOI-LLVKDONJSA-N 0 0 339.775 3.483 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000924024661 1322877337 /nfs/dbraw/zinc/87/73/37/1322877337.db2.gz NVTBYLXBBHJSCG-VMGRFDJRSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@]1(C(=O)OCc2csc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000924418990 1323016536 /nfs/dbraw/zinc/01/65/36/1323016536.db2.gz KOLQCUWMLSTREM-INIZCTEOSA-N 0 0 333.365 3.440 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000931262088 1329080877 /nfs/dbraw/zinc/08/08/77/1329080877.db2.gz LYSQQRQQUYPTII-WCBMZHEXSA-N 0 0 347.293 3.313 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccoc2)C1 ZINC000931262047 1329080879 /nfs/dbraw/zinc/08/08/79/1329080879.db2.gz KXHZMSXNYHGIRW-UHFFFAOYSA-N 0 0 345.355 3.293 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCSC[C@@H]1C ZINC000931262233 1329081380 /nfs/dbraw/zinc/08/13/80/1329081380.db2.gz OVRHXTNBBMBXAC-NSHDSACASA-N 0 0 339.417 3.353 10 5 EGBERN CCOC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859840414 1329093603 /nfs/dbraw/zinc/09/36/03/1329093603.db2.gz ZNSMXTFVQZRMJV-ZDUSSCGKSA-N 0 0 328.368 3.247 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1COc2cc(F)ccc2C1 ZINC000859857462 1329098465 /nfs/dbraw/zinc/09/84/65/1329098465.db2.gz FMJGIIXSUVHCMC-NSHDSACASA-N 0 0 337.328 3.090 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000860117074 1329151018 /nfs/dbraw/zinc/15/10/18/1329151018.db2.gz FOSOXMDAZIDUQN-BXKDBHETSA-N 0 0 348.580 3.465 10 5 EGBERN C[C@H](OC(=O)[C@@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000860120472 1329152239 /nfs/dbraw/zinc/15/22/39/1329152239.db2.gz SSVBCWFFHHWQCX-FWDPORAESA-N 0 0 328.162 3.373 10 5 EGBERN Cc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000860252579 1329182829 /nfs/dbraw/zinc/18/28/29/1329182829.db2.gz BGPXZIXZSVLPGR-HNNXBMFYSA-N 0 0 344.367 3.332 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000925495245 1325176631 /nfs/dbraw/zinc/17/66/31/1325176631.db2.gz MLUZGDXYKMCHEI-ZDUSSCGKSA-N 0 0 337.420 3.328 10 5 EGBERN COc1cc(C(=O)N=[S@](C)(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000926011900 1325389313 /nfs/dbraw/zinc/38/93/13/1325389313.db2.gz LBSXYFZSUHUTAJ-HSZRJFAPSA-N 0 0 340.401 3.174 10 5 EGBERN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccnnc1 ZINC000926301318 1325508028 /nfs/dbraw/zinc/50/80/28/1325508028.db2.gz FYOCJZYEZNXMAY-VIFPVBQESA-N 0 0 326.278 3.254 10 5 EGBERN CC(C)(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860303004 1329302888 /nfs/dbraw/zinc/30/28/88/1329302888.db2.gz WZGJVZHALAIMCQ-ZDUSSCGKSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000860338895 1329306815 /nfs/dbraw/zinc/30/68/15/1329306815.db2.gz LZUFHSYPVFFIIF-VXGBXAGGSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000860344746 1329307317 /nfs/dbraw/zinc/30/73/17/1329307317.db2.gz ULTCQJYNIZGKEJ-GJZGRUSLSA-N 0 0 340.379 3.247 10 5 EGBERN CC(C)C(=O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000926884622 1327755885 /nfs/dbraw/zinc/75/58/85/1327755885.db2.gz JWSWZTAXFKWTLE-AWEZNQCLSA-N 0 0 332.381 3.353 10 5 EGBERN C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026786 1327825582 /nfs/dbraw/zinc/82/55/82/1327825582.db2.gz GRGVEDQMAXMISM-INWMFGNUSA-N 0 0 346.456 3.291 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC2(CCC2)O1 ZINC000927156793 1327896966 /nfs/dbraw/zinc/89/69/66/1327896966.db2.gz QRUPSRPQCBBRLM-OAHLLOKOSA-N 0 0 347.415 3.228 10 5 EGBERN COc1c(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000927298824 1327962971 /nfs/dbraw/zinc/96/29/71/1327962971.db2.gz JNDSXGAWEPQUPY-KUHUBIRLSA-N 0 0 338.363 3.017 10 5 EGBERN COc1cc(C(=O)NCC2CCC(SC)CC2)ccc1[N+](=O)[O-] ZINC000927392052 1328001755 /nfs/dbraw/zinc/00/17/55/1328001755.db2.gz MIAUBMNOQMRDNI-UHFFFAOYSA-N 0 0 338.429 3.255 10 5 EGBERN CSC1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000927393245 1328002150 /nfs/dbraw/zinc/00/21/50/1328002150.db2.gz PTWVPTGBEABVDP-UHFFFAOYSA-N 0 0 338.429 3.012 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1OC ZINC000927495939 1328043562 /nfs/dbraw/zinc/04/35/62/1328043562.db2.gz YCWGWNZQIPIRIM-AVGNSLFASA-N 0 0 348.399 3.168 10 5 EGBERN Cc1sc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cc1[N+](=O)[O-] ZINC000928074973 1328189113 /nfs/dbraw/zinc/18/91/13/1328189113.db2.gz VLEHFAGCRVMDNQ-HZMBPMFUSA-N 0 0 336.344 3.166 10 5 EGBERN Cc1c(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000928141229 1328214373 /nfs/dbraw/zinc/21/43/73/1328214373.db2.gz MIRXBQFPWGXLOC-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cc([N+](=O)[O-])c1 ZINC000928273598 1328269961 /nfs/dbraw/zinc/26/99/61/1328269961.db2.gz IGLMVWOCASHTDW-CYBMUJFWSA-N 0 0 345.424 3.455 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000861360335 1329412715 /nfs/dbraw/zinc/41/27/15/1329412715.db2.gz QHZBNHYJYWMBBC-MRXNPFEDSA-N 0 0 332.335 3.499 10 5 EGBERN C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861444008 1329418476 /nfs/dbraw/zinc/41/84/76/1329418476.db2.gz SKJHUPBAAHCRKS-GOSISDBHSA-N 0 0 328.368 3.125 10 5 EGBERN CCn1nccc1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445526 1329418722 /nfs/dbraw/zinc/41/87/22/1329418722.db2.gz JWQAMWCKTLESKL-GFCCVEGCSA-N 0 0 343.261 3.272 10 5 EGBERN Cc1c(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cnn1C ZINC000861445309 1329418777 /nfs/dbraw/zinc/41/87/77/1329418777.db2.gz ZZECRVBEKDPGPS-LBPRGKRZSA-N 0 0 343.261 3.097 10 5 EGBERN CCCN1C(=O)N(C[C@@H](C)c2ccccc2[N+](=O)[O-])C(=O)[C@H]1CC ZINC000929006486 1328487731 /nfs/dbraw/zinc/48/77/31/1328487731.db2.gz UJUZSZREWZLQMQ-TZMCWYRMSA-N 0 0 333.388 3.151 10 5 EGBERN CCC(CC)(CCO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861556736 1329425923 /nfs/dbraw/zinc/42/59/23/1329425923.db2.gz GEESIDHRFFMHLG-UHFFFAOYSA-N 0 0 330.384 3.419 10 5 EGBERN CC(C)(NC(=O)[C@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000861814687 1329442928 /nfs/dbraw/zinc/44/29/28/1329442928.db2.gz TYLPTUJHGLGXRO-QMTHXVAHSA-N 0 0 341.205 3.120 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862121289 1329460228 /nfs/dbraw/zinc/46/02/28/1329460228.db2.gz GPFDMDQPWOZYFT-SJKOYZFVSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(c2ccon2)CC1 ZINC000862222760 1329467396 /nfs/dbraw/zinc/46/73/96/1329467396.db2.gz BAHNPGZQNGLNPK-UHFFFAOYSA-N 0 0 335.747 3.256 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CO2 ZINC000862533143 1329493334 /nfs/dbraw/zinc/49/33/34/1329493334.db2.gz NXBRLOZGWWKSAL-ZDUSSCGKSA-N 0 0 344.342 3.084 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000862772537 1329507711 /nfs/dbraw/zinc/50/77/11/1329507711.db2.gz HILNWDCJDLIGFP-JLHYYAGUSA-N 0 0 330.384 3.216 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000862897781 1329518007 /nfs/dbraw/zinc/51/80/07/1329518007.db2.gz DMLUFTQDMPMABW-CTYIDZIISA-N 0 0 349.431 3.281 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OC(C)(C)CC3)n1 ZINC000863047083 1329525958 /nfs/dbraw/zinc/52/59/58/1329525958.db2.gz QIEYMKVVZIXJOE-UHFFFAOYSA-N 0 0 344.371 3.167 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863813490 1329583364 /nfs/dbraw/zinc/58/33/64/1329583364.db2.gz IYUCSTDKGVYBJA-HSWBROFVSA-N 0 0 342.399 3.149 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000864673124 1329637342 /nfs/dbraw/zinc/63/73/42/1329637342.db2.gz ATONUVXDSGQTBM-SNVBAGLBSA-N 0 0 334.269 3.077 10 5 EGBERN CCC[C@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864692050 1329638429 /nfs/dbraw/zinc/63/84/29/1329638429.db2.gz DESLWDNDTAQITM-VIFPVBQESA-N 0 0 329.194 3.205 10 5 EGBERN Cc1csc2nc(CC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn12 ZINC000864932342 1329652933 /nfs/dbraw/zinc/65/29/33/1329652933.db2.gz YDWYXCVDFTZFHS-LLVKDONJSA-N 0 0 344.396 3.032 10 5 EGBERN CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864999940 1329660251 /nfs/dbraw/zinc/66/02/51/1329660251.db2.gz FAXLWTRSPZWAQO-VHSXEESVSA-N 0 0 343.221 3.451 10 5 EGBERN CCC[C@@H](O)CCCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000865381512 1329690360 /nfs/dbraw/zinc/69/03/60/1329690360.db2.gz KUHLADBMMBDGMY-OAHLLOKOSA-N 0 0 340.445 3.232 10 5 EGBERN Cc1ccc(N2CCCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000865455951 1329699618 /nfs/dbraw/zinc/69/96/18/1329699618.db2.gz QFEUGWWAFKLMGL-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865505990 1329706535 /nfs/dbraw/zinc/70/65/35/1329706535.db2.gz OJDMNFWGNIAFIP-OAHLLOKOSA-N 0 0 332.331 3.389 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2C(F)F)n1 ZINC000865581014 1329716203 /nfs/dbraw/zinc/71/62/03/1329716203.db2.gz HSDQUHOMRFXAHZ-QMMMGPOBSA-N 0 0 342.302 3.259 10 5 EGBERN O=C(C1CC1)[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000865684244 1329729131 /nfs/dbraw/zinc/72/91/31/1329729131.db2.gz RVLMLTKKYQFVBQ-NSHDSACASA-N 0 0 345.182 3.086 10 5 EGBERN CN(CCCCO)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000865719252 1329732374 /nfs/dbraw/zinc/73/23/74/1329732374.db2.gz RQGCKDCTRZQNQI-UHFFFAOYSA-N 0 0 328.368 3.035 10 5 EGBERN Cn1cnc(CCCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n1 ZINC000865900047 1329750458 /nfs/dbraw/zinc/75/04/58/1329750458.db2.gz TVPHCEPOXWUQKJ-UHFFFAOYSA-N 0 0 330.175 3.075 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000865904717 1329750665 /nfs/dbraw/zinc/75/06/65/1329750665.db2.gz RFQXFBDFTMYBFF-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCCS1 ZINC000866093390 1330064914 /nfs/dbraw/zinc/06/49/14/1330064914.db2.gz FWRNJCUTZGHGDV-GFCCVEGCSA-N 0 0 337.401 3.249 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC[C@@H]2CCCS2)c([N+](=O)[O-])c1 ZINC000866093690 1330064933 /nfs/dbraw/zinc/06/49/33/1330064933.db2.gz JGSUPRXTRSFWND-ZDUSSCGKSA-N 0 0 335.429 3.185 10 5 EGBERN CCC(CC)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C(F)(F)F ZINC000866134523 1330069017 /nfs/dbraw/zinc/06/90/17/1330069017.db2.gz XZTVLAQCNPLSEF-UHFFFAOYSA-N 0 0 333.310 3.474 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H]2CC3(CO2)CCOCC3)ccc2ncccc21 ZINC000866174686 1330073424 /nfs/dbraw/zinc/07/34/24/1330073424.db2.gz FENGIBQAUZVANN-CYBMUJFWSA-N 0 0 343.383 3.141 10 5 EGBERN CCCNC(=O)c1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000866182455 1330074556 /nfs/dbraw/zinc/07/45/56/1330074556.db2.gz YPFCVIUMOIZNPJ-UHFFFAOYSA-N 0 0 328.372 3.050 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CSC[C@@H]2C1 ZINC000866200213 1330077585 /nfs/dbraw/zinc/07/75/85/1330077585.db2.gz GADCYJWMBQEAFY-NEPJUHHUSA-N 0 0 345.424 3.341 10 5 EGBERN COc1ccccc1[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000866233255 1330081839 /nfs/dbraw/zinc/08/18/39/1330081839.db2.gz KLJIYXMODHNZDC-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN COc1ccccc1[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000866271367 1330088682 /nfs/dbraw/zinc/08/86/82/1330088682.db2.gz JBFGFNCCMYRQGC-CYBMUJFWSA-N 0 0 343.383 3.478 10 5 EGBERN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000867222796 1330186021 /nfs/dbraw/zinc/18/60/21/1330186021.db2.gz YZXXAYMXPMXNSQ-FMTVUPSXSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867509695 1330206720 /nfs/dbraw/zinc/20/67/20/1330206720.db2.gz RBQQFJCRMPXIAZ-GXSJLCMTSA-N 0 0 348.296 3.466 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867509696 1330206722 /nfs/dbraw/zinc/20/67/22/1330206722.db2.gz RBQQFJCRMPXIAZ-KOLCDFICSA-N 0 0 348.296 3.466 10 5 EGBERN Cc1ncc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868933183 1330377404 /nfs/dbraw/zinc/37/74/04/1330377404.db2.gz JZNOCDDGMCPHMC-SNVBAGLBSA-N 0 0 334.401 3.229 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000869054167 1330404188 /nfs/dbraw/zinc/40/41/88/1330404188.db2.gz HZAARRGIKHRCHW-ZYHUDNBSSA-N 0 0 345.321 3.386 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000869055111 1330404465 /nfs/dbraw/zinc/40/44/65/1330404465.db2.gz QMFZQDOUJZTWKO-HOTGVXAUSA-N 0 0 347.415 3.004 10 5 EGBERN CC1(C)CC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869305582 1330458308 /nfs/dbraw/zinc/45/83/08/1330458308.db2.gz QAMHNYHZSQAYLX-UHFFFAOYSA-N 0 0 341.205 3.205 10 5 EGBERN O=C(OC[C@H]1CCC[C@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809773 1330568538 /nfs/dbraw/zinc/56/85/38/1330568538.db2.gz AGXSDHABETXRAC-BBRMVZONSA-N 0 0 333.384 3.111 10 5 EGBERN O=C(CCc1cscn1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001183834615 1387355983 /nfs/dbraw/zinc/35/59/83/1387355983.db2.gz DTZGAFCTYGXCOE-UHFFFAOYSA-N 0 0 328.353 3.171 10 5 EGBERN O=C(Cc1cccnc1Cl)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001183837605 1387357362 /nfs/dbraw/zinc/35/73/62/1387357362.db2.gz ZECLAZRCZMZJIE-UHFFFAOYSA-N 0 0 342.742 3.373 10 5 EGBERN CC(C)c1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C2 ZINC001184482127 1387469169 /nfs/dbraw/zinc/46/91/69/1387469169.db2.gz IOJWHLPUNBMOFY-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN Cc1ccc(OCc2nnc(-c3ccc([N+](=O)[O-])cn3)o2)cc1C ZINC001323873413 1387485570 /nfs/dbraw/zinc/48/55/70/1387485570.db2.gz NUXHFKWIJZMCQY-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCc1ccccc1F ZINC001184572703 1387495994 /nfs/dbraw/zinc/49/59/94/1387495994.db2.gz UNHMQSMETJFBIR-UHFFFAOYSA-N 0 0 329.306 3.498 10 5 EGBERN O=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC001184598579 1387499060 /nfs/dbraw/zinc/49/90/60/1387499060.db2.gz LLPVHXDNEJAURG-UHFFFAOYSA-N 0 0 326.308 3.092 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(Oc2cccc(-c3nnco3)c2)cc1F ZINC001184785689 1387538401 /nfs/dbraw/zinc/53/84/01/1387538401.db2.gz YEXASKYMGXOVEA-UHFFFAOYSA-N 0 0 331.259 3.069 10 5 EGBERN CCOCCOC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001184892906 1387556797 /nfs/dbraw/zinc/55/67/97/1387556797.db2.gz LNBKUTCNGOAEGW-UHFFFAOYSA-N 0 0 345.399 3.165 10 5 EGBERN COC(=O)Cc1ccc(NCCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC001184973692 1387577391 /nfs/dbraw/zinc/57/73/91/1387577391.db2.gz ZACSOKZXUYZZSV-UHFFFAOYSA-N 0 0 344.367 3.110 10 5 EGBERN CN(Cc1cccc(Br)c1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001184992353 1387583231 /nfs/dbraw/zinc/58/32/31/1387583231.db2.gz WUVFLSPTYQPUEM-UHFFFAOYSA-N 0 0 338.161 3.094 10 5 EGBERN COc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1O ZINC001185136889 1387625125 /nfs/dbraw/zinc/62/51/25/1387625125.db2.gz KSZFENDJQLKURL-UHFFFAOYSA-N 0 0 343.261 3.335 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001185685680 1387778504 /nfs/dbraw/zinc/77/85/04/1387778504.db2.gz RFTRYRGCTBFIHI-ZFWWWQNUSA-N 0 0 339.823 3.304 10 5 EGBERN Cc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001186113335 1387873406 /nfs/dbraw/zinc/87/34/06/1387873406.db2.gz SNSZLELXLVNSIY-CYBMUJFWSA-N 0 0 335.404 3.349 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001193129630 1367950275 /nfs/dbraw/zinc/95/02/75/1367950275.db2.gz HKTALOGVRDSZGK-OAHLLOKOSA-N 0 0 347.415 3.357 10 5 EGBERN C[C@H](O)[C@](C)(CNc1c(Cl)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC001186374371 1387930348 /nfs/dbraw/zinc/93/03/48/1387930348.db2.gz ZZPVSCCIRLRCSG-SJCJKPOMSA-N 0 0 349.818 3.107 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@]2(O)CCC[C@@H]2C)cc1C ZINC001186571391 1387971529 /nfs/dbraw/zinc/97/15/29/1387971529.db2.gz JEBCDDZLUNGLOU-YVEFUNNKSA-N 0 0 336.388 3.043 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)Cc2cccc(F)c2)c2ncccc12 ZINC001186571070 1387971572 /nfs/dbraw/zinc/97/15/72/1387971572.db2.gz DALUUALRZZNZEZ-AWEZNQCLSA-N 0 0 341.342 3.298 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@H](OC)C12CCC2 ZINC001186661657 1387995231 /nfs/dbraw/zinc/99/52/31/1387995231.db2.gz GZIXBGKUWLJFOL-CABCVRRESA-N 0 0 334.372 3.059 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3ccsc3)o2)cc([N+](=O)[O-])c1 ZINC001325793359 1388046969 /nfs/dbraw/zinc/04/69/69/1388046969.db2.gz XDPXENHFWNNDRJ-UHFFFAOYSA-N 0 0 332.297 3.205 10 5 EGBERN Cc1cncc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1Cl ZINC001116455164 1370916099 /nfs/dbraw/zinc/91/60/99/1370916099.db2.gz VNQJOMBZEYLPCM-UHFFFAOYSA-N 0 0 347.714 3.450 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CC2(CC2(F)F)C1 ZINC001118501918 1371190735 /nfs/dbraw/zinc/19/07/35/1371190735.db2.gz ZXDDINOPUXDYTD-UHFFFAOYSA-N 0 0 345.733 3.235 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCSC(F)(F)F ZINC001119738846 1371397162 /nfs/dbraw/zinc/39/71/62/1371397162.db2.gz ZOEPEDGLCTVRFL-UHFFFAOYSA-N 0 0 340.298 3.036 10 5 EGBERN COC(=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC001187640127 1388134665 /nfs/dbraw/zinc/13/46/65/1388134665.db2.gz MPXAFOHRTAMOBJ-NXEZZACHSA-N 0 0 346.305 3.249 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001121292965 1371924987 /nfs/dbraw/zinc/92/49/87/1371924987.db2.gz WPPBJQLRGFPSBU-GVDBMIGSSA-N 0 0 346.427 3.362 10 5 EGBERN COC(=O)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCC1 ZINC001187841213 1388175106 /nfs/dbraw/zinc/17/51/06/1388175106.db2.gz IXFHCGMGFBYNCU-GFCCVEGCSA-N 0 0 346.387 3.253 10 5 EGBERN Cc1cccc([C@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC001123115395 1372383626 /nfs/dbraw/zinc/38/36/26/1372383626.db2.gz SSBSXGOHHTVIHA-YGONEPDPSA-N 0 0 329.356 3.150 10 5 EGBERN C[C@@H](CNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1[N+](=O)[O-] ZINC001124055338 1372666551 /nfs/dbraw/zinc/66/65/51/1372666551.db2.gz WDBXSZGKMOACSR-QUJCMNEKSA-N 0 0 344.411 3.210 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001124316867 1372690802 /nfs/dbraw/zinc/69/08/02/1372690802.db2.gz SIWNCRMTIVOPEP-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN COc1ccc2onc(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)c2c1 ZINC001124332226 1372692775 /nfs/dbraw/zinc/69/27/75/1372692775.db2.gz UJJHWWZMIUDPEG-UHFFFAOYSA-N 0 0 345.286 3.065 10 5 EGBERN COc1cccc(OCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001124332507 1372692796 /nfs/dbraw/zinc/69/27/96/1372692796.db2.gz BZPKIODCGNOELJ-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN COc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC001124426938 1372701068 /nfs/dbraw/zinc/70/10/68/1372701068.db2.gz DMCKFMBNIHRHFJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(c1ccc(F)c2ccncc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124547760 1372710491 /nfs/dbraw/zinc/71/04/91/1372710491.db2.gz QZSMYFDDHZICAX-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1-n1cccn1 ZINC001124551474 1372711578 /nfs/dbraw/zinc/71/15/78/1372711578.db2.gz WCPKVBQJLWTZRR-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN CN(C(=O)c1ccc(-c2cnn(C)c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001124622429 1372717084 /nfs/dbraw/zinc/71/70/84/1372717084.db2.gz FXPBXWMTHKVKGL-UHFFFAOYSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2csc3ccccc23)n1 ZINC001125026180 1372747490 /nfs/dbraw/zinc/74/74/90/1372747490.db2.gz HIECHKPGRUAMMW-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1c(F)cccc1F ZINC001125164312 1372757747 /nfs/dbraw/zinc/75/77/47/1372757747.db2.gz PCWIGIAPRFRNJI-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN Cc1c(OC(=O)c2ncc3cc(Cl)ccn32)cccc1[N+](=O)[O-] ZINC001125298111 1372768150 /nfs/dbraw/zinc/76/81/50/1372768150.db2.gz SJSCYZSGIUIMEY-UHFFFAOYSA-N 0 0 331.715 3.424 10 5 EGBERN CCOc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001125538376 1372803200 /nfs/dbraw/zinc/80/32/00/1372803200.db2.gz CEVOPNNIIBWWPO-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)n1 ZINC001125790228 1372857095 /nfs/dbraw/zinc/85/70/95/1372857095.db2.gz HYARRIGLBHGCNT-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(-c2ccncc2)c1 ZINC001125797057 1372858914 /nfs/dbraw/zinc/85/89/14/1372858914.db2.gz ZZDSJWSMGRBGTG-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@]2(C)CC=C(C)CC2)cc([N+](=O)[O-])c1 ZINC001126372516 1372961333 /nfs/dbraw/zinc/96/13/33/1372961333.db2.gz GOUVUOYXTJIDDU-KRWDZBQOSA-N 0 0 332.356 3.456 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccncc2C)cc1[N+](=O)[O-] ZINC001126612439 1372983146 /nfs/dbraw/zinc/98/31/46/1372983146.db2.gz VILNMEJZUMTTRF-UZYOAWRESA-N 0 0 325.368 3.497 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(N2CCCC2)cc1 ZINC001126728893 1373007520 /nfs/dbraw/zinc/00/75/20/1373007520.db2.gz GCWGFKLMWIEZIZ-UHFFFAOYSA-N 0 0 342.351 3.423 10 5 EGBERN Cc1ncccc1/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127205711 1373103234 /nfs/dbraw/zinc/10/32/34/1373103234.db2.gz RHJGBDVMCFLQKS-QPJJXVBHSA-N 0 0 331.759 3.281 10 5 EGBERN COC(=O)c1coc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001127413272 1373125351 /nfs/dbraw/zinc/12/53/51/1373125351.db2.gz RKLJYDKZLMJPKZ-GQCTYLIASA-N 0 0 345.307 3.039 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)[C@H]1OC ZINC001127654290 1373153897 /nfs/dbraw/zinc/15/38/97/1373153897.db2.gz FJSJHYDCVPXOAX-DAXOMENPSA-N 0 0 334.416 3.473 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@H]1C ZINC001127765754 1373176713 /nfs/dbraw/zinc/17/67/13/1373176713.db2.gz HTEGSPFXBNKAPZ-MBNYWOFBSA-N 0 0 344.371 3.157 10 5 EGBERN CC1(C)CCC[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001128173280 1373228616 /nfs/dbraw/zinc/22/86/16/1373228616.db2.gz MZOIWYMBXJXMHR-MLGOLLRUSA-N 0 0 345.399 3.173 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)[nH]n1 ZINC001128191076 1373232740 /nfs/dbraw/zinc/23/27/40/1373232740.db2.gz AMDWIWYFLYRTRI-UHFFFAOYSA-N 0 0 348.384 3.235 10 5 EGBERN Cc1nc(-c2cccc(C(=O)Nc3c([N+](=O)[O-])cnn3C)c2)cs1 ZINC001128321590 1373251269 /nfs/dbraw/zinc/25/12/69/1373251269.db2.gz PHUYNOYKRJDIKK-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CN(C(=O)c1ccc(C(F)F)cc1F)c1ccc([N+](=O)[O-])nc1 ZINC001128454297 1373270914 /nfs/dbraw/zinc/27/09/14/1373270914.db2.gz MYESUXGNZBTHFE-UHFFFAOYSA-N 0 0 325.246 3.343 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cn1 ZINC001128515042 1373280544 /nfs/dbraw/zinc/28/05/44/1373280544.db2.gz LYMGJVFIBYDQOC-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2cccc(C(F)(F)F)c21 ZINC001128778962 1373310617 /nfs/dbraw/zinc/31/06/17/1373310617.db2.gz QLVKKAHVKAKUQL-UHFFFAOYSA-N 0 0 326.230 3.410 10 5 EGBERN CS(C)(=O)=Nc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001128937805 1373326346 /nfs/dbraw/zinc/32/63/46/1373326346.db2.gz QJNFVQDNSDHKHN-UHFFFAOYSA-N 0 0 339.398 3.268 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cn1 ZINC001129018528 1373336458 /nfs/dbraw/zinc/33/64/58/1373336458.db2.gz TVFVLATYUDOVSP-UHFFFAOYSA-N 0 0 341.245 3.007 10 5 EGBERN Cc1ccc(COC(=O)c2ccc(Cn3cccn3)o2)cc1[N+](=O)[O-] ZINC001129136162 1373351077 /nfs/dbraw/zinc/35/10/77/1373351077.db2.gz URXLHCHYKBNMKN-UHFFFAOYSA-N 0 0 341.323 3.098 10 5 EGBERN Cc1csc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC001129171225 1373356537 /nfs/dbraw/zinc/35/65/37/1373356537.db2.gz QCACMJYZMZXGCN-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN CC[C@H](CNc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129205925 1373361636 /nfs/dbraw/zinc/36/16/36/1373361636.db2.gz JCKQXIBPJVBVLZ-LLVKDONJSA-N 0 0 349.337 3.494 10 5 EGBERN CO[C@@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccccc1 ZINC001129214502 1373362087 /nfs/dbraw/zinc/36/20/87/1373362087.db2.gz MSWIEPWTQZXTNN-MRXNPFEDSA-N 0 0 330.315 3.011 10 5 EGBERN CC(=O)c1ccsc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001129235526 1373364408 /nfs/dbraw/zinc/36/44/08/1373364408.db2.gz MWKISIZOULOCRP-UHFFFAOYSA-N 0 0 334.353 3.185 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cn(C)nc1Cl ZINC001129285572 1373368797 /nfs/dbraw/zinc/36/87/97/1373368797.db2.gz NLXQNFZABXQWMG-UHFFFAOYSA-N 0 0 341.776 3.061 10 5 EGBERN COCc1ncc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC001129308292 1373370177 /nfs/dbraw/zinc/37/01/77/1373370177.db2.gz CEGSZCOCWNNWPB-UHFFFAOYSA-N 0 0 342.760 3.208 10 5 EGBERN Cc1conc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001129389232 1373378327 /nfs/dbraw/zinc/37/83/27/1373378327.db2.gz MSOPXXLHZKWLCX-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN Cc1ncsc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129480364 1373389222 /nfs/dbraw/zinc/38/92/22/1373389222.db2.gz HXTORKXQXCGXHN-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001129515327 1373393571 /nfs/dbraw/zinc/39/35/71/1373393571.db2.gz TZEMGKJMIONSFW-UHFFFAOYSA-N 0 0 344.348 3.239 10 5 EGBERN COC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC001129834447 1373427151 /nfs/dbraw/zinc/42/71/51/1373427151.db2.gz JHSJMQBGZOXWKU-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN CNC(=O)[C@@H]1CCN(C(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001129905139 1373434363 /nfs/dbraw/zinc/43/43/63/1373434363.db2.gz JHIRCDFRGPBSAG-MRXNPFEDSA-N 0 0 332.403 3.201 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC001130214740 1373475203 /nfs/dbraw/zinc/47/52/03/1373475203.db2.gz DZSVASNNVAUNQE-UHFFFAOYSA-N 0 0 348.305 3.238 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001130447154 1373543595 /nfs/dbraw/zinc/54/35/95/1373543595.db2.gz MAPMRKQTUUZWJA-LBPRGKRZSA-N 0 0 340.445 3.498 10 5 EGBERN CCOc1ccc(C(=O)Oc2ccc(F)c(OC)c2)cc1[N+](=O)[O-] ZINC001130476897 1373550318 /nfs/dbraw/zinc/55/03/18/1373550318.db2.gz JLGGEAUPCDCMEB-UHFFFAOYSA-N 0 0 335.287 3.360 10 5 EGBERN Cn1ncc(C2CC2)c1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130761418 1373588992 /nfs/dbraw/zinc/58/89/92/1373588992.db2.gz UIELKACTOKHEHE-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN CC(C)c1ncncc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761222 1373589370 /nfs/dbraw/zinc/58/93/70/1373589370.db2.gz KVIKCRRVEANFNB-UHFFFAOYSA-N 0 0 337.339 3.309 10 5 EGBERN CCOc1cc(NC(=O)/C=C\c2scnc2C)ccc1[N+](=O)[O-] ZINC001130798639 1373592913 /nfs/dbraw/zinc/59/29/13/1373592913.db2.gz IRQWDTOQMOYIOF-SREVYHEPSA-N 0 0 333.369 3.410 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001130799987 1373593084 /nfs/dbraw/zinc/59/30/84/1373593084.db2.gz ICGPXHSFGUINKV-BLLLJJGKSA-N 0 0 342.399 3.335 10 5 EGBERN CCOc1cc(NC(=O)c2cccc(OC)c2F)ccc1[N+](=O)[O-] ZINC001130799121 1373593167 /nfs/dbraw/zinc/59/31/67/1373593167.db2.gz UCPSZWXUPSCJJP-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CCCn1nccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130960234 1373616487 /nfs/dbraw/zinc/61/64/87/1373616487.db2.gz YNYPWESMPNYOJU-UHFFFAOYSA-N 0 0 325.328 3.002 10 5 EGBERN C[C@@H]1Cc2cc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2O1 ZINC001131052016 1373633286 /nfs/dbraw/zinc/63/32/86/1373633286.db2.gz TVBZRGNVFTUIQZ-SECBINFHSA-N 0 0 344.279 3.046 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC001131139561 1373650008 /nfs/dbraw/zinc/65/00/08/1373650008.db2.gz IOIBIIZWXAVAQV-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN CC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001131159971 1373655557 /nfs/dbraw/zinc/65/55/57/1373655557.db2.gz AUTSGUMHQIADLJ-UHFFFAOYSA-N 0 0 333.731 3.459 10 5 EGBERN Cc1cccn2c(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cnc12 ZINC001131185345 1373659040 /nfs/dbraw/zinc/65/90/40/1373659040.db2.gz RXIFFCZBLHQPTR-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cccc2c1COCC2 ZINC001131250807 1373669390 /nfs/dbraw/zinc/66/93/90/1373669390.db2.gz JCQIYLABCQAUFR-UHFFFAOYSA-N 0 0 349.346 3.468 10 5 EGBERN CC1(C)C[C@]1(NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001131667426 1373751978 /nfs/dbraw/zinc/75/19/78/1373751978.db2.gz GKVMNBNBPGATLB-IBGZPJMESA-N 0 0 340.379 3.415 10 5 EGBERN C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC001131849009 1373837461 /nfs/dbraw/zinc/83/74/61/1373837461.db2.gz BHGZIUBZSGOCNU-ZETCQYMHSA-N 0 0 343.767 3.264 10 5 EGBERN CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC001131868079 1373851100 /nfs/dbraw/zinc/85/11/00/1373851100.db2.gz DJEVGZJCOHEZFB-UHFFFAOYSA-N 0 0 347.396 3.275 10 5 EGBERN COc1ccc(F)cc1-c1cncc(Cn2nccc2[N+](=O)[O-])c1 ZINC001188642747 1388351624 /nfs/dbraw/zinc/35/16/24/1388351624.db2.gz PXGYKIQETIOSQL-UHFFFAOYSA-N 0 0 328.303 3.049 10 5 EGBERN CCCc1ccccc1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001132017928 1375100535 /nfs/dbraw/zinc/10/05/35/1375100535.db2.gz GEMAPLTYOIHTBT-UHFFFAOYSA-N 0 0 329.308 3.495 10 5 EGBERN CCC(C)(C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001132022528 1375103324 /nfs/dbraw/zinc/10/33/24/1375103324.db2.gz CXFDZJIXIKYGAE-UHFFFAOYSA-N 0 0 330.388 3.337 10 5 EGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccsc1Cl ZINC001188702318 1388364339 /nfs/dbraw/zinc/36/43/39/1388364339.db2.gz YWKHYIMXAZJVLT-UHFFFAOYSA-N 0 0 337.744 3.175 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001132418829 1375366261 /nfs/dbraw/zinc/36/62/61/1375366261.db2.gz OGDYUDHZZNKSBK-UHFFFAOYSA-N 0 0 349.730 3.395 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cn(C)nc1C(C)C ZINC001132432433 1375377620 /nfs/dbraw/zinc/37/76/20/1375377620.db2.gz WVBYBLREHGBFOG-UHFFFAOYSA-N 0 0 331.372 3.426 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCSc1ccccc1 ZINC001132747581 1375543669 /nfs/dbraw/zinc/54/36/69/1375543669.db2.gz UZAXLTQRCWWHBF-UHFFFAOYSA-N 0 0 333.369 3.119 10 5 EGBERN CCSc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001132750503 1375545645 /nfs/dbraw/zinc/54/56/45/1375545645.db2.gz OWCGRDYIHLWILF-UHFFFAOYSA-N 0 0 347.396 3.292 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C ZINC001133017541 1375714829 /nfs/dbraw/zinc/71/48/29/1375714829.db2.gz RKRBXXALTCSSHW-UHFFFAOYSA-N 0 0 342.351 3.432 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC001133092802 1375770341 /nfs/dbraw/zinc/77/03/41/1375770341.db2.gz DIVMPTRMISPICP-RVSPLBMKSA-N 0 0 332.400 3.406 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1C ZINC001133235873 1375858598 /nfs/dbraw/zinc/85/85/98/1375858598.db2.gz PTFVLXVSTFDFDG-UHFFFAOYSA-N 0 0 327.340 3.370 10 5 EGBERN Cn1c2ccccc2nc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001133260248 1375875957 /nfs/dbraw/zinc/87/59/57/1375875957.db2.gz YVDNMSXFQAKDHG-UONOGXRCSA-N 0 0 336.351 3.224 10 5 EGBERN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC001133275265 1375890145 /nfs/dbraw/zinc/89/01/45/1375890145.db2.gz IHIYWNKVWAELRC-HUUCEWRRSA-N 0 0 332.306 3.374 10 5 EGBERN C[C@@H](NC(=O)c1ccc(OC(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001133657162 1376140572 /nfs/dbraw/zinc/14/05/72/1376140572.db2.gz ILJCCWHHWFGJSQ-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN COc1ccc(F)cc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133706426 1376166331 /nfs/dbraw/zinc/16/63/31/1376166331.db2.gz LOFCFSXTEFATMV-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001133706877 1376167438 /nfs/dbraw/zinc/16/74/38/1376167438.db2.gz WCRGQIWQFXXSDI-UKRRQHHQSA-N 0 0 348.305 3.244 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001133819305 1376217518 /nfs/dbraw/zinc/21/75/18/1376217518.db2.gz ZGYOSBDTYBYIAM-HOSYDEDBSA-N 0 0 340.782 3.482 10 5 EGBERN COc1cc(Cl)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001134334554 1376482881 /nfs/dbraw/zinc/48/28/81/1376482881.db2.gz VCXDLXQHKWNCSM-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCc1ccc2c(c1)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001135267420 1377011408 /nfs/dbraw/zinc/01/14/08/1377011408.db2.gz WXZJCRHZFWXDMJ-UHFFFAOYSA-N 0 0 328.343 3.495 10 5 EGBERN COc1c(C(=O)N2CCc3cc(F)cc(F)c3C2)cccc1[N+](=O)[O-] ZINC001135303937 1377028174 /nfs/dbraw/zinc/02/81/74/1377028174.db2.gz LXFKYJWXQLKVJP-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001265724122 1377164021 /nfs/dbraw/zinc/16/40/21/1377164021.db2.gz HHLUIFXWDXXPKE-GXFFZTMASA-N 0 0 330.388 3.416 10 5 EGBERN C[C@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001136308517 1377375524 /nfs/dbraw/zinc/37/55/24/1377375524.db2.gz KTVCMFHBSMVQHM-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN Cc1occc1CN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001136486156 1377398033 /nfs/dbraw/zinc/39/80/33/1377398033.db2.gz ZEYIXYNRRIPIEO-UHFFFAOYSA-N 0 0 341.726 3.143 10 5 EGBERN O=C([C@@H](O)C1CCCCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001137107708 1377479750 /nfs/dbraw/zinc/47/97/50/1377479750.db2.gz ZFQUAPBNSWZUST-KRWDZBQOSA-N 0 0 332.400 3.158 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c[nH]ccc-2n1 ZINC001137531552 1377561679 /nfs/dbraw/zinc/56/16/79/1377561679.db2.gz VMEDNEARYOBSJY-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001137670019 1377586753 /nfs/dbraw/zinc/58/67/53/1377586753.db2.gz TVZIUSGKCJVVJA-UHFFFAOYSA-N 0 0 329.356 3.432 10 5 EGBERN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001137874042 1377634990 /nfs/dbraw/zinc/63/49/90/1377634990.db2.gz BYQKEDKSMKPSNL-SWLSCSKDSA-N 0 0 334.416 3.268 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cc(Cl)ccc1F ZINC001138044464 1377670370 /nfs/dbraw/zinc/67/03/70/1377670370.db2.gz MUDJQBGSZUROPK-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1 ZINC001141180659 1378260314 /nfs/dbraw/zinc/26/03/14/1378260314.db2.gz SVWDEMODCDPFOX-UHFFFAOYSA-N 0 0 329.356 3.433 10 5 EGBERN CN(Cc1nc2ccccc2[nH]1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001141371653 1378313203 /nfs/dbraw/zinc/31/32/03/1378313203.db2.gz GPPLEGCYZFWBSW-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(C2CC2)ccc1F ZINC001141439882 1378326570 /nfs/dbraw/zinc/32/65/70/1378326570.db2.gz MOXKUAVNKRMPSO-UHFFFAOYSA-N 0 0 329.331 3.124 10 5 EGBERN CC1(C)C[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001141877378 1378388962 /nfs/dbraw/zinc/38/89/62/1378388962.db2.gz OLHRYQYFBOJNJT-GFCCVEGCSA-N 0 0 340.807 3.112 10 5 EGBERN C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001141891432 1378390427 /nfs/dbraw/zinc/39/04/27/1378390427.db2.gz RXCKOIUIYUKVRD-GFCCVEGCSA-N 0 0 339.351 3.210 10 5 EGBERN O=C(Nc1ccc(CO)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001143541037 1378613103 /nfs/dbraw/zinc/61/31/03/1378613103.db2.gz CKEPQOZSFHUCRL-UHFFFAOYSA-N 0 0 340.257 3.358 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1Cc2ccccc2C1 ZINC001144043360 1378674421 /nfs/dbraw/zinc/67/44/21/1378674421.db2.gz SLBNZOMYGNGZDE-UHFFFAOYSA-N 0 0 334.335 3.141 10 5 EGBERN CCOc1ccc(OC)cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001144854877 1378777195 /nfs/dbraw/zinc/77/71/95/1378777195.db2.gz BNTDHGRPVIQWIW-UHFFFAOYSA-N 0 0 348.330 3.322 10 5 EGBERN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001146679824 1378895612 /nfs/dbraw/zinc/89/56/12/1378895612.db2.gz WWRGJPFBODPVQB-HOCLYGCPSA-N 0 0 334.416 3.303 10 5 EGBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001147553084 1379041512 /nfs/dbraw/zinc/04/15/12/1379041512.db2.gz KLPBGOZAAZHWAW-DZGCQCFKSA-N 0 0 330.315 3.028 10 5 EGBERN O=[N+]([O-])c1cccc2c(NC[C@]34OCCC[C@H]3C4(F)F)ccnc21 ZINC001327725077 1388590099 /nfs/dbraw/zinc/59/00/99/1388590099.db2.gz DAJZTKRCAAVXEX-HIFRSBDPSA-N 0 0 335.310 3.369 10 5 EGBERN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001148387641 1379162407 /nfs/dbraw/zinc/16/24/07/1379162407.db2.gz GHEUWRJWVNXNAT-RYUDHWBXSA-N 0 0 346.412 3.298 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(CC2(F)F)C1 ZINC001327813693 1388598677 /nfs/dbraw/zinc/59/86/77/1388598677.db2.gz JKVSOBAJTZVXQG-UHFFFAOYSA-N 0 0 341.314 3.303 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001152690159 1379971203 /nfs/dbraw/zinc/97/12/03/1379971203.db2.gz VGMYRAGRSGOBCF-QLJPJBMISA-N 0 0 342.326 3.281 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](C)Cc1ccsc1 ZINC001155016450 1380392221 /nfs/dbraw/zinc/39/22/21/1380392221.db2.gz PDTYOAZVPGPUBE-NSHDSACASA-N 0 0 333.413 3.332 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328088814 1388668066 /nfs/dbraw/zinc/66/80/66/1388668066.db2.gz SGBFARKHTCDSCO-FRRDWIJNSA-N 0 0 339.342 3.170 10 5 EGBERN C[C@@H](CNC(=O)Cc1nc(C2CC2)cs1)c1ccccc1[N+](=O)[O-] ZINC001157523681 1380955703 /nfs/dbraw/zinc/95/57/03/1380955703.db2.gz FNGDYDKOSDRMKO-NSHDSACASA-N 0 0 345.424 3.391 10 5 EGBERN CC[C@@H](C)n1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1C ZINC001158231792 1381168549 /nfs/dbraw/zinc/16/85/49/1381168549.db2.gz KAYDKVVUAODCHS-SNVBAGLBSA-N 0 0 331.376 3.214 10 5 EGBERN CCc1cc(Cl)cnc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC001287472627 1381220241 /nfs/dbraw/zinc/22/02/41/1381220241.db2.gz KHEPYFVWLIKKPE-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001287581377 1381270967 /nfs/dbraw/zinc/27/09/67/1381270967.db2.gz LBBVWMZKZYQFMN-LBPRGKRZSA-N 0 0 339.189 3.420 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328302304 1388720128 /nfs/dbraw/zinc/72/01/28/1388720128.db2.gz LGCXZFHMXMQOKH-MCIONIFRSA-N 0 0 338.354 3.277 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc2c[nH]nc21 ZINC001159024363 1381515032 /nfs/dbraw/zinc/51/50/32/1381515032.db2.gz VPWPNPMHOVGQFK-UHFFFAOYSA-N 0 0 330.731 3.306 10 5 EGBERN Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC001159037771 1381530249 /nfs/dbraw/zinc/53/02/49/1381530249.db2.gz JKHGEPRGTVNBKH-UHFFFAOYSA-N 0 0 339.395 3.463 10 5 EGBERN Cc1ccc(C(=O)NC[C@@]2(C)OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001288304040 1381772331 /nfs/dbraw/zinc/77/23/31/1381772331.db2.gz CUGPDQQTGAIURI-LJQANCHMSA-N 0 0 340.379 3.121 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCc3cc(F)cnc32)ccc1[N+](=O)[O-] ZINC001288448375 1381817485 /nfs/dbraw/zinc/81/74/85/1381817485.db2.gz SBPNXVMYTLGISM-UHFFFAOYSA-N 0 0 345.330 3.119 10 5 EGBERN O=C(NCCC[C@@H]1C=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001288462160 1381823054 /nfs/dbraw/zinc/82/30/54/1381823054.db2.gz PORWKVAKZFCBSA-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN Cc1ccccc1CCN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001159556266 1381829429 /nfs/dbraw/zinc/82/94/29/1381829429.db2.gz GKDVZBOVACJWQG-UHFFFAOYSA-N 0 0 347.802 3.454 10 5 EGBERN CC(C)ONC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001159691669 1381869849 /nfs/dbraw/zinc/86/98/49/1381869849.db2.gz NAICVMWLPHWCJF-UHFFFAOYSA-N 0 0 329.356 3.277 10 5 EGBERN CC(C)(NC(=O)c1cc(F)c(C=O)cc1F)c1ccccc1[N+](=O)[O-] ZINC001159795850 1381902791 /nfs/dbraw/zinc/90/27/91/1381902791.db2.gz NNZSXEFLGRMMPZ-UHFFFAOYSA-N 0 0 348.305 3.351 10 5 EGBERN CCc1ccc([C@H]2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001159908974 1381934464 /nfs/dbraw/zinc/93/44/64/1381934464.db2.gz MCDNGAINMZVBPW-LBPRGKRZSA-N 0 0 348.790 3.163 10 5 EGBERN Cc1c(C(=O)Nc2cncc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001288862500 1381951748 /nfs/dbraw/zinc/95/17/48/1381951748.db2.gz DKMCZJOYUKLVLP-UHFFFAOYSA-N 0 0 336.691 3.112 10 5 EGBERN Cc1cnc(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)cn1 ZINC001289435681 1381999582 /nfs/dbraw/zinc/99/95/82/1381999582.db2.gz DPYDIAYJUFXGPU-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2ccncc2)C1 ZINC001160386493 1382090546 /nfs/dbraw/zinc/09/05/46/1382090546.db2.gz AXTMFDFWJMUBNC-ZDUSSCGKSA-N 0 0 336.351 3.101 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001160558226 1382141076 /nfs/dbraw/zinc/14/10/76/1382141076.db2.gz YPVVEEMRRYNJSF-JTQLQIEISA-N 0 0 344.371 3.094 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2ccc(O)cc2c1O ZINC001291596679 1382144214 /nfs/dbraw/zinc/14/42/14/1382144214.db2.gz PCMBYGMHZAKBSF-UHFFFAOYSA-N 0 0 338.319 3.089 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC001160727395 1382179634 /nfs/dbraw/zinc/17/96/34/1382179634.db2.gz NTRAFYVZNMCWNV-WZRBSPASSA-N 0 0 343.387 3.391 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc(C(C)(C)C)cs1 ZINC001293184992 1382266511 /nfs/dbraw/zinc/26/65/11/1382266511.db2.gz ZCMNVAVUBPLWIS-VIFPVBQESA-N 0 0 348.428 3.422 10 5 EGBERN CC(C)c1ccc(C[C@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001295088042 1382533049 /nfs/dbraw/zinc/53/30/49/1382533049.db2.gz FYLOTOFSLPLYEL-LBPRGKRZSA-N 0 0 342.399 3.056 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2ccccn2)cc1C ZINC001161979690 1382585560 /nfs/dbraw/zinc/58/55/60/1382585560.db2.gz ACTDJSSOQVLHTA-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CNc1nnc(Sc2c3cc(F)ccc3ncc2[N+](=O)[O-])s1 ZINC001162037898 1382610956 /nfs/dbraw/zinc/61/09/56/1382610956.db2.gz KDEWHCYUEADKJK-UHFFFAOYSA-N 0 0 337.361 3.327 10 5 EGBERN O=C(C[C@H]1CCCC[C@@H]1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001295350274 1382614078 /nfs/dbraw/zinc/61/40/78/1382614078.db2.gz CABXYWYAFKHLQF-DYVFJYSZSA-N 0 0 332.400 3.027 10 5 EGBERN CCc1nc(Sc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC001162067931 1382618282 /nfs/dbraw/zinc/61/82/82/1382618282.db2.gz AVTOTPKGSOKEEB-UHFFFAOYSA-N 0 0 329.179 3.189 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCOC2CCCC2)cc1C ZINC001162195589 1382653970 /nfs/dbraw/zinc/65/39/70/1382653970.db2.gz ISRBORAWLOEHQZ-UHFFFAOYSA-N 0 0 336.388 3.451 10 5 EGBERN O=[N+]([O-])c1cnc(NCCNc2ncccc2C(F)(F)F)c(F)c1 ZINC001162195955 1382654078 /nfs/dbraw/zinc/65/40/78/1382654078.db2.gz YRFIACNZEXGRLV-UHFFFAOYSA-N 0 0 345.256 3.067 10 5 EGBERN NC(=O)c1cc(N[C@@H]2CCc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC001162251935 1382685202 /nfs/dbraw/zinc/68/52/02/1382685202.db2.gz UZLLDWHASFNXNY-CQSZACIVSA-N 0 0 331.759 3.447 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] ZINC001295559400 1382724285 /nfs/dbraw/zinc/72/42/85/1382724285.db2.gz LGXLOFKZNMQIFA-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328676273 1388804963 /nfs/dbraw/zinc/80/49/63/1388804963.db2.gz BTOQUZRQGOENLS-SJLPKXTDSA-N 0 0 326.327 3.322 10 5 EGBERN O=[N+]([O-])c1cnc(NCCNc2ccc3ccccc3n2)c(F)c1 ZINC001162333392 1382732524 /nfs/dbraw/zinc/73/25/24/1382732524.db2.gz GGLSXMUKVVHVQA-UHFFFAOYSA-N 0 0 327.319 3.201 10 5 EGBERN CO[C@]1(C)C[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1(C)C ZINC001162680476 1382831278 /nfs/dbraw/zinc/83/12/78/1382831278.db2.gz GXTDPPWSHNOTEH-SUMWQHHRSA-N 0 0 337.420 3.417 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC(Cc2c(F)cccc2F)C1 ZINC001162725373 1382848442 /nfs/dbraw/zinc/84/84/42/1382848442.db2.gz OEEABILXAMCFGI-UHFFFAOYSA-N 0 0 349.293 3.460 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc2cccnc2c1 ZINC001163061919 1382958747 /nfs/dbraw/zinc/95/87/47/1382958747.db2.gz CHCKHWRZLSJQPF-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cnc2ccsc2c1 ZINC001163349827 1383028908 /nfs/dbraw/zinc/02/89/08/1383028908.db2.gz BQTNTVACJINMHG-UHFFFAOYSA-N 0 0 349.318 3.413 10 5 EGBERN Cc1cc(C)cc(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001163355762 1383029549 /nfs/dbraw/zinc/02/95/49/1383029549.db2.gz WVTGRTPMCYXADN-UHFFFAOYSA-N 0 0 334.322 3.349 10 5 EGBERN O=C1CC[C@@H](c2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)N1 ZINC001163511990 1383070843 /nfs/dbraw/zinc/07/08/43/1383070843.db2.gz LULFUYXYYQVSGH-ZDUSSCGKSA-N 0 0 332.747 3.338 10 5 EGBERN COC(=O)c1occc1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001163748445 1383117617 /nfs/dbraw/zinc/11/76/17/1383117617.db2.gz DQIXWYGTCJAOIG-UHFFFAOYSA-N 0 0 327.296 3.135 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001163877044 1383132002 /nfs/dbraw/zinc/13/20/02/1383132002.db2.gz HGAMUMBUZBJSOL-BNOWGMLFSA-N 0 0 336.413 3.004 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3[nH]ccc32)c1 ZINC001163978883 1383142715 /nfs/dbraw/zinc/14/27/15/1383142715.db2.gz FMCCTONOGGSIAS-UHFFFAOYSA-N 0 0 325.324 3.475 10 5 EGBERN Cc1ccc(CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC001164233974 1383169380 /nfs/dbraw/zinc/16/93/80/1383169380.db2.gz FZYNSVIJUYQANF-UHFFFAOYSA-N 0 0 327.383 3.192 10 5 EGBERN COc1cc(Sc2nc(CO)cs2)c(Cl)cc1[N+](=O)[O-] ZINC001164243071 1383170366 /nfs/dbraw/zinc/17/03/66/1383170366.db2.gz CWCUEMVQLDZBES-UHFFFAOYSA-N 0 0 332.790 3.357 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cc(C)c[nH]c2=O)cc1C ZINC001164295452 1383175410 /nfs/dbraw/zinc/17/54/10/1383175410.db2.gz YHVNJFCISNZNAZ-UHFFFAOYSA-N 0 0 345.355 3.101 10 5 EGBERN Cn1c(SCc2cccnc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001164602533 1383205855 /nfs/dbraw/zinc/20/58/55/1383205855.db2.gz AXZBRFYIAVZXHK-UHFFFAOYSA-N 0 0 327.369 3.078 10 5 EGBERN Cc1ccnc(-c2noc(COc3cccc(C)c3[N+](=O)[O-])n2)c1 ZINC001165856227 1383353065 /nfs/dbraw/zinc/35/30/65/1383353065.db2.gz IJYDVVVKZIPMHO-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN COc1cccc(-c2nnc(CSc3ccc([N+](=O)[O-])cn3)o2)c1 ZINC001165888658 1383357789 /nfs/dbraw/zinc/35/77/89/1383357789.db2.gz FMBIMVZKFAJPDL-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN Cc1noc(Cn2c(=O)occ2-c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001165944882 1383367987 /nfs/dbraw/zinc/36/79/87/1383367987.db2.gz QBFMJLHHJURDOA-UHFFFAOYSA-N 0 0 335.703 3.015 10 5 EGBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1sccc1Cl ZINC001166040773 1383380780 /nfs/dbraw/zinc/38/07/80/1383380780.db2.gz XAOMQODUHOJZJA-UHFFFAOYSA-N 0 0 337.744 3.175 10 5 EGBERN CON(C[C@H]1CCC[C@H](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001298733961 1383425812 /nfs/dbraw/zinc/42/58/12/1383425812.db2.gz ILGVAPHRKZBIIS-KBPBESRZSA-N 0 0 335.404 3.223 10 5 EGBERN Cc1ccc2oc(CNC(=O)c3ccc([N+](=O)[O-])cc3N)cc2c1 ZINC001166891214 1383495047 /nfs/dbraw/zinc/49/50/47/1383495047.db2.gz AFPSZCRLLQWQIF-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC001299858904 1383632610 /nfs/dbraw/zinc/63/26/10/1383632610.db2.gz PJNNJMWCKLJQAQ-UHFFFAOYSA-N 0 0 337.339 3.075 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001299863109 1383632944 /nfs/dbraw/zinc/63/29/44/1383632944.db2.gz XOOYUINAISCTBB-UHFFFAOYSA-N 0 0 340.339 3.379 10 5 EGBERN CCCONC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001299906044 1383634253 /nfs/dbraw/zinc/63/42/53/1383634253.db2.gz QSMNNRHHGQYXNN-UHFFFAOYSA-N 0 0 332.306 3.031 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1Cc2ccc(O)cc2C1 ZINC001301073130 1383694292 /nfs/dbraw/zinc/69/42/92/1383694292.db2.gz FGFURTGRBAOSCP-UHFFFAOYSA-N 0 0 335.319 3.005 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001167675413 1383707054 /nfs/dbraw/zinc/70/70/54/1383707054.db2.gz SHJVRZHQVQQKKA-UHFFFAOYSA-N 0 0 327.384 3.306 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC(c2ccccc2)C1 ZINC001302340406 1383749565 /nfs/dbraw/zinc/74/95/65/1383749565.db2.gz QKSKCJYZJCMCJH-UHFFFAOYSA-N 0 0 348.362 3.020 10 5 EGBERN Cc1ccc(CNC(=O)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC001302609002 1383761257 /nfs/dbraw/zinc/76/12/57/1383761257.db2.gz PKBDMMFMVMSUKZ-UHFFFAOYSA-N 0 0 332.331 3.128 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1csc(-c2ccccc2Cl)n1 ZINC001303573368 1383807323 /nfs/dbraw/zinc/80/73/23/1383807323.db2.gz MNTGVPOGGOQFJJ-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN CCN(OC)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001303822803 1383814594 /nfs/dbraw/zinc/81/45/94/1383814594.db2.gz GDGOOOLDDUDCIB-UHFFFAOYSA-N 0 0 329.356 3.230 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001304954122 1383858663 /nfs/dbraw/zinc/85/86/63/1383858663.db2.gz UIOBTPFBMMTLJF-ZFWWWQNUSA-N 0 0 339.399 3.276 10 5 EGBERN COC(=O)c1cccc(Oc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC001306912170 1383919824 /nfs/dbraw/zinc/91/98/24/1383919824.db2.gz PXPNPRFFEOCBDI-UHFFFAOYSA-N 0 0 333.296 3.191 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(-n3ccnc3)nc2)c2ccccc21 ZINC001306924665 1383921215 /nfs/dbraw/zinc/92/12/15/1383921215.db2.gz IEGTWCDLATWNRU-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN COc1cc(NCCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC001306929364 1383921920 /nfs/dbraw/zinc/92/19/20/1383921920.db2.gz XOZQUXGABLZEEM-UHFFFAOYSA-N 0 0 336.319 3.242 10 5 EGBERN CC(C)Oc1nc(N[C@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001306959833 1383926461 /nfs/dbraw/zinc/92/64/61/1383926461.db2.gz KLTRRRGNRYRQTO-DZGCQCFKSA-N 0 0 345.399 3.354 10 5 EGBERN CCC(CC)[C@@H](O)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306970125 1383928029 /nfs/dbraw/zinc/92/80/29/1383928029.db2.gz XCVIPENJMIZJAI-HNNXBMFYSA-N 0 0 337.807 3.427 10 5 EGBERN C[C@@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC001307000009 1383931425 /nfs/dbraw/zinc/93/14/25/1383931425.db2.gz RTOGZEKBYOXFSI-ZJUUUORDSA-N 0 0 340.221 3.394 10 5 EGBERN COC(=O)[C@](C)(CNc1cc(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC001307095198 1383939633 /nfs/dbraw/zinc/93/96/33/1383939633.db2.gz AKFMCPLSGLAKQZ-GOSISDBHSA-N 0 0 328.368 3.446 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@H](c2nnc[nH]2)c2ccccc2)c(F)c1 ZINC001307116529 1383942149 /nfs/dbraw/zinc/94/21/49/1383942149.db2.gz LCPUNNWOLCCRJM-LBPRGKRZSA-N 0 0 345.309 3.235 10 5 EGBERN COC(=O)[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC001307143316 1383944977 /nfs/dbraw/zinc/94/49/77/1383944977.db2.gz GKSDKCOEDIZJCG-LBPRGKRZSA-N 0 0 343.177 3.111 10 5 EGBERN CC[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C(=O)OC(C)(C)C ZINC001307211739 1383957627 /nfs/dbraw/zinc/95/76/27/1383957627.db2.gz HBGPQINNYSXUAC-NSHDSACASA-N 0 0 346.387 3.318 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC1(n2cccn2)CC1 ZINC001307218113 1383958329 /nfs/dbraw/zinc/95/83/29/1383958329.db2.gz YXBBFGAAWLZRMI-UHFFFAOYSA-N 0 0 343.774 3.016 10 5 EGBERN COc1ccc(C=O)cc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001307408780 1383984904 /nfs/dbraw/zinc/98/49/04/1383984904.db2.gz RCFXFVOZFYWEGI-UHFFFAOYSA-N 0 0 337.335 3.328 10 5 EGBERN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC001307926370 1384058355 /nfs/dbraw/zinc/05/83/55/1384058355.db2.gz RZMOIXKVZUEQCJ-CYBMUJFWSA-N 0 0 338.404 3.026 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)c2cccc3cc[nH]c32)c1 ZINC001307991684 1384070667 /nfs/dbraw/zinc/07/06/67/1384070667.db2.gz UPBSZVAUXBSCAM-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@]1(C)C1CC1 ZINC001308144065 1384100972 /nfs/dbraw/zinc/10/09/72/1384100972.db2.gz WLTHOOFALFXNLO-GOSISDBHSA-N 0 0 334.416 3.383 10 5 EGBERN CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC001310541149 1384228551 /nfs/dbraw/zinc/22/85/51/1384228551.db2.gz GWENIXRRGVSWHS-JTQLQIEISA-N 0 0 328.328 3.075 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@H]1[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001312312912 1384339223 /nfs/dbraw/zinc/33/92/23/1384339223.db2.gz GFNOXHUIWAODGP-XKQJLSEDSA-N 0 0 349.431 3.238 10 5 EGBERN CCC1(CC)[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001312347368 1384341601 /nfs/dbraw/zinc/34/16/01/1384341601.db2.gz FDKQEOOZFDRPFI-CVEARBPZSA-N 0 0 349.431 3.030 10 5 EGBERN C[C@H](Cc1cccs1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001312621536 1384361191 /nfs/dbraw/zinc/36/11/91/1384361191.db2.gz IOPGNCBNMLQVAC-CYBMUJFWSA-N 0 0 347.440 3.471 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(N3CCCC3)n2Cc2ccco2)c1 ZINC001316583341 1384461878 /nfs/dbraw/zinc/46/18/78/1384461878.db2.gz SOUDFVFIUAAHNR-UHFFFAOYSA-N 0 0 339.355 3.095 10 5 EGBERN CCn1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1C ZINC001176488530 1385603291 /nfs/dbraw/zinc/60/32/91/1385603291.db2.gz HMJGONULENTSRU-UHFFFAOYSA-N 0 0 339.355 3.367 10 5 EGBERN C[C@@H]1CCC(F)(F)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001176897718 1385736340 /nfs/dbraw/zinc/73/63/40/1385736340.db2.gz NQOXLVVTEBDALV-SNVBAGLBSA-N 0 0 338.314 3.264 10 5 EGBERN Cc1nc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)sc1C ZINC001318684341 1385837417 /nfs/dbraw/zinc/83/74/17/1385837417.db2.gz FOMGMYXJQTWJLN-UHFFFAOYSA-N 0 0 347.440 3.350 10 5 EGBERN C[C@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001177676293 1386020917 /nfs/dbraw/zinc/02/09/17/1386020917.db2.gz PHRIEXAHRJEGJQ-LLVKDONJSA-N 0 0 332.404 3.202 10 5 EGBERN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001179527360 1386506815 /nfs/dbraw/zinc/50/68/15/1386506815.db2.gz SHUVASPYNUJXQS-LLVKDONJSA-N 0 0 348.790 3.380 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001179738785 1386568126 /nfs/dbraw/zinc/56/81/26/1386568126.db2.gz AJJQTWHWVKNQIC-UHFFFAOYSA-N 0 0 349.774 3.395 10 5 EGBERN CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC001320936085 1386763337 /nfs/dbraw/zinc/76/33/37/1386763337.db2.gz QIDSJNFQDKFNMP-YGRLFVJLSA-N 0 0 343.221 3.214 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001330232537 1389354956 /nfs/dbraw/zinc/35/49/56/1389354956.db2.gz PTESNEAFYVPCRO-IACUBPJLSA-N 0 0 343.339 3.124 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001337697674 1389421604 /nfs/dbraw/zinc/42/16/04/1389421604.db2.gz BHHXSJNYALWLEH-SJLPKXTDSA-N 0 0 332.400 3.243 10 5 EGBERN CC(C)C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318566 1389633726 /nfs/dbraw/zinc/63/37/26/1389633726.db2.gz IDSGQFNBTNUIGW-ZDUSSCGKSA-N 0 0 345.237 3.196 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC2(CC2(F)F)C1 ZINC001331263865 1389675717 /nfs/dbraw/zinc/67/57/17/1389675717.db2.gz WUGVPXGDWQOTBJ-UHFFFAOYSA-N 0 0 348.708 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](Nc2ncccn2)C1 ZINC001332078970 1389971043 /nfs/dbraw/zinc/97/10/43/1389971043.db2.gz NLECYMNGXCHSCN-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001334553713 1390557267 /nfs/dbraw/zinc/55/72/67/1390557267.db2.gz NHTGOWZKQYOIJL-FUJMWEONSA-N 0 0 338.354 3.468 10 5 EGBERN Cc1cccc(F)c1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001342228882 1390588033 /nfs/dbraw/zinc/58/80/33/1390588033.db2.gz MVNZMHQGKGFGEL-UHFFFAOYSA-N 0 0 332.331 3.465 10 5 EGBERN CSc1cccc(C(=O)O[C@@H]2CCCc3nccnc32)c1[N+](=O)[O-] ZINC001343930478 1390745006 /nfs/dbraw/zinc/74/50/06/1390745006.db2.gz TVFPXCNQEREWOS-GFCCVEGCSA-N 0 0 345.380 3.341 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC001344402295 1390789145 /nfs/dbraw/zinc/78/91/45/1390789145.db2.gz IVJZACNYTPYJMY-LLVKDONJSA-N 0 0 342.779 3.147 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@]12CCC[C@H]1OCC2 ZINC001344838557 1390818378 /nfs/dbraw/zinc/81/83/78/1390818378.db2.gz JNPCGGWBTANKFX-NVXWUHKLSA-N 0 0 337.347 3.169 10 5 EGBERN C[C@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001344930871 1390825642 /nfs/dbraw/zinc/82/56/42/1390825642.db2.gz PORJCPGEXLEJKN-GFCCVEGCSA-N 0 0 339.413 3.293 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCOC2(CCC2)C1 ZINC001344982610 1390828837 /nfs/dbraw/zinc/82/88/37/1390828837.db2.gz FIFRAIWFBPFEQX-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN COc1ccc(NC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])c1 ZINC001345094875 1390836715 /nfs/dbraw/zinc/83/67/15/1390836715.db2.gz AUJKLQYYXXDOFZ-KBPBESRZSA-N 0 0 345.758 3.430 10 5 EGBERN C[C@@H](COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001345663370 1390873524 /nfs/dbraw/zinc/87/35/24/1390873524.db2.gz HQLJDAQAYCZHGZ-ZDUSSCGKSA-N 0 0 335.400 3.478 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC001345693775 1390877499 /nfs/dbraw/zinc/87/74/99/1390877499.db2.gz KCNWHNPUTDQZEA-AWEZNQCLSA-N 0 0 336.388 3.192 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC001347815554 1391128922 /nfs/dbraw/zinc/12/89/22/1391128922.db2.gz BIWHRVWCZRYKRR-ONOSFVFSSA-N 0 0 330.718 3.412 10 5 EGBERN COc1cccc(OCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001348467872 1391223927 /nfs/dbraw/zinc/22/39/27/1391223927.db2.gz CQTZCERDIQMQGY-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN O=C(OCCC[N+](=O)[O-])c1oc2ccccc2c1Br ZINC001348785311 1391266992 /nfs/dbraw/zinc/26/69/92/1391266992.db2.gz IZZSOCPNAIXDKE-UHFFFAOYSA-N 0 0 328.118 3.019 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001348992964 1391293566 /nfs/dbraw/zinc/29/35/66/1391293566.db2.gz OKPIEKNQHDVBAZ-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001349113765 1391303719 /nfs/dbraw/zinc/30/37/19/1391303719.db2.gz VYHGPLHYBOXAKS-UHFFFAOYSA-N 0 0 341.323 3.323 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001350067893 1391405632 /nfs/dbraw/zinc/40/56/32/1391405632.db2.gz HJNZEERAPAUMSJ-CRAIPNDOSA-N 0 0 332.400 3.243 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001350145438 1391420645 /nfs/dbraw/zinc/42/06/45/1391420645.db2.gz XFQUDURBEKDZQZ-ZFWWWQNUSA-N 0 0 327.340 3.281 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001350319230 1391446345 /nfs/dbraw/zinc/44/63/45/1391446345.db2.gz DLBLGZJVGMYVOX-AWEZNQCLSA-N 0 0 344.367 3.420 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cn(-c2ccccc2)cn1 ZINC001350385677 1391456757 /nfs/dbraw/zinc/45/67/57/1391456757.db2.gz CNGPBMFUMFVTFP-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN Cc1c(NC(=O)[C@]2(C)COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC001350397265 1391458307 /nfs/dbraw/zinc/45/83/07/1391458307.db2.gz QCYQRWKRWOYICD-KRWDZBQOSA-N 0 0 328.324 3.072 10 5 EGBERN COc1ccc(NC(=O)Cn2ccc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001350452116 1391466798 /nfs/dbraw/zinc/46/67/98/1391466798.db2.gz ZXJJAVBGECXGLD-UHFFFAOYSA-N 0 0 343.314 3.336 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001350627941 1391493946 /nfs/dbraw/zinc/49/39/46/1391493946.db2.gz DHUBVDMIGVCGSH-OAHLLOKOSA-N 0 0 348.305 3.311 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccnc(-c2ccccc2)n1 ZINC001351286910 1391621407 /nfs/dbraw/zinc/62/14/07/1391621407.db2.gz KZGARISHSXXRRJ-UHFFFAOYSA-N 0 0 348.362 3.024 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)OCc1cccc([N+](=O)[O-])c1)CO2 ZINC001351595094 1391654840 /nfs/dbraw/zinc/65/48/40/1391654840.db2.gz TWPHCSRXBHPQRO-UHFFFAOYSA-N 0 0 325.320 3.422 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ncoc2-c2ccon2)c([N+](=O)[O-])c1 ZINC001352039646 1391749492 /nfs/dbraw/zinc/74/94/92/1391749492.db2.gz JTLOKSIEOWIYLZ-UHFFFAOYSA-N 0 0 329.268 3.074 10 5 EGBERN COC(=O)c1ccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001352602523 1391820002 /nfs/dbraw/zinc/82/00/02/1391820002.db2.gz YTTUAUURLKODOW-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(OC(F)F)nc1 ZINC001352660959 1391829955 /nfs/dbraw/zinc/82/99/55/1391829955.db2.gz NUCRQHPLHZACIN-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cn1)c1ccc([N+](=O)[O-])o1 ZINC001352904134 1391877183 /nfs/dbraw/zinc/87/71/83/1391877183.db2.gz DNQBZBQOJFOSOJ-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN Nc1c(C(=O)N2CCCc3ncccc32)cc2ccccc2c1[N+](=O)[O-] ZINC001353042111 1391920325 /nfs/dbraw/zinc/92/03/25/1391920325.db2.gz KOUKFFUOQWCPDX-UHFFFAOYSA-N 0 0 348.362 3.318 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(-n2cccc2)c1 ZINC001353126205 1391938756 /nfs/dbraw/zinc/93/87/56/1391938756.db2.gz OCIGMJOIQWOZMQ-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN O=C(Cc1ccc(Cl)cn1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353338399 1391992156 /nfs/dbraw/zinc/99/21/56/1391992156.db2.gz QBMIOJUVFLJQAO-UHFFFAOYSA-N 0 0 327.674 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCCN1C(=O)CC(C)C ZINC001354533337 1392150952 /nfs/dbraw/zinc/15/09/52/1392150952.db2.gz KCEKPGDQAIENDG-HNNXBMFYSA-N 0 0 348.399 3.236 10 5 EGBERN CN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001354702518 1392162477 /nfs/dbraw/zinc/16/24/77/1392162477.db2.gz KHEGCBPBFSWQKY-UHFFFAOYSA-N 0 0 338.285 3.213 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001355014829 1392185936 /nfs/dbraw/zinc/18/59/36/1392185936.db2.gz FBOSHOOIDSXOMD-UHFFFAOYSA-N 0 0 347.302 3.440 10 5 EGBERN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)oc1Br ZINC001355021879 1392186557 /nfs/dbraw/zinc/18/65/57/1392186557.db2.gz HAKJGZBNYPGELM-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN CCCCC1(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001481642277 1394429232 /nfs/dbraw/zinc/42/92/32/1394429232.db2.gz HXYNOWABRLFSBK-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CCC(CC)CC(=O)NCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001689820451 1404159172 /nfs/dbraw/zinc/15/91/72/1404159172.db2.gz OVNIGVMLPSZIPB-UHFFFAOYSA-N 0 0 325.384 3.113 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC001690210496 1404417899 /nfs/dbraw/zinc/41/78/99/1404417899.db2.gz HFJYEMKOLHJXOR-CTYIDZIISA-N 0 0 333.432 3.282 10 5 EGBERN CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCC1 ZINC001700182712 1413598297 /nfs/dbraw/zinc/59/82/97/1413598297.db2.gz AIWHESDJYSCVQM-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN CCCCn1c(C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001709620245 1417444013 /nfs/dbraw/zinc/44/40/13/1417444013.db2.gz PATXYDYJBLTSBJ-UHFFFAOYSA-N 0 0 329.404 3.464 10 5 EGBERN CCCCn1c(C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001709619688 1417444080 /nfs/dbraw/zinc/44/40/80/1417444080.db2.gz CGJZFVKOURRYTP-UHFFFAOYSA-N 0 0 329.404 3.464 10 5 EGBERN CCN(CCNC(=O)CC(C)=C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713490199 1418188318 /nfs/dbraw/zinc/18/83/18/1418188318.db2.gz XADJCILDDBJTGM-UHFFFAOYSA-N 0 0 333.432 3.279 10 5 EGBERN O=C(NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC001714661877 1419447689 /nfs/dbraw/zinc/44/76/89/1419447689.db2.gz XSZNZFFWYYTCKZ-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CC(C)CCCC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723794721 1424567745 /nfs/dbraw/zinc/56/77/45/1424567745.db2.gz LCEODEHPBIKTEA-UHFFFAOYSA-N 0 0 339.461 3.125 10 5 EGBERN CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001726789478 1427084117 /nfs/dbraw/zinc/08/41/17/1427084117.db2.gz MMBFDUDFLYUDRW-UHFFFAOYSA-N 0 0 333.392 3.287 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001742970053 1439532866 /nfs/dbraw/zinc/53/28/66/1439532866.db2.gz MEODCRXEKKGPJX-AAEUAGOBSA-N 0 0 327.388 3.108 10 5 EGBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSCC1 ZINC001745460755 1439775857 /nfs/dbraw/zinc/77/58/57/1439775857.db2.gz SJPOLJGJUZWFPE-UHFFFAOYSA-N 0 0 347.444 3.207 10 5 EGBERN CCC(C)(C)Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001752492500 1440187055 /nfs/dbraw/zinc/18/70/55/1440187055.db2.gz JVDCCCYWOLDOCB-UHFFFAOYSA-N 0 0 343.431 3.494 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1[C@H]1C[C@H]1C ZINC001762888029 1441379441 /nfs/dbraw/zinc/37/94/41/1441379441.db2.gz YIBCHMSKWCNSGT-DOMZBBRYSA-N 0 0 329.404 3.009 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(C)CC1 ZINC001770234850 1441411493 /nfs/dbraw/zinc/41/14/93/1441411493.db2.gz YXDPJQJRHMXPCR-UHFFFAOYSA-N 0 0 331.376 3.041 10 5 EGBERN Cc1nn(Cc2cc(F)ccc2[N+](=O)[O-])c(C)c1Br ZINC000050594417 214060299 /nfs/dbraw/zinc/06/02/99/214060299.db2.gz YDIPVLLFZTUKFR-UHFFFAOYSA-N 0 0 328.141 3.358 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000368211990 168325823 /nfs/dbraw/zinc/32/58/23/168325823.db2.gz KKCJKYJDXRKPSO-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN CCN(CC)C(=O)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000053581804 214189071 /nfs/dbraw/zinc/18/90/71/214189071.db2.gz ZSDCEIYIQGIIKH-MRXNPFEDSA-N 0 0 328.372 3.011 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115144360 282167559 /nfs/dbraw/zinc/16/75/59/282167559.db2.gz COQMGRQSBOIEHM-WFASDCNBSA-N 0 0 325.368 3.316 10 5 EGBERN COc1ccc(CN(C)C(=O)/C=C\c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000098009987 219068270 /nfs/dbraw/zinc/06/82/70/219068270.db2.gz PYUJZFAIASWGSN-ALCCZGGFSA-N 0 0 347.396 3.040 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000187349557 529643204 /nfs/dbraw/zinc/64/32/04/529643204.db2.gz FMGQCSFMYIPFQF-HUUCEWRRSA-N 0 0 347.371 3.062 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)Oc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177805311 529658082 /nfs/dbraw/zinc/65/80/82/529658082.db2.gz VYVSIBNIQLMXDM-BLLLJJGKSA-N 0 0 329.356 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])sc1N1CCC(c2nnc3ccccn32)CC1 ZINC000058413403 214577664 /nfs/dbraw/zinc/57/76/64/214577664.db2.gz OKXMJMDIVQPKSO-UHFFFAOYSA-N 0 0 343.412 3.391 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1F ZINC000155271371 530014627 /nfs/dbraw/zinc/01/46/27/530014627.db2.gz BCTZLUOOORPKCZ-UHFFFAOYSA-N 0 0 346.284 3.118 10 5 EGBERN Cc1nscc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142410 282444188 /nfs/dbraw/zinc/44/41/88/282444188.db2.gz LQZZGRXHUXJLKH-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066660795 215065532 /nfs/dbraw/zinc/06/55/32/215065532.db2.gz ZGZCIRPRXHAKMR-JTQLQIEISA-N 0 0 339.355 3.496 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc21 ZINC000041886178 213468198 /nfs/dbraw/zinc/46/81/98/213468198.db2.gz SKIDLWXEPRRLRP-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000069485505 215437711 /nfs/dbraw/zinc/43/77/11/215437711.db2.gz LTXYAMILZKKYMX-MRVPVSSYSA-N 0 0 346.293 3.240 10 5 EGBERN Cc1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)n1C1CC1 ZINC000040091181 213262948 /nfs/dbraw/zinc/26/29/48/213262948.db2.gz JGYSRNZICJNLGI-SNVBAGLBSA-N 0 0 345.428 3.374 10 5 EGBERN O=C(NCCC[C@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184344778 235372392 /nfs/dbraw/zinc/37/23/92/235372392.db2.gz RYLMLAFVUBFBFU-CYBMUJFWSA-N 0 0 331.372 3.155 10 5 EGBERN COc1ccc(Br)cc1[C@@H](N)c1ccc([N+](=O)[O-])o1 ZINC000035381681 213024857 /nfs/dbraw/zinc/02/48/57/213024857.db2.gz MDLKZCWLBSDSPL-GFCCVEGCSA-N 0 0 327.134 3.007 10 5 EGBERN CC(C)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000032671921 212826215 /nfs/dbraw/zinc/82/62/15/212826215.db2.gz LRDCMCSCUNSXQD-INIZCTEOSA-N 0 0 342.351 3.415 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000072064542 216001800 /nfs/dbraw/zinc/00/18/00/216001800.db2.gz NJFBOBQZKZFDME-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC=C1N=C(c2ccccc2F)OC1=O ZINC000000198224 209477941 /nfs/dbraw/zinc/47/79/41/209477941.db2.gz PQRFSKUKNRZYIM-DHDCSXOGSA-N 0 0 341.298 3.299 10 5 EGBERN Cc1c(CC(=O)N2CCO[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000129969945 223108181 /nfs/dbraw/zinc/10/81/81/223108181.db2.gz RXKZEZLGGVSIMP-MRXNPFEDSA-N 0 0 346.408 3.107 10 5 EGBERN C[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191488350 239142771 /nfs/dbraw/zinc/14/27/71/239142771.db2.gz BGHJIYKFPDQEGT-GXFFZTMASA-N 0 0 347.396 3.472 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012729217 283880530 /nfs/dbraw/zinc/88/05/30/283880530.db2.gz NXJGGJBKUPXOQU-NEPJUHHUSA-N 0 0 330.306 3.375 10 5 EGBERN COCCC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000132817059 223364734 /nfs/dbraw/zinc/36/47/34/223364734.db2.gz KQKUKVWGKAGJCV-UHFFFAOYSA-N 0 0 326.418 3.291 10 5 EGBERN CCC(=O)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000021026071 212200871 /nfs/dbraw/zinc/20/08/71/212200871.db2.gz IPWHRZYJQZVXIY-UHFFFAOYSA-N 0 0 328.324 3.471 10 5 EGBERN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000266557039 284174953 /nfs/dbraw/zinc/17/49/53/284174953.db2.gz MCSBHNZFIKJHAX-CQSZACIVSA-N 0 0 342.399 3.325 10 5 EGBERN COc1cc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1F ZINC000079099303 217193037 /nfs/dbraw/zinc/19/30/37/217193037.db2.gz YIKVJLIUCHPGKV-UHFFFAOYSA-N 0 0 330.319 3.045 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000378602150 169144930 /nfs/dbraw/zinc/14/49/30/169144930.db2.gz WIQYHIURJJNTFX-UHFFFAOYSA-N 0 0 341.342 3.164 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1 ZINC000378644777 169152553 /nfs/dbraw/zinc/15/25/53/169152553.db2.gz LUEVYZJFWFCRFM-HNNXBMFYSA-N 0 0 325.368 3.236 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000362904850 284670169 /nfs/dbraw/zinc/67/01/69/284670169.db2.gz PGRZNTODCBQXAN-UHFFFAOYSA-N 0 0 347.758 3.470 10 5 EGBERN Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000010680518 211185474 /nfs/dbraw/zinc/18/54/74/211185474.db2.gz WCSKQOUDABQBPJ-QGZVFWFLSA-N 0 0 344.342 3.441 10 5 EGBERN COc1cc(NC2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000174705542 533025661 /nfs/dbraw/zinc/02/56/61/533025661.db2.gz SXTHTGMLWRHNFB-UHFFFAOYSA-N 0 0 333.310 3.042 10 5 EGBERN CO[C@H](C)CCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000097082704 218942946 /nfs/dbraw/zinc/94/29/46/218942946.db2.gz GBVVNPTWBUNYEF-MRVPVSSYSA-N 0 0 331.166 3.111 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3ccc(Br)cc3C2)cn1 ZINC000343060197 285132070 /nfs/dbraw/zinc/13/20/70/285132070.db2.gz JKAAXPKLBBJGIS-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccc1 ZINC000097496984 219030476 /nfs/dbraw/zinc/03/04/76/219030476.db2.gz KUBXZBZHXIPQQD-UHFFFAOYSA-N 0 0 341.367 3.315 10 5 EGBERN Cc1cc(N2CCc3cc[nH]c(=O)c3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000375979683 291942689 /nfs/dbraw/zinc/94/26/89/291942689.db2.gz GORZFKWRSRDWQD-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(C)c(C)cc32)n1 ZINC000343277270 292017638 /nfs/dbraw/zinc/01/76/38/292017638.db2.gz VRPNANTXKZJFQE-UHFFFAOYSA-N 0 0 327.340 3.087 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000098097017 140838435 /nfs/dbraw/zinc/83/84/35/140838435.db2.gz DXSYJDMRWHNWKG-ZDUSSCGKSA-N 0 0 348.790 3.171 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(F)cc1 ZINC000103376663 140873266 /nfs/dbraw/zinc/87/32/66/140873266.db2.gz HYOIBJXCMLTTSN-LLVKDONJSA-N 0 0 330.315 3.091 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000161563727 140974056 /nfs/dbraw/zinc/97/40/56/140974056.db2.gz KJNJMJJKFYOBHZ-UHFFFAOYSA-N 0 0 338.323 3.287 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246887211 141041541 /nfs/dbraw/zinc/04/15/41/141041541.db2.gz DRVARIGWDMOFTE-MWDXBVQZSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000338021657 141075621 /nfs/dbraw/zinc/07/56/21/141075621.db2.gz QZONAPDEKIHDQS-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000339559495 141130824 /nfs/dbraw/zinc/13/08/24/141130824.db2.gz WFGKAORFYVOIDP-FNODVLLQSA-N 0 0 346.408 3.132 10 5 EGBERN Cc1ccsc1[C@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342816075 141150847 /nfs/dbraw/zinc/15/08/47/141150847.db2.gz FVNJPRJVQMJLIB-VIFPVBQESA-N 0 0 336.398 3.115 10 5 EGBERN CC(C)O[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000344573975 141175189 /nfs/dbraw/zinc/17/51/89/141175189.db2.gz JPRCFHZGXRMCQR-CVEARBPZSA-N 0 0 345.399 3.398 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000347942894 141222716 /nfs/dbraw/zinc/22/27/16/141222716.db2.gz VNQIPACZVASTPN-IINYFYTJSA-N 0 0 338.791 3.196 10 5 EGBERN C[C@@H](C(=O)N[C@@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347995411 141230344 /nfs/dbraw/zinc/23/03/44/141230344.db2.gz ILYMJZYYLMHGGM-PIGZYNQJSA-N 0 0 343.358 3.500 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000348000398 141231726 /nfs/dbraw/zinc/23/17/26/141231726.db2.gz AGGKMVJFVCBEMQ-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4cncs4)no3)c2c1 ZINC000350493430 141249708 /nfs/dbraw/zinc/24/97/08/141249708.db2.gz QNBZTCAFRWCBEY-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCc2ccc(Br)cc2C1 ZINC000343079026 296522113 /nfs/dbraw/zinc/52/21/13/296522113.db2.gz AQMKRBVVUJAZAN-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000356239659 141326777 /nfs/dbraw/zinc/32/67/77/141326777.db2.gz ABPGDTSOJFICSS-UHFFFAOYSA-N 0 0 325.328 3.081 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1n[nH]c2cc(F)ccc21 ZINC000356839186 141351832 /nfs/dbraw/zinc/35/18/32/141351832.db2.gz MVCHZKXKTYHMLH-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN COc1ccccc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171196993 144001946 /nfs/dbraw/zinc/00/19/46/144001946.db2.gz PATYQIQDVLJONP-INIZCTEOSA-N 0 0 341.367 3.284 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000171643348 144008711 /nfs/dbraw/zinc/00/87/11/144008711.db2.gz XCKGDLSULUWSLW-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC2(CC2)c2ccccc21 ZINC000172432331 144020754 /nfs/dbraw/zinc/02/07/54/144020754.db2.gz XPJAQJXECIRPRV-UHFFFAOYSA-N 0 0 338.363 3.442 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000172786670 144028409 /nfs/dbraw/zinc/02/84/09/144028409.db2.gz FEVNRJFZOZPEOK-HIFRSBDPSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)COCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000172971402 144032257 /nfs/dbraw/zinc/03/22/57/144032257.db2.gz MQZYDYCBVSILFW-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN CN(CC(=O)N1CC2(CC2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000173688453 144046892 /nfs/dbraw/zinc/04/68/92/144046892.db2.gz PHYBOFPJEYUPOR-UHFFFAOYSA-N 0 0 337.379 3.109 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCc3cc(F)ccc3F)cc2N1 ZINC000175168812 144059261 /nfs/dbraw/zinc/05/92/61/144059261.db2.gz DDGDTALKMBKHIR-UHFFFAOYSA-N 0 0 347.321 3.412 10 5 EGBERN Cc1c(CN[C@H](C)c2cn(-c3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000185475058 144113403 /nfs/dbraw/zinc/11/34/03/144113403.db2.gz GMCVVESXTLGJLD-CQSZACIVSA-N 0 0 337.383 3.335 10 5 EGBERN O=C(NCc1ncc(-c2ccccc2)cn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185911744 144121627 /nfs/dbraw/zinc/12/16/27/144121627.db2.gz PLEKLPBSQFKGHK-UHFFFAOYSA-N 0 0 349.350 3.374 10 5 EGBERN COCc1csc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000186513766 144135989 /nfs/dbraw/zinc/13/59/89/144135989.db2.gz RXKOHPYRYCLLPB-UHFFFAOYSA-N 0 0 339.398 3.172 10 5 EGBERN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000187314303 144156868 /nfs/dbraw/zinc/15/68/68/144156868.db2.gz LXEHXALEVZZZTF-DLBZAZTESA-N 0 0 345.399 3.400 10 5 EGBERN CC(C)c1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000192568930 144176831 /nfs/dbraw/zinc/17/68/31/144176831.db2.gz SCTGHJNUCPAMEU-LLVKDONJSA-N 0 0 328.372 3.385 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341086216 155149899 /nfs/dbraw/zinc/14/98/99/155149899.db2.gz MWVXTBRLRHFDPB-KBMXLJTQSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000341276728 155225322 /nfs/dbraw/zinc/22/53/22/155225322.db2.gz QMCBGRIHXJDUHU-UHFFFAOYSA-N 0 0 326.324 3.102 10 5 EGBERN CCc1noc2ncc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000341299190 155233150 /nfs/dbraw/zinc/23/31/50/155233150.db2.gz WPQGKWZHLQJJGF-JTQLQIEISA-N 0 0 340.339 3.184 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@H]1CC1CCC1 ZINC000341337360 155238437 /nfs/dbraw/zinc/23/84/37/155238437.db2.gz JXJVPAHKGKDEGZ-CYBMUJFWSA-N 0 0 338.791 3.279 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)O1 ZINC000154486773 296625736 /nfs/dbraw/zinc/62/57/36/296625736.db2.gz LSZFVOPJMVPORT-MFKMUULPSA-N 0 0 346.305 3.053 10 5 EGBERN COc1ncc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000341422584 155284329 /nfs/dbraw/zinc/28/43/29/155284329.db2.gz RGAPGLPMEPEZHL-UHFFFAOYSA-N 0 0 349.774 3.317 10 5 EGBERN COc1cc(N2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])cc1F ZINC000376472691 286228389 /nfs/dbraw/zinc/22/83/89/286228389.db2.gz IAMWXUOHMVYYKU-UHFFFAOYSA-N 0 0 334.351 3.158 10 5 EGBERN Cc1c2ccccc2oc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000115582371 152019435 /nfs/dbraw/zinc/01/94/35/152019435.db2.gz JCCOADYWPYBWIU-UHFFFAOYSA-N 0 0 346.364 3.128 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116095892 152044170 /nfs/dbraw/zinc/04/41/70/152044170.db2.gz HCOJRRBWUOBVSI-IUODEOHRSA-N 0 0 332.306 3.467 10 5 EGBERN Cn1nccc1CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000121131925 152327516 /nfs/dbraw/zinc/32/75/16/152327516.db2.gz JJLJULRQJDIJAD-UHFFFAOYSA-N 0 0 342.399 3.237 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000188966989 153042706 /nfs/dbraw/zinc/04/27/06/153042706.db2.gz QGOWBBWZGYVEQM-UHFFFAOYSA-N 0 0 332.385 3.268 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000194862936 153362597 /nfs/dbraw/zinc/36/25/97/153362597.db2.gz OMKCLCFITYRYFU-ABAIWWIYSA-N 0 0 344.392 3.325 10 5 EGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194880832 153364448 /nfs/dbraw/zinc/36/44/48/153364448.db2.gz HEIGSOUKDBFMCE-OAHLLOKOSA-N 0 0 339.351 3.033 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000337323595 154283273 /nfs/dbraw/zinc/28/32/73/154283273.db2.gz LXBLVSACGDEDLW-UHFFFAOYSA-N 0 0 337.738 3.123 10 5 EGBERN O=[N+]([O-])c1cc(CN(CC(F)F)CC2CCC2)c2c(c1)COCO2 ZINC000341752324 155458266 /nfs/dbraw/zinc/45/82/66/155458266.db2.gz WLTXDJWYQIKCLH-UHFFFAOYSA-N 0 0 342.342 3.329 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cnc3cnccc3c2)n1 ZINC000345522184 156133497 /nfs/dbraw/zinc/13/34/97/156133497.db2.gz AQNCURRZGXQUEX-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349075341 156344339 /nfs/dbraw/zinc/34/43/39/156344339.db2.gz BECMAYLMBWSNLZ-INIZCTEOSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188107825 292379677 /nfs/dbraw/zinc/37/96/77/292379677.db2.gz CHBXPFMJWNKBTL-UHFFFAOYSA-N 0 0 341.367 3.461 10 5 EGBERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000074809565 161695090 /nfs/dbraw/zinc/69/50/90/161695090.db2.gz JMAXATDGFIMSAI-ZIAGYGMSSA-N 0 0 348.790 3.358 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457612 162010462 /nfs/dbraw/zinc/01/04/62/162010462.db2.gz HIXGZJOCZCAHRY-QTWIXLPOSA-N 0 0 340.379 3.387 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000105850242 162059469 /nfs/dbraw/zinc/05/94/69/162059469.db2.gz WFSXXRTVJCNVCM-INIZCTEOSA-N 0 0 342.399 3.231 10 5 EGBERN CCOC(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F ZINC000109709671 162109968 /nfs/dbraw/zinc/10/99/68/162109968.db2.gz LZIKQOIKHHLQAH-UHFFFAOYSA-N 0 0 343.261 3.035 10 5 EGBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000111090829 162144105 /nfs/dbraw/zinc/14/41/05/162144105.db2.gz AISBMXJSWXOQHJ-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000114499691 162237167 /nfs/dbraw/zinc/23/71/67/162237167.db2.gz LSLMYSFCQCKGEN-MRXNPFEDSA-N 0 0 336.413 3.106 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126605992 162308651 /nfs/dbraw/zinc/30/86/51/162308651.db2.gz SCYBGZRNCYVMOU-UGSOOPFHSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000128858865 162338972 /nfs/dbraw/zinc/33/89/72/162338972.db2.gz ZOJRNQILEMFVEO-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000181227550 162779172 /nfs/dbraw/zinc/77/91/72/162779172.db2.gz MVPWFKZLGVNAOK-AWEZNQCLSA-N 0 0 347.371 3.404 10 5 EGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000337106810 163129858 /nfs/dbraw/zinc/12/98/58/163129858.db2.gz ITRIJSXBHBFZAA-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN COCCC(C)(C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000354325792 166003320 /nfs/dbraw/zinc/00/33/20/166003320.db2.gz VJLILWNHPYZSQJ-UHFFFAOYSA-N 0 0 348.321 3.406 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000338104421 163196350 /nfs/dbraw/zinc/19/63/50/163196350.db2.gz ZSKAGGIWTDJREQ-HNNXBMFYSA-N 0 0 348.305 3.299 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000338492454 163244931 /nfs/dbraw/zinc/24/49/31/163244931.db2.gz WFFRMWXLIDXMRA-JOYOIKCWSA-N 0 0 326.443 3.086 10 5 EGBERN COCCOc1cccc(CNc2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000338649112 163305572 /nfs/dbraw/zinc/30/55/72/163305572.db2.gz LGQRHLRXHBWQOH-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338657592 163308423 /nfs/dbraw/zinc/30/84/23/163308423.db2.gz VPPAQFBXBSWWHX-DOTOQJQBSA-N 0 0 349.431 3.286 10 5 EGBERN COC(=O)c1csc(Sc2ccc(C(C)=O)cc2[N+](=O)[O-])n1 ZINC000338817823 163356229 /nfs/dbraw/zinc/35/62/29/163356229.db2.gz VURHDXXUCPDYAG-UHFFFAOYSA-N 0 0 338.366 3.192 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342680313 163940828 /nfs/dbraw/zinc/94/08/28/163940828.db2.gz OUTGNQUPWMGNAY-SJKOYZFVSA-N 0 0 335.404 3.294 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342680311 163940885 /nfs/dbraw/zinc/94/08/85/163940885.db2.gz OUTGNQUPWMGNAY-PXAZEXFGSA-N 0 0 335.404 3.294 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343643721 164002446 /nfs/dbraw/zinc/00/24/46/164002446.db2.gz BUDWLEWWBICRRV-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN CCOc1cc(C(=O)N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000343849857 164050675 /nfs/dbraw/zinc/05/06/75/164050675.db2.gz VZUQBWDVGVNTMB-ZDUSSCGKSA-N 0 0 348.399 3.430 10 5 EGBERN COc1ccc2occ(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c2c1 ZINC000344221738 164129735 /nfs/dbraw/zinc/12/97/35/164129735.db2.gz OUCHOGIRONPDJV-UHFFFAOYSA-N 0 0 327.296 3.021 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCOC1 ZINC000344260768 164140132 /nfs/dbraw/zinc/14/01/32/164140132.db2.gz FLQSOGICTOPKGU-LBPRGKRZSA-N 0 0 338.429 3.253 10 5 EGBERN CO[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000344347049 164161587 /nfs/dbraw/zinc/16/15/87/164161587.db2.gz HZEOFROSXULFBQ-GHMZBOCLSA-N 0 0 326.418 3.249 10 5 EGBERN O=C(NC[C@@H]1CCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000344602177 164198249 /nfs/dbraw/zinc/19/82/49/164198249.db2.gz IIEKXNYJUIHURG-QMMMGPOBSA-N 0 0 334.319 3.097 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(F)CCC1 ZINC000345708257 164248929 /nfs/dbraw/zinc/24/89/29/164248929.db2.gz HSSNDOOCJKAGPI-NSHDSACASA-N 0 0 326.393 3.474 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCOCc1ccccc1 ZINC000345970473 164305626 /nfs/dbraw/zinc/30/56/26/164305626.db2.gz ZCIJDQIVSRZHTR-CYBMUJFWSA-N 0 0 343.383 3.023 10 5 EGBERN Cc1cccc(-c2cnc(NC(=O)c3nn(C)cc3[N+](=O)[O-])s2)c1 ZINC000345982876 164309424 /nfs/dbraw/zinc/30/94/24/164309424.db2.gz DPTXCBKZXNRNDJ-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cc1cc(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000347191157 164458418 /nfs/dbraw/zinc/45/84/18/164458418.db2.gz UFTXZLIIUJDFKI-LBPRGKRZSA-N 0 0 340.383 3.397 10 5 EGBERN O=C(NCCc1ccco1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348456638 164744706 /nfs/dbraw/zinc/74/47/06/164744706.db2.gz OPGBOTZZSRXHBY-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351958778 165168704 /nfs/dbraw/zinc/16/87/04/165168704.db2.gz XQMQCEIRQXLOGJ-RDDDGLTNSA-N 0 0 328.166 3.277 10 5 EGBERN COC(=O)CCCCNc1ccc([N+](=O)[O-])cc1Br ZINC000352077728 165223311 /nfs/dbraw/zinc/22/33/11/165223311.db2.gz RPYVELGQPASEHM-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN Cc1n[nH]c(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)c1[N+](=O)[O-] ZINC000352253100 165311260 /nfs/dbraw/zinc/31/12/60/165311260.db2.gz VLXWABNFWQRQEN-HNNXBMFYSA-N 0 0 330.388 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1 ZINC000352256858 165312253 /nfs/dbraw/zinc/31/22/53/165312253.db2.gz MPMNNRFJJNWMOO-ZDUSSCGKSA-N 0 0 332.335 3.463 10 5 EGBERN CC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000355721781 166290252 /nfs/dbraw/zinc/29/02/52/166290252.db2.gz PEHHEBMOSWKKKG-UHFFFAOYSA-N 0 0 330.325 3.332 10 5 EGBERN Cc1cccnc1-c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000355843725 166325935 /nfs/dbraw/zinc/32/59/35/166325935.db2.gz NPWYZRJKKFDHKH-UHFFFAOYSA-N 0 0 349.306 3.269 10 5 EGBERN COc1cc(OCC(=O)c2c[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000355955047 166358775 /nfs/dbraw/zinc/35/87/75/166358775.db2.gz UMMHPSSSFFBELN-UHFFFAOYSA-N 0 0 326.308 3.346 10 5 EGBERN Cc1c(CNC(=O)c2ccoc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000355996815 166370125 /nfs/dbraw/zinc/37/01/25/166370125.db2.gz WJWDJZHZCGVFTB-UHFFFAOYSA-N 0 0 328.246 3.445 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCO1 ZINC000342107378 287171916 /nfs/dbraw/zinc/17/19/16/287171916.db2.gz CBNLYBRVMRIBGY-SNVBAGLBSA-N 0 0 346.305 3.255 10 5 EGBERN COc1cc(O)cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000357515878 166699590 /nfs/dbraw/zinc/69/95/90/166699590.db2.gz JGNAQJITBWUSLQ-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H]1C ZINC000357532826 166703919 /nfs/dbraw/zinc/70/39/19/166703919.db2.gz HWPFQBUTUSQRRD-BDAKNGLRSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1ccncc1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357830088 166786651 /nfs/dbraw/zinc/78/66/51/166786651.db2.gz CYSBREHBMRTBGK-UHFFFAOYSA-N 0 0 325.324 3.317 10 5 EGBERN Nc1c(C(=O)NCc2ccc(C3CC3)cc2F)cc(F)cc1[N+](=O)[O-] ZINC000358891783 166996111 /nfs/dbraw/zinc/99/61/11/166996111.db2.gz CCRKJHLUXHWXOX-UHFFFAOYSA-N 0 0 347.321 3.263 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000359080021 167061291 /nfs/dbraw/zinc/06/12/91/167061291.db2.gz DEJNFVGQPRYZFT-UHFFFAOYSA-N 0 0 334.763 3.311 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cncc(F)c1 ZINC000359103649 167067698 /nfs/dbraw/zinc/06/76/98/167067698.db2.gz UISKGMZASKGGCB-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc(CN3CCOCC3)c2)n1 ZINC000359110047 167069399 /nfs/dbraw/zinc/06/93/99/167069399.db2.gz QLFULAZVURBGQI-UHFFFAOYSA-N 0 0 342.399 3.182 10 5 EGBERN CC(=O)c1ccc(Nc2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000359307333 167121731 /nfs/dbraw/zinc/12/17/31/167121731.db2.gz YDIBYIUFTBWVBD-UHFFFAOYSA-N 0 0 325.324 3.278 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000359485268 167169312 /nfs/dbraw/zinc/16/93/12/167169312.db2.gz SPWYOAFHPLEXQH-UHFFFAOYSA-N 0 0 332.404 3.381 10 5 EGBERN Cc1cc(C(=O)NCc2cc(=O)[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000359783686 167230392 /nfs/dbraw/zinc/23/03/92/167230392.db2.gz CQEPQCCUXBGZSK-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3Cc4ccc(O)cc4C4(CC4)C3)nc2c1 ZINC000360231299 167277268 /nfs/dbraw/zinc/27/72/68/167277268.db2.gz QZDIPIOJKGFPNI-UHFFFAOYSA-N 0 0 336.351 3.229 10 5 EGBERN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000360466207 167336219 /nfs/dbraw/zinc/33/62/19/167336219.db2.gz JSONXYRBMFZBFL-LJQANCHMSA-N 0 0 339.395 3.475 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360625594 167372511 /nfs/dbraw/zinc/37/25/11/167372511.db2.gz BDDJRUPLKCXCKT-ZDUSSCGKSA-N 0 0 343.358 3.144 10 5 EGBERN Cn1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000360684392 167386626 /nfs/dbraw/zinc/38/66/26/167386626.db2.gz DJMKYSASIPJJSQ-CQSZACIVSA-N 0 0 331.376 3.237 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361221643 167559584 /nfs/dbraw/zinc/55/95/84/167559584.db2.gz SEICMRDVWBNCIH-CYBMUJFWSA-N 0 0 335.404 3.058 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000361875072 167682142 /nfs/dbraw/zinc/68/21/42/167682142.db2.gz XXIZJUVDFUWXFL-SNVBAGLBSA-N 0 0 335.310 3.247 10 5 EGBERN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000364868871 167994535 /nfs/dbraw/zinc/99/45/35/167994535.db2.gz HTYMRYNTXCOOTK-VIFPVBQESA-N 0 0 337.330 3.364 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000367843695 168276936 /nfs/dbraw/zinc/27/69/36/168276936.db2.gz SQYCDAQXSNVFCV-INIZCTEOSA-N 0 0 332.381 3.437 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])s1 ZINC000367961079 168289465 /nfs/dbraw/zinc/28/94/65/168289465.db2.gz DSPMBRLNJASCCF-CHWSQXEVSA-N 0 0 332.381 3.306 10 5 EGBERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000171507741 227115290 /nfs/dbraw/zinc/11/52/90/227115290.db2.gz ZFFOUFGGKNLOKE-ZDUSSCGKSA-N 0 0 349.778 3.351 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000124032830 222367648 /nfs/dbraw/zinc/36/76/48/222367648.db2.gz JNQZCUQIHKBXOV-AWEZNQCLSA-N 0 0 329.356 3.078 10 5 EGBERN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174345127 265043724 /nfs/dbraw/zinc/04/37/24/265043724.db2.gz OSBYERTXCTVXBQ-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000175676355 265128924 /nfs/dbraw/zinc/12/89/24/265128924.db2.gz ARCHGEWUFVJVLW-GHMZBOCLSA-N 0 0 344.820 3.059 10 5 EGBERN COc1ccc2c(CC(=O)Nc3ccc([N+](=O)[O-])c(C)n3)coc2c1 ZINC000175674112 265128935 /nfs/dbraw/zinc/12/89/35/265128935.db2.gz PKSLHFFKXSPUFZ-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000175678246 265129013 /nfs/dbraw/zinc/12/90/13/265129013.db2.gz QOTNLBROYNTIBT-GHMZBOCLSA-N 0 0 344.820 3.059 10 5 EGBERN CC[C@@H](NC(=O)NCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175916904 265144656 /nfs/dbraw/zinc/14/46/56/265144656.db2.gz XLIDCQGRBAMZJA-MRXNPFEDSA-N 0 0 335.404 3.304 10 5 EGBERN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc2ccccc21 ZINC000176672088 265196063 /nfs/dbraw/zinc/19/60/63/265196063.db2.gz SXVCRJZKFDSLSS-UHFFFAOYSA-N 0 0 342.376 3.227 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176703943 265197730 /nfs/dbraw/zinc/19/77/30/265197730.db2.gz FYCVTIQAQJEDSU-GJZGRUSLSA-N 0 0 337.420 3.142 10 5 EGBERN O=[N+]([O-])c1ncccc1OCc1ccc(Br)c(F)c1 ZINC000176727040 265198720 /nfs/dbraw/zinc/19/87/20/265198720.db2.gz GHPATANIWMIKTO-UHFFFAOYSA-N 0 0 327.109 3.470 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000177085404 265229508 /nfs/dbraw/zinc/22/95/08/265229508.db2.gz DIZGEWRMVBBVNP-UHFFFAOYSA-N 0 0 340.713 3.499 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177121759 265232865 /nfs/dbraw/zinc/23/28/65/265232865.db2.gz RARPMWCHNGLQKL-UHFFFAOYSA-N 0 0 340.713 3.499 10 5 EGBERN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000177710369 265273322 /nfs/dbraw/zinc/27/33/22/265273322.db2.gz QAKDOVDZFIZDPG-LSDHHAIUSA-N 0 0 335.404 3.012 10 5 EGBERN CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177837290 265280906 /nfs/dbraw/zinc/28/09/06/265280906.db2.gz VLTJPIJQKGOILH-LBPRGKRZSA-N 0 0 329.356 3.188 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2cccs2)c1C ZINC000178279432 265305417 /nfs/dbraw/zinc/30/54/17/265305417.db2.gz QXGOPUXSKJLQLX-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](CO)CC(C)C ZINC000186667630 265542895 /nfs/dbraw/zinc/54/28/95/265542895.db2.gz IEZSOTHQZKRKIE-RDJZCZTQSA-N 0 0 336.432 3.029 10 5 EGBERN CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC000188582664 265688877 /nfs/dbraw/zinc/68/88/77/265688877.db2.gz VEIASEVQZYHOAW-UHFFFAOYSA-N 0 0 346.408 3.224 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)n1 ZINC000191710605 265926714 /nfs/dbraw/zinc/92/67/14/265926714.db2.gz AWHQADOOOBHFIJ-BLLLJJGKSA-N 0 0 342.399 3.255 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)n1 ZINC000191819180 265932919 /nfs/dbraw/zinc/93/29/19/265932919.db2.gz BYGMMBUMTNVHKB-UHFFFAOYSA-N 0 0 346.391 3.224 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195068799 266158847 /nfs/dbraw/zinc/15/88/47/266158847.db2.gz UCEFLQAQKURJIB-OAHLLOKOSA-N 0 0 345.443 3.203 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195436403 266181389 /nfs/dbraw/zinc/18/13/89/266181389.db2.gz PRARPGDUMRSCQR-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268478515 266283570 /nfs/dbraw/zinc/28/35/70/266283570.db2.gz ZQUSUGKMWCKQJP-IINYFYTJSA-N 0 0 334.397 3.207 10 5 EGBERN CCc1nnc(C)cc1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000273653383 267075747 /nfs/dbraw/zinc/07/57/47/267075747.db2.gz WTTDSEALUPXHGQ-HNNXBMFYSA-N 0 0 328.372 3.137 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(CCC(F)(F)F)no3)c2c1 ZINC000273736277 267094410 /nfs/dbraw/zinc/09/44/10/267094410.db2.gz PSAOZENEOIZHIH-UHFFFAOYSA-N 0 0 327.222 3.016 10 5 EGBERN CCc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000274089339 267178813 /nfs/dbraw/zinc/17/88/13/267178813.db2.gz RPCQBDZMCYXLIY-UHFFFAOYSA-N 0 0 334.763 3.470 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000275782852 267425697 /nfs/dbraw/zinc/42/56/97/267425697.db2.gz JSWKOUHXSNZAHU-ZBFHGGJFSA-N 0 0 338.791 3.244 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nc(C)cs2)CCC1 ZINC000277561943 267817830 /nfs/dbraw/zinc/81/78/30/267817830.db2.gz KFQJZFGHUMYMGH-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN CCCn1ccnc1CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278431547 268010936 /nfs/dbraw/zinc/01/09/36/268010936.db2.gz JLMIGQPVAJJGMP-UHFFFAOYSA-N 0 0 342.403 3.147 10 5 EGBERN O=[N+]([O-])c1cnccc1Oc1ccccc1I ZINC000042418458 275126455 /nfs/dbraw/zinc/12/64/55/275126455.db2.gz LLYGKVDCXRFIEF-UHFFFAOYSA-N 0 0 342.092 3.387 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H](CO)c2cccc(C(F)(F)F)c2)s1 ZINC000601208780 460750608 /nfs/dbraw/zinc/75/06/08/460750608.db2.gz KSGXKYFTCZZLIM-SECBINFHSA-N 0 0 333.291 3.216 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1O ZINC000239475378 273501353 /nfs/dbraw/zinc/50/13/53/273501353.db2.gz ANVDDMBRGZIHKD-RHSMWYFYSA-N 0 0 329.400 3.376 10 5 EGBERN COc1ccc(-c2nnc(-n3cc([N+](=O)[O-])cn3)c3ccccc32)cc1 ZINC000131296461 274104218 /nfs/dbraw/zinc/10/42/18/274104218.db2.gz IXCGPHZALSDGRL-UHFFFAOYSA-N 0 0 347.334 3.399 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000342026486 274781613 /nfs/dbraw/zinc/78/16/13/274781613.db2.gz UKMQJQKXBCFPEJ-UHFFFAOYSA-N 0 0 339.307 3.084 10 5 EGBERN COc1ccc([C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000045101661 275132908 /nfs/dbraw/zinc/13/29/08/275132908.db2.gz PJMWVCFQQGIDNS-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000103377297 275161785 /nfs/dbraw/zinc/16/17/85/275161785.db2.gz LYQXNWGQAPVIJS-LLVKDONJSA-N 0 0 349.346 3.440 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000110567550 275181241 /nfs/dbraw/zinc/18/12/41/275181241.db2.gz SYZDAIKJYDZWAP-GTNSWQLSSA-N 0 0 326.352 3.267 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cc(C)cc([N+](=O)[O-])c1)n2C ZINC000184453120 275212127 /nfs/dbraw/zinc/21/21/27/275212127.db2.gz OVEFTAAFXDZINM-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976014 275214306 /nfs/dbraw/zinc/21/43/06/275214306.db2.gz GGXWELKZGRPIRR-OCCSQVGLSA-N 0 0 343.383 3.217 10 5 EGBERN CCOC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000194830316 275227417 /nfs/dbraw/zinc/22/74/17/275227417.db2.gz LULODVJKEINBTM-UHFFFAOYSA-N 0 0 342.351 3.010 10 5 EGBERN CC[C@@H](NC(=O)N1CCCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000281869510 275584023 /nfs/dbraw/zinc/58/40/23/275584023.db2.gz MGTINCKYDQFPCM-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CC(c2ccccc2)C1 ZINC000283711048 275746319 /nfs/dbraw/zinc/74/63/19/275746319.db2.gz STQNDFFDQZDKAW-UHFFFAOYSA-N 0 0 325.368 3.101 10 5 EGBERN Cc1noc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000286424278 275998027 /nfs/dbraw/zinc/99/80/27/275998027.db2.gz NFZZDHOIXXXYEQ-SNVBAGLBSA-N 0 0 336.373 3.024 10 5 EGBERN Cc1ccc(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000287313905 276107118 /nfs/dbraw/zinc/10/71/18/276107118.db2.gz VZIFWBKCSBCOSS-NSHDSACASA-N 0 0 333.775 3.372 10 5 EGBERN CCC[C@]1(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000287572322 276134806 /nfs/dbraw/zinc/13/48/06/276134806.db2.gz KDSJNSIEYPVROQ-WBVHZDCISA-N 0 0 335.404 3.304 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288556745 276227680 /nfs/dbraw/zinc/22/76/80/276227680.db2.gz ZDLCFQGGKFVRMW-UHFFFAOYSA-N 0 0 329.356 3.083 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290789412 276541721 /nfs/dbraw/zinc/54/17/21/276541721.db2.gz DNPURKYNAAJYCB-GFCCVEGCSA-N 0 0 333.344 3.074 10 5 EGBERN CC[C@H]1CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000347605485 276653912 /nfs/dbraw/zinc/65/39/12/276653912.db2.gz AKNRZXPYKAVYHH-HIFRSBDPSA-N 0 0 331.416 3.456 10 5 EGBERN CC1(C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)OCCO1 ZINC000292003690 276719678 /nfs/dbraw/zinc/71/96/78/276719678.db2.gz RNFHYCURVYLGAQ-UHFFFAOYSA-N 0 0 343.383 3.122 10 5 EGBERN Cc1c(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000292775206 276872761 /nfs/dbraw/zinc/87/27/61/276872761.db2.gz LLENGSQUGSTTBE-GXTWGEPZSA-N 0 0 325.315 3.412 10 5 EGBERN CC(C)CC(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035818451 277343679 /nfs/dbraw/zinc/34/36/79/277343679.db2.gz AHMVMCGULYWSPN-GOSISDBHSA-N 0 0 327.384 3.374 10 5 EGBERN COc1c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)nn1C ZINC000179320422 277363712 /nfs/dbraw/zinc/36/37/12/277363712.db2.gz BPYDMMFVKARHLR-UHFFFAOYSA-N 0 0 332.404 3.056 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000120541667 277395883 /nfs/dbraw/zinc/39/58/83/277395883.db2.gz GVOCSGYJMCRLHQ-ZDUSSCGKSA-N 0 0 332.381 3.323 10 5 EGBERN C[C@@H]1CSC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342318860 277956412 /nfs/dbraw/zinc/95/64/12/277956412.db2.gz MUXBBNQUIXYOAE-VXNVDRBHSA-N 0 0 334.319 3.095 10 5 EGBERN Cc1sc(C(=O)N2Cc3ccccc3O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355916547 279282780 /nfs/dbraw/zinc/28/27/80/279282780.db2.gz QRROCNVFKGJIKF-SNVBAGLBSA-N 0 0 332.381 3.388 10 5 EGBERN C[C@H](F)CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000356674785 279390576 /nfs/dbraw/zinc/39/05/76/279390576.db2.gz FSRRVLHOMFWAGC-STQMWFEESA-N 0 0 337.395 3.309 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000363731876 280191601 /nfs/dbraw/zinc/19/16/01/280191601.db2.gz CUEMKNFWAZDTCC-HOCLYGCPSA-N 0 0 345.399 3.134 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000266732527 280367915 /nfs/dbraw/zinc/36/79/15/280367915.db2.gz ODEXFGZVFPXTAB-JTQLQIEISA-N 0 0 344.211 3.117 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCc4sc(Cl)cc43)nn21 ZINC000368303068 280382609 /nfs/dbraw/zinc/38/26/09/280382609.db2.gz BMVSCFXTWABVRD-SECBINFHSA-N 0 0 349.803 3.264 10 5 EGBERN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000070039817 288639274 /nfs/dbraw/zinc/63/92/74/288639274.db2.gz KTZUDPAYFYAKBQ-YPMHNXCESA-N 0 0 343.358 3.102 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365319606 290359693 /nfs/dbraw/zinc/35/96/93/290359693.db2.gz KAPLEHJLQKYLFQ-NSHDSACASA-N 0 0 341.367 3.253 10 5 EGBERN COc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000173533907 295082717 /nfs/dbraw/zinc/08/27/17/295082717.db2.gz MLJBQHWWTTWJOQ-OAHLLOKOSA-N 0 0 343.383 3.309 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000357189208 295192496 /nfs/dbraw/zinc/19/24/96/295192496.db2.gz TXBYKGLSHLUVII-HIFRSBDPSA-N 0 0 340.383 3.227 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](CO)C2)nc1-c1ccccc1 ZINC000413599404 309038990 /nfs/dbraw/zinc/03/89/90/309038990.db2.gz BZOSPJKWVICYNQ-DZGCQCFKSA-N 0 0 327.384 3.042 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000054826691 307339160 /nfs/dbraw/zinc/33/91/60/307339160.db2.gz ZATVBYBMADUKDV-UHFFFAOYSA-N 0 0 332.385 3.276 10 5 EGBERN CCc1cccc2c(CC(=O)NCc3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000068092282 307369102 /nfs/dbraw/zinc/36/91/02/307369102.db2.gz BZKAUUJSNITMFX-UHFFFAOYSA-N 0 0 337.379 3.497 10 5 EGBERN O=c1cc(C(F)(F)F)nc(SCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000126967696 307577040 /nfs/dbraw/zinc/57/70/40/307577040.db2.gz GEOFKSCVZDILMN-UHFFFAOYSA-N 0 0 331.275 3.402 10 5 EGBERN C[C@@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000129048544 307608932 /nfs/dbraw/zinc/60/89/32/307608932.db2.gz KRJKYFHYLWXUMN-JTQLQIEISA-N 0 0 337.173 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCc1noc(Cc2ccccc2)n1 ZINC000131420488 307643033 /nfs/dbraw/zinc/64/30/33/307643033.db2.gz ILTKGQMNGBNQFT-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153526193 307775079 /nfs/dbraw/zinc/77/50/79/307775079.db2.gz QDQQZHZXSOQVFZ-NSHDSACASA-N 0 0 332.747 3.181 10 5 EGBERN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161094616 307898366 /nfs/dbraw/zinc/89/83/66/307898366.db2.gz HKNXJQDRLICWPI-RYUDHWBXSA-N 0 0 348.428 3.428 10 5 EGBERN CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)OC(C)(C)C ZINC000161319442 307901574 /nfs/dbraw/zinc/90/15/74/307901574.db2.gz YEAQJPAXQBXWIA-CYBMUJFWSA-N 0 0 336.388 3.143 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000292811853 308068405 /nfs/dbraw/zinc/06/84/05/308068405.db2.gz INWIUQYJZOMHOH-UFBFGSQYSA-N 0 0 347.198 3.399 10 5 EGBERN COCC1(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000293916681 308173570 /nfs/dbraw/zinc/17/35/70/308173570.db2.gz OGNTWRXUZYOFAO-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN C[C@@]12CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000294552491 308231566 /nfs/dbraw/zinc/23/15/66/308231566.db2.gz DTWGXRUTLMJXLY-WCQYABFASA-N 0 0 346.280 3.190 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294569528 308233353 /nfs/dbraw/zinc/23/33/53/308233353.db2.gz MUIUHYDMLSZZLS-IRXDYDNUSA-N 0 0 332.400 3.291 10 5 EGBERN CSC[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000294647682 308241735 /nfs/dbraw/zinc/24/17/35/308241735.db2.gz MROVUAVEJSUXQD-LLVKDONJSA-N 0 0 333.413 3.291 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C2CCC2)cn1 ZINC000294871029 308266342 /nfs/dbraw/zinc/26/63/42/308266342.db2.gz TYCBLMWGZGHMIH-UHFFFAOYSA-N 0 0 327.340 3.275 10 5 EGBERN Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000295921189 308374735 /nfs/dbraw/zinc/37/47/35/308374735.db2.gz ZLQUMBITPDBJGF-JQWIXIFHSA-N 0 0 345.321 3.418 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000297389317 308529558 /nfs/dbraw/zinc/52/95/58/308529558.db2.gz LQLDFEJWXJZMKV-UHFFFAOYSA-N 0 0 332.360 3.338 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1F ZINC000297650732 308553237 /nfs/dbraw/zinc/55/32/37/308553237.db2.gz BCYIGVLJMNDBSM-SMDDNHRTSA-N 0 0 328.290 3.160 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000297697045 308556802 /nfs/dbraw/zinc/55/68/02/308556802.db2.gz MKNNPTGCGYZIOQ-NSHDSACASA-N 0 0 347.346 3.361 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000297886321 308570412 /nfs/dbraw/zinc/57/04/12/308570412.db2.gz VKSHCHCXNQZTLC-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN COc1ccccc1CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301156003 308689992 /nfs/dbraw/zinc/68/99/92/308689992.db2.gz FZGLHESXWXITAH-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccccc1 ZINC000301248181 308693538 /nfs/dbraw/zinc/69/35/38/308693538.db2.gz CFEGDHFVGBGMCV-MRXNPFEDSA-N 0 0 329.331 3.341 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3cccc(Br)c3C2)nc1 ZINC000301282602 308694949 /nfs/dbraw/zinc/69/49/49/308694949.db2.gz LCOFNOGWJZSUKI-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN NC(=O)[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301354967 308697559 /nfs/dbraw/zinc/69/75/59/308697559.db2.gz KMECHWQBEMVDTA-PSASIEDQSA-N 0 0 331.294 3.070 10 5 EGBERN Cc1cnc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000301675833 308710376 /nfs/dbraw/zinc/71/03/76/308710376.db2.gz QIVBIZFEWBBOLL-MRXNPFEDSA-N 0 0 331.347 3.140 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301754456 308713908 /nfs/dbraw/zinc/71/39/08/308713908.db2.gz WVAVDHBKNLXYOV-ZUZCIYMTSA-N 0 0 333.775 3.472 10 5 EGBERN Cc1nc(CNc2ncc([N+](=O)[O-])cc2Br)c(C)s1 ZINC000301832060 308717315 /nfs/dbraw/zinc/71/73/15/308717315.db2.gz IUVFHHIHBQILLS-UHFFFAOYSA-N 0 0 343.206 3.438 10 5 EGBERN Cc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(C)s1 ZINC000301851600 308718374 /nfs/dbraw/zinc/71/83/74/308718374.db2.gz XCOXQZMFGYCMLN-UHFFFAOYSA-N 0 0 348.428 3.418 10 5 EGBERN CC(C)(C)Oc1cc(N2CCC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000301888005 308720180 /nfs/dbraw/zinc/72/01/80/308720180.db2.gz PQMOXNVHFPHQPB-AWEZNQCLSA-N 0 0 345.403 3.205 10 5 EGBERN CC(C)(C)C1CCC(O)(CNc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302013503 308725106 /nfs/dbraw/zinc/72/51/06/308725106.db2.gz BFTULCDAUZRCDK-UHFFFAOYSA-N 0 0 336.432 3.466 10 5 EGBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000302029324 308725949 /nfs/dbraw/zinc/72/59/49/308725949.db2.gz MKARRCIZBRSRNE-UHFFFAOYSA-N 0 0 327.340 3.266 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302159191 308731456 /nfs/dbraw/zinc/73/14/56/308731456.db2.gz GGWKDHVZRGLXQC-UHFFFAOYSA-N 0 0 349.778 3.288 10 5 EGBERN COc1cc(OC)c2ncnc(NCc3ccccc3[N+](=O)[O-])c2c1 ZINC000302861768 308748249 /nfs/dbraw/zinc/74/82/49/308748249.db2.gz QJPQOKDQULRNHY-UHFFFAOYSA-N 0 0 340.339 3.167 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[C@H](C)C1 ZINC000331147128 308802520 /nfs/dbraw/zinc/80/25/20/308802520.db2.gz ZPNGZTLSHKCPGI-JQWIXIFHSA-N 0 0 326.418 3.242 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412330909 308981184 /nfs/dbraw/zinc/98/11/84/308981184.db2.gz UXTSWJCEOFBADG-MJGOQNOKSA-N 0 0 342.370 3.481 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412330658 308981218 /nfs/dbraw/zinc/98/12/18/308981218.db2.gz HAGUZTSEHPWGJK-VQIMIIECSA-N 0 0 342.370 3.481 10 5 EGBERN Cc1sc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000412729642 309000223 /nfs/dbraw/zinc/00/02/23/309000223.db2.gz MFNKYPUGWDPANA-LBPRGKRZSA-N 0 0 345.380 3.168 10 5 EGBERN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413110996 309016683 /nfs/dbraw/zinc/01/66/83/309016683.db2.gz SXZCJLXSWOGYRH-YJBOKZPZSA-N 0 0 326.327 3.369 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413222153 309022262 /nfs/dbraw/zinc/02/22/62/309022262.db2.gz KCXZCUPUPQWCPX-HZPDHXFCSA-N 0 0 329.400 3.376 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413221014 309022308 /nfs/dbraw/zinc/02/23/08/309022308.db2.gz RDROAHZHZJSXIO-GFCCVEGCSA-N 0 0 348.353 3.151 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCO[C@@H](c4cccs4)C3)nc2c1 ZINC000413352642 309028382 /nfs/dbraw/zinc/02/83/82/309028382.db2.gz NPAAMAJGTGPYGD-QMTHXVAHSA-N 0 0 344.396 3.287 10 5 EGBERN CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC000415613934 309138726 /nfs/dbraw/zinc/13/87/26/309138726.db2.gz ARGZYLGDTWOOCZ-JKSUJKDBSA-N 0 0 325.368 3.455 10 5 EGBERN CO[C@@](C)([C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000415921623 309148898 /nfs/dbraw/zinc/14/88/98/309148898.db2.gz RWCPOEWSIGTQLI-HWPZZCPQSA-N 0 0 340.807 3.490 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416563651 309173749 /nfs/dbraw/zinc/17/37/49/309173749.db2.gz QAPMOTLEBBKSFF-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CSCc2cn(CC3CC3)nn2)c(F)c1 ZINC000419590163 309270112 /nfs/dbraw/zinc/27/01/12/309270112.db2.gz SYDIFRDIGSVNRW-UHFFFAOYSA-N 0 0 340.355 3.308 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000421673765 309334078 /nfs/dbraw/zinc/33/40/78/309334078.db2.gz YMKMOILRSHNLHF-ZMSDIMECSA-N 0 0 334.416 3.237 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000421676190 309334124 /nfs/dbraw/zinc/33/41/24/309334124.db2.gz NQEGOVOPNPVPIO-GHMZBOCLSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425439406 309480438 /nfs/dbraw/zinc/48/04/38/309480438.db2.gz BOERMXKYQSWIRU-SJLPKXTDSA-N 0 0 343.358 3.074 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426612229 309510298 /nfs/dbraw/zinc/51/02/98/309510298.db2.gz XNCNTOYKPRKHTP-LBPRGKRZSA-N 0 0 327.331 3.314 10 5 EGBERN O=C([O-])[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000426711345 309513445 /nfs/dbraw/zinc/51/34/45/309513445.db2.gz ZQVSUWBMLGVARP-CQSZACIVSA-N 0 0 348.786 3.281 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000427332326 309526956 /nfs/dbraw/zinc/52/69/56/309526956.db2.gz SXCCEPJCBSRFNQ-CABZTGNLSA-N 0 0 346.305 3.406 10 5 EGBERN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1(C)CCCC1 ZINC000428660724 309557965 /nfs/dbraw/zinc/55/79/65/309557965.db2.gz OBEASMVBXVSOIO-UHFFFAOYSA-N 0 0 329.356 3.253 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000431466509 309633634 /nfs/dbraw/zinc/63/36/34/309633634.db2.gz VINRAXRCIBUZQQ-DOPJRALCSA-N 0 0 339.395 3.173 10 5 EGBERN Cn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c2cc(F)ccc21 ZINC000432102598 309651785 /nfs/dbraw/zinc/65/17/85/309651785.db2.gz LBGZTZZPFZTFOV-UHFFFAOYSA-N 0 0 341.342 3.198 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4cccc(Cl)c4)C3)nn21 ZINC000432134834 309652925 /nfs/dbraw/zinc/65/29/25/309652925.db2.gz WGFLSHBNMVIHJV-LBPRGKRZSA-N 0 0 343.774 3.285 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000433547589 309690813 /nfs/dbraw/zinc/69/08/13/309690813.db2.gz HWDZHIIPRXKVMN-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN CC(C)N(CCCn1cc([N+](=O)[O-])c(C2CC2)n1)CC(F)(F)F ZINC000436196652 309749305 /nfs/dbraw/zinc/74/93/05/309749305.db2.gz WEVPZEDMZFVBRA-UHFFFAOYSA-N 0 0 334.342 3.332 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000437387375 309791738 /nfs/dbraw/zinc/79/17/38/309791738.db2.gz HTWZIKAZHOSELQ-MRXNPFEDSA-N 0 0 332.331 3.160 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438149462 309808076 /nfs/dbraw/zinc/80/80/76/309808076.db2.gz UFQRTYBJSRUNIR-PEBVRCNWSA-N 0 0 326.352 3.278 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000441716037 309876106 /nfs/dbraw/zinc/87/61/06/309876106.db2.gz ILOMBLPJRYCLCT-UGFHNGPFSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766574 309907833 /nfs/dbraw/zinc/90/78/33/309907833.db2.gz XKSMYTVIOGUBOT-ZBFHGGJFSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000446488737 309962699 /nfs/dbraw/zinc/96/26/99/309962699.db2.gz QCYGCKBHYGQULX-KBPBESRZSA-N 0 0 333.388 3.184 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000447615982 309984439 /nfs/dbraw/zinc/98/44/39/309984439.db2.gz UVCKOYVTTCLQIK-UHFFFAOYSA-N 0 0 343.358 3.278 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cc(Cl)cc4c3OCC4)nc2c1 ZINC000447688709 309985803 /nfs/dbraw/zinc/98/58/03/309985803.db2.gz HSYKSGUKAPFDTD-UHFFFAOYSA-N 0 0 344.758 3.093 10 5 EGBERN CC1(c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000448409503 310003744 /nfs/dbraw/zinc/00/37/44/310003744.db2.gz ACFIMJZPHLWFEL-UHFFFAOYSA-N 0 0 329.356 3.018 10 5 EGBERN CC1(c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)no2)CCCC1 ZINC000448409645 310003827 /nfs/dbraw/zinc/00/38/27/310003827.db2.gz HYFUBGPWKXORRO-UHFFFAOYSA-N 0 0 333.319 3.228 10 5 EGBERN Cc1c(C(=O)Nc2cc(C3(C)CCCC3)on2)cccc1[N+](=O)[O-] ZINC000448417427 310003912 /nfs/dbraw/zinc/00/39/12/310003912.db2.gz YYWLKLFPABAXDZ-UHFFFAOYSA-N 0 0 329.356 3.397 10 5 EGBERN COC(=O)[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000448949363 310025474 /nfs/dbraw/zinc/02/54/74/310025474.db2.gz INWVIDFHBDNUAD-LBPRGKRZSA-N 0 0 347.396 3.108 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)NCC3)cc1[N+](=O)[O-] ZINC000449149258 310040471 /nfs/dbraw/zinc/04/04/71/310040471.db2.gz MYQSVKYGUVPBSP-CYBMUJFWSA-N 0 0 339.395 3.291 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449741604 310083489 /nfs/dbraw/zinc/08/34/89/310083489.db2.gz LEZYLQTYYQKYCC-BHYGNILZSA-N 0 0 326.400 3.053 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000449913801 310093871 /nfs/dbraw/zinc/09/38/71/310093871.db2.gz KBHNDPJVOACUHF-GHMZBOCLSA-N 0 0 345.321 3.020 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000450384321 310119472 /nfs/dbraw/zinc/11/94/72/310119472.db2.gz AVHPHJLDOKMRBQ-LLVKDONJSA-N 0 0 328.315 3.300 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000450467087 310124334 /nfs/dbraw/zinc/12/43/34/310124334.db2.gz CCAVGPHGWHKQBO-SDDRHHMPSA-N 0 0 331.372 3.154 10 5 EGBERN CCOC(=O)c1cc(NCCCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000450550993 310129732 /nfs/dbraw/zinc/12/97/32/310129732.db2.gz CMZNVEXUTGMZJP-UHFFFAOYSA-N 0 0 336.388 3.390 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC4(CCC(O)CC4)CC3)c21 ZINC000450574858 310131034 /nfs/dbraw/zinc/13/10/34/310131034.db2.gz CJHUEDXSOKOMFE-UHFFFAOYSA-N 0 0 342.399 3.060 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000450813162 310143632 /nfs/dbraw/zinc/14/36/32/310143632.db2.gz OGJUASDOZSEZMG-JTQLQIEISA-N 0 0 346.305 3.301 10 5 EGBERN CC(C)(C)C1CC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000452153671 310215181 /nfs/dbraw/zinc/21/51/81/310215181.db2.gz RUHWYGKZSBSZQH-UHFFFAOYSA-N 0 0 332.400 3.499 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c(F)cccc21 ZINC000452190219 310217738 /nfs/dbraw/zinc/21/77/38/310217738.db2.gz HWDYXMZJOZWFBC-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000452503670 310230445 /nfs/dbraw/zinc/23/04/45/310230445.db2.gz UBIOIHCUFXHVHL-CZUORRHYSA-N 0 0 343.427 3.456 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]1C1CC1 ZINC000452505030 310230606 /nfs/dbraw/zinc/23/06/06/310230606.db2.gz WEWDHHAXOOPNJF-CQSZACIVSA-N 0 0 329.381 3.343 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2c(F)cccc21 ZINC000452576763 310232856 /nfs/dbraw/zinc/23/28/56/310232856.db2.gz UYWNLXFDFZLRLE-KRWDZBQOSA-N 0 0 328.343 3.470 10 5 EGBERN COc1cc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000452598793 310233936 /nfs/dbraw/zinc/23/39/36/310233936.db2.gz SEMLUFJMDBBYIN-MOMAJJCNSA-N 0 0 342.395 3.196 10 5 EGBERN Cc1cc(=O)[nH]cc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452844594 310245125 /nfs/dbraw/zinc/24/51/25/310245125.db2.gz IZTKCWIHNIXFAQ-CQSZACIVSA-N 0 0 341.367 3.024 10 5 EGBERN C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCO1 ZINC000453232706 310265635 /nfs/dbraw/zinc/26/56/35/310265635.db2.gz HIXCGCKLLQHZRV-QWRGUYRKSA-N 0 0 344.371 3.285 10 5 EGBERN Cc1cc(C)n([C@H](C)c2nc(-c3cccc([N+](=O)[O-])c3C)no2)n1 ZINC000453263395 310267820 /nfs/dbraw/zinc/26/78/20/310267820.db2.gz TZNNLVIYMIXFAH-GFCCVEGCSA-N 0 0 327.344 3.376 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000455157122 310347725 /nfs/dbraw/zinc/34/77/25/310347725.db2.gz DLMCLIJOFQJGNS-OIISXLGYSA-N 0 0 347.415 3.451 10 5 EGBERN CC[C@H](NC(=O)NCc1ccnc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000455228433 310351158 /nfs/dbraw/zinc/35/11/58/310351158.db2.gz VPUKHCGPQKDRHJ-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC(C(C)(C)C)C2)c(C)c([N+](=O)[O-])c1 ZINC000455260046 310352762 /nfs/dbraw/zinc/35/27/62/310352762.db2.gz UOBLGMJVFDISTC-UHFFFAOYSA-N 0 0 349.387 3.200 10 5 EGBERN CC[C@H](NC(=O)NCCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000455325640 310355954 /nfs/dbraw/zinc/35/59/54/310355954.db2.gz JOEXYLXAYGBVLB-AWEZNQCLSA-N 0 0 348.428 3.353 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455495811 310363849 /nfs/dbraw/zinc/36/38/49/310363849.db2.gz ASXNAOZVJOWITD-KNXALSJPSA-N 0 0 335.404 3.159 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@@H]1C1CC1 ZINC000456181670 310392411 /nfs/dbraw/zinc/39/24/11/310392411.db2.gz OMOWSWVNUQDBPZ-OAHLLOKOSA-N 0 0 331.397 3.044 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000456312311 310397927 /nfs/dbraw/zinc/39/79/27/310397927.db2.gz KYUNFHGHXMYORP-JSGCOSHPSA-N 0 0 347.396 3.010 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456683449 310417735 /nfs/dbraw/zinc/41/77/35/310417735.db2.gz BFZLRQCFOWPQEW-INIZCTEOSA-N 0 0 338.791 3.199 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456873452 310426906 /nfs/dbraw/zinc/42/69/06/310426906.db2.gz XGTTXVFCZQXRGE-ONGXEEELSA-N 0 0 328.290 3.390 10 5 EGBERN COC[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457037868 310433579 /nfs/dbraw/zinc/43/35/79/310433579.db2.gz MHPDCASTJFQWCB-OAHLLOKOSA-N 0 0 349.431 3.062 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000457084996 310436397 /nfs/dbraw/zinc/43/63/97/310436397.db2.gz NNESEBIRGCWANY-LLVKDONJSA-N 0 0 326.780 3.137 10 5 EGBERN CCC1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000457306325 310446957 /nfs/dbraw/zinc/44/69/57/310446957.db2.gz KBMVLXVMSURNLV-CYBMUJFWSA-N 0 0 331.416 3.313 10 5 EGBERN CC[C@H](CC(F)F)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000457610132 310463105 /nfs/dbraw/zinc/46/31/05/310463105.db2.gz YGBCOJFJESJBKV-MRVPVSSYSA-N 0 0 330.287 3.001 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000457622407 310463664 /nfs/dbraw/zinc/46/36/64/310463664.db2.gz MBUQRDRVSHHVED-UHFFFAOYSA-N 0 0 327.331 3.218 10 5 EGBERN COc1cccc(C(=O)NC2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000458184695 310490180 /nfs/dbraw/zinc/49/01/80/310490180.db2.gz UIIUJVFTRUQJQF-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000458195584 310490814 /nfs/dbraw/zinc/49/08/14/310490814.db2.gz FZLKFNIZHSSUBM-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000458340808 310499058 /nfs/dbraw/zinc/49/90/58/310499058.db2.gz BZTGQWCFWROYAY-VIFPVBQESA-N 0 0 342.417 3.015 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000458885717 310524981 /nfs/dbraw/zinc/52/49/81/310524981.db2.gz HFGAEYJUHHPMPQ-UONOGXRCSA-N 0 0 335.404 3.114 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460233665 310581236 /nfs/dbraw/zinc/58/12/36/310581236.db2.gz VQRPIXJRHYGOFE-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN CCN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000461888430 310593343 /nfs/dbraw/zinc/59/33/43/310593343.db2.gz YTKGFOYFRHZBFV-MRXNPFEDSA-N 0 0 340.379 3.441 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H](C)OC)C(C)C ZINC000462625788 310602892 /nfs/dbraw/zinc/60/28/92/310602892.db2.gz XYYHCDCNEHAIBW-GOEBONIOSA-N 0 0 336.432 3.435 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000465621641 310635017 /nfs/dbraw/zinc/63/50/17/310635017.db2.gz AXRPASYKOXXYQT-IAGOWNOFSA-N 0 0 346.431 3.275 10 5 EGBERN COc1cc(N(C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000467794143 310678166 /nfs/dbraw/zinc/67/81/66/310678166.db2.gz ZIKPOPORVPWAJX-SFHVURJKSA-N 0 0 346.358 3.493 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000471586501 310739474 /nfs/dbraw/zinc/73/94/74/310739474.db2.gz CTTFROMWJQCQMM-ONGXEEELSA-N 0 0 331.294 3.077 10 5 EGBERN C[C@@H](CC(C)(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000475375384 310811875 /nfs/dbraw/zinc/81/18/75/310811875.db2.gz TVMSKSBMOITMGE-AWEZNQCLSA-N 0 0 333.432 3.316 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000477273225 310842317 /nfs/dbraw/zinc/84/23/17/310842317.db2.gz VKYUBNZOSSNJPW-ZDUSSCGKSA-N 0 0 346.770 3.290 10 5 EGBERN COc1cc(C(=O)N[C@H](C)Cc2ccccc2F)cc([N+](=O)[O-])c1C ZINC000479659883 310880764 /nfs/dbraw/zinc/88/07/64/310880764.db2.gz BVNQJOWVVXTVNJ-LLVKDONJSA-N 0 0 346.358 3.412 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485685764 310980740 /nfs/dbraw/zinc/98/07/40/310980740.db2.gz YXVLYIMEUBHCMX-OCCSQVGLSA-N 0 0 348.305 3.482 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(O)c(Cl)c1 ZINC000486983831 311005540 /nfs/dbraw/zinc/00/55/40/311005540.db2.gz DBAUVXSSMVUFQB-UHFFFAOYSA-N 0 0 342.685 3.413 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCc3ccc(F)c(F)c3C2)c1 ZINC000487177225 311013992 /nfs/dbraw/zinc/01/39/92/311013992.db2.gz CWWDUNWYGSTOOZ-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN CC[C@@H](NC(=O)N1CC(C)(C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000487429354 311023172 /nfs/dbraw/zinc/02/31/72/311023172.db2.gz JFTQMQAMHVGICW-SWLSCSKDSA-N 0 0 335.404 3.255 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)c(F)c2C1 ZINC000487661749 311032942 /nfs/dbraw/zinc/03/29/42/311032942.db2.gz PFFBZPMBNPOKAG-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN Cc1ccc2c(c1)nc(CNc1c3ccccc3ncc1[N+](=O)[O-])n2C ZINC000487734296 311036019 /nfs/dbraw/zinc/03/60/19/311036019.db2.gz WTTHOAZQVMUTTP-UHFFFAOYSA-N 0 0 347.378 3.372 10 5 EGBERN Cc1ccc2nc(CNc3c4ccccc4ncc3[N+](=O)[O-])cn2c1 ZINC000487750181 311036417 /nfs/dbraw/zinc/03/64/17/311036417.db2.gz LSMCBSBFOFMTCV-UHFFFAOYSA-N 0 0 333.351 3.133 10 5 EGBERN C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000487905387 311042220 /nfs/dbraw/zinc/04/22/20/311042220.db2.gz HHVPJJGMRHCBMW-NSHDSACASA-N 0 0 337.335 3.467 10 5 EGBERN CC(=O)NC1CCC(N(C)c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488060804 311049547 /nfs/dbraw/zinc/04/95/47/311049547.db2.gz AJMDOKXNELSWDE-UHFFFAOYSA-N 0 0 342.399 3.027 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000488068663 311049875 /nfs/dbraw/zinc/04/98/75/311049875.db2.gz BGDYWHMEKIASHA-JXFKEZNVSA-N 0 0 349.390 3.143 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@@H]1CCCC[C@H]1O ZINC000488092849 311051085 /nfs/dbraw/zinc/05/10/85/311051085.db2.gz SCQYTXMTJAJDHK-SUMWQHHRSA-N 0 0 329.400 3.308 10 5 EGBERN CCCCn1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])c(C)n1 ZINC000488101419 311051406 /nfs/dbraw/zinc/05/14/06/311051406.db2.gz ULTRFOLHOXJSLZ-UHFFFAOYSA-N 0 0 339.399 3.482 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000488326560 311061095 /nfs/dbraw/zinc/06/10/95/311061095.db2.gz VCLMITLJHBZFMF-UHFFFAOYSA-N 0 0 342.380 3.238 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000488412749 311064298 /nfs/dbraw/zinc/06/42/98/311064298.db2.gz BNIQLLLYILKOJB-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C(F)(F)F)O1 ZINC000488691758 311075134 /nfs/dbraw/zinc/07/51/34/311075134.db2.gz XPPAEIKABDFTAE-NSHDSACASA-N 0 0 344.293 3.017 10 5 EGBERN CCNc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000488884846 311083358 /nfs/dbraw/zinc/08/33/58/311083358.db2.gz CGPZKDKVEZJLMP-UHFFFAOYSA-N 0 0 343.318 3.294 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000493357927 311364579 /nfs/dbraw/zinc/36/45/79/311364579.db2.gz HIVOWZDXCRIOMN-HUUCEWRRSA-N 0 0 346.408 3.046 10 5 EGBERN COc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000502734461 311971792 /nfs/dbraw/zinc/97/17/92/311971792.db2.gz OCOBCZMJPPZOTJ-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN CC(C)Oc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508617259 312097971 /nfs/dbraw/zinc/09/79/71/312097971.db2.gz GRIPORYEKNYQOZ-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000509533822 312119864 /nfs/dbraw/zinc/11/98/64/312119864.db2.gz UOCUSJKYUFDHAQ-HNNXBMFYSA-N 0 0 349.431 3.086 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000510879360 312150031 /nfs/dbraw/zinc/15/00/31/312150031.db2.gz FILSFSVAPOZKSF-AWEZNQCLSA-N 0 0 327.384 3.158 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCc2ccccc2C1 ZINC000514686435 312238855 /nfs/dbraw/zinc/23/88/55/312238855.db2.gz BKOSBKDASYNZRH-CYBMUJFWSA-N 0 0 346.333 3.089 10 5 EGBERN CC1(C)C(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000516889434 312348303 /nfs/dbraw/zinc/34/83/03/312348303.db2.gz BIJRYBCTWUDUBT-UHFFFAOYSA-N 0 0 329.400 3.417 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000517253275 312372282 /nfs/dbraw/zinc/37/22/82/312372282.db2.gz SUQLXRALPGFRDK-UHFFFAOYSA-N 0 0 343.383 3.338 10 5 EGBERN CCOC(=O)c1ccnc(N2CCc3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC000524105992 312644682 /nfs/dbraw/zinc/64/46/82/312644682.db2.gz QDWLJRUZYVUCIX-UHFFFAOYSA-N 0 0 349.293 3.139 10 5 EGBERN CC[C@H](O)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000525123233 312696666 /nfs/dbraw/zinc/69/66/66/312696666.db2.gz UZQSAIZGEUNQIV-INIZCTEOSA-N 0 0 330.384 3.381 10 5 EGBERN COCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000526787172 312799703 /nfs/dbraw/zinc/79/97/03/312799703.db2.gz CASZSLYMNWHLNZ-MRXNPFEDSA-N 0 0 343.383 3.278 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000527471455 312867210 /nfs/dbraw/zinc/86/72/10/312867210.db2.gz YDLLBQGSYRGJNF-UWVGGRQHSA-N 0 0 345.321 3.425 10 5 EGBERN O=C(Nc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531628569 313692596 /nfs/dbraw/zinc/69/25/96/313692596.db2.gz KJSDBFYBHGZUGZ-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628393 313692764 /nfs/dbraw/zinc/69/27/64/313692764.db2.gz YBZUUFHYUZDZKF-BONVTDFDSA-N 0 0 349.774 3.149 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000531633157 313693151 /nfs/dbraw/zinc/69/31/51/313693151.db2.gz VJBXTUHTROROKB-CYBMUJFWSA-N 0 0 340.383 3.081 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(OCC2CC2)c1 ZINC000531633197 313693380 /nfs/dbraw/zinc/69/33/80/313693380.db2.gz XYADETGZTXHWMT-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)n1 ZINC000531878588 313724722 /nfs/dbraw/zinc/72/47/22/313724722.db2.gz CKXAVTNHAJSOAZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531881481 313725725 /nfs/dbraw/zinc/72/57/25/313725725.db2.gz DQYQHFRLIVRSSH-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532134017 313758940 /nfs/dbraw/zinc/75/89/40/313758940.db2.gz MOUNQPLCXIZXCW-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCc3ccc(C(C)=O)cc3CC2)c1 ZINC000534418641 313980988 /nfs/dbraw/zinc/98/09/88/313980988.db2.gz DSQYRQZCLGSEKT-UHFFFAOYSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC000536002086 314087270 /nfs/dbraw/zinc/08/72/70/314087270.db2.gz HIGVROHXSIWPMI-UHFFFAOYSA-N 0 0 343.358 3.039 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000536779352 314145248 /nfs/dbraw/zinc/14/52/48/314145248.db2.gz OUADJLIOKBEOGR-YJBOKZPZSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc(CCCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000537578075 314190088 /nfs/dbraw/zinc/19/00/88/314190088.db2.gz HZTLUIKMTHFVOP-UHFFFAOYSA-N 0 0 345.424 3.267 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)n1 ZINC000541935892 314506824 /nfs/dbraw/zinc/50/68/24/314506824.db2.gz JGVVLHMUSOZXEI-BBRMVZONSA-N 0 0 327.384 3.435 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000547767268 314935763 /nfs/dbraw/zinc/93/57/63/314935763.db2.gz SOPZTJQQPFTYDO-UHFFFAOYSA-N 0 0 341.358 3.214 10 5 EGBERN COc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1C ZINC000548146982 314978062 /nfs/dbraw/zinc/97/80/62/314978062.db2.gz YVYCKYQYHXBGJQ-UHFFFAOYSA-N 0 0 328.328 3.209 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C3CCOCC3)CC2)c1 ZINC000548807716 315050191 /nfs/dbraw/zinc/05/01/91/315050191.db2.gz ALXAMGGRSSULMK-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C(F)(F)F ZINC000549158779 315079135 /nfs/dbraw/zinc/07/91/35/315079135.db2.gz BVLGLLSMCIUVQY-UHFFFAOYSA-N 0 0 335.282 3.313 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000549547097 315096492 /nfs/dbraw/zinc/09/64/92/315096492.db2.gz RTLNRXFRPLCYOD-ZDUSSCGKSA-N 0 0 341.358 3.357 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000550591755 315130454 /nfs/dbraw/zinc/13/04/54/315130454.db2.gz JYMCPDPQBZDEMU-ZDUSSCGKSA-N 0 0 337.759 3.375 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1cccc([N+](=O)[O-])c1 ZINC000553003925 315241207 /nfs/dbraw/zinc/24/12/07/315241207.db2.gz AUNRPAWSBCIOCZ-IAQYHMDHSA-N 0 0 326.352 3.208 10 5 EGBERN COc1cc(CC2CN(c3c(F)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000553446660 315264251 /nfs/dbraw/zinc/26/42/51/315264251.db2.gz NRUFXUSNIHIFDA-UHFFFAOYSA-N 0 0 346.358 3.430 10 5 EGBERN COc1c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000554583023 315335367 /nfs/dbraw/zinc/33/53/67/315335367.db2.gz QAFQGRIUQYTJMP-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000554803842 315349734 /nfs/dbraw/zinc/34/97/34/315349734.db2.gz PDYBFGSGHLMPAO-UHFFFAOYSA-N 0 0 329.278 3.394 10 5 EGBERN CC(C)CCc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000554910497 315356488 /nfs/dbraw/zinc/35/64/88/315356488.db2.gz CECAKETXZGHRNF-UHFFFAOYSA-N 0 0 343.431 3.481 10 5 EGBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000557451724 315511655 /nfs/dbraw/zinc/51/16/55/315511655.db2.gz HUSVQUMVFVGBCI-UHFFFAOYSA-N 0 0 328.324 3.196 10 5 EGBERN C[C@H](C(=O)N1CC[C@@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000559494803 315635670 /nfs/dbraw/zinc/63/56/70/315635670.db2.gz ACXGKFBAEXQONT-QWRGUYRKSA-N 0 0 330.306 3.499 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000560142841 315663405 /nfs/dbraw/zinc/66/34/05/315663405.db2.gz LJLUADFSIAXBJQ-UHFFFAOYSA-N 0 0 334.294 3.410 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000563510692 316031187 /nfs/dbraw/zinc/03/11/87/316031187.db2.gz DFKDQSYFUVJGOS-CYBMUJFWSA-N 0 0 347.321 3.115 10 5 EGBERN CCO[C@@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000564142194 316116729 /nfs/dbraw/zinc/11/67/29/316116729.db2.gz AQHMEMVMTWQGFX-KRWDZBQOSA-N 0 0 347.415 3.186 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCS1 ZINC000564145328 316117190 /nfs/dbraw/zinc/11/71/90/316117190.db2.gz TUZLKXCXDDBCMZ-HNNXBMFYSA-N 0 0 333.413 3.021 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000565259820 316301378 /nfs/dbraw/zinc/30/13/78/316301378.db2.gz RSJKGOICDMCOMU-LLVKDONJSA-N 0 0 330.388 3.368 10 5 EGBERN COC(=O)c1cc(C)nc(N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000566337478 316459061 /nfs/dbraw/zinc/45/90/61/316459061.db2.gz VOBXXGLLYHTEHT-DYEKYZERSA-N 0 0 333.388 3.242 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000570181373 317019639 /nfs/dbraw/zinc/01/96/39/317019639.db2.gz AEIHZCYWVMYGAF-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN CCN(CCOC)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000570731280 317099377 /nfs/dbraw/zinc/09/93/77/317099377.db2.gz AASUGHGRNYRTIQ-UHFFFAOYSA-N 0 0 345.399 3.350 10 5 EGBERN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1cscn1 ZINC000571418277 317197456 /nfs/dbraw/zinc/19/74/56/317197456.db2.gz JXHJXKCBCMOKIP-GHMZBOCLSA-N 0 0 334.401 3.119 10 5 EGBERN COc1cc(COc2cc(N(C)C)cc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000572411823 317334741 /nfs/dbraw/zinc/33/47/41/317334741.db2.gz FQXDLJPFVVAZPT-UHFFFAOYSA-N 0 0 345.399 3.314 10 5 EGBERN CC(C)Oc1nc(NCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000572497054 317348123 /nfs/dbraw/zinc/34/81/23/317348123.db2.gz ADWRNRBWETVWHQ-UHFFFAOYSA-N 0 0 345.403 3.123 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000573177614 317446455 /nfs/dbraw/zinc/44/64/55/317446455.db2.gz PISXOPAUHRXUNW-BDJLRTHQSA-N 0 0 344.415 3.316 10 5 EGBERN COC1(C)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278276431 455803728 /nfs/dbraw/zinc/80/37/28/455803728.db2.gz AZJFSBLLGGGSHY-UHFFFAOYSA-N 0 0 326.780 3.198 10 5 EGBERN Cc1c(NC(=O)[C@@]2(C)CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280770139 456049214 /nfs/dbraw/zinc/04/92/14/456049214.db2.gz RJZPUNGLVITYKG-CYBMUJFWSA-N 0 0 343.177 3.173 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC000176078643 323326233 /nfs/dbraw/zinc/32/62/33/323326233.db2.gz SDSHRSACTNLTCR-NSCUHMNNSA-N 0 0 344.342 3.462 10 5 EGBERN Cc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000181895261 323511022 /nfs/dbraw/zinc/51/10/22/323511022.db2.gz FPLPYNVSXFPYIA-UHFFFAOYSA-N 0 0 343.383 3.377 10 5 EGBERN Cc1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(C2CC2)n1 ZINC000185014492 323685423 /nfs/dbraw/zinc/68/54/23/323685423.db2.gz JBVZLHUPHPHLEF-SECBINFHSA-N 0 0 344.346 3.452 10 5 EGBERN CC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000185062840 323686386 /nfs/dbraw/zinc/68/63/86/323686386.db2.gz ZTVJSVBREJCWLY-GFCCVEGCSA-N 0 0 345.384 3.342 10 5 EGBERN CCCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000349418269 324023330 /nfs/dbraw/zinc/02/33/30/324023330.db2.gz BJPCZVHEABISAO-UHFFFAOYSA-N 0 0 331.372 3.130 10 5 EGBERN COc1cc(Cc2noc([C@H]3CCCC[C@@H]3OC)n2)ccc1[N+](=O)[O-] ZINC000349678057 324032554 /nfs/dbraw/zinc/03/25/54/324032554.db2.gz LWPOAGZMZXTEGT-JSGCOSHPSA-N 0 0 347.371 3.250 10 5 EGBERN O=c1cc(-c2nc(-c3cscn3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000350570660 324093328 /nfs/dbraw/zinc/09/33/28/324093328.db2.gz WVUMZTZDAOZJGW-UHFFFAOYSA-N 0 0 341.308 3.022 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c([N+](=O)[O-])cc1F ZINC000351112461 324172353 /nfs/dbraw/zinc/17/23/53/324172353.db2.gz SLGDPYNFRXICNM-RKDXNWHRSA-N 0 0 337.307 3.075 10 5 EGBERN COc1cc(-c2nc([C@@](C)(OC)C3CC3)no2)c([N+](=O)[O-])cc1F ZINC000351125519 324175076 /nfs/dbraw/zinc/17/50/76/324175076.db2.gz SBSFELCLCWCBQC-HNNXBMFYSA-N 0 0 337.307 3.064 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC1CCC1 ZINC000576754757 324675346 /nfs/dbraw/zinc/67/53/46/324675346.db2.gz ABVKVTVNLTUCLJ-LBPRGKRZSA-N 0 0 338.429 3.008 10 5 EGBERN Cc1cnc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000576977483 324718550 /nfs/dbraw/zinc/71/85/50/324718550.db2.gz QPDDBIIEVGRGGP-UHFFFAOYSA-N 0 0 345.384 3.205 10 5 EGBERN Cc1ccnc(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000577488326 324816040 /nfs/dbraw/zinc/81/60/40/324816040.db2.gz SMKRGOYTHFQYSG-DGCLKSJQSA-N 0 0 335.404 3.102 10 5 EGBERN CC[C@@H](C)[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578094678 324917108 /nfs/dbraw/zinc/91/71/08/324917108.db2.gz HQXPZXXGHHHJPA-VXGBXAGGSA-N 0 0 332.404 3.352 10 5 EGBERN CC[C@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000579957033 325182872 /nfs/dbraw/zinc/18/28/72/325182872.db2.gz WJHMKBMNALKGQS-AWEZNQCLSA-N 0 0 335.404 3.278 10 5 EGBERN CCc1nn(C)cc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000580788869 325296284 /nfs/dbraw/zinc/29/62/84/325296284.db2.gz UXFHBTACFZLQCQ-UHFFFAOYSA-N 0 0 330.388 3.441 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)C ZINC000353915633 456963863 /nfs/dbraw/zinc/96/38/63/456963863.db2.gz VWZZAAOTEXEDQQ-NSHDSACASA-N 0 0 326.418 3.202 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 ZINC000173061161 455226340 /nfs/dbraw/zinc/22/63/40/455226340.db2.gz WQVXXJWTFDPRNP-OAHLLOKOSA-N 0 0 341.367 3.124 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000189802677 455241629 /nfs/dbraw/zinc/24/16/29/455241629.db2.gz YCBUZIDAYOYBCU-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000189802697 455242017 /nfs/dbraw/zinc/24/20/17/455242017.db2.gz YCBUZIDAYOYBCU-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN CC[C@]1(C)CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000467778559 458986702 /nfs/dbraw/zinc/98/67/02/458986702.db2.gz RICXYMQTCJERHI-CQSZACIVSA-N 0 0 346.836 3.367 10 5 EGBERN Cc1nc(CN(C)C(=O)c2cc3ccccc3c3cccnc23)no1 ZINC000181002534 455274563 /nfs/dbraw/zinc/27/45/63/455274563.db2.gz PXSSUEXLRVINRH-UHFFFAOYSA-N 0 0 332.363 3.352 10 5 EGBERN O=c1c([N+](=O)[O-])c(OCc2ccccc2)c2cccc3c2n1CCC3 ZINC000000132744 452514929 /nfs/dbraw/zinc/51/49/29/452514929.db2.gz KYZUQZXBGVKTFC-UHFFFAOYSA-N 0 0 336.347 3.435 10 5 EGBERN C[C@@H](c1ccsc1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703889 460573535 /nfs/dbraw/zinc/57/35/35/460573535.db2.gz LWMNZDXDWMHLDX-MGPLVRAMSA-N 0 0 345.380 3.185 10 5 EGBERN O=C(CN1CCCc2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005898823 452910990 /nfs/dbraw/zinc/91/09/90/452910990.db2.gz JKXZTOWNNCLHEX-UHFFFAOYSA-N 0 0 329.331 3.125 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000006061581 452918468 /nfs/dbraw/zinc/91/84/68/452918468.db2.gz REFIKVKJVINXBE-UHFFFAOYSA-N 0 0 334.759 3.286 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000007462284 453078436 /nfs/dbraw/zinc/07/84/36/453078436.db2.gz OHMKRRBQYGJXKP-INIZCTEOSA-N 0 0 340.379 3.476 10 5 EGBERN O=C(CCC(=O)N1CCCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600768266 460595959 /nfs/dbraw/zinc/59/59/59/460595959.db2.gz GNLIKYJNFHSLQF-UHFFFAOYSA-N 0 0 330.384 3.350 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC3(CC3)CC2)cc1OC ZINC000600768934 460596069 /nfs/dbraw/zinc/59/60/69/460596069.db2.gz IFMOBBZCAODHML-UHFFFAOYSA-N 0 0 348.399 3.408 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC2(CC2)CC1 ZINC000600769093 460596384 /nfs/dbraw/zinc/59/63/84/460596384.db2.gz NNPJNMHOFQZVDU-UHFFFAOYSA-N 0 0 327.384 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600770949 460596463 /nfs/dbraw/zinc/59/64/63/460596463.db2.gz FEPRLYCSAPVFFU-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000012765449 453401136 /nfs/dbraw/zinc/40/11/36/453401136.db2.gz YOZFHHJNDSVPGB-UHFFFAOYSA-N 0 0 342.380 3.114 10 5 EGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000014575381 453540332 /nfs/dbraw/zinc/54/03/32/453540332.db2.gz OQWARSSHSMHVEQ-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600806999 460610708 /nfs/dbraw/zinc/61/07/08/460610708.db2.gz UJEZCLXPYMNCAA-DLGQBQFBSA-N 0 0 328.372 3.290 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600805238 460610785 /nfs/dbraw/zinc/61/07/85/460610785.db2.gz PKHUZRGATPUJHH-ITDFMYJTSA-N 0 0 346.383 3.200 10 5 EGBERN CC1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000612379309 460612292 /nfs/dbraw/zinc/61/22/92/460612292.db2.gz HWUNRVJHWJLDIT-UHFFFAOYSA-N 0 0 341.358 3.405 10 5 EGBERN COc1ccccc1N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020963949 453670448 /nfs/dbraw/zinc/67/04/48/453670448.db2.gz IYOPCCNEOIESKM-OAHLLOKOSA-N 0 0 341.411 3.487 10 5 EGBERN CCc1sc(-c2nnc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1C ZINC000022986449 453702429 /nfs/dbraw/zinc/70/24/29/453702429.db2.gz JSKPNYFIHRDJLL-UHFFFAOYSA-N 0 0 347.400 3.439 10 5 EGBERN CC(=O)c1cc(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)oc1C ZINC000030744371 453837817 /nfs/dbraw/zinc/83/78/17/453837817.db2.gz MVUQGWNBFQMIPK-UHFFFAOYSA-N 0 0 331.324 3.375 10 5 EGBERN C[S@@](=O)Cc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000075139834 453865931 /nfs/dbraw/zinc/86/59/31/453865931.db2.gz WRPBDJXTZUIRBT-NRFANRHFSA-N 0 0 325.777 3.265 10 5 EGBERN CCOCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1ccc(OC)cc1 ZINC000075147164 453867066 /nfs/dbraw/zinc/86/70/66/453867066.db2.gz FTAPSAROYXUSNB-GOSISDBHSA-N 0 0 346.383 3.285 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccc(F)c2cccnc12 ZINC000032331976 453867536 /nfs/dbraw/zinc/86/75/36/453867536.db2.gz XAYCKLVEOXRLRP-UHFFFAOYSA-N 0 0 339.282 3.238 10 5 EGBERN COC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000032455231 453873808 /nfs/dbraw/zinc/87/38/08/453873808.db2.gz GJVDXBGWKAVBFB-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN CCOCCOCc1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000066808886 453875696 /nfs/dbraw/zinc/87/56/96/453875696.db2.gz OTEHYSMAUWKLPU-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN C[C@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066934837 453886298 /nfs/dbraw/zinc/88/62/98/453886298.db2.gz AEQOMAOFYLVMGE-LLVKDONJSA-N 0 0 340.426 3.081 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000067048085 453897272 /nfs/dbraw/zinc/89/72/72/453897272.db2.gz WUCCVLNDAXCIAQ-JTQLQIEISA-N 0 0 335.360 3.210 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncc2ccccn21 ZINC000032923310 453897368 /nfs/dbraw/zinc/89/73/68/453897368.db2.gz TXKLOMAKCQBQLI-UHFFFAOYSA-N 0 0 329.337 3.180 10 5 EGBERN CC(=O)c1ccc(NCc2nccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000075722592 453922093 /nfs/dbraw/zinc/92/20/93/453922093.db2.gz MFJBCNVJJMYQKP-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCCC1 ZINC000067650004 453953014 /nfs/dbraw/zinc/95/30/14/453953014.db2.gz HNJWZSAVICBYBV-UHFFFAOYSA-N 0 0 332.278 3.005 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055123591 453964983 /nfs/dbraw/zinc/96/49/83/453964983.db2.gz GUGQEOPRKXQMMX-UHFFFAOYSA-N 0 0 326.352 3.320 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cncn2)cc1 ZINC000042096834 453993243 /nfs/dbraw/zinc/99/32/43/453993243.db2.gz YXVNFGVXKZPCTF-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3cccc(C)c3)C2)c1 ZINC000085459367 454029959 /nfs/dbraw/zinc/02/99/59/454029959.db2.gz BLOFWOBHSSEJSL-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CCO[C@@H](C)c1noc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000076717192 454029938 /nfs/dbraw/zinc/02/99/38/454029938.db2.gz UENQARJZBRDFDW-RYUDHWBXSA-N 0 0 334.376 3.268 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccccc3C)C2)c1 ZINC000085478827 454031269 /nfs/dbraw/zinc/03/12/69/454031269.db2.gz WNMSXEWJGYYJOG-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN C[C@@H](CO)[C@H](C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000077227993 454078427 /nfs/dbraw/zinc/07/84/27/454078427.db2.gz PFWGAAXJJDCYQD-STQMWFEESA-N 0 0 328.368 3.255 10 5 EGBERN COc1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000077294790 454087141 /nfs/dbraw/zinc/08/71/41/454087141.db2.gz MBUZKVCTVIHXON-AWEZNQCLSA-N 0 0 342.351 3.084 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077305204 454088060 /nfs/dbraw/zinc/08/80/60/454088060.db2.gz OFENWVRSQQDXNV-CQSZACIVSA-N 0 0 342.351 3.084 10 5 EGBERN COc1ccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077305201 454088093 /nfs/dbraw/zinc/08/80/93/454088093.db2.gz OFENWVRSQQDXNV-AWEZNQCLSA-N 0 0 342.351 3.084 10 5 EGBERN CNc1ccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077334528 454092565 /nfs/dbraw/zinc/09/25/65/454092565.db2.gz GGRSNBMSFMOVGL-HNNXBMFYSA-N 0 0 341.367 3.117 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000088235475 454095479 /nfs/dbraw/zinc/09/54/79/454095479.db2.gz LRYHFQUCUCPWGV-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CC(C)(C)NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000088501169 454108961 /nfs/dbraw/zinc/10/89/61/454108961.db2.gz VKTXRZGADNBBGU-UHFFFAOYSA-N 0 0 347.234 3.364 10 5 EGBERN Cc1ccnn1-c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000069567667 454119701 /nfs/dbraw/zinc/11/97/01/454119701.db2.gz XBSCZIJYMPBBEN-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]c1-c1ccncc1 ZINC000069626855 454126767 /nfs/dbraw/zinc/12/67/67/454126767.db2.gz MXTPKXBQYAJQLF-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nnc(C3CC3)o2)c(C(F)(F)F)c1 ZINC000057812224 454148280 /nfs/dbraw/zinc/14/82/80/454148280.db2.gz ZJNKYPBBGQQNEW-UHFFFAOYSA-N 0 0 329.234 3.453 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045268123 454149035 /nfs/dbraw/zinc/14/90/35/454149035.db2.gz CEDKLJFPXRGYDA-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN CC(C)(C)c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 ZINC000058024275 454161462 /nfs/dbraw/zinc/16/14/62/454161462.db2.gz SZDZEGVFWPRTPU-UHFFFAOYSA-N 0 0 333.369 3.305 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2CCO[C@H](c3cccc(O)c3)C2)c(F)c1 ZINC000089602089 454166989 /nfs/dbraw/zinc/16/69/89/454166989.db2.gz RQRVJBHAPCJLEU-HNNXBMFYSA-N 0 0 336.294 3.157 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130522451 454202734 /nfs/dbraw/zinc/20/27/34/454202734.db2.gz WBLIZDCZEGHWPM-SNVBAGLBSA-N 0 0 337.426 3.411 10 5 EGBERN O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCCC1 ZINC000130545497 454203476 /nfs/dbraw/zinc/20/34/76/454203476.db2.gz DJCGSCNPSTUHIC-UHFFFAOYSA-N 0 0 331.416 3.008 10 5 EGBERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000078187381 454209137 /nfs/dbraw/zinc/20/91/37/454209137.db2.gz OIDKPNJBTOELIZ-WCQYABFASA-N 0 0 330.340 3.215 10 5 EGBERN COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000078247097 454215783 /nfs/dbraw/zinc/21/57/83/454215783.db2.gz LALLCXAKMGVKFE-UHFFFAOYSA-N 0 0 349.774 3.332 10 5 EGBERN N=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC000095931653 454233095 /nfs/dbraw/zinc/23/30/95/454233095.db2.gz JHYTYJPIZSXKIN-UHFFFAOYSA-N 0 0 334.715 3.179 10 5 EGBERN CSc1ccc(C(=O)NCc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000131432961 454254190 /nfs/dbraw/zinc/25/41/90/454254190.db2.gz WJGSHLBOKWSIMD-UHFFFAOYSA-N 0 0 348.428 3.099 10 5 EGBERN Cc1c(Br)c(N2CC[C@H](C)[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC000612449944 460631505 /nfs/dbraw/zinc/63/15/05/460631505.db2.gz PRDKJSUIOSFPFM-CBAPKCEASA-N 0 0 332.173 3.245 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120291821 454282854 /nfs/dbraw/zinc/28/28/54/454282854.db2.gz KJICLLPAISRGJG-LBPRGKRZSA-N 0 0 337.376 3.065 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000060608898 454305957 /nfs/dbraw/zinc/30/59/57/454305957.db2.gz DXNGZBKOTJTJCI-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN Cc1cc(C)n(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)n1 ZINC000120558569 454317953 /nfs/dbraw/zinc/31/79/53/454317953.db2.gz KGNKETCMSDYBMZ-UHFFFAOYSA-N 0 0 342.399 3.384 10 5 EGBERN CCC[C@@H]1CN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000090684451 454335262 /nfs/dbraw/zinc/33/52/62/454335262.db2.gz YRYIJULBTCDNKE-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000063262327 454400578 /nfs/dbraw/zinc/40/05/78/454400578.db2.gz MMQFLUPXEVHQSO-TXEJJXNPSA-N 0 0 348.428 3.277 10 5 EGBERN CCN(CC(F)(F)F)C(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000097108776 454409872 /nfs/dbraw/zinc/40/98/72/454409872.db2.gz KAJOCOZXRUVVTM-UHFFFAOYSA-N 0 0 342.277 3.009 10 5 EGBERN Cc1noc(C)c1CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142402 454414799 /nfs/dbraw/zinc/41/47/99/454414799.db2.gz NZDCCQZWXQSDSP-UHFFFAOYSA-N 0 0 340.339 3.237 10 5 EGBERN CCN(Cc1cc(C)c(C(=O)OC)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054324 454437462 /nfs/dbraw/zinc/43/74/62/454437462.db2.gz DEPAYKJAUOWJTQ-UHFFFAOYSA-N 0 0 332.356 3.305 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091627625 454451870 /nfs/dbraw/zinc/45/18/70/454451870.db2.gz PCYOMGOJGRZHPS-SNVBAGLBSA-N 0 0 349.341 3.183 10 5 EGBERN C[C@H](NC(=O)Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000079672724 454462051 /nfs/dbraw/zinc/46/20/51/454462051.db2.gz GRRZEXQQRMIWKQ-NSHDSACASA-N 0 0 327.340 3.412 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000064332009 454474022 /nfs/dbraw/zinc/47/40/22/454474022.db2.gz DDIKNVHMFRAXLD-NSHDSACASA-N 0 0 346.412 3.017 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000133959570 454487766 /nfs/dbraw/zinc/48/77/66/454487766.db2.gz XTHIYGVDGJGSFJ-CMPLNLGQSA-N 0 0 333.294 3.319 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000134003518 454491773 /nfs/dbraw/zinc/49/17/73/454491773.db2.gz VEVWHZSDPCNWAD-KBPBESRZSA-N 0 0 327.340 3.049 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134112257 454505164 /nfs/dbraw/zinc/50/51/64/454505164.db2.gz BGJYDVNQIOCFJD-IRXDYDNUSA-N 0 0 346.427 3.334 10 5 EGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000064819698 454509035 /nfs/dbraw/zinc/50/90/35/454509035.db2.gz XNLMZAFRFYDTMN-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000122569872 454548294 /nfs/dbraw/zinc/54/82/94/454548294.db2.gz ZANKFZSOQAGUOR-UHFFFAOYSA-N 0 0 335.747 3.069 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1 ZINC000080935122 454650178 /nfs/dbraw/zinc/65/01/78/454650178.db2.gz DEBLPDSVYPYJBD-LLVKDONJSA-N 0 0 348.790 3.102 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1 ZINC000080935117 454650548 /nfs/dbraw/zinc/65/05/48/454650548.db2.gz DEBLPDSVYPYJBD-NSHDSACASA-N 0 0 348.790 3.102 10 5 EGBERN CCc1ccc(C2=CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 ZINC000092948885 454657300 /nfs/dbraw/zinc/65/73/00/454657300.db2.gz WJFCTUWMFLHGAP-UHFFFAOYSA-N 0 0 349.394 3.494 10 5 EGBERN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123627438 454658639 /nfs/dbraw/zinc/65/86/39/454658639.db2.gz BWQJYEAWMFXZET-CYBMUJFWSA-N 0 0 330.340 3.044 10 5 EGBERN Cc1cc(Oc2ncncc2Br)c(F)cc1[N+](=O)[O-] ZINC000123659006 454661854 /nfs/dbraw/zinc/66/18/54/454661854.db2.gz LHRPDMMLNMYMLP-UHFFFAOYSA-N 0 0 328.097 3.387 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)s1 ZINC000066333491 454685856 /nfs/dbraw/zinc/68/58/56/454685856.db2.gz UJBSLLZUCWRZLV-SNVBAGLBSA-N 0 0 344.439 3.244 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000135680782 454697684 /nfs/dbraw/zinc/69/76/84/454697684.db2.gz CBLBABRQJYEYAR-CQSZACIVSA-N 0 0 349.456 3.017 10 5 EGBERN CCOc1cccc(CCNC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000136012094 454714167 /nfs/dbraw/zinc/71/41/67/454714167.db2.gz CMZBNSTUHSBRTM-UHFFFAOYSA-N 0 0 343.383 3.035 10 5 EGBERN COCCn1c2ccccc2nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000106899205 454729414 /nfs/dbraw/zinc/72/94/14/454729414.db2.gz CUVZJEGMCPMVEO-UHFFFAOYSA-N 0 0 327.340 3.267 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000107124347 454743157 /nfs/dbraw/zinc/74/31/57/454743157.db2.gz RUMRMVAFAUVFRW-UHFFFAOYSA-N 0 0 332.360 3.197 10 5 EGBERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000124559531 454747993 /nfs/dbraw/zinc/74/79/93/454747993.db2.gz NTYKERSLEADJQD-JQWIXIFHSA-N 0 0 332.360 3.087 10 5 EGBERN CCN(CCc1nccs1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000162296164 454765842 /nfs/dbraw/zinc/76/58/42/454765842.db2.gz QSHPQYAUPGWEHZ-LBPRGKRZSA-N 0 0 348.428 3.387 10 5 EGBERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000108946856 454817420 /nfs/dbraw/zinc/81/74/20/454817420.db2.gz GOVZEYAYJKBGDR-CYBMUJFWSA-N 0 0 347.806 3.143 10 5 EGBERN CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154169059 454871024 /nfs/dbraw/zinc/87/10/24/454871024.db2.gz DOCQGCIFZCXKMU-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000148992957 454873963 /nfs/dbraw/zinc/87/39/63/454873963.db2.gz QKBNNXLRXRSCOW-UHFFFAOYSA-N 0 0 336.395 3.398 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCC[C@H]3CCCC[C@@H]3O)cc2N1 ZINC000154518033 454903569 /nfs/dbraw/zinc/90/35/69/454903569.db2.gz WVIWSKUNOKWEGU-PXAZEXFGSA-N 0 0 347.415 3.223 10 5 EGBERN COC[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170743499 454967986 /nfs/dbraw/zinc/96/79/86/454967986.db2.gz JVOUSHHNMVVZDF-CXAGYDPISA-N 0 0 343.383 3.343 10 5 EGBERN CC(C)c1nnc2n1C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000178870548 454986235 /nfs/dbraw/zinc/98/62/35/454986235.db2.gz SLYFJYKVPNNENB-SECBINFHSA-N 0 0 337.330 3.015 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155548144 455014610 /nfs/dbraw/zinc/01/46/10/455014610.db2.gz VCUNOACGTCHXNY-ARFHVFGLSA-N 0 0 332.400 3.413 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000151747293 455025524 /nfs/dbraw/zinc/02/55/24/455025524.db2.gz QIZFHMFQJCYJHD-APPDUMDISA-N 0 0 344.342 3.198 10 5 EGBERN CN(C)c1ncc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000179286892 455028118 /nfs/dbraw/zinc/02/81/18/455028118.db2.gz SCKJTTXWWSCUNB-UHFFFAOYSA-N 0 0 343.390 3.496 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(-c3cccs3)n2)c1=O ZINC000155813353 455048530 /nfs/dbraw/zinc/04/85/30/455048530.db2.gz RANKXLFIXCSRPR-UHFFFAOYSA-N 0 0 333.394 3.298 10 5 EGBERN Cc1cc(=O)n(Cc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000128475819 455059213 /nfs/dbraw/zinc/05/92/13/455059213.db2.gz AUSCARJDVCBBCE-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1noc(C)c1[C@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152051970 455066762 /nfs/dbraw/zinc/06/67/62/455066762.db2.gz BWKMKUVFPJFHMM-SECBINFHSA-N 0 0 342.355 3.214 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000152080959 455070777 /nfs/dbraw/zinc/07/07/77/455070777.db2.gz ICWXKUSQJOWYQO-CABCVRRESA-N 0 0 346.333 3.335 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000171831991 455096733 /nfs/dbraw/zinc/09/67/33/455096733.db2.gz MNVHSZAFZHAJEZ-HZPDHXFCSA-N 0 0 325.368 3.198 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000129101942 455097845 /nfs/dbraw/zinc/09/78/45/455097845.db2.gz HZJVNYGBVMABFT-ZDUSSCGKSA-N 0 0 327.384 3.310 10 5 EGBERN COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000180064173 455125747 /nfs/dbraw/zinc/12/57/47/455125747.db2.gz YIGTZCJZJAJEGI-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CCNc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000152498863 455127934 /nfs/dbraw/zinc/12/79/34/455127934.db2.gz RHUPOOVNKFCNTA-UHFFFAOYSA-N 0 0 348.428 3.106 10 5 EGBERN CCc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000156525516 455128861 /nfs/dbraw/zinc/12/88/61/455128861.db2.gz NCCCFSIFIXUVFB-UHFFFAOYSA-N 0 0 342.399 3.399 10 5 EGBERN O=C(N[C@H]1CCCc2occc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130006735 455137712 /nfs/dbraw/zinc/13/77/12/455137712.db2.gz SVNULFLZKDYGQL-HNNXBMFYSA-N 0 0 325.324 3.477 10 5 EGBERN COC[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000183674749 455319355 /nfs/dbraw/zinc/31/93/55/455319355.db2.gz NKYYDZJYRMTKAC-YVEFUNNKSA-N 0 0 346.358 3.341 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245559339 455330070 /nfs/dbraw/zinc/33/00/70/455330070.db2.gz BNXPDYLFNQDCEH-LMWOUKEDSA-N 0 0 335.404 3.301 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000173928283 455342142 /nfs/dbraw/zinc/34/21/42/455342142.db2.gz WHVNTDLYRFXUHD-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1csc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236569 455364574 /nfs/dbraw/zinc/36/45/74/455364574.db2.gz NJLOJDXPUBJGIW-MNOVXSKESA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc2NC1=O ZINC000174184651 455368673 /nfs/dbraw/zinc/36/86/73/455368673.db2.gz IAIMOJSFFFQMBR-LLVKDONJSA-N 0 0 329.331 3.329 10 5 EGBERN O=[N+]([O-])c1ccc(CSc2ncncc2Br)cc1 ZINC000159427739 455376583 /nfs/dbraw/zinc/37/65/83/455376583.db2.gz DFHFADQIZNARTG-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000174491003 455396704 /nfs/dbraw/zinc/39/67/04/455396704.db2.gz MYBYSDWMKJSRFF-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC[C@@H](C)C(C)=O ZINC000184815546 455453313 /nfs/dbraw/zinc/45/33/13/455453313.db2.gz CGCLWISLUNSGIE-GFCCVEGCSA-N 0 0 336.388 3.005 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191578101 455499783 /nfs/dbraw/zinc/49/97/83/455499783.db2.gz XBDJJFNUIVCRQP-HOTGVXAUSA-N 0 0 340.379 3.445 10 5 EGBERN Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262445 455580079 /nfs/dbraw/zinc/58/00/79/455580079.db2.gz XRADQWIYNIKYLW-KSSFIOAISA-N 0 0 348.349 3.489 10 5 EGBERN CC(C)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271329861 455599691 /nfs/dbraw/zinc/59/96/91/455599691.db2.gz ATBLKSJGSXZDIR-CYBMUJFWSA-N 0 0 336.779 3.109 10 5 EGBERN COc1cc(OC)cc([C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000192481647 455628953 /nfs/dbraw/zinc/62/89/53/455628953.db2.gz TULQDTGVOWSHEU-JTQLQIEISA-N 0 0 335.385 3.062 10 5 EGBERN COc1ccc2c(c1)nc(CNCc1ccc([N+](=O)[O-])cc1C)n2C ZINC000185832427 455631073 /nfs/dbraw/zinc/63/10/73/455631073.db2.gz JKCMQVWVUKBMSH-UHFFFAOYSA-N 0 0 340.383 3.088 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2c2ccccc2)n1 ZINC000271476371 455651798 /nfs/dbraw/zinc/65/17/98/455651798.db2.gz ZNKOXIJKXFEPRN-CQSZACIVSA-N 0 0 328.372 3.086 10 5 EGBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000186024305 455677554 /nfs/dbraw/zinc/67/75/54/455677554.db2.gz UWZHEXKRDPIDBX-UHFFFAOYSA-N 0 0 342.380 3.271 10 5 EGBERN COC(=O)c1cc(NCCCc2nccs2)cc(C)c1[N+](=O)[O-] ZINC000268513300 455704226 /nfs/dbraw/zinc/70/42/26/455704226.db2.gz XGTGOOVHYHJAJZ-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN O=C(NC[C@@H]1CCCOC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277933589 455712852 /nfs/dbraw/zinc/71/28/52/455712852.db2.gz RAKMGTIIBLZGSN-ZDUSSCGKSA-N 0 0 336.391 3.250 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947846 455723554 /nfs/dbraw/zinc/72/35/54/455723554.db2.gz RVEQYQNCBZJIBL-HOTGVXAUSA-N 0 0 341.415 3.251 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000269331326 455837026 /nfs/dbraw/zinc/83/70/26/455837026.db2.gz FJSSGHRDVRGYLY-UHFFFAOYSA-N 0 0 343.387 3.076 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CCOCC2)CC1 ZINC000285636046 455886401 /nfs/dbraw/zinc/88/64/01/455886401.db2.gz FMZGSSYJLBLQSX-UHFFFAOYSA-N 0 0 343.383 3.109 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187312518 455894328 /nfs/dbraw/zinc/89/43/28/455894328.db2.gz QUPJJQBWISGQJN-DGCLKSJQSA-N 0 0 338.429 3.149 10 5 EGBERN CCCCN(CC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000195018395 455913341 /nfs/dbraw/zinc/91/33/41/455913341.db2.gz PDSYHYFFGVWWRL-UHFFFAOYSA-N 0 0 346.352 3.009 10 5 EGBERN CC(C)(CCc1noc(-c2cccc(C(F)(F)F)n2)n1)[N+](=O)[O-] ZINC000296353952 455916002 /nfs/dbraw/zinc/91/60/02/455916002.db2.gz HQZKMPKKTPWGRX-UHFFFAOYSA-N 0 0 330.266 3.138 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(C4CCC4)no3)c2)cc1 ZINC000601075947 460700965 /nfs/dbraw/zinc/70/09/65/460700965.db2.gz IDZDDKQIPUBRJZ-UHFFFAOYSA-N 0 0 325.328 3.157 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(OC)cc1 ZINC000195144661 455926973 /nfs/dbraw/zinc/92/69/73/455926973.db2.gz KGAOTWQVIPJLDF-INIZCTEOSA-N 0 0 329.356 3.188 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2CCCC[C@H]2CC(F)(F)F)c1[N+](=O)[O-] ZINC000296424273 455935391 /nfs/dbraw/zinc/93/53/91/455935391.db2.gz XSRFMIPZKVZFNC-WPRPVWTQSA-N 0 0 346.309 3.012 10 5 EGBERN CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280324033 455947148 /nfs/dbraw/zinc/94/71/48/455947148.db2.gz QPGYECLJUFGBFG-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270462769 455960889 /nfs/dbraw/zinc/96/08/89/455960889.db2.gz GPTPMXQXSUJCJL-UHFFFAOYSA-N 0 0 348.790 3.027 10 5 EGBERN O=C(c1csc(C(F)(F)F)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000187922542 455968458 /nfs/dbraw/zinc/96/84/58/455968458.db2.gz NZKIVTUEPURUQW-UHFFFAOYSA-N 0 0 343.286 3.273 10 5 EGBERN COC(C)(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280573847 456002498 /nfs/dbraw/zinc/00/24/98/456002498.db2.gz KPHNHTCDROPBPP-UHFFFAOYSA-N 0 0 331.166 3.029 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000188126294 456004044 /nfs/dbraw/zinc/00/40/44/456004044.db2.gz ROFANUSSIISNSH-KXBFYZLASA-N 0 0 346.427 3.485 10 5 EGBERN COc1ccc(O)cc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188137416 456006160 /nfs/dbraw/zinc/00/61/60/456006160.db2.gz KANNEMNHPKRHIA-NSHDSACASA-N 0 0 330.340 3.108 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc2nccn12 ZINC000270724536 456024123 /nfs/dbraw/zinc/02/41/23/456024123.db2.gz FDQJQWWKJWSPFN-JTQLQIEISA-N 0 0 344.396 3.412 10 5 EGBERN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270759364 456032348 /nfs/dbraw/zinc/03/23/48/456032348.db2.gz FBTSWUYTWLZUCW-GJZGRUSLSA-N 0 0 342.399 3.127 10 5 EGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C ZINC000188324052 456044361 /nfs/dbraw/zinc/04/43/61/456044361.db2.gz GWNDBJGIXHEQOP-HZMBPMFUSA-N 0 0 330.331 3.053 10 5 EGBERN COc1ccc(NC(=O)Cc2cnc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000188355391 456049203 /nfs/dbraw/zinc/04/92/03/456049203.db2.gz RTRWYWSAALINMG-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN CC[C@H](C)OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280780164 456050790 /nfs/dbraw/zinc/05/07/90/456050790.db2.gz SEYRETGUEPDIPX-QMMMGPOBSA-N 0 0 345.193 3.419 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCC1(c2ccccc2)CCOCC1 ZINC000601104369 460712636 /nfs/dbraw/zinc/71/26/36/460712636.db2.gz UMOPIFLGNTWBDU-UHFFFAOYSA-N 0 0 331.347 3.289 10 5 EGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301493542 456129741 /nfs/dbraw/zinc/12/97/41/456129741.db2.gz QTRZKJZDLZIAMQ-GOEBONIOSA-N 0 0 333.413 3.202 10 5 EGBERN COc1cccc(CNc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000230902600 456140188 /nfs/dbraw/zinc/14/01/88/456140188.db2.gz RKNGUEPLSSQONK-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301633890 456168427 /nfs/dbraw/zinc/16/84/27/456168427.db2.gz DMPNFIXDQADKMH-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281233538 456173377 /nfs/dbraw/zinc/17/33/77/456173377.db2.gz CGORQEJKJQDINS-OAHLLOKOSA-N 0 0 343.387 3.396 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(Br)o1 ZINC000301676114 456183507 /nfs/dbraw/zinc/18/35/07/456183507.db2.gz CGWCMQOWSZTTSB-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301697259 456190398 /nfs/dbraw/zinc/19/03/98/456190398.db2.gz ZKQQWVAGTJQLIW-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1cccs1 ZINC000301710576 456194691 /nfs/dbraw/zinc/19/46/91/456194691.db2.gz XPIDWFWRNNIUME-SNVBAGLBSA-N 0 0 347.396 3.278 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N(Cc3ccc(Cl)cc3)C3CC3)nn21 ZINC000301868989 456237134 /nfs/dbraw/zinc/23/71/34/456237134.db2.gz CJVSZLLPRUUHOL-UHFFFAOYSA-N 0 0 343.774 3.460 10 5 EGBERN Cc1cc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908889 456248875 /nfs/dbraw/zinc/24/88/75/456248875.db2.gz RMWRYWPZRQBMMD-WMLDXEAASA-N 0 0 348.353 3.434 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@H]3Cc3ccccc3)nn21 ZINC000301961857 456259599 /nfs/dbraw/zinc/25/95/99/456259599.db2.gz IGPYJPWHCGNIDC-LSDHHAIUSA-N 0 0 337.383 3.461 10 5 EGBERN C[C@H]1C(=O)NCCCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC000189229303 456259930 /nfs/dbraw/zinc/25/99/30/456259930.db2.gz OWURGQZSTBGYEW-AWEZNQCLSA-N 0 0 332.403 3.344 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccnc(OC2CCCCC2)c1 ZINC000340153053 456282844 /nfs/dbraw/zinc/28/28/44/456282844.db2.gz WQJWMODBQMFVQT-UHFFFAOYSA-N 0 0 328.372 3.130 10 5 EGBERN Cc1ccncc1[C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137014 460726221 /nfs/dbraw/zinc/72/62/21/460726221.db2.gz PPQADOLBWCWFNR-QMMMGPOBSA-N 0 0 329.282 3.224 10 5 EGBERN COC(=O)/C=C/c1ccc(NC2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000302167315 456305605 /nfs/dbraw/zinc/30/56/05/456305605.db2.gz SAQFUYOKUHYMIY-VQHVLOKHSA-N 0 0 338.363 3.360 10 5 EGBERN CC(=O)c1cc(NCCCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000342944089 456329413 /nfs/dbraw/zinc/32/94/13/456329413.db2.gz RSOLKCOEXIHAIA-UHFFFAOYSA-N 0 0 330.388 3.192 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342951660 456333596 /nfs/dbraw/zinc/33/35/96/456333596.db2.gz VLJSTPMEIAVICM-MSQAHXEGSA-N 0 0 349.431 3.405 10 5 EGBERN COC(=O)c1cc(N2CCOCC3(CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000302370062 456338294 /nfs/dbraw/zinc/33/82/94/456338294.db2.gz GJBBEEPDEFTFNS-UHFFFAOYSA-N 0 0 348.399 3.087 10 5 EGBERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275923859 456351108 /nfs/dbraw/zinc/35/11/08/456351108.db2.gz QJUNJUDQFJWDQE-CMPLNLGQSA-N 0 0 326.780 3.196 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC[C@H]1CCCCO1 ZINC000601142225 460729679 /nfs/dbraw/zinc/72/96/79/460729679.db2.gz NWJRFBRSCOMONE-SECBINFHSA-N 0 0 336.314 3.108 10 5 EGBERN CC(C)Oc1cccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347783153 456365884 /nfs/dbraw/zinc/36/58/84/456365884.db2.gz KJOCYYWZVIHKHC-UHFFFAOYSA-N 0 0 327.384 3.335 10 5 EGBERN Cc1cc(NCCC2(C)OCCO2)c(Br)cc1[N+](=O)[O-] ZINC000302631466 456366726 /nfs/dbraw/zinc/36/67/26/456366726.db2.gz BYZYEWRWSJAFPD-UHFFFAOYSA-N 0 0 345.193 3.231 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302662467 456370672 /nfs/dbraw/zinc/37/06/72/456370672.db2.gz FGPMVVWRMUFEEV-HNNXBMFYSA-N 0 0 343.358 3.255 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC/C=C/c1ccccc1 ZINC000302686767 456374936 /nfs/dbraw/zinc/37/49/36/456374936.db2.gz YJPLKJBTLAXEGI-VMPITWQZSA-N 0 0 332.381 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc4ccccc4n3)C2)nc1 ZINC000302781360 456398808 /nfs/dbraw/zinc/39/88/08/456398808.db2.gz JLDRPQPHMHBRNJ-AWEZNQCLSA-N 0 0 335.367 3.229 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352898403 456398893 /nfs/dbraw/zinc/39/88/93/456398893.db2.gz DNBUIPNZJUJESS-QGZVFWFLSA-N 0 0 333.388 3.328 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000347842140 456398986 /nfs/dbraw/zinc/39/89/86/456398986.db2.gz GCUISBLPDCBVFD-QWRGUYRKSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1ccsc1 ZINC000352900946 456401188 /nfs/dbraw/zinc/40/11/88/456401188.db2.gz KPBIUVLXNYOSCX-ZDUSSCGKSA-N 0 0 335.385 3.128 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000347845811 456402508 /nfs/dbraw/zinc/40/25/08/456402508.db2.gz KHHHWZQELGFHNL-KOLCDFICSA-N 0 0 346.305 3.325 10 5 EGBERN COC(=O)[C@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302798161 456403897 /nfs/dbraw/zinc/40/38/97/456403897.db2.gz AXMNZAIPVWHBIA-JQWIXIFHSA-N 0 0 326.780 3.192 10 5 EGBERN O=C(c1ccccc1)N1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822618 456410098 /nfs/dbraw/zinc/41/00/98/456410098.db2.gz SSKKYFJRXRTIKW-UHFFFAOYSA-N 0 0 343.358 3.086 10 5 EGBERN C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc2c(c1)OCO2 ZINC000302850190 456416887 /nfs/dbraw/zinc/41/68/87/456416887.db2.gz PPICYFVJCJPBCY-JTQLQIEISA-N 0 0 327.340 3.465 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccccc1CN1CCOCC1 ZINC000302860418 456418236 /nfs/dbraw/zinc/41/82/36/456418236.db2.gz OYCPDASXRUQIJC-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1noc(COC(C)C)n1 ZINC000290772372 456425537 /nfs/dbraw/zinc/42/55/37/456425537.db2.gz CFNKZSJYLCKHGK-GFCCVEGCSA-N 0 0 334.376 3.062 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340401094 456438881 /nfs/dbraw/zinc/43/88/81/456438881.db2.gz NTLBQGDGHIBASF-QGZVFWFLSA-N 0 0 336.351 3.352 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(-c3cccs3)on1)CC2 ZINC000353033344 456451963 /nfs/dbraw/zinc/45/19/63/456451963.db2.gz NMCPXNMEXCDKBF-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncc(-c3ccccc3)o1)CC2 ZINC000353035138 456453240 /nfs/dbraw/zinc/45/32/40/456453240.db2.gz SYNGHKRUBVLQOR-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN CC(C)[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C(F)(F)F ZINC000348101470 456480143 /nfs/dbraw/zinc/48/01/43/456480143.db2.gz AQSFBBKJBOPNME-LBPRGKRZSA-N 0 0 329.278 3.393 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCc1ccccn1 ZINC000276594473 456525645 /nfs/dbraw/zinc/52/56/45/456525645.db2.gz NKWHHWNJFUTDOB-UHFFFAOYSA-N 0 0 333.775 3.266 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C)cn2c1 ZINC000348203649 456534894 /nfs/dbraw/zinc/53/48/94/456534894.db2.gz BPFYAOCOWMMUMG-UHFFFAOYSA-N 0 0 340.339 3.202 10 5 EGBERN C[N@H+](CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000305433199 456546594 /nfs/dbraw/zinc/54/65/94/456546594.db2.gz VKZMQZBULGIRBU-UHFFFAOYSA-N 0 0 343.383 3.227 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348287739 456599634 /nfs/dbraw/zinc/59/96/34/456599634.db2.gz VXTNCCQZWIEQTO-BREBYQMCSA-N 0 0 345.321 3.195 10 5 EGBERN COc1cc(C(=O)NCc2ccc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000338003122 456649694 /nfs/dbraw/zinc/64/96/94/456649694.db2.gz FVNQYIWWWQSISQ-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC=C(C(F)(F)F)CC2)c1 ZINC000323251067 456653020 /nfs/dbraw/zinc/65/30/20/456653020.db2.gz DVPKQWBVRCVSBP-UHFFFAOYSA-N 0 0 330.262 3.080 10 5 EGBERN Cn1cc(Nc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cn1 ZINC000348427640 456684289 /nfs/dbraw/zinc/68/42/89/456684289.db2.gz ZFMZEMOFDXHALS-UHFFFAOYSA-N 0 0 337.339 3.324 10 5 EGBERN CCOC(=O)c1ccnc(N2Cc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000340804763 456693924 /nfs/dbraw/zinc/69/39/24/456693924.db2.gz UCJGAVGOOLJBAX-LLVKDONJSA-N 0 0 327.340 3.248 10 5 EGBERN C[C@@H](NC(=O)c1cccc2ccc(=O)[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000343626407 456754651 /nfs/dbraw/zinc/75/46/51/456754651.db2.gz ZXBQUMVOSNYPAS-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN Cc1noc(C)c1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348576397 456775397 /nfs/dbraw/zinc/77/53/97/456775397.db2.gz OEQLEJHOMOZQSP-UHFFFAOYSA-N 0 0 343.261 3.148 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(F)c(F)c1 ZINC000340964412 456786635 /nfs/dbraw/zinc/78/66/35/456786635.db2.gz YENNFZGVMZTXPQ-UHFFFAOYSA-N 0 0 342.248 3.010 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000338450488 456827989 /nfs/dbraw/zinc/82/79/89/456827989.db2.gz BOOGWNWMCHTDMX-AWEZNQCLSA-N 0 0 337.445 3.111 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000292090466 456852111 /nfs/dbraw/zinc/85/21/11/456852111.db2.gz DDGXUTHSELUPLO-NSHDSACASA-N 0 0 349.387 3.113 10 5 EGBERN Cc1oc2ccccc2c1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344828933 456866013 /nfs/dbraw/zinc/86/60/13/456866013.db2.gz QERPTTYIUZBPRO-UHFFFAOYSA-N 0 0 339.351 3.204 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)n1 ZINC000348826764 456873208 /nfs/dbraw/zinc/87/32/08/456873208.db2.gz GHDXNRDPWLCPRX-AWEZNQCLSA-N 0 0 342.399 3.058 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000353738431 456881369 /nfs/dbraw/zinc/88/13/69/456881369.db2.gz MVKFOPJRLULMQE-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000344990190 456888458 /nfs/dbraw/zinc/88/84/58/456888458.db2.gz KEQMYTOEZJLIGI-LBPRGKRZSA-N 0 0 329.356 3.106 10 5 EGBERN Cc1nc(C(C)C)ccc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339076328 456929008 /nfs/dbraw/zinc/92/90/08/456929008.db2.gz DBHITNCVMQLWCL-UHFFFAOYSA-N 0 0 326.400 3.375 10 5 EGBERN COc1c(F)ccc(F)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341772637 456937538 /nfs/dbraw/zinc/93/75/38/456937538.db2.gz YBVLGPRADCIPJX-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cc1cn2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2n1 ZINC000339120005 456949329 /nfs/dbraw/zinc/94/93/29/456949329.db2.gz WAIXLXUSYKSYHP-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000349388099 456960902 /nfs/dbraw/zinc/96/09/02/456960902.db2.gz UOELNPUWNKCUQR-ZCFIWIBFSA-N 0 0 329.143 3.116 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000339144865 456962464 /nfs/dbraw/zinc/96/24/64/456962464.db2.gz TZVPMTLXFMNFFC-CYBMUJFWSA-N 0 0 346.387 3.144 10 5 EGBERN COc1cc2c(cc1F)CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000346259175 457027333 /nfs/dbraw/zinc/02/73/33/457027333.db2.gz JFCNGIUCGCZNNP-UHFFFAOYSA-N 0 0 337.738 3.354 10 5 EGBERN COc1cc(-c2nc([C@@](C)(OC)C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000354083243 457050679 /nfs/dbraw/zinc/05/06/79/457050679.db2.gz NYSOBMUTOFZINL-INIZCTEOSA-N 0 0 333.344 3.233 10 5 EGBERN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330532083 457054275 /nfs/dbraw/zinc/05/42/75/457054275.db2.gz MWCVTOYJPMBXFC-LBPRGKRZSA-N 0 0 347.415 3.089 10 5 EGBERN Cc1ccc(-n2nnnc2Sc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359101316 457054553 /nfs/dbraw/zinc/05/45/53/457054553.db2.gz FEROQNWWQNUQNC-UHFFFAOYSA-N 0 0 342.384 3.042 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc3sccc3c2)no1 ZINC000356600592 457076447 /nfs/dbraw/zinc/07/64/47/457076447.db2.gz XPNWCAXKOVHHBO-UHFFFAOYSA-N 0 0 327.325 3.260 10 5 EGBERN C[C@H](F)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356657305 457106194 /nfs/dbraw/zinc/10/61/94/457106194.db2.gz TYSSSGPQVSYRCW-ZDUSSCGKSA-N 0 0 337.395 3.309 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000342115787 457116389 /nfs/dbraw/zinc/11/63/89/457116389.db2.gz UDPRTQVBWYGJNJ-UHFFFAOYSA-N 0 0 332.335 3.145 10 5 EGBERN CCO[C@@H](C)c1noc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000349967351 457125523 /nfs/dbraw/zinc/12/55/23/457125523.db2.gz GYLZRSIOFKKWFS-LBPRGKRZSA-N 0 0 334.376 3.016 10 5 EGBERN CCOc1ccc(C(=O)NCCSCC(C)C)cc1[N+](=O)[O-] ZINC000339525220 457135284 /nfs/dbraw/zinc/13/52/84/457135284.db2.gz YJAOXABGQWYBPR-UHFFFAOYSA-N 0 0 326.418 3.113 10 5 EGBERN COc1coc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1=O ZINC000356736084 457142645 /nfs/dbraw/zinc/14/26/45/457142645.db2.gz NYBDIRYPLANZJI-UHFFFAOYSA-N 0 0 346.339 3.106 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000359963262 457173383 /nfs/dbraw/zinc/17/33/83/457173383.db2.gz IUTGHJOKOSOTEY-LSDHHAIUSA-N 0 0 342.351 3.354 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(CCCc3ccccc3Cl)no2)n1 ZINC000356807773 457177361 /nfs/dbraw/zinc/17/73/61/457177361.db2.gz LYAKKESGLFFZLF-UHFFFAOYSA-N 0 0 347.762 3.207 10 5 EGBERN Cc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc2n[nH]cc21 ZINC000362996750 457189862 /nfs/dbraw/zinc/18/98/62/457189862.db2.gz LUNZCCMQFFNRPI-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cnc4cnccc4c3)n2)s1 ZINC000347076172 457218477 /nfs/dbraw/zinc/21/84/77/457218477.db2.gz FKBNKEXUCBPXPY-UHFFFAOYSA-N 0 0 325.309 3.317 10 5 EGBERN CCc1nn(C)c(N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000354536408 457275423 /nfs/dbraw/zinc/27/54/23/457275423.db2.gz GRNYLBWZXBXDKO-USBNGQNGSA-N 0 0 330.388 3.256 10 5 EGBERN O=C(NCc1ccoc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347182141 457275555 /nfs/dbraw/zinc/27/55/55/457275555.db2.gz KIEPUJQKOZTMBM-UHFFFAOYSA-N 0 0 340.133 3.272 10 5 EGBERN CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])nc3)ccc2NC1=O ZINC000342438876 457304305 /nfs/dbraw/zinc/30/43/05/457304305.db2.gz QCGCXSJOMGHKEC-YGRLFVJLSA-N 0 0 342.355 3.272 10 5 EGBERN Cc1c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1CC(C)C ZINC000347314206 457347913 /nfs/dbraw/zinc/34/79/13/457347913.db2.gz IQMALBKGFYNJEP-UHFFFAOYSA-N 0 0 341.371 3.489 10 5 EGBERN O=C(N[C@@H]1CC12CC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000424968815 457391195 /nfs/dbraw/zinc/39/11/95/457391195.db2.gz JVZKQEPRARQOLB-QGZVFWFLSA-N 0 0 338.363 3.456 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425023019 457408094 /nfs/dbraw/zinc/40/80/94/457408094.db2.gz XTQVTBNANBFZBE-YJBOKZPZSA-N 0 0 344.342 3.361 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000425027964 457409598 /nfs/dbraw/zinc/40/95/98/457409598.db2.gz FOCVEYMYYLPUBT-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357282103 457419669 /nfs/dbraw/zinc/41/96/69/457419669.db2.gz JTESQNXTMLGTAW-UHFFFAOYSA-N 0 0 342.355 3.124 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000363731877 457431558 /nfs/dbraw/zinc/43/15/58/457431558.db2.gz CUEMKNFWAZDTCC-ZBFHGGJFSA-N 0 0 345.399 3.134 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)cc1 ZINC000369907859 457454667 /nfs/dbraw/zinc/45/46/67/457454667.db2.gz HMPRQIKDINWRJA-HNNXBMFYSA-N 0 0 326.352 3.239 10 5 EGBERN COc1cc(CN(C)c2cc([N+](=O)[O-])ccc2C(C)=O)cc(OC)c1 ZINC000360962369 457471014 /nfs/dbraw/zinc/47/10/14/457471014.db2.gz YFVGPGSHHFNPOW-UHFFFAOYSA-N 0 0 344.367 3.451 10 5 EGBERN COCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)o1 ZINC000357399208 457496630 /nfs/dbraw/zinc/49/66/30/457496630.db2.gz INBWWYCQQIPBKP-UHFFFAOYSA-N 0 0 329.312 3.283 10 5 EGBERN Nc1c(F)c(NCc2cnn(Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000356164479 457498662 /nfs/dbraw/zinc/49/86/62/457498662.db2.gz BBPAQTGQWHFTQB-UHFFFAOYSA-N 0 0 341.346 3.173 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cc(=O)[nH]c3ccccc32)no1 ZINC000347569769 457516873 /nfs/dbraw/zinc/51/68/73/457516873.db2.gz LOPRVIZKUHGRCL-UHFFFAOYSA-N 0 0 349.306 3.269 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3nc4ccccc4n3C3CC3)nc2c1 ZINC000357451720 457538033 /nfs/dbraw/zinc/53/80/33/457538033.db2.gz GSZDUOYATFVUJL-UHFFFAOYSA-N 0 0 348.366 3.190 10 5 EGBERN C[C@H]1C[C@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357478767 457554080 /nfs/dbraw/zinc/55/40/80/457554080.db2.gz NKUBUGQLPZRKLK-VHSXEESVSA-N 0 0 328.328 3.409 10 5 EGBERN COc1c(C(=O)N2CCCC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000356292698 457557709 /nfs/dbraw/zinc/55/77/09/457557709.db2.gz ZKJPPBZVHGPOBO-OAHLLOKOSA-N 0 0 343.383 3.309 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000425505499 457580122 /nfs/dbraw/zinc/58/01/22/457580122.db2.gz BKCFYUUWUOILPQ-KRWDZBQOSA-N 0 0 338.379 3.288 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000425610607 457611713 /nfs/dbraw/zinc/61/17/13/457611713.db2.gz QHNUZNBRYKYJDQ-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(OCc2ccccc2)cc1 ZINC000409741198 457616969 /nfs/dbraw/zinc/61/69/69/457616969.db2.gz OBARUNMSIWCXEY-UHFFFAOYSA-N 0 0 336.347 3.384 10 5 EGBERN CSc1cccc(C(=O)N2CCC(c3c[nH]cn3)CC2)c1[N+](=O)[O-] ZINC000364503463 457626894 /nfs/dbraw/zinc/62/68/94/457626894.db2.gz JXLQADZOGLJETH-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(C)C ZINC000410510966 457645147 /nfs/dbraw/zinc/64/51/47/457645147.db2.gz QEKYQMRKHYSSEF-SNVBAGLBSA-N 0 0 348.321 3.499 10 5 EGBERN Cc1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370515189 457664437 /nfs/dbraw/zinc/66/44/37/457664437.db2.gz RUGYHCSINOHATL-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374703607 457691048 /nfs/dbraw/zinc/69/10/48/457691048.db2.gz VWVPCEZJJXNPGJ-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000370723812 457706679 /nfs/dbraw/zinc/70/66/79/457706679.db2.gz WSSWYWKMJRTYBR-INIZCTEOSA-N 0 0 327.384 3.063 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCC2CC2)CC1 ZINC000374972626 457743155 /nfs/dbraw/zinc/74/31/55/457743155.db2.gz WSNORGFWIOVOBW-WYMLVPIESA-N 0 0 344.411 3.416 10 5 EGBERN C[C@H]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358024897 457743587 /nfs/dbraw/zinc/74/35/87/457743587.db2.gz IQZLYQHPAJVHTK-VHSXEESVSA-N 0 0 328.315 3.362 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000433547586 457847183 /nfs/dbraw/zinc/84/71/83/457847183.db2.gz HWDZHIIPRXKVMN-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1c(C(=O)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000371320165 457863622 /nfs/dbraw/zinc/86/36/22/457863622.db2.gz ZQYKDSBZEHUHEE-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000411572717 457921770 /nfs/dbraw/zinc/92/17/70/457921770.db2.gz RXWPIRCKZAYSNZ-UHFFFAOYSA-N 0 0 335.385 3.077 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C(F)F)CC1 ZINC000458149237 457946043 /nfs/dbraw/zinc/94/60/43/457946043.db2.gz QZBKNAAMYKKCFR-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN CCN(Cc1ccc(Cl)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427181422 457954532 /nfs/dbraw/zinc/95/45/32/457954532.db2.gz FYESDRYJRHXRGK-UHFFFAOYSA-N 0 0 336.779 3.127 10 5 EGBERN Cc1cc(OCC(=O)NC2CCC(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000458178967 457957326 /nfs/dbraw/zinc/95/73/26/457957326.db2.gz LEFFXXRHEIYDOG-UHFFFAOYSA-N 0 0 342.342 3.222 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)n1 ZINC000427400303 457982998 /nfs/dbraw/zinc/98/29/98/457982998.db2.gz UCTOBDRWDPXZDH-QWRGUYRKSA-N 0 0 346.362 3.098 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000458237550 457983052 /nfs/dbraw/zinc/98/30/52/457983052.db2.gz LVVBROXXKAJXME-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000362043167 458021464 /nfs/dbraw/zinc/02/14/64/458021464.db2.gz GKLZAISZJFHQHI-SECBINFHSA-N 0 0 342.138 3.093 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000434785858 458051252 /nfs/dbraw/zinc/05/12/52/458051252.db2.gz QJBVPMYFXLSYCE-UHFFFAOYSA-N 0 0 344.820 3.249 10 5 EGBERN Cc1cc(C(=O)N2CCC(c3nccc(C)n3)CC2)cc([N+](=O)[O-])c1 ZINC000371795414 458076966 /nfs/dbraw/zinc/07/69/66/458076966.db2.gz LTAAKGMGMRMBTJ-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000362342506 458115543 /nfs/dbraw/zinc/11/55/43/458115543.db2.gz BAYIFPPBENNDHX-AWEZNQCLSA-N 0 0 346.412 3.221 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000412218407 458131636 /nfs/dbraw/zinc/13/16/36/458131636.db2.gz RZLHNLKDTGUEGN-CABCVRRESA-N 0 0 348.399 3.023 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358694177 458154822 /nfs/dbraw/zinc/15/48/22/458154822.db2.gz FLHKTRZQXZFXSL-SJORKVTESA-N 0 0 326.352 3.023 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1C ZINC000436190281 458266547 /nfs/dbraw/zinc/26/65/47/458266547.db2.gz WDPGUKVYDTXEEQ-MFKMUULPSA-N 0 0 326.418 3.021 10 5 EGBERN Cn1c(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000412682589 458269217 /nfs/dbraw/zinc/26/92/17/458269217.db2.gz WGTGAVNUVUKGLM-HNNXBMFYSA-N 0 0 339.395 3.343 10 5 EGBERN CCCOc1cccnc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000429090699 458270322 /nfs/dbraw/zinc/27/03/22/458270322.db2.gz MFVWVULHIZHCQU-GFCCVEGCSA-N 0 0 329.356 3.270 10 5 EGBERN COc1cc(CSc2nc(C3CC3)cc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000436262629 458278068 /nfs/dbraw/zinc/27/80/68/458278068.db2.gz QVHFAFFEBWNLCZ-UHFFFAOYSA-N 0 0 333.369 3.269 10 5 EGBERN COCC[C@H]1CCCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376394494 458287603 /nfs/dbraw/zinc/28/76/03/458287603.db2.gz JVWCSQGMSIYDPM-LLVKDONJSA-N 0 0 336.417 3.243 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2nccc(C)n2)CC1 ZINC000376430718 458298749 /nfs/dbraw/zinc/29/87/49/458298749.db2.gz XFHOHLYGORNVOI-UHFFFAOYSA-N 0 0 340.383 3.280 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1cc(-c2ccncc2)n[nH]1 ZINC000436421795 458303064 /nfs/dbraw/zinc/30/30/64/458303064.db2.gz KCXFVRKIZNGZIU-UHFFFAOYSA-N 0 0 344.762 3.083 10 5 EGBERN C[C@H](CO)CSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447671829 458327820 /nfs/dbraw/zinc/32/78/20/458327820.db2.gz RPXDNUHFBORUJZ-ZCFIWIBFSA-N 0 0 346.277 3.364 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](COc4ccccc4)C3)nc2c1 ZINC000447676241 458328661 /nfs/dbraw/zinc/32/86/61/458328661.db2.gz QCALTXAPURRTSX-ZDUSSCGKSA-N 0 0 338.367 3.376 10 5 EGBERN O=[N+]([O-])c1ccccc1C=CCN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000372922320 458349486 /nfs/dbraw/zinc/34/94/86/458349486.db2.gz LNDNDCXNPLZGKM-BHMZLHOFSA-N 0 0 335.367 3.105 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215659 458423350 /nfs/dbraw/zinc/42/33/50/458423350.db2.gz CNJXMRBPOFWNGC-CYBMUJFWSA-N 0 0 332.322 3.445 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000377118595 458467410 /nfs/dbraw/zinc/46/74/10/458467410.db2.gz YMYRXQKPHHBJKF-KRWDZBQOSA-N 0 0 329.331 3.009 10 5 EGBERN CS[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000452551187 458502058 /nfs/dbraw/zinc/50/20/58/458502058.db2.gz HPUCJPYANGGVSL-LBPRGKRZSA-N 0 0 338.432 3.259 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000460202319 458504988 /nfs/dbraw/zinc/50/49/88/458504988.db2.gz OGORTROGHMLYQP-STQMWFEESA-N 0 0 329.404 3.498 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@](O)(C(F)F)C1 ZINC000452673528 458506557 /nfs/dbraw/zinc/50/65/57/458506557.db2.gz WLTYOGBKVMBPGC-LJQANCHMSA-N 0 0 342.345 3.230 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CSC[C@H]1COCCO1 ZINC000424121926 458563560 /nfs/dbraw/zinc/56/35/60/458563560.db2.gz JIBSVXQOAZYDPE-LLVKDONJSA-N 0 0 348.218 3.006 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000378055470 458612845 /nfs/dbraw/zinc/61/28/45/458612845.db2.gz XTMDUSWCBCXZRS-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000439124635 458658176 /nfs/dbraw/zinc/65/81/76/458658176.db2.gz QUINNIWIDVCSTM-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN CO[C@H](C)CN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000439156992 458663906 /nfs/dbraw/zinc/66/39/06/458663906.db2.gz RYVNEXWBBHCIQL-LLVKDONJSA-N 0 0 328.796 3.442 10 5 EGBERN CCOC(=O)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463062053 458674000 /nfs/dbraw/zinc/67/40/00/458674000.db2.gz UHRJJJJNIFNSSY-OAHLLOKOSA-N 0 0 343.383 3.132 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503430565 458708186 /nfs/dbraw/zinc/70/81/86/458708186.db2.gz SDRJYHYXSBVPKG-HNNXBMFYSA-N 0 0 340.445 3.122 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000494675321 458725829 /nfs/dbraw/zinc/72/58/29/458725829.db2.gz ZMIRZXHPUSYTJM-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000456688421 458752662 /nfs/dbraw/zinc/75/26/62/458752662.db2.gz GWJQOGKWXBSHPO-SFHVURJKSA-N 0 0 332.400 3.361 10 5 EGBERN O=C(Nc1ccc(Cl)cc1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000530359421 458754791 /nfs/dbraw/zinc/75/47/91/458754791.db2.gz XMMJITZXXPHVEJ-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000530408877 458764225 /nfs/dbraw/zinc/76/42/25/458764225.db2.gz XDKYJJYXYSVAPE-UHFFFAOYSA-N 0 0 344.408 3.181 10 5 EGBERN COc1cc(F)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000464662172 458764277 /nfs/dbraw/zinc/76/42/77/458764277.db2.gz GJQCAXJDQWMSED-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN COC(=O)c1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000547767794 458788776 /nfs/dbraw/zinc/78/87/76/458788776.db2.gz JYWFNIQQYUVSII-LLVKDONJSA-N 0 0 332.331 3.371 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnn(C)c1C ZINC000548069153 458833186 /nfs/dbraw/zinc/83/31/86/458833186.db2.gz FLQLSDRYSFSOKZ-UHFFFAOYSA-N 0 0 348.428 3.021 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2ccccc2F)CC1 ZINC000519030686 458909406 /nfs/dbraw/zinc/90/94/06/458909406.db2.gz MREGCFPMDWUJRX-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000566482058 458945639 /nfs/dbraw/zinc/94/56/39/458945639.db2.gz MAVXVHDJAOSZJY-NSHDSACASA-N 0 0 334.294 3.150 10 5 EGBERN O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628753 458947682 /nfs/dbraw/zinc/94/76/82/458947682.db2.gz XILCTVBCLIPUDJ-UHFFFAOYSA-N 0 0 331.759 3.105 10 5 EGBERN CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531882526 458994275 /nfs/dbraw/zinc/99/42/75/458994275.db2.gz UJSVJOZNLNLUFE-UHFFFAOYSA-N 0 0 327.384 3.478 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000556825022 459016644 /nfs/dbraw/zinc/01/66/44/459016644.db2.gz AWKAIBGNBRIGQC-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CCOC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000566998799 459032856 /nfs/dbraw/zinc/03/28/56/459032856.db2.gz UUGQKUMFPXAANY-UHFFFAOYSA-N 0 0 345.399 3.084 10 5 EGBERN COCCCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137293 459036016 /nfs/dbraw/zinc/03/60/16/459036016.db2.gz HQSUJIHNEXKDKE-UHFFFAOYSA-N 0 0 343.383 3.059 10 5 EGBERN COC(=O)c1ccc(Oc2nc(C)cc(C)c2[N+](=O)[O-])cc1OC ZINC000477723788 459055804 /nfs/dbraw/zinc/05/58/04/459055804.db2.gz XFDAZVRJJJVMMN-UHFFFAOYSA-N 0 0 332.312 3.194 10 5 EGBERN Nc1cc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590062802 459074623 /nfs/dbraw/zinc/07/46/23/459074623.db2.gz LHBKCEBGAIFQMB-YEORSEQZSA-N 0 0 331.347 3.167 10 5 EGBERN CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532397866 459080199 /nfs/dbraw/zinc/08/01/99/459080199.db2.gz MSBHVKMMLJOWKJ-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN Cc1cc(Cc2noc(-c3ccn(C(C)(C)C)n3)n2)ccc1[N+](=O)[O-] ZINC000594531163 459081116 /nfs/dbraw/zinc/08/11/16/459081116.db2.gz YKWXPMYZUUMGSS-UHFFFAOYSA-N 0 0 341.371 3.496 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](OC3CCC3)C1)CCCC2 ZINC000594595358 459102271 /nfs/dbraw/zinc/10/22/71/459102271.db2.gz WESOSAYBWZAPSK-HNNXBMFYSA-N 0 0 331.416 3.407 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594597687 459103184 /nfs/dbraw/zinc/10/31/84/459103184.db2.gz FAQRIFABTSJXNE-VIFPVBQESA-N 0 0 327.331 3.320 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](C[C@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000594603343 459107531 /nfs/dbraw/zinc/10/75/31/459107531.db2.gz UJCZZTPGXZSYAC-BXKDBHETSA-N 0 0 344.293 3.383 10 5 EGBERN Cn1ncc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1C(F)F ZINC000590316309 459113826 /nfs/dbraw/zinc/11/38/26/459113826.db2.gz OVZVSEFKWLLCQA-UHFFFAOYSA-N 0 0 338.314 3.182 10 5 EGBERN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000594667855 459125793 /nfs/dbraw/zinc/12/57/93/459125793.db2.gz KCLSUTBRVBNNCJ-UHFFFAOYSA-N 0 0 340.364 3.355 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000567620876 459134949 /nfs/dbraw/zinc/13/49/49/459134949.db2.gz RLCYXQKOVWIZLM-LXZKKBNFSA-N 0 0 336.432 3.077 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000521623324 459166858 /nfs/dbraw/zinc/16/68/58/459166858.db2.gz SPJACJNIERRTIN-RYUDHWBXSA-N 0 0 327.365 3.170 10 5 EGBERN Cc1c(Br)c(=O)n(C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594898197 459169783 /nfs/dbraw/zinc/16/97/83/459169783.db2.gz IIDXCEFMUGRXNY-OUAUKWLOSA-N 0 0 341.205 3.264 10 5 EGBERN CC(C)O[C@@]1(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCOC1 ZINC000594898532 459169823 /nfs/dbraw/zinc/16/98/23/459169823.db2.gz UELFKYVWZFLKRM-QGZVFWFLSA-N 0 0 331.372 3.042 10 5 EGBERN Nc1cc(NCC[C@H]2CCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000590706947 459190079 /nfs/dbraw/zinc/19/00/79/459190079.db2.gz FEECRJXBSQPWNF-CYBMUJFWSA-N 0 0 327.384 3.201 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(OC(F)F)CC2)c1 ZINC000590736020 459199988 /nfs/dbraw/zinc/19/99/88/459199988.db2.gz UHXRKUVEBDCIRY-UHFFFAOYSA-N 0 0 344.314 3.344 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000480727663 459215020 /nfs/dbraw/zinc/21/50/20/459215020.db2.gz DICSWEVNACQQLT-TWGQIWQCSA-N 0 0 346.408 3.203 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078490 459239747 /nfs/dbraw/zinc/23/97/47/459239747.db2.gz CQLKLNXVTBSSAY-DZGCQCFKSA-N 0 0 336.342 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(OC(F)F)CC1 ZINC000590883827 459258187 /nfs/dbraw/zinc/25/81/87/459258187.db2.gz CULPTGXIFIKTMS-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN CC(C)C1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000590941698 459278295 /nfs/dbraw/zinc/27/82/95/459278295.db2.gz SETZMIRGQXPVRQ-UHFFFAOYSA-N 0 0 330.388 3.106 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000496668601 459280174 /nfs/dbraw/zinc/28/01/74/459280174.db2.gz FGXMUEMGPKVYRB-LLVKDONJSA-N 0 0 348.790 3.163 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595444354 459304475 /nfs/dbraw/zinc/30/44/75/459304475.db2.gz XRSTVBBNWAXFKS-CYBMUJFWSA-N 0 0 338.379 3.288 10 5 EGBERN O=C(CCCc1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000568531212 459305487 /nfs/dbraw/zinc/30/54/87/459305487.db2.gz XMJMTXNAESWHAY-UHFFFAOYSA-N 0 0 343.358 3.037 10 5 EGBERN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595469225 459313661 /nfs/dbraw/zinc/31/36/61/459313661.db2.gz ODEYVNZSOWYZLY-GRTSSRMGSA-N 0 0 337.395 3.353 10 5 EGBERN C[C@@H](CC(C)(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482968625 459332773 /nfs/dbraw/zinc/33/27/73/459332773.db2.gz ZCOCIDMSBBCINZ-JTQLQIEISA-N 0 0 331.376 3.391 10 5 EGBERN O=C(Nc1ccc2c(c1)CCO2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534570099 459334650 /nfs/dbraw/zinc/33/46/50/459334650.db2.gz AQKQOLDNOMHBTP-UHFFFAOYSA-N 0 0 339.351 3.120 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C2CCC2)C1 ZINC000591263569 459343515 /nfs/dbraw/zinc/34/35/15/459343515.db2.gz XVTOQBOCYGYJDD-AWEZNQCLSA-N 0 0 327.388 3.017 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595561755 459347000 /nfs/dbraw/zinc/34/70/00/459347000.db2.gz CRBUFSWJNOHFKD-ZDUSSCGKSA-N 0 0 326.368 3.286 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000591511903 459394397 /nfs/dbraw/zinc/39/43/97/459394397.db2.gz XWFCKKFDRBDTBS-INIZCTEOSA-N 0 0 339.395 3.311 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCCn1cnc2ccccc21 ZINC000582631167 459397625 /nfs/dbraw/zinc/39/76/25/459397625.db2.gz PWWRJLQCCWTCRZ-UHFFFAOYSA-N 0 0 326.356 3.455 10 5 EGBERN CC[C@H](O)CN(Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000525127670 459418396 /nfs/dbraw/zinc/41/83/96/459418396.db2.gz LUDQNZMUNQZZNK-KRWDZBQOSA-N 0 0 330.384 3.381 10 5 EGBERN CO[C@@H](C)c1cccc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569231970 459419277 /nfs/dbraw/zinc/41/92/77/459419277.db2.gz BSXNFOTVGXCREE-SUMWQHHRSA-N 0 0 346.383 3.154 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](COc2ccccc2)C1 ZINC000484567650 459420161 /nfs/dbraw/zinc/42/01/61/459420161.db2.gz NZCHOKOYDGQFIZ-RDJZCZTQSA-N 0 0 342.395 3.436 10 5 EGBERN CCC[C@]1(C)CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000561262364 459436808 /nfs/dbraw/zinc/43/68/08/459436808.db2.gz IAUACIYFSGGGAA-QGZVFWFLSA-N 0 0 335.404 3.491 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(CCc3cccc(F)c3F)n2)c1 ZINC000541285157 459439502 /nfs/dbraw/zinc/43/95/02/459439502.db2.gz BZGBIYMWAKYWFL-UHFFFAOYSA-N 0 0 330.294 3.374 10 5 EGBERN CC1(C)CC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000595863610 459467484 /nfs/dbraw/zinc/46/74/84/459467484.db2.gz MXTFQLYZNVATHB-UHFFFAOYSA-N 0 0 347.415 3.336 10 5 EGBERN CCOC(=O)Cc1ccc(NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000591944589 459492495 /nfs/dbraw/zinc/49/24/95/459492495.db2.gz RIYQPQCPCJDJPX-UHFFFAOYSA-N 0 0 346.305 3.455 10 5 EGBERN COC(=O)Cc1ccc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000591986990 459505608 /nfs/dbraw/zinc/50/56/08/459505608.db2.gz GJMQZKTZDYBXIC-BETUJISGSA-N 0 0 336.388 3.068 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592076865 459520640 /nfs/dbraw/zinc/52/06/40/459520640.db2.gz JFZQOJMJGSCNNF-OTVXOJSOSA-N 0 0 349.431 3.475 10 5 EGBERN COc1cc(N[C@H]2CCc3nc(C)ncc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596108998 459524542 /nfs/dbraw/zinc/52/45/42/459524542.db2.gz RIIPNZMTLHNJPV-NSHDSACASA-N 0 0 348.790 3.325 10 5 EGBERN COC(=O)c1c(Cl)c(NCCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596114351 459526894 /nfs/dbraw/zinc/52/68/94/459526894.db2.gz APLPWLDZDRLODI-UHFFFAOYSA-N 0 0 330.768 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(NCCc2ccc(C)nc2)ccc1[N+](=O)[O-] ZINC000596120862 459528085 /nfs/dbraw/zinc/52/80/85/459528085.db2.gz UJQZFHOTUABYRF-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@@H](c2cccs2)C1 ZINC000596161123 459544002 /nfs/dbraw/zinc/54/40/02/459544002.db2.gz SDZCYJCEJVRVFN-LLVKDONJSA-N 0 0 325.777 3.283 10 5 EGBERN COc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596170958 459546665 /nfs/dbraw/zinc/54/66/65/459546665.db2.gz BMJMDZMPXIKTSU-MNOVXSKESA-N 0 0 326.780 3.120 10 5 EGBERN COc1cc(N[C@H]2CCN(c3ccccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172034 459547229 /nfs/dbraw/zinc/54/72/29/459547229.db2.gz IAWNWQVGOCEADT-NSHDSACASA-N 0 0 348.790 3.343 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1nc2ccccc2n1C1CC1 ZINC000596192293 459556417 /nfs/dbraw/zinc/55/64/17/459556417.db2.gz OAORZOMJQBIIKZ-UHFFFAOYSA-N 0 0 343.774 3.362 10 5 EGBERN CCn1cccc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)c1=O ZINC000596216211 459563879 /nfs/dbraw/zinc/56/38/79/459563879.db2.gz WQLIETAONVPLFQ-UHFFFAOYSA-N 0 0 337.763 3.051 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596225846 459566642 /nfs/dbraw/zinc/56/66/42/459566642.db2.gz FCOJGEGMUOMNJN-INIZCTEOSA-N 0 0 335.310 3.218 10 5 EGBERN Cc1nc(C(C)C)oc1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000596239765 459571201 /nfs/dbraw/zinc/57/12/01/459571201.db2.gz MROHMTLRZUJYTI-UHFFFAOYSA-N 0 0 334.376 3.231 10 5 EGBERN O=C(NC1(Cc2ccccc2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000542591027 459573599 /nfs/dbraw/zinc/57/35/99/459573599.db2.gz REWRDCHZEZRGRE-UHFFFAOYSA-N 0 0 325.368 3.275 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCC2(CCC(O)CC2)CC1 ZINC000596256235 459577121 /nfs/dbraw/zinc/57/71/21/459577121.db2.gz CBELFWHQNFYKJU-UHFFFAOYSA-N 0 0 325.796 3.165 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1OCCO[C@@H]1CC1(F)F ZINC000596260223 459577916 /nfs/dbraw/zinc/57/79/16/459577916.db2.gz BSBDPSXTFUUWRG-SECBINFHSA-N 0 0 338.104 3.160 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2C[C@@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000596272326 459581163 /nfs/dbraw/zinc/58/11/63/459581163.db2.gz XPPMMUJAJVGSLT-UTLUCORTSA-N 0 0 342.779 3.260 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cnn(CC(=O)OC(C)(C)C)c1 ZINC000592368798 459582173 /nfs/dbraw/zinc/58/21/73/459582173.db2.gz WVBMBWWFGNGIIT-UHFFFAOYSA-N 0 0 346.387 3.054 10 5 EGBERN COC(=O)c1cccc2c1CN(c1cc(C)sc1[N+](=O)[O-])CC2 ZINC000596291881 459586922 /nfs/dbraw/zinc/58/69/22/459586922.db2.gz LQHKAVGTUSMLOV-UHFFFAOYSA-N 0 0 332.381 3.314 10 5 EGBERN CC(C)(C)N1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000596307853 459591315 /nfs/dbraw/zinc/59/13/15/459591315.db2.gz PNFGFEZHLIHYCH-SECBINFHSA-N 0 0 343.225 3.037 10 5 EGBERN COC(=O)c1cc(NC[C@@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000596311962 459591878 /nfs/dbraw/zinc/59/18/78/459591878.db2.gz HPGDNPKTJVMTJS-GFCCVEGCSA-N 0 0 329.356 3.300 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ncnn21 ZINC000596343794 459602523 /nfs/dbraw/zinc/60/25/23/459602523.db2.gz CQYMKOQUAGYKCE-GMSGAONNSA-N 0 0 327.266 3.323 10 5 EGBERN CCc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1[N+](=O)[O-] ZINC000542915365 459610617 /nfs/dbraw/zinc/61/06/17/459610617.db2.gz LQTMMFOQQBEALH-UHFFFAOYSA-N 0 0 328.368 3.334 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000499097023 459620464 /nfs/dbraw/zinc/62/04/64/459620464.db2.gz BCXNMKUVMSYXPI-HOCLYGCPSA-N 0 0 349.431 3.301 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1C[C@H](O)C12CCC2 ZINC000596512734 459661963 /nfs/dbraw/zinc/66/19/63/459661963.db2.gz SNFGACORJHFOHG-MNOVXSKESA-N 0 0 327.178 3.073 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000596444378 459639012 /nfs/dbraw/zinc/63/90/12/459639012.db2.gz RWQJQWIHKGPMGC-SECBINFHSA-N 0 0 339.277 3.140 10 5 EGBERN O=[N+]([O-])c1cc(NCCO[C@@H]2CC2(F)F)ccc1C(F)(F)F ZINC000596447957 459639711 /nfs/dbraw/zinc/63/97/11/459639711.db2.gz OVXJDESSRDXNOC-SNVBAGLBSA-N 0 0 326.221 3.450 10 5 EGBERN Cc1nc(NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000592605740 459643233 /nfs/dbraw/zinc/64/32/33/459643233.db2.gz YPVAGZZUWNVVIQ-UHFFFAOYSA-N 0 0 349.387 3.139 10 5 EGBERN Cc1cc(N2CCC[C@@](O)(C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596464336 459645654 /nfs/dbraw/zinc/64/56/54/459645654.db2.gz WPUMBMJTCGVNDH-SFHVURJKSA-N 0 0 327.384 3.193 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000596472403 459649577 /nfs/dbraw/zinc/64/95/77/459649577.db2.gz ACKCCAMPQYKNHZ-TZMCWYRMSA-N 0 0 335.404 3.103 10 5 EGBERN Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596481670 459651069 /nfs/dbraw/zinc/65/10/69/459651069.db2.gz ZWUYMSLTUONYJR-YGRLFVJLSA-N 0 0 330.306 3.395 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000596481598 459651307 /nfs/dbraw/zinc/65/13/07/459651307.db2.gz CZFGDLYIMKLSII-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)n1 ZINC000596486640 459652869 /nfs/dbraw/zinc/65/28/69/459652869.db2.gz BNZKLBVJWRRPRT-HUUCEWRRSA-N 0 0 329.404 3.163 10 5 EGBERN COC(=O)C[C@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000596492785 459655987 /nfs/dbraw/zinc/65/59/87/459655987.db2.gz LKWJNUPURJZTPP-SNVBAGLBSA-N 0 0 342.779 3.258 10 5 EGBERN CC(=O)c1cc(NCc2c(C3CCC3)cnn2C)ccc1[N+](=O)[O-] ZINC000596505471 459659835 /nfs/dbraw/zinc/65/98/35/459659835.db2.gz ZAYNCFBRTZYJEJ-UHFFFAOYSA-N 0 0 328.372 3.411 10 5 EGBERN Cc1cc([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000596510991 459662209 /nfs/dbraw/zinc/66/22/09/459662209.db2.gz NXGSCIBFBUTXSV-SNVBAGLBSA-N 0 0 349.774 3.357 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000596526008 459665555 /nfs/dbraw/zinc/66/55/55/459665555.db2.gz OJONOLBVVYFBRR-ZDUSSCGKSA-N 0 0 338.429 3.015 10 5 EGBERN Cc1cc(Oc2cccc(C(=O)N3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000596524606 459666043 /nfs/dbraw/zinc/66/60/43/459666043.db2.gz AVYPYGPOZUNUNK-UHFFFAOYSA-N 0 0 327.340 3.327 10 5 EGBERN COc1cc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000543510620 459666091 /nfs/dbraw/zinc/66/60/91/459666091.db2.gz CIIFDTVNTHIBOG-HNNXBMFYSA-N 0 0 338.404 3.059 10 5 EGBERN CCC(=O)c1ccc(NCC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000596549247 459672729 /nfs/dbraw/zinc/67/27/29/459672729.db2.gz HFKZFYGYMBYXFM-UHFFFAOYSA-N 0 0 347.415 3.425 10 5 EGBERN C[C@H](O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000596567756 459679042 /nfs/dbraw/zinc/67/90/42/459679042.db2.gz VOOYZMJFTFOGER-BBATYDOGSA-N 0 0 341.367 3.014 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592733799 459679108 /nfs/dbraw/zinc/67/91/08/459679108.db2.gz GAIOCIJGMGYHGT-ATZCPNFKSA-N 0 0 339.189 3.276 10 5 EGBERN COc1cc(OCC(=O)N2CCCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000592737703 459680813 /nfs/dbraw/zinc/68/08/13/459680813.db2.gz XJFZLVPAQJRYPZ-OAHLLOKOSA-N 0 0 348.399 3.163 10 5 EGBERN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C(F)F)O1 ZINC000596572018 459680920 /nfs/dbraw/zinc/68/09/20/459680920.db2.gz IZNPQPCRDALSFD-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000596572014 459681596 /nfs/dbraw/zinc/68/15/96/459681596.db2.gz IZBLLLSCXHOGRU-RFAUZJTJSA-N 0 0 328.315 3.046 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596597227 459691468 /nfs/dbraw/zinc/69/14/68/459691468.db2.gz MBKRHJHSFGBSON-UHFFFAOYSA-N 0 0 336.342 3.181 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000592818123 459697595 /nfs/dbraw/zinc/69/75/95/459697595.db2.gz BXWPJICWCCHZLF-GXTWGEPZSA-N 0 0 348.399 3.035 10 5 EGBERN CNc1ccc(C(=O)NC2(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000592828749 459699241 /nfs/dbraw/zinc/69/92/41/459699241.db2.gz IYZBFJAJLMOJOY-UHFFFAOYSA-N 0 0 341.367 3.064 10 5 EGBERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]2C ZINC000543789237 459700676 /nfs/dbraw/zinc/70/06/76/459700676.db2.gz XYOUMQXXWPSEPG-NEPJUHHUSA-N 0 0 341.367 3.146 10 5 EGBERN Cc1c(NC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636886 459708529 /nfs/dbraw/zinc/70/85/29/459708529.db2.gz YFJGGWCXXOWJTB-RFAUZJTJSA-N 0 0 343.330 3.180 10 5 EGBERN Cc1c(NC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636884 459708722 /nfs/dbraw/zinc/70/87/22/459708722.db2.gz YFJGGWCXXOWJTB-BJOHPYRUSA-N 0 0 343.330 3.180 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000592876086 459709693 /nfs/dbraw/zinc/70/96/93/459709693.db2.gz WLKSRTHONFJXOG-FZNQNYSPSA-N 0 0 349.431 3.249 10 5 EGBERN CC(C)[C@@H](O)Cc1ccccc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000596647374 459712620 /nfs/dbraw/zinc/71/26/20/459712620.db2.gz HWZRBPPTOOQGCN-IBGZPJMESA-N 0 0 329.396 3.356 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000573705856 459722511 /nfs/dbraw/zinc/72/25/11/459722511.db2.gz JZRHSHIXFCZUHI-MWLCHTKSSA-N 0 0 346.305 3.467 10 5 EGBERN CN(C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593020371 459742324 /nfs/dbraw/zinc/74/23/24/459742324.db2.gz SWZKQLJHVMJXLY-OLZOCXBDSA-N 0 0 348.399 3.316 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(C1)Oc1ccccc1O2 ZINC000584476097 459749506 /nfs/dbraw/zinc/74/95/06/459749506.db2.gz OAQGABPHNQVFSD-ALCCZGGFSA-N 0 0 338.363 3.481 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593131169 459783570 /nfs/dbraw/zinc/78/35/70/459783570.db2.gz HHWZNVSJWHWWHL-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596913196 459794222 /nfs/dbraw/zinc/79/42/22/459794222.db2.gz SYKGQXUZYWPJMB-GFCCVEGCSA-N 0 0 333.388 3.333 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000593179763 459798966 /nfs/dbraw/zinc/79/89/66/459798966.db2.gz JXHGFBUKACIDNS-GDBMZVCRSA-N 0 0 328.343 3.196 10 5 EGBERN Cc1cccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)c1[N+](=O)[O-] ZINC000593213668 459809098 /nfs/dbraw/zinc/80/90/98/459809098.db2.gz SDGBCIIXOKVDOK-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1sc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000593215751 459810144 /nfs/dbraw/zinc/81/01/44/459810144.db2.gz OQFBELJWVOHMHN-UHFFFAOYSA-N 0 0 333.369 3.196 10 5 EGBERN Cc1ccc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000593237148 459816363 /nfs/dbraw/zinc/81/63/63/459816363.db2.gz JZZDWKLWDFDOQP-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN COc1cc(F)c(OCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000593241465 459818003 /nfs/dbraw/zinc/81/80/03/459818003.db2.gz NNGRRTVQOFCPAB-UHFFFAOYSA-N 0 0 337.303 3.209 10 5 EGBERN Cc1nc2ncc([N+](=O)[O-])c(Cl)c2cc1I ZINC000584882191 459818482 /nfs/dbraw/zinc/81/84/82/459818482.db2.gz SRXFZAYEJJNOET-UHFFFAOYSA-N 0 0 349.515 3.104 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CCCOC1 ZINC000593294245 459831984 /nfs/dbraw/zinc/83/19/84/459831984.db2.gz HFAPCXUJYYPYAJ-CQSZACIVSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000593296886 459832598 /nfs/dbraw/zinc/83/25/98/459832598.db2.gz VHJHDZVNVZNFRL-HZMBPMFUSA-N 0 0 339.355 3.321 10 5 EGBERN Nc1c(NC(=O)N[C@@H]2CCCC[C@H]2F)cc(Cl)cc1[N+](=O)[O-] ZINC000597089612 459834418 /nfs/dbraw/zinc/83/44/18/459834418.db2.gz CJRDBVYNLZFYEQ-RKDXNWHRSA-N 0 0 330.747 3.233 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090559 459835859 /nfs/dbraw/zinc/83/58/59/459835859.db2.gz NMARZBNAYFHTTG-QMMMGPOBSA-N 0 0 326.784 3.483 10 5 EGBERN CCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585757000 459841081 /nfs/dbraw/zinc/84/10/81/459841081.db2.gz OFVUUCWNBLKVEC-UHFFFAOYSA-N 0 0 335.404 3.137 10 5 EGBERN Cc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc2[nH]cnc21 ZINC000545732881 459851151 /nfs/dbraw/zinc/85/11/51/459851151.db2.gz WMUIXUXYKJEJSK-UHFFFAOYSA-N 0 0 335.323 3.420 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000593357488 459861815 /nfs/dbraw/zinc/86/18/15/459861815.db2.gz GGJMUUPLHYANBL-LBPRGKRZSA-N 0 0 336.388 3.096 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1CCC2(CC2(F)F)CC1 ZINC000598317686 459862741 /nfs/dbraw/zinc/86/27/41/459862741.db2.gz MLCIWEAZOAZGDW-UHFFFAOYSA-N 0 0 340.326 3.058 10 5 EGBERN CCOc1cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000586777531 459870033 /nfs/dbraw/zinc/87/00/33/459870033.db2.gz QXJVUXGLOPZJKX-QMTHXVAHSA-N 0 0 348.321 3.145 10 5 EGBERN Cc1ccc(CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587024746 459890480 /nfs/dbraw/zinc/89/04/80/459890480.db2.gz UXBKVOGNUJSQKY-UHFFFAOYSA-N 0 0 329.400 3.331 10 5 EGBERN CC(C)c1ccc(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000586957389 459890484 /nfs/dbraw/zinc/89/04/84/459890484.db2.gz KVEBJLNURDHGEA-UHFFFAOYSA-N 0 0 329.400 3.429 10 5 EGBERN CCOc1ccc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587079481 459891715 /nfs/dbraw/zinc/89/17/15/459891715.db2.gz UCTAGMFZEJMORI-NSHDSACASA-N 0 0 331.372 3.241 10 5 EGBERN CCOc1cccc([C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587553445 459893064 /nfs/dbraw/zinc/89/30/64/459893064.db2.gz KNYNCUFJKWOOTO-LLVKDONJSA-N 0 0 331.372 3.241 10 5 EGBERN CC(C)c1ccccc1OCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587975627 459897351 /nfs/dbraw/zinc/89/73/51/459897351.db2.gz FWBOSLDWIQJVRH-UHFFFAOYSA-N 0 0 345.399 3.284 10 5 EGBERN C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587985478 459898136 /nfs/dbraw/zinc/89/81/36/459898136.db2.gz IFYGCEIWHUXSGN-YJBOKZPZSA-N 0 0 336.351 3.386 10 5 EGBERN CCS[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587991584 459899153 /nfs/dbraw/zinc/89/91/53/459899153.db2.gz WSJQQICVNPDHDR-YPMHNXCESA-N 0 0 325.434 3.146 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598456293 459902416 /nfs/dbraw/zinc/90/24/16/459902416.db2.gz YPWRYDOGUBQSQD-SECBINFHSA-N 0 0 346.305 3.159 10 5 EGBERN CC(=O)c1ccc(NC[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000593484130 459903488 /nfs/dbraw/zinc/90/34/88/459903488.db2.gz NPOZGCCBPRZSOI-IBGZPJMESA-N 0 0 340.379 3.086 10 5 EGBERN CN(Cc1cc(Cl)ccc1F)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588034082 459905389 /nfs/dbraw/zinc/90/53/89/459905389.db2.gz GJJQINDOFOQEHI-UHFFFAOYSA-N 0 0 339.754 3.098 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](Cc2ccccc2)C1 ZINC000593505993 459909276 /nfs/dbraw/zinc/90/92/76/459909276.db2.gz ZTAFMYNGEPMUGI-OAHLLOKOSA-N 0 0 346.818 3.006 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC000597328886 459917254 /nfs/dbraw/zinc/91/72/54/459917254.db2.gz UMJMQVOEOYGYJX-HUUCEWRRSA-N 0 0 341.415 3.356 10 5 EGBERN CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCCO1 ZINC000602448260 459943681 /nfs/dbraw/zinc/94/36/81/459943681.db2.gz IABSGUNDAWNQHK-SECBINFHSA-N 0 0 349.250 3.420 10 5 EGBERN CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCCO1 ZINC000602448261 459944082 /nfs/dbraw/zinc/94/40/82/459944082.db2.gz IABSGUNDAWNQHK-VIFPVBQESA-N 0 0 349.250 3.420 10 5 EGBERN COc1cc(C(=O)NCC(C)(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000598581439 459950776 /nfs/dbraw/zinc/95/07/76/459950776.db2.gz NSDMQVUPNCQVLJ-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN CCCCCc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000597445601 459956573 /nfs/dbraw/zinc/95/65/73/459956573.db2.gz FCYKXHVIFCONOF-UHFFFAOYSA-N 0 0 342.359 3.179 10 5 EGBERN O=C(CN[C@@H](C(F)F)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000598651165 459977913 /nfs/dbraw/zinc/97/79/13/459977913.db2.gz WUBJZTLZUKUILE-OAHLLOKOSA-N 0 0 341.358 3.337 10 5 EGBERN CC(C)(C(=O)N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000588784720 459983446 /nfs/dbraw/zinc/98/34/46/459983446.db2.gz QHZMTJJIHFJXFO-LBPRGKRZSA-N 0 0 330.306 3.316 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](CC)CO1 ZINC000593790718 459986200 /nfs/dbraw/zinc/98/62/00/459986200.db2.gz JLQZMMQMSZPPFS-WCQYABFASA-N 0 0 331.372 3.106 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593792025 459987605 /nfs/dbraw/zinc/98/76/05/459987605.db2.gz GTZJSECUKSXJRV-HNNXBMFYSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000593792989 459988000 /nfs/dbraw/zinc/98/80/00/459988000.db2.gz YTTPYSLKWYXJBS-INIZCTEOSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([C@H](C)CO)CC1 ZINC000593829285 459999036 /nfs/dbraw/zinc/99/90/36/459999036.db2.gz CLCMRBGZLUAVIS-LLVKDONJSA-N 0 0 340.807 3.037 10 5 EGBERN COc1ccc(CC(=O)NCC[C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000609656270 460003354 /nfs/dbraw/zinc/00/33/54/460003354.db2.gz GRBJUOWCGWVUCG-KBPBESRZSA-N 0 0 334.416 3.479 10 5 EGBERN CC(C)(C)c1cc(Cn2ccc3c(cccc3[N+](=O)[O-])c2=O)no1 ZINC000575802581 460007621 /nfs/dbraw/zinc/00/76/21/460007621.db2.gz OFJFZHOJBIZING-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN COCC1(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000598729144 460008666 /nfs/dbraw/zinc/00/86/66/460008666.db2.gz BXTYFJJOHWIRTB-UHFFFAOYSA-N 0 0 334.416 3.193 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 ZINC000588937365 460009040 /nfs/dbraw/zinc/00/90/40/460009040.db2.gz FGDGLCFDESGDJK-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccc(OC)nc2)c1 ZINC000598732116 460010114 /nfs/dbraw/zinc/01/01/14/460010114.db2.gz IZIACXVXQAANSG-UHFFFAOYSA-N 0 0 348.380 3.218 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3cccnc3[N+](=O)[O-])C2)c1 ZINC000609765553 460014695 /nfs/dbraw/zinc/01/46/95/460014695.db2.gz AVMFELNTYSMZLU-ZDUSSCGKSA-N 0 0 328.372 3.079 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597665790 460022798 /nfs/dbraw/zinc/02/27/98/460022798.db2.gz NCYQBRYLOBZWKT-GFCCVEGCSA-N 0 0 332.278 3.159 10 5 EGBERN COc1cc(C(=O)Nc2nccc(C)c2C2CC2)ccc1[N+](=O)[O-] ZINC000598765651 460025100 /nfs/dbraw/zinc/02/51/00/460025100.db2.gz UBDVXPNVBDNWNW-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000597683683 460026021 /nfs/dbraw/zinc/02/60/21/460026021.db2.gz DPNGAHKMVNYWGJ-UHFFFAOYSA-N 0 0 347.371 3.018 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593979961 460039200 /nfs/dbraw/zinc/03/92/00/460039200.db2.gz LBGRLUAPHBWWGX-UHFFFAOYSA-N 0 0 348.399 3.386 10 5 EGBERN Cc1cccc(COCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000598805179 460042604 /nfs/dbraw/zinc/04/26/04/460042604.db2.gz FNTRDAZLTMUUBN-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598809177 460044803 /nfs/dbraw/zinc/04/48/03/460044803.db2.gz HFQHECBRQGBSAP-NILFDRSVSA-N 0 0 326.356 3.155 10 5 EGBERN COCC1(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CCCCC1 ZINC000598822680 460051776 /nfs/dbraw/zinc/05/17/76/460051776.db2.gz XFIWPXLJVXDACW-UHFFFAOYSA-N 0 0 332.400 3.471 10 5 EGBERN Cc1cn2cc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000610018746 460052097 /nfs/dbraw/zinc/05/20/97/460052097.db2.gz NKLQYWACJJPORH-GFCCVEGCSA-N 0 0 339.355 3.434 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(C)c([N+](=O)[O-])c1 ZINC000598833723 460057718 /nfs/dbraw/zinc/05/77/18/460057718.db2.gz YYVSRBLUTYOXDP-CYZMBNFOSA-N 0 0 332.356 3.065 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000594023900 460060685 /nfs/dbraw/zinc/06/06/85/460060685.db2.gz NPPKAHUJTNTHGX-SFHVURJKSA-N 0 0 340.379 3.257 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610182451 460076613 /nfs/dbraw/zinc/07/66/13/460076613.db2.gz VLGBXCHVDURNSX-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCCO1 ZINC000594055286 460077223 /nfs/dbraw/zinc/07/72/23/460077223.db2.gz KEQWKTIVYJTYOU-SWLSCSKDSA-N 0 0 337.376 3.073 10 5 EGBERN C[C@@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000598880240 460081782 /nfs/dbraw/zinc/08/17/82/460081782.db2.gz HUHCNIZIFQGHLX-SUMWQHHRSA-N 0 0 332.400 3.469 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCc2cccnc21 ZINC000594069552 460085846 /nfs/dbraw/zinc/08/58/46/460085846.db2.gz DTYLEOHWAIUKDF-UHFFFAOYSA-N 0 0 338.367 3.157 10 5 EGBERN CC(C)CCc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000597870157 460088169 /nfs/dbraw/zinc/08/81/69/460088169.db2.gz MYECWGPYOXBPGD-UHFFFAOYSA-N 0 0 334.401 3.216 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](C(F)F)C1CCCCC1 ZINC000598895661 460088855 /nfs/dbraw/zinc/08/88/55/460088855.db2.gz QYLURFILCYLABU-HNNXBMFYSA-N 0 0 342.342 3.304 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](C(F)F)C1CCCCC1 ZINC000598895832 460089164 /nfs/dbraw/zinc/08/91/64/460089164.db2.gz WIJIJSROMBXBKR-OAHLLOKOSA-N 0 0 326.343 3.468 10 5 EGBERN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC000610233909 460091090 /nfs/dbraw/zinc/09/10/90/460091090.db2.gz HXQLIPHCQLDKMY-MRXNPFEDSA-N 0 0 331.397 3.428 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594081825 460092925 /nfs/dbraw/zinc/09/29/25/460092925.db2.gz VTSJHWDCBZJMPF-JKSUJKDBSA-N 0 0 333.388 3.372 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCc2nc(C(C)C)ncc2C1 ZINC000598933551 460094099 /nfs/dbraw/zinc/09/40/99/460094099.db2.gz WPUVGRXQXLJDSQ-UHFFFAOYSA-N 0 0 340.383 3.274 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000598943375 460097320 /nfs/dbraw/zinc/09/73/20/460097320.db2.gz SRCVHIIPRGHBOU-UHFFFAOYSA-N 0 0 331.759 3.463 10 5 EGBERN Cc1c([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943781 460097930 /nfs/dbraw/zinc/09/79/30/460097930.db2.gz YCRVDMKJGSRKRE-ACJLOTCBSA-N 0 0 339.395 3.267 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCc2nccc(Br)c2C1 ZINC000598946610 460098281 /nfs/dbraw/zinc/09/82/81/460098281.db2.gz TXDQMUKHNQUEDY-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000594094716 460098339 /nfs/dbraw/zinc/09/83/39/460098339.db2.gz NPNIIUONIYQUJN-LLVKDONJSA-N 0 0 339.392 3.176 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCc2cccnc21 ZINC000598949416 460098819 /nfs/dbraw/zinc/09/88/19/460098819.db2.gz BBJYBZGBEZHMCR-HNNXBMFYSA-N 0 0 339.395 3.375 10 5 EGBERN C[C@@]1(C2CC2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000597923465 460113463 /nfs/dbraw/zinc/11/34/63/460113463.db2.gz KZVPXAFVECQWMS-KRWDZBQOSA-N 0 0 346.408 3.451 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000597952943 460124629 /nfs/dbraw/zinc/12/46/29/460124629.db2.gz YLGCUDMEGIFLKR-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1noc(C2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)n1 ZINC000599028635 460132431 /nfs/dbraw/zinc/13/24/31/460132431.db2.gz YRDRGQNMFUTTHL-UHFFFAOYSA-N 0 0 339.355 3.218 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594165439 460134984 /nfs/dbraw/zinc/13/49/84/460134984.db2.gz PRPKJXJMRMSLAU-DGCLKSJQSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594171942 460136374 /nfs/dbraw/zinc/13/63/74/460136374.db2.gz DAPTYRVUAUTWTH-WBVHZDCISA-N 0 0 345.399 3.013 10 5 EGBERN C[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000576410597 460137516 /nfs/dbraw/zinc/13/75/16/460137516.db2.gz MYKCNXRMHIHCPM-NSHDSACASA-N 0 0 330.388 3.433 10 5 EGBERN O=[N+]([O-])c1c(NCCc2cnc(C3CC3)nc2)ccc2cnccc21 ZINC000599058594 460145231 /nfs/dbraw/zinc/14/52/31/460145231.db2.gz KDXHFNIUNQXCSE-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063269 460147752 /nfs/dbraw/zinc/14/77/52/460147752.db2.gz YGFOIMDUELFNAJ-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594207372 460151497 /nfs/dbraw/zinc/15/14/97/460151497.db2.gz YPOJZCSYJYWQPB-LLVKDONJSA-N 0 0 338.791 3.470 10 5 EGBERN O=[N+]([O-])c1c(NCCOCC(F)(F)C(F)F)ccc2cnccc21 ZINC000599073134 460152789 /nfs/dbraw/zinc/15/27/89/460152789.db2.gz LOQRBPYTXDOPJK-UHFFFAOYSA-N 0 0 347.268 3.472 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000598048899 460153487 /nfs/dbraw/zinc/15/34/87/460153487.db2.gz RLWXEXAAGMFKQV-ZDUSSCGKSA-N 0 0 348.399 3.166 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594212253 460154549 /nfs/dbraw/zinc/15/45/49/460154549.db2.gz LXMPCLRCMYGRCG-AFAVFJNCSA-N 0 0 347.415 3.303 10 5 EGBERN CCn1nnc(C)c1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000599089043 460157343 /nfs/dbraw/zinc/15/73/43/460157343.db2.gz LLFPRFGUFYMZKK-UHFFFAOYSA-N 0 0 330.175 3.434 10 5 EGBERN CC(C)(NC(=O)N[C@@H]1CCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000589932549 460161027 /nfs/dbraw/zinc/16/10/27/460161027.db2.gz KUAKATGOGXFNDC-GFCCVEGCSA-N 0 0 327.331 3.317 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000599102749 460161590 /nfs/dbraw/zinc/16/15/90/460161590.db2.gz TXHXZRLWBFOSSJ-CYBMUJFWSA-N 0 0 335.367 3.235 10 5 EGBERN CC1(C)C[C@H](Sc2ncc([N+](=O)[O-])cc2Br)CO1 ZINC000599125827 460169079 /nfs/dbraw/zinc/16/90/79/460169079.db2.gz SCDKXNRRNMREHE-QMMMGPOBSA-N 0 0 333.207 3.412 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)c1 ZINC000599134013 460170249 /nfs/dbraw/zinc/17/02/49/460170249.db2.gz DRLYDEAENJRBNK-ZJUUUORDSA-N 0 0 333.335 3.483 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000610526814 460176681 /nfs/dbraw/zinc/17/66/81/460176681.db2.gz YOFVHDDCAGHKNX-LBPRGKRZSA-N 0 0 340.383 3.098 10 5 EGBERN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000610526813 460176891 /nfs/dbraw/zinc/17/68/91/460176891.db2.gz YOFVHDDCAGHKNX-GFCCVEGCSA-N 0 0 340.383 3.098 10 5 EGBERN CC(C)(CNc1ccc2cnccc2c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169907 460185540 /nfs/dbraw/zinc/18/55/40/460185540.db2.gz JRQFODHWNWLPEA-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2CC(C)C)no1 ZINC000599183557 460191273 /nfs/dbraw/zinc/19/12/73/460191273.db2.gz YBJSQTVDMCDTEO-UHFFFAOYSA-N 0 0 341.371 3.397 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000599199545 460197519 /nfs/dbraw/zinc/19/75/19/460197519.db2.gz IGDORSBVFNOMBS-IHVVCDCBSA-N 0 0 333.388 3.267 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC23CC3)s1 ZINC000599205123 460198413 /nfs/dbraw/zinc/19/84/13/460198413.db2.gz FMCXURNHBSPVFX-VIFPVBQESA-N 0 0 330.431 3.052 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203049 460198571 /nfs/dbraw/zinc/19/85/71/460198571.db2.gz XJROROTVXJTOBG-UFFNRZRYSA-N 0 0 344.458 3.242 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594388727 460202036 /nfs/dbraw/zinc/20/20/36/460202036.db2.gz PMGKEJDXYGNPDI-UHFFFAOYSA-N 0 0 348.758 3.208 10 5 EGBERN CC[C@H](NC(=O)NCC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610643962 460203826 /nfs/dbraw/zinc/20/38/26/460203826.db2.gz KTIPVVMXODIXNL-INIZCTEOSA-N 0 0 349.431 3.288 10 5 EGBERN C[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000598215119 460207282 /nfs/dbraw/zinc/20/72/82/460207282.db2.gz KBJKIBXHLFJLBW-NSHDSACASA-N 0 0 349.131 3.132 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000594403412 460207484 /nfs/dbraw/zinc/20/74/84/460207484.db2.gz XTUQPDKWTYVLAQ-XYPYZODXSA-N 0 0 331.372 3.152 10 5 EGBERN CSc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598215354 460207492 /nfs/dbraw/zinc/20/74/92/460207492.db2.gz JMZLPLYUWKWXKO-CYBMUJFWSA-N 0 0 330.356 3.482 10 5 EGBERN Cc1cc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)oc2c(C)c1 ZINC000610661923 460208733 /nfs/dbraw/zinc/20/87/33/460208733.db2.gz SQOVYFMGHZMTNH-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000594411715 460211005 /nfs/dbraw/zinc/21/10/05/460211005.db2.gz VDKUVBPOCIGKMI-GDBMZVCRSA-N 0 0 331.372 3.154 10 5 EGBERN Cc1cccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000614723936 460211971 /nfs/dbraw/zinc/21/19/71/460211971.db2.gz VRONYPBBRONHQY-KRWDZBQOSA-N 0 0 327.384 3.319 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000598229055 460213731 /nfs/dbraw/zinc/21/37/31/460213731.db2.gz IQDDTMVQNLQYHB-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H](CCF)C1 ZINC000598228792 460213828 /nfs/dbraw/zinc/21/38/28/460213828.db2.gz PZTJDXWXABKNLE-GFCCVEGCSA-N 0 0 346.362 3.197 10 5 EGBERN Cc1ccc(CC2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000598236078 460218128 /nfs/dbraw/zinc/21/81/28/460218128.db2.gz ZXTSHHMYIZGTRC-UHFFFAOYSA-N 0 0 339.395 3.016 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000622197083 460221120 /nfs/dbraw/zinc/22/11/20/460221120.db2.gz XQUXQBQKKSZTOP-GFCCVEGCSA-N 0 0 342.345 3.456 10 5 EGBERN CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000610719719 460224886 /nfs/dbraw/zinc/22/48/86/460224886.db2.gz OJPGFHPDDWJDBR-INIZCTEOSA-N 0 0 334.416 3.239 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000611147781 460296819 /nfs/dbraw/zinc/29/68/19/460296819.db2.gz AVEODESAWMCSIW-SFYZZRBRSA-N 0 0 343.427 3.357 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(C)c1C(F)F ZINC000611159521 460298162 /nfs/dbraw/zinc/29/81/62/460298162.db2.gz VODFDSCYXFHNSI-UHFFFAOYSA-N 0 0 325.275 3.218 10 5 EGBERN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(F)F ZINC000611158644 460298598 /nfs/dbraw/zinc/29/85/98/460298598.db2.gz WIIRGFMHVDEUSS-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN COc1ccc([C@@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599675031 460305392 /nfs/dbraw/zinc/30/53/92/460305392.db2.gz HIVSSXMZSVUZRW-GFCCVEGCSA-N 0 0 335.335 3.028 10 5 EGBERN COC(=O)C1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599687345 460310883 /nfs/dbraw/zinc/31/08/83/460310883.db2.gz BHIAMHQSJBAFAF-GHMZBOCLSA-N 0 0 340.807 3.410 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC2(C1)CC(F)(F)C2 ZINC000611224883 460312021 /nfs/dbraw/zinc/31/20/21/460312021.db2.gz OHBBWGXXLRGNAQ-UHFFFAOYSA-N 0 0 333.294 3.014 10 5 EGBERN CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000603517546 460316430 /nfs/dbraw/zinc/31/64/30/460316430.db2.gz GCMXXSSBSGQYER-CYBMUJFWSA-N 0 0 328.324 3.205 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccco2)C1 ZINC000599788808 460334461 /nfs/dbraw/zinc/33/44/61/460334461.db2.gz GOUHWPGBELHCTL-UHFFFAOYSA-N 0 0 345.355 3.293 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000603810418 460342467 /nfs/dbraw/zinc/34/24/67/460342467.db2.gz VAKIVYXAQMRTAT-CYBMUJFWSA-N 0 0 339.273 3.332 10 5 EGBERN COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000611371663 460347397 /nfs/dbraw/zinc/34/73/97/460347397.db2.gz XMKDSFTUAOVPSM-BZNIZROVSA-N 0 0 332.331 3.299 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000619526977 460374931 /nfs/dbraw/zinc/37/49/31/460374931.db2.gz RYBCSGWRIAYPET-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611505641 460380758 /nfs/dbraw/zinc/38/07/58/460380758.db2.gz DPQWSOZXMFOWPL-PRHODGIISA-N 0 0 345.168 3.177 10 5 EGBERN Nc1cc(N2CCC[C@H]2c2cccc(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000611525590 460387687 /nfs/dbraw/zinc/38/76/87/460387687.db2.gz NAOPCQXIJWSNEW-INIZCTEOSA-N 0 0 331.347 3.150 10 5 EGBERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)no1 ZINC000611534234 460390954 /nfs/dbraw/zinc/39/09/54/460390954.db2.gz MSTYHXITTMSYGI-ZDUSSCGKSA-N 0 0 347.375 3.187 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000611616655 460414599 /nfs/dbraw/zinc/41/45/99/460414599.db2.gz DACUQOJLSMBRTG-ZDUSSCGKSA-N 0 0 343.387 3.251 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000600202258 460436343 /nfs/dbraw/zinc/43/63/43/460436343.db2.gz BYWAUVKMXBHNBP-ZLKJLUDKSA-N 0 0 334.784 3.378 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2OCCc3ccccc32)c1 ZINC000611752887 460449785 /nfs/dbraw/zinc/44/97/85/460449785.db2.gz BASLCUVLGMSYFA-KRWDZBQOSA-N 0 0 342.351 3.107 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271056 460462034 /nfs/dbraw/zinc/46/20/34/460462034.db2.gz GLCDCCRANIGDFN-NEPJUHHUSA-N 0 0 336.413 3.104 10 5 EGBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600366114 460483289 /nfs/dbraw/zinc/48/32/89/460483289.db2.gz HKZQOAYXUPTWTA-CJNGLKHVSA-N 0 0 347.396 3.016 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(OC)c1 ZINC000600364248 460483540 /nfs/dbraw/zinc/48/35/40/460483540.db2.gz DZNHFSXIIPURHV-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C1CCCCC1 ZINC000600414480 460492458 /nfs/dbraw/zinc/49/24/58/460492458.db2.gz MIDKNDHQFSLZAP-INIZCTEOSA-N 0 0 348.399 3.003 10 5 EGBERN CC1(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCC1 ZINC000600485527 460504477 /nfs/dbraw/zinc/50/44/77/460504477.db2.gz AODWVIHUVUTFJC-UHFFFAOYSA-N 0 0 341.367 3.022 10 5 EGBERN C[C@]1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600495533 460505947 /nfs/dbraw/zinc/50/59/47/460505947.db2.gz VITBGPURFJIFIW-UOIKSKOESA-N 0 0 330.384 3.110 10 5 EGBERN O=C1[C@H](SC[C@@H]2C[C@H]3C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000600579513 460532204 /nfs/dbraw/zinc/53/22/04/460532204.db2.gz OWXYIRAUXJNCEM-OQMKEHIESA-N 0 0 332.425 3.479 10 5 EGBERN O=[N+]([O-])c1ccsc1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000616400475 460547039 /nfs/dbraw/zinc/54/70/39/460547039.db2.gz JLOSGWUIPRPLLH-JTQLQIEISA-N 0 0 328.340 3.198 10 5 EGBERN CC(C)(C)c1csc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601150295 460733575 /nfs/dbraw/zinc/73/35/75/460733575.db2.gz UZMUPUKDYLKBAA-QGZVFWFLSA-N 0 0 349.456 3.346 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000601150867 460733920 /nfs/dbraw/zinc/73/39/20/460733920.db2.gz GVERSKCYVHZIGV-PRHODGIISA-N 0 0 337.273 3.024 10 5 EGBERN COc1ccccc1O[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601163455 460737216 /nfs/dbraw/zinc/73/72/16/460737216.db2.gz LJLXNSNDEYTKCR-ZDUSSCGKSA-N 0 0 347.346 3.185 10 5 EGBERN Cc1noc(C)c1[C@@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601173369 460740309 /nfs/dbraw/zinc/74/03/09/460740309.db2.gz ZBQDEQKABFTKNG-LLVKDONJSA-N 0 0 343.383 3.499 10 5 EGBERN Cc1cnc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(C)c1 ZINC000601187124 460743917 /nfs/dbraw/zinc/74/39/17/460743917.db2.gz OQMOZJWVEOFCLL-UHFFFAOYSA-N 0 0 343.309 3.014 10 5 EGBERN CC(C)c1c[nH]c(Sc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601201088 460748352 /nfs/dbraw/zinc/74/83/52/460748352.db2.gz KXDADXWBZNEAGH-UHFFFAOYSA-N 0 0 335.311 3.345 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000601221031 460755460 /nfs/dbraw/zinc/75/54/60/460755460.db2.gz GLHSCUUWRNRWGT-UHFFFAOYSA-N 0 0 331.376 3.092 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601246335 460764321 /nfs/dbraw/zinc/76/43/21/460764321.db2.gz QMZJOGCRATUMTI-CABCVRRESA-N 0 0 337.351 3.203 10 5 EGBERN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601282986 460776258 /nfs/dbraw/zinc/77/62/58/460776258.db2.gz KTIKRKLTUSUMBS-UHFFFAOYSA-N 0 0 340.426 3.176 10 5 EGBERN COCc1sccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000601289570 460778594 /nfs/dbraw/zinc/77/85/94/460778594.db2.gz PBRWOPSFPAOOCI-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN Cc1cc(S(=O)(=O)N2C[C@H](C)c3ccccc32)c([N+](=O)[O-])s1 ZINC000601308523 460783838 /nfs/dbraw/zinc/78/38/38/460783838.db2.gz UUEOYBRIWLHBNL-VIFPVBQESA-N 0 0 338.410 3.277 10 5 EGBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601408489 460806139 /nfs/dbraw/zinc/80/61/39/460806139.db2.gz CAFQDSGMFWEQQA-LLVKDONJSA-N 0 0 348.371 3.186 10 5 EGBERN CC(C)(C(=O)N1CC2(C1)CC(F)(F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000613023041 460806377 /nfs/dbraw/zinc/80/63/77/460806377.db2.gz RDCOEQHWOOTPNJ-UHFFFAOYSA-N 0 0 342.317 3.269 10 5 EGBERN COc1cnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601554561 460831075 /nfs/dbraw/zinc/83/10/75/460831075.db2.gz GGFRKEKQQRZIFX-UHFFFAOYSA-N 0 0 333.369 3.120 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]1C(F)F ZINC000601605425 460845896 /nfs/dbraw/zinc/84/58/96/460845896.db2.gz QQFRFWQFZODAOM-NSHDSACASA-N 0 0 339.323 3.198 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601639339 460853353 /nfs/dbraw/zinc/85/33/53/460853353.db2.gz IEPHXZKWBWTYQZ-GDBMZVCRSA-N 0 0 332.400 3.090 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601654617 460857752 /nfs/dbraw/zinc/85/77/52/460857752.db2.gz IKIXRWSQFUOEAO-HNNXBMFYSA-N 0 0 341.367 3.018 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601706592 460878783 /nfs/dbraw/zinc/87/87/83/460878783.db2.gz YAQQTODGXYBMRT-INIZCTEOSA-N 0 0 329.400 3.258 10 5 EGBERN Cc1ccc(C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601856045 460927311 /nfs/dbraw/zinc/92/73/11/460927311.db2.gz FXWRPMYYOISORJ-MRXNPFEDSA-N 0 0 332.400 3.372 10 5 EGBERN COC(=O)c1nn(C[C@@H]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601918373 460943447 /nfs/dbraw/zinc/94/34/47/460943447.db2.gz SJRJYPGDORAKJK-TZMCWYRMSA-N 0 0 329.356 3.162 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](O)C(F)(F)C1 ZINC000617814719 460984107 /nfs/dbraw/zinc/98/41/07/460984107.db2.gz JAVJUDPXDXFEGD-INIZCTEOSA-N 0 0 342.345 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173449953 534331299 /nfs/dbraw/zinc/33/12/99/534331299.db2.gz XRZMCONVYSYLCC-AWEZNQCLSA-N 0 0 344.371 3.387 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000187138263 534605971 /nfs/dbraw/zinc/60/59/71/534605971.db2.gz BTTCILLRAVQMPQ-OAHLLOKOSA-N 0 0 331.397 3.266 10 5 EGBERN CC(=O)c1ccc(NCC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000351864658 534868561 /nfs/dbraw/zinc/86/85/61/534868561.db2.gz YTZOGXWBIBRHCZ-AWEZNQCLSA-N 0 0 342.351 3.439 10 5 EGBERN CC(C)CC(=O)N1CCC(CSc2ncccc2[N+](=O)[O-])CC1 ZINC000184932163 527654819 /nfs/dbraw/zinc/65/48/19/527654819.db2.gz AVFYMVGEWYQALN-UHFFFAOYSA-N 0 0 337.445 3.367 10 5 EGBERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000171364034 528475945 /nfs/dbraw/zinc/47/59/45/528475945.db2.gz HQOGRBVOZDVECV-NSHDSACASA-N 0 0 335.795 3.390 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000049535527 535100532 /nfs/dbraw/zinc/10/05/32/535100532.db2.gz SMBVWKCDSRIRBG-UHFFFAOYSA-N 0 0 328.368 3.411 10 5 EGBERN CC[C@@H](Nc1ccc(C(=O)OC)c(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000186140135 535809741 /nfs/dbraw/zinc/80/97/41/535809741.db2.gz OPZOBKSRCRRVAA-CQSZACIVSA-N 0 0 345.355 3.348 10 5 EGBERN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC1 ZINC000726225667 574546381 /nfs/dbraw/zinc/54/63/81/574546381.db2.gz NSQFNTNUYBNVIX-UHFFFAOYSA-N 0 0 333.262 3.249 10 5 EGBERN C[C@@H](OC(=O)COc1ccccc1C=O)c1cccc([N+](=O)[O-])c1 ZINC000728909088 574785900 /nfs/dbraw/zinc/78/59/00/574785900.db2.gz JRKIBVWFIAZARV-GFCCVEGCSA-N 0 0 329.308 3.091 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000728992089 574792149 /nfs/dbraw/zinc/79/21/49/574792149.db2.gz OSOVXOUQVLILNJ-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000729657552 574876674 /nfs/dbraw/zinc/87/66/74/574876674.db2.gz KPUMXPAIHQFWCV-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1ccc([N+](=O)[O-])cc1Cl ZINC000729862512 574893153 /nfs/dbraw/zinc/89/31/53/574893153.db2.gz GSOGKXOAGNMYBF-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCOc1ccc(F)cc1 ZINC000730014879 574903541 /nfs/dbraw/zinc/90/35/41/574903541.db2.gz LFPZNSPDVJANGH-UHFFFAOYSA-N 0 0 334.303 3.063 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000731029384 575043950 /nfs/dbraw/zinc/04/39/50/575043950.db2.gz ZTFDQWVLCSVGHV-VFFGBVLKSA-N 0 0 327.340 3.349 10 5 EGBERN CC(C)c1csc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000731615305 575192725 /nfs/dbraw/zinc/19/27/25/575192725.db2.gz NWAZXJWMTOHQRD-UHFFFAOYSA-N 0 0 349.368 3.005 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000733190379 575318961 /nfs/dbraw/zinc/31/89/61/575318961.db2.gz VFBOAAGMKQNXPG-ZDUSSCGKSA-N 0 0 348.428 3.042 10 5 EGBERN Cc1ccc(OS(=O)(=O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000755287860 575334916 /nfs/dbraw/zinc/33/49/16/575334916.db2.gz LKYGOXPEVIRKGW-UHFFFAOYSA-N 0 0 325.317 3.118 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000735487027 575668527 /nfs/dbraw/zinc/66/85/27/575668527.db2.gz PHQDPJZVCSHDNK-CYBMUJFWSA-N 0 0 336.392 3.191 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCC1CC1 ZINC000736299710 575930159 /nfs/dbraw/zinc/93/01/59/575930159.db2.gz TWODDZUCCKCFJC-UHFFFAOYSA-N 0 0 334.344 3.193 10 5 EGBERN Cc1nc([C@H]2CCCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)no1 ZINC000737613953 576254797 /nfs/dbraw/zinc/25/47/97/576254797.db2.gz CUOKXQHPBMMTMG-YYRKOSNBSA-N 0 0 342.355 3.053 10 5 EGBERN Cc1ncc(Cl)c(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000741933692 576735120 /nfs/dbraw/zinc/73/51/20/576735120.db2.gz RIAKICJYACAEOT-UHFFFAOYSA-N 0 0 342.138 3.357 10 5 EGBERN CCn1nc(C)c(Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])c1C ZINC000742419133 576782243 /nfs/dbraw/zinc/78/22/43/576782243.db2.gz SXBDLOZGHMAUML-CLFYSBASSA-N 0 0 344.371 3.358 10 5 EGBERN COc1cc(N2CCC(OC(=O)/C=C/C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000744173335 576822340 /nfs/dbraw/zinc/82/23/40/576822340.db2.gz CVFLWZCFFFXXFK-QPJJXVBHSA-N 0 0 346.383 3.082 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OCc3ccon3)cc2[N+](=O)[O-])C1 ZINC000744618359 576831923 /nfs/dbraw/zinc/83/19/23/576831923.db2.gz VDMGNNJFMIROEQ-GFCCVEGCSA-N 0 0 345.355 3.176 10 5 EGBERN C[C@@H](NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000096893676 1292954791 /nfs/dbraw/zinc/95/47/91/1292954791.db2.gz ISZSIIFJVKEADP-QDZRJHCZSA-N 0 0 340.335 3.214 10 5 EGBERN O=C(NCCCC1CC1)c1cc([N+](=O)[O-])ccc1Br ZINC000127909241 1293576946 /nfs/dbraw/zinc/57/69/46/1293576946.db2.gz PFNRBSHSKSPOGZ-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN Cn1c(=O)oc2cc(NCc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000127915108 1293577329 /nfs/dbraw/zinc/57/73/29/1293577329.db2.gz UZXQYPXEWUXVFQ-UHFFFAOYSA-N 0 0 333.731 3.305 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])OCCc1ccc(F)c(F)c1 ZINC000129769424 1293633937 /nfs/dbraw/zinc/63/39/37/1293633937.db2.gz AIASBZULJXWWLZ-UHFFFAOYSA-N 0 0 337.278 3.038 10 5 EGBERN CCC[C@@H](Oc1cccc([N+](=O)[O-])c1Br)C(=O)OCC ZINC000135104626 1293787730 /nfs/dbraw/zinc/78/77/30/1293787730.db2.gz ZPLVQSJMWPEYLD-LLVKDONJSA-N 0 0 346.177 3.468 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000153148973 1294000431 /nfs/dbraw/zinc/00/04/31/1294000431.db2.gz UQMYBFNADIDNBA-MRXNPFEDSA-N 0 0 329.308 3.284 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000869929720 1295543050 /nfs/dbraw/zinc/54/30/50/1295543050.db2.gz GDUAEVQHAJXSHK-MFOWVQHXSA-N 0 0 339.775 3.497 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000870054408 1295619459 /nfs/dbraw/zinc/61/94/59/1295619459.db2.gz QLKBCHNGGIXPOS-XQQFMLRXSA-N 0 0 335.356 3.178 10 5 EGBERN C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC000870496254 1295905008 /nfs/dbraw/zinc/90/50/08/1295905008.db2.gz NKOXTGCGIZMYLV-LLVKDONJSA-N 0 0 333.319 3.235 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000870718560 1296041591 /nfs/dbraw/zinc/04/15/91/1296041591.db2.gz PJORCLZJQIWXIZ-NOZJJQNGSA-N 0 0 346.305 3.253 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000870730508 1296049119 /nfs/dbraw/zinc/04/91/19/1296049119.db2.gz UZGIXSRZHQSIJZ-WDEREUQCSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cc(C)c(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000870827457 1296105166 /nfs/dbraw/zinc/10/51/66/1296105166.db2.gz BFGICKZDOPLJPV-UHFFFAOYSA-N 0 0 343.383 3.206 10 5 EGBERN C[C@@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000870829400 1296105883 /nfs/dbraw/zinc/10/58/83/1296105883.db2.gz KQRQNYFIQROXMH-WJFWJRBTSA-N 0 0 347.346 3.371 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCc2sccc21 ZINC000870829262 1296106309 /nfs/dbraw/zinc/10/63/09/1296106309.db2.gz JQCLYWDGEQDMOH-MMWSSPAHSA-N 0 0 347.396 3.220 10 5 EGBERN Cc1ccc(C[C@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870828374 1296106512 /nfs/dbraw/zinc/10/65/12/1296106512.db2.gz PSGJZLSLXRBSDN-KTAKPFMOSA-N 0 0 343.383 3.225 10 5 EGBERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000222051631 1296128378 /nfs/dbraw/zinc/12/83/78/1296128378.db2.gz LKDSJAOXZLSQIX-KTKRTIGZSA-N 0 0 348.399 3.187 10 5 EGBERN CCn1ccnc1/C=C\C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222250027 1296129638 /nfs/dbraw/zinc/12/96/38/1296129638.db2.gz YTIZGGFWTFKZGX-WSROAFLRSA-N 0 0 329.356 3.437 10 5 EGBERN O=C(NCC1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000871045529 1296195270 /nfs/dbraw/zinc/19/52/70/1296195270.db2.gz PKGOZGNEYUYYHS-OAHLLOKOSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871123187 1296234483 /nfs/dbraw/zinc/23/44/83/1296234483.db2.gz NNFUMRAOMSQXPN-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN C[C@H](C(=O)NC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000871168861 1296257060 /nfs/dbraw/zinc/25/70/60/1296257060.db2.gz IULZUNVMPSOBGL-XHDPSFHLSA-N 0 0 338.379 3.301 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000871213767 1296277523 /nfs/dbraw/zinc/27/75/23/1296277523.db2.gz WXRSLKYWESLMOH-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871335221 1296358834 /nfs/dbraw/zinc/35/88/34/1296358834.db2.gz GIGAKISTHWJFHU-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871337960 1296360066 /nfs/dbraw/zinc/36/00/66/1296360066.db2.gz WQSXXRHUVMZEDH-OAHLLOKOSA-N 0 0 347.415 3.200 10 5 EGBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000871476093 1296408912 /nfs/dbraw/zinc/40/89/12/1296408912.db2.gz BGZZMJBPNCPMCZ-CJNGLKHVSA-N 0 0 348.399 3.103 10 5 EGBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000871476095 1296409124 /nfs/dbraw/zinc/40/91/24/1296409124.db2.gz BGZZMJBPNCPMCZ-XJKSGUPXSA-N 0 0 348.399 3.103 10 5 EGBERN CC(C)Oc1cc(C(=O)NC2CC3(CSC3)C2)ccc1[N+](=O)[O-] ZINC000871504747 1296418541 /nfs/dbraw/zinc/41/85/41/1296418541.db2.gz FLODXAVOMFYULJ-UHFFFAOYSA-N 0 0 336.413 3.007 10 5 EGBERN CC1(C)CCC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1=O ZINC000871694422 1296485233 /nfs/dbraw/zinc/48/52/33/1296485233.db2.gz LKKIXRZFFISIPN-QMMMGPOBSA-N 0 0 343.177 3.279 10 5 EGBERN CC(C)OC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000871748601 1296515742 /nfs/dbraw/zinc/51/57/42/1296515742.db2.gz DFMPKGNUNISLCU-UHFFFAOYSA-N 0 0 325.340 3.203 10 5 EGBERN CCOC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000871921472 1296611993 /nfs/dbraw/zinc/61/19/93/1296611993.db2.gz OBLQXLFBOVGEQD-KRWDZBQOSA-N 0 0 328.368 3.297 10 5 EGBERN C[C@H](NCc1n[nH]cc1Br)c1c(F)cccc1[N+](=O)[O-] ZINC000872037575 1296687198 /nfs/dbraw/zinc/68/71/98/1296687198.db2.gz GHDAGCFLPUFJGX-ZETCQYMHSA-N 0 0 343.156 3.070 10 5 EGBERN CNC(=O)C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069687 1296716895 /nfs/dbraw/zinc/71/68/95/1296716895.db2.gz SEYAMWZTWJULAJ-SWLSCSKDSA-N 0 0 345.374 3.262 10 5 EGBERN COc1ccc(C(=O)O[C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000873571699 1297594987 /nfs/dbraw/zinc/59/49/87/1297594987.db2.gz GBZVIBRZIBVEIW-WFASDCNBSA-N 0 0 337.372 3.354 10 5 EGBERN COc1c(C(=O)O[C@@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873577481 1297603814 /nfs/dbraw/zinc/60/38/14/1297603814.db2.gz WOWGEHFYSRBYQA-GFCCVEGCSA-N 0 0 335.356 3.252 10 5 EGBERN O=C(N[C@@H]1CC12CCCCC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879373454 1300504556 /nfs/dbraw/zinc/50/45/56/1300504556.db2.gz UKKFJZOLYIZNLF-MRXNPFEDSA-N 0 0 346.383 3.209 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC(CC2CCOCC2)C1 ZINC000881928970 1301762222 /nfs/dbraw/zinc/76/22/22/1301762222.db2.gz UEJLPUHDUMYXPC-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000882350983 1301930974 /nfs/dbraw/zinc/93/09/74/1301930974.db2.gz MIENYAPGNMFHFO-AWEZNQCLSA-N 0 0 346.305 3.081 10 5 EGBERN CCc1ccc(C(=O)N2CCC3(CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000882435389 1301964409 /nfs/dbraw/zinc/96/44/09/1301964409.db2.gz BYDQKYJAGCWILB-UHFFFAOYSA-N 0 0 332.400 3.333 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000884656450 1302940225 /nfs/dbraw/zinc/94/02/25/1302940225.db2.gz HXFFJVLPDCVJJK-GWCFXTLKSA-N 0 0 332.326 3.288 10 5 EGBERN CC(=O)[C@H]1CC[C@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000887255346 1303721454 /nfs/dbraw/zinc/72/14/54/1303721454.db2.gz KUAHEGDZKHLVFK-VTECNZMCSA-N 0 0 330.384 3.262 10 5 EGBERN C/C(=C\C(=O)N1CCC(=O)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000891827142 1305180211 /nfs/dbraw/zinc/18/02/11/1305180211.db2.gz IMONZRMJWKADJS-ACCUITESSA-N 0 0 328.368 3.112 10 5 EGBERN C[C@@]1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1(F)F ZINC000892940968 1305617061 /nfs/dbraw/zinc/61/70/61/1305617061.db2.gz PLKIYCRJUAQNJJ-HNNXBMFYSA-N 0 0 335.310 3.105 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(C)CC(F)(F)C1 ZINC000893356908 1305847789 /nfs/dbraw/zinc/84/77/89/1305847789.db2.gz FYBDMRMYTMSFOK-UHFFFAOYSA-N 0 0 328.315 3.159 10 5 EGBERN CC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCCOC1 ZINC000893852331 1306097361 /nfs/dbraw/zinc/09/73/61/1306097361.db2.gz UPUXKGIBAQKVIP-PBHICJAKSA-N 0 0 346.427 3.338 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893852752 1306098126 /nfs/dbraw/zinc/09/81/26/1306098126.db2.gz CFEMAFPIEQBHDS-DZGCQCFKSA-N 0 0 334.416 3.194 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000893861161 1306102075 /nfs/dbraw/zinc/10/20/75/1306102075.db2.gz FYZJAMKZGQNWPT-CZUORRHYSA-N 0 0 334.416 3.194 10 5 EGBERN C/C(=C/C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000893924702 1306133084 /nfs/dbraw/zinc/13/30/84/1306133084.db2.gz MQWPGPROWKDQAW-BSKSSJJLSA-N 0 0 330.384 3.216 10 5 EGBERN CC(C)c1c[nH]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000894052904 1306192087 /nfs/dbraw/zinc/19/20/87/1306192087.db2.gz DNFYIHTYRLCAKB-UHFFFAOYSA-N 0 0 344.415 3.485 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000895206855 1309239184 /nfs/dbraw/zinc/23/91/84/1309239184.db2.gz GGCPHGRNSPGFJA-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000895212865 1309241793 /nfs/dbraw/zinc/24/17/93/1309241793.db2.gz QFJXPUZCLWZTKS-UHFFFAOYSA-N 0 0 326.299 3.425 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895842873 1309550197 /nfs/dbraw/zinc/55/01/97/1309550197.db2.gz GGTHPKDNSCMSPU-BXUZGUMPSA-N 0 0 342.342 3.197 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(C(F)(F)F)nn1C ZINC000896062655 1309680681 /nfs/dbraw/zinc/68/06/81/1309680681.db2.gz KUFVDYNXSQTOSG-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CC(=O)c1cc(NCC[C@H](N(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000896112463 1309704152 /nfs/dbraw/zinc/70/41/52/1309704152.db2.gz VBKDYLLTJTVUHO-ZDUSSCGKSA-N 0 0 333.310 3.092 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccsc3)C2)c1C ZINC000896965980 1310110816 /nfs/dbraw/zinc/11/08/16/1310110816.db2.gz KPHABAGEMCWSLA-HNNXBMFYSA-N 0 0 346.408 3.487 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000897012749 1310134631 /nfs/dbraw/zinc/13/46/31/1310134631.db2.gz IHXFNHUKZJSFMX-BHPKHCPMSA-N 0 0 341.367 3.143 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(C(F)(F)F)n(C)n1 ZINC000897237949 1310237244 /nfs/dbraw/zinc/23/72/44/1310237244.db2.gz HFYPASYSTDASGV-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000857578641 1328552596 /nfs/dbraw/zinc/55/25/96/1328552596.db2.gz OJPKADVAJMQFBE-AWEZNQCLSA-N 0 0 335.356 3.177 10 5 EGBERN Cc1c(OC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000857580039 1328553148 /nfs/dbraw/zinc/55/31/48/1328553148.db2.gz MTFBHSJLOQSBEA-HUUCEWRRSA-N 0 0 327.336 3.239 10 5 EGBERN Cc1c(OC(=O)[C@H]2COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000857580037 1328553167 /nfs/dbraw/zinc/55/31/67/1328553167.db2.gz MTFBHSJLOQSBEA-CABCVRRESA-N 0 0 327.336 3.239 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857669848 1328580428 /nfs/dbraw/zinc/58/04/28/1328580428.db2.gz SWSJFRCMWDCCQM-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC1(Cl)Cl ZINC000857687166 1328584007 /nfs/dbraw/zinc/58/40/07/1328584007.db2.gz JLEZCTFAZMOFFO-SNVBAGLBSA-N 0 0 347.198 3.064 10 5 EGBERN COc1cc(NC[C@H]2CCc3cccnc32)c([N+](=O)[O-])cc1OC ZINC000857902313 1328620033 /nfs/dbraw/zinc/62/00/33/1328620033.db2.gz RUGNGOOJSRCNQQ-GFCCVEGCSA-N 0 0 329.356 3.149 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000857968145 1328643509 /nfs/dbraw/zinc/64/35/09/1328643509.db2.gz GVDGBFLVAGIGKJ-LBPRGKRZSA-N 0 0 345.786 3.411 10 5 EGBERN Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ncc1[N+](=O)[O-] ZINC000858008993 1328655255 /nfs/dbraw/zinc/65/52/55/1328655255.db2.gz ITJNAFCNHWWGLM-HNNXBMFYSA-N 0 0 340.383 3.228 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)nc1 ZINC000858007777 1328655534 /nfs/dbraw/zinc/65/55/34/1328655534.db2.gz DAIMLISYUOIQAB-INIZCTEOSA-N 0 0 340.383 3.310 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000899537723 1317078309 /nfs/dbraw/zinc/07/83/09/1317078309.db2.gz UQSGHIYOWYBDDW-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H](C(F)F)C1 ZINC000930125625 1328791350 /nfs/dbraw/zinc/79/13/50/1328791350.db2.gz IYXKEYNAKGEBIO-MRVPVSSYSA-N 0 0 335.148 3.444 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@]12C[C@H]1COC21CCC1 ZINC000930160275 1328801224 /nfs/dbraw/zinc/80/12/24/1328801224.db2.gz NJXCEUKDVNAQCG-BJOHPYRUSA-N 0 0 337.763 3.081 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccns1 ZINC000858576268 1328797964 /nfs/dbraw/zinc/79/79/64/1328797964.db2.gz ATPDNBBONGTDDI-MNOVXSKESA-N 0 0 334.401 3.119 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC000913384686 1319020532 /nfs/dbraw/zinc/02/05/32/1319020532.db2.gz BTHAWBJPCMYZSD-UHFFFAOYSA-N 0 0 338.722 3.399 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913586749 1319063785 /nfs/dbraw/zinc/06/37/85/1319063785.db2.gz BJVYAUDRPZLUTR-VIFPVBQESA-N 0 0 334.763 3.039 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cnn2c1CCCC2 ZINC000913666566 1319091914 /nfs/dbraw/zinc/09/19/14/1319091914.db2.gz CWSOBXGBNCNZGN-UHFFFAOYSA-N 0 0 348.790 3.352 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])c1 ZINC000858658463 1328820558 /nfs/dbraw/zinc/82/05/58/1328820558.db2.gz OKLRMMMKUVPEKP-AWEZNQCLSA-N 0 0 329.312 3.056 10 5 EGBERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000915129792 1319429867 /nfs/dbraw/zinc/42/98/67/1319429867.db2.gz OMKQOPPMNZPFCZ-BDJLRTHQSA-N 0 0 340.335 3.409 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000858690624 1328832683 /nfs/dbraw/zinc/83/26/83/1328832683.db2.gz ATUNXCHXOXWQKH-SECBINFHSA-N 0 0 341.161 3.031 10 5 EGBERN C[C@H](OC(=O)CCOc1ccc(C=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000915575502 1319503612 /nfs/dbraw/zinc/50/36/12/1319503612.db2.gz JOKDEHJMGMURKY-ZDUSSCGKSA-N 0 0 343.335 3.481 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)c(F)cc21 ZINC000915604146 1319505294 /nfs/dbraw/zinc/50/52/94/1319505294.db2.gz BZDSFYWAWGIDDH-ZZXKWVIFSA-N 0 0 330.290 3.476 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SC[C@@H]3CCC4(COC4)O3)sc2c1 ZINC000915674960 1319516990 /nfs/dbraw/zinc/51/69/90/1319516990.db2.gz SVHWRULODFPBDN-JTQLQIEISA-N 0 0 338.410 3.245 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000858733665 1328845045 /nfs/dbraw/zinc/84/50/45/1328845045.db2.gz JPZBLNANRVXDOF-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000858735439 1328846695 /nfs/dbraw/zinc/84/66/95/1328846695.db2.gz VPVWXESIRWAADP-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN Nc1cc(N[C@@H]2CCc3ccc(Cl)cc32)cc(CO)c1[N+](=O)[O-] ZINC000858836352 1328871785 /nfs/dbraw/zinc/87/17/85/1328871785.db2.gz ZMOKGMLJKGSAOF-OAHLLOKOSA-N 0 0 333.775 3.422 10 5 EGBERN Nc1cc(N[C@H]2CCc3ccc(Cl)cc32)cc(CO)c1[N+](=O)[O-] ZINC000858836350 1328872311 /nfs/dbraw/zinc/87/23/11/1328872311.db2.gz ZMOKGMLJKGSAOF-HNNXBMFYSA-N 0 0 333.775 3.422 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000930861184 1328990026 /nfs/dbraw/zinc/99/00/26/1328990026.db2.gz ADZNZBPVVWAYKD-XJKSGUPXSA-N 0 0 333.388 3.291 10 5 EGBERN CO[C@H](COc1cc(Cl)c([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000920243530 1322153956 /nfs/dbraw/zinc/15/39/56/1322153956.db2.gz IABADHSJBTXDET-ISVAXAHUSA-N 0 0 336.171 3.332 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CC[C@H]3CCCCO3)n2)c1 ZINC000920410829 1322174617 /nfs/dbraw/zinc/17/46/17/1322174617.db2.gz FKDUHYYUKDAEGM-CYBMUJFWSA-N 0 0 336.779 3.466 10 5 EGBERN COC[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000921356953 1322300633 /nfs/dbraw/zinc/30/06/33/1322300633.db2.gz HLILXHSSVVEKPU-OTSSQURYSA-N 0 0 333.171 3.056 10 5 EGBERN C[C@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCO1 ZINC000921420165 1322311777 /nfs/dbraw/zinc/31/17/77/1322311777.db2.gz VVNGISUJCHGRBM-OAHLLOKOSA-N 0 0 341.795 3.007 10 5 EGBERN Cc1c(CNC(=O)N2CCC[C@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000922167568 1322470038 /nfs/dbraw/zinc/47/00/38/1322470038.db2.gz FBSNIRSRWXZLOK-HNNXBMFYSA-N 0 0 349.431 3.392 10 5 EGBERN CC(=O)NCCCCCOC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000922795325 1322619513 /nfs/dbraw/zinc/61/95/13/1322619513.db2.gz WIHPKFWHAISPDH-UHFFFAOYSA-N 0 0 342.779 3.020 10 5 EGBERN CCO[C@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000859631295 1329040061 /nfs/dbraw/zinc/04/00/61/1329040061.db2.gz PSHBGWBAGMJXQD-CYBMUJFWSA-N 0 0 345.298 3.168 10 5 EGBERN C[C@@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000923289268 1322726657 /nfs/dbraw/zinc/72/66/57/1322726657.db2.gz OLCMOHCMJVJDLW-QMTHXVAHSA-N 0 0 327.331 3.390 10 5 EGBERN C[C@@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923330814 1322735208 /nfs/dbraw/zinc/73/52/08/1322735208.db2.gz CSQHQWQJDZMVCK-LLVKDONJSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC000923593679 1322779321 /nfs/dbraw/zinc/77/93/21/1322779321.db2.gz BDSNITTZOMKECY-SNVBAGLBSA-N 0 0 335.747 3.275 10 5 EGBERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCc1ccccc1[N+](=O)[O-] ZINC000923721770 1322796966 /nfs/dbraw/zinc/79/69/66/1322796966.db2.gz MPYGWFMHIREGKM-ZYHUDNBSSA-N 0 0 333.262 3.138 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000923761843 1322804427 /nfs/dbraw/zinc/80/44/27/1322804427.db2.gz UJRSUSWRRUFQJB-DZGCQCFKSA-N 0 0 329.356 3.069 10 5 EGBERN COc1cc(COC(=O)c2ccnn2C2CCC2)c([N+](=O)[O-])cc1F ZINC000923875641 1322832138 /nfs/dbraw/zinc/83/21/38/1322832138.db2.gz IXHXLRWWBQSXRV-UHFFFAOYSA-N 0 0 349.318 3.021 10 5 EGBERN C[C@@H]1C[C@H](COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000923962602 1322856505 /nfs/dbraw/zinc/85/65/05/1322856505.db2.gz PPPOTQSSOFFBBM-VXGBXAGGSA-N 0 0 325.336 3.025 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCCn1ccnc1 ZINC000923967654 1322859612 /nfs/dbraw/zinc/85/96/12/1322859612.db2.gz POYUKOAFPOLPPH-UHFFFAOYSA-N 0 0 337.763 3.011 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000924020093 1322875023 /nfs/dbraw/zinc/87/50/23/1322875023.db2.gz SDKRZCYMUUVGFG-XNRPHZJLSA-N 0 0 335.404 3.160 10 5 EGBERN CC(C)(CCc1noc(Cc2cccc(C(F)(F)F)n2)n1)[N+](=O)[O-] ZINC000924079588 1322892504 /nfs/dbraw/zinc/89/25/04/1322892504.db2.gz YKULQVIMRCIHSK-UHFFFAOYSA-N 0 0 344.293 3.062 10 5 EGBERN COCCC1(c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCC1 ZINC000924098364 1322900273 /nfs/dbraw/zinc/90/02/73/1322900273.db2.gz OFTSMBIRDLCUDN-UHFFFAOYSA-N 0 0 349.362 3.360 10 5 EGBERN O=C(C[C@H]1CC=CCC1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000924241238 1322949278 /nfs/dbraw/zinc/94/92/78/1322949278.db2.gz ZBHHVZGORNEUNN-LBPRGKRZSA-N 0 0 333.340 3.251 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000931276251 1329083809 /nfs/dbraw/zinc/08/38/09/1329083809.db2.gz TXNSTASUNCZLJT-NTMALXAHSA-N 0 0 342.351 3.402 10 5 EGBERN C[C@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000859927801 1329112435 /nfs/dbraw/zinc/11/24/35/1329112435.db2.gz UCFIFEYZGMRBCZ-VIFPVBQESA-N 0 0 325.271 3.033 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925247242 1325096593 /nfs/dbraw/zinc/09/65/93/1325096593.db2.gz NGTWJEFWPVRQDB-RIEGTJTDSA-N 0 0 339.342 3.343 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925250741 1325096929 /nfs/dbraw/zinc/09/69/29/1325096929.db2.gz UWBKMAFIFUSGCC-UONOGXRCSA-N 0 0 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ZINC000927294703 1327960591 /nfs/dbraw/zinc/96/05/91/1327960591.db2.gz PCLKHAPULXEKIU-JTQLQIEISA-N 0 0 338.282 3.163 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)n1 ZINC000928209806 1328236851 /nfs/dbraw/zinc/23/68/51/1328236851.db2.gz SGCQZYPJIAZMFJ-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928243020 1328252438 /nfs/dbraw/zinc/25/24/38/1328252438.db2.gz GEYCDIAMASFFSS-ZDUSSCGKSA-N 0 0 345.399 3.496 10 5 EGBERN Cc1cc(CO)cc(C)c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000928469896 1328330299 /nfs/dbraw/zinc/33/02/99/1328330299.db2.gz CIZICJCZPVZDHP-AWEZNQCLSA-N 0 0 342.395 3.124 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000928589166 1328366270 /nfs/dbraw/zinc/36/62/70/1328366270.db2.gz LYJHCTWREBUFNN-SNVBAGLBSA-N 0 0 328.796 3.111 10 5 EGBERN COC/C(C)=C/C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445909 1329418946 /nfs/dbraw/zinc/41/89/46/1329418946.db2.gz PSDBORRTTBHOBP-BUUCAEBMSA-N 0 0 333.262 3.334 10 5 EGBERN CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000928914472 1328472589 /nfs/dbraw/zinc/47/25/89/1328472589.db2.gz OKVJHRJIAOLSEE-UHFFFAOYSA-N 0 0 348.403 3.289 10 5 EGBERN CC(C)C[C@H]1C(=O)N(C[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000929003084 1328487215 /nfs/dbraw/zinc/48/72/15/1328487215.db2.gz QVXYSVMFXSWHHP-WFASDCNBSA-N 0 0 333.388 3.007 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2ccn(C)n2)C1 ZINC000929118682 1328510158 /nfs/dbraw/zinc/51/01/58/1328510158.db2.gz SBBDWBXRSOPXGD-CYBMUJFWSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000929119164 1328510166 /nfs/dbraw/zinc/51/01/66/1328510166.db2.gz APGCFROYQCJXSC-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862094825 1329458508 /nfs/dbraw/zinc/45/85/08/1329458508.db2.gz QAWLODNNCUUPJV-HNNXBMFYSA-N 0 0 341.367 3.314 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862177978 1329464308 /nfs/dbraw/zinc/46/43/08/1329464308.db2.gz ZIUCSYLOCMTWDR-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862728003 1329505574 /nfs/dbraw/zinc/50/55/74/1329505574.db2.gz QMOMIOVNWSGEPS-ZJUUUORDSA-N 0 0 326.805 3.358 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000862772538 1329507832 /nfs/dbraw/zinc/50/78/32/1329507832.db2.gz HILNWDCJDLIGFP-RAXLEYEMSA-N 0 0 330.384 3.216 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862999552 1329521854 /nfs/dbraw/zinc/52/18/54/1329521854.db2.gz MHBASOCPQIMZTH-DRAKQNMHSA-N 0 0 328.368 3.290 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863253195 1329539616 /nfs/dbraw/zinc/53/96/16/1329539616.db2.gz LAJXSXXCPYIVGQ-JCGIZDLHSA-N 0 0 337.379 3.174 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@H](C)c2ccns2)ccc1[N+](=O)[O-] ZINC000863614256 1329567695 /nfs/dbraw/zinc/56/76/95/1329567695.db2.gz AIVXYGPIAXTNPV-SNVBAGLBSA-N 0 0 335.385 3.330 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863845598 1329585199 /nfs/dbraw/zinc/58/51/99/1329585199.db2.gz UMVJEJPJWWKETK-UHFFFAOYSA-N 0 0 347.076 3.468 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CC2(CO1)CCOCC2 ZINC000865352632 1329688191 /nfs/dbraw/zinc/68/81/91/1329688191.db2.gz PYYAYARDTZQGDO-GFCCVEGCSA-N 0 0 327.764 3.213 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1CCC(C)(C)CO1 ZINC000865353383 1329688459 /nfs/dbraw/zinc/68/84/59/1329688459.db2.gz ZDIGNBYOUHDXNH-VIFPVBQESA-N 0 0 332.198 3.067 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c1C ZINC000865561810 1329713864 /nfs/dbraw/zinc/71/38/64/1329713864.db2.gz QGESSUHEGUQMSZ-UHFFFAOYSA-N 0 0 345.374 3.234 10 5 EGBERN Cc1cc(Nc2cc(F)c([N+](=O)[O-])cc2CO)nn1[C@@H](C)C1CC1 ZINC000865671319 1329727654 /nfs/dbraw/zinc/72/76/54/1329727654.db2.gz YHAXJWMWSXPZPV-JTQLQIEISA-N 0 0 334.351 3.446 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000866051642 1330059684 /nfs/dbraw/zinc/05/96/84/1330059684.db2.gz GWPSEWLDTYHMMZ-IEBWSBKVSA-N 0 0 340.379 3.500 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000866051643 1330059689 /nfs/dbraw/zinc/05/96/89/1330059689.db2.gz GWPSEWLDTYHMMZ-MJGOQNOKSA-N 0 0 340.379 3.500 10 5 EGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000866057679 1330060780 /nfs/dbraw/zinc/06/07/80/1330060780.db2.gz MECWZNKDWBJUCH-RBZYPMLTSA-N 0 0 344.458 3.441 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000866069499 1330061820 /nfs/dbraw/zinc/06/18/20/1330061820.db2.gz FEIUSNJPTMYKRI-PSASIEDQSA-N 0 0 344.209 3.064 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccc4cccnc4n3)C2)n1 ZINC000866130659 1330068465 /nfs/dbraw/zinc/06/84/65/1330068465.db2.gz WXLIMGYUYXPOQY-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN COc1cc(N[C@H](C2CCC2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000866142145 1330069961 /nfs/dbraw/zinc/06/99/61/1330069961.db2.gz REDMRENNYJRJRC-YVEFUNNKSA-N 0 0 336.388 3.229 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CCC3)[C@H]3CCOC3)c2c1 ZINC000866143735 1330070074 /nfs/dbraw/zinc/07/00/74/1330070074.db2.gz MNCJENUZXQGRCL-LRDDRELGSA-N 0 0 328.372 3.155 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CCC3)[C@H]3CCOC3)cc2N1 ZINC000866144175 1330070203 /nfs/dbraw/zinc/07/02/03/1330070203.db2.gz XWPUCHXTHOPWCF-UGSOOPFHSA-N 0 0 345.399 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](OC3CCC3)CC2)c2nonc21 ZINC000866147633 1330070657 /nfs/dbraw/zinc/07/06/57/1330070657.db2.gz JPOCNOAFCXXMHC-GFCCVEGCSA-N 0 0 332.360 3.059 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC=CC[C@H]3C(F)(F)F)nn21 ZINC000866178423 1330073969 /nfs/dbraw/zinc/07/39/69/1330073969.db2.gz SZSNVLPXFBWDGN-VHSXEESVSA-N 0 0 341.293 3.194 10 5 EGBERN COc1cc(N2CCC(C(C)(C)O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866229788 1330080945 /nfs/dbraw/zinc/08/09/45/1330080945.db2.gz ULOURYUUQOGSFZ-UHFFFAOYSA-N 0 0 328.796 3.244 10 5 EGBERN C[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866337584 1330098446 /nfs/dbraw/zinc/09/84/46/1330098446.db2.gz KTJGTMVBPZIIEC-VHSXEESVSA-N 0 0 341.205 3.157 10 5 EGBERN CCOC1CC2(C[C@@H]2c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000866839443 1330151211 /nfs/dbraw/zinc/15/12/11/1330151211.db2.gz WQIOIKMAYANLEU-UIORMTCPSA-N 0 0 329.356 3.241 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000866963746 1330161058 /nfs/dbraw/zinc/16/10/58/1330161058.db2.gz XTJFRYOTCBGWCE-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868501498 1330287129 /nfs/dbraw/zinc/28/71/29/1330287129.db2.gz KXDDRSKYLBMCKS-NSHDSACASA-N 0 0 333.310 3.433 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000868669497 1330311542 /nfs/dbraw/zinc/31/15/42/1330311542.db2.gz XZBSSEWJJCBPQK-ZDUSSCGKSA-N 0 0 346.214 3.286 10 5 EGBERN Cc1cnc(F)c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000868709155 1330321356 /nfs/dbraw/zinc/32/13/56/1330321356.db2.gz BWSQUUMSEREIJJ-CQSZACIVSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000869054165 1330403998 /nfs/dbraw/zinc/40/39/98/1330403998.db2.gz HZAARRGIKHRCHW-JQWIXIFHSA-N 0 0 345.321 3.386 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000869313739 1330460037 /nfs/dbraw/zinc/46/00/37/1330460037.db2.gz BJKUAOVGNNHAKR-DTORHVGOSA-N 0 0 349.261 3.282 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000869369983 1330474825 /nfs/dbraw/zinc/47/48/25/1330474825.db2.gz BOBZWVSEZYMPEY-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)C(C)(C)C ZINC000869457561 1330503896 /nfs/dbraw/zinc/50/38/96/1330503896.db2.gz LBMQSQSGDMSTFP-SNVBAGLBSA-N 0 0 330.340 3.304 10 5 EGBERN C[C@H](C(=O)OCc1coc(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000869474226 1330507096 /nfs/dbraw/zinc/50/70/96/1330507096.db2.gz OKJWBZOBMHXYCR-VIFPVBQESA-N 0 0 334.303 3.446 10 5 EGBERN O=C(COC(=O)C1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000869810950 1330568836 /nfs/dbraw/zinc/56/88/36/1330568836.db2.gz VFSBYKKSBQSPHB-MRXNPFEDSA-N 0 0 347.367 3.060 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cncs2)cc1C(F)(F)F ZINC000952993346 1334632616 /nfs/dbraw/zinc/63/26/16/1334632616.db2.gz WVQKMSNALJKMRE-SNVBAGLBSA-N 0 0 333.291 3.216 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)CCO2 ZINC001183837414 1387356946 /nfs/dbraw/zinc/35/69/46/1387356946.db2.gz VSRSNTSNGIXPEI-UHFFFAOYSA-N 0 0 335.319 3.330 10 5 EGBERN CCNc1ncc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])s1 ZINC001183835889 1387356582 /nfs/dbraw/zinc/35/65/82/1387356582.db2.gz MORNIMXYDUSWIP-UHFFFAOYSA-N 0 0 343.368 3.284 10 5 EGBERN CCN1C[C@@H](CN(C)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC001184673240 1387506688 /nfs/dbraw/zinc/50/66/88/1387506688.db2.gz KUYAGVGVEALWPF-MRXNPFEDSA-N 0 0 327.384 3.319 10 5 EGBERN O=c1[nH]ccc(NCc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] ZINC001184831248 1387545826 /nfs/dbraw/zinc/54/58/26/1387545826.db2.gz SVMKWVYOLWBXPA-UHFFFAOYSA-N 0 0 328.353 3.431 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 ZINC001185488070 1387729140 /nfs/dbraw/zinc/72/91/40/1387729140.db2.gz DZHBGFOYHGXDBK-INIZCTEOSA-N 0 0 339.395 3.302 10 5 EGBERN COC(=O)C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCCC1 ZINC001185666539 1387773071 /nfs/dbraw/zinc/77/30/71/1387773071.db2.gz DVVHFPXIXCXZMV-UHFFFAOYSA-N 0 0 329.356 3.288 10 5 EGBERN CCC[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC001185819195 1387808083 /nfs/dbraw/zinc/80/80/83/1387808083.db2.gz JDKYTHIZRCCTET-SNVBAGLBSA-N 0 0 329.194 3.363 10 5 EGBERN COC(=O)[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@@H]1C ZINC001186130596 1387875622 /nfs/dbraw/zinc/87/56/22/1387875622.db2.gz DGCWPQSDFPFRQG-RKDXNWHRSA-N 0 0 332.278 3.001 10 5 EGBERN COC(=O)[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1C ZINC001186130875 1387875647 /nfs/dbraw/zinc/87/56/47/1387875647.db2.gz IKJWZMAFUNNVMD-SCZZXKLOSA-N 0 0 332.278 3.001 10 5 EGBERN CCc1ccc(N(CC)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191626354 1367546755 /nfs/dbraw/zinc/54/67/55/1367546755.db2.gz HQPXKXAZCKCPNT-QGZVFWFLSA-N 0 0 344.411 3.423 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccccc1N(C)C ZINC001186165992 1387887678 /nfs/dbraw/zinc/88/76/78/1387887678.db2.gz CVKNSJOOQQTVPC-UHFFFAOYSA-N 0 0 343.383 3.368 10 5 EGBERN COC(=O)c1cccc2c1CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC001191937895 1367644441 /nfs/dbraw/zinc/64/44/41/1367644441.db2.gz HILJFURSAZGTJL-UHFFFAOYSA-N 0 0 344.342 3.473 10 5 EGBERN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC[N+](=O)[O-] ZINC001194665754 1368305171 /nfs/dbraw/zinc/30/51/71/1368305171.db2.gz OGRISVZJLNNYFZ-QGZVFWFLSA-N 0 0 339.867 3.149 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001195045553 1368366264 /nfs/dbraw/zinc/36/62/64/1368366264.db2.gz LMQJWSIIMZZRSS-LLVKDONJSA-N 0 0 338.379 3.429 10 5 EGBERN CC1(C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2cc(F)ccc21 ZINC001195729116 1368478428 /nfs/dbraw/zinc/47/84/28/1368478428.db2.gz MZVRFJGHQKKQAR-UHFFFAOYSA-N 0 0 343.358 3.470 10 5 EGBERN C[C@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001197661677 1368867437 /nfs/dbraw/zinc/86/74/37/1368867437.db2.gz YNMCSHLTIRDBQG-VIFPVBQESA-N 0 0 330.369 3.156 10 5 EGBERN C[C@H]1CCC[C@@]1(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001186571629 1387971610 /nfs/dbraw/zinc/97/16/10/1387971610.db2.gz NNWURQMNKHHNQO-MGPLVRAMSA-N 0 0 335.791 3.181 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1cc(C(F)(F)F)ccn1 ZINC001186593610 1387977843 /nfs/dbraw/zinc/97/78/43/1387977843.db2.gz IVOGSYDJEOKYTA-UHFFFAOYSA-N 0 0 346.696 3.134 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@@H](OC)C12CCC2 ZINC001186661659 1387995758 /nfs/dbraw/zinc/99/57/58/1387995758.db2.gz GZIXBGKUWLJFOL-HUUCEWRRSA-N 0 0 334.372 3.059 10 5 EGBERN COc1cc(NCc2nnc3ccc(C)cn32)c(Cl)cc1[N+](=O)[O-] ZINC001186748859 1388003700 /nfs/dbraw/zinc/00/37/00/1388003700.db2.gz XGCWWRNLHSEWRN-UHFFFAOYSA-N 0 0 347.762 3.220 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1ccns1 ZINC001186990050 1388036270 /nfs/dbraw/zinc/03/62/70/1388036270.db2.gz PLTYQVMEPOPPHH-UHFFFAOYSA-N 0 0 341.776 3.128 10 5 EGBERN O=[N+]([O-])c1c(Br)cccc1Oc1ncnc2[nH]ccc21 ZINC001187429923 1388107210 /nfs/dbraw/zinc/10/72/10/1388107210.db2.gz GHFFMMHMBWUXMG-UHFFFAOYSA-N 0 0 335.117 3.421 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Sc2nnc(CC)o2)cc1C ZINC001187445974 1388109422 /nfs/dbraw/zinc/10/94/22/1388109422.db2.gz RVLNQPSANILOPL-UHFFFAOYSA-N 0 0 337.357 3.177 10 5 EGBERN CC(C)(C)OC(=O)NC(C)(C)CCNc1ncc([N+](=O)[O-])s1 ZINC001187479924 1388115700 /nfs/dbraw/zinc/11/57/00/1388115700.db2.gz YDDDHIGUHOJDCF-UHFFFAOYSA-N 0 0 330.410 3.157 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCCc3ccc(O)c(CO)c3)sc2c1 ZINC001187498172 1388118426 /nfs/dbraw/zinc/11/84/26/1388118426.db2.gz ZYTZXYWFTXTUDB-UHFFFAOYSA-N 0 0 345.380 3.057 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCC3CCC(O)CC3)c2c1 ZINC001118603068 1371206026 /nfs/dbraw/zinc/20/60/26/1371206026.db2.gz UWWONXLGSJUNQD-UHFFFAOYSA-N 0 0 336.779 3.154 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)c2c1 ZINC001118928614 1371251603 /nfs/dbraw/zinc/25/16/03/1371251603.db2.gz RDCJLIQXKMHYNJ-BBNLWSLGSA-N 0 0 346.774 3.027 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001119038243 1371267256 /nfs/dbraw/zinc/26/72/56/1371267256.db2.gz XBZXVWOYKSZPQH-UHFFFAOYSA-N 0 0 340.383 3.266 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@@H]1CCOC1 ZINC001119616675 1371376043 /nfs/dbraw/zinc/37/60/43/1371376043.db2.gz CAOZOABDFKCJIA-NSHDSACASA-N 0 0 327.764 3.151 10 5 EGBERN CNC(=O)c1ccc(Nc2cccc(-c3ccon3)c2)c([N+](=O)[O-])c1 ZINC001187709654 1388147530 /nfs/dbraw/zinc/14/75/30/1388147530.db2.gz XGKBDSPCPLETRQ-UHFFFAOYSA-N 0 0 338.323 3.353 10 5 EGBERN COc1cc(CN(C)c2ccc3ncccc3c2[N+](=O)[O-])sn1 ZINC001187733166 1388152506 /nfs/dbraw/zinc/15/25/06/1388152506.db2.gz QMFBMCRRQIXKPQ-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001187920119 1388190217 /nfs/dbraw/zinc/19/02/17/1388190217.db2.gz CZJYYUYVQKPAGB-LBPRGKRZSA-N 0 0 336.392 3.190 10 5 EGBERN C[C@H]([C@H](OC(=O)Cc1cc(C2CC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001123035529 1372366376 /nfs/dbraw/zinc/36/63/76/1372366376.db2.gz VVFVWVBAULDAMT-QGHHPUGFSA-N 0 0 348.330 3.183 10 5 EGBERN Cc1ccc(C(=O)OC[C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC001123476246 1372482455 /nfs/dbraw/zinc/48/24/55/1372482455.db2.gz HXIRCGXLNVMXCM-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN COCC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC001123890676 1372619392 /nfs/dbraw/zinc/61/93/92/1372619392.db2.gz ZWFDFFPVFCMYFS-CQSZACIVSA-N 0 0 349.774 3.151 10 5 EGBERN COCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1cccnc1 ZINC001123984494 1372646902 /nfs/dbraw/zinc/64/69/02/1372646902.db2.gz ZXARRTWDMVSGIP-INIZCTEOSA-N 0 0 343.383 3.114 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001124155914 1372680217 /nfs/dbraw/zinc/68/02/17/1372680217.db2.gz CSYLPPKTVIOWNF-JTQLQIEISA-N 0 0 329.308 3.146 10 5 EGBERN O=C(C[C@H]1COc2ccccc2O1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001124332944 1372692512 /nfs/dbraw/zinc/69/25/12/1372692512.db2.gz VGRVZFPQIMRQTM-NSHDSACASA-N 0 0 348.742 3.417 10 5 EGBERN C[C@@H](COCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001124331836 1372692871 /nfs/dbraw/zinc/69/28/71/1372692871.db2.gz LOZHTBBCFPYETN-LBPRGKRZSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1ccc(NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001124340865 1372693215 /nfs/dbraw/zinc/69/32/15/1372693215.db2.gz PNVVBGSUDTWAML-DIFFPNOSSA-N 0 0 334.372 3.210 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC001124406026 1372698859 /nfs/dbraw/zinc/69/88/59/1372698859.db2.gz GOCMOHHSNZNABR-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001125181580 1372759156 /nfs/dbraw/zinc/75/91/56/1372759156.db2.gz AMDUNGDOJCIUHC-BYCMXARLSA-N 0 0 348.399 3.140 10 5 EGBERN COc1ccc(CNC(=O)c2ccc(C(C)=O)c(C)c2)cc1[N+](=O)[O-] ZINC001125257527 1372764301 /nfs/dbraw/zinc/76/43/01/1372764301.db2.gz NRFFAYRHIGMUJR-UHFFFAOYSA-N 0 0 342.351 3.044 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125308421 1372768303 /nfs/dbraw/zinc/76/83/03/1372768303.db2.gz XBOGIQPRCRHUFW-LLVKDONJSA-N 0 0 334.322 3.163 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@]1(c2ccccc2)CCCO1 ZINC001125337594 1372771782 /nfs/dbraw/zinc/77/17/82/1372771782.db2.gz NDUKQCDWRNCFEB-KRWDZBQOSA-N 0 0 330.315 3.378 10 5 EGBERN CN(C)c1ncccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001125525962 1372801360 /nfs/dbraw/zinc/80/13/60/1372801360.db2.gz DHZMJIGTCXXHQO-UHFFFAOYSA-N 0 0 348.790 3.281 10 5 EGBERN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001125810616 1372861759 /nfs/dbraw/zinc/86/17/59/1372861759.db2.gz YTCPDMUIRMWUEL-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2c1CCC2 ZINC001125944912 1372896425 /nfs/dbraw/zinc/89/64/25/1372896425.db2.gz GCWMFVUDSWQYOZ-UHFFFAOYSA-N 0 0 340.379 3.201 10 5 EGBERN Cc1ccccc1[C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001125945606 1372896692 /nfs/dbraw/zinc/89/66/92/1372896692.db2.gz OHCJGCLUISZUPW-CQSZACIVSA-N 0 0 328.368 3.202 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001126534282 1372972504 /nfs/dbraw/zinc/97/25/04/1372972504.db2.gz ZFOUCEYCGQIAOX-SNVBAGLBSA-N 0 0 346.314 3.262 10 5 EGBERN CCc1ncc(Cl)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001126532255 1372972633 /nfs/dbraw/zinc/97/26/33/1372972633.db2.gz KKDYEZCMLCVEKX-SNVBAGLBSA-N 0 0 348.790 3.400 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1C ZINC001126914525 1373051035 /nfs/dbraw/zinc/05/10/35/1373051035.db2.gz JVQJCQSGHBAPCK-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1ccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(F)c1 ZINC001127089502 1373083396 /nfs/dbraw/zinc/08/33/96/1373083396.db2.gz TXLFVFZTYBHTFR-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nccc2cccnc21 ZINC001127205445 1373103021 /nfs/dbraw/zinc/10/30/21/1373103021.db2.gz MJDLLYSBFRTPTE-UHFFFAOYSA-N 0 0 342.742 3.121 10 5 EGBERN Cc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001127590179 1373144197 /nfs/dbraw/zinc/14/41/97/1373144197.db2.gz RHWAUDBTMJMVAD-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN CC[C@H](OC(=O)[C@@H](NC(C)=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001127623885 1373149475 /nfs/dbraw/zinc/14/94/75/1373149475.db2.gz HNGNIEIGKWFHFV-LSDHHAIUSA-N 0 0 336.388 3.140 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001127786702 1373179889 /nfs/dbraw/zinc/17/98/89/1373179889.db2.gz MDPCITFBQRSAFM-LSDHHAIUSA-N 0 0 338.379 3.364 10 5 EGBERN CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC001127864426 1373191780 /nfs/dbraw/zinc/19/17/80/1373191780.db2.gz CCLNRNRTJNWZIH-UHFFFAOYSA-N 0 0 336.351 3.461 10 5 EGBERN Cc1ccc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)c1 ZINC001128097561 1373217794 /nfs/dbraw/zinc/21/77/94/1373217794.db2.gz SWIZPHBPAGLJNY-UHFFFAOYSA-N 0 0 329.308 3.297 10 5 EGBERN Cc1onc(OC(F)F)c1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001128101695 1373218827 /nfs/dbraw/zinc/21/88/27/1373218827.db2.gz YZYVOLYBTMBSQM-UHFFFAOYSA-N 0 0 341.270 3.362 10 5 EGBERN COc1c(CNC(=O)c2c(F)cccc2[N+](=O)[O-])oc2ccccc21 ZINC001128241911 1373240033 /nfs/dbraw/zinc/24/00/33/1373240033.db2.gz OOCMQLZYGZEQJT-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN C[C@H]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128325318 1373251365 /nfs/dbraw/zinc/25/13/65/1373251365.db2.gz NHQCOBXDLGGOED-WCQYABFASA-N 0 0 327.384 3.496 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(C(F)(F)F)nn1C ZINC001128410277 1373263291 /nfs/dbraw/zinc/26/32/91/1373263291.db2.gz SDCNHAVLIJRAGV-UHFFFAOYSA-N 0 0 346.240 3.047 10 5 EGBERN Cc1cc(C)c(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(F)c1 ZINC001128539202 1373285863 /nfs/dbraw/zinc/28/58/63/1373285863.db2.gz IKIAWDCXEOQULA-UHFFFAOYSA-N 0 0 347.298 3.436 10 5 EGBERN O=C(NCC1CCCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001128945208 1373326818 /nfs/dbraw/zinc/32/68/18/1373326818.db2.gz ZBJLAVWCLHNNQJ-UHFFFAOYSA-N 0 0 342.399 3.481 10 5 EGBERN C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc2c1OCO2 ZINC001128988579 1373331592 /nfs/dbraw/zinc/33/15/92/1373331592.db2.gz JMAJGKUOGYOHEG-LLVKDONJSA-N 0 0 345.307 3.007 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC001129062540 1373341816 /nfs/dbraw/zinc/34/18/16/1373341816.db2.gz MVMWHRHDECUCCP-GFCCVEGCSA-N 0 0 346.770 3.290 10 5 EGBERN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129192841 1373359168 /nfs/dbraw/zinc/35/91/68/1373359168.db2.gz FZHLGKNKGSVHPV-PBFPGSCMSA-N 0 0 345.399 3.030 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc(F)cnc2Cl)c1F ZINC001129462779 1373387176 /nfs/dbraw/zinc/38/71/76/1373387176.db2.gz IAZHQZIVGYVYNC-UHFFFAOYSA-N 0 0 341.701 3.160 10 5 EGBERN Cc1ncccc1COC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129573578 1373399075 /nfs/dbraw/zinc/39/90/75/1373399075.db2.gz ZULWOHKQTKIOQF-UHFFFAOYSA-N 0 0 337.335 3.391 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001129693250 1373413315 /nfs/dbraw/zinc/41/33/15/1373413315.db2.gz VCUPABSHIQGXNI-NSHDSACASA-N 0 0 328.324 3.124 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)nnn3C)cc1Cl ZINC001130311155 1373489857 /nfs/dbraw/zinc/48/98/57/1373489857.db2.gz CUAIOJFQTSUBFD-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOc2c(F)ccc(F)c21 ZINC001130565500 1373560246 /nfs/dbraw/zinc/56/02/46/1373560246.db2.gz QCKZLYBRSZCZEL-FPYGCLRLSA-N 0 0 346.289 3.312 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cn2ccccc2n1 ZINC001130959448 1373616479 /nfs/dbraw/zinc/61/64/79/1373616479.db2.gz HBRXQSDLCALWKF-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN CCOc1cc(NC(=O)C(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001130997865 1373622971 /nfs/dbraw/zinc/62/29/71/1373622971.db2.gz VWBJFCXYBHDDIH-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C(F)F)C2CCCCC2)n1 ZINC001131426489 1373695673 /nfs/dbraw/zinc/69/56/73/1373695673.db2.gz SDDWNAJICKLXFF-CYBMUJFWSA-N 0 0 327.331 3.242 10 5 EGBERN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001131511346 1373713501 /nfs/dbraw/zinc/71/35/01/1373713501.db2.gz CSLLRHWPFVEWJC-ZIAGYGMSSA-N 0 0 344.333 3.355 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc2c(c1)C[C@H](C)O2 ZINC001131789330 1373808208 /nfs/dbraw/zinc/80/82/08/1373808208.db2.gz LSNRESDURXOUER-NSHDSACASA-N 0 0 343.335 3.284 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cnc(Cl)c(F)c1 ZINC001188324524 1388290939 /nfs/dbraw/zinc/29/09/39/1388290939.db2.gz JLSJXDBARLJIQV-UHFFFAOYSA-N 0 0 344.751 3.065 10 5 EGBERN CN(CC(=O)NCc1ccc(C(C)(C)C)o1)c1ccccc1[N+](=O)[O-] ZINC001132555966 1375462911 /nfs/dbraw/zinc/46/29/11/1375462911.db2.gz RHEBYNOUTBMYIN-UHFFFAOYSA-N 0 0 345.399 3.238 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001132750121 1375545939 /nfs/dbraw/zinc/54/59/39/1375545939.db2.gz PPHNROGVUNQXJM-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCCc1sccc1C ZINC001132750181 1375546098 /nfs/dbraw/zinc/54/60/98/1375546098.db2.gz CNKPGSAHKIVZQI-UHFFFAOYSA-N 0 0 335.385 3.330 10 5 EGBERN Cc1ccc(CS(=O)(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001327117082 1388388561 /nfs/dbraw/zinc/38/85/61/1388388561.db2.gz ZBUOFPQCJHEHAL-UHFFFAOYSA-N 0 0 346.408 3.057 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001132960056 1375674581 /nfs/dbraw/zinc/67/45/81/1375674581.db2.gz MYISGVWVZGQRBL-JTQLQIEISA-N 0 0 333.319 3.270 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1nsc2ccc(C)cc21 ZINC001132959488 1375674751 /nfs/dbraw/zinc/67/47/51/1375674751.db2.gz FYCSLSWYNLBRNL-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H](C)c1ccccc1C ZINC001132960617 1375675978 /nfs/dbraw/zinc/67/59/78/1375675978.db2.gz ZZIJXVNGNGBVIU-LBPRGKRZSA-N 0 0 329.356 3.439 10 5 EGBERN COc1ccc(C(=O)Nc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001133262275 1375877930 /nfs/dbraw/zinc/87/79/30/1375877930.db2.gz NDMCIUSMWYIGIU-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC001133420542 1375997393 /nfs/dbraw/zinc/99/73/93/1375997393.db2.gz DUZNVESGHPICJE-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN Cc1coc(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001133463386 1376021681 /nfs/dbraw/zinc/02/16/81/1376021681.db2.gz PDHRCNGNEZEPOM-UHFFFAOYSA-N 0 0 334.284 3.080 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3cccc(F)c3)CCC2)n1 ZINC001133522927 1376058481 /nfs/dbraw/zinc/05/84/81/1376058481.db2.gz KJXSJLKHQPVZRM-UHFFFAOYSA-N 0 0 343.358 3.289 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001133654656 1376140778 /nfs/dbraw/zinc/14/07/78/1376140778.db2.gz PJLCGMWSYAWPNN-LLVKDONJSA-N 0 0 329.312 3.302 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@@]2(=O)CCc3ccccc32)c1C ZINC001134012312 1376311219 /nfs/dbraw/zinc/31/12/19/1376311219.db2.gz LARVYSUCSMQZSJ-XMMPIXPASA-N 0 0 344.392 3.435 10 5 EGBERN Cc1cc(C(=O)N[C@]2(C)CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC001134265218 1376445154 /nfs/dbraw/zinc/44/51/54/1376445154.db2.gz CSXWADULAKEOFQ-GOSISDBHSA-N 0 0 326.352 3.331 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CCC[C@]4(CCOC4)O3)c2)c1 ZINC001189060558 1388449670 /nfs/dbraw/zinc/44/96/70/1388449670.db2.gz ARAJKADEYGXMIW-ZWKOTPCHSA-N 0 0 343.383 3.187 10 5 EGBERN COC(=O)c1csc(CSc2ccc([N+](=O)[O-])cc2F)n1 ZINC001189092273 1388456957 /nfs/dbraw/zinc/45/69/57/1388456957.db2.gz CEXHGSKXKPFQJH-UHFFFAOYSA-N 0 0 328.346 3.269 10 5 EGBERN Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc([N+](=O)[O-])c1 ZINC001135145270 1376933027 /nfs/dbraw/zinc/93/30/27/1376933027.db2.gz MZEVXKSAYXHDCP-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1cc(OCCOc2ccc3c(c2)OCO3)c(F)cc1[N+](=O)[O-] ZINC001189174213 1388473037 /nfs/dbraw/zinc/47/30/37/1388473037.db2.gz QZVLKEVPIPASMD-UHFFFAOYSA-N 0 0 335.287 3.229 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1N(C)C ZINC001135322201 1377037032 /nfs/dbraw/zinc/03/70/32/1377037032.db2.gz UDEGCKMJRJMXNG-SECBINFHSA-N 0 0 337.376 3.352 10 5 EGBERN Cc1cc(COC(=O)[C@@H]2COc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC001266572892 1377335655 /nfs/dbraw/zinc/33/56/55/1377335655.db2.gz ZYZKBRASSIRZHB-AWEZNQCLSA-N 0 0 345.326 3.337 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001136785021 1377423049 /nfs/dbraw/zinc/42/30/49/1377423049.db2.gz LVGXZTKDXNWWOW-NSHDSACASA-N 0 0 345.786 3.290 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137039529 1377463314 /nfs/dbraw/zinc/46/33/14/1377463314.db2.gz ZUFJLTCYKWVDCG-LLVKDONJSA-N 0 0 336.779 3.065 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2n1 ZINC001137114842 1377481025 /nfs/dbraw/zinc/48/10/25/1377481025.db2.gz QXOXXHXZJWQHAG-UHFFFAOYSA-N 0 0 338.367 3.224 10 5 EGBERN CO/C(=C/c1ccccc1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001137759837 1377611352 /nfs/dbraw/zinc/61/13/52/1377611352.db2.gz MCVKZYBAFXWMSQ-MHWRWJLKSA-N 0 0 328.324 3.229 10 5 EGBERN C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001138106199 1377677917 /nfs/dbraw/zinc/67/79/17/1377677917.db2.gz HDQCZJBWWSDZOU-NSHDSACASA-N 0 0 327.340 3.240 10 5 EGBERN CC(C)C(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)C ZINC001138348440 1377707430 /nfs/dbraw/zinc/70/74/30/1377707430.db2.gz GDGRRVQLTYNJGH-UHFFFAOYSA-N 0 0 336.417 3.258 10 5 EGBERN Nc1nccc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001139287575 1377862958 /nfs/dbraw/zinc/86/29/58/1377862958.db2.gz JKLNPTFVRQGCMI-JKSUJKDBSA-N 0 0 348.362 3.011 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001139547286 1377902750 /nfs/dbraw/zinc/90/27/50/1377902750.db2.gz ZSHSEBXKOYZJEG-JQWIXIFHSA-N 0 0 348.790 3.298 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCCCCC1 ZINC001141251135 1378283778 /nfs/dbraw/zinc/28/37/78/1378283778.db2.gz VVLUUCDBVXQDEJ-UHFFFAOYSA-N 0 0 343.383 3.315 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC001141299829 1378296079 /nfs/dbraw/zinc/29/60/79/1378296079.db2.gz PHSLZCWMGQAGMC-INIZCTEOSA-N 0 0 348.786 3.362 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC001141433698 1378325245 /nfs/dbraw/zinc/32/52/45/1378325245.db2.gz WVZLKWMQVLLGKX-UHFFFAOYSA-N 0 0 348.362 3.183 10 5 EGBERN O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC001280489311 1378350692 /nfs/dbraw/zinc/35/06/92/1378350692.db2.gz YBIAEKZTHHXBNA-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC001141899503 1378390889 /nfs/dbraw/zinc/39/08/89/1378390889.db2.gz XIIBHGNTLKECLH-SNVBAGLBSA-N 0 0 326.784 3.156 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001141959330 1378398581 /nfs/dbraw/zinc/39/85/81/1378398581.db2.gz SMAFLEYQARNTEY-MRXNPFEDSA-N 0 0 329.331 3.293 10 5 EGBERN CCCc1n[nH]c(C(=O)N(CC2CCCCC2)OCC)c1[N+](=O)[O-] ZINC001141992714 1378402595 /nfs/dbraw/zinc/40/25/95/1378402595.db2.gz BDFDNYPORLGSMP-UHFFFAOYSA-N 0 0 338.408 3.244 10 5 EGBERN CC(C)OCc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001142128449 1378415050 /nfs/dbraw/zinc/41/50/50/1378415050.db2.gz NVBVKLQFUDGBHS-UHFFFAOYSA-N 0 0 338.751 3.149 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC001142286290 1378428894 /nfs/dbraw/zinc/42/88/94/1378428894.db2.gz SOYAVDHKKBRJBC-CYBMUJFWSA-N 0 0 346.774 3.203 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001143093624 1378538563 /nfs/dbraw/zinc/53/85/63/1378538563.db2.gz YNBMHKUOFDYVOD-SNVBAGLBSA-N 0 0 344.327 3.287 10 5 EGBERN CC1(C)C(c2cc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n[nH]2)C1(C)C ZINC001143442971 1378597707 /nfs/dbraw/zinc/59/77/07/1378597707.db2.gz ISLNQWJVNBOFOU-UHFFFAOYSA-N 0 0 343.387 3.302 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc2c1COCC2 ZINC001327562929 1388559674 /nfs/dbraw/zinc/55/96/74/1388559674.db2.gz AEDYQFXDCFZTPZ-UHFFFAOYSA-N 0 0 343.335 3.033 10 5 EGBERN COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001143565984 1378617676 /nfs/dbraw/zinc/61/76/76/1378617676.db2.gz SYZVPLZVSBVYQI-INIZCTEOSA-N 0 0 341.367 3.163 10 5 EGBERN O=C(NC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001146261739 1378805174 /nfs/dbraw/zinc/80/51/74/1378805174.db2.gz ONRLSXMAEKLYFV-OAHLLOKOSA-N 0 0 346.770 3.292 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001146956096 1378947266 /nfs/dbraw/zinc/94/72/66/1378947266.db2.gz ACDMRCHFNNGUHD-LBPRGKRZSA-N 0 0 348.786 3.374 10 5 EGBERN Nc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc(F)cc1[N+](=O)[O-] ZINC001147581689 1379045839 /nfs/dbraw/zinc/04/58/39/1379045839.db2.gz XGWUAQSWCHBOHY-GXFFZTMASA-N 0 0 349.749 3.255 10 5 EGBERN Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001148637604 1379232575 /nfs/dbraw/zinc/23/25/75/1379232575.db2.gz GVAASPFZZHIGFA-UHFFFAOYSA-N 0 0 348.359 3.024 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001149362758 1379369355 /nfs/dbraw/zinc/36/93/55/1379369355.db2.gz DLPYVQQXRMPQDN-CQSZACIVSA-N 0 0 326.352 3.061 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C)c(C)[nH]1 ZINC001149405142 1379377696 /nfs/dbraw/zinc/37/76/96/1379377696.db2.gz UTVSLZMPXDYVIO-UHFFFAOYSA-N 0 0 348.428 3.367 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(O)cc1 ZINC001150082591 1379491478 /nfs/dbraw/zinc/49/14/78/1379491478.db2.gz XFMDIUBJOANHAA-UHFFFAOYSA-N 0 0 349.730 3.165 10 5 EGBERN CN(CCC(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001150940071 1379636386 /nfs/dbraw/zinc/63/63/86/1379636386.db2.gz YURFVJDEJTYSSI-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN Cc1ccc(CNC(=O)CNc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC001152085910 1379859771 /nfs/dbraw/zinc/85/97/71/1379859771.db2.gz KXVQKBARYVXBDC-UHFFFAOYSA-N 0 0 327.384 3.248 10 5 EGBERN COc1ccc(NC(=O)c2oc3ccccc3c2CO)cc1[N+](=O)[O-] ZINC001152085326 1379859873 /nfs/dbraw/zinc/85/98/73/1379859873.db2.gz HILZWKMQWXTOSP-UHFFFAOYSA-N 0 0 342.307 3.094 10 5 EGBERN CCCC[C@H](O)CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153130742 1380027305 /nfs/dbraw/zinc/02/73/05/1380027305.db2.gz HHSLTLQSLSOCOE-KRWDZBQOSA-N 0 0 334.416 3.417 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)CCCC2 ZINC001153291730 1380050062 /nfs/dbraw/zinc/05/00/62/1380050062.db2.gz YNNBWVGFFMHYPU-UHFFFAOYSA-N 0 0 340.379 3.152 10 5 EGBERN Cc1ccc(C=CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cn1 ZINC001153757961 1380123389 /nfs/dbraw/zinc/12/33/89/1380123389.db2.gz QJEZSZDMIXWNQR-BQYQJAHWSA-N 0 0 349.350 3.340 10 5 EGBERN CC(C)(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)s1 ZINC001154308476 1380253128 /nfs/dbraw/zinc/25/31/28/1380253128.db2.gz VOWYMFSDKZMSJI-UHFFFAOYSA-N 0 0 333.413 3.466 10 5 EGBERN Cc1c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]c2c1C(=O)CCC2 ZINC001154712806 1380337595 /nfs/dbraw/zinc/33/75/95/1380337595.db2.gz GSYHHBATWKYWLP-LLVKDONJSA-N 0 0 341.367 3.241 10 5 EGBERN O=C(N[C@@H](CO)CC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001155345044 1380440200 /nfs/dbraw/zinc/44/02/00/1380440200.db2.gz GGADWWRIENMPIE-MRXNPFEDSA-N 0 0 346.427 3.074 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC001157524559 1380955637 /nfs/dbraw/zinc/95/56/37/1380955637.db2.gz PWHGDFVYLWLHQZ-CYBMUJFWSA-N 0 0 342.395 3.498 10 5 EGBERN Cc1cc(F)c(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1F ZINC001158231400 1381168317 /nfs/dbraw/zinc/16/83/17/1381168317.db2.gz FQMDMERULCECSN-UHFFFAOYSA-N 0 0 335.310 3.253 10 5 EGBERN Cc1cnc2c(NC(=O)c3nn(C)cc3[N+](=O)[O-])cccc2c1Cl ZINC001287327389 1381175144 /nfs/dbraw/zinc/17/51/44/1381175144.db2.gz VNWYNBZDEZIJNN-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001287581375 1381270381 /nfs/dbraw/zinc/27/03/81/1381270381.db2.gz LBBVWMZKZYQFMN-GFCCVEGCSA-N 0 0 339.189 3.420 10 5 EGBERN COc1c(C(=O)Nc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC001288128237 1381572140 /nfs/dbraw/zinc/57/21/40/1381572140.db2.gz MYDZYHIOSVKXMC-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN Cc1c(CC(=O)NCc2cccc3ncccc23)cccc1[N+](=O)[O-] ZINC001288609159 1381893905 /nfs/dbraw/zinc/89/39/05/1381893905.db2.gz DWIVXBVTDXZCTR-UHFFFAOYSA-N 0 0 335.363 3.310 10 5 EGBERN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001288749438 1381924295 /nfs/dbraw/zinc/92/42/95/1381924295.db2.gz VXHBHVZZGQUUIY-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN CCOc1ccc(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC001289505255 1382001798 /nfs/dbraw/zinc/00/17/98/1382001798.db2.gz OFTBZELUIAJSGZ-GHXNOFRVSA-N 0 0 340.379 3.366 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001328481783 1388760687 /nfs/dbraw/zinc/76/06/87/1388760687.db2.gz XGYMMGBOIGOYOH-IPWFMCSPSA-N 0 0 342.367 3.379 10 5 EGBERN CNc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001291968904 1382163525 /nfs/dbraw/zinc/16/35/25/1382163525.db2.gz BQHKNSQRXZWUTF-UHFFFAOYSA-N 0 0 333.775 3.262 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ncc(Cc2ccccc2)o1 ZINC001293541423 1382297543 /nfs/dbraw/zinc/29/75/43/1382297543.db2.gz NQXLCUFDNYLZPD-UHFFFAOYSA-N 0 0 337.335 3.104 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2c(n1)CCCN2 ZINC001161556470 1382438360 /nfs/dbraw/zinc/43/83/60/1382438360.db2.gz LLGYIQWOPKREFT-UHFFFAOYSA-N 0 0 349.350 3.148 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCSC ZINC001294425181 1382455747 /nfs/dbraw/zinc/45/57/47/1382455747.db2.gz LPTFARYDFAZUDJ-UHFFFAOYSA-N 0 0 349.460 3.453 10 5 EGBERN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001161843340 1382526745 /nfs/dbraw/zinc/52/67/45/1382526745.db2.gz FSDIWFGVNZLDNC-UNEWFSDZSA-N 0 0 334.416 3.351 10 5 EGBERN CC1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001295134567 1382551080 /nfs/dbraw/zinc/55/10/80/1382551080.db2.gz IBBSLOHGVXUNHP-UHFFFAOYSA-N 0 0 339.395 3.371 10 5 EGBERN CCOC(=O)c1cnc(CC)nc1Oc1cc(C)ccc1[N+](=O)[O-] ZINC001161998698 1382594401 /nfs/dbraw/zinc/59/44/01/1382594401.db2.gz NXYACVXJXBWMJH-UHFFFAOYSA-N 0 0 331.328 3.225 10 5 EGBERN COc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)ccc1O ZINC001162120280 1382632730 /nfs/dbraw/zinc/63/27/30/1382632730.db2.gz LLDXSYSYSLIYGO-UHFFFAOYSA-N 0 0 343.261 3.335 10 5 EGBERN CC(C)(C)C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC001295756332 1382802706 /nfs/dbraw/zinc/80/27/06/1382802706.db2.gz KQZSYXQKPPHEHW-YFKPBYRVSA-N 0 0 342.705 3.068 10 5 EGBERN NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001162679861 1382831644 /nfs/dbraw/zinc/83/16/44/1382831644.db2.gz ABQHEDCNHLXZOO-CQSZACIVSA-N 0 0 337.738 3.416 10 5 EGBERN CC[C@H](NC(=O)c1cccc2nsnc21)c1cccc([N+](=O)[O-])c1 ZINC001295820191 1382835782 /nfs/dbraw/zinc/83/57/82/1382835782.db2.gz CEANJDSKOUYGLC-ZDUSSCGKSA-N 0 0 342.380 3.481 10 5 EGBERN COc1ccc(CN(C)c2nccc3c2cccc3[N+](=O)[O-])cc1O ZINC001162837547 1382891259 /nfs/dbraw/zinc/89/12/59/1382891259.db2.gz CGOPXNGNYKYFFJ-UHFFFAOYSA-N 0 0 339.351 3.494 10 5 EGBERN CCC[C@H](C)c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001163270921 1383009294 /nfs/dbraw/zinc/00/92/94/1383009294.db2.gz IHUBEIDKJDKJJQ-NSHDSACASA-N 0 0 331.376 3.272 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@]2(CO)CCc3ccccc32)c2ccccc21 ZINC001163643548 1383094260 /nfs/dbraw/zinc/09/42/60/1383094260.db2.gz UERLZMICDGAPKT-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCCS3)c2c1 ZINC001163825957 1383126228 /nfs/dbraw/zinc/12/62/28/1383126228.db2.gz NYEMKUVDZKLJTC-GFCCVEGCSA-N 0 0 333.413 3.271 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCc1nc2c(s1)CCC2 ZINC001164098904 1383156383 /nfs/dbraw/zinc/15/63/83/1383156383.db2.gz LFLIDTGLNQNPKK-UHFFFAOYSA-N 0 0 334.357 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001164114693 1383157615 /nfs/dbraw/zinc/15/76/15/1383157615.db2.gz TZFNQVBPWCVMIU-LRDDRELGSA-N 0 0 346.314 3.265 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(n3cccn3)CC2)nc1-c1ccccc1 ZINC001164234515 1383169605 /nfs/dbraw/zinc/16/96/05/1383169605.db2.gz QQEXGJLWTAXZOU-UHFFFAOYSA-N 0 0 335.367 3.455 10 5 EGBERN CCc1noc([C@H]2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001164282414 1383174089 /nfs/dbraw/zinc/17/40/89/1383174089.db2.gz JEPYKSFBOUEGOP-WPRPVWTQSA-N 0 0 337.767 3.337 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001164342928 1383179073 /nfs/dbraw/zinc/17/90/73/1383179073.db2.gz VLODFOITLQYJLO-SNVBAGLBSA-N 0 0 334.357 3.029 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1Oc1ncnc3ccc(F)cc31)OCCO2 ZINC001164357923 1383180730 /nfs/dbraw/zinc/18/07/30/1383180730.db2.gz GSDKEEBHFSZERB-UHFFFAOYSA-N 0 0 343.270 3.241 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC001298311714 1383390440 /nfs/dbraw/zinc/39/04/40/1383390440.db2.gz LXFUKTNVGGSPIM-MRXNPFEDSA-N 0 0 348.786 3.362 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001328774324 1388855027 /nfs/dbraw/zinc/85/50/27/1388855027.db2.gz IAOOVWQUCSQVGC-WQHBLYJGSA-N 0 0 335.310 3.240 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001301093097 1383695363 /nfs/dbraw/zinc/69/53/63/1383695363.db2.gz IKIUHLMRGATELP-IBWPDUFMSA-N 0 0 338.363 3.288 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(O)ccc2C)cc1OC ZINC001302438294 1383753290 /nfs/dbraw/zinc/75/32/90/1383753290.db2.gz ZTPALPRDVMVDBT-UHFFFAOYSA-N 0 0 346.339 3.268 10 5 EGBERN CCON(CC)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001302622016 1383761606 /nfs/dbraw/zinc/76/16/06/1383761606.db2.gz KGXQZBORQNZTGV-UHFFFAOYSA-N 0 0 349.309 3.216 10 5 EGBERN CCON(CC)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001302620475 1383761750 /nfs/dbraw/zinc/76/17/50/1383761750.db2.gz NNVMGDPEGASZEG-UHFFFAOYSA-N 0 0 335.404 3.245 10 5 EGBERN CSc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001168136843 1383824624 /nfs/dbraw/zinc/82/46/24/1383824624.db2.gz VORSJNONPYWXIV-BZNIZROVSA-N 0 0 346.408 3.169 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001328827610 1388882761 /nfs/dbraw/zinc/88/27/61/1388882761.db2.gz MJMSYHDMOYVWFH-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccnc2ccncc21 ZINC001306862627 1383912090 /nfs/dbraw/zinc/91/20/90/1383912090.db2.gz ONDHFROLVFGXBC-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN O=C(N[C@@H]1CCc2cccc3cccc1c32)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306898880 1383916561 /nfs/dbraw/zinc/91/65/61/1383916561.db2.gz SLCHSMRUWVVIPG-MRXNPFEDSA-N 0 0 349.346 3.266 10 5 EGBERN COc1cc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC001306914256 1383919753 /nfs/dbraw/zinc/91/97/53/1383919753.db2.gz FZCDQFZUFQQQKC-UHFFFAOYSA-N 0 0 334.328 3.373 10 5 EGBERN CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC001306943797 1383924543 /nfs/dbraw/zinc/92/45/43/1383924543.db2.gz SXSBREVDYGPTRC-UHFFFAOYSA-N 0 0 349.390 3.050 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(Nc2cnn(-c3ccccc3F)c2)cc1F ZINC001306992234 1383930821 /nfs/dbraw/zinc/93/08/21/1383930821.db2.gz BBAQMXORUDFPQE-UHFFFAOYSA-N 0 0 346.293 3.295 10 5 EGBERN Cc1nnc([C@H](C)Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])o1 ZINC001307000305 1383931514 /nfs/dbraw/zinc/93/15/14/1383931514.db2.gz YCFWUBUJOOAQIX-ZETCQYMHSA-N 0 0 333.735 3.083 10 5 EGBERN Cn1c2ccccc2c(NCC2(C3CC3)CCC2)c([N+](=O)[O-])c1=O ZINC001307075114 1383937122 /nfs/dbraw/zinc/93/71/22/1383937122.db2.gz PAPGUAXIDXJRFY-UHFFFAOYSA-N 0 0 327.384 3.439 10 5 EGBERN C[C@@H]1C[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001307080345 1383937636 /nfs/dbraw/zinc/93/76/36/1383937636.db2.gz LHGKXGUNEVTEIX-GHMZBOCLSA-N 0 0 335.791 3.445 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@H]1O ZINC001307083184 1383938469 /nfs/dbraw/zinc/93/84/69/1383938469.db2.gz HOEQTLTXZRNBKZ-FZKQIMNGSA-N 0 0 340.379 3.033 10 5 EGBERN COC(=O)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCCC1 ZINC001307091706 1383938767 /nfs/dbraw/zinc/93/87/67/1383938767.db2.gz FKSZMBQJOIAOMP-UHFFFAOYSA-N 0 0 347.415 3.404 10 5 EGBERN C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)NC(=O)OC(C)(C)C ZINC001307110039 1383941520 /nfs/dbraw/zinc/94/15/20/1383941520.db2.gz FTCFODWUSAFHNK-NSHDSACASA-N 0 0 346.387 3.468 10 5 EGBERN C[C@@H]1C[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[C@H](C)O1 ZINC001307144197 1383944926 /nfs/dbraw/zinc/94/49/26/1383944926.db2.gz RNPQBWGGECNUOG-OUAUKWLOSA-N 0 0 335.791 3.444 10 5 EGBERN COc1cc(N2CC[C@@H](c3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307216733 1383958712 /nfs/dbraw/zinc/95/87/12/1383958712.db2.gz YXPFRBHHYVDFCC-SNVBAGLBSA-N 0 0 334.763 3.041 10 5 EGBERN COC(=O)c1ccc2c(c1)OCCN(c1ccc([N+](=O)[O-])c(C)c1)C2 ZINC001307230206 1383961987 /nfs/dbraw/zinc/96/19/87/1383961987.db2.gz RNMQRBSYFOVZBS-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN COc1ccc([C@@H]2CCCN2c2c([N+](=O)[O-])cccc2[N+](=O)[O-])nc1 ZINC001307230431 1383962070 /nfs/dbraw/zinc/96/20/70/1383962070.db2.gz QTFACCIFLJFGQH-ZDUSSCGKSA-N 0 0 344.327 3.248 10 5 EGBERN COC(=O)c1ccc(OCC(=O)C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001307327520 1383971914 /nfs/dbraw/zinc/97/19/14/1383971914.db2.gz FSTSPIJVTXMIQV-UHFFFAOYSA-N 0 0 335.356 3.012 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2cccc(C(C)=O)c2F)c1 ZINC001307393941 1383981854 /nfs/dbraw/zinc/98/18/54/1383981854.db2.gz UABJYPRBVBXMCK-UHFFFAOYSA-N 0 0 347.298 3.302 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001307406524 1383983549 /nfs/dbraw/zinc/98/35/49/1383983549.db2.gz BPEWQPKGNJWFQU-ZANVPECISA-N 0 0 344.770 3.461 10 5 EGBERN Cn1c2ccncc2nc1SCCOc1ccc([N+](=O)[O-])cc1 ZINC001307406914 1383984800 /nfs/dbraw/zinc/98/48/00/1383984800.db2.gz QJFWSWLOMUIUGX-UHFFFAOYSA-N 0 0 330.369 3.048 10 5 EGBERN COC(=O)c1ccc(F)c(CN2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC001168784520 1384003586 /nfs/dbraw/zinc/00/35/86/1384003586.db2.gz DGRWESQTAHFQKV-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)c1cc(F)ccc1F ZINC001308159286 1384103256 /nfs/dbraw/zinc/10/32/56/1384103256.db2.gz HBYIBXCLUAGTBX-CQSZACIVSA-N 0 0 342.729 3.350 10 5 EGBERN CCCOc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1C ZINC001169340999 1384138076 /nfs/dbraw/zinc/13/80/76/1384138076.db2.gz WCUBLGMIRAKMMN-UHFFFAOYSA-N 0 0 338.751 3.321 10 5 EGBERN Cc1ccsc1[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001169626369 1384166593 /nfs/dbraw/zinc/16/65/93/1384166593.db2.gz BMSHNQXDDIKMJI-CYBMUJFWSA-N 0 0 326.805 3.441 10 5 EGBERN Cc1ccc(CNC(=O)NCc2cc(O)ccc2Cl)cc1[N+](=O)[O-] ZINC001313154772 1384400057 /nfs/dbraw/zinc/40/00/57/1384400057.db2.gz GITFGSSLGMWNNM-UHFFFAOYSA-N 0 0 349.774 3.262 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001171670135 1384596828 /nfs/dbraw/zinc/59/68/28/1384596828.db2.gz AXADEWHTTLCRQH-CQSZACIVSA-N 0 0 338.404 3.156 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(F)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001171935080 1384687447 /nfs/dbraw/zinc/68/74/47/1384687447.db2.gz YDIMOSRFNKXXCR-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN CCN(CCNC(=O)C1(CC)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317483608 1385180590 /nfs/dbraw/zinc/18/05/90/1385180590.db2.gz FSSWWPBPNLQKMA-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CC1(C)CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001175332193 1385255740 /nfs/dbraw/zinc/25/57/40/1385255740.db2.gz XXVNRJJTXWAOQU-ZIAGYGMSSA-N 0 0 342.399 3.410 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ncccc12 ZINC001176038040 1385468735 /nfs/dbraw/zinc/46/87/35/1385468735.db2.gz ZORBCUDSXWFFJB-NWDGAFQWSA-N 0 0 338.367 3.393 10 5 EGBERN C[C@H]1CCC(F)(F)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176898976 1385736033 /nfs/dbraw/zinc/73/60/33/1385736033.db2.gz VMXCMIHTXBOYOB-NSHDSACASA-N 0 0 327.331 3.043 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCc2c1cccc2F ZINC001178079489 1386123881 /nfs/dbraw/zinc/12/38/81/1386123881.db2.gz UZOPAAZDFFCDKF-HNNXBMFYSA-N 0 0 332.306 3.219 10 5 EGBERN Cn1cnc2ccc(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC001178836191 1386322916 /nfs/dbraw/zinc/32/29/16/1386322916.db2.gz IUGXLHIBKFMINK-UHFFFAOYSA-N 0 0 344.758 3.316 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCCc2cccnc21 ZINC001179733889 1386566471 /nfs/dbraw/zinc/56/64/71/1386566471.db2.gz LTZNUHXVKZHVHL-AWEZNQCLSA-N 0 0 345.786 3.380 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321408968 1386896073 /nfs/dbraw/zinc/89/60/73/1386896073.db2.gz RLHUDICYSZDVQU-LLVKDONJSA-N 0 0 341.371 3.310 10 5 EGBERN Cc1cccnc1/C=C\c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001322246626 1387119497 /nfs/dbraw/zinc/11/94/97/1387119497.db2.gz AXIJAWKHNVAHSK-HJWRWDBZSA-N 0 0 338.323 3.431 10 5 EGBERN Cc1cncc(/C=C/c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 ZINC001322398636 1387179122 /nfs/dbraw/zinc/17/91/22/1387179122.db2.gz DPXRYPQQDRJJRW-VOTSOKGWSA-N 0 0 338.323 3.431 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCc3ccccc32)n1 ZINC001329451121 1389115006 /nfs/dbraw/zinc/11/50/06/1389115006.db2.gz UTIJHIVOBHRIAS-ZDUSSCGKSA-N 0 0 329.356 3.088 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001329590554 1389169981 /nfs/dbraw/zinc/16/99/81/1389169981.db2.gz ZEOMJMXSPFAEDJ-IEBDPFPHSA-N 0 0 330.718 3.412 10 5 EGBERN C[C@](CO)(NC(=O)CCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001329651851 1389197709 /nfs/dbraw/zinc/19/77/09/1389197709.db2.gz HGNMJAHIMATISF-QGZVFWFLSA-N 0 0 348.424 3.003 10 5 EGBERN Cc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc(-c2cccnc2)n1 ZINC001329665203 1389199043 /nfs/dbraw/zinc/19/90/43/1389199043.db2.gz DIRBUHFYSHXVOV-UHFFFAOYSA-N 0 0 333.351 3.275 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001331674714 1389853317 /nfs/dbraw/zinc/85/33/17/1389853317.db2.gz SFRMJZXAAUYEAI-KSSFIOAISA-N 0 0 340.379 3.389 10 5 EGBERN O=C1C[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)Oc2ccccc21 ZINC001331908157 1389906112 /nfs/dbraw/zinc/90/61/12/1389906112.db2.gz QSHVJZVDYCQCFA-NSHDSACASA-N 0 0 339.351 3.009 10 5 EGBERN CCCc1ccn(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)n1 ZINC001332270632 1390071178 /nfs/dbraw/zinc/07/11/78/1390071178.db2.gz WCEPSNNRGLHOAC-UHFFFAOYSA-N 0 0 347.762 3.496 10 5 EGBERN C[C@H](C(=O)Oc1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001344239629 1390777213 /nfs/dbraw/zinc/77/72/13/1390777213.db2.gz CPNNERWJHZTJLN-GZMMTYOYSA-N 0 0 344.161 3.078 10 5 EGBERN O=C(OC[C@]12CCC[C@H]1OCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001344315030 1390781356 /nfs/dbraw/zinc/78/13/56/1390781356.db2.gz LURHFFDMHRXDBI-NVXWUHKLSA-N 0 0 330.340 3.192 10 5 EGBERN CC[C@](C)(O)CCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001344958633 1390827613 /nfs/dbraw/zinc/82/76/13/1390827613.db2.gz FSZGOEOJHPIICO-FQEVSTJZSA-N 0 0 339.391 3.389 10 5 EGBERN O=C(OCc1ccnn1C(F)F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345532994 1390864250 /nfs/dbraw/zinc/86/42/50/1390864250.db2.gz VAHASPPGBZIFOC-QWHCGFSZSA-N 0 0 337.282 3.033 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CCOC2(CCC2)C1 ZINC001345609947 1390868609 /nfs/dbraw/zinc/86/86/09/1390868609.db2.gz LUQZWVHRASLJTG-HNNXBMFYSA-N 0 0 333.384 3.420 10 5 EGBERN Cc1cc(C)cc(CN(C)c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)c1 ZINC001345785178 1390884702 /nfs/dbraw/zinc/88/47/02/1390884702.db2.gz URIMGRMZESJZFE-AWEZNQCLSA-N 0 0 343.431 3.279 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C[C@@H](C)C1O ZINC001346630264 1390964071 /nfs/dbraw/zinc/96/40/71/1390964071.db2.gz HKLUWTIQIHPYCI-VXGBXAGGSA-N 0 0 343.383 3.229 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC(C4CCOCC4)C3)c2c1 ZINC001347242499 1391036994 /nfs/dbraw/zinc/03/69/94/1391036994.db2.gz CIORYDIMHWLAIE-UHFFFAOYSA-N 0 0 348.790 3.054 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001347716631 1391114699 /nfs/dbraw/zinc/11/46/99/1391114699.db2.gz NVHUAZUOBVPDKY-LSDHHAIUSA-N 0 0 349.387 3.169 10 5 EGBERN Cc1ccc(NC(=O)[C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC001348415150 1391215761 /nfs/dbraw/zinc/21/57/61/1391215761.db2.gz DQYCJGREEIZWKM-INIZCTEOSA-N 0 0 328.368 3.398 10 5 EGBERN CC(=O)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001348437899 1391219250 /nfs/dbraw/zinc/21/92/50/1391219250.db2.gz CIUNJZNWYCYUBT-UHFFFAOYSA-N 0 0 347.758 3.240 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@]2(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC001348729839 1391258079 /nfs/dbraw/zinc/25/80/79/1391258079.db2.gz WKRUQQACCGBABB-LJQANCHMSA-N 0 0 340.379 3.027 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001348793331 1391267863 /nfs/dbraw/zinc/26/78/63/1391267863.db2.gz HMITWCGQSRCSMI-GXTWGEPZSA-N 0 0 338.791 3.422 10 5 EGBERN CC[C@@H]1CCC[C@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349071155 1391300600 /nfs/dbraw/zinc/30/06/00/1391300600.db2.gz CTTXCKGXZVEHHJ-BEFAXECRSA-N 0 0 345.443 3.460 10 5 EGBERN O=C(c1cccc(C(F)(F)F)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001349113776 1391303753 /nfs/dbraw/zinc/30/37/53/1391303753.db2.gz WBRCFJROGWESDG-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN CSc1cccc(C(=O)OC[C@@]23CCC[C@H]2OCC3)c1[N+](=O)[O-] ZINC001349675050 1391351786 /nfs/dbraw/zinc/35/17/86/1391351786.db2.gz BMUGALSMIBANLK-CJNGLKHVSA-N 0 0 337.397 3.433 10 5 EGBERN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001349768725 1391364699 /nfs/dbraw/zinc/36/46/99/1391364699.db2.gz ZYSKZYWXDVDZNL-JTQLQIEISA-N 0 0 348.428 3.167 10 5 EGBERN O=C(Oc1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001349814121 1391370558 /nfs/dbraw/zinc/37/05/58/1391370558.db2.gz XZZUWRPBCJXKMT-UHFFFAOYSA-N 0 0 333.271 3.114 10 5 EGBERN CO[C@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001350245412 1391436001 /nfs/dbraw/zinc/43/60/01/1391436001.db2.gz JFVCSYSDJXBIJT-HAQNSBGRSA-N 0 0 329.356 3.295 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC001350396641 1391458511 /nfs/dbraw/zinc/45/85/11/1391458511.db2.gz KTFLGHHTNVVJCH-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CC(C)CCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001350498047 1391471760 /nfs/dbraw/zinc/47/17/60/1391471760.db2.gz RQZYPJJHHVQGAK-UHFFFAOYSA-N 0 0 333.432 3.460 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc(F)c1 ZINC001350818554 1391538858 /nfs/dbraw/zinc/53/88/58/1391538858.db2.gz RHRVAEPRGUNADX-UHFFFAOYSA-N 0 0 334.372 3.428 10 5 EGBERN Cc1ccccc1OCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001351206799 1391610724 /nfs/dbraw/zinc/61/07/24/1391610724.db2.gz AJVKBSVKFDRJNQ-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001351337097 1391629097 /nfs/dbraw/zinc/62/90/97/1391629097.db2.gz ZXCUUUHBNAQNMX-UHFFFAOYSA-N 0 0 333.325 3.477 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCc2ccccc2O1 ZINC001351887101 1391710733 /nfs/dbraw/zinc/71/07/33/1391710733.db2.gz FGAOAFMFSHYZHQ-OAHLLOKOSA-N 0 0 334.278 3.205 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Oc1cccc([N+](=O)[O-])c1 ZINC001351937175 1391720407 /nfs/dbraw/zinc/72/04/07/1391720407.db2.gz SWIVAMKUVUSVKY-NSHDSACASA-N 0 0 326.308 3.016 10 5 EGBERN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001351946869 1391721615 /nfs/dbraw/zinc/72/16/15/1391721615.db2.gz HVGOYZOVVXWNCB-UHFFFAOYSA-N 0 0 338.367 3.306 10 5 EGBERN Cc1ccc(OC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC001352502304 1391805812 /nfs/dbraw/zinc/80/58/12/1391805812.db2.gz XOYMTBYOKNOVGS-UHFFFAOYSA-N 0 0 337.335 3.367 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1-n1ccnn1 ZINC001352649253 1391829164 /nfs/dbraw/zinc/82/91/64/1391829164.db2.gz UWNFVRWDQWCWDD-UHFFFAOYSA-N 0 0 349.759 3.143 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001352659628 1391830054 /nfs/dbraw/zinc/83/00/54/1391830054.db2.gz HRDOWGZDEWSHBR-CQSZACIVSA-N 0 0 326.352 3.347 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1F ZINC001352828555 1391855996 /nfs/dbraw/zinc/85/59/96/1391855996.db2.gz ICYGYZWNSPBJCE-UHFFFAOYSA-N 0 0 334.372 3.428 10 5 EGBERN O=C(c1cccc2scnc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001353163420 1391947994 /nfs/dbraw/zinc/94/79/94/1391947994.db2.gz VCHYAEXWDMPAPR-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353229761 1391966889 /nfs/dbraw/zinc/96/68/89/1391966889.db2.gz TZXXFSSXVLWIOJ-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC001353277271 1391981797 /nfs/dbraw/zinc/98/17/97/1391981797.db2.gz ZHVPQWFQONTRLA-GOSISDBHSA-N 0 0 348.399 3.167 10 5 EGBERN CCOc1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001353603642 1392048388 /nfs/dbraw/zinc/04/83/88/1392048388.db2.gz MSAGFBWVNZAEDW-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN CN(C(=O)c1cc2c(cc1Cl)NC(=O)C2)c1ccc([N+](=O)[O-])cc1 ZINC001353919598 1392108260 /nfs/dbraw/zinc/10/82/60/1392108260.db2.gz BVCCWASGDQJDEN-UHFFFAOYSA-N 0 0 345.742 3.019 10 5 EGBERN Cc1ccc(C)c(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C ZINC001354173284 1392124394 /nfs/dbraw/zinc/12/43/94/1392124394.db2.gz IHGTZFOHNFDWKK-UHFFFAOYSA-N 0 0 329.308 3.468 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCCN1C(=O)CC(C)C ZINC001354533338 1392150925 /nfs/dbraw/zinc/15/09/25/1392150925.db2.gz KCEKPGDQAIENDG-OAHLLOKOSA-N 0 0 348.399 3.236 10 5 EGBERN O=C(C=C1CCC1)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725815647 1426492286 /nfs/dbraw/zinc/49/22/86/1426492286.db2.gz XADXQQRJWAIHEN-UHFFFAOYSA-N 0 0 347.440 3.015 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCC1CC1 ZINC001707866458 1417385145 /nfs/dbraw/zinc/38/51/45/1417385145.db2.gz BINJKLMNULVACD-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)OC ZINC001709592596 1417442363 /nfs/dbraw/zinc/44/23/63/1417442363.db2.gz OIXQDZHRVMGSPC-CYBMUJFWSA-N 0 0 347.419 3.125 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccoc1 ZINC001710031609 1417460442 /nfs/dbraw/zinc/46/04/42/1417460442.db2.gz SGTMOGOONWFMKO-UHFFFAOYSA-N 0 0 341.371 3.341 10 5 EGBERN CN(CCN(C)C(=O)CCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001715509129 1420192864 /nfs/dbraw/zinc/19/28/64/1420192864.db2.gz LKZCGMTXMFWLGL-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN O=C(CC1=CCCCC1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001716677904 1420833271 /nfs/dbraw/zinc/83/32/71/1420833271.db2.gz NHBOPIMNFFEVGC-UHFFFAOYSA-N 0 0 349.456 3.285 10 5 EGBERN CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001716719127 1420876110 /nfs/dbraw/zinc/87/61/10/1420876110.db2.gz SCQZMTLROHQOHK-CALCHBBNSA-N 0 0 345.443 3.350 10 5 EGBERN CC(C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1[C@@H]1C[C@@H]1C ZINC001723168538 1424314227 /nfs/dbraw/zinc/31/42/27/1424314227.db2.gz CWFNBHOJEZSDEA-BLLLJJGKSA-N 0 0 341.415 3.453 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1[C@H]1C[C@@H]1C ZINC001762888032 1441379364 /nfs/dbraw/zinc/37/93/64/1441379364.db2.gz YIBCHMSKWCNSGT-WFASDCNBSA-N 0 0 329.404 3.009 10 5 EGBERN CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001765328087 1441396212 /nfs/dbraw/zinc/39/62/12/1441396212.db2.gz SKJYZPHLXSAPNG-PLNGDYQASA-N 0 0 327.388 3.418 10 5 EGBERN Cc1nn(-c2nc(Cl)ccc2[N+](=O)[O-])c(C)c1Br ZINC000050593896 214060117 /nfs/dbraw/zinc/06/01/17/214060117.db2.gz IEKUMDUQILBYKS-UHFFFAOYSA-N 0 0 331.557 3.208 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000368291795 168339072 /nfs/dbraw/zinc/33/90/72/168339072.db2.gz AVUQBKRSJUFAKB-UHFFFAOYSA-N 0 0 341.371 3.105 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1[N+](=O)[O-] ZINC000173962471 231083600 /nfs/dbraw/zinc/08/36/00/231083600.db2.gz OLCNOGOCSUKNND-UHFFFAOYSA-N 0 0 333.369 3.046 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2cccc(F)c2)c1 ZINC000049998702 214040495 /nfs/dbraw/zinc/04/04/95/214040495.db2.gz WXLFBNYRHYCRGX-MRXNPFEDSA-N 0 0 327.315 3.331 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153913938 529459393 /nfs/dbraw/zinc/45/93/93/529459393.db2.gz KLNHQWMNONVEOD-ZPMVXHMNSA-N 0 0 331.825 3.135 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000187443015 529634962 /nfs/dbraw/zinc/63/49/62/529634962.db2.gz HSWJXWCOQASGTN-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN Cc1ccc(C2=NC(=CNc3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1 ZINC000004590726 210229410 /nfs/dbraw/zinc/22/94/10/210229410.db2.gz OWUIUCJZPCHPLR-YBEGLDIGSA-N 0 0 337.335 3.469 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114439525 282302431 /nfs/dbraw/zinc/30/24/31/282302431.db2.gz YFSMHBURXGAUTE-SFHVURJKSA-N 0 0 346.431 3.147 10 5 EGBERN Cc1c(Cn2c3ccccc3nc2NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000047369988 213845835 /nfs/dbraw/zinc/84/58/35/213845835.db2.gz GVXAZMNFFSHWLH-GFCCVEGCSA-N 0 0 340.383 3.094 10 5 EGBERN O=C(CSc1ccc(O)cc1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000065537587 214952095 /nfs/dbraw/zinc/95/20/95/214952095.db2.gz GWTJWCLXGVEVPB-UHFFFAOYSA-N 0 0 344.392 3.372 10 5 EGBERN CCC(CC)N(CCOC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102636398 219216446 /nfs/dbraw/zinc/21/64/46/219216446.db2.gz YFFBFKJYKBRFMJ-UHFFFAOYSA-N 0 0 333.388 3.353 10 5 EGBERN O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccncc1[N+](=O)[O-] ZINC000067169265 215120132 /nfs/dbraw/zinc/12/01/32/215120132.db2.gz SBHKFQSBWAMKHM-UHFFFAOYSA-N 0 0 330.731 3.237 10 5 EGBERN CC(=O)c1ccc(NC[C@@H](O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000042098944 213479911 /nfs/dbraw/zinc/47/99/11/213479911.db2.gz AGXSDBDHRYIJTJ-MRXNPFEDSA-N 0 0 336.294 3.221 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Oc3ccc(C)cc3)c2[N+](=O)[O-])n1 ZINC000040659832 213365612 /nfs/dbraw/zinc/36/56/12/213365612.db2.gz XZTCFPSZTDJVMY-UHFFFAOYSA-N 0 0 325.328 3.288 10 5 EGBERN CCOc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040649201 213363983 /nfs/dbraw/zinc/36/39/83/213363983.db2.gz JZFBZRKWHDOOBO-UHFFFAOYSA-N 0 0 339.149 3.290 10 5 EGBERN CCOc1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040649612 213363570 /nfs/dbraw/zinc/36/35/70/213363570.db2.gz DJRZNLDMNALTEC-UHFFFAOYSA-N 0 0 346.391 3.242 10 5 EGBERN COc1ccccc1NC(=O)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000069970894 215649542 /nfs/dbraw/zinc/64/95/42/215649542.db2.gz KZTYGRJOVATIBL-UHFFFAOYSA-N 0 0 325.324 3.197 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCOc2ccccc21 ZINC000103374951 291163213 /nfs/dbraw/zinc/16/32/13/291163213.db2.gz BNYHSZZRVKDJOD-BLLLJJGKSA-N 0 0 338.363 3.439 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000359706049 283475214 /nfs/dbraw/zinc/47/52/14/283475214.db2.gz KWRMZGYYYUZKIO-MWLCHTKSSA-N 0 0 345.321 3.122 10 5 EGBERN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000339065785 299322740 /nfs/dbraw/zinc/32/27/40/299322740.db2.gz HEZPFMGFOXJIQE-ZDUSSCGKSA-N 0 0 338.367 3.337 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000180702110 283676921 /nfs/dbraw/zinc/67/69/21/283676921.db2.gz ASMARRLXQUIIOW-CYBMUJFWSA-N 0 0 331.759 3.248 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000180702124 283677720 /nfs/dbraw/zinc/67/77/20/283677720.db2.gz ASMARRLXQUIIOW-ZDUSSCGKSA-N 0 0 331.759 3.248 10 5 EGBERN CNc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] ZINC000023986745 212401351 /nfs/dbraw/zinc/40/13/51/212401351.db2.gz WMCKORDSTBRTMB-KRWDZBQOSA-N 0 0 338.367 3.365 10 5 EGBERN CN(CC(=O)Nc1cccc2ccccc21)c1ccc([N+](=O)[O-])cn1 ZINC000023817612 212396641 /nfs/dbraw/zinc/39/66/41/212396641.db2.gz HGHWPHIMMDVFRD-UHFFFAOYSA-N 0 0 336.351 3.218 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000346438496 296105046 /nfs/dbraw/zinc/10/50/46/296105046.db2.gz QZFBKHBXGPIBJU-QWHCGFSZSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC000134023804 223465847 /nfs/dbraw/zinc/46/58/47/223465847.db2.gz SSVKRSAAVRRSMB-RISCZKNCSA-N 0 0 334.397 3.207 10 5 EGBERN Cc1sc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000134571317 223509705 /nfs/dbraw/zinc/50/97/05/223509705.db2.gz RZEIEWYIOFPQDZ-AAEUAGOBSA-N 0 0 326.418 3.026 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110600202 220046707 /nfs/dbraw/zinc/04/67/07/220046707.db2.gz AVQFKXOLABXUMZ-ZFWWWQNUSA-N 0 0 325.368 3.170 10 5 EGBERN Cc1c(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000080123621 217280786 /nfs/dbraw/zinc/28/07/86/217280786.db2.gz GBZBEHIJVKRKCY-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN CC(=O)Nc1nc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000084807717 217648202 /nfs/dbraw/zinc/64/82/02/217648202.db2.gz LHNHACHIKAAHGK-VIFPVBQESA-N 0 0 349.368 3.236 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265002994 247128149 /nfs/dbraw/zinc/12/81/49/247128149.db2.gz VRLUYKHTWJQHJV-JTQLQIEISA-N 0 0 339.355 3.496 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3C)CCC2)n1 ZINC000265360612 247436546 /nfs/dbraw/zinc/43/65/46/247436546.db2.gz ZNKXLDKOUZJXNO-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN Cc1nsc(N2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000266581817 248370461 /nfs/dbraw/zinc/37/04/61/248370461.db2.gz IFKRAVLHWXHADM-GFCCVEGCSA-N 0 0 347.444 3.028 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](c2ccccc2)[C@H]2CCOC2)nc2sccn21 ZINC000378412884 169116919 /nfs/dbraw/zinc/11/69/19/169116919.db2.gz SFPPKSZUDRJLJU-STQMWFEESA-N 0 0 344.396 3.494 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000408085463 169159030 /nfs/dbraw/zinc/15/90/30/169159030.db2.gz ZZFDPAPCTNECMP-ZDUSSCGKSA-N 0 0 338.429 3.104 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000011585210 211223792 /nfs/dbraw/zinc/22/37/92/211223792.db2.gz HPKUXGZGCPHCDT-INIZCTEOSA-N 0 0 336.351 3.448 10 5 EGBERN COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c([N+](=O)[O-])cc1O ZINC000009479691 211089439 /nfs/dbraw/zinc/08/94/39/211089439.db2.gz QRIFYBZUUIALBR-NYYWCZLTSA-N 0 0 346.726 3.455 10 5 EGBERN CC[NH+](CC)[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166093307 284789835 /nfs/dbraw/zinc/78/98/35/284789835.db2.gz PXEINGJXEPAHFW-KRWDZBQOSA-N 0 0 343.383 3.322 10 5 EGBERN Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000008768452 211002851 /nfs/dbraw/zinc/00/28/51/211002851.db2.gz ZFGWQMXYZVFSFW-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc(CNc2cccc(-c3ncon3)c2)cc1[N+](=O)[O-] ZINC000095429287 218372192 /nfs/dbraw/zinc/37/21/92/218372192.db2.gz JDQZJBAZMQNYJW-UHFFFAOYSA-N 0 0 326.312 3.266 10 5 EGBERN CCOc1cccc(NC2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000096011519 218513840 /nfs/dbraw/zinc/51/38/40/218513840.db2.gz MGLXNODMPKIICZ-UHFFFAOYSA-N 0 0 342.399 3.469 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCCC2)ccc1Cl ZINC000007377766 210789743 /nfs/dbraw/zinc/78/97/43/210789743.db2.gz DQLUBUWDRKHFHC-UHFFFAOYSA-N 0 0 332.809 3.203 10 5 EGBERN O=C1[C@H]2C[C@H](C3CCCCC3)CN2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000370324799 285010068 /nfs/dbraw/zinc/01/00/68/285010068.db2.gz KOZDWDHSJODBFZ-XJKSGUPXSA-N 0 0 343.383 3.332 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000154185560 285092633 /nfs/dbraw/zinc/09/26/33/285092633.db2.gz GGFSVGCKGQTCOJ-ZWNOBZJWSA-N 0 0 329.809 3.110 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC([C@H](O)c2ccccc2)CC1 ZINC000097046787 285116143 /nfs/dbraw/zinc/11/61/43/285116143.db2.gz WMEALWWYDHJVQS-LJQANCHMSA-N 0 0 342.395 3.037 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCc3cccc(Br)c3C2)s1 ZINC000192458625 285178167 /nfs/dbraw/zinc/17/81/67/285178167.db2.gz HZSPTKGOCRBRGN-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN O=C(CC[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119590493 221355411 /nfs/dbraw/zinc/35/54/11/221355411.db2.gz CTLJBSWFICFMET-SNVBAGLBSA-N 0 0 343.177 3.255 10 5 EGBERN COC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000342886172 285396292 /nfs/dbraw/zinc/39/62/92/285396292.db2.gz GJBZFJHZIVTJPU-HNNXBMFYSA-N 0 0 339.351 3.194 10 5 EGBERN Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)n1 ZINC000337817434 141061190 /nfs/dbraw/zinc/06/11/90/141061190.db2.gz PAEVSTLNLUCSOH-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2ccccc2s1 ZINC000338040498 141079020 /nfs/dbraw/zinc/07/90/20/141079020.db2.gz CYAVJPLJTXDJGX-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000338082459 141089721 /nfs/dbraw/zinc/08/97/21/141089721.db2.gz DOOCOXPIEMTGDI-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN Cc1nc(C(F)(F)F)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000338090853 141091669 /nfs/dbraw/zinc/09/16/69/141091669.db2.gz NFFSTVYRDJDECV-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN O=c1[nH]c(NCc2ccc(C(F)F)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000342839639 141151959 /nfs/dbraw/zinc/15/19/59/141151959.db2.gz KPCHTIWRNUQVHV-UHFFFAOYSA-N 0 0 346.293 3.215 10 5 EGBERN Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000342850173 141152367 /nfs/dbraw/zinc/15/23/67/141152367.db2.gz LQVBMRITDUPHRN-UHFFFAOYSA-N 0 0 348.413 3.147 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(F)F)c1Cl ZINC000348150661 141239197 /nfs/dbraw/zinc/23/91/97/141239197.db2.gz ZDPDCWDWWIEQLW-UHFFFAOYSA-N 0 0 344.705 3.329 10 5 EGBERN CCNc1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000356316418 141340637 /nfs/dbraw/zinc/34/06/37/141340637.db2.gz VVLYYMOBPWDDRO-UHFFFAOYSA-N 0 0 331.294 3.099 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000359605367 141384362 /nfs/dbraw/zinc/38/43/62/141384362.db2.gz PCPFVFGEWVGLPX-UHFFFAOYSA-N 0 0 339.351 3.253 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C2CC2)cc1 ZINC000360149940 141409783 /nfs/dbraw/zinc/40/97/83/141409783.db2.gz PMLYYWITLZHGPZ-UHFFFAOYSA-N 0 0 346.408 3.259 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000050423489 142575805 /nfs/dbraw/zinc/57/58/05/142575805.db2.gz DETWHAYVYOIEMY-UHFFFAOYSA-N 0 0 328.368 3.322 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(Cl)cc2)n1 ZINC000322622778 142617793 /nfs/dbraw/zinc/61/77/93/142617793.db2.gz POMDLDHDXXENNI-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170943733 143999157 /nfs/dbraw/zinc/99/91/57/143999157.db2.gz PPQGYBZJPKRILR-DLBZAZTESA-N 0 0 340.379 3.366 10 5 EGBERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000172971220 144032333 /nfs/dbraw/zinc/03/23/33/144032333.db2.gz RKPCCWLITFSKFA-LBPRGKRZSA-N 0 0 332.331 3.069 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173150288 144036336 /nfs/dbraw/zinc/03/63/36/144036336.db2.gz YEWGZHJFSOJXAF-UHFFFAOYSA-N 0 0 328.368 3.195 10 5 EGBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[S@]1=O ZINC000185222615 144106841 /nfs/dbraw/zinc/10/68/41/144106841.db2.gz UBOBXAVKCZZMKU-JOCHJYFZSA-N 0 0 344.864 3.371 10 5 EGBERN COc1cc(NCCCc2nc(C(C)C)no2)c(F)cc1[N+](=O)[O-] ZINC000351446496 144265436 /nfs/dbraw/zinc/26/54/36/144265436.db2.gz AAKDYKTXTKHONT-UHFFFAOYSA-N 0 0 338.339 3.294 10 5 EGBERN CC(C)(C)CCc1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000351624097 144288906 /nfs/dbraw/zinc/28/89/06/144288906.db2.gz WVQSJJCBDFMMCI-UHFFFAOYSA-N 0 0 342.359 3.204 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC000363760534 144364032 /nfs/dbraw/zinc/36/40/32/144364032.db2.gz ZODOJWIZPBYCNT-HNNXBMFYSA-N 0 0 325.368 3.115 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000363856391 144372323 /nfs/dbraw/zinc/37/23/23/144372323.db2.gz OJEDCARLQTWIFY-MRXNPFEDSA-N 0 0 336.363 3.155 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000363874851 144372940 /nfs/dbraw/zinc/37/29/40/144372940.db2.gz XAAFYARHSWCIEI-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000374287145 144536594 /nfs/dbraw/zinc/53/65/94/144536594.db2.gz JPOBKXWBXCOIBX-SFHVURJKSA-N 0 0 343.358 3.318 10 5 EGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1F ZINC000374531822 144546483 /nfs/dbraw/zinc/54/64/83/144546483.db2.gz SSIBFBCLOKWXBI-YHWZYXNKSA-N 0 0 330.363 3.382 10 5 EGBERN C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341276579 155224641 /nfs/dbraw/zinc/22/46/41/155224641.db2.gz GBGNLCBJAKRHCI-NWDGAFQWSA-N 0 0 332.331 3.379 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000115589087 152019666 /nfs/dbraw/zinc/01/96/66/152019666.db2.gz UOAIZFHTPSHTNQ-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccc(F)cc12 ZINC000116820930 152077103 /nfs/dbraw/zinc/07/71/03/152077103.db2.gz LIVKGODUONCCIO-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)ccc1[N+](=O)[O-] ZINC000116822769 152077998 /nfs/dbraw/zinc/07/79/98/152077998.db2.gz HRZODSWTTYEJQO-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CCOC(=O)c1cn(Cc2csc([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000117554343 152103021 /nfs/dbraw/zinc/10/30/21/152103021.db2.gz JWQTUWKKKNMXCZ-UHFFFAOYSA-N 0 0 349.290 3.097 10 5 EGBERN CN(Cc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341527649 155336454 /nfs/dbraw/zinc/33/64/54/155336454.db2.gz QBOALUROJGAPLQ-UHFFFAOYSA-N 0 0 328.303 3.019 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1N(C)C(C)=O ZINC000118390116 152138712 /nfs/dbraw/zinc/13/87/12/152138712.db2.gz PQZCIVNRKCWDKU-UHFFFAOYSA-N 0 0 329.356 3.198 10 5 EGBERN Cn1nnnc1-c1cccc(NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000121722697 152367765 /nfs/dbraw/zinc/36/77/65/152367765.db2.gz VITQHHBWZQNINY-UHFFFAOYSA-N 0 0 344.762 3.051 10 5 EGBERN O=[N+]([O-])c1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160603267 152763568 /nfs/dbraw/zinc/76/35/68/152763568.db2.gz ASIDYFDPSCVGHE-INIZCTEOSA-N 0 0 341.415 3.250 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C)c2ccncc2OC)cc1[N+](=O)[O-] ZINC000189675688 153089229 /nfs/dbraw/zinc/08/92/29/153089229.db2.gz UJJQKJIKPILVBH-LLVKDONJSA-N 0 0 329.356 3.052 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000191903812 153229372 /nfs/dbraw/zinc/22/93/72/153229372.db2.gz BYWNSESKZPRLBJ-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN Nc1nccc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000192757561 153258368 /nfs/dbraw/zinc/25/83/68/153258368.db2.gz LYFUBRKQFFEVLX-SNVBAGLBSA-N 0 0 333.779 3.004 10 5 EGBERN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000192869066 153264686 /nfs/dbraw/zinc/26/46/86/153264686.db2.gz ZNXYUZZYSVPMEF-QGZVFWFLSA-N 0 0 341.367 3.284 10 5 EGBERN Nc1nccc([C@@H]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000193535603 153295128 /nfs/dbraw/zinc/29/51/28/153295128.db2.gz CMRBRHUYVBQLOW-SNVBAGLBSA-N 0 0 333.779 3.004 10 5 EGBERN CN1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000195312715 153395250 /nfs/dbraw/zinc/39/52/50/153395250.db2.gz XOTJFDFDXYGGRO-LBPRGKRZSA-N 0 0 343.358 3.087 10 5 EGBERN Cc1cnc([C@@H](C)Nc2c(Br)cncc2[N+](=O)[O-])o1 ZINC000235223319 153449112 /nfs/dbraw/zinc/44/91/12/153449112.db2.gz WUKFEUAUPYXUHP-SSDOTTSWSA-N 0 0 327.138 3.222 10 5 EGBERN COc1cc(OC)c(CNc2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000325294602 154178394 /nfs/dbraw/zinc/17/83/94/154178394.db2.gz TUVQSNDRBHQVFY-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2C(F)F)cc([N+](=O)[O-])c1C ZINC000337305886 154273153 /nfs/dbraw/zinc/27/31/53/154273153.db2.gz TUVPBRCIGJWRPJ-NSHDSACASA-N 0 0 328.315 3.172 10 5 EGBERN CN(c1cccc2cccnc21)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000337318016 154280756 /nfs/dbraw/zinc/28/07/56/154280756.db2.gz ZCJZRXMZLXSOSC-UHFFFAOYSA-N 0 0 349.393 3.030 10 5 EGBERN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000337567369 154420842 /nfs/dbraw/zinc/42/08/42/154420842.db2.gz REXGYKHZZRRPAF-UHFFFAOYSA-N 0 0 349.774 3.012 10 5 EGBERN CSc1cccc(C(=O)NCC2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000342947468 155594787 /nfs/dbraw/zinc/59/47/87/155594787.db2.gz RUWRSISLMALZAL-UHFFFAOYSA-N 0 0 334.319 3.389 10 5 EGBERN COc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000343125972 155659162 /nfs/dbraw/zinc/65/91/62/155659162.db2.gz YULKIUWWDFBITF-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000345142353 155954118 /nfs/dbraw/zinc/95/41/18/155954118.db2.gz AGSKFVIWRFJCHA-CYBMUJFWSA-N 0 0 345.399 3.355 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000346882476 156177347 /nfs/dbraw/zinc/17/73/47/156177347.db2.gz FWXQTOLDIBUNDQ-LBPRGKRZSA-N 0 0 329.278 3.076 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nccs1 ZINC000348962283 156302944 /nfs/dbraw/zinc/30/29/44/156302944.db2.gz OEQXSZNNEMKIRI-LBPRGKRZSA-N 0 0 330.369 3.414 10 5 EGBERN CO[C@@H](C)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354464620 156537830 /nfs/dbraw/zinc/53/78/30/156537830.db2.gz ITNXKVLUBDBEOS-AWEZNQCLSA-N 0 0 337.420 3.059 10 5 EGBERN C[C@@H](Sc1cccnn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000358263230 156780061 /nfs/dbraw/zinc/78/00/61/156780061.db2.gz LXFMVVURHLMJCH-SECBINFHSA-N 0 0 329.341 3.288 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[N+](=O)[O-] ZINC000365631871 157199332 /nfs/dbraw/zinc/19/93/32/157199332.db2.gz BNOXZSPAUKZHOX-PBHICJAKSA-N 0 0 326.352 3.245 10 5 EGBERN COCC[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368659908 157255803 /nfs/dbraw/zinc/25/58/03/157255803.db2.gz PSAPCZVATOAKOU-CYBMUJFWSA-N 0 0 333.388 3.375 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)C[C@H]2C)cc1OC ZINC000372870129 157402184 /nfs/dbraw/zinc/40/21/84/157402184.db2.gz SBCRWIXVBZYTSV-GFCCVEGCSA-N 0 0 348.399 3.407 10 5 EGBERN COc1ccc(Cl)cc1N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000114284870 162226695 /nfs/dbraw/zinc/22/66/95/162226695.db2.gz WDEBRVFUYWXRPV-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN CN(CC1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000121658600 162245957 /nfs/dbraw/zinc/24/59/57/162245957.db2.gz FRXXKEZUMMXGQA-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN O=C(COc1ccsc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000337026195 163109046 /nfs/dbraw/zinc/10/90/46/163109046.db2.gz BBZGLRFONPMLDC-UHFFFAOYSA-N 0 0 332.381 3.226 10 5 EGBERN CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000340072598 163483423 /nfs/dbraw/zinc/48/34/23/163483423.db2.gz KFKPNENUYPXJGU-OAHLLOKOSA-N 0 0 331.372 3.052 10 5 EGBERN CC(C)c1noc2ncc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000340263704 163525731 /nfs/dbraw/zinc/52/57/31/163525731.db2.gz KMCORQAJYUPIFZ-UHFFFAOYSA-N 0 0 340.339 3.184 10 5 EGBERN CC(C)c1noc(CNc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000340606645 163621288 /nfs/dbraw/zinc/62/12/88/163621288.db2.gz HXAVOJVTEAMIFX-UHFFFAOYSA-N 0 0 341.165 3.476 10 5 EGBERN CCc1ncnc(CC)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342169465 163803936 /nfs/dbraw/zinc/80/39/36/163803936.db2.gz FRUTUKWFXLSSAF-LBPRGKRZSA-N 0 0 342.399 3.309 10 5 EGBERN CCC1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000342208876 163814827 /nfs/dbraw/zinc/81/48/27/163814827.db2.gz OIMKQDLYLCMUHF-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000344285996 164147036 /nfs/dbraw/zinc/14/70/36/164147036.db2.gz MLVITEKMSPVEKB-IAQYHMDHSA-N 0 0 346.412 3.162 10 5 EGBERN CSc1cccc(-c2nc(Cc3ccccn3)no2)c1[N+](=O)[O-] ZINC000345659065 164236177 /nfs/dbraw/zinc/23/61/77/164236177.db2.gz HDZJJNBQKLTUTP-UHFFFAOYSA-N 0 0 328.353 3.353 10 5 EGBERN Cc1nc(CC2CC2)oc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345669613 164239020 /nfs/dbraw/zinc/23/90/20/164239020.db2.gz OEHVNCPAMDWEPI-UHFFFAOYSA-N 0 0 341.327 3.143 10 5 EGBERN COc1cc(CN2CC(F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000346341446 164371010 /nfs/dbraw/zinc/37/10/10/164371010.db2.gz XKZGSBQBCYGLNK-UHFFFAOYSA-N 0 0 346.358 3.336 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346346366 164372608 /nfs/dbraw/zinc/37/26/08/164372608.db2.gz IADDWZKTISMWNK-AWEZNQCLSA-N 0 0 330.340 3.346 10 5 EGBERN COc1ccc(OC)c(CN(c2cc(C)c([N+](=O)[O-])cn2)C2CC2)c1 ZINC000348179301 164648392 /nfs/dbraw/zinc/64/83/92/164648392.db2.gz IYLVLQXIGGUSFR-UHFFFAOYSA-N 0 0 343.383 3.484 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccn(C2CCCCC2)n1 ZINC000348295092 164698088 /nfs/dbraw/zinc/69/80/88/164698088.db2.gz VDQZDRCXEJKJKQ-UHFFFAOYSA-N 0 0 342.399 3.269 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCCOCC4)n3)c2c1 ZINC000350165932 165014874 /nfs/dbraw/zinc/01/48/74/165014874.db2.gz UIYPGIPRNBJCAQ-NSHDSACASA-N 0 0 342.355 3.334 10 5 EGBERN COc1cc(CNc2ccc(C)c(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000352028781 165199441 /nfs/dbraw/zinc/19/94/41/165199441.db2.gz WFNQAJUKOSPVMN-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)(C2CC2)CC1 ZINC000352192391 165276872 /nfs/dbraw/zinc/27/68/72/165276872.db2.gz USXADWDMYAAZMJ-ZDUSSCGKSA-N 0 0 331.416 3.434 10 5 EGBERN CCOc1ccc(S(=O)(=O)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000352192305 165277356 /nfs/dbraw/zinc/27/73/56/165277356.db2.gz KYWMWLLGHBOELU-UHFFFAOYSA-N 0 0 327.383 3.029 10 5 EGBERN COc1cc(Cn2ccnc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352214458 165288081 /nfs/dbraw/zinc/28/80/81/165288081.db2.gz PVCKXVAWWWHFQJ-UHFFFAOYSA-N 0 0 337.335 3.079 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000352217631 165290314 /nfs/dbraw/zinc/29/03/14/165290314.db2.gz QTZNZDXHHOPRGG-PRHODGIISA-N 0 0 341.289 3.489 10 5 EGBERN CCc1cnc(CCNc2nc3ccccc3cc2[N+](=O)[O-])s1 ZINC000352359314 165362524 /nfs/dbraw/zinc/36/25/24/165362524.db2.gz FWRCUPIVAYYTNO-UHFFFAOYSA-N 0 0 328.397 3.238 10 5 EGBERN CC[NH+](CC)Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000355061024 166096961 /nfs/dbraw/zinc/09/69/61/166096961.db2.gz VVDXCXYLGAMRPZ-UHFFFAOYSA-N 0 0 343.383 3.395 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1csc(-c3ccoc3)n1)CC2 ZINC000352999500 165580908 /nfs/dbraw/zinc/58/09/08/165580908.db2.gz VLVXQRJYESBCEB-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000355284793 166153429 /nfs/dbraw/zinc/15/34/29/166153429.db2.gz DGZWOOUMAXEQOL-SNVBAGLBSA-N 0 0 341.367 3.435 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000355376548 166178932 /nfs/dbraw/zinc/17/89/32/166178932.db2.gz WPBXAJMZKVZBQU-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cscn1 ZINC000355484662 166216888 /nfs/dbraw/zinc/21/68/88/166216888.db2.gz LSOYEVAIIDKIGV-UHFFFAOYSA-N 0 0 337.426 3.483 10 5 EGBERN COCC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000355588484 166251668 /nfs/dbraw/zinc/25/16/68/166251668.db2.gz CYTPZVOIOAMCKW-UHFFFAOYSA-N 0 0 326.418 3.291 10 5 EGBERN CC(=O)Nc1ccc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000355719213 166290078 /nfs/dbraw/zinc/29/00/78/166290078.db2.gz JUYPSNYNYFVSHN-UHFFFAOYSA-N 0 0 338.323 3.194 10 5 EGBERN Cc1cccnc1-c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000355839331 166324850 /nfs/dbraw/zinc/32/48/50/166324850.db2.gz KBROURVYNFLMNP-UHFFFAOYSA-N 0 0 325.328 3.003 10 5 EGBERN COc1ccc(OCc2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000355870105 166332771 /nfs/dbraw/zinc/33/27/71/166332771.db2.gz ZSLMSBUBPKNTMA-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc2ncccc21 ZINC000355926558 166349566 /nfs/dbraw/zinc/34/95/66/166349566.db2.gz QVBORBNKMTUQTG-UHFFFAOYSA-N 0 0 335.363 3.458 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000355962916 166360914 /nfs/dbraw/zinc/36/09/14/166360914.db2.gz XYOWSCRLZMEMBS-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000358442799 166866015 /nfs/dbraw/zinc/86/60/15/166866015.db2.gz JZUKBUNIIJPARX-JKSUJKDBSA-N 0 0 325.368 3.259 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(CN3CCCC3=O)cc2)n1 ZINC000359082183 167061687 /nfs/dbraw/zinc/06/16/87/167061687.db2.gz LFRQEXWPMMPDCY-UHFFFAOYSA-N 0 0 340.383 3.473 10 5 EGBERN COc1cc(OC)cc(OCCNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359089989 167064093 /nfs/dbraw/zinc/06/40/93/167064093.db2.gz CQPATZYHWJDSQF-UHFFFAOYSA-N 0 0 347.371 3.115 10 5 EGBERN Cc1nc2ccccc2n1CCCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000359157647 167083975 /nfs/dbraw/zinc/08/39/75/167083975.db2.gz GAELGVPMXLWXSK-UHFFFAOYSA-N 0 0 340.383 3.285 10 5 EGBERN Cc1sc(C(=O)NCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000359317247 167124692 /nfs/dbraw/zinc/12/46/92/167124692.db2.gz YYNGYIRWUNTFKC-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1ccnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2)n1 ZINC000359478128 167167794 /nfs/dbraw/zinc/16/77/94/167167794.db2.gz XCZAAYXSNAWWDM-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000359876742 167255349 /nfs/dbraw/zinc/25/53/49/167255349.db2.gz NAWFPIXPVHKWLP-JTQLQIEISA-N 0 0 332.360 3.332 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514227 167346975 /nfs/dbraw/zinc/34/69/75/167346975.db2.gz HGARGPDQDTYJMU-UHFFFAOYSA-N 0 0 329.356 3.082 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(CC2)c2ccccc21 ZINC000360614895 167369399 /nfs/dbraw/zinc/36/93/99/167369399.db2.gz VRQLQCRWTOHHQK-CYBMUJFWSA-N 0 0 337.379 3.474 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2ncsc2Cl)no1 ZINC000361362665 167602509 /nfs/dbraw/zinc/60/25/09/167602509.db2.gz ABPGBVXQYDYWBR-UHFFFAOYSA-N 0 0 338.732 3.334 10 5 EGBERN Cc1cc(C(F)(F)F)ncc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000362300244 167725592 /nfs/dbraw/zinc/72/55/92/167725592.db2.gz KVGYAFJCFDNRKJ-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000365957407 168064527 /nfs/dbraw/zinc/06/45/27/168064527.db2.gz WYKIZCYKAHBOKO-UKRRQHHQSA-N 0 0 325.368 3.316 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000366642314 168127303 /nfs/dbraw/zinc/12/73/03/168127303.db2.gz PQRUVFQNSWYAAT-OAHLLOKOSA-N 0 0 334.397 3.238 10 5 EGBERN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808890 168142838 /nfs/dbraw/zinc/14/28/38/168142838.db2.gz KDXAWHWBIFSWDX-VSFLAONQSA-N 0 0 346.427 3.266 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367453129 168227444 /nfs/dbraw/zinc/22/74/44/168227444.db2.gz YHSVOCQVQXLMRF-GOSISDBHSA-N 0 0 334.416 3.385 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@]23CCOC3)ccc1Br ZINC000367459989 168228505 /nfs/dbraw/zinc/22/85/05/168228505.db2.gz XOHAKANBPMMYHD-AWEZNQCLSA-N 0 0 341.205 3.112 10 5 EGBERN Cc1sc(C(=O)NCc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000368009135 168295753 /nfs/dbraw/zinc/29/57/53/168295753.db2.gz WOTSQFILSMZRIE-UHFFFAOYSA-N 0 0 331.397 3.253 10 5 EGBERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122932922 222185094 /nfs/dbraw/zinc/18/50/94/222185094.db2.gz DTMYXPVSAGWIQZ-CQSZACIVSA-N 0 0 348.424 3.378 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCSCC2)ccc1Br ZINC000122998411 222196425 /nfs/dbraw/zinc/19/64/25/222196425.db2.gz ACVUDNXUBSWIJS-UHFFFAOYSA-N 0 0 331.235 3.296 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)cc1F ZINC000087142081 264680812 /nfs/dbraw/zinc/68/08/12/264680812.db2.gz YVBKRLGNSSNDRG-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN COc1cc(C)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000087316416 264685076 /nfs/dbraw/zinc/68/50/76/264685076.db2.gz BMWPYEAYFBUXBN-UHFFFAOYSA-N 0 0 342.351 3.123 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1F ZINC000088351899 264700026 /nfs/dbraw/zinc/70/00/26/264700026.db2.gz NIVJEAPHGQKDED-VIFPVBQESA-N 0 0 335.310 3.255 10 5 EGBERN COCc1csc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000174393524 265047674 /nfs/dbraw/zinc/04/76/74/265047674.db2.gz RTGWDHYNUWPAKY-SECBINFHSA-N 0 0 336.373 3.080 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000175459302 265116056 /nfs/dbraw/zinc/11/60/56/265116056.db2.gz RCKJRPOKCNAKPI-LLVKDONJSA-N 0 0 330.340 3.108 10 5 EGBERN Cc1cnn(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177417854 265252563 /nfs/dbraw/zinc/25/25/63/265252563.db2.gz WLYGCZMSFZGLIR-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177790157 265278047 /nfs/dbraw/zinc/27/80/47/265278047.db2.gz KQSVRBHZYMIAAB-MRXNPFEDSA-N 0 0 344.367 3.493 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000177791643 265278170 /nfs/dbraw/zinc/27/81/70/265278170.db2.gz SBJIEYNMYGDJOO-NVXWUHKLSA-N 0 0 340.379 3.413 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000177862263 265281439 /nfs/dbraw/zinc/28/14/39/265281439.db2.gz GTXHZBWICDSZCF-ZIAGYGMSSA-N 0 0 330.388 3.155 10 5 EGBERN Cc1ccc(C)c(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000178643038 265333397 /nfs/dbraw/zinc/33/33/97/265333397.db2.gz YMUNJWFUCQYXIM-UHFFFAOYSA-N 0 0 334.397 3.178 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187406951 265598479 /nfs/dbraw/zinc/59/84/79/265598479.db2.gz BHEXKFFLMASMIH-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000192331900 265960691 /nfs/dbraw/zinc/96/06/91/265960691.db2.gz XBZQZLGXSRJGLF-AWEZNQCLSA-N 0 0 336.388 3.284 10 5 EGBERN COc1ccc(OC)c(CN(c2ncc([N+](=O)[O-])s2)C2CC2)c1 ZINC000195507971 266186696 /nfs/dbraw/zinc/18/66/96/266186696.db2.gz YNXJFLOYNYZNIY-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000231327527 266206086 /nfs/dbraw/zinc/20/60/86/266206086.db2.gz YRMGYSZORKCNEE-JOYOIKCWSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269498917 266306228 /nfs/dbraw/zinc/30/62/28/266306228.db2.gz YWXLNAYRXNKQCH-UHFFFAOYSA-N 0 0 342.355 3.426 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271950016 266745739 /nfs/dbraw/zinc/74/57/39/266745739.db2.gz BJQNFVVGFNIWEJ-NWDGAFQWSA-N 0 0 326.418 3.288 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@@]1(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000275156928 267324762 /nfs/dbraw/zinc/32/47/62/267324762.db2.gz TWYASZDJBLFFPC-AEFFLSMTSA-N 0 0 349.431 3.383 10 5 EGBERN CC[C@@H](NC(=O)NCCC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000276300399 267513228 /nfs/dbraw/zinc/51/32/28/267513228.db2.gz NWUXZOFRUQTTMF-OAHLLOKOSA-N 0 0 337.420 3.286 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCN(c2cccnn2)CC1 ZINC000277795971 267869987 /nfs/dbraw/zinc/86/99/87/267869987.db2.gz NUPAYUIZHFQEIT-UHFFFAOYSA-N 0 0 347.806 3.063 10 5 EGBERN Cc1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000103326281 275161539 /nfs/dbraw/zinc/16/15/39/275161539.db2.gz JVUCCIXMBGRCCR-HIFRSBDPSA-N 0 0 347.415 3.173 10 5 EGBERN C[C@@H](Oc1cccc(F)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376172 275161799 /nfs/dbraw/zinc/16/17/99/275161799.db2.gz UVZRVCDJMZBESW-VXGBXAGGSA-N 0 0 344.342 3.479 10 5 EGBERN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000109742217 275179141 /nfs/dbraw/zinc/17/91/41/275179141.db2.gz NCCFKXRUPWCNPE-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176427665 275200053 /nfs/dbraw/zinc/20/00/53/275200053.db2.gz DQYGCKAKVHZQMO-JTQLQIEISA-N 0 0 328.796 3.410 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000191755577 275222435 /nfs/dbraw/zinc/22/24/35/275222435.db2.gz VRGMNLJVRSHJBK-AAEUAGOBSA-N 0 0 347.396 3.016 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000191755606 275222463 /nfs/dbraw/zinc/22/24/63/275222463.db2.gz VRGMNLJVRSHJBK-YPMHNXCESA-N 0 0 347.396 3.016 10 5 EGBERN CC[C@@H](NC(=O)NCC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000267429355 275235575 /nfs/dbraw/zinc/23/55/75/275235575.db2.gz QVHIKKUHHMCDSE-OAHLLOKOSA-N 0 0 335.404 3.040 10 5 EGBERN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272263346 275243493 /nfs/dbraw/zinc/24/34/93/275243493.db2.gz JOYZHBKBJOPZCJ-LLVKDONJSA-N 0 0 333.775 3.106 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1F ZINC000278742117 275270671 /nfs/dbraw/zinc/27/06/71/275270671.db2.gz DUOXBKNTCNRCAD-UHFFFAOYSA-N 0 0 349.343 3.270 10 5 EGBERN CSc1ccc(C(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000280129628 275409580 /nfs/dbraw/zinc/40/95/80/275409580.db2.gz AUPBICFUWAFHBM-UHFFFAOYSA-N 0 0 334.401 3.426 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000280337126 275439287 /nfs/dbraw/zinc/43/92/87/275439287.db2.gz RPIVSTMMZSDQQD-UHFFFAOYSA-N 0 0 343.383 3.401 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000280910151 275505895 /nfs/dbraw/zinc/50/58/95/275505895.db2.gz AGIAJPJWEXQUPB-KVPRVUCYSA-N 0 0 344.415 3.237 10 5 EGBERN Cc1cc(C(=O)OCc2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC000281093487 275521335 /nfs/dbraw/zinc/52/13/35/275521335.db2.gz CZLXVIFARJJEBL-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000281864155 275583597 /nfs/dbraw/zinc/58/35/97/275583597.db2.gz NAZJEDZCRCBJAN-WCUVEOEZSA-N 0 0 339.823 3.409 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC=C(Br)C1 ZINC000282407901 275631016 /nfs/dbraw/zinc/63/10/16/275631016.db2.gz XRKLVZISGKGHNN-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282912579 275682322 /nfs/dbraw/zinc/68/23/22/275682322.db2.gz VLSNWQYERAZJGO-IAQYHMDHSA-N 0 0 340.807 3.228 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248604759 275730124 /nfs/dbraw/zinc/73/01/24/275730124.db2.gz VZPQEWLUHOODSN-DOHVERKWSA-N 0 0 342.395 3.072 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1nc2c(s1)CCCC2 ZINC000288309297 276200276 /nfs/dbraw/zinc/20/02/76/276200276.db2.gz CMETUDWFLMSENA-UHFFFAOYSA-N 0 0 335.433 3.091 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2c3ccccc3O[C@H]2C)c1[N+](=O)[O-] ZINC000289120806 276293411 /nfs/dbraw/zinc/29/34/11/276293411.db2.gz QTPWACWIQNEURS-HZMBPMFUSA-N 0 0 343.339 3.019 10 5 EGBERN CC[C@H](NC(=O)CCc1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000292593682 276832741 /nfs/dbraw/zinc/83/27/41/276832741.db2.gz VJSHZZIPBVHPIC-KRWDZBQOSA-N 0 0 327.384 3.498 10 5 EGBERN CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035516147 277168966 /nfs/dbraw/zinc/16/89/66/277168966.db2.gz GLFHWBBYXFUQFB-INIZCTEOSA-N 0 0 342.399 3.309 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000365278361 277840074 /nfs/dbraw/zinc/84/00/74/277840074.db2.gz OSOCKPBJVLVSSD-OAHLLOKOSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000133552123 277854960 /nfs/dbraw/zinc/85/49/60/277854960.db2.gz HKSFWUVKEXLDBM-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cn[nH]c1 ZINC000362358934 278232811 /nfs/dbraw/zinc/23/28/11/278232811.db2.gz LIUGSHGZTXVPTP-JTQLQIEISA-N 0 0 327.319 3.114 10 5 EGBERN C[C@@H](F)CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000356674782 278302684 /nfs/dbraw/zinc/30/26/84/278302684.db2.gz FSRRVLHOMFWAGC-QWHCGFSZSA-N 0 0 337.395 3.309 10 5 EGBERN C[C@@H]1N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC12CCOCC2 ZINC000348435516 279024594 /nfs/dbraw/zinc/02/45/94/279024594.db2.gz KGMQTLIIWSCATG-LBPRGKRZSA-N 0 0 344.367 3.372 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266048325 280356916 /nfs/dbraw/zinc/35/69/16/280356916.db2.gz WNXPCPLNGNRDKU-JTQLQIEISA-N 0 0 344.211 3.117 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000359107182 280399348 /nfs/dbraw/zinc/39/93/48/280399348.db2.gz ZBTWGRIOHLBNSL-UHFFFAOYSA-N 0 0 349.394 3.355 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](C)C2 ZINC000182203934 281113880 /nfs/dbraw/zinc/11/38/80/281113880.db2.gz WRZBRAWIRPVBKP-APPDUMDISA-N 0 0 325.368 3.270 10 5 EGBERN CC[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366649846 281176037 /nfs/dbraw/zinc/17/60/37/281176037.db2.gz DYBJWXUGPQGNPK-NHYWBVRUSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1ccnc(N2CCC[C@@](O)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000225649640 292771169 /nfs/dbraw/zinc/77/11/69/292771169.db2.gz RKXLGMLHTGZQEA-SFHVURJKSA-N 0 0 327.384 3.176 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])C(C)C ZINC000362817015 294252144 /nfs/dbraw/zinc/25/21/44/294252144.db2.gz HPLUTILOEDVBAV-LLVKDONJSA-N 0 0 326.418 3.202 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000343473809 304798441 /nfs/dbraw/zinc/79/84/41/304798441.db2.gz QWJURDZCVXOLSH-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C\c1ccccc1)O2 ZINC000027534112 304804723 /nfs/dbraw/zinc/80/47/23/304804723.db2.gz XQVIZLRGNRAZBX-TVNWYLLRSA-N 0 0 338.363 3.402 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)c2cccnc2)c1 ZINC000413590663 309038691 /nfs/dbraw/zinc/03/86/91/309038691.db2.gz RBHSNIACLAVYAB-UHFFFAOYSA-N 0 0 329.356 3.166 10 5 EGBERN C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244999 307356623 /nfs/dbraw/zinc/35/66/23/307356623.db2.gz DFWFMAWQFDIECP-SNVBAGLBSA-N 0 0 338.410 3.186 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000066327358 307361873 /nfs/dbraw/zinc/36/18/73/307361873.db2.gz PIPUBQWVBNHWNN-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067432165 307365651 /nfs/dbraw/zinc/36/56/51/307365651.db2.gz FCILBGFIGCWXTL-UHFFFAOYSA-N 0 0 340.788 3.035 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000067593930 307366673 /nfs/dbraw/zinc/36/66/73/307366673.db2.gz SVAUMABKGUSQTM-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000075277623 307398507 /nfs/dbraw/zinc/39/85/07/307398507.db2.gz UTVVALLMYBUHEJ-NEPJUHHUSA-N 0 0 334.372 3.032 10 5 EGBERN CCc1nnc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000078458718 307419288 /nfs/dbraw/zinc/41/92/88/307419288.db2.gz IDXVHESCAXKMHV-LLVKDONJSA-N 0 0 335.389 3.282 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119568230 307497361 /nfs/dbraw/zinc/49/73/61/307497361.db2.gz CXNOHTQZOVYQIL-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000135150299 307698733 /nfs/dbraw/zinc/69/87/33/307698733.db2.gz GJESHXFCOMUKGE-SJCJKPOMSA-N 0 0 341.367 3.451 10 5 EGBERN O=C(NCCCC1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000152572906 307755286 /nfs/dbraw/zinc/75/52/86/307755286.db2.gz UKOYQNBQCYNNIA-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153328267 307771120 /nfs/dbraw/zinc/77/11/20/307771120.db2.gz BWTNSCJVWHMSAQ-STQMWFEESA-N 0 0 340.445 3.324 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157647510 307848848 /nfs/dbraw/zinc/84/88/48/307848848.db2.gz RCPSWFVNIURRAH-MRXNPFEDSA-N 0 0 329.331 3.245 10 5 EGBERN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124335 307898879 /nfs/dbraw/zinc/89/88/79/307898879.db2.gz IRPFSHWRSZVQDR-WDEREUQCSA-N 0 0 334.401 3.119 10 5 EGBERN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]1C2(F)F ZINC000292887205 308076597 /nfs/dbraw/zinc/07/65/97/308076597.db2.gz QBQPHBKEBKUDKZ-XJKSGUPXSA-N 0 0 347.321 3.260 10 5 EGBERN COC[C@H]1CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000293260713 308114772 /nfs/dbraw/zinc/11/47/72/308114772.db2.gz XDLTVKNKXWCLPR-OAHLLOKOSA-N 0 0 326.352 3.051 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(CO)(c3ccccc3)CC2)cs1 ZINC000293341600 308122077 /nfs/dbraw/zinc/12/20/77/308122077.db2.gz NDXIZUUEKVJJCC-UHFFFAOYSA-N 0 0 332.425 3.182 10 5 EGBERN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(F)F ZINC000293836838 308166490 /nfs/dbraw/zinc/16/64/90/308166490.db2.gz AVRUCLFEWBFDCQ-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN O=c1[nH]c(NC[C@@H]2CCCCC2(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000294876321 308266722 /nfs/dbraw/zinc/26/67/22/308266722.db2.gz FOOQXILNHUCZEK-VIFPVBQESA-N 0 0 338.314 3.481 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](CO)(C(C)C)C1 ZINC000294981621 308278585 /nfs/dbraw/zinc/27/85/85/308278585.db2.gz ZISYXWIQGSVMAD-LSSBLYJVSA-N 0 0 346.427 3.255 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000295001143 308280464 /nfs/dbraw/zinc/28/04/64/308280464.db2.gz BXYINWMJIOBUSI-ABAIWWIYSA-N 0 0 348.790 3.168 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295038208 308284293 /nfs/dbraw/zinc/28/42/93/308284293.db2.gz IXZCTNNLTKFZJO-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295268631 308309157 /nfs/dbraw/zinc/30/91/57/308309157.db2.gz GQUDUQVWOWYDEQ-JTQLQIEISA-N 0 0 333.775 3.372 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000295272373 308309722 /nfs/dbraw/zinc/30/97/22/308309722.db2.gz HUEFMUKPNFWZRV-AWEZNQCLSA-N 0 0 340.383 3.247 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000296113693 308395107 /nfs/dbraw/zinc/39/51/07/308395107.db2.gz NRWMHHSHIZTHOW-WDEREUQCSA-N 0 0 346.305 3.163 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000297381261 308528788 /nfs/dbraw/zinc/52/87/88/308528788.db2.gz KZKJDCXIIXIDGZ-LRDDRELGSA-N 0 0 345.403 3.323 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297837565 308567194 /nfs/dbraw/zinc/56/71/94/308567194.db2.gz WEHSSKYUANHLLG-JTQLQIEISA-N 0 0 333.171 3.199 10 5 EGBERN O=C(N[C@H]1CCC[C@H](CO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000298241461 308596351 /nfs/dbraw/zinc/59/63/51/308596351.db2.gz JDUHEWCOTJDPMG-JQWIXIFHSA-N 0 0 334.397 3.090 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000298985285 308652891 /nfs/dbraw/zinc/65/28/91/308652891.db2.gz JWFZGDCWWBHEPD-ZDUSSCGKSA-N 0 0 334.397 3.285 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000301184527 308691002 /nfs/dbraw/zinc/69/10/02/308691002.db2.gz CVZCVXKVDZLVCP-LBPRGKRZSA-N 0 0 342.351 3.360 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301276808 308694673 /nfs/dbraw/zinc/69/46/73/308694673.db2.gz JDLJCVUZCPDTTE-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN CS(=O)(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1F ZINC000301291515 308695170 /nfs/dbraw/zinc/69/51/70/308695170.db2.gz PNIIQMMEAKTWEM-UHFFFAOYSA-N 0 0 327.358 3.289 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2COc3c(cccc3OC)C2)c1 ZINC000301342163 308697149 /nfs/dbraw/zinc/69/71/49/308697149.db2.gz JAFLZXFKIKTOQH-NSHDSACASA-N 0 0 348.330 3.167 10 5 EGBERN CCc1cc(NC[C@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301355364 308697529 /nfs/dbraw/zinc/69/75/29/308697529.db2.gz LRSHNUNMEJDPIX-CJNGLKHVSA-N 0 0 342.399 3.187 10 5 EGBERN C[C@H]1CN(Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000301382377 308698555 /nfs/dbraw/zinc/69/85/55/308698555.db2.gz SUMGYAKWNSDTOI-KBPBESRZSA-N 0 0 342.399 3.343 10 5 EGBERN COc1cccc(-c2noc(NCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000301390068 308698771 /nfs/dbraw/zinc/69/87/71/308698771.db2.gz ZYSUUMBJWIVDLM-UHFFFAOYSA-N 0 0 326.312 3.266 10 5 EGBERN COC(=O)c1cc(N2CCc3sccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301569101 308705564 /nfs/dbraw/zinc/70/55/64/308705564.db2.gz NHWDVZFTEICXRW-UHFFFAOYSA-N 0 0 332.381 3.314 10 5 EGBERN COc1ccc2c(c1)CN(c1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000301625133 308707946 /nfs/dbraw/zinc/70/79/46/308707946.db2.gz PPBJPBIVLUQFFM-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(F)cc1F ZINC000301672634 308710097 /nfs/dbraw/zinc/71/00/97/308710097.db2.gz GDRVEEKNUBBIBC-MRVPVSSYSA-N 0 0 349.293 3.377 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301759985 308714203 /nfs/dbraw/zinc/71/42/03/308714203.db2.gz ZQXLYYFHVVULJR-BMIGLBTASA-N 0 0 333.775 3.472 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301951117 308722867 /nfs/dbraw/zinc/72/28/67/308722867.db2.gz ZZLUWNYSLICGBB-LLVKDONJSA-N 0 0 327.344 3.209 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@@H]3c3c(F)cccc3Cl)nn21 ZINC000301956996 308722965 /nfs/dbraw/zinc/72/29/65/308722965.db2.gz FYOVMBKYUNFRMW-KWQFWETISA-N 0 0 347.737 3.398 10 5 EGBERN CC(C)Oc1cccc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301970563 308723542 /nfs/dbraw/zinc/72/35/42/308723542.db2.gz RNKQYEUGVQUEAP-UHFFFAOYSA-N 0 0 341.371 3.061 10 5 EGBERN CCOC(=O)c1cc(NCc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000302019711 308725394 /nfs/dbraw/zinc/72/53/94/308725394.db2.gz NFUANVIQBNFMOD-UHFFFAOYSA-N 0 0 335.747 3.432 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[S@@](C)=O)c2)c1 ZINC000302116574 308729587 /nfs/dbraw/zinc/72/95/87/308729587.db2.gz WHVQPQJKCCJPSB-XMMPIXPASA-N 0 0 348.380 3.004 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc(OC)cc(OC)c2)c1 ZINC000326294982 308770691 /nfs/dbraw/zinc/77/06/91/308770691.db2.gz QMVIGWACZPSGPH-UHFFFAOYSA-N 0 0 332.312 3.142 10 5 EGBERN CC(C)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000331114985 308802200 /nfs/dbraw/zinc/80/22/00/308802200.db2.gz JWJCXXPMAHFDBT-CQSZACIVSA-N 0 0 344.383 3.016 10 5 EGBERN Cc1sc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000331246514 308803449 /nfs/dbraw/zinc/80/34/49/308803449.db2.gz MKXGHJBKDLUMFN-OAHLLOKOSA-N 0 0 326.418 3.026 10 5 EGBERN C[C@@H]1C[C@H]1N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000411928028 308957973 /nfs/dbraw/zinc/95/79/73/308957973.db2.gz UBMHFGIMPBRVBK-MLGOLLRUSA-N 0 0 325.368 3.109 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412212097 308974960 /nfs/dbraw/zinc/97/49/60/308974960.db2.gz CIWDWIHZRJIDRQ-RCCFBDPRSA-N 0 0 337.379 3.361 10 5 EGBERN Cc1ccncc1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312802 308980462 /nfs/dbraw/zinc/98/04/62/308980462.db2.gz SVMQCGYMZAMTRM-DLBZAZTESA-N 0 0 325.368 3.060 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CC(C)(C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000412764009 309001620 /nfs/dbraw/zinc/00/16/20/309001620.db2.gz LJSHKDMPSAUBSQ-NSHDSACASA-N 0 0 334.372 3.032 10 5 EGBERN COc1ccc(CCCNc2ncc([N+](=O)[O-])cc2F)cc1OC ZINC000413076366 309015034 /nfs/dbraw/zinc/01/50/34/309015034.db2.gz AKJHBTOXKXJWOP-UHFFFAOYSA-N 0 0 335.335 3.191 10 5 EGBERN O=c1[nH]c(NCC2(C3CCC3)CCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000413339054 309027548 /nfs/dbraw/zinc/02/75/48/309027548.db2.gz NPWCHECQDGAPIE-UHFFFAOYSA-N 0 0 328.372 3.048 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000413412342 309031023 /nfs/dbraw/zinc/03/10/23/309031023.db2.gz FMLJHUUGTFYBRF-CABCVRRESA-N 0 0 337.383 3.410 10 5 EGBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000416036500 309155648 /nfs/dbraw/zinc/15/56/48/309155648.db2.gz UHROBSGVBRZEQL-UHFFFAOYSA-N 0 0 342.277 3.014 10 5 EGBERN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC1(C)C ZINC000416087028 309157849 /nfs/dbraw/zinc/15/78/49/309157849.db2.gz WYTNOKYDHJIBTQ-FZMZJTMJSA-N 0 0 326.343 3.356 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000416631813 309175484 /nfs/dbraw/zinc/17/54/84/309175484.db2.gz KBYRPZZZTYJLNF-UHFFFAOYSA-N 0 0 326.418 3.102 10 5 EGBERN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C1CCC1)C1CCC1 ZINC000417645337 309215766 /nfs/dbraw/zinc/21/57/66/309215766.db2.gz DCUHRXCVIMFCLK-KRWDZBQOSA-N 0 0 332.400 3.354 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420616269 309290251 /nfs/dbraw/zinc/29/02/51/309290251.db2.gz GRFKTHXDIPACME-VHSXEESVSA-N 0 0 330.182 3.122 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000420626336 309290707 /nfs/dbraw/zinc/29/07/07/309290707.db2.gz YPTJSHXPOIWBPJ-CYBMUJFWSA-N 0 0 333.388 3.101 10 5 EGBERN C[C@@H]1CC[C@@H](O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420637400 309291243 /nfs/dbraw/zinc/29/12/43/309291243.db2.gz NSQJHWHUUDWVOM-CZUORRHYSA-N 0 0 340.379 3.175 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000421461788 309325622 /nfs/dbraw/zinc/32/56/22/309325622.db2.gz IWFZJOJUAWOOBP-MRXNPFEDSA-N 0 0 328.368 3.329 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000421524775 309328353 /nfs/dbraw/zinc/32/83/53/309328353.db2.gz LTGNFXOOQJLBNV-HUUCEWRRSA-N 0 0 332.400 3.100 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC000421597906 309331347 /nfs/dbraw/zinc/33/13/47/309331347.db2.gz XSVNYDBTRJVBEM-ZDUSSCGKSA-N 0 0 334.441 3.475 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421864503 309344188 /nfs/dbraw/zinc/34/41/88/309344188.db2.gz BEOGHEPDNGRTBJ-LBPRGKRZSA-N 0 0 329.356 3.106 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000421880917 309344756 /nfs/dbraw/zinc/34/47/56/309344756.db2.gz AVOKVCQZKSCTRU-KYJSFNMBSA-N 0 0 346.427 3.367 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000422173540 309356672 /nfs/dbraw/zinc/35/66/72/309356672.db2.gz HIODGNXQJJTULR-HZPDHXFCSA-N 0 0 347.415 3.135 10 5 EGBERN Cc1c(Br)c(N2CC(CC(F)F)C2)ncc1[N+](=O)[O-] ZINC000425275559 309471003 /nfs/dbraw/zinc/47/10/03/309471003.db2.gz AUMAODGHMMKIQO-UHFFFAOYSA-N 0 0 336.136 3.152 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2[N+](=O)[O-])CC1 ZINC000424986199 309460989 /nfs/dbraw/zinc/46/09/89/309460989.db2.gz MVFPVKROCWCXBM-MRXNPFEDSA-N 0 0 329.400 3.113 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000426307826 309504028 /nfs/dbraw/zinc/50/40/28/309504028.db2.gz ATGOFROULHGSHW-SNVBAGLBSA-N 0 0 346.305 3.301 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000427339580 309527056 /nfs/dbraw/zinc/52/70/56/309527056.db2.gz WEYABTCGGZHGSX-HUUCEWRRSA-N 0 0 342.399 3.267 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC23CCCC3)cc1SC ZINC000430215459 309601948 /nfs/dbraw/zinc/60/19/48/309601948.db2.gz DXAWRWJNZPXODQ-AWEZNQCLSA-N 0 0 336.413 3.388 10 5 EGBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000432054311 309649967 /nfs/dbraw/zinc/64/99/67/309649967.db2.gz UAJHAEHNSOJXGK-AWEZNQCLSA-N 0 0 343.383 3.114 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000455083862 310343768 /nfs/dbraw/zinc/34/37/68/310343768.db2.gz MFZNSGXEVXONNS-USXIJHARSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000434760719 309719568 /nfs/dbraw/zinc/71/95/68/309719568.db2.gz XOTGMRILVSNWNA-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000435140551 309726411 /nfs/dbraw/zinc/72/64/11/309726411.db2.gz IWWOVNAZRZABCL-NVXWUHKLSA-N 0 0 343.383 3.351 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000436408815 309754843 /nfs/dbraw/zinc/75/48/43/309754843.db2.gz LJDVYXVSCQODRP-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000436469163 309756201 /nfs/dbraw/zinc/75/62/01/309756201.db2.gz NWQMURRONBGEJT-UHFFFAOYSA-N 0 0 345.309 3.125 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438456745 309814361 /nfs/dbraw/zinc/81/43/61/309814361.db2.gz DGWGEXZEEFRNMJ-WDEREUQCSA-N 0 0 345.321 3.397 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000438891206 309821959 /nfs/dbraw/zinc/82/19/59/309821959.db2.gz SMCJHRZGUFYMDH-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnc(N(C)C)c1 ZINC000438947009 309822964 /nfs/dbraw/zinc/82/29/64/309822964.db2.gz ZMCOWONPMQJMLH-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c2ccncc21 ZINC000439084831 309826012 /nfs/dbraw/zinc/82/60/12/309826012.db2.gz HOZBDNKZNGIZSU-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccnc1C ZINC000439234987 309828935 /nfs/dbraw/zinc/82/89/35/309828935.db2.gz KDCOGZXUHIKWRL-UHFFFAOYSA-N 0 0 331.397 3.443 10 5 EGBERN COC(=O)c1cc(NCCc2ccc(O)cc2)cc(C)c1[N+](=O)[O-] ZINC000440717910 309855175 /nfs/dbraw/zinc/85/51/75/309855175.db2.gz LSBJCASVYWJLFO-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442697052 309884751 /nfs/dbraw/zinc/88/47/51/309884751.db2.gz SXMNBMAJRYMDDA-SMDDNHRTSA-N 0 0 331.372 3.444 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442697050 309884765 /nfs/dbraw/zinc/88/47/65/309884765.db2.gz SXMNBMAJRYMDDA-FZMZJTMJSA-N 0 0 331.372 3.444 10 5 EGBERN CC(C)(C)Oc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000447669155 309985482 /nfs/dbraw/zinc/98/54/82/309985482.db2.gz FETZHWPXGGKBJQ-UHFFFAOYSA-N 0 0 341.371 3.077 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](c4ccc(F)cc4)C3)nc2c1 ZINC000447670880 309985484 /nfs/dbraw/zinc/98/54/84/309985484.db2.gz OFSQYAQONKGXPP-MRXNPFEDSA-N 0 0 342.330 3.188 10 5 EGBERN Cn1ccnc1[C@@H](NCCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449349799 310055958 /nfs/dbraw/zinc/05/59/58/310055958.db2.gz HZWVDUKFHRIJGV-AWEZNQCLSA-N 0 0 338.358 3.443 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@H]1CCCCO1 ZINC000450267228 310111958 /nfs/dbraw/zinc/11/19/58/310111958.db2.gz BOPLJSDQAVTQPF-CYBMUJFWSA-N 0 0 331.372 3.157 10 5 EGBERN CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])nc1 ZINC000450352172 310117332 /nfs/dbraw/zinc/11/73/32/310117332.db2.gz BCXUQGMYKOZQEZ-UHFFFAOYSA-N 0 0 328.372 3.072 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000450413579 310121076 /nfs/dbraw/zinc/12/10/76/310121076.db2.gz VBMODLSQCQORHD-VXGBXAGGSA-N 0 0 326.352 3.409 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC1=CCCCC1 ZINC000450903391 310148837 /nfs/dbraw/zinc/14/88/37/310148837.db2.gz LHTDXLWAFGACAE-UHFFFAOYSA-N 0 0 331.397 3.434 10 5 EGBERN Cc1cc(F)ccc1[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450907710 310149055 /nfs/dbraw/zinc/14/90/55/310149055.db2.gz GASXRZWTLANMJN-CQSZACIVSA-N 0 0 341.346 3.427 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257049 310168302 /nfs/dbraw/zinc/16/83/02/310168302.db2.gz FWTMDLBQVAOYKV-MDASCCDHSA-N 0 0 344.386 3.456 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnn3c2CCC3)cc1[N+](=O)[O-] ZINC000451747802 310195838 /nfs/dbraw/zinc/19/58/38/310195838.db2.gz HBVJSYGNKGOHHZ-UHFFFAOYSA-N 0 0 328.372 3.287 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000452363675 310224816 /nfs/dbraw/zinc/22/48/16/310224816.db2.gz CQSSPLIHHMDILR-JSGCOSHPSA-N 0 0 335.379 3.015 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]1C1CC1 ZINC000452504280 310230591 /nfs/dbraw/zinc/23/05/91/310230591.db2.gz UXFYAZOCHFXBIG-AWEZNQCLSA-N 0 0 329.381 3.343 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452590182 310233521 /nfs/dbraw/zinc/23/35/21/310233521.db2.gz OCGHUWPPJGYTJD-NUJGCVRESA-N 0 0 346.427 3.313 10 5 EGBERN CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000452777298 310241429 /nfs/dbraw/zinc/24/14/29/310241429.db2.gz QMPLYHYCZYFESB-INIZCTEOSA-N 0 0 334.397 3.256 10 5 EGBERN COC[C@@]1(C)CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000452795403 310242150 /nfs/dbraw/zinc/24/21/50/310242150.db2.gz ONYDTMIBYTZKDP-AWEZNQCLSA-N 0 0 346.305 3.112 10 5 EGBERN Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c2c1CCC2 ZINC000453126655 310259677 /nfs/dbraw/zinc/25/96/77/310259677.db2.gz AZMSPONPKSHKNF-UHFFFAOYSA-N 0 0 336.351 3.428 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C/[C@@H]3CCOC3)n2)c2c1NCCC2 ZINC000453229769 310265476 /nfs/dbraw/zinc/26/54/76/310265476.db2.gz CUEFSAHRNIJBLX-ZXCPCRMDSA-N 0 0 342.355 3.053 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)O1 ZINC000453230696 310265604 /nfs/dbraw/zinc/26/56/04/310265604.db2.gz DLYFBLZWUKFOBS-WMFXKJRFSA-N 0 0 344.371 3.489 10 5 EGBERN Cc1cc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)ns1 ZINC000453244155 310266269 /nfs/dbraw/zinc/26/62/69/310266269.db2.gz YLEGICWNBLQLKO-UHFFFAOYSA-N 0 0 343.368 3.435 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CCOC2)C1 ZINC000454218182 310297761 /nfs/dbraw/zinc/29/77/61/310297761.db2.gz PLVJLQOQTHCIHI-HNNXBMFYSA-N 0 0 339.779 3.283 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000454618952 310320284 /nfs/dbraw/zinc/32/02/84/310320284.db2.gz QUOLYLRXPWIGNT-AWEZNQCLSA-N 0 0 349.431 3.470 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000455180490 310349057 /nfs/dbraw/zinc/34/90/57/310349057.db2.gz INZQFRIKVUZSIZ-CJNGLKHVSA-N 0 0 335.404 3.476 10 5 EGBERN CC[C@@H](NC(=O)NCCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000455325642 310355890 /nfs/dbraw/zinc/35/58/90/310355890.db2.gz JOEXYLXAYGBVLB-CQSZACIVSA-N 0 0 348.428 3.353 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456094328 310388290 /nfs/dbraw/zinc/38/82/90/310388290.db2.gz HDKHUHDQVPOJRD-DJIMGWMZSA-N 0 0 332.400 3.059 10 5 EGBERN COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000456103042 310388649 /nfs/dbraw/zinc/38/86/49/310388649.db2.gz AUYPFOKLJKNNLK-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@@]12CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000456109687 310388845 /nfs/dbraw/zinc/38/88/45/310388845.db2.gz VTOLKPSGOZKWJY-YMXNGHFFSA-N 0 0 346.814 3.461 10 5 EGBERN O=C(C1CCC(=O)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456135062 310390019 /nfs/dbraw/zinc/39/00/19/310390019.db2.gz HDMIJAQRGHWONK-HNNXBMFYSA-N 0 0 330.384 3.060 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000456156059 310391029 /nfs/dbraw/zinc/39/10/29/310391029.db2.gz SJFRSJYYFNNNCA-RISCZKNCSA-N 0 0 340.807 3.429 10 5 EGBERN Cc1cc(=O)[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000456160470 310391170 /nfs/dbraw/zinc/39/11/70/310391170.db2.gz IBIIASPOMIZPOH-UHFFFAOYSA-N 0 0 330.344 3.076 10 5 EGBERN CCOc1ccc(C(=O)N2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC000456524520 310410225 /nfs/dbraw/zinc/41/02/25/310410225.db2.gz PLTLKUKIMLVCSV-UHFFFAOYSA-N 0 0 348.399 3.169 10 5 EGBERN CN1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000456590224 310413793 /nfs/dbraw/zinc/41/37/93/310413793.db2.gz FGSMCFYBEGHGPV-HNNXBMFYSA-N 0 0 325.368 3.296 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000457029569 310433205 /nfs/dbraw/zinc/43/32/05/310433205.db2.gz GJQDHOCLNKLXGV-HNNXBMFYSA-N 0 0 334.416 3.409 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1cc(F)cc(F)c1 ZINC000463402590 310612073 /nfs/dbraw/zinc/61/20/73/310612073.db2.gz YDMHDGQLIMBGDA-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000471586499 310739503 /nfs/dbraw/zinc/73/95/03/310739503.db2.gz CTTFROMWJQCQMM-KOLCDFICSA-N 0 0 331.294 3.077 10 5 EGBERN COc1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000473427520 310774886 /nfs/dbraw/zinc/77/48/86/310774886.db2.gz KBABBYDMTULSAE-JHJVBQTASA-N 0 0 335.404 3.179 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000474397425 310792504 /nfs/dbraw/zinc/79/25/04/310792504.db2.gz ZENYWNHFWZCTPW-OUAUKWLOSA-N 0 0 346.836 3.303 10 5 EGBERN COc1c(C(=O)NC[C@@H](C)c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000476095932 310822283 /nfs/dbraw/zinc/82/22/83/310822283.db2.gz JTIRNDUCRUKRGK-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN CCOC(=O)CCc1ccc(Nc2c([N+](=O)[O-])c(C)nn2CC)cc1 ZINC000480008980 310887814 /nfs/dbraw/zinc/88/78/14/310887814.db2.gz WWPFDYCPYRRWMA-UHFFFAOYSA-N 0 0 346.387 3.359 10 5 EGBERN CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000480284791 310892357 /nfs/dbraw/zinc/89/23/57/310892357.db2.gz AADWOFJDKTYJJT-AOOOYVTPSA-N 0 0 347.293 3.255 10 5 EGBERN COC(=O)[C@H](Cc1ccc(C)cc1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481571175 310916767 /nfs/dbraw/zinc/91/67/67/310916767.db2.gz FFXGFUJMSGEQLP-KDOFPFPSSA-N 0 0 342.395 3.338 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000487088501 311010458 /nfs/dbraw/zinc/01/04/58/311010458.db2.gz RKJAYNRXWACNQN-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN COc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000487107795 311011050 /nfs/dbraw/zinc/01/10/50/311011050.db2.gz JSUNKNZJPHDEGC-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)c1ccsc1 ZINC000487179524 311013854 /nfs/dbraw/zinc/01/38/54/311013854.db2.gz FLYZVVLSLCGTGU-NSHDSACASA-N 0 0 340.788 3.082 10 5 EGBERN CCOC(=O)C1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487722909 311035433 /nfs/dbraw/zinc/03/54/33/311035433.db2.gz SEVXDGKDSUHSHW-UHFFFAOYSA-N 0 0 343.383 3.099 10 5 EGBERN COc1cc(CNc2cc3c(cc2F)NC(=O)CC3)ccc1[N+](=O)[O-] ZINC000488162466 311053779 /nfs/dbraw/zinc/05/37/79/311053779.db2.gz CUPKIABBSRIGGO-UHFFFAOYSA-N 0 0 345.330 3.239 10 5 EGBERN Cn1cccc1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488342023 311061433 /nfs/dbraw/zinc/06/14/33/311061433.db2.gz WJCHDOXJCBAKPF-UHFFFAOYSA-N 0 0 329.356 3.052 10 5 EGBERN Cn1c(C(=O)Nc2ccc(Cl)c3ccncc23)ccc1[N+](=O)[O-] ZINC000490681469 311149050 /nfs/dbraw/zinc/14/90/50/311149050.db2.gz LTISTXPJSBQLFM-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN CCOC(=O)CN(Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC000492786978 311291061 /nfs/dbraw/zinc/29/10/61/311291061.db2.gz CJFXCEZBSAQITF-UHFFFAOYSA-N 0 0 338.404 3.157 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000494301973 311469233 /nfs/dbraw/zinc/46/92/33/311469233.db2.gz UJLGFJCNRBXWFO-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000494301530 311469236 /nfs/dbraw/zinc/46/92/36/311469236.db2.gz PLYGAEJITBQLGQ-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000497318129 311854966 /nfs/dbraw/zinc/85/49/66/311854966.db2.gz GTVJGCGGIZGQMC-GFCCVEGCSA-N 0 0 329.356 3.356 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@H]1CCCC[C@H]1C ZINC000497790082 311868999 /nfs/dbraw/zinc/86/89/99/311868999.db2.gz JETJHNQLRTXAIO-XNJGSVPQSA-N 0 0 332.400 3.468 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(O)c1 ZINC000506237586 312045210 /nfs/dbraw/zinc/04/52/10/312045210.db2.gz FHTIQVZBQWEBSC-UHFFFAOYSA-N 0 0 329.356 3.432 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)C2)C1 ZINC000508958509 312106414 /nfs/dbraw/zinc/10/64/14/312106414.db2.gz AHUVUEBMNPLMPZ-UGSOOPFHSA-N 0 0 341.415 3.407 10 5 EGBERN C[C@@H]1CCCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512198125 312178433 /nfs/dbraw/zinc/17/84/33/312178433.db2.gz RIKXVYOWFQEJIQ-LLVKDONJSA-N 0 0 325.796 3.451 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCCCC1 ZINC000514832424 312247794 /nfs/dbraw/zinc/24/77/94/312247794.db2.gz CIFFBTLGHCWXGQ-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN Cc1c(NCCC2(O)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000516785788 312342248 /nfs/dbraw/zinc/34/22/48/312342248.db2.gz WHCITMWTUSQZKF-UHFFFAOYSA-N 0 0 329.194 3.383 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000517035345 312360287 /nfs/dbraw/zinc/36/02/87/312360287.db2.gz GHDUUQABWVFPIN-FZMZJTMJSA-N 0 0 340.445 3.234 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(Cl)c1Cl ZINC000520152428 312493425 /nfs/dbraw/zinc/49/34/25/312493425.db2.gz CNADIEIXWAMZTF-UHFFFAOYSA-N 0 0 341.154 3.008 10 5 EGBERN CCc1cccc2c(CC(=O)NCc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000520257416 312498817 /nfs/dbraw/zinc/49/88/17/312498817.db2.gz IGYUWTWUJWPPPN-UHFFFAOYSA-N 0 0 337.379 3.497 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000521323449 312541279 /nfs/dbraw/zinc/54/12/79/312541279.db2.gz SEILVCAAFBOMFT-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337604 312655045 /nfs/dbraw/zinc/65/50/45/312655045.db2.gz DTFLZCLOGHIGOY-YVEFUNNKSA-N 0 0 325.368 3.328 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000525597464 312733464 /nfs/dbraw/zinc/73/34/64/312733464.db2.gz KUHVNGJGNUQKCK-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN C[C@@H]1C[C@H](C)N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000530426668 313534428 /nfs/dbraw/zinc/53/44/28/313534428.db2.gz PSTNPBLWKAPGQI-KNVOCYPGSA-N 0 0 339.200 3.073 10 5 EGBERN Cc1cc(N2CCO[C@@H](C3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000530542746 313552344 /nfs/dbraw/zinc/55/23/44/313552344.db2.gz IUGUHEKITLWXNH-CQSZACIVSA-N 0 0 341.205 3.281 10 5 EGBERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000531616181 313690506 /nfs/dbraw/zinc/69/05/06/313690506.db2.gz LYWKDUFXQTUDIK-ZDUSSCGKSA-N 0 0 348.399 3.179 10 5 EGBERN CC(C)c1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531629057 313693035 /nfs/dbraw/zinc/69/30/35/313693035.db2.gz QFBWUTMHIFXJHT-UHFFFAOYSA-N 0 0 327.384 3.476 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000532138147 313759276 /nfs/dbraw/zinc/75/92/76/313759276.db2.gz UXEHYXFGGILGPJ-OAHLLOKOSA-N 0 0 343.358 3.366 10 5 EGBERN O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532392423 313793368 /nfs/dbraw/zinc/79/33/68/313793368.db2.gz LIQIDOVPFYQKSC-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CNc1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000534216634 313960381 /nfs/dbraw/zinc/96/03/81/313960381.db2.gz ZLXIUVMZGXKXGN-UHFFFAOYSA-N 0 0 327.331 3.144 10 5 EGBERN O=C(C/C=C\c1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000534733205 313996692 /nfs/dbraw/zinc/99/66/92/313996692.db2.gz WNMDMLPBHCBENH-UTCJRWHESA-N 0 0 328.343 3.496 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000535377571 314043010 /nfs/dbraw/zinc/04/30/10/314043010.db2.gz QHLADHDFGLZUTN-HNNXBMFYSA-N 0 0 338.379 3.430 10 5 EGBERN CC[C@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C1CC1 ZINC000536506905 314118974 /nfs/dbraw/zinc/11/89/74/314118974.db2.gz FPVXNVHCSDQLLE-JTQLQIEISA-N 0 0 329.360 3.287 10 5 EGBERN CCOC(=O)CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696249 314138940 /nfs/dbraw/zinc/13/89/40/314138940.db2.gz YHHHDJWCCJKHET-CLFYSBASSA-N 0 0 332.400 3.416 10 5 EGBERN CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537149772 314164019 /nfs/dbraw/zinc/16/40/19/314164019.db2.gz KFAVXVMSSKXAPA-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539335295 314307148 /nfs/dbraw/zinc/30/71/48/314307148.db2.gz FOONVQDIRPFMLV-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN O=C(CC/C=C/c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539780241 314336528 /nfs/dbraw/zinc/33/65/28/314336528.db2.gz GWZBDRBKJFJHEW-XBXARRHUSA-N 0 0 337.379 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)cc1C ZINC000541188554 314440455 /nfs/dbraw/zinc/44/04/55/314440455.db2.gz CCAMKCLRWZXUBF-ZDUSSCGKSA-N 0 0 346.408 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccncc1C(F)(F)F ZINC000547738854 314932371 /nfs/dbraw/zinc/93/23/71/314932371.db2.gz SLLUQXFHCILABG-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000548887039 315059528 /nfs/dbraw/zinc/05/95/28/315059528.db2.gz RXYQPUQMDHKOTM-UHFFFAOYSA-N 0 0 333.310 3.025 10 5 EGBERN COc1cc(Cc2noc([C@]3(C)C[C@H]4C[C@H]4C3)n2)ccc1[N+](=O)[O-] ZINC000551026234 315140291 /nfs/dbraw/zinc/14/02/91/315140291.db2.gz GXZODRZMURJJMR-DPIQGUFMSA-N 0 0 329.356 3.265 10 5 EGBERN CCn1cc(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000551670790 315163095 /nfs/dbraw/zinc/16/30/95/315163095.db2.gz ZTBOELHVJTWJGF-UHFFFAOYSA-N 0 0 330.388 3.290 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553079303 315243955 /nfs/dbraw/zinc/24/39/55/315243955.db2.gz JBPSWGSCBCRVGA-HIFRSBDPSA-N 0 0 341.367 3.128 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000553445149 315264282 /nfs/dbraw/zinc/26/42/82/315264282.db2.gz HMWWYFPFVAEHIG-CYBMUJFWSA-N 0 0 335.404 3.490 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000554555459 315331920 /nfs/dbraw/zinc/33/19/20/315331920.db2.gz KPRZUNFAXHESMZ-GFCCVEGCSA-N 0 0 331.759 3.273 10 5 EGBERN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000554696795 315343159 /nfs/dbraw/zinc/34/31/59/315343159.db2.gz CNYRDGYHKJBBLA-SJKOYZFVSA-N 0 0 343.358 3.335 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cn1 ZINC000555963437 315410412 /nfs/dbraw/zinc/41/04/12/315410412.db2.gz MPPGXINXTWXYRJ-LBPRGKRZSA-N 0 0 327.262 3.154 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccccc1O ZINC000556019448 315412067 /nfs/dbraw/zinc/41/20/67/315412067.db2.gz UYSLNPANAXZUCE-UHFFFAOYSA-N 0 0 334.759 3.235 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000557033263 315492432 /nfs/dbraw/zinc/49/24/32/315492432.db2.gz BBFYZVZCUIURNS-YUMQZZPRSA-N 0 0 327.178 3.289 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000561493835 315766203 /nfs/dbraw/zinc/76/62/03/315766203.db2.gz DOXTYZBISXAILU-IRXDYDNUSA-N 0 0 339.395 3.335 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000563426414 316019534 /nfs/dbraw/zinc/01/95/34/316019534.db2.gz LTOAJWMLWSOWMA-KDOFPFPSSA-N 0 0 346.358 3.321 10 5 EGBERN CC(C)c1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ncn1 ZINC000564060757 316107871 /nfs/dbraw/zinc/10/78/71/316107871.db2.gz DPXHUVRBODUPJY-UHFFFAOYSA-N 0 0 325.372 3.066 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C)n1 ZINC000564280940 316130853 /nfs/dbraw/zinc/13/08/53/316130853.db2.gz BSCJCXZFGKQCFX-UHFFFAOYSA-N 0 0 330.344 3.019 10 5 EGBERN COc1cc(CSc2nc(C(F)F)cc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000564392202 316145562 /nfs/dbraw/zinc/14/55/62/316145562.db2.gz VIUMLEBKCSZHIY-UHFFFAOYSA-N 0 0 343.311 3.329 10 5 EGBERN CCC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000565037836 316253389 /nfs/dbraw/zinc/25/33/89/316253389.db2.gz DSHVPBWEJWEBKX-UHFFFAOYSA-N 0 0 335.404 3.135 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000565226419 316295165 /nfs/dbraw/zinc/29/51/65/316295165.db2.gz KYBPJKSMUGUUTJ-RDTXWAMCSA-N 0 0 328.368 3.182 10 5 EGBERN CC1(C2CC2)CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000568820112 316825716 /nfs/dbraw/zinc/82/57/16/316825716.db2.gz MARXCWMWGDFXDE-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN CO[C@H](C)c1cccc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569231967 316885731 /nfs/dbraw/zinc/88/57/31/316885731.db2.gz BSXNFOTVGXCREE-CXAGYDPISA-N 0 0 346.383 3.154 10 5 EGBERN CCN(Cc1ccccc1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000570538349 317071416 /nfs/dbraw/zinc/07/14/16/317071416.db2.gz BVFKNMIXOWTQIT-UHFFFAOYSA-N 0 0 329.356 3.111 10 5 EGBERN CC(C)(C(=O)NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000570714458 317097260 /nfs/dbraw/zinc/09/72/60/317097260.db2.gz INKFXDWRMOQXHX-UHFFFAOYSA-N 0 0 326.343 3.410 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571398833 317193964 /nfs/dbraw/zinc/19/39/64/317193964.db2.gz AMGBTYXUIKXUSG-SMDDNHRTSA-N 0 0 335.404 3.102 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CCN(CC(F)(F)F)CC1 ZINC000571728414 317237160 /nfs/dbraw/zinc/23/71/60/317237160.db2.gz GOMGFQRTWIDWLT-SNVBAGLBSA-N 0 0 332.326 3.065 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2ccc(C(C)=O)cc2C)c1[N+](=O)[O-] ZINC000572536992 317353476 /nfs/dbraw/zinc/35/34/76/317353476.db2.gz NVUCRWZAXUXSKU-UHFFFAOYSA-N 0 0 344.323 3.388 10 5 EGBERN Cc1nn(C)c(C)c1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000572597616 317362840 /nfs/dbraw/zinc/36/28/40/317362840.db2.gz MBZFRTHCYBCKBZ-UHFFFAOYSA-N 0 0 343.431 3.264 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@H](c2ccccc2C)C1 ZINC000574822151 317640185 /nfs/dbraw/zinc/64/01/85/317640185.db2.gz CJBNUFJYWQRJJJ-QGZVFWFLSA-N 0 0 328.368 3.490 10 5 EGBERN COC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000171318573 323229845 /nfs/dbraw/zinc/22/98/45/323229845.db2.gz IMRDRUFYBNIIMC-OAHLLOKOSA-N 0 0 346.408 3.434 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC/C=C/c1ccccc1 ZINC000179427618 323387620 /nfs/dbraw/zinc/38/76/20/323387620.db2.gz MEAQZSGTKUTNIK-QPJJXVBHSA-N 0 0 335.363 3.448 10 5 EGBERN CC(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000182272742 323538850 /nfs/dbraw/zinc/53/88/50/323538850.db2.gz UFNRNZWEPHVNGJ-UHFFFAOYSA-N 0 0 348.742 3.468 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185750166 323711591 /nfs/dbraw/zinc/71/15/91/323711591.db2.gz NMKSXLFXMPOYKE-LLVKDONJSA-N 0 0 334.351 3.329 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)c3ccccc32)n1 ZINC000191708501 323809234 /nfs/dbraw/zinc/80/92/34/323809234.db2.gz FNVINLNMRRAFSG-GFCCVEGCSA-N 0 0 328.372 3.355 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CCC(C)(C)C)C1=O ZINC000349281518 324005219 /nfs/dbraw/zinc/00/52/19/324005219.db2.gz VNGUCIKOLHARMZ-FZMZJTMJSA-N 0 0 333.388 3.403 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cnc4ccccc4c3)no2)n1 ZINC000349958776 324048770 /nfs/dbraw/zinc/04/87/70/324048770.db2.gz QPDXIBLXJMLBJJ-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN COc1cc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c([N+](=O)[O-])cc1F ZINC000351112459 324172479 /nfs/dbraw/zinc/17/24/79/324172479.db2.gz SLGDPYNFRXICNM-IUCAKERBSA-N 0 0 337.307 3.075 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCOCc2ccccc2)c1 ZINC000383788093 324257266 /nfs/dbraw/zinc/25/72/66/324257266.db2.gz URIORXHCQLMSIT-UHFFFAOYSA-N 0 0 344.367 3.034 10 5 EGBERN C[C@H](CCOCc1ccccc1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000390369979 324282044 /nfs/dbraw/zinc/28/20/44/324282044.db2.gz VKBYYFKDIAOFKC-CYBMUJFWSA-N 0 0 340.383 3.300 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1C ZINC000576860001 324695352 /nfs/dbraw/zinc/69/53/52/324695352.db2.gz QZSXWGFSWJPMHC-UHFFFAOYSA-N 0 0 340.383 3.004 10 5 EGBERN COC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000578202811 324934652 /nfs/dbraw/zinc/93/46/52/324934652.db2.gz MKTCZOVPYPWZSI-SJKOYZFVSA-N 0 0 346.358 3.341 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCOC(C)(C)C1 ZINC000291368913 456621094 /nfs/dbraw/zinc/62/10/94/456621094.db2.gz BIZXJIJCNLOXHB-NSHDSACASA-N 0 0 326.418 3.384 10 5 EGBERN COC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000579052818 325054661 /nfs/dbraw/zinc/05/46/61/325054661.db2.gz JIDJKLHVSPZICU-UHFFFAOYSA-N 0 0 345.399 3.084 10 5 EGBERN CC[C@@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000579957034 325182985 /nfs/dbraw/zinc/18/29/85/325182985.db2.gz WJHMKBMNALKGQS-CQSZACIVSA-N 0 0 335.404 3.278 10 5 EGBERN CCn1c(SCc2conc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000580962806 325315147 /nfs/dbraw/zinc/31/51/47/325315147.db2.gz IKFYMYHUHIPEAS-UHFFFAOYSA-N 0 0 345.384 3.462 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccccc1N1CCOCC1 ZINC000581498562 325366332 /nfs/dbraw/zinc/36/63/32/325366332.db2.gz CDALYRXNEMAJMU-UHFFFAOYSA-N 0 0 343.383 3.052 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000582145432 325417436 /nfs/dbraw/zinc/41/74/36/325417436.db2.gz HJTZAVQLTQLKDO-GMTAPVOTSA-N 0 0 326.343 3.356 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000173261663 455256026 /nfs/dbraw/zinc/25/60/26/455256026.db2.gz XYJAIVZRKAFGCD-LBPRGKRZSA-N 0 0 340.383 3.173 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000190068088 455276963 /nfs/dbraw/zinc/27/69/63/455276963.db2.gz JMTIEYMVGMBTQV-MRXNPFEDSA-N 0 0 342.395 3.224 10 5 EGBERN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] ZINC000000355573 452569767 /nfs/dbraw/zinc/56/97/67/452569767.db2.gz FASGLXSTRSSQTR-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN O=C1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 ZINC000000424059 452587223 /nfs/dbraw/zinc/58/72/23/452587223.db2.gz OHCMIBQMLXSORM-INIZCTEOSA-N 0 0 344.348 3.102 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183582280 455308321 /nfs/dbraw/zinc/30/83/21/455308321.db2.gz XOTYIHZOTFLDJV-UHFFFAOYSA-N 0 0 326.312 3.366 10 5 EGBERN O=c1c2ccccc2nc2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nn21 ZINC000005152281 452840681 /nfs/dbraw/zinc/84/06/81/452840681.db2.gz KEIZMKJWGWMDSY-YOEHRIQHSA-N 0 0 334.423 3.402 10 5 EGBERN Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000005709927 452897129 /nfs/dbraw/zinc/89/71/29/452897129.db2.gz LUOSOYUCYCHZKU-GFCCVEGCSA-N 0 0 342.351 3.222 10 5 EGBERN CC(=O)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000006601990 452958996 /nfs/dbraw/zinc/95/89/96/452958996.db2.gz YXPCXBQTLUTROK-INIZCTEOSA-N 0 0 341.367 3.109 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000007541301 453085859 /nfs/dbraw/zinc/08/58/59/453085859.db2.gz CYOOMFFDGGMSLK-QGZVFWFLSA-N 0 0 342.351 3.002 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCCO1 ZINC000612273643 460581148 /nfs/dbraw/zinc/58/11/48/460581148.db2.gz BMESLUIDZLLPAN-LLVKDONJSA-N 0 0 344.820 3.026 10 5 EGBERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000007981040 453143846 /nfs/dbraw/zinc/14/38/46/453143846.db2.gz DFFIMJBQJUZGJA-VIFPVBQESA-N 0 0 326.399 3.233 10 5 EGBERN Cc1nn(CC(=O)c2cccc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000008986617 453239854 /nfs/dbraw/zinc/23/98/54/453239854.db2.gz FAXQFSDBKVTCCW-UHFFFAOYSA-N 0 0 338.161 3.054 10 5 EGBERN Cc1c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600772962 460596998 /nfs/dbraw/zinc/59/69/98/460596998.db2.gz LIQOKOCQYRGCFN-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN O=[N+]([O-])c1ccccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000018061495 453641994 /nfs/dbraw/zinc/64/19/94/453641994.db2.gz UULQUWPCRLXDTI-UHFFFAOYSA-N 0 0 327.384 3.039 10 5 EGBERN COC(=O)c1cc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)oc1C ZINC000024862464 453749734 /nfs/dbraw/zinc/74/97/34/453749734.db2.gz NVLQCVLNNODCAW-NSHDSACASA-N 0 0 332.356 3.476 10 5 EGBERN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000026929399 453808647 /nfs/dbraw/zinc/80/86/47/453808647.db2.gz UOMAZQFKJGTYLG-KRWDZBQOSA-N 0 0 325.368 3.198 10 5 EGBERN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)ccc2o1 ZINC000029480340 453829092 /nfs/dbraw/zinc/82/90/92/453829092.db2.gz OVYLEGRJLSVPOM-UHFFFAOYSA-N 0 0 340.339 3.363 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000053552807 453887421 /nfs/dbraw/zinc/88/74/21/453887421.db2.gz HGEIVRJULBMAHF-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000053582963 453889455 /nfs/dbraw/zinc/88/94/55/453889455.db2.gz VPNXNSGGGPBPJL-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000075512362 453899461 /nfs/dbraw/zinc/89/94/61/453899461.db2.gz UAHKANBIYNJJCY-ZBEGNZNMSA-N 0 0 339.351 3.442 10 5 EGBERN CCCCCNC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175066 453915432 /nfs/dbraw/zinc/91/54/32/453915432.db2.gz SAYZKJFJDOUBNT-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN Cc1cccc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1[N+](=O)[O-] ZINC000041789374 453978443 /nfs/dbraw/zinc/97/84/43/453978443.db2.gz AUWCIMIKOQFQHC-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000067980300 453986337 /nfs/dbraw/zinc/98/63/37/453986337.db2.gz LKRYLPCZBDNRKW-CQSZACIVSA-N 0 0 336.706 3.330 10 5 EGBERN C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000055466051 453987173 /nfs/dbraw/zinc/98/71/73/453987173.db2.gz PMWXBOJKXMNKLK-QFYYESIMSA-N 0 0 346.770 3.429 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000068167882 454003730 /nfs/dbraw/zinc/00/37/30/454003730.db2.gz ISLHKTYNNHVKQT-LLVKDONJSA-N 0 0 336.344 3.357 10 5 EGBERN CNc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000055683959 454006493 /nfs/dbraw/zinc/00/64/93/454006493.db2.gz FZLGKOINKIESTK-AWEZNQCLSA-N 0 0 329.331 3.193 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(Br)c1 ZINC000042354716 454008087 /nfs/dbraw/zinc/00/80/87/454008087.db2.gz FZMSPGOJVLKWIN-MRVPVSSYSA-N 0 0 338.161 3.176 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000077003739 454059825 /nfs/dbraw/zinc/05/98/25/454059825.db2.gz KYMFZJKWEPSARG-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN COc1cc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000087086475 454061896 /nfs/dbraw/zinc/06/18/96/454061896.db2.gz UHOCLFFVZUVDAY-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN CCN(CC)C(=O)CCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087378043 454081217 /nfs/dbraw/zinc/08/12/17/454081217.db2.gz BOKHKBJHVHKGGB-ZDUSSCGKSA-N 0 0 336.388 3.156 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077294707 454087320 /nfs/dbraw/zinc/08/73/20/454087320.db2.gz PYFIMQSDEIOVLH-OAHLLOKOSA-N 0 0 330.315 3.214 10 5 EGBERN COc1ccc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000088226849 454093619 /nfs/dbraw/zinc/09/36/19/454093619.db2.gz DBGPLSOEHBHCLN-UHFFFAOYSA-N 0 0 333.319 3.183 10 5 EGBERN Cc1c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]c1-c1ccncc1 ZINC000069512071 454114930 /nfs/dbraw/zinc/11/49/30/454114930.db2.gz VMAWRHXYLZERFG-VOTSOKGWSA-N 0 0 349.350 3.340 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000088716853 454117249 /nfs/dbraw/zinc/11/72/49/454117249.db2.gz CLWBAUXESSIBNQ-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCCc2c(C)nn(C)c2C)c1 ZINC000089264952 454130944 /nfs/dbraw/zinc/13/09/44/454130944.db2.gz KWBGVNMUSOSKFI-UHFFFAOYSA-N 0 0 336.367 3.138 10 5 EGBERN COC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000045145445 454141703 /nfs/dbraw/zinc/14/17/03/454141703.db2.gz FMFAEMRIYZZUOW-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN Cc1nnc([C@@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000057840339 454150942 /nfs/dbraw/zinc/15/09/42/454150942.db2.gz VQNCSCILRWCPHC-HNNXBMFYSA-N 0 0 327.319 3.362 10 5 EGBERN O=c1ncccn1Cc1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000058166300 454166926 /nfs/dbraw/zinc/16/69/26/454166926.db2.gz QTVBNADLTFPXGS-UHFFFAOYSA-N 0 0 340.314 3.083 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000070937999 454187881 /nfs/dbraw/zinc/18/78/81/454187881.db2.gz ZRESOIXSDBYFGU-VIFPVBQESA-N 0 0 333.344 3.089 10 5 EGBERN NC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000058377495 454194872 /nfs/dbraw/zinc/19/48/72/454194872.db2.gz NWDUYLHTQFOOFP-UHFFFAOYSA-N 0 0 340.257 3.292 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089835466 454212470 /nfs/dbraw/zinc/21/24/70/454212470.db2.gz SEYPOLPOTNYXPN-QZTJIDSGSA-N 0 0 340.379 3.066 10 5 EGBERN O=c1[nH]c(Cc2ccc3c(c2)OCO3)nc2cc3ccccc3cc21 ZINC000119786480 454219635 /nfs/dbraw/zinc/21/96/35/454219635.db2.gz YUVKXPWBWDNGOZ-UHFFFAOYSA-N 0 0 330.343 3.396 10 5 EGBERN Cc1cc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000089885667 454225881 /nfs/dbraw/zinc/22/58/81/454225881.db2.gz JCEXWWUQENSNFY-UHFFFAOYSA-N 0 0 328.328 3.178 10 5 EGBERN COC(=O)c1cc(NC[C@@H](CCO)CC(C)C)cc(C)c1[N+](=O)[O-] ZINC000130995814 454230463 /nfs/dbraw/zinc/23/04/63/454230463.db2.gz UZFVIGQUTCDVHW-ZDUSSCGKSA-N 0 0 338.404 3.146 10 5 EGBERN O=C(c1cc(N2C[C@@H]3CC=CC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000078372267 454242280 /nfs/dbraw/zinc/24/22/80/454242280.db2.gz CSTLBVIQCNHLBL-GJZGRUSLSA-N 0 0 341.411 3.233 10 5 EGBERN CC(C)c1ccsc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095997300 454258314 /nfs/dbraw/zinc/25/83/14/454258314.db2.gz SZQSIUOCXOIYDB-GFCCVEGCSA-N 0 0 345.424 3.462 10 5 EGBERN CS(=O)(=O)CCc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000120170492 454267975 /nfs/dbraw/zinc/26/79/75/454267975.db2.gz AMGOYNFZXYYWMK-UHFFFAOYSA-N 0 0 338.360 3.065 10 5 EGBERN C[C@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@@](C)=O ZINC000090113072 454281741 /nfs/dbraw/zinc/28/17/41/454281741.db2.gz HWTJXCZTWXHCIN-SPSFWMDKSA-N 0 0 333.413 3.226 10 5 EGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@@](C)=O ZINC000090113071 454281909 /nfs/dbraw/zinc/28/19/09/454281909.db2.gz HWTJXCZTWXHCIN-MYODQAERSA-N 0 0 333.413 3.226 10 5 EGBERN O=C1CCCN1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000120358510 454290888 /nfs/dbraw/zinc/29/08/88/454290888.db2.gz YPWJODROIKBGJB-UHFFFAOYSA-N 0 0 332.187 3.326 10 5 EGBERN Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000120472774 454306860 /nfs/dbraw/zinc/30/68/60/454306860.db2.gz AOZHNLPWPZSYLA-NSHDSACASA-N 0 0 349.774 3.035 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000061436271 454339819 /nfs/dbraw/zinc/33/98/19/454339819.db2.gz YKAGXFPKKDHTLE-UHFFFAOYSA-N 0 0 327.384 3.014 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC(c4ccccn4)CC3)c21 ZINC000612451832 460632860 /nfs/dbraw/zinc/63/28/60/460632860.db2.gz QVTGVFDEMPKXOT-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(F)c(F)c1 ZINC000048244917 454462105 /nfs/dbraw/zinc/46/21/05/454462105.db2.gz YRHVKQYHLQCADW-ZETCQYMHSA-N 0 0 339.273 3.085 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCSC1CCCC1 ZINC000048274298 454466137 /nfs/dbraw/zinc/46/61/37/454466137.db2.gz HUYVLZQNQKKXJD-UHFFFAOYSA-N 0 0 339.417 3.401 10 5 EGBERN CC(C)COC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273882 454466431 /nfs/dbraw/zinc/46/64/31/454466431.db2.gz DHVRDBCQYPRSQD-UHFFFAOYSA-N 0 0 332.404 3.039 10 5 EGBERN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242511 454469339 /nfs/dbraw/zinc/46/93/39/454469339.db2.gz VRBPAXANKCDFDV-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN CC(=O)Nc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000079753929 454473810 /nfs/dbraw/zinc/47/38/10/454473810.db2.gz GFRACUJSMJYJFC-UHFFFAOYSA-N 0 0 341.367 3.218 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(F)cc1 ZINC000103376665 454551164 /nfs/dbraw/zinc/55/11/64/454551164.db2.gz HYOIBJXCMLTTSN-NSHDSACASA-N 0 0 330.315 3.091 10 5 EGBERN O=C1Nc2ccccc2[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 ZINC000103359519 454551552 /nfs/dbraw/zinc/55/15/52/454551552.db2.gz MAAPOBWPTYWEIF-ICSRJNTNSA-N 0 0 349.390 3.400 10 5 EGBERN COc1cc(OC)cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377478 454551969 /nfs/dbraw/zinc/55/19/69/454551969.db2.gz YOJDXWOOTFRGON-LLVKDONJSA-N 0 0 342.351 3.203 10 5 EGBERN CCOc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000092614133 454594754 /nfs/dbraw/zinc/59/47/54/454594754.db2.gz LUSFLHQAYYUAJJ-UHFFFAOYSA-N 0 0 340.379 3.281 10 5 EGBERN Cc1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000134851405 454598073 /nfs/dbraw/zinc/59/80/73/454598073.db2.gz IRRCYAAICHPGGZ-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cccc(C[S@](C)=O)c2)c1 ZINC000092654859 454601634 /nfs/dbraw/zinc/60/16/34/454601634.db2.gz YUYGOLLBUATFSX-HSZRJFAPSA-N 0 0 338.360 3.365 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134881964 454602303 /nfs/dbraw/zinc/60/23/03/454602303.db2.gz AAJVYJVWIAEQAC-MLGOLLRUSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1cccc(NC2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000074763750 454631382 /nfs/dbraw/zinc/63/13/82/454631382.db2.gz FTTPHZMYVUBCSX-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN Cc1cc(N[C@@H](Cc2nccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074768148 454632339 /nfs/dbraw/zinc/63/23/39/454632339.db2.gz WQTOQYORAGHAHG-HNNXBMFYSA-N 0 0 337.383 3.428 10 5 EGBERN CCCOc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1OC ZINC000051956589 454642035 /nfs/dbraw/zinc/64/20/35/454642035.db2.gz HEZQKYDHPQNCPW-UHFFFAOYSA-N 0 0 334.376 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2c(F)cccc2Br)c1=O ZINC000092856758 454646769 /nfs/dbraw/zinc/64/67/69/454646769.db2.gz LFNHKPINSTWTOG-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1cc(=O)n(Cc2c(F)cccc2Br)cc1[N+](=O)[O-] ZINC000092856686 454647153 /nfs/dbraw/zinc/64/71/53/454647153.db2.gz JMOBECGMKYYHFH-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN C[C@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333646 454685700 /nfs/dbraw/zinc/68/57/00/454685700.db2.gz IGOMJVNFRUFCTK-SECBINFHSA-N 0 0 344.389 3.177 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000106600570 454704919 /nfs/dbraw/zinc/70/49/19/454704919.db2.gz IVRJPBDSDLSULY-GJZGRUSLSA-N 0 0 342.351 3.354 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000176193520 454709543 /nfs/dbraw/zinc/70/95/43/454709543.db2.gz KIGSPZUXPOQUNF-QGZVFWFLSA-N 0 0 342.399 3.291 10 5 EGBERN CC(C)CCSc1ccc(C(=O)NCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000136051424 454717639 /nfs/dbraw/zinc/71/76/39/454717639.db2.gz SCUGHEVZLRBABP-GFCCVEGCSA-N 0 0 340.445 3.234 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000152901914 454738901 /nfs/dbraw/zinc/73/89/01/454738901.db2.gz OJBNQTYBZCYSTJ-MRXNPFEDSA-N 0 0 345.355 3.410 10 5 EGBERN CN(c1ccc2ccccc2n1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000153190858 454768478 /nfs/dbraw/zinc/76/84/78/454768478.db2.gz ZHHNWRBFTVYDIL-UHFFFAOYSA-N 0 0 349.393 3.030 10 5 EGBERN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000137176553 454771124 /nfs/dbraw/zinc/77/11/24/454771124.db2.gz CIWIXDPZKDPFLU-YFKPBYRVSA-N 0 0 347.133 3.255 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000176696913 454773033 /nfs/dbraw/zinc/77/30/33/454773033.db2.gz OAZCVWOFROGFPV-QGZVFWFLSA-N 0 0 342.399 3.325 10 5 EGBERN Cc1nnc([C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604720 454787331 /nfs/dbraw/zinc/78/73/31/454787331.db2.gz GPSPDLLJGSVHSL-SJKOYZFVSA-N 0 0 337.383 3.462 10 5 EGBERN CCCO[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000108322014 454793162 /nfs/dbraw/zinc/79/31/62/454793162.db2.gz OTXBDDWDYOEJCS-AWEZNQCLSA-N 0 0 345.399 3.497 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1cnn(-c2ccccc2)c1 ZINC000153553769 454805924 /nfs/dbraw/zinc/80/59/24/454805924.db2.gz AZROKQZBSFTBOJ-UHFFFAOYSA-N 0 0 343.774 3.484 10 5 EGBERN CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125441508 454821920 /nfs/dbraw/zinc/82/19/20/454821920.db2.gz ABRSEISYAVIGQS-RYUDHWBXSA-N 0 0 326.418 3.379 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000153705870 454822998 /nfs/dbraw/zinc/82/29/98/454822998.db2.gz IPDVJECFRQPMPO-HNNXBMFYSA-N 0 0 329.356 3.412 10 5 EGBERN CSCCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125727105 454842210 /nfs/dbraw/zinc/84/22/10/454842210.db2.gz NEMHWXHZYHRRGH-UHFFFAOYSA-N 0 0 346.836 3.277 10 5 EGBERN Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(-c2cccnc2)n1 ZINC000154134356 454868587 /nfs/dbraw/zinc/86/85/87/454868587.db2.gz JFMAQNJJENZAQP-UHFFFAOYSA-N 0 0 347.378 3.318 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150789536 454893144 /nfs/dbraw/zinc/89/31/44/454893144.db2.gz LAFNBQQYMJSNFV-HZPDHXFCSA-N 0 0 332.400 3.405 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Cl)s2)n1 ZINC000191526588 455494431 /nfs/dbraw/zinc/49/44/31/455494431.db2.gz DFSDXHZBKZRPKQ-SSDOTTSWSA-N 0 0 328.781 3.017 10 5 EGBERN Cc1c(Br)c(NC[C@H]2CCCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000165777805 454903770 /nfs/dbraw/zinc/90/37/70/454903770.db2.gz LHIRWJWPPQJRBK-MWLCHTKSSA-N 0 0 344.209 3.024 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177785438 454905318 /nfs/dbraw/zinc/90/53/18/454905318.db2.gz HHSUMUZNZPOHDN-WBVHZDCISA-N 0 0 326.352 3.166 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)o2)c1 ZINC000126708132 454913163 /nfs/dbraw/zinc/91/31/63/454913163.db2.gz UMEVVPGKMRRROE-MZBDJJRSSA-N 0 0 328.368 3.343 10 5 EGBERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1 ZINC000113206365 454916878 /nfs/dbraw/zinc/91/68/78/454916878.db2.gz ZJLCWUAOZMSOAF-SNVBAGLBSA-N 0 0 335.385 3.227 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888656 454937552 /nfs/dbraw/zinc/93/75/52/454937552.db2.gz AADSWXWPPDSLMM-YXMGTMDOSA-N 0 0 326.356 3.085 10 5 EGBERN CC1(C)[C@H](C(F)(F)F)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000170606560 454940554 /nfs/dbraw/zinc/94/05/54/454940554.db2.gz BNITUNQLSUXQDF-SECBINFHSA-N 0 0 328.294 3.410 10 5 EGBERN CC[C@@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671920 454967579 /nfs/dbraw/zinc/96/75/79/454967579.db2.gz MFDRZKBLCQWPEE-HZPDHXFCSA-N 0 0 331.347 3.001 10 5 EGBERN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000151337165 454970453 /nfs/dbraw/zinc/97/04/53/454970453.db2.gz ZALGULNZVGNSJM-SFHVURJKSA-N 0 0 340.379 3.425 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000151548402 454999839 /nfs/dbraw/zinc/99/98/39/454999839.db2.gz AOUCDAXUNFOBDA-LLVKDONJSA-N 0 0 330.381 3.077 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000191625127 455504887 /nfs/dbraw/zinc/50/48/87/455504887.db2.gz LNFMAILKTOHRTO-ZIAGYGMSSA-N 0 0 342.399 3.138 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000170947747 455004451 /nfs/dbraw/zinc/00/44/51/455004451.db2.gz PYABJIFZDLOYHM-DLBZAZTESA-N 0 0 326.352 3.023 10 5 EGBERN CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115230399 455006622 /nfs/dbraw/zinc/00/66/22/455006622.db2.gz ZMQXCERZMDEQLX-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000128281514 455042094 /nfs/dbraw/zinc/04/20/94/455042094.db2.gz INIOGAVSBYNPPX-CYBMUJFWSA-N 0 0 346.387 3.160 10 5 EGBERN C[C@@H](C(=O)N1CC2(C1)CC(F)(F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000612556234 460659455 /nfs/dbraw/zinc/65/94/55/460659455.db2.gz UYOIJQRZBLKUBF-SECBINFHSA-N 0 0 328.290 3.095 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000152070559 455069336 /nfs/dbraw/zinc/06/93/36/455069336.db2.gz VDCQCGRKYBKWHJ-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN O=C(N[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000171683082 455086060 /nfs/dbraw/zinc/08/60/60/455086060.db2.gz NLBSDUXPTIVJQF-ZDUSSCGKSA-N 0 0 342.351 3.296 10 5 EGBERN Cc1sc(C(=O)NC2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000156708948 455146083 /nfs/dbraw/zinc/14/60/83/455146083.db2.gz UPEBVNJWIJOUME-UHFFFAOYSA-N 0 0 326.418 3.431 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156841671 455152836 /nfs/dbraw/zinc/15/28/36/455152836.db2.gz OIGURZMMVIEARZ-LBPRGKRZSA-N 0 0 343.387 3.127 10 5 EGBERN COC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000172765708 455184173 /nfs/dbraw/zinc/18/41/73/455184173.db2.gz ASURJUPBJLWLCM-MRXNPFEDSA-N 0 0 341.367 3.279 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000180605087 455206935 /nfs/dbraw/zinc/20/69/35/455206935.db2.gz FYRGUFXQYBYPLZ-OAHLLOKOSA-N 0 0 329.360 3.385 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000183620706 455313607 /nfs/dbraw/zinc/31/36/07/455313607.db2.gz HKXZXFIDAMYFDZ-HNNXBMFYSA-N 0 0 339.395 3.336 10 5 EGBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173935928 455342680 /nfs/dbraw/zinc/34/26/80/455342680.db2.gz ZONQNJXSTTYHIP-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc2NC1=O ZINC000174184664 455368699 /nfs/dbraw/zinc/36/86/99/455368699.db2.gz IAIMOJSFFFQMBR-NSHDSACASA-N 0 0 329.331 3.329 10 5 EGBERN O=C(N[C@H]1CCOC2(CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000159334911 455370437 /nfs/dbraw/zinc/37/04/37/455370437.db2.gz XOGVWMFFFPVJKP-LBPRGKRZSA-N 0 0 343.383 3.298 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cc([N+](=O)[O-])ccc1C)n2C ZINC000184473243 455386314 /nfs/dbraw/zinc/38/63/14/455386314.db2.gz GRMRXJHHQFQOAJ-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000174519516 455399982 /nfs/dbraw/zinc/39/99/82/455399982.db2.gz JQGRPQRIWASVOX-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)CC3)cc1[N+](=O)[O-] ZINC000181963408 455406247 /nfs/dbraw/zinc/40/62/47/455406247.db2.gz VUCRVHURLIOAGH-UHFFFAOYSA-N 0 0 341.367 3.238 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000174596175 455406430 /nfs/dbraw/zinc/40/64/30/455406430.db2.gz BQLXVQDHCCELFQ-ZDUSSCGKSA-N 0 0 345.399 3.083 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000174652422 455409804 /nfs/dbraw/zinc/40/98/04/455409804.db2.gz INRQZZIMHRMXKR-JXQTWKCFSA-N 0 0 336.388 3.388 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(O)c1 ZINC000182208655 455461573 /nfs/dbraw/zinc/46/15/73/455461573.db2.gz FCHMXVRTMBTEFS-UHFFFAOYSA-N 0 0 328.368 3.280 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000175729125 455488976 /nfs/dbraw/zinc/48/89/76/455488976.db2.gz GKMUVOPEPKAHPW-CJNGLKHVSA-N 0 0 325.368 3.316 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000191497660 455491297 /nfs/dbraw/zinc/49/12/97/455491297.db2.gz HFHJWMOOEGOIJR-NSHDSACASA-N 0 0 342.355 3.391 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000191685366 455510353 /nfs/dbraw/zinc/51/03/53/455510353.db2.gz BRGSTAZXVVRBRM-INIZCTEOSA-N 0 0 342.399 3.255 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000191685514 455510441 /nfs/dbraw/zinc/51/04/41/455510441.db2.gz XEWWMUJNUOIKMH-SMDDNHRTSA-N 0 0 328.372 3.180 10 5 EGBERN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000612616016 460679933 /nfs/dbraw/zinc/67/99/33/460679933.db2.gz NPZRDEKEQWPPBL-AWEZNQCLSA-N 0 0 339.367 3.451 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185773707 455619189 /nfs/dbraw/zinc/61/91/89/455619189.db2.gz SMHZCJBRHIAUKI-ZYHUDNBSSA-N 0 0 332.360 3.087 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192641306 455659836 /nfs/dbraw/zinc/65/98/36/455659836.db2.gz IWVDYCYFQAVTBA-AWEZNQCLSA-N 0 0 326.352 3.465 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(OCC2CC2)cn1 ZINC000284487604 455695013 /nfs/dbraw/zinc/69/50/13/455695013.db2.gz ZKBQEZORMZVOSM-UHFFFAOYSA-N 0 0 342.355 3.043 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@H](CC(C)C)N(C)C2=O)cc1[N+](=O)[O-] ZINC000292594488 455708001 /nfs/dbraw/zinc/70/80/01/455708001.db2.gz WGLXHWWCPLUJMG-WFASDCNBSA-N 0 0 333.388 3.273 10 5 EGBERN C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000278063416 455748560 /nfs/dbraw/zinc/74/85/60/455748560.db2.gz NIZOSAXXTZBZCA-QWHCGFSZSA-N 0 0 336.391 3.391 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1nc(CC2CC2)no1 ZINC000601062755 460694195 /nfs/dbraw/zinc/69/41/95/460694195.db2.gz YOVVIRISDISPDM-UHFFFAOYSA-N 0 0 335.385 3.372 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000278731690 455846242 /nfs/dbraw/zinc/84/62/42/455846242.db2.gz WGBVGINPSKXCLS-MLGOLLRUSA-N 0 0 336.391 3.248 10 5 EGBERN C[C@H](CCO)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295572306 455853585 /nfs/dbraw/zinc/85/35/85/455853585.db2.gz NQTNHRXETVQWNT-ZDUSSCGKSA-N 0 0 338.407 3.232 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cn1 ZINC000194737827 455878568 /nfs/dbraw/zinc/87/85/68/455878568.db2.gz IMLWZQXFIBUVDZ-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN Cn1nccc1C1=CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000285632530 455886430 /nfs/dbraw/zinc/88/64/30/455886430.db2.gz NXEXHVJKYDHJSJ-UHFFFAOYSA-N 0 0 332.791 3.271 10 5 EGBERN CO[C@H](C)c1noc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345549 455921352 /nfs/dbraw/zinc/92/13/52/455921352.db2.gz PLRRJUSYWGNOAI-NWDGAFQWSA-N 0 0 334.376 3.187 10 5 EGBERN Cc1cccnc1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000296464853 455945457 /nfs/dbraw/zinc/94/54/57/455945457.db2.gz PSLRAUAOZPPHBP-UHFFFAOYSA-N 0 0 327.384 3.394 10 5 EGBERN NC(=O)c1coc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000187892314 455966119 /nfs/dbraw/zinc/96/61/19/455966119.db2.gz BIOHBALOITVBOM-UHFFFAOYSA-N 0 0 345.358 3.010 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C2CCCC2)n1 ZINC000272534333 455984867 /nfs/dbraw/zinc/98/48/67/455984867.db2.gz ZLJLIPUBERJLGV-UHFFFAOYSA-N 0 0 346.362 3.052 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cncc(F)c2)CC1 ZINC000270839056 456050730 /nfs/dbraw/zinc/05/07/30/456050730.db2.gz DTWZAGSAHJVMKR-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000296853507 456053009 /nfs/dbraw/zinc/05/30/09/456053009.db2.gz IVJVEIQDYZXUSG-WDEREUQCSA-N 0 0 345.321 3.196 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280807488 456055769 /nfs/dbraw/zinc/05/57/69/456055769.db2.gz WNTSKVAMYPPKAS-HNNXBMFYSA-N 0 0 328.368 3.376 10 5 EGBERN Cc1cccc(NC2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)n1 ZINC000301261534 456074042 /nfs/dbraw/zinc/07/40/42/456074042.db2.gz FNAQPYWTSVOTMT-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN C[C@H]1CCCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000301277411 456080168 /nfs/dbraw/zinc/08/01/68/456080168.db2.gz WWJZQFAMXKGPSW-ZDUSSCGKSA-N 0 0 327.388 3.233 10 5 EGBERN O=C1[C@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000301282061 456080588 /nfs/dbraw/zinc/08/05/88/456080588.db2.gz MXZYOHDALIFQEE-OAHLLOKOSA-N 0 0 329.331 3.341 10 5 EGBERN Cc1ccnc(NCCc2csc(N3CCCC3)n2)c1[N+](=O)[O-] ZINC000301425185 456112724 /nfs/dbraw/zinc/11/27/24/456112724.db2.gz OTTUDZHJFFYJDU-UHFFFAOYSA-N 0 0 333.417 3.010 10 5 EGBERN CO[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC000601103184 460711119 /nfs/dbraw/zinc/71/11/19/460711119.db2.gz OENRJYSKXJQGGG-SNVBAGLBSA-N 0 0 344.293 3.147 10 5 EGBERN Cc1ccc([C@@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1F ZINC000301590328 456154125 /nfs/dbraw/zinc/15/41/25/456154125.db2.gz CVPPQTRIYIDGFQ-LLVKDONJSA-N 0 0 342.330 3.223 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccnn2C)c1 ZINC000281175513 456155055 /nfs/dbraw/zinc/15/50/55/456155055.db2.gz YFOQCNWBEHJFJF-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN COc1cc(N2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000301614881 456162639 /nfs/dbraw/zinc/16/26/39/456162639.db2.gz BABOUOHGLHVVNF-GOSISDBHSA-N 0 0 346.358 3.495 10 5 EGBERN CCOC(=O)[C@@]1(C)CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301734936 456200483 /nfs/dbraw/zinc/20/04/83/456200483.db2.gz AUMVKIZYUFYRPZ-HNNXBMFYSA-N 0 0 326.780 3.336 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301754455 456206888 /nfs/dbraw/zinc/20/68/88/456206888.db2.gz WVAVDHBKNLXYOV-MEBBXXQBSA-N 0 0 333.775 3.472 10 5 EGBERN CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301799486 456218214 /nfs/dbraw/zinc/21/82/14/456218214.db2.gz ZVEGOHBIZFWGRR-CQSZACIVSA-N 0 0 346.305 3.393 10 5 EGBERN C[C@H]1C(=O)NCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189097256 456226121 /nfs/dbraw/zinc/22/61/21/456226121.db2.gz CGZCAPJMYUFVLM-LBPRGKRZSA-N 0 0 345.424 3.034 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(C(F)(F)F)cc3)nn21 ZINC000301933253 456253307 /nfs/dbraw/zinc/25/33/07/456253307.db2.gz PSORIGXUGOYXIA-UHFFFAOYSA-N 0 0 337.261 3.268 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[C@@]34CCCc3ccccc34)nn21 ZINC000301968212 456260351 /nfs/dbraw/zinc/26/03/51/456260351.db2.gz PHGFWKPAKYYSGY-KUHUBIRLSA-N 0 0 349.394 3.344 10 5 EGBERN O=C(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)NCc1ccco1 ZINC000302037979 456272938 /nfs/dbraw/zinc/27/29/38/456272938.db2.gz QDIYCPZFGGMHPH-UHFFFAOYSA-N 0 0 344.154 3.223 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000290278344 456279482 /nfs/dbraw/zinc/27/94/82/456279482.db2.gz WWLOLJQPTVCEGL-VXGBXAGGSA-N 0 0 334.376 3.235 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)c1 ZINC000302132552 456295588 /nfs/dbraw/zinc/29/55/88/456295588.db2.gz HCQYJNXRFZRYAQ-AWEZNQCLSA-N 0 0 337.383 3.248 10 5 EGBERN COc1ccc([C@H](OC)[C@H](C)Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601136223 460726088 /nfs/dbraw/zinc/72/60/88/460726088.db2.gz AZGSRYXKWPTKLK-ZUZCIYMTSA-N 0 0 335.335 3.326 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000342907695 456305658 /nfs/dbraw/zinc/30/56/58/456305658.db2.gz QKPYMHUIMJUGHJ-SECBINFHSA-N 0 0 330.369 3.332 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2O)nc1OCc1ccccc1 ZINC000302179177 456308200 /nfs/dbraw/zinc/30/82/00/456308200.db2.gz PUYHZEPMCHNVSH-GOEBONIOSA-N 0 0 343.383 3.142 10 5 EGBERN O=[N+]([O-])c1cnc(Sc2nnc(Nc3ccccc3)s2)nc1 ZINC000302175735 456308500 /nfs/dbraw/zinc/30/85/00/456308500.db2.gz XACIXNAQNYDWQU-UHFFFAOYSA-N 0 0 332.370 3.131 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930063 456319565 /nfs/dbraw/zinc/31/95/65/456319565.db2.gz DGIHMUQQGRCLSE-MLGOLLRUSA-N 0 0 345.399 3.137 10 5 EGBERN C[C@@H]1C[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281801456 456324383 /nfs/dbraw/zinc/32/43/83/456324383.db2.gz IIRYHTICYAWQJE-ILWJIGKKSA-N 0 0 344.209 3.368 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1cccc(CCCO)c1 ZINC000601139618 460728277 /nfs/dbraw/zinc/72/82/77/460728277.db2.gz KEDGRRKISOQHDT-UHFFFAOYSA-N 0 0 344.293 3.016 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(c4ccsc4)CC3)nn21 ZINC000302351211 456336167 /nfs/dbraw/zinc/33/61/67/456336167.db2.gz BAPYLXXASYAMAR-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN C[C@H](Nc1ncccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000302556961 456358778 /nfs/dbraw/zinc/35/87/78/456358778.db2.gz LTTUIPGXKGZLGT-JTQLQIEISA-N 0 0 332.326 3.065 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000352869558 456377544 /nfs/dbraw/zinc/37/75/44/456377544.db2.gz MFJWBZGEEPJIMZ-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302720771 456383024 /nfs/dbraw/zinc/38/30/24/456383024.db2.gz ZUVDRGBARPJRJP-GFCCVEGCSA-N 0 0 339.823 3.442 10 5 EGBERN Nc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccnc1-c1ccccc1 ZINC000343078878 456392439 /nfs/dbraw/zinc/39/24/39/456392439.db2.gz NDZOMJKPBKDNHK-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN COC(=O)[C@@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302798165 456403970 /nfs/dbraw/zinc/40/39/70/456403970.db2.gz AXMNZAIPVWHBIA-ZYHUDNBSSA-N 0 0 326.780 3.192 10 5 EGBERN CCCNC(=O)c1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302821905 456410346 /nfs/dbraw/zinc/41/03/46/456410346.db2.gz RLYTVKIFNHGEKC-UHFFFAOYSA-N 0 0 331.347 3.486 10 5 EGBERN Cc1ccc([C@@H](CNc2cc(F)ccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000302859986 456419210 /nfs/dbraw/zinc/41/92/10/456419210.db2.gz ONQMALNVEKVNHC-MRXNPFEDSA-N 0 0 349.362 3.121 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340393536 456434587 /nfs/dbraw/zinc/43/45/87/456434587.db2.gz KQGJHKODBKTCCP-QGZVFWFLSA-N 0 0 341.367 3.270 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000340524797 456510890 /nfs/dbraw/zinc/51/08/90/456510890.db2.gz BMMVLMYWLPXJNF-JTQLQIEISA-N 0 0 337.426 3.329 10 5 EGBERN Cc1nn(C)c(Nc2cnn(CC(C)C)c2C(F)F)c1[N+](=O)[O-] ZINC000340569065 456535838 /nfs/dbraw/zinc/53/58/38/456535838.db2.gz ABACOGDOUCGLBD-UHFFFAOYSA-N 0 0 328.323 3.170 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](CCO)CC(C)C ZINC000276654478 456542960 /nfs/dbraw/zinc/54/29/60/456542960.db2.gz XCXSHVWSIYHDTB-GFCCVEGCSA-N 0 0 342.823 3.331 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000298796620 456543149 /nfs/dbraw/zinc/54/31/49/456543149.db2.gz CDRVFNRRJSOQBA-LLVKDONJSA-N 0 0 346.305 3.165 10 5 EGBERN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000340679603 456619625 /nfs/dbraw/zinc/61/96/25/456619625.db2.gz NRKTUXYOLXYIOE-SFHVURJKSA-N 0 0 344.342 3.058 10 5 EGBERN Cc1nc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2o1 ZINC000348323282 456623327 /nfs/dbraw/zinc/62/33/27/456623327.db2.gz HRHHGZJCKOTJHM-UHFFFAOYSA-N 0 0 348.318 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2noc(C3CC3)n2)cc1C(F)(F)F ZINC000343458700 456635498 /nfs/dbraw/zinc/63/54/98/456635498.db2.gz IBQAIRDSWCBFFK-UHFFFAOYSA-N 0 0 328.250 3.486 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000291477864 456655431 /nfs/dbraw/zinc/65/54/31/456655431.db2.gz RIBZJNNENQFHAY-ZDUSSCGKSA-N 0 0 345.321 3.122 10 5 EGBERN COc1ncccc1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000348408501 456671252 /nfs/dbraw/zinc/67/12/52/456671252.db2.gz MFNARMXOGMOIEI-UHFFFAOYSA-N 0 0 327.296 3.021 10 5 EGBERN CC(=O)NCCN(Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000283159178 456724356 /nfs/dbraw/zinc/72/43/56/456724356.db2.gz YBMLKGKERBRYAR-UHFFFAOYSA-N 0 0 347.440 3.103 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000340901310 456750004 /nfs/dbraw/zinc/75/00/04/456750004.db2.gz OWUWBXHHGLAYIX-NWDGAFQWSA-N 0 0 339.355 3.452 10 5 EGBERN CCCc1cnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000343817302 456775237 /nfs/dbraw/zinc/77/52/37/456775237.db2.gz GFWZBFOZSFDAET-UHFFFAOYSA-N 0 0 341.339 3.463 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277320454 456777273 /nfs/dbraw/zinc/77/72/73/456777273.db2.gz DERSSOVRCDXJGS-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000277335299 456783225 /nfs/dbraw/zinc/78/32/25/456783225.db2.gz FCPAJMRSFCKRNU-KCJUWKMLSA-N 0 0 347.293 3.160 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000344049893 456792501 /nfs/dbraw/zinc/79/25/01/456792501.db2.gz PHADCZKJEUJOCC-UHFFFAOYSA-N 0 0 345.403 3.491 10 5 EGBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c2nccc(C)c2c1 ZINC000344200909 456806805 /nfs/dbraw/zinc/80/68/05/456806805.db2.gz QHQBFJQSTSMDRY-UHFFFAOYSA-N 0 0 336.351 3.431 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2ccccc21 ZINC000301182798 456816424 /nfs/dbraw/zinc/81/64/24/456816424.db2.gz NWCJURSVPCGEOA-LLVKDONJSA-N 0 0 329.331 3.124 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301202547 456821120 /nfs/dbraw/zinc/82/11/20/456821120.db2.gz QTMWPCSZXKMXGE-AWEZNQCLSA-N 0 0 341.367 3.072 10 5 EGBERN CCN(C[C@H]1CCCO1)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301230451 456827658 /nfs/dbraw/zinc/82/76/58/456827658.db2.gz JCKJAJQBGZKLAJ-MRXNPFEDSA-N 0 0 342.399 3.366 10 5 EGBERN COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)c1O ZINC000345030986 456903072 /nfs/dbraw/zinc/90/30/72/456903072.db2.gz YMQJNLXSVDTWOL-UHFFFAOYSA-N 0 0 348.742 3.165 10 5 EGBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ns1 ZINC000341721746 456914847 /nfs/dbraw/zinc/91/48/47/456914847.db2.gz NJZVYMSQQJZSHK-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cnc(CCN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000339077801 456929926 /nfs/dbraw/zinc/92/99/26/456929926.db2.gz YCKXMSSXEQWWIY-UHFFFAOYSA-N 0 0 347.440 3.338 10 5 EGBERN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000339126970 456953085 /nfs/dbraw/zinc/95/30/85/456953085.db2.gz OGOYJKJZGUXKNP-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc(CC2CC2)nc1 ZINC000341821092 456958371 /nfs/dbraw/zinc/95/83/71/456958371.db2.gz CSTBTDXWCMZCSD-UHFFFAOYSA-N 0 0 346.774 3.172 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000339181729 456980405 /nfs/dbraw/zinc/98/04/05/456980405.db2.gz CXKDJOZFPDHHTK-KRWDZBQOSA-N 0 0 340.379 3.476 10 5 EGBERN Cn1cc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000349542431 456984357 /nfs/dbraw/zinc/98/43/57/456984357.db2.gz MFMBDYMDIJVJKV-UHFFFAOYSA-N 0 0 342.399 3.305 10 5 EGBERN O=C(NCc1cccc(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358892961 457027360 /nfs/dbraw/zinc/02/73/60/457027360.db2.gz BKKRVAFPBCACGG-UHFFFAOYSA-N 0 0 340.257 3.265 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000341968617 457031786 /nfs/dbraw/zinc/03/17/86/457031786.db2.gz MLTGQTYRAOUFLW-NSHDSACASA-N 0 0 346.770 3.178 10 5 EGBERN CSCc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000356583215 457067863 /nfs/dbraw/zinc/06/78/63/457067863.db2.gz FGRWKOVRFNMSLX-UHFFFAOYSA-N 0 0 331.397 3.091 10 5 EGBERN Cc1c(CNC(=O)N2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000359543687 457094531 /nfs/dbraw/zinc/09/45/31/457094531.db2.gz NKWRJNRBCNJTMI-SFHVURJKSA-N 0 0 347.415 3.005 10 5 EGBERN CSc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1 ZINC000362832436 457114659 /nfs/dbraw/zinc/11/46/59/457114659.db2.gz ZBQVHBMEQGUARD-UHFFFAOYSA-N 0 0 339.323 3.171 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000356729053 457137513 /nfs/dbraw/zinc/13/75/13/457137513.db2.gz FMUBUADMCOHMPA-SFHVURJKSA-N 0 0 347.415 3.280 10 5 EGBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359906931 457141035 /nfs/dbraw/zinc/14/10/35/457141035.db2.gz FZFJANOPBBMXNA-UHFFFAOYSA-N 0 0 345.380 3.042 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]1C ZINC000356753918 457150667 /nfs/dbraw/zinc/15/06/67/457150667.db2.gz ZLRGCJLHLRIGAN-MADCSZMMSA-N 0 0 327.178 3.194 10 5 EGBERN CCOc1cccc(NCc2c3c(nn2C)CCCC3)c1[N+](=O)[O-] ZINC000359967396 457176416 /nfs/dbraw/zinc/17/64/16/457176416.db2.gz HDADAZUOKYZCFC-UHFFFAOYSA-N 0 0 330.388 3.218 10 5 EGBERN COC(=O)c1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000342288092 457214526 /nfs/dbraw/zinc/21/45/26/457214526.db2.gz YPSAMBPNGJTHRR-LLVKDONJSA-N 0 0 332.331 3.371 10 5 EGBERN C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1[N+](=O)[O-] ZINC000342293839 457217601 /nfs/dbraw/zinc/21/76/01/457217601.db2.gz GIVPSZKTRZBDGO-CYBMUJFWSA-N 0 0 338.367 3.419 10 5 EGBERN CCNc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000354494659 457256683 /nfs/dbraw/zinc/25/66/83/457256683.db2.gz KGOPZFQFQQPFAN-UHFFFAOYSA-N 0 0 349.337 3.277 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C/[C@H]4CCCO4)n3)c2c1 ZINC000351360408 457266358 /nfs/dbraw/zinc/26/63/58/457266358.db2.gz UGHMNZUILCKTCV-DIECRNLCSA-N 0 0 340.339 3.242 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2oc3ccccc3c2C)n1 ZINC000342412765 457289591 /nfs/dbraw/zinc/28/95/91/457289591.db2.gz QZQKTYSNRGFODM-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000342428377 457298906 /nfs/dbraw/zinc/29/89/06/457298906.db2.gz JFSHJHLOMWHNHL-GTNSWQLSSA-N 0 0 342.351 3.246 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)c(F)c(F)c1 ZINC000342445452 457307705 /nfs/dbraw/zinc/30/77/05/457307705.db2.gz WWIXNIDDLXYHBH-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354694375 457311022 /nfs/dbraw/zinc/31/10/22/457311022.db2.gz ALFHNZYJQUVRPM-RDBSUJKOSA-N 0 0 329.400 3.443 10 5 EGBERN Cc1ccc(-c2nnc(COc3ncc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000357163952 457353922 /nfs/dbraw/zinc/35/39/22/457353922.db2.gz DFWIPZFPJAAASG-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(N(C)C)c(F)c2)no1 ZINC000357221252 457380716 /nfs/dbraw/zinc/38/07/16/457380716.db2.gz OWNAQWRYBNPLON-UHFFFAOYSA-N 0 0 343.318 3.220 10 5 EGBERN CCSc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cn1 ZINC000357326621 457447269 /nfs/dbraw/zinc/44/72/69/457447269.db2.gz GULKTBRXILGCRP-UHFFFAOYSA-N 0 0 343.368 3.138 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000360997143 457498474 /nfs/dbraw/zinc/49/84/74/457498474.db2.gz SAVMEJPJLBNBHR-BXKDBHETSA-N 0 0 331.294 3.101 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCc2ccccc21 ZINC000404739582 457547076 /nfs/dbraw/zinc/54/70/76/457547076.db2.gz OBPRJLRWSAQUNA-NSHDSACASA-N 0 0 343.358 3.118 10 5 EGBERN CCc1noc(COc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)n1 ZINC000361066368 457559961 /nfs/dbraw/zinc/55/99/61/457559961.db2.gz OALNBFBFLHXOTQ-UHFFFAOYSA-N 0 0 342.311 3.307 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ccncn3)C2)c2ccncc21 ZINC000364364378 457580758 /nfs/dbraw/zinc/58/07/58/457580758.db2.gz UXFFFPCBJUTLOW-CYBMUJFWSA-N 0 0 335.367 3.317 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357529727 457582567 /nfs/dbraw/zinc/58/25/67/457582567.db2.gz MJYRTRJHVLYAAU-NSHDSACASA-N 0 0 326.356 3.244 10 5 EGBERN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1C(N)=O ZINC000357582586 457605598 /nfs/dbraw/zinc/60/55/98/457605598.db2.gz LQTICRZOQQXORV-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN COc1c(C(=O)N2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000356448543 457631309 /nfs/dbraw/zinc/63/13/09/457631309.db2.gz RLNANZPREIGSPW-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CCCCCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361195542 457641533 /nfs/dbraw/zinc/64/15/33/457641533.db2.gz JWWMAFVQIWVQKU-UHFFFAOYSA-N 0 0 331.376 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN3c3nccs3)n2)cc1 ZINC000364604359 457655760 /nfs/dbraw/zinc/65/57/60/457655760.db2.gz IUMLUMLOXPYKEK-GFCCVEGCSA-N 0 0 343.368 3.443 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374714282 457692813 /nfs/dbraw/zinc/69/28/13/457692813.db2.gz XJVREWDCKPBHEG-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCOCC1 ZINC000370664351 457694686 /nfs/dbraw/zinc/69/46/86/457694686.db2.gz FLMLZHADLTXSDR-LLVKDONJSA-N 0 0 326.780 3.023 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374725983 457695208 /nfs/dbraw/zinc/69/52/08/457695208.db2.gz LMOFZJQPOHZWLY-AWEZNQCLSA-N 0 0 326.356 3.086 10 5 EGBERN COc1cccc(-c2nc(-c3ncsc3Cl)no2)c1[N+](=O)[O-] ZINC000361360115 457705878 /nfs/dbraw/zinc/70/58/78/457705878.db2.gz LQZZPCKDOLRLHC-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000426079485 457771142 /nfs/dbraw/zinc/77/11/42/457771142.db2.gz MZQZJHDEXUFQNM-UHFFFAOYSA-N 0 0 337.282 3.203 10 5 EGBERN C[C@@H]1CSc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000371101985 457789003 /nfs/dbraw/zinc/78/90/03/457789003.db2.gz VDRHMAVDUUMWMY-NSHDSACASA-N 0 0 329.381 3.378 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1F ZINC000426297325 457803251 /nfs/dbraw/zinc/80/32/51/457803251.db2.gz YXTCGTXWLLVMKY-GFCCVEGCSA-N 0 0 338.379 3.085 10 5 EGBERN CCC[C@@]1(C)CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443776986 457810281 /nfs/dbraw/zinc/81/02/81/457810281.db2.gz DYFKOCHYMVVCAN-INIZCTEOSA-N 0 0 340.445 3.327 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000443972458 457831476 /nfs/dbraw/zinc/83/14/76/457831476.db2.gz XXWMAHJMUVCFLZ-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000426888370 457923164 /nfs/dbraw/zinc/92/31/64/457923164.db2.gz GSXNUEXMDRMUFX-UHFFFAOYSA-N 0 0 328.368 3.438 10 5 EGBERN CCn1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000444858500 457989320 /nfs/dbraw/zinc/98/93/20/457989320.db2.gz LJCJADBDUOLLDL-UHFFFAOYSA-N 0 0 332.363 3.150 10 5 EGBERN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC(C)(C)C1 ZINC000411891438 458003952 /nfs/dbraw/zinc/00/39/52/458003952.db2.gz HAQRLWIPQDGRJQ-UHFFFAOYSA-N 0 0 347.415 3.187 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000427601503 458006669 /nfs/dbraw/zinc/00/66/69/458006669.db2.gz LIOOLJBKBUIVAE-PIGZYNQJSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1ncsc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445183537 458023477 /nfs/dbraw/zinc/02/34/77/458023477.db2.gz DFGNXHQSKYGWEY-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN Cc1ccccc1Cc1nc(COc2ccc([N+](=O)[O-])cc2)no1 ZINC000434796026 458052032 /nfs/dbraw/zinc/05/20/32/458052032.db2.gz OYHJHLXULMJDOF-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744651 458057833 /nfs/dbraw/zinc/05/78/33/458057833.db2.gz ATOJSXYAVMDPPF-IEBWSBKVSA-N 0 0 326.396 3.426 10 5 EGBERN CN(CCOc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427990672 458062861 /nfs/dbraw/zinc/06/28/61/458062861.db2.gz IYVYPNZGCJUIDZ-UHFFFAOYSA-N 0 0 330.319 3.125 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCc2ccc(F)c(F)c2C1 ZINC000434942882 458068713 /nfs/dbraw/zinc/06/87/13/458068713.db2.gz MCTFOVDNDJZXNF-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN O=C(Nc1nc2cc(F)ccc2[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428049332 458072548 /nfs/dbraw/zinc/07/25/48/458072548.db2.gz NKHGNBSPPQACBJ-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN CCSc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000445756768 458084976 /nfs/dbraw/zinc/08/49/76/458084976.db2.gz FQPHDKROYDGWAU-UHFFFAOYSA-N 0 0 331.357 3.157 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000358636996 458121460 /nfs/dbraw/zinc/12/14/60/458121460.db2.gz MBSVUKZBEHBTDU-GFCCVEGCSA-N 0 0 330.388 3.343 10 5 EGBERN CC(C)Oc1cc(C(=O)NCCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000412204775 458127783 /nfs/dbraw/zinc/12/77/83/458127783.db2.gz XGLKKQMROWVSRY-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(c1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000376002672 458158940 /nfs/dbraw/zinc/15/89/40/458158940.db2.gz DSOQRDBMYBEHIC-BFQNTYOBSA-N 0 0 340.807 3.411 10 5 EGBERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372010612 458159523 /nfs/dbraw/zinc/15/95/23/458159523.db2.gz PMKFKTSXYMWKIF-WCQYABFASA-N 0 0 329.331 3.147 10 5 EGBERN Cc1cccnc1CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412375419 458184676 /nfs/dbraw/zinc/18/46/76/458184676.db2.gz GNIQLGBJDMQMNC-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC000428670996 458188501 /nfs/dbraw/zinc/18/85/01/458188501.db2.gz UEMHBSNULAQKGB-OAHLLOKOSA-N 0 0 340.383 3.304 10 5 EGBERN COc1cccc(C(=O)N(C)Cc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000435967401 458230776 /nfs/dbraw/zinc/23/07/76/458230776.db2.gz NXXQFOSAJIMNIF-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CSc1c(F)cccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000436048758 458242676 /nfs/dbraw/zinc/24/26/76/458242676.db2.gz KRVCKTNPIMQXRR-UHFFFAOYSA-N 0 0 347.371 3.049 10 5 EGBERN CC[C@@H](NC(=O)N1CCOCC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376304657 458262787 /nfs/dbraw/zinc/26/27/87/458262787.db2.gz OQYQFPAKDOSBMI-MRXNPFEDSA-N 0 0 347.415 3.258 10 5 EGBERN Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(-c2ccccn2)n1 ZINC000447198520 458273989 /nfs/dbraw/zinc/27/39/89/458273989.db2.gz HSDVAZXJMAFJND-UHFFFAOYSA-N 0 0 347.378 3.318 10 5 EGBERN COCCCCN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000416337025 458342144 /nfs/dbraw/zinc/34/21/44/458342144.db2.gz BWXSQFDXEICEIP-UHFFFAOYSA-N 0 0 338.407 3.180 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)n1 ZINC000376841780 458404236 /nfs/dbraw/zinc/40/42/36/458404236.db2.gz JPTMHWODSWWJTR-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](c2nc[nH]n2)c2ccccc2)c2ccncc21 ZINC000376926836 458422825 /nfs/dbraw/zinc/42/28/25/458422825.db2.gz LCGWYQDENMTYGO-KRWDZBQOSA-N 0 0 346.350 3.463 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000430214510 458423432 /nfs/dbraw/zinc/42/34/32/458423432.db2.gz ZRHVEYOTAYTAJP-MRXNPFEDSA-N 0 0 332.404 3.214 10 5 EGBERN CCOc1cc(C(=O)N[C@H]2CC23CCCC3)c([N+](=O)[O-])cc1OC ZINC000430244637 458427848 /nfs/dbraw/zinc/42/78/48/458427848.db2.gz QFNGFYMEWUVPIP-HNNXBMFYSA-N 0 0 334.372 3.065 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437370647 458448731 /nfs/dbraw/zinc/44/87/31/458448731.db2.gz IBFHFWWCHLQBSM-SWLSCSKDSA-N 0 0 349.749 3.377 10 5 EGBERN COc1ccc(OCc2cncn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437628323 458476473 /nfs/dbraw/zinc/47/64/73/458476473.db2.gz VZJQXYBMOCLPLB-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN CC1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000431484445 458579000 /nfs/dbraw/zinc/57/90/00/458579000.db2.gz MCWHDTYMPXZURC-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CC(C)(C)C(C)(C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000431600397 458594814 /nfs/dbraw/zinc/59/48/14/458594814.db2.gz ANENDGJCPPJDRL-UHFFFAOYSA-N 0 0 328.434 3.087 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000462498621 458626527 /nfs/dbraw/zinc/62/65/27/458626527.db2.gz BUJVFEYUMTXXKN-KGLIPLIRSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000438943579 458632547 /nfs/dbraw/zinc/63/25/47/458632547.db2.gz BWQHSMDUOMCYLQ-WDEREUQCSA-N 0 0 326.780 3.102 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000439160817 458664214 /nfs/dbraw/zinc/66/42/14/458664214.db2.gz VQERPKCKUGTKCS-GOEBONIOSA-N 0 0 332.400 3.359 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470955572 458669331 /nfs/dbraw/zinc/66/93/31/458669331.db2.gz MKMNEQMIGVCRGV-PWSUYJOCSA-N 0 0 345.321 3.114 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439257102 458677275 /nfs/dbraw/zinc/67/72/75/458677275.db2.gz CTRIFPSHVXKJJR-JKSUJKDBSA-N 0 0 332.400 3.046 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339143 458720085 /nfs/dbraw/zinc/72/00/85/458720085.db2.gz ZIDITBGBQCWIPD-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN COCc1nc(COc2ccc([N+](=O)[O-])c3ncccc23)cs1 ZINC000471875047 458745939 /nfs/dbraw/zinc/74/59/39/458745939.db2.gz HRHGVZWYUIJVNC-UHFFFAOYSA-N 0 0 331.353 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nc2c(cccc2Cl)n1C ZINC000464347510 458746891 /nfs/dbraw/zinc/74/68/91/458746891.db2.gz ZPTBIBHQKNCBBD-UHFFFAOYSA-N 0 0 330.775 3.477 10 5 EGBERN C[C@@H]1C[C@@H](C)N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000530426669 458766798 /nfs/dbraw/zinc/76/67/98/458766798.db2.gz PSTNPBLWKAPGQI-RNFRBKRXSA-N 0 0 339.200 3.073 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000456869945 458807258 /nfs/dbraw/zinc/80/72/58/458807258.db2.gz NTZRNQWOMLEZBB-ONGXEEELSA-N 0 0 328.290 3.390 10 5 EGBERN C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000473520921 458832768 /nfs/dbraw/zinc/83/27/68/458832768.db2.gz PZRDCLIIGDKLLG-LLVKDONJSA-N 0 0 337.335 3.467 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC000473511699 458832970 /nfs/dbraw/zinc/83/29/70/458832970.db2.gz IMJRKZBHMYDVFC-UHFFFAOYSA-N 0 0 336.351 3.291 10 5 EGBERN CSc1cncc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000517996259 458835149 /nfs/dbraw/zinc/83/51/49/458835149.db2.gz RSJZYPAVPIUKDC-UHFFFAOYSA-N 0 0 329.385 3.243 10 5 EGBERN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548084389 458835429 /nfs/dbraw/zinc/83/54/29/458835429.db2.gz GBVHMBBJKUDTEQ-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000457100119 458866851 /nfs/dbraw/zinc/86/68/51/458866851.db2.gz ZEELVZZNWKJIAL-LLVKDONJSA-N 0 0 326.780 3.137 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000457194944 458894397 /nfs/dbraw/zinc/89/43/97/458894397.db2.gz YHADOCCWBHLNAF-LLVKDONJSA-N 0 0 340.807 3.492 10 5 EGBERN CCc1ccc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1OC ZINC000519142902 458919113 /nfs/dbraw/zinc/91/91/13/458919113.db2.gz CNOVUKRRTDORLQ-MRXNPFEDSA-N 0 0 346.383 3.018 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000556560036 458972278 /nfs/dbraw/zinc/97/22/78/458972278.db2.gz CXCCXINTWOZOIB-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000442694394 459024150 /nfs/dbraw/zinc/02/41/50/459024150.db2.gz JMSHOKMDMFEFRE-BXKDBHETSA-N 0 0 337.763 3.362 10 5 EGBERN Cc1cc(Cl)ccc1OCCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140279 459035402 /nfs/dbraw/zinc/03/54/02/459035402.db2.gz FQHCOBHMBJEUMB-UHFFFAOYSA-N 0 0 349.774 3.151 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594525184 459080692 /nfs/dbraw/zinc/08/06/92/459080692.db2.gz OUFPYVOXQFZRCK-TZMCWYRMSA-N 0 0 325.340 3.203 10 5 EGBERN C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000567306034 459082560 /nfs/dbraw/zinc/08/25/60/459082560.db2.gz IULFWLNHOOTYPQ-BBRMVZONSA-N 0 0 325.368 3.196 10 5 EGBERN Cc1cn2c(n1)CN(c1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000590140452 459091363 /nfs/dbraw/zinc/09/13/63/459091363.db2.gz JXYYKZBPDVRQSZ-UHFFFAOYSA-N 0 0 340.305 3.447 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000590178815 459098259 /nfs/dbraw/zinc/09/82/59/459098259.db2.gz CMACBPMRMLQYBW-NXHRZFHOSA-N 0 0 334.416 3.206 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000590178809 459098452 /nfs/dbraw/zinc/09/84/52/459098452.db2.gz CMACBPMRMLQYBW-JQHSSLGASA-N 0 0 334.416 3.206 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000594590772 459100595 /nfs/dbraw/zinc/10/05/95/459100595.db2.gz AUDDIXRPIKNAIF-MCIONIFRSA-N 0 0 349.431 3.097 10 5 EGBERN Cc1c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cccc1N(C)C ZINC000567458946 459109646 /nfs/dbraw/zinc/10/96/46/459109646.db2.gz BPSKDGLLQTYXLC-UHFFFAOYSA-N 0 0 349.337 3.429 10 5 EGBERN CC1(C)Cc2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000590429246 459129773 /nfs/dbraw/zinc/12/97/73/459129773.db2.gz QVMHTUGQJBYAMB-UHFFFAOYSA-N 0 0 325.368 3.406 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590439377 459130759 /nfs/dbraw/zinc/13/07/59/459130759.db2.gz OMMNCQJCCKDKHV-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN Cc1sc(C(=O)N2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000590442586 459132351 /nfs/dbraw/zinc/13/23/51/459132351.db2.gz HXVVFNWYRNCGLM-UHFFFAOYSA-N 0 0 338.335 3.425 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C3(C(F)(F)F)CCOCC3)n2)cc1 ZINC000594730908 459144175 /nfs/dbraw/zinc/14/41/75/459144175.db2.gz XMFSFOGAVHJTGT-UHFFFAOYSA-N 0 0 343.261 3.255 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(=O)[O-] ZINC000567866478 459181019 /nfs/dbraw/zinc/18/10/19/459181019.db2.gz XKPFRYAGJBMEDH-SWLSCSKDSA-N 0 0 344.367 3.397 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000522034964 459205508 /nfs/dbraw/zinc/20/55/08/459205508.db2.gz INGWUPIELBZHMM-OAHLLOKOSA-N 0 0 341.411 3.405 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000578605657 459228952 /nfs/dbraw/zinc/22/89/52/459228952.db2.gz AFDGTAAHTAPFTM-GXSJLCMTSA-N 0 0 345.321 3.440 10 5 EGBERN COc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000590870875 459252947 /nfs/dbraw/zinc/25/29/47/459252947.db2.gz PHESMUBEHCMWSW-UHFFFAOYSA-N 0 0 327.340 3.055 10 5 EGBERN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000559349941 459254291 /nfs/dbraw/zinc/25/42/91/459254291.db2.gz VLEIGEYUROQPTI-BDAKNGLRSA-N 0 0 346.168 3.040 10 5 EGBERN COc1cccc([C@H]2CN(c3cc(C)ccc3[N+](=O)[O-])CCO2)c1 ZINC000481819539 459275480 /nfs/dbraw/zinc/27/54/80/459275480.db2.gz ZIVUEHDMZGXNDP-GOSISDBHSA-N 0 0 328.368 3.490 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000568436445 459287328 /nfs/dbraw/zinc/28/73/28/459287328.db2.gz MOYGMUWJCMSKPQ-AOOOYVTPSA-N 0 0 343.309 3.195 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595421325 459295850 /nfs/dbraw/zinc/29/58/50/459295850.db2.gz FBCJMGRDCCFVPF-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N(CC(F)F)CC1CCC1 ZINC000534217778 459299853 /nfs/dbraw/zinc/29/98/53/459299853.db2.gz FPIYSOGANLBKOQ-UHFFFAOYSA-N 0 0 327.331 3.172 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591068350 459304309 /nfs/dbraw/zinc/30/43/09/459304309.db2.gz KUVTZGOOQACFBO-BBWFWOEESA-N 0 0 346.427 3.410 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]1C(F)(F)F ZINC000595488804 459322120 /nfs/dbraw/zinc/32/21/20/459322120.db2.gz MMQTZGJIILTRRO-SNVBAGLBSA-N 0 0 339.111 3.494 10 5 EGBERN Cc1noc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1[N+](=O)[O-] ZINC000595494332 459324216 /nfs/dbraw/zinc/32/42/16/459324216.db2.gz AMMCHTCQVGWOFH-GFCCVEGCSA-N 0 0 347.375 3.269 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595545111 459341383 /nfs/dbraw/zinc/34/13/83/459341383.db2.gz OAYWSAQDAKMLJT-UONOGXRCSA-N 0 0 347.415 3.317 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1c2ccccc2CC[C@H]1CCO ZINC000595551197 459344630 /nfs/dbraw/zinc/34/46/30/459344630.db2.gz GIOFIDVEBNDUDN-INIZCTEOSA-N 0 0 330.359 3.438 10 5 EGBERN C[C@H]1C[C@@H]1c1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568782357 459345421 /nfs/dbraw/zinc/34/54/21/459345421.db2.gz OJSWMZLBAMOZNA-CABZTGNLSA-N 0 0 325.328 3.169 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595572637 459351682 /nfs/dbraw/zinc/35/16/82/459351682.db2.gz GHERXEHBLISFME-UHFFFAOYSA-N 0 0 329.347 3.118 10 5 EGBERN COC(=O)c1cc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524551028 459370906 /nfs/dbraw/zinc/37/09/06/459370906.db2.gz SQDXRYYKXIRAAQ-STQMWFEESA-N 0 0 348.399 3.328 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000525042508 459413395 /nfs/dbraw/zinc/41/33/95/459413395.db2.gz XOKCOBLDRSJFPI-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN COc1cc(CSc2nnnn2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000484516327 459416407 /nfs/dbraw/zinc/41/64/07/459416407.db2.gz QSFMBPCEWVQYDL-UHFFFAOYSA-N 0 0 349.416 3.387 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595749257 459424291 /nfs/dbraw/zinc/42/42/91/459424291.db2.gz JIWKTVWFMYBIFE-HNNXBMFYSA-N 0 0 344.333 3.351 10 5 EGBERN COc1ccc(CN2CCOC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595760415 459430106 /nfs/dbraw/zinc/43/01/06/459430106.db2.gz RCDFJWGDXFANJQ-KRWDZBQOSA-N 0 0 346.358 3.316 10 5 EGBERN CC[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000595785135 459440011 /nfs/dbraw/zinc/44/00/11/459440011.db2.gz VHRGDKUCHOJKJL-HNNXBMFYSA-N 0 0 330.388 3.106 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595831990 459458655 /nfs/dbraw/zinc/45/86/55/459458655.db2.gz GSSOPQZTMCTWAG-CQSZACIVSA-N 0 0 347.415 3.054 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595839409 459460753 /nfs/dbraw/zinc/46/07/53/459460753.db2.gz FUQUSOPFWFNNPJ-UKRRQHHQSA-N 0 0 335.404 3.160 10 5 EGBERN CC1(C)CC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000595864706 459466851 /nfs/dbraw/zinc/46/68/51/459466851.db2.gz QMSTVYQEUPDPIY-UHFFFAOYSA-N 0 0 330.388 3.106 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000561590861 459467627 /nfs/dbraw/zinc/46/76/27/459467627.db2.gz KVBZBKAQJCSEAM-IYBDPMFKSA-N 0 0 338.411 3.179 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596003162 459493590 /nfs/dbraw/zinc/49/35/90/459493590.db2.gz OAYZVLPXNXILMX-UHFFFAOYSA-N 0 0 343.387 3.243 10 5 EGBERN CC1(CC(F)F)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591971737 459501480 /nfs/dbraw/zinc/50/14/80/459501480.db2.gz LYSWCCLKWSKJOU-UHFFFAOYSA-N 0 0 325.237 3.490 10 5 EGBERN O=C1CCCN1CCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596051068 459502584 /nfs/dbraw/zinc/50/25/84/459502584.db2.gz KSYVSQAZHBPKDF-UHFFFAOYSA-N 0 0 331.294 3.038 10 5 EGBERN CCN(CC)C(=O)C1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596117494 459526767 /nfs/dbraw/zinc/52/67/67/459526767.db2.gz HPDKZFAEGXOFTK-UHFFFAOYSA-N 0 0 325.434 3.050 10 5 EGBERN C[C@@H](C(=O)N1CC(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000562282633 459530211 /nfs/dbraw/zinc/53/02/11/459530211.db2.gz VOLGSISVIJRHNQ-GFCCVEGCSA-N 0 0 328.343 3.463 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccc(F)c1 ZINC000596151670 459538463 /nfs/dbraw/zinc/53/84/63/459538463.db2.gz ISMQIWSELUADIA-DIFFPNOSSA-N 0 0 343.358 3.420 10 5 EGBERN COc1cc(NCc2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])cc1C ZINC000596171711 459547144 /nfs/dbraw/zinc/54/71/44/459547144.db2.gz PRLSXFAMGKDEFU-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN COc1cc(N2CCCN(CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596177550 459549471 /nfs/dbraw/zinc/54/94/71/459549471.db2.gz MUHWBALKCZWDDQ-UHFFFAOYSA-N 0 0 349.765 3.034 10 5 EGBERN CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000592211056 459550392 /nfs/dbraw/zinc/55/03/92/459550392.db2.gz KDURKGBLBBVTIG-HNNXBMFYSA-N 0 0 333.388 3.070 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596181502 459550810 /nfs/dbraw/zinc/55/08/10/459550810.db2.gz FQSVETKIKLCGEQ-DTWKUNHWSA-N 0 0 328.752 3.014 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596187749 459553435 /nfs/dbraw/zinc/55/34/35/459553435.db2.gz WZVSYVDOWHWDPS-NXEZZACHSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596223638 459566242 /nfs/dbraw/zinc/56/62/42/459566242.db2.gz UBUZWUFUDGQDIJ-NXEZZACHSA-N 0 0 342.779 3.039 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596228161 459567965 /nfs/dbraw/zinc/56/79/65/459567965.db2.gz XFJODDNWYNCMRL-GFCCVEGCSA-N 0 0 337.738 3.312 10 5 EGBERN CCc1nocc1CN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596243564 459573257 /nfs/dbraw/zinc/57/32/57/459573257.db2.gz JBNFFJNQYINNIJ-UHFFFAOYSA-N 0 0 325.752 3.444 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCCOCc1ccccc1)CCCC2 ZINC000592360432 459579932 /nfs/dbraw/zinc/57/99/32/459579932.db2.gz ZHAYDXOELUIZCD-UHFFFAOYSA-N 0 0 342.395 3.242 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596272773 459581009 /nfs/dbraw/zinc/58/10/09/459581009.db2.gz JUFXQHPCHWCLHJ-JGVFFNPUSA-N 0 0 330.793 3.341 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2COC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596312803 459593091 /nfs/dbraw/zinc/59/30/91/459593091.db2.gz YFDZGOILXOXXNA-MRVPVSSYSA-N 0 0 328.752 3.014 10 5 EGBERN CO[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000596319685 459595228 /nfs/dbraw/zinc/59/52/28/459595228.db2.gz ZPDDNSNUDQNCMT-UFBFGSQYSA-N 0 0 335.187 3.365 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncnn21 ZINC000596345062 459602568 /nfs/dbraw/zinc/60/25/68/459602568.db2.gz YZSDPWZINCMJTG-GMSGAONNSA-N 0 0 327.266 3.323 10 5 EGBERN Cc1ccccc1-c1noc(=O)n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542932664 459611487 /nfs/dbraw/zinc/61/14/87/459611487.db2.gz VFXQSSIEHNBKLE-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN COc1cc(CSC[C@H](OC)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000596389386 459618251 /nfs/dbraw/zinc/61/82/51/459618251.db2.gz PHKLPXYCGFZELC-BMIGLBTASA-N 0 0 345.392 3.027 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000543047958 459619653 /nfs/dbraw/zinc/61/96/53/459619653.db2.gz JVKPKLGCNTWSGN-CYBMUJFWSA-N 0 0 325.368 3.424 10 5 EGBERN COc1ccc(OCCSCCO[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000596400763 459623791 /nfs/dbraw/zinc/62/37/91/459623791.db2.gz OYVXOFZLROQZRT-CYBMUJFWSA-N 0 0 349.355 3.140 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCC1CCC(O)CC1 ZINC000596512250 459661973 /nfs/dbraw/zinc/66/19/73/459661973.db2.gz BNMMSUMFIDWBAL-UHFFFAOYSA-N 0 0 329.194 3.320 10 5 EGBERN CO[C@@H](CSCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000596400479 459624126 /nfs/dbraw/zinc/62/41/26/459624126.db2.gz GJVSXSNLSLMUQK-HNNXBMFYSA-N 0 0 338.429 3.132 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000527305409 459626039 /nfs/dbraw/zinc/62/60/39/459626039.db2.gz DKNVEUZVRHDBNU-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)nc1 ZINC000596440785 459636504 /nfs/dbraw/zinc/63/65/04/459636504.db2.gz CZQLIKZLEULGFO-SNVBAGLBSA-N 0 0 339.277 3.140 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596455258 459642823 /nfs/dbraw/zinc/64/28/23/459642823.db2.gz RCRHYINCWGNZBV-HOTGVXAUSA-N 0 0 349.431 3.142 10 5 EGBERN CC[C@@H](NC(=O)NC1(COC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596456918 459642839 /nfs/dbraw/zinc/64/28/39/459642839.db2.gz ULPVOUUHXXYFGJ-OAHLLOKOSA-N 0 0 335.404 3.304 10 5 EGBERN C[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1(F)F ZINC000596477628 459650040 /nfs/dbraw/zinc/65/00/40/459650040.db2.gz NRCZWTBHVFTTJW-OAHLLOKOSA-N 0 0 339.342 3.288 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@H]2CCC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000596476423 459650546 /nfs/dbraw/zinc/65/05/46/459650546.db2.gz IJYQXQWIRACXBW-JSGCOSHPSA-N 0 0 336.388 3.070 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000596481540 459651191 /nfs/dbraw/zinc/65/11/91/459651191.db2.gz CCEVZIPBIJLSCB-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN CCC(=O)c1ccc(NCc2nccc(OC)c2F)c([N+](=O)[O-])c1 ZINC000596480162 459651339 /nfs/dbraw/zinc/65/13/39/459651339.db2.gz WOHLUZKWMXOBQQ-UHFFFAOYSA-N 0 0 333.319 3.342 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000596485069 459653096 /nfs/dbraw/zinc/65/30/96/459653096.db2.gz ZNQZUSIJMUZXRQ-SFHVURJKSA-N 0 0 344.415 3.296 10 5 EGBERN Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596493282 459656113 /nfs/dbraw/zinc/65/61/13/459656113.db2.gz JXDHXFWMWYPLMT-KGLIPLIRSA-N 0 0 342.399 3.364 10 5 EGBERN CCc1nn(C)c(N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000596493780 459656137 /nfs/dbraw/zinc/65/61/37/459656137.db2.gz JZELSLFEVUTMFH-CHWSQXEVSA-N 0 0 336.436 3.429 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596497261 459656846 /nfs/dbraw/zinc/65/68/46/459656846.db2.gz NERHEDGIVFMXEW-CALCHBBNSA-N 0 0 331.372 3.019 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC2(CC2(F)F)CC1 ZINC000596500863 459657957 /nfs/dbraw/zinc/65/79/57/459657957.db2.gz JRQAOHUBVASHHG-UHFFFAOYSA-N 0 0 339.342 3.334 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H](C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000592670872 459659962 /nfs/dbraw/zinc/65/99/62/459659962.db2.gz CKQOOJDRXGZSKI-VIFPVBQESA-N 0 0 346.330 3.023 10 5 EGBERN CC1(C)[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(F)F ZINC000596513010 459662084 /nfs/dbraw/zinc/66/20/84/459662084.db2.gz OVOOTGPANCQHJJ-GFCCVEGCSA-N 0 0 325.315 3.183 10 5 EGBERN O=[N+]([O-])c1cccc2c(NCC3(O)CCC(F)(F)CC3)ccnc21 ZINC000596528034 459666864 /nfs/dbraw/zinc/66/68/64/459666864.db2.gz LZUBLHUQDNHTMF-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000592696339 459669160 /nfs/dbraw/zinc/66/91/60/459669160.db2.gz WHHBZZHLQOWBOO-GJZGRUSLSA-N 0 0 348.447 3.165 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000596557740 459675974 /nfs/dbraw/zinc/67/59/74/459675974.db2.gz KBCUNOWDKASZLS-ONGXEEELSA-N 0 0 334.294 3.150 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592733800 459678793 /nfs/dbraw/zinc/67/87/93/459678793.db2.gz GAIOCIJGMGYHGT-FXPVBKGRSA-N 0 0 339.189 3.276 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc2c(c1)CCCO2 ZINC000596571953 459681168 /nfs/dbraw/zinc/68/11/68/459681168.db2.gz BPOGVQPMERDOHI-NSHDSACASA-N 0 0 341.367 3.192 10 5 EGBERN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572057 459681521 /nfs/dbraw/zinc/68/15/21/459681521.db2.gz KFQPPCZMJGRRML-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN CC(=O)c1cc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596573060 459682516 /nfs/dbraw/zinc/68/25/16/459682516.db2.gz SFSRBYLUHUABPS-BJOHPYRUSA-N 0 0 328.315 3.046 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(CC(F)F)C2)c1 ZINC000592836946 459701590 /nfs/dbraw/zinc/70/15/90/459701590.db2.gz ZMJSNWMSQWDDMD-UHFFFAOYSA-N 0 0 330.356 3.434 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000596624998 459703485 /nfs/dbraw/zinc/70/34/85/459703485.db2.gz MNPNYLQLWMMOOS-NSHDSACASA-N 0 0 329.303 3.016 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874575 459708524 /nfs/dbraw/zinc/70/85/24/459708524.db2.gz TWOSDWCILAMUKU-VXGBXAGGSA-N 0 0 334.420 3.169 10 5 EGBERN Cc1cc(-c2cc([N+](=O)[O-])ccc2CCO)ccc1N1CCCC1=O ZINC000596647132 459712646 /nfs/dbraw/zinc/71/26/46/459712646.db2.gz BWACEAGFKSBKFN-UHFFFAOYSA-N 0 0 340.379 3.232 10 5 EGBERN COc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1N1CCCC1 ZINC000596647571 459713858 /nfs/dbraw/zinc/71/38/58/459713858.db2.gz PXYLZSPZLNKCDE-UHFFFAOYSA-N 0 0 342.395 3.405 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000593037537 459749799 /nfs/dbraw/zinc/74/97/99/459749799.db2.gz APKCOLQGXJYLGT-DLBZAZTESA-N 0 0 342.420 3.358 10 5 EGBERN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000596744620 459750108 /nfs/dbraw/zinc/75/01/08/459750108.db2.gz QXXCUUCRHJJUEX-SNVBAGLBSA-N 0 0 334.401 3.347 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593056005 459758761 /nfs/dbraw/zinc/75/87/61/459758761.db2.gz WZWQIPMDTKFECQ-HNNXBMFYSA-N 0 0 338.379 3.084 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000544447814 459761898 /nfs/dbraw/zinc/76/18/98/459761898.db2.gz FMYCQZZYXFIKFV-QGZVFWFLSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596788722 459762551 /nfs/dbraw/zinc/76/25/51/459762551.db2.gz VSCDEOJATTWUTE-LBPRGKRZSA-N 0 0 333.388 3.387 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000596788410 459762829 /nfs/dbraw/zinc/76/28/29/459762829.db2.gz RDFZXNHTXFMTAP-HNNXBMFYSA-N 0 0 343.330 3.100 10 5 EGBERN COc1ccnc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1F ZINC000596787484 459763094 /nfs/dbraw/zinc/76/30/94/459763094.db2.gz INNSEPQWQJCBID-UHFFFAOYSA-N 0 0 348.334 3.076 10 5 EGBERN COC(=O)c1cc(N2CC=C(C(F)(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000584543297 459765419 /nfs/dbraw/zinc/76/54/19/459765419.db2.gz FEWYGJQVHJCYOR-UHFFFAOYSA-N 0 0 344.289 3.389 10 5 EGBERN C[C@H](NC(=O)[C@H]1COC[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596840885 459775396 /nfs/dbraw/zinc/77/53/96/459775396.db2.gz DWCLURHNLPDEFP-KKXDTOCCSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000596840976 459776232 /nfs/dbraw/zinc/77/62/32/459776232.db2.gz BKCWGZSEKZRLLR-ZDUSSCGKSA-N 0 0 333.388 3.469 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1Cc2ccccc2C1 ZINC000574115840 459780206 /nfs/dbraw/zinc/78/02/06/459780206.db2.gz WHBWJCOUHBMTEM-UHFFFAOYSA-N 0 0 349.390 3.150 10 5 EGBERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000544721703 459780246 /nfs/dbraw/zinc/78/02/46/459780246.db2.gz NIYNBZKETWKIFU-KBPBESRZSA-N 0 0 340.445 3.231 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000544721705 459780284 /nfs/dbraw/zinc/78/02/84/459780284.db2.gz NIYNBZKETWKIFU-KGLIPLIRSA-N 0 0 340.445 3.231 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596945833 459802528 /nfs/dbraw/zinc/80/25/28/459802528.db2.gz JFZQOJMJGSCNNF-CTYIDZIISA-N 0 0 349.431 3.475 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCOCC2CCC2)c1 ZINC000593197746 459805120 /nfs/dbraw/zinc/80/51/20/459805120.db2.gz ITGVDVFWJHZBJC-UHFFFAOYSA-N 0 0 339.413 3.431 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccnc(OC)c2)c1 ZINC000593200317 459805972 /nfs/dbraw/zinc/80/59/72/459805972.db2.gz VQZDVAGOYOAYHA-UHFFFAOYSA-N 0 0 348.380 3.218 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000545171273 459806260 /nfs/dbraw/zinc/80/62/60/459806260.db2.gz QLAKLYHWBLTTTQ-CYBMUJFWSA-N 0 0 337.401 3.052 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593218644 459810544 /nfs/dbraw/zinc/81/05/44/459810544.db2.gz RJCAGCSPBKQOLV-KRWDZBQOSA-N 0 0 347.415 3.484 10 5 EGBERN O=C(Nc1cc(F)ccn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597014753 459818880 /nfs/dbraw/zinc/81/88/80/459818880.db2.gz RNIFMDVUEYKQNI-UHFFFAOYSA-N 0 0 330.319 3.325 10 5 EGBERN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593294254 459831857 /nfs/dbraw/zinc/83/18/57/459831857.db2.gz IUMJIYHHTPIDDM-OCCSQVGLSA-N 0 0 338.429 3.103 10 5 EGBERN C[C@]1(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1(F)F ZINC000597091402 459835449 /nfs/dbraw/zinc/83/54/49/459835449.db2.gz DRHQYLABSLZAAR-LBPRGKRZSA-N 0 0 348.737 3.387 10 5 EGBERN CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098127 459836668 /nfs/dbraw/zinc/83/66/68/459836668.db2.gz SBLYPPGLPFWLBY-GZMMTYOYSA-N 0 0 326.784 3.483 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC1 ZINC000585750437 459840534 /nfs/dbraw/zinc/84/05/34/459840534.db2.gz TTYRAXHCDJOKCL-NWDGAFQWSA-N 0 0 325.162 3.342 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000585808021 459853659 /nfs/dbraw/zinc/85/36/59/459853659.db2.gz YWGNQMMGEJXWCQ-UHFFFAOYSA-N 0 0 343.387 3.206 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593355508 459859990 /nfs/dbraw/zinc/85/99/90/459859990.db2.gz ZIFXGQQMIJWOIH-NSHDSACASA-N 0 0 343.358 3.239 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593360282 459862492 /nfs/dbraw/zinc/86/24/92/459862492.db2.gz SXEMTKSHKSPQIQ-YGRLFVJLSA-N 0 0 342.367 3.333 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1c(C2CCC2)cnn1C ZINC000598320499 459864257 /nfs/dbraw/zinc/86/42/57/459864257.db2.gz HMSLXTBQXTYCJV-UHFFFAOYSA-N 0 0 342.399 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000598340355 459871810 /nfs/dbraw/zinc/87/18/10/459871810.db2.gz JOGFOBDHDGKHSO-CYBMUJFWSA-N 0 0 342.342 3.080 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000598350295 459875197 /nfs/dbraw/zinc/87/51/97/459875197.db2.gz MAJGIWDTLCZZNH-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@H](C(=O)N1CC2(CCCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598356233 459877804 /nfs/dbraw/zinc/87/78/04/459877804.db2.gz ZEUWTNVQGXWTGN-KGLIPLIRSA-N 0 0 332.400 3.258 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC[C@@H]1CCO ZINC000586835100 459883755 /nfs/dbraw/zinc/88/37/55/459883755.db2.gz FCXIVHCKBUYNGN-IAGOWNOFSA-N 0 0 348.443 3.317 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N(C)C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000586834600 459883930 /nfs/dbraw/zinc/88/39/30/459883930.db2.gz FPTDPVBQSXFNBC-UHFFFAOYSA-N 0 0 330.388 3.449 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593437690 459889505 /nfs/dbraw/zinc/88/95/05/459889505.db2.gz VBTBCSICVBDFLB-UHFFFAOYSA-N 0 0 345.374 3.153 10 5 EGBERN COc1ccc(CC(=O)N2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000598401288 459891114 /nfs/dbraw/zinc/89/11/14/459891114.db2.gz SSRRYCBCQJAASA-HNNXBMFYSA-N 0 0 332.400 3.185 10 5 EGBERN Nc1cc(N2CCC[C@@H]2c2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587096840 459891244 /nfs/dbraw/zinc/89/12/44/459891244.db2.gz VHIMUBWZZRUZOD-MRXNPFEDSA-N 0 0 331.347 3.150 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000597241368 459892144 /nfs/dbraw/zinc/89/21/44/459892144.db2.gz DQAGIIZZUFWQQL-RISCZKNCSA-N 0 0 332.322 3.445 10 5 EGBERN Cc1ccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597245535 459894183 /nfs/dbraw/zinc/89/41/83/459894183.db2.gz ZOKPXEPHKWWUQM-WCQYABFASA-N 0 0 332.322 3.445 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCCC[C@H]2CCCC[C@@H]2O)s1 ZINC000588002728 459900891 /nfs/dbraw/zinc/90/08/91/459900891.db2.gz FPNATPWVEGROFI-PWSUYJOCSA-N 0 0 336.417 3.343 10 5 EGBERN C[C@H](C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000598460292 459903303 /nfs/dbraw/zinc/90/33/03/459903303.db2.gz WYSWBGHASYXLSG-FZPCANGISA-N 0 0 340.354 3.292 10 5 EGBERN CC(=O)c1cc(NC[C@@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484812 459903475 /nfs/dbraw/zinc/90/34/75/459903475.db2.gz QRCUDLLJBQMVJJ-LJQANCHMSA-N 0 0 340.379 3.086 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593484445 459903581 /nfs/dbraw/zinc/90/35/81/459903581.db2.gz OMVYYBWQNNTRRW-UHFFFAOYSA-N 0 0 340.383 3.082 10 5 EGBERN COc1cc(OCC(=O)N(CCC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000598465716 459903800 /nfs/dbraw/zinc/90/38/00/459903800.db2.gz JZXQPRIICWWBDO-UHFFFAOYSA-N 0 0 348.399 3.021 10 5 EGBERN Nc1cc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588027487 459903997 /nfs/dbraw/zinc/90/39/97/459903997.db2.gz JZQTZGSFDKKGJN-HOCLYGCPSA-N 0 0 341.411 3.493 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598466505 459904864 /nfs/dbraw/zinc/90/48/64/459904864.db2.gz WKKNRQMKBAYFFW-UHFFFAOYSA-N 0 0 330.331 3.161 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CC3)C3CCOCC3)c21 ZINC000593490901 459905287 /nfs/dbraw/zinc/90/52/87/459905287.db2.gz CVRKHSXSOIZASA-INIZCTEOSA-N 0 0 328.372 3.155 10 5 EGBERN COC(=O)c1cc(N2CCC3(CC3(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000593498971 459907439 /nfs/dbraw/zinc/90/74/39/459907439.db2.gz WNNBQSLSXFOHPE-UHFFFAOYSA-N 0 0 340.326 3.315 10 5 EGBERN CC1(C)CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597314432 459912267 /nfs/dbraw/zinc/91/22/67/459912267.db2.gz ZQRNQZQVLHTAKQ-INIZCTEOSA-N 0 0 332.400 3.401 10 5 EGBERN COc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609176107 459918996 /nfs/dbraw/zinc/91/89/96/459918996.db2.gz CSWZULJUBZIHHX-UHFFFAOYSA-N 0 0 344.367 3.111 10 5 EGBERN CC1(C)CC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000598502184 459922577 /nfs/dbraw/zinc/92/25/77/459922577.db2.gz JJGWZDODOFGDCC-UHFFFAOYSA-N 0 0 331.416 3.116 10 5 EGBERN CCc1ccc(CC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)nc1 ZINC000597349978 459924844 /nfs/dbraw/zinc/92/48/44/459924844.db2.gz RCQUDSVXIFAIIE-KRWDZBQOSA-N 0 0 327.384 3.362 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)C1CCC1 ZINC000602416931 459926715 /nfs/dbraw/zinc/92/67/15/459926715.db2.gz YWOUYKSGXJARFZ-UHFFFAOYSA-N 0 0 328.372 3.076 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC000609376200 459954268 /nfs/dbraw/zinc/95/42/68/459954268.db2.gz AUVCBZBYUVNCQD-UHFFFAOYSA-N 0 0 341.367 3.050 10 5 EGBERN COC(=O)c1ccnc(N2CCC(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598600114 459959522 /nfs/dbraw/zinc/95/95/22/459959522.db2.gz NGJVKKCOPPGFKA-UHFFFAOYSA-N 0 0 333.388 3.183 10 5 EGBERN COC(=O)c1ccnc(N(C)Cc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000598619105 459964319 /nfs/dbraw/zinc/96/43/19/459964319.db2.gz APQGIAHDCGHTET-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000598647260 459976053 /nfs/dbraw/zinc/97/60/53/459976053.db2.gz ACEKHISXQBSYIS-UHFFFAOYSA-N 0 0 333.363 3.386 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC1(F)F ZINC000588784434 459982607 /nfs/dbraw/zinc/98/26/07/459982607.db2.gz KOEJMHBCJJGSIN-CYBMUJFWSA-N 0 0 327.331 3.091 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677650 459990291 /nfs/dbraw/zinc/99/02/91/459990291.db2.gz QTQKBFHOBHOOTN-TZMCWYRMSA-N 0 0 336.342 3.053 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nccn3c2)c1 ZINC000609618960 459995815 /nfs/dbraw/zinc/99/58/15/459995815.db2.gz PRWAUJYRVXGRSR-UHFFFAOYSA-N 0 0 328.353 3.217 10 5 EGBERN O=C(Nc1ccc2nccn2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609618913 459995964 /nfs/dbraw/zinc/99/59/64/459995964.db2.gz BYMZYOHMAWNYAK-UHFFFAOYSA-N 0 0 337.339 3.069 10 5 EGBERN O=C(C1CC2(C1)CCCCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597575638 459998075 /nfs/dbraw/zinc/99/80/75/459998075.db2.gz QOGXDLCUIMUNGJ-UHFFFAOYSA-N 0 0 346.431 3.315 10 5 EGBERN CCc1ccncc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000593855175 460004261 /nfs/dbraw/zinc/00/42/61/460004261.db2.gz FKJIKFMDGLPFJJ-UHFFFAOYSA-N 0 0 328.372 3.383 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000593888871 460011064 /nfs/dbraw/zinc/01/10/64/460011064.db2.gz CUXPQTIUKCKKLL-YWPUVAFDSA-N 0 0 334.420 3.386 10 5 EGBERN Cc1cccc(COCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000598740231 460014302 /nfs/dbraw/zinc/01/43/02/460014302.db2.gz FTANENRMVXJQHJ-UHFFFAOYSA-N 0 0 342.395 3.471 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000609763767 460014631 /nfs/dbraw/zinc/01/46/31/460014631.db2.gz LIMSBOZHMQAHCD-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1csc([N+](=O)[O-])c1 ZINC000593917637 460016990 /nfs/dbraw/zinc/01/69/90/460016990.db2.gz XDAZEEGWIGVDLU-CYBMUJFWSA-N 0 0 331.397 3.203 10 5 EGBERN COc1ccc(Cl)cc1N1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609797177 460019989 /nfs/dbraw/zinc/01/99/89/460019989.db2.gz KUIQPEXWNSPZFM-ZDUSSCGKSA-N 0 0 348.790 3.343 10 5 EGBERN C[C@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609796768 460020059 /nfs/dbraw/zinc/02/00/59/460020059.db2.gz PHUHBPFWKJTWDB-AWEZNQCLSA-N 0 0 338.411 3.410 10 5 EGBERN CC(C)(NC(=O)Cc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000597689800 460028725 /nfs/dbraw/zinc/02/87/25/460028725.db2.gz XCTDCYVRQKCVDD-UHFFFAOYSA-N 0 0 333.775 3.237 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C34CC(c5ccccc5)(C3)C4)n2)nc1 ZINC000589137607 460036955 /nfs/dbraw/zinc/03/69/55/460036955.db2.gz WKDHRJUCICIUED-UHFFFAOYSA-N 0 0 348.362 3.337 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000597728420 460040723 /nfs/dbraw/zinc/04/07/23/460040723.db2.gz WJROOPAXPQEIQM-CYBMUJFWSA-N 0 0 344.392 3.452 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000609981569 460044172 /nfs/dbraw/zinc/04/41/72/460044172.db2.gz MUKUUFZWZVGMAZ-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000598866286 460074938 /nfs/dbraw/zinc/07/49/38/460074938.db2.gz OQMYVFFJWQGYDF-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618585374 460075194 /nfs/dbraw/zinc/07/51/94/460075194.db2.gz QGROOIHPICFEGR-ZDUSSCGKSA-N 0 0 344.293 3.019 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000597863955 460083891 /nfs/dbraw/zinc/08/38/91/460083891.db2.gz KCZOHOOSBDWJPB-LBPRGKRZSA-N 0 0 340.383 3.098 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594067817 460084342 /nfs/dbraw/zinc/08/43/42/460084342.db2.gz ASKVVSIWTXWLPT-BSDSXHPESA-N 0 0 344.411 3.162 10 5 EGBERN C[C@@H](C(=O)N1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000594068752 460084920 /nfs/dbraw/zinc/08/49/20/460084920.db2.gz OTBBVUQGWANGKB-LLVKDONJSA-N 0 0 329.331 3.212 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598893376 460088262 /nfs/dbraw/zinc/08/82/62/460088262.db2.gz RGLVQINECBSWFB-SSDOTTSWSA-N 0 0 338.232 3.389 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCc3nc(C(C)C)ncc3C2)c1 ZINC000598932724 460094507 /nfs/dbraw/zinc/09/45/07/460094507.db2.gz DZPIZNJZTVBWOF-UHFFFAOYSA-N 0 0 328.372 3.080 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(OC)cc2)c1 ZINC000589494416 460095208 /nfs/dbraw/zinc/09/52/08/460095208.db2.gz IXDMTHFWORNUJK-UHFFFAOYSA-N 0 0 344.367 3.022 10 5 EGBERN CC[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943371 460097086 /nfs/dbraw/zinc/09/70/86/460097086.db2.gz SOCJYAFAHRERNH-QZTJIDSGSA-N 0 0 339.395 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594093766 460098514 /nfs/dbraw/zinc/09/85/14/460098514.db2.gz GAHGTTPQRWRAEY-CVEARBPZSA-N 0 0 333.388 3.372 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000598951353 460099571 /nfs/dbraw/zinc/09/95/71/460099571.db2.gz SWGCTUQDDYNVFP-AAEUAGOBSA-N 0 0 343.358 3.079 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000597918245 460110586 /nfs/dbraw/zinc/11/05/86/460110586.db2.gz DPIIGDNSUOMUMP-NSHDSACASA-N 0 0 331.347 3.107 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597920177 460112173 /nfs/dbraw/zinc/11/21/73/460112173.db2.gz TZJBDLSLRPERNB-ZDUSSCGKSA-N 0 0 346.358 3.169 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000597919818 460112954 /nfs/dbraw/zinc/11/29/54/460112954.db2.gz RGDAVCOGYJHLGC-LBPRGKRZSA-N 0 0 338.429 3.252 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000598980282 460115038 /nfs/dbraw/zinc/11/50/38/460115038.db2.gz REWPDXGLPCBXRY-UHFFFAOYSA-N 0 0 329.347 3.466 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594135776 460120410 /nfs/dbraw/zinc/12/04/10/460120410.db2.gz GRVMGBMLYSLVQE-GFCCVEGCSA-N 0 0 345.399 3.324 10 5 EGBERN COc1ccc(CS(=O)(=O)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000618670814 460123263 /nfs/dbraw/zinc/12/32/63/460123263.db2.gz INTALHJRUKVTEN-KRWDZBQOSA-N 0 0 347.392 3.206 10 5 EGBERN O=[N+]([O-])c1ccc(NCCNc2ncnc3cc(Cl)ccc32)cc1 ZINC000610337351 460124193 /nfs/dbraw/zinc/12/41/93/460124193.db2.gz VSWTVKPQDGSMTL-UHFFFAOYSA-N 0 0 343.774 3.137 10 5 EGBERN Cc1cc(C)n(CCCNc2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC000599016152 460126605 /nfs/dbraw/zinc/12/66/05/460126605.db2.gz LMNVHOKRQIFNAY-UHFFFAOYSA-N 0 0 325.372 3.459 10 5 EGBERN O=C(CCNc1ccc2cnccc2c1[N+](=O)[O-])N1CCCCCC1 ZINC000599033759 460134133 /nfs/dbraw/zinc/13/41/33/460134133.db2.gz BZWGTIOXBOCPBE-UHFFFAOYSA-N 0 0 342.399 3.348 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594174166 460136261 /nfs/dbraw/zinc/13/62/61/460136261.db2.gz KOFARUFIURXBMJ-NSHDSACASA-N 0 0 326.343 3.468 10 5 EGBERN CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594177438 460139370 /nfs/dbraw/zinc/13/93/70/460139370.db2.gz QKENWBVTPGVWJR-WCQYABFASA-N 0 0 326.780 3.326 10 5 EGBERN Cc1cc(C)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1O ZINC000589846996 460151487 /nfs/dbraw/zinc/15/14/87/460151487.db2.gz MLJAXKJOCCVQKU-UHFFFAOYSA-N 0 0 336.294 3.377 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594206909 460151725 /nfs/dbraw/zinc/15/17/25/460151725.db2.gz SPMIYBMJZMQCQZ-OAHLLOKOSA-N 0 0 332.400 3.379 10 5 EGBERN CCSc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000589875109 460154751 /nfs/dbraw/zinc/15/47/51/460154751.db2.gz VMPBIIORYUZUNF-UHFFFAOYSA-N 0 0 333.413 3.393 10 5 EGBERN O=[N+]([O-])c1c(N2CC(F)(c3ccccc3F)C2)nc2sccn21 ZINC000589874577 460155235 /nfs/dbraw/zinc/15/52/35/460155235.db2.gz ZAYPNYCRTPIDHL-UHFFFAOYSA-N 0 0 336.323 3.128 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000599110560 460163973 /nfs/dbraw/zinc/16/39/73/460163973.db2.gz AFCCVUNGTPVBHM-NSHDSACASA-N 0 0 341.289 3.301 10 5 EGBERN CCOc1cccc(NCc2c(C(F)(F)F)cnn2C)c1[N+](=O)[O-] ZINC000599123291 460167294 /nfs/dbraw/zinc/16/72/94/460167294.db2.gz FBRSKVCUKBESRS-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN CNc1nccc(C(=O)N[C@@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000594245177 460170791 /nfs/dbraw/zinc/17/07/91/460170791.db2.gz PZSBLCNJURYCBI-LBPRGKRZSA-N 0 0 348.428 3.032 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598101536 460173928 /nfs/dbraw/zinc/17/39/28/460173928.db2.gz OLWOAACYZYUNGX-DYZYQPBXSA-N 0 0 346.333 3.260 10 5 EGBERN CCO[C@H]1CCCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000610531601 460177713 /nfs/dbraw/zinc/17/77/13/460177713.db2.gz JGKDEQZWYHWDCJ-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@@H](NC(=O)N(CC)C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610530662 460178144 /nfs/dbraw/zinc/17/81/44/460178144.db2.gz RNOKMOJJCSKDEZ-CZUORRHYSA-N 0 0 335.404 3.114 10 5 EGBERN CC(C)(C)Oc1cccc(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)n1 ZINC000599165036 460183255 /nfs/dbraw/zinc/18/32/55/460183255.db2.gz OAAHDSFXOCDKSV-UHFFFAOYSA-N 0 0 330.300 3.477 10 5 EGBERN Cc1cc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599170113 460185823 /nfs/dbraw/zinc/18/58/23/460185823.db2.gz ZWWKSPKQYWWIAQ-JTQLQIEISA-N 0 0 336.285 3.487 10 5 EGBERN CC[C@H](NC(=O)NCc1cccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599182959 460191432 /nfs/dbraw/zinc/19/14/32/460191432.db2.gz SDBIMVNZEKMMKP-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN COc1ccc([C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)cc1F ZINC000599193373 460194663 /nfs/dbraw/zinc/19/46/63/460194663.db2.gz KOWCLFJOZDAXNJ-NSHDSACASA-N 0 0 349.337 3.458 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C1CCC1 ZINC000599200144 460196991 /nfs/dbraw/zinc/19/69/91/460196991.db2.gz YAFYQCVNKKVUKT-LBPRGKRZSA-N 0 0 343.305 3.179 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@](O)(C2CC2)C1 ZINC000598188892 460199158 /nfs/dbraw/zinc/19/91/58/460199158.db2.gz VNSYUCAJBCLWSC-QGZVFWFLSA-N 0 0 346.408 3.187 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C(C)C)C1(CO)CC=CC1 ZINC000594377701 460199945 /nfs/dbraw/zinc/19/99/45/460199945.db2.gz PIPPVSQVGMABLM-QGZVFWFLSA-N 0 0 346.427 3.295 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000598201954 460202437 /nfs/dbraw/zinc/20/24/37/460202437.db2.gz PROHGVQIZXCEIS-CTYIDZIISA-N 0 0 326.352 3.243 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000598208869 460204277 /nfs/dbraw/zinc/20/42/77/460204277.db2.gz PMYBYJJWIOGJQD-RDJZCZTQSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594395031 460204458 /nfs/dbraw/zinc/20/44/58/460204458.db2.gz FFTCLRBTUFQZDN-SJORKVTESA-N 0 0 343.383 3.154 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594399421 460206288 /nfs/dbraw/zinc/20/62/88/460206288.db2.gz UFHZJBFKYAPZJW-DOTOQJQBSA-N 0 0 343.383 3.154 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594399997 460206323 /nfs/dbraw/zinc/20/63/23/460206323.db2.gz VSPFQBJQEDYUKW-DLBZAZTESA-N 0 0 343.383 3.154 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCC(F)(F)CC1 ZINC000594410239 460209232 /nfs/dbraw/zinc/20/92/32/460209232.db2.gz HWNNGGNOLVBLGX-VIFPVBQESA-N 0 0 327.331 3.121 10 5 EGBERN C[C@@H](C(=O)Nc1ccc2c(c1)CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000598224635 460212476 /nfs/dbraw/zinc/21/24/76/460212476.db2.gz ALCPOSDVRXYUGK-GFCCVEGCSA-N 0 0 326.352 3.410 10 5 EGBERN Cc1ccc(CNc2cccnc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000610677998 460213246 /nfs/dbraw/zinc/21/32/46/460213246.db2.gz VWQRZIJUJGEWKL-CQSZACIVSA-N 0 0 343.383 3.326 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](CCF)C1 ZINC000598231461 460215618 /nfs/dbraw/zinc/21/56/18/460215618.db2.gz XXRGSVHMDDOHNI-SNVBAGLBSA-N 0 0 346.305 3.408 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCCCO1 ZINC000610716597 460223704 /nfs/dbraw/zinc/22/37/04/460223704.db2.gz FJHLIYMICWNATQ-MRXNPFEDSA-N 0 0 347.415 3.487 10 5 EGBERN CCOC(=O)c1cc(NC[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000610716082 460223844 /nfs/dbraw/zinc/22/38/44/460223844.db2.gz RUZLJJITLVWCDZ-LBPRGKRZSA-N 0 0 329.356 3.382 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCCO1 ZINC000610720277 460224947 /nfs/dbraw/zinc/22/49/47/460224947.db2.gz NLQLUCUGGKSYRW-MRXNPFEDSA-N 0 0 345.399 3.401 10 5 EGBERN COC(=O)c1cc(N2CCOc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000610769553 460234463 /nfs/dbraw/zinc/23/44/63/460234463.db2.gz VAZMNSVYUUVZPK-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN COC(=O)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F ZINC000610863624 460250286 /nfs/dbraw/zinc/25/02/86/460250286.db2.gz PLFXYKCJBWBHBU-UHFFFAOYSA-N 0 0 343.270 3.238 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000611077258 460286793 /nfs/dbraw/zinc/28/67/93/460286793.db2.gz BZDYYUDGDJBXHM-UHFFFAOYSA-N 0 0 332.253 3.188 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)COCC2 ZINC000615202524 460292546 /nfs/dbraw/zinc/29/25/46/460292546.db2.gz CIDWUPIFHCQKJE-UHFFFAOYSA-N 0 0 347.758 3.277 10 5 EGBERN COC(=O)c1oc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000599638189 460294894 /nfs/dbraw/zinc/29/48/94/460294894.db2.gz ZFRNNGXMRGLBNV-NSHDSACASA-N 0 0 346.339 3.082 10 5 EGBERN CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000611147053 460296352 /nfs/dbraw/zinc/29/63/52/460296352.db2.gz QFNASPHYFGEFHF-INIZCTEOSA-N 0 0 349.431 3.032 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]2CCC[C@H]21 ZINC000599650144 460297598 /nfs/dbraw/zinc/29/75/98/460297598.db2.gz CUKYQTGJQOPOEU-ZMSDIMECSA-N 0 0 332.400 3.067 10 5 EGBERN Cn1ncc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000611158606 460298244 /nfs/dbraw/zinc/29/82/44/460298244.db2.gz RAAUHZQTCQVNDR-UHFFFAOYSA-N 0 0 338.314 3.182 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599717514 460319736 /nfs/dbraw/zinc/31/97/36/460319736.db2.gz HHNJGTFDGIYAOH-HNNXBMFYSA-N 0 0 342.395 3.167 10 5 EGBERN COc1ccc(NC(=O)c2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000599745245 460325309 /nfs/dbraw/zinc/32/53/09/460325309.db2.gz SFWQLCXMTOGMER-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN CCC1(O)CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000611306595 460334782 /nfs/dbraw/zinc/33/47/82/460334782.db2.gz RVKFGFWNZFAFBP-UHFFFAOYSA-N 0 0 336.388 3.185 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829813 460343047 /nfs/dbraw/zinc/34/30/47/460343047.db2.gz MDLHBYSWNXIMNU-GFCCVEGCSA-N 0 0 344.371 3.033 10 5 EGBERN CCC(CC)[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829948 460343383 /nfs/dbraw/zinc/34/33/83/460343383.db2.gz NSWKATVOOFBBOR-INIZCTEOSA-N 0 0 346.387 3.062 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC1CCSCC1 ZINC000599830061 460343549 /nfs/dbraw/zinc/34/35/49/460343549.db2.gz PVXKECCGEQFBMO-UHFFFAOYSA-N 0 0 332.385 3.160 10 5 EGBERN CC(C)(C)C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831236 460343697 /nfs/dbraw/zinc/34/36/97/460343697.db2.gz JJJHWPNOOXEHJH-LLVKDONJSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834437 460344883 /nfs/dbraw/zinc/34/48/83/460344883.db2.gz JIPBNQBVQFLCRM-IDYSPNNHSA-N 0 0 344.371 3.076 10 5 EGBERN CCN(C[C@@H](C)OC)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835811 460345415 /nfs/dbraw/zinc/34/54/15/460345415.db2.gz OQHQFQOHESFPNK-LLVKDONJSA-N 0 0 332.360 3.032 10 5 EGBERN COC1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599838961 460346318 /nfs/dbraw/zinc/34/63/18/460346318.db2.gz MPDDARBSBASLQR-UHFFFAOYSA-N 0 0 344.371 3.222 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000600006334 460369548 /nfs/dbraw/zinc/36/95/48/460369548.db2.gz XAVIVKLKRYZKFP-UHFFFAOYSA-N 0 0 346.362 3.038 10 5 EGBERN C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611505549 460380126 /nfs/dbraw/zinc/38/01/26/460380126.db2.gz CQEBYUKPIPKEKT-JQWIXIFHSA-N 0 0 344.770 3.224 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1F ZINC000611505650 460380614 /nfs/dbraw/zinc/38/06/14/460380614.db2.gz LANOQKYKOJGBMK-GZMMTYOYSA-N 0 0 345.168 3.177 10 5 EGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000600131336 460396721 /nfs/dbraw/zinc/39/67/21/460396721.db2.gz KQGOQZHNBJKCDP-UHFFFAOYSA-N 0 0 339.189 3.229 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600170979 460419479 /nfs/dbraw/zinc/41/94/79/460419479.db2.gz UVFURGJQEWHNCN-VNHYZAJKSA-N 0 0 327.384 3.102 10 5 EGBERN CC(C)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)c(Cl)c1 ZINC000600226614 460449215 /nfs/dbraw/zinc/44/92/15/460449215.db2.gz QSVSZXWVMJMYMQ-UHFFFAOYSA-N 0 0 340.742 3.413 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272581 460462273 /nfs/dbraw/zinc/46/22/73/460462273.db2.gz YTZSLKDHJVQFRL-NEPJUHHUSA-N 0 0 331.397 3.186 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000600378286 460486874 /nfs/dbraw/zinc/48/68/74/460486874.db2.gz LBZZDFZIJXSDOP-HDJSIYSDSA-N 0 0 349.431 3.281 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2(C)C)c1[N+](=O)[O-] ZINC000600431249 460494545 /nfs/dbraw/zinc/49/45/45/460494545.db2.gz UBUGLTKONMDREK-CYBMUJFWSA-N 0 0 346.362 3.174 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)c1[N+](=O)[O-] ZINC000600477815 460502067 /nfs/dbraw/zinc/50/20/67/460502067.db2.gz ZDZPVGPLMCXCOQ-CYBMUJFWSA-N 0 0 346.362 3.174 10 5 EGBERN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600477012 460502401 /nfs/dbraw/zinc/50/24/01/460502401.db2.gz RYFGDFOKSAXPIC-ZDUSSCGKSA-N 0 0 331.347 3.470 10 5 EGBERN C[C@@H](C(=O)NCC(=O)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600485964 460504672 /nfs/dbraw/zinc/50/46/72/460504672.db2.gz FVLZJTUCZHCXMJ-LLVKDONJSA-N 0 0 336.363 3.103 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])C12CC(c3ccccc3)(C1)C2 ZINC000616353947 460536318 /nfs/dbraw/zinc/53/63/18/460536318.db2.gz DARCRJLSQPFSKK-UHFFFAOYSA-N 0 0 336.391 3.375 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCOC2(CCC2)C1 ZINC000601170720 460739785 /nfs/dbraw/zinc/73/97/85/460739785.db2.gz COGIHXQSWJDCMQ-SECBINFHSA-N 0 0 348.325 3.108 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1COCc2ccccc21 ZINC000601175477 460741053 /nfs/dbraw/zinc/74/10/53/460741053.db2.gz PFSFLOHXVHINEQ-JTQLQIEISA-N 0 0 342.277 3.031 10 5 EGBERN CC(C)c1cc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)on1 ZINC000601176137 460741494 /nfs/dbraw/zinc/74/14/94/460741494.db2.gz GOODQVDAWQTZOR-UHFFFAOYSA-N 0 0 343.383 3.444 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(C)(CC(F)(F)F)C1 ZINC000601173387 460741561 /nfs/dbraw/zinc/74/15/61/460741561.db2.gz ZPLQDVODAZDTGZ-UHFFFAOYSA-N 0 0 346.231 3.126 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[C@H]1c1cccnc1 ZINC000601191847 460745756 /nfs/dbraw/zinc/74/57/56/460745756.db2.gz ORFYQHODVOOARH-JQWIXIFHSA-N 0 0 349.188 3.363 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1nc(-c2ccccn2)cs1 ZINC000601191863 460746290 /nfs/dbraw/zinc/74/62/90/460746290.db2.gz QZWWITUOIQAJIV-UHFFFAOYSA-N 0 0 344.400 3.250 10 5 EGBERN CCc1nn(C)c(NCc2nc(-c3ccccn3)cs2)c1[N+](=O)[O-] ZINC000601192680 460747683 /nfs/dbraw/zinc/74/76/83/460747683.db2.gz ZOKRWPQCCTWSPC-UHFFFAOYSA-N 0 0 344.400 3.021 10 5 EGBERN Cc1ccnc(N2CC[C@H](c3ccc4cccnc4n3)C2)c1[N+](=O)[O-] ZINC000601256428 460767185 /nfs/dbraw/zinc/76/71/85/460767185.db2.gz QVWMAULTBZWMOB-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN O=C(N1CC(C(F)(F)F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601259456 460767506 /nfs/dbraw/zinc/76/75/06/460767506.db2.gz VYNXIMVIXYPGTK-UHFFFAOYSA-N 0 0 328.290 3.037 10 5 EGBERN CCn1nc(C)cc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000612958509 460784059 /nfs/dbraw/zinc/78/40/59/460784059.db2.gz WZNJSOQSZHQUJQ-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2[C@@H](c3ccccc3)C2(C)C)n1 ZINC000601375068 460797873 /nfs/dbraw/zinc/79/78/73/460797873.db2.gz QAPSAHANWFFNQO-NEPJUHHUSA-N 0 0 339.355 3.286 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc([C@H]4CCCOC4)no3)CCC2)cc1 ZINC000601373617 460798638 /nfs/dbraw/zinc/79/86/38/460798638.db2.gz CHSPEHCHTHPUII-LBPRGKRZSA-N 0 0 329.356 3.342 10 5 EGBERN CCC1(CO)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601392896 460803175 /nfs/dbraw/zinc/80/31/75/460803175.db2.gz VVDWVDBQMMZGAV-UHFFFAOYSA-N 0 0 346.427 3.028 10 5 EGBERN CC(C)[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601404026 460805476 /nfs/dbraw/zinc/80/54/76/460805476.db2.gz FACSZYAYIOTERK-WBVHZDCISA-N 0 0 346.427 3.336 10 5 EGBERN CC[C@]1(CO)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601471548 460818214 /nfs/dbraw/zinc/81/82/14/460818214.db2.gz DLRYKXCNSFTUAI-SFHVURJKSA-N 0 0 346.427 3.028 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601594997 460841799 /nfs/dbraw/zinc/84/17/99/460841799.db2.gz DQINKGOZJIMRQZ-SJORKVTESA-N 0 0 347.415 3.050 10 5 EGBERN CO[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC000601631966 460852628 /nfs/dbraw/zinc/85/26/28/460852628.db2.gz JMCOVPBOKDMYLX-JKSUJKDBSA-N 0 0 344.411 3.090 10 5 EGBERN Cc1cc(=NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]n1C(C)C ZINC000601645072 460854633 /nfs/dbraw/zinc/85/46/33/460854633.db2.gz RZFKZFQTNUNNJF-UHFFFAOYSA-N 0 0 342.399 3.163 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601726114 460883910 /nfs/dbraw/zinc/88/39/10/460883910.db2.gz FUOIIBHDRXIRNB-KRWDZBQOSA-N 0 0 338.379 3.185 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(CCF)CC1 ZINC000601744979 460888081 /nfs/dbraw/zinc/88/80/81/460888081.db2.gz OPHXBSOJGMXJQK-UHFFFAOYSA-N 0 0 326.393 3.285 10 5 EGBERN C[C@@H](CC1CCCC1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775513 460895228 /nfs/dbraw/zinc/89/52/28/460895228.db2.gz FHZQKQOMMLFWGD-UGSOOPFHSA-N 0 0 334.416 3.135 10 5 EGBERN CCCc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601787146 460897037 /nfs/dbraw/zinc/89/70/37/460897037.db2.gz MMAYUKBCSPSJRB-QGZVFWFLSA-N 0 0 348.424 3.246 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601824114 460912571 /nfs/dbraw/zinc/91/25/71/460912571.db2.gz OHYQEKGXBJBAQF-NSHDSACASA-N 0 0 348.733 3.053 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cnn3c2CCCC3)ccc1[N+](=O)[O-] ZINC000601829416 460913340 /nfs/dbraw/zinc/91/33/40/460913340.db2.gz IBQHHIPGKOQGOE-UHFFFAOYSA-N 0 0 344.371 3.167 10 5 EGBERN O=C(NCC1([C@H]2CCCCO2)CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000601858782 460928417 /nfs/dbraw/zinc/92/84/17/460928417.db2.gz ZFIQZXIGTGXJKC-OAHLLOKOSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000601882067 460934551 /nfs/dbraw/zinc/93/45/51/460934551.db2.gz HPCGKDYNLNFWBV-DLBZAZTESA-N 0 0 343.383 3.154 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601885955 460936956 /nfs/dbraw/zinc/93/69/56/460936956.db2.gz NTFDBZOETLPALF-IRXDYDNUSA-N 0 0 348.399 3.071 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601889437 460937405 /nfs/dbraw/zinc/93/74/05/460937405.db2.gz SEGMTSHFECPLMP-VXGBXAGGSA-N 0 0 328.290 3.084 10 5 EGBERN C[C@@H]1SCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000649172394 462429612 /nfs/dbraw/zinc/42/96/12/462429612.db2.gz FMFSNAPOABBECK-XHDPSFHLSA-N 0 0 338.432 3.305 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000064659129 462716533 /nfs/dbraw/zinc/71/65/33/462716533.db2.gz AIGFMLKHNDZIBH-UHFFFAOYSA-N 0 0 341.371 3.041 10 5 EGBERN CCc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000610070419 469977858 /nfs/dbraw/zinc/97/78/58/469977858.db2.gz IKQYAZCXKJLLRF-UHFFFAOYSA-N 0 0 344.371 3.000 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000175190036 534222827 /nfs/dbraw/zinc/22/28/27/534222827.db2.gz BZQMGIUIBRMUPO-KGLIPLIRSA-N 0 0 331.416 3.456 10 5 EGBERN O=C1O[C@@H](COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC12CCC2 ZINC000187912392 534820682 /nfs/dbraw/zinc/82/06/82/534820682.db2.gz UTCPBEPLHMDFNT-SNVBAGLBSA-N 0 0 345.273 3.478 10 5 EGBERN Cc1cc(O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000010320536 525380537 /nfs/dbraw/zinc/38/05/37/525380537.db2.gz HSXJXDAKXNKAGX-KRWDZBQOSA-N 0 0 344.342 3.441 10 5 EGBERN CCOc1cccc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-] ZINC000184103104 528675600 /nfs/dbraw/zinc/67/56/00/528675600.db2.gz NDACPRQWKZSXLC-GFCCVEGCSA-N 0 0 345.403 3.135 10 5 EGBERN CCOC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000187590023 535748140 /nfs/dbraw/zinc/74/81/40/535748140.db2.gz UJAVAHDLPZQOJE-HNNXBMFYSA-N 0 0 342.417 3.062 10 5 EGBERN CCn1c(COc2ncc(C)cc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000175140792 535985068 /nfs/dbraw/zinc/98/50/68/535985068.db2.gz WWVKUDOKXYEZEI-UHFFFAOYSA-N 0 0 330.319 3.386 10 5 EGBERN CCc1nn(C)c(N[C@H]2CCc3cc(F)c(OC)cc32)c1[N+](=O)[O-] ZINC000337823098 536183120 /nfs/dbraw/zinc/18/31/20/536183120.db2.gz RSPVYTYRIJNVTP-ZDUSSCGKSA-N 0 0 334.351 3.138 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000341254074 536753403 /nfs/dbraw/zinc/75/34/03/536753403.db2.gz BWFAWEDIIGHPQZ-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN C[C@@H]1CSC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672222271 548410961 /nfs/dbraw/zinc/41/09/61/548410961.db2.gz OYRUPSNJTJBBIH-BZNIZROVSA-N 0 0 338.432 3.163 10 5 EGBERN CC[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000726011066 574523347 /nfs/dbraw/zinc/52/33/47/574523347.db2.gz PHZSDGSUANQGLA-CQSZACIVSA-N 0 0 348.355 3.445 10 5 EGBERN COc1cc(C(=O)OCCCOC2CCCCC2)ccc1[N+](=O)[O-] ZINC000726323993 574548407 /nfs/dbraw/zinc/54/84/07/574548407.db2.gz YBVMWGMEAPRADK-UHFFFAOYSA-N 0 0 337.372 3.500 10 5 EGBERN O=C(Nc1ccnn1C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000726863375 574574531 /nfs/dbraw/zinc/57/45/31/574574531.db2.gz QJSKDJBXTMDZCV-UHFFFAOYSA-N 0 0 340.343 3.035 10 5 EGBERN C[C@H]1C[C@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000729089506 574813082 /nfs/dbraw/zinc/81/30/82/574813082.db2.gz VYRCYBCQSHATND-IUCAKERBSA-N 0 0 333.262 3.349 10 5 EGBERN CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)c1ccccc1 ZINC000738599679 574852267 /nfs/dbraw/zinc/85/22/67/574852267.db2.gz XRVASWNWUGJHEH-OAHLLOKOSA-N 0 0 328.324 3.117 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000730353781 574975518 /nfs/dbraw/zinc/97/55/18/574975518.db2.gz ZXFDCHFIXKYFBU-ROUUACIJSA-N 0 0 341.363 3.493 10 5 EGBERN CC(C)C(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000730845687 575027218 /nfs/dbraw/zinc/02/72/18/575027218.db2.gz ICUVKTCPJPHDKR-CYBMUJFWSA-N 0 0 348.399 3.213 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000731030501 575046715 /nfs/dbraw/zinc/04/67/15/575046715.db2.gz RWILEZAMMCBGAA-KRWDZBQOSA-N 0 0 331.347 3.079 10 5 EGBERN CCOc1ncc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1Cl ZINC000732848443 575291968 /nfs/dbraw/zinc/29/19/68/575291968.db2.gz ZCCBRZIKRONAFM-UHFFFAOYSA-N 0 0 342.760 3.460 10 5 EGBERN Cc1c(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)oc2ccccc12 ZINC000734551273 575511498 /nfs/dbraw/zinc/51/14/98/575511498.db2.gz PUYNAWWEHCQEJB-UHFFFAOYSA-N 0 0 339.351 3.470 10 5 EGBERN CC[C@@H]1CCC[C@H](OC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000734722189 575543117 /nfs/dbraw/zinc/54/31/17/575543117.db2.gz JSGWCYLPBVEXLX-OCCSQVGLSA-N 0 0 337.372 3.494 10 5 EGBERN COc1ccc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000741880313 576730686 /nfs/dbraw/zinc/73/06/86/576730686.db2.gz YSQWMBPKYQAQNZ-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)o1 ZINC000742390568 576778097 /nfs/dbraw/zinc/77/80/97/576778097.db2.gz SUZMUHUPQAHKIY-UHFFFAOYSA-N 0 0 337.719 3.410 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000744190427 576822671 /nfs/dbraw/zinc/82/26/71/576822671.db2.gz RZVCELATOVVSKD-APHBMKBZSA-N 0 0 349.383 3.354 10 5 EGBERN C[C@H](NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000007909072 1291094400 /nfs/dbraw/zinc/09/44/00/1291094400.db2.gz ISZSIIFJVKEADP-GUOLPTJISA-N 0 0 340.335 3.214 10 5 EGBERN CN1CCCc2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc21 ZINC000124480460 1293475937 /nfs/dbraw/zinc/47/59/37/1293475937.db2.gz XAJLFIYWLKLSEA-UHFFFAOYSA-N 0 0 329.331 3.369 10 5 EGBERN O=C(OCCC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000157104428 1294169168 /nfs/dbraw/zinc/16/91/68/1294169168.db2.gz GFMMYXYRWQXPCI-UHFFFAOYSA-N 0 0 332.278 3.304 10 5 EGBERN COC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171312680 1294402042 /nfs/dbraw/zinc/40/20/42/1294402042.db2.gz BFGSNZZYYHKHOL-AWEZNQCLSA-N 0 0 334.759 3.366 10 5 EGBERN CCOc1ccc(C(=O)Oc2cccc(COC)c2)cc1[N+](=O)[O-] ZINC000171877268 1294420478 /nfs/dbraw/zinc/42/04/78/1294420478.db2.gz DLTQRQQKASSSDR-UHFFFAOYSA-N 0 0 331.324 3.359 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000178849139 1294759064 /nfs/dbraw/zinc/75/90/64/1294759064.db2.gz JHQAYBJYTFFQDZ-QGZVFWFLSA-N 0 0 349.387 3.180 10 5 EGBERN Cc1noc(C)c1CCC(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC000870699284 1296028024 /nfs/dbraw/zinc/02/80/24/1296028024.db2.gz DNIXFHWKCJMDPZ-UHFFFAOYSA-N 0 0 332.356 3.492 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000870723413 1296044652 /nfs/dbraw/zinc/04/46/52/1296044652.db2.gz AYUBLUFFUJUYLY-MWLCHTKSSA-N 0 0 346.305 3.253 10 5 EGBERN COC(=O)/C(C)=C\COc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000211617525 1296104952 /nfs/dbraw/zinc/10/49/52/1296104952.db2.gz GVQNFUOPZKPBKZ-YWEYNIOJSA-N 0 0 344.161 3.164 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccsc1Cl ZINC000870831214 1296107715 /nfs/dbraw/zinc/10/77/15/1296107715.db2.gz RAFAIORSGPPUSV-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN O=C(NCC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000871026157 1296183891 /nfs/dbraw/zinc/18/38/91/1296183891.db2.gz JMQKLCKOGKLZDF-CQSZACIVSA-N 0 0 349.456 3.211 10 5 EGBERN CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC000871170529 1296258331 /nfs/dbraw/zinc/25/83/31/1296258331.db2.gz QJJYITVDGMOAEZ-LBPRGKRZSA-N 0 0 326.780 3.326 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000871214856 1296279662 /nfs/dbraw/zinc/27/96/62/1296279662.db2.gz UKNIKDDGNPDBDC-UHFFFAOYSA-N 0 0 331.250 3.080 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871577777 1296438515 /nfs/dbraw/zinc/43/85/15/1296438515.db2.gz PNLYDOLEQYONJB-ZDUSSCGKSA-N 0 0 343.383 3.013 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1nccn1CC(F)F ZINC000871838277 1296559982 /nfs/dbraw/zinc/55/99/82/1296559982.db2.gz ZAGMDLRODAWMQU-UHFFFAOYSA-N 0 0 339.346 3.489 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC000872091547 1296730703 /nfs/dbraw/zinc/73/07/03/1296730703.db2.gz JHASIMQAFYBDHQ-NHYWBVRUSA-N 0 0 349.456 3.121 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000872754220 1297094236 /nfs/dbraw/zinc/09/42/36/1297094236.db2.gz YIJIWVNOXOBSHJ-YMTOWFKASA-N 0 0 346.305 3.344 10 5 EGBERN CC(C)(C)[C@@H]1C[C@@H](OC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000873575670 1297600606 /nfs/dbraw/zinc/60/06/06/1297600606.db2.gz SLPIOVOXJRTUAM-GJZGRUSLSA-N 0 0 337.372 3.111 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000873577269 1297601850 /nfs/dbraw/zinc/60/18/50/1297601850.db2.gz ZXGYYWAJAQZMSK-DOMZBBRYSA-N 0 0 337.372 3.354 10 5 EGBERN C[C@H](NC(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000875625219 1298412603 /nfs/dbraw/zinc/41/26/03/1298412603.db2.gz FGMRHMGUGCWYDL-LBPRGKRZSA-N 0 0 329.356 3.133 10 5 EGBERN CC(C)Oc1c(F)cc(NCc2cn(C)nc2[N+](=O)[O-])cc1F ZINC000877303655 1299240345 /nfs/dbraw/zinc/24/03/45/1299240345.db2.gz LJLXZGDKAARYFU-UHFFFAOYSA-N 0 0 326.303 3.006 10 5 EGBERN CCc1ccc(Br)c(NCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000877828422 1299596400 /nfs/dbraw/zinc/59/64/00/1299596400.db2.gz GGBFEFKQLBGWLB-UHFFFAOYSA-N 0 0 339.193 3.265 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000881690874 1301689330 /nfs/dbraw/zinc/68/93/30/1301689330.db2.gz KNDUOXKLCPZYJM-CQSZACIVSA-N 0 0 346.305 3.005 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000882350984 1301930935 /nfs/dbraw/zinc/93/09/35/1301930935.db2.gz MIENYAPGNMFHFO-CQSZACIVSA-N 0 0 346.305 3.081 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000882453594 1301975116 /nfs/dbraw/zinc/97/51/16/1301975116.db2.gz VLEYUVWJVUTTNF-IAQYHMDHSA-N 0 0 331.372 3.011 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000882639669 1302042753 /nfs/dbraw/zinc/04/27/53/1302042753.db2.gz IQCWKCCFGPNHGO-HDICACEKSA-N 0 0 330.384 3.194 10 5 EGBERN CC(=O)c1c(NCc2cccc3c2CCOC3)cccc1[N+](=O)[O-] ZINC000882686718 1302058177 /nfs/dbraw/zinc/05/81/77/1302058177.db2.gz QFZZLXUNJSEMIH-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN CC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3c2ccccc2)c([N+](=O)[O-])c1 ZINC000882722392 1302079743 /nfs/dbraw/zinc/07/97/43/1302079743.db2.gz OBXMCVYLRHJPSV-IRXDYDNUSA-N 0 0 337.379 3.265 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000888117025 1304037007 /nfs/dbraw/zinc/03/70/07/1304037007.db2.gz WXGFUODXOAJBQQ-HNNXBMFYSA-N 0 0 332.400 3.293 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000888277895 1304095940 /nfs/dbraw/zinc/09/59/40/1304095940.db2.gz HUSUTZOVQMARCJ-SNVBAGLBSA-N 0 0 341.795 3.181 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1c2ccccc2CC[C@H]1F ZINC000893724582 1306050008 /nfs/dbraw/zinc/05/00/08/1306050008.db2.gz PJHSVABKYLOVPO-RHSMWYFYSA-N 0 0 347.346 3.059 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000894343335 1306351468 /nfs/dbraw/zinc/35/14/68/1306351468.db2.gz BZCMWPMZUYIFPR-DTORHVGOSA-N 0 0 346.330 3.049 10 5 EGBERN Cc1sc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894667893 1309013849 /nfs/dbraw/zinc/01/38/49/1309013849.db2.gz OOJBEHUBTWQQQD-HNNXBMFYSA-N 0 0 338.429 3.434 10 5 EGBERN COc1ccc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894674312 1309017143 /nfs/dbraw/zinc/01/71/43/1309017143.db2.gz XJUOVVHVDUVMKD-KRWDZBQOSA-N 0 0 348.399 3.073 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894699420 1309026540 /nfs/dbraw/zinc/02/65/40/1309026540.db2.gz FBUPOMFASHMCBB-IAQYHMDHSA-N 0 0 338.791 3.198 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894706484 1309030193 /nfs/dbraw/zinc/03/01/93/1309030193.db2.gz XLKGVYZOSYXHCP-PBHICJAKSA-N 0 0 332.400 3.359 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894734686 1309043074 /nfs/dbraw/zinc/04/30/74/1309043074.db2.gz RSJRTWMUELPZRP-RISCZKNCSA-N 0 0 346.408 3.451 10 5 EGBERN Cc1ccnc(N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895299225 1309274514 /nfs/dbraw/zinc/27/45/14/1309274514.db2.gz RUDJBKBPSAXWLH-UONOGXRCSA-N 0 0 347.415 3.102 10 5 EGBERN C[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000895397029 1309315624 /nfs/dbraw/zinc/31/56/24/1309315624.db2.gz VABUCSIVJNXICO-IACUBPJLSA-N 0 0 329.356 3.147 10 5 EGBERN CC(=O)c1cc(N2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895596348 1309422305 /nfs/dbraw/zinc/42/23/05/1309422305.db2.gz CKEJNUXFMGFNKQ-LBPRGKRZSA-N 0 0 334.319 3.282 10 5 EGBERN CC(=O)c1ccc(N[C@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000895893695 1309583569 /nfs/dbraw/zinc/58/35/69/1309583569.db2.gz ZPKDXJDUVOKBSA-MRXNPFEDSA-N 0 0 342.399 3.297 10 5 EGBERN CC(=O)c1c(NCC[C@@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000896105670 1309701815 /nfs/dbraw/zinc/70/18/15/1309701815.db2.gz PPLUCQOAUIGYHJ-GFCCVEGCSA-N 0 0 333.310 3.092 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(F)(F)F)n(C)n1 ZINC000897238413 1310237202 /nfs/dbraw/zinc/23/72/02/1310237202.db2.gz QRCNZMFZHWVMFJ-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000898387704 1310703478 /nfs/dbraw/zinc/70/34/78/1310703478.db2.gz CROWWPNPIWOBCZ-CYBMUJFWSA-N 0 0 342.399 3.235 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000898402670 1310715273 /nfs/dbraw/zinc/71/52/73/1310715273.db2.gz DMNUDWZQZGKMGB-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898404783 1310718026 /nfs/dbraw/zinc/71/80/26/1310718026.db2.gz BFKXVCLQBQMMET-AWEZNQCLSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1cccc(COCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000857602836 1328560881 /nfs/dbraw/zinc/56/08/81/1328560881.db2.gz NXKXGYGQBWXHOW-UHFFFAOYSA-N 0 0 340.379 3.318 10 5 EGBERN CCn1ncc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000858204252 1328710531 /nfs/dbraw/zinc/71/05/31/1328710531.db2.gz ANDWEBRJZFXIGP-UHFFFAOYSA-N 0 0 343.412 3.225 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858270789 1328726774 /nfs/dbraw/zinc/72/67/74/1328726774.db2.gz MXAVNMHNEXHUIX-MNOVXSKESA-N 0 0 334.401 3.481 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCCS1 ZINC000913384968 1319019943 /nfs/dbraw/zinc/01/99/43/1319019943.db2.gz LAKJMESHVYIZOV-NSHDSACASA-N 0 0 332.784 3.289 10 5 EGBERN COCCC(C)(C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384712 1319020102 /nfs/dbraw/zinc/02/01/02/1319020102.db2.gz CJNZSYDVBPBBNH-UHFFFAOYSA-N 0 0 332.759 3.066 10 5 EGBERN CC(C)COCCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385960 1319020974 /nfs/dbraw/zinc/02/09/74/1319020974.db2.gz DKXHWRNFISSSHD-UHFFFAOYSA-N 0 0 332.759 3.066 10 5 EGBERN C[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000913385846 1319021187 /nfs/dbraw/zinc/02/11/87/1319021187.db2.gz LZNRANYMISMARE-NOZJJQNGSA-N 0 0 344.770 3.209 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)cc1Cl ZINC000913583344 1319063191 /nfs/dbraw/zinc/06/31/91/1319063191.db2.gz LKRJNSLWEOXHCW-VIFPVBQESA-N 0 0 334.763 3.039 10 5 EGBERN C[C@@](CO)(NC(=O)[C@H]1CCC=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000913659722 1319089563 /nfs/dbraw/zinc/08/95/63/1319089563.db2.gz LCPGWVVZCKEMRA-KSSFIOAISA-N 0 0 332.400 3.055 10 5 EGBERN CCOC1CC2(C[C@@H]2NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913813516 1319133913 /nfs/dbraw/zinc/13/39/13/1319133913.db2.gz ZHTIEPYKTYXUMH-RHJSQNMRSA-N 0 0 342.754 3.075 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000858613091 1328809921 /nfs/dbraw/zinc/80/99/21/1328809921.db2.gz SAJBPMIDGYTUIX-GFCCVEGCSA-N 0 0 328.328 3.200 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238808 1319273684 /nfs/dbraw/zinc/27/36/84/1319273684.db2.gz JZOXTXXCQNLUNF-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C)CC(F)(F)C2)c1 ZINC000914358966 1319308899 /nfs/dbraw/zinc/30/88/99/1319308899.db2.gz ZKRZDUIPNABDNX-UHFFFAOYSA-N 0 0 342.342 3.224 10 5 EGBERN O=C1N[C@H](/C=C\c2ccccc2[N+](=O)[O-])Nc2cc(Cl)ccc21 ZINC000914796264 1319379577 /nfs/dbraw/zinc/37/95/77/1319379577.db2.gz SMVRBKGSUNIKER-GTBONMDNSA-N 0 0 329.743 3.443 10 5 EGBERN COC(=O)/C=C\c1ccc(S[C@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000858677382 1328827386 /nfs/dbraw/zinc/82/73/86/1328827386.db2.gz WLUPPFPINYDFDF-SMYYYNMVSA-N 0 0 337.397 3.441 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000858693026 1328831933 /nfs/dbraw/zinc/83/19/33/1328831933.db2.gz DAOMRVDKUAMBGW-CYBMUJFWSA-N 0 0 348.403 3.334 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000858689735 1328832736 /nfs/dbraw/zinc/83/27/36/1328832736.db2.gz JNWVDAFTJJEJKU-VIFPVBQESA-N 0 0 330.262 3.287 10 5 EGBERN CC(=O)c1ccc(OCc2cc(C(F)(F)F)nn2C)c([N+](=O)[O-])c1 ZINC000917347784 1319793383 /nfs/dbraw/zinc/79/33/83/1319793383.db2.gz XSYYBHDUDIKSFF-UHFFFAOYSA-N 0 0 343.261 3.129 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000858759211 1328853692 /nfs/dbraw/zinc/85/36/92/1328853692.db2.gz SDILKGFDOYGKJC-UHFFFAOYSA-N 0 0 343.330 3.409 10 5 EGBERN O=C(O[C@H]1CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000917522272 1319825819 /nfs/dbraw/zinc/82/58/19/1319825819.db2.gz XKYJVYIXSKHSEI-HNNXBMFYSA-N 0 0 341.319 3.210 10 5 EGBERN Cc1nn(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000917732665 1319866459 /nfs/dbraw/zinc/86/64/59/1319866459.db2.gz MUVXFVJTQCUJPQ-SMDDNHRTSA-N 0 0 341.289 3.282 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000858794422 1328862765 /nfs/dbraw/zinc/86/27/65/1328862765.db2.gz IXXIOIJURWFYNV-IDFMNXDXSA-N 0 0 328.821 3.046 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000858845660 1328874869 /nfs/dbraw/zinc/87/48/69/1328874869.db2.gz OVHCJJZTEDKCDM-NEPJUHHUSA-N 0 0 336.392 3.108 10 5 EGBERN CO[C@H]1CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000930768104 1328964261 /nfs/dbraw/zinc/96/42/61/1328964261.db2.gz JLHHGSSNZOTXLO-NEPJUHHUSA-N 0 0 347.293 3.255 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCS[C@H](C)C1 ZINC000930886022 1328995794 /nfs/dbraw/zinc/99/57/94/1328995794.db2.gz YFHVTUXNIIILLL-ZJUUUORDSA-N 0 0 325.390 3.009 10 5 EGBERN CCC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000919032959 1322022389 /nfs/dbraw/zinc/02/23/89/1322022389.db2.gz NAGSFNROZSNBQB-OLZOCXBDSA-N 0 0 348.399 3.356 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC(=O)N2 ZINC000919109523 1322028153 /nfs/dbraw/zinc/02/81/53/1322028153.db2.gz AWRPNNSHBRNAQU-UHFFFAOYSA-N 0 0 346.364 3.288 10 5 EGBERN CCC[C@H](C)N1C[C@@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000919585445 1322082061 /nfs/dbraw/zinc/08/20/61/1322082061.db2.gz UDSPUTWZILHTSW-GUTXKFCHSA-N 0 0 348.399 3.236 10 5 EGBERN CC[C@H](NC(=O)N1CCOC[C@H]1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335663 1322294499 /nfs/dbraw/zinc/29/44/99/1322294499.db2.gz PVTUTFKPJYWWBV-SJORKVTESA-N 0 0 347.415 3.256 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@H]2CC2CC2)cc1[N+](=O)[O-] ZINC000921337920 1322295684 /nfs/dbraw/zinc/29/56/84/1322295684.db2.gz XTRVPNZAKRJSCL-CZUORRHYSA-N 0 0 347.415 3.175 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000921808243 1322401477 /nfs/dbraw/zinc/40/14/77/1322401477.db2.gz ZZJBMCPFGLLQKZ-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1sc(C(=O)OCc2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000922320020 1322500309 /nfs/dbraw/zinc/50/03/09/1322500309.db2.gz LOWYFQPPEFCVSR-UHFFFAOYSA-N 0 0 349.290 3.074 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000923133540 1322698780 /nfs/dbraw/zinc/69/87/80/1322698780.db2.gz STHHAPLUFATXEV-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C1CC1 ZINC000923199239 1322709989 /nfs/dbraw/zinc/70/99/89/1322709989.db2.gz YGOUDXLJEMQMIF-OCCSQVGLSA-N 0 0 325.748 3.107 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000923318864 1322732962 /nfs/dbraw/zinc/73/29/62/1322732962.db2.gz LBIBBEJKISHZOJ-BXKDBHETSA-N 0 0 327.331 3.246 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000923427117 1322749560 /nfs/dbraw/zinc/74/95/60/1322749560.db2.gz RNBGCUIBJMCIGG-CQSZACIVSA-N 0 0 349.383 3.256 10 5 EGBERN C[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)C1CC1 ZINC000923599240 1322779506 /nfs/dbraw/zinc/77/95/06/1322779506.db2.gz RXAZQSOWKVGGNI-SECBINFHSA-N 0 0 325.748 3.092 10 5 EGBERN CC(C)C[C@@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)n1ccnc1 ZINC000923761940 1322804725 /nfs/dbraw/zinc/80/47/25/1322804725.db2.gz XGBZZHHUZRIVPW-HNNXBMFYSA-N 0 0 341.371 3.401 10 5 EGBERN Cc1cc(Cc2noc([C@]34CCO[C@H]3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000923945381 1322852680 /nfs/dbraw/zinc/85/26/80/1322852680.db2.gz GGEREPJOZODVQG-MAUKXSAKSA-N 0 0 343.383 3.478 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCO1 ZINC000923945140 1322852707 /nfs/dbraw/zinc/85/27/07/1322852707.db2.gz ZGUPVRNJZYGMLT-PWSUYJOCSA-N 0 0 335.335 3.185 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000924021899 1322875892 /nfs/dbraw/zinc/87/58/92/1322875892.db2.gz KWEGQAPWQCKLES-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000925039416 1323252990 /nfs/dbraw/zinc/25/29/90/1323252990.db2.gz FRUSIXFBVLJNNU-ZDUSSCGKSA-N 0 0 335.404 3.003 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1([C@H]2CCCCO2)CC1 ZINC000931297890 1329088392 /nfs/dbraw/zinc/08/83/92/1329088392.db2.gz RQBQIOJFUXEDCK-GFCCVEGCSA-N 0 0 339.779 3.471 10 5 EGBERN C[C@@]1(Br)C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860119271 1329151468 /nfs/dbraw/zinc/15/14/68/1329151468.db2.gz UFMPEIHOEBBASX-JOYOIKCWSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCOC12CCCCC2 ZINC000931612018 1329153362 /nfs/dbraw/zinc/15/33/62/1329153362.db2.gz WLRXBMIUFDDQHT-AWEZNQCLSA-N 0 0 337.351 3.347 10 5 EGBERN CCc1cccc2[nH]c(C(=O)OCc3onc(C)c3[N+](=O)[O-])cc21 ZINC000860297091 1329302567 /nfs/dbraw/zinc/30/25/67/1329302567.db2.gz TUCOWDRSGUZXCU-UHFFFAOYSA-N 0 0 329.312 3.292 10 5 EGBERN CC(C)(O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860303023 1329302987 /nfs/dbraw/zinc/30/29/87/1329302987.db2.gz XEWXSNYVKWDUKK-MRXNPFEDSA-N 0 0 328.368 3.124 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000860717354 1329347825 /nfs/dbraw/zinc/34/78/25/1329347825.db2.gz BBHSFRAANZLNEJ-OAHLLOKOSA-N 0 0 342.351 3.281 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860934747 1329370968 /nfs/dbraw/zinc/37/09/68/1329370968.db2.gz HFBVPGPENAERRC-OAHLLOKOSA-N 0 0 330.384 3.227 10 5 EGBERN CC(C)C(=O)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000926881324 1327753498 /nfs/dbraw/zinc/75/34/98/1327753498.db2.gz YCHRVUAWGUNOLB-SFHVURJKSA-N 0 0 340.379 3.220 10 5 EGBERN Cn1ccnc1[C@H](NCCC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926949165 1327790938 /nfs/dbraw/zinc/79/09/38/1327790938.db2.gz JBIDKQYSDCSEDF-QGZVFWFLSA-N 0 0 326.400 3.364 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069761 1329385093 /nfs/dbraw/zinc/38/50/93/1329385093.db2.gz WHLCTZFBXWLYLE-NMSKTSORSA-N 0 0 327.768 3.182 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927295156 1327961472 /nfs/dbraw/zinc/96/14/72/1327961472.db2.gz SSBZCESNDBKMLC-LBPRGKRZSA-N 0 0 332.253 3.101 10 5 EGBERN CSC1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000927384601 1327997280 /nfs/dbraw/zinc/99/72/80/1327997280.db2.gz LMOHSAXBRBSFNJ-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN CSC1CCC(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000927386810 1327998338 /nfs/dbraw/zinc/99/83/38/1327998338.db2.gz LSDATZDGRMQSGA-UHFFFAOYSA-N 0 0 337.445 3.137 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927427864 1328022277 /nfs/dbraw/zinc/02/22/77/1328022277.db2.gz CCGQZWWIAKSFJV-CJNGLKHVSA-N 0 0 333.388 3.230 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2c(s1)CCC2 ZINC000927655287 1328092116 /nfs/dbraw/zinc/09/21/16/1328092116.db2.gz WSMHSQBZTDTSOK-PKNBQFBNSA-N 0 0 343.408 3.260 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928146013 1328216516 /nfs/dbraw/zinc/21/65/16/1328216516.db2.gz RWUHXYFGJBTYHZ-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000928247041 1328254545 /nfs/dbraw/zinc/25/45/45/1328254545.db2.gz OHDUYRIEPBFHOA-CHWSQXEVSA-N 0 0 344.367 3.248 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)n1 ZINC000928389638 1328303938 /nfs/dbraw/zinc/30/39/38/1328303938.db2.gz WGHIIYPRMXDYLQ-ZFWWWQNUSA-N 0 0 342.399 3.220 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000928601725 1328369515 /nfs/dbraw/zinc/36/95/15/1328369515.db2.gz FLAMUINCGNKAPD-GFCCVEGCSA-N 0 0 343.383 3.200 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C2CC2)O1 ZINC000861430716 1329417569 /nfs/dbraw/zinc/41/75/69/1329417569.db2.gz FFERBPCOBCHWLO-XIKOKIGWSA-N 0 0 340.379 3.388 10 5 EGBERN CCO[C@@H]1C[C@H]1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443701 1329418418 /nfs/dbraw/zinc/41/84/18/1329418418.db2.gz FRCRZCXNEOTLPM-IJLUTSLNSA-N 0 0 333.262 3.166 10 5 EGBERN Cc1cn(C)nc1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445884 1329418913 /nfs/dbraw/zinc/41/89/13/1329418913.db2.gz PKRUTVLLEUBBHY-GFCCVEGCSA-N 0 0 343.261 3.097 10 5 EGBERN O=C(/C=C\[C@@H]1CCCO1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446185 1329418917 /nfs/dbraw/zinc/41/89/17/1329418917.db2.gz SMTXQROECKDUDF-SMFNXNMFSA-N 0 0 345.273 3.477 10 5 EGBERN C[C@@H](CN1C(=O)N[C@H](c2cccs2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929001188 1328486905 /nfs/dbraw/zinc/48/69/05/1328486905.db2.gz GTULRUFRDVBINO-IINYFYTJSA-N 0 0 345.380 3.053 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000929118566 1328509787 /nfs/dbraw/zinc/50/97/87/1328509787.db2.gz PTQIVHCSEVMOCQ-CQSZACIVSA-N 0 0 329.360 3.006 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc([N+](=O)[O-])c1 ZINC000861635527 1329433560 /nfs/dbraw/zinc/43/35/60/1329433560.db2.gz NADODQOWDRSEIM-SECBINFHSA-N 0 0 331.284 3.003 10 5 EGBERN C[C@@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861680585 1329436022 /nfs/dbraw/zinc/43/60/22/1329436022.db2.gz WHKQWXSUOJYCLA-TZMCWYRMSA-N 0 0 328.368 3.150 10 5 EGBERN CC(C)(O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861931525 1329451232 /nfs/dbraw/zinc/45/12/32/1329451232.db2.gz GGYYHVONASOMNF-UHFFFAOYSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H](O)CC12CCC2 ZINC000862017600 1329455573 /nfs/dbraw/zinc/45/55/73/1329455573.db2.gz DJILRLOLFNRZGA-HNNXBMFYSA-N 0 0 340.379 3.268 10 5 EGBERN C[C@@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862133399 1329460970 /nfs/dbraw/zinc/46/09/70/1329460970.db2.gz PMLANWZQYWNURP-LBPRGKRZSA-N 0 0 328.368 3.293 10 5 EGBERN CC(C)(CCC(=O)N1CCc2cc(C(F)(F)F)ccc2C1)[N+](=O)[O-] ZINC000863107877 1329528997 /nfs/dbraw/zinc/52/89/97/1329528997.db2.gz CAAYVEHIMMIKAA-UHFFFAOYSA-N 0 0 344.333 3.426 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C(=O)OC(C)(C)C ZINC000863376374 1329550407 /nfs/dbraw/zinc/55/04/07/1329550407.db2.gz YIOIVHSWZCOJHG-VAWYXSNFSA-N 0 0 348.399 3.235 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000863775971 1329580345 /nfs/dbraw/zinc/58/03/45/1329580345.db2.gz QCAUIVUCLBJZTC-NSHDSACASA-N 0 0 335.379 3.110 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000863817110 1329583656 /nfs/dbraw/zinc/58/36/56/1329583656.db2.gz HEQISEVANVPBOR-OTDNITJGSA-N 0 0 346.412 3.418 10 5 EGBERN CN1C(=O)/C(=C/c2ccnn2CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000865225968 1329677712 /nfs/dbraw/zinc/67/77/12/1329677712.db2.gz NARNRSXJNCJUML-CXUHLZMHSA-N 0 0 338.367 3.108 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CC2(CO1)CCOCC2 ZINC000865346373 1329687748 /nfs/dbraw/zinc/68/77/48/1329687748.db2.gz LHXWXAQESPBQPA-LBPRGKRZSA-N 0 0 327.764 3.213 10 5 EGBERN Cc1cc(OC[C@@H]2CC3(CO2)CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000865363876 1329688993 /nfs/dbraw/zinc/68/89/93/1329688993.db2.gz WQUYXTDMDXQYDX-LBPRGKRZSA-N 0 0 325.336 3.007 10 5 EGBERN CO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2C(F)F)n1 ZINC000865581013 1329716237 /nfs/dbraw/zinc/71/62/37/1329716237.db2.gz HSDQUHOMRFXAHZ-MRVPVSSYSA-N 0 0 342.302 3.259 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2nnc3n2CCCC3)c(C(F)F)c1 ZINC000865671539 1329727801 /nfs/dbraw/zinc/72/78/01/1329727801.db2.gz FEWOWCHQMKBVEG-UHFFFAOYSA-N 0 0 337.330 3.115 10 5 EGBERN Cc1cc(Nc2cc(F)c([N+](=O)[O-])cc2CO)nn1[C@H](C)C1CC1 ZINC000865671320 1329727808 /nfs/dbraw/zinc/72/78/08/1329727808.db2.gz YHAXJWMWSXPZPV-SNVBAGLBSA-N 0 0 334.351 3.446 10 5 EGBERN Cc1ccccc1[C@H](O)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000865797844 1329739418 /nfs/dbraw/zinc/73/94/18/1329739418.db2.gz MWTQSSDVYJYPME-QGZVFWFLSA-N 0 0 345.374 3.387 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865851643 1329745555 /nfs/dbraw/zinc/74/55/55/1329745555.db2.gz OIOFQNCONXXWLO-MEDUHNTESA-N 0 0 326.368 3.089 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC1CC(N2CCOCC2)C1 ZINC000865901256 1329750409 /nfs/dbraw/zinc/75/04/09/1329750409.db2.gz QCAOTEWVRZMZEC-UHFFFAOYSA-N 0 0 346.214 3.177 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1F ZINC000865971498 1329755637 /nfs/dbraw/zinc/75/56/37/1329755637.db2.gz AXDSMTRJWOKDOE-CWRNSKLLSA-N 0 0 342.370 3.466 10 5 EGBERN CCC[C@H](O)CCCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000866033369 1329760380 /nfs/dbraw/zinc/76/03/80/1329760380.db2.gz MUNGUZXUBUHQJY-LBPRGKRZSA-N 0 0 347.458 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1OC(F)F ZINC000866045287 1330058996 /nfs/dbraw/zinc/05/89/96/1330058996.db2.gz MQFMDSCMXWZPJJ-LIHPDXLKSA-N 0 0 326.299 3.032 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cccc2c1CCOC2 ZINC000866091627 1330064557 /nfs/dbraw/zinc/06/45/57/1330064557.db2.gz APLWFXYWYZDCJD-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN CCC(=O)c1ccc(NC[C@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC000866176261 1330073937 /nfs/dbraw/zinc/07/39/37/1330073937.db2.gz SKPLAYIMEBIJLS-CQSZACIVSA-N 0 0 348.399 3.185 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(C)(F)F ZINC000866186046 1330075283 /nfs/dbraw/zinc/07/52/83/1330075283.db2.gz PBFMUCLPLTXTKB-UHFFFAOYSA-N 0 0 329.303 3.019 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1c2ccccc2CN1C ZINC000866194312 1330076452 /nfs/dbraw/zinc/07/64/52/1330076452.db2.gz HUULTYHDSQZXJD-SFHVURJKSA-N 0 0 327.384 3.340 10 5 EGBERN COc1cc(NC[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000866194073 1330076488 /nfs/dbraw/zinc/07/64/88/1330076488.db2.gz GJEXTAVJUCXSJS-MRXNPFEDSA-N 0 0 343.383 3.211 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000866200650 1330077523 /nfs/dbraw/zinc/07/75/23/1330077523.db2.gz JYJBAXJWAZQZPG-AOOOYVTPSA-N 0 0 341.205 3.014 10 5 EGBERN CC[C@H](NC(=O)Cc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000866371674 1330103136 /nfs/dbraw/zinc/10/31/36/1330103136.db2.gz AGCALDFZULLEGO-AWEZNQCLSA-N 0 0 333.775 3.453 10 5 EGBERN Cn1cc(C(F)F)c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000866564741 1330127786 /nfs/dbraw/zinc/12/77/86/1330127786.db2.gz AMKOOOVDZIXDOA-CQSZACIVSA-N 0 0 336.342 3.433 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000866943914 1330159862 /nfs/dbraw/zinc/15/98/62/1330159862.db2.gz NTIXGUPCUWLABK-FTYKPCCVSA-N 0 0 329.356 3.337 10 5 EGBERN CC(C)(CCc1noc(-c2ccc3c(c2)OC(C)(C)C3)n1)[N+](=O)[O-] ZINC000867016178 1330165933 /nfs/dbraw/zinc/16/59/33/1330165933.db2.gz LTYUOJUEWJDHLZ-UHFFFAOYSA-N 0 0 331.372 3.438 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000867289467 1330191207 /nfs/dbraw/zinc/19/12/07/1330191207.db2.gz MZGBZFJCGASRAZ-ZDUSSCGKSA-N 0 0 349.387 3.235 10 5 EGBERN Cc1c(CNC(=O)C2([C@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000867732391 1330217579 /nfs/dbraw/zinc/21/75/79/1330217579.db2.gz CSDACYJTROZWNC-MRXNPFEDSA-N 0 0 332.400 3.259 10 5 EGBERN Cc1csc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000868205302 1330261920 /nfs/dbraw/zinc/26/19/20/1330261920.db2.gz YCAFNCITCLQBBC-NSHDSACASA-N 0 0 334.401 3.229 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000868342906 1330272298 /nfs/dbraw/zinc/27/22/98/1330272298.db2.gz ZSKNGMLOHSPKOW-AEGPPILISA-N 0 0 349.456 3.359 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000868776878 1330341319 /nfs/dbraw/zinc/34/13/19/1330341319.db2.gz OPKAVLSWPYKZBW-CQSZACIVSA-N 0 0 327.331 3.138 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000868849516 1330359665 /nfs/dbraw/zinc/35/96/65/1330359665.db2.gz KFXBRTZMMJWRJD-UHFFFAOYSA-N 0 0 330.306 3.217 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000868956521 1330381166 /nfs/dbraw/zinc/38/11/66/1330381166.db2.gz WMWNFWXEUGDPNI-CQSZACIVSA-N 0 0 332.335 3.079 10 5 EGBERN Cc1ncc(CN(C)C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000869053145 1330403158 /nfs/dbraw/zinc/40/31/58/1330403158.db2.gz IUWISQMOUSPBJX-UHFFFAOYSA-N 0 0 334.401 3.010 10 5 EGBERN Cc1ccc(CNC(=O)N2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000869055095 1330404617 /nfs/dbraw/zinc/40/46/17/1330404617.db2.gz PUZBWSYCFXRQOY-AWEZNQCLSA-N 0 0 347.415 3.004 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000869352319 1330470839 /nfs/dbraw/zinc/47/08/39/1330470839.db2.gz DWLFOZGEANRMND-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN Cc1cc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)ccn1 ZINC000869810545 1330568488 /nfs/dbraw/zinc/56/84/88/1330568488.db2.gz IRTVWDFEUPOJCR-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN Cc1c(COC(=O)c2cn3c(n2)C[C@@H](C)CC3)cccc1[N+](=O)[O-] ZINC000869858367 1330577747 /nfs/dbraw/zinc/57/77/47/1330577747.db2.gz YTMWCJFYGWQZQC-NSHDSACASA-N 0 0 329.356 3.039 10 5 EGBERN Cn1cc(Br)cc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001323118750 1387295203 /nfs/dbraw/zinc/29/52/03/1387295203.db2.gz LEETXFVCETWANH-UHFFFAOYSA-N 0 0 349.144 3.413 10 5 EGBERN Cc1nc(CC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)sc1C ZINC001323416473 1387365979 /nfs/dbraw/zinc/36/59/79/1387365979.db2.gz KFSJDAIDTIZZBX-UHFFFAOYSA-N 0 0 331.397 3.108 10 5 EGBERN COc1ccc(F)c(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001323743028 1387440049 /nfs/dbraw/zinc/44/00/49/1387440049.db2.gz QXCMHMBVJISNNX-UHFFFAOYSA-N 0 0 331.303 3.290 10 5 EGBERN COc1cccc2c1OC[C@H](Nc1cc(C)c([N+](=O)[O-])cc1F)C2 ZINC001185254360 1387659950 /nfs/dbraw/zinc/65/99/50/1387659950.db2.gz UJJHQJYKTQKRNJ-GFCCVEGCSA-N 0 0 332.331 3.467 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CSCCS1)CCCC2 ZINC001185611141 1387760714 /nfs/dbraw/zinc/76/07/14/1387760714.db2.gz CGTIGKJWSWRKPZ-LLVKDONJSA-N 0 0 325.459 3.129 10 5 EGBERN C[C@@H](Cc1cccs1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001185639334 1387766436 /nfs/dbraw/zinc/76/64/36/1387766436.db2.gz INZYMSJWXWCLTA-QMMMGPOBSA-N 0 0 348.350 3.476 10 5 EGBERN Cc1cc(NC[C@@H]2CCCCS2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185907066 1387825820 /nfs/dbraw/zinc/82/58/20/1387825820.db2.gz ZIJKQJHANWSBMV-HNNXBMFYSA-N 0 0 344.440 3.480 10 5 EGBERN Cc1ccc(C=O)c(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC001190037544 1367158877 /nfs/dbraw/zinc/15/88/77/1367158877.db2.gz LIHBJNVLWSKDTD-UHFFFAOYSA-N 0 0 339.307 3.345 10 5 EGBERN CCOc1ccc(Br)cc1CN(CC[N+](=O)[O-])C1CC1 ZINC001190873319 1367372467 /nfs/dbraw/zinc/37/24/67/1367372467.db2.gz TWWVMVVFBVWDIB-UHFFFAOYSA-N 0 0 343.221 3.089 10 5 EGBERN COC(=O)c1cccc2c1CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001191937586 1367644577 /nfs/dbraw/zinc/64/45/77/1367644577.db2.gz CQLQGYVPQBOWDI-UHFFFAOYSA-N 0 0 344.342 3.473 10 5 EGBERN Cn1cc([C@@H](NCc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC001193346881 1368005354 /nfs/dbraw/zinc/00/53/54/1368005354.db2.gz ZBDRRKLKNJXGCD-SFHVURJKSA-N 0 0 340.358 3.347 10 5 EGBERN CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC001195612795 1368460608 /nfs/dbraw/zinc/46/06/08/1368460608.db2.gz GFWLNYMBAMVIMW-UHFFFAOYSA-N 0 0 338.404 3.157 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](F)C[C@H]2C(F)(F)F)cc1 ZINC001198761814 1369107764 /nfs/dbraw/zinc/10/77/64/1369107764.db2.gz QZXMIAUDEVHCGE-GWCFXTLKSA-N 0 0 336.285 3.338 10 5 EGBERN CCOc1cc(N(C)C[C@@]2(O)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001186789476 1388009324 /nfs/dbraw/zinc/00/93/24/1388009324.db2.gz CPFRUPZVWCZKHP-IBGZPJMESA-N 0 0 342.395 3.264 10 5 EGBERN COc1cc(CCNc2nc3ccc([N+](=O)[O-])cc3s2)ccn1 ZINC001187249093 1388081213 /nfs/dbraw/zinc/08/12/13/1388081213.db2.gz YOLJRAVHGVJHKF-UHFFFAOYSA-N 0 0 330.369 3.263 10 5 EGBERN Cc1cc(N2CCN(Cc3ccc(O)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187380866 1388101250 /nfs/dbraw/zinc/10/12/50/1388101250.db2.gz WSWIIXAWEYGITK-UHFFFAOYSA-N 0 0 345.374 3.070 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC001118455767 1371184243 /nfs/dbraw/zinc/18/42/43/1371184243.db2.gz ZHQVULHINPQQMU-LLVKDONJSA-N 0 0 344.161 3.082 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001118720256 1371215575 /nfs/dbraw/zinc/21/55/75/1371215575.db2.gz HVAYUJZSOPWGLS-MXWKQRLJSA-N 0 0 335.310 3.240 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001119637456 1371380986 /nfs/dbraw/zinc/38/09/86/1371380986.db2.gz VUYJKSPOXXSVDS-JOYOIKCWSA-N 0 0 345.321 3.328 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001119710350 1371392411 /nfs/dbraw/zinc/39/24/11/1371392411.db2.gz XBAQHEAASYKSJV-IFXJQAMLSA-N 0 0 337.379 3.050 10 5 EGBERN C[C@H](CNC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1[N+](=O)[O-] ZINC001119893271 1371417892 /nfs/dbraw/zinc/41/78/92/1371417892.db2.gz WTDVPMPUZIWGMQ-SNVBAGLBSA-N 0 0 345.321 3.483 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1c(F)cccc1OC ZINC001187753069 1388155113 /nfs/dbraw/zinc/15/51/13/1388155113.db2.gz ZJNAMENAWPFVDG-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN COC(=O)CC1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCCC1 ZINC001187799229 1388165355 /nfs/dbraw/zinc/16/53/55/1388165355.db2.gz POWGZISIWUYHKY-UHFFFAOYSA-N 0 0 343.383 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1[nH]cnc1C(F)(F)F ZINC001123145803 1372387851 /nfs/dbraw/zinc/38/78/51/1372387851.db2.gz WYMQFRRSDPCTMQ-UHFFFAOYSA-N 0 0 343.261 3.311 10 5 EGBERN CC1(C)C[C@H](COC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001123374456 1372446054 /nfs/dbraw/zinc/44/60/54/1372446054.db2.gz BWUOWJZLFNXLJP-UHOFOFEASA-N 0 0 333.384 3.447 10 5 EGBERN O=C(Oc1cccc(F)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001124314847 1372690881 /nfs/dbraw/zinc/69/08/81/1372690881.db2.gz HQCVYCCTBJOYSV-UHFFFAOYSA-N 0 0 333.271 3.114 10 5 EGBERN O=C(Nc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001124320000 1372691573 /nfs/dbraw/zinc/69/15/73/1372691573.db2.gz ZCDHEYMPBYTHMG-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC001124396258 1372698488 /nfs/dbraw/zinc/69/84/88/1372698488.db2.gz HEHBHJAEMGJMNU-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC001124516884 1372708410 /nfs/dbraw/zinc/70/84/10/1372708410.db2.gz KINDMYAZJUOFHL-UHFFFAOYSA-N 0 0 333.296 3.119 10 5 EGBERN O=C(c1ccc(F)c2cccnc12)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124642168 1372718594 /nfs/dbraw/zinc/71/85/94/1372718594.db2.gz HQUUIBFDJTZFDL-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cncc(Cl)c1 ZINC001125075102 1372751765 /nfs/dbraw/zinc/75/17/65/1372751765.db2.gz FBFGRKGMOKTIIO-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN CCC1CCC(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001125275422 1372765718 /nfs/dbraw/zinc/76/57/18/1372765718.db2.gz RTFJFMPOPUYBCV-UHFFFAOYSA-N 0 0 334.372 3.270 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1C ZINC001125282174 1372765964 /nfs/dbraw/zinc/76/59/64/1372765964.db2.gz BWBDBBXLGUSTSG-UHFFFAOYSA-N 0 0 346.408 3.434 10 5 EGBERN O=C(Cc1ccc2cccnc2c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001125311688 1372769271 /nfs/dbraw/zinc/76/92/71/1372769271.db2.gz QDMCORBLQMBICM-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)n1ccc(C(F)(F)F)n1 ZINC001125338071 1372771707 /nfs/dbraw/zinc/77/17/07/1372771707.db2.gz OTYYTZKJHADWQF-SSDOTTSWSA-N 0 0 346.240 3.149 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOc2c(F)cccc21 ZINC001125407039 1372782818 /nfs/dbraw/zinc/78/28/18/1372782818.db2.gz PWWZJTKTKZCBES-LLVKDONJSA-N 0 0 334.278 3.378 10 5 EGBERN CCOc1c(Cl)cccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC001125471098 1372792563 /nfs/dbraw/zinc/79/25/63/1372792563.db2.gz DPEBHKQIJSQRSO-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN COc1cc(C(=O)N(C)c2cc(F)ccc2F)c([N+](=O)[O-])cc1F ZINC001125510618 1372798652 /nfs/dbraw/zinc/79/86/52/1372798652.db2.gz YIWARHKSGFSARW-UHFFFAOYSA-N 0 0 340.257 3.297 10 5 EGBERN Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c1 ZINC001126054340 1372921903 /nfs/dbraw/zinc/92/19/03/1372921903.db2.gz BXXPVCJHNJWTII-CYBMUJFWSA-N 0 0 327.384 3.276 10 5 EGBERN CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001126113514 1372937040 /nfs/dbraw/zinc/93/70/40/1372937040.db2.gz LJXOIDVDDOASFH-DOTOQJQBSA-N 0 0 345.399 3.125 10 5 EGBERN COc1ccc2cc(C(=O)NCc3cccc([N+](=O)[O-])c3)cnc2c1 ZINC001126173037 1372945978 /nfs/dbraw/zinc/94/59/78/1372945978.db2.gz RSXWIBZBVQJHLI-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)nc1 ZINC001126317950 1372956940 /nfs/dbraw/zinc/95/69/40/1372956940.db2.gz JBZQLDTXPSAPJN-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ncc2ccccn21 ZINC001126952868 1373056916 /nfs/dbraw/zinc/05/69/16/1373056916.db2.gz LOVVAGDIFMAKKM-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001326558560 1388240009 /nfs/dbraw/zinc/24/00/09/1388240009.db2.gz CKNMLPJOBNKHOJ-UHFFFAOYSA-N 0 0 328.372 3.122 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2)n1 ZINC001127239967 1373106816 /nfs/dbraw/zinc/10/68/16/1373106816.db2.gz SJLINQRJJKUQOT-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)CO2 ZINC001127356243 1373117871 /nfs/dbraw/zinc/11/78/71/1373117871.db2.gz UNACWXTTZFGOLN-UHFFFAOYSA-N 0 0 329.283 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1OCCC2=O ZINC001127371410 1373121069 /nfs/dbraw/zinc/12/10/69/1373121069.db2.gz QBMBEAWFBICLTC-UHFFFAOYSA-N 0 0 340.335 3.429 10 5 EGBERN O=C(OCc1cncs1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001127527483 1373135473 /nfs/dbraw/zinc/13/54/73/1373135473.db2.gz CJOHAFQRAJIXDN-UHFFFAOYSA-N 0 0 332.259 3.427 10 5 EGBERN Cc1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001127615649 1373148898 /nfs/dbraw/zinc/14/88/98/1373148898.db2.gz KEGXGTJJKOLPHS-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC[C@H](OC(=O)[C@H]1Cc2cccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC001127711913 1373165933 /nfs/dbraw/zinc/16/59/33/1373165933.db2.gz VLLLGXLIUAWUJL-YOEHRIQHSA-N 0 0 326.352 3.399 10 5 EGBERN O=C(C[C@H]1CSCCS1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864908 1373192388 /nfs/dbraw/zinc/19/23/88/1373192388.db2.gz XPWQZCWLXZOOSV-JTQLQIEISA-N 0 0 349.437 3.320 10 5 EGBERN Cc1ccn2cnc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c2c1 ZINC001127962699 1373204629 /nfs/dbraw/zinc/20/46/29/1373204629.db2.gz JWCDLQVBHALLHF-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN Cc1cc2scc(CC(=O)Nc3c([N+](=O)[O-])cnn3C)c2s1 ZINC001128217068 1373236068 /nfs/dbraw/zinc/23/60/68/1373236068.db2.gz OLSAAIGOWHOETF-UHFFFAOYSA-N 0 0 336.398 3.094 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1scc2c1OCCO2 ZINC001128305496 1373249792 /nfs/dbraw/zinc/24/97/92/1373249792.db2.gz QHZDUPNHFGLDHM-UHFFFAOYSA-N 0 0 338.316 3.127 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001128322415 1373251321 /nfs/dbraw/zinc/25/13/21/1373251321.db2.gz YTNOLOLNFUEIJB-CLFYSBASSA-N 0 0 340.314 3.273 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001128321699 1373251360 /nfs/dbraw/zinc/25/13/60/1373251360.db2.gz QEZQRDJIVHCPAB-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CSc1ccc2ccccc2c1 ZINC001128321581 1373251383 /nfs/dbraw/zinc/25/13/83/1373251383.db2.gz PFVOGLQRQCSEJO-UHFFFAOYSA-N 0 0 342.380 3.212 10 5 EGBERN CC(C)Oc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC001128360237 1373256716 /nfs/dbraw/zinc/25/67/16/1373256716.db2.gz VXZGCAOLEFWCGW-UHFFFAOYSA-N 0 0 347.346 3.487 10 5 EGBERN Cc1cc(OCC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001128468263 1373273652 /nfs/dbraw/zinc/27/36/52/1373273652.db2.gz DFHYDQJDVDDQMP-SNPRPXQTSA-N 0 0 334.416 3.471 10 5 EGBERN COc1cc(C(=O)N(C)c2ccc(Cl)nc2)cc([N+](=O)[O-])c1C ZINC001128480133 1373275491 /nfs/dbraw/zinc/27/54/91/1373275491.db2.gz OUUAQAZWLSHVCF-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN COCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC001128651779 1373300342 /nfs/dbraw/zinc/30/03/42/1373300342.db2.gz ZQBOXLNCCSKKGI-MOIQIXESSA-N 0 0 346.427 3.362 10 5 EGBERN Cc1ncccc1/C=C/C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001128863135 1373318188 /nfs/dbraw/zinc/31/81/88/1373318188.db2.gz DACCZZQYJNFEOV-MDZDMXLPSA-N 0 0 325.368 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3NC(=O)C2(C)C)c1 ZINC001129153166 1373354022 /nfs/dbraw/zinc/35/40/22/1373354022.db2.gz RECZLTGVPDHXIR-UHFFFAOYSA-N 0 0 339.351 3.281 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CSc2ccccc21 ZINC001129182136 1373357565 /nfs/dbraw/zinc/35/75/65/1373357565.db2.gz BLPFPBYSOJLWKE-CYBMUJFWSA-N 0 0 328.393 3.143 10 5 EGBERN CC(C)(NC(=O)c1csc(Cl)n1)c1ccccc1[N+](=O)[O-] ZINC001129286601 1373368718 /nfs/dbraw/zinc/36/87/18/1373368718.db2.gz MPQBQTJDRRFXDE-UHFFFAOYSA-N 0 0 325.777 3.370 10 5 EGBERN CC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001129348128 1373373738 /nfs/dbraw/zinc/37/37/38/1373373738.db2.gz QRUIWOTZZIZQJH-UHFFFAOYSA-N 0 0 335.297 3.019 10 5 EGBERN CC(C)Oc1ncccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129398972 1373380329 /nfs/dbraw/zinc/38/03/29/1373380329.db2.gz XXQAILFJKBKKOI-UHFFFAOYSA-N 0 0 343.383 3.442 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H]1CCOC(C)(C)C1 ZINC001129502067 1373391154 /nfs/dbraw/zinc/39/11/54/1373391154.db2.gz VYLJRNFAUZODTC-GFCCVEGCSA-N 0 0 338.379 3.462 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC001129777534 1373422456 /nfs/dbraw/zinc/42/24/56/1373422456.db2.gz XCLMPESJVZBWBV-OAHLLOKOSA-N 0 0 339.351 3.107 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC001129777533 1373422458 /nfs/dbraw/zinc/42/24/58/1373422458.db2.gz XCLMPESJVZBWBV-HNNXBMFYSA-N 0 0 339.351 3.107 10 5 EGBERN CC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1C ZINC001130239627 1373477568 /nfs/dbraw/zinc/47/75/68/1373477568.db2.gz ZKFLSXLTRKISIW-UHFFFAOYSA-N 0 0 343.295 3.266 10 5 EGBERN CCc1ccc(C(=O)NCc2cccc(C)c2OC)cc1[N+](=O)[O-] ZINC001130282992 1373484700 /nfs/dbraw/zinc/48/47/00/1373484700.db2.gz WAMOIPRPTWUNAK-UHFFFAOYSA-N 0 0 328.368 3.404 10 5 EGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001130397452 1373519356 /nfs/dbraw/zinc/51/93/56/1373519356.db2.gz VHEADQZXCQDQLJ-VXGQWTEUSA-N 0 0 332.400 3.305 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001130522831 1373555457 /nfs/dbraw/zinc/55/54/57/1373555457.db2.gz BBCJRUJYQGQTNO-MRXNPFEDSA-N 0 0 332.331 3.380 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cn2ccccc2n1 ZINC001130755931 1373588488 /nfs/dbraw/zinc/58/84/88/1373588488.db2.gz JLPRLMJIIGEUJO-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761059 1373588920 /nfs/dbraw/zinc/58/89/20/1373588920.db2.gz DMFOYARSOKYXLS-PWSUYJOCSA-N 0 0 327.340 3.087 10 5 EGBERN Cc1ccc2[nH]c(-c3ccccc3NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2c1 ZINC001130770779 1373590128 /nfs/dbraw/zinc/59/01/28/1373590128.db2.gz OOXJGWBRAGSYBL-MLGOLLRUSA-N 0 0 336.351 3.142 10 5 EGBERN CN(CC(=O)Oc1ccc(OC2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001130892919 1373604603 /nfs/dbraw/zinc/60/46/03/1373604603.db2.gz XOGSIOXIWBRMEK-UHFFFAOYSA-N 0 0 342.351 3.178 10 5 EGBERN CC(=O)c1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC001131051767 1373633365 /nfs/dbraw/zinc/63/33/65/1373633365.db2.gz NKXWRCLATBHFNR-UHFFFAOYSA-N 0 0 344.279 3.233 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC001131257532 1373670816 /nfs/dbraw/zinc/67/08/16/1373670816.db2.gz QMAVCGPZYZSSRY-HNNXBMFYSA-N 0 0 348.362 3.198 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC001131836513 1373830124 /nfs/dbraw/zinc/83/01/24/1373830124.db2.gz WLWHPERYZSYWNG-UHFFFAOYSA-N 0 0 326.255 3.028 10 5 EGBERN O=C(c1c2ccccc2cc2ccccc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001326780185 1388307786 /nfs/dbraw/zinc/30/77/86/1388307786.db2.gz FDYNBISYKIUEJK-JOCHJYFZSA-N 0 0 344.414 3.345 10 5 EGBERN O=C(COc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC001188685029 1388360570 /nfs/dbraw/zinc/36/05/70/1388360570.db2.gz SUEKCOTVEUFPMO-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2ncsc2Br)c1 ZINC001188692013 1388361950 /nfs/dbraw/zinc/36/19/50/1388361950.db2.gz GMMINRGXIUPOMF-UHFFFAOYSA-N 0 0 343.158 3.205 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc3ccc(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001132636883 1375492939 /nfs/dbraw/zinc/49/29/39/1375492939.db2.gz BCRYECHGWCVRPH-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC001132637319 1375493237 /nfs/dbraw/zinc/49/32/37/1375493237.db2.gz MSUYSWQIVDPYQQ-INIZCTEOSA-N 0 0 340.379 3.312 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC001228724206 1375652912 /nfs/dbraw/zinc/65/29/12/1375652912.db2.gz ZTDMAAWXSRNXHE-WOSRLPQWSA-N 0 0 337.420 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133479253 1376033264 /nfs/dbraw/zinc/03/32/64/1376033264.db2.gz DSAZCPXVYCTCSN-JTQLQIEISA-N 0 0 345.311 3.003 10 5 EGBERN C[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001133654486 1376140788 /nfs/dbraw/zinc/14/07/88/1376140788.db2.gz LELWWTOJSZLDTH-SECBINFHSA-N 0 0 338.285 3.432 10 5 EGBERN Cc1cncc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001133686159 1376155456 /nfs/dbraw/zinc/15/54/56/1376155456.db2.gz VDCFMSFRSOMBAX-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001230822614 1376158865 /nfs/dbraw/zinc/15/88/65/1376158865.db2.gz VLJSTPMEIAVICM-AEAUEXCSSA-N 0 0 349.431 3.405 10 5 EGBERN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133706234 1376166803 /nfs/dbraw/zinc/16/68/03/1376166803.db2.gz IFWMLZSWCULAJM-NWDGAFQWSA-N 0 0 332.331 3.379 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@]2(=O)CCc3ccccc32)c1C ZINC001134012311 1376311882 /nfs/dbraw/zinc/31/18/82/1376311882.db2.gz LARVYSUCSMQZSJ-DEOSSOPVSA-N 0 0 344.392 3.435 10 5 EGBERN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134055565 1376335639 /nfs/dbraw/zinc/33/56/39/1376335639.db2.gz BLWVMVZAMOKLGJ-CYBMUJFWSA-N 0 0 339.823 3.051 10 5 EGBERN NC(=O)c1cc(NC(=O)c2ccccc2C2CCC2)ccc1[N+](=O)[O-] ZINC001134358124 1376492600 /nfs/dbraw/zinc/49/26/00/1376492600.db2.gz NUCGOWWNQNXWKU-UHFFFAOYSA-N 0 0 339.351 3.214 10 5 EGBERN O=C(NC[C@H]1CCCC2(CCC2)O1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001134381643 1376503278 /nfs/dbraw/zinc/50/32/78/1376503278.db2.gz HETOEEMXPKMKKB-CQSZACIVSA-N 0 0 338.791 3.470 10 5 EGBERN CSCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001134442383 1376539552 /nfs/dbraw/zinc/53/95/52/1376539552.db2.gz TXWAAMLASKOHFL-UHFFFAOYSA-N 0 0 326.393 3.258 10 5 EGBERN C[C@@H](CNC(=O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001134495348 1376568806 /nfs/dbraw/zinc/56/88/06/1376568806.db2.gz IDJIZXWQBRBDNG-LBPRGKRZSA-N 0 0 332.331 3.033 10 5 EGBERN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001134501449 1376571218 /nfs/dbraw/zinc/57/12/18/1376571218.db2.gz MUNPZLLUIJNDSH-JTQLQIEISA-N 0 0 347.302 3.176 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CSC[C@@]2(C)C1 ZINC001134595592 1376618530 /nfs/dbraw/zinc/61/85/30/1376618530.db2.gz CVZHTQKCSXDRPI-RLFYNMQTSA-N 0 0 348.468 3.375 10 5 EGBERN COc1c(F)nccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001134624463 1376630234 /nfs/dbraw/zinc/63/02/34/1376630234.db2.gz KNOVGMKWQQKEGZ-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC001135495261 1377118391 /nfs/dbraw/zinc/11/83/91/1377118391.db2.gz VODMSIIPENBVHG-JDNHERCYSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC001135495259 1377118694 /nfs/dbraw/zinc/11/86/94/1377118694.db2.gz VODMSIIPENBVHG-ABKXIKBNSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cnc1Br ZINC001135504321 1377121998 /nfs/dbraw/zinc/12/19/98/1377121998.db2.gz KDLGNVURUUIPSL-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cn1cc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cn1 ZINC001135972709 1377282599 /nfs/dbraw/zinc/28/25/99/1377282599.db2.gz JJCRQGUBALVIRF-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN CCCC(C)(C)NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001136463491 1377395921 /nfs/dbraw/zinc/39/59/21/1377395921.db2.gz QIJVNCYWWQKZIY-UHFFFAOYSA-N 0 0 344.209 3.248 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001136487971 1377398961 /nfs/dbraw/zinc/39/89/61/1377398961.db2.gz BCZXVKZIOUBXPM-FRRDWIJNSA-N 0 0 334.420 3.010 10 5 EGBERN CCC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC001136680829 1377414844 /nfs/dbraw/zinc/41/48/44/1377414844.db2.gz VJKAGLMNWIQMOZ-ZDUSSCGKSA-N 0 0 348.790 3.497 10 5 EGBERN O=C(c1ccc(O)cc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840435 1377428924 /nfs/dbraw/zinc/42/89/24/1377428924.db2.gz QBMDZGXRWGMLHQ-INIZCTEOSA-N 0 0 348.355 3.327 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC001137167836 1377489430 /nfs/dbraw/zinc/48/94/30/1377489430.db2.gz XHYPDPCWTIXZNS-ZDUSSCGKSA-N 0 0 345.321 3.418 10 5 EGBERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137187982 1377493612 /nfs/dbraw/zinc/49/36/12/1377493612.db2.gz NBPYFZIRIALESA-IUODEOHRSA-N 0 0 325.368 3.195 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001139547287 1377902983 /nfs/dbraw/zinc/90/29/83/1377902983.db2.gz ZSHSEBXKOYZJEG-PWSUYJOCSA-N 0 0 348.790 3.298 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC001140132748 1378015444 /nfs/dbraw/zinc/01/54/44/1378015444.db2.gz NKJNCCJOQGTYAD-UHFFFAOYSA-N 0 0 327.315 3.058 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001141513902 1378337265 /nfs/dbraw/zinc/33/72/65/1378337265.db2.gz GSBRQHJGGWRTQI-AWEZNQCLSA-N 0 0 347.321 3.263 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC/C=C/c1cccnc1 ZINC001141578060 1378345966 /nfs/dbraw/zinc/34/59/66/1378345966.db2.gz DPIPCTNWAOFPAQ-HWKANZROSA-N 0 0 345.786 3.405 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001143093602 1378538301 /nfs/dbraw/zinc/53/83/01/1378538301.db2.gz XVYHMLDIPPSZDP-JTQLQIEISA-N 0 0 333.319 3.182 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])[nH]n2)o1 ZINC001143435939 1378597223 /nfs/dbraw/zinc/59/72/23/1378597223.db2.gz VUIXNWVXAIFVRO-UHFFFAOYSA-N 0 0 326.312 3.447 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc(C)c(C(C)=O)c2)cc1[N+](=O)[O-] ZINC001143668530 1378633171 /nfs/dbraw/zinc/63/31/71/1378633171.db2.gz CNRUUARUHNDKDY-UHFFFAOYSA-N 0 0 327.340 3.400 10 5 EGBERN COc1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3N)sc21 ZINC001143690778 1378635459 /nfs/dbraw/zinc/63/54/59/1378635459.db2.gz FEPISBVIFYOXGE-UHFFFAOYSA-N 0 0 344.352 3.048 10 5 EGBERN O=C(C[C@H]1OCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327585185 1388563074 /nfs/dbraw/zinc/56/30/74/1388563074.db2.gz HPQMBXJJGHRSKS-GOSISDBHSA-N 0 0 338.363 3.141 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2c[nH]c3cccc(C)c23)n1 ZINC001144113727 1378683761 /nfs/dbraw/zinc/68/37/61/1378683761.db2.gz RLBDVUBLKYVPPE-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN CCCCN(C)c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001144735246 1378766483 /nfs/dbraw/zinc/76/64/83/1378766483.db2.gz DHXIIXNFAXMVSO-UHFFFAOYSA-N 0 0 343.387 3.061 10 5 EGBERN CO[C@]1(C)C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001147882275 1379096985 /nfs/dbraw/zinc/09/69/85/1379096985.db2.gz VCIUUKYTKRKXCI-XHDPSFHLSA-N 0 0 344.770 3.321 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC001147951155 1379101631 /nfs/dbraw/zinc/10/16/31/1379101631.db2.gz DZBAKEFSKIMJQH-OAHLLOKOSA-N 0 0 344.392 3.440 10 5 EGBERN C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001148721901 1379253254 /nfs/dbraw/zinc/25/32/54/1379253254.db2.gz ZJBYDFNLDYADGK-BDJLRTHQSA-N 0 0 348.786 3.143 10 5 EGBERN O=C(Nc1cccc(-c2nnsc2Cl)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001149290545 1379359643 /nfs/dbraw/zinc/35/96/43/1379359643.db2.gz JYJFEEWNIAWPQA-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(-c2nnc([C@H]3CCCO3)o2)c1 ZINC001327882775 1388614417 /nfs/dbraw/zinc/61/44/17/1388614417.db2.gz VBYPYYGREZSOSS-SNVBAGLBSA-N 0 0 327.243 3.098 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC001151124070 1379663663 /nfs/dbraw/zinc/66/36/63/1379663663.db2.gz CUNGXJUDQCUNJF-CYBMUJFWSA-N 0 0 326.312 3.012 10 5 EGBERN C/C(Cl)=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153488648 1380083988 /nfs/dbraw/zinc/08/39/88/1380083988.db2.gz FEHJNZRLTDAAQF-QPJJXVBHSA-N 0 0 333.569 3.116 10 5 EGBERN COc1cc(C)cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC001153494892 1380084491 /nfs/dbraw/zinc/08/44/91/1380084491.db2.gz MCPTVCVHHVNSLJ-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@H]1c1ncccn1 ZINC001153913212 1380154139 /nfs/dbraw/zinc/15/41/39/1380154139.db2.gz YAOREDWIUYZCBQ-AWEZNQCLSA-N 0 0 346.774 3.406 10 5 EGBERN CC(C)C1(C)CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001154825063 1380359231 /nfs/dbraw/zinc/35/92/31/1380359231.db2.gz FOUUGLDGCONKDR-UHFFFAOYSA-N 0 0 333.432 3.316 10 5 EGBERN COc1ccccc1C1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)CC1 ZINC001158225638 1381165942 /nfs/dbraw/zinc/16/59/42/1381165942.db2.gz YOLAUTPADMSWGN-UHFFFAOYSA-N 0 0 341.367 3.164 10 5 EGBERN Cc1ccc(NC(=O)c2coc3cc(O)ccc23)c(N)c1[N+](=O)[O-] ZINC001158230826 1381168565 /nfs/dbraw/zinc/16/85/65/1381168565.db2.gz BBHRRHANDRBBIR-UHFFFAOYSA-N 0 0 327.296 3.190 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC001158973709 1381491719 /nfs/dbraw/zinc/49/17/19/1381491719.db2.gz QSFSUJRITOYPIG-NVXWUHKLSA-N 0 0 336.432 3.176 10 5 EGBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001288488837 1381838233 /nfs/dbraw/zinc/83/82/33/1381838233.db2.gz ZADDWMSDJOLHMO-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(NCCOc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001159919829 1381937241 /nfs/dbraw/zinc/93/72/41/1381937241.db2.gz VVHJHVPXOSNXSV-UHFFFAOYSA-N 0 0 344.154 3.039 10 5 EGBERN Cc1c(C(=O)NCCCc2ccsc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001289852163 1382013933 /nfs/dbraw/zinc/01/39/33/1382013933.db2.gz XAOGJFYMGDFXIY-UHFFFAOYSA-N 0 0 349.368 3.236 10 5 EGBERN CNc1nccc(C(=O)NCc2ccc3sccc3c2)c1[N+](=O)[O-] ZINC001160672822 1382167342 /nfs/dbraw/zinc/16/73/42/1382167342.db2.gz LPYZMZBPUAIEKS-UHFFFAOYSA-N 0 0 342.380 3.176 10 5 EGBERN Cn1c2ccccc2sc1=NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001160768641 1382190612 /nfs/dbraw/zinc/19/06/12/1382190612.db2.gz YIORIYPNOXWRBD-UHFFFAOYSA-N 0 0 331.328 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)c2ccccc2)cc1Cl ZINC001293620731 1382317368 /nfs/dbraw/zinc/31/73/68/1382317368.db2.gz NIKPLDGHPDKZSI-KRWDZBQOSA-N 0 0 348.786 3.194 10 5 EGBERN CC/C=C/Cn1c(CC)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001293708311 1382345494 /nfs/dbraw/zinc/34/54/94/1382345494.db2.gz VLHBPJDSWNWZAG-RMKNXTFCSA-N 0 0 329.404 3.351 10 5 EGBERN Nc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001161332302 1382372839 /nfs/dbraw/zinc/37/28/39/1382372839.db2.gz BGBPMXZMPUOPSA-UHFFFAOYSA-N 0 0 331.759 3.070 10 5 EGBERN COCc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161486502 1382421042 /nfs/dbraw/zinc/42/10/42/1382421042.db2.gz AYMCVSBHNCWSEL-HZPDHXFCSA-N 0 0 342.351 3.189 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(F)cccc1NC1CC1 ZINC001294311345 1382439896 /nfs/dbraw/zinc/43/98/96/1382439896.db2.gz ZYKBLHXQVZKARQ-UHFFFAOYSA-N 0 0 330.319 3.143 10 5 EGBERN Cc1ccccc1-c1nnc(Sc2cc[nH]c(=O)c2[N+](=O)[O-])o1 ZINC001162004766 1382596544 /nfs/dbraw/zinc/59/65/44/1382596544.db2.gz ZCAKAUMSFMBYTA-UHFFFAOYSA-N 0 0 330.325 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)COc2c(C)cccc2C)c1 ZINC001162252403 1382688893 /nfs/dbraw/zinc/68/88/93/1382688893.db2.gz ZMNSMJOGNJECBS-OAHLLOKOSA-N 0 0 330.384 3.372 10 5 EGBERN Cc1ccsc1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001162297607 1382725043 /nfs/dbraw/zinc/72/50/43/1382725043.db2.gz QWAQFMJEXOUFIC-UHFFFAOYSA-N 0 0 329.381 3.429 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH]c(=O)c1 ZINC001162322898 1382728876 /nfs/dbraw/zinc/72/88/76/1382728876.db2.gz LJFIMCKDGGVWSY-UHFFFAOYSA-N 0 0 347.396 3.046 10 5 EGBERN CCOC(=O)c1cc(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)cn1C ZINC001162773248 1382868159 /nfs/dbraw/zinc/86/81/59/1382868159.db2.gz BPRUVZKQJYBVRT-UHFFFAOYSA-N 0 0 348.359 3.036 10 5 EGBERN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001162800233 1382876363 /nfs/dbraw/zinc/87/63/63/1382876363.db2.gz DLCRRMTZUSKJMX-UHFFFAOYSA-N 0 0 328.250 3.003 10 5 EGBERN COC(=O)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCCCC1 ZINC001163025545 1382950713 /nfs/dbraw/zinc/95/07/13/1382950713.db2.gz JOGMALPLLVYIDX-UHFFFAOYSA-N 0 0 343.383 3.100 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccc(F)cc1 ZINC001163025586 1382950886 /nfs/dbraw/zinc/95/08/86/1382950886.db2.gz KUSNQXLBSYGAGW-CQSZACIVSA-N 0 0 335.722 3.215 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001296349673 1382972674 /nfs/dbraw/zinc/97/26/74/1382972674.db2.gz IUVFTIUQSCBESA-HUUCEWRRSA-N 0 0 342.351 3.441 10 5 EGBERN COc1cc(C)nc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001163334876 1383025201 /nfs/dbraw/zinc/02/52/01/1383025201.db2.gz OHDJZKIDMZORQM-CQSZACIVSA-N 0 0 328.372 3.086 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1COc2ccccc21 ZINC001163437726 1383051560 /nfs/dbraw/zinc/05/15/60/1383051560.db2.gz VWBJKTJZZHERQR-LLVKDONJSA-N 0 0 339.326 3.292 10 5 EGBERN CN(CC(=O)N1CCC[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001296975450 1383101627 /nfs/dbraw/zinc/10/16/27/1383101627.db2.gz XZKCPHKFRRCCHA-CQSZACIVSA-N 0 0 333.432 3.316 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001296991509 1383102990 /nfs/dbraw/zinc/10/29/90/1383102990.db2.gz VSVUVADUTQLTJW-BMFZPTHFSA-N 0 0 334.416 3.002 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(c1ccc(C)cc1[N+](=O)[O-])CC2 ZINC001163733846 1383116366 /nfs/dbraw/zinc/11/63/66/1383116366.db2.gz OLZHSZPDSJDDAQ-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2c[nH]c3cc(F)c(Cl)cc23)nc1 ZINC001163857774 1383130037 /nfs/dbraw/zinc/13/00/37/1383130037.db2.gz TZCPJIYMJWYMJS-UHFFFAOYSA-N 0 0 335.726 3.313 10 5 EGBERN COc1cccc2[nH]cc(CCNc3c(Cl)cncc3[N+](=O)[O-])c21 ZINC001164108586 1383157182 /nfs/dbraw/zinc/15/71/82/1383157182.db2.gz JMNONNLKAIYTIG-UHFFFAOYSA-N 0 0 346.774 3.210 10 5 EGBERN O=[N+]([O-])c1c(NCC[C@H]2OCCc3ccccc32)nc2sccn21 ZINC001164221458 1383167574 /nfs/dbraw/zinc/16/75/74/1383167574.db2.gz YVKYYBNZMUXOSD-CYBMUJFWSA-N 0 0 344.396 3.420 10 5 EGBERN COC(=O)CC1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCCC1 ZINC001164288327 1383174697 /nfs/dbraw/zinc/17/46/97/1383174697.db2.gz PNQULYCVKJAWGP-UHFFFAOYSA-N 0 0 347.415 3.404 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)c1sccc1Cl ZINC001165702139 1383327846 /nfs/dbraw/zinc/32/78/46/1383327846.db2.gz IBBFSEUQFHKCBF-UHFFFAOYSA-N 0 0 333.152 3.008 10 5 EGBERN Cc1nn(Cc2c(Cl)cncc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC001165747297 1383338232 /nfs/dbraw/zinc/33/82/32/1383338232.db2.gz XKNFZMNHYRIQDK-UHFFFAOYSA-N 0 0 338.154 3.398 10 5 EGBERN Cc1noc(COc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC001165926609 1383365993 /nfs/dbraw/zinc/36/59/93/1383365993.db2.gz XIOGXKWUNYVCBZ-UHFFFAOYSA-N 0 0 331.097 3.372 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1F)c1ccc(F)cc1F ZINC001166211879 1383402739 /nfs/dbraw/zinc/40/27/39/1383402739.db2.gz OLWMHYILAANGEQ-UHFFFAOYSA-N 0 0 329.205 3.413 10 5 EGBERN CCc1ccccc1CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001166413414 1383419705 /nfs/dbraw/zinc/41/97/05/1383419705.db2.gz MHHMCQWXLAFKPV-UHFFFAOYSA-N 0 0 326.396 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC001299236096 1383491173 /nfs/dbraw/zinc/49/11/73/1383491173.db2.gz QGFXVVQKRWEWOW-DEOSSOPVSA-N 0 0 347.396 3.499 10 5 EGBERN Cc1ccc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1[N+](=O)[O-] ZINC001166938616 1383501892 /nfs/dbraw/zinc/50/18/92/1383501892.db2.gz DQLHDIGSYCLBAK-UHFFFAOYSA-N 0 0 346.295 3.162 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c(N)c([N+](=O)[O-])c1 ZINC001300207220 1383652736 /nfs/dbraw/zinc/65/27/36/1383652736.db2.gz ZDRSJLHETWYRSW-RYSNWHEDSA-N 0 0 331.416 3.430 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001301323737 1383709162 /nfs/dbraw/zinc/70/91/62/1383709162.db2.gz PJCNRMGOJCNSDL-UHFFFAOYSA-N 0 0 344.343 3.011 10 5 EGBERN CN(CC(=O)N1CCC[C@H](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001302877218 1383771472 /nfs/dbraw/zinc/77/14/72/1383771472.db2.gz KLCJFYHPEGRGOB-INIZCTEOSA-N 0 0 345.443 3.460 10 5 EGBERN CN(CC(=O)N1CCC[C@@H](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001302877219 1383771830 /nfs/dbraw/zinc/77/18/30/1383771830.db2.gz KLCJFYHPEGRGOB-MRXNPFEDSA-N 0 0 345.443 3.460 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC001302897381 1383772121 /nfs/dbraw/zinc/77/21/21/1383772121.db2.gz FJAAYXMGOSCAFL-SNVBAGLBSA-N 0 0 340.339 3.269 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001303301529 1383792503 /nfs/dbraw/zinc/79/25/03/1383792503.db2.gz ZAFCNLPGNJZQCT-MRVPVSSYSA-N 0 0 338.161 3.176 10 5 EGBERN COC(=O)CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC001304015402 1383821176 /nfs/dbraw/zinc/82/11/76/1383821176.db2.gz HEEKUQOFCNRXMN-UHFFFAOYSA-N 0 0 348.399 3.289 10 5 EGBERN Cc1ncccc1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001304760943 1383853513 /nfs/dbraw/zinc/85/35/13/1383853513.db2.gz PZNGBEFQFCXAKS-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC001306858361 1383910820 /nfs/dbraw/zinc/91/08/20/1383910820.db2.gz DMPRSOXDALIVJL-ZFWWWQNUSA-N 0 0 346.770 3.196 10 5 EGBERN CCc1cccc2c(CCNc3cc[nH]c(=O)c3[N+](=O)[O-])c[nH]c21 ZINC001306964212 1383927277 /nfs/dbraw/zinc/92/72/77/1383927277.db2.gz AUPVKRGCDXBYCZ-UHFFFAOYSA-N 0 0 326.356 3.394 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)CC(C)(C)C ZINC001306970826 1383927947 /nfs/dbraw/zinc/92/79/47/1383927947.db2.gz YPHBJZGRFZGHKC-SNVBAGLBSA-N 0 0 344.795 3.244 10 5 EGBERN Cc1nnc([C@@H](C)Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])o1 ZINC001307000303 1383931887 /nfs/dbraw/zinc/93/18/87/1383931887.db2.gz YCFWUBUJOOAQIX-SSDOTTSWSA-N 0 0 333.735 3.083 10 5 EGBERN C[Si](C)(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001307099245 1383940514 /nfs/dbraw/zinc/94/05/14/1383940514.db2.gz XSIKFTLJDZUUAT-UHFFFAOYSA-N 0 0 331.404 3.070 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCc2nc[nH]c2C1 ZINC001307135065 1383943791 /nfs/dbraw/zinc/94/37/91/1383943791.db2.gz VHSOYUYDJICUBF-UHFFFAOYSA-N 0 0 329.747 3.082 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001307146684 1383945315 /nfs/dbraw/zinc/94/53/15/1383945315.db2.gz WKRMHTQGAOQALM-NEPJUHHUSA-N 0 0 336.392 3.094 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC001307149531 1383946148 /nfs/dbraw/zinc/94/61/48/1383946148.db2.gz LZLMVUCJDDHKLZ-TZMCWYRMSA-N 0 0 347.415 3.429 10 5 EGBERN CCCOC(=O)C[C@@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC001307159359 1383947373 /nfs/dbraw/zinc/94/73/73/1383947373.db2.gz CSZKZDLEOOAKTC-NSHDSACASA-N 0 0 329.422 3.469 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cccc1C(F)(F)F ZINC001307185770 1383952648 /nfs/dbraw/zinc/95/26/48/1383952648.db2.gz MISZOTUUJILENW-XTKTYJBNSA-N 0 0 328.290 3.449 10 5 EGBERN CCOC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001307222022 1383959756 /nfs/dbraw/zinc/95/97/56/1383959756.db2.gz HBTPBVRNYPQASO-SECBINFHSA-N 0 0 332.278 3.003 10 5 EGBERN O=C1Nc2ccc(F)cc2C2(CN(c3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC001307226645 1383961171 /nfs/dbraw/zinc/96/11/71/1383961171.db2.gz BNVQDIPBPDBUNH-UHFFFAOYSA-N 0 0 347.277 3.151 10 5 EGBERN O=c1cc(COc2ccc([N+](=O)[O-])cc2F)nc(-c2ccccc2)[nH]1 ZINC001307290965 1383967428 /nfs/dbraw/zinc/96/74/28/1383967428.db2.gz KNNNFFVBQWPFQO-UHFFFAOYSA-N 0 0 341.298 3.476 10 5 EGBERN Cc1nn(Cc2nccc(Cl)c2Cl)c2ncc([N+](=O)[O-])cc12 ZINC001307310358 1383970365 /nfs/dbraw/zinc/97/03/65/1383970365.db2.gz RMMJXUKBWAJSEK-UHFFFAOYSA-N 0 0 338.154 3.398 10 5 EGBERN COC(=O)[C@H]1CCCC[C@@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001307324911 1383971855 /nfs/dbraw/zinc/97/18/55/1383971855.db2.gz OVSFHMCXKIPMOK-PBHICJAKSA-N 0 0 343.383 3.438 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1ccc(C(F)F)cc1 ZINC001307341013 1383974452 /nfs/dbraw/zinc/97/44/52/1383974452.db2.gz NUXCYHRIDKBBHU-UHFFFAOYSA-N 0 0 337.307 3.352 10 5 EGBERN O=c1cc(CN2CCc3ccc([N+](=O)[O-])cc32)nc(-c2ccccc2)[nH]1 ZINC001169022712 1384092439 /nfs/dbraw/zinc/09/24/39/1384092439.db2.gz CEGFUJHADQFTQB-UHFFFAOYSA-N 0 0 348.362 3.320 10 5 EGBERN C=Cc1ccc(S(=O)(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1 ZINC001309345551 1384178435 /nfs/dbraw/zinc/17/84/35/1384178435.db2.gz CENZJZNWYCRFDD-UHFFFAOYSA-N 0 0 344.392 3.298 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001313238340 1384404715 /nfs/dbraw/zinc/40/47/15/1384404715.db2.gz QDLDCCGYGIUJQM-ZOWXZIJZSA-N 0 0 347.371 3.060 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCOC ZINC001313683523 1384430637 /nfs/dbraw/zinc/43/06/37/1384430637.db2.gz DDBSMBPTHYTPPA-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN Cc1ccc(N(C)CCNC(=O)[C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001316594203 1384463130 /nfs/dbraw/zinc/46/31/30/1384463130.db2.gz QSLSTNQRIPMJNQ-CTYIDZIISA-N 0 0 333.432 3.282 10 5 EGBERN CCc1ccsc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001317471804 1385166474 /nfs/dbraw/zinc/16/64/74/1385166474.db2.gz NVZBNPKGKPHZRV-UHFFFAOYSA-N 0 0 347.440 3.081 10 5 EGBERN O=C(NCc1cc2cnccc2o1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001175161896 1385209642 /nfs/dbraw/zinc/20/96/42/1385209642.db2.gz USLQQYGTCRUFLR-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cc2cnccc2o1 ZINC001175437628 1385288561 /nfs/dbraw/zinc/28/85/61/1385288561.db2.gz MCQKTYNKTRMFNO-SECBINFHSA-N 0 0 329.287 3.366 10 5 EGBERN CC(C)c1nsc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC001177128610 1385824794 /nfs/dbraw/zinc/82/47/94/1385824794.db2.gz OAEUSAFHZPUHKH-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001319071268 1385952727 /nfs/dbraw/zinc/95/27/27/1385952727.db2.gz OHGOCPLPIYVLEE-NSHDSACASA-N 0 0 346.314 3.226 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](OC)c2ccc(F)cc2)c1 ZINC001319997803 1386443398 /nfs/dbraw/zinc/44/33/98/1386443398.db2.gz SEDSSCWBQPAGFK-INIZCTEOSA-N 0 0 348.330 3.320 10 5 EGBERN Cc1ccc2oc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)cc2n1 ZINC001179875513 1386614700 /nfs/dbraw/zinc/61/47/00/1386614700.db2.gz YXMGVCQXMJQCRH-UHFFFAOYSA-N 0 0 326.312 3.187 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC001329585465 1389166592 /nfs/dbraw/zinc/16/65/92/1389166592.db2.gz COIMNIKQBASOHG-DFHBCGBQSA-N 0 0 332.400 3.231 10 5 EGBERN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001330304774 1389383463 /nfs/dbraw/zinc/38/34/63/1389383463.db2.gz LZSOXVPIFXTPEZ-HNNXBMFYSA-N 0 0 342.399 3.080 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330704644 1389503206 /nfs/dbraw/zinc/50/32/06/1389503206.db2.gz OLNUONJLJVWZLI-DVVUODLYSA-N 0 0 341.314 3.159 10 5 EGBERN C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001338412926 1389678359 /nfs/dbraw/zinc/67/83/59/1389678359.db2.gz VRVNJMZQLYZJPL-VXGBXAGGSA-N 0 0 340.807 3.207 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](Nc2ncccn2)C1 ZINC001332078971 1389970655 /nfs/dbraw/zinc/97/06/55/1389970655.db2.gz NLECYMNGXCHSCN-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN C[C@@H](NCCC(=O)N1CCC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233424 1390058040 /nfs/dbraw/zinc/05/80/40/1390058040.db2.gz XGCPNQAQTLKOPK-CHWSQXEVSA-N 0 0 337.395 3.033 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccsc3[C@H]2C)c1 ZINC001333698773 1390377403 /nfs/dbraw/zinc/37/74/03/1390377403.db2.gz QKVXZFFYGNCACR-SNVBAGLBSA-N 0 0 332.381 3.424 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C)c1C ZINC001341785884 1390529572 /nfs/dbraw/zinc/52/95/72/1390529572.db2.gz RFGDCWUXXAWJHA-UHFFFAOYSA-N 0 0 328.372 3.263 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCCc1cncs1 ZINC001344037900 1390751735 /nfs/dbraw/zinc/75/17/35/1390751735.db2.gz QSBHVILGEUVZOX-UHFFFAOYSA-N 0 0 338.360 3.299 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001345278168 1390853207 /nfs/dbraw/zinc/85/32/07/1390853207.db2.gz FWNDYEMLSKHPHR-WDEREUQCSA-N 0 0 349.309 3.012 10 5 EGBERN COc1ccc(NC(=O)N2CCC3(CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001345744691 1390882648 /nfs/dbraw/zinc/88/26/48/1390882648.db2.gz CCBOKJQLOBMNMB-UHFFFAOYSA-N 0 0 349.387 3.170 10 5 EGBERN Cc1cc(NC(=O)N[C@H]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC001345841985 1390888821 /nfs/dbraw/zinc/88/88/21/1390888821.db2.gz CZSLFIRVMXBNQX-HNNXBMFYSA-N 0 0 333.388 3.374 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001346104164 1390907710 /nfs/dbraw/zinc/90/77/10/1390907710.db2.gz STZQHXZIBOHUHR-XYPHTWIQSA-N 0 0 347.415 3.399 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001347716627 1391114752 /nfs/dbraw/zinc/11/47/52/1391114752.db2.gz NVHUAZUOBVPDKY-GJZGRUSLSA-N 0 0 349.387 3.169 10 5 EGBERN C[C@@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001348036579 1391163907 /nfs/dbraw/zinc/16/39/07/1391163907.db2.gz TWDCHFFBAYWXHS-RHSMWYFYSA-N 0 0 342.395 3.328 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCCO1 ZINC001348253612 1391192405 /nfs/dbraw/zinc/19/24/05/1391192405.db2.gz FYGYWMHULNUELL-DZGCQCFKSA-N 0 0 338.791 3.422 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cc1 ZINC001348439668 1391219712 /nfs/dbraw/zinc/21/97/12/1391219712.db2.gz WKMWPMPAHVMINS-INIZCTEOSA-N 0 0 343.314 3.174 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001348697792 1391253713 /nfs/dbraw/zinc/25/37/13/1391253713.db2.gz RLCNSQWWLWDCGD-UONOGXRCSA-N 0 0 326.308 3.066 10 5 EGBERN Cc1cc(N2CC[C@@H](Nc3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001349067257 1391300526 /nfs/dbraw/zinc/30/05/26/1391300526.db2.gz CLWNGIULZRWTNC-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN CCc1ccc(C(=O)N=c2sc3ccccc3n2C)cc1[N+](=O)[O-] ZINC001349653815 1391349535 /nfs/dbraw/zinc/34/95/35/1391349535.db2.gz KDWHBUVBJHRAKE-UHFFFAOYSA-N 0 0 341.392 3.452 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001349885936 1391380906 /nfs/dbraw/zinc/38/09/06/1391380906.db2.gz LZACVTVFRMMFNR-MRXNPFEDSA-N 0 0 330.340 3.238 10 5 EGBERN Cc1ccc(NC(=O)c2ncc3cc(Cl)ccn32)cc1[N+](=O)[O-] ZINC001350450501 1391466496 /nfs/dbraw/zinc/46/64/96/1391466496.db2.gz FELLWBDFNIOWOX-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)c([N+](=O)[O-])c1 ZINC001350451343 1391466808 /nfs/dbraw/zinc/46/68/08/1391466808.db2.gz SNCDGWPJZJYZSA-UHFFFAOYSA-N 0 0 348.295 3.104 10 5 EGBERN CN1c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C(C)(C)C1=O ZINC001350451909 1391467054 /nfs/dbraw/zinc/46/70/54/1391467054.db2.gz YBFAXEKLKQFELZ-UHFFFAOYSA-N 0 0 339.351 3.101 10 5 EGBERN Cc1cc(C)c(OC(=O)C(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC001350585828 1391484545 /nfs/dbraw/zinc/48/45/45/1391484545.db2.gz CZBAVXKHVXMVIR-UHFFFAOYSA-N 0 0 331.299 3.447 10 5 EGBERN COc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001350812772 1391537403 /nfs/dbraw/zinc/53/74/03/1391537403.db2.gz BXTFOJBBOSCNNO-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN C[C@@H](NC(=O)c1cn(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001350904435 1391555360 /nfs/dbraw/zinc/55/53/60/1391555360.db2.gz GHENPMJVPFOROJ-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)Nc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001350934065 1391562557 /nfs/dbraw/zinc/56/25/57/1391562557.db2.gz XFXIDADDVRHZGA-UHFFFAOYSA-N 0 0 333.275 3.165 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001350940572 1391564417 /nfs/dbraw/zinc/56/44/17/1391564417.db2.gz CSAMWEMWPKIVEV-HUUCEWRRSA-N 0 0 340.379 3.212 10 5 EGBERN Cc1ccccc1OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001351190658 1391609025 /nfs/dbraw/zinc/60/90/25/1391609025.db2.gz BMBNYKJFJFVICS-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001351242274 1391615512 /nfs/dbraw/zinc/61/55/12/1391615512.db2.gz FQRRUHAVMWPLIW-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncccc1-c1ccccn1 ZINC001351324917 1391627103 /nfs/dbraw/zinc/62/71/03/1391627103.db2.gz BFEZOONYVSLZHI-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN COc1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1F ZINC001351798176 1391691688 /nfs/dbraw/zinc/69/16/88/1391691688.db2.gz ZGHIARVDSWQOIJ-UHFFFAOYSA-N 0 0 337.328 3.440 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2nc3ccccc3s2)n1 ZINC001351953482 1391723508 /nfs/dbraw/zinc/72/35/08/1391723508.db2.gz VMMQVUGZCYWAMJ-UHFFFAOYSA-N 0 0 328.353 3.185 10 5 EGBERN Cc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c1 ZINC001352297073 1391781862 /nfs/dbraw/zinc/78/18/62/1391781862.db2.gz MMZCSGUUACNEJN-UHFFFAOYSA-N 0 0 327.384 3.278 10 5 EGBERN C/C(=C/C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001352324690 1391784198 /nfs/dbraw/zinc/78/41/98/1391784198.db2.gz BDWDBWHQDSKJOK-QXMHVHEDSA-N 0 0 331.397 3.288 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001352370492 1391789700 /nfs/dbraw/zinc/78/97/00/1391789700.db2.gz IQXDDHIZTMIGTL-CQSZACIVSA-N 0 0 334.278 3.124 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC(C)(C)c2ccccc2F)n1 ZINC001352387993 1391791479 /nfs/dbraw/zinc/79/14/79/1391791479.db2.gz BVXPOJPWSLATTB-UHFFFAOYSA-N 0 0 331.347 3.145 10 5 EGBERN COc1cccc(OCCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001352635012 1391826678 /nfs/dbraw/zinc/82/66/78/1391826678.db2.gz SMWOOMKZVJVMBK-UHFFFAOYSA-N 0 0 334.303 3.150 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(c2ccccc2C)=NO1 ZINC001352635528 1391826753 /nfs/dbraw/zinc/82/67/53/1391826753.db2.gz YVGGUUXPSAQDMO-QGZVFWFLSA-N 0 0 339.351 3.343 10 5 EGBERN Cc1ccccc1[C@H](C)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001352657543 1391829083 /nfs/dbraw/zinc/82/90/83/1391829083.db2.gz JATANOOQARZBBB-ZDUSSCGKSA-N 0 0 342.351 3.189 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC001352701991 1391834410 /nfs/dbraw/zinc/83/44/10/1391834410.db2.gz BZCKCNSOEMNIDX-CQSZACIVSA-N 0 0 326.352 3.347 10 5 EGBERN Cc1cc(C(F)F)n2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2n1 ZINC001352704590 1391834877 /nfs/dbraw/zinc/83/48/77/1391834877.db2.gz SJCMXNTZGKRAEG-UHFFFAOYSA-N 0 0 347.281 3.136 10 5 EGBERN O=C(OCc1ccccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001353129924 1391940272 /nfs/dbraw/zinc/94/02/72/1391940272.db2.gz DNSVXJMOLKQOSI-UHFFFAOYSA-N 0 0 335.699 3.334 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ncnc3sccc32)c([N+](=O)[O-])c1 ZINC001353347693 1391993533 /nfs/dbraw/zinc/99/35/33/1391993533.db2.gz LZJKSHDGTMTKFS-UHFFFAOYSA-N 0 0 329.337 3.436 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001353639899 1392056933 /nfs/dbraw/zinc/05/69/33/1392056933.db2.gz CNUHFIUFUQRCAN-GFCCVEGCSA-N 0 0 347.298 3.214 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCn2c3ccccc3nc21 ZINC001353681202 1392066750 /nfs/dbraw/zinc/06/67/50/1392066750.db2.gz FFVFTTKPCQMSMM-UHFFFAOYSA-N 0 0 336.351 3.222 10 5 EGBERN Nc1c(C(=O)NCc2ccsc2)cc2ccccc2c1[N+](=O)[O-] ZINC001354104653 1392120582 /nfs/dbraw/zinc/12/05/82/1392120582.db2.gz IROFPORUCHBYBY-UHFFFAOYSA-N 0 0 327.365 3.322 10 5 EGBERN Cc1cn(-c2ccccc2)nc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001354196093 1392126581 /nfs/dbraw/zinc/12/65/81/1392126581.db2.gz NAYZLIZFQAVDRE-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1noc2ncc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cc12 ZINC001354309685 1392137318 /nfs/dbraw/zinc/13/73/18/1392137318.db2.gz ZCXYZAKUCFIBQI-CABCVRRESA-N 0 0 338.323 3.182 10 5 EGBERN O=C(Nc1ccnc2ccccc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354485513 1392147326 /nfs/dbraw/zinc/14/73/26/1392147326.db2.gz YWFOEYNIHXMGNI-HOTGVXAUSA-N 0 0 333.347 3.307 10 5 EGBERN COCc1ccccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001354491483 1392148149 /nfs/dbraw/zinc/14/81/49/1392148149.db2.gz ZCSCOJBTZOLCCR-UHFFFAOYSA-N 0 0 332.331 3.452 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H]1C ZINC001354775159 1392168364 /nfs/dbraw/zinc/16/83/64/1392168364.db2.gz GTTCHZMYMQPZQP-IPYPFGDCSA-N 0 0 342.399 3.335 10 5 EGBERN O=C(Oc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001354867387 1392173763 /nfs/dbraw/zinc/17/37/63/1392173763.db2.gz RAFGXQWTIKVQCG-UHFFFAOYSA-N 0 0 327.271 3.139 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OC(F)(F)O2 ZINC001354995070 1392183802 /nfs/dbraw/zinc/18/38/02/1392183802.db2.gz NLIKTEALEGBSNA-UHFFFAOYSA-N 0 0 340.213 3.308 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001354995804 1392183821 /nfs/dbraw/zinc/18/38/21/1392183821.db2.gz VKEOJOZXZCSAHE-QGZVFWFLSA-N 0 0 339.351 3.343 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001355067648 1392190754 /nfs/dbraw/zinc/19/07/54/1392190754.db2.gz YGXNACRTLCDXBF-LBPRGKRZSA-N 0 0 330.315 3.232 10 5 EGBERN CCc1onc(C)c1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001479419202 1392241020 /nfs/dbraw/zinc/24/10/20/1392241020.db2.gz CWTZFSXBZOLVBH-NSHDSACASA-N 0 0 346.387 3.057 10 5 EGBERN O=C(CC1=CCCCC1)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001481614593 1394421591 /nfs/dbraw/zinc/42/15/91/1394421591.db2.gz GLBSNAMOZWVWRD-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN C[C@@H](NC(=O)N1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])cc1 ZINC001687575407 1396412923 /nfs/dbraw/zinc/41/29/23/1396412923.db2.gz OORXSFHEWCNEFI-GFCCVEGCSA-N 0 0 327.340 3.313 10 5 EGBERN C[C@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001693607569 1406028908 /nfs/dbraw/zinc/02/89/08/1406028908.db2.gz ZPSAEIUULWWVEC-NHYWBVRUSA-N 0 0 327.388 3.280 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001695344177 1406091403 /nfs/dbraw/zinc/09/14/03/1406091403.db2.gz QOXIECXRIPAOAS-CHWSQXEVSA-N 0 0 329.404 3.498 10 5 EGBERN O=C(CCCC1CCCC1)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001714954314 1419695132 /nfs/dbraw/zinc/69/51/32/1419695132.db2.gz OWHSIZVRWMLYPM-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN Cc1cscc1C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001715514001 1420198494 /nfs/dbraw/zinc/19/84/94/1420198494.db2.gz HLCPMVYUIDKAHQ-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)SC ZINC001727508769 1427107816 /nfs/dbraw/zinc/10/78/16/1427107816.db2.gz OLXFXIULJZINCJ-LBPRGKRZSA-N 0 0 349.460 3.137 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccoc1 ZINC001728113867 1427137936 /nfs/dbraw/zinc/13/79/36/1427137936.db2.gz YJQXNMROHKSGJH-UHFFFAOYSA-N 0 0 341.371 3.493 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C ZINC001728386316 1427147682 /nfs/dbraw/zinc/14/76/82/1427147682.db2.gz MIRQHYAZBOOTCL-OCCSQVGLSA-N 0 0 329.404 3.356 10 5 EGBERN CCC[C@@H]1C[C@H]1n1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001745857131 1439824682 /nfs/dbraw/zinc/82/46/82/1439824682.db2.gz KFXJJXMQHOQXKK-RHSMWYFYSA-N 0 0 341.415 3.419 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001764379453 1441389442 /nfs/dbraw/zinc/38/94/42/1441389442.db2.gz ZFJWVVMKOYOEOL-HIFRSBDPSA-N 0 0 327.388 3.252 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000135265121 282167943 /nfs/dbraw/zinc/16/79/43/282167943.db2.gz DFXFKOQOYJRHLQ-SMDDNHRTSA-N 0 0 343.358 3.456 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000174199295 529596018 /nfs/dbraw/zinc/59/60/18/529596018.db2.gz WDNJYRWGNOPVFL-MRXNPFEDSA-N 0 0 342.399 3.139 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)Oc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177805285 529653585 /nfs/dbraw/zinc/65/35/85/529653585.db2.gz VYVSIBNIQLMXDM-MLGOLLRUSA-N 0 0 329.356 3.025 10 5 EGBERN Cc1sc(C(=O)N2CCN(C)c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000081074528 282475272 /nfs/dbraw/zinc/47/52/72/282475272.db2.gz HQDWYGHHYBGQTR-UHFFFAOYSA-N 0 0 335.360 3.200 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066712921 215072236 /nfs/dbraw/zinc/07/22/36/215072236.db2.gz OPQVDXAVFZMNID-DYVFJYSZSA-N 0 0 326.352 3.197 10 5 EGBERN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000126963997 222774166 /nfs/dbraw/zinc/77/41/66/222774166.db2.gz JFSUHJQEHDGNIK-VXGBXAGGSA-N 0 0 333.413 3.328 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000067827413 215223154 /nfs/dbraw/zinc/22/31/54/215223154.db2.gz DAYSDSRSIREYQI-GFCCVEGCSA-N 0 0 344.415 3.275 10 5 EGBERN CC(=O)c1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040649718 213363395 /nfs/dbraw/zinc/36/33/95/213363395.db2.gz MYDTZUKJAJUOJW-UHFFFAOYSA-N 0 0 344.375 3.046 10 5 EGBERN Cc1ccc(Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1Cl ZINC000040591204 213355187 /nfs/dbraw/zinc/35/51/87/213355187.db2.gz SMTGUARRARGPBS-UHFFFAOYSA-N 0 0 330.735 3.276 10 5 EGBERN CCN(CC)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040608101 213357831 /nfs/dbraw/zinc/35/78/31/213357831.db2.gz WVSKAHDDXHZPRN-UHFFFAOYSA-N 0 0 335.795 3.497 10 5 EGBERN CN(C)N=c1nc[nH]c(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591373 213355563 /nfs/dbraw/zinc/35/55/63/213355563.db2.gz BFGVHXUZCRFCMP-UHFFFAOYSA-N 0 0 343.174 3.324 10 5 EGBERN O=C(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)NC1CC1 ZINC000037554866 213156299 /nfs/dbraw/zinc/15/62/99/213156299.db2.gz YUMFUIINLJGQQV-UHFFFAOYSA-N 0 0 325.368 3.028 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000374517383 168776939 /nfs/dbraw/zinc/77/69/39/168776939.db2.gz BQGDNKDNUJCFJA-KRWDZBQOSA-N 0 0 332.306 3.445 10 5 EGBERN Cn1cnc2cc(-c3noc(Cc4ccc([N+](=O)[O-])cc4)n3)ccc21 ZINC000035453256 213029156 /nfs/dbraw/zinc/02/91/56/213029156.db2.gz UVEFKGRMHRDRGV-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)c1ccc(I)cc1 ZINC000035368758 213022828 /nfs/dbraw/zinc/02/28/28/213022828.db2.gz BIJDTQVZUPTYSS-UHFFFAOYSA-N 0 0 343.076 3.023 10 5 EGBERN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)n[nH]2)cc1 ZINC000072237779 216076215 /nfs/dbraw/zinc/07/62/15/216076215.db2.gz PACDCQPOZXBVIV-UHFFFAOYSA-N 0 0 326.312 3.064 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000082385 209407816 /nfs/dbraw/zinc/40/78/16/209407816.db2.gz ZCIHGXKYBIXNHY-YVEFUNNKSA-N 0 0 328.324 3.086 10 5 EGBERN C[C@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191488365 239142397 /nfs/dbraw/zinc/14/23/97/239142397.db2.gz BGHJIYKFPDQEGT-MFKMUULPSA-N 0 0 347.396 3.472 10 5 EGBERN COc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000193384493 240140864 /nfs/dbraw/zinc/14/08/64/240140864.db2.gz JZBSSYZLTPRWLU-UHFFFAOYSA-N 0 0 339.298 3.399 10 5 EGBERN Cc1c(CCC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000132991978 223379926 /nfs/dbraw/zinc/37/99/26/223379926.db2.gz NCHRILVRVYPFAJ-CYBMUJFWSA-N 0 0 331.372 3.182 10 5 EGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130651957 284133260 /nfs/dbraw/zinc/13/32/60/284133260.db2.gz JHYMNINKXKEWML-CQSZACIVSA-N 0 0 335.319 3.007 10 5 EGBERN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000110505915 220040851 /nfs/dbraw/zinc/04/08/51/220040851.db2.gz ZOFSSWNUAQFPRL-ZETCQYMHSA-N 0 0 325.415 3.475 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000264042683 246010187 /nfs/dbraw/zinc/01/01/87/246010187.db2.gz OMTSKIJANWGTLT-OAHLLOKOSA-N 0 0 326.352 3.384 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000264677065 246768309 /nfs/dbraw/zinc/76/83/09/246768309.db2.gz NRCUTZZBQGUEGS-GFCCVEGCSA-N 0 0 348.790 3.341 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264827007 246945155 /nfs/dbraw/zinc/94/51/55/246945155.db2.gz FPDQDQDYGZNPGP-CQSZACIVSA-N 0 0 349.387 3.033 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000265269034 247356669 /nfs/dbraw/zinc/35/66/69/247356669.db2.gz GEUHUHHAGHXRAV-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN Cc1c(CC(=O)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000378260447 169092624 /nfs/dbraw/zinc/09/26/24/169092624.db2.gz PYYMECBQJLXIBQ-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CCC[C@@H]21 ZINC000408376438 169173058 /nfs/dbraw/zinc/17/30/58/169173058.db2.gz SKOPDLGOKDXDSD-ZANVPECISA-N 0 0 339.189 3.372 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000408372876 169173088 /nfs/dbraw/zinc/17/30/88/169173088.db2.gz BTBKDGNLXVVZFQ-HIFRSBDPSA-N 0 0 329.400 3.210 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000408372875 169173164 /nfs/dbraw/zinc/17/31/64/169173164.db2.gz BTBKDGNLXVVZFQ-DZGCQCFKSA-N 0 0 329.400 3.210 10 5 EGBERN CC1(C)CCCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000408441335 169177863 /nfs/dbraw/zinc/17/78/63/169177863.db2.gz DDCCACJWTCOCSR-UHFFFAOYSA-N 0 0 326.418 3.015 10 5 EGBERN COc1cccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000408408031 169175012 /nfs/dbraw/zinc/17/50/12/169175012.db2.gz UCKKUJURUPLMNL-VTXSZYRJSA-N 0 0 330.384 3.254 10 5 EGBERN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000089930435 217885474 /nfs/dbraw/zinc/88/54/74/217885474.db2.gz QASKXCYZRKTJNH-QGZVFWFLSA-N 0 0 339.351 3.301 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684961 217949242 /nfs/dbraw/zinc/94/92/42/217949242.db2.gz UFRFKNHFRGXIIY-CJNGLKHVSA-N 0 0 335.404 3.114 10 5 EGBERN CCOc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000010031092 211143995 /nfs/dbraw/zinc/14/39/95/211143995.db2.gz XHDCSJROWNERFU-MDZDMXLPSA-N 0 0 349.364 3.144 10 5 EGBERN Cc1cnc(N[C@@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])c1 ZINC000095415039 218353327 /nfs/dbraw/zinc/35/33/27/218353327.db2.gz RWHOOXOLISRTNJ-CQSZACIVSA-N 0 0 326.360 3.150 10 5 EGBERN CC[C@@H](NC(=O)c1csc(COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000267298237 250919969 /nfs/dbraw/zinc/91/99/69/250919969.db2.gz PKOFUISUUWNKMA-GFCCVEGCSA-N 0 0 335.385 3.079 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000090009609 285113031 /nfs/dbraw/zinc/11/30/31/285113031.db2.gz WEWVHBSHXHKKPX-AWEZNQCLSA-N 0 0 330.306 3.224 10 5 EGBERN O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccnc1Cl ZINC000005069013 210384005 /nfs/dbraw/zinc/38/40/05/210384005.db2.gz MBZBQLNNIRHVKC-UHFFFAOYSA-N 0 0 329.790 3.436 10 5 EGBERN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000181950684 533086493 /nfs/dbraw/zinc/08/64/93/533086493.db2.gz USTBYITUFOVKRF-BXKDBHETSA-N 0 0 344.820 3.024 10 5 EGBERN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc[nH]1 ZINC000004779222 210277238 /nfs/dbraw/zinc/27/72/38/210277238.db2.gz DSDKAOOLUWJISF-UHFFFAOYSA-N 0 0 340.291 3.223 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000119003822 221222118 /nfs/dbraw/zinc/22/21/18/221222118.db2.gz SXPCWTLKGRJMGA-JTQLQIEISA-N 0 0 332.381 3.356 10 5 EGBERN Cc1c(CN[C@H](c2nnc3ccccn32)C(C)C)cccc1[N+](=O)[O-] ZINC000352961336 141278228 /nfs/dbraw/zinc/27/82/28/141278228.db2.gz AXIDCQXVLDJZQI-KRWDZBQOSA-N 0 0 339.399 3.433 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354620462 141315465 /nfs/dbraw/zinc/31/54/65/141315465.db2.gz JEBYWAMQXYFNAB-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc(F)c(C)cc3s2)n1 ZINC000358010580 141379148 /nfs/dbraw/zinc/37/91/48/141379148.db2.gz UAKRQXZCBOLOEB-UHFFFAOYSA-N 0 0 349.347 3.121 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cncc(F)c1 ZINC000359592451 141381159 /nfs/dbraw/zinc/38/11/59/141381159.db2.gz RJISFXUXHKPTHT-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])o1 ZINC000359598261 141382739 /nfs/dbraw/zinc/38/27/39/141382739.db2.gz KHFVNCFQWNSEQJ-GFCCVEGCSA-N 0 0 331.372 3.046 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CCO2)o1 ZINC000127477500 143953303 /nfs/dbraw/zinc/95/33/03/143953303.db2.gz FIBZDPSJDQWWGY-HNNXBMFYSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1sc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000171612228 144007785 /nfs/dbraw/zinc/00/77/85/144007785.db2.gz MACFGWTVLFJSBY-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000172705305 144025759 /nfs/dbraw/zinc/02/57/59/144025759.db2.gz ZFOGNDMXRVDUCQ-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000172786664 144028441 /nfs/dbraw/zinc/02/84/41/144028441.db2.gz FEVNRJFZOZPEOK-UKRRQHHQSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)o1 ZINC000184124857 144086391 /nfs/dbraw/zinc/08/63/91/144086391.db2.gz GRYSEOKNWUIYQP-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CO)c(F)c1 ZINC000184485833 144092949 /nfs/dbraw/zinc/09/29/49/144092949.db2.gz WTRGHNRZLNGHBF-UHFFFAOYSA-N 0 0 347.346 3.165 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184967691 144101755 /nfs/dbraw/zinc/10/17/55/144101755.db2.gz ACKQVSMVWKMFOM-GFCCVEGCSA-N 0 0 343.387 3.188 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1C(=O)C(C)C ZINC000187459256 144159699 /nfs/dbraw/zinc/15/96/99/144159699.db2.gz NTNFNBIICJMAOV-UHFFFAOYSA-N 0 0 327.340 3.389 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187787569 144164558 /nfs/dbraw/zinc/16/45/58/144164558.db2.gz WDJQPZGTXZAQGJ-HZPDHXFCSA-N 0 0 339.395 3.439 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000192524308 144175795 /nfs/dbraw/zinc/17/57/95/144175795.db2.gz UOPOLHXMIBGPMA-ZDUSSCGKSA-N 0 0 346.412 3.276 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000344646468 144204736 /nfs/dbraw/zinc/20/47/36/144204736.db2.gz ZRDHUUHXCOXFKU-UHFFFAOYSA-N 0 0 336.351 3.171 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000344782426 144223649 /nfs/dbraw/zinc/22/36/49/144223649.db2.gz FAZNBYTWMDYLSU-UHFFFAOYSA-N 0 0 341.411 3.107 10 5 EGBERN CCOC(=O)c1c(C)onc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000351572464 144281843 /nfs/dbraw/zinc/28/18/43/144281843.db2.gz DJELRJSXLOXEDP-LLVKDONJSA-N 0 0 347.371 3.227 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000361744807 144358962 /nfs/dbraw/zinc/35/89/62/144358962.db2.gz NYOCRRFNSUKBQZ-UHFFFAOYSA-N 0 0 329.360 3.467 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000363820056 144368624 /nfs/dbraw/zinc/36/86/24/144368624.db2.gz IWCBQBMTEFSDOJ-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000363873104 144373194 /nfs/dbraw/zinc/37/31/94/144373194.db2.gz QIFYKIDQAZZAAK-BBRMVZONSA-N 0 0 325.368 3.256 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@H]1CC1CCC1 ZINC000341382351 155260157 /nfs/dbraw/zinc/26/01/57/155260157.db2.gz LUNMIMPBSVQMSF-OAHLLOKOSA-N 0 0 338.791 3.279 10 5 EGBERN COc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357159254 286176211 /nfs/dbraw/zinc/17/62/11/286176211.db2.gz ZEJHROINMBDCMX-SCZZXKLOSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000115101611 151993308 /nfs/dbraw/zinc/99/33/08/151993308.db2.gz RVZPIPDWAFQJNB-UHFFFAOYSA-N 0 0 325.324 3.283 10 5 EGBERN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115222906 152000419 /nfs/dbraw/zinc/00/04/19/152000419.db2.gz DUCFAYNWXUEVBI-CQSZACIVSA-N 0 0 342.399 3.402 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117576381 152102716 /nfs/dbraw/zinc/10/27/16/152102716.db2.gz GPGPSYZIBCGAAR-LBPRGKRZSA-N 0 0 343.335 3.465 10 5 EGBERN O=C(Nc1cncc(F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000341542361 155345063 /nfs/dbraw/zinc/34/50/63/155345063.db2.gz FQYDIIZIVPQNJH-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3C)n(C)c21 ZINC000120877530 152306357 /nfs/dbraw/zinc/30/63/57/152306357.db2.gz SDPINCDMTSBWFE-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341558488 155354171 /nfs/dbraw/zinc/35/41/71/155354171.db2.gz ZJRFASOIGAJGDV-KDOFPFPSSA-N 0 0 347.415 3.176 10 5 EGBERN C[C@@H](c1ccccn1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341581174 155365516 /nfs/dbraw/zinc/36/55/16/155365516.db2.gz BLHYSIYZFIAEKY-JTQLQIEISA-N 0 0 335.310 3.030 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000172869142 152811785 /nfs/dbraw/zinc/81/17/85/152811785.db2.gz LMLRTJKHPIBEIO-JTQLQIEISA-N 0 0 349.774 3.149 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000190245029 153126833 /nfs/dbraw/zinc/12/68/33/153126833.db2.gz WJIUSGWIFXVSKP-INIZCTEOSA-N 0 0 341.367 3.226 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000191540255 153206044 /nfs/dbraw/zinc/20/60/44/153206044.db2.gz FGLFNCYPBXANSG-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000193841062 153310445 /nfs/dbraw/zinc/31/04/45/153310445.db2.gz MOFXPYYKBKTZTO-LBPRGKRZSA-N 0 0 348.384 3.339 10 5 EGBERN O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000194507650 153340310 /nfs/dbraw/zinc/34/03/10/153340310.db2.gz ARUGROYUZHQIHV-ZDUSSCGKSA-N 0 0 335.360 3.084 10 5 EGBERN COc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194853399 153362281 /nfs/dbraw/zinc/36/22/81/153362281.db2.gz GVVZCWFIGMYQKM-UHFFFAOYSA-N 0 0 343.383 3.014 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3c(C)cccc3[N+](=O)[O-])CCO2)o1 ZINC000194953666 153366021 /nfs/dbraw/zinc/36/60/21/153366021.db2.gz CSJGLMNTUYZDIE-HNNXBMFYSA-N 0 0 330.340 3.018 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000195375305 153399861 /nfs/dbraw/zinc/39/98/61/153399861.db2.gz VRDAGYSZZOIUGQ-HNNXBMFYSA-N 0 0 346.387 3.317 10 5 EGBERN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC000341631974 155392551 /nfs/dbraw/zinc/39/25/51/155392551.db2.gz GPRRSMTYBBRTDF-UHFFFAOYSA-N 0 0 331.397 3.443 10 5 EGBERN COc1cc(OCC(=O)N2Cc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000341023374 155125538 /nfs/dbraw/zinc/12/55/38/155125538.db2.gz OAIRIFHEFBRTJG-GFCCVEGCSA-N 0 0 342.351 3.086 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000341039799 155128013 /nfs/dbraw/zinc/12/80/13/155128013.db2.gz IUOWXICLYAUNLV-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN O=C(Nc1ccc(OC2CCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343391494 155785479 /nfs/dbraw/zinc/78/54/79/155785479.db2.gz PXXUTCFVTSYRJO-UHFFFAOYSA-N 0 0 330.344 3.282 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@H](C(F)(F)F)C3)n2)nc1 ZINC000346865663 156170331 /nfs/dbraw/zinc/17/03/31/156170331.db2.gz GSGKABDKEIHXSN-BDAKNGLRSA-N 0 0 342.277 3.410 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000348921158 156287448 /nfs/dbraw/zinc/28/74/48/156287448.db2.gz RMOHXNJNPLBXIM-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000072513857 161651838 /nfs/dbraw/zinc/65/18/38/161651838.db2.gz FQNRHUZUPHFJDJ-UHFFFAOYSA-N 0 0 334.353 3.394 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@H]2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000073328378 161667628 /nfs/dbraw/zinc/66/76/28/161667628.db2.gz HYSZIIDDHMGSAW-ZDUSSCGKSA-N 0 0 340.335 3.243 10 5 EGBERN CC(C)CN(CC(F)(F)F)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000078910367 161785903 /nfs/dbraw/zinc/78/59/03/161785903.db2.gz AQDJDZHTBZGYHV-UHFFFAOYSA-N 0 0 334.294 3.021 10 5 EGBERN Cc1ccc(F)c2c1N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000108976015 162088755 /nfs/dbraw/zinc/08/87/55/162088755.db2.gz QFTCMEBOSIARCG-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN COCc1noc(-c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000109597106 162107247 /nfs/dbraw/zinc/10/72/47/162107247.db2.gz HHRSMGSWUPLYDB-LLVKDONJSA-N 0 0 332.360 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000114362268 162229251 /nfs/dbraw/zinc/22/92/51/162229251.db2.gz XUMXLCTVXBHNSM-MRXNPFEDSA-N 0 0 341.367 3.124 10 5 EGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000181100834 162774092 /nfs/dbraw/zinc/77/40/92/162774092.db2.gz CLPMQWZRRUBAMZ-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN CCn1cc([C@H]2CN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000248697421 163028480 /nfs/dbraw/zinc/02/84/80/163028480.db2.gz CUDLIWBPJYOIFG-RDTXWAMCSA-N 0 0 344.415 3.254 10 5 EGBERN CCn1cc([C@@H]2CN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000248697420 163028770 /nfs/dbraw/zinc/02/87/70/163028770.db2.gz CUDLIWBPJYOIFG-KDOFPFPSSA-N 0 0 344.415 3.254 10 5 EGBERN CCCN(C(=O)c1cc(C)nc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000337022871 163107905 /nfs/dbraw/zinc/10/79/05/163107905.db2.gz XZRASUVECMBSJS-UHFFFAOYSA-N 0 0 329.356 3.364 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C2CCOCC2)s1 ZINC000338719285 163329666 /nfs/dbraw/zinc/32/96/66/163329666.db2.gz FXKUSNQTDWZDQW-UHFFFAOYSA-N 0 0 348.428 3.019 10 5 EGBERN O=C(Nc1ccc(OC(F)F)nc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338760436 163340757 /nfs/dbraw/zinc/34/07/57/163340757.db2.gz ZVLDIQKWHWQHQT-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1Cc2ccccc2[C@@H]1C ZINC000340826733 163673809 /nfs/dbraw/zinc/67/38/09/163673809.db2.gz OZFXIGFKWWSKFS-LBPRGKRZSA-N 0 0 341.367 3.390 10 5 EGBERN CC(C)(C(=O)Nc1ccc(F)c(C2CC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000342190584 163809657 /nfs/dbraw/zinc/80/96/57/163809657.db2.gz RGZIZJDOCNFTHB-UHFFFAOYSA-N 0 0 332.335 3.182 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000342414555 163872613 /nfs/dbraw/zinc/87/26/13/163872613.db2.gz LZCLHGSHXOFSNZ-GFCCVEGCSA-N 0 0 345.380 3.344 10 5 EGBERN Cc1cc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000342632120 163928693 /nfs/dbraw/zinc/92/86/93/163928693.db2.gz LVFKZDMEVLEBQO-SNVBAGLBSA-N 0 0 348.790 3.398 10 5 EGBERN CSCCCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343752990 164027358 /nfs/dbraw/zinc/02/73/58/164027358.db2.gz KWVMIRRPZWZAJB-UHFFFAOYSA-N 0 0 332.372 3.065 10 5 EGBERN CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000344200013 164125209 /nfs/dbraw/zinc/12/52/09/164125209.db2.gz NRTXTTNPXLLHLI-AAEUAGOBSA-N 0 0 333.294 3.035 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000344216232 164128944 /nfs/dbraw/zinc/12/89/44/164128944.db2.gz HULHSXCXVVQNTM-LBPRGKRZSA-N 0 0 330.340 3.034 10 5 EGBERN COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c(OC)c1 ZINC000344412127 164172771 /nfs/dbraw/zinc/17/27/71/164172771.db2.gz DOUJKGOWDUWOCI-HNNXBMFYSA-N 0 0 329.356 3.349 10 5 EGBERN O=C(NCCC1(F)CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000345720311 164251816 /nfs/dbraw/zinc/25/18/16/164251816.db2.gz YKUVKADHQLWZPQ-UHFFFAOYSA-N 0 0 349.406 3.210 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)c3ccc(C)cc3)no2)n1 ZINC000346395881 164380143 /nfs/dbraw/zinc/38/01/43/164380143.db2.gz CLHDMZUAPSPIPY-NSHDSACASA-N 0 0 327.344 3.321 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccccn1 ZINC000346562240 164397648 /nfs/dbraw/zinc/39/76/48/164397648.db2.gz GGZJPEYSRUJMEY-UHFFFAOYSA-N 0 0 345.380 3.221 10 5 EGBERN CN(Cc1cc[nH]n1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347159121 164452899 /nfs/dbraw/zinc/45/28/99/164452899.db2.gz RHCSWLALYGHSGU-UHFFFAOYSA-N 0 0 331.376 3.279 10 5 EGBERN COc1ccccc1CCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347443786 164501744 /nfs/dbraw/zinc/50/17/44/164501744.db2.gz YXELESXKCWFVRL-UHFFFAOYSA-N 0 0 338.367 3.226 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000354884228 166055376 /nfs/dbraw/zinc/05/53/76/166055376.db2.gz TXTYCCZZQOULRV-CQSZACIVSA-N 0 0 345.399 3.339 10 5 EGBERN CO[C@](C)(c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000350419412 165047917 /nfs/dbraw/zinc/04/79/17/165047917.db2.gz NMVGKQYSBBBSKM-KRWDZBQOSA-N 0 0 342.355 3.252 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC2CCC1CC2 ZINC000351688971 165134240 /nfs/dbraw/zinc/13/42/40/165134240.db2.gz YLUTUSMXLJLTIY-KVULBXGLSA-N 0 0 331.416 3.482 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000351689714 165134525 /nfs/dbraw/zinc/13/45/25/165134525.db2.gz CNDGBSUEKVLCOP-QWQCLYJRSA-N 0 0 340.383 3.089 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCCO1 ZINC000351688565 165134527 /nfs/dbraw/zinc/13/45/27/165134527.db2.gz XXACCDFLIZNPJP-UHFFFAOYSA-N 0 0 333.369 3.276 10 5 EGBERN CCc1ccc([C@@H]2COCCN2Cc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000351934516 165156000 /nfs/dbraw/zinc/15/60/00/165156000.db2.gz CHMROVRNWQZUQB-INIZCTEOSA-N 0 0 346.383 3.332 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000351976845 165175296 /nfs/dbraw/zinc/17/52/96/165175296.db2.gz CSAYZUDRZQULCG-GOSISDBHSA-N 0 0 328.368 3.177 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352229964 165297175 /nfs/dbraw/zinc/29/71/75/165297175.db2.gz WHMMNWSTPHJLIS-UFBFGSQYSA-N 0 0 341.289 3.489 10 5 EGBERN O=C(NCCc1cccc(C(F)(F)F)n1)c1csc([N+](=O)[O-])c1 ZINC000352405676 165385309 /nfs/dbraw/zinc/38/53/09/165385309.db2.gz OGJDSJUYRISPIN-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN Cn1ccnc1[C@H](NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353433670 165770074 /nfs/dbraw/zinc/77/00/74/165770074.db2.gz HIAUJCXEXIJPTD-GOSISDBHSA-N 0 0 336.395 3.250 10 5 EGBERN CO[C@@](C)(c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000353866114 165908043 /nfs/dbraw/zinc/90/80/43/165908043.db2.gz JVSYMDVJKLQVPY-CQSZACIVSA-N 0 0 339.298 3.390 10 5 EGBERN O=C(NCC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355131611 166113724 /nfs/dbraw/zinc/11/37/24/166113724.db2.gz ZVGJBRZTZWCZKG-VIFPVBQESA-N 0 0 347.293 3.162 10 5 EGBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000355176053 166124144 /nfs/dbraw/zinc/12/41/44/166124144.db2.gz KIOFWSDUBAMLOM-GTNSWQLSSA-N 0 0 338.379 3.041 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000355491106 166219062 /nfs/dbraw/zinc/21/90/62/166219062.db2.gz LRAQNFQMJKPZCH-YOEHRIQHSA-N 0 0 342.399 3.250 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]nc2ccc(Cl)cc21 ZINC000355551729 166241199 /nfs/dbraw/zinc/24/11/99/166241199.db2.gz JOPSWBMJMNZQGH-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CO)c1ccsc1 ZINC000355603041 166258082 /nfs/dbraw/zinc/25/80/82/166258082.db2.gz WMQGVZUUTGLJDO-ZDUSSCGKSA-N 0 0 335.385 3.128 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3C(F)(F)F)no2)n1 ZINC000355638657 166268349 /nfs/dbraw/zinc/26/83/49/166268349.db2.gz PFLYKDPOXQLJBI-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN Cc1cccnc1-c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000355847076 166326277 /nfs/dbraw/zinc/32/62/77/166326277.db2.gz SLWYYDDJAGJOTM-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN Cc1ccc(S(=O)(=O)N(C)c2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000355878364 166335558 /nfs/dbraw/zinc/33/55/58/166335558.db2.gz HKUKGZNAPYNVIV-UHFFFAOYSA-N 0 0 345.380 3.210 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000355905725 166343600 /nfs/dbraw/zinc/34/36/00/166343600.db2.gz HNGPGTFXNYHLEX-UHFFFAOYSA-N 0 0 329.356 3.083 10 5 EGBERN CC(=O)c1ccc(OCC(=O)[C@@H]2Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000355934921 166352067 /nfs/dbraw/zinc/35/20/67/166352067.db2.gz GZQVWGVRJDDKFR-OAHLLOKOSA-N 0 0 325.320 3.085 10 5 EGBERN COCc1cccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c1 ZINC000356088856 166396261 /nfs/dbraw/zinc/39/62/61/166396261.db2.gz CINSGPIDZIAPDB-UHFFFAOYSA-N 0 0 326.312 3.162 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356618009 166465720 /nfs/dbraw/zinc/46/57/20/166465720.db2.gz MHCVWOZEPNXNOD-DYZYQPBXSA-N 0 0 337.335 3.328 10 5 EGBERN COc1c(C(=O)N[C@@H]2CCOc3c(C)cccc32)cccc1[N+](=O)[O-] ZINC000357001532 166559971 /nfs/dbraw/zinc/55/99/71/166559971.db2.gz TVHQOUJDDCLMAY-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN CCCCN(Cc1ccccc1F)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357189217 166609349 /nfs/dbraw/zinc/60/93/49/166609349.db2.gz LVKFPDIEUOVXAB-UHFFFAOYSA-N 0 0 346.362 3.035 10 5 EGBERN CCS(=O)(=O)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359079948 167062008 /nfs/dbraw/zinc/06/20/08/167062008.db2.gz CRHOQWYKGPLIII-UHFFFAOYSA-N 0 0 349.412 3.012 10 5 EGBERN CCN(Cc1cn(C)nn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000359312174 167122881 /nfs/dbraw/zinc/12/28/81/167122881.db2.gz UWJXLMJTEZGFLZ-UHFFFAOYSA-N 0 0 341.371 3.005 10 5 EGBERN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ncccc1F ZINC000359439090 167156900 /nfs/dbraw/zinc/15/69/00/167156900.db2.gz MWBZECCLYSXUCZ-UHFFFAOYSA-N 0 0 341.245 3.007 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000359566605 167195605 /nfs/dbraw/zinc/19/56/05/167195605.db2.gz SOJSVDMFRUBQAH-ZJUUUORDSA-N 0 0 328.315 3.314 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000359876746 167255808 /nfs/dbraw/zinc/25/58/08/167255808.db2.gz NAWFPIXPVHKWLP-SNVBAGLBSA-N 0 0 332.360 3.332 10 5 EGBERN CCOC(=O)Cc1csc(Sc2nccc(C)c2[N+](=O)[O-])n1 ZINC000360267391 167285932 /nfs/dbraw/zinc/28/59/32/167285932.db2.gz WAOOISAXIPTPQI-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000360436042 167327934 /nfs/dbraw/zinc/32/79/34/167327934.db2.gz GQPJBMNVOHCNKU-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCCCCF)cc2[N+](=O)[O-])C1 ZINC000360522284 167348806 /nfs/dbraw/zinc/34/88/06/167348806.db2.gz RBERUNJKWAYJQL-CYBMUJFWSA-N 0 0 337.395 3.311 10 5 EGBERN Cc1c(CNC(=O)c2ncccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000360528745 167350464 /nfs/dbraw/zinc/35/04/64/167350464.db2.gz NDULPABULWMTGP-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000360726574 167398856 /nfs/dbraw/zinc/39/88/56/167398856.db2.gz CRVUUYXEQKLACF-RKDXNWHRSA-N 0 0 345.193 3.214 10 5 EGBERN Cc1cc(Cl)cnc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362246164 167710081 /nfs/dbraw/zinc/71/00/81/167710081.db2.gz XRFOPBMWVDKEDS-UHFFFAOYSA-N 0 0 341.701 3.411 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000366122212 168085718 /nfs/dbraw/zinc/08/57/18/168085718.db2.gz CZYRYFXJIBPQNM-MEDUHNTESA-N 0 0 329.331 3.352 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366139981 168087112 /nfs/dbraw/zinc/08/71/12/168087112.db2.gz FOXZQONXJJSKKP-WWGRRREGSA-N 0 0 325.368 3.397 10 5 EGBERN CCc1nn(C)c(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000367167501 168187489 /nfs/dbraw/zinc/18/74/89/168187489.db2.gz ZSFSQKGKQXCLMQ-NSHDSACASA-N 0 0 346.353 3.450 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408169241 287250624 /nfs/dbraw/zinc/25/06/24/287250624.db2.gz OTFKNQFESXMLPZ-LLVKDONJSA-N 0 0 329.356 3.253 10 5 EGBERN Cc1c(CC(=O)N2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000162310355 225788903 /nfs/dbraw/zinc/78/89/03/225788903.db2.gz YBQCQSYHROBIOP-UHFFFAOYSA-N 0 0 334.416 3.109 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000120417434 221571403 /nfs/dbraw/zinc/57/14/03/221571403.db2.gz GQRXBAFQCZWMKM-UHFFFAOYSA-N 0 0 331.328 3.080 10 5 EGBERN CCOc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000121237710 221793866 /nfs/dbraw/zinc/79/38/66/221793866.db2.gz DZLUYNWXHLLYIO-UHFFFAOYSA-N 0 0 346.358 3.300 10 5 EGBERN Cc1nn(CCC(=O)N[C@H](C)c2ccc(C)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000088234098 264694724 /nfs/dbraw/zinc/69/47/24/264694724.db2.gz NNBHTQRUNCHWDU-LLVKDONJSA-N 0 0 348.378 3.123 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000110568875 264745152 /nfs/dbraw/zinc/74/51/52/264745152.db2.gz NJHAYWKNEATMPQ-GTNSWQLSSA-N 0 0 326.352 3.267 10 5 EGBERN CCc1cnc(CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000174151026 265028112 /nfs/dbraw/zinc/02/81/12/265028112.db2.gz LKMFHGYHRJDVGZ-NSHDSACASA-N 0 0 348.428 3.217 10 5 EGBERN COCc1csc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000174393511 265047515 /nfs/dbraw/zinc/04/75/15/265047515.db2.gz RTGWDHYNUWPAKY-VIFPVBQESA-N 0 0 336.373 3.080 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175593246 265124971 /nfs/dbraw/zinc/12/49/71/265124971.db2.gz NXMGLUFWEMPHCS-UHFFFAOYSA-N 0 0 329.356 3.049 10 5 EGBERN Nc1c(C(=O)NCc2ccccc2OC2CCC2)cccc1[N+](=O)[O-] ZINC000176773896 265203694 /nfs/dbraw/zinc/20/36/94/265203694.db2.gz PNUGRRGIOJZBLG-UHFFFAOYSA-N 0 0 341.367 3.038 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000178675832 265334604 /nfs/dbraw/zinc/33/46/04/265334604.db2.gz DMLNNPCIVCSGSN-QMMMGPOBSA-N 0 0 327.178 3.194 10 5 EGBERN Cc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)s1 ZINC000179070255 265359954 /nfs/dbraw/zinc/35/99/54/265359954.db2.gz ISBYPDYTUZVMOG-UHFFFAOYSA-N 0 0 331.397 3.473 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC2CCC2)n1 ZINC000191573896 265916248 /nfs/dbraw/zinc/91/62/48/265916248.db2.gz ZDDLNDIDKQYBPB-UHFFFAOYSA-N 0 0 342.399 3.254 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cccc(C)c3)CC2)n1 ZINC000191697282 265925579 /nfs/dbraw/zinc/92/55/79/265925579.db2.gz GBWOCTDQQUQYLX-UHFFFAOYSA-N 0 0 340.383 3.049 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)n1 ZINC000270744139 266551438 /nfs/dbraw/zinc/55/14/38/266551438.db2.gz APLMVNAWZYMXIS-UHFFFAOYSA-N 0 0 348.334 3.041 10 5 EGBERN Cc1cc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)ncc1[N+](=O)[O-] ZINC000275386564 267353461 /nfs/dbraw/zinc/35/34/61/267353461.db2.gz AIHWKGZAPREKKV-HNNXBMFYSA-N 0 0 341.415 3.252 10 5 EGBERN CC[C@H](NC(=O)NCCC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000276300395 267512192 /nfs/dbraw/zinc/51/21/92/267512192.db2.gz NWUXZOFRUQTTMF-HNNXBMFYSA-N 0 0 337.420 3.286 10 5 EGBERN CCOC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000277116079 267699391 /nfs/dbraw/zinc/69/93/91/267699391.db2.gz HZHAOYWOKKDEQN-GFCCVEGCSA-N 0 0 328.796 3.348 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341064575 274646238 /nfs/dbraw/zinc/64/62/38/274646238.db2.gz MXEFWHKHUWREOK-ZDUSSCGKSA-N 0 0 348.362 3.498 10 5 EGBERN Cc1sc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000044571506 275131757 /nfs/dbraw/zinc/13/17/57/275131757.db2.gz OZBBYOMJKJRWCT-UHFFFAOYSA-N 0 0 347.396 3.227 10 5 EGBERN CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCCCO1 ZINC000106866964 275170168 /nfs/dbraw/zinc/17/01/68/275170168.db2.gz JPSZUOHXTIZSGG-MRXNPFEDSA-N 0 0 349.431 3.123 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475396 275183737 /nfs/dbraw/zinc/18/37/37/275183737.db2.gz HKEDLAQISATDEZ-FZKQIMNGSA-N 0 0 339.395 3.370 10 5 EGBERN CCC[C@@H]1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000183046806 275210170 /nfs/dbraw/zinc/21/01/70/275210170.db2.gz KDKGADIGUMYXOW-HEHGZKQESA-N 0 0 332.400 3.468 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1[N+](=O)[O-] ZINC000194920193 275230345 /nfs/dbraw/zinc/23/03/45/275230345.db2.gz SMPPXRVFXCOXHH-CYBMUJFWSA-N 0 0 347.396 3.346 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000273554727 275246025 /nfs/dbraw/zinc/24/60/25/275246025.db2.gz DCXZDPMWFDRDCP-UHFFFAOYSA-N 0 0 335.747 3.352 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CO)CC2(CCC2)C1 ZINC000279090874 275302965 /nfs/dbraw/zinc/30/29/65/275302965.db2.gz IKEZMRVBSYHQET-NTEUORMPSA-N 0 0 344.411 3.057 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000360886274 276040791 /nfs/dbraw/zinc/04/07/91/276040791.db2.gz XJZNCJYYMSQXRK-BDAKNGLRSA-N 0 0 348.325 3.244 10 5 EGBERN COC(=O)c1cc(N2CCC3(CCOCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000286774239 276042065 /nfs/dbraw/zinc/04/20/65/276042065.db2.gz RBOLNRXTWXPZQA-UHFFFAOYSA-N 0 0 348.399 3.087 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000286905790 276056298 /nfs/dbraw/zinc/05/62/98/276056298.db2.gz JYVVJWSFTKACLK-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287039261 276074951 /nfs/dbraw/zinc/07/49/51/276074951.db2.gz VGQGZIPWZNHKKQ-AWEZNQCLSA-N 0 0 344.415 3.496 10 5 EGBERN Cc1cc2c(cc1C)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CC2 ZINC000287183080 276093568 /nfs/dbraw/zinc/09/35/68/276093568.db2.gz ZOJIYNSLHHLTQQ-UHFFFAOYSA-N 0 0 328.372 3.261 10 5 EGBERN COc1ccc(C[C@H](C)Nc2ccc(N)cc2[N+](=O)[O-])cc1OC ZINC000287338399 276109612 /nfs/dbraw/zinc/10/96/12/276109612.db2.gz MWJSIYFLLVGBFP-NSHDSACASA-N 0 0 331.372 3.237 10 5 EGBERN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000287416381 276117672 /nfs/dbraw/zinc/11/76/72/276117672.db2.gz TWQLKJOAKMBEOW-DIFFPNOSSA-N 0 0 331.347 3.283 10 5 EGBERN CC(=O)c1cc(N2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000287710389 276149779 /nfs/dbraw/zinc/14/97/79/276149779.db2.gz DUQXVIYAQPBUAJ-MRXNPFEDSA-N 0 0 332.381 3.437 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000288452959 276215555 /nfs/dbraw/zinc/21/55/55/276215555.db2.gz PNZVQADEWABEDV-IAQYHMDHSA-N 0 0 341.367 3.282 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000288773432 276251230 /nfs/dbraw/zinc/25/12/30/276251230.db2.gz DQUFJGXEYMSQCB-WFASDCNBSA-N 0 0 330.388 3.086 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000288773419 276251326 /nfs/dbraw/zinc/25/13/26/276251326.db2.gz DQUFJGXEYMSQCB-DOMZBBRYSA-N 0 0 330.388 3.086 10 5 EGBERN CS[C@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000290619676 276520664 /nfs/dbraw/zinc/52/06/64/276520664.db2.gz ZRFSBHPPCAVBKQ-AWEZNQCLSA-N 0 0 347.444 3.112 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290789417 276541722 /nfs/dbraw/zinc/54/17/22/276541722.db2.gz DNPURKYNAAJYCB-LBPRGKRZSA-N 0 0 333.344 3.074 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000292672481 276850587 /nfs/dbraw/zinc/85/05/87/276850587.db2.gz DBPIIYSRBKQEFZ-ZFWWWQNUSA-N 0 0 346.408 3.214 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268233068 277111613 /nfs/dbraw/zinc/11/16/13/277111613.db2.gz FWWMKJWQUZLDIG-SJKOYZFVSA-N 0 0 328.372 3.081 10 5 EGBERN COc1cc(C(=O)Nc2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC000370487841 277802011 /nfs/dbraw/zinc/80/20/11/277802011.db2.gz IPRWQHXFWVDVFL-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C(F)F ZINC000337605874 279749283 /nfs/dbraw/zinc/74/92/83/279749283.db2.gz VEQAWAGMBCSNAP-CQSZACIVSA-N 0 0 341.358 3.433 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCC1=O ZINC000362361742 279882252 /nfs/dbraw/zinc/88/22/52/279882252.db2.gz ZVLFXRYMSPQUQG-NSHDSACASA-N 0 0 329.331 3.211 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347863149 280095177 /nfs/dbraw/zinc/09/51/77/280095177.db2.gz ZSMOOZJEZSDRLP-QWRGUYRKSA-N 0 0 345.321 3.196 10 5 EGBERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000192407172 280318879 /nfs/dbraw/zinc/31/88/79/280318879.db2.gz LRZROOIDZVERBT-WFBYXXMGSA-N 0 0 349.774 3.348 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189940560 281017044 /nfs/dbraw/zinc/01/70/44/281017044.db2.gz LYGRDNCVOWSIQP-INIZCTEOSA-N 0 0 326.352 3.465 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)n1 ZINC000342744656 288710799 /nfs/dbraw/zinc/71/07/99/288710799.db2.gz REZXFHBAFRGSRX-HIFRSBDPSA-N 0 0 342.399 3.425 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000184456310 295356952 /nfs/dbraw/zinc/35/69/52/295356952.db2.gz LNXMURHZFASTAC-CYBMUJFWSA-N 0 0 332.385 3.001 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCOc2ccccc21 ZINC000103374953 297499197 /nfs/dbraw/zinc/49/91/97/297499197.db2.gz BNYHSZZRVKDJOD-WBMJQRKESA-N 0 0 338.363 3.439 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000408171679 301681014 /nfs/dbraw/zinc/68/10/14/301681014.db2.gz MIOKIFBBOHRYMA-XJKSGUPXSA-N 0 0 338.429 3.104 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000339065538 304804413 /nfs/dbraw/zinc/80/44/13/304804413.db2.gz GQFPFISBBIHTOK-KBXCAEBGSA-N 0 0 328.368 3.168 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000054165719 307337193 /nfs/dbraw/zinc/33/71/93/307337193.db2.gz CTXZXVADWMADBE-LLVKDONJSA-N 0 0 334.397 3.470 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCc1ccc(F)cc1 ZINC000055023036 307339478 /nfs/dbraw/zinc/33/94/78/307339478.db2.gz JFQFCMSPZWJJKP-UHFFFAOYSA-N 0 0 345.374 3.155 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079431950 307425870 /nfs/dbraw/zinc/42/58/70/307425870.db2.gz UEMKBGYAFUWUEE-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115103332 307480446 /nfs/dbraw/zinc/48/04/46/307480446.db2.gz JXORBLFKPDQAJX-OAHLLOKOSA-N 0 0 339.395 3.302 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000131432757 307643219 /nfs/dbraw/zinc/64/32/19/307643219.db2.gz YVWXUPONPMQFRU-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN CCc1ccc(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134564293 307690073 /nfs/dbraw/zinc/69/00/73/307690073.db2.gz BWAVABQOLZCXMS-RHSMWYFYSA-N 0 0 334.416 3.218 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153216400 307768372 /nfs/dbraw/zinc/76/83/72/307768372.db2.gz DMSJVIXUIVWPAH-KRWDZBQOSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153328001 307770614 /nfs/dbraw/zinc/77/06/14/307770614.db2.gz BWTNSCJVWHMSAQ-CHWSQXEVSA-N 0 0 340.445 3.324 10 5 EGBERN CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000157318073 307844566 /nfs/dbraw/zinc/84/45/66/307844566.db2.gz MNXVCHHKCHRTFH-UHFFFAOYSA-N 0 0 332.447 3.246 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](C2CCC2)C1 ZINC000414396984 309077681 /nfs/dbraw/zinc/07/76/81/309077681.db2.gz HGQUURQEXISSNZ-CQSZACIVSA-N 0 0 339.779 3.281 10 5 EGBERN CCCc1n[nH]c(C(=O)NCc2ccc(C3CC3)cc2F)c1[N+](=O)[O-] ZINC000293598612 308145432 /nfs/dbraw/zinc/14/54/32/308145432.db2.gz HIBKYFJNFZPAKL-UHFFFAOYSA-N 0 0 346.362 3.217 10 5 EGBERN CC(C)(CCC(=O)NCc1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000294249478 308203625 /nfs/dbraw/zinc/20/36/25/308203625.db2.gz CUQZLQZCZLMQCP-UHFFFAOYSA-N 0 0 334.294 3.037 10 5 EGBERN CC(C)(CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000294471103 308223846 /nfs/dbraw/zinc/22/38/46/308223846.db2.gz NKBBERDYOJPLHO-AWEZNQCLSA-N 0 0 340.807 3.075 10 5 EGBERN C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294566336 308233171 /nfs/dbraw/zinc/23/31/71/308233171.db2.gz BSLOUVATVBDPSJ-LBPRGKRZSA-N 0 0 327.388 3.345 10 5 EGBERN O=C(C[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000294825432 308261464 /nfs/dbraw/zinc/26/14/64/308261464.db2.gz ADCGCJSEDCSNMH-LLVKDONJSA-N 0 0 340.339 3.306 10 5 EGBERN CC[C@H](COCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000295333395 308315600 /nfs/dbraw/zinc/31/56/00/308315600.db2.gz FETBHZOBKSMUIJ-MRVPVSSYSA-N 0 0 340.323 3.052 10 5 EGBERN CCc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000295425131 308325552 /nfs/dbraw/zinc/32/55/52/308325552.db2.gz FFYASAPOLGKSLF-NSHDSACASA-N 0 0 333.417 3.096 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000295669702 308349033 /nfs/dbraw/zinc/34/90/33/308349033.db2.gz GYNUZMBLRFDCTF-SECBINFHSA-N 0 0 348.733 3.053 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000295859235 308367968 /nfs/dbraw/zinc/36/79/68/308367968.db2.gz DXKVMMRGJPQOLC-BDAKNGLRSA-N 0 0 348.325 3.244 10 5 EGBERN Cn1cc(CN2CCC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976178 308380663 /nfs/dbraw/zinc/38/06/63/308380663.db2.gz JBMWZJMPJHPBCV-KRWDZBQOSA-N 0 0 332.379 3.319 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000297385431 308529282 /nfs/dbraw/zinc/52/92/82/308529282.db2.gz MMESLYLUAHHTKB-NSHDSACASA-N 0 0 327.340 3.489 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000298098037 308584753 /nfs/dbraw/zinc/58/47/53/308584753.db2.gz AGJYCKDSTCIEMM-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299089041 308659649 /nfs/dbraw/zinc/65/96/49/308659649.db2.gz YWKBBICLJFDGMT-AWEZNQCLSA-N 0 0 348.424 3.426 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(n2cncn2)CC1 ZINC000301128788 308689223 /nfs/dbraw/zinc/68/92/23/308689223.db2.gz WIIYZKKRHUFUNC-UHFFFAOYSA-N 0 0 341.293 3.047 10 5 EGBERN Cc1cc(NCC2(O)CCCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301234521 308692761 /nfs/dbraw/zinc/69/27/61/308692761.db2.gz LAVFFCFBCRJSQM-UHFFFAOYSA-N 0 0 342.399 3.467 10 5 EGBERN CC(=O)N1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21 ZINC000301267013 308694180 /nfs/dbraw/zinc/69/41/80/308694180.db2.gz IFAQVBMNANWHOH-UHFFFAOYSA-N 0 0 332.747 3.296 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000301355032 308697595 /nfs/dbraw/zinc/69/75/95/308697595.db2.gz OCFZRQCCNUQTMV-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN COc1cc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])cc1F ZINC000301612013 308707417 /nfs/dbraw/zinc/70/74/17/308707417.db2.gz FJJDEDMKCGCOQB-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc4ccccc4[nH]3)cc2N1 ZINC000301618975 308707681 /nfs/dbraw/zinc/70/76/81/308707681.db2.gz LPGVHBWDYVORSZ-UHFFFAOYSA-N 0 0 338.323 3.019 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NC/C=C/c3ccccc3)cc2N1 ZINC000301709183 308711953 /nfs/dbraw/zinc/71/19/53/308711953.db2.gz WTLPFSBVBWBTGH-QPJJXVBHSA-N 0 0 325.324 3.051 10 5 EGBERN CC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000301916629 308721498 /nfs/dbraw/zinc/72/14/98/308721498.db2.gz AFNQUTSXIMGDPC-ZETCQYMHSA-N 0 0 347.443 3.080 10 5 EGBERN Cc1c2cc(F)ccc2oc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301954400 308722956 /nfs/dbraw/zinc/72/29/56/308722956.db2.gz DKTJKWQCGGZSPL-UHFFFAOYSA-N 0 0 341.302 3.443 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000302141340 308730592 /nfs/dbraw/zinc/73/05/92/308730592.db2.gz FMJPXVKEIGUYDH-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(C(F)F)cc3)cc2N1 ZINC000302151409 308731065 /nfs/dbraw/zinc/73/10/65/308731065.db2.gz BPBNHPJDHCBVDP-UHFFFAOYSA-N 0 0 349.293 3.475 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cc2c(C)noc2C)c1 ZINC000302198302 308732943 /nfs/dbraw/zinc/73/29/43/308732943.db2.gz UEIGTFLEYQNTFT-SECBINFHSA-N 0 0 333.344 3.029 10 5 EGBERN Cc1cccc(C)c1NC(=O)CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302790938 308745846 /nfs/dbraw/zinc/74/58/46/308745846.db2.gz HAWYMVLPYKPCCT-UHFFFAOYSA-N 0 0 331.347 3.426 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000302792020 308745901 /nfs/dbraw/zinc/74/59/01/308745901.db2.gz YUPJTPYSCSGBDV-GFCCVEGCSA-N 0 0 338.772 3.189 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000330607666 308796784 /nfs/dbraw/zinc/79/67/84/308796784.db2.gz MBVQFZATBBCTKI-ZDUSSCGKSA-N 0 0 330.388 3.087 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411181355 308929924 /nfs/dbraw/zinc/92/99/24/308929924.db2.gz FSEPZWSBSURJFF-WMZOPIPTSA-N 0 0 343.358 3.008 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000412948563 309009474 /nfs/dbraw/zinc/00/94/74/309009474.db2.gz SHYNRCKKYAVEQT-GFCCVEGCSA-N 0 0 349.387 3.113 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000412951194 309009515 /nfs/dbraw/zinc/00/95/15/309009515.db2.gz OKJGHHLXIXXWEK-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN CO[C@@H](CC(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415646579 309139945 /nfs/dbraw/zinc/13/99/45/309139945.db2.gz CMUJUIDATKOBSD-LBPRGKRZSA-N 0 0 345.193 3.357 10 5 EGBERN CC(C)Oc1cc(C(=O)NC(C)(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000415731693 309142442 /nfs/dbraw/zinc/14/24/42/309142442.db2.gz FTEMAXSWUVPMQA-UHFFFAOYSA-N 0 0 334.294 3.453 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416262141 309166430 /nfs/dbraw/zinc/16/64/30/309166430.db2.gz WCASBZOUIKDMIK-LBPRGKRZSA-N 0 0 335.310 3.048 10 5 EGBERN Cc1sc(C(=O)N[C@@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000416332869 309169062 /nfs/dbraw/zinc/16/90/62/309169062.db2.gz NEPCLOZWQRNARH-GFCCVEGCSA-N 0 0 326.418 3.026 10 5 EGBERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416612581 309175138 /nfs/dbraw/zinc/17/51/38/309175138.db2.gz DGAVJUXZZXHYKO-SECBINFHSA-N 0 0 332.809 3.057 10 5 EGBERN O=[N+]([O-])c1cccc(CNc2ccc(F)cc2N2CCOCC2)c1 ZINC000417072557 309191920 /nfs/dbraw/zinc/19/19/20/309191920.db2.gz WVSYNFIJLZLKHW-UHFFFAOYSA-N 0 0 331.347 3.183 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)CCO1 ZINC000420618048 309290337 /nfs/dbraw/zinc/29/03/37/309290337.db2.gz LMCBBUPSKLPDFN-VHSXEESVSA-N 0 0 344.209 3.430 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)CC12CCC2 ZINC000420989110 309306338 /nfs/dbraw/zinc/30/63/38/309306338.db2.gz BUUVPVBBHPBYTK-MRXNPFEDSA-N 0 0 334.416 3.261 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnc(CC2CC2)nc1 ZINC000421544865 309329199 /nfs/dbraw/zinc/32/91/99/309329199.db2.gz RSPKSPZFKMAEKD-UHFFFAOYSA-N 0 0 326.356 3.206 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421591744 309331101 /nfs/dbraw/zinc/33/11/01/309331101.db2.gz QKZZKALOWWSHSB-SNVBAGLBSA-N 0 0 326.443 3.228 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421794785 309340351 /nfs/dbraw/zinc/34/03/51/309340351.db2.gz DNLAIRUOLWIRTQ-ZDUSSCGKSA-N 0 0 334.397 3.045 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000421922871 309346497 /nfs/dbraw/zinc/34/64/97/309346497.db2.gz UVNYPAFOMVLVPV-LLVKDONJSA-N 0 0 345.424 3.339 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)CC12CCC2 ZINC000422020493 309351356 /nfs/dbraw/zinc/35/13/56/309351356.db2.gz LKZHPSKXUXQGDT-WBVHZDCISA-N 0 0 346.427 3.070 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426662641 309512088 /nfs/dbraw/zinc/51/20/88/309512088.db2.gz GSIKSRFCCKWMOF-INIZCTEOSA-N 0 0 342.395 3.326 10 5 EGBERN COC1CCC(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000426894652 309519462 /nfs/dbraw/zinc/51/94/62/309519462.db2.gz CUESSIWWOCREEL-UHFFFAOYSA-N 0 0 347.415 3.104 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C ZINC000427278901 309526399 /nfs/dbraw/zinc/52/63/99/309526399.db2.gz DIYJQNBKTOWCME-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427449481 309529207 /nfs/dbraw/zinc/52/92/07/309529207.db2.gz HNBGNVKGTHXHSE-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3)CCCCC2)n1 ZINC000427606412 309532078 /nfs/dbraw/zinc/53/20/78/309532078.db2.gz KGIMMZITMQYIGK-UHFFFAOYSA-N 0 0 342.399 3.401 10 5 EGBERN Cc1nc(C(F)(F)F)c(COc2ccc([N+](=O)[O-])c(CO)c2)s1 ZINC000428078558 309541759 /nfs/dbraw/zinc/54/17/59/309541759.db2.gz IJMDETULZZZTOY-UHFFFAOYSA-N 0 0 348.302 3.450 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430217741 309601911 /nfs/dbraw/zinc/60/19/11/309601911.db2.gz LKZJDVOQWWKQDC-LBPRGKRZSA-N 0 0 339.189 3.420 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2(CCC2)C[C@H]1C ZINC000432312207 309656945 /nfs/dbraw/zinc/65/69/45/309656945.db2.gz GHSYCWZNWZIRJQ-CYBMUJFWSA-N 0 0 338.429 3.165 10 5 EGBERN O=C1[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCN1c1ccccc1 ZINC000432325475 309657473 /nfs/dbraw/zinc/65/74/73/309657473.db2.gz KYADPIIKLNBFBY-INIZCTEOSA-N 0 0 348.362 3.360 10 5 EGBERN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCCC1 ZINC000432550205 309663473 /nfs/dbraw/zinc/66/34/73/309663473.db2.gz RPJRYPDESDYHBA-UHFFFAOYSA-N 0 0 328.372 3.393 10 5 EGBERN Cc1nc([C@@](C)(NCc2ccc([N+](=O)[O-])cc2Cl)C2CC2)no1 ZINC000433306478 309685372 /nfs/dbraw/zinc/68/53/72/309685372.db2.gz RGXVNVAHSHVGDV-HNNXBMFYSA-N 0 0 336.779 3.355 10 5 EGBERN Cc1nc([C@](C)(NCc2c(Cl)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000433306050 309685460 /nfs/dbraw/zinc/68/54/60/309685460.db2.gz POVLFBRJEGDSIY-OAHLLOKOSA-N 0 0 336.779 3.355 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433557531 309691105 /nfs/dbraw/zinc/69/11/05/309691105.db2.gz HCFXSFFLKXQFSF-DIFFPNOSSA-N 0 0 344.342 3.198 10 5 EGBERN CCOc1ccc(C(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000435142927 309726410 /nfs/dbraw/zinc/72/64/10/309726410.db2.gz ZAHBCCPIDVYHGT-UHFFFAOYSA-N 0 0 332.360 3.103 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC(C)=C[C@@H](C)C2)cc1SC ZINC000435261702 309728106 /nfs/dbraw/zinc/72/81/06/309728106.db2.gz CIQKTTGUQQNTDO-SNVBAGLBSA-N 0 0 336.413 3.364 10 5 EGBERN Cc1ccc(NCCCNC(=O)N2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000435567062 309734953 /nfs/dbraw/zinc/73/49/53/309734953.db2.gz PFRFNYJKNJWCGV-UHFFFAOYSA-N 0 0 332.404 3.043 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C)cc(OC)c1O)c1cccc([N+](=O)[O-])c1 ZINC000436571057 309761793 /nfs/dbraw/zinc/76/17/93/309761793.db2.gz BVINYCYFVLETIJ-OAHLLOKOSA-N 0 0 344.367 3.499 10 5 EGBERN O=C(NCC1=CCOCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455093963 310344354 /nfs/dbraw/zinc/34/43/54/310344354.db2.gz GDVZSWAYKFJBEM-UHFFFAOYSA-N 0 0 345.277 3.082 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000437416557 309792080 /nfs/dbraw/zinc/79/20/80/309792080.db2.gz HWBSNAPWTBMERM-GFCCVEGCSA-N 0 0 340.383 3.397 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000438807436 309820239 /nfs/dbraw/zinc/82/02/39/309820239.db2.gz HBGGFVPQKZNOJM-UHFFFAOYSA-N 0 0 329.308 3.033 10 5 EGBERN Cc1c(CC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000438924061 309822479 /nfs/dbraw/zinc/82/24/79/309822479.db2.gz VZFJTDPLEUQDBC-QGZVFWFLSA-N 0 0 344.415 3.083 10 5 EGBERN CCC1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000438939934 309822726 /nfs/dbraw/zinc/82/27/26/309822726.db2.gz AIDLWFUUOBVDQM-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000439894980 309841755 /nfs/dbraw/zinc/84/17/55/309841755.db2.gz DSDZHPXILXINAU-SRVKXCTJSA-N 0 0 337.376 3.023 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000441474566 309873121 /nfs/dbraw/zinc/87/31/21/309873121.db2.gz QXGWVZKKDJLWMU-PWSUYJOCSA-N 0 0 326.780 3.196 10 5 EGBERN COc1cc(CSCCC2(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000443145637 309895901 /nfs/dbraw/zinc/89/59/01/309895901.db2.gz SHVQTSSJHAEGFZ-UHFFFAOYSA-N 0 0 349.355 3.353 10 5 EGBERN CC(C)c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443681553 309906807 /nfs/dbraw/zinc/90/68/07/309906807.db2.gz KFJKBPZLMIVYFG-UHFFFAOYSA-N 0 0 348.424 3.338 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc2ccccc2n1 ZINC000445815002 309948081 /nfs/dbraw/zinc/94/80/81/309948081.db2.gz FQXZJGMNWNZSSR-UHFFFAOYSA-N 0 0 335.363 3.392 10 5 EGBERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000445824201 309948537 /nfs/dbraw/zinc/94/85/37/309948537.db2.gz CVGOOZIAGCNKCN-UHFFFAOYSA-N 0 0 348.305 3.152 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000446017876 309953444 /nfs/dbraw/zinc/95/34/44/309953444.db2.gz AVEHXYGVIBGZRP-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ncsc2C1)c1cccc([N+](=O)[O-])c1 ZINC000446679253 309965824 /nfs/dbraw/zinc/96/58/24/309965824.db2.gz XNRDZNNRVLGLOS-ZDUSSCGKSA-N 0 0 346.412 3.270 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCc4c(F)cc(F)cc4C3)nc2c1 ZINC000447685030 309985691 /nfs/dbraw/zinc/98/56/91/309985691.db2.gz HGJORKZUHUJQEE-UHFFFAOYSA-N 0 0 330.294 3.312 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000448493563 310004815 /nfs/dbraw/zinc/00/48/15/310004815.db2.gz XKVGBUMRFYWXRW-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN O=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448560501 310006207 /nfs/dbraw/zinc/00/62/07/310006207.db2.gz APBNPIJFJZPSKZ-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000449793453 310087615 /nfs/dbraw/zinc/08/76/15/310087615.db2.gz WWYDLHZZDORARC-NEPJUHHUSA-N 0 0 326.352 3.409 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449904686 310093368 /nfs/dbraw/zinc/09/33/68/310093368.db2.gz XIWGVXCELCJFHB-GFCCVEGCSA-N 0 0 328.372 3.390 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450371268 310118627 /nfs/dbraw/zinc/11/86/27/310118627.db2.gz FYRUFTBKXMCLMN-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000450410126 310120760 /nfs/dbraw/zinc/12/07/60/310120760.db2.gz XCAHMULCKZPZQS-KCPJHIHWSA-N 0 0 328.372 3.231 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)[C@@H](OC)C1 ZINC000450466632 310124391 /nfs/dbraw/zinc/12/43/91/310124391.db2.gz BAFUOEUZIKVBBI-BZNIZROVSA-N 0 0 331.372 3.013 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2nc3ccccc3s2)cn1 ZINC000450506125 310127164 /nfs/dbraw/zinc/12/71/64/310127164.db2.gz HNNFAAWGVSCCTJ-ZDUSSCGKSA-N 0 0 342.380 3.177 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2ncccc2C)c1 ZINC000450724980 310139577 /nfs/dbraw/zinc/13/95/77/310139577.db2.gz PEZPAODZAQXGFO-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CCc1nn(C)c(Nc2ccc3c(ccnc3OC)c2)c1[N+](=O)[O-] ZINC000450758326 310141229 /nfs/dbraw/zinc/14/12/29/310141229.db2.gz IZYPRJHYUIXXIP-UHFFFAOYSA-N 0 0 327.344 3.191 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@]2(CCOC2)C1 ZINC000450887456 310147881 /nfs/dbraw/zinc/14/78/81/310147881.db2.gz YVWHEHAILGVUDG-CQSZACIVSA-N 0 0 341.205 3.364 10 5 EGBERN CSc1cccc(C(=O)NCCCC2CCOCC2)c1[N+](=O)[O-] ZINC000452197003 310218072 /nfs/dbraw/zinc/21/80/72/310218072.db2.gz FVKHPAGPCNPPHB-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN CCOC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000452283763 310221470 /nfs/dbraw/zinc/22/14/70/310221470.db2.gz JYJLHEOVPRXPDZ-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN C[C@@]12CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587907 310233378 /nfs/dbraw/zinc/23/33/78/310233378.db2.gz BBYKEEGQYUVHPX-KTFSFXJSSA-N 0 0 337.379 3.360 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452599917 310234090 /nfs/dbraw/zinc/23/40/90/310234090.db2.gz VFRZPYWNDXERPR-SCRDCRAPSA-N 0 0 338.429 3.120 10 5 EGBERN CC(F)(F)CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000452603322 310234326 /nfs/dbraw/zinc/23/43/26/310234326.db2.gz OHRGRWXCJKKSEA-UHFFFAOYSA-N 0 0 326.221 3.389 10 5 EGBERN COCCC(C)(C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453234606 310265829 /nfs/dbraw/zinc/26/58/29/310265829.db2.gz JDSOATMBKLRRJY-UHFFFAOYSA-N 0 0 346.387 3.317 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CSc4ccccc43)no2)n1 ZINC000453233527 310265830 /nfs/dbraw/zinc/26/58/30/310265830.db2.gz WIPYFUWOPMKBBW-SNVBAGLBSA-N 0 0 343.368 3.099 10 5 EGBERN C[C@@]1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCCO1 ZINC000453240210 310266136 /nfs/dbraw/zinc/26/61/36/310266136.db2.gz RWELWVPUKYWCDJ-INIZCTEOSA-N 0 0 330.344 3.029 10 5 EGBERN Cc1cc(-c2noc(-c3nn(C)c4c3CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000453259337 310267336 /nfs/dbraw/zinc/26/73/36/310267336.db2.gz IIGOFNDPXLEDBA-UHFFFAOYSA-N 0 0 339.355 3.233 10 5 EGBERN COc1ccc(CSCc2nc(C3(C)CC3)no2)cc1[N+](=O)[O-] ZINC000453320536 310270817 /nfs/dbraw/zinc/27/08/17/310270817.db2.gz MITCMXSIMVVCGW-UHFFFAOYSA-N 0 0 335.385 3.471 10 5 EGBERN Cc1c(NC(=O)N2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000454192592 310296404 /nfs/dbraw/zinc/29/64/04/310296404.db2.gz BCDQWWPRXDYZRJ-CQSZACIVSA-N 0 0 333.388 3.326 10 5 EGBERN C[C@]1(F)CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000454762653 310328055 /nfs/dbraw/zinc/32/80/55/310328055.db2.gz CKJMEIXYYGLEPH-HNNXBMFYSA-N 0 0 343.786 3.324 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765249 310328163 /nfs/dbraw/zinc/32/81/63/310328163.db2.gz PXJPXDUQTZNVMF-JGGQBBKZSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1(C2CCC2)CCC1 ZINC000454769171 310328392 /nfs/dbraw/zinc/32/83/92/310328392.db2.gz SZGXRESGGVZXRB-UHFFFAOYSA-N 0 0 343.427 3.214 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000455354993 310357069 /nfs/dbraw/zinc/35/70/69/310357069.db2.gz GMNFKHXFXJQMNK-KRWDZBQOSA-N 0 0 349.387 3.028 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]1C1CC1 ZINC000455397810 310358854 /nfs/dbraw/zinc/35/88/54/310358854.db2.gz GXEHMXBMBNGETD-LBPRGKRZSA-N 0 0 340.177 3.374 10 5 EGBERN C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000455406258 310359265 /nfs/dbraw/zinc/35/92/65/310359265.db2.gz UYSNVFJQVIRPEP-ZETCQYMHSA-N 0 0 328.166 3.277 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000456084091 310387807 /nfs/dbraw/zinc/38/78/07/310387807.db2.gz GIHCKOHIONKMPF-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456307922 310397662 /nfs/dbraw/zinc/39/76/62/310397662.db2.gz ULSXKVNXBHJNCP-DOTOQJQBSA-N 0 0 325.368 3.337 10 5 EGBERN CCCc1ncc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000456535211 310410961 /nfs/dbraw/zinc/41/09/61/310410961.db2.gz OTCMDIWRRDGTQV-UHFFFAOYSA-N 0 0 344.371 3.040 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C2(C)CC2)CC1 ZINC000456654554 310416390 /nfs/dbraw/zinc/41/63/90/310416390.db2.gz XNKUHPMJERONHV-JTQLQIEISA-N 0 0 338.791 3.464 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000456806348 310423228 /nfs/dbraw/zinc/42/32/28/310423228.db2.gz YDABNZLLTCQXGR-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN COC[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457037867 310433615 /nfs/dbraw/zinc/43/36/15/310433615.db2.gz MHPDCASTJFQWCB-HNNXBMFYSA-N 0 0 349.431 3.062 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000457086368 310436571 /nfs/dbraw/zinc/43/65/71/310436571.db2.gz OJDDIDPXMPRJFV-CYBMUJFWSA-N 0 0 343.383 3.032 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000458885711 310524881 /nfs/dbraw/zinc/52/48/81/310524881.db2.gz HFGAEYJUHHPMPQ-KBPBESRZSA-N 0 0 335.404 3.114 10 5 EGBERN CC1(CO)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459620460 310564701 /nfs/dbraw/zinc/56/47/01/310564701.db2.gz LHARDRZHJQYLRE-UHFFFAOYSA-N 0 0 336.775 3.322 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)CC1 ZINC000460206246 310580858 /nfs/dbraw/zinc/58/08/58/310580858.db2.gz MPEORXRKTZELRJ-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000462410312 310599427 /nfs/dbraw/zinc/59/94/27/310599427.db2.gz OHOVTPRVKRVELB-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000462498777 310600823 /nfs/dbraw/zinc/60/08/23/310600823.db2.gz GJEQJPJRAUSDQT-KBPBESRZSA-N 0 0 338.429 3.150 10 5 EGBERN O=[N+]([O-])c1cnc(N(CCC(F)(F)F)Cc2ccccc2)nc1 ZINC000477712429 310848293 /nfs/dbraw/zinc/84/82/93/310848293.db2.gz MKJGXHVOWPLMPI-UHFFFAOYSA-N 0 0 326.278 3.344 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000480720864 310899810 /nfs/dbraw/zinc/89/98/10/310899810.db2.gz LKGQRXWYWZNSFN-ZDUSSCGKSA-N 0 0 326.418 3.165 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@@H]2O)nc1-c1ccc(F)cc1 ZINC000485404111 310977139 /nfs/dbraw/zinc/97/71/39/310977139.db2.gz XVLYETORPLQXQE-CJNGLKHVSA-N 0 0 345.374 3.181 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000486681750 310996935 /nfs/dbraw/zinc/99/69/35/310996935.db2.gz JLCGNYFZMQSGIK-LLVKDONJSA-N 0 0 348.371 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2(C)CCCC2)c1C ZINC000486925458 311002276 /nfs/dbraw/zinc/00/22/76/311002276.db2.gz FYZMLZGUAPQSKK-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000487106619 311011101 /nfs/dbraw/zinc/01/11/01/311011101.db2.gz IHAXCXGPMODCDJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc(F)ccc1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000488083869 311050613 /nfs/dbraw/zinc/05/06/13/311050613.db2.gz ZIHYNDSEQOLDHI-UHFFFAOYSA-N 0 0 345.374 3.421 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccccc1-n1cccn1 ZINC000488089716 311050799 /nfs/dbraw/zinc/05/07/99/311050799.db2.gz NJZODCYGLJDQTE-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCSCC(F)(F)F ZINC000488108059 311051785 /nfs/dbraw/zinc/05/17/85/311051785.db2.gz SCUCLQZVPJDDSA-UHFFFAOYSA-N 0 0 331.319 3.272 10 5 EGBERN COCC[C@@H](Cc1ccco1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488129297 311052684 /nfs/dbraw/zinc/05/26/84/311052684.db2.gz QZEQEPGUDALUOM-ZDUSSCGKSA-N 0 0 341.367 3.218 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000488405810 311063678 /nfs/dbraw/zinc/06/36/78/311063678.db2.gz BKEBVZHITHPVRW-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000488700898 311075427 /nfs/dbraw/zinc/07/54/27/311075427.db2.gz WASQTLAKNBRSES-CYBMUJFWSA-N 0 0 340.445 3.493 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000488735013 311077240 /nfs/dbraw/zinc/07/72/40/311077240.db2.gz MXZOJNIGJHTJOE-LBPRGKRZSA-N 0 0 342.351 3.169 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000488790512 311080254 /nfs/dbraw/zinc/08/02/54/311080254.db2.gz IPIOYPQZECTTHH-GHMZBOCLSA-N 0 0 332.447 3.149 10 5 EGBERN C[C@H]1CSCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000489567403 311112308 /nfs/dbraw/zinc/11/23/08/311112308.db2.gz WPGYVFUXROMURC-SECBINFHSA-N 0 0 346.355 3.021 10 5 EGBERN Cc1cccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Cl ZINC000489950036 311127015 /nfs/dbraw/zinc/12/70/15/311127015.db2.gz CTEUUIFJZIBSBP-UHFFFAOYSA-N 0 0 345.786 3.079 10 5 EGBERN C[C@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000492324977 311238350 /nfs/dbraw/zinc/23/83/50/311238350.db2.gz SLFXQHDHLLRQEX-OEYXZAGESA-N 0 0 348.362 3.429 10 5 EGBERN Cc1cnc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O)c1 ZINC000495111232 311538837 /nfs/dbraw/zinc/53/88/37/311538837.db2.gz KWOYKRHDORSREY-UHFFFAOYSA-N 0 0 329.356 3.055 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000497296646 311851526 /nfs/dbraw/zinc/85/15/26/311851526.db2.gz UAAIOVMUHCTMFJ-GFCCVEGCSA-N 0 0 329.356 3.356 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000498324665 311881206 /nfs/dbraw/zinc/88/12/06/311881206.db2.gz VZMXZUZUGQSQLJ-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000501050746 311937319 /nfs/dbraw/zinc/93/73/19/311937319.db2.gz GXWHPZSNDPIPJK-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2nsnc2c1 ZINC000502764850 311972076 /nfs/dbraw/zinc/97/20/76/311972076.db2.gz BSNOBCOCSXMGLY-VIFPVBQESA-N 0 0 340.364 3.191 10 5 EGBERN CCN(CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513380815 312208605 /nfs/dbraw/zinc/20/86/05/312208605.db2.gz MKEGTVHRFHRHFA-UHFFFAOYSA-N 0 0 334.397 3.318 10 5 EGBERN COC(=O)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000514098371 312225023 /nfs/dbraw/zinc/22/50/23/312225023.db2.gz DGNHQWBIJVSVIH-NSHDSACASA-N 0 0 346.202 3.401 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514867577 312251001 /nfs/dbraw/zinc/25/10/01/312251001.db2.gz KKLGSLFBUFUKQX-SKDRFNHKSA-N 0 0 348.321 3.141 10 5 EGBERN COc1ncccc1-c1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000516342981 312320652 /nfs/dbraw/zinc/32/06/52/312320652.db2.gz GSFTWFLXVQZQET-SNVBAGLBSA-N 0 0 326.312 3.200 10 5 EGBERN CC(C)(C(=O)N[C@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000516787159 312342548 /nfs/dbraw/zinc/34/25/48/312342548.db2.gz OHLIJTWSDIZTKY-KRWDZBQOSA-N 0 0 339.395 3.258 10 5 EGBERN Cc1ccccc1[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000517215371 312368628 /nfs/dbraw/zinc/36/86/28/312368628.db2.gz CKLTYTWOEPRNOL-QGZVFWFLSA-N 0 0 338.367 3.357 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000517352532 312375854 /nfs/dbraw/zinc/37/58/54/312375854.db2.gz DAJYZMDAQWSFOS-ZDUSSCGKSA-N 0 0 333.388 3.123 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000519602704 312463952 /nfs/dbraw/zinc/46/39/52/312463952.db2.gz GLYSVHOFIWIQPC-ZDUSSCGKSA-N 0 0 325.368 3.419 10 5 EGBERN C[C@H](Cc1ccsc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000524202972 312649130 /nfs/dbraw/zinc/64/91/30/312649130.db2.gz VDFNHJVYSIODEG-SNVBAGLBSA-N 0 0 329.381 3.499 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1coc2cc(F)ccc12 ZINC000527245480 312845803 /nfs/dbraw/zinc/84/58/03/312845803.db2.gz RBXMJBZMXSXBDZ-UHFFFAOYSA-N 0 0 344.298 3.289 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1c1cccc(F)c1 ZINC000530596218 313561029 /nfs/dbraw/zinc/56/10/29/313561029.db2.gz MEQQHRVYYCUCSX-BZNIZROVSA-N 0 0 331.347 3.296 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1c1cccc(F)c1 ZINC000530596217 313561407 /nfs/dbraw/zinc/56/14/07/313561407.db2.gz MEQQHRVYYCUCSX-BDJLRTHQSA-N 0 0 331.347 3.296 10 5 EGBERN CCn1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)c1C ZINC000531881906 313725730 /nfs/dbraw/zinc/72/57/30/313725730.db2.gz WLPIPNQDMHWIKB-UHFFFAOYSA-N 0 0 346.387 3.135 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1cnn(CC(F)(F)F)c1 ZINC000532499660 313807581 /nfs/dbraw/zinc/80/75/81/313807581.db2.gz FKKYVRSHXYUFHG-UHFFFAOYSA-N 0 0 335.673 3.014 10 5 EGBERN O=C1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000535720245 314062457 /nfs/dbraw/zinc/06/24/57/314062457.db2.gz IWFBVYJSQIRIQA-QGZVFWFLSA-N 0 0 348.362 3.360 10 5 EGBERN NC(=O)C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CCCCC1 ZINC000535719713 314062623 /nfs/dbraw/zinc/06/26/23/314062623.db2.gz XPPIMWZUHJCDCC-MRXNPFEDSA-N 0 0 342.399 3.379 10 5 EGBERN COc1ccc(CNC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000540986613 314427894 /nfs/dbraw/zinc/42/78/94/314427894.db2.gz ADBKIVRWSYVBHS-SCLBCKFNSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541035182 314430237 /nfs/dbraw/zinc/43/02/37/314430237.db2.gz PJFQNWCUJVHVJP-KBXCAEBGSA-N 0 0 331.416 3.359 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CC=CCC1 ZINC000541315747 314448871 /nfs/dbraw/zinc/44/88/71/314448871.db2.gz PGRROPPDVSFSNF-ZDUSSCGKSA-N 0 0 333.388 3.101 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(CCOCCOc1ccccc1)CC2 ZINC000541658172 314477923 /nfs/dbraw/zinc/47/79/23/314477923.db2.gz GEBSODWJUMEIDC-UHFFFAOYSA-N 0 0 328.368 3.053 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000541933307 314506165 /nfs/dbraw/zinc/50/61/65/314506165.db2.gz LWPOTLVWKSDTNF-LLVKDONJSA-N 0 0 333.310 3.154 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000541936228 314506782 /nfs/dbraw/zinc/50/67/82/314506782.db2.gz SKMTZMZTTPLHTC-UHFFFAOYSA-N 0 0 335.404 3.165 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000543137933 314606944 /nfs/dbraw/zinc/60/69/44/314606944.db2.gz YRWSFAQHGRBIHH-UHFFFAOYSA-N 0 0 346.362 3.418 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543821182 314658053 /nfs/dbraw/zinc/65/80/53/314658053.db2.gz REHDGTLJOYSXFR-DTORHVGOSA-N 0 0 346.355 3.162 10 5 EGBERN C[C@@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(F)(F)F ZINC000546528162 314831841 /nfs/dbraw/zinc/83/18/41/314831841.db2.gz JXUDHTNCBDKECJ-ZETCQYMHSA-N 0 0 347.318 3.132 10 5 EGBERN C[C@@H]1C[C@@H](C)N1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424342 315008214 /nfs/dbraw/zinc/00/82/14/315008214.db2.gz QZECVFMOYKWYIW-GHMZBOCLSA-N 0 0 346.412 3.140 10 5 EGBERN CCc1cccc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000550599663 315130900 /nfs/dbraw/zinc/13/09/00/315130900.db2.gz ZWYIMAPFMVWVIQ-HNNXBMFYSA-N 0 0 331.368 3.284 10 5 EGBERN COc1cc(Cc2noc(-c3sccc3F)n2)ccc1[N+](=O)[O-] ZINC000551027586 315140419 /nfs/dbraw/zinc/14/04/19/315140419.db2.gz WPMLJKFKPCRMID-UHFFFAOYSA-N 0 0 335.316 3.445 10 5 EGBERN O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])cn1 ZINC000554540073 315329713 /nfs/dbraw/zinc/32/97/13/315329713.db2.gz NSCBNBCQMCUTQD-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])c3cccc1c32 ZINC000554862890 315353625 /nfs/dbraw/zinc/35/36/25/315353625.db2.gz BYDJXOSFMTWYJR-QMTHXVAHSA-N 0 0 340.383 3.348 10 5 EGBERN COc1ccc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000558285057 315558758 /nfs/dbraw/zinc/55/87/58/315558758.db2.gz IHRJZWCRPVBASD-JTQLQIEISA-N 0 0 326.312 3.200 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCc2ccccc21 ZINC000561673048 315775520 /nfs/dbraw/zinc/77/55/20/315775520.db2.gz UEUJKNMNPVXHFR-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(C2CC2)CC1 ZINC000564075399 316109460 /nfs/dbraw/zinc/10/94/60/316109460.db2.gz JXQYUVPIOXYWGE-UHFFFAOYSA-N 0 0 342.399 3.108 10 5 EGBERN CN1C(=O)Cc2cc(OCc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000564397116 316146401 /nfs/dbraw/zinc/14/64/01/316146401.db2.gz HUKQTDIPVWMBSH-UHFFFAOYSA-N 0 0 332.743 3.346 10 5 EGBERN CN1CCO[C@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537847 316336921 /nfs/dbraw/zinc/33/69/21/316336921.db2.gz ZDAJNUYRBFIAMD-VIFPVBQESA-N 0 0 336.335 3.036 10 5 EGBERN Cc1cc(NCC(C)(C)C[NH+]2CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566858966 316537027 /nfs/dbraw/zinc/53/70/27/316537027.db2.gz XLISNYMNWPROAP-UHFFFAOYSA-N 0 0 335.404 3.135 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000570696871 317096256 /nfs/dbraw/zinc/09/62/56/317096256.db2.gz WSBXVNCEBSPYNK-CYBMUJFWSA-N 0 0 330.388 3.350 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000571820534 317252384 /nfs/dbraw/zinc/25/23/84/317252384.db2.gz SEHOSECBMKBJMA-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](OC(F)F)C2)c1 ZINC000572501280 317349168 /nfs/dbraw/zinc/34/91/68/317349168.db2.gz FWDFKSJRLCCRQV-JTQLQIEISA-N 0 0 340.248 3.427 10 5 EGBERN COCc1csc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000115242078 455007315 /nfs/dbraw/zinc/00/73/15/455007315.db2.gz PCOOKTYMTQPLFU-UHFFFAOYSA-N 0 0 339.398 3.172 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC1CCC1 ZINC000574375694 317590930 /nfs/dbraw/zinc/59/09/30/317590930.db2.gz PKOVDXDSWHBLQJ-MRXNPFEDSA-N 0 0 334.416 3.096 10 5 EGBERN COC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000171424982 323234785 /nfs/dbraw/zinc/23/47/85/323234785.db2.gz MQUHYYWNAHBSQJ-AWEZNQCLSA-N 0 0 334.759 3.366 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ncn(C2CCCCC2)n1 ZINC000184515831 323662503 /nfs/dbraw/zinc/66/25/03/323662503.db2.gz HEKYIYQWLVXSHY-UHFFFAOYSA-N 0 0 344.375 3.013 10 5 EGBERN Cc1coc(C)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575834837 324488712 /nfs/dbraw/zinc/48/87/12/324488712.db2.gz DKDUFPIAKKCBTA-UHFFFAOYSA-N 0 0 327.340 3.258 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000578119508 324921844 /nfs/dbraw/zinc/92/18/44/324921844.db2.gz MHPPBJIYDLKPMW-HNNXBMFYSA-N 0 0 332.400 3.161 10 5 EGBERN CO[C@H](C)c1nc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)cs1 ZINC000579354344 325099082 /nfs/dbraw/zinc/09/90/82/325099082.db2.gz YTMLQLWYIBJHQK-SNVBAGLBSA-N 0 0 345.380 3.122 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC1CCC1 ZINC000579421585 325105536 /nfs/dbraw/zinc/10/55/36/325105536.db2.gz XCUWZWCATMVVTI-UHFFFAOYSA-N 0 0 349.431 3.332 10 5 EGBERN CC(C)Cn1nccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000579476804 325116215 /nfs/dbraw/zinc/11/62/15/325116215.db2.gz PCIOGVKSSRPJNM-GFCCVEGCSA-N 0 0 328.372 3.039 10 5 EGBERN O=C(NCc1ccncc1C(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000579912903 325174766 /nfs/dbraw/zinc/17/47/66/325174766.db2.gz OEJFEJKIWUWKFK-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000579965750 325183971 /nfs/dbraw/zinc/18/39/71/325183971.db2.gz PJGBORPRZYNXCG-CZUORRHYSA-N 0 0 349.431 3.040 10 5 EGBERN C[C@@H](C(=O)N1CCC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000581048724 325323820 /nfs/dbraw/zinc/32/38/20/325323820.db2.gz BSSDBQYQPRCRKL-GFCCVEGCSA-N 0 0 339.351 3.074 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)C2)c1 ZINC000581320993 325352126 /nfs/dbraw/zinc/35/21/26/325352126.db2.gz UPHAKEKPKKNSJC-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN COc1ccc2occ(C(=O)NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000581408243 325358332 /nfs/dbraw/zinc/35/83/32/325358332.db2.gz PWMOOPIAZVFYNG-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000583393260 325520308 /nfs/dbraw/zinc/52/03/08/325520308.db2.gz BQNFGMJTEMBVSH-SFHVURJKSA-N 0 0 343.358 3.375 10 5 EGBERN CC[C@](C)(C(=O)OC)N(Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000425351773 457514121 /nfs/dbraw/zinc/51/41/21/457514121.db2.gz VUWFDWIBEJUTRC-OAHLLOKOSA-N 0 0 326.418 3.210 10 5 EGBERN Cc1ccc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000183074154 455223481 /nfs/dbraw/zinc/22/34/81/455223481.db2.gz IDKQHYFXAPPKCQ-NSHDSACASA-N 0 0 328.328 3.397 10 5 EGBERN O=[N+]([O-])c1cc(CNC2(c3noc(C4CC4)n3)CCCC2)cs1 ZINC000237996661 455243367 /nfs/dbraw/zinc/24/33/67/455243367.db2.gz WIDVLWTZFYWHLJ-UHFFFAOYSA-N 0 0 334.401 3.476 10 5 EGBERN Cc1c(CNC(=O)c2c(N)cccc2[N+](=O)[O-])oc2ccccc12 ZINC000180784722 455244972 /nfs/dbraw/zinc/24/49/72/455244972.db2.gz VTABWTZYYVREEH-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN CCOC(=O)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000158008560 455258555 /nfs/dbraw/zinc/25/85/55/455258555.db2.gz WWKGRRCWJWKQIA-UHFFFAOYSA-N 0 0 349.412 3.007 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620149661 460548915 /nfs/dbraw/zinc/54/89/15/460548915.db2.gz CQZCXWROPFIMMK-CVEARBPZSA-N 0 0 332.403 3.497 10 5 EGBERN CC(C)n1nnnc1CSCc1ccc([N+](=O)[O-])cc1Cl ZINC000181094790 455285840 /nfs/dbraw/zinc/28/58/40/455285840.db2.gz DAOVOLNSUKAEDO-UHFFFAOYSA-N 0 0 327.797 3.249 10 5 EGBERN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@@H](O)C(F)(F)F ZINC000158493253 455307901 /nfs/dbraw/zinc/30/79/01/455307901.db2.gz KGCBHJZVDUDZND-OAHLLOKOSA-N 0 0 341.285 3.488 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000173573930 455308579 /nfs/dbraw/zinc/30/85/79/455308579.db2.gz LQKVKIMGQRXEDI-MRXNPFEDSA-N 0 0 331.347 3.440 10 5 EGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245515897 455320022 /nfs/dbraw/zinc/32/00/22/455320022.db2.gz FCDVZMFFTCULGT-NQBHXWOUSA-N 0 0 332.356 3.117 10 5 EGBERN CC(C)C(C(C)C)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600701184 460572536 /nfs/dbraw/zinc/57/25/36/460572536.db2.gz NRVVKDTZOAWWME-KRWDZBQOSA-N 0 0 333.388 3.042 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000005453826 452874979 /nfs/dbraw/zinc/87/49/79/452874979.db2.gz JVNDNKXTXRRNLM-ZDUSSCGKSA-N 0 0 344.367 3.029 10 5 EGBERN CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000006837650 452995600 /nfs/dbraw/zinc/99/56/00/452995600.db2.gz GZERFCBBRMFTIX-UHFFFAOYSA-N 0 0 327.365 3.406 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(Cc2cccs2)C1 ZINC000600760800 460593559 /nfs/dbraw/zinc/59/35/59/460593559.db2.gz LPTYBALXVAIXEU-UHFFFAOYSA-N 0 0 346.408 3.370 10 5 EGBERN Cc1nc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000012735534 453395121 /nfs/dbraw/zinc/39/51/21/453395121.db2.gz BXJXPWKCUYWLKR-UHFFFAOYSA-N 0 0 327.296 3.062 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cs/c(=N/c3ccccc3)n2CCO)cc1 ZINC000018145761 453645241 /nfs/dbraw/zinc/64/52/41/453645241.db2.gz SLQVUUDOKHUMEC-ISLYRVAYSA-N 0 0 341.392 3.350 10 5 EGBERN Cc1nn([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000021549795 453677092 /nfs/dbraw/zinc/67/70/92/453677092.db2.gz DHAPHSQHKFZVAG-OAHLLOKOSA-N 0 0 344.415 3.406 10 5 EGBERN CCc1cc2c(ncnc2NC[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024057148 453723627 /nfs/dbraw/zinc/72/36/27/453723627.db2.gz GSFHDASKEYCSJJ-AWEZNQCLSA-N 0 0 344.396 3.307 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1[N+](=O)[O-] ZINC000025668130 453782265 /nfs/dbraw/zinc/78/22/65/453782265.db2.gz MKTCOGWAFRPMIB-UHFFFAOYSA-N 0 0 332.385 3.212 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000027599467 453819501 /nfs/dbraw/zinc/81/95/01/453819501.db2.gz DUGOBELKLIKMMQ-AWEZNQCLSA-N 0 0 333.432 3.236 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC2CCCC2)c1C ZINC000030427103 453835949 /nfs/dbraw/zinc/83/59/49/453835949.db2.gz IGQDMEFGXJGEQX-UHFFFAOYSA-N 0 0 326.418 3.070 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000075140954 453865920 /nfs/dbraw/zinc/86/59/20/453865920.db2.gz NOPDEAZRUPDUBU-GOSISDBHSA-N 0 0 348.362 3.037 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000075263912 453873683 /nfs/dbraw/zinc/87/36/83/453873683.db2.gz VYXZHPXXSCKWNK-GOSISDBHSA-N 0 0 336.432 3.176 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCOc2ccc(F)cc21 ZINC000053368364 453874319 /nfs/dbraw/zinc/87/43/19/453874319.db2.gz IBBMZYZRLKOMKU-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN O=C(Nc1ccc(CNc2ccncc2[N+](=O)[O-])cc1)c1ccncc1 ZINC000066811636 453876339 /nfs/dbraw/zinc/87/63/39/453876339.db2.gz MXTHPJXWBWBPJJ-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000067048086 453897296 /nfs/dbraw/zinc/89/72/96/453897296.db2.gz WUCCVLNDAXCIAQ-SNVBAGLBSA-N 0 0 335.360 3.210 10 5 EGBERN O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000054389596 453927200 /nfs/dbraw/zinc/92/72/00/453927200.db2.gz MDAPVWCRQQEICX-UHFFFAOYSA-N 0 0 345.424 3.189 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055466624 453987664 /nfs/dbraw/zinc/98/76/64/453987664.db2.gz KXEXFCFHSDMZCB-CHWSQXEVSA-N 0 0 344.367 3.248 10 5 EGBERN CCOc1cccnc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084776476 454010235 /nfs/dbraw/zinc/01/02/35/454010235.db2.gz AMHNVNSMDFWOGM-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC2(C1)CCCCC2 ZINC000076510512 454010549 /nfs/dbraw/zinc/01/05/49/454010549.db2.gz BUHDSEJVWZBNAE-UHFFFAOYSA-N 0 0 345.399 3.025 10 5 EGBERN CCN(C(=O)c1ccc(C(=O)OC)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000084779616 454010765 /nfs/dbraw/zinc/01/07/65/454010765.db2.gz VHSYZMBLNFPDEC-UHFFFAOYSA-N 0 0 328.324 3.048 10 5 EGBERN Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809522 454011220 /nfs/dbraw/zinc/01/12/20/454011220.db2.gz KYNZCLWVYGLCCE-ZDUSSCGKSA-N 0 0 331.372 3.100 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000055972205 454030486 /nfs/dbraw/zinc/03/04/86/454030486.db2.gz PZLXWTNJUTUPAQ-JTQLQIEISA-N 0 0 326.399 3.004 10 5 EGBERN CC(C)C1CCC2(CC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C2=O ZINC000068923286 454066294 /nfs/dbraw/zinc/06/62/94/454066294.db2.gz FXNKTKXNIRRUDB-UHFFFAOYSA-N 0 0 345.399 3.232 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000077294566 454087197 /nfs/dbraw/zinc/08/71/97/454087197.db2.gz JBFXPHJSSMJQQI-HNNXBMFYSA-N 0 0 342.351 3.084 10 5 EGBERN CCc1noc(CC)c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000088201974 454091919 /nfs/dbraw/zinc/09/19/19/454091919.db2.gz ZNFVYTDOCTUDCS-UHFFFAOYSA-N 0 0 342.355 3.119 10 5 EGBERN COc1ccc(F)c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000088305472 454098428 /nfs/dbraw/zinc/09/84/28/454098428.db2.gz AHCXJTZSGKITED-UHFFFAOYSA-N 0 0 348.330 3.459 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000045111736 454139620 /nfs/dbraw/zinc/13/96/20/454139620.db2.gz FHAJTMCNOQWCNJ-MRVPVSSYSA-N 0 0 334.353 3.184 10 5 EGBERN O=C(NCCc1ccc[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000089352472 454140535 /nfs/dbraw/zinc/14/05/35/454140535.db2.gz VVUGJUKVKFGUQV-UHFFFAOYSA-N 0 0 342.380 3.019 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000077734047 454148943 /nfs/dbraw/zinc/14/89/43/454148943.db2.gz OCYSEELMKXYFQR-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057837175 454151452 /nfs/dbraw/zinc/15/14/52/454151452.db2.gz XRJCMWFHGVQCMN-MRXNPFEDSA-N 0 0 344.754 3.141 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000045442591 454160683 /nfs/dbraw/zinc/16/06/83/454160683.db2.gz MNMBTEMWHHHIGT-GFCCVEGCSA-N 0 0 344.367 3.032 10 5 EGBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000078022104 454177284 /nfs/dbraw/zinc/17/72/84/454177284.db2.gz UKFWRTGQRUFZLH-HNNXBMFYSA-N 0 0 333.367 3.323 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000119257362 454182561 /nfs/dbraw/zinc/18/25/61/454182561.db2.gz HDRUTAHAICMZDV-SJLPKXTDSA-N 0 0 339.395 3.240 10 5 EGBERN CCc1nn(C)c(NCCc2c[nH]c3ccc(F)cc23)c1[N+](=O)[O-] ZINC000094161113 454190901 /nfs/dbraw/zinc/19/09/01/454190901.db2.gz ZJKAILPWZXVRFS-UHFFFAOYSA-N 0 0 331.351 3.166 10 5 EGBERN O=C1CCCN1CCc1nc(-c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000600884761 460629167 /nfs/dbraw/zinc/62/91/67/460629167.db2.gz MCKUWDCVTYYGAH-UHFFFAOYSA-N 0 0 335.360 3.022 10 5 EGBERN C[C@H](O)CCN(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078416951 454249739 /nfs/dbraw/zinc/24/97/39/454249739.db2.gz XRVWQAMZYGWSAZ-ZETCQYMHSA-N 0 0 326.702 3.474 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2C)cs1 ZINC000078475558 454259013 /nfs/dbraw/zinc/25/90/13/454259013.db2.gz YNBNZPVJHBAZED-NSHDSACASA-N 0 0 336.417 3.489 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000078477261 454260079 /nfs/dbraw/zinc/26/00/79/454260079.db2.gz QRIOZQALLLFIBT-IVBLRQQYSA-N 0 0 336.413 3.477 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cnccc21 ZINC000096009607 454262479 /nfs/dbraw/zinc/26/24/79/454262479.db2.gz NVHHMKXAUWKVRR-UHFFFAOYSA-N 0 0 349.799 3.325 10 5 EGBERN CCNc1ccc(C(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000079205515 454381941 /nfs/dbraw/zinc/38/19/41/454381941.db2.gz IKQIYAQJILYTEB-UHFFFAOYSA-N 0 0 349.431 3.304 10 5 EGBERN CCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000063446951 454414095 /nfs/dbraw/zinc/41/40/95/454414095.db2.gz UNSDEJBCDMNESS-UHFFFAOYSA-N 0 0 346.314 3.344 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000121290305 454417260 /nfs/dbraw/zinc/41/72/60/454417260.db2.gz CGFIRRXFHMFQDW-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cn2cccn2)no1 ZINC000073343462 454425683 /nfs/dbraw/zinc/42/56/83/454425683.db2.gz KEICJKOOLJDLPT-SECBINFHSA-N 0 0 349.734 3.016 10 5 EGBERN CSCCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079523889 454430724 /nfs/dbraw/zinc/43/07/24/454430724.db2.gz NIJCQWZEGMFTAX-UHFFFAOYSA-N 0 0 347.234 3.230 10 5 EGBERN COC(=O)c1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1C ZINC000048143947 454447959 /nfs/dbraw/zinc/44/79/59/454447959.db2.gz HYIDSTORVJYISR-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1cc(C(=O)Nc2nc3cc(Cl)ccc3n2C)ccc1[N+](=O)[O-] ZINC000063981628 454462261 /nfs/dbraw/zinc/46/22/61/454462261.db2.gz RWAUSKHKHLIJOA-UHFFFAOYSA-N 0 0 344.758 3.118 10 5 EGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(-c2ncon2)c1 ZINC000101526368 454473167 /nfs/dbraw/zinc/47/31/67/454473167.db2.gz GMXSZUJBYSAWDX-CMDGGOBGSA-N 0 0 336.307 3.297 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000091859253 454483344 /nfs/dbraw/zinc/48/33/44/454483344.db2.gz HVDCHWMWGRNBNN-UHFFFAOYSA-N 0 0 338.367 3.179 10 5 EGBERN COC(=O)[C@@H](C)[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000079923342 454500275 /nfs/dbraw/zinc/50/02/75/454500275.db2.gz JPUYZKNFLMAPNY-XHDPSFHLSA-N 0 0 334.397 3.296 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1nc(C)cc1C ZINC000184803139 455450117 /nfs/dbraw/zinc/45/01/17/455450117.db2.gz UUXDFYQRJQZNCV-QBFSEMIESA-N 0 0 342.399 3.018 10 5 EGBERN Cc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000074381789 454572278 /nfs/dbraw/zinc/57/22/78/454572278.db2.gz KZIYYBBCNYMIFD-UHFFFAOYSA-N 0 0 346.368 3.363 10 5 EGBERN C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000104749416 454600900 /nfs/dbraw/zinc/60/09/00/454600900.db2.gz GMAJMKOIQHTPQL-SNVBAGLBSA-N 0 0 338.410 3.044 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000080660214 454613946 /nfs/dbraw/zinc/61/39/46/454613946.db2.gz QLNIUDFRVCDIND-VIFPVBQESA-N 0 0 336.367 3.136 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@H]1c1ccccc1 ZINC000065744600 454618001 /nfs/dbraw/zinc/61/80/01/454618001.db2.gz ORVRCUALMQABNU-IRXDYDNUSA-N 0 0 335.363 3.222 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)Oc1ccccc1F ZINC000080751105 454627684 /nfs/dbraw/zinc/62/76/84/454627684.db2.gz SILFYHSOEMIPKJ-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ncc1[N+](=O)[O-] ZINC000074747491 454628733 /nfs/dbraw/zinc/62/87/33/454628733.db2.gz JSTLPQPRAMPCMN-ZDUSSCGKSA-N 0 0 327.340 3.368 10 5 EGBERN CC(=O)c1ccc(NC2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000052184768 454658323 /nfs/dbraw/zinc/65/83/23/454658323.db2.gz VDCQIRBMLNLZFB-UHFFFAOYSA-N 0 0 340.383 3.273 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000052218634 454662908 /nfs/dbraw/zinc/66/29/08/454662908.db2.gz GOEQZVWEMSMONF-ZIAGYGMSSA-N 0 0 342.399 3.216 10 5 EGBERN COCc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000124153751 454702081 /nfs/dbraw/zinc/70/20/81/454702081.db2.gz DSZNQEWCFJCRIX-UHFFFAOYSA-N 0 0 341.367 3.331 10 5 EGBERN CCOc1ccc(C(=O)N(CC)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000152988161 454750365 /nfs/dbraw/zinc/75/03/65/454750365.db2.gz NDRMXPDEEPYHRF-UHFFFAOYSA-N 0 0 335.385 3.425 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000154006556 454855906 /nfs/dbraw/zinc/85/59/06/454855906.db2.gz GJWUMJXVMYQHBW-UHFFFAOYSA-N 0 0 325.324 3.040 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2ccsc2)C1 ZINC000126234271 454879214 /nfs/dbraw/zinc/87/92/14/454879214.db2.gz LOFQYSPGMSYJGZ-MRXNPFEDSA-N 0 0 334.397 3.109 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150794963 454893812 /nfs/dbraw/zinc/89/38/12/454893812.db2.gz LMMVHDFLDULAIP-IAGOWNOFSA-N 0 0 346.427 3.334 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000165694645 454902483 /nfs/dbraw/zinc/90/24/83/454902483.db2.gz JJZOQXOPYJBOGN-NHYWBVRUSA-N 0 0 327.340 3.281 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000177799573 454906853 /nfs/dbraw/zinc/90/68/53/454906853.db2.gz NBSWRGRVAJEZPX-IJEWVQPXSA-N 0 0 348.399 3.142 10 5 EGBERN Cc1ccnc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043507 454907098 /nfs/dbraw/zinc/90/70/98/454907098.db2.gz DONCTPREOZWAEG-OAHLLOKOSA-N 0 0 326.400 3.181 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177801951 454908084 /nfs/dbraw/zinc/90/80/84/454908084.db2.gz XWXRTPGITNDADH-OAHLLOKOSA-N 0 0 344.367 3.493 10 5 EGBERN C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000170593946 454937189 /nfs/dbraw/zinc/93/71/89/454937189.db2.gz UZXBQXSEXBEPPG-SNVBAGLBSA-N 0 0 349.774 3.352 10 5 EGBERN COc1cc2cc([N+](=O)[O-])c(OCc3ccccc3)cc2oc1=O ZINC000114271646 454948549 /nfs/dbraw/zinc/94/85/49/454948549.db2.gz AQZKMQXYZVKFKI-UHFFFAOYSA-N 0 0 327.292 3.289 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000151252336 454958743 /nfs/dbraw/zinc/95/87/43/454958743.db2.gz YINKCPCXJHXDNQ-UHFFFAOYSA-N 0 0 343.387 3.044 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127565882 454977663 /nfs/dbraw/zinc/97/76/63/454977663.db2.gz QLJMUZBGROQHGD-BDJLRTHQSA-N 0 0 338.791 3.015 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000151523815 454996678 /nfs/dbraw/zinc/99/66/78/454996678.db2.gz JQIMIFSHYTZWOW-UHFFFAOYSA-N 0 0 346.408 3.089 10 5 EGBERN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OCC1(O)CCOCC1 ZINC000155472074 455006399 /nfs/dbraw/zinc/00/63/99/455006399.db2.gz BKXBVNGVWQRUFH-UHFFFAOYSA-N 0 0 343.379 3.106 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccccc1C(C)(C)C ZINC000151655459 455013453 /nfs/dbraw/zinc/01/34/53/455013453.db2.gz AXSBXONPNUQKJA-UHFFFAOYSA-N 0 0 331.372 3.141 10 5 EGBERN CCN(Cc1ccccc1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151716117 455020864 /nfs/dbraw/zinc/02/08/64/455020864.db2.gz LTPWKVQRBWQWAT-UHFFFAOYSA-N 0 0 348.424 3.255 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000128121557 455027891 /nfs/dbraw/zinc/02/78/91/455027891.db2.gz WOGHYBGJMLWJOM-SNVBAGLBSA-N 0 0 344.396 3.261 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000152084727 455070840 /nfs/dbraw/zinc/07/08/40/455070840.db2.gz MVTAPGZLCLULNJ-GDBMZVCRSA-N 0 0 346.333 3.335 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1[N+](=O)[O-] ZINC000171556819 455077621 /nfs/dbraw/zinc/07/76/21/455077621.db2.gz GYEZJGVLUZFEJU-UHFFFAOYSA-N 0 0 345.380 3.126 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000156134158 455085335 /nfs/dbraw/zinc/08/53/35/455085335.db2.gz LKKMJHIKMWMFCV-HIFRSBDPSA-N 0 0 327.340 3.281 10 5 EGBERN CC(=O)c1ccc(OCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000119182166 455130915 /nfs/dbraw/zinc/13/09/15/455130915.db2.gz UDJOPHDDLJKREH-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN CNc1ccc(CNc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000157194154 455172035 /nfs/dbraw/zinc/17/20/35/455172035.db2.gz NQXWYSLXQSRISC-UHFFFAOYSA-N 0 0 342.355 3.205 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000182845117 455175920 /nfs/dbraw/zinc/17/59/20/455175920.db2.gz ZISUUGHSDKLQBD-OAHLLOKOSA-N 0 0 345.330 3.081 10 5 EGBERN CCOC(=O)CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000180485855 455179987 /nfs/dbraw/zinc/17/99/87/455179987.db2.gz IMFAYFMCCZLGLY-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](C)C2 ZINC000183614137 455312415 /nfs/dbraw/zinc/31/24/15/455312415.db2.gz OEKUMWKBYOVBES-ZBEGNZNMSA-N 0 0 326.356 3.353 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190885431 455397556 /nfs/dbraw/zinc/39/75/56/455397556.db2.gz VOCYRRZQRCMGIO-UHOFOFEASA-N 0 0 335.404 3.112 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000175121449 455422634 /nfs/dbraw/zinc/42/26/34/455422634.db2.gz OZNNRSZDYVETNL-HUUCEWRRSA-N 0 0 345.443 3.458 10 5 EGBERN CC(C)N(C[C@H](C)O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160249612 455442092 /nfs/dbraw/zinc/44/20/92/455442092.db2.gz QCRPZARTALQEQG-VIFPVBQESA-N 0 0 349.309 3.237 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000266861136 455463892 /nfs/dbraw/zinc/46/38/92/455463892.db2.gz GZYYLCNRPBZYRS-HNNXBMFYSA-N 0 0 343.383 3.309 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175729535 455488588 /nfs/dbraw/zinc/48/85/88/455488588.db2.gz CECMGLYBGNUXLS-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)n1 ZINC000191497670 455491175 /nfs/dbraw/zinc/49/11/75/455491175.db2.gz HFHJWMOOEGOIJR-LLVKDONJSA-N 0 0 342.355 3.391 10 5 EGBERN CCSc1ccc([C@@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191600044 455501509 /nfs/dbraw/zinc/50/15/09/455501509.db2.gz JQJJATZGCWOUKY-LLVKDONJSA-N 0 0 348.428 3.414 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC(F)(F)F)n1 ZINC000191638469 455506694 /nfs/dbraw/zinc/50/66/94/455506694.db2.gz NPGGZBBPGXQGGQ-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000246563540 455508462 /nfs/dbraw/zinc/50/84/62/455508462.db2.gz LSUQPCFNXKYQGS-VNQPRFMTSA-N 0 0 340.807 3.017 10 5 EGBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000160911664 455513284 /nfs/dbraw/zinc/51/32/84/455513284.db2.gz OPYDZHAMCQPWNU-ZCFIWIBFSA-N 0 0 329.143 3.116 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000191834766 455524113 /nfs/dbraw/zinc/52/41/13/455524113.db2.gz SWVCGZNKRSWDNM-BZNIZROVSA-N 0 0 346.362 3.174 10 5 EGBERN Cn1c(COc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccccc1 ZINC000161029017 455524922 /nfs/dbraw/zinc/52/49/22/455524922.db2.gz VIVYQIUTYODFGF-UHFFFAOYSA-N 0 0 328.303 3.108 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000267304091 455535517 /nfs/dbraw/zinc/53/55/17/455535517.db2.gz AUULXOYECCWFBN-INIZCTEOSA-N 0 0 346.362 3.074 10 5 EGBERN COc1cc(NC[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000268192724 455614548 /nfs/dbraw/zinc/61/45/48/455614548.db2.gz MYKLXRVUOKGHOY-CYBMUJFWSA-N 0 0 334.347 3.321 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000192550139 455640623 /nfs/dbraw/zinc/64/06/23/455640623.db2.gz QRLDFGZJRJGBKD-GFCCVEGCSA-N 0 0 335.433 3.269 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000192659052 455663811 /nfs/dbraw/zinc/66/38/11/455663811.db2.gz QSUKLSIBQZSHQA-KRWDZBQOSA-N 0 0 340.383 3.451 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)NC2(CCCCCC2)C1=O ZINC000277827149 455678894 /nfs/dbraw/zinc/67/88/94/455678894.db2.gz MVEBVXKHZLXEMB-LBPRGKRZSA-N 0 0 331.372 3.301 10 5 EGBERN Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000192806626 455697461 /nfs/dbraw/zinc/69/74/61/455697461.db2.gz JZQXYQSMGJOCMJ-ZDUSSCGKSA-N 0 0 331.372 3.484 10 5 EGBERN Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000192806417 455697486 /nfs/dbraw/zinc/69/74/86/455697486.db2.gz BAEZUIAVSHOQGR-ZDUSSCGKSA-N 0 0 331.372 3.484 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000271618472 455701861 /nfs/dbraw/zinc/70/18/61/455701861.db2.gz DOHBFFYVSQGOPA-KGLIPLIRSA-N 0 0 341.415 3.462 10 5 EGBERN Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292609753 455711685 /nfs/dbraw/zinc/71/16/85/455711685.db2.gz MUORGIFAUIWITP-LBPRGKRZSA-N 0 0 345.378 3.353 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292704316 455736101 /nfs/dbraw/zinc/73/61/01/455736101.db2.gz GTFLBWFIDHTCHR-OCCSQVGLSA-N 0 0 325.315 3.412 10 5 EGBERN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859317 455789438 /nfs/dbraw/zinc/78/94/38/455789438.db2.gz YICNAPWMONUXRB-KBPBESRZSA-N 0 0 348.424 3.108 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1coc(C2CCC2)n1 ZINC000193993851 455790214 /nfs/dbraw/zinc/79/02/14/455790214.db2.gz IYYROSWIUKJXCS-JTQLQIEISA-N 0 0 327.340 3.442 10 5 EGBERN CCc1ccc([C@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000253417052 455842298 /nfs/dbraw/zinc/84/22/98/455842298.db2.gz SIBNPWDYINFSFE-CYBMUJFWSA-N 0 0 346.387 3.241 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000272290322 455903327 /nfs/dbraw/zinc/90/33/27/455903327.db2.gz BMDQIKPQPFNMTA-SWLSCSKDSA-N 0 0 335.404 3.164 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187454191 455911669 /nfs/dbraw/zinc/91/16/69/455911669.db2.gz QROXBACJMJOGHN-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN COc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000195227365 455935148 /nfs/dbraw/zinc/93/51/48/455935148.db2.gz FEXVBGMKSCSFBY-SNVBAGLBSA-N 0 0 330.344 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000296452606 455942182 /nfs/dbraw/zinc/94/21/82/455942182.db2.gz YLKKLBCCNKPHHD-UHFFFAOYSA-N 0 0 347.415 3.452 10 5 EGBERN CC[C@@H](NC(=O)C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000270649175 456004227 /nfs/dbraw/zinc/00/42/27/456004227.db2.gz ZXZHRDLYDPCEBZ-SJORKVTESA-N 0 0 346.358 3.425 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000188186487 456016865 /nfs/dbraw/zinc/01/68/65/456016865.db2.gz YHYHQXPUYSGGGU-INIZCTEOSA-N 0 0 347.415 3.226 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000601101323 460711295 /nfs/dbraw/zinc/71/12/95/460711295.db2.gz XKMNCAXIVOQIPZ-ZDUSSCGKSA-N 0 0 345.330 3.242 10 5 EGBERN C[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296829142 456047994 /nfs/dbraw/zinc/04/79/94/456047994.db2.gz NGTWJEFWPVRQDB-VZJVUDMVSA-N 0 0 339.342 3.343 10 5 EGBERN CSCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280831365 456061673 /nfs/dbraw/zinc/06/16/73/456061673.db2.gz XUARJGMZSILXEP-UHFFFAOYSA-N 0 0 333.207 3.357 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000296967234 456077880 /nfs/dbraw/zinc/07/78/80/456077880.db2.gz PSSBLCSBHBIMSS-SFYZADRCSA-N 0 0 349.284 3.119 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301275316 456078315 /nfs/dbraw/zinc/07/83/15/456078315.db2.gz RSWYSXJBDMQCEF-APPDUMDISA-N 0 0 346.408 3.344 10 5 EGBERN COc1cc(OC)cc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601099992 460709837 /nfs/dbraw/zinc/70/98/37/460709837.db2.gz CPHWBKYMSZAIND-UHFFFAOYSA-N 0 0 347.249 3.157 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccoc1C1CC1 ZINC000281008132 456108629 /nfs/dbraw/zinc/10/86/29/456108629.db2.gz OHEXVBDITXBGHL-UHFFFAOYSA-N 0 0 344.323 3.479 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC1CCC(O)CC1 ZINC000227711895 456117090 /nfs/dbraw/zinc/11/70/90/456117090.db2.gz GSFHVOOLOFCEGP-UHFFFAOYSA-N 0 0 329.194 3.320 10 5 EGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cccc(O)c1 ZINC000601111083 460714332 /nfs/dbraw/zinc/71/43/32/460714332.db2.gz MWUXMNCHXCBYKR-SSDOTTSWSA-N 0 0 330.266 3.226 10 5 EGBERN CC(=O)c1ccc(N[C@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000301473890 456123904 /nfs/dbraw/zinc/12/39/04/456123904.db2.gz VHHRNUWSWDOSMS-SNVBAGLBSA-N 0 0 330.388 3.191 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(F)c(F)c1 ZINC000601109670 460714674 /nfs/dbraw/zinc/71/46/74/460714674.db2.gz WMPVADMJHPNDQY-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3cccs3)CC2)c1 ZINC000301611105 456161098 /nfs/dbraw/zinc/16/10/98/456161098.db2.gz DFDBTIPPOXQHSO-UHFFFAOYSA-N 0 0 337.376 3.131 10 5 EGBERN Cc1nn(C)c(NC[C@@H]2C[C@]23CCCc2ccccc23)c1[N+](=O)[O-] ZINC000301648779 456173461 /nfs/dbraw/zinc/17/34/61/456173461.db2.gz OZNOVWPTJKHIAT-KBXCAEBGSA-N 0 0 326.400 3.343 10 5 EGBERN CC(=O)N(Cc1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000601118106 460717606 /nfs/dbraw/zinc/71/76/06/460717606.db2.gz HDFUHLUNFPFKAX-UHFFFAOYSA-N 0 0 344.346 3.383 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@]2(C)CCCS2)c([N+](=O)[O-])c1 ZINC000301664654 456178277 /nfs/dbraw/zinc/17/82/77/456178277.db2.gz ZJMLWVGIAJXKNI-YERXGYGTSA-N 0 0 336.413 3.479 10 5 EGBERN Cc1ccc([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301684568 456184544 /nfs/dbraw/zinc/18/45/44/456184544.db2.gz KWEIWIGYCUGECO-GFCCVEGCSA-N 0 0 341.367 3.450 10 5 EGBERN CCn1c(CCNc2ncc(F)cc2[N+](=O)[O-])nc2ccccc21 ZINC000601109232 460713902 /nfs/dbraw/zinc/71/39/02/460713902.db2.gz SNFUHEJGAJJTLT-UHFFFAOYSA-N 0 0 329.335 3.153 10 5 EGBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301789687 456214558 /nfs/dbraw/zinc/21/45/58/456214558.db2.gz QUIYLQNBWDBLAQ-UKRRQHHQSA-N 0 0 347.415 3.200 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)nc1 ZINC000301834540 456227159 /nfs/dbraw/zinc/22/71/59/456227159.db2.gz KKMOAUDIYHHDCW-AWEZNQCLSA-N 0 0 336.355 3.116 10 5 EGBERN Cc1cc(N[C@@H](C)Cn2ncc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000301906513 456247414 /nfs/dbraw/zinc/24/74/14/456247414.db2.gz QQBUMDMOVXPOFY-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301923750 456251832 /nfs/dbraw/zinc/25/18/32/456251832.db2.gz LVKAEAHYDGSHTP-CQSZACIVSA-N 0 0 325.372 3.489 10 5 EGBERN CC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1F ZINC000301955883 456258654 /nfs/dbraw/zinc/25/86/54/456258654.db2.gz FJAWNGSHODQFMP-LBPRGKRZSA-N 0 0 333.298 3.479 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1nnc2n1CCCC2 ZINC000301960487 456259563 /nfs/dbraw/zinc/25/95/63/456259563.db2.gz PYVXVVCULOUDIJ-LLVKDONJSA-N 0 0 338.371 3.244 10 5 EGBERN COc1ccc([C@H](C)CCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301992002 456266697 /nfs/dbraw/zinc/26/66/97/456266697.db2.gz NAODLLUNVDMDSI-GFCCVEGCSA-N 0 0 341.371 3.252 10 5 EGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1Cl ZINC000302004398 456267520 /nfs/dbraw/zinc/26/75/20/456267520.db2.gz SAAZPGKWHZHDEQ-JTQLQIEISA-N 0 0 347.762 3.170 10 5 EGBERN CS[C@H]1CCCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601132881 460724919 /nfs/dbraw/zinc/72/49/19/460724919.db2.gz PTFKJINHJPXAMV-QMMMGPOBSA-N 0 0 338.355 3.069 10 5 EGBERN C[C@H]1COCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342898526 456301361 /nfs/dbraw/zinc/30/13/61/456301361.db2.gz BLCNSGZAOJJRQA-VHSXEESVSA-N 0 0 346.305 3.016 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccn(CCC(C)C)n2)c1 ZINC000302193043 456312891 /nfs/dbraw/zinc/31/28/91/456312891.db2.gz RPUQOMXNPKJODW-UHFFFAOYSA-N 0 0 332.360 3.368 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(F)cc(F)cc3C2)c1 ZINC000302208623 456317843 /nfs/dbraw/zinc/31/78/43/456317843.db2.gz XTNURNVTMIWOJS-UHFFFAOYSA-N 0 0 348.305 3.222 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CCOCC2 ZINC000275816917 456322204 /nfs/dbraw/zinc/32/22/04/456322204.db2.gz NHPTVDMGFNVGAC-UHFFFAOYSA-N 0 0 338.791 3.199 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000275819208 456323780 /nfs/dbraw/zinc/32/37/80/456323780.db2.gz PREAGCRBXGTQJP-NEPJUHHUSA-N 0 0 340.807 3.492 10 5 EGBERN COc1ccc(F)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC000342944770 456329022 /nfs/dbraw/zinc/32/90/22/456329022.db2.gz PHOJGCHWKJXYSR-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN COCc1nc(C)cc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000302267158 456331183 /nfs/dbraw/zinc/33/11/83/456331183.db2.gz QZFAFLIKEWHSNI-UHFFFAOYSA-N 0 0 326.312 3.180 10 5 EGBERN COC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000275876291 456339143 /nfs/dbraw/zinc/33/91/43/456339143.db2.gz PBNDSFRBEPDIHT-NSHDSACASA-N 0 0 338.747 3.267 10 5 EGBERN NC(=O)c1coc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000302398808 456340480 /nfs/dbraw/zinc/34/04/80/456340480.db2.gz JNEXXMWIZZGEGK-UHFFFAOYSA-N 0 0 330.127 3.206 10 5 EGBERN CC(C)(O)C(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275949711 456357070 /nfs/dbraw/zinc/35/70/70/456357070.db2.gz KHMRWSAEUBJHLY-UHFFFAOYSA-N 0 0 338.407 3.373 10 5 EGBERN Cc1ccnc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000302556875 456359112 /nfs/dbraw/zinc/35/91/12/456359112.db2.gz LPHAINXQWGZXNH-LLVKDONJSA-N 0 0 346.353 3.373 10 5 EGBERN CC(C)Cc1ncc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148434 460730259 /nfs/dbraw/zinc/73/02/59/460730259.db2.gz BSKVCMOMXFOTKR-QGZVFWFLSA-N 0 0 349.456 3.247 10 5 EGBERN C[C@H](NC(=O)N1CCC2(CCOCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000347785058 456366520 /nfs/dbraw/zinc/36/65/20/456366520.db2.gz NCYBEMUNMXAMOY-KBPBESRZSA-N 0 0 347.415 3.256 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302662771 456371185 /nfs/dbraw/zinc/37/11/85/456371185.db2.gz PHXAVSNSUHXHDU-CYBMUJFWSA-N 0 0 340.445 3.403 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000347820614 456385667 /nfs/dbraw/zinc/38/56/67/456385667.db2.gz FBQRAGWANZECMH-LDYMZIIASA-N 0 0 332.278 3.016 10 5 EGBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302766868 456394244 /nfs/dbraw/zinc/39/42/44/456394244.db2.gz LREFXBDBTIUOJV-OAHLLOKOSA-N 0 0 347.802 3.360 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000347842142 456399212 /nfs/dbraw/zinc/39/92/12/456399212.db2.gz GCUISBLPDCBVFD-WDEREUQCSA-N 0 0 346.305 3.163 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282237595 456451178 /nfs/dbraw/zinc/45/11/78/456451178.db2.gz LQKHNSABECAKJK-CYBMUJFWSA-N 0 0 341.415 3.094 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343180618 456455182 /nfs/dbraw/zinc/45/51/82/456455182.db2.gz CTOKJRWGNALSQP-ZDUSSCGKSA-N 0 0 348.362 3.498 10 5 EGBERN CCOC(=O)c1csc(CCNc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000276375221 456460940 /nfs/dbraw/zinc/46/09/40/456460940.db2.gz XUFTTXRACUUBEC-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000276538395 456509407 /nfs/dbraw/zinc/50/94/07/456509407.db2.gz CVLRHCQSPVBAFG-GUYCJALGSA-N 0 0 337.383 3.427 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000276599553 456527373 /nfs/dbraw/zinc/52/73/73/456527373.db2.gz RCKMIUABNWFZMG-NXEZZACHSA-N 0 0 347.293 3.309 10 5 EGBERN CC(C)(C)c1ccc(NCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000340606307 456567264 /nfs/dbraw/zinc/56/72/64/456567264.db2.gz JLWFUBWSHXSDPP-UHFFFAOYSA-N 0 0 340.445 3.129 10 5 EGBERN C[C@](O)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 ZINC000276835626 456595514 /nfs/dbraw/zinc/59/55/14/456595514.db2.gz WSLMPZRZZUGHPB-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000348324698 456623783 /nfs/dbraw/zinc/62/37/83/456623783.db2.gz LAANXROMCNEMPP-SNVBAGLBSA-N 0 0 328.315 3.301 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282846063 456643985 /nfs/dbraw/zinc/64/39/85/456643985.db2.gz NFRSWAWSMZMEJI-IAQYHMDHSA-N 0 0 340.807 3.228 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000338167963 456679849 /nfs/dbraw/zinc/67/98/49/456679849.db2.gz FVSZFEPANDBZRM-CYBMUJFWSA-N 0 0 344.415 3.385 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(Cc2ccco2)CC1 ZINC000291664786 456712545 /nfs/dbraw/zinc/71/25/45/456712545.db2.gz PHTDLEXNDZWPEL-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN O=C(c1ccc(F)cc1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340850167 456718212 /nfs/dbraw/zinc/71/82/12/456718212.db2.gz HXBXCPBIBREXNF-UHFFFAOYSA-N 0 0 329.331 3.228 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000340868391 456730695 /nfs/dbraw/zinc/73/06/95/456730695.db2.gz LVHCISYWYKTJNC-AWEZNQCLSA-N 0 0 345.403 3.248 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccnc(Oc2ccccc2F)c1 ZINC000340916958 456759626 /nfs/dbraw/zinc/75/96/26/456759626.db2.gz YOXIJTQLWOTWCT-UHFFFAOYSA-N 0 0 340.314 3.350 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000341026403 456808588 /nfs/dbraw/zinc/80/85/88/456808588.db2.gz BERZXIVYQWMQPL-CQSZACIVSA-N 0 0 329.400 3.113 10 5 EGBERN O=[N+]([O-])c1cccnc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000301161838 456811098 /nfs/dbraw/zinc/81/10/98/456811098.db2.gz UBWXXSLOPDLGAH-UHFFFAOYSA-N 0 0 328.303 3.439 10 5 EGBERN COC(=O)CC1(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCCC1 ZINC000338426436 456811424 /nfs/dbraw/zinc/81/14/24/456811424.db2.gz FSZIWFBCIPIRGU-UHFFFAOYSA-N 0 0 349.387 3.209 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1nccn1-c1ccccc1 ZINC000338443816 456822906 /nfs/dbraw/zinc/82/29/06/456822906.db2.gz WAYHCTSDKHIMRS-UHFFFAOYSA-N 0 0 337.339 3.102 10 5 EGBERN Cc1cc(N[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277435068 456823432 /nfs/dbraw/zinc/82/34/32/456823432.db2.gz IZXMQMMPWVDGAH-ABAIWWIYSA-N 0 0 328.372 3.197 10 5 EGBERN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])[nH]n2)o1 ZINC000341328737 456850160 /nfs/dbraw/zinc/85/01/60/456850160.db2.gz MZZYBPXKQFIXTM-LLVKDONJSA-N 0 0 340.339 3.377 10 5 EGBERN Cc1sc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353771635 456899697 /nfs/dbraw/zinc/89/96/97/456899697.db2.gz ANDVGGUPLUSTFB-KXUCPTDWSA-N 0 0 332.447 3.020 10 5 EGBERN Cc1ncsc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341717511 456911958 /nfs/dbraw/zinc/91/19/58/456911958.db2.gz DOUVNSRBWOVERU-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CC(C)(C(=O)Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000341745694 456925405 /nfs/dbraw/zinc/92/54/05/456925405.db2.gz ZNPDTCRFDFMJBF-UHFFFAOYSA-N 0 0 340.383 3.254 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)c2ccsc2)c1 ZINC000339093190 456937573 /nfs/dbraw/zinc/93/75/73/456937573.db2.gz BCGKHRYSPYBNFK-ZDUSSCGKSA-N 0 0 346.330 3.498 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000341798771 456949453 /nfs/dbraw/zinc/94/94/53/456949453.db2.gz CZPIMFZTJMIQFG-VXGBXAGGSA-N 0 0 329.356 3.422 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000341812949 456955493 /nfs/dbraw/zinc/95/54/93/456955493.db2.gz INWFNYBKOLVKAR-UHFFFAOYSA-N 0 0 327.262 3.214 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000353910251 456962365 /nfs/dbraw/zinc/96/23/65/456962365.db2.gz KPGKEKGKSVUAOM-AWEZNQCLSA-N 0 0 349.431 3.081 10 5 EGBERN COCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345196946 456963621 /nfs/dbraw/zinc/96/36/21/456963621.db2.gz BUSXDIJNXFBFTQ-UHFFFAOYSA-N 0 0 328.368 3.192 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1cccc(F)c1 ZINC000349606319 456994136 /nfs/dbraw/zinc/99/41/36/456994136.db2.gz AXVMIMQNMBXRET-BZNIZROVSA-N 0 0 331.347 3.296 10 5 EGBERN Cc1cc([C@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c(C)o1 ZINC000341923821 457004853 /nfs/dbraw/zinc/00/48/53/457004853.db2.gz DEUWRCFNXWIJAX-VIFPVBQESA-N 0 0 328.328 3.048 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1ccsc1 ZINC000349827571 457067588 /nfs/dbraw/zinc/06/75/88/457067588.db2.gz JKHUZTNPHYPSAJ-GFCCVEGCSA-N 0 0 341.776 3.165 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1csc(-c2ccccn2)n1 ZINC000354110182 457069286 /nfs/dbraw/zinc/06/92/86/457069286.db2.gz AKCFIXZEQWMJJF-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362738550 457071561 /nfs/dbraw/zinc/07/15/61/457071561.db2.gz WARINCGWYWIQNB-INIZCTEOSA-N 0 0 343.383 3.023 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349856619 457081251 /nfs/dbraw/zinc/08/12/51/457081251.db2.gz XNMAOCSUOLELPL-UHFFFAOYSA-N 0 0 340.694 3.148 10 5 EGBERN Cc1ccc(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)s1 ZINC000342057809 457084812 /nfs/dbraw/zinc/08/48/12/457084812.db2.gz GDTTUPISNJJLHG-UHFFFAOYSA-N 0 0 330.369 3.250 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330794527 457087421 /nfs/dbraw/zinc/08/74/21/457087421.db2.gz DRYSWXFBYNQMKJ-SECBINFHSA-N 0 0 328.315 3.457 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2nc(C)cs2)c1[N+](=O)[O-] ZINC000342069059 457089369 /nfs/dbraw/zinc/08/93/69/457089369.db2.gz XIVUXYCDEQWTOE-SECBINFHSA-N 0 0 336.373 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nc(-c3cccc(F)c3)no2)n1 ZINC000362836519 457117972 /nfs/dbraw/zinc/11/79/72/457117972.db2.gz HKLJRMRGPVQBMB-UHFFFAOYSA-N 0 0 343.318 3.408 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000356894554 457203442 /nfs/dbraw/zinc/20/34/42/457203442.db2.gz RMPRVZARDVXZEE-SECBINFHSA-N 0 0 331.275 3.085 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000342276469 457206588 /nfs/dbraw/zinc/20/65/88/457206588.db2.gz BUDQNSCBTUNQGH-VIFPVBQESA-N 0 0 338.360 3.301 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1nccs1)C(F)(F)F ZINC000356904305 457210133 /nfs/dbraw/zinc/21/01/33/457210133.db2.gz BYRAZXNNTJJQIM-LLVKDONJSA-N 0 0 345.302 3.014 10 5 EGBERN CC[C@H](c1ccncc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342292280 457217511 /nfs/dbraw/zinc/21/75/11/457217511.db2.gz WGQDORBISLUXRR-MRXNPFEDSA-N 0 0 349.337 3.420 10 5 EGBERN CO[C@H](C)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354464621 457240588 /nfs/dbraw/zinc/24/05/88/457240588.db2.gz ITNXKVLUBDBEOS-CQSZACIVSA-N 0 0 337.420 3.059 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000360193485 457293483 /nfs/dbraw/zinc/29/34/83/457293483.db2.gz IPVMPHGUVKTNOE-ZDUSSCGKSA-N 0 0 326.352 3.327 10 5 EGBERN Cc1ncccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347262340 457319215 /nfs/dbraw/zinc/31/92/15/457319215.db2.gz CYFGWKVJHCMIDF-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCCC1 ZINC000360625401 457321729 /nfs/dbraw/zinc/32/17/29/457321729.db2.gz ADUCEEDCIZLEMC-UHFFFAOYSA-N 0 0 339.200 3.076 10 5 EGBERN Cc1cnc([C@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000342520692 457349009 /nfs/dbraw/zinc/34/90/09/457349009.db2.gz QNVBBEUTMLUCGJ-QMMMGPOBSA-N 0 0 341.339 3.058 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424989293 457396512 /nfs/dbraw/zinc/39/65/12/457396512.db2.gz PYMZOYDDNPAMRY-WBMJQRKESA-N 0 0 329.400 3.113 10 5 EGBERN Cn1c(Sc2ncnc3cccc([N+](=O)[O-])c32)nnc1C1CCC1 ZINC000347409129 457408971 /nfs/dbraw/zinc/40/89/71/457408971.db2.gz GMULCQSHLZBMSS-UHFFFAOYSA-N 0 0 342.384 3.085 10 5 EGBERN CCOc1ccccc1[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342633820 457416679 /nfs/dbraw/zinc/41/66/79/457416679.db2.gz PUWVRMMUPLZKNI-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425080991 457432838 /nfs/dbraw/zinc/43/28/38/457432838.db2.gz LJWJYEYEKJKYKF-UHFFFAOYSA-N 0 0 348.733 3.131 10 5 EGBERN Cc1nccc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000356022334 457440507 /nfs/dbraw/zinc/44/05/07/457440507.db2.gz QLFJIDFJZWAKHK-UHFFFAOYSA-N 0 0 348.431 3.477 10 5 EGBERN CCc1ccc(OCC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000391641776 457452262 /nfs/dbraw/zinc/45/22/62/457452262.db2.gz FSMOQODNDQSSNP-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN Cn1cc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000369910715 457457287 /nfs/dbraw/zinc/45/72/87/457457287.db2.gz VMFWHUCQBKKEIS-GOSISDBHSA-N 0 0 340.358 3.347 10 5 EGBERN COC(=O)c1cnc([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])s1 ZINC000425269047 457475601 /nfs/dbraw/zinc/47/56/01/457475601.db2.gz AXESQZIDAYPYAK-VIFPVBQESA-N 0 0 336.373 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000425279180 457481187 /nfs/dbraw/zinc/48/11/87/457481187.db2.gz HNPADHJQXJPCPF-INIZCTEOSA-N 0 0 331.416 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000369971458 457482726 /nfs/dbraw/zinc/48/27/26/457482726.db2.gz AGJRBTRCLXVKCD-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN Nc1c(F)c(NCc2ccc(Cn3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000356163493 457499020 /nfs/dbraw/zinc/49/90/20/457499020.db2.gz DZEMRYQZTRZVNB-UHFFFAOYSA-N 0 0 341.346 3.173 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1nc2ccccc2n1C1CC1 ZINC000361006776 457505705 /nfs/dbraw/zinc/50/57/05/457505705.db2.gz KZQSYITYYAZHET-UHFFFAOYSA-N 0 0 340.387 3.416 10 5 EGBERN CO[C@H](C)CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347562600 457509890 /nfs/dbraw/zinc/50/98/90/457509890.db2.gz GIOXFJWQYURALC-VXGBXAGGSA-N 0 0 326.368 3.109 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccccc1-n1cccn1 ZINC000361041316 457534785 /nfs/dbraw/zinc/53/47/85/457534785.db2.gz DYANDTQJUROVSX-LBPRGKRZSA-N 0 0 340.387 3.478 10 5 EGBERN CCNc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000352695618 457537880 /nfs/dbraw/zinc/53/78/80/457537880.db2.gz IICLYWMKVOSYJU-UHFFFAOYSA-N 0 0 345.374 3.480 10 5 EGBERN COc1cccc(NCCc2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000357484352 457558028 /nfs/dbraw/zinc/55/80/28/457558028.db2.gz QXYKHOXKZKWIRX-UHFFFAOYSA-N 0 0 339.355 3.043 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000425466079 457566467 /nfs/dbraw/zinc/56/64/67/457566467.db2.gz BLGMFCDMJLSKDK-QWRGUYRKSA-N 0 0 329.219 3.047 10 5 EGBERN CC[C@H](NC(=O)N1CCC2(CCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000374312790 457580849 /nfs/dbraw/zinc/58/08/49/457580849.db2.gz GIAPUHILZGAUCZ-HNNXBMFYSA-N 0 0 333.388 3.010 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425616640 457613868 /nfs/dbraw/zinc/61/38/68/457613868.db2.gz IQAIRQKCYNLTLL-WMZOPIPTSA-N 0 0 343.358 3.374 10 5 EGBERN C[C@H](c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1)C1CC1 ZINC000357600867 457616295 /nfs/dbraw/zinc/61/62/95/457616295.db2.gz WNSFNGCGLJRKNB-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN COC1CCC(Cc2noc(COc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000357730246 457671520 /nfs/dbraw/zinc/67/15/20/457671520.db2.gz AISMWVZWGJXULH-UHFFFAOYSA-N 0 0 347.371 3.305 10 5 EGBERN COc1ccc(OC)c(CN(c2ncc(C)cc2[N+](=O)[O-])C2CC2)c1 ZINC000361272874 457674704 /nfs/dbraw/zinc/67/47/04/457674704.db2.gz QBGFCVFAJRZLHB-UHFFFAOYSA-N 0 0 343.383 3.484 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](Cc2ccncc2)C1 ZINC000374710503 457692067 /nfs/dbraw/zinc/69/20/67/457692067.db2.gz NYTGBQUTGNPOAA-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN CSc1ccc(C(=O)N(C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000357835560 457706153 /nfs/dbraw/zinc/70/61/53/457706153.db2.gz PSLSGBIGUKDLEQ-UHFFFAOYSA-N 0 0 331.397 3.292 10 5 EGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000365315944 457741264 /nfs/dbraw/zinc/74/12/64/457741264.db2.gz FLOHIIWXEFYAAL-JTQLQIEISA-N 0 0 344.820 3.201 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000370959548 457744357 /nfs/dbraw/zinc/74/43/57/457744357.db2.gz BNEIBCIWFJARHT-AWEZNQCLSA-N 0 0 342.355 3.223 10 5 EGBERN CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000410705129 457746217 /nfs/dbraw/zinc/74/62/17/457746217.db2.gz OEUBZBDZRYGOSO-TZMCWYRMSA-N 0 0 343.383 3.017 10 5 EGBERN CC1(c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000433184883 457772689 /nfs/dbraw/zinc/77/26/89/457772689.db2.gz YIFKJUJQGJILAX-UHFFFAOYSA-N 0 0 330.344 3.480 10 5 EGBERN CC(C)CC(CC(C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443755298 457808934 /nfs/dbraw/zinc/80/89/34/457808934.db2.gz KQYNPTCRNXZZDR-UHFFFAOYSA-N 0 0 342.461 3.475 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC2(CCC2)C1 ZINC000375187191 457825427 /nfs/dbraw/zinc/82/54/27/457825427.db2.gz MEQKQBLACGWFJA-SDNWHVSQSA-N 0 0 330.384 3.027 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444029706 457843807 /nfs/dbraw/zinc/84/38/07/457843807.db2.gz IHAILEMRRCCWIF-HIFRSBDPSA-N 0 0 342.399 3.337 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433557533 457847614 /nfs/dbraw/zinc/84/76/14/457847614.db2.gz HCFXSFFLKXQFSF-PIGZYNQJSA-N 0 0 344.342 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411531933 457912346 /nfs/dbraw/zinc/91/23/46/457912346.db2.gz YRRIUDRNTZLMPK-YJBOKZPZSA-N 0 0 344.342 3.105 10 5 EGBERN COc1cccc(F)c1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681079 457937364 /nfs/dbraw/zinc/93/73/64/457937364.db2.gz SFPOGZZYKRKKRP-JTQLQIEISA-N 0 0 344.346 3.470 10 5 EGBERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000358408826 457984715 /nfs/dbraw/zinc/98/47/15/457984715.db2.gz IAOYOYRIMNDXEZ-BZNIZROVSA-N 0 0 339.351 3.442 10 5 EGBERN CN(Cc1nccs1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445008167 458004422 /nfs/dbraw/zinc/00/44/22/458004422.db2.gz HQVHKPNPMBGEKC-UHFFFAOYSA-N 0 0 349.415 3.410 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1C ZINC000428050928 458072678 /nfs/dbraw/zinc/07/26/78/458072678.db2.gz BLHHXXQRKDJHSR-UHFFFAOYSA-N 0 0 333.319 3.194 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000371822218 458086837 /nfs/dbraw/zinc/08/68/37/458086837.db2.gz IBQFGCWLVWRJPE-HFBDAHEESA-N 0 0 340.383 3.127 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c3c(cc4c2CCC4)CCC3)n1 ZINC000362360581 458126109 /nfs/dbraw/zinc/12/61/09/458126109.db2.gz MBBGGJNBGCMUQC-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN COCC(C)(C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000412284279 458153649 /nfs/dbraw/zinc/15/36/49/458153649.db2.gz FAIAMYYBLDYTQW-UHFFFAOYSA-N 0 0 348.321 3.293 10 5 EGBERN CC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)nc1C ZINC000362404726 458156574 /nfs/dbraw/zinc/15/65/74/458156574.db2.gz UNIPXUXHJBKVNO-SNVBAGLBSA-N 0 0 341.367 3.300 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC ZINC000435614944 458172691 /nfs/dbraw/zinc/17/26/91/458172691.db2.gz NZRDDBXHYDJYDJ-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000376072717 458185637 /nfs/dbraw/zinc/18/56/37/458185637.db2.gz WUSTUXQOXIPTLH-AWEZNQCLSA-N 0 0 348.305 3.167 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446610495 458203488 /nfs/dbraw/zinc/20/34/88/458203488.db2.gz MUOIUVIWQILEPM-TUAOUCFPSA-N 0 0 338.429 3.345 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@@H](C)O1 ZINC000446614438 458205152 /nfs/dbraw/zinc/20/51/52/458205152.db2.gz VYNDQAZTXAQTCW-IJLUTSLNSA-N 0 0 338.379 3.036 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccc12 ZINC000435799807 458206439 /nfs/dbraw/zinc/20/64/39/458206439.db2.gz QTPMBZOTAKGBFF-UHFFFAOYSA-N 0 0 340.339 3.105 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000435805542 458207805 /nfs/dbraw/zinc/20/78/05/458207805.db2.gz YACCKRNEDKCLPN-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000446854562 458237674 /nfs/dbraw/zinc/23/76/74/458237674.db2.gz ADECHJNZBWLAKJ-IBGZPJMESA-N 0 0 339.395 3.122 10 5 EGBERN Cc1cc(NC/C=C/c2ccccc2[N+](=O)[O-])cc(OCCO)c1 ZINC000447078865 458262370 /nfs/dbraw/zinc/26/23/70/458262370.db2.gz VRMYVYNOCJVRMX-GQCTYLIASA-N 0 0 328.368 3.400 10 5 EGBERN O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000412672662 458266793 /nfs/dbraw/zinc/26/67/93/458266793.db2.gz NGCYQPDCXBNUFO-NXEZZACHSA-N 0 0 332.278 3.207 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436284167 458283255 /nfs/dbraw/zinc/28/32/55/458283255.db2.gz WURMEBWCTAMDIF-HNNXBMFYSA-N 0 0 345.443 3.460 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1ccnn1C ZINC000369615130 458289777 /nfs/dbraw/zinc/28/97/77/458289777.db2.gz JQJPIXQZNWNQBW-MRXNPFEDSA-N 0 0 330.388 3.064 10 5 EGBERN CC1(C)CC[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000362596011 458291093 /nfs/dbraw/zinc/29/10/93/458291093.db2.gz JBEQXOPKZISLPV-DZGCQCFKSA-N 0 0 336.413 3.126 10 5 EGBERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447686507 458330161 /nfs/dbraw/zinc/33/01/61/458330161.db2.gz QSHIFKZUGLAXRY-QLJPJBMISA-N 0 0 344.346 3.220 10 5 EGBERN CN(C[C@H]1CC=CCC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811005 458345699 /nfs/dbraw/zinc/34/56/99/458345699.db2.gz LXKLHVOGWFHAOC-INIZCTEOSA-N 0 0 345.443 3.220 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436783133 458379896 /nfs/dbraw/zinc/37/98/96/458379896.db2.gz KQYYAITVEMKEIV-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000373093424 458396216 /nfs/dbraw/zinc/39/62/16/458396216.db2.gz VKOQDNAUESHMSL-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN COCc1cc(NCc2ccc([N+](=O)[O-])cc2C)cc(C(=O)OC)c1 ZINC000430204750 458420640 /nfs/dbraw/zinc/42/06/40/458420640.db2.gz HRCFCKHNKPMIDL-UHFFFAOYSA-N 0 0 344.367 3.448 10 5 EGBERN CC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430213824 458422936 /nfs/dbraw/zinc/42/29/36/458422936.db2.gz CXJYVYVCVPTKLJ-QGZVFWFLSA-N 0 0 330.384 3.381 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC23CCCC3)cc1OC ZINC000430218336 458423297 /nfs/dbraw/zinc/42/32/97/458423297.db2.gz MZWPMJZDJJRWGN-HNNXBMFYSA-N 0 0 334.372 3.065 10 5 EGBERN C[C@H]1CCN(c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000437441001 458453342 /nfs/dbraw/zinc/45/33/42/458453342.db2.gz VISAVPIWWKEHKZ-LBPRGKRZSA-N 0 0 326.356 3.088 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000459892615 458490136 /nfs/dbraw/zinc/49/01/36/458490136.db2.gz AUZLQSLBNYEVBL-HNNXBMFYSA-N 0 0 338.363 3.223 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000373443818 458494799 /nfs/dbraw/zinc/49/47/99/458494799.db2.gz PRPRDYQILLULKX-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438144102 458540976 /nfs/dbraw/zinc/54/09/76/458540976.db2.gz WNTYSWAFZPCTND-PSVSLLHZSA-N 0 0 344.342 3.417 10 5 EGBERN CC[C@H]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000431581823 458591792 /nfs/dbraw/zinc/59/17/92/458591792.db2.gz DXQIQOJHKJJCBF-CTYIDZIISA-N 0 0 340.445 3.026 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000494241342 458645789 /nfs/dbraw/zinc/64/57/89/458645789.db2.gz LCZYQWABINHGFX-SECBINFHSA-N 0 0 329.303 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC(F)F ZINC000439096199 458653365 /nfs/dbraw/zinc/65/33/65/458653365.db2.gz VWULYIPSZXQTNI-VXGBXAGGSA-N 0 0 342.342 3.449 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)c1C ZINC000432325246 458714886 /nfs/dbraw/zinc/71/48/86/458714886.db2.gz JJXOHOULISVUFW-GFCCVEGCSA-N 0 0 338.429 3.165 10 5 EGBERN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000456605857 458728475 /nfs/dbraw/zinc/72/84/75/458728475.db2.gz ZGYBMCZGMRDIHZ-LBPRGKRZSA-N 0 0 331.397 3.357 10 5 EGBERN CC1(C2(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000456646990 458740851 /nfs/dbraw/zinc/74/08/51/458740851.db2.gz MXMHBYCZRQXJCK-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN COc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1CO ZINC000494814539 458748809 /nfs/dbraw/zinc/74/88/09/458748809.db2.gz WHGDPIULGNQULM-UHFFFAOYSA-N 0 0 348.380 3.070 10 5 EGBERN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cc(F)ccc21 ZINC000530560650 458791603 /nfs/dbraw/zinc/79/16/03/458791603.db2.gz AVCQVUBXXIZCBP-UHFFFAOYSA-N 0 0 344.346 3.006 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000457023178 458841313 /nfs/dbraw/zinc/84/13/13/458841313.db2.gz DGTONCXUKAJRED-GFCCVEGCSA-N 0 0 338.429 3.205 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000518441675 458867657 /nfs/dbraw/zinc/86/76/57/458867657.db2.gz NRDHEQTTZKHOFX-YVEFUNNKSA-N 0 0 346.408 3.115 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCc2cc(F)c(F)cc21 ZINC000466142497 458881297 /nfs/dbraw/zinc/88/12/97/458881297.db2.gz LOYOBVIWYFMZOD-UHFFFAOYSA-N 0 0 347.321 3.188 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000474388968 458882071 /nfs/dbraw/zinc/88/20/71/458882071.db2.gz CYQUDNNUAAKYMO-OUAUKWLOSA-N 0 0 346.836 3.303 10 5 EGBERN CC(C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000476156274 458982321 /nfs/dbraw/zinc/98/23/21/458982321.db2.gz OWYUEHBLPUUELO-GOSISDBHSA-N 0 0 339.395 3.314 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000531882593 458994138 /nfs/dbraw/zinc/99/41/38/458994138.db2.gz JSDRNLQHNPUZAV-VIFPVBQESA-N 0 0 334.401 3.235 10 5 EGBERN COC(=O)c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cs1 ZINC000577200990 458998040 /nfs/dbraw/zinc/99/80/40/458998040.db2.gz MNCOYBCZERJLQO-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532137549 459035824 /nfs/dbraw/zinc/03/58/24/459035824.db2.gz OUHLPZFLDWKNAJ-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN O=C(Nc1cc(Cl)cc2cccnc21)c1ccc([N+](=O)[O-])cn1 ZINC000532144952 459036922 /nfs/dbraw/zinc/03/69/22/459036922.db2.gz QXPZABWLHSPTRZ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H]4C[C@@H]43)o2)c(Cl)c1 ZINC000590053137 459073829 /nfs/dbraw/zinc/07/38/29/459073829.db2.gz MOKJWHYZCPMTJL-GOEBONIOSA-N 0 0 334.759 3.481 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(CCC2)c2c1cccc2F ZINC000532391396 459079744 /nfs/dbraw/zinc/07/97/44/459079744.db2.gz SDENBNKLYWWBSE-UHFFFAOYSA-N 0 0 327.315 3.211 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)Nc1ccc([N+](=O)[O-])cc1F ZINC000594523802 459080039 /nfs/dbraw/zinc/08/00/39/459080039.db2.gz DKUWCPXVHBTGDG-GFCCVEGCSA-N 0 0 337.351 3.347 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2cccc(N(C)C)c2C)c1[N+](=O)[O-] ZINC000557645281 459094834 /nfs/dbraw/zinc/09/48/34/459094834.db2.gz DOBGZQKDRNMGPZ-UHFFFAOYSA-N 0 0 344.371 3.203 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1F ZINC000590323186 459114668 /nfs/dbraw/zinc/11/46/68/459114668.db2.gz FSEZAEVJUIJOHF-PELKAZGASA-N 0 0 334.269 3.434 10 5 EGBERN CN(C(=O)COC/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000479064136 459120340 /nfs/dbraw/zinc/12/03/40/459120340.db2.gz GNEFBPWOEXOCBK-YVMONPNESA-N 0 0 326.352 3.288 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401302 459125238 /nfs/dbraw/zinc/12/52/38/459125238.db2.gz KEKTVXFVTCAPMQ-GFCCVEGCSA-N 0 0 329.331 3.149 10 5 EGBERN C[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000594709779 459136312 /nfs/dbraw/zinc/13/63/12/459136312.db2.gz HUSPDQHCTKMJSU-VIFPVBQESA-N 0 0 326.278 3.254 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590556990 459148135 /nfs/dbraw/zinc/14/81/35/459148135.db2.gz RAEUJHXPADGPMA-SFHVURJKSA-N 0 0 338.363 3.070 10 5 EGBERN CC(C)C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594743555 459149183 /nfs/dbraw/zinc/14/91/83/459149183.db2.gz HASSHJCISQIAEU-AWEZNQCLSA-N 0 0 349.412 3.056 10 5 EGBERN CO[C@H](COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594893851 459168614 /nfs/dbraw/zinc/16/86/14/459168614.db2.gz LTTNYRVOMVIIKS-NOZJJQNGSA-N 0 0 335.278 3.044 10 5 EGBERN Cc1cn2c(n1)CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)CC2 ZINC000590696786 459186091 /nfs/dbraw/zinc/18/60/91/459186091.db2.gz IRJGAEYOYCOAOC-UHFFFAOYSA-N 0 0 341.396 3.243 10 5 EGBERN Cc1cc(C)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000522030289 459205841 /nfs/dbraw/zinc/20/58/41/459205841.db2.gz GWNHXUSSZVCHST-UHFFFAOYSA-N 0 0 327.340 3.258 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cccc2c1CN(C)C2=O ZINC000595049983 459227711 /nfs/dbraw/zinc/22/77/11/459227711.db2.gz DSZJODNAHITNTR-LLVKDONJSA-N 0 0 341.367 3.362 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000559002266 459230836 /nfs/dbraw/zinc/23/08/36/459230836.db2.gz VNXSNDNJUBYZRA-ZWKOTPCHSA-N 0 0 325.368 3.291 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(C2CC2)n1 ZINC000590841239 459240120 /nfs/dbraw/zinc/24/01/20/459240120.db2.gz ISVBKFVLFRXJBF-UHFFFAOYSA-N 0 0 342.355 3.068 10 5 EGBERN CCOC(=O)c1c(C)n[nH]c1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000595418927 459294263 /nfs/dbraw/zinc/29/42/63/459294263.db2.gz GCUGIGJUATYEQI-CQSZACIVSA-N 0 0 346.387 3.044 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595444355 459304800 /nfs/dbraw/zinc/30/48/00/459304800.db2.gz XRSTVBBNWAXFKS-ZDUSSCGKSA-N 0 0 338.379 3.288 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595469508 459313626 /nfs/dbraw/zinc/31/36/26/459313626.db2.gz PHUHJGPMUJCFAY-SCLBCKFNSA-N 0 0 339.395 3.165 10 5 EGBERN C[C@H]1CCC[N@H+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582183858 459322939 /nfs/dbraw/zinc/32/29/39/459322939.db2.gz CHJXRHBUWGNQRI-ZDUSSCGKSA-N 0 0 335.404 3.217 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000595541003 459339338 /nfs/dbraw/zinc/33/93/38/459339338.db2.gz BDEPVBJUBNMESG-WDEREUQCSA-N 0 0 334.401 3.481 10 5 EGBERN CN1Cc2cc(Oc3nc4c(cc3[N+](=O)[O-])CCCC4)ccc2C1=O ZINC000582297874 459341660 /nfs/dbraw/zinc/34/16/60/459341660.db2.gz KKCDRDZZNZVMOQ-UHFFFAOYSA-N 0 0 339.351 3.247 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544154 459341780 /nfs/dbraw/zinc/34/17/80/459341780.db2.gz MNTDWZMUANTTKM-CJNGLKHVSA-N 0 0 349.431 3.469 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1c2ccccc2CC[C@@H]1CCO ZINC000595551198 459344779 /nfs/dbraw/zinc/34/47/79/459344779.db2.gz GIOFIDVEBNDUDN-MRXNPFEDSA-N 0 0 330.359 3.438 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccco2)CC1 ZINC000595615276 459369091 /nfs/dbraw/zinc/36/90/91/459369091.db2.gz LKMKUFHSTUWDDU-UHFFFAOYSA-N 0 0 343.383 3.314 10 5 EGBERN CC1(C)CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525297569 459444391 /nfs/dbraw/zinc/44/43/91/459444391.db2.gz AADPRQPJJCRVQL-UHFFFAOYSA-N 0 0 335.404 3.242 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@H]3C3CCOCC3)nc2c1 ZINC000591830583 459450633 /nfs/dbraw/zinc/45/06/33/459450633.db2.gz RMOGYJYUBSJEIT-MRXNPFEDSA-N 0 0 342.399 3.257 10 5 EGBERN COc1cc(CN2CCC(c3ccon3)CC2)c([N+](=O)[O-])cc1F ZINC000595827708 459455803 /nfs/dbraw/zinc/45/58/03/459455803.db2.gz FWHVWILEKDOHOA-UHFFFAOYSA-N 0 0 335.335 3.110 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000595886537 459475582 /nfs/dbraw/zinc/47/55/82/459475582.db2.gz OSCIIGAIKGFGGR-ZDUSSCGKSA-N 0 0 348.321 3.147 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC([C@H]3CCOC3)CC1)CCCC2 ZINC000591930259 459489555 /nfs/dbraw/zinc/48/95/55/459489555.db2.gz KYLCQNMNSCOMKY-HNNXBMFYSA-N 0 0 331.416 3.122 10 5 EGBERN CCOC(=O)C1CCC(SCc2onc(C)c2[N+](=O)[O-])CC1 ZINC000596020583 459497031 /nfs/dbraw/zinc/49/70/31/459497031.db2.gz MIJXKGYOOZKBQT-UHFFFAOYSA-N 0 0 328.390 3.246 10 5 EGBERN C[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])CC(F)F ZINC000591961426 459497778 /nfs/dbraw/zinc/49/77/78/459497778.db2.gz HUCYPYQPMZPNCR-GFCCVEGCSA-N 0 0 343.374 3.130 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000591971618 459500816 /nfs/dbraw/zinc/50/08/16/459500816.db2.gz JXEMZDUXGMNFHY-QWHCGFSZSA-N 0 0 337.383 3.426 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(C)(CC(F)F)C1 ZINC000591974100 459502094 /nfs/dbraw/zinc/50/20/94/459502094.db2.gz ZOALMJSZYZXGBD-UHFFFAOYSA-N 0 0 328.315 3.171 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000562032545 459504492 /nfs/dbraw/zinc/50/44/92/459504492.db2.gz GJRGHTNHVJYXLV-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN CC(C)(C)C(F)(F)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596070720 459508581 /nfs/dbraw/zinc/50/85/81/459508581.db2.gz SIRXQOUKOSTOSA-UHFFFAOYSA-N 0 0 329.347 3.194 10 5 EGBERN COc1cc(NC[C@H](CO)Cc2ccco2)c(Cl)cc1[N+](=O)[O-] ZINC000596070361 459508977 /nfs/dbraw/zinc/50/89/77/459508977.db2.gz COLLGYUJYDFKRM-SNVBAGLBSA-N 0 0 340.763 3.113 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541927126 459511963 /nfs/dbraw/zinc/51/19/63/459511963.db2.gz BCSJYCOSPVZBQU-LLVKDONJSA-N 0 0 328.315 3.314 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nnc(-c3ccc(F)cc3)[nH]2)n1 ZINC000541936733 459513083 /nfs/dbraw/zinc/51/30/83/459513083.db2.gz ZPWNNTVGLSQUIG-UHFFFAOYSA-N 0 0 342.334 3.143 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592024203 459513227 /nfs/dbraw/zinc/51/32/27/459513227.db2.gz FPGNRRMCHYRLKO-FPMFFAJLSA-N 0 0 342.399 3.106 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525940115 459517751 /nfs/dbraw/zinc/51/77/51/459517751.db2.gz BEOQMOAIZSDPAE-MGPQQGTHSA-N 0 0 331.416 3.454 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccccn2)c1 ZINC000542043987 459523762 /nfs/dbraw/zinc/52/37/62/459523762.db2.gz BFPGYRIEUAWDJB-CQSZACIVSA-N 0 0 327.340 3.118 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592112970 459526598 /nfs/dbraw/zinc/52/65/98/459526598.db2.gz LXRSFATWKPZBBB-GFCCVEGCSA-N 0 0 344.458 3.308 10 5 EGBERN COc1cc(NCCCOC[C@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596136347 459532602 /nfs/dbraw/zinc/53/26/02/459532602.db2.gz SPBVCOLWDIEIBE-LLVKDONJSA-N 0 0 344.795 3.112 10 5 EGBERN COc1cc(N2CCO[C@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134795 459532742 /nfs/dbraw/zinc/53/27/42/459532742.db2.gz NJNVQISQYSIZDT-NSHDSACASA-N 0 0 340.685 3.024 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596175171 459548576 /nfs/dbraw/zinc/54/85/76/459548576.db2.gz QKHQDNCEDRTBCN-UHFFFAOYSA-N 0 0 345.786 3.451 10 5 EGBERN CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1C(C)C ZINC000596176820 459549423 /nfs/dbraw/zinc/54/94/23/459549423.db2.gz JZZSCXXJGXHYQL-UHFFFAOYSA-N 0 0 345.403 3.413 10 5 EGBERN Cc1cc(N[C@H](C)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])s1 ZINC000596179722 459550921 /nfs/dbraw/zinc/55/09/21/459550921.db2.gz PEILELSIXNSWRC-SNVBAGLBSA-N 0 0 344.396 3.175 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000497790080 459556494 /nfs/dbraw/zinc/55/64/94/459556494.db2.gz JETJHNQLRTXAIO-IIYDPXPESA-N 0 0 332.400 3.468 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596218575 459563647 /nfs/dbraw/zinc/56/36/47/459563647.db2.gz FSOHTWYGDZGZMI-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596223642 459565968 /nfs/dbraw/zinc/56/59/68/459565968.db2.gz UBUZWUFUDGQDIJ-VHSXEESVSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000596223078 459566277 /nfs/dbraw/zinc/56/62/77/459566277.db2.gz OLQUOHYIULNCET-IYSWYEEDSA-N 0 0 338.669 3.398 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596225847 459567283 /nfs/dbraw/zinc/56/72/83/459567283.db2.gz FCOJGEGMUOMNJN-MRXNPFEDSA-N 0 0 335.310 3.218 10 5 EGBERN COc1cc(N(C)Cc2nncn2C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596241546 459572297 /nfs/dbraw/zinc/57/22/97/459572297.db2.gz HGHBGNXPDCTVAJ-UHFFFAOYSA-N 0 0 339.783 3.066 10 5 EGBERN COc1cc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596262959 459578825 /nfs/dbraw/zinc/57/88/25/459578825.db2.gz KNCOLNMXMSGOAQ-MEDUHNTESA-N 0 0 340.807 3.466 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ncc2c(n1)CCOC2 ZINC000596290885 459587089 /nfs/dbraw/zinc/58/70/89/459587089.db2.gz WOFJAGKNIAEPKY-UHFFFAOYSA-N 0 0 336.298 3.007 10 5 EGBERN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000596311553 459592147 /nfs/dbraw/zinc/59/21/47/459592147.db2.gz FKIJPFLMSPAMFX-GFCCVEGCSA-N 0 0 340.383 3.098 10 5 EGBERN CO[C@@H](CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596319032 459595244 /nfs/dbraw/zinc/59/52/44/459595244.db2.gz SAWBHRUWQDVDTK-HZMBPMFUSA-N 0 0 348.321 3.385 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000596349434 459604748 /nfs/dbraw/zinc/60/47/48/459604748.db2.gz HELJPBKYNWDDHY-MNOVXSKESA-N 0 0 346.305 3.081 10 5 EGBERN CN(C)c1nc(CSCc2ccc(F)cc2[N+](=O)[O-])ns1 ZINC000596354766 459605912 /nfs/dbraw/zinc/60/59/12/459605912.db2.gz JWJBAPCNGNOZDT-UHFFFAOYSA-N 0 0 328.394 3.085 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c1c(F)ccc2F ZINC000498995035 459616498 /nfs/dbraw/zinc/61/64/98/459616498.db2.gz AYUWODJFWPDXFT-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN CO[C@@H](CSCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000596390581 459619525 /nfs/dbraw/zinc/61/95/25/459619525.db2.gz RTCPMXYJPJNIMS-OTYXRUKQSA-N 0 0 333.356 3.158 10 5 EGBERN CO[C@H](CSCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000596390586 459619651 /nfs/dbraw/zinc/61/96/51/459619651.db2.gz RTCPMXYJPJNIMS-YMTOWFKASA-N 0 0 333.356 3.158 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000499097021 459620442 /nfs/dbraw/zinc/62/04/42/459620442.db2.gz BCXNMKUVMSYXPI-GDBMZVCRSA-N 0 0 349.431 3.301 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC=CCC1 ZINC000543165784 459629416 /nfs/dbraw/zinc/62/94/16/459629416.db2.gz DHFGGSOVAKYSEK-CYBMUJFWSA-N 0 0 338.429 3.134 10 5 EGBERN Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543176964 459630777 /nfs/dbraw/zinc/63/07/77/459630777.db2.gz NTHIBDQMIWXDSQ-OAHLLOKOSA-N 0 0 346.408 3.081 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@@H](OC)C2CCC2)c1 ZINC000596419584 459631115 /nfs/dbraw/zinc/63/11/15/459631115.db2.gz VAYZCPYNKQSQFI-OAHLLOKOSA-N 0 0 339.413 3.430 10 5 EGBERN CO[C@H](CSCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596418466 459631367 /nfs/dbraw/zinc/63/13/67/459631367.db2.gz NYXLWEKBQIQOCZ-OAHLLOKOSA-N 0 0 338.429 3.472 10 5 EGBERN COc1cc(NC[C@@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000543186981 459632411 /nfs/dbraw/zinc/63/24/11/459632411.db2.gz YYOWKYSEAFVHQO-ZDUSSCGKSA-N 0 0 334.347 3.148 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cscn1 ZINC000596434847 459634689 /nfs/dbraw/zinc/63/46/89/459634689.db2.gz YKQBKAUWTZMOKK-SECBINFHSA-N 0 0 332.385 3.117 10 5 EGBERN CC(C)[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1F ZINC000596441916 459637501 /nfs/dbraw/zinc/63/75/01/459637501.db2.gz RYOHCHRHQQGMSB-ZDUSSCGKSA-N 0 0 332.335 3.037 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@H]1[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596452529 459641702 /nfs/dbraw/zinc/64/17/02/459641702.db2.gz GFNOXHUIWAODGP-COXVUDFISA-N 0 0 349.431 3.238 10 5 EGBERN C[C@@H](C(=O)N1CCOC[C@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000584075679 459647551 /nfs/dbraw/zinc/64/75/51/459647551.db2.gz RCOQSPCVXJJJCS-CXAGYDPISA-N 0 0 332.400 3.116 10 5 EGBERN C[C@]12COC[C@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000596481065 459651101 /nfs/dbraw/zinc/65/11/01/459651101.db2.gz SKSNJJAAPJUETN-WBMJQRKESA-N 0 0 331.397 3.191 10 5 EGBERN C[C@]12COC[C@@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000596481063 459651533 /nfs/dbraw/zinc/65/15/33/459651533.db2.gz SKSNJJAAPJUETN-LRDDRELGSA-N 0 0 331.397 3.191 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCC2 ZINC000596493063 459656377 /nfs/dbraw/zinc/65/63/77/459656377.db2.gz GHCWMYXTKBTJAV-LSDHHAIUSA-N 0 0 349.431 3.208 10 5 EGBERN Cc1cncc(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC000596497847 459657110 /nfs/dbraw/zinc/65/71/10/459657110.db2.gz DPYHZWIUGVPEHJ-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC000596515552 459662862 /nfs/dbraw/zinc/66/28/62/459662862.db2.gz ZKKKYQLBDQHRMQ-HUUCEWRRSA-N 0 0 347.415 3.232 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000596518878 459664704 /nfs/dbraw/zinc/66/47/04/459664704.db2.gz YAADYFFVUKKNGT-LSDHHAIUSA-N 0 0 332.404 3.290 10 5 EGBERN COc1cc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596554974 459675194 /nfs/dbraw/zinc/67/51/94/459675194.db2.gz NNDKQKOUYHFECX-ONGXEEELSA-N 0 0 334.294 3.150 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](CC(F)(F)F)O1 ZINC000596554831 459675431 /nfs/dbraw/zinc/67/54/31/459675431.db2.gz MXTGRMKJBLIORC-WCBMZHEXSA-N 0 0 344.293 3.017 10 5 EGBERN CCOc1cc(N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596557816 459675944 /nfs/dbraw/zinc/67/59/44/459675944.db2.gz LWWJHVDTZSWLQK-LLVKDONJSA-N 0 0 334.294 3.151 10 5 EGBERN C[C@]1(C(F)F)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000596571918 459681392 /nfs/dbraw/zinc/68/13/92/459681392.db2.gz JLNVTRUZFXUTFI-GFCCVEGCSA-N 0 0 340.248 3.474 10 5 EGBERN CC(C)(CC(F)(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000596596735 459691587 /nfs/dbraw/zinc/69/15/87/459691587.db2.gz UGKQRQGJPVHBLD-UHFFFAOYSA-N 0 0 330.266 3.194 10 5 EGBERN CSc1ccc(C(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592834624 459701195 /nfs/dbraw/zinc/70/11/95/459701195.db2.gz GDSKMICHMZXSJL-UHFFFAOYSA-N 0 0 330.356 3.434 10 5 EGBERN Cc1nc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)[nH]c1C ZINC000596621728 459701666 /nfs/dbraw/zinc/70/16/66/459701666.db2.gz QIAQBNNOZNRSTP-ZETCQYMHSA-N 0 0 331.307 3.276 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592853724 459704487 /nfs/dbraw/zinc/70/44/87/459704487.db2.gz LALQZCWXKISFCJ-INIZCTEOSA-N 0 0 336.413 3.481 10 5 EGBERN Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000584298950 459705604 /nfs/dbraw/zinc/70/56/04/459705604.db2.gz AAGDMRVUZUWQFO-UHFFFAOYSA-N 0 0 346.817 3.443 10 5 EGBERN Cc1c(NC(=O)NCc2c(C3CCC3)cnn2C)cccc1[N+](=O)[O-] ZINC000596635868 459707031 /nfs/dbraw/zinc/70/70/31/459707031.db2.gz RIVRIKOABCJGPM-UHFFFAOYSA-N 0 0 343.387 3.226 10 5 EGBERN COc1ccc(CC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592899351 459716234 /nfs/dbraw/zinc/71/62/34/459716234.db2.gz DQPRLQVVTCTWSH-GOSISDBHSA-N 0 0 344.411 3.349 10 5 EGBERN CC(C)[C@@H]1N(C(=O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592901560 459716953 /nfs/dbraw/zinc/71/69/53/459716953.db2.gz KVKBKEIPPMMCIC-KRWDZBQOSA-N 0 0 330.384 3.177 10 5 EGBERN O=[N+]([O-])c1ccc(CN(Cc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000593020089 459742536 /nfs/dbraw/zinc/74/25/36/459742536.db2.gz JHURGESZMADOMI-UHFFFAOYSA-N 0 0 326.400 3.292 10 5 EGBERN CC[C@H](C)[C@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000584487036 459752589 /nfs/dbraw/zinc/75/25/89/459752589.db2.gz HPBQKSAPIQBNDD-SMDDNHRTSA-N 0 0 335.404 3.490 10 5 EGBERN CCCCCc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000596777421 459760410 /nfs/dbraw/zinc/76/04/10/459760410.db2.gz YZRKLGXZKRKFNF-UHFFFAOYSA-N 0 0 330.388 3.323 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000596823043 459771607 /nfs/dbraw/zinc/77/16/07/459771607.db2.gz NLCVXWQEDRORBZ-XJKSGUPXSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(NC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596825004 459772466 /nfs/dbraw/zinc/77/24/66/459772466.db2.gz UAVKXLBSGZNYKE-ZUZCIYMTSA-N 0 0 343.330 3.180 10 5 EGBERN CCOC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000584603119 459774938 /nfs/dbraw/zinc/77/49/38/459774938.db2.gz KBKMGKRISRHOCA-BYCMXARLSA-N 0 0 335.356 3.120 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000593112957 459776220 /nfs/dbraw/zinc/77/62/20/459776220.db2.gz SXAUTUZXKXQOPW-UHFFFAOYSA-N 0 0 343.358 3.078 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@@H](C)c2cnccn2)c1 ZINC000593193004 459802267 /nfs/dbraw/zinc/80/22/67/459802267.db2.gz MQEVWFHTHFEZFX-JTQLQIEISA-N 0 0 333.369 3.166 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2cccnc2OC(C)C)c1 ZINC000593236532 459816128 /nfs/dbraw/zinc/81/61/28/459816128.db2.gz OPAJNAAKBQWVEJ-UHFFFAOYSA-N 0 0 346.339 3.143 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1Cc1ccccc1F ZINC000593253130 459821161 /nfs/dbraw/zinc/82/11/61/459821161.db2.gz QPCFNDKKAYDBQQ-ZDUSSCGKSA-N 0 0 331.347 3.299 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2ccccc2Cl)CCC1 ZINC000585090148 459822127 /nfs/dbraw/zinc/82/21/27/459822127.db2.gz NERNKSRTDOZNHV-UHFFFAOYSA-N 0 0 348.790 3.030 10 5 EGBERN CSc1ccccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000566216292 459824059 /nfs/dbraw/zinc/82/40/59/459824059.db2.gz ZLZDNIUOTAOQQD-UHFFFAOYSA-N 0 0 330.409 3.406 10 5 EGBERN C[C@@H](C(=O)N[C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593279984 459827891 /nfs/dbraw/zinc/82/78/91/459827891.db2.gz OTJHEWVDOQXXDY-SJKOYZFVSA-N 0 0 332.400 3.020 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000593280008 459828275 /nfs/dbraw/zinc/82/82/75/459828275.db2.gz QFZWWXMBPACBAN-QGZVFWFLSA-N 0 0 346.427 3.194 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cn3c(n2)CCCC3)n1 ZINC000593293752 459831601 /nfs/dbraw/zinc/83/16/01/459831601.db2.gz HWWSWWZOAAGRMA-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CCn1cc(CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C(C)C)cn1 ZINC000593313764 459837873 /nfs/dbraw/zinc/83/78/73/459837873.db2.gz PTOKHIKMNQXRRY-UHFFFAOYSA-N 0 0 336.417 3.232 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2F)CC2CC2)n1 ZINC000598251983 459840287 /nfs/dbraw/zinc/84/02/87/459840287.db2.gz PUSCNVLICHGLQK-UHFFFAOYSA-N 0 0 346.362 3.003 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000593325883 459844135 /nfs/dbraw/zinc/84/41/35/459844135.db2.gz FSNYTMFWEWDQDR-GFCCVEGCSA-N 0 0 325.368 3.100 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598295007 459852050 /nfs/dbraw/zinc/85/20/50/459852050.db2.gz DFIWPTYUZLNAGN-HUUCEWRRSA-N 0 0 332.400 3.451 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000593358839 459861743 /nfs/dbraw/zinc/86/17/43/459861743.db2.gz PFRKXRJBQUYIGC-CYBMUJFWSA-N 0 0 336.388 3.096 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000597179665 459864440 /nfs/dbraw/zinc/86/44/40/459864440.db2.gz IJTPJUHPQKBMSP-DGCLKSJQSA-N 0 0 347.396 3.472 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000597179664 459864501 /nfs/dbraw/zinc/86/45/01/459864501.db2.gz IJTPJUHPQKBMSP-AAEUAGOBSA-N 0 0 347.396 3.472 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000598328060 459868065 /nfs/dbraw/zinc/86/80/65/459868065.db2.gz IKZMGDGENRHURV-IIAWOOMASA-N 0 0 343.427 3.313 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586777888 459870546 /nfs/dbraw/zinc/87/05/46/459870546.db2.gz ZXWFFKSRRPKCRK-PRHODGIISA-N 0 0 338.713 3.400 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000586777059 459870641 /nfs/dbraw/zinc/87/06/41/459870641.db2.gz DHUULBNUUPKOFL-UFBFGSQYSA-N 0 0 338.713 3.400 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598337420 459870993 /nfs/dbraw/zinc/87/09/93/459870993.db2.gz QFRQRZWCHWHXOC-GFCCVEGCSA-N 0 0 326.343 3.280 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598339603 459871702 /nfs/dbraw/zinc/87/17/02/459871702.db2.gz ANPJAQHDEPAZKF-GFCCVEGCSA-N 0 0 326.343 3.280 10 5 EGBERN CC1(C)[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000598340763 459872120 /nfs/dbraw/zinc/87/21/20/459872120.db2.gz LHLJIGIRZQWKAC-ZDUSSCGKSA-N 0 0 341.358 3.194 10 5 EGBERN C[C@]12COC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000597212541 459878853 /nfs/dbraw/zinc/87/88/53/459878853.db2.gz VFAZWPLZOSIZFR-ACJLOTCBSA-N 0 0 328.368 3.323 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000598364421 459879675 /nfs/dbraw/zinc/87/96/75/459879675.db2.gz OIBFIPNWBAHEHQ-UHFFFAOYSA-N 0 0 326.352 3.125 10 5 EGBERN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598367296 459880933 /nfs/dbraw/zinc/88/09/33/459880933.db2.gz PDXWTYXJIWGXOS-IYXRBSQSSA-N 0 0 338.379 3.397 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC[C@@H]1CCO ZINC000586835099 459884072 /nfs/dbraw/zinc/88/40/72/459884072.db2.gz FCXIVHCKBUYNGN-DLBZAZTESA-N 0 0 348.443 3.317 10 5 EGBERN COc1ccc(-c2ccc(C[N@@H+]3CCC4(COC4)C3)o2)c([N+](=O)[O-])c1 ZINC000597228869 459885255 /nfs/dbraw/zinc/88/52/55/459885255.db2.gz HOWZSAZTNPUXAS-UHFFFAOYSA-N 0 0 344.367 3.086 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000598399541 459889679 /nfs/dbraw/zinc/88/96/79/459889679.db2.gz AENIDZLJBJMGTD-AWEZNQCLSA-N 0 0 349.293 3.337 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOC[C@H]1CCCO1 ZINC000593455159 459894589 /nfs/dbraw/zinc/89/45/89/459894589.db2.gz RKOGDHPXZJWFMP-CQSZACIVSA-N 0 0 331.372 3.141 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462397 459896595 /nfs/dbraw/zinc/89/65/95/459896595.db2.gz VWPJYNNZYJNFHW-OLZOCXBDSA-N 0 0 342.399 3.202 10 5 EGBERN Cc1cc(Br)cc(C)c1CNc1ccncc1[N+](=O)[O-] ZINC000608973313 459897898 /nfs/dbraw/zinc/89/78/98/459897898.db2.gz IHXSTHOTGQHBTL-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN Nc1cc(N[C@@H](Cc2ccccc2)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000587981986 459898074 /nfs/dbraw/zinc/89/80/74/459898074.db2.gz YXPKWHKPMMKUAQ-KRWDZBQOSA-N 0 0 327.384 3.103 10 5 EGBERN Cc1nn(CCC(=O)NC[C@@H](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598439858 459899886 /nfs/dbraw/zinc/89/98/86/459899886.db2.gz YNCHEFYQEQWVBI-GFCCVEGCSA-N 0 0 336.436 3.131 10 5 EGBERN CC(C)[C@@]1(CO)CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593474896 459900920 /nfs/dbraw/zinc/90/09/20/459900920.db2.gz CUTJUZCKMRTKEG-SFHVURJKSA-N 0 0 329.400 3.378 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)c(OC(F)F)c1 ZINC000546182988 459901724 /nfs/dbraw/zinc/90/17/24/459901724.db2.gz XFHGHPPADVUHMG-LBPRGKRZSA-N 0 0 338.310 3.384 10 5 EGBERN Cc1oc2ccccc2c1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588018605 459903443 /nfs/dbraw/zinc/90/34/43/459903443.db2.gz WORSPAOBWWSQGB-UHFFFAOYSA-N 0 0 341.367 3.379 10 5 EGBERN Nc1cc(NCc2ccc(Cl)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000588022105 459903605 /nfs/dbraw/zinc/90/36/05/459903605.db2.gz HPRBVRYWDIDQTI-UHFFFAOYSA-N 0 0 325.727 3.074 10 5 EGBERN CN(Cc1ccc(F)c(Cl)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588033828 459904458 /nfs/dbraw/zinc/90/44/58/459904458.db2.gz QCMNRVLJKPIVOY-UHFFFAOYSA-N 0 0 339.754 3.098 10 5 EGBERN COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000609128352 459907015 /nfs/dbraw/zinc/90/70/15/459907015.db2.gz ZLEJSHCSTAQGJL-CABCVRRESA-N 0 0 334.416 3.477 10 5 EGBERN Cc1cc(-c2nc(Cc3ccc4c(c3)OCO4)no2)ccc1[N+](=O)[O-] ZINC000546300432 459909168 /nfs/dbraw/zinc/90/91/68/459909168.db2.gz FFFATWPRONWACQ-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN CCOc1cc(N[C@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593521532 459914237 /nfs/dbraw/zinc/91/42/37/459914237.db2.gz UOCSEFOROZDBQD-AWEZNQCLSA-N 0 0 343.383 3.182 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000613779275 459930579 /nfs/dbraw/zinc/93/05/79/459930579.db2.gz OOQOVOLHOCFOQB-LLVKDONJSA-N 0 0 329.303 3.139 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598567126 459939857 /nfs/dbraw/zinc/93/98/57/459939857.db2.gz ASUNTVOUQQWCHV-CLAHSXSESA-N 0 0 348.733 3.133 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598574826 459945711 /nfs/dbraw/zinc/94/57/11/459945711.db2.gz RHAULIGMTXAPKL-CQSZACIVSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588382407 459953970 /nfs/dbraw/zinc/95/39/70/459953970.db2.gz CQVJCOBPXWKFQN-MFKMUULPSA-N 0 0 327.331 3.451 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000593727682 459965762 /nfs/dbraw/zinc/96/57/62/459965762.db2.gz QIEFKQQTFIEUGM-KRWDZBQOSA-N 0 0 347.802 3.100 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(C3CC3)cc2F)c1[N+](=O)[O-] ZINC000598627952 459969341 /nfs/dbraw/zinc/96/93/41/459969341.db2.gz XAKYEBYSTWHTAR-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN Cn1cc(C(=O)N2CCC23CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593758056 459976757 /nfs/dbraw/zinc/97/67/57/459976757.db2.gz QATVHIHNIUIAGQ-UHFFFAOYSA-N 0 0 340.383 3.154 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598649333 459977173 /nfs/dbraw/zinc/97/71/73/459977173.db2.gz NTPZTIMREUZODX-UHFFFAOYSA-N 0 0 333.363 3.386 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(CC2CC2)C1 ZINC000598656523 459981593 /nfs/dbraw/zinc/98/15/93/459981593.db2.gz AZPGURUFLUMADW-UHFFFAOYSA-N 0 0 342.399 3.060 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC(C1CC1)C1CC1 ZINC000588868550 459994405 /nfs/dbraw/zinc/99/44/05/459994405.db2.gz KTARPGMHEQTMJT-UHFFFAOYSA-N 0 0 342.399 3.106 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1[N+](=O)[O-] ZINC000593829210 459998992 /nfs/dbraw/zinc/99/89/92/459998992.db2.gz SNFLJKABXLVNSR-ZDUSSCGKSA-N 0 0 346.362 3.003 10 5 EGBERN CCc1cccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000593861114 460005344 /nfs/dbraw/zinc/00/53/44/460005344.db2.gz DGTSYGMNMSXYTL-UHFFFAOYSA-N 0 0 340.379 3.437 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000597615567 460009611 /nfs/dbraw/zinc/00/96/11/460009611.db2.gz GICUKMJCFCZGKC-GJZGRUSLSA-N 0 0 339.395 3.187 10 5 EGBERN Cc1cccc(COCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000598735148 460011420 /nfs/dbraw/zinc/01/14/20/460011420.db2.gz PYAHNBBKFFVRKR-UHFFFAOYSA-N 0 0 342.395 3.121 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593917576 460017057 /nfs/dbraw/zinc/01/70/57/460017057.db2.gz WGSSLSOIDUUMCT-OAHLLOKOSA-N 0 0 343.358 3.281 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2ccccc2C1 ZINC000609784115 460017267 /nfs/dbraw/zinc/01/72/67/460017267.db2.gz YYAPHPBHUGLKFS-OAHLLOKOSA-N 0 0 344.798 3.464 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597683263 460026069 /nfs/dbraw/zinc/02/60/69/460026069.db2.gz BSRUCJUJLYYECZ-LSDHHAIUSA-N 0 0 343.383 3.435 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597685165 460026262 /nfs/dbraw/zinc/02/62/62/460026262.db2.gz SVQXHIVLBHMBQD-UHFFFAOYSA-N 0 0 349.412 3.423 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC(CC2CC2)C1 ZINC000598782093 460032565 /nfs/dbraw/zinc/03/25/65/460032565.db2.gz VRNJVENVBXPOIC-UHFFFAOYSA-N 0 0 328.290 3.486 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(C(F)(F)F)cnn1C ZINC000598802972 460040605 /nfs/dbraw/zinc/04/06/05/460040605.db2.gz LHKWFCXNPMXRQO-UHFFFAOYSA-N 0 0 342.277 3.216 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000597727971 460040956 /nfs/dbraw/zinc/04/09/56/460040956.db2.gz PZWCRHGGCDCHAQ-QGZVFWFLSA-N 0 0 338.363 3.391 10 5 EGBERN CCOC(=O)c1ccnc(N(C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000609960923 460041000 /nfs/dbraw/zinc/04/10/00/460041000.db2.gz YLGRJUAAGZOXOV-UHFFFAOYSA-N 0 0 349.774 3.456 10 5 EGBERN Cc1cccc2c1CCN2c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000589214269 460056699 /nfs/dbraw/zinc/05/66/99/460056699.db2.gz FXQAHMBSHAAFFB-UHFFFAOYSA-N 0 0 335.367 3.393 10 5 EGBERN Cc1ccc(Nc2ccncc2[N+](=O)[O-])cc1OCC1CCOCC1 ZINC000610160402 460073121 /nfs/dbraw/zinc/07/31/21/460073121.db2.gz LQPZSVMNGIFPQT-UHFFFAOYSA-N 0 0 343.383 3.269 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598869685 460075953 /nfs/dbraw/zinc/07/59/53/460075953.db2.gz GUTGAKSMCRGVNP-MRXNPFEDSA-N 0 0 342.351 3.182 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594053507 460076305 /nfs/dbraw/zinc/07/63/05/460076305.db2.gz BODAMAITPHZVMP-HOTGVXAUSA-N 0 0 333.388 3.372 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000594055503 460077373 /nfs/dbraw/zinc/07/73/73/460077373.db2.gz LAFFAFMYMJVUIW-LLVKDONJSA-N 0 0 339.392 3.176 10 5 EGBERN COC1CC(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597863042 460083554 /nfs/dbraw/zinc/08/35/54/460083554.db2.gz CKBYEFANFOFDSN-UHFFFAOYSA-N 0 0 346.305 3.159 10 5 EGBERN CSc1ccc(C(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000597864447 460085757 /nfs/dbraw/zinc/08/57/57/460085757.db2.gz OAXYHVXYGRQDDV-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CSc1ccc(C(=O)N2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000594070068 460085774 /nfs/dbraw/zinc/08/57/74/460085774.db2.gz JXKAZRFSOBVBRM-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598893836 460088393 /nfs/dbraw/zinc/08/83/93/460088393.db2.gz YMZBMHFUBRGYBP-LBPRGKRZSA-N 0 0 347.321 3.432 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594074450 460088548 /nfs/dbraw/zinc/08/85/48/460088548.db2.gz VXNIHHNRYNLOPB-DLBZAZTESA-N 0 0 332.400 3.235 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CCC3)cc2[N+](=O)[O-])C1 ZINC000610236914 460091712 /nfs/dbraw/zinc/09/17/12/460091712.db2.gz JINZCBULZSLKLM-CYBMUJFWSA-N 0 0 331.416 3.456 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594081824 460092889 /nfs/dbraw/zinc/09/28/89/460092889.db2.gz VTSJHWDCBZJMPF-HZPDHXFCSA-N 0 0 333.388 3.372 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000598934732 460094016 /nfs/dbraw/zinc/09/40/16/460094016.db2.gz BTWRPXQPSTWBDY-UHFFFAOYSA-N 0 0 330.363 3.206 10 5 EGBERN Cc1cc(C)cc(C[C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000589580550 460104973 /nfs/dbraw/zinc/10/49/73/460104973.db2.gz WRGGYQAJSWJFBL-CYBMUJFWSA-N 0 0 329.400 3.329 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000610279492 460106009 /nfs/dbraw/zinc/10/60/09/460106009.db2.gz PINIPZSMALUUIB-LBPRGKRZSA-N 0 0 332.791 3.146 10 5 EGBERN Nc1cc(NCc2ccc3sccc3c2)cc(CO)c1[N+](=O)[O-] ZINC000589599922 460109107 /nfs/dbraw/zinc/10/91/07/460109107.db2.gz OFQJIYRBLUWCIH-UHFFFAOYSA-N 0 0 329.381 3.496 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000597922012 460112101 /nfs/dbraw/zinc/11/21/01/460112101.db2.gz YFGPMNYZHVMGBZ-ZDUSSCGKSA-N 0 0 338.429 3.008 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597920953 460112708 /nfs/dbraw/zinc/11/27/08/460112708.db2.gz DCCOIGHNTNLJMP-HYVNUMGLSA-N 0 0 332.400 3.020 10 5 EGBERN COc1cccc(C(=O)N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000597925593 460113967 /nfs/dbraw/zinc/11/39/67/460113967.db2.gz OKVTXOZLGMFKMS-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594135928 460120480 /nfs/dbraw/zinc/12/04/80/460120480.db2.gz HRKJQQSBRXYSQZ-CQSZACIVSA-N 0 0 336.432 3.440 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594135242 460121090 /nfs/dbraw/zinc/12/10/90/460121090.db2.gz GFLYYCXBZMVLRB-VNQPRFMTSA-N 0 0 334.416 3.266 10 5 EGBERN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597943452 460122272 /nfs/dbraw/zinc/12/22/72/460122272.db2.gz AGASMCPXALEXQJ-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(F)(F)F)o1 ZINC000594154243 460128869 /nfs/dbraw/zinc/12/88/69/460128869.db2.gz ORCZUUROKMUAMF-CQSZACIVSA-N 0 0 342.273 3.459 10 5 EGBERN Cc1c(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594165677 460135124 /nfs/dbraw/zinc/13/51/24/460135124.db2.gz QXZAOZSJPDJRIH-GWCFXTLKSA-N 0 0 346.305 3.133 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(C2CC2)C1 ZINC000589791037 460139762 /nfs/dbraw/zinc/13/97/62/460139762.db2.gz BJLSALDSKFDNTF-UHFFFAOYSA-N 0 0 343.305 3.165 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594184593 460140189 /nfs/dbraw/zinc/14/01/89/460140189.db2.gz ZVZWHDFOASHJND-UKRRQHHQSA-N 0 0 336.388 3.071 10 5 EGBERN COC(=O)CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598004173 460142687 /nfs/dbraw/zinc/14/26/87/460142687.db2.gz OMJPTHSPKOWCQE-CYBMUJFWSA-N 0 0 348.399 3.033 10 5 EGBERN Cc1nccn1CCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058175 460144303 /nfs/dbraw/zinc/14/43/03/460144303.db2.gz JQDUHCFWLOQHQR-UHFFFAOYSA-N 0 0 325.372 3.174 10 5 EGBERN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598015282 460144551 /nfs/dbraw/zinc/14/45/51/460144551.db2.gz SSRSMFNSQFCGRI-LLVKDONJSA-N 0 0 334.401 3.121 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594204517 460149643 /nfs/dbraw/zinc/14/96/43/460149643.db2.gz QWBSCFVHIFVWSD-AWEZNQCLSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1cncn1C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599082966 460155058 /nfs/dbraw/zinc/15/50/58/460155058.db2.gz ZVOTWIHIRIFZSL-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598068425 460158695 /nfs/dbraw/zinc/15/86/95/460158695.db2.gz XSNQNWKPSJVNHE-IYBDPMFKSA-N 0 0 338.791 3.055 10 5 EGBERN COc1cccc([C@@H](CNc2c(OC)cccc2[N+](=O)[O-])OC)c1 ZINC000599114735 460163936 /nfs/dbraw/zinc/16/39/36/460163936.db2.gz APDCZVRTFFDMRE-MRXNPFEDSA-N 0 0 332.356 3.412 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000599118192 460166047 /nfs/dbraw/zinc/16/60/47/460166047.db2.gz SEQZTVODZKRKCT-VIFPVBQESA-N 0 0 335.673 3.055 10 5 EGBERN CCOC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599135771 460171837 /nfs/dbraw/zinc/17/18/37/460171837.db2.gz YONLKLUBLUVXEI-OLZOCXBDSA-N 0 0 336.413 3.246 10 5 EGBERN O=[N+]([O-])c1sccc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599139210 460172927 /nfs/dbraw/zinc/17/29/27/460172927.db2.gz MNVFSZUMADWONP-UHFFFAOYSA-N 0 0 336.360 3.025 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000599142649 460173509 /nfs/dbraw/zinc/17/35/09/460173509.db2.gz ZSAQUCVPDCMUHP-ZDUSSCGKSA-N 0 0 344.350 3.183 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000599142648 460173661 /nfs/dbraw/zinc/17/36/61/460173661.db2.gz ZSAQUCVPDCMUHP-CYBMUJFWSA-N 0 0 344.350 3.183 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000598100942 460173967 /nfs/dbraw/zinc/17/39/67/460173967.db2.gz LAKCFFBXULAKAS-XHDPSFHLSA-N 0 0 326.352 3.062 10 5 EGBERN CCOc1cccc(NC[C@@H]2c3ccccc3C(=O)N2C)c1[N+](=O)[O-] ZINC000599163258 460182059 /nfs/dbraw/zinc/18/20/59/460182059.db2.gz FIXJYJVIYQNVLX-OAHLLOKOSA-N 0 0 341.367 3.232 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599164311 460183247 /nfs/dbraw/zinc/18/32/47/460183247.db2.gz LLVYEUHYCIKWPQ-JWUFEOHASA-N 0 0 342.779 3.259 10 5 EGBERN CC(C)(CNc1nccc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000599170609 460185922 /nfs/dbraw/zinc/18/59/22/460185922.db2.gz MODFRKODAUGWOP-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000599180597 460190088 /nfs/dbraw/zinc/19/00/88/460190088.db2.gz MILKBKWRDBNZDK-TVQRCGJNSA-N 0 0 327.178 3.337 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(Nc3ncc([N+](=O)[O-])cc3F)cc21 ZINC000599181468 460190150 /nfs/dbraw/zinc/19/01/50/460190150.db2.gz CDVMMYGVOHFKPM-VIFPVBQESA-N 0 0 330.319 3.343 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000599183196 460191175 /nfs/dbraw/zinc/19/11/75/460191175.db2.gz YNFMFMWMPPEADN-JTQLQIEISA-N 0 0 343.387 3.333 10 5 EGBERN COC[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000599202995 460198459 /nfs/dbraw/zinc/19/84/59/460198459.db2.gz SZUMSNSNQZRKQK-QGZVFWFLSA-N 0 0 338.404 3.014 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000610620705 460200006 /nfs/dbraw/zinc/20/00/06/460200006.db2.gz SURCJEUWIGOYMX-AWEZNQCLSA-N 0 0 331.347 3.440 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598206776 460203112 /nfs/dbraw/zinc/20/31/12/460203112.db2.gz HAUPOXVLCHUDAS-JBLDHEPKSA-N 0 0 340.326 3.362 10 5 EGBERN C[C@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000598214190 460206020 /nfs/dbraw/zinc/20/60/20/460206020.db2.gz GUYDRPQFLHNEEK-CYBMUJFWSA-N 0 0 348.733 3.179 10 5 EGBERN C[C@]1(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598216676 460208193 /nfs/dbraw/zinc/20/81/93/460208193.db2.gz SGVLLGHWGYLKQM-HNNXBMFYSA-N 0 0 339.342 3.334 10 5 EGBERN C[C@@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1(F)F ZINC000598217243 460209052 /nfs/dbraw/zinc/20/90/52/460209052.db2.gz SUWJEHAQMNISEY-NSHDSACASA-N 0 0 338.232 3.389 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CC2(F)F)cc1SC ZINC000598219485 460209686 /nfs/dbraw/zinc/20/96/86/460209686.db2.gz QXBSQCWFIMKNTL-ZDUSSCGKSA-N 0 0 346.355 3.100 10 5 EGBERN C[C@]1(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(F)F ZINC000598220662 460210034 /nfs/dbraw/zinc/21/00/34/460210034.db2.gz PKBMUCKWSWMKIQ-HNNXBMFYSA-N 0 0 337.326 3.170 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598226995 460214525 /nfs/dbraw/zinc/21/45/25/460214525.db2.gz AMAZXLJQQMBOJT-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000598233379 460215901 /nfs/dbraw/zinc/21/59/01/460215901.db2.gz VIKGHJBIUNROFX-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000598234233 460216557 /nfs/dbraw/zinc/21/65/57/460216557.db2.gz FUADXGJECKSLOV-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCCO1 ZINC000610720276 460224779 /nfs/dbraw/zinc/22/47/79/460224779.db2.gz NLQLUCUGGKSYRW-INIZCTEOSA-N 0 0 345.399 3.401 10 5 EGBERN CC(C)CCc1ccccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610876232 460254354 /nfs/dbraw/zinc/25/43/54/460254354.db2.gz FSPHLMBQYPWHFC-UHFFFAOYSA-N 0 0 345.403 3.202 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3sc(Br)cc3C2)cn1 ZINC000610929949 460262305 /nfs/dbraw/zinc/26/23/05/460262305.db2.gz SXDLMEDOPOGZPG-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc2ccccc2c2cccnc12 ZINC000619085100 460265011 /nfs/dbraw/zinc/26/50/11/460265011.db2.gz AIFMTNXWJGQEKB-ZWKOTPCHSA-N 0 0 332.403 3.421 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000611084857 460287075 /nfs/dbraw/zinc/28/70/75/460287075.db2.gz UUXBHEWWXMCUAI-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN COC(=O)[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000615197781 460291690 /nfs/dbraw/zinc/29/16/90/460291690.db2.gz PWIXXWNUARXXJS-AWEZNQCLSA-N 0 0 336.388 3.036 10 5 EGBERN CC[C@@H](NC(=O)c1ocnc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599635170 460293786 /nfs/dbraw/zinc/29/37/86/460293786.db2.gz NPBVHMWOVLUNHC-SNVBAGLBSA-N 0 0 325.271 3.402 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599642497 460295993 /nfs/dbraw/zinc/29/59/93/460295993.db2.gz HLBFMYNAUXUNDR-SFHVURJKSA-N 0 0 328.368 3.081 10 5 EGBERN CSc1ccc(C(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000611159589 460298312 /nfs/dbraw/zinc/29/83/12/460298312.db2.gz LICOOLQEHUEYQW-UHFFFAOYSA-N 0 0 342.327 3.240 10 5 EGBERN COC(=O)[C@](C)(NCCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599652896 460298714 /nfs/dbraw/zinc/29/87/14/460298714.db2.gz NVTYSPNAMUIRJH-CQSZACIVSA-N 0 0 348.321 3.305 10 5 EGBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000603512564 460314271 /nfs/dbraw/zinc/31/42/71/460314271.db2.gz LXDXWIOHWXSPPM-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1c(NC(=O)N[C@]2(CO)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000599703146 460316703 /nfs/dbraw/zinc/31/67/03/460316703.db2.gz ZGZGDTRMPLQKFA-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599770172 460330792 /nfs/dbraw/zinc/33/07/92/460330792.db2.gz LJUHETYXZHNRBT-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611339187 460340415 /nfs/dbraw/zinc/34/04/15/460340415.db2.gz RABFVTRDWRBULN-NWDGAFQWSA-N 0 0 325.796 3.286 10 5 EGBERN CCO[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830611 460343110 /nfs/dbraw/zinc/34/31/10/460343110.db2.gz VGWFEAUTCBKWCK-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN CC(C)(C)C[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830028 460343348 /nfs/dbraw/zinc/34/33/48/460343348.db2.gz PGOLKQSMIPCAMB-NSHDSACASA-N 0 0 346.387 3.062 10 5 EGBERN CN(CCOC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830970 460343993 /nfs/dbraw/zinc/34/39/93/460343993.db2.gz HOEHFPXVZLJICH-UHFFFAOYSA-N 0 0 346.387 3.422 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCCO1 ZINC000599831793 460344099 /nfs/dbraw/zinc/34/40/99/460344099.db2.gz AEJFYBKGTIKESQ-CZUORRHYSA-N 0 0 344.371 3.222 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@]2(CC2(F)F)C1 ZINC000599833840 460344541 /nfs/dbraw/zinc/34/45/41/460344541.db2.gz BATGGRNGSOEDOU-OAHLLOKOSA-N 0 0 348.309 3.406 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)[C@@H](C)O1 ZINC000599833433 460344737 /nfs/dbraw/zinc/34/47/37/460344737.db2.gz RNMHOZCMWCEEES-IJLUTSLNSA-N 0 0 344.371 3.173 10 5 EGBERN CO[C@](C)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599836194 460345594 /nfs/dbraw/zinc/34/55/94/460345594.db2.gz POPYWJVBXBLYIB-QGZVFWFLSA-N 0 0 344.371 3.080 10 5 EGBERN COc1c(C(=O)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000619441081 460357245 /nfs/dbraw/zinc/35/72/45/460357245.db2.gz XIGSWOXZFQJTCJ-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611502043 460378700 /nfs/dbraw/zinc/37/87/00/460378700.db2.gz MGHMBIHFQJCARV-NRUUGDAUSA-N 0 0 343.786 3.255 10 5 EGBERN CC[C@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000600097716 460381859 /nfs/dbraw/zinc/38/18/59/460381859.db2.gz DRXAGRKXIFPIMP-KRWDZBQOSA-N 0 0 346.362 3.228 10 5 EGBERN Nc1cc(N2CCC[C@@H]2c2cccc(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000611525591 460386960 /nfs/dbraw/zinc/38/69/60/460386960.db2.gz NAOPCQXIJWSNEW-MRXNPFEDSA-N 0 0 331.347 3.150 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619588815 460391808 /nfs/dbraw/zinc/39/18/08/460391808.db2.gz CSRWFBDMXPHTEE-INIZCTEOSA-N 0 0 338.371 3.003 10 5 EGBERN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616879 460415058 /nfs/dbraw/zinc/41/50/58/460415058.db2.gz UOSVTWIFZJYIPA-GJZGRUSLSA-N 0 0 348.447 3.128 10 5 EGBERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616880 460415156 /nfs/dbraw/zinc/41/51/56/460415156.db2.gz UOSVTWIFZJYIPA-HUUCEWRRSA-N 0 0 348.447 3.128 10 5 EGBERN CCc1nc([C@H]2CCCCN2c2nc(C)cc(C)c2[N+](=O)[O-])no1 ZINC000611616867 460415308 /nfs/dbraw/zinc/41/53/08/460415308.db2.gz QWAAPRGWUPRJSW-GFCCVEGCSA-N 0 0 331.376 3.284 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000600167428 460417207 /nfs/dbraw/zinc/41/72/07/460417207.db2.gz FRVCPSPWROEIAU-FRRDWIJNSA-N 0 0 348.399 3.168 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600173010 460420860 /nfs/dbraw/zinc/42/08/60/460420860.db2.gz RCUNNBULCXEIKU-NSHDSACASA-N 0 0 334.397 3.356 10 5 EGBERN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)C1(F)F ZINC000600185321 460425689 /nfs/dbraw/zinc/42/56/89/460425689.db2.gz KSTAOFNAOPRQSI-IUCAKERBSA-N 0 0 348.296 3.165 10 5 EGBERN COc1ccc(-c2ccc(CN3CC4(C3)CCCO4)o2)c([N+](=O)[O-])c1 ZINC000600190681 460430130 /nfs/dbraw/zinc/43/01/30/460430130.db2.gz SNWFTNXPKKYQNQ-UHFFFAOYSA-N 0 0 344.367 3.228 10 5 EGBERN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])C1 ZINC000604542408 460443265 /nfs/dbraw/zinc/44/32/65/460443265.db2.gz SRYYAXQBLJBNRS-TXEJJXNPSA-N 0 0 344.371 3.317 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272273 460462000 /nfs/dbraw/zinc/46/20/00/460462000.db2.gz UPRPBSGSVCWDOU-KGLIPLIRSA-N 0 0 345.424 3.115 10 5 EGBERN O=C(CCC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1cccc([N+](=O)[O-])c1 ZINC000600271735 460462657 /nfs/dbraw/zinc/46/26/57/460462657.db2.gz OTDXTVGHYXVKDO-CABCVRRESA-N 0 0 348.424 3.054 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600279756 460463796 /nfs/dbraw/zinc/46/37/96/460463796.db2.gz UDVWGHNODADHCF-NEPJUHHUSA-N 0 0 338.454 3.427 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600366422 460483349 /nfs/dbraw/zinc/48/33/49/460483349.db2.gz UGFVQPRHUVFADD-FCEWJHQRSA-N 0 0 346.427 3.146 10 5 EGBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000600368648 460485996 /nfs/dbraw/zinc/48/59/96/460485996.db2.gz XURWAIAUCRVOOC-ZBFHGGJFSA-N 0 0 338.429 3.393 10 5 EGBERN CC1(C)C[C@H](SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CO1 ZINC000600567809 460526609 /nfs/dbraw/zinc/52/66/09/460526609.db2.gz BXBNOUKKMBHLLZ-LBPRGKRZSA-N 0 0 335.385 3.446 10 5 EGBERN CC(C)O[C@@]1(CSCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000600571276 460528743 /nfs/dbraw/zinc/52/87/43/460528743.db2.gz UGROTVNEMKXRBD-INIZCTEOSA-N 0 0 341.429 3.291 10 5 EGBERN O=C1[C@@H](SCc2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000600574768 460530604 /nfs/dbraw/zinc/53/06/04/460530604.db2.gz MPKDQMLUQLWEKM-HNNXBMFYSA-N 0 0 329.381 3.029 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1cccc2c1OCC2 ZINC000601173970 460741549 /nfs/dbraw/zinc/74/15/49/460741549.db2.gz NNKNBEFSKRKKRE-UHFFFAOYSA-N 0 0 329.234 3.074 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(Cc2ccsc2)C1 ZINC000601199565 460748821 /nfs/dbraw/zinc/74/88/21/460748821.db2.gz SZIUJQUTDSGSGA-UHFFFAOYSA-N 0 0 346.334 3.088 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(Oc3ccccc3F)CC2)c(F)c1 ZINC000601216777 460754558 /nfs/dbraw/zinc/75/45/58/460754558.db2.gz QARZFOLJEAVBMB-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC(C)(F)CC2)ccc1[N+](=O)[O-] ZINC000601246933 460764311 /nfs/dbraw/zinc/76/43/11/460764311.db2.gz UFCZFDUHYFZSCU-UHFFFAOYSA-N 0 0 330.743 3.363 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601249755 460764523 /nfs/dbraw/zinc/76/45/23/460764523.db2.gz GZNJBRPHGAXNQJ-VHSXEESVSA-N 0 0 348.325 3.107 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601249354 460764562 /nfs/dbraw/zinc/76/45/62/460764562.db2.gz BRKUVGJTNDPQPI-YPMHNXCESA-N 0 0 334.401 3.359 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601246337 460764640 /nfs/dbraw/zinc/76/46/40/460764640.db2.gz QMZJOGCRATUMTI-HUUCEWRRSA-N 0 0 337.351 3.203 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000601256967 460767640 /nfs/dbraw/zinc/76/76/40/460767640.db2.gz ZSEWMCBKNSCGLD-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN C[C@@H](Cc1ccncc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601280632 460774899 /nfs/dbraw/zinc/77/48/99/460774899.db2.gz HDAZUIRDFPYHNE-AWEZNQCLSA-N 0 0 339.395 3.159 10 5 EGBERN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccncc1 ZINC000601343226 460791223 /nfs/dbraw/zinc/79/12/23/460791223.db2.gz LGHAWECUGTYWQD-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000601353743 460793963 /nfs/dbraw/zinc/79/39/63/460793963.db2.gz RSZBBOCXMOCCEG-UONOGXRCSA-N 0 0 329.356 3.099 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)C2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000601365886 460795416 /nfs/dbraw/zinc/79/54/16/460795416.db2.gz YVCGYGVWMXFOFH-GFCCVEGCSA-N 0 0 326.418 3.072 10 5 EGBERN CO[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1(C)C ZINC000601613705 460846523 /nfs/dbraw/zinc/84/65/23/460846523.db2.gz SLUPLQODBVCDSX-INIZCTEOSA-N 0 0 346.427 3.290 10 5 EGBERN COC[C@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601623726 460850663 /nfs/dbraw/zinc/85/06/63/460850663.db2.gz YFCGUWOPRAOLQB-HNNXBMFYSA-N 0 0 346.427 3.292 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccco1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601636550 460854009 /nfs/dbraw/zinc/85/40/09/460854009.db2.gz IGEJSQVXIIQWBE-HUUCEWRRSA-N 0 0 326.352 3.282 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601655014 460857836 /nfs/dbraw/zinc/85/78/36/460857836.db2.gz DQXUYCKKVXVAAZ-KRWDZBQOSA-N 0 0 339.395 3.247 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])c1C ZINC000601701925 460876705 /nfs/dbraw/zinc/87/67/05/460876705.db2.gz OLRPZUVWXGBDAC-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN CCc1[nH]nc(C(=O)N(CC2CC2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000601703986 460876797 /nfs/dbraw/zinc/87/67/97/460876797.db2.gz YHXACIUPVCLYEG-UHFFFAOYSA-N 0 0 332.335 3.076 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601726116 460883755 /nfs/dbraw/zinc/88/37/55/460883755.db2.gz FUOIIBHDRXIRNB-QGZVFWFLSA-N 0 0 338.379 3.185 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2nccs2)CC1 ZINC000601744148 460887980 /nfs/dbraw/zinc/88/79/80/460887980.db2.gz WZDPCXLUNMEFRS-UHFFFAOYSA-N 0 0 331.397 3.146 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(Cc2nccs2)CC1 ZINC000601743410 460888109 /nfs/dbraw/zinc/88/81/09/460888109.db2.gz QXNTXTHSDYNLPJ-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN Cc1ccc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601856044 460927217 /nfs/dbraw/zinc/92/72/17/460927217.db2.gz FXWRPMYYOISORJ-INIZCTEOSA-N 0 0 332.400 3.372 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1O ZINC000601875863 460933583 /nfs/dbraw/zinc/93/35/83/460933583.db2.gz ADZBFZFJDSIQOH-KBPBESRZSA-N 0 0 338.429 3.130 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601878455 460933640 /nfs/dbraw/zinc/93/36/40/460933640.db2.gz YFDYPSOJQWXJAR-MHORFTMASA-N 0 0 344.411 3.162 10 5 EGBERN CNc1nccc(C(=O)N2CCC[C@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000601893759 469081325 /nfs/dbraw/zinc/08/13/25/469081325.db2.gz NIOBUXQDHLTUNQ-ZDUSSCGKSA-N 0 0 332.404 3.074 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCO[C@H](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000160299118 533895600 /nfs/dbraw/zinc/89/56/00/533895600.db2.gz OEAFBTQYODYFDF-WFASDCNBSA-N 0 0 334.372 3.059 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066713055 518180388 /nfs/dbraw/zinc/18/03/88/518180388.db2.gz RGGJOOWKOMAROO-RDTXWAMCSA-N 0 0 340.379 3.126 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174873534 534721433 /nfs/dbraw/zinc/72/14/33/534721433.db2.gz CMTRNIDPIODGAX-KBPBESRZSA-N 0 0 346.408 3.385 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000189705340 528064105 /nfs/dbraw/zinc/06/41/05/528064105.db2.gz VWLYTMHQUOBNQA-INIZCTEOSA-N 0 0 342.399 3.429 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000171425358 528942379 /nfs/dbraw/zinc/94/23/79/528942379.db2.gz SHAHXGBQJKMHDJ-CZUORRHYSA-N 0 0 335.404 3.082 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCO ZINC000351786300 535342605 /nfs/dbraw/zinc/34/26/05/535342605.db2.gz SOIYFVCYPDBCMT-UHFFFAOYSA-N 0 0 340.445 3.332 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1(F)CCC1 ZINC000351812866 535429618 /nfs/dbraw/zinc/42/96/18/535429618.db2.gz UBWDFQAYSBZXOH-UHFFFAOYSA-N 0 0 325.340 3.397 10 5 EGBERN CCc1nc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cs1 ZINC000103374892 536130207 /nfs/dbraw/zinc/13/02/07/536130207.db2.gz PDMXZZVBKJGEJP-SNVBAGLBSA-N 0 0 331.397 3.134 10 5 EGBERN O=C(Nc1ccc[nH]c1=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683618364 550249282 /nfs/dbraw/zinc/24/92/82/550249282.db2.gz ZBCXAOIDXBCQER-UHFFFAOYSA-N 0 0 331.331 3.034 10 5 EGBERN CC(C)Oc1ccc(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000726431498 574552788 /nfs/dbraw/zinc/55/27/88/574552788.db2.gz JHWSFNBJPFJHGU-UHFFFAOYSA-N 0 0 328.324 3.338 10 5 EGBERN COc1ccc(CC(=O)OCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000727954646 574706218 /nfs/dbraw/zinc/70/62/18/574706218.db2.gz CJUUIIYEIRFDMQ-UHFFFAOYSA-N 0 0 337.372 3.038 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728503213 574755334 /nfs/dbraw/zinc/75/53/34/574755334.db2.gz RYFJBVXDDXVLAJ-JKSUJKDBSA-N 0 0 344.415 3.276 10 5 EGBERN Cc1sc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728991547 574792064 /nfs/dbraw/zinc/79/20/64/574792064.db2.gz IHDACCRIDLSWPZ-UHFFFAOYSA-N 0 0 340.288 3.369 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000728991920 574792084 /nfs/dbraw/zinc/79/20/84/574792084.db2.gz YGUJPUISGDCPIU-UHFFFAOYSA-N 0 0 348.286 3.269 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2scnc2C)c([N+](=O)[O-])c1 ZINC000729183732 574821670 /nfs/dbraw/zinc/82/16/70/574821670.db2.gz QLJJXGCGLCCABX-XQRVVYSFSA-N 0 0 333.369 3.158 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000730192236 574940120 /nfs/dbraw/zinc/94/01/20/574940120.db2.gz KJUGVVYOAAABNR-OAHLLOKOSA-N 0 0 349.431 3.082 10 5 EGBERN CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000730814092 575023476 /nfs/dbraw/zinc/02/34/76/575023476.db2.gz BQECZBFVBZIUIL-AWEZNQCLSA-N 0 0 340.426 3.260 10 5 EGBERN CC[C@@H](CCOC)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000754582143 575061121 /nfs/dbraw/zinc/06/11/21/575061121.db2.gz GZJBAVZXZQMFOK-AAEUAGOBSA-N 0 0 327.402 3.434 10 5 EGBERN Cc1cnc(CCN(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000754696118 575195038 /nfs/dbraw/zinc/19/50/38/575195038.db2.gz 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EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(CCF)CC1 ZINC000870273249 1295780048 /nfs/dbraw/zinc/78/00/48/1295780048.db2.gz MZZPXGKTKOXDIU-UHFFFAOYSA-N 0 0 349.406 3.407 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CSc1ccncc1 ZINC000870699945 1296028726 /nfs/dbraw/zinc/02/87/26/1296028726.db2.gz OAVAQNWQSWWNDI-UHFFFAOYSA-N 0 0 332.381 3.442 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000870727520 1296046118 /nfs/dbraw/zinc/04/61/18/1296046118.db2.gz JATBRBDYXRPLHK-MWLCHTKSSA-N 0 0 346.305 3.253 10 5 EGBERN C[C@H](C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000870822841 1296101270 /nfs/dbraw/zinc/10/12/70/1296101270.db2.gz GWTJPGUKLLVKTB-XDTLVQLUSA-N 0 0 347.289 3.351 10 5 EGBERN CSCc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870826577 1296104554 /nfs/dbraw/zinc/10/45/54/1296104554.db2.gz GJPYUGZIUDYWTQ-UHFFFAOYSA-N 0 0 347.396 3.215 10 5 EGBERN C[C@@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870829541 1296106421 /nfs/dbraw/zinc/10/64/21/1296106421.db2.gz MIUIOUDMYDKTAK-WJFWJRBTSA-N 0 0 347.346 3.371 10 5 EGBERN Cc1cc(Cl)cc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870829582 1296107905 /nfs/dbraw/zinc/10/79/05/1296107905.db2.gz NJOIHJORVBFKLE-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN C/C(=C/c1ccc(F)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830028 1296108181 /nfs/dbraw/zinc/10/81/81/1296108181.db2.gz UBMACYCADXEBLG-WDZFZDKYSA-N 0 0 345.330 3.281 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000871041366 1296193090 /nfs/dbraw/zinc/19/30/90/1296193090.db2.gz ZGKASCGTYKUERS-JEZWAEDTSA-N 0 0 344.411 3.464 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000871097568 1296222111 /nfs/dbraw/zinc/22/21/11/1296222111.db2.gz VIMVDHNMTQKXMA-XWEPSHTISA-N 0 0 334.319 3.237 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000871123493 1296235203 /nfs/dbraw/zinc/23/52/03/1296235203.db2.gz 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O=C(NC[C@@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000871570748 1296433371 /nfs/dbraw/zinc/43/33/71/1296433371.db2.gz AWQGWDWDAYFISL-NSHDSACASA-N 0 0 338.791 3.185 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000871579807 1296439061 /nfs/dbraw/zinc/43/90/61/1296439061.db2.gz MLRICDRLYSTCBO-GFCCVEGCSA-N 0 0 338.791 3.185 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@H]2C[C@@H](OC)C2)c1 ZINC000871713403 1296496271 /nfs/dbraw/zinc/49/62/71/1296496271.db2.gz WSLPEPGAVOOMDB-GSJFWJNXSA-N 0 0 325.386 3.040 10 5 EGBERN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048786 1296698655 /nfs/dbraw/zinc/69/86/55/1296698655.db2.gz MHKHFDZASYTJQT-BGJPBQGDSA-N 0 0 336.388 3.322 10 5 EGBERN C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000872091210 1296729113 /nfs/dbraw/zinc/72/91/13/1296729113.db2.gz GYFKJPIVDTXCKM-RYUDHWBXSA-N 0 0 326.368 3.174 10 5 EGBERN COc1ccc(C(=O)O[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000873571698 1297595759 /nfs/dbraw/zinc/59/57/59/1297595759.db2.gz GBZVIBRZIBVEIW-SWLSCSKDSA-N 0 0 337.372 3.354 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000875745794 1298460323 /nfs/dbraw/zinc/46/03/23/1298460323.db2.gz XBDBQKJIPFJTHK-QWHCGFSZSA-N 0 0 334.372 3.075 10 5 EGBERN COc1cnc(F)c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000876022569 1298556704 /nfs/dbraw/zinc/55/67/04/1298556704.db2.gz PVBTZPBDXORCDE-UHFFFAOYSA-N 0 0 333.319 3.315 10 5 EGBERN C/C(=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000881864333 1301745008 /nfs/dbraw/zinc/74/50/08/1301745008.db2.gz OVDBZVUSECSSER-RMKNXTFCSA-N 0 0 339.189 3.330 10 5 EGBERN C[C@@H]1c2sccc2CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882180689 1301864332 /nfs/dbraw/zinc/86/43/32/1301864332.db2.gz ONOVOIKCTFDNDL-SNVBAGLBSA-N 0 0 334.372 3.484 10 5 EGBERN C[C@H]1c2sccc2CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882180688 1301864791 /nfs/dbraw/zinc/86/47/91/1301864791.db2.gz ONOVOIKCTFDNDL-JTQLQIEISA-N 0 0 334.372 3.484 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000882386899 1301941504 /nfs/dbraw/zinc/94/15/04/1301941504.db2.gz QXBZTPAWVGNRQR-GFCCVEGCSA-N 0 0 334.763 3.099 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H]1CCCOC1 ZINC000882463506 1301981810 /nfs/dbraw/zinc/98/18/10/1301981810.db2.gz JZGKZPLCGMWARH-FZMZJTMJSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H]1CCCOC1 ZINC000882463508 1301981830 /nfs/dbraw/zinc/98/18/30/1301981830.db2.gz JZGKZPLCGMWARH-RISCZKNCSA-N 0 0 340.807 3.492 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)O1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000882551848 1302016984 /nfs/dbraw/zinc/01/69/84/1302016984.db2.gz ARNSBXUEDWXNPU-MRXNPFEDSA-N 0 0 344.411 3.234 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000882596671 1302031266 /nfs/dbraw/zinc/03/12/66/1302031266.db2.gz SMBTVUHQGNPQBS-BSKSSJJLSA-N 0 0 330.384 3.216 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000882621347 1302035889 /nfs/dbraw/zinc/03/58/89/1302035889.db2.gz GAQPVVOZMDUEPD-WDYCEAGBSA-N 0 0 346.427 3.381 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@]1(C)C1CC1 ZINC000890588207 1304826193 /nfs/dbraw/zinc/82/61/93/1304826193.db2.gz MIPJIKCPNTXQHO-IYPOZPNPSA-N 0 0 330.384 3.026 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2SCCS2)c1C ZINC000893041970 1305676904 /nfs/dbraw/zinc/67/69/04/1305676904.db2.gz QUECUPYUJQJJAT-UHFFFAOYSA-N 0 0 326.443 3.138 10 5 EGBERN Cn1c(Cl)ncc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893129869 1305723882 /nfs/dbraw/zinc/72/38/82/1305723882.db2.gz FYKFFZXBYUISBI-UHFFFAOYSA-N 0 0 349.774 3.147 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCC1(F)F ZINC000893403774 1305875111 /nfs/dbraw/zinc/87/51/11/1305875111.db2.gz TYHXWAAKBPIPTM-LLVKDONJSA-N 0 0 341.358 3.216 10 5 EGBERN COc1cc(C(=O)OC[C@@H](C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000893512643 1305942735 /nfs/dbraw/zinc/94/27/35/1305942735.db2.gz LUWTVSHOENOFOE-YGRLFVJLSA-N 0 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Cc1cc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000894674135 1309017794 /nfs/dbraw/zinc/01/77/94/1309017794.db2.gz VIKURSVDILUJTF-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894704149 1309029129 /nfs/dbraw/zinc/02/91/29/1309029129.db2.gz NCYWJGQJGGFOEN-JLNOUXKISA-N 0 0 330.384 3.026 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894704747 1309029523 /nfs/dbraw/zinc/02/95/23/1309029523.db2.gz PREDXASICNBULQ-BXUZGUMPSA-N 0 0 338.791 3.198 10 5 EGBERN CC(=O)c1ccc(N[C@H]2C[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000896696453 1309977297 /nfs/dbraw/zinc/97/72/97/1309977297.db2.gz JPYLYZJOCYIXTP-UWUNEBHHSA-N 0 0 340.379 3.302 10 5 EGBERN CCOC[C@H](C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897453391 1310341165 /nfs/dbraw/zinc/34/11/65/1310341165.db2.gz KOALNAOVKCAWSS-LURJTMIESA-N 0 0 339.150 3.196 10 5 EGBERN Cc1cc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(Cl)n1 ZINC000898075960 1310580516 /nfs/dbraw/zinc/58/05/16/1310580516.db2.gz KPHQSTULLZSRPP-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000917709737 1319864775 /nfs/dbraw/zinc/86/47/75/1319864775.db2.gz IGHGASSAQNSTAB-RCOVLWMOSA-N 0 0 326.658 3.132 10 5 EGBERN Cc1ccc(COC(=O)c2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000857623793 1328567593 /nfs/dbraw/zinc/56/75/93/1328567593.db2.gz DASSCDIFBMQKLD-UHFFFAOYSA-N 0 0 329.356 3.261 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857670177 1328580444 /nfs/dbraw/zinc/58/04/44/1328580444.db2.gz XTSBVIQOUAGNIM-JTQLQIEISA-N 0 0 340.326 3.047 10 5 EGBERN O=C(c1cnn2c1CCCC2)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000857665998 1328579604 /nfs/dbraw/zinc/57/96/04/1328579604.db2.gz BTCYQWWGGQVSAP-UHFFFAOYSA-N 0 0 340.383 3.111 10 5 EGBERN CCOc1cncc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000857666072 1328579947 /nfs/dbraw/zinc/57/99/47/1328579947.db2.gz LROZCTPIAFQWQN-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc(F)ccc21 ZINC000857896194 1328618179 /nfs/dbraw/zinc/61/81/79/1328618179.db2.gz KSNPMNOFKVVYHN-UHFFFAOYSA-N 0 0 347.371 3.444 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCc2cccnc21 ZINC000857970389 1328644672 /nfs/dbraw/zinc/64/46/72/1328644672.db2.gz PZSZRMPOKVGBQJ-DVFVSVACSA-N 0 0 337.379 3.239 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](Oc3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000858009315 1328655574 /nfs/dbraw/zinc/65/55/74/1328655574.db2.gz SQMFSMYSQFKLFY-HNNXBMFYSA-N 0 0 341.367 3.159 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000899461400 1317045551 /nfs/dbraw/zinc/04/55/51/1317045551.db2.gz QDTPOPZTSCPVSU-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000899528777 1317073716 /nfs/dbraw/zinc/07/37/16/1317073716.db2.gz UXONHXRJKYDDSF-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN CCCc1nc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)co1 ZINC000913385253 1319020048 /nfs/dbraw/zinc/02/00/48/1319020048.db2.gz UWUFDIGLGIOWGJ-UHFFFAOYSA-N 0 0 341.726 3.258 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000913384945 1319020414 /nfs/dbraw/zinc/02/04/14/1319020414.db2.gz KGHDMPJRYKSNFT-UHFFFAOYSA-N 0 0 326.755 3.440 10 5 EGBERN CCC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000913385357 1319020464 /nfs/dbraw/zinc/02/04/64/1319020464.db2.gz YOLYQPGLDFHFBB-UHFFFAOYSA-N 0 0 344.770 3.210 10 5 EGBERN O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913799152 1319129312 /nfs/dbraw/zinc/12/93/12/1319129312.db2.gz YEDAXZDAZQNNLS-DVYJOKAKSA-N 0 0 342.754 3.075 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CCCOC2)cc1Cl ZINC000858653358 1328818998 /nfs/dbraw/zinc/81/89/98/1328818998.db2.gz VGYFNQKGVAXALT-SNVBAGLBSA-N 0 0 342.779 3.263 10 5 EGBERN O=[N+]([O-])c1ncccc1OS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000916094120 1319600004 /nfs/dbraw/zinc/60/00/04/1319600004.db2.gz JNXPNWUOZIIBIB-CLFYSBASSA-N 0 0 340.744 3.023 10 5 EGBERN O=C(O[C@H]1CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917521329 1319826265 /nfs/dbraw/zinc/82/62/65/1319826265.db2.gz FURZPYUOUKEJPT-AWEZNQCLSA-N 0 0 327.292 3.168 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)c(F)c1F ZINC000917796389 1319872878 /nfs/dbraw/zinc/87/28/78/1319872878.db2.gz SVJFCXARVCSPJK-MUWHJKNJSA-N 0 0 327.205 3.362 10 5 EGBERN CC(C)(CCc1noc(Cc2cccc3cnccc32)n1)[N+](=O)[O-] ZINC000858774355 1328857355 /nfs/dbraw/zinc/85/73/55/1328857355.db2.gz ZUWUNHPHJLGJBK-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000858775868 1328857447 /nfs/dbraw/zinc/85/74/47/1328857447.db2.gz IFYORGBFTZOUKT-IZIVYERZSA-N 0 0 334.372 3.005 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC(Cc4cccs4)C3)cc2N1 ZINC000858830409 1328869669 /nfs/dbraw/zinc/86/96/69/1328869669.db2.gz JFXSMWIMPIKATG-UHFFFAOYSA-N 0 0 343.408 3.220 10 5 EGBERN COC[C@]1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000858865495 1328880079 /nfs/dbraw/zinc/88/00/79/1328880079.db2.gz IVHSLQLCDCCWJQ-ZDUSSCGKSA-N 0 0 335.187 3.143 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000930732601 1328953234 /nfs/dbraw/zinc/95/32/34/1328953234.db2.gz OKJZEANBAUYAOX-BBRMVZONSA-N 0 0 333.388 3.230 10 5 EGBERN C[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000930748740 1328956410 /nfs/dbraw/zinc/95/64/10/1328956410.db2.gz ZPHKNVRVIRZPTC-NSHDSACASA-N 0 0 340.807 3.207 10 5 EGBERN CC(C)(C)[S@](=O)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859335753 1328971591 /nfs/dbraw/zinc/97/15/91/1328971591.db2.gz AUIYGGPVEDKTSI-XMMPIXPASA-N 0 0 348.424 3.025 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1 ZINC000859382761 1328980315 /nfs/dbraw/zinc/98/03/15/1328980315.db2.gz PNOROXZNEGFFJX-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000919033077 1322022395 /nfs/dbraw/zinc/02/23/95/1322022395.db2.gz SULUZLCUBZYXQR-KBPBESRZSA-N 0 0 348.399 3.024 10 5 EGBERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000919614124 1322086259 /nfs/dbraw/zinc/08/62/59/1322086259.db2.gz KJLIUCAYSLVEQX-UKRRQHHQSA-N 0 0 348.399 3.238 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000919964434 1322123287 /nfs/dbraw/zinc/12/32/87/1322123287.db2.gz CWJWGDQTDFBZHS-UHFFFAOYSA-N 0 0 328.368 3.217 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)cc1 ZINC000921004133 1322243338 /nfs/dbraw/zinc/24/33/38/1322243338.db2.gz QNTNUMGDZPQLFJ-UHFFFAOYSA-N 0 0 344.367 3.344 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC[C@H]1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335661 1322294463 /nfs/dbraw/zinc/29/44/63/1322294463.db2.gz PVTUTFKPJYWWBV-IAGOWNOFSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1c(CNC(=O)NCC[C@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922167525 1322470466 /nfs/dbraw/zinc/47/04/66/1322470466.db2.gz CKLLEIVYILMTLN-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCC3(CCC3)O2)c1F ZINC000922219130 1322480366 /nfs/dbraw/zinc/48/03/66/1322480366.db2.gz IDGFIGPMTXWATD-JTQLQIEISA-N 0 0 340.326 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922396178 1322519652 /nfs/dbraw/zinc/51/96/52/1322519652.db2.gz WCDKSNUQMSWXHL-JQWIXIFHSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(C(F)(F)F)nn1C ZINC000922403264 1322520944 /nfs/dbraw/zinc/52/09/44/1322520944.db2.gz JAYVOJLWGPELSB-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN CCc1onc(C)c1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000922514741 1322546372 /nfs/dbraw/zinc/54/63/72/1322546372.db2.gz GMLXZBCPPOKSMR-UHFFFAOYSA-N 0 0 326.255 3.089 10 5 EGBERN O=C(OCc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCCN2 ZINC000923016412 1322675418 /nfs/dbraw/zinc/67/54/18/1322675418.db2.gz XEGXCEMJWOGZIK-UHFFFAOYSA-N 0 0 327.340 3.095 10 5 EGBERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859649064 1329045413 /nfs/dbraw/zinc/04/54/13/1329045413.db2.gz FVIQTDUYDQRQBT-TZMCWYRMSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1CCCOC1 ZINC000923595885 1322779423 /nfs/dbraw/zinc/77/94/23/1322779423.db2.gz XITWOXAMENPWCK-LLVKDONJSA-N 0 0 327.764 3.151 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCc1cncs1 ZINC000923599057 1322779526 /nfs/dbraw/zinc/77/95/26/1322779526.db2.gz QMPBWKSTBWAUCI-UHFFFAOYSA-N 0 0 340.788 3.423 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCc1ccccc1[N+](=O)[O-] ZINC000923721768 1322797142 /nfs/dbraw/zinc/79/71/42/1322797142.db2.gz MPYGWFMHIREGKM-JQWIXIFHSA-N 0 0 333.262 3.138 10 5 EGBERN CCOc1cc(COC(=O)c2ccnn2C2CCC2)ccc1[N+](=O)[O-] ZINC000923875406 1322831869 /nfs/dbraw/zinc/83/18/69/1322831869.db2.gz FJKFQXGCCDGAAT-UHFFFAOYSA-N 0 0 345.355 3.272 10 5 EGBERN CCc1noc(C)c1COC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923960927 1322856188 /nfs/dbraw/zinc/85/61/88/1322856188.db2.gz BSRSJOLXNOKKIX-UHFFFAOYSA-N 0 0 336.319 3.269 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCc1ccns1 ZINC000923962013 1322856834 /nfs/dbraw/zinc/85/68/34/1322856834.db2.gz MMXIRLYLTZNWMT-UHFFFAOYSA-N 0 0 340.788 3.423 10 5 EGBERN COCC1(c2noc(CCc3c(Cl)cccc3[N+](=O)[O-])n2)CC1 ZINC000924170641 1322921921 /nfs/dbraw/zinc/92/19/21/1322921921.db2.gz SKTINAFQRDJQRH-UHFFFAOYSA-N 0 0 337.763 3.094 10 5 EGBERN O=C(C[C@H]1CC[C@H](C2CC2)O1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000924353040 1322993344 /nfs/dbraw/zinc/99/33/44/1322993344.db2.gz OEQBHSCIAAUHFG-IAQYHMDHSA-N 0 0 341.310 3.264 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000924371849 1323000353 /nfs/dbraw/zinc/00/03/53/1323000353.db2.gz DFFYGQRPYPRNIS-ZSOGYDGISA-N 0 0 346.383 3.211 10 5 EGBERN CCCCC1(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000924427958 1323020997 /nfs/dbraw/zinc/02/09/97/1323020997.db2.gz NGODMECUJVHUQE-UHFFFAOYSA-N 0 0 334.372 3.355 10 5 EGBERN Cc1ccc(NC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000924494340 1323037611 /nfs/dbraw/zinc/03/76/11/1323037611.db2.gz MQCYDKHKJDVATM-PWSUYJOCSA-N 0 0 347.293 3.135 10 5 EGBERN CC(C)=CC[C@H]1NC(=O)N([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000924795055 1323165488 /nfs/dbraw/zinc/16/54/88/1323165488.db2.gz UZWSIPYAZUETSX-TZMCWYRMSA-N 0 0 331.372 3.241 10 5 EGBERN COC(=O)/C=C\c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000931297822 1329088364 /nfs/dbraw/zinc/08/83/64/1329088364.db2.gz CBWZMJCSLNAONR-XQRVVYSFSA-N 0 0 337.382 3.092 10 5 EGBERN COC1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859917466 1329110667 /nfs/dbraw/zinc/11/06/67/1329110667.db2.gz FNVQTELPZUDJIY-UHFFFAOYSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000859927800 1329111825 /nfs/dbraw/zinc/11/18/25/1329111825.db2.gz UCFIFEYZGMRBCZ-SECBINFHSA-N 0 0 325.271 3.033 10 5 EGBERN CC[C@@H](NC(=O)c1[nH]c(C)c(C=O)c1C)c1cccc([N+](=O)[O-])c1 ZINC000859908032 1329108947 /nfs/dbraw/zinc/10/89/47/1329108947.db2.gz BRAGNRSZJOQYRR-OAHLLOKOSA-N 0 0 329.356 3.233 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2c(Br)cccc2[N+](=O)[O-])CO1 ZINC000859999105 1329125550 /nfs/dbraw/zinc/12/55/50/1329125550.db2.gz IYUYIBGVOJZWRS-QMMMGPOBSA-N 0 0 344.161 3.082 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000931496668 1329131098 /nfs/dbraw/zinc/13/10/98/1329131098.db2.gz WYKXSHYHLMRSBE-GDBMZVCRSA-N 0 0 333.388 3.236 10 5 EGBERN COc1ccc(COC(=O)[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000860070603 1329140641 /nfs/dbraw/zinc/14/06/41/1329140641.db2.gz VGNQGPRVYUJZAM-GFCCVEGCSA-N 0 0 337.372 3.240 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCc2ccc(F)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000860072578 1329140977 /nfs/dbraw/zinc/14/09/77/1329140977.db2.gz RRFRNMANYUBUAN-LBPRGKRZSA-N 0 0 325.336 3.371 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000931612096 1329153274 /nfs/dbraw/zinc/15/32/74/1329153274.db2.gz WWMIYKPOKLOXNS-JTQLQIEISA-N 0 0 339.367 3.449 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925246619 1325094854 /nfs/dbraw/zinc/09/48/54/1325094854.db2.gz MKJASYILXVGNHS-CYBMUJFWSA-N 0 0 347.415 3.114 10 5 EGBERN C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000860324757 1329305153 /nfs/dbraw/zinc/30/51/53/1329305153.db2.gz MTJBTDJYRDSDSM-SSDOTTSWSA-N 0 0 336.222 3.135 10 5 EGBERN CCOC(=O)C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860470227 1329321384 /nfs/dbraw/zinc/32/13/84/1329321384.db2.gz XWYBAUQOFQTVTA-GFCCVEGCSA-N 0 0 344.367 3.067 10 5 EGBERN Cc1cc(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000861066384 1329384643 /nfs/dbraw/zinc/38/46/43/1329384643.db2.gz SLRKMLXLXRKXFH-GFCCVEGCSA-N 0 0 347.396 3.226 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000927293264 1327960184 /nfs/dbraw/zinc/96/01/84/1327960184.db2.gz RKEHVINHSGPTAM-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC000928074976 1328189235 /nfs/dbraw/zinc/18/92/35/1328189235.db2.gz VLEHFAGCRVMDNQ-QMTHXVAHSA-N 0 0 336.344 3.166 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000928186640 1328225317 /nfs/dbraw/zinc/22/53/17/1328225317.db2.gz MLWVIOCADMKRGW-LLVKDONJSA-N 0 0 348.790 3.002 10 5 EGBERN C[C@@H](NC(=O)c1cn(C)nc1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246309 1328253781 /nfs/dbraw/zinc/25/37/81/1328253781.db2.gz AEMKDXJVJVXVNV-GFCCVEGCSA-N 0 0 342.399 3.477 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928274143 1328270604 /nfs/dbraw/zinc/27/06/04/1328270604.db2.gz UAZSAXCYQCOFDW-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN CCCCCCN(Cc1ccc(C)o1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000928486577 1328339852 /nfs/dbraw/zinc/33/98/52/1328339852.db2.gz UNWDSDMPFLZCOE-UHFFFAOYSA-N 0 0 348.403 3.452 10 5 EGBERN CSC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000861355466 1329411838 /nfs/dbraw/zinc/41/18/38/1329411838.db2.gz PUWCJVHOSNFFJM-UHFFFAOYSA-N 0 0 334.401 3.406 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ncccn1)C1CC1 ZINC000928581219 1328361509 /nfs/dbraw/zinc/36/15/09/1328361509.db2.gz LUQVDRQGGOICGL-YUQCYMQKSA-N 0 0 338.367 3.056 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000861446376 1329418820 /nfs/dbraw/zinc/41/88/20/1329418820.db2.gz UHWKVRJJHNWUNW-IUCAKERBSA-N 0 0 325.189 3.397 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000861814685 1329442957 /nfs/dbraw/zinc/44/29/57/1329442957.db2.gz TYLPTUJHGLGXRO-HZMBPMFUSA-N 0 0 341.205 3.120 10 5 EGBERN O=C(NCCC1(CO)CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862133491 1329460961 /nfs/dbraw/zinc/46/09/61/1329460961.db2.gz AVOYUIQGNJHWDJ-UHFFFAOYSA-N 0 0 328.368 3.031 10 5 EGBERN COc1ccc([C@H]2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1F ZINC000863337437 1329548168 /nfs/dbraw/zinc/54/81/68/1329548168.db2.gz ZPIFIAYZBMQCKX-AWEZNQCLSA-N 0 0 348.378 3.003 10 5 EGBERN CC(C)(CCC(=O)NCc1ccccc1CC(F)(F)F)[N+](=O)[O-] ZINC000863770098 1329580004 /nfs/dbraw/zinc/58/00/04/1329580004.db2.gz OUQZJBDDNNJISB-UHFFFAOYSA-N 0 0 332.322 3.243 10 5 EGBERN CCC(CC)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864432851 1329614085 /nfs/dbraw/zinc/61/40/85/1329614085.db2.gz CXUCVRHAAPRTOF-UHFFFAOYSA-N 0 0 329.194 3.205 10 5 EGBERN CN(CC(C)(C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865121368 1329670845 /nfs/dbraw/zinc/67/08/45/1329670845.db2.gz WJTYEBBIYWVWGX-UHFFFAOYSA-N 0 0 343.221 3.404 10 5 EGBERN C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865181267 1329675455 /nfs/dbraw/zinc/67/54/55/1329675455.db2.gz UDYCMZXPLBIGES-BXKDBHETSA-N 0 0 341.205 3.205 10 5 EGBERN Cc1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)nc1Cl ZINC000865369856 1329689399 /nfs/dbraw/zinc/68/93/99/1329689399.db2.gz JACYUTOIGMGZFP-UHFFFAOYSA-N 0 0 333.775 3.040 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865851642 1329745718 /nfs/dbraw/zinc/74/57/18/1329745718.db2.gz OIOFQNCONXXWLO-BZNIZROVSA-N 0 0 326.368 3.089 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccnc(Cl)c1 ZINC000865880383 1329748350 /nfs/dbraw/zinc/74/83/50/1329748350.db2.gz UTDJLPOLBKPPRA-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ncccn3)C2)c(C(F)F)c1 ZINC000865899102 1329750125 /nfs/dbraw/zinc/75/01/25/1329750125.db2.gz SZTXWYHFBQGMED-JTQLQIEISA-N 0 0 335.314 3.013 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[S@@](=O)CC(F)(F)F)c(C(F)F)c1 ZINC000865931403 1329752634 /nfs/dbraw/zinc/75/26/34/1329752634.db2.gz DRZPZCNDQIPYQP-JOCHJYFZSA-N 0 0 346.277 3.255 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1O ZINC000865999913 1329757797 /nfs/dbraw/zinc/75/77/97/1329757797.db2.gz JUUHWRJHOZZKQN-GDLCADMTSA-N 0 0 333.413 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C2(C)OCCO2)cc1 ZINC000866008552 1329758857 /nfs/dbraw/zinc/75/88/57/1329758857.db2.gz FSCAPWHMQSAINF-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Cc3nccs3)CC2)c2nonc21 ZINC000866024094 1329759858 /nfs/dbraw/zinc/75/98/58/1329759858.db2.gz ZRKRQKVGEDYFQW-UHFFFAOYSA-N 0 0 345.384 3.047 10 5 EGBERN CNC(=O)c1ccc(NC2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000866049208 1330059520 /nfs/dbraw/zinc/05/95/20/1330059520.db2.gz LVYGNJPWHWMSHU-UHFFFAOYSA-N 0 0 349.431 3.493 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000866051987 1330059731 /nfs/dbraw/zinc/05/97/31/1330059731.db2.gz JMRLRZCWCRILTQ-RDJZCZTQSA-N 0 0 327.384 3.309 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866083155 1330063875 /nfs/dbraw/zinc/06/38/75/1330063875.db2.gz LLZPEJGLQNIFOR-GXSJLCMTSA-N 0 0 327.768 3.279 10 5 EGBERN COc1cc(N[C@H](C2CCC2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000866142144 1330069824 /nfs/dbraw/zinc/06/98/24/1330069824.db2.gz REDMRENNYJRJRC-SJKOYZFVSA-N 0 0 336.388 3.229 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000866158728 1330071937 /nfs/dbraw/zinc/07/19/37/1330071937.db2.gz QJOYDCJMESFEQG-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CSC[C@@H]3C2)c(OC(F)F)c1 ZINC000866201235 1330077745 /nfs/dbraw/zinc/07/77/45/1330077745.db2.gz LQGXANVHTJDOPK-UWVGGRQHSA-N 0 0 330.356 3.386 10 5 EGBERN COc1ccc([C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCO2)cc1 ZINC000866233171 1330081634 /nfs/dbraw/zinc/08/16/34/1330081634.db2.gz DEHIKDLSQCIHON-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN COc1ccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)cc1 ZINC000866235914 1330082606 /nfs/dbraw/zinc/08/26/06/1330082606.db2.gz OZEOEFQMWFVDCO-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000867064340 1330170250 /nfs/dbraw/zinc/17/02/50/1330170250.db2.gz KCMUXXQWSOXOEQ-UHFFFAOYSA-N 0 0 330.306 3.170 10 5 EGBERN Cc1cnc(F)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000867107826 1330175756 /nfs/dbraw/zinc/17/57/56/1330175756.db2.gz TXKHCCXUYRBVGB-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN Cc1cncc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000868075817 1330246647 /nfs/dbraw/zinc/24/66/47/1330246647.db2.gz RCIXLEJWWNNISS-KRWDZBQOSA-N 0 0 340.383 3.345 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000868120931 1330251838 /nfs/dbraw/zinc/25/18/38/1330251838.db2.gz ATKZIJVHIWPUMM-YLQAJVPDSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000868340264 1330272420 /nfs/dbraw/zinc/27/24/20/1330272420.db2.gz CSRISJQIFRKDQY-OLZOCXBDSA-N 0 0 337.445 3.407 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000868392136 1330276138 /nfs/dbraw/zinc/27/61/38/1330276138.db2.gz SVSWQGNKOCSSSH-LBPRGKRZSA-N 0 0 343.836 3.333 10 5 EGBERN Cc1ccc(CNC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000868586320 1330297304 /nfs/dbraw/zinc/29/73/04/1330297304.db2.gz MDAQDBHDXPMQKN-ZIAGYGMSSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1cn2cc(CC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000868607944 1330299228 /nfs/dbraw/zinc/29/92/28/1330299228.db2.gz FRUZLWATNCWSDS-NSHDSACASA-N 0 0 344.396 3.032 10 5 EGBERN COCC(C)(C)CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868612013 1330299821 /nfs/dbraw/zinc/29/98/21/1330299821.db2.gz RFMUHQVFCMYCGB-UHFFFAOYSA-N 0 0 337.420 3.155 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868682479 1330314700 /nfs/dbraw/zinc/31/47/00/1330314700.db2.gz DBTHCNZOJALMCI-ONGXEEELSA-N 0 0 348.296 3.466 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000869053673 1330403253 /nfs/dbraw/zinc/40/32/53/1330403253.db2.gz QQTRLTVAXHGVGQ-UHFFFAOYSA-N 0 0 349.431 3.392 10 5 EGBERN Cc1ccc(CNC(=O)N(C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000869053413 1330403613 /nfs/dbraw/zinc/40/36/13/1330403613.db2.gz MKGCFLOEFJBBEX-LBPRGKRZSA-N 0 0 348.428 3.305 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869054318 1330403877 /nfs/dbraw/zinc/40/38/77/1330403877.db2.gz JLERLUZGOFZQHI-GDBMZVCRSA-N 0 0 335.404 3.050 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C(C)(F)F ZINC000869065991 1330407167 /nfs/dbraw/zinc/40/71/67/1330407167.db2.gz FSSQFFHQHFJFMV-UHFFFAOYSA-N 0 0 329.347 3.418 10 5 EGBERN Cc1ccc(C)c(C(=O)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000869574878 1330526173 /nfs/dbraw/zinc/52/61/73/1330526173.db2.gz WYEISKJOULPODI-AWEZNQCLSA-N 0 0 340.379 3.314 10 5 EGBERN O=C(NCC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000869612838 1330533293 /nfs/dbraw/zinc/53/32/93/1330533293.db2.gz UDDGQWHDIOWMPM-ZDUSSCGKSA-N 0 0 349.456 3.068 10 5 EGBERN Cc1ccc(Br)c(OC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC001129929753 1373436910 /nfs/dbraw/zinc/43/69/10/1373436910.db2.gz LHOZPQGAXHWADO-UHFFFAOYSA-N 0 0 339.145 3.223 10 5 EGBERN Cc1cccc(F)c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001323705399 1387424875 /nfs/dbraw/zinc/42/48/75/1387424875.db2.gz AOUSCPUMLYTUSE-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN CNC(=O)c1ccc(SC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001184945607 1387569109 /nfs/dbraw/zinc/56/91/09/1387569109.db2.gz BONUWRTYMQCEHI-MRVPVSSYSA-N 0 0 335.212 3.240 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Nc3cnn(Cc4ccccc4)c3)nc2c1 ZINC001184957554 1387573631 /nfs/dbraw/zinc/57/36/31/1387573631.db2.gz HDCDFDBNMVOKLF-UHFFFAOYSA-N 0 0 334.339 3.460 10 5 EGBERN CCOc1ccc(-c2nnc(-c3cccc(C)n3)o2)cc1[N+](=O)[O-] ZINC001324271226 1387576443 /nfs/dbraw/zinc/57/64/43/1387576443.db2.gz NEKHXYMJJAVHIY-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN CC(C)N(C)c1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1F ZINC001185211761 1387652074 /nfs/dbraw/zinc/65/20/74/1387652074.db2.gz CYTLQWTXQFXWRY-UHFFFAOYSA-N 0 0 346.362 3.421 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ncnn2-c2ccccc2)c2ccccc21 ZINC001186325600 1387922227 /nfs/dbraw/zinc/92/22/27/1387922227.db2.gz NXBQVWWXVNVQDF-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCC1(CO)CCC1 ZINC001186896440 1388024819 /nfs/dbraw/zinc/02/48/19/1388024819.db2.gz QGDFJEHNPGHTNT-UHFFFAOYSA-N 0 0 335.791 3.183 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC1(CO)CCCC1 ZINC001187044399 1388044743 /nfs/dbraw/zinc/04/47/43/1388044743.db2.gz ISSXWSAGYWVCHR-UHFFFAOYSA-N 0 0 335.791 3.183 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)CC1 ZINC001187189724 1388067206 /nfs/dbraw/zinc/06/72/06/1388067206.db2.gz GVZPGYJRWVNLKX-MGCOHNPYSA-N 0 0 342.421 3.299 10 5 EGBERN COc1cc(COC(=O)[C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1F ZINC001325915645 1388079179 /nfs/dbraw/zinc/07/91/79/1388079179.db2.gz GLUXLIWFGLOTDU-KOLCDFICSA-N 0 0 329.299 3.314 10 5 EGBERN CCCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC001116182589 1370853443 /nfs/dbraw/zinc/85/34/43/1370853443.db2.gz OGUCBOUPEVKMIN-UHFFFAOYSA-N 0 0 334.372 3.018 10 5 EGBERN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC001187361109 1388099258 /nfs/dbraw/zinc/09/92/58/1388099258.db2.gz FOYURHAMAAEVDE-CQSZACIVSA-N 0 0 342.237 3.134 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001117766314 1371078530 /nfs/dbraw/zinc/07/85/30/1371078530.db2.gz MOPKTDSAQNVNHR-UHFFFAOYSA-N 0 0 341.371 3.032 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001118847175 1371239183 /nfs/dbraw/zinc/23/91/83/1371239183.db2.gz YYQQTHAQGRAJLB-UHFFFAOYSA-N 0 0 329.352 3.456 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001118988829 1371261346 /nfs/dbraw/zinc/26/13/46/1371261346.db2.gz ZPKAWOLLAMRVMQ-ROUUACIJSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1csc(CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC001118990268 1371262129 /nfs/dbraw/zinc/26/21/29/1371262129.db2.gz KZMWJCWVZBODPJ-UHFFFAOYSA-N 0 0 349.338 3.157 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2c3ccccc3OC[C@H]2F)nc2sccn21 ZINC001187586448 1388128137 /nfs/dbraw/zinc/12/81/37/1388128137.db2.gz NMOVDXBDPRXIPQ-MWLCHTKSSA-N 0 0 334.332 3.188 10 5 EGBERN C[C@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001187669746 1388140443 /nfs/dbraw/zinc/14/04/43/1388140443.db2.gz QOHVWUZHRJHZBF-HNNXBMFYSA-N 0 0 348.359 3.058 10 5 EGBERN Cc1cc(N(C)CC(=O)NCCC2=CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001187701700 1388145746 /nfs/dbraw/zinc/14/57/46/1388145746.db2.gz HIXMYSLPGPMTBG-UHFFFAOYSA-N 0 0 349.406 3.485 10 5 EGBERN Cc1noc(Cc2ccc(Nc3ncc(C)cc3[N+](=O)[O-])cc2)n1 ZINC001187774103 1388160063 /nfs/dbraw/zinc/16/00/63/1388160063.db2.gz QVPIIHIACUREIJ-UHFFFAOYSA-N 0 0 325.328 3.324 10 5 EGBERN Cc1c[nH]c(=O)c(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])c1 ZINC001187807861 1388166984 /nfs/dbraw/zinc/16/69/84/1388166984.db2.gz PMZYLPAAPLXUBH-UHFFFAOYSA-N 0 0 344.758 3.239 10 5 EGBERN Cc1cc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)c([N+](=O)[O-])s1 ZINC001187880774 1388182633 /nfs/dbraw/zinc/18/26/33/1388182633.db2.gz QADMYUNMZDDMRC-UHFFFAOYSA-N 0 0 338.297 3.436 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cc(F)ccc1N(C)C ZINC001187926229 1388192087 /nfs/dbraw/zinc/19/20/87/1388192087.db2.gz GKCILJJDWLAQGF-JTQLQIEISA-N 0 0 346.362 3.072 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001123263964 1372410262 /nfs/dbraw/zinc/41/02/62/1372410262.db2.gz KOVIKHZSRDSLFJ-HZPDHXFCSA-N 0 0 333.388 3.469 10 5 EGBERN CC[C@@](C)(O)CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001123376070 1372446271 /nfs/dbraw/zinc/44/62/71/1372446271.db2.gz BKQQNBVCRREGEQ-CYBMUJFWSA-N 0 0 335.278 3.322 10 5 EGBERN CC1(C)C[C@@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001123375651 1372446307 /nfs/dbraw/zinc/44/63/07/1372446307.db2.gz MGJFSGXDPHQOBD-VBNZEHGJSA-N 0 0 333.384 3.447 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001123453975 1372474451 /nfs/dbraw/zinc/47/44/51/1372474451.db2.gz SLWJPIOWOKEGSF-JIMOISOXSA-N 0 0 325.315 3.459 10 5 EGBERN CC(C)Oc1cc(C(=O)NC2([C@H]3CCCO3)CCC2)ccc1[N+](=O)[O-] ZINC001124034194 1372660781 /nfs/dbraw/zinc/66/07/81/1372660781.db2.gz BDNNHOYBUDMRLZ-MRXNPFEDSA-N 0 0 348.399 3.214 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c(C)c1 ZINC001124293868 1372689584 /nfs/dbraw/zinc/68/95/84/1372689584.db2.gz IYPLKILSTXITPB-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(C(F)F)nc2ccccn21 ZINC001124396700 1372698207 /nfs/dbraw/zinc/69/82/07/1372698207.db2.gz PPADMSWXWAFUBI-UHFFFAOYSA-N 0 0 332.266 3.432 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001124475537 1372704647 /nfs/dbraw/zinc/70/46/47/1372704647.db2.gz FQDXAHJNMUYQLF-UHFFFAOYSA-N 0 0 348.362 3.310 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1ccc2ccc(F)cc21 ZINC001124882437 1372737714 /nfs/dbraw/zinc/73/77/14/1372737714.db2.gz XARAMVQDWYUFIU-UHFFFAOYSA-N 0 0 341.342 3.347 10 5 EGBERN COc1cccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001125382784 1372779190 /nfs/dbraw/zinc/77/91/90/1372779190.db2.gz RHIZPIHTTMCLBJ-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC001125419274 1372784106 /nfs/dbraw/zinc/78/41/06/1372784106.db2.gz VCCXXCHUQNVGLO-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001125527906 1372801630 /nfs/dbraw/zinc/80/16/30/1372801630.db2.gz KVRYKNDDWBGXAW-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(F)ccc2OC(C)C)n1 ZINC001125721731 1372841510 /nfs/dbraw/zinc/84/15/10/1372841510.db2.gz KALLDCCLKAMJRJ-UHFFFAOYSA-N 0 0 333.319 3.477 10 5 EGBERN O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001125765595 1372852634 /nfs/dbraw/zinc/85/26/34/1372852634.db2.gz OYHUHEPWSQYBBW-DGCLKSJQSA-N 0 0 333.731 3.131 10 5 EGBERN Cc1c(Cc2nnc(CCOc3ccccc3)o2)cccc1[N+](=O)[O-] ZINC001326524046 1388228719 /nfs/dbraw/zinc/22/87/19/1388228719.db2.gz MUKKLTFZXBDPMP-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN COC(=O)c1cc(NC(=O)/C=C(/C)c2cccs2)cc([N+](=O)[O-])c1 ZINC001126300836 1372955398 /nfs/dbraw/zinc/95/53/98/1372955398.db2.gz VFVOZQQRMHHZHU-POHAHGRESA-N 0 0 346.364 3.485 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001126613855 1372983675 /nfs/dbraw/zinc/98/36/75/1372983675.db2.gz XZSVELSXPMSUPS-UHFFFAOYSA-N 0 0 336.347 3.221 10 5 EGBERN CCc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC001126828775 1373037530 /nfs/dbraw/zinc/03/75/30/1373037530.db2.gz CJWMYEQNGJZVEI-UHFFFAOYSA-N 0 0 329.234 3.416 10 5 EGBERN CSc1cccnc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127128327 1373093139 /nfs/dbraw/zinc/09/31/39/1373093139.db2.gz RSEDXKGKPLMACR-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN COc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC001127366956 1373119767 /nfs/dbraw/zinc/11/97/67/1373119767.db2.gz KQHBOECWMWDMFP-SFHVURJKSA-N 0 0 340.379 3.340 10 5 EGBERN Cc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnc1F ZINC001127497479 1373132501 /nfs/dbraw/zinc/13/25/01/1373132501.db2.gz NDNXAIXBUDYNNR-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)[C@@H]1OC ZINC001127567860 1373140426 /nfs/dbraw/zinc/14/04/26/1373140426.db2.gz QVRWVJWTAQGOEH-WQVCFCJDSA-N 0 0 334.416 3.473 10 5 EGBERN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CCSC1 ZINC001127634113 1373151243 /nfs/dbraw/zinc/15/12/43/1373151243.db2.gz ZFMDETBBWLJIIB-ZDUSSCGKSA-N 0 0 343.408 3.234 10 5 EGBERN CN(CC(=O)NCC1CCC(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC001127725406 1373168448 /nfs/dbraw/zinc/16/84/48/1373168448.db2.gz PYHPGCFNDKDJMW-UHFFFAOYSA-N 0 0 333.432 3.364 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127864334 1373191826 /nfs/dbraw/zinc/19/18/26/1373191826.db2.gz NXNZCMVWDNFZHU-CZUORRHYSA-N 0 0 343.383 3.015 10 5 EGBERN Cc1cc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1F ZINC001127895898 1373197237 /nfs/dbraw/zinc/19/72/37/1373197237.db2.gz BBGBHVCSASNEPG-UHFFFAOYSA-N 0 0 332.331 3.465 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2COC2)cc1 ZINC001128116486 1373219780 /nfs/dbraw/zinc/21/97/80/1373219780.db2.gz OYKPUNWTDDUCKH-UHFFFAOYSA-N 0 0 346.314 3.072 10 5 EGBERN CCc1ncc(Cl)c(C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)n1 ZINC001128409634 1373263623 /nfs/dbraw/zinc/26/36/23/1373263623.db2.gz JCDIUNZYBUJCHJ-UHFFFAOYSA-N 0 0 338.726 3.300 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC001128472374 1373273242 /nfs/dbraw/zinc/27/32/42/1373273242.db2.gz XPUIOQYYKDFIEQ-UTUOFQBUSA-N 0 0 330.388 3.273 10 5 EGBERN CCOc1cccc(/C=C/C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128528181 1373283398 /nfs/dbraw/zinc/28/33/98/1373283398.db2.gz DLFFKYBJDLXBLF-ZHACJKMWSA-N 0 0 340.379 3.366 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001128985067 1373330985 /nfs/dbraw/zinc/33/09/85/1373330985.db2.gz MSFQUALXNSRSLA-YFHOEESVSA-N 0 0 328.372 3.278 10 5 EGBERN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001129018207 1373336542 /nfs/dbraw/zinc/33/65/42/1373336542.db2.gz MRESXXHMNSCZHA-UHFFFAOYSA-N 0 0 341.245 3.007 10 5 EGBERN Cc1cc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])sn1 ZINC001129038354 1373338807 /nfs/dbraw/zinc/33/88/07/1373338807.db2.gz AJILOVOFEXXGIC-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cnc2cc(C(=O)OCc3ccc(C)c([N+](=O)[O-])c3)ccn12 ZINC001129134568 1373350362 /nfs/dbraw/zinc/35/03/62/1373350362.db2.gz CJLGOPPPJAGPBP-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN Cc1ccc(COC(=O)c2ccc(OC(F)F)nc2)cc1[N+](=O)[O-] ZINC001129134421 1373350540 /nfs/dbraw/zinc/35/05/40/1373350540.db2.gz AOGFJFLNCFVXRK-UHFFFAOYSA-N 0 0 338.266 3.257 10 5 EGBERN COc1cc(C(=O)Oc2ccc3c(c2)nc(C)n3C)ccc1[N+](=O)[O-] ZINC001129145188 1373352641 /nfs/dbraw/zinc/35/26/41/1373352641.db2.gz YFPYGNDBSZZMDZ-UHFFFAOYSA-N 0 0 341.323 3.018 10 5 EGBERN Cc1ccoc1COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001129282715 1373367935 /nfs/dbraw/zinc/36/79/35/1373367935.db2.gz RMFUSRYCPZLORI-UHFFFAOYSA-N 0 0 327.296 3.039 10 5 EGBERN CC(C)(NC(=O)c1ncnc2sccc21)c1ccccc1[N+](=O)[O-] ZINC001129286732 1373368806 /nfs/dbraw/zinc/36/88/06/1373368806.db2.gz OBWAFAYBAVVUBD-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN CC1(C)CCC[C@@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001129632876 1373405234 /nfs/dbraw/zinc/40/52/34/1373405234.db2.gz DXZHYLFQKXBEGZ-CYBMUJFWSA-N 0 0 344.371 3.301 10 5 EGBERN Cc1oc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1C1CC1 ZINC001130433356 1373537576 /nfs/dbraw/zinc/53/75/76/1373537576.db2.gz UDYJZTTXJSTMNY-UHFFFAOYSA-N 0 0 340.339 3.362 10 5 EGBERN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761060 1373588926 /nfs/dbraw/zinc/58/89/26/1373588926.db2.gz DMFOYARSOKYXLS-ZYHUDNBSSA-N 0 0 327.340 3.087 10 5 EGBERN CCOc1cc(NC(=O)c2ccc(OC)c(F)c2)ccc1[N+](=O)[O-] ZINC001130796846 1373592383 /nfs/dbraw/zinc/59/23/83/1373592383.db2.gz KDGPPEFOEJYRCQ-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CCOc1cc(NC(=O)c2c(OC)cccc2OC)ccc1[N+](=O)[O-] ZINC001130799215 1373593345 /nfs/dbraw/zinc/59/33/45/1373593345.db2.gz XGLZWSPAMPPZIH-UHFFFAOYSA-N 0 0 346.339 3.263 10 5 EGBERN Cc1cccn2c(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cnc12 ZINC001130984276 1373620194 /nfs/dbraw/zinc/62/01/94/1373620194.db2.gz DTZUIVJLJCPINZ-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN C[C@@H](COc1c(F)cccc1F)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001131015715 1373624906 /nfs/dbraw/zinc/62/49/06/1373624906.db2.gz HDTRIUSNZMYILP-QMMMGPOBSA-N 0 0 342.323 3.132 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)S2 ZINC001131052202 1373633190 /nfs/dbraw/zinc/63/31/90/1373633190.db2.gz WMZDBFYCRLOJHF-YIOALNHFSA-N 0 0 338.341 3.083 10 5 EGBERN Cc1cccn2c(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cnc12 ZINC001131185221 1373658921 /nfs/dbraw/zinc/65/89/21/1373658921.db2.gz MNPGPHOTWSDNOF-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cccc2c1OCO2 ZINC001131251032 1373669307 /nfs/dbraw/zinc/66/93/07/1373669307.db2.gz RCTXZYTVLWSJGO-UHFFFAOYSA-N 0 0 337.291 3.124 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[N+](=O)[O-] ZINC001131257535 1373670705 /nfs/dbraw/zinc/67/07/05/1373670705.db2.gz QMAVCGPZYZSSRY-OAHLLOKOSA-N 0 0 348.362 3.198 10 5 EGBERN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001131654191 1373746278 /nfs/dbraw/zinc/74/62/78/1373746278.db2.gz LFADEVNRJWMYHV-QAPCUYQASA-N 0 0 348.399 3.009 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cccc(F)c1F ZINC001131702571 1373771475 /nfs/dbraw/zinc/77/14/75/1373771475.db2.gz ZOPLWEPBEIXCIW-UHFFFAOYSA-N 0 0 338.285 3.261 10 5 EGBERN Cc1sccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001132130953 1375160708 /nfs/dbraw/zinc/16/07/08/1375160708.db2.gz PHAMFYZYASWUMF-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)C2 ZINC001132272339 1375259240 /nfs/dbraw/zinc/25/92/40/1375259240.db2.gz AFUJGBOCTIAWAU-UHFFFAOYSA-N 0 0 330.315 3.207 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nnc([C@H]2CCCO2)o1 ZINC001327059478 1388370744 /nfs/dbraw/zinc/37/07/44/1388370744.db2.gz OVAVOGBOUAJYRV-GFCCVEGCSA-N 0 0 339.735 3.104 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001132418148 1375366491 /nfs/dbraw/zinc/36/64/91/1375366491.db2.gz BVYNGIDHBHIUDH-GJZGRUSLSA-N 0 0 346.427 3.051 10 5 EGBERN Cc1nc2ccc(C(=O)NCc3ccc(C)c([N+](=O)[O-])c3)cc2o1 ZINC001132637906 1375493113 /nfs/dbraw/zinc/49/31/13/1375493113.db2.gz ZSGRPMDXSDPCKM-UHFFFAOYSA-N 0 0 325.324 3.283 10 5 EGBERN Cc1ccc(CNC(=O)[C@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001132636953 1375493256 /nfs/dbraw/zinc/49/32/56/1375493256.db2.gz DYDCIEPJMPXMCN-LBPRGKRZSA-N 0 0 332.331 3.126 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2cccc3nccnc32)c1[N+](=O)[O-] ZINC001132772369 1375556004 /nfs/dbraw/zinc/55/60/04/1375556004.db2.gz IYRFKZRDKDGQFE-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CCC[C@]3(CCOC3)O2)c1 ZINC001188862537 1388393300 /nfs/dbraw/zinc/39/33/00/1388393300.db2.gz CVIRGJSTRWKVEI-IUODEOHRSA-N 0 0 327.764 3.355 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001132974739 1375689671 /nfs/dbraw/zinc/68/96/71/1375689671.db2.gz PYQJEDZQRCTGHU-GFCCVEGCSA-N 0 0 342.351 3.400 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1(CC2CC2)CC1 ZINC001132985269 1375693836 /nfs/dbraw/zinc/69/38/36/1375693836.db2.gz SUBITGRVQLPVTI-UHFFFAOYSA-N 0 0 347.371 3.132 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(OC(C)(C)C)c1 ZINC001133373012 1375952527 /nfs/dbraw/zinc/95/25/27/1375952527.db2.gz WYHIRYZJQMLEHE-UHFFFAOYSA-N 0 0 331.372 3.041 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ncc(Cl)s1 ZINC001133375176 1375955330 /nfs/dbraw/zinc/95/53/30/1375955330.db2.gz GDYHZLKLQZKNEQ-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001133701481 1376165625 /nfs/dbraw/zinc/16/56/25/1376165625.db2.gz FJAAIJCKFJCGSH-DZGCQCFKSA-N 0 0 330.315 3.105 10 5 EGBERN C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c21 ZINC001134150728 1376388358 /nfs/dbraw/zinc/38/83/58/1376388358.db2.gz YMXYCTRKLLJCIB-LLVKDONJSA-N 0 0 328.372 3.215 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3cccnc3)n2)n1 ZINC001134251125 1376434914 /nfs/dbraw/zinc/43/49/14/1376434914.db2.gz XCIJURNGZUPMDI-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001134501450 1376571035 /nfs/dbraw/zinc/57/10/35/1376571035.db2.gz MUNPZLLUIJNDSH-SNVBAGLBSA-N 0 0 347.302 3.176 10 5 EGBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1csc([N+](=O)[O-])c1 ZINC001135031587 1376858679 /nfs/dbraw/zinc/85/86/79/1376858679.db2.gz KSMBGQOEGHMKEV-UHFFFAOYSA-N 0 0 342.336 3.491 10 5 EGBERN CCc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC001135190476 1376963811 /nfs/dbraw/zinc/96/38/11/1376963811.db2.gz MHGOHDUBYPKBRO-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc2ccccc2c1 ZINC001136085899 1377338107 /nfs/dbraw/zinc/33/81/07/1377338107.db2.gz UNXZCHVKSFKMDZ-UHFFFAOYSA-N 0 0 330.731 3.401 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC001136135090 1377357335 /nfs/dbraw/zinc/35/73/35/1377357335.db2.gz QLGTVTYIVJUTKQ-UHFFFAOYSA-N 0 0 342.330 3.191 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(C)s1 ZINC001136195797 1377363631 /nfs/dbraw/zinc/36/36/31/1377363631.db2.gz ILCWLDOTWRHIJU-ZCFIWIBFSA-N 0 0 328.781 3.141 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2n[nH]c3ccc(F)cc32)c1[N+](=O)[O-] ZINC001136621097 1377410146 /nfs/dbraw/zinc/41/01/46/1377410146.db2.gz KZCLKQPRTGEJSF-UHFFFAOYSA-N 0 0 332.266 3.310 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001137045127 1377465205 /nfs/dbraw/zinc/46/52/05/1377465205.db2.gz WLNXMNMKQBTVIK-LLVKDONJSA-N 0 0 330.388 3.415 10 5 EGBERN Cc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(N)c1Cl ZINC001137106969 1377479912 /nfs/dbraw/zinc/47/99/12/1377479912.db2.gz AKMZPJCBAKAQGH-UHFFFAOYSA-N 0 0 331.759 3.295 10 5 EGBERN Cc1ccc(F)c(N)c1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001137234886 1377502324 /nfs/dbraw/zinc/50/23/24/1377502324.db2.gz VZMDQHXYFSXMBJ-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(NC(=O)C(C)C)cc2)n1 ZINC001137467194 1377552212 /nfs/dbraw/zinc/55/22/12/1377552212.db2.gz LKWVDFJXIUCFBD-UHFFFAOYSA-N 0 0 343.339 3.112 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001137707353 1377600943 /nfs/dbraw/zinc/60/09/43/1377600943.db2.gz LDIXWCHWAUFIFK-HZPDHXFCSA-N 0 0 349.431 3.059 10 5 EGBERN CCSc1c[nH]c(=O)c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC001137760177 1377611911 /nfs/dbraw/zinc/61/19/11/1377611911.db2.gz ZKAHMYKGTQZUAA-UHFFFAOYSA-N 0 0 349.368 3.068 10 5 EGBERN CC(C)c1ncsc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001138021095 1377666888 /nfs/dbraw/zinc/66/68/88/1377666888.db2.gz VPWFDKHULNFRRS-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc2c(c1)CCCC2 ZINC001138096273 1377676354 /nfs/dbraw/zinc/67/63/54/1377676354.db2.gz BMYQDVUIZMDSFB-VIFPVBQESA-N 0 0 348.790 3.341 10 5 EGBERN CC(C)(O)c1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001138327842 1377702907 /nfs/dbraw/zinc/70/29/07/1377702907.db2.gz LQMFQLOMQKZPBM-UHFFFAOYSA-N 0 0 349.774 3.310 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC001141299830 1378295325 /nfs/dbraw/zinc/29/53/25/1378295325.db2.gz PHSLZCWMGQAGMC-MRXNPFEDSA-N 0 0 348.786 3.362 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001141587669 1378347392 /nfs/dbraw/zinc/34/73/92/1378347392.db2.gz QUPCRYLMZHRANR-MRXNPFEDSA-N 0 0 329.331 3.124 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(C)c1N ZINC001141720369 1378365754 /nfs/dbraw/zinc/36/57/54/1378365754.db2.gz JXZBRVOKHJQKFY-UHFFFAOYSA-N 0 0 333.319 3.276 10 5 EGBERN CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H](C)c1ccc(F)cc1 ZINC001141913349 1378393879 /nfs/dbraw/zinc/39/38/79/1378393879.db2.gz HKMIVAYKFBQMER-MRVPVSSYSA-N 0 0 340.742 3.334 10 5 EGBERN Nc1ncc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC001142018913 1378405584 /nfs/dbraw/zinc/40/55/84/1378405584.db2.gz AUIPXIUHRUNUJN-UHFFFAOYSA-N 0 0 348.362 3.419 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001142443014 1378443772 /nfs/dbraw/zinc/44/37/72/1378443772.db2.gz FZVAQOIZRGYKCA-UHFFFAOYSA-N 0 0 348.305 3.393 10 5 EGBERN Cc1ccc(F)c(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001143383100 1378590711 /nfs/dbraw/zinc/59/07/11/1378590711.db2.gz NUFJXBYWJZIQCJ-UHFFFAOYSA-N 0 0 338.285 3.179 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1Cl ZINC001144056831 1378676502 /nfs/dbraw/zinc/67/65/02/1378676502.db2.gz KKRFFMSBFZEFSV-UHFFFAOYSA-N 0 0 333.106 3.325 10 5 EGBERN O=C(Nc1ccccc1NC1CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001144821023 1378774343 /nfs/dbraw/zinc/77/43/43/1378774343.db2.gz YARIAPMIAVYXBJ-UHFFFAOYSA-N 0 0 335.751 3.188 10 5 EGBERN CN(CC(F)(F)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001144910318 1378780300 /nfs/dbraw/zinc/78/03/00/1378780300.db2.gz CAQGUQDYPKDBSC-UHFFFAOYSA-N 0 0 330.184 3.004 10 5 EGBERN CCCc1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC001147171666 1378982008 /nfs/dbraw/zinc/98/20/08/1378982008.db2.gz WOGCSIMSEIRXMG-UHFFFAOYSA-N 0 0 336.779 3.495 10 5 EGBERN CC(C)n1c(NC(=O)c2ccc([N+](=O)[O-])cc2N)nc2ccccc21 ZINC001147656222 1379056947 /nfs/dbraw/zinc/05/69/47/1379056947.db2.gz NZQBPYHQKQJIKX-UHFFFAOYSA-N 0 0 339.355 3.360 10 5 EGBERN O=C(N[C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1Cl ZINC001147951744 1379101732 /nfs/dbraw/zinc/10/17/32/1379101732.db2.gz IWNALTXGUOEDAV-ZDUSSCGKSA-N 0 0 332.743 3.371 10 5 EGBERN Cc1nc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)sc1C ZINC001148104968 1379119923 /nfs/dbraw/zinc/11/99/23/1379119923.db2.gz HFSHYIKMNCJWRL-UHFFFAOYSA-N 0 0 339.804 3.180 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1Cl)CCO2 ZINC001148294914 1379147010 /nfs/dbraw/zinc/14/70/10/1379147010.db2.gz QTZNMTTZGJXDRF-UHFFFAOYSA-N 0 0 348.742 3.296 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC001148706460 1379247602 /nfs/dbraw/zinc/24/76/02/1379247602.db2.gz YVMVGOKBWQSQTG-LLVKDONJSA-N 0 0 332.331 3.026 10 5 EGBERN C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001148719295 1379251584 /nfs/dbraw/zinc/25/15/84/1379251584.db2.gz FERGLUJSOYZDOH-BDJLRTHQSA-N 0 0 348.786 3.143 10 5 EGBERN Nc1c(Cl)cc(C(=O)NCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC001149948214 1379471478 /nfs/dbraw/zinc/47/14/78/1379471478.db2.gz FIIGDCNTZHBQTE-UHFFFAOYSA-N 0 0 341.701 3.039 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2c1 ZINC001151193922 1379674015 /nfs/dbraw/zinc/67/40/15/1379674015.db2.gz ASJDSFWAUCMHHH-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN CC(C)(C)n1cc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC001327941983 1388628844 /nfs/dbraw/zinc/62/88/44/1388628844.db2.gz XUPPKXZNJZTMAQ-UHFFFAOYSA-N 0 0 342.355 3.385 10 5 EGBERN O=C(CCc1cccc(O)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001152591725 1379955219 /nfs/dbraw/zinc/95/52/19/1379955219.db2.gz CXXZRRPYRMLHNX-UHFFFAOYSA-N 0 0 348.786 3.245 10 5 EGBERN O=C(Nc1cccc2c1OCCCO2)c1cc(F)ccc1[N+](=O)[O-] ZINC001152802368 1379982274 /nfs/dbraw/zinc/98/22/74/1379982274.db2.gz CXOGZZUHULOQNI-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN CCC[C@H](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001153630593 1380107452 /nfs/dbraw/zinc/10/74/52/1380107452.db2.gz GZAIVNPQGJUREX-ZDUSSCGKSA-N 0 0 345.399 3.464 10 5 EGBERN COc1ccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2c1 ZINC001154158082 1380218023 /nfs/dbraw/zinc/21/80/23/1380218023.db2.gz MBSSCCKVDIQUOP-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCC[C@@H]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154331537 1380256918 /nfs/dbraw/zinc/25/69/18/1380256918.db2.gz IRSQBDNXELHTGI-CXAGYDPISA-N 0 0 332.400 3.401 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(C)cc1 ZINC001155852905 1380499024 /nfs/dbraw/zinc/49/90/24/1380499024.db2.gz JWXBVJWZBLONHM-HNNXBMFYSA-N 0 0 346.408 3.089 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c[nH]nc2-c2ccccc2F)n1 ZINC001156133726 1380529901 /nfs/dbraw/zinc/52/99/01/1380529901.db2.gz PXBBEVMEPWOXIE-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001156277056 1380551873 /nfs/dbraw/zinc/55/18/73/1380551873.db2.gz NPJHEKQFAAGZEW-HSZRJFAPSA-N 0 0 340.307 3.170 10 5 EGBERN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001156510996 1380586748 /nfs/dbraw/zinc/58/67/48/1380586748.db2.gz DMIWSCYRIHDAQY-HNNXBMFYSA-N 0 0 334.759 3.335 10 5 EGBERN O=C(NCc1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1Cl ZINC001158845919 1381429478 /nfs/dbraw/zinc/42/94/78/1381429478.db2.gz VGZBSAFCCXRZSC-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN Cc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001287964743 1381452211 /nfs/dbraw/zinc/45/22/11/1381452211.db2.gz LPFVVQKEMUOEND-UHFFFAOYSA-N 0 0 347.302 3.189 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(F)c(F)c1F ZINC001288031401 1381508034 /nfs/dbraw/zinc/50/80/34/1381508034.db2.gz LVXOZBFPTJLXNU-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1F ZINC001288100309 1381565971 /nfs/dbraw/zinc/56/59/71/1381565971.db2.gz NGVHCQCTUJTQJI-UHFFFAOYSA-N 0 0 347.133 3.266 10 5 EGBERN Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc([N+](=O)[O-])c1 ZINC001159511573 1381813332 /nfs/dbraw/zinc/81/33/32/1381813332.db2.gz BREJWNKYACIDDW-UHFFFAOYSA-N 0 0 325.324 3.040 10 5 EGBERN O=C(NCCC[C@H]1C=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001288462159 1381823323 /nfs/dbraw/zinc/82/33/23/1381823323.db2.gz PORWKVAKZFCBSA-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001159881810 1381927204 /nfs/dbraw/zinc/92/72/04/1381927204.db2.gz STDYJFYFRKNEFW-LBPRGKRZSA-N 0 0 330.315 3.490 10 5 EGBERN Cn1cnc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC001288887424 1381959278 /nfs/dbraw/zinc/95/92/78/1381959278.db2.gz FDOFZILLWZHLEA-UHFFFAOYSA-N 0 0 344.758 3.065 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1ccc(Cl)cc1 ZINC001289987671 1382038016 /nfs/dbraw/zinc/03/80/16/1382038016.db2.gz CLVBGVSLVOLREZ-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC001328483153 1388760573 /nfs/dbraw/zinc/76/05/73/1388760573.db2.gz UBYSCZWBUXQJHI-ZUZCIYMTSA-N 0 0 342.342 3.054 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc(C(C)C)s1 ZINC001160555629 1382140122 /nfs/dbraw/zinc/14/01/22/1382140122.db2.gz HCPWCADLAKNEJJ-UHFFFAOYSA-N 0 0 336.373 3.221 10 5 EGBERN Nc1ccc(NC(=O)C[C@H]2OCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001160697018 1382173685 /nfs/dbraw/zinc/17/36/85/1382173685.db2.gz UPEAVZLOJZSMDY-OAHLLOKOSA-N 0 0 347.758 3.431 10 5 EGBERN CCOc1cccc(/C=C/C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001160704086 1382175085 /nfs/dbraw/zinc/17/50/85/1382175085.db2.gz ZADNMLDPXGEFRP-RMKNXTFCSA-N 0 0 327.340 3.228 10 5 EGBERN C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293604828 1382313364 /nfs/dbraw/zinc/31/33/64/1382313364.db2.gz NHEGYQFXOFPKII-ZJUUUORDSA-N 0 0 325.796 3.481 10 5 EGBERN CCN(c1ncnc2c(Cl)cc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC001328572805 1388777387 /nfs/dbraw/zinc/77/73/87/1388777387.db2.gz MMTWAUDSXRSABY-JTQLQIEISA-N 0 0 336.779 3.197 10 5 EGBERN CSc1cccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001161292543 1382363073 /nfs/dbraw/zinc/36/30/73/1382363073.db2.gz AJUXFTIRILFUOH-UHFFFAOYSA-N 0 0 345.380 3.313 10 5 EGBERN Cc1nc2cc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])ccc2[nH]1 ZINC001294769059 1382496623 /nfs/dbraw/zinc/49/66/23/1382496623.db2.gz RHMWOOPWKZKRAX-UHFFFAOYSA-N 0 0 328.303 3.100 10 5 EGBERN O=C(NCc1ccnc(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001161761970 1382498239 /nfs/dbraw/zinc/49/82/39/1382498239.db2.gz RJRNNHPPCANKBG-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN CS(=O)(=O)c1ccc(Oc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001161964116 1382574901 /nfs/dbraw/zinc/57/49/01/1382574901.db2.gz CZGRYQAYIGOLIL-UHFFFAOYSA-N 0 0 344.348 3.339 10 5 EGBERN Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001295441303 1382643128 /nfs/dbraw/zinc/64/31/28/1382643128.db2.gz OYQRAXAYQNEMCJ-UHFFFAOYSA-N 0 0 328.372 3.112 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1cccc3c1OCO3)CCCC2 ZINC001162232288 1382662560 /nfs/dbraw/zinc/66/25/60/1382662560.db2.gz QLCCYTICFARCGF-UHFFFAOYSA-N 0 0 327.340 3.209 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCCc1cccc(C(F)(F)F)c1 ZINC001162273986 1382719178 /nfs/dbraw/zinc/71/91/78/1382719178.db2.gz XAPIWDBEQUEXNG-UHFFFAOYSA-N 0 0 325.290 3.475 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccnc(OCC4CC4)c3)nc2c1 ZINC001162430129 1382757196 /nfs/dbraw/zinc/75/71/96/1382757196.db2.gz BMPIVZFENQOAKF-UHFFFAOYSA-N 0 0 339.355 3.267 10 5 EGBERN CC(C)(C)C(=O)NCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001162652790 1382821719 /nfs/dbraw/zinc/82/17/19/1382821719.db2.gz VVSZGPMLRGHCSM-UHFFFAOYSA-N 0 0 334.203 3.476 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC/C=C\c1ccccc1 ZINC001162929763 1382919613 /nfs/dbraw/zinc/91/96/13/1382919613.db2.gz RPLSYLAVROYLBB-YVMONPNESA-N 0 0 326.278 3.472 10 5 EGBERN Nc1nc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncc1[N+](=O)[O-] ZINC001163519680 1383071376 /nfs/dbraw/zinc/07/13/76/1383071376.db2.gz NYYVVKDIEJLLFW-PWSUYJOCSA-N 0 0 333.779 3.369 10 5 EGBERN Cc1cn2c(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)nc2s1 ZINC001163606186 1383087489 /nfs/dbraw/zinc/08/74/89/1383087489.db2.gz VRJZEYKXXVKOBV-UHFFFAOYSA-N 0 0 347.356 3.441 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001296991511 1383103106 /nfs/dbraw/zinc/10/31/06/1383103106.db2.gz VSVUVADUTQLTJW-KBMXLJTQSA-N 0 0 334.416 3.002 10 5 EGBERN CCOC(=O)[C@@]1(C)CCC[C@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001163802679 1383123650 /nfs/dbraw/zinc/12/36/50/1383123650.db2.gz XZBILNCLEYECJA-QAPCUYQASA-N 0 0 343.383 3.099 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cnc3n2CCC3)nc1-c1ccccc1 ZINC001164146722 1383160745 /nfs/dbraw/zinc/16/07/45/1383160745.db2.gz ZXENGFZBCAWEBH-UHFFFAOYSA-N 0 0 335.367 3.412 10 5 EGBERN Cc1cc(N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC001164226106 1383168159 /nfs/dbraw/zinc/16/81/59/1383168159.db2.gz NTABGKYFCFZAAZ-LURJTMIESA-N 0 0 333.245 3.352 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1)C1CC1 ZINC001298119264 1383366119 /nfs/dbraw/zinc/36/61/19/1383366119.db2.gz XBHFMBMJHFKYNP-UHFFFAOYSA-N 0 0 327.388 3.252 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nn1C ZINC001298192087 1383381401 /nfs/dbraw/zinc/38/14/01/1383381401.db2.gz SCMUCYIILQPRCW-UHFFFAOYSA-N 0 0 343.387 3.278 10 5 EGBERN C=Cc1ccc(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001298323289 1383391460 /nfs/dbraw/zinc/39/14/60/1383391460.db2.gz CRDNULIRVNEXEJ-UHFFFAOYSA-N 0 0 328.343 3.278 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001328774323 1388854974 /nfs/dbraw/zinc/85/49/74/1388854974.db2.gz IAOOVWQUCSQVGC-OXHMUOHRSA-N 0 0 335.310 3.240 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(O)c(F)cc1F ZINC001298975594 1383448553 /nfs/dbraw/zinc/44/85/53/1383448553.db2.gz XEXNDOKCSJIHLF-UHFFFAOYSA-N 0 0 338.266 3.230 10 5 EGBERN O=C(CCC1CCCC1)COc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001166938593 1383501812 /nfs/dbraw/zinc/50/18/12/1383501812.db2.gz CJBOZNYBPDUUOY-UHFFFAOYSA-N 0 0 335.356 3.284 10 5 EGBERN CNc1c(C(=O)Nc2cncc3c2CCCC3)cccc1[N+](=O)[O-] ZINC001300771117 1383679939 /nfs/dbraw/zinc/67/99/39/1383679939.db2.gz YETNXQCIILORTF-UHFFFAOYSA-N 0 0 326.356 3.163 10 5 EGBERN O=C(NCc1ccns1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001300928065 1383686104 /nfs/dbraw/zinc/68/61/04/1383686104.db2.gz QNYFRRHXTLPFAB-UHFFFAOYSA-N 0 0 346.393 3.105 10 5 EGBERN CC1(C)C=Cc2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2O1 ZINC001301729452 1383727926 /nfs/dbraw/zinc/72/79/26/1383727926.db2.gz PNTYVNWPBANIFC-UHFFFAOYSA-N 0 0 341.323 3.132 10 5 EGBERN O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC001303034980 1383779552 /nfs/dbraw/zinc/77/95/52/1383779552.db2.gz UQBPXEJXVLVAPB-SNVBAGLBSA-N 0 0 332.213 3.143 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001303573623 1383807516 /nfs/dbraw/zinc/80/75/16/1383807516.db2.gz UIHHPBKLJNJVBI-WCBMZHEXSA-N 0 0 338.726 3.243 10 5 EGBERN CC[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001303841334 1383815661 /nfs/dbraw/zinc/81/56/61/1383815661.db2.gz RISHFEQVFALPHI-GFCCVEGCSA-N 0 0 336.388 3.001 10 5 EGBERN CSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001168136841 1383824720 /nfs/dbraw/zinc/82/47/20/1383824720.db2.gz VORSJNONPYWXIV-BDJLRTHQSA-N 0 0 346.408 3.169 10 5 EGBERN CC[C@@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001304738956 1383853368 /nfs/dbraw/zinc/85/33/68/1383853368.db2.gz VGOBHPGPVADNMF-OAHLLOKOSA-N 0 0 329.331 3.423 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001168309713 1383869773 /nfs/dbraw/zinc/86/97/73/1383869773.db2.gz OMTQNJHLKPCWAX-WDEREUQCSA-N 0 0 347.159 3.444 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ccccc34)CC2)n1 ZINC001306923806 1383921136 /nfs/dbraw/zinc/92/11/36/1383921136.db2.gz ZENHMYRLFYGNRT-UHFFFAOYSA-N 0 0 325.372 3.194 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCCN2CCc3ccccc32)cc1F ZINC001306927912 1383921659 /nfs/dbraw/zinc/92/16/59/1383921659.db2.gz MJFQYQCJOWOTBF-UHFFFAOYSA-N 0 0 345.374 3.091 10 5 EGBERN Cc1cc(Nc2c([N+](=O)[O-])cnn2C)ccc1C(=O)OC(C)(C)C ZINC001307087071 1383938531 /nfs/dbraw/zinc/93/85/31/1383938531.db2.gz HSAYDXCMRKWAJQ-UHFFFAOYSA-N 0 0 332.360 3.336 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2F)c([N+](=O)[O-])c1 ZINC001307129951 1383943028 /nfs/dbraw/zinc/94/30/28/1383943028.db2.gz ULZSXMXBNWZSFN-UHFFFAOYSA-N 0 0 341.182 3.482 10 5 EGBERN Cc1cc(NCc2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])s1 ZINC001307131542 1383943101 /nfs/dbraw/zinc/94/31/01/1383943101.db2.gz JXDDOBFIQXGHDJ-UHFFFAOYSA-N 0 0 329.385 3.217 10 5 EGBERN COC(=O)c1ccc2[nH]c(CNc3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC001307146798 1383945334 /nfs/dbraw/zinc/94/53/34/1383945334.db2.gz IYFIGZJPJVYNNW-UHFFFAOYSA-N 0 0 344.302 3.009 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001307146687 1383945849 /nfs/dbraw/zinc/94/58/49/1383945849.db2.gz WKRMHTQGAOQALM-RYUDHWBXSA-N 0 0 336.392 3.094 10 5 EGBERN C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001307150580 1383946054 /nfs/dbraw/zinc/94/60/54/1383946054.db2.gz MCHYQWWFHWXHRZ-MNOVXSKESA-N 0 0 326.418 3.460 10 5 EGBERN COC(=O)Cc1ccc(N2Cc3cc(F)c(F)cc3C2)c([N+](=O)[O-])c1 ZINC001307152004 1383946539 /nfs/dbraw/zinc/94/65/39/1383946539.db2.gz SJXWXGHQHCTHSN-UHFFFAOYSA-N 0 0 348.305 3.109 10 5 EGBERN O=[N+]([O-])c1cnc(Oc2cc(CO)cc(C(F)(F)F)c2)c(F)c1 ZINC001307175827 1383950234 /nfs/dbraw/zinc/95/02/34/1383950234.db2.gz WKAXETFQKHTREE-UHFFFAOYSA-N 0 0 332.209 3.432 10 5 EGBERN C[C@H]1Cc2cc(CNc3nc4sccn4c3[N+](=O)[O-])ccc2O1 ZINC001307204439 1383956218 /nfs/dbraw/zinc/95/62/18/1383956218.db2.gz ORQJPJHOXUXHCH-VIFPVBQESA-N 0 0 330.369 3.240 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CCC[C@H](C(F)(F)F)O3)nc2c1 ZINC001307203751 1383956225 /nfs/dbraw/zinc/95/62/25/1383956225.db2.gz IUFORHGYSDDSLE-JOYOIKCWSA-N 0 0 344.293 3.383 10 5 EGBERN Cc1ccnc(N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001307228685 1383961441 /nfs/dbraw/zinc/96/14/41/1383961441.db2.gz VGSUYAXTUDVMNF-HAQNSBGRSA-N 0 0 336.392 3.013 10 5 EGBERN O=[N+]([O-])c1ccc(COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001307368829 1383978598 /nfs/dbraw/zinc/97/85/98/1383978598.db2.gz UVUJTSCPRQLHIX-UHFFFAOYSA-N 0 0 337.219 3.129 10 5 EGBERN CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC001307701728 1384016364 /nfs/dbraw/zinc/01/63/64/1384016364.db2.gz YMROCXCYUJMHIV-UHFFFAOYSA-N 0 0 335.448 3.387 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001308034632 1384078418 /nfs/dbraw/zinc/07/84/18/1384078418.db2.gz HAIPNWUYXVDZTC-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN CCOC(=O)[C@](C)(NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001308088098 1384089116 /nfs/dbraw/zinc/08/91/16/1384089116.db2.gz HQRWDUIRDRPDBN-LJQANCHMSA-N 0 0 342.395 3.471 10 5 EGBERN C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC001169033222 1384094429 /nfs/dbraw/zinc/09/44/29/1384094429.db2.gz QYIPXQBDWVXVCJ-JTQLQIEISA-N 0 0 331.763 3.142 10 5 EGBERN Cc1ccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001313154714 1384400118 /nfs/dbraw/zinc/40/01/18/1384400118.db2.gz GHNGGFUPOVXMIR-UHFFFAOYSA-N 0 0 331.347 3.350 10 5 EGBERN C[C@H](CNC(=O)N(O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001313352198 1384412473 /nfs/dbraw/zinc/41/24/73/1384412473.db2.gz NEKAUWXWSMQLBV-CYBMUJFWSA-N 0 0 329.356 3.299 10 5 EGBERN COC(=O)[C@](C)(NCC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001175141175 1385201458 /nfs/dbraw/zinc/20/14/58/1385201458.db2.gz UWOYVSRKKHOQGH-RPVQJOFSSA-N 0 0 332.400 3.009 10 5 EGBERN O=C(C=C1CCCC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177674956 1386020328 /nfs/dbraw/zinc/02/03/28/1386020328.db2.gz AWDHFEAOEMWXIV-UHFFFAOYSA-N 0 0 328.372 3.020 10 5 EGBERN Cc1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)sc1C ZINC001319974733 1386428726 /nfs/dbraw/zinc/42/87/26/1386428726.db2.gz PYEDNQDCHOENIB-UHFFFAOYSA-N 0 0 345.424 3.402 10 5 EGBERN Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(C)n1 ZINC001320091196 1386505748 /nfs/dbraw/zinc/50/57/48/1386505748.db2.gz UENRXGXARGKEBK-UHFFFAOYSA-N 0 0 340.383 3.225 10 5 EGBERN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc(C)n1 ZINC001320219619 1386559810 /nfs/dbraw/zinc/55/98/10/1386559810.db2.gz UNFJIWPVSDUUBP-UHFFFAOYSA-N 0 0 331.347 3.084 10 5 EGBERN COC(=O)c1coc(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)c1 ZINC001320329596 1386577095 /nfs/dbraw/zinc/57/70/95/1386577095.db2.gz YNMAWNZTRHBFAL-UHFFFAOYSA-N 0 0 343.295 3.308 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H](O)C2(CC2)C1 ZINC001320578689 1386656738 /nfs/dbraw/zinc/65/67/38/1386656738.db2.gz DAFWNSZKSYQJGF-LLVKDONJSA-N 0 0 336.697 3.228 10 5 EGBERN CCCc1n[nH]c(C(=O)NCCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001180346110 1386770143 /nfs/dbraw/zinc/77/01/43/1386770143.db2.gz KSYANATZCKZIMG-UHFFFAOYSA-N 0 0 344.362 3.216 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nnc(COc2ccccc2F)o1 ZINC001322129405 1387066856 /nfs/dbraw/zinc/06/68/56/1387066856.db2.gz JBFNFFJSLWAITA-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN Cc1nc(CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC001322400878 1387179776 /nfs/dbraw/zinc/17/97/76/1387179776.db2.gz VBJTXWOQOWODOL-LLVKDONJSA-N 0 0 333.413 3.396 10 5 EGBERN CCC[C@@H](C)[C@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330060109 1389296623 /nfs/dbraw/zinc/29/66/23/1389296623.db2.gz QSADFMDASQMVMC-RNCFNFMXSA-N 0 0 338.795 3.400 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001330153407 1389316475 /nfs/dbraw/zinc/31/64/75/1389316475.db2.gz WRINQSSUPSVYGZ-UTUOFQBUSA-N 0 0 325.315 3.459 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)n[nH]1 ZINC001340494145 1390298516 /nfs/dbraw/zinc/29/85/16/1390298516.db2.gz GHBJLTFAVHLZIW-UHFFFAOYSA-N 0 0 346.290 3.068 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1C(F)(F)F ZINC001333621094 1390357573 /nfs/dbraw/zinc/35/75/73/1390357573.db2.gz XOODKULWZXWWNG-GHMZBOCLSA-N 0 0 325.246 3.280 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC001333836885 1390418974 /nfs/dbraw/zinc/41/89/74/1390418974.db2.gz SISUHLCGLCFHIA-ZIAGYGMSSA-N 0 0 330.306 3.063 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc(C)nnc2C)c1 ZINC001334039597 1390465526 /nfs/dbraw/zinc/46/55/26/1390465526.db2.gz MWQSFWONYZRPEK-UHFFFAOYSA-N 0 0 347.396 3.222 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC1CCC(O)CC1 ZINC001334341375 1390520119 /nfs/dbraw/zinc/52/01/19/1390520119.db2.gz LYAORLWAEPYAAB-UHFFFAOYSA-N 0 0 341.791 3.275 10 5 EGBERN O=C(OCc1cnccc1Cl)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999344 1390749197 /nfs/dbraw/zinc/74/91/97/1390749197.db2.gz WZTQAPKTVRWJSM-KBPBESRZSA-N 0 0 332.743 3.490 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCOC2(CCOCC2)C1 ZINC001345003217 1390830040 /nfs/dbraw/zinc/83/00/40/1390830040.db2.gz VGEGBDLWGTVEMT-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OC[C@]12CCC[C@@H]1OCC2 ZINC001345635847 1390870791 /nfs/dbraw/zinc/87/07/91/1390870791.db2.gz ACMVEFBIPMLDSI-GOEBONIOSA-N 0 0 337.397 3.189 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1sc(Cc2ccccc2)nc1C ZINC001346198422 1390914756 /nfs/dbraw/zinc/91/47/56/1390914756.db2.gz WWGDAXKGLQQDNG-ZDUSSCGKSA-N 0 0 334.397 3.254 10 5 EGBERN C[C@]1(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCCOC1 ZINC001346944850 1390988291 /nfs/dbraw/zinc/98/82/91/1390988291.db2.gz DOVDUJISXKTTTI-INIZCTEOSA-N 0 0 325.336 3.026 10 5 EGBERN O=C(N1CC[C@H]1[C@@H]1CCCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001347630743 1391102894 /nfs/dbraw/zinc/10/28/94/1391102894.db2.gz PDYWONQOEWGOHR-PBHICJAKSA-N 0 0 344.411 3.044 10 5 EGBERN O=C(NCCc1ccco1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001347788161 1391124567 /nfs/dbraw/zinc/12/45/67/1391124567.db2.gz ANUHIFGFRPYIQX-UHFFFAOYSA-N 0 0 337.335 3.222 10 5 EGBERN CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC001347825439 1391130810 /nfs/dbraw/zinc/13/08/10/1391130810.db2.gz LAEFHIMYJHXJDZ-UHFFFAOYSA-N 0 0 337.395 3.452 10 5 EGBERN O=C(Oc1ccc2c(c1)OCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001348395143 1391213572 /nfs/dbraw/zinc/21/35/72/1391213572.db2.gz VNUXCFBDJYRCLY-UONOGXRCSA-N 0 0 327.292 3.033 10 5 EGBERN O=C(Oc1ccc2c(c1)OCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001348395142 1391213666 /nfs/dbraw/zinc/21/36/66/1391213666.db2.gz VNUXCFBDJYRCLY-KGLIPLIRSA-N 0 0 327.292 3.033 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001348437779 1391219479 /nfs/dbraw/zinc/21/94/79/1391219479.db2.gz AACUPVRQTFYOFQ-OAHLLOKOSA-N 0 0 334.303 3.069 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccc2cnccc2c1 ZINC001348476144 1391225489 /nfs/dbraw/zinc/22/54/89/1391225489.db2.gz DZOQPVGMHOUBAA-UHFFFAOYSA-N 0 0 338.319 3.300 10 5 EGBERN CC(C)CCC[C@@H](C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001348521794 1391231622 /nfs/dbraw/zinc/23/16/22/1391231622.db2.gz WPQHAYCNZRTMHJ-CYBMUJFWSA-N 0 0 345.403 3.120 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCOc1ccccc1 ZINC001348624034 1391246045 /nfs/dbraw/zinc/24/60/45/1391246045.db2.gz NJUUKFOINRLKKE-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001348808134 1391270093 /nfs/dbraw/zinc/27/00/93/1391270093.db2.gz JIANYUWSWGNQHW-SMDDNHRTSA-N 0 0 346.408 3.451 10 5 EGBERN C[C@H](CNC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001349145323 1391306460 /nfs/dbraw/zinc/30/64/60/1391306460.db2.gz BIEWZDCIBWRHPR-CJNGLKHVSA-N 0 0 347.415 3.099 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(Cc2c[nH]cn2)CC1 ZINC001349607083 1391344535 /nfs/dbraw/zinc/34/45/35/1391344535.db2.gz AUMJJZXBDZNOQN-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001349768728 1391365036 /nfs/dbraw/zinc/36/50/36/1391365036.db2.gz ZYSKZYWXDVDZNL-SNVBAGLBSA-N 0 0 348.428 3.167 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1COC[C@@H]1c1ccccc1 ZINC001349887410 1391381133 /nfs/dbraw/zinc/38/11/33/1391381133.db2.gz XYHATMPKSRKANI-KGLIPLIRSA-N 0 0 330.315 3.103 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001350022035 1391399297 /nfs/dbraw/zinc/39/92/97/1391399297.db2.gz CCWQFXZHTRIUHQ-UONOGXRCSA-N 0 0 332.306 3.293 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001350299319 1391443595 /nfs/dbraw/zinc/44/35/95/1391443595.db2.gz PCNUFTFNJRULQV-WONIAPNHSA-N 0 0 343.408 3.471 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2c1OCCCO2 ZINC001350386957 1391456594 /nfs/dbraw/zinc/45/65/94/1391456594.db2.gz GXWAUJHWFSRMQR-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001350584273 1391484508 /nfs/dbraw/zinc/48/45/08/1391484508.db2.gz UTAGTAXOTYRYPF-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN C[C@H](NC(=O)NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001350847562 1391544479 /nfs/dbraw/zinc/54/44/79/1391544479.db2.gz PVJKWPHNBVJDFF-VOIZVOFFSA-N 0 0 325.315 3.143 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCO[C@@H](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001350914693 1391557237 /nfs/dbraw/zinc/55/72/37/1391557237.db2.gz BRSQNXWCMHZEMQ-CQSZACIVSA-N 0 0 338.379 3.320 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001350940569 1391564601 /nfs/dbraw/zinc/56/46/01/1391564601.db2.gz CSAMWEMWPKIVEV-GJZGRUSLSA-N 0 0 340.379 3.212 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001350940575 1391564702 /nfs/dbraw/zinc/56/47/02/1391564702.db2.gz CSAMWEMWPKIVEV-LSDHHAIUSA-N 0 0 340.379 3.212 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCOc2c(F)cccc21 ZINC001351327563 1391627609 /nfs/dbraw/zinc/62/76/09/1391627609.db2.gz LAGJTUSCENIOOF-NSHDSACASA-N 0 0 334.278 3.378 10 5 EGBERN Cc1cnc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001352371349 1391789616 /nfs/dbraw/zinc/78/96/16/1391789616.db2.gz OGONECYGOQJYMI-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN COc1cnc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 ZINC001352649955 1391829357 /nfs/dbraw/zinc/82/93/57/1391829357.db2.gz ZFNJAAZEAQTQOH-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CS(C)(=O)=Nc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001352659524 1391830157 /nfs/dbraw/zinc/83/01/57/1391830157.db2.gz GLQSWEJVXFTTDA-UHFFFAOYSA-N 0 0 333.369 3.206 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C2CC2)cc1 ZINC001353030340 1391916264 /nfs/dbraw/zinc/91/62/64/1391916264.db2.gz FFDQFEMRRBMOKI-KRWDZBQOSA-N 0 0 325.368 3.488 10 5 EGBERN CCCCCCO[C@@H](C)C(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC001353640601 1392057556 /nfs/dbraw/zinc/05/75/56/1392057556.db2.gz KLNSBZJMPOPTHG-LBPRGKRZSA-N 0 0 325.361 3.494 10 5 EGBERN CC1(C)CCc2onc(C(=O)NCc3cccc([N+](=O)[O-])c3)c2C1 ZINC001353682240 1392066592 /nfs/dbraw/zinc/06/65/92/1392066592.db2.gz UVYQUAVPAQSBSB-UHFFFAOYSA-N 0 0 329.356 3.028 10 5 EGBERN COC(=O)c1cc(F)ccc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001353840476 1392101695 /nfs/dbraw/zinc/10/16/95/1392101695.db2.gz HSHPWUXVSPBAIQ-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2F)C(C)C)n1 ZINC001354233743 1392130944 /nfs/dbraw/zinc/13/09/44/1392130944.db2.gz OQRDIUUGQZYGNA-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2nncc3ccccc32)cc1[N+](=O)[O-] ZINC001354628661 1392156955 /nfs/dbraw/zinc/15/69/55/1392156955.db2.gz PUXJZJGPEACVGN-LBPRGKRZSA-N 0 0 336.351 3.337 10 5 EGBERN O=C(Cc1ccc2cccnc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001355003697 1392184709 /nfs/dbraw/zinc/18/47/09/1392184709.db2.gz JKMDHHIECTVUQJ-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN CN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001355015560 1392185978 /nfs/dbraw/zinc/18/59/78/1392185978.db2.gz JTRJHZCOHRPRCP-HNNXBMFYSA-N 0 0 333.775 3.490 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001355055149 1392189907 /nfs/dbraw/zinc/18/99/07/1392189907.db2.gz FLXLXDMUGDXPAA-SUMWQHHRSA-N 0 0 330.315 3.427 10 5 EGBERN CCC(=CC(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1)CC ZINC001698985297 1406768069 /nfs/dbraw/zinc/76/80/69/1406768069.db2.gz JZHFOVMGBLWPQO-UHFFFAOYSA-N 0 0 339.461 3.293 10 5 EGBERN CN(CCN(C)C(=O)C1CCC=CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001699003788 1406821804 /nfs/dbraw/zinc/82/18/04/1406821804.db2.gz GXAKKEVEUOPIQI-UHFFFAOYSA-N 0 0 345.443 3.231 10 5 EGBERN C[C@@H](CNC(=O)NCC1(O)CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687731978 1396474277 /nfs/dbraw/zinc/47/42/77/1396474277.db2.gz AJDBIVQACPQDBM-AWEZNQCLSA-N 0 0 349.431 3.083 10 5 EGBERN Cc1cc(C)cc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC001713474990 1418154146 /nfs/dbraw/zinc/15/41/46/1418154146.db2.gz JUEGWXCJWPHHQF-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccoc1)C1CC1 ZINC001729349012 1427164234 /nfs/dbraw/zinc/16/42/34/1427164234.db2.gz IOXICVFRRVYKOO-UHFFFAOYSA-N 0 0 339.355 3.093 10 5 EGBERN CC/C(C)=C\C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001731349279 1427287039 /nfs/dbraw/zinc/28/70/39/1427287039.db2.gz XNEJPBYFJKTUPU-SQFISAMPSA-N 0 0 345.443 3.374 10 5 EGBERN C[N+](C)([O-])CCCOc1nn(Cc2ccccc2)c2ccccc21 ZINC000616451381 717187721 /nfs/dbraw/zinc/18/77/21/717187721.db2.gz BACBOLOXVSAFGK-UHFFFAOYSA-N 0 0 326.420 3.319 10 5 EGBERN COc1ccccc1N1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000173914841 231069309 /nfs/dbraw/zinc/06/93/09/231069309.db2.gz MCJIVWIAYATMAI-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H](C)CO2)c1 ZINC000174709136 231285750 /nfs/dbraw/zinc/28/57/50/231285750.db2.gz WWUSKFHRHSICRW-CJNGLKHVSA-N 0 0 344.367 3.407 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174844943 231323472 /nfs/dbraw/zinc/32/34/72/231323472.db2.gz JZMNOYAYRLXYKZ-ZWKOTPCHSA-N 0 0 340.379 3.323 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000177839371 232007985 /nfs/dbraw/zinc/00/79/85/232007985.db2.gz BRVJNGQGIHZPBY-CYBMUJFWSA-N 0 0 328.368 3.419 10 5 EGBERN CCOC(=O)c1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000003913744 210093487 /nfs/dbraw/zinc/09/34/87/210093487.db2.gz BMHUYXZBMAWLCN-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN C[C@@H](CCc1ccccc1)NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003448984 210043275 /nfs/dbraw/zinc/04/32/75/210043275.db2.gz DOFPKSHHGWAECY-ZDUSSCGKSA-N 0 0 346.358 3.250 10 5 EGBERN COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000003442200 210040245 /nfs/dbraw/zinc/04/02/45/210040245.db2.gz BCWFVTOMCIMSAX-GFCCVEGCSA-N 0 0 343.335 3.340 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)c1c[nH]c2ccccc21 ZINC000003355329 210016627 /nfs/dbraw/zinc/01/66/27/210016627.db2.gz FDHJASVIEYCSCZ-UHFFFAOYSA-N 0 0 330.321 3.177 10 5 EGBERN CCOc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040659607 213365220 /nfs/dbraw/zinc/36/52/20/213365220.db2.gz VLMYOPXNFWVWMU-UHFFFAOYSA-N 0 0 344.249 3.426 10 5 EGBERN Cc1cc(C)n(-c2ncnc(N(CC(C)C)CC(C)C)c2[N+](=O)[O-])n1 ZINC000040614027 213358609 /nfs/dbraw/zinc/35/86/09/213358609.db2.gz DLVAHSAOKHCYDA-UHFFFAOYSA-N 0 0 346.435 3.306 10 5 EGBERN CCNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040596642 213356325 /nfs/dbraw/zinc/35/63/25/213356325.db2.gz JQVONZICOYMYSV-UHFFFAOYSA-N 0 0 339.149 3.371 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccn2)CC1 ZINC000372233280 168713984 /nfs/dbraw/zinc/71/39/84/168713984.db2.gz WPKFHNJIMFMTDQ-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN CNc1ncnc(Sc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040072568 213258334 /nfs/dbraw/zinc/25/83/34/213258334.db2.gz QTRFYVKKVZQIEV-UHFFFAOYSA-N 0 0 341.190 3.340 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C(C)C)C2CC2)c1 ZINC000183481737 235100902 /nfs/dbraw/zinc/10/09/02/235100902.db2.gz BTABEWHYYYYWDZ-UHFFFAOYSA-N 0 0 332.809 3.118 10 5 EGBERN O=C(c1cccs1)N1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC000036315196 213083455 /nfs/dbraw/zinc/08/34/55/213083455.db2.gz RNCDVMYZDZNDTE-OAHLLOKOSA-N 0 0 346.408 3.478 10 5 EGBERN CC[C@H](C)C(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000036009783 213054923 /nfs/dbraw/zinc/05/49/23/213054923.db2.gz MNTJRMDAXYRVNS-GUYCJALGSA-N 0 0 327.384 3.374 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374516440 168776926 /nfs/dbraw/zinc/77/69/26/168776926.db2.gz XUJOVIHFYCGNHU-GOSISDBHSA-N 0 0 328.343 3.235 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])ccc1-n1cc(C)c(C(F)(F)F)n1 ZINC000000066373 209397489 /nfs/dbraw/zinc/39/74/89/209397489.db2.gz GLHKGJKSJODPQN-UHFFFAOYSA-N 0 0 328.250 3.066 10 5 EGBERN Cc1cc(=O)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 ZINC000000059233 209394328 /nfs/dbraw/zinc/39/43/28/209394328.db2.gz JQHVJABIMBAUMK-UHFFFAOYSA-N 0 0 325.276 3.229 10 5 EGBERN Cc1c(C(=O)OCc2cc(-c3ccncc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000225606831 241949191 /nfs/dbraw/zinc/94/91/91/241949191.db2.gz PEJQCKDGMMCYDU-UHFFFAOYSA-N 0 0 338.323 3.045 10 5 EGBERN O=C(N[C@H]1CCCc2sc(Cl)cc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000344595896 284190219 /nfs/dbraw/zinc/19/02/19/284190219.db2.gz CVIAQNFRHBUWCW-VIFPVBQESA-N 0 0 325.777 3.445 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000110314005 220028774 /nfs/dbraw/zinc/02/87/74/220028774.db2.gz CMYOOCJLDFZCQT-SUMWQHHRSA-N 0 0 326.352 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000019170142 212003558 /nfs/dbraw/zinc/00/35/58/212003558.db2.gz HLXCOMYOIHJYGF-UHFFFAOYSA-N 0 0 347.415 3.126 10 5 EGBERN CC[C@H](NC(=O)c1occ2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000375841390 168832041 /nfs/dbraw/zinc/83/20/41/168832041.db2.gz RTPBBGHTRAZPBR-HNNXBMFYSA-N 0 0 330.340 3.142 10 5 EGBERN CCC1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111560652 220165262 /nfs/dbraw/zinc/16/52/62/220165262.db2.gz VYMYWXBSNKTQLJ-UHFFFAOYSA-N 0 0 343.383 3.135 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000375912507 168842379 /nfs/dbraw/zinc/84/23/79/168842379.db2.gz CAEXPYINOHWLSR-NSHDSACASA-N 0 0 342.399 3.359 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000111707219 220182739 /nfs/dbraw/zinc/18/27/39/220182739.db2.gz QAYIGIXSHHPDSC-AWEZNQCLSA-N 0 0 343.387 3.277 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408001045 284626106 /nfs/dbraw/zinc/62/61/06/284626106.db2.gz MEIUQYXAGGBQBY-RISCZKNCSA-N 0 0 346.408 3.451 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](c2ccccc2)[C@@H]2CCOC2)nc2sccn21 ZINC000378412881 169117084 /nfs/dbraw/zinc/11/70/84/169117084.db2.gz SFPPKSZUDRJLJU-CHWSQXEVSA-N 0 0 344.396 3.494 10 5 EGBERN O=C(c1cc2c(s1)CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408135009 169161085 /nfs/dbraw/zinc/16/10/85/169161085.db2.gz VTVLVRZYCRMGLF-UHFFFAOYSA-N 0 0 343.408 3.129 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000408199849 169165075 /nfs/dbraw/zinc/16/50/75/169165075.db2.gz XIYSBRAXPPECDX-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN Cc1nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000012747946 211444055 /nfs/dbraw/zinc/44/40/55/211444055.db2.gz VUDYAQSJMRBNQG-UHFFFAOYSA-N 0 0 327.296 3.062 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2ccsc2)c(Br)c1 ZINC000093433969 218226629 /nfs/dbraw/zinc/22/66/29/218226629.db2.gz CWNDPGWBJFVIGK-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000009156254 211047473 /nfs/dbraw/zinc/04/74/73/211047473.db2.gz NBHCWGVQVIJYBA-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN COC(=O)c1ccc(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000095411469 218348140 /nfs/dbraw/zinc/34/81/40/218348140.db2.gz YSGQBYVWOPEQIS-UHFFFAOYSA-N 0 0 335.316 3.070 10 5 EGBERN O=C(C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000095997061 218501873 /nfs/dbraw/zinc/50/18/73/218501873.db2.gz DJAOWMWKMXZRFO-JTQLQIEISA-N 0 0 335.747 3.478 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000153011163 224045020 /nfs/dbraw/zinc/04/50/20/224045020.db2.gz GKFPSKYDGMJRNI-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000408172631 291825761 /nfs/dbraw/zinc/82/57/61/291825761.db2.gz YWBJRWCCDUMYLA-LJQANCHMSA-N 0 0 339.395 3.285 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ccncc2c1I ZINC000019721562 285088197 /nfs/dbraw/zinc/08/81/97/285088197.db2.gz BQCQTTJQUBBHAS-UHFFFAOYSA-N 0 0 334.500 3.401 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000124303801 285091841 /nfs/dbraw/zinc/09/18/41/285091841.db2.gz KITBNCOVMMJHER-JTQLQIEISA-N 0 0 348.794 3.023 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2ccncn2)C1 ZINC000376401213 285101500 /nfs/dbraw/zinc/10/15/00/285101500.db2.gz OYVPKXIDUJOTIM-CQSZACIVSA-N 0 0 335.367 3.317 10 5 EGBERN COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCO2)c1 ZINC000154215312 224221005 /nfs/dbraw/zinc/22/10/05/224221005.db2.gz DCJVIDACBMUONO-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN COC(=O)CCCCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188103696 533366427 /nfs/dbraw/zinc/36/64/27/533366427.db2.gz OYGKBUCEXUQFGK-UHFFFAOYSA-N 0 0 336.388 3.181 10 5 EGBERN COc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1O ZINC000153992975 533395720 /nfs/dbraw/zinc/39/57/20/533395720.db2.gz REIWGLUYIUXJDW-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000014575154 140767798 /nfs/dbraw/zinc/76/77/98/140767798.db2.gz UFXKQUDGJBZYNM-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000101524927 140839862 /nfs/dbraw/zinc/83/98/62/140839862.db2.gz ZJGMPKHKVWTPKS-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN COCc1ccsc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000182600816 140986354 /nfs/dbraw/zinc/98/63/54/140986354.db2.gz NTCFNAJJSDQXNN-JTQLQIEISA-N 0 0 332.381 3.394 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000338041333 141079062 /nfs/dbraw/zinc/07/90/62/141079062.db2.gz NMZGSIICBRJFOU-UHFFFAOYSA-N 0 0 339.351 3.282 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)Nc2csc(C)n2)cc1SC ZINC000338130099 141098671 /nfs/dbraw/zinc/09/86/71/141098671.db2.gz GFCCYYWYRGVOIT-UHFFFAOYSA-N 0 0 339.398 3.343 10 5 EGBERN O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339537406 141126790 /nfs/dbraw/zinc/12/67/90/141126790.db2.gz HTKWFTJFVJXVDD-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000341173312 141131332 /nfs/dbraw/zinc/13/13/32/141131332.db2.gz GNLCLMDQGSSRCM-RYUDHWBXSA-N 0 0 332.306 3.293 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)n1 ZINC000352970047 141280115 /nfs/dbraw/zinc/28/01/15/141280115.db2.gz SXOVVBKOYIVAJQ-INIZCTEOSA-N 0 0 340.383 3.179 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1ccsc1 ZINC000356252160 141329139 /nfs/dbraw/zinc/32/91/39/141329139.db2.gz KGNRDOYIUWRARS-BBRMVZONSA-N 0 0 348.424 3.075 10 5 EGBERN CCOCc1nc([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)no1 ZINC000356292383 141337882 /nfs/dbraw/zinc/33/78/82/141337882.db2.gz JNHOHYKRVQJKDR-LBPRGKRZSA-N 0 0 348.403 3.489 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cncn2C)no1 ZINC000357934630 141360807 /nfs/dbraw/zinc/36/08/07/141360807.db2.gz LBSOEOJODRLDRY-SNVBAGLBSA-N 0 0 345.384 3.155 10 5 EGBERN COc1cc(OCC(=O)NC2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000127990339 143957637 /nfs/dbraw/zinc/95/76/37/143957637.db2.gz ROPCCLFSJJBBBY-UHFFFAOYSA-N 0 0 336.388 3.067 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000171646603 144009090 /nfs/dbraw/zinc/00/90/90/144009090.db2.gz XRUIVCHNDPOETD-CYBMUJFWSA-N 0 0 331.397 3.000 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000173410940 144041181 /nfs/dbraw/zinc/04/11/81/144041181.db2.gz CZRZXMUAGQITMA-SNVBAGLBSA-N 0 0 337.426 3.441 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nncs1 ZINC000184337723 144091298 /nfs/dbraw/zinc/09/12/98/144091298.db2.gz PMENKGVXZVTIGY-UHFFFAOYSA-N 0 0 338.414 3.223 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](c2ccco2)C1 ZINC000184468255 144093351 /nfs/dbraw/zinc/09/33/51/144093351.db2.gz BHFVIBFCNIXQIL-NHYWBVRUSA-N 0 0 329.356 3.383 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000184588040 144095410 /nfs/dbraw/zinc/09/54/10/144095410.db2.gz YSFASAYMOXTCPC-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN COc1cccc(NCCc2csc(N3CCCC3)n2)c1[N+](=O)[O-] ZINC000185475332 144113457 /nfs/dbraw/zinc/11/34/57/144113457.db2.gz ZGVCSZKXKMFIGP-UHFFFAOYSA-N 0 0 348.428 3.315 10 5 EGBERN COC(=O)c1scc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000186880733 144145682 /nfs/dbraw/zinc/14/56/82/144145682.db2.gz HUYGTTCTUVGRSQ-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187787587 144164606 /nfs/dbraw/zinc/16/46/06/144164606.db2.gz WDJQPZGTXZAQGJ-CVEARBPZSA-N 0 0 339.395 3.439 10 5 EGBERN CSc1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000188169450 144169820 /nfs/dbraw/zinc/16/98/20/144169820.db2.gz MMBOEGKTHOOZOL-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN Cc1ccc(CN[C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000363920798 144376980 /nfs/dbraw/zinc/37/69/80/144376980.db2.gz MSHAIVTUIFYSOB-ZDUSSCGKSA-N 0 0 329.404 3.072 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000364471685 144416116 /nfs/dbraw/zinc/41/61/16/144416116.db2.gz HVNGUECLSBOJAZ-LLVKDONJSA-N 0 0 346.416 3.051 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000374648621 144552534 /nfs/dbraw/zinc/55/25/34/144552534.db2.gz XFSMKLKGKDFJBE-VIFPVBQESA-N 0 0 340.307 3.106 10 5 EGBERN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341078659 155144250 /nfs/dbraw/zinc/14/42/50/155144250.db2.gz WNHTUXDFGYJGON-WDEREUQCSA-N 0 0 346.387 3.364 10 5 EGBERN COCc1csc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000115246263 152001475 /nfs/dbraw/zinc/00/14/75/152001475.db2.gz XAQTWSKJKDHCJS-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN Cc1cc(C(=O)N2CC=C(c3cccs3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000117989867 152122542 /nfs/dbraw/zinc/12/25/42/152122542.db2.gz JEBKBWMOGHUKAT-UHFFFAOYSA-N 0 0 343.408 3.476 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000341532452 155339236 /nfs/dbraw/zinc/33/92/36/155339236.db2.gz RQYOKUDCTYYTHV-UHFFFAOYSA-N 0 0 342.355 3.222 10 5 EGBERN O=C(NC1CCN(c2cccs2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000120512716 152281096 /nfs/dbraw/zinc/28/10/96/152281096.db2.gz ZKHZWUPUKHEPJM-UHFFFAOYSA-N 0 0 349.387 3.194 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000154185663 152573847 /nfs/dbraw/zinc/57/38/47/152573847.db2.gz GGFSVGCKGQTCOJ-GXFFZTMASA-N 0 0 329.809 3.110 10 5 EGBERN Cc1sc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1[N+](=O)[O-] ZINC000171295878 152796456 /nfs/dbraw/zinc/79/64/56/152796456.db2.gz UJQXHVGWVFKSAZ-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000190022956 153113500 /nfs/dbraw/zinc/11/35/00/153113500.db2.gz HSGFNWKNRQGPET-UHFFFAOYSA-N 0 0 347.321 3.381 10 5 EGBERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)cc([N+](=O)[O-])c1 ZINC000190415161 153139651 /nfs/dbraw/zinc/13/96/51/153139651.db2.gz GFADOZLEPINLNR-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000408205492 292282306 /nfs/dbraw/zinc/28/23/06/292282306.db2.gz KGMOYWQHZQZSCM-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000192910674 153265452 /nfs/dbraw/zinc/26/54/52/153265452.db2.gz JJOMMBQKKSGYLZ-CYBMUJFWSA-N 0 0 327.340 3.057 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000192909498 153266696 /nfs/dbraw/zinc/26/66/96/153266696.db2.gz QGKVRKDOAZHLHX-CYBMUJFWSA-N 0 0 339.351 3.276 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000193063409 153276674 /nfs/dbraw/zinc/27/66/74/153276674.db2.gz ABDKEDJSRAQHLA-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CC[C@@](C)(CCO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000230587884 153443643 /nfs/dbraw/zinc/44/36/43/153443643.db2.gz SZTGHAUUFQGPEY-LBPRGKRZSA-N 0 0 332.198 3.024 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCC[C@H]2C(F)F)c2c(c1)COCO2 ZINC000337420287 154345334 /nfs/dbraw/zinc/34/53/34/154345334.db2.gz UGCAAGGKGRYXGG-ZDUSSCGKSA-N 0 0 328.315 3.081 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 ZINC000337972044 154585706 /nfs/dbraw/zinc/58/57/06/154585706.db2.gz NNQUVHCCWVFWRT-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341031763 155126792 /nfs/dbraw/zinc/12/67/92/155126792.db2.gz VLHBETWCZZRRHW-ZDUSSCGKSA-N 0 0 326.352 3.467 10 5 EGBERN O=C(N[C@@H]1CCCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000341042164 155128279 /nfs/dbraw/zinc/12/82/79/155128279.db2.gz ZVLAVFTXVLXFQB-MRVPVSSYSA-N 0 0 334.319 3.239 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930064 155586244 /nfs/dbraw/zinc/58/62/44/155586244.db2.gz DGIHMUQQGRCLSE-WBMJQRKESA-N 0 0 345.399 3.137 10 5 EGBERN Cc1cc(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000345090330 155928606 /nfs/dbraw/zinc/92/86/06/155928606.db2.gz IESQTRIONSDHTE-SNVBAGLBSA-N 0 0 348.790 3.398 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1C(F)(F)F ZINC000352609801 156378576 /nfs/dbraw/zinc/37/85/76/156378576.db2.gz KYCXNXRSIFQWIP-UHFFFAOYSA-N 0 0 328.246 3.479 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCc2csc(N(C)C3CC3)n2)n1 ZINC000354532910 156565991 /nfs/dbraw/zinc/56/59/91/156565991.db2.gz BXRBTLGUSGZFNU-UHFFFAOYSA-N 0 0 334.401 3.241 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000354539146 156569240 /nfs/dbraw/zinc/56/92/40/156569240.db2.gz GHFVPEFVMLMGNN-GFCCVEGCSA-N 0 0 347.346 3.002 10 5 EGBERN COc1ncccc1-c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000356217174 156628628 /nfs/dbraw/zinc/62/86/28/156628628.db2.gz KUNSTNXLQNCZLP-UHFFFAOYSA-N 0 0 338.279 3.462 10 5 EGBERN Cc1ccc(CN(CCO)C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)o1 ZINC000358240574 156765491 /nfs/dbraw/zinc/76/54/91/156765491.db2.gz UJXKLDBSADKEIP-UHFFFAOYSA-N 0 0 346.383 3.056 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000365392246 157112222 /nfs/dbraw/zinc/11/22/22/157112222.db2.gz NQJIJTDLRYIZJK-INIZCTEOSA-N 0 0 343.408 3.229 10 5 EGBERN COCC[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368659909 157254921 /nfs/dbraw/zinc/25/49/21/157254921.db2.gz PSAPCZVATOAKOU-ZDUSSCGKSA-N 0 0 333.388 3.375 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066713054 161583767 /nfs/dbraw/zinc/58/37/67/161583767.db2.gz RGGJOOWKOMAROO-KSSFIOAISA-N 0 0 340.379 3.126 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000077395187 161741893 /nfs/dbraw/zinc/74/18/93/161741893.db2.gz VVQHBZOYGOOSCS-UHFFFAOYSA-N 0 0 332.809 3.120 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109089705 162091666 /nfs/dbraw/zinc/09/16/66/162091666.db2.gz LPHYERVTIRVLCJ-KBPBESRZSA-N 0 0 332.306 3.293 10 5 EGBERN COc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc1OC ZINC000109466003 162100855 /nfs/dbraw/zinc/10/08/55/162100855.db2.gz USXHZXVELHXDDE-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000113136080 162202528 /nfs/dbraw/zinc/20/25/28/162202528.db2.gz GPJUAXOHXDNUAS-INIZCTEOSA-N 0 0 339.395 3.454 10 5 EGBERN C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000248560809 163015260 /nfs/dbraw/zinc/01/52/60/163015260.db2.gz JKJDPAHBYXSWIB-IUIKQTSFSA-N 0 0 336.363 3.007 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)s1 ZINC000338458712 163231451 /nfs/dbraw/zinc/23/14/51/163231451.db2.gz LQFQHODOCXAQPZ-UHFFFAOYSA-N 0 0 346.290 3.392 10 5 EGBERN Cc1cc(NCc2cc(C(N)=O)co2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338708977 163326372 /nfs/dbraw/zinc/32/63/72/163326372.db2.gz PRTWMPGRYSZFKC-UHFFFAOYSA-N 0 0 343.261 3.226 10 5 EGBERN CC1(C)C[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000338719094 163329786 /nfs/dbraw/zinc/32/97/86/163329786.db2.gz CJARHNCGMFRGNC-GFCCVEGCSA-N 0 0 334.763 3.005 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000340125851 163487565 /nfs/dbraw/zinc/48/75/65/163487565.db2.gz ROQYJKZEJWMSAK-UHFFFAOYSA-N 0 0 332.331 3.161 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1C ZINC000354750865 166022764 /nfs/dbraw/zinc/02/27/64/166022764.db2.gz ANXXXUIDHIGNFI-HZPDHXFCSA-N 0 0 346.408 3.046 10 5 EGBERN CC(=O)c1cc(NCCCNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000341849868 163725096 /nfs/dbraw/zinc/72/50/96/163725096.db2.gz AQRUMRCECNOMLR-UHFFFAOYSA-N 0 0 341.367 3.029 10 5 EGBERN CCOc1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000341945052 163744728 /nfs/dbraw/zinc/74/47/28/163744728.db2.gz HAXFMPFWDSGHON-UHFFFAOYSA-N 0 0 339.351 3.405 10 5 EGBERN CCc1nc(C)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000343842252 164049142 /nfs/dbraw/zinc/04/91/42/164049142.db2.gz IXZOOFYKSXDBIK-UHFFFAOYSA-N 0 0 341.339 3.382 10 5 EGBERN CC(=O)N(C)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000345535400 164212372 /nfs/dbraw/zinc/21/23/72/164212372.db2.gz JTRKVAGJKLCNSE-UHFFFAOYSA-N 0 0 338.323 3.295 10 5 EGBERN O=C(NCCC1(F)CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000345765350 164261164 /nfs/dbraw/zinc/26/11/64/164261164.db2.gz XHJQSABDEVMJGS-UHFFFAOYSA-N 0 0 335.379 3.207 10 5 EGBERN Cc1cccnc1-c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000345946085 164301142 /nfs/dbraw/zinc/30/11/42/164301142.db2.gz YCWFTPJHNNIZFQ-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1ccc(-c2noc(-c3cn4ccnc4s3)n2)cc1[N+](=O)[O-] ZINC000345984685 164309805 /nfs/dbraw/zinc/30/98/05/164309805.db2.gz ODURLHZGLQTWRT-UHFFFAOYSA-N 0 0 327.325 3.329 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCCC(F)(F)C2)s1 ZINC000354882221 166055105 /nfs/dbraw/zinc/05/51/05/166055105.db2.gz SUTHVNIHUZYSSD-SSDOTTSWSA-N 0 0 340.373 3.050 10 5 EGBERN CS(=O)(=O)c1ccc(NC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000349902371 164970754 /nfs/dbraw/zinc/97/07/54/164970754.db2.gz IEIBWLOHRKVWRQ-YVMONPNESA-N 0 0 332.381 3.124 10 5 EGBERN CO[C@](C)(c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000350428341 165049450 /nfs/dbraw/zinc/04/94/50/165049450.db2.gz CBWUWNYZMCGAQH-KRWDZBQOSA-N 0 0 346.387 3.294 10 5 EGBERN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc(OC)c1 ZINC000351982556 165177986 /nfs/dbraw/zinc/17/79/86/165177986.db2.gz DIQFDJGZOCEIGY-UHFFFAOYSA-N 0 0 346.383 3.253 10 5 EGBERN CCOc1cc(CCO)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352036558 165203921 /nfs/dbraw/zinc/20/39/21/165203921.db2.gz HSYZWKMZPLZZSH-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN COc1cc(CSCc2nc([C@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000352039627 165205545 /nfs/dbraw/zinc/20/55/45/165205545.db2.gz HUPNUANHXVLFOM-VIFPVBQESA-N 0 0 339.373 3.127 10 5 EGBERN COc1ccc(C(C)=O)cc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352332901 165348808 /nfs/dbraw/zinc/34/88/08/165348808.db2.gz JSGNXSJPQGJXAR-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196070 166129129 /nfs/dbraw/zinc/12/91/29/166129129.db2.gz HABLBWNPQXHRAD-MWLCHTKSSA-N 0 0 348.321 3.385 10 5 EGBERN COC(=O)c1cc(CNc2cccc(OC)c2[N+](=O)[O-])ccc1OC ZINC000355452798 166205654 /nfs/dbraw/zinc/20/56/54/166205654.db2.gz CUGMIRZMCMGAEB-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN O=[N+]([O-])c1c[nH]c(-c2nc(Cc3ccccc3Br)no2)c1 ZINC000355887682 166337998 /nfs/dbraw/zinc/33/79/98/166337998.db2.gz HFQTUVQTLQBPCP-UHFFFAOYSA-N 0 0 349.144 3.326 10 5 EGBERN C[C@@H]1C[C@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357463956 166687830 /nfs/dbraw/zinc/68/78/30/166687830.db2.gz FTUAFOCSQGRDMV-NXEZZACHSA-N 0 0 328.328 3.409 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000357539372 166705579 /nfs/dbraw/zinc/70/55/79/166705579.db2.gz PNEBZRMGNIAMSJ-MGPQQGTHSA-N 0 0 331.416 3.312 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000358929388 167009591 /nfs/dbraw/zinc/00/95/91/167009591.db2.gz QJVBEIWTGZZQJM-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc(F)cn4)no3)c2c1 ZINC000359010237 167036537 /nfs/dbraw/zinc/03/65/37/167036537.db2.gz OMTOWSSVXROJCX-UHFFFAOYSA-N 0 0 325.259 3.327 10 5 EGBERN COc1cccc([C@@H]2CN(c3nc(C)cc(C)c3[N+](=O)[O-])CCO2)c1 ZINC000359095104 167065672 /nfs/dbraw/zinc/06/56/72/167065672.db2.gz JPEQEYWYLBSRKP-INIZCTEOSA-N 0 0 343.383 3.193 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359138710 167078457 /nfs/dbraw/zinc/07/84/57/167078457.db2.gz DSALIMRGMSLOOA-RDTXWAMCSA-N 0 0 331.416 3.436 10 5 EGBERN Cc1c(CNC(=O)NCCC[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000359534327 167182120 /nfs/dbraw/zinc/18/21/20/167182120.db2.gz RGONARSVCRDFQN-WMLDXEAASA-N 0 0 349.431 3.034 10 5 EGBERN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000360700615 167391098 /nfs/dbraw/zinc/39/10/98/167391098.db2.gz UAXOMRVUDUFPGK-UKRRQHHQSA-N 0 0 325.368 3.083 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)c1ccnc(C(F)(F)F)c1 ZINC000361088352 167516184 /nfs/dbraw/zinc/51/61/84/167516184.db2.gz QWBBVDWKXCSLRA-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000366275231 168101143 /nfs/dbraw/zinc/10/11/43/168101143.db2.gz WBMSDUWXCSLPIT-ZBFHGGJFSA-N 0 0 340.807 3.018 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000367208452 168193215 /nfs/dbraw/zinc/19/32/15/168193215.db2.gz WMQXWKRLNRBTNW-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000367569158 168243101 /nfs/dbraw/zinc/24/31/01/168243101.db2.gz FVPLXMLIBJNNCU-GUYCJALGSA-N 0 0 344.342 3.242 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)(F)F)cc1I ZINC000166174007 226151909 /nfs/dbraw/zinc/15/19/09/226151909.db2.gz PHQOMGIOFUSAQA-UHFFFAOYSA-N 0 0 333.003 3.098 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000120647027 221636280 /nfs/dbraw/zinc/63/62/80/221636280.db2.gz RCCWMIKCNBFZQU-CQSZACIVSA-N 0 0 336.344 3.009 10 5 EGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCS1 ZINC000171577601 227150810 /nfs/dbraw/zinc/15/08/10/227150810.db2.gz CJFLSXJYJXHUHK-ZDUSSCGKSA-N 0 0 349.456 3.163 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000174362793 265044879 /nfs/dbraw/zinc/04/48/79/265044879.db2.gz YPERDZGARGUTAA-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176684213 265197649 /nfs/dbraw/zinc/19/76/49/265197649.db2.gz FCMHTXSJOOGSGY-DLBZAZTESA-N 0 0 349.431 3.286 10 5 EGBERN CCC(CC)[C@@H](O)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176706704 265197759 /nfs/dbraw/zinc/19/77/59/265197759.db2.gz FYEUSOCLUAMRTM-CVEARBPZSA-N 0 0 337.420 3.142 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C(C)C ZINC000179327850 265372255 /nfs/dbraw/zinc/37/22/55/265372255.db2.gz COUKJBHVQZMDPY-GFCCVEGCSA-N 0 0 340.445 3.355 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1O ZINC000184880019 265478402 /nfs/dbraw/zinc/47/84/02/265478402.db2.gz VFDIQASYEYMXMO-HNNXBMFYSA-N 0 0 342.395 3.228 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(COc2cccc(F)c2)no1 ZINC000188113417 265652391 /nfs/dbraw/zinc/65/23/91/265652391.db2.gz LWBPZCPSBUROPH-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000188188235 265659308 /nfs/dbraw/zinc/65/93/08/265659308.db2.gz ICJLWCJSLZQZBD-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000191578632 265915625 /nfs/dbraw/zinc/91/56/25/265915625.db2.gz NHPXTJDCMSRXDH-UHFFFAOYSA-N 0 0 346.240 3.221 10 5 EGBERN CCOc1ccccc1[C@@H](CC)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191588649 265917571 /nfs/dbraw/zinc/91/75/71/265917571.db2.gz AWYIRGLVYUPJEI-CYBMUJFWSA-N 0 0 346.387 3.091 10 5 EGBERN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000192675253 265981259 /nfs/dbraw/zinc/98/12/59/265981259.db2.gz WOBRAYSIKXMLCI-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000193637647 266050140 /nfs/dbraw/zinc/05/01/40/266050140.db2.gz GRKABLDTDALMRH-JTQLQIEISA-N 0 0 337.763 3.439 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000194147948 266093505 /nfs/dbraw/zinc/09/35/05/266093505.db2.gz ADEYQQFCQMTGHP-DZGCQCFKSA-N 0 0 346.431 3.219 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000231327523 266206304 /nfs/dbraw/zinc/20/63/04/266206304.db2.gz YRMGYSZORKCNEE-SKDRFNHKSA-N 0 0 329.194 3.320 10 5 EGBERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270856509 266567663 /nfs/dbraw/zinc/56/76/63/266567663.db2.gz ZACBDPRGJNPAAD-WCQYABFASA-N 0 0 346.387 3.097 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000273247373 267005023 /nfs/dbraw/zinc/00/50/23/267005023.db2.gz IPIXGMJXMMHQLR-BALAJYPESA-N 0 0 332.400 3.320 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000273350285 267025181 /nfs/dbraw/zinc/02/51/81/267025181.db2.gz SWZWVLMYIIJAMO-ZKQHCESOSA-N 0 0 343.387 3.117 10 5 EGBERN COc1cc(OC)c(CNc2cccc(OC)c2[N+](=O)[O-])c(OC)c1 ZINC000274583843 267258396 /nfs/dbraw/zinc/25/83/96/267258396.db2.gz HOYHPPFDZUXBOG-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000359107185 274686461 /nfs/dbraw/zinc/68/64/61/274686461.db2.gz ZCZJMUVOMJQMCO-UHFFFAOYSA-N 0 0 344.390 3.068 10 5 EGBERN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596689 275129450 /nfs/dbraw/zinc/12/94/50/275129450.db2.gz QPLOQHOJXRJAGV-SNVBAGLBSA-N 0 0 328.210 3.254 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000103039832 275160157 /nfs/dbraw/zinc/16/01/57/275160157.db2.gz GLUZZNGHCZGNBU-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000183173916 275210649 /nfs/dbraw/zinc/21/06/49/275210649.db2.gz NVUWUJIBTPWZCB-ABAIWWIYSA-N 0 0 342.399 3.242 10 5 EGBERN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194831830 275227440 /nfs/dbraw/zinc/22/74/40/275227440.db2.gz BCKXABFHDIXSKW-SCZZXKLOSA-N 0 0 332.278 3.225 10 5 EGBERN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCCC1 ZINC000278676979 275264821 /nfs/dbraw/zinc/26/48/21/275264821.db2.gz LPQRDPXXIZKFJQ-UHFFFAOYSA-N 0 0 328.372 3.393 10 5 EGBERN CC(C)c1nn(C)cc1Nc1ncc([N+](=O)[O-])cc1Br ZINC000280167320 275415404 /nfs/dbraw/zinc/41/54/04/275415404.db2.gz AUVKVWMVDIFAHU-UHFFFAOYSA-N 0 0 340.181 3.353 10 5 EGBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000064819964 275476335 /nfs/dbraw/zinc/47/63/35/275476335.db2.gz APEJJOGYEXGOIU-KRWDZBQOSA-N 0 0 343.314 3.147 10 5 EGBERN CC(C)(CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000280921216 275506804 /nfs/dbraw/zinc/50/68/04/275506804.db2.gz IHKDOVFZWDHGHB-UHFFFAOYSA-N 0 0 344.293 3.066 10 5 EGBERN Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282509368 275641835 /nfs/dbraw/zinc/64/18/35/275641835.db2.gz PIOBSMJBICPDOC-GFCCVEGCSA-N 0 0 349.778 3.181 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cc[nH]n1 ZINC000283927498 275761232 /nfs/dbraw/zinc/76/12/32/275761232.db2.gz HASRXQNGZKWOPI-CYBMUJFWSA-N 0 0 335.751 3.340 10 5 EGBERN C[C@]12CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1C2(Cl)Cl ZINC000286149705 275958316 /nfs/dbraw/zinc/95/83/16/275958316.db2.gz BCVSDXKGTFOXCW-YPMHNXCESA-N 0 0 341.198 3.491 10 5 EGBERN COc1cccc([C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCO2)c1 ZINC000286249492 275969646 /nfs/dbraw/zinc/96/96/46/275969646.db2.gz PBMOAJHPAGEACU-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN O=c1[nH]c(N2CC[C@@H](CC(F)(F)F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000287581046 276135943 /nfs/dbraw/zinc/13/59/43/276135943.db2.gz DOQMRIQJAVSMLV-QMMMGPOBSA-N 0 0 342.277 3.022 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CC(F)(F)F)CC1 ZINC000288482305 276218957 /nfs/dbraw/zinc/21/89/57/276218957.db2.gz PJMZVCVXXRGDSR-UHFFFAOYSA-N 0 0 345.321 3.236 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)n1 ZINC000289102926 276290844 /nfs/dbraw/zinc/29/08/44/276290844.db2.gz KZMJTTQQSKVSDZ-UHFFFAOYSA-N 0 0 347.762 3.358 10 5 EGBERN CO[C@H](C)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000289870455 276409774 /nfs/dbraw/zinc/40/97/74/276409774.db2.gz DFPAGVYSKDOHDE-HTQZYQBOSA-N 0 0 335.282 3.159 10 5 EGBERN COc1ccc(CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291436745 276643408 /nfs/dbraw/zinc/64/34/08/276643408.db2.gz ZNTLNMJLIBGWIA-MRXNPFEDSA-N 0 0 345.399 3.078 10 5 EGBERN CC(C)(C)n1ncnc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291879164 276702872 /nfs/dbraw/zinc/70/28/72/276702872.db2.gz IWINGZWXKJZWNI-UHFFFAOYSA-N 0 0 326.360 3.102 10 5 EGBERN CC(C)CC[C@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133110222 277367375 /nfs/dbraw/zinc/36/73/75/277367375.db2.gz CXUZSMHKVZBYOU-CYBMUJFWSA-N 0 0 330.388 3.008 10 5 EGBERN CO[C@@H](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(F)(F)F ZINC000355559379 277627330 /nfs/dbraw/zinc/62/73/30/277627330.db2.gz MWRYINRNLJHGEY-LBPRGKRZSA-N 0 0 349.309 3.301 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1OC ZINC000360650586 278633405 /nfs/dbraw/zinc/63/34/05/278633405.db2.gz YSUMHGUGEOZPSY-CHWSQXEVSA-N 0 0 326.418 3.288 10 5 EGBERN CC(C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000359013544 278998528 /nfs/dbraw/zinc/99/85/28/278998528.db2.gz BDOPOVZAPXWDTR-GFCCVEGCSA-N 0 0 334.401 3.382 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)cc1 ZINC000348883351 279013136 /nfs/dbraw/zinc/01/31/36/279013136.db2.gz CBBSPKVEKIEPJO-GFCCVEGCSA-N 0 0 325.368 3.252 10 5 EGBERN CCO[C@H]1C[C@H](N(C)c2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000340252112 279928948 /nfs/dbraw/zinc/92/89/48/279928948.db2.gz FUXFHSKLZHGBMU-STQMWFEESA-N 0 0 347.419 3.058 10 5 EGBERN COc1ccc2c(c1)OCCN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000338489512 295267476 /nfs/dbraw/zinc/26/74/76/295267476.db2.gz LVPFACAFFHTXFY-UHFFFAOYSA-N 0 0 348.330 3.150 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000193383138 295356808 /nfs/dbraw/zinc/35/68/08/295356808.db2.gz HESGRSOXDVAALB-UHFFFAOYSA-N 0 0 326.331 3.360 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3ccco3)cc2N1 ZINC000116262491 304637028 /nfs/dbraw/zinc/63/70/28/304637028.db2.gz MLRREPASBVENFR-ZDUSSCGKSA-N 0 0 327.340 3.414 10 5 EGBERN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370537156 302966711 /nfs/dbraw/zinc/96/67/11/302966711.db2.gz ARRNUOOCXIUWMD-INIZCTEOSA-N 0 0 328.372 3.086 10 5 EGBERN O=c1c2ccccc2nc2ccc(N3CCC[C@@H]4CCCC[C@H]43)nn21 ZINC000230033649 304816583 /nfs/dbraw/zinc/81/65/83/304816583.db2.gz KEIZMKJWGWMDSY-WMLDXEAASA-N 0 0 334.423 3.402 10 5 EGBERN CCc1nn(C)c(N2CC(c3ccccc3)(C(C)C)C2)c1[N+](=O)[O-] ZINC000413554044 309037137 /nfs/dbraw/zinc/03/71/37/309037137.db2.gz MZPOJRMRFFILAX-UHFFFAOYSA-N 0 0 328.416 3.305 10 5 EGBERN C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000080802013 307435335 /nfs/dbraw/zinc/43/53/35/307435335.db2.gz AJQQKJWKKLAXCG-QWRGUYRKSA-N 0 0 340.426 3.127 10 5 EGBERN CC[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000089305503 307448312 /nfs/dbraw/zinc/44/83/12/307448312.db2.gz SUCCLZALQQOMOY-OAHLLOKOSA-N 0 0 331.372 3.052 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000120558590 307508061 /nfs/dbraw/zinc/50/80/61/307508061.db2.gz ZIKAHTSEXPGSMC-UHFFFAOYSA-N 0 0 341.367 3.056 10 5 EGBERN COC(=O)c1ccc(OCc2nc3cc(F)ccc3o2)c([N+](=O)[O-])c1 ZINC000120622349 307508748 /nfs/dbraw/zinc/50/87/48/307508748.db2.gz LOHWIXDLYFNKNW-UHFFFAOYSA-N 0 0 346.270 3.241 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000121459482 307519416 /nfs/dbraw/zinc/51/94/16/307519416.db2.gz DNODUCWCDACVMT-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000413988797 309055507 /nfs/dbraw/zinc/05/55/07/309055507.db2.gz NZHDVSSDFIUUQU-SSDOTTSWSA-N 0 0 340.248 3.120 10 5 EGBERN CC(C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000413994154 309055712 /nfs/dbraw/zinc/05/57/12/309055712.db2.gz GQSOWNZOSRIHOR-LBPRGKRZSA-N 0 0 329.278 3.393 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000124091872 307545520 /nfs/dbraw/zinc/54/55/20/307545520.db2.gz BFZPJOSRPTYLGC-UHFFFAOYSA-N 0 0 341.367 3.067 10 5 EGBERN COc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000124214340 307546585 /nfs/dbraw/zinc/54/65/85/307546585.db2.gz YMRRHDZVGLGROG-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125414679 307556065 /nfs/dbraw/zinc/55/60/65/307556065.db2.gz KJSGXPGVCJHABI-ZDUSSCGKSA-N 0 0 326.780 3.164 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000135150318 307698727 /nfs/dbraw/zinc/69/87/27/307698727.db2.gz GJESHXFCOMUKGE-PXAZEXFGSA-N 0 0 341.367 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000135429048 307702720 /nfs/dbraw/zinc/70/27/20/307702720.db2.gz KGVNSPXVVGEQDW-UHFFFAOYSA-N 0 0 345.786 3.413 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000147319733 307721929 /nfs/dbraw/zinc/72/19/29/307721929.db2.gz BTASOWCQYSQLNG-GFCCVEGCSA-N 0 0 342.351 3.165 10 5 EGBERN CCC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000151148523 307728944 /nfs/dbraw/zinc/72/89/44/307728944.db2.gz QBYIAEBYIOOLKP-UHFFFAOYSA-N 0 0 327.178 3.420 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000151940343 307742083 /nfs/dbraw/zinc/74/20/83/307742083.db2.gz UIYQVPRPDZCPIG-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN CCc1ccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1F ZINC000152470107 307753110 /nfs/dbraw/zinc/75/31/10/307753110.db2.gz AKQZPYGMXGNXSQ-UHFFFAOYSA-N 0 0 347.346 3.356 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000152532537 307754658 /nfs/dbraw/zinc/75/46/58/307754658.db2.gz LYUMBIRSTSNKGC-UHFFFAOYSA-N 0 0 325.415 3.044 10 5 EGBERN COc1cc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000154536640 307796161 /nfs/dbraw/zinc/79/61/61/307796161.db2.gz VVSSKLKTYQRYKI-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CO2 ZINC000156152281 307827672 /nfs/dbraw/zinc/82/76/72/307827672.db2.gz KLCPPPIFTMDQPA-INIZCTEOSA-N 0 0 337.335 3.248 10 5 EGBERN CC(C)Cc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000160246435 307887054 /nfs/dbraw/zinc/88/70/54/307887054.db2.gz DTGTYDPJFGEMLV-LBPRGKRZSA-N 0 0 330.388 3.018 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC/C=C\c1ccccc1 ZINC000255438592 308050542 /nfs/dbraw/zinc/05/05/42/308050542.db2.gz BELCTPFMXYXKQL-TWGQIWQCSA-N 0 0 326.352 3.193 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000255728458 308058950 /nfs/dbraw/zinc/05/89/50/308058950.db2.gz VTLMZOBGJFUSKI-DAXSKMNVSA-N 0 0 348.362 3.224 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414473106 309082666 /nfs/dbraw/zinc/08/26/66/309082666.db2.gz PZRBXUNJCFGVLB-GUYCJALGSA-N 0 0 346.408 3.340 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293393620 308126710 /nfs/dbraw/zinc/12/67/10/308126710.db2.gz GAYWZTVMWWVYHR-ZFWWWQNUSA-N 0 0 340.807 3.112 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000414504417 309085101 /nfs/dbraw/zinc/08/51/01/309085101.db2.gz NXJRCRZXVVJAST-OKILXGFUSA-N 0 0 327.388 3.017 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294825072 308261394 /nfs/dbraw/zinc/26/13/94/308261394.db2.gz DCTILNCHHIZEEP-GXTWGEPZSA-N 0 0 326.780 3.070 10 5 EGBERN C[C@H](c1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1)C(F)(F)F ZINC000296107422 308394132 /nfs/dbraw/zinc/39/41/32/308394132.db2.gz UZOPSLZKCQCLKO-SNVBAGLBSA-N 0 0 326.274 3.471 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296140866 308397680 /nfs/dbraw/zinc/39/76/80/308397680.db2.gz PMSGEDRQPWHGJU-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000298175695 308590386 /nfs/dbraw/zinc/59/03/86/308590386.db2.gz CRRUWNQRQKBOEL-DTWKUNHWSA-N 0 0 331.294 3.163 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000299684275 308684314 /nfs/dbraw/zinc/68/43/14/308684314.db2.gz PXPMFJRBYLHXAT-OAHLLOKOSA-N 0 0 346.408 3.351 10 5 EGBERN Nc1nc2c(s1)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000301076108 308687282 /nfs/dbraw/zinc/68/72/82/308687282.db2.gz JCEGOXHZECNEOY-UHFFFAOYSA-N 0 0 344.318 3.215 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000301257729 308693757 /nfs/dbraw/zinc/69/37/57/308693757.db2.gz FBNQXLORLNRLQQ-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN Cc1cc(NC[C@@H](O)C2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301291442 308695244 /nfs/dbraw/zinc/69/52/44/308695244.db2.gz PIVWRTUBTXUEOQ-MRXNPFEDSA-N 0 0 342.399 3.323 10 5 EGBERN Cc1ccc(C[C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301340395 308696939 /nfs/dbraw/zinc/69/69/39/308696939.db2.gz PXISFAXTAWQWRG-SECBINFHSA-N 0 0 347.396 3.339 10 5 EGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301504216 308702844 /nfs/dbraw/zinc/70/28/44/308702844.db2.gz YXWHXEDSFVNDNV-GDBMZVCRSA-N 0 0 333.413 3.202 10 5 EGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301503829 308702868 /nfs/dbraw/zinc/70/28/68/308702868.db2.gz YSVYBJNHMIYTCS-HZPDHXFCSA-N 0 0 333.413 3.202 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301579896 308706037 /nfs/dbraw/zinc/70/60/37/308706037.db2.gz UMAKXMIHVIDMLO-FNIMQGLVSA-N 0 0 344.408 3.234 10 5 EGBERN Cc1nc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000301652663 308709232 /nfs/dbraw/zinc/70/92/32/308709232.db2.gz HFLFDRFSQMYJOC-INIZCTEOSA-N 0 0 331.347 3.140 10 5 EGBERN CO[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301754401 308713920 /nfs/dbraw/zinc/71/39/20/308713920.db2.gz CNKUQFCZPGZDNZ-SCZZXKLOSA-N 0 0 330.182 3.122 10 5 EGBERN CO[C@@H]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301794325 308715596 /nfs/dbraw/zinc/71/55/96/308715596.db2.gz SMHYKQJLLPTMKO-VHSXEESVSA-N 0 0 330.182 3.122 10 5 EGBERN CCc1cnc(CCNc2cc(OC)c([N+](=O)[O-])cc2F)s1 ZINC000301899283 308720616 /nfs/dbraw/zinc/72/06/16/308720616.db2.gz XTMFHDIWQQKWDQ-UHFFFAOYSA-N 0 0 325.365 3.416 10 5 EGBERN CN(CC1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000301924363 308721929 /nfs/dbraw/zinc/72/19/29/308721929.db2.gz GPHQDETZGGWNNP-UHFFFAOYSA-N 0 0 329.194 3.220 10 5 EGBERN CSc1cc(C)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301985832 308724154 /nfs/dbraw/zinc/72/41/54/308724154.db2.gz ZEHPAHYBOPPITQ-UHFFFAOYSA-N 0 0 329.385 3.280 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000302054383 308727265 /nfs/dbraw/zinc/72/72/65/308727265.db2.gz PVLPDSCPHPPXGH-PIGZYNQJSA-N 0 0 328.372 3.260 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000302058258 308727421 /nfs/dbraw/zinc/72/74/21/308727421.db2.gz AWBFPCFLUSXINW-JTQLQIEISA-N 0 0 340.339 3.431 10 5 EGBERN C[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000302066486 308727896 /nfs/dbraw/zinc/72/78/96/308727896.db2.gz ULFVQKSLIPHONW-KPZWWZAWSA-N 0 0 346.358 3.193 10 5 EGBERN COC(=O)c1cc(NC2Cc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000302141420 308730612 /nfs/dbraw/zinc/73/06/12/308730612.db2.gz HAEPKBQBVXBEJK-UHFFFAOYSA-N 0 0 326.352 3.269 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[S@]1=O ZINC000302208325 308733438 /nfs/dbraw/zinc/73/34/38/308733438.db2.gz AZZQHQFJSTWDOC-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[S@@]1=O ZINC000302221090 308733978 /nfs/dbraw/zinc/73/39/78/308733978.db2.gz NNTVHDTWTWMXQH-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN CO[C@H]1CC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737289 308743877 /nfs/dbraw/zinc/74/38/77/308743877.db2.gz BMWHLOKRUUXTLH-ZFWWWQNUSA-N 0 0 328.372 3.340 10 5 EGBERN COC(=O)c1cnc(N[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302771859 308744946 /nfs/dbraw/zinc/74/49/46/308744946.db2.gz NFRWMVJVPGBERC-QMMMGPOBSA-N 0 0 337.282 3.228 10 5 EGBERN Cc1cc(C)c(N2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000302780194 308745168 /nfs/dbraw/zinc/74/51/68/308745168.db2.gz REFMPIBOCSOHGT-AWEZNQCLSA-N 0 0 340.383 3.132 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000342130427 308880497 /nfs/dbraw/zinc/88/04/97/308880497.db2.gz OYWGHQOMRDDKPJ-JTQLQIEISA-N 0 0 334.401 3.309 10 5 EGBERN COCC(C)(C)CC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000411916572 308957769 /nfs/dbraw/zinc/95/77/69/308957769.db2.gz VWIIHBJOSDBHAJ-UHFFFAOYSA-N 0 0 346.387 3.090 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCCOC2)C1 ZINC000412174055 308972949 /nfs/dbraw/zinc/97/29/49/308972949.db2.gz WMBCJVHTCKBTSP-SCTDSRPQSA-N 0 0 344.411 3.118 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412193133 308974066 /nfs/dbraw/zinc/97/40/66/308974066.db2.gz DYAIZHAAIWJPPE-BZZMCLGOSA-N 0 0 346.427 3.146 10 5 EGBERN CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412211550 308975001 /nfs/dbraw/zinc/97/50/01/308975001.db2.gz IIUSCXXGZSESOZ-UHFFFAOYSA-N 0 0 333.344 3.493 10 5 EGBERN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC(C)(C)C1 ZINC000413157602 309018676 /nfs/dbraw/zinc/01/86/76/309018676.db2.gz QGGWGRVINSUIIB-UHFFFAOYSA-N 0 0 335.404 3.324 10 5 EGBERN COCC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000413169715 309019357 /nfs/dbraw/zinc/01/93/57/309019357.db2.gz YKKSYPXZGQMRCE-UHFFFAOYSA-N 0 0 332.303 3.197 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(C(F)F)CC1 ZINC000413454925 309032790 /nfs/dbraw/zinc/03/27/90/309032790.db2.gz WHIMVBQMCYAZKE-UHFFFAOYSA-N 0 0 327.331 3.190 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](C3CCC3)C2)c(C(F)(F)F)c1 ZINC000413482845 309033862 /nfs/dbraw/zinc/03/38/62/309033862.db2.gz WGHMKISPRPXIRO-LBPRGKRZSA-N 0 0 331.294 3.014 10 5 EGBERN COc1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413485650 309034016 /nfs/dbraw/zinc/03/40/16/309034016.db2.gz WUCFKTSKTAPCRC-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN Cc1nn(CCC(=O)N(c2ccccc2)[C@@H]2C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000415892442 309146398 /nfs/dbraw/zinc/14/63/98/309146398.db2.gz NYAOSJNQKHLLQY-BLLLJJGKSA-N 0 0 342.399 3.240 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416553027 309173452 /nfs/dbraw/zinc/17/34/52/309173452.db2.gz CDYJFRAUAPWANP-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN CCc1[nH]nc(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1[N+](=O)[O-] ZINC000420497975 309288404 /nfs/dbraw/zinc/28/84/04/309288404.db2.gz BJMGOKHNRYKDTO-SNVBAGLBSA-N 0 0 327.344 3.391 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000420616298 309290244 /nfs/dbraw/zinc/29/02/44/309290244.db2.gz GUUDFXDLRNMRIS-ZIAGYGMSSA-N 0 0 335.404 3.103 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@]23CCOC3)nc1-c1ccc(F)cc1 ZINC000420643852 309291395 /nfs/dbraw/zinc/29/13/95/309291395.db2.gz RJBMINKRCABIDF-KRWDZBQOSA-N 0 0 329.331 3.165 10 5 EGBERN Cc1c(Cl)c(CNCCc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000421343842 309319250 /nfs/dbraw/zinc/31/92/50/309319250.db2.gz NXALWCGQJWLKKX-UHFFFAOYSA-N 0 0 343.214 3.276 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000421678208 309334253 /nfs/dbraw/zinc/33/42/53/309334253.db2.gz ZAFCKANSFKBGEX-NXEZZACHSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@@H](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422194463 309357549 /nfs/dbraw/zinc/35/75/49/309357549.db2.gz YVWMLLHRJOOZDD-RHSMWYFYSA-N 0 0 349.431 3.240 10 5 EGBERN O=c1[nH]c(N[C@@H]2CCC[C@H](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000425295659 309471671 /nfs/dbraw/zinc/47/16/71/309471671.db2.gz FVPBEYWMLBIJTC-NWDGAFQWSA-N 0 0 328.372 3.046 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1c2ccccc2CC[C@@H]1CCO ZINC000425481535 309482339 /nfs/dbraw/zinc/48/23/39/309482339.db2.gz GFIQBGVEHLCCJG-CQSZACIVSA-N 0 0 330.359 3.438 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000425632614 309488830 /nfs/dbraw/zinc/48/88/30/309488830.db2.gz ROCWGCMMRLJTKM-IUODEOHRSA-N 0 0 348.399 3.177 10 5 EGBERN Cn1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000426232107 309502180 /nfs/dbraw/zinc/50/21/80/309502180.db2.gz LKHOXSXUFUQWIX-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN COC1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000426858017 309518700 /nfs/dbraw/zinc/51/87/00/309518700.db2.gz KMJWIIHCNRISHL-UHFFFAOYSA-N 0 0 326.780 3.183 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000427276963 309526194 /nfs/dbraw/zinc/52/61/94/309526194.db2.gz WALBBXYADUAHLF-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)n1 ZINC000427387893 309528129 /nfs/dbraw/zinc/52/81/29/309528129.db2.gz WXJNUJPXYONUJH-GFCCVEGCSA-N 0 0 348.325 3.052 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2C)C2CC2)n1 ZINC000427593766 309531910 /nfs/dbraw/zinc/53/19/10/309531910.db2.gz MILCUXGWHXUKCR-OAHLLOKOSA-N 0 0 328.372 3.001 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000430410757 309607529 /nfs/dbraw/zinc/60/75/29/309607529.db2.gz XMVHZMASQWHLAR-UYHISHBKSA-N 0 0 340.379 3.269 10 5 EGBERN CC[C@H]1CC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000431471066 309633734 /nfs/dbraw/zinc/63/37/34/309633734.db2.gz KDZURRBDHWCZPI-MGCOHNPYSA-N 0 0 332.447 3.441 10 5 EGBERN C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1nnc(-c2ccccc2)o1 ZINC000431859492 309645139 /nfs/dbraw/zinc/64/51/39/309645139.db2.gz RLLRFGUGJMGADX-LLVKDONJSA-N 0 0 341.323 3.277 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(CCC2)C[C@H]1C ZINC000432308691 309656851 /nfs/dbraw/zinc/65/68/51/309656851.db2.gz TWKHSJXBTODMDB-GFCCVEGCSA-N 0 0 338.429 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000432500411 309662368 /nfs/dbraw/zinc/66/23/68/309662368.db2.gz ISLLQMCCVBMGAU-UHFFFAOYSA-N 0 0 340.335 3.051 10 5 EGBERN CCOc1cc(CN[C@](C)(c2noc(C)n2)C2CC2)ccc1[N+](=O)[O-] ZINC000433302321 309685172 /nfs/dbraw/zinc/68/51/72/309685172.db2.gz ISDLUDUKPUODMX-KRWDZBQOSA-N 0 0 346.387 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000433547588 309690787 /nfs/dbraw/zinc/69/07/87/309690787.db2.gz HWDZHIIPRXKVMN-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000433738179 309694700 /nfs/dbraw/zinc/69/47/00/309694700.db2.gz CCUVDQZARRLPCA-SNVBAGLBSA-N 0 0 348.346 3.488 10 5 EGBERN CCOC(=O)c1ccnc(N(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000433799306 309696754 /nfs/dbraw/zinc/69/67/54/309696754.db2.gz QGWMSBWJUKMYCG-UHFFFAOYSA-N 0 0 343.383 3.420 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000433910704 309699565 /nfs/dbraw/zinc/69/95/65/309699565.db2.gz XUVPUIFOLQNEAW-LLVKDONJSA-N 0 0 345.321 3.387 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000438153377 309808211 /nfs/dbraw/zinc/80/82/11/309808211.db2.gz JUKNTFKEVWHSEE-BWACUDIHSA-N 0 0 326.352 3.278 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@@H](C)[C@H]1C ZINC000438404391 309813635 /nfs/dbraw/zinc/81/36/35/309813635.db2.gz SHADDHVLCVDKSE-NDBYEHHHSA-N 0 0 338.429 3.100 10 5 EGBERN COc1ccc2c(c1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000438899101 309822090 /nfs/dbraw/zinc/82/20/90/309822090.db2.gz BQAAKNOTZZLTGC-UHFFFAOYSA-N 0 0 327.384 3.220 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NCC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000443723288 309907325 /nfs/dbraw/zinc/90/73/25/309907325.db2.gz XDEDZTMBEIHNTC-UHFFFAOYSA-N 0 0 344.820 3.025 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443763082 309907759 /nfs/dbraw/zinc/90/77/59/309907759.db2.gz YPLCODJJDAOXOT-WFASDCNBSA-N 0 0 340.445 3.229 10 5 EGBERN CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443759676 309907791 /nfs/dbraw/zinc/90/77/91/309907791.db2.gz HXCWVSKIKYWCKX-XJKSGUPXSA-N 0 0 340.445 3.325 10 5 EGBERN CC(C)CN(CC(C)(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443777767 309907893 /nfs/dbraw/zinc/90/78/93/309907893.db2.gz OQQAYLRZMFCKCK-UHFFFAOYSA-N 0 0 342.461 3.429 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)CCC(C)C ZINC000446317362 309960197 /nfs/dbraw/zinc/96/01/97/309960197.db2.gz DGDUNICHINBXOS-MRXNPFEDSA-N 0 0 342.823 3.474 10 5 EGBERN COc1ccc(F)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000446448143 309962449 /nfs/dbraw/zinc/96/24/49/309962449.db2.gz KNPXYMSOADJBKS-UHFFFAOYSA-N 0 0 343.314 3.336 10 5 EGBERN CCOC(=O)c1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000447329647 309977435 /nfs/dbraw/zinc/97/74/35/309977435.db2.gz MTANFBWFPKWTFJ-QMMMGPOBSA-N 0 0 339.398 3.476 10 5 EGBERN Cc1ccc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449663243 310078543 /nfs/dbraw/zinc/07/85/43/310078543.db2.gz JFIGNHRIMPPBAY-LBPRGKRZSA-N 0 0 345.365 3.219 10 5 EGBERN Cc1cnc(CCCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000450061203 310101401 /nfs/dbraw/zinc/10/14/01/310101401.db2.gz YAYOABZBWFYFNO-CYBMUJFWSA-N 0 0 331.372 3.400 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000450426254 310121838 /nfs/dbraw/zinc/12/18/38/310121838.db2.gz POGCXDAHSLPKHC-HZPDHXFCSA-N 0 0 329.400 3.376 10 5 EGBERN CC(C)Oc1cc(CN(c2ccc([N+](=O)[O-])nc2)C2CC2)ccn1 ZINC000450445058 310123264 /nfs/dbraw/zinc/12/32/64/310123264.db2.gz FDMZADLGWYGWBT-UHFFFAOYSA-N 0 0 328.372 3.341 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450652587 310135321 /nfs/dbraw/zinc/13/53/21/310135321.db2.gz GDLRZGKTZSATBK-FUHWJXTLSA-N 0 0 330.359 3.208 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000450685625 310137249 /nfs/dbraw/zinc/13/72/49/310137249.db2.gz SVGZSXIRFLGVQX-BZPMIXESSA-N 0 0 325.796 3.163 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCOC2(CCC2)C1 ZINC000450719618 310139266 /nfs/dbraw/zinc/13/92/66/310139266.db2.gz QMSBXUDPBALPNB-CYBMUJFWSA-N 0 0 327.384 3.326 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)n1 ZINC000450794039 310142877 /nfs/dbraw/zinc/14/28/77/310142877.db2.gz LYGCVBIKYWQZOB-HUUCEWRRSA-N 0 0 328.372 3.334 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(c3ccc(Cl)cc3)C2)n1 ZINC000450828000 310144590 /nfs/dbraw/zinc/14/45/90/310144590.db2.gz LLNXGLTXYZYREJ-UHFFFAOYSA-N 0 0 347.758 3.034 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CCC(F)(F)C1 ZINC000450832031 310144716 /nfs/dbraw/zinc/14/47/16/310144716.db2.gz UYCPKQNUQIJSFK-LLVKDONJSA-N 0 0 335.310 3.254 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@]2(CCOC2)C1 ZINC000450871985 310147255 /nfs/dbraw/zinc/14/72/55/310147255.db2.gz APRHGEJAZAKPND-SFHVURJKSA-N 0 0 343.383 3.159 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@]3(CCSC3)C2)c1 ZINC000450911514 310149269 /nfs/dbraw/zinc/14/92/69/310149269.db2.gz ZGFMQOTZWUTNER-INIZCTEOSA-N 0 0 336.413 3.105 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCCC12CCC2 ZINC000451427320 310178050 /nfs/dbraw/zinc/17/80/50/310178050.db2.gz CMYOPHVUMZPVHU-UHFFFAOYSA-N 0 0 326.356 3.144 10 5 EGBERN COc1cc(CN2CCOC[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000451799534 310197775 /nfs/dbraw/zinc/19/77/75/310197775.db2.gz NXBRSCMLGAOLJE-KRWDZBQOSA-N 0 0 346.358 3.316 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)n1 ZINC000452189953 310217682 /nfs/dbraw/zinc/21/76/82/310217682.db2.gz WIFDMCFUALRUJF-NSHDSACASA-N 0 0 328.372 3.180 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000452394757 310225644 /nfs/dbraw/zinc/22/56/44/310225644.db2.gz DVGDPZQRMJFRGD-HUUCEWRRSA-N 0 0 342.399 3.125 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452584334 310233236 /nfs/dbraw/zinc/23/32/36/310233236.db2.gz HMYPBFOGRUWKLL-KURKYZTESA-N 0 0 346.427 3.070 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452810291 310242906 /nfs/dbraw/zinc/24/29/06/310242906.db2.gz DCCHOCHFHQKSLI-SUMWQHHRSA-N 0 0 334.416 3.338 10 5 EGBERN COCc1ccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000452860534 310246034 /nfs/dbraw/zinc/24/60/34/310246034.db2.gz CBIVYBVFRCSWII-AWEZNQCLSA-N 0 0 344.367 3.354 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000452988252 310251921 /nfs/dbraw/zinc/25/19/21/310251921.db2.gz KPDBAMBGHYORNB-LLVKDONJSA-N 0 0 326.805 3.351 10 5 EGBERN Cc1c(Cc2noc(-c3cnc(C4CC4)nc3)n2)cccc1[N+](=O)[O-] ZINC000453131312 310259989 /nfs/dbraw/zinc/25/99/89/310259989.db2.gz GQWPBTKMRMXWEW-UHFFFAOYSA-N 0 0 337.339 3.211 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000455457307 310361482 /nfs/dbraw/zinc/36/14/82/310361482.db2.gz CAZSQKLPPQJCFI-KRWDZBQOSA-N 0 0 333.388 3.192 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000456084090 310387900 /nfs/dbraw/zinc/38/79/00/310387900.db2.gz GIHCKOHIONKMPF-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)n1 ZINC000456836720 310424807 /nfs/dbraw/zinc/42/48/07/310424807.db2.gz IBHBZBKWPDLBBS-AWEZNQCLSA-N 0 0 346.362 3.236 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CC1 ZINC000456877172 310426999 /nfs/dbraw/zinc/42/69/99/310426999.db2.gz IIMZTKWJEXLGQO-AAEUAGOBSA-N 0 0 338.791 3.179 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC000457018864 310432703 /nfs/dbraw/zinc/43/27/03/310432703.db2.gz MQHGCGJNAMYMCR-IBGZPJMESA-N 0 0 339.395 3.439 10 5 EGBERN COCCCOC1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459596684 310563407 /nfs/dbraw/zinc/56/34/07/310563407.db2.gz SVROYQNCDMQUHG-UHFFFAOYSA-N 0 0 346.383 3.092 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H](O)C(F)(F)F)c(Cc2ccccc2)c1 ZINC000460615933 310584721 /nfs/dbraw/zinc/58/47/21/310584721.db2.gz BLLWUQVBRRCAEJ-HNNXBMFYSA-N 0 0 341.285 3.488 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cn(C)nc1C1CC1 ZINC000462860379 310606807 /nfs/dbraw/zinc/60/68/07/310606807.db2.gz OZPPPOPFYAMWGG-NSHDSACASA-N 0 0 343.387 3.035 10 5 EGBERN COC(=O)[C@](C)(NCc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000463458371 310613091 /nfs/dbraw/zinc/61/30/91/310613091.db2.gz XFMIIRHLOUCOKI-GOSISDBHSA-N 0 0 346.358 3.220 10 5 EGBERN Cc1cccc2oc(CCNC(=O)c3ccc([N+](=O)[O-])cc3C)nc21 ZINC000464953037 310627360 /nfs/dbraw/zinc/62/73/60/310627360.db2.gz AKEZHFJNKIUDAA-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN CC(C)[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000468827754 310694587 /nfs/dbraw/zinc/69/45/87/310694587.db2.gz DGFDGROBYFFKGR-YGRLFVJLSA-N 0 0 347.337 3.488 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000475648536 310815325 /nfs/dbraw/zinc/81/53/25/310815325.db2.gz JCAYUPAELCWDNH-GJZGRUSLSA-N 0 0 347.415 3.492 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2ccccc2F)cc1[N+](=O)[O-] ZINC000478115080 310854883 /nfs/dbraw/zinc/85/48/83/310854883.db2.gz ZBUPERQPYFFYQZ-UHFFFAOYSA-N 0 0 346.358 3.495 10 5 EGBERN Cc1nn(Cc2noc(Cc3ccccc3)n2)c2ccc([N+](=O)[O-])cc12 ZINC000479946433 310886470 /nfs/dbraw/zinc/88/64/70/310886470.db2.gz KVGULRBYLYCKJT-UHFFFAOYSA-N 0 0 349.350 3.275 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000480720863 310899962 /nfs/dbraw/zinc/89/99/62/310899962.db2.gz LKGQRXWYWZNSFN-CYBMUJFWSA-N 0 0 326.418 3.165 10 5 EGBERN CCOC(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000486033774 310986520 /nfs/dbraw/zinc/98/65/20/310986520.db2.gz XZOZHBIIVNXRHQ-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC12CCC2 ZINC000486964832 311004382 /nfs/dbraw/zinc/00/43/82/311004382.db2.gz IDYQTMBPJBUHAB-NSHDSACASA-N 0 0 338.354 3.454 10 5 EGBERN O=c1c2ccccc2n(Cc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000487888990 311041563 /nfs/dbraw/zinc/04/15/63/311041563.db2.gz OKCKHDOCUNCFSO-UHFFFAOYSA-N 0 0 346.346 3.144 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](CCO)c1ccccc1 ZINC000488071886 311049812 /nfs/dbraw/zinc/04/98/12/311049812.db2.gz ZBZOTKOAFFOBTG-OAHLLOKOSA-N 0 0 337.379 3.143 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000488283707 311059471 /nfs/dbraw/zinc/05/94/71/311059471.db2.gz UNBXRTUDCNDFMM-UHFFFAOYSA-N 0 0 342.380 3.238 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000488308997 311060401 /nfs/dbraw/zinc/06/04/01/311060401.db2.gz CUVXCTMMLNGWIZ-UHFFFAOYSA-N 0 0 342.380 3.238 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793300 311080201 /nfs/dbraw/zinc/08/02/01/311080201.db2.gz IMFNXBTZEONARP-OLZOCXBDSA-N 0 0 326.418 3.088 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488793230 311080329 /nfs/dbraw/zinc/08/03/29/311080329.db2.gz IIFWPLDRSYDQBZ-GJZGRUSLSA-N 0 0 326.418 3.088 10 5 EGBERN CCc1ccc(C(=O)NCc2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC000490039617 311130543 /nfs/dbraw/zinc/13/05/43/311130543.db2.gz JDSOHUCXYTXPDG-UHFFFAOYSA-N 0 0 332.331 3.235 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000490223300 311136391 /nfs/dbraw/zinc/13/63/91/311136391.db2.gz NMZDFVCQOMGKJR-HIFRSBDPSA-N 0 0 339.342 3.090 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 ZINC000491581281 311185679 /nfs/dbraw/zinc/18/56/79/311185679.db2.gz KWSPIHMKRGSLMF-UHFFFAOYSA-N 0 0 345.742 3.496 10 5 EGBERN Cn1c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000500578670 311928361 /nfs/dbraw/zinc/92/83/61/311928361.db2.gz DCBOQKKKTNPIBC-LSDHHAIUSA-N 0 0 327.384 3.390 10 5 EGBERN CCC[C@H](CCc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502359803 311963711 /nfs/dbraw/zinc/96/37/11/311963711.db2.gz HZMUTKIJJDULOT-OAHLLOKOSA-N 0 0 339.399 3.273 10 5 EGBERN CC(C)N(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000504105308 312000710 /nfs/dbraw/zinc/00/07/10/312000710.db2.gz UKRSOKZICNZKOG-QGZVFWFLSA-N 0 0 348.374 3.389 10 5 EGBERN Cc1ccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000504859742 312011219 /nfs/dbraw/zinc/01/12/19/312011219.db2.gz VRPWFNOZMNBAIE-UHFFFAOYSA-N 0 0 328.368 3.411 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000506108363 312041635 /nfs/dbraw/zinc/04/16/35/312041635.db2.gz UIPKTOHKGUGAKG-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000507467838 312073678 /nfs/dbraw/zinc/07/36/78/312073678.db2.gz MEHNDANLNCJVCX-NEPJUHHUSA-N 0 0 330.306 3.232 10 5 EGBERN COC(=O)c1cccc(CCNc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000508338452 312092517 /nfs/dbraw/zinc/09/25/17/312092517.db2.gz HJLMTOFMKWAAPY-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC(C)(C)C1 ZINC000508561606 312096882 /nfs/dbraw/zinc/09/68/82/312096882.db2.gz IUFZZAIIUIIKAK-GFCCVEGCSA-N 0 0 329.404 3.263 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000509426577 312116555 /nfs/dbraw/zinc/11/65/55/312116555.db2.gz OWDYSTSWHBVAKY-YJYMSZOUSA-N 0 0 339.395 3.365 10 5 EGBERN COc1c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000509950667 312129673 /nfs/dbraw/zinc/12/96/73/312129673.db2.gz AWDWCLQXFWUBSD-ZFWWWQNUSA-N 0 0 326.352 3.137 10 5 EGBERN C[C@H](C1CCCCC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000510616960 312144839 /nfs/dbraw/zinc/14/48/39/312144839.db2.gz OYMSVQZEFUYDMN-CYBMUJFWSA-N 0 0 340.445 3.325 10 5 EGBERN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1C ZINC000510790525 312148435 /nfs/dbraw/zinc/14/84/35/312148435.db2.gz OYXPQIHPHMJSLZ-UHFFFAOYSA-N 0 0 341.411 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000511419388 312160161 /nfs/dbraw/zinc/16/01/61/312160161.db2.gz AINZITQVUYENDM-UHFFFAOYSA-N 0 0 336.250 3.477 10 5 EGBERN CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)s1 ZINC000514172851 312226413 /nfs/dbraw/zinc/22/64/13/312226413.db2.gz SHXQTUZDSHFTOD-UHFFFAOYSA-N 0 0 332.429 3.249 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000515250657 312273416 /nfs/dbraw/zinc/27/34/16/312273416.db2.gz ZQSGFRROOMSTRK-GMTAPVOTSA-N 0 0 326.343 3.309 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000516218071 312315305 /nfs/dbraw/zinc/31/53/05/312315305.db2.gz ZMHQXYCPBRUPAB-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN COC(=O)[C@H](CNc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000521574234 312551330 /nfs/dbraw/zinc/55/13/30/312551330.db2.gz DTXIFGMVWHJROJ-ZDUSSCGKSA-N 0 0 332.331 3.178 10 5 EGBERN COc1ccc(CC(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000525113129 312696135 /nfs/dbraw/zinc/69/61/35/312696135.db2.gz HTVQNHLXKIJSDO-UHFFFAOYSA-N 0 0 335.385 3.365 10 5 EGBERN CC[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000531627084 313692484 /nfs/dbraw/zinc/69/24/84/313692484.db2.gz VCYHHMKRIJXGGA-SECBINFHSA-N 0 0 332.385 3.214 10 5 EGBERN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888028 313726873 /nfs/dbraw/zinc/72/68/73/313726873.db2.gz FQRATPGLRNXZOD-UHFFFAOYSA-N 0 0 325.777 3.367 10 5 EGBERN COc1ccc(OCCN(CC(F)F)CC2CCC2)c([N+](=O)[O-])c1 ZINC000535622908 314056695 /nfs/dbraw/zinc/05/66/95/314056695.db2.gz LPOBPWHGKXUDNG-UHFFFAOYSA-N 0 0 344.358 3.349 10 5 EGBERN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])n1cccc1 ZINC000539793041 314338572 /nfs/dbraw/zinc/33/85/72/314338572.db2.gz GJEOROXLONYGHQ-GFCCVEGCSA-N 0 0 335.791 3.360 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC(OCCCc3ccccc3)C2)n1 ZINC000541931856 314506342 /nfs/dbraw/zinc/50/63/42/314506342.db2.gz DBEVMLQIOLDYRJ-UHFFFAOYSA-N 0 0 341.411 3.445 10 5 EGBERN Cc1c(Cc2nc(-c3ccc4c(c3)ncn4C)no2)cccc1[N+](=O)[O-] ZINC000544975388 314727563 /nfs/dbraw/zinc/72/75/63/314727563.db2.gz VQBXNKDRKRSCFD-UHFFFAOYSA-N 0 0 349.350 3.431 10 5 EGBERN Cc1c(CC(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000546210216 314817351 /nfs/dbraw/zinc/81/73/51/314817351.db2.gz PSRXKKAJZLTFEL-YJYMSZOUSA-N 0 0 348.443 3.139 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000546921747 314866133 /nfs/dbraw/zinc/86/61/33/314866133.db2.gz YLHRNBYOLFIGIW-LBPRGKRZSA-N 0 0 325.368 3.360 10 5 EGBERN Cc1cc(C)n([C@@H](C)c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)n1 ZINC000547109674 314874730 /nfs/dbraw/zinc/87/47/30/314874730.db2.gz KQRCXDYHFVYFTK-LBPRGKRZSA-N 0 0 327.344 3.376 10 5 EGBERN COc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1F ZINC000547755587 314934357 /nfs/dbraw/zinc/93/43/57/314934357.db2.gz GYNWMCOHSDNSDB-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN CC(C)=CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551725963 315165556 /nfs/dbraw/zinc/16/55/56/315165556.db2.gz ZVCVMNYNCWMZKG-UHFFFAOYSA-N 0 0 347.415 3.303 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(F)(c2ccccn2)CC1 ZINC000552128379 315200072 /nfs/dbraw/zinc/20/00/72/315200072.db2.gz PVUUPIOVHAAAMQ-UHFFFAOYSA-N 0 0 335.360 3.152 10 5 EGBERN COC(=O)c1cc(C)nc(SCc2cccc(OC)c2)c1[N+](=O)[O-] ZINC000552997138 315240779 /nfs/dbraw/zinc/24/07/79/315240779.db2.gz YFWBVSLJUFDBAE-UHFFFAOYSA-N 0 0 348.380 3.386 10 5 EGBERN CCCC[C@@H]1CCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553369947 315260169 /nfs/dbraw/zinc/26/01/69/315260169.db2.gz HXUQKHJCXJUKLU-BXUZGUMPSA-N 0 0 330.388 3.436 10 5 EGBERN CCOc1cc(OCc2cc(C(=O)OC)oc2C)ccc1[N+](=O)[O-] ZINC000555367080 315381433 /nfs/dbraw/zinc/38/14/33/315381433.db2.gz ALEVTDSCHAJISM-UHFFFAOYSA-N 0 0 335.312 3.261 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000557636535 315524183 /nfs/dbraw/zinc/52/41/83/315524183.db2.gz DMFAIEBNVVWUSB-UHFFFAOYSA-N 0 0 335.404 3.347 10 5 EGBERN COCc1ccc(COc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000558827750 315605510 /nfs/dbraw/zinc/60/55/10/315605510.db2.gz LCIRDSMAPNNTDM-UHFFFAOYSA-N 0 0 331.324 3.107 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC(C)(C)C1 ZINC000558888249 315608374 /nfs/dbraw/zinc/60/83/74/315608374.db2.gz CCUILDVXUCTUFE-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000558931135 315610788 /nfs/dbraw/zinc/61/07/88/315610788.db2.gz ZMXXUHHGWFYVNC-DQPZFDDXSA-N 0 0 331.416 3.357 10 5 EGBERN O=C(NCCCC1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000562322618 315818555 /nfs/dbraw/zinc/81/85/55/315818555.db2.gz YPHJZCYLZHAYOW-UHFFFAOYSA-N 0 0 333.207 3.339 10 5 EGBERN O=C(Cc1cccs1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565560473 316340061 /nfs/dbraw/zinc/34/00/61/316340061.db2.gz GJKZNXFJMUUJHS-UHFFFAOYSA-N 0 0 329.381 3.039 10 5 EGBERN COc1cc(Cn2c(=O)sc3c2CCCCC3)ccc1[N+](=O)[O-] ZINC000565567338 316340066 /nfs/dbraw/zinc/34/00/66/316340066.db2.gz VILRMIORDUQHSX-UHFFFAOYSA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@H]1CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565572989 316340746 /nfs/dbraw/zinc/34/07/46/316340746.db2.gz NKVSGNLVZMRPLX-MRXNPFEDSA-N 0 0 330.388 3.059 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000566485484 316485367 /nfs/dbraw/zinc/48/53/67/316485367.db2.gz LDZHWSHPABMZSW-AWEZNQCLSA-N 0 0 349.412 3.416 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)[C@]12CCCO2 ZINC000567044858 316560283 /nfs/dbraw/zinc/56/02/83/316560283.db2.gz OGIOZQSLPMQFOB-JFIYKMOQSA-N 0 0 347.415 3.007 10 5 EGBERN C[C@H]1CC[C@H](C)N1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570331128 317040574 /nfs/dbraw/zinc/04/05/74/317040574.db2.gz DNNSSYKUHVDHQU-RYUDHWBXSA-N 0 0 330.388 3.201 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC000571033332 317141847 /nfs/dbraw/zinc/14/18/47/317141847.db2.gz MCSLVJRWVJJYFX-HNNXBMFYSA-N 0 0 341.367 3.493 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000572361740 317328229 /nfs/dbraw/zinc/32/82/29/317328229.db2.gz HJXFDWREYFHQEI-HNNXBMFYSA-N 0 0 333.294 3.245 10 5 EGBERN CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000572619792 317366861 /nfs/dbraw/zinc/36/68/61/317366861.db2.gz JRJOCYIQURIHAX-UHFFFAOYSA-N 0 0 347.337 3.492 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC000574541300 317609960 /nfs/dbraw/zinc/60/99/60/317609960.db2.gz RNHFNMVGQJGDSA-SNVBAGLBSA-N 0 0 327.340 3.340 10 5 EGBERN Cc1cc(NCc2ccn(C)n2)c(Br)cc1[N+](=O)[O-] ZINC000235859773 456153617 /nfs/dbraw/zinc/15/36/17/456153617.db2.gz XOVIUZQHMUFKPC-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(F)cc1F ZINC000171446226 323235280 /nfs/dbraw/zinc/23/52/80/323235280.db2.gz WXQJSQODQBTYAZ-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000171640369 323243518 /nfs/dbraw/zinc/24/35/18/323243518.db2.gz ICIAEJWYFWGYSO-ZDUSSCGKSA-N 0 0 330.363 3.063 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)CCO2 ZINC000172046766 323266813 /nfs/dbraw/zinc/26/68/13/323266813.db2.gz AVPBHPWHQNROCH-UHFFFAOYSA-N 0 0 332.743 3.364 10 5 EGBERN COc1ccc(F)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000176651495 323332453 /nfs/dbraw/zinc/33/24/53/323332453.db2.gz HGHNGVRAOJIYJF-UHFFFAOYSA-N 0 0 349.318 3.073 10 5 EGBERN Cc1c(NC(=O)CNc2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000182952651 323584901 /nfs/dbraw/zinc/58/49/01/323584901.db2.gz GNMKQNTZMOAGRR-UHFFFAOYSA-N 0 0 328.372 3.020 10 5 EGBERN COC(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000193516256 323838719 /nfs/dbraw/zinc/83/87/19/323838719.db2.gz FOMXQAJOMMTACQ-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN COc1ccc(OCc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000193725392 323843251 /nfs/dbraw/zinc/84/32/51/323843251.db2.gz BUKOKVBUJMMYNI-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN CN(Cc1nnc(-c2ccccc2)n1C)Cc1ccccc1[N+](=O)[O-] ZINC000195514507 323887030 /nfs/dbraw/zinc/88/70/30/323887030.db2.gz YXDVVUDXTONGHU-UHFFFAOYSA-N 0 0 337.383 3.022 10 5 EGBERN CCOc1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)cc1[N+](=O)[O-] ZINC000350605032 324104555 /nfs/dbraw/zinc/10/45/55/324104555.db2.gz XOZWDPQZGAZOIL-CMPLNLGQSA-N 0 0 333.344 3.184 10 5 EGBERN CC(=O)Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000350838137 324126347 /nfs/dbraw/zinc/12/63/47/324126347.db2.gz PDMNMHXQTXKYHJ-UHFFFAOYSA-N 0 0 330.325 3.332 10 5 EGBERN CCc1noc(C)c1-c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000351026243 324155771 /nfs/dbraw/zinc/15/57/71/324155771.db2.gz RPMYUYNHWHKOPN-UHFFFAOYSA-N 0 0 330.300 3.083 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000351035173 324156470 /nfs/dbraw/zinc/15/64/70/324156470.db2.gz WUKZWOSEBDLPCJ-UHFFFAOYSA-N 0 0 340.299 3.047 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@@]3(F)c3ccccc3)n2)n1C ZINC000351208482 324195601 /nfs/dbraw/zinc/19/56/01/324195601.db2.gz CYVTXRHPUPVTSA-BDJLRTHQSA-N 0 0 343.318 3.039 10 5 EGBERN Cc1ccsc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577096893 324741495 /nfs/dbraw/zinc/74/14/95/324741495.db2.gz WTKUOWIMXBWAMN-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN COc1cc(N[C@H](c2ccccc2F)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000577402306 324802443 /nfs/dbraw/zinc/80/24/43/324802443.db2.gz XVFGUHQMMYLIAD-ABKXIKBNSA-N 0 0 338.310 3.416 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2ccccc2)c(F)c1N1CCOCC1 ZINC000578098165 324916820 /nfs/dbraw/zinc/91/68/20/324916820.db2.gz HXNBTTLEKLAOAO-UHFFFAOYSA-N 0 0 345.374 3.225 10 5 EGBERN O=C(Nc1ccc(Oc2cccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000578780871 325018394 /nfs/dbraw/zinc/01/83/94/325018394.db2.gz OGPKECLEPAUEEL-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN C[C@H](C(=O)N1CCC2(CCOCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000578817207 325021671 /nfs/dbraw/zinc/02/16/71/325021671.db2.gz OHBIKQDHJHLIFV-KBPBESRZSA-N 0 0 332.400 3.116 10 5 EGBERN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579556112 325126027 /nfs/dbraw/zinc/12/60/27/325126027.db2.gz HXKANQFZSPBFHN-XUJVJEKNSA-N 0 0 327.384 3.171 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc([C@H]3CSc4ccccc4O3)no2)nc1 ZINC000580032514 325191686 /nfs/dbraw/zinc/19/16/86/325191686.db2.gz MKKVEYTZPMQSMX-GFCCVEGCSA-N 0 0 342.336 3.266 10 5 EGBERN Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580332540 325236597 /nfs/dbraw/zinc/23/65/97/325236597.db2.gz YYQUEINEEXMPIR-GFCCVEGCSA-N 0 0 335.404 3.135 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCCOCC1 ZINC000369737254 457373640 /nfs/dbraw/zinc/37/36/40/457373640.db2.gz RSVQYOIHQWOFHV-VIFPVBQESA-N 0 0 343.177 3.113 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000173012652 455219243 /nfs/dbraw/zinc/21/92/43/455219243.db2.gz NHMBLYZULDBRKC-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])cs1 ZINC000190005618 455270931 /nfs/dbraw/zinc/27/09/31/455270931.db2.gz PDEPHYWUHFMAJT-CQSZACIVSA-N 0 0 346.412 3.135 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158141837 455273643 /nfs/dbraw/zinc/27/36/43/455273643.db2.gz JWIZKCAFSDJWGW-WQVCFCJDSA-N 0 0 340.807 3.017 10 5 EGBERN COc1ccc(C2=NO[C@H](COc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000000158283 452524809 /nfs/dbraw/zinc/52/48/09/452524809.db2.gz YVQXLBJIPYSRSE-INIZCTEOSA-N 0 0 328.324 3.175 10 5 EGBERN Cc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)o1 ZINC000000178443 452528488 /nfs/dbraw/zinc/52/84/88/452528488.db2.gz BMKDBBXMURXCSH-NTUHNPAUSA-N 0 0 332.699 3.494 10 5 EGBERN COc1cc(NC(=O)COc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000000370859 452574545 /nfs/dbraw/zinc/57/45/45/452574545.db2.gz XDIIALMRVRSQMR-UHFFFAOYSA-N 0 0 336.731 3.274 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183405422 455288112 /nfs/dbraw/zinc/28/81/12/455288112.db2.gz LAHDBXIJXNXBED-NSHDSACASA-N 0 0 344.342 3.435 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000173559948 455305779 /nfs/dbraw/zinc/30/57/79/455305779.db2.gz SJZYLGWREKJWDS-OAHLLOKOSA-N 0 0 343.383 3.066 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000006248050 452929513 /nfs/dbraw/zinc/92/95/13/452929513.db2.gz DJWYQPMVSUEQRY-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000600703739 460573900 /nfs/dbraw/zinc/57/39/00/460573900.db2.gz KHKWYZBTCOSOHB-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000006536437 452950886 /nfs/dbraw/zinc/95/08/86/452950886.db2.gz MXUZBKLYLOCKSJ-UHFFFAOYSA-N 0 0 338.279 3.304 10 5 EGBERN CSc1ccc(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000006601994 452959334 /nfs/dbraw/zinc/95/93/34/452959334.db2.gz OTVUNSXEYXUZLJ-UHFFFAOYSA-N 0 0 346.408 3.354 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600762745 460594927 /nfs/dbraw/zinc/59/49/27/460594927.db2.gz WJMFHXUFTXNSJJ-KSSFIOAISA-N 0 0 330.384 3.349 10 5 EGBERN CNc1c(C(=O)N2CC(Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000600762700 460595083 /nfs/dbraw/zinc/59/50/83/460595083.db2.gz ZKGGDEHCQUAHFL-UHFFFAOYSA-N 0 0 331.397 3.013 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600762659 460595256 /nfs/dbraw/zinc/59/52/56/460595256.db2.gz YYVKYZSNKZONMU-UHFFFAOYSA-N 0 0 334.372 3.039 10 5 EGBERN Cc1c(CC(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600776109 460599499 /nfs/dbraw/zinc/59/94/99/460599499.db2.gz WHPFEOHKPVSAEY-MRXNPFEDSA-N 0 0 340.379 3.167 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000014483505 453537403 /nfs/dbraw/zinc/53/74/03/453537403.db2.gz PIELWCCBVHAPCI-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN CCOc1cc(C(=O)NC[C@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000600803610 460610956 /nfs/dbraw/zinc/61/09/56/460610956.db2.gz LFVLVILIYGFVTJ-GFCCVEGCSA-N 0 0 348.399 3.312 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000018061602 453641792 /nfs/dbraw/zinc/64/17/92/453641792.db2.gz PRBFPYCHWHIHHM-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN C[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000018207738 453647643 /nfs/dbraw/zinc/64/76/43/453647643.db2.gz QZFBKHBXGPIBJU-STQMWFEESA-N 0 0 331.416 3.359 10 5 EGBERN COc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000025106575 453758979 /nfs/dbraw/zinc/75/89/79/453758979.db2.gz DYJFDCAAACVPQI-CYBMUJFWSA-N 0 0 328.368 3.366 10 5 EGBERN COCCNc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000025734213 453784518 /nfs/dbraw/zinc/78/45/18/453784518.db2.gz HBAHMFINWFQQDN-SECBINFHSA-N 0 0 340.430 3.358 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000031203316 453841585 /nfs/dbraw/zinc/84/15/85/453841585.db2.gz RXEYGJHQYVLYTK-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)cn2)C[C@H](C)O1 ZINC000066410788 453842414 /nfs/dbraw/zinc/84/24/14/453842414.db2.gz SBMRQLXSOFQROZ-RYUDHWBXSA-N 0 0 348.428 3.277 10 5 EGBERN COCCOc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066431616 453844549 /nfs/dbraw/zinc/84/45/49/453844549.db2.gz HFVYDDIUQXEMAU-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066692607 453863076 /nfs/dbraw/zinc/86/30/76/453863076.db2.gz JKKFFRITWBJNRC-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(F)cc2)CC1 ZINC000053214814 453865088 /nfs/dbraw/zinc/86/50/88/453865088.db2.gz RZJGONSSJWRFAU-UHFFFAOYSA-N 0 0 328.343 3.124 10 5 EGBERN COc1ccc(CN(C)c2ccncc2[N+](=O)[O-])cc1OC(F)F ZINC000066808408 453875965 /nfs/dbraw/zinc/87/59/65/453875965.db2.gz BKVJPSAXTYDOBV-UHFFFAOYSA-N 0 0 339.298 3.236 10 5 EGBERN COC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000066812624 453876227 /nfs/dbraw/zinc/87/62/27/453876227.db2.gz QWQLQKGCRLOZPE-SECBINFHSA-N 0 0 332.278 3.003 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055123610 453964924 /nfs/dbraw/zinc/96/49/24/453964924.db2.gz GJMRSTRLBXICLL-UHFFFAOYSA-N 0 0 326.352 3.320 10 5 EGBERN COc1ccc(CC(=O)NCc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000067819335 453969060 /nfs/dbraw/zinc/96/90/60/453969060.db2.gz JJFTVWPYAPRRNV-UHFFFAOYSA-N 0 0 346.408 3.184 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000067858059 453972685 /nfs/dbraw/zinc/97/26/85/453972685.db2.gz DHUQSBSHZVQHQO-LLVKDONJSA-N 0 0 344.396 3.192 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000067939071 453982611 /nfs/dbraw/zinc/98/26/11/453982611.db2.gz HFZAZCFQWHWIHP-GFCCVEGCSA-N 0 0 348.428 3.429 10 5 EGBERN COc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000055682170 454006014 /nfs/dbraw/zinc/00/60/14/454006014.db2.gz XQMCBCSLANKYGZ-AWEZNQCLSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1ncc(Cl)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000084776266 454010061 /nfs/dbraw/zinc/01/00/61/454010061.db2.gz KACGHMYMVZEIGI-UHFFFAOYSA-N 0 0 343.730 3.147 10 5 EGBERN Cc1c(NC(=O)C(=O)N2CCC3(C2)CCCCC3)cccc1[N+](=O)[O-] ZINC000076510179 454010600 /nfs/dbraw/zinc/01/06/00/454010600.db2.gz XEGIXBHHXKJAKP-UHFFFAOYSA-N 0 0 345.399 3.025 10 5 EGBERN CCCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809930 454011290 /nfs/dbraw/zinc/01/12/90/454011290.db2.gz HHALCSSPVNWSRM-ZFWWWQNUSA-N 0 0 348.399 3.299 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(CSCc3ccccn3)o2)cc1 ZINC000612409987 460623741 /nfs/dbraw/zinc/62/37/41/460623741.db2.gz NLMFPZCTXRONOB-UHFFFAOYSA-N 0 0 328.353 3.473 10 5 EGBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000043835836 454080176 /nfs/dbraw/zinc/08/01/76/454080176.db2.gz PNBWEVXUMHISOM-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000069285225 454092107 /nfs/dbraw/zinc/09/21/07/454092107.db2.gz HKSFCKVSMVYLSN-WDEREUQCSA-N 0 0 334.401 3.481 10 5 EGBERN CC(C)(C)c1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cs1 ZINC000069527782 454116728 /nfs/dbraw/zinc/11/67/28/454116728.db2.gz FADBCNMNOIRZCD-UHFFFAOYSA-N 0 0 333.369 3.305 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1NC(C)=O ZINC000044770769 454118077 /nfs/dbraw/zinc/11/80/77/454118077.db2.gz MCESYBJGGCAKOV-UHFFFAOYSA-N 0 0 349.368 3.184 10 5 EGBERN Cc1ccnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000088751178 454118377 /nfs/dbraw/zinc/11/83/77/454118377.db2.gz FCIQLQUDYDGHBA-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)c(OC[C@@H]2CCOC2)c1 ZINC000088743848 454118570 /nfs/dbraw/zinc/11/85/70/454118570.db2.gz DKPMQJCJWCOAST-CQSZACIVSA-N 0 0 343.383 3.326 10 5 EGBERN COc1cc(NCCCc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000089264922 454131281 /nfs/dbraw/zinc/13/12/81/454131281.db2.gz MCYMTORXJLJSFA-UHFFFAOYSA-N 0 0 336.367 3.138 10 5 EGBERN COC(=O)c1c(C)ccc(F)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069700425 454134543 /nfs/dbraw/zinc/13/45/43/454134543.db2.gz SIKYAKQILAZNHD-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN Cc1cc(NCC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057826105 454149256 /nfs/dbraw/zinc/14/92/56/454149256.db2.gz VTRUSFCHHNYDQR-HNNXBMFYSA-N 0 0 328.372 3.341 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077780113 454155829 /nfs/dbraw/zinc/15/58/29/454155829.db2.gz UFBAVCBXZJCWFN-DYVFJYSZSA-N 0 0 337.420 3.142 10 5 EGBERN CC(C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000078181316 454208057 /nfs/dbraw/zinc/20/80/57/454208057.db2.gz UJXHCUQJVBPVKB-UHFFFAOYSA-N 0 0 340.807 3.207 10 5 EGBERN COc1cc(N[C@@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000078261053 454219149 /nfs/dbraw/zinc/21/91/49/454219149.db2.gz ZNCJMVDYOBMGPN-OAHLLOKOSA-N 0 0 341.367 3.211 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000059012262 454252393 /nfs/dbraw/zinc/25/23/93/454252393.db2.gz SECGQNHCHRPTCX-UHFFFAOYSA-N 0 0 332.331 3.161 10 5 EGBERN Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)n1 ZINC000078454587 454255727 /nfs/dbraw/zinc/25/57/27/454255727.db2.gz SGRWLBRGUYIQGQ-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCSCC3)n2)c(F)c1 ZINC000600885902 460630692 /nfs/dbraw/zinc/63/06/92/460630692.db2.gz ZGDDTOPCKPEILB-UHFFFAOYSA-N 0 0 325.390 3.411 10 5 EGBERN C[C@H](O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090092437 454277965 /nfs/dbraw/zinc/27/79/65/454277965.db2.gz GNDIOOHULWTUPO-ZDUSSCGKSA-N 0 0 327.384 3.254 10 5 EGBERN C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000078579149 454279805 /nfs/dbraw/zinc/27/98/05/454279805.db2.gz NZLUNCFDCCVEBG-VIFPVBQESA-N 0 0 335.310 3.188 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCCc2nc(C(C)C)no2)c1 ZINC000072296204 454288930 /nfs/dbraw/zinc/28/89/30/454288930.db2.gz XOWUXKGQGULMFO-UHFFFAOYSA-N 0 0 338.339 3.294 10 5 EGBERN Cc1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000078659074 454293531 /nfs/dbraw/zinc/29/35/31/454293531.db2.gz TZSFJBBJGYMUIM-CYBMUJFWSA-N 0 0 327.340 3.368 10 5 EGBERN CC[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090467398 454310167 /nfs/dbraw/zinc/31/01/67/454310167.db2.gz OXFLQNNNQGLTJR-KRWDZBQOSA-N 0 0 344.415 3.145 10 5 EGBERN CC[C@H](NC(=O)NCCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000090562213 454322754 /nfs/dbraw/zinc/32/27/54/454322754.db2.gz YKQLYKFRDARTFR-INIZCTEOSA-N 0 0 346.387 3.193 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047147553 454333768 /nfs/dbraw/zinc/33/37/68/454333768.db2.gz OEPNWTJZVLKXPI-NSHDSACASA-N 0 0 345.355 3.495 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090689145 454336861 /nfs/dbraw/zinc/33/68/61/454336861.db2.gz PBBKJDUCNCMWLD-AWEZNQCLSA-N 0 0 348.428 3.387 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)c(Cl)c1 ZINC000079102873 454368959 /nfs/dbraw/zinc/36/89/59/454368959.db2.gz BOCWUWRCPFEJIE-UHFFFAOYSA-N 0 0 329.747 3.123 10 5 EGBERN CCc1nnsc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097378938 454435414 /nfs/dbraw/zinc/43/54/14/454435414.db2.gz MAUKWLCAHXKVPV-UHFFFAOYSA-N 0 0 343.368 3.118 10 5 EGBERN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1[N+](=O)[O-] ZINC000074100049 454531701 /nfs/dbraw/zinc/53/17/01/454531701.db2.gz NATAIUWSAWUBHM-INIZCTEOSA-N 0 0 341.367 3.124 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134476764 454548668 /nfs/dbraw/zinc/54/86/68/454548668.db2.gz WOGVGXQZXQMVLV-IAQYHMDHSA-N 0 0 340.807 3.309 10 5 EGBERN COC(=O)c1cc(NC[C@H](C)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000092671808 454607470 /nfs/dbraw/zinc/60/74/70/454607470.db2.gz RBXKUMXHFDSBIA-LBPRGKRZSA-N 0 0 329.356 3.294 10 5 EGBERN COc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000080645406 454611663 /nfs/dbraw/zinc/61/16/63/454611663.db2.gz GLAUIYTZOJXIML-OAHLLOKOSA-N 0 0 332.356 3.066 10 5 EGBERN COc1ccc([C@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092783123 454630833 /nfs/dbraw/zinc/63/08/33/454630833.db2.gz CFLTYHOXIKLXMU-AWEZNQCLSA-N 0 0 328.368 3.299 10 5 EGBERN O=C(NC1CCN(c2ccsc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000065945982 454642436 /nfs/dbraw/zinc/64/24/36/454642436.db2.gz BWOQBIXOFJINCW-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000093079754 454678197 /nfs/dbraw/zinc/67/81/97/454678197.db2.gz QQBMVLRNRMRRJU-IBGZPJMESA-N 0 0 342.395 3.485 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000052531080 454683024 /nfs/dbraw/zinc/68/30/24/454683024.db2.gz ROWVGSNLEKZOHH-UHFFFAOYSA-N 0 0 345.355 3.475 10 5 EGBERN CCOc1cccc(CCNc2ccc(C(=O)NC)cc2[N+](=O)[O-])c1 ZINC000135547861 454688588 /nfs/dbraw/zinc/68/85/88/454688588.db2.gz BGVWSKZHUKIUHF-UHFFFAOYSA-N 0 0 343.383 3.008 10 5 EGBERN Cc1cnn(-c2ccncc2NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000124034546 454694856 /nfs/dbraw/zinc/69/48/56/454694856.db2.gz DSGIBSAOEJCXTR-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C[C@@H](C(=O)NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1F ZINC000612523452 460649150 /nfs/dbraw/zinc/64/91/50/460649150.db2.gz XQKHTUXIYUUFSD-MRVPVSSYSA-N 0 0 326.711 3.400 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000124304031 454715870 /nfs/dbraw/zinc/71/58/70/454715870.db2.gz KITBNCOVMMJHER-SNVBAGLBSA-N 0 0 348.794 3.023 10 5 EGBERN Cc1cc(NC(=O)[C@H]2Cc3ccccc3O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161865557 454730666 /nfs/dbraw/zinc/73/06/66/454730666.db2.gz UTAXLULMBONGRF-GOSISDBHSA-N 0 0 349.346 3.394 10 5 EGBERN CCN(C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153037942 454755093 /nfs/dbraw/zinc/75/50/93/454755093.db2.gz VMPPLZMEQLTZHV-UHFFFAOYSA-N 0 0 339.395 3.006 10 5 EGBERN Cc1cccc(-c2noc(CSCCn3cc([N+](=O)[O-])cn3)n2)c1 ZINC000162289413 454765338 /nfs/dbraw/zinc/76/53/38/454765338.db2.gz CFKKHEODLXBYAK-UHFFFAOYSA-N 0 0 345.384 3.083 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccccn1 ZINC000600942602 460653748 /nfs/dbraw/zinc/65/37/48/460653748.db2.gz FXDUWHZBZDYLAH-CYBMUJFWSA-N 0 0 325.368 3.289 10 5 EGBERN Cc1cc(N(C)C[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000141008929 454826040 /nfs/dbraw/zinc/82/60/40/454826040.db2.gz IDXASSPSGNYMOU-INIZCTEOSA-N 0 0 342.399 3.366 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000141226922 454827925 /nfs/dbraw/zinc/82/79/25/454827925.db2.gz ZAYBAYOUNDFZSY-OAHLLOKOSA-N 0 0 344.415 3.406 10 5 EGBERN COCc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000163746744 454863118 /nfs/dbraw/zinc/86/31/18/454863118.db2.gz QECBCXRVTMXTNK-UHFFFAOYSA-N 0 0 330.340 3.139 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000147623304 454865394 /nfs/dbraw/zinc/86/53/94/454865394.db2.gz BZTOEQNZIRUADN-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN CCCC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCC1 ZINC000126160661 454874577 /nfs/dbraw/zinc/87/45/77/454874577.db2.gz BUQIUFFYDJNJAY-UHFFFAOYSA-N 0 0 326.418 3.381 10 5 EGBERN CCOc1ccc(C(=O)N(C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000184982725 455482133 /nfs/dbraw/zinc/48/21/33/455482133.db2.gz ZIOIAPJCANKIKE-NSHDSACASA-N 0 0 349.412 3.326 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000165694903 454902127 /nfs/dbraw/zinc/90/21/27/454902127.db2.gz JJZOQXOPYJBOGN-XHDPSFHLSA-N 0 0 327.340 3.281 10 5 EGBERN CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1nccs1 ZINC000150874894 454906249 /nfs/dbraw/zinc/90/62/49/454906249.db2.gz PDFDYIUMDSUBMJ-SNVBAGLBSA-N 0 0 332.385 3.499 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177814011 454909601 /nfs/dbraw/zinc/90/96/01/454909601.db2.gz IWKBWPTWIJQERX-WBVHZDCISA-N 0 0 344.342 3.305 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000114434211 454953695 /nfs/dbraw/zinc/95/36/95/454953695.db2.gz ORZJMINUXMHSMW-GOSISDBHSA-N 0 0 329.400 3.356 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000127481392 454969181 /nfs/dbraw/zinc/96/91/81/454969181.db2.gz GJENWLOJYSZFEC-CQSZACIVSA-N 0 0 328.368 3.202 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000127512186 454972256 /nfs/dbraw/zinc/97/22/56/454972256.db2.gz FUBWAJGRPBINSC-AWEZNQCLSA-N 0 0 328.368 3.202 10 5 EGBERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000155487889 455007774 /nfs/dbraw/zinc/00/77/74/455007774.db2.gz QKWKLSGUMQJZIL-CHWSQXEVSA-N 0 0 333.432 3.057 10 5 EGBERN Cc1ccc(N2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000115516115 455019077 /nfs/dbraw/zinc/01/90/77/455019077.db2.gz WIOJIFPTQXHKIE-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN CO[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000171187748 455043630 /nfs/dbraw/zinc/04/36/30/455043630.db2.gz FSYBYYRUEBUICN-QGZVFWFLSA-N 0 0 339.351 3.194 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2c(Cl)cccc2Cl)c1=O ZINC000155901011 455059694 /nfs/dbraw/zinc/05/96/94/455059694.db2.gz HGIOFMOLQFNEBU-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000156078073 455079575 /nfs/dbraw/zinc/07/95/75/455079575.db2.gz UHXMRLOZPDUDCV-CYBMUJFWSA-N 0 0 348.380 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000118268316 455101884 /nfs/dbraw/zinc/10/18/84/455101884.db2.gz YOLYOTAOTIQKHP-CZUORRHYSA-N 0 0 334.416 3.474 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000172177728 455132475 /nfs/dbraw/zinc/13/24/75/455132475.db2.gz MKOYIESZJDNZTE-CYBMUJFWSA-N 0 0 339.804 3.278 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000182915233 455190291 /nfs/dbraw/zinc/19/02/91/455190291.db2.gz CSBLQTLTZQFCCJ-ZDUSSCGKSA-N 0 0 342.399 3.127 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000190388329 455307138 /nfs/dbraw/zinc/30/71/38/455307138.db2.gz JQXAHEYNRYXYJZ-CQSZACIVSA-N 0 0 343.387 3.204 10 5 EGBERN CCOC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265543186 455341443 /nfs/dbraw/zinc/34/14/43/455341443.db2.gz PDSYIEXWXOIYCS-UHFFFAOYSA-N 0 0 327.768 3.177 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cc([N+](=O)[O-])c(C)s1)n2C ZINC000184480821 455387484 /nfs/dbraw/zinc/38/74/84/455387484.db2.gz ULRABKDRVNOUKK-UHFFFAOYSA-N 0 0 346.368 3.112 10 5 EGBERN Cc1nc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cs1 ZINC000601002127 460671524 /nfs/dbraw/zinc/67/15/24/460671524.db2.gz ULWHMXRQKCEOHQ-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000182138854 455444489 /nfs/dbraw/zinc/44/44/89/455444489.db2.gz MLYDTCFPLYTYSR-UHFFFAOYSA-N 0 0 347.381 3.131 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218625 455463453 /nfs/dbraw/zinc/46/34/53/455463453.db2.gz CXHJTFANECPVEC-GFCCVEGCSA-N 0 0 340.807 3.412 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000191459819 455487024 /nfs/dbraw/zinc/48/70/24/455487024.db2.gz DSZHUQZSXMSCQX-UHFFFAOYSA-N 0 0 346.431 3.148 10 5 EGBERN CC[C@@H](C)Oc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191572104 455498448 /nfs/dbraw/zinc/49/84/48/455498448.db2.gz XFJWDUGGIPUNFB-LLVKDONJSA-N 0 0 332.360 3.241 10 5 EGBERN Cc1cc(NC(=O)CCc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000182403714 455507141 /nfs/dbraw/zinc/50/71/41/455507141.db2.gz PXHYNJNESJQYFG-UHFFFAOYSA-N 0 0 342.351 3.246 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Cl)c3n2)n1 ZINC000191703701 455511082 /nfs/dbraw/zinc/51/10/82/455511082.db2.gz ZMXSUSMJNIAMHZ-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161094898 455532441 /nfs/dbraw/zinc/53/24/41/455532441.db2.gz HKNXJQDRLICWPI-NEPJUHHUSA-N 0 0 348.428 3.428 10 5 EGBERN COc1cc(CN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000161146055 455540199 /nfs/dbraw/zinc/54/01/99/455540199.db2.gz QYBFUTXPPUFEBR-UHFFFAOYSA-N 0 0 334.347 3.383 10 5 EGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000176110353 455541585 /nfs/dbraw/zinc/54/15/85/455541585.db2.gz FBEUZRXKQIIGPK-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CCN(CC(F)(F)F)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601023401 460678797 /nfs/dbraw/zinc/67/87/97/460678797.db2.gz GUABVGSIYLYQTM-UHFFFAOYSA-N 0 0 330.306 3.427 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000161488223 455574637 /nfs/dbraw/zinc/57/46/37/455574637.db2.gz IPRZNYNSYVLNCC-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185553111 455577020 /nfs/dbraw/zinc/57/70/20/455577020.db2.gz CSXPPAPSBKOYBC-ZDUSSCGKSA-N 0 0 343.383 3.303 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])s2)cs1 ZINC000192468458 455625340 /nfs/dbraw/zinc/62/53/40/455625340.db2.gz URXABGQUJJRFHN-QMMMGPOBSA-N 0 0 328.419 3.242 10 5 EGBERN CCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000271419054 455629578 /nfs/dbraw/zinc/62/95/78/455629578.db2.gz POWUIPKKHZNTIH-ZDUSSCGKSA-N 0 0 330.388 3.332 10 5 EGBERN C[C@@H]1C[C@H]1[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271425684 455631980 /nfs/dbraw/zinc/63/19/80/455631980.db2.gz QWIRSPGTAQKJFZ-GAJTVXKRSA-N 0 0 348.790 3.109 10 5 EGBERN Cn1cc(Nc2ncc([N+](=O)[O-])cc2Br)c(C2CC2)n1 ZINC000292443261 455665010 /nfs/dbraw/zinc/66/50/10/455665010.db2.gz WAPDIWLSFYZQPF-UHFFFAOYSA-N 0 0 338.165 3.107 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nc(C)sc3C)n2)c1 ZINC000277804241 455671145 /nfs/dbraw/zinc/67/11/45/455671145.db2.gz AULAXUGHBWYBTF-UHFFFAOYSA-N 0 0 346.368 3.318 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000192853070 455707505 /nfs/dbraw/zinc/70/75/05/455707505.db2.gz QNYWYBNZGPREQE-KRWDZBQOSA-N 0 0 342.399 3.394 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000192919968 455717794 /nfs/dbraw/zinc/71/77/94/455717794.db2.gz LUTSAQJHTGIEFT-GFCCVEGCSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186341032 455747695 /nfs/dbraw/zinc/74/76/95/455747695.db2.gz BNOHHUXLOYDGCF-SECBINFHSA-N 0 0 341.726 3.278 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(Oc3ncccc3F)CC2)cs1 ZINC000278071252 455750279 /nfs/dbraw/zinc/75/02/79/455750279.db2.gz GKBIZQHTLOFTRW-UHFFFAOYSA-N 0 0 337.376 3.234 10 5 EGBERN COc1cc(NCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1F ZINC000612666745 460693632 /nfs/dbraw/zinc/69/36/32/460693632.db2.gz IORJDWQGDNBZBX-UHFFFAOYSA-N 0 0 330.319 3.241 10 5 EGBERN C[C@H](CO)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278167579 455775614 /nfs/dbraw/zinc/77/56/14/455775614.db2.gz YQHGOBLGXDPSDB-ZDUSSCGKSA-N 0 0 338.407 3.232 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323725 455835260 /nfs/dbraw/zinc/83/52/60/455835260.db2.gz JZVDHUAKPPQCCV-GFCCVEGCSA-N 0 0 338.429 3.460 10 5 EGBERN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000194542548 455856450 /nfs/dbraw/zinc/85/64/50/455856450.db2.gz ORKCAOVGCINJBK-NSHDSACASA-N 0 0 334.401 3.129 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000272179203 455868639 /nfs/dbraw/zinc/86/86/39/455868639.db2.gz ZYYPOTPIEMHOMX-GXTWGEPZSA-N 0 0 340.807 3.117 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000601070304 460698458 /nfs/dbraw/zinc/69/84/58/460698458.db2.gz NWARXIKRNHLFHQ-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296232614 455886865 /nfs/dbraw/zinc/88/68/65/455886865.db2.gz VYFMXEBYPFMOJL-PWSUYJOCSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1 ZINC000285667657 455893047 /nfs/dbraw/zinc/89/30/47/455893047.db2.gz YDOPBRMTAHFUHD-SZVBFZGTSA-N 0 0 346.427 3.449 10 5 EGBERN CC[C@](C)(OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280489304 455981628 /nfs/dbraw/zinc/98/16/28/455981628.db2.gz CYTYNBMNGBGQGA-ZDUSSCGKSA-N 0 0 345.193 3.419 10 5 EGBERN O=C(CSc1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000188144780 456008496 /nfs/dbraw/zinc/00/84/96/456008496.db2.gz WIFTZIBOGKRLLO-UHFFFAOYSA-N 0 0 349.315 3.440 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCCCC2)nc1 ZINC000601105053 460711726 /nfs/dbraw/zinc/71/17/26/460711726.db2.gz SGVKBMURTODJGR-UHFFFAOYSA-N 0 0 331.351 3.126 10 5 EGBERN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272806197 456073979 /nfs/dbraw/zinc/07/39/79/456073979.db2.gz IMXIPXQSKHGMLU-FZMZJTMJSA-N 0 0 339.417 3.399 10 5 EGBERN COc1cc(C(=O)Nc2ncnc3oc(C)c(C)c32)ccc1[N+](=O)[O-] ZINC000225399129 456079918 /nfs/dbraw/zinc/07/99/18/456079918.db2.gz RAUKUESUHLZNOG-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN CC(C)c1nn(C)cc1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000281108941 456136181 /nfs/dbraw/zinc/13/61/81/456136181.db2.gz XJFLGPWPDYVQJT-UHFFFAOYSA-N 0 0 329.360 3.080 10 5 EGBERN O=C(c1cc(N2C[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301529572 456139612 /nfs/dbraw/zinc/13/96/12/456139612.db2.gz HENNLNQAYNYROF-HUUCEWRRSA-N 0 0 343.427 3.457 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281126269 456140435 /nfs/dbraw/zinc/14/04/35/456140435.db2.gz SVJLSTPOFKLQED-OAHLLOKOSA-N 0 0 348.790 3.349 10 5 EGBERN COc1cc(-c2nc(C3(OC)CCCC3)no2)cc([N+](=O)[O-])c1C ZINC000289850351 456155369 /nfs/dbraw/zinc/15/53/69/456155369.db2.gz UCYZCCZLEJQIHD-UHFFFAOYSA-N 0 0 333.344 3.378 10 5 EGBERN COc1cc(N2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000301614882 456162391 /nfs/dbraw/zinc/16/23/91/456162391.db2.gz BABOUOHGLHVVNF-SFHVURJKSA-N 0 0 346.358 3.495 10 5 EGBERN Cc1sc(C(=O)N(C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271241241 456187847 /nfs/dbraw/zinc/18/78/47/456187847.db2.gz OYECFDLYVRWTGW-CYBMUJFWSA-N 0 0 334.397 3.160 10 5 EGBERN C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000297344670 456192416 /nfs/dbraw/zinc/19/24/16/456192416.db2.gz BCRPPYCDLONUFP-DYVFJYSZSA-N 0 0 337.383 3.427 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000289996154 456210840 /nfs/dbraw/zinc/21/08/40/456210840.db2.gz DPMMIROSOMWCTH-CXAGYDPISA-N 0 0 342.395 3.111 10 5 EGBERN CCSc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000189053847 456212844 /nfs/dbraw/zinc/21/28/44/456212844.db2.gz YBUWTULGUZOLRV-UHFFFAOYSA-N 0 0 331.397 3.340 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000263772952 456219281 /nfs/dbraw/zinc/21/92/81/456219281.db2.gz SZVWBSAAFVKHDO-OAHLLOKOSA-N 0 0 339.355 3.167 10 5 EGBERN CC(=O)c1ccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000301837383 456229226 /nfs/dbraw/zinc/22/92/26/456229226.db2.gz WAGYSCVSAHRJIL-UHFFFAOYSA-N 0 0 341.323 3.268 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301901458 456246003 /nfs/dbraw/zinc/24/60/03/456246003.db2.gz VPJHCKNNBGYTLZ-HNNXBMFYSA-N 0 0 329.356 3.078 10 5 EGBERN CCSCC[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126129 460721421 /nfs/dbraw/zinc/72/14/21/460721421.db2.gz ZANMKIBCVGFPNN-SSDOTTSWSA-N 0 0 326.344 3.291 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC=C(Br)C1 ZINC000281562966 456265549 /nfs/dbraw/zinc/26/55/49/456265549.db2.gz CXRJYYORJOFHPO-UHFFFAOYSA-N 0 0 326.150 3.111 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(Cl)cn2)c(Br)c1 ZINC000301999539 456267441 /nfs/dbraw/zinc/26/74/41/456267441.db2.gz IMTIBDCECYXMDY-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN COc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(C)c1 ZINC000601131362 460724348 /nfs/dbraw/zinc/72/43/48/460724348.db2.gz YKDJPRUGYOJIKL-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCC=C(Br)C3)nc2c1 ZINC000281665408 456287175 /nfs/dbraw/zinc/28/71/75/456287175.db2.gz PCFJGFZEANEDCQ-UHFFFAOYSA-N 0 0 338.161 3.221 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc([N+](=O)[O-])c1 ZINC000347663834 456290121 /nfs/dbraw/zinc/29/01/21/456290121.db2.gz WGNXOCKRAGVSNN-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CCCN1c1cccnc1 ZINC000302198155 456313877 /nfs/dbraw/zinc/31/38/77/456313877.db2.gz YCESTRJLTXBDPY-OAHLLOKOSA-N 0 0 346.774 3.251 10 5 EGBERN COc1ccc([C@@H](OC)[C@H](C)Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601136221 460727016 /nfs/dbraw/zinc/72/70/16/460727016.db2.gz AZGSRYXKWPTKLK-BONVTDFDSA-N 0 0 335.335 3.326 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000297896527 456319376 /nfs/dbraw/zinc/31/93/76/456319376.db2.gz QRTASRGLCZKHLW-CQSZACIVSA-N 0 0 331.416 3.456 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(Cc2ccccc2)C1 ZINC000601139397 460727974 /nfs/dbraw/zinc/72/79/74/460727974.db2.gz CRXBSXCIKJBHJL-UHFFFAOYSA-N 0 0 340.305 3.026 10 5 EGBERN COc1cc(Br)ccc1CNc1ncccc1[N+](=O)[O-] ZINC000302398400 456340573 /nfs/dbraw/zinc/34/05/73/456340573.db2.gz FFPKYNWWSHUNFT-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCCc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000302517769 456353800 /nfs/dbraw/zinc/35/38/00/456353800.db2.gz HSCMXNMZYPIHLL-UHFFFAOYSA-N 0 0 345.309 3.313 10 5 EGBERN COC(=O)c1cc(N(C)Cc2ccc(O)cc2)cc(C)c1[N+](=O)[O-] ZINC000302617018 456365218 /nfs/dbraw/zinc/36/52/18/456365218.db2.gz GCIXMWHTYTZUCQ-UHFFFAOYSA-N 0 0 330.340 3.032 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000347848355 456403114 /nfs/dbraw/zinc/40/31/14/456403114.db2.gz NKEQTRJDNIANSJ-GZMMTYOYSA-N 0 0 332.278 3.016 10 5 EGBERN COc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337607992 456420505 /nfs/dbraw/zinc/42/05/05/456420505.db2.gz RJIXEEOPTCTKMX-UHFFFAOYSA-N 0 0 345.355 3.242 10 5 EGBERN Cc1cnc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000302874247 456422812 /nfs/dbraw/zinc/42/28/12/456422812.db2.gz DTDGKJLQIHAZNG-LLVKDONJSA-N 0 0 346.353 3.373 10 5 EGBERN Cc1cn([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc1[N+](=O)[O-] ZINC000282145558 456424447 /nfs/dbraw/zinc/42/44/47/456424447.db2.gz BIQVEBIVSWEQEW-NWDGAFQWSA-N 0 0 342.355 3.284 10 5 EGBERN CN(CCCCO)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000276422468 456476184 /nfs/dbraw/zinc/47/61/84/456476184.db2.gz JDTYZWSNZQNOJQ-UHFFFAOYSA-N 0 0 343.383 3.183 10 5 EGBERN CC(C)(C)Oc1cc(NCC[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000343260304 456490179 /nfs/dbraw/zinc/49/01/79/456490179.db2.gz IAWCXALOQDQKBN-GFCCVEGCSA-N 0 0 336.310 3.497 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000348202801 456533971 /nfs/dbraw/zinc/53/39/71/456533971.db2.gz NJKBQOMSTGFSFB-UHFFFAOYSA-N 0 0 344.342 3.056 10 5 EGBERN COc1c(NCc2csc([N+](=O)[O-])c2)cc(Cl)cc1C(N)=O ZINC000340603221 456564146 /nfs/dbraw/zinc/56/41/46/456564146.db2.gz BKYXVZFNRXHUJE-UHFFFAOYSA-N 0 0 341.776 3.029 10 5 EGBERN CCCc1noc(CNc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000340606528 456567376 /nfs/dbraw/zinc/56/73/76/456567376.db2.gz FQUMMOMFFGXIIT-UHFFFAOYSA-N 0 0 341.165 3.305 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248378 456568903 /nfs/dbraw/zinc/56/89/03/456568903.db2.gz UZRSGOIQOUXTMC-PSASIEDQSA-N 0 0 328.294 3.244 10 5 EGBERN CCc1ccc(C(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299019145 456587312 /nfs/dbraw/zinc/58/73/12/456587312.db2.gz VEZUMBHBGXQDIV-UHFFFAOYSA-N 0 0 340.379 3.437 10 5 EGBERN CCOc1cc(C[N@H+](C)CCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000276878712 456607637 /nfs/dbraw/zinc/60/76/37/456607637.db2.gz IOUBMICXOWPVKV-UHFFFAOYSA-N 0 0 335.429 3.433 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000353301318 456623903 /nfs/dbraw/zinc/62/39/03/456623903.db2.gz SVLGXQMLNPUWMW-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN COC(=O)C[C@H]1CCCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000324238717 456663798 /nfs/dbraw/zinc/66/37/98/456663798.db2.gz AHFAHXYUZKVKDF-GFCCVEGCSA-N 0 0 329.356 3.065 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(OC)cc(OC)c2)c1 ZINC000326464986 456695513 /nfs/dbraw/zinc/69/55/13/456695513.db2.gz WOGZHSFZAZAVCT-UHFFFAOYSA-N 0 0 333.296 3.191 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000299446635 456696011 /nfs/dbraw/zinc/69/60/11/456696011.db2.gz MSOGNQTWNTWFDH-UHFFFAOYSA-N 0 0 328.328 3.446 10 5 EGBERN COc1ccc(CNC(=O)N2Cc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000340832279 456707412 /nfs/dbraw/zinc/70/74/12/456707412.db2.gz UHEWOEFPDCWATF-GFCCVEGCSA-N 0 0 341.367 3.390 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCc4ccccc4C3)cc2N1 ZINC000328405974 456712621 /nfs/dbraw/zinc/71/26/21/456712621.db2.gz PURGQRLMOVIWSB-OAHLLOKOSA-N 0 0 337.379 3.449 10 5 EGBERN O=[N+]([O-])c1ccc(CSCCc2nnnn2-c2ccccc2)cc1 ZINC000338221402 456714630 /nfs/dbraw/zinc/71/46/30/456714630.db2.gz ONPRASPBTHDDDZ-UHFFFAOYSA-N 0 0 341.396 3.046 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCC1CCN(c2ccccc2)CC1 ZINC000340866819 456729278 /nfs/dbraw/zinc/72/92/78/456729278.db2.gz KFIPKDALNXEXIL-UHFFFAOYSA-N 0 0 343.431 3.448 10 5 EGBERN Cc1ccoc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000343597592 456732989 /nfs/dbraw/zinc/73/29/89/456732989.db2.gz CVEMCGRZGFOVOM-UHFFFAOYSA-N 0 0 326.255 3.028 10 5 EGBERN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000340897953 456748584 /nfs/dbraw/zinc/74/85/84/456748584.db2.gz KMUQNFHBPMSCCN-RYUDHWBXSA-N 0 0 331.347 3.412 10 5 EGBERN Cc1cc(N(C)C[C@@H]2CCCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301078012 456791012 /nfs/dbraw/zinc/79/10/12/456791012.db2.gz JDTUFIAHIABQLT-INIZCTEOSA-N 0 0 342.399 3.366 10 5 EGBERN CC(=O)NC1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291904491 456794495 /nfs/dbraw/zinc/79/44/95/456794495.db2.gz KJCYOQYUQJRKAG-UHFFFAOYSA-N 0 0 328.372 3.002 10 5 EGBERN COc1cc2c(cc1F)CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000348788878 456858146 /nfs/dbraw/zinc/85/81/46/456858146.db2.gz AAUPSZLDARGUPF-UHFFFAOYSA-N 0 0 346.358 3.180 10 5 EGBERN CN(Cc1cnccn1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339011269 456899438 /nfs/dbraw/zinc/89/94/38/456899438.db2.gz AMOLOPODRUOQLX-UHFFFAOYSA-N 0 0 326.278 3.036 10 5 EGBERN O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000349241801 456920797 /nfs/dbraw/zinc/92/07/97/456920797.db2.gz IMAUJZPVOJNXEO-BBRMVZONSA-N 0 0 343.383 3.332 10 5 EGBERN C[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO[C@@H]1C1CC1 ZINC000345132632 456936911 /nfs/dbraw/zinc/93/69/11/456936911.db2.gz CUKCQLHGVULYCH-SJLPKXTDSA-N 0 0 343.383 3.011 10 5 EGBERN CC(=O)c1cc(NCCCc2nc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000341782124 456942421 /nfs/dbraw/zinc/94/24/21/456942421.db2.gz YJYQGODMWBABNG-UHFFFAOYSA-N 0 0 332.360 3.349 10 5 EGBERN O=C(NCc1nc(-c2ccncc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000339118397 456949354 /nfs/dbraw/zinc/94/93/54/456949354.db2.gz MWPMWWFIVJCPJS-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)c1cccc([N+](=O)[O-])c1 ZINC000345202011 456965761 /nfs/dbraw/zinc/96/57/61/456965761.db2.gz GYMCXSKGYKSQJG-HOCLYGCPSA-N 0 0 341.367 3.181 10 5 EGBERN Cc1nc2ccccc2n1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000339219730 456998414 /nfs/dbraw/zinc/99/84/14/456998414.db2.gz RGFCLLMDFJOVLT-HNNXBMFYSA-N 0 0 337.383 3.317 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cc2ccccc2[nH]1 ZINC000362666379 457033935 /nfs/dbraw/zinc/03/39/35/457033935.db2.gz QAEHJNYLMGZKDO-UHFFFAOYSA-N 0 0 345.305 3.213 10 5 EGBERN CCOC(=O)c1nnc(Sc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000362685088 457043436 /nfs/dbraw/zinc/04/34/36/457043436.db2.gz RIJCJEGPFZTXSY-UHFFFAOYSA-N 0 0 325.371 3.083 10 5 EGBERN CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000354081066 457049026 /nfs/dbraw/zinc/04/90/26/457049026.db2.gz DXONYWRBBQBKRQ-AWEZNQCLSA-N 0 0 327.375 3.065 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)cc([N+](=O)[O-])c1C ZINC000346653554 457093563 /nfs/dbraw/zinc/09/35/63/457093563.db2.gz JBNHJUKENRBMGP-GXSJLCMTSA-N 0 0 333.344 3.244 10 5 EGBERN Cn1c(COc2c(Cl)cncc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000349919230 457107914 /nfs/dbraw/zinc/10/79/14/457107914.db2.gz CUBQUKUBPAARBJ-UHFFFAOYSA-N 0 0 345.746 3.018 10 5 EGBERN O=C(COc1c(Cl)cncc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000349948517 457117308 /nfs/dbraw/zinc/11/73/08/457117308.db2.gz PKXCJQKGYCQMED-UHFFFAOYSA-N 0 0 334.706 3.417 10 5 EGBERN CCCNC(=O)CCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356736099 457142103 /nfs/dbraw/zinc/14/21/03/457142103.db2.gz NZMNCEOLEKKDDV-UHFFFAOYSA-N 0 0 335.404 3.137 10 5 EGBERN CCCCOCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356745927 457146495 /nfs/dbraw/zinc/14/64/95/457146495.db2.gz QNPLANNFDHBONT-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN CO[C@H](C)c1noc(CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000354294871 457178933 /nfs/dbraw/zinc/17/89/33/457178933.db2.gz DXWBNVPJHNERCD-GFCCVEGCSA-N 0 0 348.403 3.441 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CCc2ccc(C)o2)n1 ZINC000342295984 457220049 /nfs/dbraw/zinc/22/00/49/457220049.db2.gz PKIJSHMZCRTMRI-SNVBAGLBSA-N 0 0 333.344 3.111 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347086358 457223315 /nfs/dbraw/zinc/22/33/15/457223315.db2.gz JJJPHKWHHQXNHQ-KZULUSFZSA-N 0 0 326.352 3.023 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccccc3)no2)n1 ZINC000347094108 457226304 /nfs/dbraw/zinc/22/63/04/457226304.db2.gz VPRUJEBURSVULP-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN Cc1nn(CCC(=O)Nc2ccc(C3CCC3)cn2)c(C)c1[N+](=O)[O-] ZINC000360067542 457235748 /nfs/dbraw/zinc/23/57/48/457235748.db2.gz BIIONPYMMICHPC-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN O=C(NCCCNc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000342348026 457249172 /nfs/dbraw/zinc/24/91/72/457249172.db2.gz ANOJEERSEPDRHO-UHFFFAOYSA-N 0 0 332.335 3.358 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(CCO)CCCCC2)c1 ZINC000360112479 457261779 /nfs/dbraw/zinc/26/17/79/457261779.db2.gz MZIVIYQTMUEKSU-UHFFFAOYSA-N 0 0 336.388 3.126 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360174449 457289352 /nfs/dbraw/zinc/28/93/52/457289352.db2.gz KIGHPJVDLZKCLJ-JTQLQIEISA-N 0 0 341.293 3.047 10 5 EGBERN CC[C@@H]1Oc2cc([C@H](C)Nc3ccc([N+](=O)[O-])nc3)ccc2NC1=O ZINC000342438863 457304643 /nfs/dbraw/zinc/30/46/43/457304643.db2.gz QCGCXSJOMGHKEC-HZMBPMFUSA-N 0 0 342.355 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)CC[C@H]1C ZINC000360442537 457311554 /nfs/dbraw/zinc/31/15/54/457311554.db2.gz KBPXRGWSPQCIIW-GXFFZTMASA-N 0 0 326.418 3.021 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC2CCC1CC2 ZINC000351683847 457311852 /nfs/dbraw/zinc/31/18/52/457311852.db2.gz PNTCBILARJJLPR-SEEARECTSA-N 0 0 327.384 3.244 10 5 EGBERN Cc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C1CC1 ZINC000351957498 457324003 /nfs/dbraw/zinc/32/40/03/457324003.db2.gz REZGMYOVSJQOJR-QGZVFWFLSA-N 0 0 325.368 3.488 10 5 EGBERN CC[C@](C)(OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347290010 457333879 /nfs/dbraw/zinc/33/38/79/457333879.db2.gz LSVYPCYGRQZXHA-LBPRGKRZSA-N 0 0 331.166 3.111 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(Cl)cc1 ZINC000360841260 457379220 /nfs/dbraw/zinc/37/92/20/457379220.db2.gz GIOLKWREZRKVRX-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN CSCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000357226600 457385239 /nfs/dbraw/zinc/38/52/39/457385239.db2.gz TXMNWVCZRZRIHR-UHFFFAOYSA-N 0 0 344.190 3.194 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000360857271 457387956 /nfs/dbraw/zinc/38/79/56/457387956.db2.gz IUKBSNKEKLBZMQ-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN CN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000355728695 457408032 /nfs/dbraw/zinc/40/80/32/457408032.db2.gz DVJXCSXVNWNLEP-HNNXBMFYSA-N 0 0 343.383 3.184 10 5 EGBERN C[C@H](Cc1ccccc1F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357321682 457444406 /nfs/dbraw/zinc/44/44/06/457444406.db2.gz AYIPUPZRNYAREK-LLVKDONJSA-N 0 0 342.330 3.449 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)Cc1nccs1 ZINC000357361070 457472011 /nfs/dbraw/zinc/47/20/11/457472011.db2.gz ILTLOROKHCRWHO-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)CO ZINC000347573595 457519174 /nfs/dbraw/zinc/51/91/74/457519174.db2.gz BEZKSLZXKVWNCJ-NEPJUHHUSA-N 0 0 340.445 3.234 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2)C1 ZINC000374209540 457523467 /nfs/dbraw/zinc/52/34/67/457523467.db2.gz CFJZSIJQXRGUFZ-AWEZNQCLSA-N 0 0 330.315 3.027 10 5 EGBERN C[C@@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000357473373 457549797 /nfs/dbraw/zinc/54/97/97/457549797.db2.gz KJMGLJFFXUBTEE-BZNIZROVSA-N 0 0 348.786 3.029 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000408171678 457561834 /nfs/dbraw/zinc/56/18/34/457561834.db2.gz MIOKIFBBOHRYMA-CZUORRHYSA-N 0 0 338.429 3.104 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@H]1C ZINC000361072202 457563307 /nfs/dbraw/zinc/56/33/07/457563307.db2.gz FTMNPQUUBMWPAH-CHWSQXEVSA-N 0 0 325.368 3.499 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](c3ccncn3)C2)c2ccncc21 ZINC000364364380 457581056 /nfs/dbraw/zinc/58/10/56/457581056.db2.gz UXFFFPCBJUTLOW-ZDUSSCGKSA-N 0 0 335.367 3.317 10 5 EGBERN CNc1c(C(=O)NCc2cc(Cl)ccc2OC)cccc1[N+](=O)[O-] ZINC000361170596 457627335 /nfs/dbraw/zinc/62/73/35/457627335.db2.gz JYRVKBGBGOOVRF-UHFFFAOYSA-N 0 0 349.774 3.229 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540272 457652737 /nfs/dbraw/zinc/65/27/37/457652737.db2.gz WSFDTBYVMNPLCR-ZWKOTPCHSA-N 0 0 330.359 3.199 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357684568 457654085 /nfs/dbraw/zinc/65/40/85/457654085.db2.gz HUHICVJNHHTEOI-SUMWQHHRSA-N 0 0 344.342 3.242 10 5 EGBERN COc1cc(N2CCC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000374588429 457666784 /nfs/dbraw/zinc/66/67/84/457666784.db2.gz WFHKBYHDOOMQCI-IBGZPJMESA-N 0 0 342.395 3.134 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370551943 457671557 /nfs/dbraw/zinc/67/15/57/457671557.db2.gz MSFAMUGFPADFEL-OAHLLOKOSA-N 0 0 341.367 3.426 10 5 EGBERN Cc1cc(NC[C@H](CO)C2CC2)c(Br)cc1[N+](=O)[O-] ZINC000357826051 457702853 /nfs/dbraw/zinc/70/28/53/457702853.db2.gz KQDXECRRZXCNMG-SNVBAGLBSA-N 0 0 329.194 3.096 10 5 EGBERN CCc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000374973449 457743454 /nfs/dbraw/zinc/74/34/54/457743454.db2.gz QIOQDLKFQVGIAS-CYBMUJFWSA-N 0 0 332.400 3.188 10 5 EGBERN CCc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000370956854 457743945 /nfs/dbraw/zinc/74/39/45/457743945.db2.gz QXHOVKZPGLXTSD-CQSZACIVSA-N 0 0 344.371 3.216 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1COC ZINC000410965630 457773144 /nfs/dbraw/zinc/77/31/44/457773144.db2.gz CHAUDBMBPNBGEQ-ZDUSSCGKSA-N 0 0 338.429 3.348 10 5 EGBERN Cc1noc(C2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000371190530 457821536 /nfs/dbraw/zinc/82/15/36/457821536.db2.gz MYNBXKKYYGSSCY-UHFFFAOYSA-N 0 0 337.767 3.473 10 5 EGBERN CCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411383801 457870055 /nfs/dbraw/zinc/87/00/55/457870055.db2.gz GUTVQRGUYYKVES-UHFFFAOYSA-N 0 0 332.360 3.241 10 5 EGBERN CC[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366649847 457875105 /nfs/dbraw/zinc/87/51/05/457875105.db2.gz DYBJWXUGPQGNPK-XHDPSFHLSA-N 0 0 326.780 3.023 10 5 EGBERN CCc1n[nH]c(C(=O)NC2(c3ccccc3)CCCCC2)c1[N+](=O)[O-] ZINC000444272377 457877922 /nfs/dbraw/zinc/87/79/22/457877922.db2.gz WMDWBXVDJGKHOU-UHFFFAOYSA-N 0 0 342.399 3.470 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1[N+](=O)[O-] ZINC000458013647 457902530 /nfs/dbraw/zinc/90/25/30/457902530.db2.gz BIYHKRSUTPLZMB-DZGCQCFKSA-N 0 0 344.342 3.419 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411581586 457923425 /nfs/dbraw/zinc/92/34/25/457923425.db2.gz JAJKSSCUFKAKBW-SJLPKXTDSA-N 0 0 328.343 3.138 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000375546874 457967034 /nfs/dbraw/zinc/96/70/34/457967034.db2.gz RCRHLIZASARVJT-SUMWQHHRSA-N 0 0 337.383 3.462 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCC(F)(F)C1 ZINC000427351358 457976167 /nfs/dbraw/zinc/97/61/67/457976167.db2.gz DFRJFSCVMUXMHR-JTQLQIEISA-N 0 0 332.734 3.485 10 5 EGBERN CN(Cc1cc(Cl)ccc1F)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000434342385 457978674 /nfs/dbraw/zinc/97/86/74/457978674.db2.gz RFBVHDBTWXEODF-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN CCC[C@@]1(C(=O)OCC)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000444793172 457979932 /nfs/dbraw/zinc/97/99/32/457979932.db2.gz RHMMIQAQQIBMHQ-HNNXBMFYSA-N 0 0 326.418 3.354 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(C2CCC2)CCC1 ZINC000458241005 457984128 /nfs/dbraw/zinc/98/41/28/457984128.db2.gz RMFIOOPGMSXNDB-UHFFFAOYSA-N 0 0 327.384 3.389 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(F)ccc12 ZINC000434422831 457992429 /nfs/dbraw/zinc/99/24/29/457992429.db2.gz BYKSFZQXNHKNCT-UHFFFAOYSA-N 0 0 342.330 3.057 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCCC3CC3)cc2[N+](=O)[O-])C1 ZINC000361989590 457994046 /nfs/dbraw/zinc/99/40/46/457994046.db2.gz SCEHBCWORASIRW-ZDUSSCGKSA-N 0 0 331.416 3.361 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)ns2)n1 ZINC000427594047 458005804 /nfs/dbraw/zinc/00/58/04/458005804.db2.gz WKUBLNWFKDJVLH-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN O=C(NCc1cscn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445200123 458024679 /nfs/dbraw/zinc/02/46/79/458024679.db2.gz ZPPCSOCWHWJCMM-UHFFFAOYSA-N 0 0 335.388 3.068 10 5 EGBERN Cc1cnccc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445195405 458024766 /nfs/dbraw/zinc/02/47/66/458024766.db2.gz ZVIPPVLRXKVTBJ-UHFFFAOYSA-N 0 0 329.359 3.059 10 5 EGBERN COc1ncc(CSCCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358478269 458026289 /nfs/dbraw/zinc/02/62/89/458026289.db2.gz BAVIKDLKPRDLBU-UHFFFAOYSA-N 0 0 335.385 3.014 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000375702518 458029276 /nfs/dbraw/zinc/02/92/76/458029276.db2.gz CDRKSNBOFNMKGX-SFHVURJKSA-N 0 0 343.358 3.030 10 5 EGBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cccn2)c1 ZINC000427987280 458062788 /nfs/dbraw/zinc/06/27/88/458062788.db2.gz AHYUAMSAJDXXRV-GFCCVEGCSA-N 0 0 348.366 3.252 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428000415 458063285 /nfs/dbraw/zinc/06/32/85/458063285.db2.gz JWHGBJXDHBPAFM-UHFFFAOYSA-N 0 0 343.412 3.443 10 5 EGBERN C/C(=C/c1ccc(F)cc1)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445616364 458071470 /nfs/dbraw/zinc/07/14/70/458071470.db2.gz QQRGEUYXUCZLPQ-HJWRWDBZSA-N 0 0 343.318 3.386 10 5 EGBERN C[C@@]12CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000358554870 458074012 /nfs/dbraw/zinc/07/40/12/458074012.db2.gz LYPIUDGSIVKZJA-GXTWGEPZSA-N 0 0 342.367 3.191 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428105342 458081522 /nfs/dbraw/zinc/08/15/22/458081522.db2.gz DODMQJVCZBSDIW-LJGDNWOOSA-N 0 0 343.427 3.359 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000375829632 458083762 /nfs/dbraw/zinc/08/37/62/458083762.db2.gz KBCDMJAIHAEEDO-UHFFFAOYSA-N 0 0 345.786 3.145 10 5 EGBERN CCSCCCc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000445748726 458084250 /nfs/dbraw/zinc/08/42/50/458084250.db2.gz DWYAOSKLWVGNLZ-UHFFFAOYSA-N 0 0 325.394 3.177 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCNc1ccccc1F ZINC000428187989 458092149 /nfs/dbraw/zinc/09/21/49/458092149.db2.gz YZPLVSOSXPYMHR-UHFFFAOYSA-N 0 0 346.362 3.008 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412299223 458159486 /nfs/dbraw/zinc/15/94/86/458159486.db2.gz OEJCALHIIOABJB-GJQVQUKXSA-N 0 0 342.317 3.498 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1(C)CCCC1 ZINC000428660191 458187085 /nfs/dbraw/zinc/18/70/85/458187085.db2.gz LOBOUDWRGVYHJG-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000376268890 458254137 /nfs/dbraw/zinc/25/41/37/458254137.db2.gz WZTCBOQQDPZVLT-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000446991237 458255632 /nfs/dbraw/zinc/25/56/32/458255632.db2.gz WCYNXSCHCIWKAR-OAHLLOKOSA-N 0 0 341.411 3.405 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N[C@@H](c2nc[nH]n2)c2ccccc2)c(F)c1 ZINC000372268145 458255815 /nfs/dbraw/zinc/25/58/15/458255815.db2.gz OXBDKYAWFBGHIU-CYBMUJFWSA-N 0 0 331.282 3.193 10 5 EGBERN Cc1n[nH]c(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000412665046 458263786 /nfs/dbraw/zinc/26/37/86/458263786.db2.gz DRIUGWNQIWWDFY-CQSZACIVSA-N 0 0 340.383 3.036 10 5 EGBERN COc1cc(CN2Cc3ccccc3O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429125095 458276257 /nfs/dbraw/zinc/27/62/57/458276257.db2.gz CLPRKVRXLIIAJA-CYBMUJFWSA-N 0 0 328.368 3.387 10 5 EGBERN CC(C)(C)c1cc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000430126309 458405465 /nfs/dbraw/zinc/40/54/65/458405465.db2.gz DIKZFBPAXCFIPO-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000430197582 458420081 /nfs/dbraw/zinc/42/00/81/458420081.db2.gz VLEMSTLIPYIBGN-UHFFFAOYSA-N 0 0 330.388 3.330 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000430234585 458425811 /nfs/dbraw/zinc/42/58/11/458425811.db2.gz AWFDMZODTWBETP-MRXNPFEDSA-N 0 0 329.400 3.258 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000373199353 458428021 /nfs/dbraw/zinc/42/80/21/458428021.db2.gz ZQHGUPMZBOPTBN-HNNXBMFYSA-N 0 0 339.307 3.466 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249181 458428937 /nfs/dbraw/zinc/42/89/37/458428937.db2.gz IBAWZDGNFJWOEZ-ATNYBXOESA-N 0 0 334.416 3.314 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000430786058 458491893 /nfs/dbraw/zinc/49/18/93/458491893.db2.gz NGZPCGYUFPZSTL-UGSOOPFHSA-N 0 0 332.400 3.321 10 5 EGBERN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468874677 458540707 /nfs/dbraw/zinc/54/07/07/458540707.db2.gz GNCNOVRCDFFAKK-CABZTGNLSA-N 0 0 333.310 3.242 10 5 EGBERN COc1cc(CSCc2nc(C(F)F)no2)ccc1[N+](=O)[O-] ZINC000424147320 458570338 /nfs/dbraw/zinc/57/03/38/458570338.db2.gz CLEUCMZDCHRAAW-UHFFFAOYSA-N 0 0 331.300 3.357 10 5 EGBERN Cc1ccc(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000462574365 458632053 /nfs/dbraw/zinc/63/20/53/458632053.db2.gz QTOTVGPCKYIKBE-UHFFFAOYSA-N 0 0 335.363 3.363 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432160739 458692091 /nfs/dbraw/zinc/69/20/91/458692091.db2.gz BDEJQMOBDDQHBQ-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456566977 458716199 /nfs/dbraw/zinc/71/61/99/458716199.db2.gz ORLCHNIOYAPTJS-QGZVFWFLSA-N 0 0 326.352 3.484 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nnc3n2CCCCC3)c2cccnc21 ZINC000432661578 458769302 /nfs/dbraw/zinc/76/93/02/458769302.db2.gz WAUFXFVZPXWANC-UHFFFAOYSA-N 0 0 339.355 3.040 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466140844 458881213 /nfs/dbraw/zinc/88/12/13/458881213.db2.gz DIJCPBUCHXBDCC-INIZCTEOSA-N 0 0 349.431 3.128 10 5 EGBERN CCOc1cc(C(=O)N2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457335621 458924876 /nfs/dbraw/zinc/92/48/76/458924876.db2.gz YUWJFPPRPOOSGP-UHFFFAOYSA-N 0 0 336.388 3.120 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457349745 458928172 /nfs/dbraw/zinc/92/81/72/458928172.db2.gz CMFBSBRZHYXUMT-UHFFFAOYSA-N 0 0 328.372 3.103 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000566466046 458941400 /nfs/dbraw/zinc/94/14/00/458941400.db2.gz MCQNMDDBKKIDIU-GFCCVEGCSA-N 0 0 331.397 3.298 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC1CCN(CC(F)(F)F)CC1 ZINC000566477543 458945573 /nfs/dbraw/zinc/94/55/73/458945573.db2.gz FKBMTIYELDRKRB-UHFFFAOYSA-N 0 0 333.310 3.042 10 5 EGBERN Cc1cccnc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701763 458985623 /nfs/dbraw/zinc/98/56/23/458985623.db2.gz JKWOIJCQPZIXFT-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN CC(C)C[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577292423 459011889 /nfs/dbraw/zinc/01/18/89/459011889.db2.gz GLXIWURSQRJGOW-GFCCVEGCSA-N 0 0 332.404 3.352 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC(F)(c2ccccc2F)C1 ZINC000589941555 459054814 /nfs/dbraw/zinc/05/48/14/459054814.db2.gz MQMYPARCFSZXIM-UHFFFAOYSA-N 0 0 333.294 3.446 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)ccc1[N+](=O)[O-] ZINC000567286459 459080003 /nfs/dbraw/zinc/08/00/03/459080003.db2.gz LMIQMMGOWPTSGF-HNNXBMFYSA-N 0 0 327.384 3.296 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(C2(c3ccncc3)CCC2)no1 ZINC000594531804 459080617 /nfs/dbraw/zinc/08/06/17/459080617.db2.gz XAJQEAWBMKMWCO-UHFFFAOYSA-N 0 0 337.339 3.213 10 5 EGBERN COC(=O)Cc1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594590252 459100944 /nfs/dbraw/zinc/10/09/44/459100944.db2.gz JIBPTMMCJHOBRH-FUHWJXTLSA-N 0 0 348.399 3.070 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000594598657 459104768 /nfs/dbraw/zinc/10/47/68/459104768.db2.gz GWZIBBDLZBXJNX-OAHLLOKOSA-N 0 0 343.383 3.355 10 5 EGBERN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594601095 459106468 /nfs/dbraw/zinc/10/64/68/459106468.db2.gz SZFUFZKGJSQLKP-LLVKDONJSA-N 0 0 336.417 3.232 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000567620877 459134859 /nfs/dbraw/zinc/13/48/59/459134859.db2.gz RLCYXQKOVWIZLM-QRTARXTBSA-N 0 0 336.432 3.077 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590557336 459148142 /nfs/dbraw/zinc/14/81/42/459148142.db2.gz WZKUHKFVVLGAGV-AWEZNQCLSA-N 0 0 330.365 3.203 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c1 ZINC000590712686 459191459 /nfs/dbraw/zinc/19/14/59/459191459.db2.gz CXRDHLYBHIMFAF-IAOVAPTHSA-N 0 0 342.399 3.058 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1c(C2CCC2)cnn1C ZINC000594982278 459205358 /nfs/dbraw/zinc/20/53/58/459205358.db2.gz FABVNGHCTRAJIQ-UHFFFAOYSA-N 0 0 344.415 3.284 10 5 EGBERN C[C@H]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578573301 459223696 /nfs/dbraw/zinc/22/36/96/459223696.db2.gz SCYKIJTVCQBCMZ-JSGCOSHPSA-N 0 0 344.415 3.497 10 5 EGBERN C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064159 459232819 /nfs/dbraw/zinc/23/28/19/459232819.db2.gz DRTLRSUVRBDWBN-WKPIXPDZSA-N 0 0 327.388 3.204 10 5 EGBERN COc1ccnc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1F ZINC000595082295 459239459 /nfs/dbraw/zinc/23/94/59/459239459.db2.gz YDLNDYVUUKZTRH-AWEZNQCLSA-N 0 0 331.347 3.305 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000595107852 459247779 /nfs/dbraw/zinc/24/77/79/459247779.db2.gz GPRDFOVNPNUHQS-LBPRGKRZSA-N 0 0 335.404 3.091 10 5 EGBERN C[C@@H]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000481611831 459266118 /nfs/dbraw/zinc/26/61/18/459266118.db2.gz SNWBCMBVPPDNEJ-UMVBOHGHSA-N 0 0 340.445 3.087 10 5 EGBERN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595469230 459313521 /nfs/dbraw/zinc/31/35/21/459313521.db2.gz ODEYVNZSOWYZLY-LRVUVFPRSA-N 0 0 337.395 3.353 10 5 EGBERN CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000591177295 459329062 /nfs/dbraw/zinc/32/90/62/459329062.db2.gz RFIDAFJPAGLHEG-SJLPKXTDSA-N 0 0 341.411 3.442 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000595532454 459335388 /nfs/dbraw/zinc/33/53/88/459335388.db2.gz WEZSOZOTNXGWCD-SJLPKXTDSA-N 0 0 348.349 3.034 10 5 EGBERN Cc1nocc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595562373 459347885 /nfs/dbraw/zinc/34/78/85/459347885.db2.gz JJBHCGKIZXTLQU-QAQDUYKDSA-N 0 0 345.399 3.197 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc(OC)c1C(C)C ZINC000540912342 459401250 /nfs/dbraw/zinc/40/12/50/459401250.db2.gz REHBQQZQBHGALY-UHFFFAOYSA-N 0 0 347.371 3.326 10 5 EGBERN COc1ccc(CNC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000540986612 459415279 /nfs/dbraw/zinc/41/52/79/459415279.db2.gz ADBKIVRWSYVBHS-FZKQIMNGSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000540996141 459416968 /nfs/dbraw/zinc/41/69/68/459416968.db2.gz YEOGLQGMYFXQSV-KDOFPFPSSA-N 0 0 331.416 3.359 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000561192618 459429273 /nfs/dbraw/zinc/42/92/73/459429273.db2.gz SVCOGKXDMSNTDF-ZUZCIYMTSA-N 0 0 341.367 3.430 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781435 459437346 /nfs/dbraw/zinc/43/73/46/459437346.db2.gz SXUOCWNYSQFOJF-FRRDWIJNSA-N 0 0 346.387 3.205 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H](CCO)c1ccccc1)CCCC2 ZINC000582841752 459437672 /nfs/dbraw/zinc/43/76/72/459437672.db2.gz BBUXWWGWFGTCIK-MRXNPFEDSA-N 0 0 341.411 3.447 10 5 EGBERN CC[C@H]1CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569519934 459464224 /nfs/dbraw/zinc/46/42/24/459464224.db2.gz JTDCUVSMMXMSDI-ZDUSSCGKSA-N 0 0 330.388 3.203 10 5 EGBERN CCOc1cc(CN2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595887412 459474844 /nfs/dbraw/zinc/47/48/44/459474844.db2.gz SHKDHRJAAQPUGM-GFCCVEGCSA-N 0 0 348.321 3.147 10 5 EGBERN C[C@@H]1OCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C(F)(F)F ZINC000595894230 459477921 /nfs/dbraw/zinc/47/79/21/459477921.db2.gz VWXNBIDKFSCORY-UFBFGSQYSA-N 0 0 338.713 3.400 10 5 EGBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000591918722 459483391 /nfs/dbraw/zinc/48/33/91/459483391.db2.gz WTSXBYVRBYQJTJ-ZANVPECISA-N 0 0 345.321 3.025 10 5 EGBERN COc1ccc(CNC(=O)N2CCCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000591925625 459487497 /nfs/dbraw/zinc/48/74/97/459487497.db2.gz VVFQHHVBENHGHC-HNNXBMFYSA-N 0 0 347.415 3.468 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC([C@@H]3CCOC3)CC1)CCCC2 ZINC000591930261 459489596 /nfs/dbraw/zinc/48/95/96/459489596.db2.gz KYLCQNMNSCOMKY-OAHLLOKOSA-N 0 0 331.416 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000541816749 459493655 /nfs/dbraw/zinc/49/36/55/459493655.db2.gz MOTDWYXDTUAXHP-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN CN(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000486254728 459494702 /nfs/dbraw/zinc/49/47/02/459494702.db2.gz HZDSPJNQKIHBHA-UHFFFAOYSA-N 0 0 346.431 3.101 10 5 EGBERN CC[C@H](NC(=O)NCCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591975423 459502468 /nfs/dbraw/zinc/50/24/68/459502468.db2.gz MDBSXLXFQUCBRL-HNNXBMFYSA-N 0 0 335.404 3.162 10 5 EGBERN CC[C@H](NC(=O)N1C[C@@H](C)OC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591972901 459502488 /nfs/dbraw/zinc/50/24/88/459502488.db2.gz BNDBHWQYUIFXMS-CJNGLKHVSA-N 0 0 347.415 3.399 10 5 EGBERN CC1(C)CCC[C@@H]1[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000591982696 459504505 /nfs/dbraw/zinc/50/45/05/459504505.db2.gz PXCDIBVPKTXJAG-QWHCGFSZSA-N 0 0 329.404 3.290 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2ccccn2)c1 ZINC000542043986 459522966 /nfs/dbraw/zinc/52/29/66/459522966.db2.gz BFPGYRIEUAWDJB-AWEZNQCLSA-N 0 0 327.340 3.118 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC000592110901 459527138 /nfs/dbraw/zinc/52/71/38/459527138.db2.gz DYCNLQJESIUDON-MRXNPFEDSA-N 0 0 338.429 3.079 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596132016 459530828 /nfs/dbraw/zinc/53/08/28/459530828.db2.gz RYGWSPGOKIICIY-UHFFFAOYSA-N 0 0 342.779 3.040 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596133549 459532214 /nfs/dbraw/zinc/53/22/14/459532214.db2.gz HUDPOMOAFUQTAA-ZDUSSCGKSA-N 0 0 327.384 3.070 10 5 EGBERN COc1cc(NC[C@@H](C)C(=O)OC(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596138683 459533937 /nfs/dbraw/zinc/53/39/37/459533937.db2.gz BUOMMASGHDFKGF-SECBINFHSA-N 0 0 330.768 3.256 10 5 EGBERN COc1cc(N2CC[C@H]([C@H]3CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596170959 459546681 /nfs/dbraw/zinc/54/66/81/459546681.db2.gz BMJMDZMPXIKTSU-QWRGUYRKSA-N 0 0 326.780 3.120 10 5 EGBERN O=c1[nH]ccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000596187339 459553743 /nfs/dbraw/zinc/55/37/43/459553743.db2.gz QPOLPCIKQVWTEX-ZDUSSCGKSA-N 0 0 343.387 3.497 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)c1 ZINC000596192792 459556224 /nfs/dbraw/zinc/55/62/24/459556224.db2.gz JIZQRMVOCRQLGG-CQSZACIVSA-N 0 0 339.395 3.304 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592243394 459558937 /nfs/dbraw/zinc/55/89/37/459558937.db2.gz YKOQMSVOYWURCW-MRXNPFEDSA-N 0 0 347.415 3.378 10 5 EGBERN COc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223616 459566194 /nfs/dbraw/zinc/56/61/94/459566194.db2.gz PTKKESKTPSHDBO-VFZGTOFNSA-N 0 0 326.780 3.261 10 5 EGBERN O=[N+]([O-])c1cc(NC[C@H](CO)c2cccnc2)ccc1C(F)(F)F ZINC000596235812 459570559 /nfs/dbraw/zinc/57/05/59/459570559.db2.gz MKMKGJIEWQQWFD-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN NC(=O)c1cc(N2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596258532 459576566 /nfs/dbraw/zinc/57/65/66/459576566.db2.gz KFFKLJZIAPPGGF-HNNXBMFYSA-N 0 0 327.340 3.018 10 5 EGBERN COc1cc(N2CC[C@@H](O)CC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596258859 459576827 /nfs/dbraw/zinc/57/68/27/459576827.db2.gz NQUFEBBUPBZLND-SNVBAGLBSA-N 0 0 328.796 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596259192 459578185 /nfs/dbraw/zinc/57/81/85/459578185.db2.gz UKHNKRHTKGNPPF-RMLUDKJBSA-N 0 0 342.779 3.260 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCC[C@@H](CO)C1 ZINC000596278051 459581928 /nfs/dbraw/zinc/58/19/28/459581928.db2.gz LOGVHGUHXXFXIG-ZJUUUORDSA-N 0 0 329.194 3.320 10 5 EGBERN COc1cc(N2C[C@H](C)OC3(CCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596290944 459586436 /nfs/dbraw/zinc/58/64/36/459586436.db2.gz HVFYCIMBILHESY-JTQLQIEISA-N 0 0 326.780 3.405 10 5 EGBERN C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000596296806 459587637 /nfs/dbraw/zinc/58/76/37/459587637.db2.gz CHCRGBRDNMFIMN-UTUOFQBUSA-N 0 0 343.374 3.442 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccccn3)C2)c1 ZINC000596305721 459589907 /nfs/dbraw/zinc/58/99/07/459589907.db2.gz KOVQDJPNNCLDLC-AWEZNQCLSA-N 0 0 341.367 3.160 10 5 EGBERN CO[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000596319224 459595094 /nfs/dbraw/zinc/59/50/94/459595094.db2.gz VQZUNJPOZKJZHV-NOZJJQNGSA-N 0 0 334.294 3.077 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ncnn21 ZINC000596342629 459602217 /nfs/dbraw/zinc/60/22/17/459602217.db2.gz IBFVZJPGVIEMQA-XVKPBYJWSA-N 0 0 338.165 3.067 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ncnn21 ZINC000596345498 459602725 /nfs/dbraw/zinc/60/27/25/459602725.db2.gz LTCULMHHMCVFNV-HQJQHLMTSA-N 0 0 338.165 3.067 10 5 EGBERN O=C(CCSCCC[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000592459239 459605082 /nfs/dbraw/zinc/60/50/82/459605082.db2.gz QMIAULLLXZZFBD-ZDUSSCGKSA-N 0 0 338.429 3.473 10 5 EGBERN CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904741 459610493 /nfs/dbraw/zinc/61/04/93/459610493.db2.gz KHYRKXOBYOXIAY-TZMCWYRMSA-N 0 0 327.375 3.317 10 5 EGBERN CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922386 459612556 /nfs/dbraw/zinc/61/25/56/459612556.db2.gz CIKFPRBIZILWRZ-QWHCGFSZSA-N 0 0 327.375 3.317 10 5 EGBERN C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000592528280 459626658 /nfs/dbraw/zinc/62/66/58/459626658.db2.gz HDNFZKGMTZRZSM-JTQLQIEISA-N 0 0 349.774 3.128 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@H]2CC2(F)F)cc1C(F)(F)F ZINC000596446318 459638785 /nfs/dbraw/zinc/63/87/85/459638785.db2.gz DSQNYNCUZWFSJL-JTQLQIEISA-N 0 0 326.221 3.450 10 5 EGBERN Cc1cc(N2C[C@@H](C)C(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596446057 459639153 /nfs/dbraw/zinc/63/91/53/459639153.db2.gz DGDGNURBJJKWTJ-VXGBXAGGSA-N 0 0 340.383 3.022 10 5 EGBERN CC[C@@H](NC(=O)N1CC2(CCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596451803 459642134 /nfs/dbraw/zinc/64/21/34/459642134.db2.gz BSNAOHYWOPOODL-CZUORRHYSA-N 0 0 347.415 3.399 10 5 EGBERN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H](C)C1O ZINC000596470105 459648168 /nfs/dbraw/zinc/64/81/68/459648168.db2.gz QZYKGBLNXYKYTC-GHMZBOCLSA-N 0 0 333.413 3.171 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000596482915 459652340 /nfs/dbraw/zinc/65/23/40/459652340.db2.gz MMAUNMWLYBVPPK-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC3(CC3(F)F)CC2)n1 ZINC000596501821 459657918 /nfs/dbraw/zinc/65/79/18/459657918.db2.gz PTANVBKWHJPCIV-UHFFFAOYSA-N 0 0 341.314 3.156 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000596502881 459658812 /nfs/dbraw/zinc/65/88/12/459658812.db2.gz HBWRISOEWOEIAJ-JOYOIKCWSA-N 0 0 347.293 3.168 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000592675918 459662198 /nfs/dbraw/zinc/66/21/98/459662198.db2.gz GRJGOSMPSJIODS-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN COc1ccc(C(=O)NC2(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000592676145 459662215 /nfs/dbraw/zinc/66/22/15/459662215.db2.gz KGCPHJBXDPJDHD-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN COc1ccccc1C1(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000592677550 459662912 /nfs/dbraw/zinc/66/29/12/459662912.db2.gz VVHOEOCDSCVYPL-UHFFFAOYSA-N 0 0 340.379 3.260 10 5 EGBERN CN(c1ccccc1)[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596517843 459663724 /nfs/dbraw/zinc/66/37/24/459663724.db2.gz PYZYUSSFDDTIIQ-OAHLLOKOSA-N 0 0 337.383 3.186 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000596518876 459665181 /nfs/dbraw/zinc/66/51/81/459665181.db2.gz YAADYFFVUKKNGT-GJZGRUSLSA-N 0 0 332.404 3.290 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC[C@H](C4CCC4)C3)c([N+](=O)[O-])cc21 ZINC000596524488 459666182 /nfs/dbraw/zinc/66/61/82/459666182.db2.gz BVEIHEUSPZABTN-LBPRGKRZSA-N 0 0 328.372 3.260 10 5 EGBERN Cc1cc(N2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596530002 459667821 /nfs/dbraw/zinc/66/78/21/459667821.db2.gz SQNQAADNWRVUOB-WDEREUQCSA-N 0 0 330.306 3.395 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000592696338 459668766 /nfs/dbraw/zinc/66/87/66/459668766.db2.gz WHHBZZHLQOWBOO-CABCVRRESA-N 0 0 348.447 3.165 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)n1 ZINC000596553793 459674248 /nfs/dbraw/zinc/67/42/48/459674248.db2.gz HMSAXVYJAMZWEA-GHMZBOCLSA-N 0 0 333.310 3.153 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@H](CC(F)(F)F)C1 ZINC000596558279 459676010 /nfs/dbraw/zinc/67/60/10/459676010.db2.gz PRDUKDILOMRWGW-LLVKDONJSA-N 0 0 341.289 3.301 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592722268 459676765 /nfs/dbraw/zinc/67/67/65/459676765.db2.gz PKKUTNZCYDLCSB-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN C[C@H](C(=O)NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000592723644 459677016 /nfs/dbraw/zinc/67/70/16/459677016.db2.gz ZJKUBSWCPWGLJG-UNXYVOJBSA-N 0 0 326.343 3.482 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCCC[C@H]2C2CCC2)cc([N+](=O)[O-])c1 ZINC000592734301 459678840 /nfs/dbraw/zinc/67/88/40/459678840.db2.gz FABGHWXERIOLJT-INIZCTEOSA-N 0 0 346.383 3.176 10 5 EGBERN C[C@]1(C(F)F)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596571431 459681181 /nfs/dbraw/zinc/68/11/81/459681181.db2.gz DQLIZGCIGSZNDN-GFCCVEGCSA-N 0 0 340.248 3.474 10 5 EGBERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc2c(c1)CCCO2 ZINC000596572267 459681480 /nfs/dbraw/zinc/68/14/80/459681480.db2.gz DJNZEALETJCUOU-LLVKDONJSA-N 0 0 343.383 3.167 10 5 EGBERN CO[C@H]1CC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000596591951 459687673 /nfs/dbraw/zinc/68/76/73/459687673.db2.gz QTLZVZZQUKKTBS-GWCFXTLKSA-N 0 0 342.355 3.332 10 5 EGBERN COc1cc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000592899798 459715981 /nfs/dbraw/zinc/71/59/81/459715981.db2.gz FDZUUKNBHWURGO-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN COc1cccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000592901203 459717078 /nfs/dbraw/zinc/71/70/78/459717078.db2.gz KABQDGYUUCSURN-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000596665799 459721003 /nfs/dbraw/zinc/72/10/03/459721003.db2.gz PWABXBLJCXNIIU-ZDUSSCGKSA-N 0 0 342.399 3.328 10 5 EGBERN Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000544114664 459730005 /nfs/dbraw/zinc/73/00/05/459730005.db2.gz QMCZYJRMEYBOKZ-OAHLLOKOSA-N 0 0 346.408 3.081 10 5 EGBERN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000544123706 459730862 /nfs/dbraw/zinc/73/08/62/459730862.db2.gz NHAZRNHVHFXOMP-JTQLQIEISA-N 0 0 342.417 3.144 10 5 EGBERN Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])nc3)n2C)cc1 ZINC000584493017 459753136 /nfs/dbraw/zinc/75/31/36/459753136.db2.gz CJPJKPQKLWSYMJ-UHFFFAOYSA-N 0 0 327.369 3.245 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H](C)C(C)C)c1 ZINC000593069477 459762788 /nfs/dbraw/zinc/76/27/88/459762788.db2.gz SSGRFYIJPBKBQY-CYBMUJFWSA-N 0 0 344.415 3.170 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000593087712 459768893 /nfs/dbraw/zinc/76/88/93/459768893.db2.gz VQRZKJOMHQASNO-UONOGXRCSA-N 0 0 343.408 3.384 10 5 EGBERN Cc1cc(NC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000596823322 459771220 /nfs/dbraw/zinc/77/12/20/459771220.db2.gz KTXPXHUUWSWBFW-HDICACEKSA-N 0 0 345.399 3.328 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000596823451 459771499 /nfs/dbraw/zinc/77/14/99/459771499.db2.gz POFHUKTVJZFPSC-OLZOCXBDSA-N 0 0 335.404 3.087 10 5 EGBERN COc1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000596828075 459773219 /nfs/dbraw/zinc/77/32/19/459773219.db2.gz IBLGPZXTZHUQHO-UHFFFAOYSA-N 0 0 346.343 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2ccon2)CC1 ZINC000596844707 459777162 /nfs/dbraw/zinc/77/71/62/459777162.db2.gz ZKKHDMVNHSDFSH-UHFFFAOYSA-N 0 0 330.344 3.303 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCc2nc(-c3ccccn3)ncc2C1 ZINC000584648833 459778911 /nfs/dbraw/zinc/77/89/11/459778911.db2.gz UYXYNIFXJVAKSQ-UHFFFAOYSA-N 0 0 333.351 3.010 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000596899192 459790470 /nfs/dbraw/zinc/79/04/70/459790470.db2.gz DZPRUJLTJDBMLD-KPZWWZAWSA-N 0 0 347.415 3.393 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC[C@H]2CCCO2)c1 ZINC000593193184 459801944 /nfs/dbraw/zinc/80/19/44/459801944.db2.gz RNFBPQHJEVMWAS-CYBMUJFWSA-N 0 0 325.386 3.184 10 5 EGBERN CC(C)n1cnc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000593230809 459815537 /nfs/dbraw/zinc/81/55/37/459815537.db2.gz FZAAISRJSQGXFU-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN COc1ccc(COc2cc(OC)c(OC)cc2F)cc1[N+](=O)[O-] ZINC000593241672 459817409 /nfs/dbraw/zinc/81/74/09/459817409.db2.gz QWOCAXHQTIKXNT-UHFFFAOYSA-N 0 0 337.303 3.339 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000593279165 459827515 /nfs/dbraw/zinc/82/75/15/459827515.db2.gz IGFJIBFEOYDHHB-KRWDZBQOSA-N 0 0 346.427 3.194 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545364071 459828135 /nfs/dbraw/zinc/82/81/35/459828135.db2.gz GVEOUBWVALLYTP-LSDHHAIUSA-N 0 0 340.445 3.229 10 5 EGBERN Nc1c(NC(=O)N2CC[C@@]3(CC3(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090398 459835476 /nfs/dbraw/zinc/83/54/76/459835476.db2.gz LKWSIFVMBLMJJK-GFCCVEGCSA-N 0 0 346.721 3.093 10 5 EGBERN C[C@@]1(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1(F)F ZINC000597091396 459835818 /nfs/dbraw/zinc/83/58/18/459835818.db2.gz DRHQYLABSLZAAR-GFCCVEGCSA-N 0 0 348.737 3.387 10 5 EGBERN C[C@H]1CCCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096373 459836771 /nfs/dbraw/zinc/83/67/71/459836771.db2.gz ILCMDCMHZQBJCU-VIFPVBQESA-N 0 0 326.784 3.484 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C)S1 ZINC000597101466 459837184 /nfs/dbraw/zinc/83/71/84/459837184.db2.gz IXWACZGOGPEZAK-YUMQZZPRSA-N 0 0 344.824 3.188 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000593315637 459839028 /nfs/dbraw/zinc/83/90/28/459839028.db2.gz JRZWTKXRDMUXMS-OAHLLOKOSA-N 0 0 327.384 3.120 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3OC(F)F)no2)nc1 ZINC000545583821 459839198 /nfs/dbraw/zinc/83/91/98/459839198.db2.gz NTWUBUMDMHZHET-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN CCOc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)nc1C ZINC000597127413 459844007 /nfs/dbraw/zinc/84/40/07/459844007.db2.gz NKZPGYKXRIMCCJ-UHFFFAOYSA-N 0 0 330.344 3.019 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598297659 459852292 /nfs/dbraw/zinc/85/22/92/459852292.db2.gz RJROVTVNFYZWSX-JKSUJKDBSA-N 0 0 346.427 3.380 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593355468 459860737 /nfs/dbraw/zinc/86/07/37/459860737.db2.gz YGAAKNGWZROVTM-HNNXBMFYSA-N 0 0 340.326 3.253 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3ccncn3)C2)c(F)c1 ZINC000586760852 459865432 /nfs/dbraw/zinc/86/54/32/459865432.db2.gz FVYYAOLRYCYLMJ-NSHDSACASA-N 0 0 334.326 3.043 10 5 EGBERN CCSC1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000598329757 459868115 /nfs/dbraw/zinc/86/81/15/459868115.db2.gz PRYPBWLAHVDKRX-UHFFFAOYSA-N 0 0 346.355 3.212 10 5 EGBERN CC[C@H](NC(=O)N(CC)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593369363 459869347 /nfs/dbraw/zinc/86/93/47/459869347.db2.gz BMIUTWWJAALQNN-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN CC1(C)[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000598341269 459872038 /nfs/dbraw/zinc/87/20/38/459872038.db2.gz RIXAKWRGRZRHTC-NSHDSACASA-N 0 0 332.734 3.198 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)o2)c(Cl)c1 ZINC000597212013 459879463 /nfs/dbraw/zinc/87/94/63/459879463.db2.gz QJVLIBACXYNBNP-APPDUMDISA-N 0 0 348.786 3.465 10 5 EGBERN CC[C@@H](NC(=O)N(C)CC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000602270022 459880296 /nfs/dbraw/zinc/88/02/96/459880296.db2.gz QVAZJYQYPMFLMN-OAHLLOKOSA-N 0 0 337.420 3.238 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000586834554 459883276 /nfs/dbraw/zinc/88/32/76/459883276.db2.gz XQVIPOKVYHLYKU-UHFFFAOYSA-N 0 0 328.368 3.367 10 5 EGBERN CSc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000608908511 459893779 /nfs/dbraw/zinc/89/37/79/459893779.db2.gz ZWLRXMVKHJMUSO-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000593463654 459896823 /nfs/dbraw/zinc/89/68/23/459896823.db2.gz BHVYZOCXFDOIIR-FZKQIMNGSA-N 0 0 337.383 3.427 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(OC2CCCCC2)nc1 ZINC000608973277 459897058 /nfs/dbraw/zinc/89/70/58/459897058.db2.gz DYEDNELCOWIMKY-UHFFFAOYSA-N 0 0 328.372 3.130 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587985956 459898172 /nfs/dbraw/zinc/89/81/72/459898172.db2.gz VBFBKEQBTANLMQ-OAHLLOKOSA-N 0 0 329.400 3.127 10 5 EGBERN Cn1c2cc([N+](=O)[O-])c(N3CCC(C(C)(C)C)CC3)cc2n(C)c1=O ZINC000587979911 459898295 /nfs/dbraw/zinc/89/82/95/459898295.db2.gz CPRUITZOPRHNPL-UHFFFAOYSA-N 0 0 346.431 3.048 10 5 EGBERN CC[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1C ZINC000587992991 459899553 /nfs/dbraw/zinc/89/95/53/459899553.db2.gz IMSNTDZTPCKAGP-OAHLLOKOSA-N 0 0 345.399 3.247 10 5 EGBERN COc1ccc(CC(=O)N[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000609011782 459900014 /nfs/dbraw/zinc/90/00/14/459900014.db2.gz DMEIKLSNAHNVFB-HNNXBMFYSA-N 0 0 344.342 3.089 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598452984 459902325 /nfs/dbraw/zinc/90/23/25/459902325.db2.gz CILLJBKKAGXPSZ-SNVBAGLBSA-N 0 0 346.305 3.159 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(C2(O)CC2)CC1 ZINC000593483393 459902809 /nfs/dbraw/zinc/90/28/09/459902809.db2.gz YCOVEZKFLBLUIG-UHFFFAOYSA-N 0 0 330.306 3.355 10 5 EGBERN CCC(CC)[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000588013276 459903123 /nfs/dbraw/zinc/90/31/23/459903123.db2.gz LIJVTDWPMOVRLV-CZUORRHYSA-N 0 0 337.420 3.065 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000593485866 459903587 /nfs/dbraw/zinc/90/35/87/459903587.db2.gz YHJWFHBHNCXJEX-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN Cc1cc(OCC(=O)NCC(F)(F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000598465317 459903729 /nfs/dbraw/zinc/90/37/29/459903729.db2.gz PYDWQMBPMKTQTI-UHFFFAOYSA-N 0 0 330.331 3.080 10 5 EGBERN CCOc1ccc([C@@H]2C[C@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588039315 459904837 /nfs/dbraw/zinc/90/48/37/459904837.db2.gz RAWNWRILLDHGQG-DOTOQJQBSA-N 0 0 343.383 3.036 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)N(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000588035665 459905489 /nfs/dbraw/zinc/90/54/89/459905489.db2.gz BTJJOERTQHFTQU-UKRRQHHQSA-N 0 0 341.411 3.360 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609128351 459907091 /nfs/dbraw/zinc/90/70/91/459907091.db2.gz YCJGIIRUDZWJOY-YPMHNXCESA-N 0 0 334.372 3.268 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000588068311 459908442 /nfs/dbraw/zinc/90/84/42/459908442.db2.gz FZVMHGKQECEYJR-TVQRCGJNSA-N 0 0 341.289 3.299 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000588068312 459908467 /nfs/dbraw/zinc/90/84/67/459908467.db2.gz FZVMHGKQECEYJR-ZANVPECISA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCCC3(CO)CCC3)n2)cc1 ZINC000593510692 459911279 /nfs/dbraw/zinc/91/12/79/459911279.db2.gz ASVSINYPTPKBPW-UHFFFAOYSA-N 0 0 333.413 3.105 10 5 EGBERN CCc1nn(C)c(N2CCc3ccc(F)cc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000593516487 459912948 /nfs/dbraw/zinc/91/29/48/459912948.db2.gz DEZYEJMWEYDZHG-LLVKDONJSA-N 0 0 332.379 3.196 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593516797 459913062 /nfs/dbraw/zinc/91/30/62/459913062.db2.gz HCMHOKUKIFVCQK-LLVKDONJSA-N 0 0 332.379 3.425 10 5 EGBERN Cc1cc(N[C@H]2CCCc3c2ccc(=O)n3C)c(F)cc1[N+](=O)[O-] ZINC000593520855 459914161 /nfs/dbraw/zinc/91/41/61/459914161.db2.gz DJHDIUGJWWPFTB-ZDUSSCGKSA-N 0 0 331.347 3.231 10 5 EGBERN Cc1cc(N[C@@H]2CCCc3c2ccc(=O)n3C)c(F)cc1[N+](=O)[O-] ZINC000593520854 459914200 /nfs/dbraw/zinc/91/42/00/459914200.db2.gz DJHDIUGJWWPFTB-CYBMUJFWSA-N 0 0 331.347 3.231 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)n(C)n1 ZINC000618172968 459920311 /nfs/dbraw/zinc/92/03/11/459920311.db2.gz MCRPBHXSSWKCKY-GFCCVEGCSA-N 0 0 349.822 3.371 10 5 EGBERN CCCC[C@H](C)N(CCCC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593602200 459931286 /nfs/dbraw/zinc/93/12/86/459931286.db2.gz LZTZKOFGZMYRPE-ZDUSSCGKSA-N 0 0 343.449 3.359 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000598540952 459933382 /nfs/dbraw/zinc/93/33/82/459933382.db2.gz UPDCWENGESKFMI-YOEHRIQHSA-N 0 0 342.395 3.372 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)C1O ZINC000618264735 459945717 /nfs/dbraw/zinc/94/57/17/459945717.db2.gz ARHHKMRNDRMANM-ZIAGYGMSSA-N 0 0 334.419 3.477 10 5 EGBERN C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)C1O ZINC000618264734 459945762 /nfs/dbraw/zinc/94/57/62/459945762.db2.gz ARHHKMRNDRMANM-KBPBESRZSA-N 0 0 334.419 3.477 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000598575533 459946277 /nfs/dbraw/zinc/94/62/77/459946277.db2.gz WIHIKRZANDWAGA-INIZCTEOSA-N 0 0 342.342 3.016 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c(C)c1[N+](=O)[O-] ZINC000598611087 459962216 /nfs/dbraw/zinc/96/22/16/459962216.db2.gz RGDOCHQLTJFHGC-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@H](C4CCCCC4)C3)nc2c1 ZINC000618305591 459963117 /nfs/dbraw/zinc/96/31/17/459963117.db2.gz COVBOYOOZQXDHN-KRWDZBQOSA-N 0 0 344.415 3.252 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000588757596 459979038 /nfs/dbraw/zinc/97/90/38/459979038.db2.gz ZRJBWELUCNYUQN-CQSZACIVSA-N 0 0 339.342 3.457 10 5 EGBERN Cc1cccc(COCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000598662632 459984070 /nfs/dbraw/zinc/98/40/70/459984070.db2.gz SJGPCPMEHJSOMW-UHFFFAOYSA-N 0 0 328.368 3.078 10 5 EGBERN Cc1ccc(COCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000598665267 459984358 /nfs/dbraw/zinc/98/43/58/459984358.db2.gz OHTLMORHYICNCZ-AWEZNQCLSA-N 0 0 328.368 3.297 10 5 EGBERN CCOc1cc(NC(=O)c2ccn(C)c2C)c([N+](=O)[O-])cc1OCC ZINC000588834140 459988036 /nfs/dbraw/zinc/98/80/36/459988036.db2.gz FOGHKTLNMAXLDW-UHFFFAOYSA-N 0 0 347.371 3.291 10 5 EGBERN Cc1ccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000593801940 459989100 /nfs/dbraw/zinc/98/91/00/459989100.db2.gz GKAXYBSFUXXSLP-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1F ZINC000593801374 459989407 /nfs/dbraw/zinc/98/94/07/459989407.db2.gz FXEDGOMUNYRARY-LBPRGKRZSA-N 0 0 334.351 3.462 10 5 EGBERN COCC1(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000598690023 459994553 /nfs/dbraw/zinc/99/45/53/459994553.db2.gz NGYWHHDJWCAHHV-UHFFFAOYSA-N 0 0 343.383 3.100 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](c2ccccc2)C1 ZINC000588901726 459999124 /nfs/dbraw/zinc/99/91/24/459999124.db2.gz CZPQKHYMVWCVOX-ZDUSSCGKSA-N 0 0 346.333 3.432 10 5 EGBERN CSc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593845739 460002028 /nfs/dbraw/zinc/00/20/28/460002028.db2.gz ZLZVKRSGVSIIBH-QWHCGFSZSA-N 0 0 329.381 3.454 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC(F)(F)C1 ZINC000588937985 460008739 /nfs/dbraw/zinc/00/87/39/460008739.db2.gz SZIXNEPUZHIIPZ-SNVBAGLBSA-N 0 0 337.326 3.170 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593915337 460015222 /nfs/dbraw/zinc/01/52/22/460015222.db2.gz JAWULPHFDBARBB-HNNXBMFYSA-N 0 0 325.368 3.142 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])s1 ZINC000593916847 460017298 /nfs/dbraw/zinc/01/72/98/460017298.db2.gz SLMWQQWSXRSSQO-LBPRGKRZSA-N 0 0 331.397 3.203 10 5 EGBERN CC(C)(C)n1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000593972447 460034627 /nfs/dbraw/zinc/03/46/27/460034627.db2.gz DEIXYEJWDIPRHT-UHFFFAOYSA-N 0 0 328.372 3.139 10 5 EGBERN CO[C@@H](C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000598827218 460054324 /nfs/dbraw/zinc/05/43/24/460054324.db2.gz GXTJJEWNVGCZCZ-QGZVFWFLSA-N 0 0 343.383 3.017 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610087121 460061015 /nfs/dbraw/zinc/06/10/15/460061015.db2.gz PSDDNQJLKPJMES-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1ccc(C)n1 ZINC000598844160 460062710 /nfs/dbraw/zinc/06/27/10/460062710.db2.gz XMYMOOVBXNMGED-LBPRGKRZSA-N 0 0 332.360 3.088 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000610166922 460074059 /nfs/dbraw/zinc/07/40/59/460074059.db2.gz ZYLZYRLTGUEMLP-NSHDSACASA-N 0 0 335.278 3.188 10 5 EGBERN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCCO[C@@H]21 ZINC000610205541 460082223 /nfs/dbraw/zinc/08/22/23/460082223.db2.gz JEUHQRCGRGPYGG-XZJROXQQSA-N 0 0 343.383 3.010 10 5 EGBERN CC[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1F ZINC000594067035 460083657 /nfs/dbraw/zinc/08/36/57/460083657.db2.gz XWNIFVXAQIISJE-OAHLLOKOSA-N 0 0 348.378 3.205 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCc2cccnc21 ZINC000594069705 460086167 /nfs/dbraw/zinc/08/61/67/460086167.db2.gz GWZJKOVKCJXGPV-UHFFFAOYSA-N 0 0 329.381 3.061 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000610235814 460090567 /nfs/dbraw/zinc/09/05/67/460090567.db2.gz ACMBEYWJZZNIPE-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN CC(C)CCOc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000594081611 460093038 /nfs/dbraw/zinc/09/30/38/460093038.db2.gz SGDHKOIGUAOKJC-UHFFFAOYSA-N 0 0 332.360 3.006 10 5 EGBERN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000589505115 460096864 /nfs/dbraw/zinc/09/68/64/460096864.db2.gz RDYVEWMTWQIVCE-ZDUSSCGKSA-N 0 0 349.412 3.387 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594094901 460099025 /nfs/dbraw/zinc/09/90/25/460099025.db2.gz QKVKVGMSYYPXCT-OCCSQVGLSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1C1CCOCC1 ZINC000598954465 460101335 /nfs/dbraw/zinc/10/13/35/460101335.db2.gz ULXIBRFVAGIVTR-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598967049 460108612 /nfs/dbraw/zinc/10/86/12/460108612.db2.gz MKFBOMNFMUFACX-NQHOJNORSA-N 0 0 347.415 3.491 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597919733 460110841 /nfs/dbraw/zinc/11/08/41/460110841.db2.gz PDDCYOVJQKTIJJ-CYBMUJFWSA-N 0 0 332.356 3.276 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597918338 460111058 /nfs/dbraw/zinc/11/10/58/460111058.db2.gz FYRMDWIUQLHJKD-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000597917879 460111494 /nfs/dbraw/zinc/11/14/94/460111494.db2.gz CBKBGKMSWPKRIJ-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000597921991 460112522 /nfs/dbraw/zinc/11/25/22/460112522.db2.gz YAWHDOLGMVYJOO-CYBMUJFWSA-N 0 0 330.359 3.332 10 5 EGBERN O=[N+]([O-])c1ccc(CNC[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000598988832 460118576 /nfs/dbraw/zinc/11/85/76/460118576.db2.gz BYXQTVCHESAZTL-LBPRGKRZSA-N 0 0 348.712 3.338 10 5 EGBERN COCCCOC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599048644 460139677 /nfs/dbraw/zinc/13/96/77/460139677.db2.gz OGCXOSZBXJTVTL-UHFFFAOYSA-N 0 0 345.399 3.165 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594184592 460140656 /nfs/dbraw/zinc/14/06/56/460140656.db2.gz ZVZWHDFOASHJND-HIFRSBDPSA-N 0 0 336.388 3.071 10 5 EGBERN CCOC(=O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000594195611 460144363 /nfs/dbraw/zinc/14/43/63/460144363.db2.gz SWEDTSJZUGJYDF-MRXNPFEDSA-N 0 0 348.399 3.227 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC2(CCCC2)O1 ZINC000594204445 460149813 /nfs/dbraw/zinc/14/98/13/460149813.db2.gz QMVLKLXOBPDHQS-AWEZNQCLSA-N 0 0 347.415 3.005 10 5 EGBERN O=[N+]([O-])c1c(NCCCO[C@H]2CCCCO2)ccc2cnccc21 ZINC000599071188 460150293 /nfs/dbraw/zinc/15/02/93/460150293.db2.gz QAQQVQKGAGDGRN-INIZCTEOSA-N 0 0 331.372 3.488 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC(Cc2ccccc2)C1 ZINC000589845275 460150628 /nfs/dbraw/zinc/15/06/28/460150628.db2.gz HYQOZHOHIMVXFY-UHFFFAOYSA-N 0 0 346.333 3.117 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1OCCc2ccccc21 ZINC000589863287 460152625 /nfs/dbraw/zinc/15/26/25/460152625.db2.gz JISRTDLCMOSFHZ-SFHVURJKSA-N 0 0 335.363 3.291 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCOC[C@@H](C2CCC2)C1 ZINC000599081539 460155557 /nfs/dbraw/zinc/15/55/57/460155557.db2.gz OKMMZASNEDTGBN-HNNXBMFYSA-N 0 0 327.384 3.396 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599110886 460163985 /nfs/dbraw/zinc/16/39/85/460163985.db2.gz FSDVXQABOYMVQY-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN O=[N+]([O-])c1c(NCC2(O)CCC(F)(F)CC2)ccc2cnccc21 ZINC000599110288 460164134 /nfs/dbraw/zinc/16/41/34/460164134.db2.gz PAKGNJVTWFKXSL-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000599120115 460165869 /nfs/dbraw/zinc/16/58/69/460165869.db2.gz XSGZMLWOUBJHKF-NXEZZACHSA-N 0 0 328.315 3.109 10 5 EGBERN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526068 460174834 /nfs/dbraw/zinc/17/48/34/460174834.db2.gz CGPJYJCNDQLZQS-AWEZNQCLSA-N 0 0 342.399 3.102 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594283102 460179937 /nfs/dbraw/zinc/17/99/37/460179937.db2.gz NYPQEFCWICCFDA-ZBFHGGJFSA-N 0 0 335.404 3.084 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599167965 460184418 /nfs/dbraw/zinc/18/44/18/460184418.db2.gz XEVQCNAVIZSZHC-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN CC(C)(CNc1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169500 460185533 /nfs/dbraw/zinc/18/55/33/460185533.db2.gz CLADNQGXMCQZME-UHFFFAOYSA-N 0 0 325.796 3.309 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000599180595 460189982 /nfs/dbraw/zinc/18/99/82/460189982.db2.gz MILKBKWRDBNZDK-NOZJJQNGSA-N 0 0 327.178 3.337 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC12CC2 ZINC000599242764 460203535 /nfs/dbraw/zinc/20/35/35/460203535.db2.gz HPQLKMMMIRUQRK-HNNXBMFYSA-N 0 0 331.416 3.359 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594401160 460207019 /nfs/dbraw/zinc/20/70/19/460207019.db2.gz LTEGUNDKWDDMQO-NSHDSACASA-N 0 0 333.388 3.257 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000598214806 460207168 /nfs/dbraw/zinc/20/71/68/460207168.db2.gz VMIRORUVSZJORO-ZJUUUORDSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](CCF)C1 ZINC000598220808 460210148 /nfs/dbraw/zinc/21/01/48/460210148.db2.gz OGVOBJXCPNCQDZ-CYBMUJFWSA-N 0 0 333.363 3.148 10 5 EGBERN CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354003 460236292 /nfs/dbraw/zinc/23/62/92/460236292.db2.gz RRYWIFVIPANGLX-INIZCTEOSA-N 0 0 349.431 3.104 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480958 460260024 /nfs/dbraw/zinc/26/00/24/460260024.db2.gz UGVSOTQLXPRIIS-AWEZNQCLSA-N 0 0 349.412 3.036 10 5 EGBERN COc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1F ZINC000599553725 460273613 /nfs/dbraw/zinc/27/36/13/460273613.db2.gz ZINFYECFQFMTKO-NEPJUHHUSA-N 0 0 326.393 3.212 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC(F)(F)CC2)c1 ZINC000599553286 460273977 /nfs/dbraw/zinc/27/39/77/460273977.db2.gz YJIUUFBPOXTVKJ-UHFFFAOYSA-N 0 0 328.315 3.003 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOc3ncccc3C2)cc1[N+](=O)[O-] ZINC000615274769 460302654 /nfs/dbraw/zinc/30/26/54/460302654.db2.gz BTWGWHWTEPRYNB-UHFFFAOYSA-N 0 0 341.367 3.148 10 5 EGBERN COC(=O)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671624 460304112 /nfs/dbraw/zinc/30/41/12/460304112.db2.gz ZSAMNZAEPKYWHQ-ACJLOTCBSA-N 0 0 340.379 3.428 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000603512566 460313840 /nfs/dbraw/zinc/31/38/40/460313840.db2.gz LXDXWIOHWXSPPM-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN CC[C@H](C)c1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000599825851 460342382 /nfs/dbraw/zinc/34/23/82/460342382.db2.gz RMOKBEOBHTTXPQ-LBPRGKRZSA-N 0 0 331.376 3.127 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCCSC1 ZINC000599832095 460344080 /nfs/dbraw/zinc/34/40/80/460344080.db2.gz STJSYVQWVBQSCE-SNVBAGLBSA-N 0 0 332.385 3.160 10 5 EGBERN C[C@@H]1CSCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834851 460344616 /nfs/dbraw/zinc/34/46/16/460344616.db2.gz JKMBEHASKXUCAS-NSHDSACASA-N 0 0 346.412 3.360 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833808 460344748 /nfs/dbraw/zinc/34/47/48/460344748.db2.gz YNFMBORSJZWENU-NWDGAFQWSA-N 0 0 344.371 3.080 10 5 EGBERN COCCC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599836786 460345382 /nfs/dbraw/zinc/34/53/82/460345382.db2.gz YGNYAPIRGGABDR-UHFFFAOYSA-N 0 0 344.371 3.033 10 5 EGBERN COCC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCC1 ZINC000599835391 460345649 /nfs/dbraw/zinc/34/56/49/460345649.db2.gz VOWBDTYLCOHAMZ-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1SC ZINC000611506986 460381883 /nfs/dbraw/zinc/38/18/83/460381883.db2.gz VKQVYOOUUGCFNX-KOLCDFICSA-N 0 0 342.392 3.145 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ccncc1 ZINC000619639014 460400609 /nfs/dbraw/zinc/40/06/09/460400609.db2.gz YPQDNEPTWRSYIY-LBPRGKRZSA-N 0 0 344.371 3.314 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619733965 460424623 /nfs/dbraw/zinc/42/46/23/460424623.db2.gz LDYDLQZKQCCXHZ-ZDUSSCGKSA-N 0 0 347.415 3.032 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000604433304 460427153 /nfs/dbraw/zinc/42/71/53/460427153.db2.gz WLTNPPHKIYCODN-UHFFFAOYSA-N 0 0 334.397 3.279 10 5 EGBERN Cc1ccsc1[C@@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709129 460435410 /nfs/dbraw/zinc/43/54/10/460435410.db2.gz QIMHOSKMAZFLAL-CYBMUJFWSA-N 0 0 330.369 3.053 10 5 EGBERN CN(CCc1ccc(F)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708022 460435456 /nfs/dbraw/zinc/43/54/56/460435456.db2.gz HAWUBTHPLURHNY-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN COc1cccc2c1CN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000600207870 460440078 /nfs/dbraw/zinc/44/00/78/460440078.db2.gz OXGKSLJNDOPQHW-UHFFFAOYSA-N 0 0 344.367 3.136 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1csc([N+](=O)[O-])c1 ZINC000600207733 460440431 /nfs/dbraw/zinc/44/04/31/460440431.db2.gz NYOPCWOKJDIJNN-KWCYVHTRSA-N 0 0 334.784 3.378 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000619810224 460448178 /nfs/dbraw/zinc/44/81/78/460448178.db2.gz DXMHUFHXTRDAEU-BXUZGUMPSA-N 0 0 333.367 3.058 10 5 EGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OCC ZINC000604562080 460449515 /nfs/dbraw/zinc/44/95/15/460449515.db2.gz OIWKFDWFEYYRJS-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN CCC(NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)(C1CC1)C1CC1 ZINC000600244485 460455937 /nfs/dbraw/zinc/45/59/37/460455937.db2.gz BONDDYLAROVUSX-UHFFFAOYSA-N 0 0 348.399 3.067 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000600367781 460484791 /nfs/dbraw/zinc/48/47/91/460484791.db2.gz WWARSIFDBPTLPR-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC(Cc2ccco2)C1 ZINC000600368596 460485434 /nfs/dbraw/zinc/48/54/34/460485434.db2.gz WIPJNGATTKWOIM-UHFFFAOYSA-N 0 0 343.383 3.081 10 5 EGBERN CCC(F)(F)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600380384 460486684 /nfs/dbraw/zinc/48/66/84/460486684.db2.gz UMGBFGIVIGYYPI-UHFFFAOYSA-N 0 0 335.310 3.432 10 5 EGBERN CCC(F)(F)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600380451 460486758 /nfs/dbraw/zinc/48/67/58/460486758.db2.gz XLAYRYVXPSKDAF-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000600378307 460486882 /nfs/dbraw/zinc/48/68/82/460486882.db2.gz MQZRQPDGZFWQLE-CTYIDZIISA-N 0 0 335.404 3.094 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600441943 460495235 /nfs/dbraw/zinc/49/52/35/460495235.db2.gz CPBHCSMLBNXWCR-LOKDSWTASA-N 0 0 346.305 3.155 10 5 EGBERN Cc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000600473071 460501227 /nfs/dbraw/zinc/50/12/27/460501227.db2.gz CGCIPUPLQFOJOF-QGZVFWFLSA-N 0 0 330.388 3.003 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000600510260 460506986 /nfs/dbraw/zinc/50/69/86/460506986.db2.gz UCVMVPSQQBCHOX-ZDUSSCGKSA-N 0 0 348.790 3.341 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)n1 ZINC000600508083 460507264 /nfs/dbraw/zinc/50/72/64/460507264.db2.gz GTQYQVCDROUDSE-ZDUSSCGKSA-N 0 0 348.790 3.272 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000600520688 460511586 /nfs/dbraw/zinc/51/15/86/460511586.db2.gz QVXDQYCYOHFEAH-CJNGLKHVSA-N 0 0 332.400 3.190 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC(F)(F)C1 ZINC000601160273 460736100 /nfs/dbraw/zinc/73/61/00/460736100.db2.gz VRTIQIMWZWWHOD-ZCFIWIBFSA-N 0 0 328.241 3.194 10 5 EGBERN COc1c(C)cccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601187065 460743303 /nfs/dbraw/zinc/74/33/03/460743303.db2.gz MVBIXUNMCXDWJC-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CCCCO1 ZINC000601190177 460746177 /nfs/dbraw/zinc/74/61/77/460746177.db2.gz RUWHRMGQQOZKHZ-DTWKUNHWSA-N 0 0 336.314 3.107 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)n1ccnc1 ZINC000601198238 460748834 /nfs/dbraw/zinc/74/88/34/460748834.db2.gz SEPHCFWZWVGYHX-UHFFFAOYSA-N 0 0 326.303 3.240 10 5 EGBERN CCn1nc(C)c(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])c1C ZINC000601208421 460750681 /nfs/dbraw/zinc/75/06/81/460750681.db2.gz CAHCBAGZVMPCGF-UHFFFAOYSA-N 0 0 336.367 3.212 10 5 EGBERN CCn1nc(C)c(CN(C)c2ncnc3sc([N+](=O)[O-])cc32)c1C ZINC000601210358 460751699 /nfs/dbraw/zinc/75/16/99/460751699.db2.gz QAKQAHBRSKTFDM-UHFFFAOYSA-N 0 0 346.416 3.069 10 5 EGBERN Cc1cnc(N2CCC(Oc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000601217014 460754616 /nfs/dbraw/zinc/75/46/16/460754616.db2.gz USWBVHCEWJJVIP-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN Cc1c(Br)c(N2OC3CCC2CC3)ncc1[N+](=O)[O-] ZINC000601273065 460772455 /nfs/dbraw/zinc/77/24/55/460772455.db2.gz OIHSVEKTQHNPNO-UHFFFAOYSA-N 0 0 328.166 3.124 10 5 EGBERN CCN(Cc1cccs1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601291289 460778792 /nfs/dbraw/zinc/77/87/92/460778792.db2.gz JEXTXIOVAVHTKE-UHFFFAOYSA-N 0 0 346.455 3.237 10 5 EGBERN CN(CCC1CCOCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601308816 460784037 /nfs/dbraw/zinc/78/40/37/460784037.db2.gz DYACELWFBAULKJ-UHFFFAOYSA-N 0 0 346.427 3.292 10 5 EGBERN O=C(N[C@@H]1CCOC2(CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601339657 460791104 /nfs/dbraw/zinc/79/11/04/460791104.db2.gz FNLPNSDBEIXTHH-OAHLLOKOSA-N 0 0 344.411 3.234 10 5 EGBERN CC1(C)C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601370009 460797232 /nfs/dbraw/zinc/79/72/32/460797232.db2.gz TWZMILAIYKRYFJ-CQSZACIVSA-N 0 0 332.400 3.090 10 5 EGBERN Cc1cc(-c2noc(-c3cn4c(n3)C[C@@H](C)CC4)n2)cc([N+](=O)[O-])c1 ZINC000601379810 460799795 /nfs/dbraw/zinc/79/97/95/460799795.db2.gz DOSCNSHNEWKMKY-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cncc(F)c1 ZINC000601411849 460806913 /nfs/dbraw/zinc/80/69/13/460806913.db2.gz BQPPLMONDCVDAZ-LBPRGKRZSA-N 0 0 343.358 3.428 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2nccn21 ZINC000601616651 460848180 /nfs/dbraw/zinc/84/81/80/460848180.db2.gz FNTFTLYWWOMOJT-DOMZBBRYSA-N 0 0 340.383 3.035 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601652205 460856745 /nfs/dbraw/zinc/85/67/45/460856745.db2.gz AHAMVGIQVYLDJV-MRXNPFEDSA-N 0 0 325.368 3.318 10 5 EGBERN CCc1ccc(C(=O)N(C)Cc2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000601701176 460875295 /nfs/dbraw/zinc/87/52/95/460875295.db2.gz LOARBTMEXJSHEE-UHFFFAOYSA-N 0 0 344.415 3.263 10 5 EGBERN CCCSc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000601707233 460878776 /nfs/dbraw/zinc/87/87/76/460878776.db2.gz ZVZSCMHNLWALME-UHFFFAOYSA-N 0 0 332.385 3.448 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(Cc2nccs2)CC1 ZINC000601742447 460887201 /nfs/dbraw/zinc/88/72/01/460887201.db2.gz DALRDFZEIPGMGX-UHFFFAOYSA-N 0 0 345.424 3.075 10 5 EGBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000601770348 460894080 /nfs/dbraw/zinc/89/40/80/460894080.db2.gz DMQXMIQHSHVGLZ-XPTSAGLGSA-N 0 0 339.189 3.420 10 5 EGBERN C[C@](CO)(NC(=O)c1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601781452 460896492 /nfs/dbraw/zinc/89/64/92/460896492.db2.gz WLJILMHPWNXMGL-LJQANCHMSA-N 0 0 340.379 3.110 10 5 EGBERN C[C@H](C(=O)NCC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617748828 460965411 /nfs/dbraw/zinc/96/54/11/460965411.db2.gz ISUMIZWGWPCPHE-XJKSGUPXSA-N 0 0 334.416 3.410 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000176952931 526507440 /nfs/dbraw/zinc/50/74/40/526507440.db2.gz PZWIRQDNFVCECK-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN CC(C)OC1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000130065882 527885120 /nfs/dbraw/zinc/88/51/20/527885120.db2.gz PMLRUZSNJZQLGR-UHFFFAOYSA-N 0 0 349.387 3.074 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000189705324 528062413 /nfs/dbraw/zinc/06/24/13/528062413.db2.gz VWLYTMHQUOBNQA-MRXNPFEDSA-N 0 0 342.399 3.429 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000173448648 528319734 /nfs/dbraw/zinc/31/97/34/528319734.db2.gz YIKCQAGTKZSULB-CYBMUJFWSA-N 0 0 330.344 3.079 10 5 EGBERN CCOC(=O)c1csc(CCNc2c(C)cccc2[N+](=O)[O-])n1 ZINC000190210176 528338253 /nfs/dbraw/zinc/33/82/53/528338253.db2.gz ZOMDCNHDRCBZGP-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000175175448 528612233 /nfs/dbraw/zinc/61/22/33/528612233.db2.gz UHJUZIRQLCWUJY-INIZCTEOSA-N 0 0 330.388 3.064 10 5 EGBERN CCCCc1noc([C@@H](C)SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000162316827 529063530 /nfs/dbraw/zinc/06/35/30/529063530.db2.gz LNKOZDBIAGVINM-SNVBAGLBSA-N 0 0 325.394 3.011 10 5 EGBERN CC(C)O[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000344573979 534931463 /nfs/dbraw/zinc/93/14/63/534931463.db2.gz JPRCFHZGXRMCQR-HOTGVXAUSA-N 0 0 345.399 3.398 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000366550100 535700926 /nfs/dbraw/zinc/70/09/26/535700926.db2.gz BWDFMEDCVQYYFD-KRWDZBQOSA-N 0 0 336.388 3.025 10 5 EGBERN COc1ccc2occ(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000337846196 537058673 /nfs/dbraw/zinc/05/86/73/537058673.db2.gz PBVYLUNRWBNARG-UHFFFAOYSA-N 0 0 340.335 3.322 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(F)cc1F ZINC000728201645 574729176 /nfs/dbraw/zinc/72/91/76/574729176.db2.gz LGVRSPUIQJJPHR-SNVBAGLBSA-N 0 0 347.321 3.263 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000728989229 574791871 /nfs/dbraw/zinc/79/18/71/574791871.db2.gz VTFSNMCRYUUPCC-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C\C(C)(C)C)cccc1[N+](=O)[O-] ZINC000732405491 575267589 /nfs/dbraw/zinc/26/75/89/575267589.db2.gz UCGIXZRMKBQDSL-PRDAAYKISA-N 0 0 334.372 3.376 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000734118085 575438510 /nfs/dbraw/zinc/43/85/10/575438510.db2.gz RSDOVQDPLFTOHX-JTQLQIEISA-N 0 0 342.380 3.399 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2C[C@@H]2c2c(F)cccc2F)nc2ccccn21 ZINC000734831870 575562333 /nfs/dbraw/zinc/56/23/33/575562333.db2.gz DRPZXDZNBWVYKL-JOYOIKCWSA-N 0 0 330.294 3.489 10 5 EGBERN COCc1ccc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000734885782 575570920 /nfs/dbraw/zinc/57/09/20/575570920.db2.gz HPLZJVSDAPXGRJ-UHFFFAOYSA-N 0 0 325.704 3.345 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1cnc(-c2ccccc2)n1 ZINC000735481860 575672338 /nfs/dbraw/zinc/67/23/38/575672338.db2.gz VXDMAIPUJWQCEH-CYBMUJFWSA-N 0 0 335.367 3.262 10 5 EGBERN C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000740985322 576643360 /nfs/dbraw/zinc/64/33/60/576643360.db2.gz REJWAHCCLIWFAF-GFCCVEGCSA-N 0 0 346.408 3.146 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000741988926 576739852 /nfs/dbraw/zinc/73/98/52/576739852.db2.gz FTQISCWRQBFFDO-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1ccc(N2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000742429402 576783540 /nfs/dbraw/zinc/78/35/40/576783540.db2.gz ADFBOGGSUPIIKH-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN CCO[C@H](COc1cc(Br)cc([N+](=O)[O-])c1N)C1CC1 ZINC000863473658 1329556580 /nfs/dbraw/zinc/55/65/80/1329556580.db2.gz VAZAFAGRVDNHRP-GFCCVEGCSA-N 0 0 345.193 3.133 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)c(F)c2)cc1 ZINC000007912171 1291094470 /nfs/dbraw/zinc/09/44/70/1291094470.db2.gz ZIAXRBIEHCROHN-BQYQJAHWSA-N 0 0 325.292 3.318 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178354903 1294730042 /nfs/dbraw/zinc/73/00/42/1294730042.db2.gz ZQHVYAKGTNYVNT-GJZGRUSLSA-N 0 0 343.427 3.457 10 5 EGBERN Cc1cnc(F)c(C(=O)O[C@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])c1 ZINC000870454456 1295880387 /nfs/dbraw/zinc/88/03/87/1295880387.db2.gz LFNJXAVSMUBIDS-HZMBPMFUSA-N 0 0 336.294 3.232 10 5 EGBERN CCc1ccc(C(=O)O[C@H]2CCCc3nccnc32)cc1[N+](=O)[O-] ZINC000870539497 1295930665 /nfs/dbraw/zinc/93/06/65/1295930665.db2.gz CWVMYHIARICWEX-HNNXBMFYSA-N 0 0 327.340 3.182 10 5 EGBERN Cc1ccc(C(=O)OCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000870607736 1295972641 /nfs/dbraw/zinc/97/26/41/1295972641.db2.gz KYDWGXBLJYASNG-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN Cc1nn(C)c(C)c1CCC(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC000870699174 1296027956 /nfs/dbraw/zinc/02/79/56/1296027956.db2.gz ASQFGIGJEBSYQP-UHFFFAOYSA-N 0 0 345.399 3.238 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870729922 1296047294 /nfs/dbraw/zinc/04/72/94/1296047294.db2.gz DPMDBOLUXXPYNV-SWLSCSKDSA-N 0 0 328.368 3.388 10 5 EGBERN CC[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870826663 1296104298 /nfs/dbraw/zinc/10/42/98/1296104298.db2.gz JHSINCFFNGOESG-BCLQGDPASA-N 0 0 329.356 3.232 10 5 EGBERN C/C(=C\C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829195 1296106535 /nfs/dbraw/zinc/10/65/35/1296106535.db2.gz HTYGLODWPSMQOL-KPKJPENVSA-N 0 0 327.340 3.142 10 5 EGBERN CCC[C@@H](Oc1c(Br)cccc1[N+](=O)[O-])C(=O)OCC ZINC000216254952 1296119072 /nfs/dbraw/zinc/11/90/72/1296119072.db2.gz CKLUFISXDGHEHD-LLVKDONJSA-N 0 0 346.177 3.468 10 5 EGBERN CC(C)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCCO1 ZINC000871165517 1296253327 /nfs/dbraw/zinc/25/33/27/1296253327.db2.gz LYPXSJSLFDTMRO-CQSZACIVSA-N 0 0 331.372 3.154 10 5 EGBERN CC(C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000871167247 1296255689 /nfs/dbraw/zinc/25/56/89/1296255689.db2.gz RTJREVAHAQMAIH-HNNXBMFYSA-N 0 0 331.372 3.154 10 5 EGBERN CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCCO1 ZINC000871170528 1296258528 /nfs/dbraw/zinc/25/85/28/1296258528.db2.gz QJJYITVDGMOAEZ-GFCCVEGCSA-N 0 0 326.780 3.326 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NOCCCC(F)(F)F ZINC000871215246 1296278873 /nfs/dbraw/zinc/27/88/73/1296278873.db2.gz UXFPSBIWXNKBRQ-KTKRTIGZSA-N 0 0 332.278 3.388 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000871289371 1296320694 /nfs/dbraw/zinc/32/06/94/1296320694.db2.gz NZZKIOLZOAJPPW-SJCJKPOMSA-N 0 0 343.383 3.011 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000871306418 1296336218 /nfs/dbraw/zinc/33/62/18/1296336218.db2.gz IEWCHMPMPUEDKN-WMLDXEAASA-N 0 0 346.427 3.194 10 5 EGBERN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1F)NC1CCCCC1 ZINC000871694290 1296484081 /nfs/dbraw/zinc/48/40/81/1296484081.db2.gz KBLZBRKYVKOFMZ-UHFFFAOYSA-N 0 0 330.743 3.215 10 5 EGBERN C[C@H]1CCCCN1C(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694447 1296484959 /nfs/dbraw/zinc/48/49/59/1296484959.db2.gz MDXDQXWCDMDVCM-VIFPVBQESA-N 0 0 330.743 3.167 10 5 EGBERN C[C@@H](SCc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000871715061 1296497145 /nfs/dbraw/zinc/49/71/45/1296497145.db2.gz ACIRXDYEBYVVRX-OLZOCXBDSA-N 0 0 348.428 3.217 10 5 EGBERN Cc1csc([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000871750927 1296516967 /nfs/dbraw/zinc/51/69/67/1296516967.db2.gz BHKIGLYCGLKBEM-LLVKDONJSA-N 0 0 332.385 3.381 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(Cn2cc(C3CC3)cn2)o1 ZINC000871758813 1296521636 /nfs/dbraw/zinc/52/16/36/1296521636.db2.gz NOOHMFGELCPKHW-UHFFFAOYSA-N 0 0 345.746 3.420 10 5 EGBERN Cc1cccc(C(=O)NCCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872023715 1296666997 /nfs/dbraw/zinc/66/69/97/1296666997.db2.gz JSFPLYGSCXZWFK-ZDUSSCGKSA-N 0 0 345.374 3.123 10 5 EGBERN Cc1ccc(C(=O)NCCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024187 1296667464 /nfs/dbraw/zinc/66/74/64/1296667464.db2.gz OYVCELHPRKKEBS-CYBMUJFWSA-N 0 0 345.374 3.123 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000873499813 1297545605 /nfs/dbraw/zinc/54/56/05/1297545605.db2.gz HDCSOGJXCOCTFI-DQYPLSBCSA-N 0 0 335.356 3.132 10 5 EGBERN CC(C)(C)[C@H]1C[C@@H](OC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000873574567 1297599108 /nfs/dbraw/zinc/59/91/08/1297599108.db2.gz OQTZYTRRNZNXSC-SWLSCSKDSA-N 0 0 337.372 3.111 10 5 EGBERN COc1cccc(C(=O)O[C@H]2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000873576323 1297602081 /nfs/dbraw/zinc/60/20/81/1297602081.db2.gz UHMJFTOKWJELDZ-SMDDNHRTSA-N 0 0 337.372 3.354 10 5 EGBERN COc1ccc(C(=O)O[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873580121 1297606787 /nfs/dbraw/zinc/60/67/87/1297606787.db2.gz QHVYYLACRPTLEK-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN CC(=O)C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000697512344 1298164599 /nfs/dbraw/zinc/16/45/99/1298164599.db2.gz HYDVETHPPMZRLL-UHFFFAOYSA-N 0 0 327.178 3.163 10 5 EGBERN CC(=O)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000877947802 1299661527 /nfs/dbraw/zinc/66/15/27/1299661527.db2.gz SUSCVGFSUZHITR-UHFFFAOYSA-N 0 0 325.752 3.081 10 5 EGBERN C[C@H](NC(=O)c1cnc(CC2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000880152562 1300955349 /nfs/dbraw/zinc/95/53/49/1300955349.db2.gz MBSDWVJMWNGXPE-JTQLQIEISA-N 0 0 331.397 3.495 10 5 EGBERN CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000882036337 1301798765 /nfs/dbraw/zinc/79/87/65/1301798765.db2.gz WXWPLPWYWAQQBD-SFHVURJKSA-N 0 0 342.399 3.336 10 5 EGBERN CC(=O)c1c(NCc2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000882648395 1302044137 /nfs/dbraw/zinc/04/41/37/1302044137.db2.gz HAZOXCYTMBIMKH-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CCC3(CCOCC3)CO2)c([N+](=O)[O-])c1 ZINC000882788255 1302106296 /nfs/dbraw/zinc/10/62/96/1302106296.db2.gz OBMHXCVUYAVMDB-HNNXBMFYSA-N 0 0 348.399 3.185 10 5 EGBERN C/C(=C/C(=O)N[C@H](c1cnn(C)c1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000885424965 1303138361 /nfs/dbraw/zinc/13/83/61/1303138361.db2.gz UHWMAVJOWFENGZ-GWCFYCIZSA-N 0 0 342.399 3.245 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000885995354 1303313126 /nfs/dbraw/zinc/31/31/26/1303313126.db2.gz NMJWQRKOATYYPI-KRTXAFLBSA-N 0 0 345.218 3.339 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCCCc1ccoc1 ZINC000893334403 1305837149 /nfs/dbraw/zinc/83/71/49/1305837149.db2.gz JFJIECSPRJKVHZ-UHFFFAOYSA-N 0 0 331.324 3.327 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCCC1(F)F ZINC000893403776 1305874319 /nfs/dbraw/zinc/87/43/19/1305874319.db2.gz TYHXWAAKBPIPTM-NSHDSACASA-N 0 0 341.358 3.216 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000893495936 1305928922 /nfs/dbraw/zinc/92/89/22/1305928922.db2.gz WELQSHYUKRAOCJ-UKRRQHHQSA-N 0 0 337.372 3.211 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000893523865 1305949520 /nfs/dbraw/zinc/94/95/20/1305949520.db2.gz MSVXULRFMGRMGN-QMTHXVAHSA-N 0 0 333.319 3.031 10 5 EGBERN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C(C)(C)C1 ZINC000893669785 1306019661 /nfs/dbraw/zinc/01/96/61/1306019661.db2.gz CPBBBIYMHJHUER-LLVKDONJSA-N 0 0 334.372 3.017 10 5 EGBERN CC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCCOC1 ZINC000893852333 1306097563 /nfs/dbraw/zinc/09/75/63/1306097563.db2.gz UPUXKGIBAQKVIP-WMLDXEAASA-N 0 0 346.427 3.338 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000893860809 1306102285 /nfs/dbraw/zinc/10/22/85/1306102285.db2.gz CBMZECCBHYJFEJ-DOMZBBRYSA-N 0 0 340.807 3.112 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894340790 1306349500 /nfs/dbraw/zinc/34/95/00/1306349500.db2.gz RCFSOCBEPJSNQR-PHIMTYICSA-N 0 0 338.454 3.142 10 5 EGBERN Cc1cc(N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000895298422 1309274560 /nfs/dbraw/zinc/27/45/60/1309274560.db2.gz IXECPLAWMUFCPQ-UONOGXRCSA-N 0 0 347.415 3.102 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCS[C@@H](C(F)(F)F)C1 ZINC000895598773 1309422744 /nfs/dbraw/zinc/42/27/44/1309422744.db2.gz QQGXZOOKYOTQQO-GFCCVEGCSA-N 0 0 334.319 3.282 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Br)c1 ZINC000896076793 1309689317 /nfs/dbraw/zinc/68/93/17/1309689317.db2.gz BFPDVWUYUZWVCB-UMNHJUIQSA-N 0 0 339.189 3.360 10 5 EGBERN CC(=O)c1cc(NCC[C@@H](N(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000896112462 1309704235 /nfs/dbraw/zinc/70/42/35/1309704235.db2.gz VBKDYLLTJTVUHO-CYBMUJFWSA-N 0 0 333.310 3.092 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000897010697 1310134121 /nfs/dbraw/zinc/13/41/21/1310134121.db2.gz PYMCFITZQFDHMR-WNCDQNTKSA-N 0 0 341.367 3.143 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000897562799 1310381047 /nfs/dbraw/zinc/38/10/47/1310381047.db2.gz RQYCZUPQTGBPOB-CABCVRRESA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000898387705 1310703309 /nfs/dbraw/zinc/70/33/09/1310703309.db2.gz CROWWPNPIWOBCZ-ZDUSSCGKSA-N 0 0 342.399 3.235 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(C(F)(F)F)CCOCC1 ZINC000857571648 1328551071 /nfs/dbraw/zinc/55/10/71/1328551071.db2.gz LCLQCPJUNBGQRF-UHFFFAOYSA-N 0 0 336.241 3.032 10 5 EGBERN Cc1c(OC(=O)C2(C(F)(F)F)CCOCC2)cccc1[N+](=O)[O-] ZINC000857580183 1328553636 /nfs/dbraw/zinc/55/36/36/1328553636.db2.gz RYVRUGKINBILAK-UHFFFAOYSA-N 0 0 333.262 3.168 10 5 EGBERN O=C(C[C@H]1CCC(F)(F)C1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000857636142 1328570659 /nfs/dbraw/zinc/57/06/59/1328570659.db2.gz GCVCOYXPDJYVKF-MRVPVSSYSA-N 0 0 330.243 3.234 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCc3nc(F)ccc32)ccc1[N+](=O)[O-] ZINC000857891962 1328616105 /nfs/dbraw/zinc/61/61/05/1328616105.db2.gz IKZBDFXRGGRMQO-UHFFFAOYSA-N 0 0 345.330 3.119 10 5 EGBERN CCC1(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)COC1 ZINC000929601114 1328643565 /nfs/dbraw/zinc/64/35/65/1328643565.db2.gz MLRTVZATQXVNSJ-UHFFFAOYSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858013084 1328658289 /nfs/dbraw/zinc/65/82/89/1328658289.db2.gz PSRWEYIWAKBXRX-OAHLLOKOSA-N 0 0 331.347 3.091 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000858045652 1328669324 /nfs/dbraw/zinc/66/93/24/1328669324.db2.gz XMKLNCUJQCKKKM-HNNXBMFYSA-N 0 0 331.347 3.091 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000899461219 1317045450 /nfs/dbraw/zinc/04/54/50/1317045450.db2.gz ODNFVMGVNGIOOO-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN CC(C)(CCC(=O)N1CCCC[C@@H]1CC1(O)CCCCC1)[N+](=O)[O-] ZINC000899752406 1317145491 /nfs/dbraw/zinc/14/54/91/1317145491.db2.gz VLXNKZBCVKABKX-OAHLLOKOSA-N 0 0 340.464 3.288 10 5 EGBERN O=C(C[C@@H]1CCc2sccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000899910591 1317199027 /nfs/dbraw/zinc/19/90/27/1317199027.db2.gz JCKFJAHAHXQFDG-JTQLQIEISA-N 0 0 330.365 3.430 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000899936703 1317203381 /nfs/dbraw/zinc/20/33/81/1317203381.db2.gz FCZQJZDBSYTGHK-CYBMUJFWSA-N 0 0 347.415 3.187 10 5 EGBERN CCO[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000858224299 1328715125 /nfs/dbraw/zinc/71/51/25/1328715125.db2.gz AWRRXMJKRIJXPK-AWEZNQCLSA-N 0 0 328.796 3.268 10 5 EGBERN O=C(CC[C@@H]1CCCCO1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385050 1319020430 /nfs/dbraw/zinc/02/04/30/1319020430.db2.gz NBPSKCKKTIDXPY-NSHDSACASA-N 0 0 344.770 3.353 10 5 EGBERN CCC(C)(C)C(=O)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386249 1319020934 /nfs/dbraw/zinc/02/09/34/1319020934.db2.gz RPKLXLAZVHZBPB-UHFFFAOYSA-N 0 0 330.743 3.009 10 5 EGBERN COCC(C)(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385795 1319021072 /nfs/dbraw/zinc/02/10/72/1319021072.db2.gz JREPICBKMQSBKC-UHFFFAOYSA-N 0 0 332.759 3.066 10 5 EGBERN C[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000913386043 1319021255 /nfs/dbraw/zinc/02/12/55/1319021255.db2.gz LZNRANYMISMARE-TVQRCGJNSA-N 0 0 344.770 3.209 10 5 EGBERN COC(C)(C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913735015 1319111045 /nfs/dbraw/zinc/11/10/45/1319111045.db2.gz PDNJSOOUVFKCFZ-UHFFFAOYSA-N 0 0 328.796 3.112 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000913759108 1319117549 /nfs/dbraw/zinc/11/75/49/1319117549.db2.gz IOBTVDZDPXIUQA-SCZZXKLOSA-N 0 0 344.795 3.212 10 5 EGBERN O=C(OC[C@H]1CC=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915804875 1319538367 /nfs/dbraw/zinc/53/83/67/1319538367.db2.gz XLVYDWJNCKGLII-ZDUSSCGKSA-N 0 0 327.340 3.294 10 5 EGBERN COc1cccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2(C)C)c1 ZINC000915949324 1319569558 /nfs/dbraw/zinc/56/95/58/1319569558.db2.gz NAVFIHBGEMOJHU-AWEZNQCLSA-N 0 0 343.383 3.340 10 5 EGBERN COc1cc(N2CCC[C@@](O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000858716192 1328837464 /nfs/dbraw/zinc/83/74/64/1328837464.db2.gz LSBTZTPXCBVZIV-SFHVURJKSA-N 0 0 346.358 3.231 10 5 EGBERN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3nonc32)c(OC)c1 ZINC000858728554 1328843968 /nfs/dbraw/zinc/84/39/68/1328843968.db2.gz VVPGWZPNIOCUOP-VIFPVBQESA-N 0 0 344.327 3.321 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858732710 1328845960 /nfs/dbraw/zinc/84/59/60/1328845960.db2.gz DARNPRXTTSRFSI-SNVBAGLBSA-N 0 0 333.369 3.268 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000858810005 1328866834 /nfs/dbraw/zinc/86/68/34/1328866834.db2.gz VUQOXGFROHLHFT-OTYXRUKQSA-N 0 0 340.763 3.014 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000858837150 1328872039 /nfs/dbraw/zinc/87/20/39/1328872039.db2.gz LWPNMVBXVCGOLR-AWEZNQCLSA-N 0 0 328.368 3.441 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000859432621 1328986379 /nfs/dbraw/zinc/98/63/79/1328986379.db2.gz YLBFAARKOGMYMN-QUCGXOGASA-N 0 0 330.431 3.023 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000930882802 1328995830 /nfs/dbraw/zinc/99/58/30/1328995830.db2.gz LNVTUZLBCCVGSO-CLYYMRHHSA-N 0 0 337.401 3.152 10 5 EGBERN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2F)nc2ccccc12 ZINC000919251099 1322045272 /nfs/dbraw/zinc/04/52/72/1322045272.db2.gz PWPTVVDROAUPIK-UHFFFAOYSA-N 0 0 341.298 3.343 10 5 EGBERN Cc1cc2ncc(C(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000920157522 1322145795 /nfs/dbraw/zinc/14/57/95/1322145795.db2.gz LGBGLGBPKNQDOW-LBPRGKRZSA-N 0 0 340.339 3.172 10 5 EGBERN O=C(OCc1noc(C2CCC2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000859533485 1329010594 /nfs/dbraw/zinc/01/05/94/1329010594.db2.gz NDQYSSQKSAJMGG-UHFFFAOYSA-N 0 0 342.311 3.084 10 5 EGBERN C[C@@H](c1ccncc1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930972881 1329019232 /nfs/dbraw/zinc/01/92/32/1329019232.db2.gz ANZYNQARANSVNV-LBPRGKRZSA-N 0 0 331.347 3.281 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921804975 1322400756 /nfs/dbraw/zinc/40/07/56/1322400756.db2.gz AMTUWMNQOQWYQG-KBPBESRZSA-N 0 0 347.415 3.447 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H](CO)c1ccccc1 ZINC000922098261 1322455194 /nfs/dbraw/zinc/45/51/94/1322455194.db2.gz IAHKLXKEWRIVDX-QGZVFWFLSA-N 0 0 328.368 3.099 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000922412828 1322523735 /nfs/dbraw/zinc/52/37/35/1322523735.db2.gz QZRWVZKRWBHDKG-KWQFWETISA-N 0 0 337.225 3.001 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922716223 1322601449 /nfs/dbraw/zinc/60/14/49/1322601449.db2.gz PQOXIPOTNGTJTH-CKEIUWERSA-N 0 0 349.431 3.406 10 5 EGBERN COc1ccc(COC(=O)[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000923427769 1322750313 /nfs/dbraw/zinc/75/03/13/1322750313.db2.gz VTOGQSACLSZLJQ-AWEZNQCLSA-N 0 0 349.383 3.386 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCc1cccc([N+](=O)[O-])c1 ZINC000923723707 1322797630 /nfs/dbraw/zinc/79/76/30/1322797630.db2.gz XFVNUTBUUKXUCW-NWDGAFQWSA-N 0 0 333.262 3.138 10 5 EGBERN CCCc1occc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859678655 1329052056 /nfs/dbraw/zinc/05/20/56/1329052056.db2.gz DIDRNHNFHABGHH-UHFFFAOYSA-N 0 0 335.287 3.319 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000923913910 1322845638 /nfs/dbraw/zinc/84/56/38/1322845638.db2.gz VONIHFLDLRDVID-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1cc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])nc(C)n1 ZINC000923963756 1322857957 /nfs/dbraw/zinc/85/79/57/1322857957.db2.gz VSQRXRJNYPEJFU-UHFFFAOYSA-N 0 0 349.774 3.331 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@H]1CC1(Cl)Cl ZINC000923966803 1322858803 /nfs/dbraw/zinc/85/88/03/1322858803.db2.gz XHDDKCJWWSDOKF-SECBINFHSA-N 0 0 336.146 3.404 10 5 EGBERN CC1(C(=O)COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000923967888 1322859101 /nfs/dbraw/zinc/85/91/01/1322859101.db2.gz SQZYDNOFGAAMQP-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000923983384 1322864490 /nfs/dbraw/zinc/86/44/90/1322864490.db2.gz PJPLFAXPVGHTSD-MRRJBJDNSA-N 0 0 347.415 3.160 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc([C@@H]2CCCOC2)no1 ZINC000924026461 1322877012 /nfs/dbraw/zinc/87/70/12/1322877012.db2.gz DYXSXWKLZZFZIO-SNVBAGLBSA-N 0 0 337.763 3.310 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c2ccccc2c(=O)n1C ZINC000931246058 1329078314 /nfs/dbraw/zinc/07/83/14/1329078314.db2.gz MAGCDKDZQNHZHA-UHFFFAOYSA-N 0 0 341.367 3.084 10 5 EGBERN CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)N(C)C ZINC000859811555 1329083148 /nfs/dbraw/zinc/08/31/48/1329083148.db2.gz RYLIVSNIHBQANK-INIZCTEOSA-N 0 0 344.367 3.018 10 5 EGBERN C[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCCO1 ZINC000931297442 1329088544 /nfs/dbraw/zinc/08/85/44/1329088544.db2.gz IKSYOXQZYULUHS-AWEZNQCLSA-N 0 0 327.768 3.329 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1CCSCC1 ZINC000931357787 1329101668 /nfs/dbraw/zinc/10/16/68/1329101668.db2.gz HFJJPQFKYLQUBD-UHFFFAOYSA-N 0 0 328.821 3.193 10 5 EGBERN CC[C@H](C)C(=O)COC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999564 1329125117 /nfs/dbraw/zinc/12/51/17/1329125117.db2.gz SPCGSPCLDAUOPC-QMMMGPOBSA-N 0 0 344.161 3.129 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860065535 1329138894 /nfs/dbraw/zinc/13/88/94/1329138894.db2.gz AXTZVCFTJPQNSG-CGTJXYLNSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1c(COC(=O)[C@H]2C[C@]2(C)Br)cccc1[N+](=O)[O-] ZINC000860117673 1329150557 /nfs/dbraw/zinc/15/05/57/1329150557.db2.gz XDRUWUGPSIAXGZ-MFKMUULPSA-N 0 0 328.162 3.120 10 5 EGBERN C[C@H](OC(=O)[C@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000860120210 1329151472 /nfs/dbraw/zinc/15/14/72/1329151472.db2.gz QJHKXHFDEQNFQE-RLCGTCKNSA-N 0 0 328.162 3.373 10 5 EGBERN C[C@H](OC(=O)[C@@H]1C[C@@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000860120473 1329151677 /nfs/dbraw/zinc/15/16/77/1329151677.db2.gz SSVBCWFFHHWQCX-GMOODISLSA-N 0 0 328.162 3.373 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000931610791 1329153297 /nfs/dbraw/zinc/15/32/97/1329153297.db2.gz QXNQXAZQJANGCU-FGWVZKOKSA-N 0 0 325.365 3.282 10 5 EGBERN C[C@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860178425 1329167789 /nfs/dbraw/zinc/16/77/89/1329167789.db2.gz AECSAGBXEOASQZ-SMDDNHRTSA-N 0 0 332.356 3.045 10 5 EGBERN CC(C)(C)SCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931720551 1329170920 /nfs/dbraw/zinc/17/09/20/1329170920.db2.gz CTOPTVACOQWPEX-UHFFFAOYSA-N 0 0 328.409 3.314 10 5 EGBERN C[C@@H](NC(=O)NC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000925247101 1325095228 /nfs/dbraw/zinc/09/52/28/1325095228.db2.gz IDZQRRGXFOAEHI-IUODEOHRSA-N 0 0 335.404 3.303 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252018 1325098965 /nfs/dbraw/zinc/09/89/65/1325098965.db2.gz HXSUWHFFTMMXDK-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(NCC[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860688779 1329344511 /nfs/dbraw/zinc/34/45/11/1329344511.db2.gz AIRYDSYLECFEIF-OAHLLOKOSA-N 0 0 328.368 3.437 10 5 EGBERN CC(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000926877003 1327751331 /nfs/dbraw/zinc/75/13/31/1327751331.db2.gz CDARXFUKTIBCGO-AWEZNQCLSA-N 0 0 332.381 3.353 10 5 EGBERN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031251 1327825605 /nfs/dbraw/zinc/82/56/05/1327825605.db2.gz WVBPJNHJUVZVOA-XNRPHZJLSA-N 0 0 346.456 3.291 10 5 EGBERN CSc1cccc(C(=O)OCc2cc(C)nnc2C)c1[N+](=O)[O-] ZINC000861060362 1329383465 /nfs/dbraw/zinc/38/34/65/1329383465.db2.gz MRMIPOYHMYRMFV-UHFFFAOYSA-N 0 0 333.369 3.081 10 5 EGBERN C[C@@H](C(=O)NCc1nccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000927613230 1328078261 /nfs/dbraw/zinc/07/82/61/1328078261.db2.gz TXGZCJHNALHYKP-CYBMUJFWSA-N 0 0 339.395 3.289 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000927620303 1328083569 /nfs/dbraw/zinc/08/35/69/1328083569.db2.gz IIVYIKXUVIBKDR-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC000928090781 1328195353 /nfs/dbraw/zinc/19/53/53/1328195353.db2.gz UWFGZCXJPOUCQM-DYVFJYSZSA-N 0 0 344.342 3.413 10 5 EGBERN C[C@H](C(=O)N1CCS[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000928137543 1328211220 /nfs/dbraw/zinc/21/12/20/1328211220.db2.gz ZHFDZQANBYVDGV-CABZTGNLSA-N 0 0 348.346 3.205 10 5 EGBERN CCc1ccc(C(=O)NCc2cc(C(F)F)on2)cc1[N+](=O)[O-] ZINC000928155169 1328219182 /nfs/dbraw/zinc/21/91/82/1328219182.db2.gz OJMUIAOFEVRJHB-UHFFFAOYSA-N 0 0 325.271 3.013 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1COC(C)(C)C ZINC000928240771 1328251354 /nfs/dbraw/zinc/25/13/54/1328251354.db2.gz NAGFJRSAVCXFOX-ZDUSSCGKSA-N 0 0 336.388 3.023 10 5 EGBERN CCC[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1 ZINC000861673877 1329435717 /nfs/dbraw/zinc/43/57/17/1329435717.db2.gz HEIGXTAXWWZSCY-SFHVURJKSA-N 0 0 328.368 3.437 10 5 EGBERN CC1(C)CCC(C)(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000862967349 1329520823 /nfs/dbraw/zinc/52/08/23/1329520823.db2.gz FGZIZQDFEILTTC-UHFFFAOYSA-N 0 0 348.399 3.261 10 5 EGBERN COC(=O)[C@@](C)(NC(=O)/C=C(/C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000863300606 1329545149 /nfs/dbraw/zinc/54/51/49/1329545149.db2.gz DZYDJGIQOHQGLY-ANGAQGJPSA-N 0 0 348.399 3.092 10 5 EGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OC(F)(F)O2 ZINC000864044987 1329594763 /nfs/dbraw/zinc/59/47/63/1329594763.db2.gz GOEDXKFKUNSOSW-UHFFFAOYSA-N 0 0 337.234 3.308 10 5 EGBERN CC(C)(C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864990450 1329659231 /nfs/dbraw/zinc/65/92/31/1329659231.db2.gz LAGQLGUESRNYRO-UHFFFAOYSA-N 0 0 329.194 3.062 10 5 EGBERN CC[C@@H](C)[C@@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864999937 1329660243 /nfs/dbraw/zinc/66/02/43/1329660243.db2.gz FAXLWTRSPZWAQO-NXEZZACHSA-N 0 0 343.221 3.451 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865352589 1329688386 /nfs/dbraw/zinc/68/83/86/1329688386.db2.gz OBRZYBIDTGLDDV-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CC4(CO3)CCOCC4)c2)c1 ZINC000865362623 1329688940 /nfs/dbraw/zinc/68/89/40/1329688940.db2.gz BPPWLQYHKNDYPW-KRWDZBQOSA-N 0 0 343.383 3.044 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OCc2nc(C3CCC3)no2)c(F)c1F ZINC000865372097 1329689766 /nfs/dbraw/zinc/68/97/66/1329689766.db2.gz KCSBGRQSMCRXAP-UHFFFAOYSA-N 0 0 347.224 3.381 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC([C@H](O)c2ccccc2)CC1 ZINC000865426750 1329695722 /nfs/dbraw/zinc/69/57/22/1329695722.db2.gz XPCKBMHMNXSYOF-MRXNPFEDSA-N 0 0 331.347 3.079 10 5 EGBERN CC(C)Oc1ccc([C@@H](O)CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000865542694 1329711331 /nfs/dbraw/zinc/71/13/31/1329711331.db2.gz WMRYLNZYWSRXAM-HNNXBMFYSA-N 0 0 335.335 3.062 10 5 EGBERN C[C@@H](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000865620968 1329721321 /nfs/dbraw/zinc/72/13/21/1329721321.db2.gz HIILAERQZZYHEV-ZDVLTJLQSA-N 0 0 325.217 3.471 10 5 EGBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865953090 1329754139 /nfs/dbraw/zinc/75/41/39/1329754139.db2.gz DPNMAALZKTUJAA-LLVKDONJSA-N 0 0 341.358 3.273 10 5 EGBERN Cc1cnc(NCc2ccc(C3(C)OCCO3)cc2)c([N+](=O)[O-])c1 ZINC000866007946 1329758568 /nfs/dbraw/zinc/75/85/68/1329758568.db2.gz YWKJJLSOJOTFNT-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ccc([N+](=O)[O-])nc1 ZINC000866053839 1330060050 /nfs/dbraw/zinc/06/00/50/1330060050.db2.gz XXWDKKPQDHCLIQ-UHFFFAOYSA-N 0 0 348.403 3.016 10 5 EGBERN O=C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CCCCCCN1 ZINC000866055797 1330060498 /nfs/dbraw/zinc/06/04/98/1330060498.db2.gz HLKGYWWVNLCYJW-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN O=C(NCCSCCC(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000866140461 1330069704 /nfs/dbraw/zinc/06/97/04/1330069704.db2.gz CYNMBNRJPBCSLB-UHFFFAOYSA-N 0 0 337.323 3.402 10 5 EGBERN O=[N+]([O-])c1ccc(N2Cc3cccnc3N3CCC[C@@H]3C2)c(F)c1 ZINC000866157425 1330071479 /nfs/dbraw/zinc/07/14/79/1330071479.db2.gz SFNICMCLLUGIAK-CQSZACIVSA-N 0 0 328.347 3.118 10 5 EGBERN Cc1cc(N2Cc3cccnc3N3CCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000866158548 1330071767 /nfs/dbraw/zinc/07/17/67/1330071767.db2.gz OBWQVSCBCMGLOR-CYBMUJFWSA-N 0 0 330.413 3.349 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000866158690 1330071769 /nfs/dbraw/zinc/07/17/69/1330071769.db2.gz PEVZXROHQHAFCZ-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN CCc1nn(C)c(NCc2ccc(OC(F)F)cc2F)c1[N+](=O)[O-] ZINC000866182798 1330074923 /nfs/dbraw/zinc/07/49/23/1330074923.db2.gz DENDIWOVUUYYPV-UHFFFAOYSA-N 0 0 344.293 3.243 10 5 EGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2CCC2(F)F)cc1Cl ZINC000866618837 1330133999 /nfs/dbraw/zinc/13/39/99/1330133999.db2.gz LOZJASPXTHFBHY-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868479873 1330284526 /nfs/dbraw/zinc/28/45/26/1330284526.db2.gz LYKGEHWIHOSDIZ-CVEARBPZSA-N 0 0 349.431 3.296 10 5 EGBERN COc1c(C)cccc1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868751873 1330332443 /nfs/dbraw/zinc/33/24/43/1330332443.db2.gz QXBUFIYTWVHPNL-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000869052554 1330403031 /nfs/dbraw/zinc/40/30/31/1330403031.db2.gz BAVJQDBUMOSRRW-CYBMUJFWSA-N 0 0 328.372 3.201 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000869053705 1330403800 /nfs/dbraw/zinc/40/38/00/1330403800.db2.gz RISLAIFZEWTHGK-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000869720481 1330553450 /nfs/dbraw/zinc/55/34/50/1330553450.db2.gz GNPIEHHGDQNEFM-DHZHZOJOSA-N 0 0 342.399 3.100 10 5 EGBERN COCc1sccc1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000869807437 1330567544 /nfs/dbraw/zinc/56/75/44/1330567544.db2.gz QYSOJIOPEQYCAD-UHFFFAOYSA-N 0 0 337.353 3.039 10 5 EGBERN COCc1sccc1C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000869807631 1330567652 /nfs/dbraw/zinc/56/76/52/1330567652.db2.gz SEGZPBPEDGOMGV-UHFFFAOYSA-N 0 0 337.353 3.168 10 5 EGBERN Cc1noc(C)c1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810559 1330568622 /nfs/dbraw/zinc/56/86/22/1330568622.db2.gz JCKDKISNTQEKKH-UHFFFAOYSA-N 0 0 330.340 3.365 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)nc2C1 ZINC000869857222 1330577856 /nfs/dbraw/zinc/57/78/56/1330577856.db2.gz UCKAGJGGVMCLNJ-SNVBAGLBSA-N 0 0 349.774 3.384 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000869892050 1330584222 /nfs/dbraw/zinc/58/42/22/1330584222.db2.gz OSLYZUJQTNAJNM-DDNMXHNFSA-N 0 0 346.383 3.066 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000869892052 1330584425 /nfs/dbraw/zinc/58/44/25/1330584425.db2.gz OSLYZUJQTNAJNM-FYGCWZCISA-N 0 0 346.383 3.066 10 5 EGBERN COc1cc(C(=O)N2CC(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001183468940 1387311302 /nfs/dbraw/zinc/31/13/02/1387311302.db2.gz KUAAPDMQMXMZIX-UHFFFAOYSA-N 0 0 346.770 3.496 10 5 EGBERN Cc1cncc(C(=O)OCCOc2ccccc2[N+](=O)[O-])c1Cl ZINC001323364788 1387352418 /nfs/dbraw/zinc/35/24/18/1387352418.db2.gz RMNTXEOXNLTFQR-UHFFFAOYSA-N 0 0 336.731 3.187 10 5 EGBERN Cc1nc(NCc2ccc(F)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001184839596 1387548168 /nfs/dbraw/zinc/54/81/68/1387548168.db2.gz MMFZPCGHJRBAMX-UHFFFAOYSA-N 0 0 330.241 3.463 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1Cc2ccccc21 ZINC001184965835 1387575065 /nfs/dbraw/zinc/57/50/65/1387575065.db2.gz OVWCPEAQXZDFIK-SECBINFHSA-N 0 0 326.278 3.099 10 5 EGBERN Cc1cccc2nc(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)cn21 ZINC001189625771 1367072284 /nfs/dbraw/zinc/07/22/84/1367072284.db2.gz CKQKJJNGISLZMD-UHFFFAOYSA-N 0 0 333.351 3.463 10 5 EGBERN O=[N+]([O-])c1cn(Cc2cccnc2C(F)(F)F)nc1-c1ccccn1 ZINC001189752746 1367103570 /nfs/dbraw/zinc/10/35/70/1367103570.db2.gz KQBXHVJYEJKATM-UHFFFAOYSA-N 0 0 349.272 3.315 10 5 EGBERN CC(C)CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1=O ZINC001186195836 1387893862 /nfs/dbraw/zinc/89/38/62/1387893862.db2.gz SGSMTXIQBZBEFB-UHFFFAOYSA-N 0 0 346.214 3.206 10 5 EGBERN CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC001192260868 1367732933 /nfs/dbraw/zinc/73/29/33/1367732933.db2.gz AAIFFLVRPIAYDB-CYBMUJFWSA-N 0 0 343.221 3.358 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCC(F)(F)CC3)c2c1 ZINC001186238498 1387903012 /nfs/dbraw/zinc/90/30/12/1387903012.db2.gz GVKCDZWCJINITD-UHFFFAOYSA-N 0 0 338.270 3.287 10 5 EGBERN Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001192987552 1367917359 /nfs/dbraw/zinc/91/73/59/1367917359.db2.gz BRMCFVQTJVOVEQ-AWEZNQCLSA-N 0 0 349.431 3.344 10 5 EGBERN O=C1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc2N1 ZINC001195546825 1368451733 /nfs/dbraw/zinc/45/17/33/1368451733.db2.gz JMGATZZOALMSGD-UHFFFAOYSA-N 0 0 331.759 3.203 10 5 EGBERN CO[C@H]1COCC[C@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186540121 1387966466 /nfs/dbraw/zinc/96/64/66/1387966466.db2.gz HYJZAJKKTIFUAE-HZMBPMFUSA-N 0 0 348.321 3.385 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC001186565420 1387970968 /nfs/dbraw/zinc/97/09/68/1387970968.db2.gz QIBUAMNSKVKZCG-KRWDZBQOSA-N 0 0 335.404 3.490 10 5 EGBERN CNC(=O)c1ccc(Oc2ccc(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC001186738231 1388002098 /nfs/dbraw/zinc/00/20/98/1388002098.db2.gz BYXPYISBPDOEBW-UHFFFAOYSA-N 0 0 336.731 3.409 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186821100 1388011286 /nfs/dbraw/zinc/01/12/86/1388011286.db2.gz BKTSDMCXSMWWPM-KGLIPLIRSA-N 0 0 330.363 3.475 10 5 EGBERN Cc1cn2c(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(C)nc2s1 ZINC001186855148 1388014932 /nfs/dbraw/zinc/01/49/32/1388014932.db2.gz RRVASTGCFHUMGD-UHFFFAOYSA-N 0 0 342.384 3.409 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCCCc3ccco3)c2c1 ZINC001187162643 1388062202 /nfs/dbraw/zinc/06/22/02/1388062202.db2.gz ZWWIJSNOAMAWFB-UHFFFAOYSA-N 0 0 327.340 3.211 10 5 EGBERN O=C1C[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)Oc2ccccc21 ZINC001187341200 1388097535 /nfs/dbraw/zinc/09/75/35/1388097535.db2.gz RRQDMCSIWMGHAR-SNVBAGLBSA-N 0 0 333.731 3.089 10 5 EGBERN C[C@@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccnn1C ZINC001187379897 1388101529 /nfs/dbraw/zinc/10/15/29/1388101529.db2.gz GTKQALNJXKNGFK-MRVPVSSYSA-N 0 0 332.751 3.098 10 5 EGBERN Cc1ccc(C[N@@H+]2CCCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC001117538148 1371051347 /nfs/dbraw/zinc/05/13/47/1371051347.db2.gz NFVYUAJVYXUAHJ-UHFFFAOYSA-N 0 0 326.400 3.011 10 5 EGBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(n1)CCCC2 ZINC001118396750 1371173550 /nfs/dbraw/zinc/17/35/50/1371173550.db2.gz YWAQUZRZRAMZEV-UHFFFAOYSA-N 0 0 330.315 3.365 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001118730374 1371217285 /nfs/dbraw/zinc/21/72/85/1371217285.db2.gz DNXXVADYHQRIQV-UHFFFAOYSA-N 0 0 337.326 3.087 10 5 EGBERN Cc1nc2c(cccc2CCNc2nc3sccn3c2[N+](=O)[O-])o1 ZINC001187542260 1388122941 /nfs/dbraw/zinc/12/29/41/1388122941.db2.gz QZGQULVIFHADSO-UHFFFAOYSA-N 0 0 343.368 3.408 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118868754 1371243328 /nfs/dbraw/zinc/24/33/28/1371243328.db2.gz PSTYSKNCQDJGLK-VXFNFUGZSA-N 0 0 336.779 3.415 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001187594272 1388128832 /nfs/dbraw/zinc/12/88/32/1388128832.db2.gz XMQLOTWRXNDKBF-KBXCAEBGSA-N 0 0 328.343 3.138 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001119669657 1371384915 /nfs/dbraw/zinc/38/49/15/1371384915.db2.gz SWVKBYIBSDNAJV-CQSZACIVSA-N 0 0 348.399 3.073 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)/C(C)=C/c1ccc(Br)o1 ZINC001123256857 1372408579 /nfs/dbraw/zinc/40/85/79/1372408579.db2.gz QOACEVKXPGEBOR-BNICOGTQSA-N 0 0 332.150 3.044 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001123269390 1372410835 /nfs/dbraw/zinc/41/08/35/1372410835.db2.gz YAGUSVIUEBPSTN-VIFPVBQESA-N 0 0 329.303 3.303 10 5 EGBERN CC(C)(C(=O)OC[C@@]12CCC[C@H]1OCC2)c1ccccc1[N+](=O)[O-] ZINC001123329442 1372428192 /nfs/dbraw/zinc/42/81/92/1372428192.db2.gz FIOILTSLKBHPQY-QAPCUYQASA-N 0 0 333.384 3.375 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001123989958 1372650553 /nfs/dbraw/zinc/65/05/53/1372650553.db2.gz FGJDYSFXEMIALO-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC001124026872 1372659645 /nfs/dbraw/zinc/65/96/45/1372659645.db2.gz XOAVYNQPWCGDQV-OAHLLOKOSA-N 0 0 345.399 3.353 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c([N+](=O)[O-])c1 ZINC001124340446 1372693467 /nfs/dbraw/zinc/69/34/67/1372693467.db2.gz AJPAOXYOQWFWRM-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001124431404 1372700817 /nfs/dbraw/zinc/70/08/17/1372700817.db2.gz SUZNNCPSSDPBJP-UHFFFAOYSA-N 0 0 333.271 3.048 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCOc2cccc(F)c2)c1C ZINC001124903709 1372738899 /nfs/dbraw/zinc/73/88/99/1372738899.db2.gz GUZIRTSYPLCQOX-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC(c2ccccc2C)=NO1 ZINC001125150187 1372756897 /nfs/dbraw/zinc/75/68/97/1372756897.db2.gz SWBCXLZTDBSNQT-KRWDZBQOSA-N 0 0 340.335 3.310 10 5 EGBERN COc1c(F)cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1F ZINC001125321880 1372769797 /nfs/dbraw/zinc/76/97/97/1372769797.db2.gz OVRJWOHKHLYDEP-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1C ZINC001125419198 1372784301 /nfs/dbraw/zinc/78/43/01/1372784301.db2.gz SDVITSKPBMLEAR-UHFFFAOYSA-N 0 0 330.296 3.477 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(Cl)ccn1 ZINC001125627255 1372821366 /nfs/dbraw/zinc/82/13/66/1372821366.db2.gz FLAKQCLGGAYEBO-UHFFFAOYSA-N 0 0 338.772 3.479 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Oc1ccccc1OC(F)F ZINC001125826182 1372865617 /nfs/dbraw/zinc/86/56/17/1372865617.db2.gz BBLKSJNEHOUSEL-UHFFFAOYSA-N 0 0 341.241 3.483 10 5 EGBERN O=C(COC(=O)c1ccc(C2CC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC001125859256 1372875217 /nfs/dbraw/zinc/87/52/17/1372875217.db2.gz PIDRSRURQSDCBN-UHFFFAOYSA-N 0 0 340.335 3.268 10 5 EGBERN CCn1ncc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001125863696 1372876443 /nfs/dbraw/zinc/87/64/43/1372876443.db2.gz DTPXEVICJRLZKU-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC001126090208 1372931425 /nfs/dbraw/zinc/93/14/25/1372931425.db2.gz IIGHEQMOEHLHQK-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001126113517 1372936931 /nfs/dbraw/zinc/93/69/31/1372936931.db2.gz LJXOIDVDDOASFH-RDJZCZTQSA-N 0 0 345.399 3.125 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001126199638 1372947797 /nfs/dbraw/zinc/94/77/97/1372947797.db2.gz MQDMXIROTAYKEW-CHWSQXEVSA-N 0 0 348.399 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2OC(C)(C)C)n1 ZINC001126587835 1372978043 /nfs/dbraw/zinc/97/80/43/1372978043.db2.gz MHISATHWUAMDMB-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccc(Cl)cc21 ZINC001127643062 1373152277 /nfs/dbraw/zinc/15/22/77/1373152277.db2.gz YOYCMJKTHUEPGN-MRXNPFEDSA-N 0 0 330.771 3.247 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127667607 1373156726 /nfs/dbraw/zinc/15/67/26/1373156726.db2.gz VKRCNCXANQJJHS-AQNFWKISSA-N 0 0 339.395 3.358 10 5 EGBERN O=C(Nc1ncccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001127751664 1373173738 /nfs/dbraw/zinc/17/37/38/1373173738.db2.gz IKJYPGXRPFQLFG-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCc2c1cccc2F ZINC001127817019 1373185712 /nfs/dbraw/zinc/18/57/12/1373185712.db2.gz BOPZMLCCEUTMNT-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Oc1cccc2c1OCCO2 ZINC001127821867 1373186689 /nfs/dbraw/zinc/18/66/89/1373186689.db2.gz XSFNSPIYMMHERO-UHFFFAOYSA-N 0 0 347.298 3.043 10 5 EGBERN CCCc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)no1 ZINC001127864653 1373191814 /nfs/dbraw/zinc/19/18/14/1373191814.db2.gz VCKNVVTVBFTACG-UHFFFAOYSA-N 0 0 340.339 3.066 10 5 EGBERN Cc1ccc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC001127877964 1373194700 /nfs/dbraw/zinc/19/47/00/1373194700.db2.gz VNNOCLUFHJUCFY-UHFFFAOYSA-N 0 0 331.347 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001127913628 1373199310 /nfs/dbraw/zinc/19/93/10/1373199310.db2.gz QKRNOKIGHBFYSO-GFCCVEGCSA-N 0 0 348.305 3.353 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2ccccc2)s1 ZINC001128320747 1373251685 /nfs/dbraw/zinc/25/16/85/1373251685.db2.gz HPLHWXGTPJYEPP-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(C2(C)CC2)n1 ZINC001128633423 1373300006 /nfs/dbraw/zinc/30/00/06/1373300006.db2.gz PQLIUNUQDIMNAL-UHFFFAOYSA-N 0 0 342.355 3.087 10 5 EGBERN CCCCc1cnc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)nc1 ZINC001128857768 1373316698 /nfs/dbraw/zinc/31/66/98/1373316698.db2.gz OTAXWMMMYAZMMY-UHFFFAOYSA-N 0 0 332.335 3.427 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001128906623 1373322634 /nfs/dbraw/zinc/32/26/34/1373322634.db2.gz JVRHURIJPXDZEV-IHNWGIHHSA-N 0 0 338.363 3.289 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H](Cc2ccccc2)OC)cc1[N+](=O)[O-] ZINC001129162487 1373355694 /nfs/dbraw/zinc/35/56/94/1373355694.db2.gz IKNRAASGZGKVTA-QGZVFWFLSA-N 0 0 342.395 3.145 10 5 EGBERN CC(C)Oc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC001129195658 1373360137 /nfs/dbraw/zinc/36/01/37/1373360137.db2.gz VDXHZIGWLYLFNU-UHFFFAOYSA-N 0 0 344.323 3.363 10 5 EGBERN Cc1cc(Cl)cnc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001129339249 1373373453 /nfs/dbraw/zinc/37/34/53/1373373453.db2.gz QEACTWVGZKXTBA-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cscc1Br ZINC001129382986 1373378447 /nfs/dbraw/zinc/37/84/47/1373378447.db2.gz CPQLOSMUYYXADH-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 ZINC001129446224 1373384028 /nfs/dbraw/zinc/38/40/28/1373384028.db2.gz DKIDXZANWGTOTC-PHIMTYICSA-N 0 0 345.321 3.491 10 5 EGBERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001130225789 1373476929 /nfs/dbraw/zinc/47/69/29/1373476929.db2.gz FYRIOJRXQAIEGX-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001130613877 1373571027 /nfs/dbraw/zinc/57/10/27/1373571027.db2.gz LRIIMVHMEPGNFR-PRLABOORSA-N 0 0 345.443 3.362 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(OC2CC2)cc1 ZINC001130892769 1373604355 /nfs/dbraw/zinc/60/43/55/1373604355.db2.gz QBJLUEKLDZUUNW-UHFFFAOYSA-N 0 0 329.308 3.120 10 5 EGBERN COc1cncc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1C ZINC001130959957 1373616610 /nfs/dbraw/zinc/61/66/10/1373616610.db2.gz QGSQEUBHDBJFGJ-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Oc1cnn(-c2ccccc2)c1 ZINC001131014884 1373624865 /nfs/dbraw/zinc/62/48/65/1373624865.db2.gz HHMBGFKSFMHJQE-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2O1 ZINC001131052297 1373633525 /nfs/dbraw/zinc/63/35/25/1373633525.db2.gz XWLOCHFSHVYHJV-VIFPVBQESA-N 0 0 344.279 3.046 10 5 EGBERN CC(=O)Nc1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001131381112 1373686836 /nfs/dbraw/zinc/68/68/36/1373686836.db2.gz KHLVVAZUXUEVMD-UHFFFAOYSA-N 0 0 333.731 3.459 10 5 EGBERN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c2ccccn12 ZINC001131462661 1373703621 /nfs/dbraw/zinc/70/36/21/1373703621.db2.gz RYEGECDTYNDOLW-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN CC1(C)C[C@@]1(NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001131667427 1373752440 /nfs/dbraw/zinc/75/24/40/1373752440.db2.gz GKVMNBNBPGATLB-LJQANCHMSA-N 0 0 340.379 3.415 10 5 EGBERN COc1cccc(SCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC001188456191 1388312335 /nfs/dbraw/zinc/31/23/35/1388312335.db2.gz ZOCKORFZCQLHAY-UHFFFAOYSA-N 0 0 346.364 3.304 10 5 EGBERN O=[N+]([O-])c1cnn(Cc2noc(-c3cccc(Cl)c3Cl)n2)c1 ZINC001188599011 1388339749 /nfs/dbraw/zinc/33/97/49/1388339749.db2.gz JWZSWHPQVKUDLC-UHFFFAOYSA-N 0 0 340.126 3.196 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CCCC3(CCC3)O2)c1 ZINC001188627974 1388347989 /nfs/dbraw/zinc/34/79/89/1388347989.db2.gz RLNAGDNFALWZSZ-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN O=C(Cc1cscn1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001131967124 1375074926 /nfs/dbraw/zinc/07/49/26/1375074926.db2.gz ZTXAMLABZWCSBS-LBPRGKRZSA-N 0 0 346.286 3.441 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC001132418963 1375366091 /nfs/dbraw/zinc/36/60/91/1375366091.db2.gz QDVOPRADJMMDDF-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1c(CC(=O)NCc2noc3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC001132661619 1375502900 /nfs/dbraw/zinc/50/29/00/1375502900.db2.gz CUCLJOSMORXQEA-UHFFFAOYSA-N 0 0 343.314 3.042 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)COc1ccccc1C(C)C ZINC001132747219 1375544106 /nfs/dbraw/zinc/54/41/06/1375544106.db2.gz FXXZOTPYOJOXDZ-UHFFFAOYSA-N 0 0 345.355 3.139 10 5 EGBERN COc1ccc(C(=O)N(C)Cc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC001132894319 1375630037 /nfs/dbraw/zinc/63/00/37/1375630037.db2.gz CCOOOTQWRVGODX-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(F)c2occc21 ZINC001132962822 1375676235 /nfs/dbraw/zinc/67/62/35/1375676235.db2.gz IRRBCXAJTBXBID-UHFFFAOYSA-N 0 0 331.259 3.136 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccsc1C(F)(F)F ZINC001132962896 1375676340 /nfs/dbraw/zinc/67/63/40/1375676340.db2.gz MCJFLCCWYILFRU-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CC(C)Oc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001133420587 1375997849 /nfs/dbraw/zinc/99/78/49/1375997849.db2.gz HCGRCHMLMKHVTD-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H]1CCC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC001230514707 1376048344 /nfs/dbraw/zinc/04/83/44/1376048344.db2.gz MDWXEGGZLOLKQD-VBNZEHGJSA-N 0 0 335.404 3.303 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001133655040 1376140801 /nfs/dbraw/zinc/14/08/01/1376140801.db2.gz XVQRDOZAYNIKKW-LLVKDONJSA-N 0 0 327.340 3.044 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133706235 1376166768 /nfs/dbraw/zinc/16/67/68/1376166768.db2.gz IFWMLZSWCULAJM-RYUDHWBXSA-N 0 0 332.331 3.379 10 5 EGBERN COC(=O)C1(c2ccc(CSc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC001189012235 1388436096 /nfs/dbraw/zinc/43/60/96/1388436096.db2.gz AEAAFXKFSZPGTR-UHFFFAOYSA-N 0 0 344.392 3.487 10 5 EGBERN COc1c(Cl)cccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001134297836 1376462678 /nfs/dbraw/zinc/46/26/78/1376462678.db2.gz LSZRLWOEGGRVIJ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CCC(=O)N1CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC001134354740 1376490899 /nfs/dbraw/zinc/49/08/99/1376490899.db2.gz NREHSNVAQFICQD-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN Cc1ccc(C(=O)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001134495773 1376568961 /nfs/dbraw/zinc/56/89/61/1376568961.db2.gz QUQPTIOQTBZBNY-ZDUSSCGKSA-N 0 0 326.352 3.006 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCC=CCCC1 ZINC001134766150 1376709772 /nfs/dbraw/zinc/70/97/72/1376709772.db2.gz KKJDRRPRALHXQI-CYBMUJFWSA-N 0 0 336.363 3.365 10 5 EGBERN O=C(NC[C@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC001134975457 1376821726 /nfs/dbraw/zinc/82/17/26/1376821726.db2.gz NAVQRFQFNPMCNY-OAHLLOKOSA-N 0 0 332.743 3.250 10 5 EGBERN Cc1cc(NC(=O)c2ncccc2Br)cc([N+](=O)[O-])c1 ZINC001135146165 1376933141 /nfs/dbraw/zinc/93/31/41/1376933141.db2.gz DUDXAVUMNOAJIT-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC001135799317 1377213229 /nfs/dbraw/zinc/21/32/29/1377213229.db2.gz DACOHDSDBOPSCX-CQSZACIVSA-N 0 0 329.381 3.144 10 5 EGBERN CCCN(Cc1c(F)cccc1Cl)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001136176489 1377361226 /nfs/dbraw/zinc/36/12/26/1377361226.db2.gz YIFQLSGDLWFOHV-UHFFFAOYSA-N 0 0 340.742 3.163 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2COc3ccccc3C2)cc1Cl ZINC001136241042 1377368018 /nfs/dbraw/zinc/36/80/18/1377368018.db2.gz CBIYNPCBTODVMM-GFCCVEGCSA-N 0 0 346.770 3.290 10 5 EGBERN CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001136318880 1377377205 /nfs/dbraw/zinc/37/72/05/1377377205.db2.gz USYBSWNDVSEULO-UHFFFAOYSA-N 0 0 330.315 3.360 10 5 EGBERN CC[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001137550740 1377564926 /nfs/dbraw/zinc/56/49/26/1377564926.db2.gz OWJGILLULRKRLG-GMSGAONNSA-N 0 0 329.759 3.278 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(C=O)c[nH]c3c1)CC2 ZINC001137828063 1377623581 /nfs/dbraw/zinc/62/35/81/1377623581.db2.gz LGJVHUPLBKGOJY-UHFFFAOYSA-N 0 0 349.346 3.400 10 5 EGBERN Cc1cccc(O)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137852051 1377631042 /nfs/dbraw/zinc/63/10/42/1377631042.db2.gz JHGFIZRGZHZRIN-UHFFFAOYSA-N 0 0 334.759 3.235 10 5 EGBERN CN(CCN(C)C(=O)CC1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001272092963 1377656779 /nfs/dbraw/zinc/65/67/79/1377656779.db2.gz LKNQGWARSVLAKQ-UHFFFAOYSA-N 0 0 347.459 3.311 10 5 EGBERN Cc1nc2c(cccc2NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)o1 ZINC001140676474 1378111760 /nfs/dbraw/zinc/11/17/60/1378111760.db2.gz XEARUGHQGCRPSK-UHFFFAOYSA-N 0 0 326.312 3.187 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1C ZINC001141514401 1378337305 /nfs/dbraw/zinc/33/73/05/1378337305.db2.gz PTRGHCZADZZVHW-HNNXBMFYSA-N 0 0 348.786 3.328 10 5 EGBERN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141525705 1378339551 /nfs/dbraw/zinc/33/95/51/1378339551.db2.gz NXQDZSINVZMGAI-VIFPVBQESA-N 0 0 334.763 3.059 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCSC1 ZINC001141624606 1378353059 /nfs/dbraw/zinc/35/30/59/1378353059.db2.gz ZVWXFZUIBPLCLL-LLVKDONJSA-N 0 0 328.821 3.050 10 5 EGBERN Cc1ncc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)o1 ZINC001142007806 1378404136 /nfs/dbraw/zinc/40/41/36/1378404136.db2.gz CSSMEWFPEVZGPI-UHFFFAOYSA-N 0 0 348.117 3.267 10 5 EGBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1 ZINC001142255610 1378425460 /nfs/dbraw/zinc/42/54/60/1378425460.db2.gz ZXOSCWZBEJWVAB-GFCCVEGCSA-N 0 0 334.763 3.195 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001143093094 1378538438 /nfs/dbraw/zinc/53/84/38/1378538438.db2.gz MHJBXGHZOSHMJF-CXAGYDPISA-N 0 0 329.331 3.460 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)c1 ZINC001143328173 1378580528 /nfs/dbraw/zinc/58/05/28/1378580528.db2.gz SJJVBPBYWANMNW-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1ccc2ccnc(NC(=O)COc3ccccc3[N+](=O)[O-])c2c1 ZINC001144064289 1378677736 /nfs/dbraw/zinc/67/77/36/1378677736.db2.gz YKVFLSYCTUFYLV-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN O=c1[nH]cnc2cc(N[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)c([N+](=O)[O-])cc12 ZINC001327714510 1388589521 /nfs/dbraw/zinc/58/95/21/1388589521.db2.gz NPWHEOAMUAEQGO-QNSHHTMESA-N 0 0 336.298 3.089 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(O)CCC(C)(C)CC1 ZINC001148687648 1379242715 /nfs/dbraw/zinc/24/27/15/1379242715.db2.gz KNQLRFKFHDPAHG-UHFFFAOYSA-N 0 0 334.416 3.273 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3ccccn3)o2)ccc1OC(F)F ZINC001327808707 1388598309 /nfs/dbraw/zinc/59/83/09/1388598309.db2.gz PIYLKPSFASXGFD-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN Cc1ccc(CNC(=O)c2sc3ncccc3c2N)cc1[N+](=O)[O-] ZINC001152095618 1379861647 /nfs/dbraw/zinc/86/16/47/1379861647.db2.gz WFMPQTJFZTYPCM-UHFFFAOYSA-N 0 0 342.380 3.025 10 5 EGBERN CC(F)(F)c1c(F)cccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001152474786 1379939426 /nfs/dbraw/zinc/93/94/26/1379939426.db2.gz SVFREFKUBLLRKD-UHFFFAOYSA-N 0 0 341.245 3.199 10 5 EGBERN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC001152593305 1379954784 /nfs/dbraw/zinc/95/47/84/1379954784.db2.gz XQAREUGRYDFUEY-NSHDSACASA-N 0 0 333.775 3.106 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnc2[nH]ccc2c1 ZINC001152593288 1379955161 /nfs/dbraw/zinc/95/51/61/1379955161.db2.gz XCPLFXJIPLZHET-UHFFFAOYSA-N 0 0 344.758 3.049 10 5 EGBERN CC1(C)CC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001152651002 1379963034 /nfs/dbraw/zinc/96/30/34/1379963034.db2.gz FPKKGMDNMSPDIK-HNNXBMFYSA-N 0 0 334.416 3.349 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC001153184664 1380031664 /nfs/dbraw/zinc/03/16/64/1380031664.db2.gz FUFBDPZLXFRUDK-JSGCOSHPSA-N 0 0 346.362 3.026 10 5 EGBERN Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cnc1C ZINC001153428709 1380075918 /nfs/dbraw/zinc/07/59/18/1380075918.db2.gz PWJRBBANNSSGRB-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC001153517773 1380088181 /nfs/dbraw/zinc/08/81/81/1380088181.db2.gz BIRWOTKCWQUKJP-VIFPVBQESA-N 0 0 349.416 3.049 10 5 EGBERN CCc1c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cnn1CCC(C)C ZINC001154166113 1380218984 /nfs/dbraw/zinc/21/89/84/1380218984.db2.gz OLRXIOBPDHNNRA-UHFFFAOYSA-N 0 0 345.403 3.356 10 5 EGBERN C[C@@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1 ZINC001154728859 1380341212 /nfs/dbraw/zinc/34/12/12/1380341212.db2.gz XHYBYAUFNQGQLQ-RNCFNFMXSA-N 0 0 334.763 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC(C)(c3ccccc3)C2)n1 ZINC001156158031 1380533251 /nfs/dbraw/zinc/53/32/51/1380533251.db2.gz IORCMEHQJVQEHA-UHFFFAOYSA-N 0 0 325.368 3.148 10 5 EGBERN CC(C)c1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)C2 ZINC001156748776 1380626515 /nfs/dbraw/zinc/62/65/15/1380626515.db2.gz DLIAFAPQAJBFEI-UHFFFAOYSA-N 0 0 339.395 3.499 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCSc1ccccn1 ZINC001157382164 1380859152 /nfs/dbraw/zinc/85/91/52/1380859152.db2.gz LSIQTKREWYEWCB-UHFFFAOYSA-N 0 0 349.387 3.350 10 5 EGBERN Cc1ccc([S@](C)(=O)=NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001157515744 1380953358 /nfs/dbraw/zinc/95/33/58/1380953358.db2.gz ORPFYRUYMRQCCU-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN COc1ccc(C(=O)Nc2cc(F)c(O)cc2Cl)cc1[N+](=O)[O-] ZINC001157893893 1381064189 /nfs/dbraw/zinc/06/41/89/1381064189.db2.gz RNZILJLFWSJNDY-UHFFFAOYSA-N 0 0 340.694 3.354 10 5 EGBERN CC(C)c1ncsc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001158237956 1381171441 /nfs/dbraw/zinc/17/14/41/1381171441.db2.gz FACSFDASWKNOFE-UHFFFAOYSA-N 0 0 349.397 3.432 10 5 EGBERN CC(=O)N1CC[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001287672347 1381329774 /nfs/dbraw/zinc/32/97/74/1381329774.db2.gz ZUZXBURQJDTMEJ-KRWDZBQOSA-N 0 0 340.335 3.250 10 5 EGBERN Cc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)noc1C(C)(C)C ZINC001287995901 1381473868 /nfs/dbraw/zinc/47/38/68/1381473868.db2.gz NBODBVKSIOGNLX-UHFFFAOYSA-N 0 0 347.327 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1F ZINC001328354791 1388728919 /nfs/dbraw/zinc/72/89/19/1388728919.db2.gz CCFIFODYPKNHRF-AOOOYVTPSA-N 0 0 342.342 3.257 10 5 EGBERN CSc1ccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328374991 1388732141 /nfs/dbraw/zinc/73/21/41/1388732141.db2.gz UHOBZFGPCCHWJW-OUAUKWLOSA-N 0 0 342.367 3.480 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc(C)cc1Cl ZINC001288215715 1381731077 /nfs/dbraw/zinc/73/10/77/1381731077.db2.gz GINBPTIZRVCAHF-UHFFFAOYSA-N 0 0 335.747 3.141 10 5 EGBERN Cc1ccc(F)c(N)c1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001159795458 1381903236 /nfs/dbraw/zinc/90/32/36/1381903236.db2.gz CCWCQYHGQYPSLX-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN C[C@@H]1Cc2cc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)ccc2O1 ZINC001288646031 1381904578 /nfs/dbraw/zinc/90/45/78/1381904578.db2.gz YKQXUYYTMKANBH-SECBINFHSA-N 0 0 348.305 3.126 10 5 EGBERN Cc1cc(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cc([N+](=O)[O-])c1 ZINC001288645569 1381904651 /nfs/dbraw/zinc/90/46/51/1381904651.db2.gz URYWVXHARWWKSM-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1cc(C(=O)NC[C@]2(c3ccccc3)CCCO2)cc([N+](=O)[O-])c1 ZINC001289147071 1381977725 /nfs/dbraw/zinc/97/77/25/1381977725.db2.gz YOKXHZPDABIZLV-IBGZPJMESA-N 0 0 340.379 3.339 10 5 EGBERN COc1ccc(C)nc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001289500427 1382001722 /nfs/dbraw/zinc/00/17/22/1382001722.db2.gz ZNRHPNZYAAFMMB-UHFFFAOYSA-N 0 0 333.369 3.281 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC=CCCC1 ZINC001289651725 1382006610 /nfs/dbraw/zinc/00/66/10/1382006610.db2.gz KTGYBUHSGGMFSG-AWEZNQCLSA-N 0 0 342.399 3.197 10 5 EGBERN CCCn1cc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cn1 ZINC001293955167 1382399344 /nfs/dbraw/zinc/39/93/44/1382399344.db2.gz CWJBBMUBWKFBRG-UHFFFAOYSA-N 0 0 339.355 3.189 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cn1 ZINC001161802903 1382511594 /nfs/dbraw/zinc/51/15/94/1382511594.db2.gz AITJMFVOENOXGA-UHFFFAOYSA-N 0 0 337.738 3.329 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)OC)C(C)C ZINC001295161745 1382559787 /nfs/dbraw/zinc/55/97/87/1382559787.db2.gz QROYZQKFAQFHEV-CYBMUJFWSA-N 0 0 347.419 3.123 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](OC)C1(C)C ZINC001162686106 1382833323 /nfs/dbraw/zinc/83/33/23/1382833323.db2.gz NFLLXGXBZXSUTK-RYUDHWBXSA-N 0 0 342.779 3.260 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1C ZINC001296169696 1382913119 /nfs/dbraw/zinc/91/31/19/1382913119.db2.gz DKIIZTWDZAGCPE-KKZNHRDASA-N 0 0 334.401 3.154 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc(F)cc2SC)c1[N+](=O)[O-] ZINC001162983935 1382937661 /nfs/dbraw/zinc/93/76/61/1382937661.db2.gz JSUACSLPEPDWKV-UHFFFAOYSA-N 0 0 336.348 3.145 10 5 EGBERN CC(C)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2F)n2ncnc2n1 ZINC001163404852 1383044277 /nfs/dbraw/zinc/04/42/77/1383044277.db2.gz WDGWUAJALBZPRH-UHFFFAOYSA-N 0 0 335.270 3.226 10 5 EGBERN COC(=O)Cc1ccc(Sc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC001163459854 1383056028 /nfs/dbraw/zinc/05/60/28/1383056028.db2.gz SPAVAAMLNMJKCK-UHFFFAOYSA-N 0 0 345.376 3.396 10 5 EGBERN Cc1cc(N2CCNC(=O)[C@H]2CC2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001163522689 1383071814 /nfs/dbraw/zinc/07/18/14/1383071814.db2.gz FAEPCCIRYYMZFO-QGZVFWFLSA-N 0 0 349.406 3.318 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@]12C[C@@H]1CCCC2 ZINC001163906586 1383134654 /nfs/dbraw/zinc/13/46/54/1383134654.db2.gz LQPROVIFZCJXBS-XPTSAGLGSA-N 0 0 346.355 3.336 10 5 EGBERN Cc1ccnc(Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1[N+](=O)[O-] ZINC001163968339 1383141131 /nfs/dbraw/zinc/14/11/31/1383141131.db2.gz OXLFCLVAEUZGJB-UHFFFAOYSA-N 0 0 342.355 3.399 10 5 EGBERN COc1nscc1CN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001164225695 1383168238 /nfs/dbraw/zinc/16/82/38/1383168238.db2.gz JBLQADIHYSVXBG-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001164260230 1383172090 /nfs/dbraw/zinc/17/20/90/1383172090.db2.gz BCRWFIDRXYTYMD-YCQIBGRGSA-N 0 0 348.399 3.134 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCc1ccc(Oc2ccccc2)cn1 ZINC001164349323 1383179450 /nfs/dbraw/zinc/17/94/50/1383179450.db2.gz BDAVDPKQVROLCT-UHFFFAOYSA-N 0 0 325.328 3.128 10 5 EGBERN CC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001297856977 1383266135 /nfs/dbraw/zinc/26/61/35/1383266135.db2.gz HSBPNWAFQUNYDN-UHFFFAOYSA-N 0 0 329.356 3.022 10 5 EGBERN Cc1ccc(C(=O)NCc2ccc(O)c3ncccc23)cc1[N+](=O)[O-] ZINC001297870602 1383270407 /nfs/dbraw/zinc/27/04/07/1383270407.db2.gz VSJUJRZABKOVAB-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2occc2c1 ZINC001165766210 1383342320 /nfs/dbraw/zinc/34/23/20/1383342320.db2.gz ZZIUTKZYLRSTOF-UHFFFAOYSA-N 0 0 325.324 3.313 10 5 EGBERN Cc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1F ZINC001165851141 1383352523 /nfs/dbraw/zinc/35/25/23/1383352523.db2.gz RJLIQWYNWZVNKC-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN CC(C)COC(=O)N(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001165925124 1383365981 /nfs/dbraw/zinc/36/59/81/1383365981.db2.gz BSIAIQZQZFRCKJ-UHFFFAOYSA-N 0 0 332.360 3.140 10 5 EGBERN Cc1cccc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)c1[N+](=O)[O-] ZINC001166063814 1383384869 /nfs/dbraw/zinc/38/48/69/1383384869.db2.gz MHJGYINHCGSKLB-UHFFFAOYSA-N 0 0 331.259 3.141 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOc1cc(C)c([N+](=O)[O-])cc1Cl ZINC001166154779 1383395570 /nfs/dbraw/zinc/39/55/70/1383395570.db2.gz FVVVFEWXRKRFNU-UHFFFAOYSA-N 0 0 340.723 3.049 10 5 EGBERN Cc1ccc(F)cc1Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC001166240680 1383406232 /nfs/dbraw/zinc/40/62/32/1383406232.db2.gz SVHWNJYTGGMWFY-UHFFFAOYSA-N 0 0 330.294 3.488 10 5 EGBERN Cc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)c(C)c1 ZINC001298573090 1383411700 /nfs/dbraw/zinc/41/17/00/1383411700.db2.gz IRGKOYXOTPCAAM-UHFFFAOYSA-N 0 0 339.395 3.255 10 5 EGBERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC001299161076 1383478066 /nfs/dbraw/zinc/47/80/66/1383478066.db2.gz WWSBMSRWMBKCMD-LLVKDONJSA-N 0 0 331.347 3.019 10 5 EGBERN CC(C)(C)CNC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001166872598 1383491083 /nfs/dbraw/zinc/49/10/83/1383491083.db2.gz MXILUUHMIRUVFO-UHFFFAOYSA-N 0 0 335.187 3.443 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2cnco2)c1 ZINC001300181817 1383651537 /nfs/dbraw/zinc/65/15/37/1383651537.db2.gz GHWFSUCZTNRMLO-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC2CCC1CC2 ZINC001300206595 1383652459 /nfs/dbraw/zinc/65/24/59/1383652459.db2.gz LUVWORGPFJZBGQ-XKGSQUFQSA-N 0 0 335.379 3.261 10 5 EGBERN CSCC1(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001300550146 1383670439 /nfs/dbraw/zinc/67/04/39/1383670439.db2.gz MNPMYUCKKDCNBQ-UHFFFAOYSA-N 0 0 342.848 3.440 10 5 EGBERN Cc1noc(CN2CCCC[C@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC001167567319 1383672398 /nfs/dbraw/zinc/67/23/98/1383672398.db2.gz DKGMCFFNHNJVFB-NSHDSACASA-N 0 0 335.364 3.125 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001301062799 1383693277 /nfs/dbraw/zinc/69/32/77/1383693277.db2.gz PLACDLGHZMWNDV-CYBMUJFWSA-N 0 0 327.331 3.121 10 5 EGBERN C[C@H]1CC[C@@H](CC(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001303528601 1383802914 /nfs/dbraw/zinc/80/29/14/1383802914.db2.gz NZDRQNZADGAADH-QWHCGFSZSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1ccc2c(c1)N(c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)CC2 ZINC001306944986 1383924547 /nfs/dbraw/zinc/92/45/47/1383924547.db2.gz JSRASZUWMLWPRX-UHFFFAOYSA-N 0 0 337.379 3.490 10 5 EGBERN COc1cc(NC[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC001306983972 1383929953 /nfs/dbraw/zinc/92/99/53/1383929953.db2.gz VAMJITUOEUGDKM-SJCJKPOMSA-N 0 0 338.404 3.475 10 5 EGBERN C[S@](=O)c1ccc(CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001306990224 1383930565 /nfs/dbraw/zinc/93/05/65/1383930565.db2.gz KCPDSEDKAYPGCM-DEOSSOPVSA-N 0 0 341.392 3.493 10 5 EGBERN CCn1cnc2c1nc(Cl)nc2NCCc1cccc([N+](=O)[O-])c1 ZINC001307085770 1383938517 /nfs/dbraw/zinc/93/85/17/1383938517.db2.gz LKHBAQDFVCHXGE-UHFFFAOYSA-N 0 0 346.778 3.062 10 5 EGBERN CC(C)Oc1nc(NCc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC001307099429 1383940469 /nfs/dbraw/zinc/94/04/69/1383940469.db2.gz XAVLDKLTWRZGTE-UHFFFAOYSA-N 0 0 330.388 3.455 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC001307144472 1383944919 /nfs/dbraw/zinc/94/49/19/1383944919.db2.gz AFZIRRKXSSUXPF-SMYYYNMVSA-N 0 0 342.355 3.053 10 5 EGBERN Cc1nc(N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001307147944 1383945526 /nfs/dbraw/zinc/94/55/26/1383945526.db2.gz IHKDMSFIAORGML-YVEFUNNKSA-N 0 0 331.347 3.404 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)c2c1 ZINC001307163261 1383948078 /nfs/dbraw/zinc/94/80/78/1383948078.db2.gz APJNDHFCPQMPOK-ZSPDNNCOSA-N 0 0 335.310 3.029 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001307189459 1383953130 /nfs/dbraw/zinc/95/31/30/1383953130.db2.gz HHRRTQWJVKVVTR-UHFFFAOYSA-N 0 0 345.311 3.210 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3ncnc4ccccc43)nc2c1 ZINC001307209909 1383957870 /nfs/dbraw/zinc/95/78/70/1383957870.db2.gz SCKUXLKEOVHTKX-UHFFFAOYSA-N 0 0 348.366 3.459 10 5 EGBERN COC(=O)c1ccnc(NCc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC001307225915 1383960191 /nfs/dbraw/zinc/96/01/91/1383960191.db2.gz RWBAEZMQJRTGDJ-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N[C@@H](CO)c2cc(F)ccc2F)c(F)c1 ZINC001307231015 1383961700 /nfs/dbraw/zinc/96/17/00/1383961700.db2.gz DRBKPUAUWNAFOZ-ZDUSSCGKSA-N 0 0 330.237 3.297 10 5 EGBERN COc1ccc(OCc2cccnc2[N+](=O)[O-])c(Br)c1 ZINC001307328132 1383971796 /nfs/dbraw/zinc/97/17/96/1383971796.db2.gz QIVCJBJSAXRAJI-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001307328059 1383971832 /nfs/dbraw/zinc/97/18/32/1383971832.db2.gz XMIISMLQGQMKLB-TUAOUCFPSA-N 0 0 343.408 3.146 10 5 EGBERN COC(=O)[C@H]1CCCC[C@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001307324914 1383971990 /nfs/dbraw/zinc/97/19/90/1383971990.db2.gz OVSFHMCXKIPMOK-YOEHRIQHSA-N 0 0 343.383 3.438 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(C)ccn1 ZINC001307393528 1383982066 /nfs/dbraw/zinc/98/20/66/1383982066.db2.gz SWRWUABCNXOZPG-UHFFFAOYSA-N 0 0 333.369 3.038 10 5 EGBERN Cc1cc(CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC001307406758 1383983590 /nfs/dbraw/zinc/98/35/90/1383983590.db2.gz MMPXYQJDAHGVSJ-UHFFFAOYSA-N 0 0 341.776 3.417 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCOc2c(F)c(F)ccc21 ZINC001307849551 1384042286 /nfs/dbraw/zinc/04/22/86/1384042286.db2.gz ORINQJBPNZACSE-UHFFFAOYSA-N 0 0 336.294 3.151 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2cccc(F)c2)CC1 ZINC001308011648 1384073801 /nfs/dbraw/zinc/07/38/01/1384073801.db2.gz RFDRVPKQIVZERZ-UHFFFAOYSA-N 0 0 333.338 3.195 10 5 EGBERN COc1ccc(CN2CCCC[C@@H]2c2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC001308109057 1384093645 /nfs/dbraw/zinc/09/36/45/1384093645.db2.gz LRCXFHAIWDWUNQ-OAHLLOKOSA-N 0 0 330.388 3.362 10 5 EGBERN CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121673 1384096439 /nfs/dbraw/zinc/09/64/39/1384096439.db2.gz KQRMBNSPULAOQB-SECBINFHSA-N 0 0 347.198 3.287 10 5 EGBERN CC(C)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001170127137 1384242153 /nfs/dbraw/zinc/24/21/53/1384242153.db2.gz CLOCXFXUKKFWJA-KRWDZBQOSA-N 0 0 344.411 3.497 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313682 1384339085 /nfs/dbraw/zinc/33/90/85/1384339085.db2.gz VRIXKYLZGSPLRZ-OIISXLGYSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC001312433433 1384347700 /nfs/dbraw/zinc/34/77/00/1384347700.db2.gz PTMWQIIRGCOSLC-GJZGRUSLSA-N 0 0 343.387 3.077 10 5 EGBERN O=C(NCC1(c2cccc(Cl)c2)CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001171823344 1384651161 /nfs/dbraw/zinc/65/11/61/1384651161.db2.gz CFNOIDLXNZQVNU-UHFFFAOYSA-N 0 0 333.775 3.428 10 5 EGBERN COC(=O)[C@@](C)(NCC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001175141176 1385201580 /nfs/dbraw/zinc/20/15/80/1385201580.db2.gz UWOYVSRKKHOQGH-SKDZVZGDSA-N 0 0 332.400 3.009 10 5 EGBERN C[C@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001175512817 1385317214 /nfs/dbraw/zinc/31/72/14/1385317214.db2.gz NLSSQJWRVDOYKD-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN Cc1cc(F)cc(C(=O)NCc2cc(O)ccc2Cl)c1[N+](=O)[O-] ZINC001176152145 1385496669 /nfs/dbraw/zinc/49/66/69/1385496669.db2.gz REQCTGBUXXQRFT-UHFFFAOYSA-N 0 0 338.722 3.331 10 5 EGBERN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001176422956 1385582376 /nfs/dbraw/zinc/58/23/76/1385582376.db2.gz QRBSSWURFGBEDV-QGZVFWFLSA-N 0 0 343.339 3.291 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001176785210 1385696331 /nfs/dbraw/zinc/69/63/31/1385696331.db2.gz KGSHBUMMUDGITL-BBRMVZONSA-N 0 0 340.383 3.242 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@@H]1c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001176785212 1385696815 /nfs/dbraw/zinc/69/68/15/1385696815.db2.gz KGSHBUMMUDGITL-CZUORRHYSA-N 0 0 340.383 3.242 10 5 EGBERN Cc1cn2cc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccc2n1 ZINC001318884216 1385870489 /nfs/dbraw/zinc/87/04/89/1385870489.db2.gz LGZHPKFQKBHFHW-UHFFFAOYSA-N 0 0 337.339 3.099 10 5 EGBERN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001177934756 1386088004 /nfs/dbraw/zinc/08/80/04/1386088004.db2.gz VGYDWCFVHDFHHT-JLFXFPADSA-N 0 0 348.399 3.092 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001319425016 1386116666 /nfs/dbraw/zinc/11/66/66/1386116666.db2.gz JVJDLHWKKPZDOV-NSHDSACASA-N 0 0 340.426 3.145 10 5 EGBERN O=C(Nc1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001178999443 1386372466 /nfs/dbraw/zinc/37/24/66/1386372466.db2.gz LJLALXLNFVGTCB-UHFFFAOYSA-N 0 0 337.339 3.317 10 5 EGBERN CN(CCN(C)C(=O)C1C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001319987386 1386436644 /nfs/dbraw/zinc/43/66/44/1386436644.db2.gz YZUKBMFUHSIWEI-UHFFFAOYSA-N 0 0 347.459 3.167 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CC1CCCC1 ZINC001180200057 1386731195 /nfs/dbraw/zinc/73/11/95/1386731195.db2.gz FOLCGMVQMWRRKM-CQSZACIVSA-N 0 0 348.399 3.003 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(Cl)cc3)o2)nc1 ZINC001322088289 1387050085 /nfs/dbraw/zinc/05/00/85/1387050085.db2.gz NYVZVWOYPZSFKJ-UHFFFAOYSA-N 0 0 332.703 3.272 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(C(F)(F)C3CCOCC3)o2)c1 ZINC001329277698 1389046024 /nfs/dbraw/zinc/04/60/24/1389046024.db2.gz RCJHXXKYSCCLEH-UHFFFAOYSA-N 0 0 325.271 3.163 10 5 EGBERN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001329620344 1389187071 /nfs/dbraw/zinc/18/70/71/1389187071.db2.gz UXKBNVJKEXLTHL-HNNXBMFYSA-N 0 0 345.443 3.451 10 5 EGBERN C[C@@](CO)(NC(=O)CCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001329651849 1389197965 /nfs/dbraw/zinc/19/79/65/1389197965.db2.gz HGNMJAHIMATISF-KRWDZBQOSA-N 0 0 348.424 3.003 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329654902 1389198415 /nfs/dbraw/zinc/19/84/15/1389198415.db2.gz LSSGFFPIDZMSDV-HFKOZYHYSA-N 0 0 342.254 3.090 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(CCCNC(=O)C(C)(C)C)o1 ZINC001329670155 1389199821 /nfs/dbraw/zinc/19/98/21/1389199821.db2.gz HDNXWWDBFKJRED-UHFFFAOYSA-N 0 0 346.387 3.048 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330060108 1389296642 /nfs/dbraw/zinc/29/66/42/1389296642.db2.gz QSADFMDASQMVMC-NOZJJQNGSA-N 0 0 338.795 3.400 10 5 EGBERN Cc1cc(Br)c(CNc2ncc([N+](=O)[O-])c(C)n2)s1 ZINC001330079314 1389302777 /nfs/dbraw/zinc/30/27/77/1389302777.db2.gz PGWDDZCFQAVUSL-UHFFFAOYSA-N 0 0 343.206 3.438 10 5 EGBERN CO[C@H](COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCC1 ZINC001330187103 1389332877 /nfs/dbraw/zinc/33/28/77/1389332877.db2.gz LUQHQUUMZKTURI-OAHLLOKOSA-N 0 0 330.340 3.115 10 5 EGBERN CCCC[C@@](C)(F)C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001330230202 1389350940 /nfs/dbraw/zinc/35/09/40/1389350940.db2.gz GAWHCHOJAGLNCE-MRXNPFEDSA-N 0 0 341.335 3.343 10 5 EGBERN COC[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1ccc(F)cc1 ZINC001337636039 1389405252 /nfs/dbraw/zinc/40/52/52/1389405252.db2.gz BWWAWLKNKJTKHJ-LBPRGKRZSA-N 0 0 332.291 3.070 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC001330438924 1389410252 /nfs/dbraw/zinc/41/02/52/1389410252.db2.gz CMVKNWHTPYRTBR-UHFFFAOYSA-N 0 0 347.321 3.096 10 5 EGBERN COc1ccc(F)cc1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC001338650471 1389722163 /nfs/dbraw/zinc/72/21/63/1389722163.db2.gz LCZDJXULJDOKBH-UHFFFAOYSA-N 0 0 338.360 3.085 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(Nc3cnn4c3CCCC4)c2c1 ZINC001331959680 1389925881 /nfs/dbraw/zinc/92/58/81/1389925881.db2.gz DYASXSYZGRIBLG-UHFFFAOYSA-N 0 0 344.762 3.468 10 5 EGBERN COc1cc(N(C)C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC001332091396 1389978320 /nfs/dbraw/zinc/97/83/20/1389978320.db2.gz WPTBCRBCJJTDCC-GOSISDBHSA-N 0 0 346.358 3.013 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCCO[C@H]1CC1(F)F ZINC001333217405 1390267768 /nfs/dbraw/zinc/26/77/68/1390267768.db2.gz WKAQSLMMHVZQPF-JTQLQIEISA-N 0 0 335.690 3.138 10 5 EGBERN COc1cccc(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001341076777 1390436827 /nfs/dbraw/zinc/43/68/27/1390436827.db2.gz LZTSUQKRPIEGDW-UHFFFAOYSA-N 0 0 346.358 3.034 10 5 EGBERN CCn1nc(C)cc1-c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001342548915 1390625432 /nfs/dbraw/zinc/62/54/32/1390625432.db2.gz HUGAZFKDGKUDFS-UHFFFAOYSA-N 0 0 327.344 3.453 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC[C@@H]1CCOC1 ZINC001335180456 1390651668 /nfs/dbraw/zinc/65/16/68/1390651668.db2.gz HEZWFLQOTCGLDH-NSHDSACASA-N 0 0 327.764 3.151 10 5 EGBERN O=C(/C=C\c1ccc(Cl)cc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001345158344 1390842272 /nfs/dbraw/zinc/84/22/72/1390842272.db2.gz AVFLDXCTQWFVCM-UTCJRWHESA-N 0 0 347.758 3.405 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001346129807 1390909867 /nfs/dbraw/zinc/90/98/67/1390909867.db2.gz VRPANRKREJTGEV-XKQJLSEDSA-N 0 0 347.415 3.399 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCn2c(C)cnc21 ZINC001347238269 1391036713 /nfs/dbraw/zinc/03/67/13/1391036713.db2.gz XYKFKOYKTBGGBF-GFCCVEGCSA-N 0 0 333.369 3.123 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1CCOCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348112658 1391174679 /nfs/dbraw/zinc/17/46/79/1391174679.db2.gz COBWMLLPSRMKRM-CZUORRHYSA-N 0 0 332.400 3.164 10 5 EGBERN C[C@@H](c1nnc(N2CCC[C@@H](C3CCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001348154969 1391180399 /nfs/dbraw/zinc/18/03/99/1391180399.db2.gz UJTOLOAFXDIMMW-SWLSCSKDSA-N 0 0 333.436 3.042 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001348279376 1391198419 /nfs/dbraw/zinc/19/84/19/1391198419.db2.gz KBKACALXMYIPKN-RYRKJORJSA-N 0 0 346.427 3.191 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2F)cc1SC ZINC001348754379 1391262061 /nfs/dbraw/zinc/26/20/61/1391262061.db2.gz MCWVNQAKHOWFKZ-WDEREUQCSA-N 0 0 342.392 3.336 10 5 EGBERN CON(C[C@@H]1CCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001349415621 1391328707 /nfs/dbraw/zinc/32/87/07/1391328707.db2.gz QNMHRAMHWWHQIK-AWEZNQCLSA-N 0 0 341.367 3.114 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC001349700417 1391355263 /nfs/dbraw/zinc/35/52/63/1391355263.db2.gz KFCKBPBFFUQEPT-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(NC1([C@H]2CCCO2)CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001349815964 1391370793 /nfs/dbraw/zinc/37/07/93/1391370793.db2.gz RIJJKGHABJYVPN-MRXNPFEDSA-N 0 0 345.399 3.001 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(OC(F)F)nc1 ZINC001349883529 1391380374 /nfs/dbraw/zinc/38/03/74/1391380374.db2.gz MBUKSSVFNJFKLV-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN Cc1c2ccccc2c(=O)oc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001349886558 1391380754 /nfs/dbraw/zinc/38/07/54/1391380754.db2.gz QFVCHQGXOFPSLU-UHFFFAOYSA-N 0 0 342.282 3.401 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnn(-c2ccncc2)c1 ZINC001349899734 1391383165 /nfs/dbraw/zinc/38/31/65/1391383165.db2.gz RWQVEBZYFLAFNK-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN COc1cccc(C(F)(F)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001349898894 1391383240 /nfs/dbraw/zinc/38/32/40/1391383240.db2.gz MYLTYNBUEFEJPP-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc2c1O[C@H](C)C2 ZINC001350019460 1391398908 /nfs/dbraw/zinc/39/89/08/1391398908.db2.gz CTIJINGATRJRHD-SNVBAGLBSA-N 0 0 329.308 3.146 10 5 EGBERN C[C@H](OC(=O)Cc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001350190587 1391427222 /nfs/dbraw/zinc/42/72/22/1391427222.db2.gz UUKZMDAWPQHIOY-LBPRGKRZSA-N 0 0 339.351 3.328 10 5 EGBERN Cc1c(C(=O)OC[C@@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC001350353317 1391451980 /nfs/dbraw/zinc/45/19/80/1391451980.db2.gz KYPRQPXUXARNOS-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ccc(NC3CC3)nc2)c([N+](=O)[O-])c1 ZINC001350588171 1391484549 /nfs/dbraw/zinc/48/45/49/1391484549.db2.gz MLNFQEOFMDSVMD-UHFFFAOYSA-N 0 0 327.340 3.400 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@H]2Cc3cccc(C)c3O2)c([N+](=O)[O-])c1 ZINC001350586106 1391484616 /nfs/dbraw/zinc/48/46/16/1391484616.db2.gz GFNJEGPYABDVIW-OAHLLOKOSA-N 0 0 327.336 3.429 10 5 EGBERN Cc1cccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001350621330 1391492167 /nfs/dbraw/zinc/49/21/67/1391492167.db2.gz ICAOAYOWPBZDPR-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1cccc(OCCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001350646606 1391498581 /nfs/dbraw/zinc/49/85/81/1391498581.db2.gz MCILDUFINKIATF-ZWKOTPCHSA-N 0 0 340.379 3.202 10 5 EGBERN CC(C)Oc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001350814651 1391537594 /nfs/dbraw/zinc/53/75/94/1391537594.db2.gz KLKQYZFCSNOADY-UHFFFAOYSA-N 0 0 332.331 3.451 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)CC1 ZINC001350931517 1391562103 /nfs/dbraw/zinc/56/21/03/1391562103.db2.gz MNEYJSVAQXTCQQ-KRWDZBQOSA-N 0 0 326.352 3.199 10 5 EGBERN Cc1c(OC(=O)c2cn(C)nc2-c2ccco2)cccc1[N+](=O)[O-] ZINC001351046920 1391587263 /nfs/dbraw/zinc/58/72/63/1391587263.db2.gz CZGGDLPYBPEEPA-UHFFFAOYSA-N 0 0 327.296 3.116 10 5 EGBERN Cc1cc(C)c(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001351097500 1391596347 /nfs/dbraw/zinc/59/63/47/1391596347.db2.gz WLIGXZBDMUBPGR-UHFFFAOYSA-N 0 0 348.286 3.407 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCc2cc(C(C)C)ccc21 ZINC001351351414 1391630229 /nfs/dbraw/zinc/63/02/29/1391630229.db2.gz DXGXHZRVMPREEF-UHFFFAOYSA-N 0 0 342.399 3.203 10 5 EGBERN CS[C@@H]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351781816 1391689715 /nfs/dbraw/zinc/68/97/15/1391689715.db2.gz NKKSDZUUZJKBBN-JGVFFNPUSA-N 0 0 338.355 3.067 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCc2ccccc2O1 ZINC001351887099 1391710991 /nfs/dbraw/zinc/71/09/91/1391710991.db2.gz FGAOAFMFSHYZHQ-HNNXBMFYSA-N 0 0 334.278 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(c2ccccc2C)=NO1 ZINC001352635525 1391826888 /nfs/dbraw/zinc/82/68/88/1391826888.db2.gz YVGGUUXPSAQDMO-KRWDZBQOSA-N 0 0 339.351 3.343 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncoc1-c1ccon1 ZINC001352648351 1391828244 /nfs/dbraw/zinc/82/82/44/1391828244.db2.gz QFLUAXNKJYGNSS-UHFFFAOYSA-N 0 0 328.284 3.107 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C1CCC=CCC1 ZINC001352657232 1391829254 /nfs/dbraw/zinc/82/92/54/1391829254.db2.gz GLWPITYQGPTACE-UHFFFAOYSA-N 0 0 326.356 3.465 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001352702600 1391833957 /nfs/dbraw/zinc/83/39/57/1391833957.db2.gz GVSVNWGFHIKWKZ-NSHDSACASA-N 0 0 348.330 3.286 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC001352732894 1391837309 /nfs/dbraw/zinc/83/73/09/1391837309.db2.gz HJYQGHGZDDASNT-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN Cn1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC001352811277 1391852337 /nfs/dbraw/zinc/85/23/37/1391852337.db2.gz NXMBZJAGAMETEW-UHFFFAOYSA-N 0 0 336.351 3.075 10 5 EGBERN CCO[C@@H](C(=O)N1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001352810490 1391852457 /nfs/dbraw/zinc/85/24/57/1391852457.db2.gz IGNDCSWHBROXFS-QGZVFWFLSA-N 0 0 332.400 3.469 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1sccc1C(F)F ZINC001352883547 1391870429 /nfs/dbraw/zinc/87/04/29/1391870429.db2.gz OYYVTMZFFXOOBY-UHFFFAOYSA-N 0 0 342.323 3.403 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCOc1cccc(F)c1 ZINC001353120993 1391937645 /nfs/dbraw/zinc/93/76/45/1391937645.db2.gz TUZIJELNASXZJN-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN CCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cccc(F)c2)cc1 ZINC001353502990 1392025366 /nfs/dbraw/zinc/02/53/66/1392025366.db2.gz FSDOQXUEMKLILT-KURKYZTESA-N 0 0 342.370 3.259 10 5 EGBERN O=C(NCCC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001353719294 1392076172 /nfs/dbraw/zinc/07/61/72/1392076172.db2.gz NNLZDBYZSUPQJT-UHFFFAOYSA-N 0 0 342.399 3.481 10 5 EGBERN COc1cc(C(=O)N[C@H]2CSc3ccccc32)c([N+](=O)[O-])cc1F ZINC001354054130 1392118444 /nfs/dbraw/zinc/11/84/44/1392118444.db2.gz CABYXDUIEZVHGA-LBPRGKRZSA-N 0 0 348.355 3.319 10 5 EGBERN O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001354471484 1392146401 /nfs/dbraw/zinc/14/64/01/1392146401.db2.gz KKJRGTFHJKRBQR-FVQBIDKESA-N 0 0 348.761 3.350 10 5 EGBERN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001354579588 1392154031 /nfs/dbraw/zinc/15/40/31/1392154031.db2.gz DMWYNEBVIHXSBR-JTQLQIEISA-N 0 0 336.294 3.070 10 5 EGBERN C[C@H](NC(=O)c1ccc2c(c1)COC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC001354623117 1392156967 /nfs/dbraw/zinc/15/69/67/1392156967.db2.gz BAPPEZNPXJTHIP-JTQLQIEISA-N 0 0 341.323 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2C(N)=O)c1C ZINC001354718998 1392163811 /nfs/dbraw/zinc/16/38/11/1392163811.db2.gz OMKBMCVZVXOVFZ-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CCCO1 ZINC001355002948 1392184633 /nfs/dbraw/zinc/18/46/33/1392184633.db2.gz CMYALPKALTYGSX-KRWDZBQOSA-N 0 0 330.315 3.378 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001355160979 1392196653 /nfs/dbraw/zinc/19/66/53/1392196653.db2.gz GAGLNZQTFHWVSH-DODZYUBVSA-N 0 0 344.411 3.116 10 5 EGBERN CC/C=C(/C)C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161186 1393138585 /nfs/dbraw/zinc/13/85/85/1393138585.db2.gz CWRNTWDPLCVPNA-NSIKDUERSA-N 0 0 331.416 3.032 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C2(F)CCCCC2)c1 ZINC001690129591 1404323388 /nfs/dbraw/zinc/32/33/88/1404323388.db2.gz DENAOQOWOPFKRV-UHFFFAOYSA-N 0 0 337.395 3.128 10 5 EGBERN CN(CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001690990215 1404907746 /nfs/dbraw/zinc/90/77/46/1404907746.db2.gz VSUIHIZQERVVSY-UHFFFAOYSA-N 0 0 347.802 3.110 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1[C@@H]1C[C@H]1C ZINC001693472331 1406018702 /nfs/dbraw/zinc/01/87/02/1406018702.db2.gz UQQHNRBWMXJWIH-BDJLRTHQSA-N 0 0 327.388 3.245 10 5 EGBERN CCC(=CC(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1)CC ZINC001732579473 1428784021 /nfs/dbraw/zinc/78/40/21/1428784021.db2.gz KDUMVGOZXBIVAF-UHFFFAOYSA-N 0 0 333.432 3.231 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@@H]1C)C1CC1 ZINC001709937273 1417457260 /nfs/dbraw/zinc/45/72/60/1417457260.db2.gz KJKRRSSSVGNOSP-JSGCOSHPSA-N 0 0 341.415 3.498 10 5 EGBERN CC1(CC(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001713830572 1418629677 /nfs/dbraw/zinc/62/96/77/1418629677.db2.gz POVHIPZJZLLJCN-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CCCC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001713913912 1418709893 /nfs/dbraw/zinc/70/98/93/1418709893.db2.gz KYEXOSBKWWYFKZ-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CCCN(CCNC(=O)C1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001714650919 1419428340 /nfs/dbraw/zinc/42/83/40/1419428340.db2.gz KHSXXSBMVNUOJW-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCSC(C)C ZINC001742755197 1439522681 /nfs/dbraw/zinc/52/26/81/1439522681.db2.gz YWMAECJVBZSYJX-UHFFFAOYSA-N 0 0 349.460 3.273 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001752221393 1440156501 /nfs/dbraw/zinc/15/65/01/1440156501.db2.gz YHYWLGCSBZSCEY-VNHYZAJKSA-N 0 0 341.415 3.356 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1 ZINC001764377343 1441389387 /nfs/dbraw/zinc/38/93/87/1441389387.db2.gz ASFCOEGATRAULO-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN Cc1nn(C)c(NCCc2nc(-c3ccccc3)oc2C)c1[N+](=O)[O-] ZINC000369189486 168413239 /nfs/dbraw/zinc/41/32/39/168413239.db2.gz WFRZDEQSQGMEJJ-UHFFFAOYSA-N 0 0 341.371 3.255 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000174237015 529596470 /nfs/dbraw/zinc/59/64/70/529596470.db2.gz GWDNWJJOHCLRLX-HNNXBMFYSA-N 0 0 328.372 3.248 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000065590069 214969295 /nfs/dbraw/zinc/96/92/95/214969295.db2.gz FGSKLYUWFQNZIC-GFCCVEGCSA-N 0 0 327.388 3.465 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000044821782 213648853 /nfs/dbraw/zinc/64/88/53/213648853.db2.gz FFTGBMJGZLBWTR-UHFFFAOYSA-N 0 0 330.300 3.229 10 5 EGBERN COc1cccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)c1OC ZINC000003319616 210005696 /nfs/dbraw/zinc/00/56/96/210005696.db2.gz FWRMOYLGJGPCGL-MDZDMXLPSA-N 0 0 343.335 3.369 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000103054529 219249963 /nfs/dbraw/zinc/24/99/63/219249963.db2.gz LSNAKXUMDWMLJO-LSDHHAIUSA-N 0 0 336.436 3.129 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)n1cc(C(F)(F)F)ccc1=O ZINC000003170343 209972164 /nfs/dbraw/zinc/97/21/64/209972164.db2.gz GEESADKFCALIKZ-UHFFFAOYSA-N 0 0 346.648 3.117 10 5 EGBERN Cc1noc(C)c1CNC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067758921 215206670 /nfs/dbraw/zinc/20/66/70/215206670.db2.gz QFIYZNDMWGGIKW-LLVKDONJSA-N 0 0 332.360 3.102 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1N1CCc2ccccc21 ZINC000040586133 213355001 /nfs/dbraw/zinc/35/50/01/213355001.db2.gz GJIMDPZSIVIEKL-UHFFFAOYSA-N 0 0 337.339 3.284 10 5 EGBERN COc1cc(OC)c(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1Cl ZINC000040571493 213352404 /nfs/dbraw/zinc/35/24/04/213352404.db2.gz LPSWEEAQIDLYBC-UHFFFAOYSA-N 0 0 345.142 3.452 10 5 EGBERN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000372011085 168686658 /nfs/dbraw/zinc/68/66/58/168686658.db2.gz AEAZTXYKCMNQQO-QGZVFWFLSA-N 0 0 341.367 3.366 10 5 EGBERN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Oc1ccccc1 ZINC000039994047 213248696 /nfs/dbraw/zinc/24/86/96/213248696.db2.gz VSVQLZVQVARKIC-VOTSOKGWSA-N 0 0 327.292 3.080 10 5 EGBERN Nc1nc2c(s1)CN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000364896795 283272990 /nfs/dbraw/zinc/27/29/90/283272990.db2.gz JRTHFLGKPAIHNE-UHFFFAOYSA-N 0 0 345.211 3.333 10 5 EGBERN NC(=O)c1ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000110601024 283379334 /nfs/dbraw/zinc/37/93/34/283379334.db2.gz RWXHOUMWPZNOHG-CYBMUJFWSA-N 0 0 345.786 3.341 10 5 EGBERN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccc(F)cc1 ZINC000000381308 209561502 /nfs/dbraw/zinc/56/15/02/209561502.db2.gz DTGCBYKEAGHMTJ-UHFFFAOYSA-N 0 0 328.255 3.093 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Br)s1 ZINC000037437024 213146562 /nfs/dbraw/zinc/14/65/62/213146562.db2.gz BNKPGEOYTZUPLY-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN O=C(Cc1cccc(O)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129534051 223066408 /nfs/dbraw/zinc/06/64/08/223066408.db2.gz TUGWHYVZKGJILO-UHFFFAOYSA-N 0 0 326.352 3.034 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000352218613 291270201 /nfs/dbraw/zinc/27/02/01/291270201.db2.gz YDJNNHSZACUZRZ-WPRPVWTQSA-N 0 0 341.289 3.489 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000074235300 216468061 /nfs/dbraw/zinc/46/80/61/216468061.db2.gz XTHUCVQSEUPJMP-DGCLKSJQSA-N 0 0 349.387 3.227 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000023512253 212381388 /nfs/dbraw/zinc/38/13/88/212381388.db2.gz CJDNDFWOILFMRI-CHWSQXEVSA-N 0 0 344.367 3.248 10 5 EGBERN CCC[C@@]1(COC)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000193753064 240297456 /nfs/dbraw/zinc/29/74/56/240297456.db2.gz AOKDLYDQOKJEJG-SFHVURJKSA-N 0 0 345.399 3.497 10 5 EGBERN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000021794915 212250785 /nfs/dbraw/zinc/25/07/85/212250785.db2.gz LAKPACDBNVTCFS-SNVBAGLBSA-N 0 0 340.339 3.484 10 5 EGBERN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000021794909 212250532 /nfs/dbraw/zinc/25/05/32/212250532.db2.gz SOUXKARFBJMZDJ-SNVBAGLBSA-N 0 0 340.339 3.484 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000120484152 284063026 /nfs/dbraw/zinc/06/30/26/284063026.db2.gz WOTWOGLDAQOVMD-MRXNPFEDSA-N 0 0 326.352 3.262 10 5 EGBERN CCN(c1ccccc1)S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000015935598 211870657 /nfs/dbraw/zinc/87/06/57/211870657.db2.gz HAUBECJOHMSCGU-UHFFFAOYSA-N 0 0 345.380 3.291 10 5 EGBERN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000089512318 217807764 /nfs/dbraw/zinc/80/77/64/217807764.db2.gz BPAXYUQDXQTOOH-LBPRGKRZSA-N 0 0 343.383 3.413 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000265970334 247982308 /nfs/dbraw/zinc/98/23/08/247982308.db2.gz AZJYOINMYVYIOM-UHFFFAOYSA-N 0 0 327.384 3.068 10 5 EGBERN COc1cc(OC)c(CNc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000266160625 248138929 /nfs/dbraw/zinc/13/89/29/248138929.db2.gz WRAPSSCTTZVUKF-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000378388546 169112739 /nfs/dbraw/zinc/11/27/39/169112739.db2.gz IVUCBJNPCBAKAK-RDJZCZTQSA-N 0 0 326.352 3.102 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378399692 169114508 /nfs/dbraw/zinc/11/45/08/169114508.db2.gz SAJYTCSDXFJFNP-APWZRJJASA-N 0 0 340.379 3.031 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012729215 211440203 /nfs/dbraw/zinc/44/02/03/211440203.db2.gz NXJGGJBKUPXOQU-NWDGAFQWSA-N 0 0 330.306 3.375 10 5 EGBERN O=C(NC1CC1)[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000011521224 211220747 /nfs/dbraw/zinc/22/07/47/211220747.db2.gz IZXUAAMCUZCDMB-INIZCTEOSA-N 0 0 348.305 3.272 10 5 EGBERN Cc1ccc(OCC(=O)Nc2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC000009714062 211117590 /nfs/dbraw/zinc/11/75/90/211117590.db2.gz XUFVXEKWVAARFE-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095347311 218282491 /nfs/dbraw/zinc/28/24/91/218282491.db2.gz IYCWFEGMSNJANP-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(c3ccccn3)CC2)nc2sccn21 ZINC000372230501 285077997 /nfs/dbraw/zinc/07/79/97/285077997.db2.gz DIGNENGPEXMOIE-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN CCOc1cccc(N2CCO[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000097108537 218958475 /nfs/dbraw/zinc/95/84/75/218958475.db2.gz OMSRLPFPLSAZFF-CYBMUJFWSA-N 0 0 335.385 3.028 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000153686882 224141537 /nfs/dbraw/zinc/14/15/37/224141537.db2.gz FTPCCQKGDOAYMS-ZDUSSCGKSA-N 0 0 339.804 3.278 10 5 EGBERN COCC[C@@H]1CCCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000377256916 285144953 /nfs/dbraw/zinc/14/49/53/285144953.db2.gz MVFYQZARMJRHFR-LBPRGKRZSA-N 0 0 326.368 3.386 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCn3c(cc4cc(Cl)ccc43)C2)nc1 ZINC000369598248 285179056 /nfs/dbraw/zinc/17/90/56/285179056.db2.gz WYCYMALAAXHRKX-UHFFFAOYSA-N 0 0 329.747 3.013 10 5 EGBERN CO[C@H](C)c1nc(CNc2ncc(Cl)cc2[N+](=O)[O-])cs1 ZINC000269382686 255573053 /nfs/dbraw/zinc/57/30/53/255573053.db2.gz PWXZCCJZOBJJAQ-SSDOTTSWSA-N 0 0 328.781 3.419 10 5 EGBERN Cc1cc(NC(=O)c2cnc(C)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000161817989 140975525 /nfs/dbraw/zinc/97/55/25/140975525.db2.gz KIOOZODENWPFPA-UHFFFAOYSA-N 0 0 337.339 3.111 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338018357 141074929 /nfs/dbraw/zinc/07/49/29/141074929.db2.gz NRURRPHKRIJKKP-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000338038720 141078085 /nfs/dbraw/zinc/07/80/85/141078085.db2.gz LFORTICOANIVII-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338095005 141093271 /nfs/dbraw/zinc/09/32/71/141093271.db2.gz OAJJMBNFKXYJQF-HNNXBMFYSA-N 0 0 344.342 3.089 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000346281511 141190421 /nfs/dbraw/zinc/19/04/21/141190421.db2.gz VLWXLJVRRHTHKG-HUTHGQBESA-N 0 0 348.305 3.054 10 5 EGBERN Cc1nc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1[N+](=O)[O-] ZINC000346623245 141206420 /nfs/dbraw/zinc/20/64/20/141206420.db2.gz RSWJXDGBTVLCLI-OAHLLOKOSA-N 0 0 341.367 3.445 10 5 EGBERN C[C@H](C(=O)N[C@@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347995402 141230483 /nfs/dbraw/zinc/23/04/83/141230483.db2.gz ILYMJZYYLMHGGM-APPDUMDISA-N 0 0 343.358 3.500 10 5 EGBERN CCc1nc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000353333752 141289518 /nfs/dbraw/zinc/28/95/18/141289518.db2.gz SSTAASIGLBOWQE-UHFFFAOYSA-N 0 0 331.372 3.206 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000356326367 141341557 /nfs/dbraw/zinc/34/15/57/141341557.db2.gz NYNGZZYJULYNJI-GOSISDBHSA-N 0 0 327.384 3.308 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)o1 ZINC000359621148 141388403 /nfs/dbraw/zinc/38/84/03/141388403.db2.gz XHOJLNJMYJPECR-SNVBAGLBSA-N 0 0 342.355 3.124 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 ZINC000043165203 142558968 /nfs/dbraw/zinc/55/89/68/142558968.db2.gz GIDDFEWVMOSCEX-HNNXBMFYSA-N 0 0 341.367 3.260 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)n1 ZINC000173417147 144041571 /nfs/dbraw/zinc/04/15/71/144041571.db2.gz UYWFIANPIHVJRI-JTQLQIEISA-N 0 0 337.426 3.441 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000173445551 144042250 /nfs/dbraw/zinc/04/22/50/144042250.db2.gz FFDNQKCEQDGJEN-AWEZNQCLSA-N 0 0 344.371 3.007 10 5 EGBERN Cc1c(C(=O)NCc2ncc(-c3ccccc3)cn2)cccc1[N+](=O)[O-] ZINC000183891046 144081207 /nfs/dbraw/zinc/08/12/07/144081207.db2.gz LETSLNMMOBPUDB-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1cc(NC(=O)[C@H]2C[C@H]2C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184923455 144100678 /nfs/dbraw/zinc/10/06/78/144100678.db2.gz UGCZTBKJPUFJJB-GJZGRUSLSA-N 0 0 328.372 3.320 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(CC2)c2ccccc21 ZINC000185302395 144110625 /nfs/dbraw/zinc/11/06/25/144110625.db2.gz WWNLOFFMOXWMBZ-ZDUSSCGKSA-N 0 0 337.379 3.474 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCc3c(ncn3-c3ccccc3)C2)cs1 ZINC000351028958 144253157 /nfs/dbraw/zinc/25/31/57/144253157.db2.gz PTRXMYZTIFLTTQ-UHFFFAOYSA-N 0 0 340.408 3.400 10 5 EGBERN Cc1ccc(C)c([C@@H](C)N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000351769915 144304245 /nfs/dbraw/zinc/30/42/45/144304245.db2.gz ZZLGIXDIDVHVLX-CQSZACIVSA-N 0 0 330.388 3.018 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000364095193 144391955 /nfs/dbraw/zinc/39/19/55/144391955.db2.gz BEULRHNWQQOSFR-NSHDSACASA-N 0 0 336.373 3.105 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374820038 144558038 /nfs/dbraw/zinc/55/80/38/144558038.db2.gz BFRACUDXHGPQMU-KRWDZBQOSA-N 0 0 347.321 3.027 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000375147390 144574291 /nfs/dbraw/zinc/57/42/91/144574291.db2.gz CIZMOTFWBWERQG-CYBMUJFWSA-N 0 0 338.379 3.321 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000341112634 155166401 /nfs/dbraw/zinc/16/64/01/155166401.db2.gz WVPAVCWQTMLSME-DOMZBBRYSA-N 0 0 344.371 3.499 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1CC1CCC1 ZINC000341335193 155238724 /nfs/dbraw/zinc/23/87/24/155238724.db2.gz DCMQKBYOIHWXQA-CYBMUJFWSA-N 0 0 338.791 3.279 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1CC1CCC1 ZINC000341337361 155238943 /nfs/dbraw/zinc/23/89/43/155238943.db2.gz JXJVPAHKGKDEGZ-ZDUSSCGKSA-N 0 0 338.791 3.279 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569623 152020316 /nfs/dbraw/zinc/02/03/16/152020316.db2.gz JYZBUNAKHCQXDN-OAHLLOKOSA-N 0 0 345.424 3.284 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000116688741 152074074 /nfs/dbraw/zinc/07/40/74/152074074.db2.gz BUNWAXLUQTVJMS-DEOSSOPVSA-N 0 0 346.408 3.342 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587905 152104919 /nfs/dbraw/zinc/10/49/19/152104919.db2.gz VTYOHPFMTQIPSN-CQSZACIVSA-N 0 0 338.363 3.440 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000118261678 152133069 /nfs/dbraw/zinc/13/30/69/152133069.db2.gz AJHKTOMEPMFQBB-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CCc1sc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1C ZINC000157788435 152712760 /nfs/dbraw/zinc/71/27/60/152712760.db2.gz AOCFYVZXIPXWLZ-SECBINFHSA-N 0 0 334.401 3.194 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)C1CCCC1 ZINC000177529407 152965999 /nfs/dbraw/zinc/96/59/99/152965999.db2.gz SIKNNGNFMVGUDZ-UHFFFAOYSA-N 0 0 331.294 3.245 10 5 EGBERN CC(C)c1nnc2n1CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]2C ZINC000188445527 153016293 /nfs/dbraw/zinc/01/62/93/153016293.db2.gz MVDUMEOWGBEIKB-OWNNVSBGSA-N 0 0 341.415 3.400 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000190459582 153142864 /nfs/dbraw/zinc/14/28/64/153142864.db2.gz YBMMHHKJOFYWAB-UHFFFAOYSA-N 0 0 346.408 3.092 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccnc1-n1cncn1 ZINC000193342067 153286956 /nfs/dbraw/zinc/28/69/56/153286956.db2.gz STXGCXUDROLYIW-UHFFFAOYSA-N 0 0 344.762 3.144 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1csc2ccccc12 ZINC000195642668 153413928 /nfs/dbraw/zinc/41/39/28/153413928.db2.gz IUEBYHBNHRWUMQ-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccsc1 ZINC000337424643 154346923 /nfs/dbraw/zinc/34/69/23/154346923.db2.gz COGCULYQYBTILT-UHFFFAOYSA-N 0 0 334.397 3.472 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000338441670 154693368 /nfs/dbraw/zinc/69/33/68/154693368.db2.gz GOITXIRKRUSJOH-SNVBAGLBSA-N 0 0 347.343 3.212 10 5 EGBERN O=c1cc[nH]c2cc(CNc3nc4ccccc4cc3[N+](=O)[O-])ccc12 ZINC000339966480 155054343 /nfs/dbraw/zinc/05/43/43/155054343.db2.gz BXMYULDNLGKNID-UHFFFAOYSA-N 0 0 346.346 3.019 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000349048116 156332037 /nfs/dbraw/zinc/33/20/37/156332037.db2.gz NWVFDTCDSVPKMV-SFHVURJKSA-N 0 0 342.395 3.315 10 5 EGBERN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000349090338 156350761 /nfs/dbraw/zinc/35/07/61/156350761.db2.gz WCYLPGPZPSKEHQ-LBPRGKRZSA-N 0 0 347.802 3.496 10 5 EGBERN COc1ccc(C(=O)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000354470342 156541309 /nfs/dbraw/zinc/54/13/09/156541309.db2.gz AUNYHCXTYQNDCK-UHFFFAOYSA-N 0 0 348.742 3.103 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000362231210 157089349 /nfs/dbraw/zinc/08/93/49/157089349.db2.gz BTUYNXMFKKDLON-ZJUUUORDSA-N 0 0 348.325 3.004 10 5 EGBERN Cc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457703 162011403 /nfs/dbraw/zinc/01/14/03/162011403.db2.gz CGKOTYZDAARKCF-SFHVURJKSA-N 0 0 328.368 3.182 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000105849728 162059431 /nfs/dbraw/zinc/05/94/31/162059431.db2.gz GEFUMWXXOYFQIV-HNNXBMFYSA-N 0 0 346.362 3.062 10 5 EGBERN Cc1ccccc1-n1nccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000113138229 162202698 /nfs/dbraw/zinc/20/26/98/162202698.db2.gz JGUKRELEOMQXGD-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000113428647 162211013 /nfs/dbraw/zinc/21/10/13/162211013.db2.gz JUGMMGVJXRRQCS-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000114435718 162232483 /nfs/dbraw/zinc/23/24/83/162232483.db2.gz IFGPFCCPLHSMGG-SFHVURJKSA-N 0 0 330.384 3.323 10 5 EGBERN Cc1ncsc1-c1nc(COc2cccc(C)c2[N+](=O)[O-])no1 ZINC000131336353 162397927 /nfs/dbraw/zinc/39/79/27/162397927.db2.gz ZDNSWGQDCVIGPP-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2C)nc1C ZINC000133375900 162457930 /nfs/dbraw/zinc/45/79/30/162457930.db2.gz AVSDNKWXNJEWIS-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000134068956 162479355 /nfs/dbraw/zinc/47/93/55/162479355.db2.gz MNVZDBWVPVONQD-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1nn(Cc2ccc(Br)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000177460549 162634349 /nfs/dbraw/zinc/63/43/49/162634349.db2.gz VXNBIVBCXFUYMP-UHFFFAOYSA-N 0 0 328.141 3.358 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413296 163002468 /nfs/dbraw/zinc/00/24/68/163002468.db2.gz FZDBRPDBYOFNFV-KBMXLJTQSA-N 0 0 340.807 3.017 10 5 EGBERN C[C@H]1C[C@H](CSCCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000336975483 163096285 /nfs/dbraw/zinc/09/62/85/163096285.db2.gz VLRXJBHOFGOLKF-QWHCGFSZSA-N 0 0 338.429 3.472 10 5 EGBERN C[C@@H]1CC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000338650237 163305787 /nfs/dbraw/zinc/30/57/87/163305787.db2.gz FDDZDUQGAXFZKT-VXGBXAGGSA-N 0 0 345.399 3.400 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1cccnc1 ZINC000338877902 163371575 /nfs/dbraw/zinc/37/15/75/163371575.db2.gz QUWJYVGRJSIGIN-QGZVFWFLSA-N 0 0 336.351 3.448 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340399962 163570724 /nfs/dbraw/zinc/57/07/24/163570724.db2.gz GXIWPDJMTAEBCO-KRWDZBQOSA-N 0 0 325.368 3.433 10 5 EGBERN COc1cc(CNc2ccc3ccn(C)c(=O)c3c2)ccc1[N+](=O)[O-] ZINC000340607178 163621061 /nfs/dbraw/zinc/62/10/61/163621061.db2.gz GBWAWEYCSSKBNR-UHFFFAOYSA-N 0 0 339.351 3.067 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cnc2c(c1)CCCC2 ZINC000343797099 164036754 /nfs/dbraw/zinc/03/67/54/164036754.db2.gz LCVFOJHLOHHMJM-UHFFFAOYSA-N 0 0 347.321 3.328 10 5 EGBERN COc1cc(NCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000343907853 164063537 /nfs/dbraw/zinc/06/35/37/164063537.db2.gz PETMIQKXBKNECF-UHFFFAOYSA-N 0 0 328.340 3.276 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000344146920 164114236 /nfs/dbraw/zinc/11/42/36/164114236.db2.gz FKQLSKHIVCJVBR-LURJTMIESA-N 0 0 327.312 3.129 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344272021 164142727 /nfs/dbraw/zinc/14/27/27/164142727.db2.gz HLOUHXJTWMOISA-HNNXBMFYSA-N 0 0 330.315 3.214 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000344285993 164146655 /nfs/dbraw/zinc/14/66/55/164146655.db2.gz MLVITEKMSPVEKB-ABAIWWIYSA-N 0 0 346.412 3.162 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cccc(COC3CCOCC3)c2)cn1 ZINC000344416753 164174334 /nfs/dbraw/zinc/17/43/34/164174334.db2.gz JNCYSULBUQLARH-UHFFFAOYSA-N 0 0 343.383 3.298 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000345625235 164229992 /nfs/dbraw/zinc/22/99/92/164229992.db2.gz PKLFTPIBEYOOSW-UHFFFAOYSA-N 0 0 344.367 3.062 10 5 EGBERN CCOc1ccc(C(=O)NCCCC(C)(C)COC)cc1[N+](=O)[O-] ZINC000345702995 164248511 /nfs/dbraw/zinc/24/85/11/164248511.db2.gz BCKXSELSINPNDN-UHFFFAOYSA-N 0 0 338.404 3.176 10 5 EGBERN COCc1ccsc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345854819 164279680 /nfs/dbraw/zinc/27/96/80/164279680.db2.gz YACDDBNLOCNECQ-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN CN(CC(=O)Nc1cc(F)cc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000348137087 164645868 /nfs/dbraw/zinc/64/58/68/164645868.db2.gz CFWYNLXVVOHJBW-UHFFFAOYSA-N 0 0 339.273 3.087 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000348752731 164808056 /nfs/dbraw/zinc/80/80/56/164808056.db2.gz HFGOQMITEZVUBO-KRWDZBQOSA-N 0 0 325.368 3.222 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1ccsc1 ZINC000349827572 164954451 /nfs/dbraw/zinc/95/44/51/164954451.db2.gz JKHUZTNPHYPSAJ-LBPRGKRZSA-N 0 0 341.776 3.165 10 5 EGBERN Cc1csc(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)n1 ZINC000349915401 164972634 /nfs/dbraw/zinc/97/26/34/164972634.db2.gz OGDSYWHRHFHVEI-UHFFFAOYSA-N 0 0 341.776 3.339 10 5 EGBERN COC(=O)c1sc(C)cc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351901945 165143783 /nfs/dbraw/zinc/14/37/83/165143783.db2.gz IFIOTUHNBVOODT-UHFFFAOYSA-N 0 0 337.353 3.339 10 5 EGBERN CCc1ccc([C@H]2COCCN2Cc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000351934517 165156396 /nfs/dbraw/zinc/15/63/96/165156396.db2.gz CHMROVRNWQZUQB-MRXNPFEDSA-N 0 0 346.383 3.332 10 5 EGBERN COc1ccc(NC(C)=O)c(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352019387 165194866 /nfs/dbraw/zinc/19/48/66/165194866.db2.gz AXXCCFPOCBVEMT-UHFFFAOYSA-N 0 0 345.355 3.183 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1ccsc1 ZINC000352033227 165200897 /nfs/dbraw/zinc/20/08/97/165200897.db2.gz RJFXLAICEJBERF-OAHLLOKOSA-N 0 0 336.413 3.267 10 5 EGBERN COCc1ccsc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000355432053 166197515 /nfs/dbraw/zinc/19/75/15/166197515.db2.gz VINWLUSNUNDLEY-UHFFFAOYSA-N 0 0 332.341 3.102 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000355713018 166288415 /nfs/dbraw/zinc/28/84/15/166288415.db2.gz WSNDAGLJSWWSRC-UHFFFAOYSA-N 0 0 330.287 3.046 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000355763361 166300223 /nfs/dbraw/zinc/30/02/23/166300223.db2.gz VRDUAJSDOYOGQL-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000355890303 166339161 /nfs/dbraw/zinc/33/91/61/166339161.db2.gz GFQVLMSMYNDKET-UHFFFAOYSA-N 0 0 332.263 3.026 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000356463118 166423127 /nfs/dbraw/zinc/42/31/27/166423127.db2.gz XVXDSRJPGKBJIK-ZDUSSCGKSA-N 0 0 348.424 3.353 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnn3ncccc23)cc1[N+](=O)[O-] ZINC000356745515 166498110 /nfs/dbraw/zinc/49/81/10/166498110.db2.gz ZIBCPPOFUZAEDX-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN CCc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)oc1CC ZINC000357328985 166648229 /nfs/dbraw/zinc/64/82/29/166648229.db2.gz KSCDSTPJRSRAGT-UHFFFAOYSA-N 0 0 328.328 3.348 10 5 EGBERN COc1cc(CNc2ccccc2C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000357876780 166799970 /nfs/dbraw/zinc/79/99/70/166799970.db2.gz YJQZBKSCBJHCHD-QHCPKHFHSA-N 0 0 334.397 3.094 10 5 EGBERN CC(C)(C)c1ccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000358749102 166955960 /nfs/dbraw/zinc/95/59/60/166955960.db2.gz CXYZXHUAEXMDJQ-UHFFFAOYSA-N 0 0 342.399 3.041 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CC1CC1)CC1CC1 ZINC000358989484 167029785 /nfs/dbraw/zinc/02/97/85/167029785.db2.gz SRDVTOFBJWNPRR-UHFFFAOYSA-N 0 0 340.326 3.458 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359063892 167055433 /nfs/dbraw/zinc/05/54/33/167055433.db2.gz UJKVJXXKELFVGA-CQSZACIVSA-N 0 0 345.399 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000359081123 167061569 /nfs/dbraw/zinc/06/15/69/167061569.db2.gz ICWZHKCHYPDRQX-UHFFFAOYSA-N 0 0 337.383 3.429 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(-c3ccco3)n2C)n1 ZINC000359084990 167062958 /nfs/dbraw/zinc/06/29/58/167062958.db2.gz SGXHXQCTEHIFAT-UHFFFAOYSA-N 0 0 331.357 3.146 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2ccn(-c3ccccc3)n2)n1 ZINC000359112066 167069939 /nfs/dbraw/zinc/06/99/39/167069939.db2.gz XJRPXDFWMSRIEZ-UHFFFAOYSA-N 0 0 337.383 3.447 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000359152534 167082241 /nfs/dbraw/zinc/08/22/41/167082241.db2.gz IVRWZNXVEKOQJZ-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359167281 167086736 /nfs/dbraw/zinc/08/67/36/167086736.db2.gz YXQCQQBTFBPZFB-KSSFIOAISA-N 0 0 332.400 3.402 10 5 EGBERN O=C(Nc1ccc(F)cc1O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359369307 167138744 /nfs/dbraw/zinc/13/87/44/167138744.db2.gz VHYIQJYXSKBPRS-UHFFFAOYSA-N 0 0 342.229 3.293 10 5 EGBERN CCc1noc(C)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359377412 167141171 /nfs/dbraw/zinc/14/11/71/167141171.db2.gz XOVCKNSSDFNUGQ-UHFFFAOYSA-N 0 0 341.270 3.307 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1Cc2ccccc2S1 ZINC000359398032 167145831 /nfs/dbraw/zinc/14/58/31/167145831.db2.gz DPZIGZYTNRLTQB-MRXNPFEDSA-N 0 0 328.393 3.270 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1[N+](=O)[O-] ZINC000359502826 167173838 /nfs/dbraw/zinc/17/38/38/167173838.db2.gz LWJYDOWKJDEVOB-UHFFFAOYSA-N 0 0 344.367 3.171 10 5 EGBERN Cc1cnc(CCN(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000359554171 167190207 /nfs/dbraw/zinc/19/02/07/167190207.db2.gz VVSOHUVTXNFYOI-UHFFFAOYSA-N 0 0 348.428 3.052 10 5 EGBERN NC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000360223079 167276182 /nfs/dbraw/zinc/27/61/82/167276182.db2.gz XUGLEAACMMLLSE-AWEZNQCLSA-N 0 0 345.786 3.227 10 5 EGBERN CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000360524992 167348893 /nfs/dbraw/zinc/34/88/93/167348893.db2.gz LTOSOTXDHZAIEA-AWEZNQCLSA-N 0 0 331.372 3.318 10 5 EGBERN Cc1c(CNC(=O)C2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000360529124 167350538 /nfs/dbraw/zinc/35/05/38/167350538.db2.gz OXSDWWOIVAQHGQ-UHFFFAOYSA-N 0 0 328.343 3.390 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000360643898 167377572 /nfs/dbraw/zinc/37/75/72/167377572.db2.gz UWZRHWUCHXHZBF-CYBMUJFWSA-N 0 0 331.397 3.096 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000360961571 167464419 /nfs/dbraw/zinc/46/44/19/167464419.db2.gz SDQWJTHEZVHWKC-IUODEOHRSA-N 0 0 330.388 3.086 10 5 EGBERN CNc1c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000361175791 167545794 /nfs/dbraw/zinc/54/57/94/167545794.db2.gz GWKHKZQKRNBAEU-KBPBESRZSA-N 0 0 329.331 3.062 10 5 EGBERN CCOC(=O)c1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000362658186 167817970 /nfs/dbraw/zinc/81/79/70/167817970.db2.gz PVZUWQZGXSXQDC-UHFFFAOYSA-N 0 0 345.789 3.428 10 5 EGBERN Cc1ccc(-n2cnc3c2CCN(c2ccc([N+](=O)[O-])nc2)C3)cc1 ZINC000362953140 167867784 /nfs/dbraw/zinc/86/77/84/167867784.db2.gz XSDKZJNZWURQOH-UHFFFAOYSA-N 0 0 335.367 3.047 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000363745821 167922442 /nfs/dbraw/zinc/92/24/42/167922442.db2.gz QDTRLCJDUJKIKG-LJQANCHMSA-N 0 0 338.363 3.257 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000366855246 168148459 /nfs/dbraw/zinc/14/84/59/168148459.db2.gz UWHXGTHIBIQPST-DLBZAZTESA-N 0 0 348.362 3.066 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367164724 168187792 /nfs/dbraw/zinc/18/77/92/168187792.db2.gz KFPDZWAFALCVBH-SFHVURJKSA-N 0 0 330.359 3.264 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000367561764 168242253 /nfs/dbraw/zinc/24/22/53/168242253.db2.gz CKCYHKKZAYGOKO-YOEHRIQHSA-N 0 0 326.352 3.102 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1nnc(C2CC2)n1C1CC1 ZINC000160325260 225388435 /nfs/dbraw/zinc/38/84/35/225388435.db2.gz LTIVMDAZAIBULQ-UHFFFAOYSA-N 0 0 334.767 3.059 10 5 EGBERN C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124037048 222367084 /nfs/dbraw/zinc/36/70/84/222367084.db2.gz WDINOYMDFFCWJW-VXGBXAGGSA-N 0 0 326.418 3.237 10 5 EGBERN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174333885 265043590 /nfs/dbraw/zinc/04/35/90/265043590.db2.gz STNZDLVTLUSIOO-LLVKDONJSA-N 0 0 349.337 3.205 10 5 EGBERN CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882087 265078055 /nfs/dbraw/zinc/07/80/55/265078055.db2.gz QWDINPDSTTZLMJ-BBRMVZONSA-N 0 0 332.404 3.420 10 5 EGBERN CCC(CC)CS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175113759 265093432 /nfs/dbraw/zinc/09/34/32/265093432.db2.gz VSPBCOATLFZVCX-OAHLLOKOSA-N 0 0 328.434 3.402 10 5 EGBERN CC1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000175107530 265093938 /nfs/dbraw/zinc/09/39/38/265093938.db2.gz VNMYBDONUNQHRR-UHFFFAOYSA-N 0 0 331.416 3.118 10 5 EGBERN C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000175169541 265098014 /nfs/dbraw/zinc/09/80/14/265098014.db2.gz IJEZLBPHOFHQGU-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN CC[C@@H](NC(=O)Nc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000175185810 265100029 /nfs/dbraw/zinc/10/00/29/265100029.db2.gz RIRJJOBFFDMPRB-CYBMUJFWSA-N 0 0 330.344 3.271 10 5 EGBERN CC(C)[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000176308583 265168011 /nfs/dbraw/zinc/16/80/11/265168011.db2.gz MJFGDTXFNLJKFL-SNVBAGLBSA-N 0 0 343.221 3.308 10 5 EGBERN CC[C@@H](NC(=O)Cc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000177797068 265278111 /nfs/dbraw/zinc/27/81/11/265278111.db2.gz IDJNEYSYZMCPAF-MRXNPFEDSA-N 0 0 338.367 3.053 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000182317361 265423058 /nfs/dbraw/zinc/42/30/58/265423058.db2.gz DJWHJHXCUPDONN-GHMZBOCLSA-N 0 0 340.326 3.458 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189187319 265743453 /nfs/dbraw/zinc/74/34/53/265743453.db2.gz HZVLHNMGVJIPCL-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC(C)(C)C)n1 ZINC000191618594 265921539 /nfs/dbraw/zinc/92/15/39/265921539.db2.gz XZQWMNLUJJOVFW-UHFFFAOYSA-N 0 0 332.360 3.241 10 5 EGBERN CCc1ccc(C(C)(C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191660871 265924327 /nfs/dbraw/zinc/92/43/27/265924327.db2.gz KVNVKVSMVHWTLR-UHFFFAOYSA-N 0 0 330.388 3.039 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)n1 ZINC000191718237 265926784 /nfs/dbraw/zinc/92/67/84/265926784.db2.gz XKWBNGXDSVNJFN-OAHLLOKOSA-N 0 0 342.399 3.352 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000194783726 266146032 /nfs/dbraw/zinc/14/60/32/266146032.db2.gz VVXPYJYXHZQPSM-LSDHHAIUSA-N 0 0 344.342 3.419 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268478519 266283486 /nfs/dbraw/zinc/28/34/86/266283486.db2.gz ZQUSUGKMWCKQJP-QMTHXVAHSA-N 0 0 334.397 3.207 10 5 EGBERN Cc1ccc(Nc2ccc(CCS(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000269920038 266381712 /nfs/dbraw/zinc/38/17/12/266381712.db2.gz KPOFNRJSEOVLRP-UHFFFAOYSA-N 0 0 334.397 3.234 10 5 EGBERN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271355222 266646346 /nfs/dbraw/zinc/64/63/46/266646346.db2.gz FNTZUYDJNOHIRE-ZDUSSCGKSA-N 0 0 342.399 3.332 10 5 EGBERN CC[C@@H](C)Oc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000273915248 267141323 /nfs/dbraw/zinc/14/13/23/267141323.db2.gz QGJNFVGICBARAZ-SNVBAGLBSA-N 0 0 343.343 3.223 10 5 EGBERN CC(C)OCCCc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000273920185 267142614 /nfs/dbraw/zinc/14/26/14/267142614.db2.gz PMCQCKFQDDCGKX-UHFFFAOYSA-N 0 0 330.344 3.484 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000274324717 267218234 /nfs/dbraw/zinc/21/82/34/267218234.db2.gz ZPZQSXZFPKPQSB-BBRMVZONSA-N 0 0 349.431 3.472 10 5 EGBERN Cc1cc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)ncc1[N+](=O)[O-] ZINC000275386569 267353163 /nfs/dbraw/zinc/35/31/63/267353163.db2.gz AIHWKGZAPREKKV-OAHLLOKOSA-N 0 0 341.415 3.252 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000278416431 268008596 /nfs/dbraw/zinc/00/85/96/268008596.db2.gz BTXRWEPHRJXTCK-NSHDSACASA-N 0 0 334.763 3.087 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NC1CCN(CC(F)(F)F)CC1)CCN2 ZINC000278456624 268017086 /nfs/dbraw/zinc/01/70/86/268017086.db2.gz SHWUKYKCBPXSOK-UHFFFAOYSA-N 0 0 344.337 3.001 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108243945 275174540 /nfs/dbraw/zinc/17/45/40/275174540.db2.gz NGMPFTBTRSBRLV-UHFFFAOYSA-N 0 0 330.388 3.478 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110566111 275181071 /nfs/dbraw/zinc/18/10/71/275181071.db2.gz DWEXELJLIBFWMZ-BFUOFWGJSA-N 0 0 340.379 3.413 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CCCCC1 ZINC000184977859 275214311 /nfs/dbraw/zinc/21/43/11/275214311.db2.gz SGWGFDSPGRFWOL-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C1Cc2ccccc2C1 ZINC000279231631 275314705 /nfs/dbraw/zinc/31/47/05/275314705.db2.gz DUXCPKVSXOZIOE-UHFFFAOYSA-N 0 0 340.379 3.233 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCc1ncnn1C(C)C ZINC000279266863 275317669 /nfs/dbraw/zinc/31/76/69/275317669.db2.gz UWAMCKDIAOSECB-UHFFFAOYSA-N 0 0 338.751 3.086 10 5 EGBERN CCC(=O)c1ccc(NC2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000279950866 275380759 /nfs/dbraw/zinc/38/07/59/275380759.db2.gz BFPXKZHOOSFRFY-UHFFFAOYSA-N 0 0 347.415 3.246 10 5 EGBERN CC(C)n1ncnc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000280942296 275508534 /nfs/dbraw/zinc/50/85/34/275508534.db2.gz ISNSAGWUUZEBLJ-UHFFFAOYSA-N 0 0 340.181 3.142 10 5 EGBERN CCOCC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000281788020 275576167 /nfs/dbraw/zinc/57/61/67/275576167.db2.gz JREURKYVOSJYQO-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282912577 275682325 /nfs/dbraw/zinc/68/23/25/275682325.db2.gz VLSNWQYERAZJGO-ABAIWWIYSA-N 0 0 340.807 3.228 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1CC(F)F ZINC000285824370 275917159 /nfs/dbraw/zinc/91/71/59/275917159.db2.gz VRJDJSOEBVNHAM-VIFPVBQESA-N 0 0 349.721 3.136 10 5 EGBERN COc1cc(N2CCC3(C2)Oc2ccccc2O3)c(F)cc1[N+](=O)[O-] ZINC000288842127 276259257 /nfs/dbraw/zinc/25/92/57/276259257.db2.gz JCHPBETWJCDIIA-UHFFFAOYSA-N 0 0 346.314 3.120 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1C ZINC000289580088 276361036 /nfs/dbraw/zinc/36/10/36/276361036.db2.gz HGXOWNIRWZUSMP-JOYOIKCWSA-N 0 0 327.768 3.137 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289616415 276366939 /nfs/dbraw/zinc/36/69/39/276366939.db2.gz JMIYYADAUKCAEC-VIFPVBQESA-N 0 0 343.767 3.102 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000291209601 276607455 /nfs/dbraw/zinc/60/74/55/276607455.db2.gz RAPADPCJFROTJD-UHFFFAOYSA-N 0 0 326.356 3.133 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000345190175 277424501 /nfs/dbraw/zinc/42/45/01/277424501.db2.gz UJMQXWMTDPAIET-JTQLQIEISA-N 0 0 334.303 3.149 10 5 EGBERN CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000362249548 277531885 /nfs/dbraw/zinc/53/18/85/277531885.db2.gz IOWPDKPFYXRNKS-LLVKDONJSA-N 0 0 346.305 3.253 10 5 EGBERN CC(C)c1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709319 278036066 /nfs/dbraw/zinc/03/60/66/278036066.db2.gz YEFBKIPGNRWEOU-SFHVURJKSA-N 0 0 334.416 3.100 10 5 EGBERN C[C@H]1CC2(CCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000365440245 278327719 /nfs/dbraw/zinc/32/77/19/278327719.db2.gz ASFBVOLPRUXIAB-LBPRGKRZSA-N 0 0 329.400 3.256 10 5 EGBERN CC1(C2CC2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000357541909 278454195 /nfs/dbraw/zinc/45/41/95/278454195.db2.gz APKLWHANUXFPKX-UHFFFAOYSA-N 0 0 338.429 3.015 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000372983055 280258167 /nfs/dbraw/zinc/25/81/67/280258167.db2.gz OSQXNHPEWIDCDZ-JTQLQIEISA-N 0 0 333.344 3.216 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 ZINC000359092532 280399758 /nfs/dbraw/zinc/39/97/58/280399758.db2.gz FWYRFXMMDMBUEK-HIFRSBDPSA-N 0 0 340.383 3.213 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156743751 289784407 /nfs/dbraw/zinc/78/44/07/289784407.db2.gz KDIMGEMPQZVQIE-VUCTXSBTSA-N 0 0 327.384 3.393 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000265595315 290058840 /nfs/dbraw/zinc/05/88/40/290058840.db2.gz YTDYMZVQIBPUKK-HNNXBMFYSA-N 0 0 332.791 3.136 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000339189185 293609483 /nfs/dbraw/zinc/60/94/83/293609483.db2.gz LNMUMOUVMQUWRY-MRVPVSSYSA-N 0 0 332.385 3.132 10 5 EGBERN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000376003821 297076957 /nfs/dbraw/zinc/07/69/57/297076957.db2.gz OTIUHTBVUGXQSW-GLKRBJQHSA-N 0 0 342.342 3.036 10 5 EGBERN Nc1c(F)c(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000348722486 295346566 /nfs/dbraw/zinc/34/65/66/295346566.db2.gz VXQWURVVEQNCHV-NSHDSACASA-N 0 0 345.330 3.386 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000364678673 300049915 /nfs/dbraw/zinc/04/99/15/300049915.db2.gz YDGUXZSNVMFKOA-KPZWWZAWSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000249263628 300296043 /nfs/dbraw/zinc/29/60/43/300296043.db2.gz HPNVIXJNBLTOSB-GTNSWQLSSA-N 0 0 331.347 3.283 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000057995465 304807915 /nfs/dbraw/zinc/80/79/15/304807915.db2.gz YQDPHGHXFIPWCV-HNNXBMFYSA-N 0 0 327.388 3.254 10 5 EGBERN COC(=O)c1cccc(Oc2nc(CC(C)C)ns2)c1[N+](=O)[O-] ZINC000413559329 309037425 /nfs/dbraw/zinc/03/74/25/309037425.db2.gz VMDWUJRLTLBUDD-UHFFFAOYSA-N 0 0 337.357 3.224 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](CO)C2)nc1-c1ccccc1 ZINC000413599405 309039020 /nfs/dbraw/zinc/03/90/20/309039020.db2.gz BZOSPJKWVICYNQ-HIFRSBDPSA-N 0 0 327.384 3.042 10 5 EGBERN Cc1c(C(=O)Nc2nc3cc(Cl)ccc3n2C)cccc1[N+](=O)[O-] ZINC000063981652 307356433 /nfs/dbraw/zinc/35/64/33/307356433.db2.gz YSCCVFPQYREEJJ-UHFFFAOYSA-N 0 0 344.758 3.118 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000089835662 307453644 /nfs/dbraw/zinc/45/36/44/307453644.db2.gz KACUYIPGUGTIGM-GDBMZVCRSA-N 0 0 346.333 3.335 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nc(C3CCCC3)no2)c1 ZINC000119152520 307491445 /nfs/dbraw/zinc/49/14/45/307491445.db2.gz DBYUYJPMLWLRTE-UHFFFAOYSA-N 0 0 347.327 3.001 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(F)c1F ZINC000123297123 307537683 /nfs/dbraw/zinc/53/76/83/307537683.db2.gz KTWLJUGDINRFKS-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414030952 309057002 /nfs/dbraw/zinc/05/70/02/309057002.db2.gz ASRVLNMVDLYXKV-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN Cc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000131623284 307646351 /nfs/dbraw/zinc/64/63/51/307646351.db2.gz GLQIJDJTDNNGFK-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN CCOCCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCCC1 ZINC000133552454 307674316 /nfs/dbraw/zinc/67/43/16/307674316.db2.gz HHNBIYUCXWDQPS-UHFFFAOYSA-N 0 0 335.404 3.015 10 5 EGBERN O=C(NC/C=C/c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134674476 307691985 /nfs/dbraw/zinc/69/19/85/307691985.db2.gz NVONHTCSGJLIQW-RMKNXTFCSA-N 0 0 348.362 3.224 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000135150672 307698708 /nfs/dbraw/zinc/69/87/08/307698708.db2.gz LJNPFXWXNQFZNB-YVEFUNNKSA-N 0 0 341.367 3.451 10 5 EGBERN COc1ccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000151243972 307730335 /nfs/dbraw/zinc/73/03/35/307730335.db2.gz DJTGUQYBUMBTHP-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000153654539 307777862 /nfs/dbraw/zinc/77/78/62/307777862.db2.gz KXDHVGMPAXOJAA-INIZCTEOSA-N 0 0 344.415 3.145 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C ZINC000157308789 307844628 /nfs/dbraw/zinc/84/46/28/307844628.db2.gz MASPMSHNQCBVIX-LLVKDONJSA-N 0 0 340.445 3.498 10 5 EGBERN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCOCC1 ZINC000160359127 307888603 /nfs/dbraw/zinc/88/86/03/307888603.db2.gz WHKMXKZDQSWODT-CYBMUJFWSA-N 0 0 332.400 3.149 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCCOCc1ccc(Cl)cc1 ZINC000163123775 307919669 /nfs/dbraw/zinc/91/96/69/307919669.db2.gz QPPAJNMHMVVUTH-UHFFFAOYSA-N 0 0 348.786 3.124 10 5 EGBERN COCc1ccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000414417213 309078919 /nfs/dbraw/zinc/07/89/19/309078919.db2.gz QOPSNKFOJHLZQL-UHFFFAOYSA-N 0 0 349.408 3.165 10 5 EGBERN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1C2(F)F ZINC000292887182 308076623 /nfs/dbraw/zinc/07/66/23/308076623.db2.gz QBQPHBKEBKUDKZ-CJNGLKHVSA-N 0 0 347.321 3.260 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN[C@H](c2nccs2)C(F)(F)F)cc1 ZINC000292907255 308078724 /nfs/dbraw/zinc/07/87/24/308078724.db2.gz HAUWAAFAHMTNDD-LLVKDONJSA-N 0 0 347.318 3.323 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)[C@H]1C ZINC000294249601 308203659 /nfs/dbraw/zinc/20/36/59/308203659.db2.gz SMOYYYKGFFKSTE-KGLIPLIRSA-N 0 0 331.416 3.312 10 5 EGBERN CN(C)c1ccc(CCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294985982 308279192 /nfs/dbraw/zinc/27/91/92/308279192.db2.gz HGNDMWIZMGRZLS-UHFFFAOYSA-N 0 0 327.384 3.256 10 5 EGBERN O=C(c1cncc(Cl)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295483524 308331147 /nfs/dbraw/zinc/33/11/47/308331147.db2.gz PSQWWOYMIQXRNG-UHFFFAOYSA-N 0 0 331.759 3.448 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C2CC2)n1 ZINC000295728170 308354627 /nfs/dbraw/zinc/35/46/27/308354627.db2.gz ZXWHDRRAJKYYAV-UHFFFAOYSA-N 0 0 339.351 3.469 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297495123 308539729 /nfs/dbraw/zinc/53/97/29/308539729.db2.gz FTVRPROFHRSVTR-LBPRGKRZSA-N 0 0 341.367 3.437 10 5 EGBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000297616323 308550540 /nfs/dbraw/zinc/55/05/40/308550540.db2.gz BRBSFHUABOJUAM-NSHDSACASA-N 0 0 346.305 3.253 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000301144517 308689768 /nfs/dbraw/zinc/68/97/68/308689768.db2.gz IQLZILBVWOTAMV-OAHLLOKOSA-N 0 0 339.395 3.468 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301224840 308692300 /nfs/dbraw/zinc/69/23/00/308692300.db2.gz FDZGQOODIJPZAW-UHFFFAOYSA-N 0 0 325.340 3.155 10 5 EGBERN C[C@H](CCC1CCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301325530 308696401 /nfs/dbraw/zinc/69/64/01/308696401.db2.gz AMJULPKYVBMUBF-LLVKDONJSA-N 0 0 341.433 3.013 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(O)CCCc3ccccc32)c1 ZINC000301437561 308700168 /nfs/dbraw/zinc/70/01/68/308700168.db2.gz KPJAKURYTABSNZ-GOSISDBHSA-N 0 0 346.358 3.379 10 5 EGBERN COc1cc(N[C@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000301626593 308708037 /nfs/dbraw/zinc/70/80/37/308708037.db2.gz GWMMXXSSNBMLSU-SECBINFHSA-N 0 0 336.367 3.136 10 5 EGBERN COc1cc(N2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1F ZINC000301628121 308708052 /nfs/dbraw/zinc/70/80/52/308708052.db2.gz RGURUCUOXJGSMN-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000301630335 308708271 /nfs/dbraw/zinc/70/82/71/308708271.db2.gz IRSYYWULVAFQML-CQSZACIVSA-N 0 0 338.360 3.382 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2Cc3ccccc3O2)cc(C)c1[N+](=O)[O-] ZINC000301685084 308710712 /nfs/dbraw/zinc/71/07/12/308710712.db2.gz LCNYJMKBTGEWJG-AWEZNQCLSA-N 0 0 342.351 3.105 10 5 EGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000301731098 308712881 /nfs/dbraw/zinc/71/28/81/308712881.db2.gz DMRGXEUWDPKOSW-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN CO[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301754403 308713872 /nfs/dbraw/zinc/71/38/72/308713872.db2.gz CNKUQFCZPGZDNZ-WCBMZHEXSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000301823491 308716925 /nfs/dbraw/zinc/71/69/25/308716925.db2.gz HVFGALYFYLZXQC-MWLCHTKSSA-N 0 0 330.369 3.281 10 5 EGBERN Cc1cc(N(C)C)ccc1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301891163 308720326 /nfs/dbraw/zinc/72/03/26/308720326.db2.gz OCBJAYCFVMHDMT-UHFFFAOYSA-N 0 0 349.412 3.116 10 5 EGBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(OC(F)F)c1 ZINC000301917679 308721647 /nfs/dbraw/zinc/72/16/47/308721647.db2.gz JKDZGMVRGYAEIB-SECBINFHSA-N 0 0 349.297 3.412 10 5 EGBERN CN1C(=O)C[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000301932090 308722129 /nfs/dbraw/zinc/72/21/29/308722129.db2.gz PAZHGTINXVYCJZ-SWLSCSKDSA-N 0 0 346.774 3.027 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2nc(C)sc21 ZINC000302054769 308727332 /nfs/dbraw/zinc/72/73/32/308727332.db2.gz YXTUTZPTGRKSMX-AWEZNQCLSA-N 0 0 346.412 3.209 10 5 EGBERN CCOc1cccc(N2CCC(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000302127312 308729918 /nfs/dbraw/zinc/72/99/18/308729918.db2.gz AZWCGKJLDRXMFY-UHFFFAOYSA-N 0 0 344.415 3.186 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000302144092 308730669 /nfs/dbraw/zinc/73/06/69/308730669.db2.gz GFXBFUZSZJCFMA-CZUORRHYSA-N 0 0 336.388 3.245 10 5 EGBERN CCOc1cc(Nc2ccc(OCCO)c(C)c2)ccc1[N+](=O)[O-] ZINC000302165782 308731703 /nfs/dbraw/zinc/73/17/03/308731703.db2.gz KVDSCVJNHSERIL-UHFFFAOYSA-N 0 0 332.356 3.417 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)c(F)c1 ZINC000302191305 308732641 /nfs/dbraw/zinc/73/26/41/308732641.db2.gz ZBVIPVZUWBADRA-UHFFFAOYSA-N 0 0 332.335 3.378 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccncc3)CC2)c1 ZINC000302782870 308745386 /nfs/dbraw/zinc/74/53/86/308745386.db2.gz KSWNCPLZBPTHQY-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N[C@H](CN1CCOCC1)c1ccccc1 ZINC000302827692 308747382 /nfs/dbraw/zinc/74/73/82/308747382.db2.gz BMNHYSQECQRYFF-QGZVFWFLSA-N 0 0 345.374 3.219 10 5 EGBERN CC1=C(c2ccco2)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000367191927 308898619 /nfs/dbraw/zinc/89/86/19/308898619.db2.gz PIJKTMSENUHOGH-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000411547582 308943732 /nfs/dbraw/zinc/94/37/32/308943732.db2.gz DHCFMSQYEDTUDU-KSSFIOAISA-N 0 0 344.342 3.105 10 5 EGBERN CC[C@@H](NC(=O)c1cnc(C(C)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000412155155 308971960 /nfs/dbraw/zinc/97/19/60/308971960.db2.gz DGYXWOCIRYYGJN-GFCCVEGCSA-N 0 0 333.369 3.135 10 5 EGBERN COCC(C)(C)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000412383956 308983908 /nfs/dbraw/zinc/98/39/08/308983908.db2.gz ZOMPRJKKPZEBPZ-HNNXBMFYSA-N 0 0 334.416 3.364 10 5 EGBERN O=C(CNc1nccc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000413095846 309015835 /nfs/dbraw/zinc/01/58/35/309015835.db2.gz TUDCSSKNZWAMKJ-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN COc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2F)cc1OC ZINC000413127330 309017487 /nfs/dbraw/zinc/01/74/87/309017487.db2.gz ATQTZASYNNRMMG-JTQLQIEISA-N 0 0 335.335 3.189 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)C1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000413348519 309028109 /nfs/dbraw/zinc/02/81/09/309028109.db2.gz DIDGVFLYTJROIP-DOMZBBRYSA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CC)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413352698 309028326 /nfs/dbraw/zinc/02/83/26/309028326.db2.gz NRXICIHGWFJXJU-JYJNAYRXSA-N 0 0 337.420 3.141 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413358667 309028533 /nfs/dbraw/zinc/02/85/33/309028533.db2.gz WTPRPQFOGTURRQ-HLSYRSCKSA-N 0 0 335.404 3.159 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CCC3)C2)cc1OC(F)F ZINC000413484663 309034005 /nfs/dbraw/zinc/03/40/05/309034005.db2.gz ZYHXHJMJRBBWND-AWEZNQCLSA-N 0 0 328.315 3.202 10 5 EGBERN Cc1nn(CCC(=O)N(c2ccccc2)[C@H]2C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000415892443 309146455 /nfs/dbraw/zinc/14/64/55/309146455.db2.gz NYAOSJNQKHLLQY-LRDDRELGSA-N 0 0 342.399 3.240 10 5 EGBERN CO[C@@](C)([C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000415921625 309148901 /nfs/dbraw/zinc/14/89/01/309148901.db2.gz RWCPOEWSIGTQLI-QFYYESIMSA-N 0 0 340.807 3.490 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416262140 309166531 /nfs/dbraw/zinc/16/65/31/309166531.db2.gz WCASBZOUIKDMIK-GFCCVEGCSA-N 0 0 335.310 3.048 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416420015 309171426 /nfs/dbraw/zinc/17/14/26/309171426.db2.gz XDZDIDNDVTYHAH-LBPRGKRZSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000417009824 309189613 /nfs/dbraw/zinc/18/96/13/309189613.db2.gz YKLZNFFSSVSGMR-MRXNPFEDSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1c(CNc2ccc(F)cc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000417063793 309191485 /nfs/dbraw/zinc/19/14/85/309191485.db2.gz OZHAVBONGFIIHY-UHFFFAOYSA-N 0 0 345.374 3.491 10 5 EGBERN COc1cc(CSCCn2cc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000419582693 309269954 /nfs/dbraw/zinc/26/99/54/309269954.db2.gz JKXXQBPRRFQSQY-UHFFFAOYSA-N 0 0 327.793 3.387 10 5 EGBERN C[C@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C[C@@H]1c1ccccc1 ZINC000420486183 309287962 /nfs/dbraw/zinc/28/79/62/309287962.db2.gz DBVSMTHQUBGYAE-QAPCUYQASA-N 0 0 336.351 3.409 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccccc1OC1CCC1 ZINC000420600733 309289795 /nfs/dbraw/zinc/28/97/95/309289795.db2.gz MNFPYYYPAUPPAO-UHFFFAOYSA-N 0 0 341.367 3.237 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000421461787 309325574 /nfs/dbraw/zinc/32/55/74/309325574.db2.gz IWFZJOJUAWOOBP-INIZCTEOSA-N 0 0 328.368 3.329 10 5 EGBERN CC[C@H](NC(=O)c1nn(C)c(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000421487559 309326839 /nfs/dbraw/zinc/32/68/39/309326839.db2.gz RKFXZMWFXYQGNH-LBPRGKRZSA-N 0 0 336.779 3.171 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421518044 309328120 /nfs/dbraw/zinc/32/81/20/309328120.db2.gz DGXWEIHCESPLSF-UHFFFAOYSA-N 0 0 333.413 3.373 10 5 EGBERN CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)(C)C ZINC000421536822 309328904 /nfs/dbraw/zinc/32/89/04/309328904.db2.gz WKRZDJVCRWJTJT-UHFFFAOYSA-N 0 0 336.388 3.015 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424898660 309459234 /nfs/dbraw/zinc/45/92/34/309459234.db2.gz UFIFOXGQSDBWDH-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000424962540 309460456 /nfs/dbraw/zinc/46/04/56/309460456.db2.gz DFFQUFGPFLXPFE-FUHWJXTLSA-N 0 0 344.342 3.361 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC000425302177 309472091 /nfs/dbraw/zinc/47/20/91/309472091.db2.gz IKEKRGXDQJUUKI-UHFFFAOYSA-N 0 0 343.261 3.148 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000426650459 309511726 /nfs/dbraw/zinc/51/17/26/309511726.db2.gz CSKKSYRHVWEJJJ-MRXNPFEDSA-N 0 0 328.368 3.251 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)c2cccs2)n1 ZINC000427599384 309531913 /nfs/dbraw/zinc/53/19/13/309531913.db2.gz OHZJSPKKFOEGKA-NSHDSACASA-N 0 0 336.417 3.390 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000427601500 309531991 /nfs/dbraw/zinc/53/19/91/309531991.db2.gz LIOOLJBKBUIVAE-GTNSWQLSSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccc(OC)c([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000427983748 309539711 /nfs/dbraw/zinc/53/97/11/309539711.db2.gz VHEHGWFMNVVTDF-JTQLQIEISA-N 0 0 342.355 3.083 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000430413605 309607635 /nfs/dbraw/zinc/60/76/35/309607635.db2.gz HQTNNKPLDUZJOQ-INIZCTEOSA-N 0 0 344.342 3.225 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3c(Cl)cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000432169866 309653951 /nfs/dbraw/zinc/65/39/51/309653951.db2.gz NNCPSVQVHZNZOH-LBPRGKRZSA-N 0 0 349.822 3.371 10 5 EGBERN CC(C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000436721372 309770349 /nfs/dbraw/zinc/77/03/49/309770349.db2.gz JTEWVORZHWJUCN-UHFFFAOYSA-N 0 0 345.321 3.266 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437008768 309785645 /nfs/dbraw/zinc/78/56/45/309785645.db2.gz VPXJGWNHPCSENL-UHFFFAOYSA-N 0 0 327.262 3.214 10 5 EGBERN Cc1nn(C)cc1[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439098705 309826270 /nfs/dbraw/zinc/82/62/70/309826270.db2.gz LOACJWVTVURAGE-VIFPVBQESA-N 0 0 336.779 3.090 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439305160 309830991 /nfs/dbraw/zinc/83/09/91/309830991.db2.gz PPWWNKPEEPHDTI-KGLIPLIRSA-N 0 0 333.388 3.184 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000442678762 309884299 /nfs/dbraw/zinc/88/42/99/309884299.db2.gz KZNPNPVFHWLYPG-GWCFXTLKSA-N 0 0 344.371 3.359 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(C3CCCCC3)C2=O)n1 ZINC000443521692 309902675 /nfs/dbraw/zinc/90/26/75/309902675.db2.gz JZDHTHVEJGOZHG-HNNXBMFYSA-N 0 0 346.431 3.342 10 5 EGBERN CCc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443694960 309907011 /nfs/dbraw/zinc/90/70/11/309907011.db2.gz VDKWHEPVQMXZKG-UHFFFAOYSA-N 0 0 348.424 3.119 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(C[C@H](C)c2ccccc2)no1 ZINC000445232501 309938259 /nfs/dbraw/zinc/93/82/59/309938259.db2.gz IJEBWHWANODGKK-LBPRGKRZSA-N 0 0 341.371 3.072 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cn2ccccc2n1 ZINC000445248719 309938557 /nfs/dbraw/zinc/93/85/57/309938557.db2.gz KITNEPBGJVIXSP-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN C/C(=C\c1ccc(F)cc1)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445616362 309944544 /nfs/dbraw/zinc/94/45/44/309944544.db2.gz QQRGEUYXUCZLPQ-CMDGGOBGSA-N 0 0 343.318 3.386 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOC1CCCC1 ZINC000446018760 309953448 /nfs/dbraw/zinc/95/34/48/309953448.db2.gz GOYSUHMHPOIYAI-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN CC[C@H](C[C@@H](C)CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446174075 309957743 /nfs/dbraw/zinc/95/77/43/309957743.db2.gz APSADVHYVZAZFK-BXKDBHETSA-N 0 0 328.796 3.084 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000446324932 309960423 /nfs/dbraw/zinc/96/04/23/309960423.db2.gz XBUHQPGIRJOCGJ-OAHLLOKOSA-N 0 0 331.416 3.313 10 5 EGBERN O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000448516946 310005078 /nfs/dbraw/zinc/00/50/78/310005078.db2.gz MLJPSRUDVJOLDQ-UHFFFAOYSA-N 0 0 339.233 3.070 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1F ZINC000450157588 310106300 /nfs/dbraw/zinc/10/63/00/310106300.db2.gz OKAOZBXMTRZOTJ-MRVPVSSYSA-N 0 0 332.278 3.050 10 5 EGBERN O=[N+]([O-])c1ccc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cn1 ZINC000450404594 310120477 /nfs/dbraw/zinc/12/04/77/310120477.db2.gz NSTHBVAIQNDJEI-INIZCTEOSA-N 0 0 331.347 3.315 10 5 EGBERN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000450442918 310123015 /nfs/dbraw/zinc/12/30/15/310123015.db2.gz UEXGCARKQLIHJG-GOEBONIOSA-N 0 0 331.347 3.485 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000450465155 310124233 /nfs/dbraw/zinc/12/42/33/310124233.db2.gz DLAIMEWOAXEPDC-NXEZZACHSA-N 0 0 336.697 3.105 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000450467089 310124321 /nfs/dbraw/zinc/12/43/21/310124321.db2.gz CCAVGPHGWHKQBO-TUAOUCFPSA-N 0 0 331.372 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cn1 ZINC000450498725 310126555 /nfs/dbraw/zinc/12/65/55/310126555.db2.gz HXBGRINRWNTCNV-HZPDHXFCSA-N 0 0 329.356 3.416 10 5 EGBERN Cc1c(Br)c(N2CCC[C@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000450551885 310129615 /nfs/dbraw/zinc/12/96/15/310129615.db2.gz FYYDDCMWWFFRBK-LBPRGKRZSA-N 0 0 332.173 3.389 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450657113 310135559 /nfs/dbraw/zinc/13/55/59/310135559.db2.gz KVOKRKWITWLDJB-GUYCJALGSA-N 0 0 334.322 3.038 10 5 EGBERN Cc1cc(N2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000450701683 310138249 /nfs/dbraw/zinc/13/82/49/310138249.db2.gz HBKQLBPJLHJBEK-LBPRGKRZSA-N 0 0 340.248 3.128 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000450734640 310139979 /nfs/dbraw/zinc/13/99/79/310139979.db2.gz CXBNBELUTJOSGF-CMPLNLGQSA-N 0 0 336.417 3.463 10 5 EGBERN C[C@H]1CN(CC(F)(F)F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450878403 310147419 /nfs/dbraw/zinc/14/74/19/310147419.db2.gz VLZIRTMURAUUJD-JTQLQIEISA-N 0 0 335.301 3.054 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2O1 ZINC000451519381 310182430 /nfs/dbraw/zinc/18/24/30/310182430.db2.gz WBPPQRZYKDQYIV-CYBMUJFWSA-N 0 0 340.379 3.233 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451591130 310188105 /nfs/dbraw/zinc/18/81/05/310188105.db2.gz CZLXKQFEAKLOIS-NSHDSACASA-N 0 0 326.356 3.023 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451952689 310204804 /nfs/dbraw/zinc/20/48/04/310204804.db2.gz HOOORMMHOOMISP-QWHCGFSZSA-N 0 0 335.404 3.052 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000452587146 310233397 /nfs/dbraw/zinc/23/33/97/310233397.db2.gz LSEKGCJEINPMNU-GVDBMIGSSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000452587144 310233446 /nfs/dbraw/zinc/23/34/46/310233446.db2.gz LSEKGCJEINPMNU-BRWVUGGUSA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587583 310233478 /nfs/dbraw/zinc/23/34/78/310233478.db2.gz AFOFRNXFCLTWIG-MEGQDDJESA-N 0 0 349.390 3.427 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452798397 310242445 /nfs/dbraw/zinc/24/24/45/310242445.db2.gz AIHAQBFVQVTQOL-JOYOIKCWSA-N 0 0 348.321 3.405 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452810287 310242928 /nfs/dbraw/zinc/24/29/28/310242928.db2.gz DCCHOCHFHQKSLI-GUYCJALGSA-N 0 0 334.416 3.338 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000452812947 310243094 /nfs/dbraw/zinc/24/30/94/310243094.db2.gz FEUVIFVQYBSQLL-IAQYHMDHSA-N 0 0 340.807 3.429 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000452831926 310244310 /nfs/dbraw/zinc/24/43/10/310244310.db2.gz AHFOVRVHGRTEMR-WMLDXEAASA-N 0 0 346.427 3.364 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000452861531 310246226 /nfs/dbraw/zinc/24/62/26/310246226.db2.gz YHKXSCASCWSTDI-NVXWUHKLSA-N 0 0 334.416 3.095 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452866426 310246533 /nfs/dbraw/zinc/24/65/33/310246533.db2.gz ORMUIEUONYGRFE-MRVWCRGKSA-N 0 0 342.317 3.499 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)O1 ZINC000453230693 310265634 /nfs/dbraw/zinc/26/56/34/310265634.db2.gz DLYFBLZWUKFOBS-IQMDTDKHSA-N 0 0 344.371 3.489 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(CF)CCOCC1 ZINC000454937536 310336615 /nfs/dbraw/zinc/33/66/15/310336615.db2.gz CYWNHTORKLFEIJ-UHFFFAOYSA-N 0 0 339.367 3.099 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456149066 310390711 /nfs/dbraw/zinc/39/07/11/310390711.db2.gz SDYRVXKPRQKJPO-NVXWUHKLSA-N 0 0 348.443 3.488 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000457090948 310437225 /nfs/dbraw/zinc/43/72/25/310437225.db2.gz RFUWLVWGFYHJHT-GFCCVEGCSA-N 0 0 338.429 3.205 10 5 EGBERN C[C@@H](CC(F)(F)F)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457698086 310467879 /nfs/dbraw/zinc/46/78/79/310467879.db2.gz VDCMOVDCQMLWLA-QMMMGPOBSA-N 0 0 338.713 3.495 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1[N+](=O)[O-] ZINC000457786907 310472260 /nfs/dbraw/zinc/47/22/60/310472260.db2.gz NBDSNZLUNGJPOT-UHTWSYAYSA-N 0 0 330.384 3.446 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000457844481 310474964 /nfs/dbraw/zinc/47/49/64/310474964.db2.gz DJVSAHKLWJHXIX-KBPBESRZSA-N 0 0 335.404 3.114 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCC(C(F)F)CC1 ZINC000458180219 310489994 /nfs/dbraw/zinc/48/99/94/310489994.db2.gz MFXKZDWXZCEYGZ-UHFFFAOYSA-N 0 0 348.296 3.356 10 5 EGBERN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461949972 310593996 /nfs/dbraw/zinc/59/39/96/310593996.db2.gz WUMOAHPEBSXACC-INIZCTEOSA-N 0 0 345.374 3.154 10 5 EGBERN CCOC(=O)c1cc(NC[C@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000467770130 310677880 /nfs/dbraw/zinc/67/78/80/310677880.db2.gz KVOJRDJQYODOIW-QGZVFWFLSA-N 0 0 338.404 3.371 10 5 EGBERN CCSCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)no1 ZINC000471737160 310744749 /nfs/dbraw/zinc/74/47/49/310744749.db2.gz OOXNQAXVRCNFGX-SNVBAGLBSA-N 0 0 347.396 3.427 10 5 EGBERN COc1c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000475927303 310819860 /nfs/dbraw/zinc/81/98/60/310819860.db2.gz QDIVKRPOBNENRP-BZNIZROVSA-N 0 0 326.352 3.267 10 5 EGBERN O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc([N+](=O)[O-])cc1F ZINC000476484362 310829565 /nfs/dbraw/zinc/82/95/65/310829565.db2.gz CHYOYVCSKBLVIY-UHFFFAOYSA-N 0 0 343.289 3.145 10 5 EGBERN Cc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1[C@H](C)C1CC1 ZINC000479763776 310883433 /nfs/dbraw/zinc/88/34/33/310883433.db2.gz JGGVQHVXMYBRTJ-GFCCVEGCSA-N 0 0 343.387 3.445 10 5 EGBERN Cc1nc(NCC2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000480496737 310895412 /nfs/dbraw/zinc/89/54/12/310895412.db2.gz UERFRAOCZCSCOG-UHFFFAOYSA-N 0 0 326.400 3.049 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C)CCCC1 ZINC000486933291 311002592 /nfs/dbraw/zinc/00/25/92/311002592.db2.gz WQCFUVYVWDLBDL-UHFFFAOYSA-N 0 0 326.418 3.110 10 5 EGBERN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487215765 311016385 /nfs/dbraw/zinc/01/63/85/311016385.db2.gz CFNDACQZAXDDCG-OLZOCXBDSA-N 0 0 332.356 3.022 10 5 EGBERN O=c1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000488083510 311050537 /nfs/dbraw/zinc/05/05/37/311050537.db2.gz FHUMSJAHFOURJS-UHFFFAOYSA-N 0 0 346.346 3.431 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000490891950 311156349 /nfs/dbraw/zinc/15/63/49/311156349.db2.gz DTCDPBLCJFBZEW-NSHDSACASA-N 0 0 327.331 3.334 10 5 EGBERN Cc1cc2cc(NCc3csc([N+](=O)[O-])c3)ccc2n(C)c1=O ZINC000492241189 311229259 /nfs/dbraw/zinc/22/92/59/311229259.db2.gz OJQQTPVVDVLSCI-UHFFFAOYSA-N 0 0 329.381 3.429 10 5 EGBERN O=c1[nH]ccc2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000493382866 311368374 /nfs/dbraw/zinc/36/83/74/311368374.db2.gz IWHOTIUVJXPFSE-UHFFFAOYSA-N 0 0 339.273 3.277 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000494301974 311469067 /nfs/dbraw/zinc/46/90/67/311469067.db2.gz UJLGFJCNRBXWFO-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN COC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000494591207 311492412 /nfs/dbraw/zinc/49/24/12/311492412.db2.gz VGNHGTUOBPBQSM-LLVKDONJSA-N 0 0 343.339 3.264 10 5 EGBERN CC(C)(C(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000504553939 312007752 /nfs/dbraw/zinc/00/77/52/312007752.db2.gz RCISHHITXUOSRB-LJQANCHMSA-N 0 0 348.443 3.320 10 5 EGBERN CC(C)(C)c1ccc(NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000506267445 312045921 /nfs/dbraw/zinc/04/59/21/312045921.db2.gz FJLDCSUFUWMQCH-GFCCVEGCSA-N 0 0 340.445 3.129 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000507621993 312080015 /nfs/dbraw/zinc/08/00/15/312080015.db2.gz QJJRMOCHCNPBSK-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN COC(=O)c1ccc(CCNc2cc(OC)c([N+](=O)[O-])cc2F)cc1 ZINC000508245766 312091532 /nfs/dbraw/zinc/09/15/32/312091532.db2.gz HKDGHIHWGNSRLX-UHFFFAOYSA-N 0 0 348.330 3.184 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000509957961 312129685 /nfs/dbraw/zinc/12/96/85/312129685.db2.gz MIUJUFRXOXDHSS-JSGCOSHPSA-N 0 0 346.333 3.335 10 5 EGBERN C[C@@H]1CCCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512175251 312177718 /nfs/dbraw/zinc/17/77/18/312177718.db2.gz NNMHZTQSAYRLTD-LLVKDONJSA-N 0 0 325.796 3.451 10 5 EGBERN Cc1cc(C)cc(-c2cc(=NC(=O)c3csc([N+](=O)[O-])c3)[nH][nH]2)c1 ZINC000512551413 312189251 /nfs/dbraw/zinc/18/92/51/312189251.db2.gz UIRSDUCVEQGKNC-UHFFFAOYSA-N 0 0 342.380 3.337 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000514183722 312226910 /nfs/dbraw/zinc/22/69/10/312226910.db2.gz XHQAMLQJPRROHH-UBHAPETDSA-N 0 0 343.305 3.035 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000514950759 312256308 /nfs/dbraw/zinc/25/63/08/312256308.db2.gz KFSYETXPWKKDGU-BBRMVZONSA-N 0 0 329.356 3.331 10 5 EGBERN O=c1ccc(-c2ccc(F)cc2)nn1CCc1ccc([N+](=O)[O-])cc1 ZINC000514967229 312257446 /nfs/dbraw/zinc/25/74/46/312257446.db2.gz YJWIOYGFZASPAQ-UHFFFAOYSA-N 0 0 339.326 3.200 10 5 EGBERN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515327106 312276699 /nfs/dbraw/zinc/27/66/99/312276699.db2.gz CURMYKDTPVWYNP-CRAIPNDOSA-N 0 0 329.400 3.417 10 5 EGBERN C[C@H](C(=O)N1CCC(C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515939919 312302997 /nfs/dbraw/zinc/30/29/97/312302997.db2.gz NTQVINPDCNWFQG-AWEZNQCLSA-N 0 0 346.427 3.364 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000524659576 312670256 /nfs/dbraw/zinc/67/02/56/312670256.db2.gz WQYHEWMFMBKNIB-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000525934103 312770524 /nfs/dbraw/zinc/77/05/24/312770524.db2.gz AIHDQARFTXRLQX-DTORHVGOSA-N 0 0 331.294 3.306 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000527184826 312838034 /nfs/dbraw/zinc/83/80/34/312838034.db2.gz JYFKLWPNRARWBL-SCZZXKLOSA-N 0 0 331.294 3.049 10 5 EGBERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624412 313691990 /nfs/dbraw/zinc/69/19/90/313691990.db2.gz BCVVXPQQBQBABK-UHFFFAOYSA-N 0 0 342.355 3.145 10 5 EGBERN CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878143 313725085 /nfs/dbraw/zinc/72/50/85/313725085.db2.gz IBKSWPHUPFAAGE-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532141813 313760080 /nfs/dbraw/zinc/76/00/80/313760080.db2.gz UQCDLVDEYNNQGP-UHFFFAOYSA-N 0 0 331.303 3.313 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532396799 313793943 /nfs/dbraw/zinc/79/39/43/313793943.db2.gz OUHBCPPNNPWDOB-KRWDZBQOSA-N 0 0 345.374 3.468 10 5 EGBERN Cc1c(Cl)cc(F)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1F ZINC000534192455 313959497 /nfs/dbraw/zinc/95/94/97/313959497.db2.gz MRLOKKLQNHBVTE-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN Cc1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000534772801 313998916 /nfs/dbraw/zinc/99/89/16/313998916.db2.gz SDKGWHVCHRKSPR-INIZCTEOSA-N 0 0 329.331 3.318 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000538329710 314240483 /nfs/dbraw/zinc/24/04/83/314240483.db2.gz SRGQGLUZDZMAJQ-CYBMUJFWSA-N 0 0 349.774 3.230 10 5 EGBERN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538804078 314276896 /nfs/dbraw/zinc/27/68/96/314276896.db2.gz PMENLCUYQMIEDH-WDEREUQCSA-N 0 0 329.331 3.277 10 5 EGBERN CC[C@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000540207574 314369815 /nfs/dbraw/zinc/36/98/15/314369815.db2.gz AFAQQPPRQMYUNU-LLVKDONJSA-N 0 0 326.418 3.268 10 5 EGBERN Cn1c(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000540451807 314381746 /nfs/dbraw/zinc/38/17/46/314381746.db2.gz XXXVGMLPXQXNHH-UHFFFAOYSA-N 0 0 345.355 3.141 10 5 EGBERN CCOc1cc(Nc2ccc(N3CCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000540995613 314427790 /nfs/dbraw/zinc/42/77/90/314427790.db2.gz VPZMCTUYPIXOJM-UHFFFAOYSA-N 0 0 327.340 3.474 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541229173 314442462 /nfs/dbraw/zinc/44/24/62/314442462.db2.gz OGUMXCFAVYKKOH-JTQLQIEISA-N 0 0 326.308 3.041 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000542423664 314544039 /nfs/dbraw/zinc/54/40/39/314544039.db2.gz LYSTUFGZSTWKGI-UHFFFAOYSA-N 0 0 346.362 3.418 10 5 EGBERN COC(=O)c1cc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c(C)o1 ZINC000542712068 314571243 /nfs/dbraw/zinc/57/12/43/314571243.db2.gz PJKTUJWMSWFTNT-UHFFFAOYSA-N 0 0 349.730 3.334 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000544622382 314707766 /nfs/dbraw/zinc/70/77/66/314707766.db2.gz YNBKIQBCWLCBDB-MRXNPFEDSA-N 0 0 333.388 3.408 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545364069 314759726 /nfs/dbraw/zinc/75/97/26/314759726.db2.gz GVEOUBWVALLYTP-HUUCEWRRSA-N 0 0 340.445 3.229 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000549360248 315088453 /nfs/dbraw/zinc/08/84/53/315088453.db2.gz KQJQKHVKCSWKDE-CQSZACIVSA-N 0 0 327.388 3.110 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000552970987 315239532 /nfs/dbraw/zinc/23/95/32/315239532.db2.gz AATYMVXPGCTHJP-HNNXBMFYSA-N 0 0 341.367 3.493 10 5 EGBERN CC1CCC(C)(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553558997 315270023 /nfs/dbraw/zinc/27/00/23/315270023.db2.gz ZZKFJRIIHIXQJM-UHFFFAOYSA-N 0 0 330.388 3.294 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3n[nH]nc3c2)no1 ZINC000555473625 315385751 /nfs/dbraw/zinc/38/57/51/315385751.db2.gz XZHDOEWUKZOIRA-NTMALXAHSA-N 0 0 348.322 3.477 10 5 EGBERN CCOc1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000555901932 315408162 /nfs/dbraw/zinc/40/81/62/315408162.db2.gz KEXHSBUQGRIASA-UHFFFAOYSA-N 0 0 331.328 3.227 10 5 EGBERN Cc1cc(-c2noc(Cn3cnc4c3CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000556439845 315435716 /nfs/dbraw/zinc/43/57/16/315435716.db2.gz KYNAPNPWRRKERN-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](CO)c2ccccc21 ZINC000558532067 315577005 /nfs/dbraw/zinc/57/70/05/315577005.db2.gz XFTPOWGHCDHVCK-LLVKDONJSA-N 0 0 346.770 3.293 10 5 EGBERN C[C@@H](C(=O)NCCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000559390328 315631715 /nfs/dbraw/zinc/63/17/15/315631715.db2.gz QVNBTSKHFDDEPJ-CYBMUJFWSA-N 0 0 345.374 3.456 10 5 EGBERN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccccn1 ZINC000562627022 315864688 /nfs/dbraw/zinc/86/46/88/315864688.db2.gz XFJCBPKCSBFBHG-UHFFFAOYSA-N 0 0 325.246 3.285 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563939258 316093598 /nfs/dbraw/zinc/09/35/98/316093598.db2.gz PPPARGQBRLIWQY-STQMWFEESA-N 0 0 346.383 3.270 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCn1c(C)nc2ccccc21 ZINC000564126101 316115969 /nfs/dbraw/zinc/11/59/69/316115969.db2.gz MDTHGTVUAPXVJB-UHFFFAOYSA-N 0 0 326.356 3.374 10 5 EGBERN Cc1cc(C(=O)N2CCC(F)(c3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000564605856 316174377 /nfs/dbraw/zinc/17/43/77/316174377.db2.gz SRNWFRBQYUHNGY-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN O=C([C@H]1CCCC[C@H]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565022414 316250509 /nfs/dbraw/zinc/25/05/09/316250509.db2.gz ZKFLYNJTJASALR-HOTGVXAUSA-N 0 0 329.400 3.091 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000565122446 316270595 /nfs/dbraw/zinc/27/05/95/316270595.db2.gz OBJWHIHCALXHHO-PIGZYNQJSA-N 0 0 346.358 3.148 10 5 EGBERN Cc1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n1 ZINC000565759221 316365979 /nfs/dbraw/zinc/36/59/79/316365979.db2.gz NNQUCLFFJKMOFP-UHFFFAOYSA-N 0 0 349.778 3.419 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCn2ccc3cc(Cl)ccc32)c1=O ZINC000567149910 316574926 /nfs/dbraw/zinc/57/49/26/316574926.db2.gz DSLXRWGLNVNXFB-UHFFFAOYSA-N 0 0 331.759 3.373 10 5 EGBERN CCOc1cc(COc2cnn(C)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000569745184 316957664 /nfs/dbraw/zinc/95/76/64/316957664.db2.gz OIGKKUIGWTXZLW-UHFFFAOYSA-N 0 0 345.277 3.325 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000570060711 317002738 /nfs/dbraw/zinc/00/27/38/317002738.db2.gz ZVJBLGJVVNVXQK-SNVBAGLBSA-N 0 0 334.294 3.151 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000570304180 317037103 /nfs/dbraw/zinc/03/71/03/317037103.db2.gz XBMFUCFEXLBVKP-QGZVFWFLSA-N 0 0 332.306 3.445 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000570844963 317116239 /nfs/dbraw/zinc/11/62/39/317116239.db2.gz FZQXRBDKAXPPJW-KGLIPLIRSA-N 0 0 342.399 3.304 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1CCc2ccccc2C1 ZINC000572036540 317282348 /nfs/dbraw/zinc/28/23/48/317282348.db2.gz UTPDKLLPAVYFNB-LLVKDONJSA-N 0 0 341.392 3.171 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3ncnc4ccsc43)c2c1 ZINC000572397009 317333542 /nfs/dbraw/zinc/33/35/42/317333542.db2.gz DJEKSYPERXRANQ-UHFFFAOYSA-N 0 0 339.380 3.157 10 5 EGBERN O=C(NCCCC1CC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572676585 317373288 /nfs/dbraw/zinc/37/32/88/317373288.db2.gz BHFOIXQXIRMHPK-UHFFFAOYSA-N 0 0 330.388 3.108 10 5 EGBERN Cc1ccccc1C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000572795972 317392481 /nfs/dbraw/zinc/39/24/81/317392481.db2.gz VDAGEARHCCPRAK-GFCCVEGCSA-N 0 0 348.349 3.471 10 5 EGBERN C[C@H](C(=O)NCc1ccn(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000573417344 317480556 /nfs/dbraw/zinc/48/05/56/317480556.db2.gz DTMALOAMFIDWMM-ZDUSSCGKSA-N 0 0 342.399 3.326 10 5 EGBERN Cc1cc(NCC2(C[NH+](C)C)CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574328574 317586553 /nfs/dbraw/zinc/58/65/53/317586553.db2.gz SEVUOXDVOKXTQP-UHFFFAOYSA-N 0 0 335.404 3.135 10 5 EGBERN CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000119138885 455128549 /nfs/dbraw/zinc/12/85/49/455128549.db2.gz QQNLSNMFDCDSBU-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000171313508 323229142 /nfs/dbraw/zinc/22/91/42/323229142.db2.gz DOYTXKCHFYWNHB-HNNXBMFYSA-N 0 0 334.759 3.366 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000350610799 324106903 /nfs/dbraw/zinc/10/69/03/324106903.db2.gz NFTOHDPWSZPVGQ-DOMZBBRYSA-N 0 0 346.387 3.163 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cncs3)no2)ccc1N1CCCC1 ZINC000350911995 324138284 /nfs/dbraw/zinc/13/82/84/324138284.db2.gz UAVGOHYEXKCGCU-UHFFFAOYSA-N 0 0 343.368 3.369 10 5 EGBERN CC(C)(C)c1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000576884711 324700361 /nfs/dbraw/zinc/70/03/61/324700361.db2.gz FMMVFSGPRPKXDA-UHFFFAOYSA-N 0 0 339.395 3.486 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)CC2)n1 ZINC000579046248 325053616 /nfs/dbraw/zinc/05/36/16/325053616.db2.gz LKURXKHZQSUDGT-UHFFFAOYSA-N 0 0 330.363 3.072 10 5 EGBERN CO[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)(C)C ZINC000580011480 325188419 /nfs/dbraw/zinc/18/84/19/325188419.db2.gz GQJHQDIAYQSZFH-NSHDSACASA-N 0 0 348.321 3.405 10 5 EGBERN COC(=O)CC1(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000580572580 325269532 /nfs/dbraw/zinc/26/95/32/325269532.db2.gz WLEBECKJECMKSW-UHFFFAOYSA-N 0 0 349.387 3.110 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3ccnc4ccncc43)c2c1 ZINC000580855447 325301952 /nfs/dbraw/zinc/30/19/52/325301952.db2.gz PGTMUYVYSHKBJI-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN CC[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000581159683 325336129 /nfs/dbraw/zinc/33/61/29/325336129.db2.gz SMHWXLQVOOYXLJ-CYBMUJFWSA-N 0 0 329.404 3.407 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)C2)c1 ZINC000581320994 325352175 /nfs/dbraw/zinc/35/21/75/325352175.db2.gz UPHAKEKPKKNSJC-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN O=C(CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)Nc1ccccc1 ZINC000582603131 325455157 /nfs/dbraw/zinc/45/51/57/325455157.db2.gz MXFWWFAMTRDWKI-UHFFFAOYSA-N 0 0 340.383 3.309 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000351884916 457320979 /nfs/dbraw/zinc/32/09/79/457320979.db2.gz OVAOITCIYGVKPK-ZYHUDNBSSA-N 0 0 326.418 3.021 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C)c1C(C)=O ZINC000157886360 455244927 /nfs/dbraw/zinc/24/49/27/455244927.db2.gz OZJXDEXAMGQPCF-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN COC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183207448 455251461 /nfs/dbraw/zinc/25/14/61/455251461.db2.gz RYOURPZAEQFYCJ-GOSISDBHSA-N 0 0 340.379 3.003 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000180923898 455264475 /nfs/dbraw/zinc/26/44/75/455264475.db2.gz PLUMLLIWUZAAON-ABZNLYFFSA-N 0 0 346.412 3.478 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1cc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000183281948 455269242 /nfs/dbraw/zinc/26/92/42/455269242.db2.gz QJICJSLVGUXCMU-CQSZACIVSA-N 0 0 338.385 3.234 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(NCCC2=CCOCC2)cc1Cl ZINC000158097093 455269577 /nfs/dbraw/zinc/26/95/77/455269577.db2.gz RCDRCGGWSWGXEY-UHFFFAOYSA-N 0 0 340.763 3.184 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)s1 ZINC000241719872 455269685 /nfs/dbraw/zinc/26/96/85/455269685.db2.gz QQLJLMLSRDUHNU-ZETCQYMHSA-N 0 0 347.322 3.177 10 5 EGBERN Cc1cc(S(=O)(=O)NC2(C)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000612140368 460552007 /nfs/dbraw/zinc/55/20/07/460552007.db2.gz LXSBGLMFUIAWQY-UHFFFAOYSA-N 0 0 348.371 3.150 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(C(F)(F)F)c1 ZINC000000142301 452519691 /nfs/dbraw/zinc/51/96/91/452519691.db2.gz QKFOMRZZGDUWGS-UHFFFAOYSA-N 0 0 330.218 3.468 10 5 EGBERN CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000600703139 460573562 /nfs/dbraw/zinc/57/35/62/460573562.db2.gz LNRKIPCCXGCSDV-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@H]2CC=CCC2)C1=O ZINC000600704077 460573648 /nfs/dbraw/zinc/57/36/48/460573648.db2.gz XRZOSSHOZLMLII-SCLBCKFNSA-N 0 0 343.383 3.108 10 5 EGBERN CC(=O)N[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000006601991 452959315 /nfs/dbraw/zinc/95/93/15/452959315.db2.gz YXPCXBQTLUTROK-MRXNPFEDSA-N 0 0 341.367 3.109 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1Cl ZINC000006786490 452987820 /nfs/dbraw/zinc/98/78/20/452987820.db2.gz CKDVAOJBTGHEOV-UHFFFAOYSA-N 0 0 335.747 3.307 10 5 EGBERN COc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000007366801 453065913 /nfs/dbraw/zinc/06/59/13/453065913.db2.gz GJLULXYLLOKFBK-SECBINFHSA-N 0 0 333.319 3.015 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000173910363 455341017 /nfs/dbraw/zinc/34/10/17/455341017.db2.gz WUPGTJIJOSSAHE-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN O=[N+]([O-])c1cnn(C[C@H](O)CNc2cccc(C3CCCCC3)c2)c1 ZINC000600745447 460587912 /nfs/dbraw/zinc/58/79/12/460587912.db2.gz JMPXVLYKLDMYDR-GOSISDBHSA-N 0 0 344.415 3.312 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000612335110 460599107 /nfs/dbraw/zinc/59/91/07/460599107.db2.gz HXKWLSLCVLLBNJ-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000600807093 460611063 /nfs/dbraw/zinc/61/10/63/460611063.db2.gz UTLFDTGPLRKHNY-QAVQXKDTSA-N 0 0 332.356 3.142 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCC12CC2 ZINC000600804174 460611485 /nfs/dbraw/zinc/61/14/85/460611485.db2.gz LWVKLNGGDXTXQZ-CQSZACIVSA-N 0 0 327.384 3.246 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600812261 460613532 /nfs/dbraw/zinc/61/35/32/460613532.db2.gz UXMIRCVZTRRRNF-XQJDBVBESA-N 0 0 346.383 3.184 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000025372669 453768384 /nfs/dbraw/zinc/76/83/84/453768384.db2.gz YAHPDILLLAYVEO-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000025416921 453771279 /nfs/dbraw/zinc/77/12/79/453771279.db2.gz LFGNSXGJKALWJW-AWEZNQCLSA-N 0 0 327.384 3.362 10 5 EGBERN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1)c1ccco1 ZINC000025571254 453778543 /nfs/dbraw/zinc/77/85/43/453778543.db2.gz NPFSYNKQPSBSKQ-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccccc2)nc1NC1CC1 ZINC000026700594 453803615 /nfs/dbraw/zinc/80/36/15/453803615.db2.gz ZDAUJAPLTGFDMG-CQSZACIVSA-N 0 0 325.372 3.301 10 5 EGBERN CCCC[C@@H](CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000028048464 453822023 /nfs/dbraw/zinc/82/20/23/453822023.db2.gz JGOTXLOVHKHAGL-GFCCVEGCSA-N 0 0 344.433 3.098 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000054055974 453908216 /nfs/dbraw/zinc/90/82/16/453908216.db2.gz UFMMJQDCAFUNGT-AWEZNQCLSA-N 0 0 345.378 3.393 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(-c2cccnc2)no1 ZINC000054610822 453938121 /nfs/dbraw/zinc/93/81/21/453938121.db2.gz RFLAXRSNFLURLF-GFCCVEGCSA-N 0 0 339.355 3.233 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000067787324 453965974 /nfs/dbraw/zinc/96/59/74/453965974.db2.gz WECFALVXGQUQPG-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000084434683 453989192 /nfs/dbraw/zinc/98/91/92/453989192.db2.gz BCNGBOTUNYILLP-UHFFFAOYSA-N 0 0 339.395 3.287 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1noc(Cc2ccccc2)n1 ZINC000068052807 453992618 /nfs/dbraw/zinc/99/26/18/453992618.db2.gz VNUXYTLAHSZZRH-UHFFFAOYSA-N 0 0 341.323 3.156 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)CSc2nncs2)cc1[N+](=O)[O-] ZINC000084808663 454011310 /nfs/dbraw/zinc/01/13/10/454011310.db2.gz DGHSHDZNLVDNCY-VIFPVBQESA-N 0 0 339.398 3.151 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000043744781 454075997 /nfs/dbraw/zinc/07/59/97/454075997.db2.gz GTIQMFJUTWCOQD-UHFFFAOYSA-N 0 0 334.353 3.378 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000077305058 454087960 /nfs/dbraw/zinc/08/79/60/454087960.db2.gz VMTVLIRAZWNIFH-INIZCTEOSA-N 0 0 326.352 3.004 10 5 EGBERN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000077327052 454092021 /nfs/dbraw/zinc/09/20/21/454092021.db2.gz MJPRWOTWVJGUDK-GXFFZTMASA-N 0 0 331.397 3.024 10 5 EGBERN O=C(Nc1cccs1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000069562386 454119387 /nfs/dbraw/zinc/11/93/87/454119387.db2.gz FTDHQECJDIEQGQ-UHFFFAOYSA-N 0 0 346.412 3.006 10 5 EGBERN CCc1nn(C)c(NCc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000094133146 454188025 /nfs/dbraw/zinc/18/80/25/454188025.db2.gz JPRFKWMQOJPFJG-UHFFFAOYSA-N 0 0 344.293 3.401 10 5 EGBERN CC(C)N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000078182321 454208041 /nfs/dbraw/zinc/20/80/41/454208041.db2.gz CCLWMURAPOITEF-UHFFFAOYSA-N 0 0 347.415 3.199 10 5 EGBERN CCc1ccc(CN(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000046034284 454209112 /nfs/dbraw/zinc/20/91/12/454209112.db2.gz ASANDADVMHWGPN-UHFFFAOYSA-N 0 0 348.424 3.286 10 5 EGBERN CC(=O)[C@@H](C)CCCCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119781900 454220253 /nfs/dbraw/zinc/22/02/53/454220253.db2.gz ASOFNADBEJSHRP-ZDUSSCGKSA-N 0 0 332.400 3.265 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000078426543 454251293 /nfs/dbraw/zinc/25/12/93/454251293.db2.gz KEIZURJJTLQXPU-ZYUDAIQPSA-N 0 0 334.372 3.151 10 5 EGBERN CCC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223189 454295767 /nfs/dbraw/zinc/29/57/67/454295767.db2.gz XKXIFDOHWSTMJE-JKSUJKDBSA-N 0 0 329.404 3.461 10 5 EGBERN C[C@H]1C(=O)N(Cc2csc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000047172043 454335763 /nfs/dbraw/zinc/33/57/63/454335763.db2.gz FTVSYXVHPKLQTN-VIFPVBQESA-N 0 0 349.343 3.153 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](C4CCCCC4)C3)c2c1 ZINC000612457777 460633655 /nfs/dbraw/zinc/63/36/55/460633655.db2.gz PKFHAVGFAVRKMF-QGZVFWFLSA-N 0 0 342.399 3.324 10 5 EGBERN O=[N+]([O-])c1cccc(CSc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000096933899 454382888 /nfs/dbraw/zinc/38/28/88/454382888.db2.gz NLYJDCUWXZBFEJ-UHFFFAOYSA-N 0 0 332.297 3.332 10 5 EGBERN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000073050202 454388410 /nfs/dbraw/zinc/38/84/10/454388410.db2.gz ADBLZCUGLMJSIV-HNNXBMFYSA-N 0 0 327.319 3.064 10 5 EGBERN Cc1ccc(CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)C)o1 ZINC000047631014 454392500 /nfs/dbraw/zinc/39/25/00/454392500.db2.gz HEXIEWRGSOBEDG-UHFFFAOYSA-N 0 0 331.372 3.345 10 5 EGBERN O=C([C@@H]1Cc2ccccc2S1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073303809 454418572 /nfs/dbraw/zinc/41/85/72/454418572.db2.gz ADRVJXMFKWARHC-INIZCTEOSA-N 0 0 326.377 3.201 10 5 EGBERN Cc1cccc(C(=O)N=c2[nH]c3cc(Cl)ccc3n2C)c1[N+](=O)[O-] ZINC000063981752 454462038 /nfs/dbraw/zinc/46/20/38/454462038.db2.gz NORGWYSMDCCNRE-UHFFFAOYSA-N 0 0 344.758 3.118 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000133828211 454472027 /nfs/dbraw/zinc/47/20/27/454472027.db2.gz KSHLNQPOQWJBCR-QGZVFWFLSA-N 0 0 344.367 3.029 10 5 EGBERN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000266767515 455450509 /nfs/dbraw/zinc/45/05/09/455450509.db2.gz VTWIWFSXKURSKD-UHFFFAOYSA-N 0 0 346.412 3.141 10 5 EGBERN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)ccc1[N+](=O)[O-] ZINC000074099423 454531634 /nfs/dbraw/zinc/53/16/34/454531634.db2.gz IAOFDJLUZRPQAH-INIZCTEOSA-N 0 0 341.367 3.124 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246221483 455451774 /nfs/dbraw/zinc/45/17/74/455451774.db2.gz DOJAURZXCOCOKH-ZMYBRWDISA-N 0 0 342.395 3.090 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134459691 454546359 /nfs/dbraw/zinc/54/63/59/454546359.db2.gz VORJGYFEHNTTGI-UHFFFAOYSA-N 0 0 349.387 3.341 10 5 EGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122579571 454549381 /nfs/dbraw/zinc/54/93/81/454549381.db2.gz KHXXTPRGDDMKBH-NSHDSACASA-N 0 0 332.747 3.181 10 5 EGBERN Cc1noc(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375227 454551150 /nfs/dbraw/zinc/55/11/50/454551150.db2.gz XZIJETNHYNYYKA-NXEZZACHSA-N 0 0 329.356 3.281 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1S[C@@H]1CCCc2ccccc21 ZINC000160443405 455459242 /nfs/dbraw/zinc/45/92/42/455459242.db2.gz BPBOWNJPFZFRAL-CQSZACIVSA-N 0 0 329.381 3.258 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000080387258 454574740 /nfs/dbraw/zinc/57/47/40/454574740.db2.gz HWKDOLZBTGCEEQ-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)CCN3C(C)=O)c1 ZINC000092583485 454589240 /nfs/dbraw/zinc/58/92/40/454589240.db2.gz QDHCVTUWQZEMKF-UHFFFAOYSA-N 0 0 345.330 3.395 10 5 EGBERN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cnccn1 ZINC000092590815 454591430 /nfs/dbraw/zinc/59/14/30/454591430.db2.gz FDIYDEHKKPTNTO-UHFFFAOYSA-N 0 0 341.396 3.140 10 5 EGBERN CC(=O)c1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000065614181 454604344 /nfs/dbraw/zinc/60/43/44/454604344.db2.gz QTXHBDOUQNHSHY-QGZVFWFLSA-N 0 0 332.331 3.106 10 5 EGBERN CCOC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000092685213 454610296 /nfs/dbraw/zinc/61/02/96/454610296.db2.gz GMZZEXPAUYGGAO-UHFFFAOYSA-N 0 0 332.360 3.142 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000080976310 454663399 /nfs/dbraw/zinc/66/33/99/454663399.db2.gz MHPAJCNVYQOTJK-GFCCVEGCSA-N 0 0 325.796 3.133 10 5 EGBERN Cc1ccc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000093104437 454683087 /nfs/dbraw/zinc/68/30/87/454683087.db2.gz FLUIBCZRNOOBSR-KRWDZBQOSA-N 0 0 339.395 3.141 10 5 EGBERN Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000123996971 454692639 /nfs/dbraw/zinc/69/26/39/454692639.db2.gz UUDCNOBKDWYEHJ-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN CCc1cnc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000081205540 454695394 /nfs/dbraw/zinc/69/53/94/454695394.db2.gz VRQMLKZUJWOZHX-UHFFFAOYSA-N 0 0 339.804 3.240 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000081260120 454699464 /nfs/dbraw/zinc/69/94/64/454699464.db2.gz HSRIRHZYERBDNZ-AWEZNQCLSA-N 0 0 330.388 3.135 10 5 EGBERN Cc1ccccc1Cc1nnc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000124631410 454754500 /nfs/dbraw/zinc/75/45/00/454754500.db2.gz OMPQSUKSFDHJOJ-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN CC(C)(C)c1nc(CSCCn2cc([N+](=O)[O-])cn2)cs1 ZINC000162243810 454761944 /nfs/dbraw/zinc/76/19/44/454761944.db2.gz LILRXNGRZLDNSN-UHFFFAOYSA-N 0 0 326.447 3.479 10 5 EGBERN Cc1sc(C(=O)N2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000162545932 454782810 /nfs/dbraw/zinc/78/28/10/454782810.db2.gz ICOAKILDZPNKPA-UHFFFAOYSA-N 0 0 338.429 3.244 10 5 EGBERN Cc1nnc([C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604477 454787452 /nfs/dbraw/zinc/78/74/52/454787452.db2.gz GPSPDLLJGSVHSL-YVEFUNNKSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1c(C(=O)N2CCC(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000162606302 454788118 /nfs/dbraw/zinc/78/81/18/454788118.db2.gz OOXNCMBBZVWZBZ-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN NC(=O)[C@H]1CCC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000125184621 454802816 /nfs/dbraw/zinc/80/28/16/454802816.db2.gz XMHDJKDJDKSCOM-JGVFFNPUSA-N 0 0 332.187 3.358 10 5 EGBERN COc1ccc([C@H](CCO)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000176960855 454804083 /nfs/dbraw/zinc/80/40/83/454804083.db2.gz NUNUSMIDEHREAC-AWEZNQCLSA-N 0 0 337.763 3.187 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000125272593 454809700 /nfs/dbraw/zinc/80/97/00/454809700.db2.gz MSLVDHRWRARXNE-QMMMGPOBSA-N 0 0 338.410 3.418 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000153705968 454823181 /nfs/dbraw/zinc/82/31/81/454823181.db2.gz IPDVJECFRQPMPO-OAHLLOKOSA-N 0 0 329.356 3.412 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000125502611 454828041 /nfs/dbraw/zinc/82/80/41/454828041.db2.gz ZWQPPJFENVXNRO-UHFFFAOYSA-N 0 0 349.350 3.032 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000110568866 454847904 /nfs/dbraw/zinc/84/79/04/454847904.db2.gz NJHAYWKNEATMPQ-PIGZYNQJSA-N 0 0 326.352 3.267 10 5 EGBERN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCC1(O)CCOCC1 ZINC000154077602 454863200 /nfs/dbraw/zinc/86/32/00/454863200.db2.gz RHCAZOQKJPDXPY-UHFFFAOYSA-N 0 0 329.352 3.182 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1C ZINC000147672485 454865607 /nfs/dbraw/zinc/86/56/07/454865607.db2.gz LUAMZOFIMWLBQJ-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1OC ZINC000147733510 454865823 /nfs/dbraw/zinc/86/58/23/454865823.db2.gz ISDAQSSBGNGVQB-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(N[C@H]1CCCn2ncnc21)c1cc2ccccc2c2cccnc12 ZINC000177565997 454878370 /nfs/dbraw/zinc/87/83/70/454878370.db2.gz LHUVEDJGMIPGSC-KRWDZBQOSA-N 0 0 343.390 3.244 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150789556 454892867 /nfs/dbraw/zinc/89/28/67/454892867.db2.gz LAFNBQQYMJSNFV-CVEARBPZSA-N 0 0 332.400 3.405 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NC3CC=CC3)cc2[N+](=O)[O-])C1 ZINC000154481834 454900612 /nfs/dbraw/zinc/90/06/12/454900612.db2.gz OWGPTNGGCMYDJW-ZDUSSCGKSA-N 0 0 329.400 3.280 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H](C(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000177803440 454907805 /nfs/dbraw/zinc/90/78/05/454907805.db2.gz APSAAZAORVMBFJ-JTQLQIEISA-N 0 0 346.305 3.469 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177811008 454908570 /nfs/dbraw/zinc/90/85/70/454908570.db2.gz KNGHKWDZUIHRFL-MRXNPFEDSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000154972688 454949741 /nfs/dbraw/zinc/94/97/41/454949741.db2.gz LOMJVZZMDUHMOG-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114441135 454954808 /nfs/dbraw/zinc/95/48/08/454954808.db2.gz HXCVGMOGLGXMIL-SFHVURJKSA-N 0 0 330.384 3.323 10 5 EGBERN O=[N+]([O-])c1cc(F)c(Sc2nnc(CN3CCCC3)o2)c(F)c1 ZINC000170684629 454955956 /nfs/dbraw/zinc/95/59/56/454955956.db2.gz HFBVGSFTFNWRMS-UHFFFAOYSA-N 0 0 342.327 3.003 10 5 EGBERN COCCn1ccc(NCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000114754898 454977372 /nfs/dbraw/zinc/97/73/72/454977372.db2.gz JHHAORRVQLTWOU-UHFFFAOYSA-N 0 0 349.390 3.401 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000151515063 454995748 /nfs/dbraw/zinc/99/57/48/454995748.db2.gz KKCAIGOTDWVJDE-GUYCJALGSA-N 0 0 333.388 3.062 10 5 EGBERN C[C@H](c1cccs1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151890973 455045290 /nfs/dbraw/zinc/04/52/90/455045290.db2.gz OFAWBABRNXMFEE-LLVKDONJSA-N 0 0 340.426 3.179 10 5 EGBERN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612553567 460658938 /nfs/dbraw/zinc/65/89/38/460658938.db2.gz DMYLHBQAHZYLEK-UWVGGRQHSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCc1ccccc1 ZINC000171316304 455061283 /nfs/dbraw/zinc/06/12/83/455061283.db2.gz NWLUZJAKAKWIOD-UHFFFAOYSA-N 0 0 327.384 3.439 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(CO)c(F)c1 ZINC000179828375 455085362 /nfs/dbraw/zinc/08/53/62/455085362.db2.gz AOKGRPFCDOZWMQ-UHFFFAOYSA-N 0 0 346.358 3.081 10 5 EGBERN Cc1cc(CN(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000172497319 455157839 /nfs/dbraw/zinc/15/78/39/455157839.db2.gz VZAUYCFZMCGRQA-UHFFFAOYSA-N 0 0 346.387 3.056 10 5 EGBERN COc1ccc2[nH]c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2c1 ZINC000189452969 455199462 /nfs/dbraw/zinc/19/94/62/455199462.db2.gz YUYSIINVXCOPAN-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000173523798 455300650 /nfs/dbraw/zinc/30/06/50/455300650.db2.gz NXIDYNCZHKONLE-NSHDSACASA-N 0 0 330.315 3.470 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000173594752 455313299 /nfs/dbraw/zinc/31/32/99/455313299.db2.gz XWEKQXSPPKGJFM-AWEZNQCLSA-N 0 0 344.371 3.007 10 5 EGBERN CC[C@H](CSC)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181458124 455337595 /nfs/dbraw/zinc/33/75/95/455337595.db2.gz SZIBTVJHKOLOBY-TZMCWYRMSA-N 0 0 325.434 3.487 10 5 EGBERN Cc1ccnn1-c1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000184339401 455372068 /nfs/dbraw/zinc/37/20/68/455372068.db2.gz GLOHWTFITHNRRD-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000190869634 455394350 /nfs/dbraw/zinc/39/43/50/455394350.db2.gz ADXNLFOFTULOKL-UHFFFAOYSA-N 0 0 333.369 3.260 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174528308 455400433 /nfs/dbraw/zinc/40/04/33/455400433.db2.gz ZZDJFQCHCGGOGA-QGZVFWFLSA-N 0 0 332.400 3.088 10 5 EGBERN CC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000175090232 455422303 /nfs/dbraw/zinc/42/23/03/455422303.db2.gz PRLDNRVHMCRAFF-UHFFFAOYSA-N 0 0 334.419 3.461 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000191090604 455440662 /nfs/dbraw/zinc/44/06/62/455440662.db2.gz CGSZUFDZJDAQQE-KAUXGEHWSA-N 0 0 344.411 3.416 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000191454063 455486590 /nfs/dbraw/zinc/48/65/90/455486590.db2.gz SCVMCDIBQPHYGW-IWERZKIRSA-N 0 0 346.431 3.146 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC000191497775 455491186 /nfs/dbraw/zinc/49/11/86/455491186.db2.gz AGRKAWIDWSFZSW-CYBMUJFWSA-N 0 0 342.399 3.252 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncccc2-c2ccccc2)n1 ZINC000191697199 455511017 /nfs/dbraw/zinc/51/10/17/455511017.db2.gz PEJBIFKTBQIOMO-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)n1 ZINC000191710637 455512323 /nfs/dbraw/zinc/51/23/23/455512323.db2.gz AWHQADOOOBHFIJ-MLGOLLRUSA-N 0 0 342.399 3.255 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000182512752 455529694 /nfs/dbraw/zinc/52/96/94/455529694.db2.gz UPUFDDMZXBYLER-MEBBXXQBSA-N 0 0 330.388 3.306 10 5 EGBERN COC(=O)CCCCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000267996170 455576482 /nfs/dbraw/zinc/57/64/82/455576482.db2.gz SNCGDVADZJQJHQ-UHFFFAOYSA-N 0 0 337.376 3.067 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185708523 455602113 /nfs/dbraw/zinc/60/21/13/455602113.db2.gz XFRGIDGNEOQYEV-NSHDSACASA-N 0 0 329.784 3.119 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)C1CCN(CC(F)(F)F)CC1 ZINC000192542053 455639146 /nfs/dbraw/zinc/63/91/46/455639146.db2.gz DYNVWDDEERXMIN-QMMMGPOBSA-N 0 0 338.355 3.126 10 5 EGBERN Cc1cccnc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601040397 460684450 /nfs/dbraw/zinc/68/44/50/460684450.db2.gz XKMWKXFPRYJNIU-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@H](CCc3ccccc3)C2)cs1 ZINC000186048791 455683977 /nfs/dbraw/zinc/68/39/77/455683977.db2.gz FXVGHSSBCOXEQJ-MRXNPFEDSA-N 0 0 332.425 3.490 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192868528 455708412 /nfs/dbraw/zinc/70/84/12/455708412.db2.gz BWTZXKJROHOIPJ-MLGOLLRUSA-N 0 0 326.352 3.312 10 5 EGBERN O=C(N[C@H]1CC[C@H](O)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277991440 455728865 /nfs/dbraw/zinc/72/88/65/455728865.db2.gz GVBATJQPHKGLHM-JOCQHMNTSA-N 0 0 336.391 3.127 10 5 EGBERN C[N@@H+]1CCC[C@@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292707419 455737029 /nfs/dbraw/zinc/73/70/29/455737029.db2.gz GLQAHOGZMSNABL-GOSISDBHSA-N 0 0 326.400 3.065 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cccs1 ZINC000193402994 455757873 /nfs/dbraw/zinc/75/78/73/455757873.db2.gz GPRQPDQIQXNCKM-SNVBAGLBSA-N 0 0 335.385 3.225 10 5 EGBERN O=[N+]([O-])c1ccc(OCCSCc2nc(CC3CC3)no2)cc1 ZINC000601062744 460694344 /nfs/dbraw/zinc/69/43/44/460694344.db2.gz YJPNLXOFYHQUQS-UHFFFAOYSA-N 0 0 335.385 3.243 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCSC[C@@H](C)C1 ZINC000278274592 455803933 /nfs/dbraw/zinc/80/39/33/455803933.db2.gz FQESHPVDAFUQKG-VIFPVBQESA-N 0 0 328.821 3.382 10 5 EGBERN CCCN(C(=O)C1CCC(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194122548 455804929 /nfs/dbraw/zinc/80/49/29/455804929.db2.gz CGXSGELUDFDUBJ-UHFFFAOYSA-N 0 0 348.399 3.317 10 5 EGBERN COCc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000186626002 455807501 /nfs/dbraw/zinc/80/75/01/455807501.db2.gz IZKFUNFCIAVDFZ-ZDUSSCGKSA-N 0 0 340.379 3.262 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnn2CCC(C)C)cc1[N+](=O)[O-] ZINC000612676844 460697431 /nfs/dbraw/zinc/69/74/31/460697431.db2.gz DCVQTALHHUUOTE-UHFFFAOYSA-N 0 0 346.387 3.488 10 5 EGBERN Cc1csc([C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000255427371 455867119 /nfs/dbraw/zinc/86/71/19/455867119.db2.gz TZTCOQZXFUPUOZ-DQOPKJQZSA-N 0 0 345.424 3.446 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000296466826 455946348 /nfs/dbraw/zinc/94/63/48/455946348.db2.gz BDVZILRDGVDZMT-UHFFFAOYSA-N 0 0 332.360 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cccc(C(=O)OC(C)(C)C)c2)c1=O ZINC000195501758 455970482 /nfs/dbraw/zinc/97/04/82/455970482.db2.gz SYFYFGMUHDUEFQ-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000286301815 456019440 /nfs/dbraw/zinc/01/94/40/456019440.db2.gz DQQISHRBRXSGFT-IAQYHMDHSA-N 0 0 340.807 3.228 10 5 EGBERN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCCOC1 ZINC000272678142 456035719 /nfs/dbraw/zinc/03/57/19/456035719.db2.gz KFTPMOWBPDKULT-ZDUSSCGKSA-N 0 0 343.177 3.113 10 5 EGBERN C[C@@H](CC(C)(C)O)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000296800902 456040684 /nfs/dbraw/zinc/04/06/84/456040684.db2.gz FBMBDDRGIIDEKQ-LBPRGKRZSA-N 0 0 338.407 3.373 10 5 EGBERN COCc1ccccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601103573 460710668 /nfs/dbraw/zinc/71/06/68/460710668.db2.gz YAQOXUFVKSVYSA-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN COC(=O)/C=C/c1ccc(Nc2cnn(CC(C)C)c2)c([N+](=O)[O-])c1 ZINC000301414808 456109913 /nfs/dbraw/zinc/10/99/13/456109913.db2.gz AMGIDCPLIIQPPK-FNORWQNLSA-N 0 0 344.371 3.377 10 5 EGBERN CCC[C@H]1C[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301426514 456112811 /nfs/dbraw/zinc/11/28/11/456112811.db2.gz GZOAIHOSRBHQJW-GXFFZTMASA-N 0 0 348.790 3.395 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(NC(C)=O)c2)c1 ZINC000301430267 456113802 /nfs/dbraw/zinc/11/38/02/456113802.db2.gz GDKAKVRJLGDZOW-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN Cc1sc(C(=O)NCCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000188723795 456121153 /nfs/dbraw/zinc/12/11/53/456121153.db2.gz AGCANJWZUNNKEE-UHFFFAOYSA-N 0 0 334.397 3.260 10 5 EGBERN Cc1csc([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601111718 460714847 /nfs/dbraw/zinc/71/48/47/460714847.db2.gz YUJJNSQCIIJKEM-ZCFIWIBFSA-N 0 0 335.311 3.285 10 5 EGBERN CCOc1cc(N[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301530121 456139919 /nfs/dbraw/zinc/13/99/19/456139919.db2.gz OYFJTBBDLOHYKO-HNNXBMFYSA-N 0 0 341.367 3.211 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000188814197 456144093 /nfs/dbraw/zinc/14/40/93/456144093.db2.gz SOXFKVNFSKDWOV-GFCCVEGCSA-N 0 0 344.371 3.498 10 5 EGBERN C[C@@H](c1ccccc1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271207095 456173894 /nfs/dbraw/zinc/17/38/94/456173894.db2.gz AMRMLOOGWVKRPZ-JTQLQIEISA-N 0 0 340.426 3.257 10 5 EGBERN Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)ccc1[N+](=O)[O-] ZINC000263658977 456183882 /nfs/dbraw/zinc/18/38/82/456183882.db2.gz BVFUWNVXMUQDDO-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN C[C@H](c1cccc(O)c1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601123596 460718777 /nfs/dbraw/zinc/71/87/77/460718777.db2.gz FXGORCUHTZZCOR-MRVPVSSYSA-N 0 0 344.293 3.250 10 5 EGBERN COc1ccc(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000189134167 456236202 /nfs/dbraw/zinc/23/62/02/456236202.db2.gz DEMJTULXPNWNGP-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN CC(C)(C)Oc1cc(N2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000301864309 456236512 /nfs/dbraw/zinc/23/65/12/456236512.db2.gz GRSYOXCHJXTFIH-UHFFFAOYSA-N 0 0 343.374 3.159 10 5 EGBERN CC(C)COc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301893568 456244112 /nfs/dbraw/zinc/24/41/12/456244112.db2.gz AQXUPMBPNRZWJU-UHFFFAOYSA-N 0 0 341.371 3.284 10 5 EGBERN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@H]1c1ccccc1 ZINC000301963431 456260694 /nfs/dbraw/zinc/26/06/94/456260694.db2.gz JBJINTSQSOXQTI-UKRRQHHQSA-N 0 0 337.383 3.268 10 5 EGBERN Cc1cc(NCCSCC(C)(C)O)c2cccc([N+](=O)[O-])c2n1 ZINC000302050204 456276678 /nfs/dbraw/zinc/27/66/78/456276678.db2.gz ZZZGMNWRXSKJAL-UHFFFAOYSA-N 0 0 335.429 3.367 10 5 EGBERN C[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000302066488 456279099 /nfs/dbraw/zinc/27/90/99/456279099.db2.gz ULFVQKSLIPHONW-SGTLLEGYSA-N 0 0 346.358 3.193 10 5 EGBERN CN(C[C@@H]1CCCO1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275775114 456310423 /nfs/dbraw/zinc/31/04/23/456310423.db2.gz HPEDIMAKYABXLW-AWEZNQCLSA-N 0 0 336.391 3.345 10 5 EGBERN COC(=O)c1cc(N2CCC([C@H]3CCCO3)CC2)cc(C)c1[N+](=O)[O-] ZINC000275780403 456311679 /nfs/dbraw/zinc/31/16/79/456311679.db2.gz BIXIKAKWZSRYRV-MRXNPFEDSA-N 0 0 348.399 3.085 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCCCO1 ZINC000275793533 456314835 /nfs/dbraw/zinc/31/48/35/456314835.db2.gz LIXVMHVCSHSVBI-GFCCVEGCSA-N 0 0 326.780 3.246 10 5 EGBERN CCC1(CC)CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[S@@]1=O ZINC000302226275 456321920 /nfs/dbraw/zinc/32/19/20/456321920.db2.gz SQBXVPBDJOOWAY-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccccc3C3(CC3)C2)c1 ZINC000302428343 456341814 /nfs/dbraw/zinc/34/18/14/456341814.db2.gz KNTMPURLYIYDEV-UHFFFAOYSA-N 0 0 338.363 3.433 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)c2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000340252108 456342045 /nfs/dbraw/zinc/34/20/45/456342045.db2.gz FUXFHSKLZHGBMU-QWHCGFSZSA-N 0 0 347.419 3.058 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000302656385 456370097 /nfs/dbraw/zinc/37/00/97/456370097.db2.gz ADXXSHWXYXDHLQ-CQSZACIVSA-N 0 0 327.340 3.266 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000352869556 456377638 /nfs/dbraw/zinc/37/76/38/456377638.db2.gz MFJWBZGEEPJIMZ-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000298162861 456378742 /nfs/dbraw/zinc/37/87/42/456378742.db2.gz DQZJHMGWSXZKGP-HIFRSBDPSA-N 0 0 342.399 3.323 10 5 EGBERN CC[C@@]1(C)CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000276098772 456387381 /nfs/dbraw/zinc/38/73/81/456387381.db2.gz FFESMAVEBCEFAD-HNNXBMFYSA-N 0 0 326.780 3.198 10 5 EGBERN O=C(CNc1cc(F)ccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000302790352 456401754 /nfs/dbraw/zinc/40/17/54/456401754.db2.gz GKOSSXQXGHKOLB-UHFFFAOYSA-N 0 0 329.331 3.125 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3C[C@H]3c3cccc(F)c3)cc2N1 ZINC000302846901 456415572 /nfs/dbraw/zinc/41/55/72/456415572.db2.gz GVOYAHHAMOASMA-NWDGAFQWSA-N 0 0 343.314 3.033 10 5 EGBERN Cc1cccc(NC(=O)CN(C)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000302843168 456416158 /nfs/dbraw/zinc/41/61/58/456416158.db2.gz FBMUPMBLHDTEFP-UHFFFAOYSA-N 0 0 331.347 3.426 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)=C(c3ccco3)C2)n1 ZINC000343159189 456442125 /nfs/dbraw/zinc/44/21/25/456442125.db2.gz OGHRMUHJBWUSSQ-UHFFFAOYSA-N 0 0 343.339 3.053 10 5 EGBERN COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000298395701 456443905 /nfs/dbraw/zinc/44/39/05/456443905.db2.gz LMXIRIIATGAPEF-UHFFFAOYSA-N 0 0 336.369 3.242 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000337673054 456473504 /nfs/dbraw/zinc/47/35/04/456473504.db2.gz YKYIHRJZLCYARR-INIZCTEOSA-N 0 0 335.310 3.081 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000348123001 456499604 /nfs/dbraw/zinc/49/96/04/456499604.db2.gz QBQUCKYQBGMEEX-ZIAGYGMSSA-N 0 0 326.352 3.279 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000353286606 456612485 /nfs/dbraw/zinc/61/24/85/456612485.db2.gz MEMLTIJFAFFWEX-MRXNPFEDSA-N 0 0 347.459 3.388 10 5 EGBERN COC(=O)c1cc(NC(=O)Cc2ccc(C)s2)c(C)c([N+](=O)[O-])c1 ZINC000276907585 456616338 /nfs/dbraw/zinc/61/63/38/456616338.db2.gz PNKCMVAZYOVKLM-UHFFFAOYSA-N 0 0 348.380 3.241 10 5 EGBERN CCOc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1Cl ZINC000340689934 456627655 /nfs/dbraw/zinc/62/76/55/456627655.db2.gz CABTWOWSQBGDTA-UHFFFAOYSA-N 0 0 349.734 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nccn2CCCc2ccccc2)cn1 ZINC000343457106 456633733 /nfs/dbraw/zinc/63/37/33/456633733.db2.gz HJGNWFGICFARIM-UHFFFAOYSA-N 0 0 337.383 3.431 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC000340720516 456647211 /nfs/dbraw/zinc/64/72/11/456647211.db2.gz YLXOHQLAZWPUOH-UHFFFAOYSA-N 0 0 338.161 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000338008204 456652516 /nfs/dbraw/zinc/65/25/16/456652516.db2.gz CRUDILGGHJLYDW-UHFFFAOYSA-N 0 0 338.367 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cccc2cccnc21 ZINC000338009005 456654329 /nfs/dbraw/zinc/65/43/29/456654329.db2.gz ARBYSKVKNSLMLA-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN O=C(CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000348436228 456686411 /nfs/dbraw/zinc/68/64/11/456686411.db2.gz DGCRQVRRVUXSSQ-UHFFFAOYSA-N 0 0 342.326 3.286 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1cccn1C ZINC000277182144 456713448 /nfs/dbraw/zinc/71/34/48/456713448.db2.gz ALZDCYRUTIEGHC-INIZCTEOSA-N 0 0 343.383 3.309 10 5 EGBERN Cc1noc([C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)n1 ZINC000291749161 456743007 /nfs/dbraw/zinc/74/30/07/456743007.db2.gz ZOIYMLWMYFGLPF-GFCCVEGCSA-N 0 0 339.355 3.218 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000299624892 456747297 /nfs/dbraw/zinc/74/72/97/456747297.db2.gz KVCNLUKBNKWJIV-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN Cc1ccc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301105345 456798339 /nfs/dbraw/zinc/79/83/39/456798339.db2.gz QCEOHTYOWXQFME-SECBINFHSA-N 0 0 333.369 3.469 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCCc4sccc43)cc2N1 ZINC000301201212 456820237 /nfs/dbraw/zinc/82/02/37/456820237.db2.gz WRQBFVQDMPICDC-JTQLQIEISA-N 0 0 345.380 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000277489157 456842407 /nfs/dbraw/zinc/84/24/07/456842407.db2.gz XAJZOJAHRJRKHZ-DYVFJYSZSA-N 0 0 328.368 3.455 10 5 EGBERN C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000341769549 456934957 /nfs/dbraw/zinc/93/49/57/456934957.db2.gz CNHVEPLYDIAAFB-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1n[nH]c(=O)c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C ZINC000341780415 456941654 /nfs/dbraw/zinc/94/16/54/456941654.db2.gz AQQNFHQZZHHYHP-UHFFFAOYSA-N 0 0 344.371 3.257 10 5 EGBERN CCc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-] ZINC000341827607 456961255 /nfs/dbraw/zinc/96/12/55/456961255.db2.gz MKMGEFYIZLZMBN-UHFFFAOYSA-N 0 0 326.356 3.152 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000339149624 456964664 /nfs/dbraw/zinc/96/46/64/456964664.db2.gz YEFMLOYEOSYBNQ-LBPRGKRZSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000356468900 457004751 /nfs/dbraw/zinc/00/47/51/457004751.db2.gz ZPBWVSUTMICROS-LBPRGKRZSA-N 0 0 340.788 3.082 10 5 EGBERN COCc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)o1 ZINC000356495122 457021038 /nfs/dbraw/zinc/02/10/38/457021038.db2.gz BSGQFCFKCUYTHF-UHFFFAOYSA-N 0 0 344.327 3.039 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1F ZINC000358900889 457032106 /nfs/dbraw/zinc/03/21/06/457032106.db2.gz WMUJZZPRICRGGR-UHFFFAOYSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330546983 457056008 /nfs/dbraw/zinc/05/60/08/457056008.db2.gz VLKKLBRARCUOKZ-VXGBXAGGSA-N 0 0 343.177 3.253 10 5 EGBERN C[C@@H](NC(=O)c1ccoc1Br)c1ccccc1[N+](=O)[O-] ZINC000362721582 457060736 /nfs/dbraw/zinc/06/07/36/457060736.db2.gz BOKVDRQGGSDIJJ-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN C[C@H](F)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000356702024 457124673 /nfs/dbraw/zinc/12/46/73/457124673.db2.gz MOAHFWDEZWNSRO-ZDUSSCGKSA-N 0 0 326.371 3.019 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000356740479 457143637 /nfs/dbraw/zinc/14/36/37/457143637.db2.gz ZWKXQNXSSWDEDI-CPCISQLKSA-N 0 0 327.178 3.194 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356754061 457151140 /nfs/dbraw/zinc/15/11/40/457151140.db2.gz ZTQJWLWMZCIBHE-GXSJLCMTSA-N 0 0 345.321 3.330 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@@H]1CC(C)C ZINC000331266832 457157577 /nfs/dbraw/zinc/15/75/77/457157577.db2.gz QSCRSWCWGBKRNR-ZDUSSCGKSA-N 0 0 340.807 3.444 10 5 EGBERN CC(=O)c1ccc(NCc2c3c(nn2C)CCCC3)c([N+](=O)[O-])c1 ZINC000359969257 457176967 /nfs/dbraw/zinc/17/69/67/457176967.db2.gz UFZSFFXLNGANNX-UHFFFAOYSA-N 0 0 328.372 3.022 10 5 EGBERN Cc1cnc(N[C@@H]2CCN(c3ncccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000342232698 457182844 /nfs/dbraw/zinc/18/28/44/457182844.db2.gz QPDLQATVEHGZGS-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN CC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342284334 457211922 /nfs/dbraw/zinc/21/19/22/457211922.db2.gz RNEZMMXDGYBSRQ-GFCCVEGCSA-N 0 0 341.367 3.087 10 5 EGBERN C[C@@H]1CSC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342318855 457234669 /nfs/dbraw/zinc/23/46/69/457234669.db2.gz MUXBBNQUIXYOAE-APPZFPTMSA-N 0 0 334.319 3.095 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000342331916 457240866 /nfs/dbraw/zinc/24/08/66/457240866.db2.gz XHBQZNVNDJXJQL-GFCCVEGCSA-N 0 0 345.399 3.056 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3c(C)cccc3Cl)n2)n1C ZINC000347134538 457247645 /nfs/dbraw/zinc/24/76/45/457247645.db2.gz DTLQDHBVOIMMJN-UHFFFAOYSA-N 0 0 347.762 3.239 10 5 EGBERN CSc1ccc(CSc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000360092803 457251473 /nfs/dbraw/zinc/25/14/73/457251473.db2.gz HINDKACPFJXLCX-UHFFFAOYSA-N 0 0 335.410 3.103 10 5 EGBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1nccs1 ZINC000342371956 457264133 /nfs/dbraw/zinc/26/41/33/457264133.db2.gz ICSGURYVAFAKMW-JTQLQIEISA-N 0 0 336.373 3.105 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCCOCCOc2ccccc2)n1 ZINC000354539093 457276817 /nfs/dbraw/zinc/27/68/17/457276817.db2.gz QNJMPWYPSWXNDP-UHFFFAOYSA-N 0 0 332.356 3.081 10 5 EGBERN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373883407 457384815 /nfs/dbraw/zinc/38/48/15/457384815.db2.gz XCLCYZKTUDEBNC-MJHDQNEOSA-N 0 0 347.758 3.025 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccncn3)C2)c(Cl)c1 ZINC000363716606 457425756 /nfs/dbraw/zinc/42/57/56/457425756.db2.gz YFOLILMUNDECPK-CYBMUJFWSA-N 0 0 332.791 3.418 10 5 EGBERN Cc1nc(-c2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n[nH]1 ZINC000357299816 457429317 /nfs/dbraw/zinc/42/93/17/457429317.db2.gz ONIBATIHRQWTFB-UHFFFAOYSA-N 0 0 348.322 3.405 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3coc(-c4ccccc4)n3)n2)nc1 ZINC000357305943 457433316 /nfs/dbraw/zinc/43/33/16/457433316.db2.gz ATXVAEXQFGEQLT-UHFFFAOYSA-N 0 0 349.306 3.286 10 5 EGBERN Cc1ccc(-c2noc(-c3ccc(-n4cncn4)cc3)n2)cc1[N+](=O)[O-] ZINC000355983447 457436231 /nfs/dbraw/zinc/43/62/31/457436231.db2.gz KKVRQJYYERLPQZ-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C3(c4ccc(F)cc4)CC3)n2)nc1 ZINC000357321609 457444456 /nfs/dbraw/zinc/44/44/56/457444456.db2.gz AJMARXNCNJZKLC-UHFFFAOYSA-N 0 0 340.314 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(Cl)c3F)n2)nc1 ZINC000357326357 457447061 /nfs/dbraw/zinc/44/70/61/457447061.db2.gz FYRKHSREWKDYOP-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN COc1ccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000352575918 457479079 /nfs/dbraw/zinc/47/90/79/457479079.db2.gz DNEZJMKNFHTGAU-SNVBAGLBSA-N 0 0 344.346 3.470 10 5 EGBERN CN(Cc1ccccc1F)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361019734 457515863 /nfs/dbraw/zinc/51/58/63/457515863.db2.gz CHUPBKJKZUGHNL-UHFFFAOYSA-N 0 0 338.285 3.213 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)c2cncc(F)c2)cc(C)c1[N+](=O)[O-] ZINC000357442319 457529315 /nfs/dbraw/zinc/52/93/15/457529315.db2.gz PGLRDWLOMTYHDX-JTQLQIEISA-N 0 0 333.319 3.397 10 5 EGBERN CCC(C)(C)c1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000357453644 457537784 /nfs/dbraw/zinc/53/77/84/457537784.db2.gz KFXSSMZYGYDBEI-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN C[C@H]1C[C@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490835 457562657 /nfs/dbraw/zinc/56/26/57/457562657.db2.gz XAFSCYGRHVYMEU-QWHCGFSZSA-N 0 0 346.387 3.305 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000364450020 457609127 /nfs/dbraw/zinc/60/91/27/457609127.db2.gz LHFBEFPJBASEHI-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c(OC)c1 ZINC000410361324 457637920 /nfs/dbraw/zinc/63/79/20/457637920.db2.gz DBNJQUJBGJFAAV-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COC(=O)c1cnc(N[C@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000357704951 457663635 /nfs/dbraw/zinc/66/36/35/457663635.db2.gz GSFMCOJYMBLBSW-SNVBAGLBSA-N 0 0 333.344 3.111 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000370514731 457664232 /nfs/dbraw/zinc/66/42/32/457664232.db2.gz OMNZQFPKOQMNHX-UHFFFAOYSA-N 0 0 343.358 3.224 10 5 EGBERN COCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[C@H](C)C1 ZINC000361247529 457665763 /nfs/dbraw/zinc/66/57/63/457665763.db2.gz XLYLXTLGZWCCRF-STQMWFEESA-N 0 0 345.399 3.353 10 5 EGBERN COc1ccc(F)cc1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357861323 457714974 /nfs/dbraw/zinc/71/49/74/457714974.db2.gz YDWLIQLRVDNEMP-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000410741796 457748353 /nfs/dbraw/zinc/74/83/53/457748353.db2.gz RMQIZRNCGXVQKI-BBBLOLIVSA-N 0 0 346.305 3.252 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000457574906 457750031 /nfs/dbraw/zinc/75/00/31/457750031.db2.gz KFJFJOHNFXDWDI-NSHDSACASA-N 0 0 347.337 3.410 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000426139415 457777959 /nfs/dbraw/zinc/77/79/59/457777959.db2.gz LNOSZTKZLZPCSK-MRXNPFEDSA-N 0 0 340.807 3.181 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000443713410 457805897 /nfs/dbraw/zinc/80/58/97/457805897.db2.gz WJZHEICELZBIPK-UHFFFAOYSA-N 0 0 334.397 3.178 10 5 EGBERN CC(C)CC[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785987 457811872 /nfs/dbraw/zinc/81/18/72/457811872.db2.gz DNPDAXSCRDZNOR-OAHLLOKOSA-N 0 0 340.445 3.325 10 5 EGBERN O=C(NCc1ccc2c(c1)COC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000433357608 457819646 /nfs/dbraw/zinc/81/96/46/457819646.db2.gz XZVAZZVZCALXHG-UHFFFAOYSA-N 0 0 337.335 3.036 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000458032324 457911342 /nfs/dbraw/zinc/91/13/42/457911342.db2.gz UHSBWCFFBRBISM-CABCVRRESA-N 0 0 342.399 3.220 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncnc2oc(C)c(C)c21 ZINC000427125949 457946369 /nfs/dbraw/zinc/94/63/69/457946369.db2.gz IZOLFLLXYQBSAJ-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1C ZINC000427278897 457970229 /nfs/dbraw/zinc/97/02/29/457970229.db2.gz DIYJQNBKTOWCME-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1csc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000444827974 457985451 /nfs/dbraw/zinc/98/54/51/457985451.db2.gz QEHXWRFGCYQKTI-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000371598705 458001380 /nfs/dbraw/zinc/00/13/80/458001380.db2.gz IMHSGHUDJSVMKC-NSHDSACASA-N 0 0 348.790 3.163 10 5 EGBERN CCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC(C)(C)C1 ZINC000411894691 458004966 /nfs/dbraw/zinc/00/49/66/458004966.db2.gz SEAQLUZPCSYYBO-UHFFFAOYSA-N 0 0 347.415 3.187 10 5 EGBERN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427982573 458060881 /nfs/dbraw/zinc/06/08/81/458060881.db2.gz HBUNTKLKZBCTBF-CYBMUJFWSA-N 0 0 325.368 3.417 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)s1 ZINC000369110773 458084920 /nfs/dbraw/zinc/08/49/20/458084920.db2.gz CSCAAZKYZQSSTQ-NSHDSACASA-N 0 0 342.384 3.178 10 5 EGBERN COC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000446112064 458150327 /nfs/dbraw/zinc/15/03/27/458150327.db2.gz MYHVXJGJYGDUKB-QGZVFWFLSA-N 0 0 346.358 3.170 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc2c1 ZINC000446496321 458192264 /nfs/dbraw/zinc/19/22/64/458192264.db2.gz RVSBNQVXWKMXIR-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446610490 458203810 /nfs/dbraw/zinc/20/38/10/458203810.db2.gz MUOIUVIWQILEPM-QJPTWQEYSA-N 0 0 338.429 3.345 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC([C@@H](F)c3ccccc3F)CC2)nc1 ZINC000376188260 458227792 /nfs/dbraw/zinc/22/77/92/458227792.db2.gz OOZXSKZFICVCEL-OAHLLOKOSA-N 0 0 334.326 3.451 10 5 EGBERN Cn1nccc1C1=CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000376234889 458243929 /nfs/dbraw/zinc/24/39/29/458243929.db2.gz LHEHGVWSSZLQMH-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000372269643 458255948 /nfs/dbraw/zinc/25/59/48/458255948.db2.gz DGMHNYZWBLHDLR-LBPRGKRZSA-N 0 0 344.298 3.074 10 5 EGBERN COc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000362562036 458271812 /nfs/dbraw/zinc/27/18/12/458271812.db2.gz QTYDFHBIKFMXJB-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](c2ccccc2)C1 ZINC000412691863 458272523 /nfs/dbraw/zinc/27/25/23/458272523.db2.gz MIBFPOYUSFITGZ-NWANDNLSSA-N 0 0 342.399 3.031 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000362568144 458274455 /nfs/dbraw/zinc/27/44/55/458274455.db2.gz RGXSDADNWWQOAS-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000376453383 458305156 /nfs/dbraw/zinc/30/51/56/458305156.db2.gz GABCYRZXOVULBK-HNNXBMFYSA-N 0 0 325.368 3.261 10 5 EGBERN CC(C)(C)Oc1cccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000447677904 458328902 /nfs/dbraw/zinc/32/89/02/458328902.db2.gz IDENZNBCHALLFP-UHFFFAOYSA-N 0 0 341.371 3.077 10 5 EGBERN CC(=O)c1ccc(N[C@@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000376924949 458422808 /nfs/dbraw/zinc/42/28/08/458422808.db2.gz AWIQYWFZTYQOAX-MRXNPFEDSA-N 0 0 337.339 3.117 10 5 EGBERN Cc1n[nH]c(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000437112064 458427567 /nfs/dbraw/zinc/42/75/67/458427567.db2.gz CHLXMKLLZFONAU-CQSZACIVSA-N 0 0 348.378 3.105 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(c2ccccn2)CC1 ZINC000377171879 458481952 /nfs/dbraw/zinc/48/19/52/458481952.db2.gz MXTKFTIBRNAUQE-UHFFFAOYSA-N 0 0 340.383 3.273 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OC(F)F)c1 ZINC000459985956 458495373 /nfs/dbraw/zinc/49/53/73/458495373.db2.gz JVXJOTMSTKPGDX-VIFPVBQESA-N 0 0 349.293 3.183 10 5 EGBERN COCC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000431235671 458545796 /nfs/dbraw/zinc/54/57/96/458545796.db2.gz LAAHLSOFMLXFSL-UHFFFAOYSA-N 0 0 343.177 3.031 10 5 EGBERN COC(=O)c1cc(N2CC(c3ccccc3F)C2)cc(C)c1[N+](=O)[O-] ZINC000461980742 458585464 /nfs/dbraw/zinc/58/54/64/458585464.db2.gz DWCLDJJLWVQXBA-UHFFFAOYSA-N 0 0 344.342 3.433 10 5 EGBERN CCCOc1ccc(Br)cc1Cn1nccc1[N+](=O)[O-] ZINC000462383687 458616200 /nfs/dbraw/zinc/61/62/00/458616200.db2.gz HIVFMCXPCZNUAW-UHFFFAOYSA-N 0 0 340.177 3.391 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000470172686 458621546 /nfs/dbraw/zinc/62/15/46/458621546.db2.gz AEPIEGHIXQVSDU-KRTGQEBJSA-N 0 0 346.427 3.266 10 5 EGBERN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1cccc(Cl)c1 ZINC000439128157 458659195 /nfs/dbraw/zinc/65/91/95/458659195.db2.gz DFSXTSCXEYUYRS-SECBINFHSA-N 0 0 344.758 3.492 10 5 EGBERN Cc1nn(Cc2noc(-c3ccccc3)n2)c2ccc([N+](=O)[O-])cc12 ZINC000432240396 458704091 /nfs/dbraw/zinc/70/40/91/458704091.db2.gz DJYDGVYOWNDGLK-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503479058 458710369 /nfs/dbraw/zinc/71/03/69/458710369.db2.gz XGKLOAROCPNGIA-UHFFFAOYSA-N 0 0 348.424 3.302 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295501 458715714 /nfs/dbraw/zinc/71/57/14/458715714.db2.gz QQBFESPNIIGILX-OAHLLOKOSA-N 0 0 349.362 3.130 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000456590226 458722779 /nfs/dbraw/zinc/72/27/79/458722779.db2.gz FGSMCFYBEGHGPV-OAHLLOKOSA-N 0 0 325.368 3.296 10 5 EGBERN O=C(Nc1ccc2c(n1)CCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456638965 458739024 /nfs/dbraw/zinc/73/90/24/458739024.db2.gz IZJHWZVQEFRZAQ-UHFFFAOYSA-N 0 0 349.293 3.332 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456699756 458756653 /nfs/dbraw/zinc/75/66/53/458756653.db2.gz SXPLYORUVXOBRO-QFBILLFUSA-N 0 0 346.427 3.193 10 5 EGBERN Cc1cc(N2CCOCC3(CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000530384107 458758666 /nfs/dbraw/zinc/75/86/66/458758666.db2.gz BDJBZWZAYAGAMD-UHFFFAOYSA-N 0 0 341.205 3.283 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000472124859 458769346 /nfs/dbraw/zinc/76/93/46/458769346.db2.gz VGPKEJQQTUIYFG-MFKMUULPSA-N 0 0 345.321 3.120 10 5 EGBERN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813119 458776332 /nfs/dbraw/zinc/77/63/32/458776332.db2.gz HCIROOPGUXRSMW-MNOVXSKESA-N 0 0 325.796 3.307 10 5 EGBERN CC(C)CCc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1 ZINC000456786921 458782113 /nfs/dbraw/zinc/78/21/13/458782113.db2.gz QITOLSVCXVCLCT-UHFFFAOYSA-N 0 0 345.403 3.149 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000457208309 458897934 /nfs/dbraw/zinc/89/79/34/458897934.db2.gz KTYWEUCAMQROSG-NSHDSACASA-N 0 0 331.372 3.011 10 5 EGBERN CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466903616 458931263 /nfs/dbraw/zinc/93/12/63/458931263.db2.gz XRUFGIQIVCWCNU-ONGXEEELSA-N 0 0 346.836 3.366 10 5 EGBERN CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466903613 458931274 /nfs/dbraw/zinc/93/12/74/458931274.db2.gz XRUFGIQIVCWCNU-GXSJLCMTSA-N 0 0 346.836 3.366 10 5 EGBERN COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000467002834 458943396 /nfs/dbraw/zinc/94/33/96/458943396.db2.gz DURSNIWBTZTFPP-CXAGYDPISA-N 0 0 328.368 3.468 10 5 EGBERN O=C1C[C@H](c2cccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CN1 ZINC000566475280 458944281 /nfs/dbraw/zinc/94/42/81/458944281.db2.gz XIOJPZIAMXEADT-SUMWQHHRSA-N 0 0 337.379 3.298 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475613137 458955049 /nfs/dbraw/zinc/95/50/49/458955049.db2.gz AIVHMUCSTRMLMD-POUQMFDLSA-N 0 0 346.427 3.268 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc([N+](=O)[O-])c1 ZINC000476184418 458983897 /nfs/dbraw/zinc/98/38/97/458983897.db2.gz YRZVPEPXRMSPDT-MRXNPFEDSA-N 0 0 326.352 3.384 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000476857477 459020028 /nfs/dbraw/zinc/02/00/28/459020028.db2.gz VSQZXJBNEFNNDO-JQWIXIFHSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@H]1C ZINC000557033261 459044181 /nfs/dbraw/zinc/04/41/81/459044181.db2.gz BBFYZVZCUIURNS-HTQZYQBOSA-N 0 0 327.178 3.289 10 5 EGBERN CC1(C2CC2)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000567092495 459045893 /nfs/dbraw/zinc/04/58/93/459045893.db2.gz LJFFKJHEDCMYTH-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H](COc2ccccc2)C1 ZINC000477790742 459059930 /nfs/dbraw/zinc/05/99/30/459059930.db2.gz KHLRLMDGSLYQGJ-OAHLLOKOSA-N 0 0 332.331 3.018 10 5 EGBERN COc1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594521320 459078454 /nfs/dbraw/zinc/07/84/54/459078454.db2.gz UCNWRAHLUGLPLI-RISCZKNCSA-N 0 0 348.321 3.193 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000557509735 459079444 /nfs/dbraw/zinc/07/94/44/459079444.db2.gz AWBJDPYCTLYHLU-LLVKDONJSA-N 0 0 347.346 3.421 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2c(Cl)ccc(F)c21 ZINC000532392139 459079731 /nfs/dbraw/zinc/07/97/31/459079731.db2.gz CFFPEBFBMOBYFA-UHFFFAOYSA-N 0 0 335.722 3.375 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178795 459097742 /nfs/dbraw/zinc/09/77/42/459097742.db2.gz BBSJFNOQIWHXLO-JXIYXGQPSA-N 0 0 348.443 3.452 10 5 EGBERN C[C@]12CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000590404419 459125031 /nfs/dbraw/zinc/12/50/31/459125031.db2.gz YIRJXQLJAWXKMG-MFKMUULPSA-N 0 0 330.718 3.366 10 5 EGBERN CC(=O)Nc1ccccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000578008636 459130381 /nfs/dbraw/zinc/13/03/81/459130381.db2.gz QKYVPRQUOQJFQK-UHFFFAOYSA-N 0 0 340.383 3.439 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594710746 459136344 /nfs/dbraw/zinc/13/63/44/459136344.db2.gz HRJWBYJUVKJKBD-LBPRGKRZSA-N 0 0 341.367 3.107 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1COc2ccccc21 ZINC000558344903 459147361 /nfs/dbraw/zinc/14/73/61/459147361.db2.gz PFJCICPIEXVFTD-LLVKDONJSA-N 0 0 346.770 3.463 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CNc1ccc(C(F)F)nc1)OCCO2 ZINC000594741718 459148888 /nfs/dbraw/zinc/14/88/88/459148888.db2.gz COCRSBIIQHZELV-UHFFFAOYSA-N 0 0 337.282 3.311 10 5 EGBERN CCc1nc([C@H]2CCCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000590686282 459181606 /nfs/dbraw/zinc/18/16/06/459181606.db2.gz XUVGZJUWMJBPNO-CYBMUJFWSA-N 0 0 342.359 3.148 10 5 EGBERN COC(=O)c1cc(N[C@@H](CO)C2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000533228660 459204276 /nfs/dbraw/zinc/20/42/76/459204276.db2.gz YMRPXEKMHQSBHE-HNNXBMFYSA-N 0 0 336.388 3.043 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000558842243 459216368 /nfs/dbraw/zinc/21/63/68/459216368.db2.gz USQKNWLHRIQFAK-CQSZACIVSA-N 0 0 329.404 3.356 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000481105592 459233882 /nfs/dbraw/zinc/23/38/82/459233882.db2.gz KANJRTLUWSRQHF-QGZVFWFLSA-N 0 0 332.379 3.427 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080158 459239348 /nfs/dbraw/zinc/23/93/48/459239348.db2.gz OEFFLJMHYXMAHX-DZGCQCFKSA-N 0 0 336.342 3.053 10 5 EGBERN COc1ccc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536669 459249341 /nfs/dbraw/zinc/24/93/41/459249341.db2.gz MYICEDZEEKCNIC-DJJJIMSYSA-N 0 0 342.395 3.427 10 5 EGBERN C[C@H](C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000559391296 459256096 /nfs/dbraw/zinc/25/60/96/459256096.db2.gz HSVVIUXDBZOIDK-BIENJYKASA-N 0 0 348.443 3.392 10 5 EGBERN Cc1cc(C(=O)NC2CCC(OC(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000590883857 459257961 /nfs/dbraw/zinc/25/79/61/459257961.db2.gz FNFLRGPMFFCSGF-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN O=C(NC1(Cc2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000590883656 459258394 /nfs/dbraw/zinc/25/83/94/459258394.db2.gz ACWIIMWNHOZIEJ-UHFFFAOYSA-N 0 0 331.759 3.148 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435724 459300546 /nfs/dbraw/zinc/30/05/46/459300546.db2.gz UKGRBTHSNJMWLS-OAHLLOKOSA-N 0 0 349.362 3.130 10 5 EGBERN CC(C)(C(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000482415902 459307370 /nfs/dbraw/zinc/30/73/70/459307370.db2.gz QITAOKCTJNGRJA-WMLDXEAASA-N 0 0 348.443 3.320 10 5 EGBERN C[C@H](NC(=O)N1CC2(CCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595480064 459317569 /nfs/dbraw/zinc/31/75/69/459317569.db2.gz HXRJDWMMSQHWBZ-STQMWFEESA-N 0 0 333.388 3.009 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](CO)c2ccc(F)cc2)ccc2ncccc21 ZINC000560328750 459323682 /nfs/dbraw/zinc/32/36/82/459323682.db2.gz POIKEJPBGLWBKI-MRXNPFEDSA-N 0 0 327.315 3.428 10 5 EGBERN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000568783209 459345944 /nfs/dbraw/zinc/34/59/44/459345944.db2.gz PRLWZTWHDIGKIG-DOTOQJQBSA-N 0 0 332.400 3.450 10 5 EGBERN CC1(C)CC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595584273 459355361 /nfs/dbraw/zinc/35/53/61/459355361.db2.gz CUXVJQOPLGKKJS-UHFFFAOYSA-N 0 0 325.796 3.279 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337603 459358698 /nfs/dbraw/zinc/35/86/98/459358698.db2.gz DTFLZCLOGHIGOY-SJKOYZFVSA-N 0 0 325.368 3.328 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccco2)CC1 ZINC000595614835 459368447 /nfs/dbraw/zinc/36/84/47/459368447.db2.gz JECFWMXZYAYFNF-ZDUSSCGKSA-N 0 0 343.383 3.394 10 5 EGBERN Cc1ccc(NCCCNC(=O)NC[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000525319820 459446927 /nfs/dbraw/zinc/44/69/27/459446927.db2.gz CQCRFLKVNMJBMQ-AWEZNQCLSA-N 0 0 336.436 3.297 10 5 EGBERN CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485395154 459452751 /nfs/dbraw/zinc/45/27/51/459452751.db2.gz LRCGWXXZDFQZBZ-CQSZACIVSA-N 0 0 333.363 3.037 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@@H](C4CC4)C3)o2)c1 ZINC000485697909 459465336 /nfs/dbraw/zinc/46/53/36/459465336.db2.gz QXZUNILDLOJLJA-GOSISDBHSA-N 0 0 328.368 3.466 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1Sc1nnc3ccccn31)CCCC2 ZINC000591889477 459469219 /nfs/dbraw/zinc/46/92/19/459469219.db2.gz QEHZHLWXPDJISN-UHFFFAOYSA-N 0 0 327.369 3.063 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000541616280 459474553 /nfs/dbraw/zinc/47/45/53/459474553.db2.gz QIBGEVRJSAWRLV-KRWDZBQOSA-N 0 0 347.415 3.086 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ccsc2[N+](=O)[O-])CCOCC1 ZINC000591970864 459501231 /nfs/dbraw/zinc/50/12/31/459501231.db2.gz CEYLOZVOVGEDKA-UHFFFAOYSA-N 0 0 342.417 3.207 10 5 EGBERN CC1(C)CCC[C@H]1[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000591982699 459504190 /nfs/dbraw/zinc/50/41/90/459504190.db2.gz PXCDIBVPKTXJAG-STQMWFEESA-N 0 0 329.404 3.290 10 5 EGBERN CC(C)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000591987898 459505308 /nfs/dbraw/zinc/50/53/08/459505308.db2.gz NMRAEZBYMVBYBH-CQSZACIVSA-N 0 0 348.321 3.203 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592074299 459520393 /nfs/dbraw/zinc/52/03/93/459520393.db2.gz VKDIOZZKKLOYHW-KLPPZKSPSA-N 0 0 337.376 3.071 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)o1 ZINC000569884090 459524806 /nfs/dbraw/zinc/52/48/06/459524806.db2.gz LOARGXJFMWJOTQ-UHFFFAOYSA-N 0 0 333.731 3.295 10 5 EGBERN CC(C)[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC12CC=CC2 ZINC000592104355 459524871 /nfs/dbraw/zinc/52/48/71/459524871.db2.gz UBKYYGYPPDLWOK-CYBMUJFWSA-N 0 0 342.442 3.022 10 5 EGBERN COC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000569898044 459526029 /nfs/dbraw/zinc/52/60/29/459526029.db2.gz CBCBBCJLSYJBMS-JTQLQIEISA-N 0 0 334.294 3.014 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000592113282 459526359 /nfs/dbraw/zinc/52/63/59/459526359.db2.gz OJNQQVGCHZSMOI-MRXNPFEDSA-N 0 0 338.429 3.079 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@@H]1CCCO1 ZINC000596175559 459548456 /nfs/dbraw/zinc/54/84/56/459548456.db2.gz UHABXYATRGKTHL-SKDRFNHKSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596186081 459554104 /nfs/dbraw/zinc/55/41/04/459554104.db2.gz HUJQXGDICFTZSC-JTQLQIEISA-N 0 0 342.779 3.406 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596191256 459555050 /nfs/dbraw/zinc/55/50/50/459555050.db2.gz MHEHZUGXQIKNAK-XLKFXECMSA-N 0 0 328.752 3.014 10 5 EGBERN CC(=O)N1CC[C@H](CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000596233785 459569384 /nfs/dbraw/zinc/56/93/84/459569384.db2.gz FKKJWLQYRGAOKI-LLVKDONJSA-N 0 0 345.321 3.202 10 5 EGBERN CCc1nc(SCc2ccc([N+](=O)[O-])c(OC)c2)[nH]c(=O)c1C ZINC000583641846 459573688 /nfs/dbraw/zinc/57/36/88/459573688.db2.gz FWQDQYYULQBCON-UHFFFAOYSA-N 0 0 335.385 3.262 10 5 EGBERN O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(CO)c(F)cn3)C2)cc1 ZINC000596255834 459575741 /nfs/dbraw/zinc/57/57/41/459575741.db2.gz YRCZQEQNPZKADI-ZDUSSCGKSA-N 0 0 331.347 3.005 10 5 EGBERN COC(=O)c1c(Cl)c(SCCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000596291080 459587008 /nfs/dbraw/zinc/58/70/08/459587008.db2.gz FXMUUDDMXRADOJ-UHFFFAOYSA-N 0 0 333.793 3.288 10 5 EGBERN O=C([O-])[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000592424609 459598141 /nfs/dbraw/zinc/59/81/41/459598141.db2.gz YNHREXHEBYWEOZ-OJLVUWQFSA-N 0 0 332.400 3.149 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000527184827 459603654 /nfs/dbraw/zinc/60/36/54/459603654.db2.gz JYFKLWPNRARWBL-WCBMZHEXSA-N 0 0 331.294 3.049 10 5 EGBERN C[S@](=O)[C@@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596365166 459608500 /nfs/dbraw/zinc/60/85/00/459608500.db2.gz HAJNYFJRHUYGPL-JCRSYGSLSA-N 0 0 333.413 3.245 10 5 EGBERN Cc1c(CC(=O)N2CCc3c2c(F)ccc3F)cccc1[N+](=O)[O-] ZINC000499006211 459616662 /nfs/dbraw/zinc/61/66/62/459616662.db2.gz ZUGDORRTDWEPOM-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN COc1cc(CSC[C@@H](OC)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000596389403 459618061 /nfs/dbraw/zinc/61/80/61/459618061.db2.gz PHKLPXYCGFZELC-MEBBXXQBSA-N 0 0 345.392 3.027 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Oc1cnc2c(cccc2OC)c1 ZINC000596437155 459635483 /nfs/dbraw/zinc/63/54/83/459635483.db2.gz MEFFIMIDLHXRGP-UHFFFAOYSA-N 0 0 328.328 3.469 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000596450366 459640715 /nfs/dbraw/zinc/64/07/15/459640715.db2.gz UTCUICQBIJUORV-UHFFFAOYSA-N 0 0 335.404 3.328 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000596453664 459641596 /nfs/dbraw/zinc/64/15/96/459641596.db2.gz JPQCGAGEJXGGPV-JQFCIGGWSA-N 0 0 349.431 3.238 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000596458025 459644084 /nfs/dbraw/zinc/64/40/84/459644084.db2.gz QTLOYKRGBLVJTF-OAHLLOKOSA-N 0 0 329.356 3.284 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000573239315 459647861 /nfs/dbraw/zinc/64/78/61/459647861.db2.gz IJGJIHICARLFAG-UHFFFAOYSA-N 0 0 331.372 3.427 10 5 EGBERN Cc1cc(NC[C@]2(C)CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596476349 459650373 /nfs/dbraw/zinc/65/03/73/459650373.db2.gz HMTSGTIHAZUFNN-HNNXBMFYSA-N 0 0 334.326 3.239 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596475787 459650524 /nfs/dbraw/zinc/65/05/24/459650524.db2.gz DHYPCNJPBKFYED-AWEZNQCLSA-N 0 0 327.331 3.190 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596482240 459652152 /nfs/dbraw/zinc/65/21/52/459652152.db2.gz HUQHUZPRTFXHNU-IRXDYDNUSA-N 0 0 343.383 3.475 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596482273 459652186 /nfs/dbraw/zinc/65/21/86/459652186.db2.gz IJCGRXVBZCJCFE-IRXDYDNUSA-N 0 0 343.383 3.475 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000596484646 459653536 /nfs/dbraw/zinc/65/35/36/459653536.db2.gz WVVQRLOAQMNNHN-GOSISDBHSA-N 0 0 344.415 3.296 10 5 EGBERN C[C@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000596483942 459653619 /nfs/dbraw/zinc/65/36/19/459653619.db2.gz QZSYSYIDADXHHG-KSSFIOAISA-N 0 0 325.368 3.130 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([C@@H]4CCCCO4)C3)nc2c1 ZINC000596502024 459658741 /nfs/dbraw/zinc/65/87/41/459658741.db2.gz GAIZVPHSCMBGSK-LRDDRELGSA-N 0 0 330.388 3.257 10 5 EGBERN COc1c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592678688 459663602 /nfs/dbraw/zinc/66/36/02/459663602.db2.gz AWDWCLQXFWUBSD-UKRRQHHQSA-N 0 0 326.352 3.137 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](C1CCC1)C1CCCC1 ZINC000592680149 459664358 /nfs/dbraw/zinc/66/43/58/459664358.db2.gz DIBWMOSBYTTXRB-GOSISDBHSA-N 0 0 332.400 3.449 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC[C@@H](C4CCC4)C3)c([N+](=O)[O-])cc21 ZINC000596524487 459666078 /nfs/dbraw/zinc/66/60/78/459666078.db2.gz BVEIHEUSPZABTN-GFCCVEGCSA-N 0 0 328.372 3.260 10 5 EGBERN CC(=O)c1ccc(NCC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000596528053 459667060 /nfs/dbraw/zinc/66/70/60/459667060.db2.gz MVOYEITZUAWEGL-UHFFFAOYSA-N 0 0 328.315 3.150 10 5 EGBERN COC(=O)c1cc(N2CCC(c3ccon3)CC2)cc(C)c1[N+](=O)[O-] ZINC000596528888 459667878 /nfs/dbraw/zinc/66/78/78/459667878.db2.gz MTXUEPQNIFZWPU-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000592697828 459669925 /nfs/dbraw/zinc/66/99/25/459669925.db2.gz ZIEBEQHGVODVGH-BETUJISGSA-N 0 0 334.416 3.335 10 5 EGBERN COc1cc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596554973 459675064 /nfs/dbraw/zinc/67/50/64/459675064.db2.gz NNDKQKOUYHFECX-MWLCHTKSSA-N 0 0 334.294 3.150 10 5 EGBERN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](CC(F)(F)F)O1 ZINC000596556258 459675485 /nfs/dbraw/zinc/67/54/85/459675485.db2.gz XHKATMRKGZCLNG-UWVGGRQHSA-N 0 0 345.321 3.109 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592738252 459680652 /nfs/dbraw/zinc/68/06/52/459680652.db2.gz XWVNNQVOYSSBQL-KBVBSXBZSA-N 0 0 339.189 3.276 10 5 EGBERN Cc1ccn([C@@H](C)Cc2nc(-c3cccc([N+](=O)[O-])c3C)no2)n1 ZINC000596601162 459693576 /nfs/dbraw/zinc/69/35/76/459693576.db2.gz PCROREKSKVTSDX-NSHDSACASA-N 0 0 327.344 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000596639578 459710431 /nfs/dbraw/zinc/71/04/31/459710431.db2.gz WNOVAPIAWOJGRT-BXKDBHETSA-N 0 0 347.293 3.087 10 5 EGBERN COC(=O)C[C@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647870 459713433 /nfs/dbraw/zinc/71/34/33/459713433.db2.gz XLDCUAPIDZJQAX-ZDUSSCGKSA-N 0 0 343.379 3.463 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000563295279 459757685 /nfs/dbraw/zinc/75/76/85/459757685.db2.gz JSSXRQOFDBSUGN-ZWNOBZJWSA-N 0 0 336.413 3.336 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000596823927 459771300 /nfs/dbraw/zinc/77/13/00/459771300.db2.gz SRYOWYVTGWCHSG-PBHICJAKSA-N 0 0 349.431 3.472 10 5 EGBERN COCC1(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000596830141 459772890 /nfs/dbraw/zinc/77/28/90/459772890.db2.gz ZBDCYHJDJMRQDK-UHFFFAOYSA-N 0 0 337.376 3.074 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000596837391 459774380 /nfs/dbraw/zinc/77/43/80/459774380.db2.gz UFJQUUBKNUDYMO-CXAGYDPISA-N 0 0 343.383 3.455 10 5 EGBERN COc1cc2c(cc1OC)[C@@H](C[N+](=O)[O-])N(Cc1ccccc1)CC2 ZINC000584606137 459775209 /nfs/dbraw/zinc/77/52/09/459775209.db2.gz GNDPILCPDHSZEJ-QGZVFWFLSA-N 0 0 342.395 3.080 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000596843108 459777033 /nfs/dbraw/zinc/77/70/33/459777033.db2.gz PIUBBUDEFUVMKZ-BXKDBHETSA-N 0 0 347.293 3.087 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2ccon2)CC1 ZINC000596843291 459777151 /nfs/dbraw/zinc/77/71/51/459777151.db2.gz JEFTVJQLBXGGAL-UHFFFAOYSA-N 0 0 346.343 3.003 10 5 EGBERN COc1ccnc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1F ZINC000596865836 459781284 /nfs/dbraw/zinc/78/12/84/459781284.db2.gz JAKJFLNRQQOHJM-UHFFFAOYSA-N 0 0 348.334 3.076 10 5 EGBERN COc1ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000596878124 459785329 /nfs/dbraw/zinc/78/53/29/459785329.db2.gz XCNVWEIRTRAFFS-UHFFFAOYSA-N 0 0 334.294 3.198 10 5 EGBERN C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593219744 459810812 /nfs/dbraw/zinc/81/08/12/459810812.db2.gz XKEKLDRFQBGBJX-GFCCVEGCSA-N 0 0 331.397 3.243 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593279534 459827924 /nfs/dbraw/zinc/82/79/24/459827924.db2.gz IDYCYTZREOCITI-KSZLIROESA-N 0 0 344.411 3.020 10 5 EGBERN COCc1ccnc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000593291426 459831773 /nfs/dbraw/zinc/83/17/73/459831773.db2.gz OMOJSFIFGYXBBR-NSHDSACASA-N 0 0 330.344 3.019 10 5 EGBERN COC1CCC(Cc2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000593298949 459833477 /nfs/dbraw/zinc/83/34/77/459833477.db2.gz DJPLOFMOWMBDAM-UHFFFAOYSA-N 0 0 349.362 3.455 10 5 EGBERN Nc1c(NC(=O)NCCC2CC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090364 459835291 /nfs/dbraw/zinc/83/52/91/459835291.db2.gz KOKMPVSFPHKOJY-UHFFFAOYSA-N 0 0 348.737 3.387 10 5 EGBERN Nc1c(NC(=O)NCC2CCSCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095340 459836304 /nfs/dbraw/zinc/83/63/04/459836304.db2.gz UANQXQXCZWIECG-UHFFFAOYSA-N 0 0 344.824 3.095 10 5 EGBERN C[C@H]1CSCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096400 459836602 /nfs/dbraw/zinc/83/66/02/459836602.db2.gz JJOITKORYBXTLY-MRVPVSSYSA-N 0 0 344.824 3.047 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3c(C)cc(C)cc32)c1 ZINC000593315499 459838966 /nfs/dbraw/zinc/83/89/66/459838966.db2.gz HOXSBAQVEJYYRI-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000574620977 459843028 /nfs/dbraw/zinc/84/30/28/459843028.db2.gz XMNVDDLHDGYVIT-CYBMUJFWSA-N 0 0 330.388 3.350 10 5 EGBERN C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593328691 459845306 /nfs/dbraw/zinc/84/53/06/459845306.db2.gz SJUPTRMNQFSVNI-AWEZNQCLSA-N 0 0 340.379 3.162 10 5 EGBERN COC(=O)C[C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000598272758 459845512 /nfs/dbraw/zinc/84/55/12/459845512.db2.gz YOKMYKFYLOORDK-CQSZACIVSA-N 0 0 348.399 3.037 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000598297627 459852414 /nfs/dbraw/zinc/85/24/14/459852414.db2.gz ZQVBBUWERPGJHQ-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000598298638 459852961 /nfs/dbraw/zinc/85/29/61/459852961.db2.gz KLVVHZNIGGLIPB-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598309331 459859879 /nfs/dbraw/zinc/85/98/79/459859879.db2.gz ONJSXYSMBGDOAE-PBHICJAKSA-N 0 0 332.400 3.325 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593360281 459862693 /nfs/dbraw/zinc/86/26/93/459862693.db2.gz SXEMTKSHKSPQIQ-QMTHXVAHSA-N 0 0 342.367 3.333 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](O)C(F)(F)C3)o2)c1 ZINC000597187544 459868256 /nfs/dbraw/zinc/86/82/56/459868256.db2.gz NTBOVROHLMYGPC-HNNXBMFYSA-N 0 0 338.310 3.057 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000598348074 459873940 /nfs/dbraw/zinc/87/39/40/459873940.db2.gz IIXGOOALOCTXRI-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000598351929 459876163 /nfs/dbraw/zinc/87/61/63/459876163.db2.gz OPIMUFNUGIOTGG-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598353416 459877423 /nfs/dbraw/zinc/87/74/23/459877423.db2.gz SNDLFUIAHQWDCN-MOPGFXCFSA-N 0 0 342.395 3.012 10 5 EGBERN C[C@]12COC[C@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212615 459878984 /nfs/dbraw/zinc/87/89/84/459878984.db2.gz VXFQSFRKIACOAJ-KDOFPFPSSA-N 0 0 328.368 3.323 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000598365838 459879981 /nfs/dbraw/zinc/87/99/81/459879981.db2.gz ZRQALEXMUSWINF-UHFFFAOYSA-N 0 0 326.352 3.125 10 5 EGBERN COc1cc(C(=O)N[C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])cc1F ZINC000598367646 459881251 /nfs/dbraw/zinc/88/12/51/459881251.db2.gz VQXHOECQNMMASN-KPPDAEKUSA-N 0 0 342.342 3.389 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000608781441 459882174 /nfs/dbraw/zinc/88/21/74/459882174.db2.gz RLPHRLKILOFIFA-LLVKDONJSA-N 0 0 332.447 3.294 10 5 EGBERN COc1cccnc1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000586834245 459884035 /nfs/dbraw/zinc/88/40/35/459884035.db2.gz UCYUYSREVJZZLE-UHFFFAOYSA-N 0 0 343.383 3.477 10 5 EGBERN CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000598381033 459884359 /nfs/dbraw/zinc/88/43/59/459884359.db2.gz IXLWANLXNLWVJC-QGZVFWFLSA-N 0 0 343.383 3.073 10 5 EGBERN COc1ccccc1CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000608831688 459889165 /nfs/dbraw/zinc/88/91/65/459889165.db2.gz BTGGHQYVEFCYAW-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000598397805 459889203 /nfs/dbraw/zinc/88/92/03/459889203.db2.gz AEEAIFHXYDVJJL-CYBMUJFWSA-N 0 0 348.399 3.264 10 5 EGBERN Nc1cc(NCc2c(F)cccc2Cl)cc(CO)c1[N+](=O)[O-] ZINC000587560624 459892855 /nfs/dbraw/zinc/89/28/55/459892855.db2.gz OWWUJKBALHKTJM-UHFFFAOYSA-N 0 0 325.727 3.074 10 5 EGBERN Cc1[nH]c2ccccc2c1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587797089 459895484 /nfs/dbraw/zinc/89/54/84/459895484.db2.gz IVENANYHRCALSA-UHFFFAOYSA-N 0 0 340.383 3.114 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@@]12CCCO2 ZINC000593468349 459897934 /nfs/dbraw/zinc/89/79/34/459897934.db2.gz SENLYUZBUOFXKA-KSZLIROESA-N 0 0 343.383 3.282 10 5 EGBERN CCS[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587991583 459899338 /nfs/dbraw/zinc/89/93/38/459899338.db2.gz WSJQQICVNPDHDR-WCQYABFASA-N 0 0 325.434 3.146 10 5 EGBERN Nc1cc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587994331 459899851 /nfs/dbraw/zinc/89/98/51/459899851.db2.gz VQJUVXUIWXNFCX-ONGXEEELSA-N 0 0 347.337 3.450 10 5 EGBERN C[C@H]1[C@H](c2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587994017 459900090 /nfs/dbraw/zinc/90/00/90/459900090.db2.gz KDLLBBRGXBXCRA-BLLLJJGKSA-N 0 0 327.384 3.052 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598457823 459903108 /nfs/dbraw/zinc/90/31/08/459903108.db2.gz PNBNRIGGBJSFOI-JTQLQIEISA-N 0 0 346.305 3.159 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000597282231 459903178 /nfs/dbraw/zinc/90/31/78/459903178.db2.gz IRJCXNSFNJEILV-AWEZNQCLSA-N 0 0 345.399 3.293 10 5 EGBERN C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC12CCCCC2 ZINC000588018303 459903593 /nfs/dbraw/zinc/90/35/93/459903593.db2.gz YFVYXZATTBJCOV-CYBMUJFWSA-N 0 0 333.432 3.466 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CC3)C3CCOCC3)cc2N1 ZINC000593490324 459905315 /nfs/dbraw/zinc/90/53/15/459905315.db2.gz BAWOXHNDWVOWOT-SFHVURJKSA-N 0 0 345.399 3.097 10 5 EGBERN COc1ccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000598469000 459905376 /nfs/dbraw/zinc/90/53/76/459905376.db2.gz JIFTWWJIBVJCTG-HNNXBMFYSA-N 0 0 340.379 3.405 10 5 EGBERN CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609122132 459906001 /nfs/dbraw/zinc/90/60/01/459906001.db2.gz NIXPWNBYYYBZIW-MNOVXSKESA-N 0 0 332.447 3.294 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nc1 ZINC000593519514 459914303 /nfs/dbraw/zinc/91/43/03/459914303.db2.gz FEUAMOCHBFYYGU-ULQDDVLXSA-N 0 0 325.368 3.489 10 5 EGBERN CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545752 459920751 /nfs/dbraw/zinc/92/07/51/459920751.db2.gz QEZSGTNBDCIGGV-MRXNPFEDSA-N 0 0 349.412 3.008 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC2CC(C)(C)C2)c1 ZINC000598505667 459924852 /nfs/dbraw/zinc/92/48/52/459924852.db2.gz YIHSWFAGXSOQLZ-UHFFFAOYSA-N 0 0 342.399 3.066 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000598509970 459925930 /nfs/dbraw/zinc/92/59/30/459925930.db2.gz VSRDQQCUAWCYND-MNOVXSKESA-N 0 0 346.305 3.085 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000588180080 459926121 /nfs/dbraw/zinc/92/61/21/459926121.db2.gz HCSOAXFZHXILRI-JTQLQIEISA-N 0 0 349.131 3.275 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598540617 459933671 /nfs/dbraw/zinc/93/36/71/459933671.db2.gz QWAURHVAYQMQJJ-DYVFJYSZSA-N 0 0 342.395 3.111 10 5 EGBERN COCC1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000598554243 459936596 /nfs/dbraw/zinc/93/65/96/459936596.db2.gz JPDAGKARVHKNQF-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN CSc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000588272533 459940886 /nfs/dbraw/zinc/94/08/86/459940886.db2.gz LRBIMFUTJOQWOS-UHFFFAOYSA-N 0 0 346.412 3.418 10 5 EGBERN C[C@H](C1CC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597406364 459942618 /nfs/dbraw/zinc/94/26/18/459942618.db2.gz IERSLTWIESSXPQ-GFCCVEGCSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597408754 459943019 /nfs/dbraw/zinc/94/30/19/459943019.db2.gz OGEAFSOLOJUSRJ-LBPRGKRZSA-N 0 0 327.388 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000598576106 459946445 /nfs/dbraw/zinc/94/64/45/459946445.db2.gz YZOKXPOZJAQVIS-ZDUSSCGKSA-N 0 0 326.352 3.499 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CC2(F)F)c(F)c1N1CCOCC1 ZINC000598640365 459973392 /nfs/dbraw/zinc/97/33/92/459973392.db2.gz ZKRLNAPBIDTDSV-JTQLQIEISA-N 0 0 345.321 3.028 10 5 EGBERN CCOc1cc(C(=O)N2CCC23CCCC3)c([N+](=O)[O-])cc1OC ZINC000593758344 459976939 /nfs/dbraw/zinc/97/69/39/459976939.db2.gz ABGGSYIOUFFXBL-UHFFFAOYSA-N 0 0 334.372 3.161 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000593761635 459978168 /nfs/dbraw/zinc/97/81/68/459978168.db2.gz MIFSGTRZIBYIEW-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677219 459987287 /nfs/dbraw/zinc/98/72/87/459987287.db2.gz NGDDOYIYPUVMLS-OCCSQVGLSA-N 0 0 336.342 3.053 10 5 EGBERN O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000609581211 459988004 /nfs/dbraw/zinc/98/80/04/459988004.db2.gz RBTQWINSKGPBBY-UHFFFAOYSA-N 0 0 343.314 3.091 10 5 EGBERN C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588851074 459992000 /nfs/dbraw/zinc/99/20/00/459992000.db2.gz CXYWJPMTWWVOJE-ZUZCIYMTSA-N 0 0 326.343 3.453 10 5 EGBERN CSc1ccc(C(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000609623265 459996894 /nfs/dbraw/zinc/99/68/94/459996894.db2.gz ZVPZFHMXZQGCEO-UHFFFAOYSA-N 0 0 328.353 3.217 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC2(CC2)C1 ZINC000597572237 459997936 /nfs/dbraw/zinc/99/79/36/459997936.db2.gz XGJUTAFYAFHFHH-NSHDSACASA-N 0 0 328.372 3.058 10 5 EGBERN CC1=CC[C@](C)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000597575111 459998311 /nfs/dbraw/zinc/99/83/11/459998311.db2.gz LFWSFICEQPJFEB-KRWDZBQOSA-N 0 0 332.404 3.091 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609675087 460007210 /nfs/dbraw/zinc/00/72/10/460007210.db2.gz TUESRHBSYHTIKV-UHFFFAOYSA-N 0 0 337.376 3.131 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(Oc2ccccc2)C1 ZINC000618448498 460013565 /nfs/dbraw/zinc/01/35/65/460013565.db2.gz ZOSAZIKESJBWHC-UHFFFAOYSA-N 0 0 346.770 3.460 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCc3ccccc3N2)c1 ZINC000593917351 460017045 /nfs/dbraw/zinc/01/70/45/460017045.db2.gz UUPUIAVGGDEJJC-OAHLLOKOSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1ccccc1[N+](=O)[O-] ZINC000593916869 460017130 /nfs/dbraw/zinc/01/71/30/460017130.db2.gz SSRRHSFYYOSTRG-AWEZNQCLSA-N 0 0 325.368 3.142 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000575859517 460018804 /nfs/dbraw/zinc/01/88/04/460018804.db2.gz MKRLIFCGVWEYEE-CQSZACIVSA-N 0 0 346.427 3.412 10 5 EGBERN C[C@H](Cc1ccco1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597660059 460019999 /nfs/dbraw/zinc/01/99/99/460019999.db2.gz UUIPGYNWSBVHQC-GFCCVEGCSA-N 0 0 341.367 3.207 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593952215 460025176 /nfs/dbraw/zinc/02/51/76/460025176.db2.gz SFFLKDSNQWBSCX-UHFFFAOYSA-N 0 0 348.399 3.386 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598777010 460030031 /nfs/dbraw/zinc/03/00/31/460030031.db2.gz LUXMWQFDFRWKEZ-QMMMGPOBSA-N 0 0 338.232 3.389 10 5 EGBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC(CC2CC2)C1 ZINC000598779012 460030923 /nfs/dbraw/zinc/03/09/23/460030923.db2.gz RLSJSGPJXGWXQB-UHFFFAOYSA-N 0 0 343.427 3.070 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000597725199 460039509 /nfs/dbraw/zinc/03/95/09/460039509.db2.gz SWIZOSADUWRURZ-HLLBOEOZSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000598801214 460040559 /nfs/dbraw/zinc/04/05/59/460040559.db2.gz JUAOODRUSCRBSP-AWEZNQCLSA-N 0 0 334.372 3.210 10 5 EGBERN CC(C)(C)n1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000593988753 460042295 /nfs/dbraw/zinc/04/22/95/460042295.db2.gz FLVJSRGGQMFABD-UHFFFAOYSA-N 0 0 330.388 3.211 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187278 460047989 /nfs/dbraw/zinc/04/79/89/460047989.db2.gz UVJBAGSAFLXCJL-YBGXSUTOSA-N 0 0 330.306 3.260 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051272 460056680 /nfs/dbraw/zinc/05/66/80/460056680.db2.gz FCOKDSYZHJYKCC-QWRGUYRKSA-N 0 0 328.796 3.424 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594053509 460075511 /nfs/dbraw/zinc/07/55/11/460075511.db2.gz BODAMAITPHZVMP-JKSUJKDBSA-N 0 0 333.388 3.372 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610191184 460077516 /nfs/dbraw/zinc/07/75/16/460077516.db2.gz WQTRSXJCFLDYSD-IEBWSBKVSA-N 0 0 340.379 3.454 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610191185 460078148 /nfs/dbraw/zinc/07/81/48/460078148.db2.gz WQTRSXJCFLDYSD-MJGOQNOKSA-N 0 0 340.379 3.454 10 5 EGBERN CCOc1cc(C(=O)N[C@](C)(CC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000598873252 460078567 /nfs/dbraw/zinc/07/85/67/460078567.db2.gz XIQLLXGJQOTYDE-QGZVFWFLSA-N 0 0 336.388 3.311 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3cc(Cl)ccc32)n1 ZINC000598876292 460080005 /nfs/dbraw/zinc/08/00/05/460080005.db2.gz XVKRBQFLYARAKR-UHFFFAOYSA-N 0 0 348.790 3.448 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597864312 460085741 /nfs/dbraw/zinc/08/57/41/460085741.db2.gz MRKNIHFQVKLGFG-ZDUSSCGKSA-N 0 0 327.384 3.187 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594078840 460090723 /nfs/dbraw/zinc/09/07/23/460090723.db2.gz MSLROTZMGRIVRN-LBPRGKRZSA-N 0 0 339.392 3.176 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000610237342 460092161 /nfs/dbraw/zinc/09/21/61/460092161.db2.gz SRRXJWXPSLXRKK-INIZCTEOSA-N 0 0 342.399 3.147 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H](C)C(=O)OC(C)(C)C ZINC000597879709 460093459 /nfs/dbraw/zinc/09/34/59/460093459.db2.gz SNFOSVJWOQEDFF-GFCCVEGCSA-N 0 0 336.388 3.096 10 5 EGBERN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000597883822 460094180 /nfs/dbraw/zinc/09/41/80/460094180.db2.gz HHRVKEAYUFGGLL-CQSZACIVSA-N 0 0 331.347 3.188 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000589515154 460098225 /nfs/dbraw/zinc/09/82/25/460098225.db2.gz LRMUNDLUAYFRBV-SNVBAGLBSA-N 0 0 346.305 3.156 10 5 EGBERN Cc1c(CN2Cc3ccccc3NC(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598948636 460099056 /nfs/dbraw/zinc/09/90/56/460099056.db2.gz IJGDJFJKARSHLE-ZDUSSCGKSA-N 0 0 325.368 3.246 10 5 EGBERN Cn1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnc1C1CC1 ZINC000597897208 460099508 /nfs/dbraw/zinc/09/95/08/460099508.db2.gz LEGPVRLIILURGZ-UHFFFAOYSA-N 0 0 343.368 3.068 10 5 EGBERN Cc1noc(CN(C)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000594106461 460102583 /nfs/dbraw/zinc/10/25/83/460102583.db2.gz XPGNGULLUAROPN-UHFFFAOYSA-N 0 0 347.375 3.248 10 5 EGBERN O=C(CC1CCC(F)(F)CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000598980807 460114665 /nfs/dbraw/zinc/11/46/65/460114665.db2.gz XFRIFMCPKMWKBQ-UHFFFAOYSA-N 0 0 341.358 3.339 10 5 EGBERN C[C@H]1CC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000589638051 460118166 /nfs/dbraw/zinc/11/81/66/460118166.db2.gz OUTGWYBGTIWKBH-MQMHXKEQSA-N 0 0 344.415 3.497 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000594137893 460121790 /nfs/dbraw/zinc/12/17/90/460121790.db2.gz AJKUIOPWMLMJMK-HAQNSBGRSA-N 0 0 338.429 3.149 10 5 EGBERN O=C(CC1CCCC1)NC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000618676875 460124522 /nfs/dbraw/zinc/12/45/22/460124522.db2.gz SYEOZZOAXKLLKW-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN CC[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680456 460126504 /nfs/dbraw/zinc/12/65/04/460126504.db2.gz PNXOSKMOFGPHNN-CYBMUJFWSA-N 0 0 344.415 3.450 10 5 EGBERN COC(=O)C1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599039043 460135312 /nfs/dbraw/zinc/13/53/12/460135312.db2.gz HDYNAZUDDOFVFO-UHFFFAOYSA-N 0 0 329.356 3.287 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594173065 460136079 /nfs/dbraw/zinc/13/60/79/460136079.db2.gz BAMRMQHOBBQPQK-HZPDHXFCSA-N 0 0 334.416 3.336 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594180407 460138938 /nfs/dbraw/zinc/13/89/38/460138938.db2.gz ZREPOYCPLJERJY-OLZOCXBDSA-N 0 0 338.429 3.394 10 5 EGBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000599056316 460144353 /nfs/dbraw/zinc/14/43/53/460144353.db2.gz WRWSKPUJIKVMDP-ZANVPECISA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2CCOC3(CCOCC3)C2)ccc2cnccc21 ZINC000599058846 460145358 /nfs/dbraw/zinc/14/53/58/460145358.db2.gz GYEZTCZENABPJO-AWEZNQCLSA-N 0 0 343.383 3.283 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC3(CCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000598048898 460153881 /nfs/dbraw/zinc/15/38/81/460153881.db2.gz RLWXEXAAGMFKQV-CYBMUJFWSA-N 0 0 348.399 3.166 10 5 EGBERN C[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594213360 460154461 /nfs/dbraw/zinc/15/44/61/460154461.db2.gz GHYAUJKAQZEZAG-AWEZNQCLSA-N 0 0 347.415 3.228 10 5 EGBERN O=[N+]([O-])c1c(NC[C@]2(CO)CCc3ccccc32)ccc2cnccc21 ZINC000599096891 460161043 /nfs/dbraw/zinc/16/10/43/460161043.db2.gz ZSRBGLNCXUIPML-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN COc1cc(NC[C@@H](n2cccn2)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000599115864 460165125 /nfs/dbraw/zinc/16/51/25/460165125.db2.gz GTAMAOWSAHZPEV-GFCCVEGCSA-N 0 0 348.256 3.155 10 5 EGBERN CCOc1cc(NC[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599119511 460165912 /nfs/dbraw/zinc/16/59/12/460165912.db2.gz ZQTJGCGOBKFVOH-ZDUSSCGKSA-N 0 0 344.293 3.406 10 5 EGBERN COc1cc(NC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1F ZINC000599123279 460167243 /nfs/dbraw/zinc/16/72/43/460167243.db2.gz DTGIMBHQBKJHLX-ZDUSSCGKSA-N 0 0 332.331 3.296 10 5 EGBERN CCc1nn(C)c(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1[N+](=O)[O-] ZINC000599123458 460167986 /nfs/dbraw/zinc/16/79/86/460167986.db2.gz QDUSSNYUSAQULC-IACUBPJLSA-N 0 0 332.791 3.294 10 5 EGBERN COc1ccc(CN2CC[C@@H]2CNc2ccsc2[N+](=O)[O-])cc1 ZINC000599138805 460172986 /nfs/dbraw/zinc/17/29/86/460172986.db2.gz GIKTUMZDNKVBOZ-CYBMUJFWSA-N 0 0 333.413 3.351 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccc(OC)cc1OC ZINC000599146747 460174980 /nfs/dbraw/zinc/17/49/80/460174980.db2.gz DCMBCNYTBYMTJJ-JTQLQIEISA-N 0 0 334.376 3.310 10 5 EGBERN CC[C@H](NC(=O)N[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530758 460178006 /nfs/dbraw/zinc/17/80/06/460178006.db2.gz AQRJYZLHLULGSU-DLBZAZTESA-N 0 0 349.431 3.286 10 5 EGBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599166927 460184108 /nfs/dbraw/zinc/18/41/08/460184108.db2.gz WJNAWQRPLHDKHW-GWCFXTLKSA-N 0 0 342.779 3.018 10 5 EGBERN CCOc1cccc(NCC(C)(C)C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000599169464 460186018 /nfs/dbraw/zinc/18/60/18/460186018.db2.gz ASYAYOSHFVXPKJ-UHFFFAOYSA-N 0 0 335.404 3.054 10 5 EGBERN COc1cc(N2CC[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1F ZINC000599191973 460194824 /nfs/dbraw/zinc/19/48/24/460194824.db2.gz QGJNYFJYDOXQLI-GFCCVEGCSA-N 0 0 332.331 3.442 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000599199544 460197458 /nfs/dbraw/zinc/19/74/58/460197458.db2.gz IGDORSBVFNOMBS-DSYXLKISSA-N 0 0 333.388 3.267 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610633099 460202109 /nfs/dbraw/zinc/20/21/09/460202109.db2.gz ZBBVSARLLLTQJP-LBPRGKRZSA-N 0 0 339.355 3.434 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610633098 460202833 /nfs/dbraw/zinc/20/28/33/460202833.db2.gz ZBBVSARLLLTQJP-GFCCVEGCSA-N 0 0 339.355 3.434 10 5 EGBERN Cc1cc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cc([N+](=O)[O-])c1 ZINC000598207687 460204200 /nfs/dbraw/zinc/20/42/00/460204200.db2.gz KCYFKXCTUIHQQT-WMZOPIPTSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594399999 460206043 /nfs/dbraw/zinc/20/60/43/460206043.db2.gz VSPFQBJQEDYUKW-IRXDYDNUSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000598213182 460206455 /nfs/dbraw/zinc/20/64/55/460206455.db2.gz AROVBAUYMBDXMA-NSHDSACASA-N 0 0 349.131 3.132 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000594417074 460212140 /nfs/dbraw/zinc/21/21/40/460212140.db2.gz AKORWKNEWBGEAO-SECBINFHSA-N 0 0 344.362 3.385 10 5 EGBERN Cc1c(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000598230029 460215807 /nfs/dbraw/zinc/21/58/07/460215807.db2.gz NLCSOFOFTGKTLR-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN Cc1sc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610718638 460224959 /nfs/dbraw/zinc/22/49/59/460224959.db2.gz LIIIHKJYHOVEOQ-ZDUSSCGKSA-N 0 0 326.418 3.290 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ncn(Cc3cccc(F)c3)n2)s1 ZINC000614830563 460232098 /nfs/dbraw/zinc/23/20/98/460232098.db2.gz JPBZGFIYNFZCJX-UHFFFAOYSA-N 0 0 333.348 3.047 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000610768745 460233623 /nfs/dbraw/zinc/23/36/23/460233623.db2.gz UIFNSBJCTPZCQG-UHFFFAOYSA-N 0 0 340.166 3.269 10 5 EGBERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610768801 460234649 /nfs/dbraw/zinc/23/46/49/460234649.db2.gz SZBARIAZKUNDQW-UHFFFAOYSA-N 0 0 339.273 3.281 10 5 EGBERN COC1CCC(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000614998255 460259466 /nfs/dbraw/zinc/25/94/66/460259466.db2.gz CZDAVUVOCXDGRX-UHFFFAOYSA-N 0 0 343.383 3.017 10 5 EGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599507476 460264343 /nfs/dbraw/zinc/26/43/43/460264343.db2.gz WMKOICMXVGBKPT-HZMBPMFUSA-N 0 0 344.820 3.201 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cnn(C)c1C(F)F ZINC000615035457 460264933 /nfs/dbraw/zinc/26/49/33/460264933.db2.gz JXGTVZRIQMRNMY-UHFFFAOYSA-N 0 0 325.275 3.218 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599521415 460266942 /nfs/dbraw/zinc/26/69/42/460266942.db2.gz HVJXVGALXAWJJG-BAABZTOOSA-N 0 0 338.429 3.103 10 5 EGBERN CCOC(=O)CCC1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000610969742 460268907 /nfs/dbraw/zinc/26/89/07/460268907.db2.gz MBDMLCMHBGTHFN-UHFFFAOYSA-N 0 0 336.388 3.163 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000599550897 460273042 /nfs/dbraw/zinc/27/30/42/460273042.db2.gz GSNGBEBAWLZSOZ-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCOC(C)(C)C1 ZINC000615197975 460291679 /nfs/dbraw/zinc/29/16/79/460291679.db2.gz CNZHCBUXUSUHSC-UHFFFAOYSA-N 0 0 326.780 3.198 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOCC2(CCC2)C1 ZINC000615206914 460293396 /nfs/dbraw/zinc/29/33/96/460293396.db2.gz MJGUJPSXIGVKKP-UHFFFAOYSA-N 0 0 338.791 3.199 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ocnc2C(F)F)cc1[N+](=O)[O-] ZINC000599635716 460293621 /nfs/dbraw/zinc/29/36/21/460293621.db2.gz UAIUZGFNRAHKNM-QMMMGPOBSA-N 0 0 325.271 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC4(C3)CC(F)(F)C4)co2)cc1 ZINC000611180083 460302361 /nfs/dbraw/zinc/30/23/61/460302361.db2.gz RLNKBIITWFNJCC-UHFFFAOYSA-N 0 0 335.310 3.481 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611218290 460309787 /nfs/dbraw/zinc/30/97/87/460309787.db2.gz BXQBBNFUTGUMTH-UHFFFAOYSA-N 0 0 332.400 3.481 10 5 EGBERN CSc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000611231244 460312571 /nfs/dbraw/zinc/31/25/71/460312571.db2.gz QSAHKEUQTCSIEG-UHFFFAOYSA-N 0 0 335.410 3.443 10 5 EGBERN CSc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccn1 ZINC000611230900 460313113 /nfs/dbraw/zinc/31/31/13/460313113.db2.gz DUXMCEDZJAPGIT-UHFFFAOYSA-N 0 0 342.380 3.305 10 5 EGBERN CSc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccn1 ZINC000611238489 460314538 /nfs/dbraw/zinc/31/45/38/460314538.db2.gz UBVYMEAREQNRAQ-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702953 460316248 /nfs/dbraw/zinc/31/62/48/460316248.db2.gz VOWPMFOUIBWBFR-LOKDSWTASA-N 0 0 327.768 3.182 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2Cc3ccccc3CO2)ccc1[N+](=O)[O-] ZINC000599769387 460329849 /nfs/dbraw/zinc/32/98/49/460329849.db2.gz VPADDPXQSCMAFJ-INIZCTEOSA-N 0 0 341.367 3.166 10 5 EGBERN CC(C)(C)C[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830026 460343162 /nfs/dbraw/zinc/34/31/62/460343162.db2.gz PGOLKQSMIPCAMB-LLVKDONJSA-N 0 0 346.387 3.062 10 5 EGBERN CN(CCOCC1CC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831469 460343830 /nfs/dbraw/zinc/34/38/30/460343830.db2.gz MQWCMERUSJKCQE-UHFFFAOYSA-N 0 0 344.371 3.033 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC(C1CC1)C1CC1 ZINC000599831174 460343953 /nfs/dbraw/zinc/34/39/53/460343953.db2.gz PBGAVYAPWCBGOM-UHFFFAOYSA-N 0 0 326.356 3.453 10 5 EGBERN CO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)(C)C ZINC000599832007 460343962 /nfs/dbraw/zinc/34/39/62/460343962.db2.gz REBKODPBRNHRJH-HNNXBMFYSA-N 0 0 346.387 3.326 10 5 EGBERN CO[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832492 460344037 /nfs/dbraw/zinc/34/40/37/460344037.db2.gz DJSUTUXVPVFGSH-MEDUHNTESA-N 0 0 344.371 3.080 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCCSCC1 ZINC000599831700 460344195 /nfs/dbraw/zinc/34/41/95/460344195.db2.gz WWRJDESREIKKEF-UHFFFAOYSA-N 0 0 332.385 3.114 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599835019 460344903 /nfs/dbraw/zinc/34/49/03/460344903.db2.gz RUUYVPPUDNBQJG-SDDRHHMPSA-N 0 0 326.356 3.453 10 5 EGBERN C[C@@H]1SCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835446 460345318 /nfs/dbraw/zinc/34/53/18/460345318.db2.gz WWGQMOMHHGWBSB-CABZTGNLSA-N 0 0 332.385 3.159 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1C[C@H]1C1CCC1 ZINC000599837470 460345395 /nfs/dbraw/zinc/34/53/95/460345395.db2.gz GBZZTRJGDOLVGN-SWLSCSKDSA-N 0 0 326.356 3.453 10 5 EGBERN CCO[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000599843353 460346748 /nfs/dbraw/zinc/34/67/48/460346748.db2.gz HADLVHWANMLNCT-ZDUSSCGKSA-N 0 0 348.321 3.291 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CS1 ZINC000599840843 460346846 /nfs/dbraw/zinc/34/68/46/460346846.db2.gz UMNQWUOYPOHSLS-ZJUUUORDSA-N 0 0 332.385 3.159 10 5 EGBERN COc1c(C(=O)N2CC(Cc3cccc(C)c3)C2)cccc1[N+](=O)[O-] ZINC000619439233 460356929 /nfs/dbraw/zinc/35/69/29/460356929.db2.gz ATJYUBSLLURLCB-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN COC(=O)[C@@H](CNc1sccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000611412993 460358884 /nfs/dbraw/zinc/35/88/84/460358884.db2.gz REKKVLZNECPKHY-LLVKDONJSA-N 0 0 338.360 3.239 10 5 EGBERN C[C@@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000599945957 460362831 /nfs/dbraw/zinc/36/28/31/460362831.db2.gz SHJPZBZFYSRJFH-VIFPVBQESA-N 0 0 343.305 3.323 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OC(C)(C)C)n1 ZINC000600064077 460374690 /nfs/dbraw/zinc/37/46/90/460374690.db2.gz ZXLCECGMVUXDJA-UHFFFAOYSA-N 0 0 344.371 3.461 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000611515384 460384405 /nfs/dbraw/zinc/38/44/05/460384405.db2.gz YRZTXZDUTCLROF-AWEZNQCLSA-N 0 0 332.360 3.022 10 5 EGBERN CCc1nc([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000611515301 460384868 /nfs/dbraw/zinc/38/48/68/460384868.db2.gz DCRGVRFXOYMYRO-CQSZACIVSA-N 0 0 346.387 3.276 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000611524955 460387834 /nfs/dbraw/zinc/38/78/34/460387834.db2.gz COYXFJZAOPHCJZ-BBRMVZONSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](O)CC(F)(F)C2)o1 ZINC000615849800 460408054 /nfs/dbraw/zinc/40/80/54/460408054.db2.gz ZPDBQYNFSPTTKY-LLVKDONJSA-N 0 0 338.310 3.057 10 5 EGBERN CCOC(=O)CCC1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611617322 460415283 /nfs/dbraw/zinc/41/52/83/460415283.db2.gz FVIHELHNHYEZLI-UHFFFAOYSA-N 0 0 335.404 3.166 10 5 EGBERN CCOC(=O)c1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000600169137 460417674 /nfs/dbraw/zinc/41/76/74/460417674.db2.gz MOYADCZSVYECQG-UHFFFAOYSA-N 0 0 343.383 3.191 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)n1cnc2c1CCCC2 ZINC000600179118 460423425 /nfs/dbraw/zinc/42/34/25/460423425.db2.gz ITUWYONEVMDALH-GFCCVEGCSA-N 0 0 328.372 3.260 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000619745798 460427867 /nfs/dbraw/zinc/42/78/67/460427867.db2.gz VWMRGRIBRAXQCL-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000611700859 460432983 /nfs/dbraw/zinc/43/29/83/460432983.db2.gz XXIDMJBUIIDBNH-VIFPVBQESA-N 0 0 326.278 3.317 10 5 EGBERN CCOc1cccc(CCNc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000611710633 460436591 /nfs/dbraw/zinc/43/65/91/460436591.db2.gz DNRUOUCOASOPBD-UHFFFAOYSA-N 0 0 338.367 3.013 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)CCC(C)C ZINC000600306997 460468962 /nfs/dbraw/zinc/46/89/62/460468962.db2.gz NKKRQYSMDIUBFJ-LBPRGKRZSA-N 0 0 328.796 3.084 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600393160 460488998 /nfs/dbraw/zinc/48/89/98/460488998.db2.gz KVZDNWWJNODZAH-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000600445204 460496254 /nfs/dbraw/zinc/49/62/54/460496254.db2.gz NIHYFSJBSWHFDL-NWDGAFQWSA-N 0 0 332.381 3.341 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000600443948 460496770 /nfs/dbraw/zinc/49/67/70/460496770.db2.gz WUBPCJOLXCELCX-KTHACSRUSA-N 0 0 334.416 3.092 10 5 EGBERN CCc1ccc(C(=O)N2Cc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000600514084 460509434 /nfs/dbraw/zinc/50/94/34/460509434.db2.gz FFWJKTSGNGGWLL-UHFFFAOYSA-N 0 0 326.352 3.322 10 5 EGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000600518945 460510389 /nfs/dbraw/zinc/51/03/89/460510389.db2.gz ZNJYEGUNVORTSD-AWEZNQCLSA-N 0 0 330.388 3.309 10 5 EGBERN O=C1[C@H](SCc2ccccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000600574770 460530430 /nfs/dbraw/zinc/53/04/30/460530430.db2.gz MPKDQMLUQLWEKM-OAHLLOKOSA-N 0 0 329.381 3.029 10 5 EGBERN Cc1cc(CNc2ncc(F)cc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000601165497 460738224 /nfs/dbraw/zinc/73/82/24/460738224.db2.gz BORLQMVITFYZOE-UHFFFAOYSA-N 0 0 331.351 3.045 10 5 EGBERN Cc1c(Br)c(N(C)Cc2ccns2)ncc1[N+](=O)[O-] ZINC000601193884 460747152 /nfs/dbraw/zinc/74/71/52/460747152.db2.gz RDFWMIDJTQOIQH-UHFFFAOYSA-N 0 0 343.206 3.154 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000601213453 460753863 /nfs/dbraw/zinc/75/38/63/460753863.db2.gz DOPOLHRUCZDWAA-AWEZNQCLSA-N 0 0 342.399 3.020 10 5 EGBERN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601237403 460761007 /nfs/dbraw/zinc/76/10/07/460761007.db2.gz DYPJVJWSOAWMIN-SJCJKPOMSA-N 0 0 343.408 3.368 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601237402 460761391 /nfs/dbraw/zinc/76/13/91/460761391.db2.gz DYPJVJWSOAWMIN-PXAZEXFGSA-N 0 0 343.408 3.368 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)cc1 ZINC000612893564 460764704 /nfs/dbraw/zinc/76/47/04/460764704.db2.gz CKIISUHMTUBJJX-UHFFFAOYSA-N 0 0 339.307 3.007 10 5 EGBERN COc1cncc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000601281260 460774623 /nfs/dbraw/zinc/77/46/23/460774623.db2.gz MGCDAYIRTMXIOE-LBPRGKRZSA-N 0 0 329.356 3.106 10 5 EGBERN CN(Cc1cccc(O)c1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601317890 460786521 /nfs/dbraw/zinc/78/65/21/460786521.db2.gz DFIFUGFXJLGOQR-UHFFFAOYSA-N 0 0 340.379 3.381 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(Cc4cncs4)no3)CCC2)cc1 ZINC000601375287 460798628 /nfs/dbraw/zinc/79/86/28/460798628.db2.gz HFSAUSGMVDUJMX-UHFFFAOYSA-N 0 0 342.380 3.495 10 5 EGBERN CCCCN(CCCO)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407716 460805887 /nfs/dbraw/zinc/80/58/87/460805887.db2.gz BZXZBVKWGIFOFO-UHFFFAOYSA-N 0 0 334.416 3.028 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H](C)c2ccsc2)c([N+](=O)[O-])s1 ZINC000601410987 460806796 /nfs/dbraw/zinc/80/67/96/460806796.db2.gz WPZKDWWXOWVCSY-MRVPVSSYSA-N 0 0 332.428 3.066 10 5 EGBERN C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1nccs1 ZINC000601438613 460812212 /nfs/dbraw/zinc/81/22/12/460812212.db2.gz CSGMKXIUJGDGOQ-GFCCVEGCSA-N 0 0 345.424 3.393 10 5 EGBERN COc1ccc(CNC(=O)NCc2csc(C)c2C)cc1[N+](=O)[O-] ZINC000601561404 460833366 /nfs/dbraw/zinc/83/33/66/460833366.db2.gz NHUHBMREMJJLHS-UHFFFAOYSA-N 0 0 349.412 3.281 10 5 EGBERN COCC1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601624462 460850216 /nfs/dbraw/zinc/85/02/16/460850216.db2.gz FOGUDKMHQUVUFE-UHFFFAOYSA-N 0 0 346.427 3.338 10 5 EGBERN CO[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC000601631962 460852517 /nfs/dbraw/zinc/85/25/17/460852517.db2.gz JMCOVPBOKDMYLX-CVEARBPZSA-N 0 0 344.411 3.090 10 5 EGBERN CC1(C)[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(F)F ZINC000601669982 460864163 /nfs/dbraw/zinc/86/41/63/460864163.db2.gz FOPNJMLFDIKVFI-ZDUSSCGKSA-N 0 0 338.354 3.424 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000601675515 460864709 /nfs/dbraw/zinc/86/47/09/460864709.db2.gz MVESLNMOZAVAMA-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN CC1(C)CC(=O)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601683020 460867152 /nfs/dbraw/zinc/86/71/52/460867152.db2.gz MYIUSIHZUGFFIL-UHFFFAOYSA-N 0 0 344.411 3.234 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)[C@H](C)C1CC1 ZINC000601714047 460880884 /nfs/dbraw/zinc/88/08/84/460880884.db2.gz DPOXSASJBSDHEB-CYBMUJFWSA-N 0 0 342.399 3.322 10 5 EGBERN C[C@@H](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782241 460896362 /nfs/dbraw/zinc/89/63/62/460896362.db2.gz XXLYRGQZNYMQBA-IFXJQAMLSA-N 0 0 342.395 3.112 10 5 EGBERN C[C@@H](Nc1ccn(C2CCSCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000601931809 460949298 /nfs/dbraw/zinc/94/92/98/460949298.db2.gz CZIYEYXKGSZALK-GFCCVEGCSA-N 0 0 332.429 3.454 10 5 EGBERN Nc1cc(N[C@H]2CCSc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000613535507 460983959 /nfs/dbraw/zinc/98/39/59/460983959.db2.gz GFKJYVRYGTVCSX-AWEZNQCLSA-N 0 0 349.387 3.457 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000617867811 461008103 /nfs/dbraw/zinc/00/81/03/461008103.db2.gz FQAPXJMSLOFBDZ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1cc(C)c(N2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2=O)c(C)c1 ZINC000192548227 534066433 /nfs/dbraw/zinc/06/64/33/534066433.db2.gz HJLBMAJNEXXVQJ-GFCCVEGCSA-N 0 0 346.412 3.194 10 5 EGBERN Cc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000360064307 518187446 /nfs/dbraw/zinc/18/74/46/518187446.db2.gz BVGCKVRKLHVGJQ-UHFFFAOYSA-N 0 0 346.284 3.431 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000187069847 534568903 /nfs/dbraw/zinc/56/89/03/534568903.db2.gz SMPNRRHMDXKJSC-AWEZNQCLSA-N 0 0 335.360 3.476 10 5 EGBERN CC(C)(C)CCc1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000351608691 534603196 /nfs/dbraw/zinc/60/31/96/534603196.db2.gz QPBXKTLCQURWOK-UHFFFAOYSA-N 0 0 342.359 3.204 10 5 EGBERN Cc1nc([C@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000189817102 534607750 /nfs/dbraw/zinc/60/77/50/534607750.db2.gz RKOSELRFNMNZSG-CQSZACIVSA-N 0 0 346.412 3.135 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(Cn3cccn3)CC2)ccc1Cl ZINC000153828965 534879969 /nfs/dbraw/zinc/87/99/69/534879969.db2.gz JPCYJELPIMDEOK-UHFFFAOYSA-N 0 0 334.807 3.357 10 5 EGBERN CC(C)(NCc1csc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000129495155 527296223 /nfs/dbraw/zinc/29/62/23/527296223.db2.gz JSUPMTOPKYGOTC-UHFFFAOYSA-N 0 0 339.461 3.221 10 5 EGBERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187452916 527873151 /nfs/dbraw/zinc/87/31/51/527873151.db2.gz MHUKFJIPZOFUGZ-SJORKVTESA-N 0 0 332.400 3.257 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000173595730 528319291 /nfs/dbraw/zinc/31/92/91/528319291.db2.gz HBWPMKYJIWJXPH-CYBMUJFWSA-N 0 0 348.334 3.218 10 5 EGBERN CCOC[C@@H]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000183975746 528919398 /nfs/dbraw/zinc/91/93/98/528919398.db2.gz WNLFOULABHGRBK-WSYSLRRZSA-N 0 0 332.400 3.273 10 5 EGBERN CCOc1ccc(C(=O)NCC2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000186336998 535705828 /nfs/dbraw/zinc/70/58/28/535705828.db2.gz RIQGRDWCOIJYIA-UHFFFAOYSA-N 0 0 336.388 3.073 10 5 EGBERN COc1ccccc1CS(=O)(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000264272956 537050069 /nfs/dbraw/zinc/05/00/69/537050069.db2.gz NUPUWJGMBZUWSM-LBPRGKRZSA-N 0 0 335.381 3.279 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000052781819 546547821 /nfs/dbraw/zinc/54/78/21/546547821.db2.gz PDSFXDNSPGFVMA-UHFFFAOYSA-N 0 0 344.433 3.097 10 5 EGBERN Cc1ccc2oc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nc2c1 ZINC000072626532 546570564 /nfs/dbraw/zinc/57/05/64/546570564.db2.gz SFCGBLSCSBWGHK-UHFFFAOYSA-N 0 0 343.364 3.436 10 5 EGBERN COC(=O)c1ccc(OCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000613109122 548120267 /nfs/dbraw/zinc/12/02/67/548120267.db2.gz NIECHYZGJWHFBT-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN CC[C@@H](C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000726005782 574521824 /nfs/dbraw/zinc/52/18/24/574521824.db2.gz CMDNDPIBUCZPRC-CYBMUJFWSA-N 0 0 348.355 3.445 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(N2CCCC2)nc1 ZINC000727210916 574654833 /nfs/dbraw/zinc/65/48/33/574654833.db2.gz ZRRCRRBRTSFWLP-UHFFFAOYSA-N 0 0 333.369 3.009 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000728288724 574736234 /nfs/dbraw/zinc/73/62/34/574736234.db2.gz BBAGCLAWZFHWGC-QMMMGPOBSA-N 0 0 344.298 3.346 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(O)c1 ZINC000729113670 574815439 /nfs/dbraw/zinc/81/54/39/574815439.db2.gz LLVSYPHKKYWZOT-UHFFFAOYSA-N 0 0 331.324 3.445 10 5 EGBERN C[C@@H]1C[C@@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000729089508 574813048 /nfs/dbraw/zinc/81/30/48/574813048.db2.gz VYRCYBCQSHATND-RKDXNWHRSA-N 0 0 333.262 3.349 10 5 EGBERN CC[C@@H]1CCC[C@@H](OC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000734722190 575543103 /nfs/dbraw/zinc/54/31/03/575543103.db2.gz JSGWCYLPBVEXLX-TZMCWYRMSA-N 0 0 337.372 3.494 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H](C)n1cccc1 ZINC000735207357 575621742 /nfs/dbraw/zinc/62/17/42/575621742.db2.gz IAGDOCQEHCSQHY-ZDUSSCGKSA-N 0 0 332.356 3.490 10 5 EGBERN O=C(/C=C/C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736165260 575906287 /nfs/dbraw/zinc/90/62/87/575906287.db2.gz BECHBORQBLAHIY-RZIFZGNASA-N 0 0 344.415 3.139 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCNc2ccccc2)c([N+](=O)[O-])c1 ZINC000736294514 575928522 /nfs/dbraw/zinc/92/85/22/575928522.db2.gz LUMUWYWONOMNHZ-NTMALXAHSA-N 0 0 341.367 3.305 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3)C2)c1 ZINC000741751273 576716779 /nfs/dbraw/zinc/71/67/79/576716779.db2.gz HUPHWBHUGWXXNH-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C1CC1)C1CCCC1 ZINC000742259213 576763582 /nfs/dbraw/zinc/76/35/82/576763582.db2.gz WAMFXMDEAHCURP-CYBMUJFWSA-N 0 0 343.427 3.279 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000743000414 576799300 /nfs/dbraw/zinc/79/93/00/576799300.db2.gz NHUURKRNYNACEC-UHFFFAOYSA-N 0 0 338.319 3.424 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000743545134 576811603 /nfs/dbraw/zinc/81/16/03/576811603.db2.gz MNDSQMACJHSDEC-UHFFFAOYSA-N 0 0 336.436 3.163 10 5 EGBERN CC(C)c1noc(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000745436717 576848008 /nfs/dbraw/zinc/84/80/08/576848008.db2.gz ZOVUMYRHTAJPDA-UHFFFAOYSA-N 0 0 335.320 3.054 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171118542 1294394313 /nfs/dbraw/zinc/39/43/13/1294394313.db2.gz QDJNUFBSPWGPAN-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN CCOc1cc(COC(=O)[C@H]2CC23CC(OCC)C3)ccc1[N+](=O)[O-] ZINC000869930525 1295542747 /nfs/dbraw/zinc/54/27/47/1295542747.db2.gz SJLYPCGYYCDKJL-TXKKKEFDSA-N 0 0 349.383 3.242 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000869930230 1295542993 /nfs/dbraw/zinc/54/29/93/1295542993.db2.gz PRMINWSHZYJHSI-BWBHSNQOSA-N 0 0 339.775 3.497 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@]12CCC[C@H]1OCC2 ZINC000870207497 1295738661 /nfs/dbraw/zinc/73/86/61/1295738661.db2.gz IHRXBOGPQDBKLR-HIFRSBDPSA-N 0 0 325.748 3.421 10 5 EGBERN C[C@]1(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]1c1ccccc1 ZINC000870827421 1296104433 /nfs/dbraw/zinc/10/44/33/1296104433.db2.gz AJBOVIUIEPQKSJ-SPMVYCQMSA-N 0 0 341.367 3.232 10 5 EGBERN CCCc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829559 1296105983 /nfs/dbraw/zinc/10/59/83/1296105983.db2.gz MYKVMINOGMNQEN-UHFFFAOYSA-N 0 0 329.356 3.304 10 5 EGBERN Cc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000870827956 1296106689 /nfs/dbraw/zinc/10/66/89/1296106689.db2.gz HLCUSLGCKMICSX-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN CSc1cccc(C(=O)NCC[C@@H]2CCCS2)c1[N+](=O)[O-] ZINC000871033898 1296187635 /nfs/dbraw/zinc/18/76/35/1296187635.db2.gz KKGQVUSEKFDUMS-JTQLQIEISA-N 0 0 326.443 3.332 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000871092072 1296220717 /nfs/dbraw/zinc/22/07/17/1296220717.db2.gz AAOHXASWKGHEEN-KYZUINATSA-N 0 0 334.319 3.237 10 5 EGBERN CCC(CC)(CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000871265148 1296303741 /nfs/dbraw/zinc/30/37/41/1296303741.db2.gz BFVQUVVAQARZDG-LBPRGKRZSA-N 0 0 348.321 3.113 10 5 EGBERN CC(C)(C(=O)Nc1ccc(F)c(C(F)F)c1)n1cc([N+](=O)[O-])cn1 ZINC000871272749 1296307744 /nfs/dbraw/zinc/30/77/44/1296307744.db2.gz ISYLMPZEXUMHCQ-UHFFFAOYSA-N 0 0 342.277 3.242 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871306247 1296335633 /nfs/dbraw/zinc/33/56/33/1296335633.db2.gz HADCPHABKXFFTJ-NHYWBVRUSA-N 0 0 338.791 3.183 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000871335866 1296358809 /nfs/dbraw/zinc/35/88/09/1296358809.db2.gz NWVTWDSPWKEMFT-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871371344 1296374381 /nfs/dbraw/zinc/37/43/81/1296374381.db2.gz AHFNODSXHJPNKB-GOSISDBHSA-N 0 0 343.358 3.278 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000871577694 1296437948 /nfs/dbraw/zinc/43/79/48/1296437948.db2.gz AOTNEGULXPQGBC-GFCCVEGCSA-N 0 0 343.383 3.013 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000871756628 1296520825 /nfs/dbraw/zinc/52/08/25/1296520825.db2.gz XWXNJGFXGAAXGI-JOYOIKCWSA-N 0 0 347.293 3.168 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CNc1cccc2c1OCCCO2 ZINC000871865541 1296578303 /nfs/dbraw/zinc/57/83/03/1296578303.db2.gz XXPLXVJWOKHUPY-UHFFFAOYSA-N 0 0 330.340 3.377 10 5 EGBERN C[C@@H](NCc1nccn1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872031966 1296680193 /nfs/dbraw/zinc/68/01/93/1296680193.db2.gz OKSVMOCDDVNDOE-SECBINFHSA-N 0 0 346.284 3.344 10 5 EGBERN C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083216 1296723606 /nfs/dbraw/zinc/72/36/06/1296723606.db2.gz IXLAUMMLDKQIPW-NHYWBVRUSA-N 0 0 343.358 3.338 10 5 EGBERN C[C@@H](OC[C@H]1CCCCO1)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000873578780 1297605269 /nfs/dbraw/zinc/60/52/69/1297605269.db2.gz UZJCJDHHDFUKGY-MGPQQGTHSA-N 0 0 337.372 3.173 10 5 EGBERN Cn1cc(CNc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000876820218 1299012825 /nfs/dbraw/zinc/01/28/25/1299012825.db2.gz MJCAPFCIGBMHHM-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN CC(=O)c1c(NCc2ccnc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000881786407 1301722174 /nfs/dbraw/zinc/72/21/74/1301722174.db2.gz HYAQOCFZKOCXGC-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C2CCOCC2)CC1 ZINC000882128686 1301841276 /nfs/dbraw/zinc/84/12/76/1301841276.db2.gz TWVJMTUSMDYFMS-UHFFFAOYSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000882157231 1301851127 /nfs/dbraw/zinc/85/11/27/1301851127.db2.gz NLSVVIQMVZDJGA-CABCVRRESA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1c(NC[C@@H](c2ccnn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000882242771 1301889181 /nfs/dbraw/zinc/88/91/81/1301889181.db2.gz SNLJGKNQNJZDBR-CYBMUJFWSA-N 0 0 330.388 3.383 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000882601364 1302032458 /nfs/dbraw/zinc/03/24/58/1302032458.db2.gz GAQPVVOZMDUEPD-SUMDDJOVSA-N 0 0 346.427 3.381 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c([N+](=O)[O-])c1 ZINC000884700487 1302957466 /nfs/dbraw/zinc/95/74/66/1302957466.db2.gz RGWXBOVRPULZPO-MTKHPJAWSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C/C(=O)NC1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000887089911 1303670362 /nfs/dbraw/zinc/67/03/62/1303670362.db2.gz ACOCTBBYRXJKLF-BFFYNSAMSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000887485769 1303815938 /nfs/dbraw/zinc/81/59/38/1303815938.db2.gz WLIGYHNNTVPGKS-YWXYRXPLSA-N 0 0 330.384 3.072 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000887552447 1303852495 /nfs/dbraw/zinc/85/24/95/1303852495.db2.gz YQYKXJCXMZACGU-FVOQVABISA-N 0 0 332.400 3.056 10 5 EGBERN C/C(=C/C(=O)NC1CC2(C1)CO[C@@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000888723681 1304252421 /nfs/dbraw/zinc/25/24/21/1304252421.db2.gz NSICSELIDCRJEV-HVUGFKLRSA-N 0 0 330.384 3.072 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888819154 1304288177 /nfs/dbraw/zinc/28/81/77/1304288177.db2.gz HFHYQTQXFGSPHB-ZBEGNZNMSA-N 0 0 329.381 3.203 10 5 EGBERN CCc1cnc(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000889259834 1304432556 /nfs/dbraw/zinc/43/25/56/1304432556.db2.gz UMZKZZREENFOSV-UHFFFAOYSA-N 0 0 333.413 3.203 10 5 EGBERN CCn1cc(Cl)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000889594626 1304537700 /nfs/dbraw/zinc/53/77/00/1304537700.db2.gz BAZUFTJLHIZZSQ-UHFFFAOYSA-N 0 0 349.778 3.055 10 5 EGBERN COC(=O)c1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000893945949 1306140049 /nfs/dbraw/zinc/14/00/49/1306140049.db2.gz PFOOIZMBSREPFS-UHFFFAOYSA-N 0 0 349.412 3.249 10 5 EGBERN CCc1[nH]c(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000894370893 1306362930 /nfs/dbraw/zinc/36/29/30/1306362930.db2.gz QWOYEUFAISUAMY-LLVKDONJSA-N 0 0 331.372 3.123 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1Cl ZINC000894404624 1308857562 /nfs/dbraw/zinc/85/75/62/1308857562.db2.gz YKFYTZQSYRAWSD-LLVKDONJSA-N 0 0 338.791 3.246 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894706455 1309030231 /nfs/dbraw/zinc/03/02/31/1309030231.db2.gz XFCVXVDNWLWAMR-JFIYKMOQSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cscc3C(F)F)n2)n1C ZINC000896247292 1309768562 /nfs/dbraw/zinc/76/85/62/1309768562.db2.gz IQUDFKNCXWCGTF-UHFFFAOYSA-N 0 0 341.299 3.353 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCc3cccnc32)c1C ZINC000898523517 1310777773 /nfs/dbraw/zinc/77/77/73/1310777773.db2.gz ATAWWKOBXOHSPX-CQSZACIVSA-N 0 0 325.368 3.066 10 5 EGBERN CCOC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000857600693 1328560505 /nfs/dbraw/zinc/56/05/05/1328560505.db2.gz UMYRSFWTOFFUFS-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@]2(C)CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000857605926 1328562740 /nfs/dbraw/zinc/56/27/40/1328562740.db2.gz SPRRGPTZKXZKCC-QGZVFWFLSA-N 0 0 333.340 3.423 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000857637201 1328571079 /nfs/dbraw/zinc/57/10/79/1328571079.db2.gz XYSQIXAWRXWNPW-SFYZADRCSA-N 0 0 348.233 3.387 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929375239 1328583114 /nfs/dbraw/zinc/58/31/14/1328583114.db2.gz UTUWJEOQGCJOTG-BHIYHBOVSA-N 0 0 336.391 3.372 10 5 EGBERN Cc1ccc(O[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858008376 1328655248 /nfs/dbraw/zinc/65/52/48/1328655248.db2.gz KEWSVPZKSKKYNA-LBPRGKRZSA-N 0 0 335.310 3.234 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858008049 1328655429 /nfs/dbraw/zinc/65/54/29/1328655429.db2.gz HMDYVSFKMZBAAD-OAHLLOKOSA-N 0 0 340.383 3.310 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])no1 ZINC000929875703 1328727549 /nfs/dbraw/zinc/72/75/49/1328727549.db2.gz LSVYXTIPXUSHJJ-MRXNPFEDSA-N 0 0 347.346 3.327 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385341 1319020689 /nfs/dbraw/zinc/02/06/89/1319020689.db2.gz YECDFVCDNOOIDS-UHFFFAOYSA-N 0 0 344.770 3.399 10 5 EGBERN Cc1cc(N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000913526520 1319054276 /nfs/dbraw/zinc/05/42/76/1319054276.db2.gz IGIZENAQETYWOC-JKSUJKDBSA-N 0 0 326.352 3.375 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000858653042 1328818814 /nfs/dbraw/zinc/81/88/14/1328818814.db2.gz JOXNXRFQXMCPPA-HZRUHFOJSA-N 0 0 334.372 3.010 10 5 EGBERN C[C@@H](OC(=O)CCOc1ccc(C=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000915575501 1319503487 /nfs/dbraw/zinc/50/34/87/1319503487.db2.gz JOKDEHJMGMURKY-CYBMUJFWSA-N 0 0 343.335 3.481 10 5 EGBERN COC(=O)c1cccc(OC[C@@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000917848379 1319881356 /nfs/dbraw/zinc/88/13/56/1319881356.db2.gz ZRGBNJWUJUTGMI-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@H]2CC[C@@H](C3CC3)O2)c(F)c1F ZINC000917929315 1319888948 /nfs/dbraw/zinc/88/89/48/1319888948.db2.gz QRXBXIJCECSXFI-SFYZADRCSA-N 0 0 335.253 3.488 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000858854333 1328876693 /nfs/dbraw/zinc/87/66/93/1328876693.db2.gz VUTWJWPCKOWEFG-GFCCVEGCSA-N 0 0 335.360 3.296 10 5 EGBERN Cc1nc(C)c(CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)[nH]1 ZINC000930723479 1328950626 /nfs/dbraw/zinc/95/06/26/1328950626.db2.gz MIOKTQIDRVAOPM-CYBMUJFWSA-N 0 0 346.284 3.467 10 5 EGBERN Cc1cn(C)nc1CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000930723962 1328950651 /nfs/dbraw/zinc/95/06/51/1328950651.db2.gz YOQFZRNRCCDLNV-ZDUSSCGKSA-N 0 0 346.284 3.169 10 5 EGBERN COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000930770777 1328965572 /nfs/dbraw/zinc/96/55/72/1328965572.db2.gz BCKHTTDJYMKIJG-YOGCLGLASA-N 0 0 337.401 3.152 10 5 EGBERN COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)C ZINC000859366646 1328977181 /nfs/dbraw/zinc/97/71/81/1328977181.db2.gz LERMXRFJZATXLY-UHFFFAOYSA-N 0 0 344.367 3.162 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccnn1C ZINC000930862181 1328990289 /nfs/dbraw/zinc/99/02/89/1328990289.db2.gz JMSGOMLXCRYCFR-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN COc1cc(C(=O)OC[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000920333284 1322164436 /nfs/dbraw/zinc/16/44/36/1322164436.db2.gz MTXPNQLCUDILTE-JGVFFNPUSA-N 0 0 331.271 3.018 10 5 EGBERN CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000920626737 1322199385 /nfs/dbraw/zinc/19/93/85/1322199385.db2.gz VIHOXDKMFIPGDU-JTQLQIEISA-N 0 0 344.323 3.177 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OCc1cnn(-c2ccccc2)n1 ZINC000920991627 1322241948 /nfs/dbraw/zinc/24/19/48/1322241948.db2.gz AWPVMMKPKCPWDR-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN CC[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335510 1322294801 /nfs/dbraw/zinc/29/48/01/1322294801.db2.gz LMXJCXRAJWDBAC-CVEARBPZSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000921807975 1322401636 /nfs/dbraw/zinc/40/16/36/1322401636.db2.gz WLCKHVKNLAORKT-IUODEOHRSA-N 0 0 340.383 3.428 10 5 EGBERN Cc1cc(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000922180004 1322473405 /nfs/dbraw/zinc/47/34/05/1322473405.db2.gz QJAJAJVUYODCGV-JQWIXIFHSA-N 0 0 333.262 3.170 10 5 EGBERN CCc1oc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)cc1C ZINC000859593492 1329029490 /nfs/dbraw/zinc/02/94/90/1329029490.db2.gz RNONHJZJWLKDOV-UHFFFAOYSA-N 0 0 335.287 3.237 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000922227992 1322483020 /nfs/dbraw/zinc/48/30/20/1322483020.db2.gz AJGPCHHXQVRGOG-SNVBAGLBSA-N 0 0 342.754 3.219 10 5 EGBERN Cc1sc(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922319447 1322500079 /nfs/dbraw/zinc/50/00/79/1322500079.db2.gz DTUPKNNRIXJPRC-XCBNKYQSSA-N 0 0 339.291 3.231 10 5 EGBERN C/C(=C/C(=O)OCc1noc(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000859635837 1329041602 /nfs/dbraw/zinc/04/16/02/1329041602.db2.gz YKBRUMFCPJATLC-LUAWRHEFSA-N 0 0 343.339 3.392 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC[C@H]1CCCC1=O ZINC000923594227 1322779196 /nfs/dbraw/zinc/77/91/96/1322779196.db2.gz HVVRHUCAPJRJRI-GFCCVEGCSA-N 0 0 339.775 3.483 10 5 EGBERN CCc1cc(CC(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000923815970 1322815730 /nfs/dbraw/zinc/81/57/30/1322815730.db2.gz VGIWFGFTMJEALR-LBPRGKRZSA-N 0 0 331.372 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000923885608 1322836199 /nfs/dbraw/zinc/83/61/99/1322836199.db2.gz GKTBYUKNQPXHTL-DZGCQCFKSA-N 0 0 329.356 3.453 10 5 EGBERN C[C@H](OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC000923967660 1322859061 /nfs/dbraw/zinc/85/90/61/1322859061.db2.gz PXLRTVUVUYDOGJ-JTQLQIEISA-N 0 0 335.747 3.275 10 5 EGBERN O=C(COC(=O)C1(C(F)F)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859694397 1329056834 /nfs/dbraw/zinc/05/68/34/1329056834.db2.gz OEXAVGWNSCIIAE-UHFFFAOYSA-N 0 0 345.273 3.285 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCCC[C@H]1CCOC1 ZINC000924241323 1322949158 /nfs/dbraw/zinc/94/91/58/1322949158.db2.gz UQHNKUSSOLDXET-NSHDSACASA-N 0 0 327.764 3.151 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](c2ncccn2)C1 ZINC000924343072 1322989422 /nfs/dbraw/zinc/98/94/22/1322989422.db2.gz ZNYXGPAPRWCHIQ-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000924494339 1323037658 /nfs/dbraw/zinc/03/76/58/1323037658.db2.gz MQCYDKHKJDVATM-JQWIXIFHSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(COC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000859747518 1329069634 /nfs/dbraw/zinc/06/96/34/1329069634.db2.gz WWOFDPAQOGKTPL-LLVKDONJSA-N 0 0 335.331 3.430 10 5 EGBERN CC1(C)CC(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000931204472 1329070195 /nfs/dbraw/zinc/07/01/95/1329070195.db2.gz LSARKPIMFSZHNK-UHFFFAOYSA-N 0 0 346.214 3.002 10 5 EGBERN CN(C)c1ccccc1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931224559 1329075302 /nfs/dbraw/zinc/07/53/02/1329075302.db2.gz MEXPFGKCIRWNHI-UHFFFAOYSA-N 0 0 345.374 3.049 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCS[C@@H](C)C1 ZINC000931262195 1329080773 /nfs/dbraw/zinc/08/07/73/1329080773.db2.gz NMOVTMPPWZFPPM-QWRGUYRKSA-N 0 0 339.417 3.399 10 5 EGBERN COC(=O)C=Cc1ccc(Nc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000931354539 1329100804 /nfs/dbraw/zinc/10/08/04/1329100804.db2.gz JXATTYLODQHQGJ-CLTKARDFSA-N 0 0 338.323 3.401 10 5 EGBERN Cc1noc(COC(=O)c2csc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000859880628 1329105205 /nfs/dbraw/zinc/10/52/05/1329105205.db2.gz DJHIGKSTCAMCBJ-UHFFFAOYSA-N 0 0 336.247 3.329 10 5 EGBERN O=C(NC[C@H]1CCCC2(CCC2)O1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931609165 1329153444 /nfs/dbraw/zinc/15/34/44/1329153444.db2.gz CTVGBLDHLJINCW-GFCCVEGCSA-N 0 0 337.351 3.347 10 5 EGBERN CO[C@H]1CC[C@H]1N(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931624198 1329156311 /nfs/dbraw/zinc/15/63/11/1329156311.db2.gz LHWCCQJEFCTNBP-YPMHNXCESA-N 0 0 327.768 3.198 10 5 EGBERN COC[C@@]1(C)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000860202712 1329172349 /nfs/dbraw/zinc/17/23/49/1329172349.db2.gz QURNAXCWWWMIOM-CQSZACIVSA-N 0 0 349.214 3.139 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCS[C@H](C)C1 ZINC000927254887 1327933935 /nfs/dbraw/zinc/93/39/35/1327933935.db2.gz ZOXPYVWTCNXBOI-NXEZZACHSA-N 0 0 325.390 3.009 10 5 EGBERN Nc1ccc(NC(=O)N[C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000861202133 1329396860 /nfs/dbraw/zinc/39/68/60/1329396860.db2.gz IROURIRWXLWDCY-INIZCTEOSA-N 0 0 341.371 3.235 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)n1 ZINC000928206519 1328235081 /nfs/dbraw/zinc/23/50/81/1328235081.db2.gz NGGBTMDEUZNTCK-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000928238615 1328249398 /nfs/dbraw/zinc/24/93/98/1328249398.db2.gz GBPJLOZMTIHRKU-YCABEKBOSA-N 0 0 332.400 3.414 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928247045 1328254099 /nfs/dbraw/zinc/25/40/99/1328254099.db2.gz OKCKNWKROOAOAX-KCPJHIHWSA-N 0 0 348.399 3.140 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC000928274853 1328270075 /nfs/dbraw/zinc/27/00/75/1328270075.db2.gz PHRDGEQNVKWJTF-CYBMUJFWSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928276590 1328271530 /nfs/dbraw/zinc/27/15/30/1328271530.db2.gz LNVJUWKHTWHTQV-SNVBAGLBSA-N 0 0 337.426 3.208 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000928577494 1328360576 /nfs/dbraw/zinc/36/05/76/1328360576.db2.gz FNKMIBBGRHHXDF-INIZCTEOSA-N 0 0 340.383 3.389 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928596468 1328367679 /nfs/dbraw/zinc/36/76/79/1328367679.db2.gz RMXNEOZHLBGYFB-JTQLQIEISA-N 0 0 349.412 3.262 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000929132893 1328514639 /nfs/dbraw/zinc/51/46/39/1328514639.db2.gz IFUIUDUCRYRAAG-PWSUYJOCSA-N 0 0 332.278 3.342 10 5 EGBERN O=C(N[C@H]1CC12CCOCC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861905344 1329449457 /nfs/dbraw/zinc/44/94/57/1329449457.db2.gz SLJGDFHIPOTPEY-INIZCTEOSA-N 0 0 326.352 3.047 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(C(=O)c1cc([N+](=O)[O-])cc3ccccc31)C2 ZINC000862178877 1329464184 /nfs/dbraw/zinc/46/41/84/1329464184.db2.gz SOSJXWPEFWHIQM-KDURUIRLSA-N 0 0 340.379 3.247 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862368796 1329478956 /nfs/dbraw/zinc/47/89/56/1329478956.db2.gz NJTQBTFKYXUVNY-GOSISDBHSA-N 0 0 342.395 3.143 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862717581 1329504912 /nfs/dbraw/zinc/50/49/12/1329504912.db2.gz OEXDIKGBSUPWDH-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN COC(=O)c1cc2c(cc1NCc1ccc(C)c([N+](=O)[O-])c1)OCO2 ZINC000864012030 1329593785 /nfs/dbraw/zinc/59/37/85/1329593785.db2.gz NKPHXFJPWYLCNK-UHFFFAOYSA-N 0 0 344.323 3.031 10 5 EGBERN C[C@H](O)c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000865567510 1329714450 /nfs/dbraw/zinc/71/44/50/1329714450.db2.gz NTUPNQKDZAFFGY-ZDUSSCGKSA-N 0 0 343.383 3.091 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C2(C)OCCO2)cc1 ZINC000865669185 1329727513 /nfs/dbraw/zinc/72/75/13/1329727513.db2.gz ZRZGPKVCZTVHFA-UHFFFAOYSA-N 0 0 342.395 3.413 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000865767984 1329736738 /nfs/dbraw/zinc/73/67/38/1329736738.db2.gz VCDMZCICJRSTFA-GFCCVEGCSA-N 0 0 346.358 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@](O)(C(F)F)C1 ZINC000865850046 1329745478 /nfs/dbraw/zinc/74/54/78/1329745478.db2.gz RWBRFFIWSFJZGJ-LLVKDONJSA-N 0 0 327.114 3.108 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000865903994 1329750652 /nfs/dbraw/zinc/75/06/52/1329750652.db2.gz IHZLLJWAQYQFDD-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCF)C2)cc1OC(F)F ZINC000865927909 1329752428 /nfs/dbraw/zinc/75/24/28/1329752428.db2.gz KRHWTNLKGBNHTR-NSHDSACASA-N 0 0 333.310 3.042 10 5 EGBERN O=C(c1cc(NCC[C@H]2CCSC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000865986126 1329756968 /nfs/dbraw/zinc/75/69/68/1329756968.db2.gz QAKLYQVZLHNESN-ZDUSSCGKSA-N 0 0 349.456 3.386 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCC2([C@@H]3CCCCO3)CCC2)cc1F ZINC000866094323 1330065156 /nfs/dbraw/zinc/06/51/56/1330065156.db2.gz SXQISUOHZYKORS-INIZCTEOSA-N 0 0 338.379 3.378 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@]12CCC[C@H]1OCC2 ZINC000866175803 1330073902 /nfs/dbraw/zinc/07/39/02/1330073902.db2.gz NYRDQOWGTWNZCC-OCCSQVGLSA-N 0 0 325.752 3.081 10 5 EGBERN O=[N+]([O-])c1c(NCCSCCC(F)(F)F)nc2ccccn21 ZINC000866184470 1330074771 /nfs/dbraw/zinc/07/47/71/1330074771.db2.gz DJEVGWFFMSYTAG-UHFFFAOYSA-N 0 0 334.323 3.340 10 5 EGBERN O=[N+]([O-])c1cccnc1NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866191588 1330075829 /nfs/dbraw/zinc/07/58/29/1330075829.db2.gz LQKNXYNIQOEKMO-UHFFFAOYSA-N 0 0 341.293 3.154 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3OC)C2)c1 ZINC000866231542 1330081379 /nfs/dbraw/zinc/08/13/79/1330081379.db2.gz DMHYZCIHAYMYDC-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccc([C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)cc1 ZINC000866237239 1330083047 /nfs/dbraw/zinc/08/30/47/1330083047.db2.gz IMCZJIBXPAOEQF-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)Cc2cccnc21 ZINC000866294464 1330091990 /nfs/dbraw/zinc/09/19/90/1330091990.db2.gz ISIDHRXRXZWFDO-UHFFFAOYSA-N 0 0 341.396 3.056 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000868126527 1330252460 /nfs/dbraw/zinc/25/24/60/1330252460.db2.gz TWBTXZRMPAMETH-LBPRGKRZSA-N 0 0 333.413 3.395 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000869233129 1330443671 /nfs/dbraw/zinc/44/36/71/1330443671.db2.gz BYDXXWICBPHLPP-UHFFFAOYSA-N 0 0 332.331 3.276 10 5 EGBERN CCCCC(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000869430021 1330490989 /nfs/dbraw/zinc/49/09/89/1330490989.db2.gz AGDQZKJIJPCLTC-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN CC1(C)CC[C@H](COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)OC1 ZINC000869430442 1330491565 /nfs/dbraw/zinc/49/15/65/1330491565.db2.gz GPAOUWUETOBOTR-SECBINFHSA-N 0 0 329.299 3.235 10 5 EGBERN C[C@H]1OCC[C@@H]1COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000869490433 1330510187 /nfs/dbraw/zinc/51/01/87/1330510187.db2.gz CRBAWSISOOXCSN-CHWSQXEVSA-N 0 0 337.375 3.263 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCSC1 ZINC000869597832 1330530223 /nfs/dbraw/zinc/53/02/23/1330530223.db2.gz AENXMZURFMQXGE-SECBINFHSA-N 0 0 346.811 3.189 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000869596422 1330530436 /nfs/dbraw/zinc/53/04/36/1330530436.db2.gz NYMHASNICHXQOP-SECBINFHSA-N 0 0 348.346 3.487 10 5 EGBERN CC(=O)N1CCC[C@@H]1C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000869630079 1330536962 /nfs/dbraw/zinc/53/69/62/1330536962.db2.gz KZAQGUFRNRNHFN-HXUWFJFHSA-N 0 0 348.402 3.442 10 5 EGBERN Cc1nccn1CCCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809927 1330568560 /nfs/dbraw/zinc/56/85/60/1330568560.db2.gz CADRFOQZDRYTFQ-UHFFFAOYSA-N 0 0 343.383 3.155 10 5 EGBERN O=C(COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccoc1 ZINC000869810621 1330568981 /nfs/dbraw/zinc/56/89/81/1330568981.db2.gz KAALJXKEUZTYSW-UHFFFAOYSA-N 0 0 329.308 3.036 10 5 EGBERN C[C@@H]1CCCC[C@@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001184775248 1387535209 /nfs/dbraw/zinc/53/52/09/1387535209.db2.gz JDQKEUQEMQUWMN-OCCSQVGLSA-N 0 0 329.400 3.462 10 5 EGBERN O=c1[nH]ccc(NCCc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001185037499 1387593365 /nfs/dbraw/zinc/59/33/65/1387593365.db2.gz VNMGQERUQLWDCE-UHFFFAOYSA-N 0 0 327.262 3.369 10 5 EGBERN C[C@H](c1ccccc1)[C@@H](CO)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001185281206 1387668094 /nfs/dbraw/zinc/66/80/94/1387668094.db2.gz DXZMPZXQUDJEPW-BDJLRTHQSA-N 0 0 326.356 3.048 10 5 EGBERN CC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001185621090 1387762232 /nfs/dbraw/zinc/76/22/32/1387762232.db2.gz PCHDXMAIFCRPBH-LLVKDONJSA-N 0 0 339.754 3.474 10 5 EGBERN CN(C(=O)CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CCCCC1 ZINC001185793922 1387800907 /nfs/dbraw/zinc/80/09/07/1387800907.db2.gz XZYXKDBGYQHMKQ-UHFFFAOYSA-N 0 0 346.431 3.072 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)N(C)CCN(C)c2ncccc2[N+](=O)[O-])CC1 ZINC001105436205 1366467595 /nfs/dbraw/zinc/46/75/95/1366467595.db2.gz YJGUGICRERGTCO-SHTZXODSSA-N 0 0 348.447 3.101 10 5 EGBERN COC(=O)[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@H]1C ZINC001186130595 1387876013 /nfs/dbraw/zinc/87/60/13/1387876013.db2.gz DGCWPQSDFPFRQG-IUCAKERBSA-N 0 0 332.278 3.001 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)cc(OC)c1C ZINC001325188115 1387912478 /nfs/dbraw/zinc/91/24/78/1387912478.db2.gz SGDIJWJPUIUWFX-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1c(F)cc([N+](=O)[O-])cc1F ZINC001186396620 1387933717 /nfs/dbraw/zinc/93/37/17/1387933717.db2.gz IAOBDEUIAWISLN-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1OC2CCC1CC2 ZINC001197069332 1368739275 /nfs/dbraw/zinc/73/92/75/1368739275.db2.gz ILXXKPZGZCECLJ-UHFFFAOYSA-N 0 0 327.178 3.416 10 5 EGBERN C[C@H]1Cc2cccc(F)c2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001197124111 1368749023 /nfs/dbraw/zinc/74/90/23/1368749023.db2.gz BBSSTZVOJGZURD-YVEFUNNKSA-N 0 0 330.359 3.466 10 5 EGBERN CO[C@]1(C(F)(F)F)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197324128 1368787798 /nfs/dbraw/zinc/78/77/98/1368787798.db2.gz AOYZXNRPICQYMQ-CQSZACIVSA-N 0 0 348.321 3.017 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCc1cccc(Br)c1Cl ZINC001186712601 1388000178 /nfs/dbraw/zinc/00/01/78/1388000178.db2.gz FCWPOCBDEOAXES-UHFFFAOYSA-N 0 0 345.584 3.356 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC001186731060 1388001445 /nfs/dbraw/zinc/00/14/45/1388001445.db2.gz QOFCGGVLCSFSII-UTLUCORTSA-N 0 0 342.779 3.260 10 5 EGBERN CS(=O)(=O)c1ccc(NCC2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001187199998 1388070650 /nfs/dbraw/zinc/07/06/50/1388070650.db2.gz XWEZTUVIIGWWOO-UHFFFAOYSA-N 0 0 338.429 3.381 10 5 EGBERN COC(=O)[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC001187224144 1388075742 /nfs/dbraw/zinc/07/57/42/1388075742.db2.gz DCJHVRFEZFUIPD-ZDUSSCGKSA-N 0 0 348.305 3.150 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001187305756 1388091690 /nfs/dbraw/zinc/09/16/90/1388091690.db2.gz HLPGTVOEDXOHQY-FDEBYTSZSA-N 0 0 328.290 3.449 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1COc2ccc(F)cc2C1 ZINC001116400792 1370903501 /nfs/dbraw/zinc/90/35/01/1370903501.db2.gz MHWWAYUHMDWVPF-NSHDSACASA-N 0 0 337.328 3.090 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccnc2)CC1 ZINC001116441732 1370911896 /nfs/dbraw/zinc/91/18/96/1370911896.db2.gz PQCSIVDQTWKYDJ-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN COc1cccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC001116501220 1370924840 /nfs/dbraw/zinc/92/48/40/1370924840.db2.gz CYFMSGXVGLNOKQ-QGZVFWFLSA-N 0 0 343.383 3.019 10 5 EGBERN CC(C)c1ccccc1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117761032 1371077208 /nfs/dbraw/zinc/07/72/08/1371077208.db2.gz CGYDMDJZTKZXQF-KRWDZBQOSA-N 0 0 328.368 3.415 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C2CC2)nn1C ZINC001117780571 1371082491 /nfs/dbraw/zinc/08/24/91/1371082491.db2.gz DAHLXPYVRVGPHP-UHFFFAOYSA-N 0 0 328.372 3.383 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001118305473 1371161362 /nfs/dbraw/zinc/16/13/62/1371161362.db2.gz RHRLWJZQOPUZCD-QGZVFWFLSA-N 0 0 347.802 3.440 10 5 EGBERN O=c1[nH]c(C2CC2)nc2c1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001187503406 1388118755 /nfs/dbraw/zinc/11/87/55/1388118755.db2.gz MLIZDQNWQPCVJJ-UHFFFAOYSA-N 0 0 332.747 3.141 10 5 EGBERN O=C(COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001118482761 1371188906 /nfs/dbraw/zinc/18/89/06/1371188906.db2.gz SGWIATVYNDKGMN-RTXFEEFZSA-N 0 0 339.294 3.002 10 5 EGBERN CN(C[C@H](O)c1cccnc1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001187549714 1388125072 /nfs/dbraw/zinc/12/50/72/1388125072.db2.gz CKXDIQRIIDPRAB-LBPRGKRZSA-N 0 0 342.182 3.466 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119445946 1371343743 /nfs/dbraw/zinc/34/37/43/1371343743.db2.gz SAENKFUQFROVDJ-ZDUSSCGKSA-N 0 0 332.356 3.276 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC001119504313 1371356785 /nfs/dbraw/zinc/35/67/85/1371356785.db2.gz CYRXOLKXQKQULZ-UHFFFAOYSA-N 0 0 349.774 3.280 10 5 EGBERN Cc1nc(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC001119837994 1371412253 /nfs/dbraw/zinc/41/22/53/1371412253.db2.gz PVMOWEUGDFHASP-UHFFFAOYSA-N 0 0 339.804 3.262 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3ccnn3-c3ccccc3)nc2c1 ZINC001187647982 1388136476 /nfs/dbraw/zinc/13/64/76/1388136476.db2.gz VVOQDNQEGZHQHT-UHFFFAOYSA-N 0 0 348.366 3.311 10 5 EGBERN C=Cc1ccccc1NC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001208368747 1371738981 /nfs/dbraw/zinc/73/89/81/1371738981.db2.gz MXCYXYSBGOZREK-GOSISDBHSA-N 0 0 341.367 3.267 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CC(Cc2cccc(Br)c2)C1 ZINC001187783629 1388161489 /nfs/dbraw/zinc/16/14/89/1388161489.db2.gz SKRITFQIUUZPJM-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001121286442 1371922385 /nfs/dbraw/zinc/92/23/85/1371922385.db2.gz OLSKKQRRTRBEOI-BBWFWOEESA-N 0 0 344.411 3.164 10 5 EGBERN CC(C)(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC001123155296 1372389648 /nfs/dbraw/zinc/38/96/48/1372389648.db2.gz XCVNWKPIMROVBG-UHFFFAOYSA-N 0 0 331.372 3.047 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001123255592 1372408509 /nfs/dbraw/zinc/40/85/09/1372408509.db2.gz KIRMSKXNNWOGAN-ZDUSSCGKSA-N 0 0 330.340 3.431 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001123354497 1372439383 /nfs/dbraw/zinc/43/93/83/1372439383.db2.gz ACRBAPGFYRESHQ-SECBINFHSA-N 0 0 342.323 3.300 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001123380493 1372448454 /nfs/dbraw/zinc/44/84/54/1372448454.db2.gz XNKWAAKMZLYNRM-GWCFXTLKSA-N 0 0 339.779 3.281 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001123697072 1372562737 /nfs/dbraw/zinc/56/27/37/1372562737.db2.gz STZQHXZIBOHUHR-JQFCIGGWSA-N 0 0 347.415 3.399 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001124114321 1372675242 /nfs/dbraw/zinc/67/52/42/1372675242.db2.gz HZZOFHYDHDZNBN-HZPDHXFCSA-N 0 0 340.335 3.124 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001124123029 1372676780 /nfs/dbraw/zinc/67/67/80/1372676780.db2.gz BCQHZSVSLXCNCN-LSDHHAIUSA-N 0 0 340.335 3.124 10 5 EGBERN COC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC001124396542 1372698444 /nfs/dbraw/zinc/69/84/44/1372698444.db2.gz OPIJNIHVCMURNY-UHFFFAOYSA-N 0 0 347.302 3.473 10 5 EGBERN COC(=O)Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC001124396607 1372698570 /nfs/dbraw/zinc/69/85/70/1372698570.db2.gz QXWOITAPBMVHIM-UHFFFAOYSA-N 0 0 347.302 3.473 10 5 EGBERN CCc1ccc(C(=O)Oc2cccc(C(=O)OC)c2)cc1[N+](=O)[O-] ZINC001124405388 1372698801 /nfs/dbraw/zinc/69/88/01/1372698801.db2.gz QPWIXEOJVHOEON-UHFFFAOYSA-N 0 0 329.308 3.163 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnc(Br)s1 ZINC001124413870 1372699312 /nfs/dbraw/zinc/69/93/12/1372699312.db2.gz QFIOGVWLCUBKPR-UHFFFAOYSA-N 0 0 343.158 3.171 10 5 EGBERN COC(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001124468407 1372704187 /nfs/dbraw/zinc/70/41/87/1372704187.db2.gz NJIGZMDUSPNCMP-UHFFFAOYSA-N 0 0 329.308 3.217 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc2cnccc2c1 ZINC001124882380 1372737838 /nfs/dbraw/zinc/73/78/38/1372737838.db2.gz USZLRGUYPMXETI-UHFFFAOYSA-N 0 0 335.363 3.344 10 5 EGBERN CCOC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001125040777 1372748915 /nfs/dbraw/zinc/74/89/15/1372748915.db2.gz WUJYTGJDYXGICC-UHFFFAOYSA-N 0 0 344.327 3.119 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)Oc1cccc(C)c1 ZINC001125116354 1372754478 /nfs/dbraw/zinc/75/44/78/1372754478.db2.gz MKGBJUXTYZNOBB-HNNXBMFYSA-N 0 0 343.383 3.194 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001125150027 1372756840 /nfs/dbraw/zinc/75/68/40/1372756840.db2.gz MIZNXFPFRXNOLK-GFCCVEGCSA-N 0 0 344.298 3.074 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ncoc1CCC(F)(F)F ZINC001125338619 1372771853 /nfs/dbraw/zinc/77/18/53/1372771853.db2.gz WGMPXTPSFQQKBW-UHFFFAOYSA-N 0 0 347.224 3.469 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125418742 1372784375 /nfs/dbraw/zinc/78/43/75/1372784375.db2.gz LLZMYVUZQKJFIF-UHFFFAOYSA-N 0 0 334.259 3.308 10 5 EGBERN CCOc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001125689745 1372836966 /nfs/dbraw/zinc/83/69/66/1372836966.db2.gz NHVBFZKZGSMYMC-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC001125924390 1372892427 /nfs/dbraw/zinc/89/24/27/1372892427.db2.gz JZMQZUCSVASVSH-LDYMZIIASA-N 0 0 331.199 3.052 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cccc3nccn32)cc1[N+](=O)[O-] ZINC001126177576 1372946445 /nfs/dbraw/zinc/94/64/45/1372946445.db2.gz HOIGNNHDHASZGH-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001126373423 1372961486 /nfs/dbraw/zinc/96/14/86/1372961486.db2.gz YMMQGOFDFKFFDI-GDNZZTSVSA-N 0 0 334.372 3.392 10 5 EGBERN CCc1ncc(Cl)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001126841316 1373039070 /nfs/dbraw/zinc/03/90/70/1373039070.db2.gz AVUVNHFKOQTZGS-UHFFFAOYSA-N 0 0 348.790 3.266 10 5 EGBERN COc1cc(C)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001126967699 1373060739 /nfs/dbraw/zinc/06/07/39/1373060739.db2.gz SLUKAYUYOWLKCS-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N2CCc3cccc(F)c32)cc1[N+](=O)[O-] ZINC001127060052 1373078441 /nfs/dbraw/zinc/07/84/41/1373078441.db2.gz OVNQDCYBBXPVEX-UHFFFAOYSA-N 0 0 347.321 3.142 10 5 EGBERN Cc1nocc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001127476384 1373130484 /nfs/dbraw/zinc/13/04/84/1373130484.db2.gz GZYHTKGTXRLKPO-MRXNPFEDSA-N 0 0 339.307 3.233 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cccnc21 ZINC001127582161 1373142228 /nfs/dbraw/zinc/14/22/28/1373142228.db2.gz HSXAZJNLARRMES-NSHDSACASA-N 0 0 329.381 3.060 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])O[C@H]1CCOc2ccccc21 ZINC001127709914 1373166014 /nfs/dbraw/zinc/16/60/14/1373166014.db2.gz UFBKCUCFUKDYFL-INIZCTEOSA-N 0 0 331.299 3.343 10 5 EGBERN CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC001128281600 1373245609 /nfs/dbraw/zinc/24/56/09/1373245609.db2.gz QIBZIPAPQXXRQW-VHSXEESVSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001128416277 1373264271 /nfs/dbraw/zinc/26/42/71/1373264271.db2.gz FIXMCKIHRAKDIM-CLLJXQQHSA-N 0 0 338.379 3.366 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC001128472377 1373273375 /nfs/dbraw/zinc/27/33/75/1373273375.db2.gz XPUIOQYYKDFIEQ-WOPDTQHZSA-N 0 0 330.388 3.273 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2c(F)c(F)c(F)cc21 ZINC001128886860 1373320937 /nfs/dbraw/zinc/32/09/37/1373320937.db2.gz DNBYAXIRWKKSRX-UHFFFAOYSA-N 0 0 337.257 3.000 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(n1)CCC2 ZINC001128989521 1373331609 /nfs/dbraw/zinc/33/16/09/1373331609.db2.gz VJRJVGSIXJSKCW-UHFFFAOYSA-N 0 0 336.351 3.072 10 5 EGBERN Cc1c(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC001129134622 1373350546 /nfs/dbraw/zinc/35/05/46/1373350546.db2.gz DKVSPKVPMWUSHV-UHFFFAOYSA-N 0 0 331.372 3.421 10 5 EGBERN Cc1ccc(COC(=O)c2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC001129247242 1373365010 /nfs/dbraw/zinc/36/50/10/1373365010.db2.gz FSSOTAZOGPTJFQ-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN Cc1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cn2ccnc12 ZINC001129402898 1373380670 /nfs/dbraw/zinc/38/06/70/1373380670.db2.gz DFOTWQPEZOSCTD-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN C[C@H]1CCCC[C@]1(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001129500139 1373391222 /nfs/dbraw/zinc/39/12/22/1373391222.db2.gz YSIJSEOMXSJVTR-UGSOOPFHSA-N 0 0 342.399 3.479 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@H]1C1CC1 ZINC001129848677 1373429485 /nfs/dbraw/zinc/42/94/85/1373429485.db2.gz WECBXMRWTWDPAS-CABCVRRESA-N 0 0 331.416 3.339 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001130175451 1373469936 /nfs/dbraw/zinc/46/99/36/1373469936.db2.gz MQGQKXWTWUNHJZ-LSDHHAIUSA-N 0 0 334.335 3.280 10 5 EGBERN COc1ccc(C(=O)Nc2nsc3ccccc32)cc1[N+](=O)[O-] ZINC001130344971 1373498076 /nfs/dbraw/zinc/49/80/76/1373498076.db2.gz ZEDDIRUELYXGOK-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnc2cc[nH]c2c1 ZINC001130758514 1373588137 /nfs/dbraw/zinc/58/81/37/1373588137.db2.gz BYNBWWFZMRFHER-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130760994 1373588953 /nfs/dbraw/zinc/58/89/53/1373588953.db2.gz BHPXTDMELPGOAI-ZIAGYGMSSA-N 0 0 329.356 3.285 10 5 EGBERN O=C(Cc1noc2ccccc12)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956772 1373615845 /nfs/dbraw/zinc/61/58/45/1373615845.db2.gz GNHNUGOYUYIOHD-UHFFFAOYSA-N 0 0 348.318 3.465 10 5 EGBERN Cn1ncc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC001130972149 1373617874 /nfs/dbraw/zinc/61/78/74/1373617874.db2.gz OWTWLAQSVFITAX-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cc1cccn2c(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cnc12 ZINC001130986952 1373621151 /nfs/dbraw/zinc/62/11/51/1373621151.db2.gz OEZCRTCQUDYKLI-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN CCOc1cc(NC(=O)c2ncoc2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001131000369 1373622603 /nfs/dbraw/zinc/62/26/03/1373622603.db2.gz PZSNCIVMKFTHQT-LBPRGKRZSA-N 0 0 347.327 3.085 10 5 EGBERN CSc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)ncn1 ZINC001131436199 1373697725 /nfs/dbraw/zinc/69/77/25/1373697725.db2.gz UEVKFVKWSXHMJD-UHFFFAOYSA-N 0 0 332.385 3.482 10 5 EGBERN Cc1ncccc1[C@H](C)OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001131442914 1373699392 /nfs/dbraw/zinc/69/93/92/1373699392.db2.gz PHJCZJYFZLPARQ-JTQLQIEISA-N 0 0 326.312 3.093 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001326733799 1388293717 /nfs/dbraw/zinc/29/37/17/1388293717.db2.gz OOGSGHPOMLOEKV-UHFFFAOYSA-N 0 0 341.367 3.465 10 5 EGBERN Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc(C)n1 ZINC001326774913 1388307077 /nfs/dbraw/zinc/30/70/77/1388307077.db2.gz DXMHJHYRVJOMHZ-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN O=[N+]([O-])c1ncccc1CSc1nncn1CCc1cccs1 ZINC001188557327 1388329646 /nfs/dbraw/zinc/32/96/46/1388329646.db2.gz RVDOPUGVHXCEQT-UHFFFAOYSA-N 0 0 347.425 3.178 10 5 EGBERN Cc1cnc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cn1 ZINC001131962909 1375073705 /nfs/dbraw/zinc/07/37/05/1375073705.db2.gz SCGSCTDRGYCDLO-GFCCVEGCSA-N 0 0 341.245 3.154 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC001132076788 1375134644 /nfs/dbraw/zinc/13/46/44/1375134644.db2.gz GRUYBHHDYOGJDE-NUEKZKHPSA-N 0 0 328.755 3.316 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ccc(C(C)=O)cc2F)c1 ZINC001188751818 1388371811 /nfs/dbraw/zinc/37/18/11/1388371811.db2.gz PYSWACJRTKCIJA-UHFFFAOYSA-N 0 0 347.298 3.302 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2cc(Cl)cnc2n1 ZINC001132455386 1375397557 /nfs/dbraw/zinc/39/75/57/1375397557.db2.gz FVLOYCWRFILNBW-UHFFFAOYSA-N 0 0 343.730 3.147 10 5 EGBERN COc1cccc(C(=O)N[C@@H](CF)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001132556622 1375462897 /nfs/dbraw/zinc/46/28/97/1375462897.db2.gz ZTRDZMUCLPFNIJ-ZDUSSCGKSA-N 0 0 336.294 3.183 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001132747620 1375543561 /nfs/dbraw/zinc/54/35/61/1375543561.db2.gz WGAICEPKZDHDKU-SFHVURJKSA-N 0 0 341.367 3.231 10 5 EGBERN COc1ccn2c(C(=O)O[C@H](C)c3ccccc3[N+](=O)[O-])cnc2c1 ZINC001132758898 1375550656 /nfs/dbraw/zinc/55/06/56/1375550656.db2.gz ODBLZMMMGRFFGU-LLVKDONJSA-N 0 0 341.323 3.169 10 5 EGBERN CC(=O)c1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC001132834932 1375590893 /nfs/dbraw/zinc/59/08/93/1375590893.db2.gz VUELGEFBGUNCNF-UHFFFAOYSA-N 0 0 341.367 3.140 10 5 EGBERN CC(C)(C(=O)N1CCc2cc(F)cnc21)c1ccc([N+](=O)[O-])cc1F ZINC001133064139 1375753222 /nfs/dbraw/zinc/75/32/22/1375753222.db2.gz IJKGQXLLTYPVNT-UHFFFAOYSA-N 0 0 347.321 3.135 10 5 EGBERN CCOC(=O)c1cc(F)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001133108256 1375780520 /nfs/dbraw/zinc/78/05/20/1375780520.db2.gz BUDBXZJPONGGKE-UHFFFAOYSA-N 0 0 338.316 3.224 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001133377939 1375959955 /nfs/dbraw/zinc/95/99/55/1375959955.db2.gz RSCWMSAJSGAEOV-ZDUSSCGKSA-N 0 0 348.305 3.167 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnccc1C(F)(F)F ZINC001133482577 1376034023 /nfs/dbraw/zinc/03/40/23/1376034023.db2.gz JXJVRZIESZHASM-UHFFFAOYSA-N 0 0 341.245 3.026 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)c1 ZINC001134013097 1376312863 /nfs/dbraw/zinc/31/28/63/1376312863.db2.gz UHXYHEWYCFOIFA-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327195487 1388436662 /nfs/dbraw/zinc/43/66/62/1388436662.db2.gz YGPWYSUAFWGWJO-UTUOFQBUSA-N 0 0 341.310 3.198 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC001134133486 1376384894 /nfs/dbraw/zinc/38/48/94/1376384894.db2.gz NUVNJFAMTHWUSN-NSHDSACASA-N 0 0 333.388 3.239 10 5 EGBERN NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC001134133566 1376385021 /nfs/dbraw/zinc/38/50/21/1376385021.db2.gz OQVUMVDFOJDCFV-UHFFFAOYSA-N 0 0 335.319 3.099 10 5 EGBERN C[C@H]1CC(C)(C)c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c21 ZINC001134150729 1376388413 /nfs/dbraw/zinc/38/84/13/1376388413.db2.gz YMXYCTRKLLJCIB-NSHDSACASA-N 0 0 328.372 3.215 10 5 EGBERN C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134271670 1376447844 /nfs/dbraw/zinc/44/78/44/1376447844.db2.gz ZPNISVDCUHLJLX-QWHCGFSZSA-N 0 0 346.358 3.421 10 5 EGBERN C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC001134502122 1376572124 /nfs/dbraw/zinc/57/21/24/1376572124.db2.gz SEIUITNUGUBXQQ-QWHCGFSZSA-N 0 0 340.379 3.452 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOC12CCCCC2 ZINC001134715500 1376676373 /nfs/dbraw/zinc/67/63/73/1376676373.db2.gz BWUFOMGPVZSCMF-YXMGTMDOSA-N 0 0 330.384 3.216 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001135055343 1376870248 /nfs/dbraw/zinc/87/02/48/1376870248.db2.gz JOWJWHSIGKVABQ-GXTWGEPZSA-N 0 0 336.363 3.055 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001135311940 1377032321 /nfs/dbraw/zinc/03/23/21/1377032321.db2.gz AVFCSULNZDUATG-TVQRCGJNSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1cccc(F)c1F ZINC001265124026 1377146852 /nfs/dbraw/zinc/14/68/52/1377146852.db2.gz PUYDESZKSYXXKG-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN Cc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)c(C)c1 ZINC001135669005 1377179756 /nfs/dbraw/zinc/17/97/56/1377179756.db2.gz WAPGLVCHPBASAO-UHFFFAOYSA-N 0 0 327.384 3.156 10 5 EGBERN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC001136318401 1377377185 /nfs/dbraw/zinc/37/71/85/1377377185.db2.gz BJCDLTGPNLTCAD-UHFFFAOYSA-N 0 0 341.701 3.385 10 5 EGBERN CN(C)c1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136461676 1377395847 /nfs/dbraw/zinc/39/58/47/1377395847.db2.gz MMUCACSDJDKJBB-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001136586705 1377406585 /nfs/dbraw/zinc/40/65/85/1377406585.db2.gz VANBIKIYZLJEGX-UHFFFAOYSA-N 0 0 345.786 3.292 10 5 EGBERN Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1N1CCCC1 ZINC001136742100 1377418950 /nfs/dbraw/zinc/41/89/50/1377418950.db2.gz CFEIXAHZWFORLL-UHFFFAOYSA-N 0 0 349.778 3.132 10 5 EGBERN CC[C@@H]1c2ccccc2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136802447 1377424781 /nfs/dbraw/zinc/42/47/81/1377424781.db2.gz WAODCSAXDXLKSE-LLVKDONJSA-N 0 0 334.763 3.121 10 5 EGBERN CCCCC[C@H](O)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840054 1377428977 /nfs/dbraw/zinc/42/89/77/1377428977.db2.gz BGOJTUUYSSRPCM-HOCLYGCPSA-N 0 0 338.429 3.110 10 5 EGBERN CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001137566174 1377566969 /nfs/dbraw/zinc/56/69/69/1377566969.db2.gz PWDGXFIOJAUYFD-UHFFFAOYSA-N 0 0 348.334 3.141 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001137784779 1377616108 /nfs/dbraw/zinc/61/61/08/1377616108.db2.gz HCZLOYNVLLCCOX-UHFFFAOYSA-N 0 0 340.379 3.089 10 5 EGBERN CC(C)Oc1cc(C(=O)OCC2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC001327374658 1388509158 /nfs/dbraw/zinc/50/91/58/1388509158.db2.gz BKCKDKAKOFACCI-UHFFFAOYSA-N 0 0 337.372 3.090 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC001139851232 1377963152 /nfs/dbraw/zinc/96/31/52/1377963152.db2.gz KIZFCAAAFCWMBG-UHFFFAOYSA-N 0 0 333.731 3.018 10 5 EGBERN C[C@@H]1CC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001139880860 1377970466 /nfs/dbraw/zinc/97/04/66/1377970466.db2.gz WDGRPSVTPLUIOE-NEPJUHHUSA-N 0 0 328.372 3.151 10 5 EGBERN COCc1cnc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)s1 ZINC001140346488 1378050430 /nfs/dbraw/zinc/05/04/30/1378050430.db2.gz SWAMLCLZIYIDBZ-UHFFFAOYSA-N 0 0 343.311 3.037 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1Cl ZINC001141383492 1378315309 /nfs/dbraw/zinc/31/53/09/1378315309.db2.gz SLIASZNAQICVHC-YFKPBYRVSA-N 0 0 347.133 3.255 10 5 EGBERN COc1cc(C(=O)Nc2ccc3oc(CO)cc3c2)ccc1[N+](=O)[O-] ZINC001141466654 1378330621 /nfs/dbraw/zinc/33/06/21/1378330621.db2.gz ZVTWEBWHUHOORC-UHFFFAOYSA-N 0 0 342.307 3.094 10 5 EGBERN CSc1cccc(C(=O)NC/C=C/c2cccnc2)c1[N+](=O)[O-] ZINC001141575677 1378345839 /nfs/dbraw/zinc/34/58/39/1378345839.db2.gz LPUQNISLRSZFAL-GQCTYLIASA-N 0 0 329.381 3.155 10 5 EGBERN CCCOc1cc(C)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141914778 1378394111 /nfs/dbraw/zinc/39/41/11/1378394111.db2.gz FJDBPXFXAAGDGU-UHFFFAOYSA-N 0 0 331.328 3.045 10 5 EGBERN CCCCOc1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001142097769 1378412703 /nfs/dbraw/zinc/41/27/03/1378412703.db2.gz HQCKNPSMPBTSEO-UHFFFAOYSA-N 0 0 330.344 3.003 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001142215244 1378420976 /nfs/dbraw/zinc/42/09/76/1378420976.db2.gz QYXYBHDEZHRPAW-PWSUYJOCSA-N 0 0 337.807 3.387 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001142506346 1378450417 /nfs/dbraw/zinc/45/04/17/1378450417.db2.gz PBIDIUYNIDMKQQ-UHFFFAOYSA-N 0 0 341.411 3.453 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001143093623 1378538598 /nfs/dbraw/zinc/53/85/98/1378538598.db2.gz YNBMHKUOFDYVOD-JTQLQIEISA-N 0 0 344.327 3.287 10 5 EGBERN O=C(NCc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001143390901 1378591610 /nfs/dbraw/zinc/59/16/10/1378591610.db2.gz YHWQUXIRUQRVBY-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN CSCc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001144413240 1378727945 /nfs/dbraw/zinc/72/79/45/1378727945.db2.gz CUPNLTWXKFJSFD-HNNXBMFYSA-N 0 0 332.381 3.130 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001146824298 1378928965 /nfs/dbraw/zinc/92/89/65/1378928965.db2.gz CEIYPDDWEGGCDJ-UHFFFAOYSA-N 0 0 349.249 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)n1 ZINC001148688086 1379242975 /nfs/dbraw/zinc/24/29/75/1379242975.db2.gz TXSDGGGOFIHOCU-UHFFFAOYSA-N 0 0 345.786 3.266 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3ccsc3)o2)cc2c1OCO2 ZINC001327806329 1388598008 /nfs/dbraw/zinc/59/80/08/1388598008.db2.gz JHQFJVYWFLBWHA-UHFFFAOYSA-N 0 0 331.309 3.026 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327815360 1388599729 /nfs/dbraw/zinc/59/97/29/1388599729.db2.gz XHNPSCATCVKQKE-RNLVFQAGSA-N 0 0 331.706 3.413 10 5 EGBERN Cc1nc(-c2cccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)cs1 ZINC001149404242 1379376769 /nfs/dbraw/zinc/37/67/69/1379376769.db2.gz XEJDTKMQVPEFOO-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(OC(C)(C)C)CC1 ZINC001150469017 1379556020 /nfs/dbraw/zinc/55/60/20/1379556020.db2.gz ZMHPDHPICJGPMV-UHFFFAOYSA-N 0 0 338.379 3.462 10 5 EGBERN Cc1ccc(CNC(=O)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC001152086461 1379859727 /nfs/dbraw/zinc/85/97/27/1379859727.db2.gz ZBSITBPTJTXGRH-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCC(O)(C3CC3)C3CC3)c2c1 ZINC001328056266 1388655784 /nfs/dbraw/zinc/65/57/84/1388655784.db2.gz MQOQIBRIXIVHEY-UHFFFAOYSA-N 0 0 348.790 3.154 10 5 EGBERN COc1ccccc1C1(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CCCCC1 ZINC001155042565 1380397724 /nfs/dbraw/zinc/39/77/24/1380397724.db2.gz BRSVAXZBXNHPNE-UHFFFAOYSA-N 0 0 344.371 3.167 10 5 EGBERN Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)c(N)c1[N+](=O)[O-] ZINC001158223114 1381164262 /nfs/dbraw/zinc/16/42/62/1381164262.db2.gz DSTYAYLDGLMNFX-UHFFFAOYSA-N 0 0 344.352 3.454 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1F ZINC001287526766 1381239110 /nfs/dbraw/zinc/23/91/10/1381239110.db2.gz ATTTZZXGSIPAMM-NWDGAFQWSA-N 0 0 344.770 3.414 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccnc2C2CC2)cc1[N+](=O)[O-] ZINC001158724407 1381369114 /nfs/dbraw/zinc/36/91/14/1381369114.db2.gz OEXONLHXLADPDE-UHFFFAOYSA-N 0 0 342.311 3.336 10 5 EGBERN COc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(F)c1 ZINC001287796757 1381377601 /nfs/dbraw/zinc/37/76/01/1381377601.db2.gz OLXVHKABSPCSEV-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C2 ZINC001287839554 1381378418 /nfs/dbraw/zinc/37/84/18/1381378418.db2.gz RQODGBHJBAKIEM-UHFFFAOYSA-N 0 0 334.278 3.038 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(-n3cccc3)ccn2)cc1[N+](=O)[O-] ZINC001287965589 1381452098 /nfs/dbraw/zinc/45/20/98/1381452098.db2.gz SVNXRXSUYQAVOM-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001288212932 1381728241 /nfs/dbraw/zinc/72/82/41/1381728241.db2.gz QBZDIYXVQBFKJP-DTWKUNHWSA-N 0 0 347.293 3.306 10 5 EGBERN COc1ccccc1C(=O)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001288220461 1381734164 /nfs/dbraw/zinc/73/41/64/1381734164.db2.gz ZCQKJNCEKKYJCM-NSHDSACASA-N 0 0 329.308 3.091 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC=C(c2ccccn2)C1 ZINC001159356618 1381774583 /nfs/dbraw/zinc/77/45/83/1381774583.db2.gz GTMIWNNDDRTXOQ-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN O=C(NC[C@@H]1CCC=CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001289651148 1382007036 /nfs/dbraw/zinc/00/70/36/1382007036.db2.gz DXXMIJIZXRYSKS-GFCCVEGCSA-N 0 0 332.356 3.190 10 5 EGBERN O=C(NCc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1Cl ZINC001160140084 1382013207 /nfs/dbraw/zinc/01/32/07/1382013207.db2.gz SZKAARFWBHAFKG-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN Cc1c(NC(=O)Cc2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC001290028249 1382046004 /nfs/dbraw/zinc/04/60/04/1382046004.db2.gz DWNSDRFFINKONI-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC001293789457 1382359131 /nfs/dbraw/zinc/35/91/31/1382359131.db2.gz FHLAMBRZWZDRDE-UHFFFAOYSA-N 0 0 347.133 3.051 10 5 EGBERN O=C(Nc1nccc2ccncc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161280528 1382359499 /nfs/dbraw/zinc/35/94/99/1382359499.db2.gz PBSOKZRXQGIPGT-LSDHHAIUSA-N 0 0 334.335 3.280 10 5 EGBERN Nc1ccc(C(=O)Nc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC001161593456 1382449259 /nfs/dbraw/zinc/44/92/59/1382449259.db2.gz BTOQDQGIDZYPCP-UHFFFAOYSA-N 0 0 330.325 3.146 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001328634853 1388794303 /nfs/dbraw/zinc/79/43/03/1388794303.db2.gz WKGREUIJGNIJLK-RCSLCFTFSA-N 0 0 336.338 3.248 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N(Cc1ccccc1F)C1CCCCC1 ZINC001295234341 1382580006 /nfs/dbraw/zinc/58/00/06/1382580006.db2.gz GLSTUDVAIJWPIH-UHFFFAOYSA-N 0 0 346.362 3.432 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCSC(F)(F)F ZINC001162162845 1382645026 /nfs/dbraw/zinc/64/50/26/1382645026.db2.gz PMVVJQIBNHJLBF-UHFFFAOYSA-N 0 0 338.307 3.355 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)C[C@H](C)O)cc1C ZINC001162596831 1382803959 /nfs/dbraw/zinc/80/39/59/1382803959.db2.gz DHLWILSXYQHCIC-LBPRGKRZSA-N 0 0 338.404 3.289 10 5 EGBERN O=[N+]([O-])c1c(N2CC(OCC(F)F)C2)cccc1C(F)(F)F ZINC001162700719 1382839067 /nfs/dbraw/zinc/83/90/67/1382839067.db2.gz LSIQFPMHZCWUTI-UHFFFAOYSA-N 0 0 326.221 3.084 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CC(OCC(C)C)C3)c2c1 ZINC001162823340 1382886894 /nfs/dbraw/zinc/88/68/94/1382886894.db2.gz IFUATOOHMWBOAQ-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN COCCCOCCN(C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001162921586 1382917330 /nfs/dbraw/zinc/91/73/30/1382917330.db2.gz GUXVBEQBFDUSNW-UHFFFAOYSA-N 0 0 336.310 3.103 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](Oc2ccccc2)C1 ZINC001163181833 1382986993 /nfs/dbraw/zinc/98/69/93/1382986993.db2.gz CTIFDENPQHZHKS-AWEZNQCLSA-N 0 0 330.315 3.027 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H]2COc2ccccc2)nc2ccccn21 ZINC001163346787 1383028364 /nfs/dbraw/zinc/02/83/64/1383028364.db2.gz MSGAFNACPLALCY-AWEZNQCLSA-N 0 0 338.367 3.290 10 5 EGBERN CCn1nccc1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001163759304 1383118833 /nfs/dbraw/zinc/11/88/33/1383118833.db2.gz IDFHCAOIABVIEG-UHFFFAOYSA-N 0 0 331.763 3.047 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)c2ncccc2F)c1F ZINC001297218967 1383129580 /nfs/dbraw/zinc/12/95/80/1383129580.db2.gz URZICIAKZSBFSC-MRVPVSSYSA-N 0 0 339.273 3.207 10 5 EGBERN CC1(C)CCC[C@@](O)(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001163906612 1383134753 /nfs/dbraw/zinc/13/47/53/1383134753.db2.gz MMKWMJIHXKNSKU-HNNXBMFYSA-N 0 0 327.812 3.198 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1Cl ZINC001163952604 1383139108 /nfs/dbraw/zinc/13/91/08/1383139108.db2.gz ULILWARBRKKQJQ-UHFFFAOYSA-N 0 0 345.746 3.267 10 5 EGBERN Cc1cc(N(C)Cc2ccn(C)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164001971 1383145131 /nfs/dbraw/zinc/14/51/31/1383145131.db2.gz JQYJYOKNGPEPCB-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN Cc1cc(C(F)(F)F)nn1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001164152901 1383161116 /nfs/dbraw/zinc/16/11/16/1383161116.db2.gz VWFLKDSSWRAGBM-UHFFFAOYSA-N 0 0 332.257 3.370 10 5 EGBERN COC(=O)c1ccnc(NCCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001164333069 1383178177 /nfs/dbraw/zinc/17/81/77/1383178177.db2.gz RGSLPEBEXWUKIU-UHFFFAOYSA-N 0 0 343.330 3.404 10 5 EGBERN COc1ccccc1N1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001164358459 1383180894 /nfs/dbraw/zinc/18/08/94/1383180894.db2.gz LESLULMIXKZASO-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN Cc1cccc2ncnc(Oc3cc4c(cc3[N+](=O)[O-])OCCO4)c12 ZINC001164358977 1383180967 /nfs/dbraw/zinc/18/09/67/1383180967.db2.gz OQRFGBYRIFUKKS-UHFFFAOYSA-N 0 0 339.307 3.410 10 5 EGBERN COC(=O)c1cccc(COc2ccc(C=O)cc2[N+](=O)[O-])c1Cl ZINC001164535205 1383197121 /nfs/dbraw/zinc/19/71/21/1383197121.db2.gz PDGWDYYNNOSWLA-UHFFFAOYSA-N 0 0 349.726 3.426 10 5 EGBERN COc1ccc(OCc2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 ZINC001164557120 1383198982 /nfs/dbraw/zinc/19/89/82/1383198982.db2.gz VAZVHPCAOUBCQG-UHFFFAOYSA-N 0 0 327.292 3.289 10 5 EGBERN COc1ccc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC001164671964 1383216307 /nfs/dbraw/zinc/21/63/07/1383216307.db2.gz FQGNHVRRCVWEBL-UHFFFAOYSA-N 0 0 335.381 3.194 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1F ZINC001165674024 1383323316 /nfs/dbraw/zinc/32/33/16/1383323316.db2.gz LFKZMXZMKSCFKM-INIZCTEOSA-N 0 0 331.347 3.443 10 5 EGBERN Cc1nn(CCOc2ccc3c(c2)OCO3)c2ccc([N+](=O)[O-])cc12 ZINC001165840738 1383351599 /nfs/dbraw/zinc/35/15/99/1383351599.db2.gz JIMUGNIRUXCUKU-UHFFFAOYSA-N 0 0 341.323 3.061 10 5 EGBERN Cc1cc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c(F)cc1[N+](=O)[O-] ZINC001166029786 1383379080 /nfs/dbraw/zinc/37/90/80/1383379080.db2.gz HUSSNSYGMBKLPC-LRDDRELGSA-N 0 0 325.336 3.149 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC001298311713 1383390545 /nfs/dbraw/zinc/39/05/45/1383390545.db2.gz LXFUKTNVGGSPIM-INIZCTEOSA-N 0 0 348.786 3.362 10 5 EGBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298757693 1383426459 /nfs/dbraw/zinc/42/64/59/1383426459.db2.gz MPQCOUNHZZTNEI-XPKDYRNWSA-N 0 0 334.416 3.301 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001299753054 1383626429 /nfs/dbraw/zinc/62/64/29/1383626429.db2.gz YNWPBMDWGSLWRL-WMZOPIPTSA-N 0 0 344.342 3.279 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001300116320 1383644977 /nfs/dbraw/zinc/64/49/77/1383644977.db2.gz HJIRLYUSRBFFCT-ZFWWWQNUSA-N 0 0 340.807 3.255 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NOCCCC(F)(F)F ZINC001302859169 1383770945 /nfs/dbraw/zinc/77/09/45/1383770945.db2.gz MDRHVZUKUHMRGJ-UHFFFAOYSA-N 0 0 349.309 3.177 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001302996360 1383777281 /nfs/dbraw/zinc/77/72/81/1383777281.db2.gz MCILFHZSLJVZTN-LRDDRELGSA-N 0 0 347.321 3.072 10 5 EGBERN O=C(Nc1ccccc1NC1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001303343068 1383794847 /nfs/dbraw/zinc/79/48/47/1383794847.db2.gz VVVRSLLBPNAKPN-UHFFFAOYSA-N 0 0 329.360 3.315 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)cccc1[N+](=O)[O-] ZINC001303406878 1383798255 /nfs/dbraw/zinc/79/82/55/1383798255.db2.gz PXHXZNFHARSLAE-LBPRGKRZSA-N 0 0 343.383 3.445 10 5 EGBERN CCC[C@@](C)(NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001305290820 1383859849 /nfs/dbraw/zinc/85/98/49/1383859849.db2.gz AXEHFYFPLDPPDB-IEBWSBKVSA-N 0 0 342.395 3.460 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@@H](O)c1ccccc1 ZINC001306914092 1383919864 /nfs/dbraw/zinc/91/98/64/1383919864.db2.gz BIYXNIIRHNQQJN-MRXNPFEDSA-N 0 0 343.770 3.364 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCCc2nc3ccccc3[nH]2)cc1F ZINC001306944531 1383924451 /nfs/dbraw/zinc/92/44/51/1383924451.db2.gz PBHWMWLOAQHMCB-UHFFFAOYSA-N 0 0 344.346 3.147 10 5 EGBERN CCc1ccc(Oc2nccc(C(=O)OC)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001306965145 1383927391 /nfs/dbraw/zinc/92/73/91/1383927391.db2.gz VTXIGQORPJKDMP-UHFFFAOYSA-N 0 0 347.283 3.039 10 5 EGBERN CC[C@@H]1CCCC[C@@H]1N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001306999546 1383931725 /nfs/dbraw/zinc/93/17/25/1383931725.db2.gz NSDLIRKBJQVZNS-OCCSQVGLSA-N 0 0 335.404 3.490 10 5 EGBERN CSc1cc(NCCc2ccccc2[N+](=O)[O-])nc(SC)n1 ZINC001307110944 1383941527 /nfs/dbraw/zinc/94/15/27/1383941527.db2.gz WXRXDKRZNHXTIB-UHFFFAOYSA-N 0 0 336.442 3.483 10 5 EGBERN Cc1nc(N(C)Cc2ccc3c(c2)OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC001307152375 1383947032 /nfs/dbraw/zinc/94/70/32/1383947032.db2.gz AEFPKZGAMISDRW-UHFFFAOYSA-N 0 0 337.282 3.256 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCC=C(Cl)C3)c2c1 ZINC001307157776 1383947654 /nfs/dbraw/zinc/94/76/54/1383947654.db2.gz YCXKRZCZDDJCJH-UHFFFAOYSA-N 0 0 334.719 3.384 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cccc1C(F)(F)F ZINC001307185765 1383952382 /nfs/dbraw/zinc/95/23/82/1383952382.db2.gz MISZOTUUJILENW-JTKVUXJHSA-N 0 0 328.290 3.449 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCC[C@@H](O)C1CCCC1 ZINC001307190802 1383954280 /nfs/dbraw/zinc/95/42/80/1383954280.db2.gz CTJJZYBGZOGUDP-GFCCVEGCSA-N 0 0 344.209 3.105 10 5 EGBERN CCn1c2ccccc2nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1=O ZINC001307201113 1383955388 /nfs/dbraw/zinc/95/53/88/1383955388.db2.gz KNTQLMIGJBKRRS-LBPRGKRZSA-N 0 0 338.367 3.498 10 5 EGBERN COC(=O)c1cnc(CNc2ccc([N+](=O)[O-])cc2C(F)F)s1 ZINC001307211195 1383957698 /nfs/dbraw/zinc/95/76/98/1383957698.db2.gz RRHTXJMJAWTIJX-UHFFFAOYSA-N 0 0 343.311 3.388 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC(Cc2ccc(Br)cc2)C1 ZINC001307222468 1383959286 /nfs/dbraw/zinc/95/92/86/1383959286.db2.gz JNWHESXRPBMWLG-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CF)c1ccc(F)cc1 ZINC001308020913 1384076275 /nfs/dbraw/zinc/07/62/75/1384076275.db2.gz XIAPLWNHYWBYEA-CQSZACIVSA-N 0 0 349.337 3.281 10 5 EGBERN CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001328933144 1388905073 /nfs/dbraw/zinc/90/50/73/1388905073.db2.gz XEZPPKDHYZBPAI-RDTXWAMCSA-N 0 0 342.395 3.371 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001310095615 1384211554 /nfs/dbraw/zinc/21/15/54/1384211554.db2.gz QEEDRRXAZRYQNM-UHFFFAOYSA-N 0 0 327.340 3.162 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1Br ZINC001335885987 1388958846 /nfs/dbraw/zinc/95/88/46/1388958846.db2.gz UVNJVHZFDUWUSK-UWVGGRQHSA-N 0 0 343.221 3.091 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001329095262 1388968178 /nfs/dbraw/zinc/96/81/78/1388968178.db2.gz NJKPVMBGNUQRQF-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc3cnccc3o2)c1 ZINC001175162089 1385209659 /nfs/dbraw/zinc/20/96/59/1385209659.db2.gz XEMLMHINJJCOIW-UHFFFAOYSA-N 0 0 343.364 3.388 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1cccc2cc[nH]c21 ZINC001175196142 1385217330 /nfs/dbraw/zinc/21/73/30/1385217330.db2.gz WLKMYRXAZDPTLS-UHFFFAOYSA-N 0 0 338.367 3.459 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cc2cnccc2o1 ZINC001175437629 1385288826 /nfs/dbraw/zinc/28/88/26/1385288826.db2.gz MCQKTYNKTRMFNO-VIFPVBQESA-N 0 0 329.287 3.366 10 5 EGBERN CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001175521897 1385319430 /nfs/dbraw/zinc/31/94/30/1385319430.db2.gz CDLLXYIZCNAOOI-HNNXBMFYSA-N 0 0 326.352 3.295 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001176047800 1385472502 /nfs/dbraw/zinc/47/25/02/1385472502.db2.gz YORHZQFVHSZDOR-GOSISDBHSA-N 0 0 325.368 3.328 10 5 EGBERN Cc1cc(-c2ncccc2NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cs1 ZINC001177527005 1385985847 /nfs/dbraw/zinc/98/58/47/1385985847.db2.gz QLGHFKJHWWNEDO-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(-c3ccco3)c2)c(N)c1[N+](=O)[O-] ZINC001179878868 1386616266 /nfs/dbraw/zinc/61/62/66/1386616266.db2.gz GCCPJCHZNRPQBW-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC001321004606 1386781139 /nfs/dbraw/zinc/78/11/39/1386781139.db2.gz CSPNKQQLYLBAND-UHFFFAOYSA-N 0 0 330.321 3.177 10 5 EGBERN Cc1cc(C)cc(OCc2nnc(-c3ccc([N+](=O)[O-])cn3)o2)c1 ZINC001322075396 1387045923 /nfs/dbraw/zinc/04/59/23/1387045923.db2.gz MJPILPFNSBEYIW-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Nc1c(-c2nnc(-c3cccc4cccnc43)o2)cccc1[N+](=O)[O-] ZINC001322502800 1387197071 /nfs/dbraw/zinc/19/70/71/1387197071.db2.gz LOPUWGHHEXVISE-UHFFFAOYSA-N 0 0 333.307 3.442 10 5 EGBERN COc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cnc3C)o2)c(OC)c1 ZINC001322515088 1387198703 /nfs/dbraw/zinc/19/87/03/1387198703.db2.gz FHELUBJARKLIBR-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001330072695 1389299943 /nfs/dbraw/zinc/29/99/43/1389299943.db2.gz FVRGANKXKPSHIC-GUDFOSOFSA-N 0 0 326.299 3.145 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001330775112 1389523645 /nfs/dbraw/zinc/52/36/45/1389523645.db2.gz QUWRNMJLFBDHQY-SUMWQHHRSA-N 0 0 347.415 3.071 10 5 EGBERN COc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1OC ZINC001338234356 1389597162 /nfs/dbraw/zinc/59/71/62/1389597162.db2.gz IFUWGWZMEXCWML-UHFFFAOYSA-N 0 0 346.358 3.309 10 5 EGBERN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC001331523534 1389782308 /nfs/dbraw/zinc/78/23/08/1389782308.db2.gz JLDNJEGHVIJYEG-QGZVFWFLSA-N 0 0 328.368 3.245 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001332127209 1389998945 /nfs/dbraw/zinc/99/89/45/1389998945.db2.gz IZDLXGFDHCKCPI-UHFFFAOYSA-N 0 0 338.726 3.251 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)C2 ZINC001332659012 1390145039 /nfs/dbraw/zinc/14/50/39/1390145039.db2.gz ZZNSCPYZOGMKPR-UONOGXRCSA-N 0 0 330.306 3.410 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccsc3[C@@H]2C)c1 ZINC001333698771 1390377485 /nfs/dbraw/zinc/37/74/85/1390377485.db2.gz QKVXZFFYGNCACR-JTQLQIEISA-N 0 0 332.381 3.424 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1OC ZINC001334333806 1390518446 /nfs/dbraw/zinc/51/84/46/1390518446.db2.gz SVZBQPKAMYEQAO-SGMGOOAPSA-N 0 0 348.399 3.311 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001334740244 1390578054 /nfs/dbraw/zinc/57/80/54/1390578054.db2.gz NBEKXDYGWOTSMB-HONMWMINSA-N 0 0 349.337 3.169 10 5 EGBERN C[C@H](NC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC001334853939 1390606012 /nfs/dbraw/zinc/60/60/12/1390606012.db2.gz BDMIFCBFYQGEOH-ZWKOPEQDSA-N 0 0 346.305 3.272 10 5 EGBERN CO[C@@]12CCC[C@]1(COC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC001344837744 1390818164 /nfs/dbraw/zinc/81/81/64/1390818164.db2.gz DRAFFOZSFXXPFD-QZTJIDSGSA-N 0 0 349.383 3.302 10 5 EGBERN CC1(C)C[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001344971039 1390828223 /nfs/dbraw/zinc/82/82/23/1390828223.db2.gz FQPLNGYAHRAHPQ-LBPRGKRZSA-N 0 0 339.413 3.435 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC001345689913 1390876584 /nfs/dbraw/zinc/87/65/84/1390876584.db2.gz RFUXDGBENWMAOU-QMMMGPOBSA-N 0 0 343.792 3.014 10 5 EGBERN CC1(C)[C@@H](O)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939834 1390895625 /nfs/dbraw/zinc/89/56/25/1390895625.db2.gz VDOQUHBKXLBDIU-HNNXBMFYSA-N 0 0 329.356 3.125 10 5 EGBERN C[C@@H](c1nnc(N2CCC(C3CCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001346080198 1390905854 /nfs/dbraw/zinc/90/58/54/1390905854.db2.gz WRGWIHXISGKJTJ-LBPRGKRZSA-N 0 0 333.436 3.042 10 5 EGBERN Cc1ccc(CCC(=O)Oc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC001346706257 1390971921 /nfs/dbraw/zinc/97/19/21/1390971921.db2.gz HYJUKWDRZUHIQB-UHFFFAOYSA-N 0 0 349.364 3.274 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2ccc(Br)cc2[N+](=O)[O-])CO1 ZINC001346747895 1390977234 /nfs/dbraw/zinc/97/72/34/1390977234.db2.gz ZMNSVOSYKXBYTF-SECBINFHSA-N 0 0 344.161 3.082 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001347533712 1391088739 /nfs/dbraw/zinc/08/87/39/1391088739.db2.gz CDJYKTMAXGWOFN-GOEBONIOSA-N 0 0 349.387 3.169 10 5 EGBERN CC(C)C1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)COC1 ZINC001347928777 1391147631 /nfs/dbraw/zinc/14/76/31/1391147631.db2.gz REOPFTSNSVLGFA-UHFFFAOYSA-N 0 0 347.396 3.329 10 5 EGBERN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001348034556 1391163438 /nfs/dbraw/zinc/16/34/38/1391163438.db2.gz CLELEXMAZVSEAP-OLZOCXBDSA-N 0 0 346.412 3.387 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)n1 ZINC001348439853 1391219741 /nfs/dbraw/zinc/21/97/41/1391219741.db2.gz SQYKCAJAEXILMK-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN O=C(O[C@H]1CCCc2nccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001348824680 1391271589 /nfs/dbraw/zinc/27/15/89/1391271589.db2.gz MASCRCPZBDDDHT-ZDUSSCGKSA-N 0 0 333.731 3.273 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC001348988682 1391293163 /nfs/dbraw/zinc/29/31/63/1391293163.db2.gz ZFNFWEZRXKRXHI-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)n1 ZINC001349006406 1391295710 /nfs/dbraw/zinc/29/57/10/1391295710.db2.gz KJTVHYOUSUXUAU-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC001349067548 1391300412 /nfs/dbraw/zinc/30/04/12/1391300412.db2.gz FVGIPLSWWGIDLN-OAQKJQOQSA-N 0 0 328.315 3.484 10 5 EGBERN CC(C)CN(CC(C)C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349366058 1391323912 /nfs/dbraw/zinc/32/39/12/1391323912.db2.gz WBJYNNLUOXHDSG-QGZVFWFLSA-N 0 0 347.415 3.228 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(C)cc(Br)c1F ZINC001349805398 1391369419 /nfs/dbraw/zinc/36/94/19/1391369419.db2.gz ITCBRAGXDFNRPN-MRVPVSSYSA-N 0 0 334.141 3.109 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001350019457 1391398881 /nfs/dbraw/zinc/39/88/81/1391398881.db2.gz CTIJINGATRJRHD-JTQLQIEISA-N 0 0 329.308 3.146 10 5 EGBERN C[C@@H]1c2sccc2CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001350306407 1391444514 /nfs/dbraw/zinc/44/45/14/1391444514.db2.gz VGKSSJVJGJGUIG-SECBINFHSA-N 0 0 346.364 3.145 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC001350371587 1391454721 /nfs/dbraw/zinc/45/47/21/1391454721.db2.gz KRJZPHNNLQQQJW-UHFFFAOYSA-N 0 0 343.270 3.312 10 5 EGBERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001350407164 1391459704 /nfs/dbraw/zinc/45/97/04/1391459704.db2.gz GIEPCVTVMYGSHF-NSHDSACASA-N 0 0 337.376 3.179 10 5 EGBERN Nc1c(NC(=O)N[C@H]2CCC[C@@H](F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC001350614170 1391490291 /nfs/dbraw/zinc/49/02/91/1391490291.db2.gz BQSQZYCHVDYFKI-BDAKNGLRSA-N 0 0 330.747 3.233 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001350615996 1391490804 /nfs/dbraw/zinc/49/08/04/1391490804.db2.gz SEQWSCYYRGBJOD-SFHVURJKSA-N 0 0 327.336 3.297 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)c2ncccc2c1 ZINC001351109577 1391598473 /nfs/dbraw/zinc/59/84/73/1391598473.db2.gz QOUDBKLSMSNVSC-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN COC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001351762167 1391686671 /nfs/dbraw/zinc/68/66/71/1391686671.db2.gz BRJHGMOGQQVVKC-JKSUJKDBSA-N 0 0 341.319 3.091 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(c2ccccc2)CCCO1 ZINC001352634066 1391827067 /nfs/dbraw/zinc/82/70/67/1391827067.db2.gz BBMVXGIOGIZPAH-KRWDZBQOSA-N 0 0 330.315 3.378 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc2c1OC(F)(F)O2 ZINC001352765657 1391844320 /nfs/dbraw/zinc/84/43/20/1391844320.db2.gz ZBTVUQCSNMTQRU-UHFFFAOYSA-N 0 0 337.234 3.273 10 5 EGBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353011414 1391910523 /nfs/dbraw/zinc/91/05/23/1391910523.db2.gz JTZDUTSDMNETOW-VMGRFDJRSA-N 0 0 345.399 3.125 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ocnc1C(F)F ZINC001353878453 1392104699 /nfs/dbraw/zinc/10/46/99/1392104699.db2.gz WHIXAERZJQRAGF-UHFFFAOYSA-N 0 0 345.689 3.446 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)N1CCc3cc([N+](=O)[O-])ccc31)CO2 ZINC001353901985 1392106905 /nfs/dbraw/zinc/10/69/05/1392106905.db2.gz XIRCASXKKIFMCE-UHFFFAOYSA-N 0 0 336.347 3.268 10 5 EGBERN Nc1c(C(=O)NC2CC3(CC3(F)F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001354093660 1392120076 /nfs/dbraw/zinc/12/00/76/1392120076.db2.gz VYRFJEYWKNJTBX-UHFFFAOYSA-N 0 0 347.321 3.248 10 5 EGBERN Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C ZINC001354127504 1392121721 /nfs/dbraw/zinc/12/17/21/1392121721.db2.gz JJCQIXXQDZRSKB-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN COc1cccn2ncc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC001354614548 1392156303 /nfs/dbraw/zinc/15/63/03/1392156303.db2.gz MXUNWEVEZAJOQG-NSHDSACASA-N 0 0 341.323 3.169 10 5 EGBERN Cc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1[N+](=O)[O-] ZINC001355067270 1392190785 /nfs/dbraw/zinc/19/07/85/1392190785.db2.gz SONJGCKJTWXIKB-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1sccc1C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001698987244 1406771780 /nfs/dbraw/zinc/77/17/80/1406771780.db2.gz JUHIYSOQBIYDPI-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN CCN(CCCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001689926686 1404212025 /nfs/dbraw/zinc/21/20/25/1404212025.db2.gz KJTRUGSDWWAZDK-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)NCCN(C)c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001690210628 1404418401 /nfs/dbraw/zinc/41/84/01/1404418401.db2.gz KRKNIRRITXAXMK-SHTZXODSSA-N 0 0 348.447 3.067 10 5 EGBERN CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC001691808781 1405521565 /nfs/dbraw/zinc/52/15/65/1405521565.db2.gz IAKHWQIGQWKFIJ-GPYPFEAASA-N 0 0 349.456 3.188 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1[C@H]1C[C@@H]1C ZINC001693472334 1406018945 /nfs/dbraw/zinc/01/89/45/1406018945.db2.gz UQQHNRBWMXJWIH-ZBEGNZNMSA-N 0 0 327.388 3.245 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693605219 1406028845 /nfs/dbraw/zinc/02/88/45/1406028845.db2.gz YTUZURVHFNQDSA-TZMCWYRMSA-N 0 0 327.388 3.110 10 5 EGBERN CCC1(Cn2c(C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001694475390 1406052266 /nfs/dbraw/zinc/05/22/66/1406052266.db2.gz UKUUDBCZPYUXNE-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN O=C(CCC1CCCCC1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001732116965 1428369786 /nfs/dbraw/zinc/36/97/86/1428369786.db2.gz XKCCXHLZWXERPR-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001700970487 1414593932 /nfs/dbraw/zinc/59/39/32/1414593932.db2.gz PZZILOUDBZAFJS-UHFFFAOYSA-N 0 0 339.411 3.012 10 5 EGBERN CC/C=C\Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001709382054 1417435719 /nfs/dbraw/zinc/43/57/19/1417435719.db2.gz LNIDXIAXFZAZHL-PLNGDYQASA-N 0 0 327.388 3.024 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001709745020 1417450256 /nfs/dbraw/zinc/45/02/56/1417450256.db2.gz CUQKAPRKKFNNRH-CHWSQXEVSA-N 0 0 329.404 3.356 10 5 EGBERN C/C(=C\C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001713554527 1418344641 /nfs/dbraw/zinc/34/46/41/1418344641.db2.gz XDUSWWCKPVHDLW-XYOKQWHBSA-N 0 0 349.456 3.093 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1C ZINC001730965094 1427185643 /nfs/dbraw/zinc/18/56/43/1427185643.db2.gz KMLOOGDNBRKAMH-OCCSQVGLSA-N 0 0 345.403 3.287 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1[C@@H]1C[C@@H]1C ZINC001762888031 1441379439 /nfs/dbraw/zinc/37/94/39/1441379439.db2.gz YIBCHMSKWCNSGT-SWLSCSKDSA-N 0 0 329.404 3.009 10 5 EGBERN O=C(Nc1nc(-c2ccccc2F)co1)c1ccc([N+](=O)[O-])cn1 ZINC000368447023 168357109 /nfs/dbraw/zinc/35/71/09/168357109.db2.gz OLNHTDZVPOYFQS-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN CCN(Cc1nc(-c2ccco2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000097679539 219047234 /nfs/dbraw/zinc/04/72/34/219047234.db2.gz CLJAJUIAUHCYMH-UHFFFAOYSA-N 0 0 328.328 3.260 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2c(Cl)cccc21 ZINC000189834922 282167651 /nfs/dbraw/zinc/16/76/51/282167651.db2.gz ONLFIBCETZSRTM-VIFPVBQESA-N 0 0 347.758 3.379 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808280 529750184 /nfs/dbraw/zinc/75/01/84/529750184.db2.gz RPXLTDJVTRPUKR-JSGCOSHPSA-N 0 0 329.404 3.243 10 5 EGBERN COC(=O)CSCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004390724 210186586 /nfs/dbraw/zinc/18/65/86/210186586.db2.gz GWSBCTURRDVEQT-UHFFFAOYSA-N 0 0 338.410 3.167 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004191567 210141447 /nfs/dbraw/zinc/14/14/47/210141447.db2.gz YLVMYQKCXIKRBD-UHFFFAOYSA-N 0 0 326.268 3.144 10 5 EGBERN CCOc1ccc(C(=O)NCCCCc2nccs2)cc1[N+](=O)[O-] ZINC000065500967 214935676 /nfs/dbraw/zinc/93/56/76/214935676.db2.gz NOFKKWKUTUGZJS-UHFFFAOYSA-N 0 0 349.412 3.203 10 5 EGBERN COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000003442203 210040216 /nfs/dbraw/zinc/04/02/16/210040216.db2.gz BCWFVTOMCIMSAX-LBPRGKRZSA-N 0 0 343.335 3.340 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N(CC(F)(F)F)C1CC1 ZINC000042801765 213533969 /nfs/dbraw/zinc/53/39/69/213533969.db2.gz RIJKPBNYFKYYKL-UHFFFAOYSA-N 0 0 340.099 3.283 10 5 EGBERN COc1ccccc1Oc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040660462 213365062 /nfs/dbraw/zinc/36/50/62/213365062.db2.gz FLWKMCSEVXQFHA-UHFFFAOYSA-N 0 0 340.295 3.373 10 5 EGBERN CCOc1ccccc1Nc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040609345 213358312 /nfs/dbraw/zinc/35/83/12/213358312.db2.gz ALTKROMUBWODOU-UHFFFAOYSA-N 0 0 329.360 3.127 10 5 EGBERN COCCNc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040627166 213361680 /nfs/dbraw/zinc/36/16/80/213361680.db2.gz PIKNCRGXRSYBOR-UHFFFAOYSA-N 0 0 339.355 3.340 10 5 EGBERN CN(C)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040608446 213358097 /nfs/dbraw/zinc/35/80/97/213358097.db2.gz GEYLHFDLDNDSQA-UHFFFAOYSA-N 0 0 327.266 3.213 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000372038322 168688992 /nfs/dbraw/zinc/68/89/92/168688992.db2.gz NMBPBMZYXKPLEE-NSHDSACASA-N 0 0 342.342 3.152 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc([N+](=O)[O-])cn2)C1 ZINC000040434880 213304260 /nfs/dbraw/zinc/30/42/60/213304260.db2.gz VDSNKAVVLFWMIZ-GFCCVEGCSA-N 0 0 337.376 3.016 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN(Cc1nccn1C(F)F)C1CC1 ZINC000069583471 215485083 /nfs/dbraw/zinc/48/50/83/215485083.db2.gz OYMBAPCQAIIXLS-UHFFFAOYSA-N 0 0 340.305 3.490 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000039973903 213247493 /nfs/dbraw/zinc/24/74/93/213247493.db2.gz ZFKLNFAADOMMNJ-UHFFFAOYSA-N 0 0 326.761 3.357 10 5 EGBERN COc1cc(CN2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184250039 235346082 /nfs/dbraw/zinc/34/60/82/235346082.db2.gz BLQOCXDVBVBRBU-UHFFFAOYSA-N 0 0 340.395 3.380 10 5 EGBERN Cc1sc(C(=O)NCc2ccc(C(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000186929966 236067244 /nfs/dbraw/zinc/06/72/44/236067244.db2.gz WPDJSXYMXPNIAT-UHFFFAOYSA-N 0 0 334.397 3.122 10 5 EGBERN C[C@H](SC1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000131262186 223218244 /nfs/dbraw/zinc/21/82/44/223218244.db2.gz YUEHSITXEUGZAG-VIFPVBQESA-N 0 0 344.820 3.487 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109091975 219946557 /nfs/dbraw/zinc/94/65/57/219946557.db2.gz CPGKPXYKFFGJAW-HUUCEWRRSA-N 0 0 346.333 3.335 10 5 EGBERN C[C@@H](NC(=O)NC[C@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000346456662 296082731 /nfs/dbraw/zinc/08/27/31/296082731.db2.gz UYMDKSMOIDRQKK-UKRRQHHQSA-N 0 0 349.431 3.144 10 5 EGBERN CC(C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359007109 241897151 /nfs/dbraw/zinc/89/71/51/241897151.db2.gz XFMCCNJGSISYOU-UHFFFAOYSA-N 0 0 328.315 3.362 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@@H]1c1ccc(F)cc1 ZINC000021092668 212206065 /nfs/dbraw/zinc/20/60/65/212206065.db2.gz QFGWPJPJMMFZBG-CQSZACIVSA-N 0 0 335.316 3.035 10 5 EGBERN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000339065784 296135186 /nfs/dbraw/zinc/13/51/86/296135186.db2.gz HEZPFMGFOXJIQE-CYBMUJFWSA-N 0 0 338.367 3.337 10 5 EGBERN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000374929051 168788039 /nfs/dbraw/zinc/78/80/39/168788039.db2.gz OYESCPCWEGWDJP-SJKOYZFVSA-N 0 0 341.367 3.222 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185301819 284360083 /nfs/dbraw/zinc/36/00/83/284360083.db2.gz RPKGIVPSLNQEKY-AWEZNQCLSA-N 0 0 348.742 3.316 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@@H]1c1ccncc1 ZINC000363856025 296227396 /nfs/dbraw/zinc/22/73/96/296227396.db2.gz IPCNPMCYPNYJQV-MRXNPFEDSA-N 0 0 326.356 3.142 10 5 EGBERN CCN(CC)C(=O)[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000053581687 284517319 /nfs/dbraw/zinc/51/73/19/284517319.db2.gz IAIAJEYNXXTGLJ-HNNXBMFYSA-N 0 0 328.372 3.011 10 5 EGBERN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000265200951 247292425 /nfs/dbraw/zinc/29/24/25/247292425.db2.gz ASPWLUGAHIVWLL-GFCCVEGCSA-N 0 0 336.369 3.022 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378389383 169112824 /nfs/dbraw/zinc/11/28/24/169112824.db2.gz RPUISAXDTSXTFG-LPHOPBHVSA-N 0 0 340.379 3.031 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407965889 169154340 /nfs/dbraw/zinc/15/43/40/169154340.db2.gz MFXCSRVNMHRGAX-KGLIPLIRSA-N 0 0 331.416 3.313 10 5 EGBERN COc1ccccc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1C ZINC000012403203 211369011 /nfs/dbraw/zinc/36/90/11/211369011.db2.gz FNTHTKBOTYHXNV-UHFFFAOYSA-N 0 0 345.380 3.039 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)Cc2c(C)noc2C)cc(C)c1[N+](=O)[O-] ZINC000268449762 251924301 /nfs/dbraw/zinc/92/43/01/251924301.db2.gz AHMFUCQCXJOCIB-JTQLQIEISA-N 0 0 347.371 3.338 10 5 EGBERN CCc1noc(CC)c1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000268517335 251986615 /nfs/dbraw/zinc/98/66/15/251986615.db2.gz YVTDCVPXFAKHIZ-UHFFFAOYSA-N 0 0 347.371 3.415 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCC[C@@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000368392813 285087324 /nfs/dbraw/zinc/08/73/24/285087324.db2.gz HJVTYOUKSKIFMV-MRVPVSSYSA-N 0 0 342.186 3.404 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Oc2cnccn2)CC1 ZINC000365976477 285089470 /nfs/dbraw/zinc/08/94/70/285089470.db2.gz OWDJCJAXTDCFID-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000097049469 218933013 /nfs/dbraw/zinc/93/30/13/218933013.db2.gz VFELCOYQSTUFGZ-OIISXLGYSA-N 0 0 349.431 3.238 10 5 EGBERN Cc1onc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000004937321 210329682 /nfs/dbraw/zinc/32/96/82/210329682.db2.gz YWYLZGSWLGFBMH-UHFFFAOYSA-N 0 0 331.206 3.042 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000153686986 224141740 /nfs/dbraw/zinc/14/17/40/224141740.db2.gz FTPCCQKGDOAYMS-CYBMUJFWSA-N 0 0 339.804 3.278 10 5 EGBERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000112712448 220383103 /nfs/dbraw/zinc/38/31/03/220383103.db2.gz IMDYSKAILDKDEL-UHFFFAOYSA-N 0 0 343.387 3.042 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000328595379 258043408 /nfs/dbraw/zinc/04/34/08/258043408.db2.gz SPPZTZGHDIPRNA-UHFFFAOYSA-N 0 0 347.321 3.278 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000187718684 533378759 /nfs/dbraw/zinc/37/87/59/533378759.db2.gz NRXUQXUHUOCUES-LBPRGKRZSA-N 0 0 343.387 3.426 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nnc2n1CCCC2 ZINC000131155738 533557384 /nfs/dbraw/zinc/55/73/84/533557384.db2.gz NZZZZQJJMDDXAE-LLVKDONJSA-N 0 0 338.371 3.244 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2nc(C(C)C)cs2)cc([N+](=O)[O-])c1 ZINC000010637749 140763259 /nfs/dbraw/zinc/76/32/59/140763259.db2.gz LSDWKARRACEQJB-UHFFFAOYSA-N 0 0 349.368 3.214 10 5 EGBERN Cc1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000014406983 140766789 /nfs/dbraw/zinc/76/67/89/140766789.db2.gz HOWXWDPTUPTXMM-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CCc1ccc([C@H](NCc2ccnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346483632 141204502 /nfs/dbraw/zinc/20/45/02/141204502.db2.gz IYGRJSXQDGVQAO-GOSISDBHSA-N 0 0 340.383 3.363 10 5 EGBERN CN(Cc1c(F)cccc1Cl)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347932618 141219554 /nfs/dbraw/zinc/21/95/54/141219554.db2.gz UIYBNSGNMBKPGX-UHFFFAOYSA-N 0 0 335.726 3.066 10 5 EGBERN O=C(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000347992851 141230495 /nfs/dbraw/zinc/23/04/95/141230495.db2.gz MHJNEWOGCHZZJB-UHFFFAOYSA-N 0 0 342.326 3.108 10 5 EGBERN COc1cccc(C(=O)Nc2cc(F)cc(F)c2F)c1[N+](=O)[O-] ZINC000348176306 141245440 /nfs/dbraw/zinc/24/54/40/141245440.db2.gz XTCGXHICAVCSLP-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1ccccc1Cl)CC2 ZINC000353003597 141283464 /nfs/dbraw/zinc/28/34/64/141283464.db2.gz JIMXUARSSBHWMG-UHFFFAOYSA-N 0 0 333.775 3.080 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-n2cccn2)no1 ZINC000356268853 141332061 /nfs/dbraw/zinc/33/20/61/141332061.db2.gz AQOKZSQYHZGRMR-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000356283829 141335888 /nfs/dbraw/zinc/33/58/88/141335888.db2.gz PBHFPZCXZFKTFZ-AWEZNQCLSA-N 0 0 334.397 3.243 10 5 EGBERN C[C@H]1CCSCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000361386696 141416114 /nfs/dbraw/zinc/41/61/14/141416114.db2.gz NUGYEVYKEKIWAH-VIFPVBQESA-N 0 0 346.355 3.164 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646548 144009126 /nfs/dbraw/zinc/00/91/26/144009126.db2.gz BZNXYJFPFJNCPL-CYBMUJFWSA-N 0 0 331.397 3.000 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCC[C@@H]2O ZINC000183837599 144080403 /nfs/dbraw/zinc/08/04/03/144080403.db2.gz NMKHUHDNKDKNHE-AWEZNQCLSA-N 0 0 329.312 3.055 10 5 EGBERN COc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1[N+](=O)[O-] ZINC000184077012 144085867 /nfs/dbraw/zinc/08/58/67/144085867.db2.gz VULUFOXERFGOAL-HNNXBMFYSA-N 0 0 330.340 3.031 10 5 EGBERN COc1cc(CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184227468 144089455 /nfs/dbraw/zinc/08/94/55/144089455.db2.gz ZHGIENZATMVMDH-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN CN(CC(=O)NCc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000184592104 144095330 /nfs/dbraw/zinc/09/53/30/144095330.db2.gz GYPATYJBVUQGGG-UHFFFAOYSA-N 0 0 349.337 3.285 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000192483775 144174985 /nfs/dbraw/zinc/17/49/85/144174985.db2.gz GLFKBQPFONVOCC-QMMMGPOBSA-N 0 0 326.328 3.020 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000343189530 144191815 /nfs/dbraw/zinc/19/18/15/144191815.db2.gz APYWKXAZVJHFLG-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)sc2nccn12 ZINC000343214189 144195527 /nfs/dbraw/zinc/19/55/27/144195527.db2.gz SMEXFFAQGVYXTO-VIFPVBQESA-N 0 0 330.369 3.103 10 5 EGBERN CC(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000351816805 144310803 /nfs/dbraw/zinc/31/08/03/144310803.db2.gz SPWNMBXNEWGNKD-ZDUSSCGKSA-N 0 0 336.417 3.147 10 5 EGBERN CC(=O)c1cc(NC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000341169296 155204613 /nfs/dbraw/zinc/20/46/13/155204613.db2.gz NLAUPRQZQAMWMU-ZDUSSCGKSA-N 0 0 328.324 3.049 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@@H]1c1ccccc1 ZINC000341480990 155316769 /nfs/dbraw/zinc/31/67/69/155316769.db2.gz DXIDNNAKAOBYNH-WBMJQRKESA-N 0 0 332.306 3.088 10 5 EGBERN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000115228727 152000749 /nfs/dbraw/zinc/00/07/49/152000749.db2.gz GIBMWQPMVFIOQB-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000117585634 152105297 /nfs/dbraw/zinc/10/52/97/152105297.db2.gz PYDHFZXIDXTBEG-CYBMUJFWSA-N 0 0 338.363 3.440 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000117626881 152108173 /nfs/dbraw/zinc/10/81/73/152108173.db2.gz UXCDJOSCXDPMQB-OAHLLOKOSA-N 0 0 340.379 3.210 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncnc2oc(C)c(C)c21 ZINC000118200458 152128939 /nfs/dbraw/zinc/12/89/39/152128939.db2.gz HAJAAINTOUMQEI-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN O=c1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000153836811 152560403 /nfs/dbraw/zinc/56/04/03/152560403.db2.gz XVORYEZNTJBULW-UHFFFAOYSA-N 0 0 330.731 3.097 10 5 EGBERN COc1ccccc1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161607018 152776310 /nfs/dbraw/zinc/77/63/10/152776310.db2.gz MBBJLKKMMJRAGB-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000362487861 292276566 /nfs/dbraw/zinc/27/65/66/292276566.db2.gz WJDHAGYMTUBDJQ-SMDDNHRTSA-N 0 0 331.372 3.448 10 5 EGBERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000189463118 153071680 /nfs/dbraw/zinc/07/16/80/153071680.db2.gz UGXXJDOTTYLOCS-KRWDZBQOSA-N 0 0 342.395 3.233 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ncsc1Br ZINC000341598660 155377138 /nfs/dbraw/zinc/37/71/38/155377138.db2.gz UAZWMVWMWLMFLA-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000190407857 153140383 /nfs/dbraw/zinc/14/03/83/153140383.db2.gz TVHCOFMRVRLKFT-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000190618623 153151568 /nfs/dbraw/zinc/15/15/68/153151568.db2.gz WHSQSFLIQYLSJC-INIZCTEOSA-N 0 0 340.379 3.394 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)c1C ZINC000360201965 292291624 /nfs/dbraw/zinc/29/16/24/292291624.db2.gz HMEJYQXGBROAJX-ZYHUDNBSSA-N 0 0 326.418 3.021 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C(F)F ZINC000337314824 154277523 /nfs/dbraw/zinc/27/75/23/154277523.db2.gz XWMJAAUTKDPATR-LBPRGKRZSA-N 0 0 328.315 3.010 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cc1 ZINC000339185141 154740514 /nfs/dbraw/zinc/74/05/14/154740514.db2.gz URKJUDLOMMPSBF-KRWDZBQOSA-N 0 0 325.368 3.488 10 5 EGBERN O=C(NCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1F ZINC000340052281 155084673 /nfs/dbraw/zinc/08/46/73/155084673.db2.gz LMTWDBGXPPHJCO-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccnc(OC(F)F)c2)c(Cl)c1 ZINC000343158853 155671336 /nfs/dbraw/zinc/67/13/36/155671336.db2.gz JKYPVOPCOWAGIF-UHFFFAOYSA-N 0 0 330.678 3.252 10 5 EGBERN COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000346867241 156170204 /nfs/dbraw/zinc/17/02/04/156170204.db2.gz QGBIQSLQEIWFAR-GFCCVEGCSA-N 0 0 342.351 3.451 10 5 EGBERN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000346869433 156172593 /nfs/dbraw/zinc/17/25/93/156172593.db2.gz AIZKOAFITAGXHG-AWEZNQCLSA-N 0 0 348.424 3.378 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000356320362 156641760 /nfs/dbraw/zinc/64/17/60/156641760.db2.gz DPFCDKWLIFBSHK-UHFFFAOYSA-N 0 0 349.272 3.360 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(C2CCC2)cn1 ZINC000360069915 156904148 /nfs/dbraw/zinc/90/41/48/156904148.db2.gz RQETZIIMGQCCKO-UHFFFAOYSA-N 0 0 326.356 3.308 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc1 ZINC000372731566 157374161 /nfs/dbraw/zinc/37/41/61/157374161.db2.gz ILCZZKIVMDDNDP-AWEZNQCLSA-N 0 0 325.368 3.115 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065857771 161574545 /nfs/dbraw/zinc/57/45/45/161574545.db2.gz ZLDSOZVYSVQDCZ-UHFFFAOYSA-N 0 0 333.775 3.319 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(Sc2ccccc2)CC1 ZINC000109243909 162096447 /nfs/dbraw/zinc/09/64/47/162096447.db2.gz IKRREDJEQCFKSL-UHFFFAOYSA-N 0 0 343.408 3.353 10 5 EGBERN COc1ccc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110450463 162127791 /nfs/dbraw/zinc/12/77/91/162127791.db2.gz NCSHSTLYVUYKEL-LSDHHAIUSA-N 0 0 326.352 3.137 10 5 EGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111052323 162143822 /nfs/dbraw/zinc/14/38/22/162143822.db2.gz ABYSPACUZUHAHL-TZMCWYRMSA-N 0 0 336.351 3.005 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000114395465 162229917 /nfs/dbraw/zinc/22/99/17/162229917.db2.gz UMMKVOCDJQPRII-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000128898872 162340110 /nfs/dbraw/zinc/34/01/10/162340110.db2.gz RRFCAWXVPOOVIJ-GUYCJALGSA-N 0 0 340.379 3.208 10 5 EGBERN Cc1c([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967270 162385600 /nfs/dbraw/zinc/38/56/00/162385600.db2.gz FPVVQANBXOYOOL-OLZOCXBDSA-N 0 0 329.404 3.243 10 5 EGBERN Cc1c([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967677 162385750 /nfs/dbraw/zinc/38/57/50/162385750.db2.gz FPVVQANBXOYOOL-CHWSQXEVSA-N 0 0 329.404 3.243 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151651990 162596044 /nfs/dbraw/zinc/59/60/44/162596044.db2.gz XMQAAASBRKQECV-YVEFUNNKSA-N 0 0 326.352 3.059 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000337098101 163127594 /nfs/dbraw/zinc/12/75/94/163127594.db2.gz BPQIGFACYIQFJY-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1C(F)F ZINC000337277751 163191927 /nfs/dbraw/zinc/19/19/27/163191927.db2.gz HACGCMBATNXMQL-LLVKDONJSA-N 0 0 328.315 3.253 10 5 EGBERN Cc1cc(NC[C@@]2(CCO)CCOC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338678957 163316123 /nfs/dbraw/zinc/31/61/23/163316123.db2.gz DEHHCJSZOUXGQZ-CQSZACIVSA-N 0 0 348.321 3.123 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ncc[nH]3)no2)c1 ZINC000340619250 163625264 /nfs/dbraw/zinc/62/52/64/163625264.db2.gz SMZFSOUOEBLNCX-UHFFFAOYSA-N 0 0 325.206 3.054 10 5 EGBERN Cn1cc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000342006234 163760545 /nfs/dbraw/zinc/76/05/45/163760545.db2.gz UZTCPNNFDQARBY-UHFFFAOYSA-N 0 0 330.369 3.417 10 5 EGBERN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000342362405 163857969 /nfs/dbraw/zinc/85/79/69/163857969.db2.gz SWKWKYSWAYEGFG-NSHDSACASA-N 0 0 329.360 3.137 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1 ZINC000342592074 163918056 /nfs/dbraw/zinc/91/80/56/163918056.db2.gz MDIOZSWKPMDSEV-JTQLQIEISA-N 0 0 330.356 3.381 10 5 EGBERN CC(C)N(CC1CCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344057082 164093034 /nfs/dbraw/zinc/09/30/34/164093034.db2.gz HELRZOXEEJNKRP-UHFFFAOYSA-N 0 0 326.343 3.453 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000344081468 164098750 /nfs/dbraw/zinc/09/87/50/164098750.db2.gz BWYHXNMKRPEYJX-JTQLQIEISA-N 0 0 349.416 3.061 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cncc1F ZINC000344164603 164118111 /nfs/dbraw/zinc/11/81/11/164118111.db2.gz AFZCWUXOHQBTNX-QMMMGPOBSA-N 0 0 346.293 3.240 10 5 EGBERN O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344227450 164130990 /nfs/dbraw/zinc/13/09/90/164130990.db2.gz UKULBCWJJSGLAV-UHFFFAOYSA-N 0 0 343.358 3.133 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000344694580 164200652 /nfs/dbraw/zinc/20/06/52/164200652.db2.gz ITUDCOXGKDVXJL-UHFFFAOYSA-N 0 0 334.335 3.152 10 5 EGBERN O=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000345637193 164232194 /nfs/dbraw/zinc/23/21/94/164232194.db2.gz QKCRNUSEBWHDAG-UHFFFAOYSA-N 0 0 336.347 3.384 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(F)CCC1 ZINC000345708256 164248949 /nfs/dbraw/zinc/24/89/49/164248949.db2.gz HSSNDOOCJKAGPI-LLVKDONJSA-N 0 0 326.393 3.474 10 5 EGBERN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000347140821 164450765 /nfs/dbraw/zinc/45/07/65/164450765.db2.gz HFGJKZFLDKNPRP-SNVBAGLBSA-N 0 0 330.315 3.428 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000348064408 164615370 /nfs/dbraw/zinc/61/53/70/164615370.db2.gz YBQHKIALIGCRGW-CYBMUJFWSA-N 0 0 341.289 3.460 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000348629334 164786743 /nfs/dbraw/zinc/78/67/43/164786743.db2.gz BJKKELNCTMKOKO-WDEREUQCSA-N 0 0 345.321 3.102 10 5 EGBERN CC(C)(COCC(F)F)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000348663374 164794794 /nfs/dbraw/zinc/79/47/94/164794794.db2.gz SUBZMBAUHIHIQJ-UHFFFAOYSA-N 0 0 342.342 3.182 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccoc3C(F)(F)F)n2)nc1 ZINC000350415692 165045791 /nfs/dbraw/zinc/04/57/91/165045791.db2.gz NTFZJQDSCDLGEG-UHFFFAOYSA-N 0 0 340.217 3.242 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000351679015 165129654 /nfs/dbraw/zinc/12/96/54/165129654.db2.gz LEEWVBSOHWFOGE-WCQYABFASA-N 0 0 338.429 3.394 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000352217633 165289841 /nfs/dbraw/zinc/28/98/41/165289841.db2.gz QTZNZDXHHOPRGG-UFBFGSQYSA-N 0 0 341.289 3.489 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000352265516 165316932 /nfs/dbraw/zinc/31/69/32/165316932.db2.gz IPMAVWYXVLXRID-QGZVFWFLSA-N 0 0 333.388 3.328 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc(OC)c1C(C)C ZINC000353118372 165629719 /nfs/dbraw/zinc/62/97/19/165629719.db2.gz SLNCDSQVGMOPFB-UHFFFAOYSA-N 0 0 347.371 3.326 10 5 EGBERN Cc1cc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000355175950 166124307 /nfs/dbraw/zinc/12/43/07/166124307.db2.gz KETLKRKKVIOVOF-XIKOKIGWSA-N 0 0 334.416 3.210 10 5 EGBERN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196068 166129235 /nfs/dbraw/zinc/12/92/35/166129235.db2.gz HABLBWNPQXHRAD-GXSJLCMTSA-N 0 0 348.321 3.385 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000355710127 166287559 /nfs/dbraw/zinc/28/75/59/166287559.db2.gz PTXMGYIBCWVWBT-UHFFFAOYSA-N 0 0 342.248 3.124 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000355717932 166289385 /nfs/dbraw/zinc/28/93/85/166289385.db2.gz DUBPFXOZCQWBPX-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN O=C(Nc1ccccc1OCc1cscn1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355781278 166308066 /nfs/dbraw/zinc/30/80/66/166308066.db2.gz WKVYDBCYPWGAGF-UHFFFAOYSA-N 0 0 344.352 3.211 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCCc2cccnc21 ZINC000356038030 166382753 /nfs/dbraw/zinc/38/27/53/166382753.db2.gz FUJFXMKTISMCCJ-HNNXBMFYSA-N 0 0 328.372 3.248 10 5 EGBERN Cc1nn(C)c(-c2nc(-c3cc(Cl)ccc3C)no2)c1[N+](=O)[O-] ZINC000356655594 166476657 /nfs/dbraw/zinc/47/66/57/166476657.db2.gz XBWGULUKVIFMGL-UHFFFAOYSA-N 0 0 333.735 3.316 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccc(-n3cncn3)c2)no1 ZINC000357026308 166565412 /nfs/dbraw/zinc/56/54/12/166565412.db2.gz IIKNRGXNGFNJAU-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCCCn1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1 ZINC000358481008 166875603 /nfs/dbraw/zinc/87/56/03/166875603.db2.gz YBZROCXRQNCDTR-UHFFFAOYSA-N 0 0 336.417 3.200 10 5 EGBERN Cc1cc(OCc2cn(-c3ccccc3)nn2)c(F)cc1[N+](=O)[O-] ZINC000358643521 166924623 /nfs/dbraw/zinc/92/46/23/166924623.db2.gz SIGLKZWJHLKBRY-UHFFFAOYSA-N 0 0 328.303 3.202 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000358929387 167009631 /nfs/dbraw/zinc/00/96/31/167009631.db2.gz QJVBEIWTGZZQJM-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN COCCOc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])ccc1OC ZINC000359084396 167062751 /nfs/dbraw/zinc/06/27/51/167062751.db2.gz QPNXZIZCRFHZJH-UHFFFAOYSA-N 0 0 347.371 3.384 10 5 EGBERN CC[C@H](CSC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359126098 167074542 /nfs/dbraw/zinc/07/45/42/167074542.db2.gz NKHGJTPAUVLCPU-SECBINFHSA-N 0 0 334.344 3.068 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCc3c2cccc3F)cc([N+](=O)[O-])c1C ZINC000359165831 167086082 /nfs/dbraw/zinc/08/60/82/167086082.db2.gz JTDNCZVNBRNCAQ-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN CCc1cccnc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359417336 167150479 /nfs/dbraw/zinc/15/04/79/167150479.db2.gz CERZJDVYTIJYST-UHFFFAOYSA-N 0 0 337.282 3.406 10 5 EGBERN COc1cc(NCc2nccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000359501463 167173043 /nfs/dbraw/zinc/17/30/43/167173043.db2.gz YOZJDAZYAMZRLI-UHFFFAOYSA-N 0 0 348.256 3.113 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cncc(F)c1 ZINC000359555550 167192315 /nfs/dbraw/zinc/19/23/15/167192315.db2.gz RCEYFJCYWUEOEO-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1cc(F)c(F)c(F)c1 ZINC000359563880 167195024 /nfs/dbraw/zinc/19/50/24/167195024.db2.gz JGUZETPWMKQQFQ-UHFFFAOYSA-N 0 0 328.294 3.192 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(c2ccccc2)CC1 ZINC000359851382 167249842 /nfs/dbraw/zinc/24/98/42/167249842.db2.gz XFLULHNRLFJXOE-UHFFFAOYSA-N 0 0 343.431 3.448 10 5 EGBERN COc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000360394610 167319766 /nfs/dbraw/zinc/31/97/66/167319766.db2.gz LOVPKTPFHSYJCB-INIZCTEOSA-N 0 0 342.355 3.271 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360539807 167352502 /nfs/dbraw/zinc/35/25/02/167352502.db2.gz JICZZKDEGKZJLE-UHFFFAOYSA-N 0 0 343.383 3.325 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2c1 ZINC000360539024 167352521 /nfs/dbraw/zinc/35/25/21/167352521.db2.gz FGYMPJIFHVFBJC-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN COc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000360681472 167387059 /nfs/dbraw/zinc/38/70/59/167387059.db2.gz PZTFCHNMUHIJIN-KPZWWZAWSA-N 0 0 348.399 3.264 10 5 EGBERN COc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000360681473 167387111 /nfs/dbraw/zinc/38/71/11/167387111.db2.gz PZTFCHNMUHIJIN-KZULUSFZSA-N 0 0 348.399 3.264 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000365027139 168013500 /nfs/dbraw/zinc/01/35/00/168013500.db2.gz NEEPWAMCKMSCJO-INIZCTEOSA-N 0 0 346.350 3.463 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365806226 168045326 /nfs/dbraw/zinc/04/53/26/168045326.db2.gz NNHWAMHHFYSLEH-UHFFFAOYSA-N 0 0 349.387 3.142 10 5 EGBERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366128574 168086237 /nfs/dbraw/zinc/08/62/37/168086237.db2.gz SHJPYSHOIVEGJJ-ZBEGNZNMSA-N 0 0 329.331 3.352 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2noc(-c3cccc(F)c3)n2)c(Cl)c1 ZINC000366803572 168142122 /nfs/dbraw/zinc/14/21/22/168142122.db2.gz IRACPRZJEOGEFB-UHFFFAOYSA-N 0 0 349.709 3.444 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171006957 226832490 /nfs/dbraw/zinc/83/24/90/226832490.db2.gz ALUCFFQIMGMRKJ-FZMZJTMJSA-N 0 0 332.381 3.259 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)cn1 ZINC000123890660 222346927 /nfs/dbraw/zinc/34/69/27/222346927.db2.gz RVQNXXXAUGAHDZ-UHFFFAOYSA-N 0 0 348.428 3.201 10 5 EGBERN Cc1c(NC(=O)NCc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000174475997 265052520 /nfs/dbraw/zinc/05/25/20/265052520.db2.gz QHXJOSAGXFDQDD-UHFFFAOYSA-N 0 0 331.376 3.077 10 5 EGBERN CCC[C@@H](C)CS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175111817 265093834 /nfs/dbraw/zinc/09/38/34/265093834.db2.gz DLDJZIBQUOBUCZ-IUODEOHRSA-N 0 0 328.434 3.402 10 5 EGBERN COc1ccc(F)c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000176646980 265194476 /nfs/dbraw/zinc/19/44/76/265194476.db2.gz SMUZODWTMSVVJF-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN CC[C@@H](NC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000177785488 265277330 /nfs/dbraw/zinc/27/73/30/265277330.db2.gz CRDZGIXGOVWHRF-OAHLLOKOSA-N 0 0 332.331 3.380 10 5 EGBERN CC[C@@H](NC(=O)c1cc(F)cc2[nH]cnc21)c1cccc([N+](=O)[O-])c1 ZINC000177790203 265278756 /nfs/dbraw/zinc/27/87/56/265278756.db2.gz WCNJXIVXCBKGLE-CQSZACIVSA-N 0 0 342.330 3.491 10 5 EGBERN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)cc(C)c1O ZINC000188706130 265700791 /nfs/dbraw/zinc/70/07/91/265700791.db2.gz BDYBUOLOWKEJJF-UHFFFAOYSA-N 0 0 332.331 3.029 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000189308895 265751866 /nfs/dbraw/zinc/75/18/66/265751866.db2.gz KVOZRJPRYXKEKI-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN Cc1nc2cc(NC(=O)NCc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000193203051 266016674 /nfs/dbraw/zinc/01/66/74/266016674.db2.gz UAGBKIUTBZQWOH-UHFFFAOYSA-N 0 0 326.312 3.366 10 5 EGBERN CCCN(C(=O)[C@@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000194139734 266093547 /nfs/dbraw/zinc/09/35/47/266093547.db2.gz QNQZPCDCBFBTAJ-CQSZACIVSA-N 0 0 330.388 3.412 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000269534159 266312336 /nfs/dbraw/zinc/31/23/36/266312336.db2.gz SWYDHLXOUOVUKC-UHFFFAOYSA-N 0 0 349.294 3.169 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269972779 266392835 /nfs/dbraw/zinc/39/28/35/266392835.db2.gz FNXHMKGLCNWONJ-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)n1 ZINC000271372547 266649845 /nfs/dbraw/zinc/64/98/45/266649845.db2.gz IEVTUOMCPOEICG-UHFFFAOYSA-N 0 0 343.368 3.068 10 5 EGBERN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCCOC1 ZINC000272678139 266896463 /nfs/dbraw/zinc/89/64/63/266896463.db2.gz KFTPMOWBPDKULT-CYBMUJFWSA-N 0 0 343.177 3.113 10 5 EGBERN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000274340792 267220548 /nfs/dbraw/zinc/22/05/48/267220548.db2.gz PTUCWWJBUHAQDL-INIZCTEOSA-N 0 0 342.351 3.165 10 5 EGBERN CC[C@@H]1C(=O)N([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CC1 ZINC000277746613 267859045 /nfs/dbraw/zinc/85/90/45/267859045.db2.gz VAZNBBKATFRCFP-SMDDNHRTSA-N 0 0 331.372 3.169 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000341282864 274446169 /nfs/dbraw/zinc/44/61/69/274446169.db2.gz ONZVUDOFQIKYBY-CYBMUJFWSA-N 0 0 348.362 3.498 10 5 EGBERN Cc1cncn1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000376474343 274828744 /nfs/dbraw/zinc/82/87/44/274828744.db2.gz NPUWOSYLLKEWBC-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000011037367 275119654 /nfs/dbraw/zinc/11/96/54/275119654.db2.gz CFTQUHDGXVEHPK-UHFFFAOYSA-N 0 0 334.759 3.286 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000045101663 275132935 /nfs/dbraw/zinc/13/29/35/275132935.db2.gz PJMWVCFQQGIDNS-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN Cc1ccc(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377868 275161787 /nfs/dbraw/zinc/16/17/87/275161787.db2.gz WMRYMZSMERRIRI-ZDUSSCGKSA-N 0 0 326.352 3.260 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000187015315 275217042 /nfs/dbraw/zinc/21/70/42/275217042.db2.gz IYQFGHPUAWEFJG-IBGZPJMESA-N 0 0 338.363 3.175 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000278737763 275270360 /nfs/dbraw/zinc/27/03/60/275270360.db2.gz SIBGCXKCVGDTEI-CQSZACIVSA-N 0 0 342.823 3.330 10 5 EGBERN O=C(NCC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000279745030 275355576 /nfs/dbraw/zinc/35/55/76/275355576.db2.gz KOPBVXQZQYWRIQ-UHFFFAOYSA-N 0 0 339.395 3.241 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000282138181 275605433 /nfs/dbraw/zinc/60/54/33/275605433.db2.gz PTIFLOGXEIFORP-UNEWFSDZSA-N 0 0 332.400 3.059 10 5 EGBERN CC[C@@H](NCc1c(Cl)ncnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283002034 275690120 /nfs/dbraw/zinc/69/01/20/275690120.db2.gz FRMDFBBCALUOTH-CQSZACIVSA-N 0 0 349.822 3.345 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3sccc3[C@H]2C)c1[N+](=O)[O-] ZINC000286099599 275951217 /nfs/dbraw/zinc/95/12/17/275951217.db2.gz KXSMAGZDRIVBOR-SNVBAGLBSA-N 0 0 347.396 3.270 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287551796 276132096 /nfs/dbraw/zinc/13/20/96/276132096.db2.gz CCYYGGFQQDWAMD-LBPRGKRZSA-N 0 0 344.400 3.065 10 5 EGBERN CC[C@@H](NC(=O)c1cnc(COC)s1)c1cccc([N+](=O)[O-])c1 ZINC000287683094 276147002 /nfs/dbraw/zinc/14/70/02/276147002.db2.gz WIWAGGMBZJRRAF-GFCCVEGCSA-N 0 0 335.385 3.079 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1Cl ZINC000288839640 276258723 /nfs/dbraw/zinc/25/87/23/276258723.db2.gz DAWZJMMPFOQCDM-UHFFFAOYSA-N 0 0 339.200 3.076 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2ccsc2C1 ZINC000290625311 276521270 /nfs/dbraw/zinc/52/12/70/276521270.db2.gz CHHBADSLGOYTHV-UHFFFAOYSA-N 0 0 341.396 3.015 10 5 EGBERN Cc1noc(C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)n1 ZINC000291708656 276679636 /nfs/dbraw/zinc/67/96/36/276679636.db2.gz VGDJHUFQPYTGJH-UHFFFAOYSA-N 0 0 339.355 3.218 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000167716362 277205760 /nfs/dbraw/zinc/20/57/60/277205760.db2.gz ZGTTWEBZPZZBLV-SNVBAGLBSA-N 0 0 341.795 3.201 10 5 EGBERN COc1cc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000268282525 277382096 /nfs/dbraw/zinc/38/20/96/277382096.db2.gz RXKDIKYVVDJSSE-IAQYHMDHSA-N 0 0 334.351 3.027 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2cccnc2O1 ZINC000152788377 277854515 /nfs/dbraw/zinc/85/45/15/277854515.db2.gz OCTUJYSXRBKAND-SECBINFHSA-N 0 0 333.731 3.071 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000376002675 277916985 /nfs/dbraw/zinc/91/69/85/277916985.db2.gz DSOQRDBMYBEHIC-XHBSWPGZSA-N 0 0 340.807 3.411 10 5 EGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172049861 278108847 /nfs/dbraw/zinc/10/88/47/278108847.db2.gz GHXUBZCJXMQWSH-PXAZEXFGSA-N 0 0 326.352 3.118 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000152226127 288049154 /nfs/dbraw/zinc/04/91/54/288049154.db2.gz HQLHFRAEYCGROW-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000173969677 278791139 /nfs/dbraw/zinc/79/11/39/278791139.db2.gz BJIZEOFZCTZYGL-YGRLFVJLSA-N 0 0 338.410 3.038 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc2c(s1)CCOC2 ZINC000103374941 279012878 /nfs/dbraw/zinc/01/28/78/279012878.db2.gz PLHDEOMSVISPET-SNVBAGLBSA-N 0 0 344.392 3.320 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000374187945 279283468 /nfs/dbraw/zinc/28/34/68/279283468.db2.gz RTJOVALWQVPCRG-LBPRGKRZSA-N 0 0 348.428 3.029 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCCOC3)c(Br)c1 ZINC000376482055 280367677 /nfs/dbraw/zinc/36/76/77/280367677.db2.gz ZVKODGGQUPPUFK-CQSZACIVSA-N 0 0 341.205 3.364 10 5 EGBERN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000363872509 280964850 /nfs/dbraw/zinc/96/48/50/280964850.db2.gz NFBWDNRGPJCZRT-INIZCTEOSA-N 0 0 343.408 3.229 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000190119926 281289508 /nfs/dbraw/zinc/28/95/08/281289508.db2.gz WROVMVLOQKMDIF-OAHLLOKOSA-N 0 0 326.352 3.465 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341333242 289079247 /nfs/dbraw/zinc/07/92/47/289079247.db2.gz ZDHKDMVIMQBMOF-LLVKDONJSA-N 0 0 340.335 3.083 10 5 EGBERN Cc1ccnc(N2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000376235630 292769927 /nfs/dbraw/zinc/76/99/27/292769927.db2.gz UTILEYIUYIDABT-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN Cc1sc(C(=O)N(C)CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000161859027 294069444 /nfs/dbraw/zinc/06/94/44/294069444.db2.gz CDNXSOLHCGVZJL-UHFFFAOYSA-N 0 0 334.397 3.254 10 5 EGBERN Cc1cc2c(s1)N(O)c1ccccc1N=C2N1CC[N+](C)([O-])CC1 ZINC000077311946 301457288 /nfs/dbraw/zinc/45/72/88/301457288.db2.gz RBCUAXVNEGEAGB-UHFFFAOYSA-N 0 0 344.440 3.236 10 5 in-vitro EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000194836800 302037887 /nfs/dbraw/zinc/03/78/87/302037887.db2.gz JIYCNDRHACGFCZ-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000116353838 302043189 /nfs/dbraw/zinc/04/31/89/302043189.db2.gz IUXPVGZMMGFCDT-GFCCVEGCSA-N 0 0 336.369 3.022 10 5 EGBERN CC(C)(C)OC(=O)CC[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000413601106 309039137 /nfs/dbraw/zinc/03/91/37/309039137.db2.gz ZTQLVDUSEKQMFB-CYBMUJFWSA-N 0 0 335.404 3.328 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000052755939 307333788 /nfs/dbraw/zinc/33/37/88/307333788.db2.gz XNTJASKIHBWDRS-AWEZNQCLSA-N 0 0 347.371 3.404 10 5 EGBERN CN(C(=O)c1coc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000074408332 307393199 /nfs/dbraw/zinc/39/31/99/307393199.db2.gz NJZMVQPMULZMFN-UHFFFAOYSA-N 0 0 325.118 3.227 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075291596 307398641 /nfs/dbraw/zinc/39/86/41/307398641.db2.gz DHJHCHXVUOKUOC-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1OC(C)C ZINC000079386988 307425366 /nfs/dbraw/zinc/42/53/66/307425366.db2.gz VOXZMEKVZIQCOU-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN CCc1ccc(C(=O)Nc2ccccc2CC(=O)OC)cc1[N+](=O)[O-] ZINC000080059324 307431207 /nfs/dbraw/zinc/43/12/07/307431207.db2.gz IUENKUMGMHARAI-UHFFFAOYSA-N 0 0 342.351 3.125 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n(C)n1 ZINC000081843720 307443350 /nfs/dbraw/zinc/44/33/50/307443350.db2.gz OGNJSFUHXFTNNB-NSHDSACASA-N 0 0 328.372 3.043 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000413983446 309055268 /nfs/dbraw/zinc/05/52/68/309055268.db2.gz KPYGIDHFBWBDOH-VIFPVBQESA-N 0 0 334.294 3.312 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000413983999 309055361 /nfs/dbraw/zinc/05/53/61/309055361.db2.gz HZDFLEPUJWQJGE-UHFFFAOYSA-N 0 0 326.343 3.453 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1[N+](=O)[O-] ZINC000127659875 307588128 /nfs/dbraw/zinc/58/81/28/307588128.db2.gz WNAHVPDLHZLOKT-LBPRGKRZSA-N 0 0 344.415 3.326 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134476694 307687927 /nfs/dbraw/zinc/68/79/27/307687927.db2.gz WOGVGXQZXQMVLV-NHYWBVRUSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@H](NC(=O)COc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000135351872 307701471 /nfs/dbraw/zinc/70/14/71/307701471.db2.gz RHBOMXRJEMQDOG-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000151245628 307730424 /nfs/dbraw/zinc/73/04/24/307730424.db2.gz CMCZBLZZVDSPRB-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153474276 307773895 /nfs/dbraw/zinc/77/38/95/307773895.db2.gz ZZSYIAJOVORCCU-CYBMUJFWSA-N 0 0 337.759 3.375 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000166493565 307930907 /nfs/dbraw/zinc/93/09/07/307930907.db2.gz WLHWJSQUJVEHJJ-VIFPVBQESA-N 0 0 344.314 3.197 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292947705 308082939 /nfs/dbraw/zinc/08/29/39/308082939.db2.gz BJLNVNSCDLUIJW-PWSUYJOCSA-N 0 0 344.314 3.340 10 5 EGBERN C[C@@]12CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(F)F ZINC000294231207 308202264 /nfs/dbraw/zinc/20/22/64/308202264.db2.gz ZIDJEAASURUSHF-DZGCQCFKSA-N 0 0 335.310 3.193 10 5 EGBERN COc1cc(CCNC(=O)CCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000294454337 308222300 /nfs/dbraw/zinc/22/23/00/308222300.db2.gz PDBVAMQHDYIDBH-UHFFFAOYSA-N 0 0 338.404 3.097 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294825084 308261419 /nfs/dbraw/zinc/26/14/19/308261419.db2.gz DCTILNCHHIZEEP-JSGCOSHPSA-N 0 0 326.780 3.070 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC3(CCC(O)CC3)CC2)s1 ZINC000294908230 308270384 /nfs/dbraw/zinc/27/03/84/308270384.db2.gz IXLLGBLUSURCAZ-UHFFFAOYSA-N 0 0 348.428 3.121 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295037150 308284164 /nfs/dbraw/zinc/28/41/64/308284164.db2.gz WSZVCVPBZIAMMG-ZDUSSCGKSA-N 0 0 326.400 3.064 10 5 EGBERN Cc1c(NCc2ccc([N+](=O)[O-])cc2C)cnn1C1CCOCC1 ZINC000295152199 308297219 /nfs/dbraw/zinc/29/72/19/308297219.db2.gz RHJWXLFHSFOSST-UHFFFAOYSA-N 0 0 330.388 3.372 10 5 EGBERN Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(C2CCCCC2)n1 ZINC000295698298 308351676 /nfs/dbraw/zinc/35/16/76/308351676.db2.gz IFSYETMYADQMQN-UHFFFAOYSA-N 0 0 343.387 3.211 10 5 EGBERN Cc1cccnc1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000296412073 308424462 /nfs/dbraw/zinc/42/44/62/308424462.db2.gz KMLAEFYKJMLHNI-UHFFFAOYSA-N 0 0 345.374 3.074 10 5 EGBERN COC(=O)Cc1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000296554204 308440244 /nfs/dbraw/zinc/44/02/44/308440244.db2.gz OZKNLXRMHSZTCU-LLVKDONJSA-N 0 0 346.305 3.089 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297577418 308547404 /nfs/dbraw/zinc/54/74/04/308547404.db2.gz LSJUHGYBVZPBLP-VBNZEHGJSA-N 0 0 349.431 3.094 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301132372 308689377 /nfs/dbraw/zinc/68/93/77/308689377.db2.gz TWHOYBHBWVOHKC-LBPRGKRZSA-N 0 0 337.395 3.111 10 5 EGBERN Cc1cc(N[C@H](c2nnc3ccccn32)C(C)C)ncc1[N+](=O)[O-] ZINC000301692794 308711163 /nfs/dbraw/zinc/71/11/63/308711163.db2.gz ZGWWNPWBOBIWIZ-HNNXBMFYSA-N 0 0 326.360 3.150 10 5 EGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000301823492 308716935 /nfs/dbraw/zinc/71/69/35/308716935.db2.gz HVFGALYFYLZXQC-ONGXEEELSA-N 0 0 330.369 3.281 10 5 EGBERN CN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301885954 308720078 /nfs/dbraw/zinc/72/00/78/308720078.db2.gz OWRPZJCNISTAES-UHFFFAOYSA-N 0 0 349.431 3.077 10 5 EGBERN COc1cc(NCCC[C@@H]2CCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000301946318 308722675 /nfs/dbraw/zinc/72/26/75/308722675.db2.gz ZZMHWSPTZYDTSI-XHDPSFHLSA-N 0 0 326.368 3.486 10 5 EGBERN CCOc1cccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301959311 308723122 /nfs/dbraw/zinc/72/31/22/308723122.db2.gz GWFJUNYVXJKARY-NSHDSACASA-N 0 0 327.344 3.209 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000302198574 308733050 /nfs/dbraw/zinc/73/30/50/308733050.db2.gz YHOMAOJDPGIZSW-GFCCVEGCSA-N 0 0 335.360 3.096 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000302208666 308733436 /nfs/dbraw/zinc/73/34/36/308733436.db2.gz XVCLCPCBLMTVMO-CABCVRRESA-N 0 0 334.372 3.141 10 5 EGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC000302531208 308739115 /nfs/dbraw/zinc/73/91/15/308739115.db2.gz FINLYPIWYOTSKQ-NOZJJQNGSA-N 0 0 329.194 3.219 10 5 EGBERN Cc1cc(C)n(-c2cncc(NCc3cccc([N+](=O)[O-])c3C)n2)n1 ZINC000302702229 308742423 /nfs/dbraw/zinc/74/24/23/308742423.db2.gz IHCALJRTJIMCTP-UHFFFAOYSA-N 0 0 338.371 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(NCCNc2ncnc3c(F)cccc23)cc1 ZINC000302804233 308746392 /nfs/dbraw/zinc/74/63/92/308746392.db2.gz VWKRHOVNZRAJHG-UHFFFAOYSA-N 0 0 327.319 3.201 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000347837700 308883402 /nfs/dbraw/zinc/88/34/02/308883402.db2.gz BTKMCSPDIYVONU-ZJUUUORDSA-N 0 0 348.346 3.486 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000410741799 308920709 /nfs/dbraw/zinc/92/07/09/308920709.db2.gz RMQIZRNCGXVQKI-UTLUCORTSA-N 0 0 346.305 3.252 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000412405567 308985147 /nfs/dbraw/zinc/98/51/47/308985147.db2.gz VYOJDWFHDZUWFB-GOSISDBHSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412778236 309002252 /nfs/dbraw/zinc/00/22/52/309002252.db2.gz IMIGIBUNUFAYQF-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000412785503 309002591 /nfs/dbraw/zinc/00/25/91/309002591.db2.gz SXLNRQWYGPIROR-VIFPVBQESA-N 0 0 328.315 3.457 10 5 EGBERN CN(C)c1ncccc1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413055071 309013591 /nfs/dbraw/zinc/01/35/91/309013591.db2.gz PTGCRANUSMTIBG-UHFFFAOYSA-N 0 0 341.293 3.082 10 5 EGBERN CC(C)Cn1ccnc1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413166166 309019220 /nfs/dbraw/zinc/01/92/20/309019220.db2.gz SZIFXZSHSVOVCA-UHFFFAOYSA-N 0 0 343.309 3.473 10 5 EGBERN CC(C)N(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000415218962 309126932 /nfs/dbraw/zinc/12/69/32/309126932.db2.gz XNMGXFBEAOTUKB-DLBZAZTESA-N 0 0 332.400 3.114 10 5 EGBERN CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1C ZINC000415620178 309138915 /nfs/dbraw/zinc/13/89/15/309138915.db2.gz UJLGPTNFRHOIMK-JKSUJKDBSA-N 0 0 325.368 3.455 10 5 EGBERN C[C@@H]1C[C@@H]1N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000415889755 309146323 /nfs/dbraw/zinc/14/63/23/309146323.db2.gz JEIIRVLROMRWBD-RISCZKNCSA-N 0 0 340.335 3.379 10 5 EGBERN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000416020303 309154949 /nfs/dbraw/zinc/15/49/49/309154949.db2.gz XICWJIYFCDUWFG-UHFFFAOYSA-N 0 0 336.388 3.263 10 5 EGBERN Cn1c(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000416040798 309155889 /nfs/dbraw/zinc/15/58/89/309155889.db2.gz CIUJIHKQMZJPFY-CYBMUJFWSA-N 0 0 349.337 3.059 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@H]1C1CCC1 ZINC000416324966 309168644 /nfs/dbraw/zinc/16/86/44/309168644.db2.gz RSPMXQPDGQLNSX-INIZCTEOSA-N 0 0 345.424 3.434 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)C2(C)CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416477654 309172111 /nfs/dbraw/zinc/17/21/11/309172111.db2.gz VCGQFCWUQHMEOK-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN CCC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000416564343 309173689 /nfs/dbraw/zinc/17/36/89/309173689.db2.gz BQLLCLJFHXELCJ-MRXNPFEDSA-N 0 0 340.445 3.373 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420616267 309290276 /nfs/dbraw/zinc/29/02/76/309290276.db2.gz GRFKTHXDIPACME-NXEZZACHSA-N 0 0 330.182 3.122 10 5 EGBERN CC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)CCO1 ZINC000420618049 309290392 /nfs/dbraw/zinc/29/03/92/309290392.db2.gz LMCBBUPSKLPDFN-ZJUUUORDSA-N 0 0 344.209 3.430 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](O)CC23CCC3)cc1OC(F)F ZINC000420645002 309291394 /nfs/dbraw/zinc/29/13/94/309291394.db2.gz ZITUZQFVIUOMNA-NSHDSACASA-N 0 0 328.315 3.080 10 5 EGBERN O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421497262 309327240 /nfs/dbraw/zinc/32/72/40/309327240.db2.gz HBMVMSMEVFREET-RBSFLKMASA-N 0 0 344.411 3.401 10 5 EGBERN Cc1c(CC(=O)NC[C@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421586964 309330939 /nfs/dbraw/zinc/33/09/39/309330939.db2.gz GXDJMOBLWLMVIL-CQSZACIVSA-N 0 0 334.441 3.095 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421673147 309334030 /nfs/dbraw/zinc/33/40/30/309334030.db2.gz WXQBBISYLNKUGF-DGCLKSJQSA-N 0 0 338.379 3.085 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421673146 309334067 /nfs/dbraw/zinc/33/40/67/309334067.db2.gz WXQBBISYLNKUGF-AAEUAGOBSA-N 0 0 338.379 3.085 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000426139409 309500110 /nfs/dbraw/zinc/50/01/10/309500110.db2.gz LNOSZTKZLZPCSK-INIZCTEOSA-N 0 0 340.807 3.181 10 5 EGBERN COc1cc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000428938050 309565106 /nfs/dbraw/zinc/56/51/06/309565106.db2.gz HSYKEEGZVIUSMQ-CYBMUJFWSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000430116898 309598041 /nfs/dbraw/zinc/59/80/41/309598041.db2.gz AOODVPOSUIFCLS-DOPJRALCSA-N 0 0 339.395 3.173 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC23CCCC3)cc1OC ZINC000430218337 309601859 /nfs/dbraw/zinc/60/18/59/309601859.db2.gz MZWPMJZDJJRWGN-OAHLLOKOSA-N 0 0 334.372 3.065 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000455083861 310343847 /nfs/dbraw/zinc/34/38/47/310343847.db2.gz MFZNSGXEVXONNS-UAGQMJEPSA-N 0 0 347.415 3.451 10 5 EGBERN O=C1C[C@@H](c2cccc(Nc3ccc([N+](=O)[O-])c4cnccc34)c2)CN1 ZINC000434952519 309722663 /nfs/dbraw/zinc/72/26/63/309722663.db2.gz YFIYEXFBUOCFKZ-CYBMUJFWSA-N 0 0 348.362 3.490 10 5 EGBERN COc1cccc(C(=O)N2CCc3ccc(F)c(F)c3C2)c1[N+](=O)[O-] ZINC000435919259 309743320 /nfs/dbraw/zinc/74/33/20/309743320.db2.gz ZWZHTTSIPJIBAT-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCc3ccc(F)c(F)c3C1)CCN2 ZINC000436386915 309754314 /nfs/dbraw/zinc/75/43/14/309754314.db2.gz KLPQHQXXMYWRTK-UHFFFAOYSA-N 0 0 331.322 3.404 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000438953217 309823104 /nfs/dbraw/zinc/82/31/04/309823104.db2.gz ZDHHTSZGSUUVJM-RYUDHWBXSA-N 0 0 338.791 3.055 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000439089892 309826021 /nfs/dbraw/zinc/82/60/21/309826021.db2.gz VNSOELFPPUPYKA-UONOGXRCSA-N 0 0 348.399 3.024 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC(F)F ZINC000439096195 309826145 /nfs/dbraw/zinc/82/61/45/309826145.db2.gz VWULYIPSZXQTNI-NWDGAFQWSA-N 0 0 342.342 3.449 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)c1cccnc1N(C)C ZINC000439155355 309827527 /nfs/dbraw/zinc/82/75/27/309827527.db2.gz PFEKAGVWYOSELP-UHFFFAOYSA-N 0 0 348.790 3.294 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000441408209 309870929 /nfs/dbraw/zinc/87/09/29/309870929.db2.gz WOAIASHZCFIHGQ-UHFFFAOYSA-N 0 0 340.742 3.270 10 5 EGBERN Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443712428 309907126 /nfs/dbraw/zinc/90/71/26/309907126.db2.gz UUROGQAIIPWNTL-QGZVFWFLSA-N 0 0 346.408 3.010 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445662319 309945098 /nfs/dbraw/zinc/94/50/98/309945098.db2.gz AAELHGODEKSDFK-MJBXVCDLSA-N 0 0 342.399 3.362 10 5 EGBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000445978174 309952624 /nfs/dbraw/zinc/95/26/24/309952624.db2.gz SEPMDMOBIKKAJT-KFWWJZLASA-N 0 0 349.431 3.125 10 5 EGBERN CC[C@@H](C[C@@H](C)CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446174078 309957689 /nfs/dbraw/zinc/95/76/89/309957689.db2.gz APSADVHYVZAZFK-SKDRFNHKSA-N 0 0 328.796 3.084 10 5 EGBERN C[C@@H]1CN(c2cccc3cnccc32)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000447678318 309985580 /nfs/dbraw/zinc/98/55/80/309985580.db2.gz KDXUSTUYMZSEJV-CQSZACIVSA-N 0 0 349.394 3.253 10 5 EGBERN O=C(NCCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448651586 310010761 /nfs/dbraw/zinc/01/07/61/310010761.db2.gz QMGZVSQGFYIRBW-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN CC(C)c1noc(CCCNc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC000450277014 310112696 /nfs/dbraw/zinc/11/26/96/310112696.db2.gz KRWKBDLNMJSBFZ-UHFFFAOYSA-N 0 0 341.371 3.116 10 5 EGBERN C[C@@H](O)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450331762 310116047 /nfs/dbraw/zinc/11/60/47/310116047.db2.gz CLCMQRHLVPSOLX-LLVKDONJSA-N 0 0 333.413 3.316 10 5 EGBERN COCCCN(CCc1ccc(OC)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000450376062 310118818 /nfs/dbraw/zinc/11/88/18/310118818.db2.gz ZGUZKSMKINJPCJ-UHFFFAOYSA-N 0 0 345.399 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(N(Cc2ccccc2)CC2(O)CCCC2)cn1 ZINC000450389745 310119807 /nfs/dbraw/zinc/11/98/07/310119807.db2.gz NLZBLBQBCAWVAH-UHFFFAOYSA-N 0 0 327.384 3.302 10 5 EGBERN O=[N+]([O-])c1ccc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 ZINC000450404595 310120452 /nfs/dbraw/zinc/12/04/52/310120452.db2.gz NSTHBVAIQNDJEI-MRXNPFEDSA-N 0 0 331.347 3.315 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1O ZINC000450420398 310121375 /nfs/dbraw/zinc/12/13/75/310121375.db2.gz CEOCVPFKHNZUEZ-GOEBONIOSA-N 0 0 329.400 3.376 10 5 EGBERN C[C@H](CCO)N(Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450426679 310121958 /nfs/dbraw/zinc/12/19/58/310121958.db2.gz XBGXWTQYQVUQBX-CYBMUJFWSA-N 0 0 340.383 3.249 10 5 EGBERN Cc1cc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)nn1[C@H](C)C1CC1 ZINC000450432453 310122352 /nfs/dbraw/zinc/12/23/52/310122352.db2.gz ANWSKGBPMIHJCG-SNVBAGLBSA-N 0 0 326.360 3.113 10 5 EGBERN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1ccc([N+](=O)[O-])nc1 ZINC000450494970 310126317 /nfs/dbraw/zinc/12/63/17/310126317.db2.gz QMGHONJOOSQZPY-AWEZNQCLSA-N 0 0 332.381 3.175 10 5 EGBERN COC[C@](C)(O)CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450592053 310131862 /nfs/dbraw/zinc/13/18/62/310131862.db2.gz KPAUMJPDAGZYAW-CYBMUJFWSA-N 0 0 336.310 3.121 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)c2ccccn2)c1 ZINC000450617562 310133278 /nfs/dbraw/zinc/13/32/78/310133278.db2.gz RLFDIDAQPMGYHZ-UHFFFAOYSA-N 0 0 329.356 3.166 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450659257 310135650 /nfs/dbraw/zinc/13/56/50/310135650.db2.gz QBLRYJYROOLEPY-RHSMWYFYSA-N 0 0 334.322 3.038 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000450734641 310140012 /nfs/dbraw/zinc/14/00/12/310140012.db2.gz CXBNBELUTJOSGF-JQWIXIFHSA-N 0 0 336.417 3.463 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000450740190 310140234 /nfs/dbraw/zinc/14/02/34/310140234.db2.gz SUARUVIIVLIGPU-GUYCJALGSA-N 0 0 329.400 3.428 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC12CCCC2 ZINC000451197625 310165512 /nfs/dbraw/zinc/16/55/12/310165512.db2.gz SBVWVRQYWMMWRR-MRXNPFEDSA-N 0 0 330.384 3.397 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn(CC3CC3)nn2)cc1[N+](=O)[O-] ZINC000451760559 310196225 /nfs/dbraw/zinc/19/62/25/310196225.db2.gz NOAZVVTUKKFFHA-UHFFFAOYSA-N 0 0 343.387 3.146 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451969797 310205935 /nfs/dbraw/zinc/20/59/35/310205935.db2.gz AZODYTUBMNBDHW-OAHLLOKOSA-N 0 0 348.380 3.104 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000452091923 310211658 /nfs/dbraw/zinc/21/16/58/310211658.db2.gz CIHMONGVVMVGCG-UHFFFAOYSA-N 0 0 340.445 3.324 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452095526 310211751 /nfs/dbraw/zinc/21/17/51/310211751.db2.gz LPEOIEDUQFIZLB-UHFFFAOYSA-N 0 0 340.445 3.324 10 5 EGBERN CC(C)(C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000452100444 310211971 /nfs/dbraw/zinc/21/19/71/310211971.db2.gz HZQVHWMKNSUSKT-AWEZNQCLSA-N 0 0 340.445 3.183 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCC1CCOCC1 ZINC000452210799 310218795 /nfs/dbraw/zinc/21/87/95/310218795.db2.gz YCNHHEYZORKMJC-UHFFFAOYSA-N 0 0 338.429 3.010 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452313271 310222747 /nfs/dbraw/zinc/22/27/47/310222747.db2.gz NGKWPLHKZPNTCI-UHFFFAOYSA-N 0 0 349.749 3.289 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC1CCOCC1 ZINC000452604720 310234328 /nfs/dbraw/zinc/23/43/28/310234328.db2.gz VKYARFOHJYTZQL-UHFFFAOYSA-N 0 0 334.416 3.457 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452866425 310246465 /nfs/dbraw/zinc/24/64/65/310246465.db2.gz ORMUIEUONYGRFE-IACUBPJLSA-N 0 0 342.317 3.499 10 5 EGBERN CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000453004442 310252590 /nfs/dbraw/zinc/25/25/90/310252590.db2.gz SZMOXXBAGWOORY-GHMZBOCLSA-N 0 0 326.343 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCSC3)n2)c2c1NCCC2 ZINC000453229571 310265457 /nfs/dbraw/zinc/26/54/57/310265457.db2.gz CJBRFOLKJUATDS-VIFPVBQESA-N 0 0 332.385 3.223 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](NCc2nnc(C3CC3)[nH]2)c2ccccc2)c1 ZINC000453272238 310268377 /nfs/dbraw/zinc/26/83/77/310268377.db2.gz HWFJHUXZCSEPJM-SFHVURJKSA-N 0 0 349.394 3.470 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000454155658 310295010 /nfs/dbraw/zinc/29/50/10/310295010.db2.gz WMZUESXIHXJCDQ-CJNGLKHVSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCOC[C@H]1CC1CCC1 ZINC000454260726 310299986 /nfs/dbraw/zinc/29/99/86/310299986.db2.gz LIOCRUANNXKQOE-CYBMUJFWSA-N 0 0 337.351 3.157 10 5 EGBERN C[C@@H](NC(=O)N1CCOC[C@@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000454373469 310306125 /nfs/dbraw/zinc/30/61/25/310306125.db2.gz USNAYGGPKFUULP-DYVFJYSZSA-N 0 0 347.415 3.256 10 5 EGBERN COC[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000455145229 310347023 /nfs/dbraw/zinc/34/70/23/310347023.db2.gz RJCNNAZVHKGTKN-AWEZNQCLSA-N 0 0 335.404 3.492 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000455180487 310349044 /nfs/dbraw/zinc/34/90/44/310349044.db2.gz INZQFRIKVUZSIZ-BBRMVZONSA-N 0 0 335.404 3.476 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000455215250 310350605 /nfs/dbraw/zinc/35/06/05/310350605.db2.gz GHVUBXKUPKQMRA-KCXAZCMYSA-N 0 0 337.420 3.406 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]1C1CC1 ZINC000455397808 310358952 /nfs/dbraw/zinc/35/89/52/310358952.db2.gz GXEHMXBMBNGETD-GFCCVEGCSA-N 0 0 340.177 3.374 10 5 EGBERN CC[C@@](C)(CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000456125199 310389531 /nfs/dbraw/zinc/38/95/31/310389531.db2.gz USRNEZFFOMYROM-ZDUSSCGKSA-N 0 0 334.294 3.159 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000456133872 310390020 /nfs/dbraw/zinc/39/00/20/310390020.db2.gz GENKDYQIZCQSLP-BXKDBHETSA-N 0 0 346.305 3.111 10 5 EGBERN CO[C@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000456580377 310413341 /nfs/dbraw/zinc/41/33/41/310413341.db2.gz SONHOYCJNFOBMA-ISVAXAHUSA-N 0 0 346.305 3.157 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456683451 310417708 /nfs/dbraw/zinc/41/77/08/310417708.db2.gz BFZLRQCFOWPQEW-MRXNPFEDSA-N 0 0 338.791 3.199 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456867748 310426650 /nfs/dbraw/zinc/42/66/50/310426650.db2.gz BKXLVADHHGPAFB-CDMKHQONSA-N 0 0 338.791 3.178 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(C2CCC2)CCC1 ZINC000457161630 310441055 /nfs/dbraw/zinc/44/10/55/310441055.db2.gz PATPLTVYPGMGIH-UHFFFAOYSA-N 0 0 332.400 3.450 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1C[C@@H](OC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458484340 310506035 /nfs/dbraw/zinc/50/60/35/310506035.db2.gz BMAPZOMZWOETQP-VNQPRFMTSA-N 0 0 335.404 3.301 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)N1c3ccc([N+](=O)[O-])cc3C[C@@H]1C)C2 ZINC000459993969 310578696 /nfs/dbraw/zinc/57/86/96/310578696.db2.gz YTHUGXMCVZMBTO-SJCJKPOMSA-N 0 0 338.363 3.185 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC1CC1)CC1CC1 ZINC000460230022 310581242 /nfs/dbraw/zinc/58/12/42/310581242.db2.gz ISOMIXLBBCGLCW-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN C[C@@H](CO)CSc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462485811 310600368 /nfs/dbraw/zinc/60/03/68/310600368.db2.gz ZRPHDWRAHOFUAR-LBPRGKRZSA-N 0 0 334.397 3.289 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cn(-c3ccccc3)nn2)c2cccnc21 ZINC000471876567 310751557 /nfs/dbraw/zinc/75/15/57/310751557.db2.gz YGRDEJPJRDVAJE-UHFFFAOYSA-N 0 0 347.334 3.303 10 5 EGBERN COc1cc(C(=O)Nc2cccc3c2OCCC3)cc([N+](=O)[O-])c1C ZINC000477700600 310848019 /nfs/dbraw/zinc/84/80/19/310848019.db2.gz ZETOKNXXMHCRKU-UHFFFAOYSA-N 0 0 342.351 3.489 10 5 EGBERN Cc1c(CNC(=O)N(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480053192 310888632 /nfs/dbraw/zinc/88/86/32/310888632.db2.gz IQOIOZILMKUBSU-UHFFFAOYSA-N 0 0 331.347 3.384 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000485770200 310981841 /nfs/dbraw/zinc/98/18/41/310981841.db2.gz FGHZZLSYPHYMTJ-UHFFFAOYSA-N 0 0 332.787 3.458 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)N(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000486484571 310993617 /nfs/dbraw/zinc/99/36/17/310993617.db2.gz SYIABCQQNQCQET-HIFRSBDPSA-N 0 0 337.383 3.328 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCCCC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486863445 311000834 /nfs/dbraw/zinc/00/08/34/311000834.db2.gz GJHUIIIKLFAZHO-LLVKDONJSA-N 0 0 349.387 3.486 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000487854748 311040164 /nfs/dbraw/zinc/04/01/64/311040164.db2.gz GAXVIGFDGWYQIA-QGZVFWFLSA-N 0 0 341.367 3.434 10 5 EGBERN C[S@](=O)Cc1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488072377 311050248 /nfs/dbraw/zinc/05/02/48/311050248.db2.gz FKZRMIAQZKUYHC-DEOSSOPVSA-N 0 0 341.392 3.187 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488796418 311080642 /nfs/dbraw/zinc/08/06/42/311080642.db2.gz KTVKMLUNYTXAFZ-LBPRGKRZSA-N 0 0 344.408 3.323 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000490891947 311156229 /nfs/dbraw/zinc/15/62/29/311156229.db2.gz DTCDPBLCJFBZEW-LLVKDONJSA-N 0 0 327.331 3.334 10 5 EGBERN O=c1[nH]ccc2c1CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000493556844 311394900 /nfs/dbraw/zinc/39/49/00/311394900.db2.gz ZHYDBKGPJAWKQS-UHFFFAOYSA-N 0 0 339.273 3.277 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000494701052 311505431 /nfs/dbraw/zinc/50/54/31/311505431.db2.gz DWXNWJIGANJUDJ-CHWSQXEVSA-N 0 0 343.383 3.085 10 5 EGBERN CC(C)(C)C1CC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000504854624 312011331 /nfs/dbraw/zinc/01/13/31/312011331.db2.gz WFLAMPUNPISCEB-UHFFFAOYSA-N 0 0 326.343 3.356 10 5 EGBERN C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC000506169123 312043764 /nfs/dbraw/zinc/04/37/64/312043764.db2.gz UOJZFZYUKGJAGD-CQSZACIVSA-N 0 0 346.431 3.005 10 5 EGBERN CN(Cc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000507881625 312084569 /nfs/dbraw/zinc/08/45/69/312084569.db2.gz TZAPLYWPYYFEDU-UHFFFAOYSA-N 0 0 341.346 3.166 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000509503272 312118961 /nfs/dbraw/zinc/11/89/61/312118961.db2.gz ZSLNGNDNBCZEIZ-IBGZPJMESA-N 0 0 326.396 3.434 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@H]2C)cc1C ZINC000512143454 312176807 /nfs/dbraw/zinc/17/68/07/312176807.db2.gz RJRTZXIJYMUSGA-CYBMUJFWSA-N 0 0 326.418 3.165 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000514183720 312226774 /nfs/dbraw/zinc/22/67/74/312226774.db2.gz XHQAMLQJPRROHH-HLUHBDAQSA-N 0 0 343.305 3.035 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000516126956 312309847 /nfs/dbraw/zinc/30/98/47/312309847.db2.gz VZXFOTUECFIICK-SNVBAGLBSA-N 0 0 326.312 3.069 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000516172703 312312439 /nfs/dbraw/zinc/31/24/39/312312439.db2.gz VKWUNZXNNUOKED-UKRRQHHQSA-N 0 0 347.415 3.053 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1(COC)CC1 ZINC000517237160 312370881 /nfs/dbraw/zinc/37/08/81/312370881.db2.gz CNMXFWXATZHMGU-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000521579080 312551286 /nfs/dbraw/zinc/55/12/86/312551286.db2.gz MCTJNYPZXHPKMJ-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000521941067 312566402 /nfs/dbraw/zinc/56/64/02/312566402.db2.gz WJJOCKPYHRSQTB-UHFFFAOYSA-N 0 0 343.383 3.439 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139066 313760113 /nfs/dbraw/zinc/76/01/13/313760113.db2.gz JMOUKSOYSUNESR-OAHLLOKOSA-N 0 0 327.384 3.392 10 5 EGBERN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000532388284 313792700 /nfs/dbraw/zinc/79/27/00/313792700.db2.gz FMHZLVXVOIZQLX-GFCCVEGCSA-N 0 0 333.344 3.096 10 5 EGBERN Cc1nc(C)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000533856154 313939294 /nfs/dbraw/zinc/93/92/94/313939294.db2.gz DUTTWYWKFJRYJN-UHFFFAOYSA-N 0 0 332.385 3.258 10 5 EGBERN C[C@H](C(=O)NCC1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249307 314034705 /nfs/dbraw/zinc/03/47/05/314034705.db2.gz WLZWSBPNYFFDAF-CQSZACIVSA-N 0 0 345.443 3.038 10 5 EGBERN CCOC(=O)c1cnc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc1C ZINC000538670632 314262574 /nfs/dbraw/zinc/26/25/74/314262574.db2.gz FBKJNQIHAWABGX-SNVBAGLBSA-N 0 0 330.344 3.043 10 5 EGBERN C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000540435479 314380659 /nfs/dbraw/zinc/38/06/59/314380659.db2.gz RPSHLYWRBPKUQT-MGPLVRAMSA-N 0 0 346.770 3.429 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000542158634 314520844 /nfs/dbraw/zinc/52/08/44/314520844.db2.gz IZDCEIMIYGLJRX-NSHDSACASA-N 0 0 340.335 3.083 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000544996951 314728804 /nfs/dbraw/zinc/72/88/04/314728804.db2.gz BKGIZSMTDMWKBF-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN O=C(CC1CCCC1)NC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553058960 315243322 /nfs/dbraw/zinc/24/33/22/315243322.db2.gz WKWNXICQPJUCAK-UHFFFAOYSA-N 0 0 349.406 3.399 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2nc(C)c(C)s2)c1[N+](=O)[O-] ZINC000553067809 315243351 /nfs/dbraw/zinc/24/33/51/315243351.db2.gz JHSBTIPDIJDKGO-UHFFFAOYSA-N 0 0 339.398 3.309 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc3ccccc3o2)c1 ZINC000554649870 315341248 /nfs/dbraw/zinc/34/12/48/315341248.db2.gz PDYSAEJOVJCAMJ-UHFFFAOYSA-N 0 0 341.323 3.177 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000556872637 315478282 /nfs/dbraw/zinc/47/82/82/315478282.db2.gz PSFWYLXSDJCMJH-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2nnc(C3CC3)o2)c1 ZINC000559947210 315651799 /nfs/dbraw/zinc/65/17/99/315651799.db2.gz XKQVVCHEOATRCT-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN Cn1ncc2ccc(CNc3c4ccccc4ncc3[N+](=O)[O-])cc21 ZINC000562330780 315819502 /nfs/dbraw/zinc/81/95/02/315819502.db2.gz OWCOSITZUHBVRQ-UHFFFAOYSA-N 0 0 333.351 3.064 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000563637026 316050682 /nfs/dbraw/zinc/05/06/82/316050682.db2.gz NRXWTHOVSSFONB-UHFFFAOYSA-N 0 0 343.383 3.034 10 5 EGBERN Cc1nc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 ZINC000563649218 316051262 /nfs/dbraw/zinc/05/12/62/316051262.db2.gz HKYBLORGBFVKAC-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN CNc1ccc(C(=O)NCCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000563822716 316075345 /nfs/dbraw/zinc/07/53/45/316075345.db2.gz BLVRKCVXWLKERY-UHFFFAOYSA-N 0 0 338.367 3.090 10 5 EGBERN COc1cccc([C@H]2CN(c3c(OC)cccc3[N+](=O)[O-])CCO2)c1 ZINC000564098968 316113537 /nfs/dbraw/zinc/11/35/37/316113537.db2.gz CREAEIGNLVJCBK-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN CNc1ccc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cc1[N+](=O)[O-] ZINC000564284173 316130486 /nfs/dbraw/zinc/13/04/86/316130486.db2.gz LALLRLODUKGGBF-UHFFFAOYSA-N 0 0 342.359 3.305 10 5 EGBERN CC[NH+](CC)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000565038567 316254551 /nfs/dbraw/zinc/25/45/51/316254551.db2.gz RGCCMMWXIJBWAG-AWEZNQCLSA-N 0 0 337.420 3.461 10 5 EGBERN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCSC1 ZINC000565452145 316325045 /nfs/dbraw/zinc/32/50/45/316325045.db2.gz WZIOVWSXORMDBE-MRVPVSSYSA-N 0 0 334.319 3.191 10 5 EGBERN Cc1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1F ZINC000569847826 316972974 /nfs/dbraw/zinc/97/29/74/316972974.db2.gz JISXUVYKMYJCCM-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1ccc(CC(=O)NCC2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000570677211 317092809 /nfs/dbraw/zinc/09/28/09/317092809.db2.gz JLMKSVLDYDSPEI-UHFFFAOYSA-N 0 0 332.400 3.233 10 5 EGBERN Cc1ccccc1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000572317256 317320551 /nfs/dbraw/zinc/32/05/51/317320551.db2.gz UNUHLRAZQQMTJL-UHFFFAOYSA-N 0 0 334.322 3.083 10 5 EGBERN Cc1nc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)oc1C ZINC000574839686 317641826 /nfs/dbraw/zinc/64/18/26/317641826.db2.gz LLGJNRMBFYECOG-UHFFFAOYSA-N 0 0 343.343 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000172488820 323283755 /nfs/dbraw/zinc/28/37/55/323283755.db2.gz OVPSXCABARKMSY-UHFFFAOYSA-N 0 0 344.392 3.144 10 5 EGBERN COC(C)(C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180291122 323434746 /nfs/dbraw/zinc/43/47/46/323434746.db2.gz HTPHWGXLDYPWPQ-UHFFFAOYSA-N 0 0 335.385 3.106 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@]3(F)c3ccccc3)n2)n1C ZINC000351208485 324195715 /nfs/dbraw/zinc/19/57/15/324195715.db2.gz CYVTXRHPUPVTSA-ZBEGNZNMSA-N 0 0 343.318 3.039 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CC2CCC1CC2 ZINC000381947500 324247856 /nfs/dbraw/zinc/24/78/56/324247856.db2.gz RRGOHSBBOOOHJT-HHISKICNSA-N 0 0 335.379 3.261 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000575881105 324500984 /nfs/dbraw/zinc/50/09/84/324500984.db2.gz GJPYUVNJFOMEHT-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN CO[C@@H]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575907847 324505756 /nfs/dbraw/zinc/50/57/56/324505756.db2.gz VAEXWTBYFBTYNQ-BXKDBHETSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1ncsc1-c1nc(COc2c(C)c(C)ncc2[N+](=O)[O-])no1 ZINC000576122591 324552517 /nfs/dbraw/zinc/55/25/17/324552517.db2.gz GUTBAFCTPWUUAN-UHFFFAOYSA-N 0 0 347.356 3.001 10 5 EGBERN CCC(CC)C(=O)N1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000576858683 324695400 /nfs/dbraw/zinc/69/54/00/324695400.db2.gz BNIRPDCHEFXEDR-UHFFFAOYSA-N 0 0 349.431 3.443 10 5 EGBERN CCC[C@H](C)[C@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000577284880 324778225 /nfs/dbraw/zinc/77/82/25/324778225.db2.gz HROYHVUUGQFTQF-WPRPVWTQSA-N 0 0 346.225 3.270 10 5 EGBERN COC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000578202812 324934818 /nfs/dbraw/zinc/93/48/18/324934818.db2.gz MKTCZOVPYPWZSI-YVEFUNNKSA-N 0 0 346.358 3.341 10 5 EGBERN C[C@@]12CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c43)C[C@@H]1C2(F)F ZINC000579144237 325069752 /nfs/dbraw/zinc/06/97/52/325069752.db2.gz PYGJMUXUCIQBKQ-SWLSCSKDSA-N 0 0 335.310 3.193 10 5 EGBERN CC(C)(CC(=O)Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)C1CC1 ZINC000579472962 325115308 /nfs/dbraw/zinc/11/53/08/325115308.db2.gz ZHNCSNCYUREEDU-UHFFFAOYSA-N 0 0 332.400 3.031 10 5 EGBERN Cc1cccc2c1ccnc2N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000580186514 325215251 /nfs/dbraw/zinc/21/52/51/325215251.db2.gz XHKUTQRYLGNSRY-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000580902244 325307991 /nfs/dbraw/zinc/30/79/91/325307991.db2.gz GODZQDGRHVJFDA-KGLIPLIRSA-N 0 0 335.404 3.030 10 5 EGBERN CC[C@H](CSC)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000581852103 325393047 /nfs/dbraw/zinc/39/30/47/325393047.db2.gz RCTPMFLJLWHGOZ-MRVPVSSYSA-N 0 0 336.335 3.485 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000583541674 325532222 /nfs/dbraw/zinc/53/22/22/325532222.db2.gz KFWWRWHQCZFAGO-INIZCTEOSA-N 0 0 336.338 3.207 10 5 EGBERN CC(C)(COCC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583896605 325560309 /nfs/dbraw/zinc/56/03/09/325560309.db2.gz GTDUTKXFHAIBKK-UHFFFAOYSA-N 0 0 327.287 3.204 10 5 EGBERN Cc1cc(-n2cccn2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000189611205 455223586 /nfs/dbraw/zinc/22/35/86/455223586.db2.gz WLLWYGKVDUIQAY-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000189770479 455238786 /nfs/dbraw/zinc/23/87/86/455238786.db2.gz UYFTXKLRYUXEIQ-SCZZXKLOSA-N 0 0 347.293 3.303 10 5 EGBERN CSc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002024622 452682987 /nfs/dbraw/zinc/68/29/87/452682987.db2.gz XXDCRCFDUZYGCR-UHFFFAOYSA-N 0 0 334.309 3.444 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000173556295 455305652 /nfs/dbraw/zinc/30/56/52/455305652.db2.gz XHJJNSRLWZZEBB-KRWDZBQOSA-N 0 0 343.383 3.066 10 5 EGBERN C[C@H](O)c1nc2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006653893 452965098 /nfs/dbraw/zinc/96/50/98/452965098.db2.gz XKMPOEVJPKBIJB-VIFPVBQESA-N 0 0 345.742 3.340 10 5 EGBERN O=C(NC1CC1)[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000006991240 453016847 /nfs/dbraw/zinc/01/68/47/453016847.db2.gz HRRRQDZAQARITL-INIZCTEOSA-N 0 0 330.315 3.133 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2cccc(Br)c2)c1 ZINC000173922507 455341649 /nfs/dbraw/zinc/34/16/49/455341649.db2.gz FYEGEVUOCKCZCH-UHFFFAOYSA-N 0 0 342.218 3.487 10 5 EGBERN Cc1ccccc1SCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000008146026 453169517 /nfs/dbraw/zinc/16/95/17/453169517.db2.gz RKVCILAHVIHPJI-UHFFFAOYSA-N 0 0 345.424 3.224 10 5 EGBERN COc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000612333795 460597921 /nfs/dbraw/zinc/59/79/21/460597921.db2.gz PAUDZFAVCSWFEB-UHFFFAOYSA-N 0 0 342.355 3.195 10 5 EGBERN CC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC(F)(F)CC1 ZINC000612335558 460599064 /nfs/dbraw/zinc/59/90/64/460599064.db2.gz ZGTCHONPUZJRNL-UHFFFAOYSA-N 0 0 338.314 3.169 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000014737456 453542238 /nfs/dbraw/zinc/54/22/38/453542238.db2.gz IOMTWQRJSLYMDY-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccccc1C ZINC000021092913 453671881 /nfs/dbraw/zinc/67/18/81/453671881.db2.gz GQQVFVORKNIMGR-QGZVFWFLSA-N 0 0 325.324 3.142 10 5 EGBERN O=C(Nc1ccccc1)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000026929402 453808341 /nfs/dbraw/zinc/80/83/41/453808341.db2.gz UOMAZQFKJGTYLG-QGZVFWFLSA-N 0 0 325.368 3.198 10 5 EGBERN Cc1sc(C(=O)NCCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000032075668 453863172 /nfs/dbraw/zinc/86/31/72/453863172.db2.gz FASDJUFSQUQOSP-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066713099 453866059 /nfs/dbraw/zinc/86/60/59/453866059.db2.gz XQVBJDPRRRQPSC-RDTXWAMCSA-N 0 0 340.379 3.126 10 5 EGBERN CN(Cc1ccc(Br)s1)c1ccncc1[N+](=O)[O-] ZINC000066796632 453874152 /nfs/dbraw/zinc/87/41/52/453874152.db2.gz JWMXXRPPKZKATD-UHFFFAOYSA-N 0 0 328.191 3.450 10 5 EGBERN CCN(CC)C(=O)c1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066808639 453875625 /nfs/dbraw/zinc/87/56/25/453875625.db2.gz AURMWOABAJSSAW-UHFFFAOYSA-N 0 0 328.372 3.084 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000066810687 453875927 /nfs/dbraw/zinc/87/59/27/453875927.db2.gz SQXIVRGRXHYSRR-UHFFFAOYSA-N 0 0 335.367 3.276 10 5 EGBERN CO[C@]1(C)C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000075294393 453876780 /nfs/dbraw/zinc/87/67/80/453876780.db2.gz OCQOILIATOOQKX-CRAIPNDOSA-N 0 0 345.399 3.352 10 5 EGBERN CO[C@@]1(C)C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000075294396 453876786 /nfs/dbraw/zinc/87/67/86/453876786.db2.gz OCQOILIATOOQKX-YJBOKZPZSA-N 0 0 345.399 3.352 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000053549704 453886977 /nfs/dbraw/zinc/88/69/77/453886977.db2.gz JNFMGDJAWQTYSC-NSHDSACASA-N 0 0 329.356 3.136 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3ccccc32)c1 ZINC000033168067 453908696 /nfs/dbraw/zinc/90/86/96/453908696.db2.gz IKYSDLRWBXJLTE-UHFFFAOYSA-N 0 0 330.365 3.356 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cn3nc(Br)sc3n2)cc1 ZINC000036939236 453932348 /nfs/dbraw/zinc/93/23/48/453932348.db2.gz OJZPDMKQKQPALH-UHFFFAOYSA-N 0 0 325.147 3.129 10 5 EGBERN CCc1cnc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000083010575 453932695 /nfs/dbraw/zinc/93/26/95/453932695.db2.gz NWOJCTRBNIELIE-UHFFFAOYSA-N 0 0 344.396 3.367 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000055012935 453956019 /nfs/dbraw/zinc/95/60/19/453956019.db2.gz HQVGPARJIIRSAX-INIZCTEOSA-N 0 0 335.404 3.029 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000067868068 453974348 /nfs/dbraw/zinc/97/43/48/453974348.db2.gz IXQLXUOABVQAEY-GFCCVEGCSA-N 0 0 336.417 3.065 10 5 EGBERN COc1ccc(NC(C)=O)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000056180244 454042615 /nfs/dbraw/zinc/04/26/15/454042615.db2.gz QKQCOSBVTFDVAT-UHFFFAOYSA-N 0 0 349.368 3.184 10 5 EGBERN CCc1noc(-c2ccc(CCNc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000068914403 454065673 /nfs/dbraw/zinc/06/56/73/454065673.db2.gz CSKCJCBVWBSFAV-UHFFFAOYSA-N 0 0 339.355 3.257 10 5 EGBERN CCc1noc(CC)c1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000087142136 454066096 /nfs/dbraw/zinc/06/60/96/454066096.db2.gz MECNUTXQRNVRNU-NSHDSACASA-N 0 0 343.383 3.228 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000069086581 454077908 /nfs/dbraw/zinc/07/79/08/454077908.db2.gz GSKCBAKBDIUFAI-UHFFFAOYSA-N 0 0 331.347 3.166 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000077294762 454087001 /nfs/dbraw/zinc/08/70/01/454087001.db2.gz KDRLDDVJWNTVCB-INIZCTEOSA-N 0 0 326.352 3.384 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252718 454096535 /nfs/dbraw/zinc/09/65/35/454096535.db2.gz MOAYLNCXIQINOT-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN COc1ccccc1C1(CNc2ncccc2[N+](=O)[O-])CCOCC1 ZINC000057150091 454106087 /nfs/dbraw/zinc/10/60/87/454106087.db2.gz SSCCMVPYUUGATH-UHFFFAOYSA-N 0 0 343.383 3.159 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H](CO)C1 ZINC000057366985 454122039 /nfs/dbraw/zinc/12/20/39/454122039.db2.gz VAUHPIKROYLPFH-QMMMGPOBSA-N 0 0 338.713 3.476 10 5 EGBERN Cc1nn(C)c(NCc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] ZINC000069773213 454142438 /nfs/dbraw/zinc/14/24/38/454142438.db2.gz IENZAUCCSTWOOD-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN COc1cc(NC[C@H]2CC(=O)Nc3ccccc32)c([N+](=O)[O-])cc1F ZINC000089420818 454147157 /nfs/dbraw/zinc/14/71/57/454147157.db2.gz OBIWEYMDCQDOAY-SNVBAGLBSA-N 0 0 345.330 3.280 10 5 EGBERN CC(=O)[C@H](C)CCCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420968 454147608 /nfs/dbraw/zinc/14/76/08/454147608.db2.gz ZJQIAAHBWGVMDB-SNVBAGLBSA-N 0 0 332.360 3.195 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000057818074 454148697 /nfs/dbraw/zinc/14/86/97/454148697.db2.gz JIGRJIPPYNRACG-LLVKDONJSA-N 0 0 346.305 3.408 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000057926750 454157108 /nfs/dbraw/zinc/15/71/08/454157108.db2.gz XZSXLDRWMPGFBN-HNNXBMFYSA-N 0 0 340.445 3.325 10 5 EGBERN COc1ccc(-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)cn1 ZINC000077896826 454166742 /nfs/dbraw/zinc/16/67/42/454166742.db2.gz UUAKHUVVHSBMBL-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCSC1 ZINC000058232486 454173445 /nfs/dbraw/zinc/17/34/45/454173445.db2.gz YHJKJSKNWKVZHL-CQSZACIVSA-N 0 0 343.408 3.138 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2ccccc2F)c1 ZINC000058268250 454176036 /nfs/dbraw/zinc/17/60/36/454176036.db2.gz KZDOIJIXWFCIGD-INIZCTEOSA-N 0 0 327.315 3.331 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000058281186 454178373 /nfs/dbraw/zinc/17/83/73/454178373.db2.gz PHBIQKJRQPMOOU-MRXNPFEDSA-N 0 0 327.315 3.331 10 5 EGBERN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000078048488 454180895 /nfs/dbraw/zinc/18/08/95/454180895.db2.gz GINRWIGAEXZTPD-UHFFFAOYSA-N 0 0 340.382 3.374 10 5 EGBERN O=C(N1CCc2c1cccc2[N+](=O)[O-])C1(c2ccc(F)cc2)CC1 ZINC000078149362 454201543 /nfs/dbraw/zinc/20/15/43/454201543.db2.gz PLBKEXOLLSRDOW-UHFFFAOYSA-N 0 0 326.327 3.355 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000089835105 454212326 /nfs/dbraw/zinc/21/23/26/454212326.db2.gz BTUIQCIEYJOJOV-GJZGRUSLSA-N 0 0 346.333 3.335 10 5 EGBERN CC(C)COC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612438649 460628831 /nfs/dbraw/zinc/62/88/31/460628831.db2.gz WGELSMZJJPORGE-UHFFFAOYSA-N 0 0 330.388 3.179 10 5 EGBERN CCOC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000078405924 454248817 /nfs/dbraw/zinc/24/88/17/454248817.db2.gz OVUYYCUVGUZAKE-CYBMUJFWSA-N 0 0 349.774 3.402 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCC(F)(F)F)n1 ZINC000131491787 454257929 /nfs/dbraw/zinc/25/79/29/454257929.db2.gz QJNMOYFJACLAEY-UHFFFAOYSA-N 0 0 341.245 3.183 10 5 EGBERN COC(=O)CCCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090084329 454275788 /nfs/dbraw/zinc/27/57/88/454275788.db2.gz HWHFMTUFQRZFIP-UHFFFAOYSA-N 0 0 329.356 3.412 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000600894149 460631697 /nfs/dbraw/zinc/63/16/97/460631697.db2.gz LVLPJAKCHKOGNN-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC(c4cccnc4)CC3)c21 ZINC000612449602 460631765 /nfs/dbraw/zinc/63/17/65/460631765.db2.gz UVAAISGBJHDMGL-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090094281 454278716 /nfs/dbraw/zinc/27/87/16/454278716.db2.gz CKPOISVOHCDHTF-KBPBESRZSA-N 0 0 340.383 3.113 10 5 EGBERN CCC[C@H]1CN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000090684457 454335551 /nfs/dbraw/zinc/33/55/51/454335551.db2.gz YRYIJULBTCDNKE-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@H](NC(=O)N(CC)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090689538 454337004 /nfs/dbraw/zinc/33/70/04/454337004.db2.gz JNFUOWWTGFAPPZ-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2c(s1)CCCCC2 ZINC000061802714 454359319 /nfs/dbraw/zinc/35/93/19/454359319.db2.gz BLRUMSNKLNJVGV-UHFFFAOYSA-N 0 0 349.412 3.287 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O ZINC000096778211 454381900 /nfs/dbraw/zinc/38/19/00/454381900.db2.gz HKUYJSXAUMCEAL-UHFFFAOYSA-N 0 0 343.383 3.001 10 5 EGBERN CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccnc1N1CCCC1 ZINC000097014254 454387222 /nfs/dbraw/zinc/38/72/22/454387222.db2.gz ZKXVOZNPZLTBEY-UHFFFAOYSA-N 0 0 344.346 3.006 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000121395639 454429979 /nfs/dbraw/zinc/42/99/79/454429979.db2.gz PYDRVBJFEGXBRI-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000073462895 454437717 /nfs/dbraw/zinc/43/77/17/454437717.db2.gz RTOPOTKMDJIOEN-GFCCVEGCSA-N 0 0 343.387 3.203 10 5 EGBERN Cc1nc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000091628925 454451975 /nfs/dbraw/zinc/45/19/75/454451975.db2.gz NJEOVFGLZLUXCM-AWEZNQCLSA-N 0 0 344.390 3.321 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000091679211 454456827 /nfs/dbraw/zinc/45/68/27/454456827.db2.gz NAVKJQWTUIOZHT-UHFFFAOYSA-N 0 0 328.324 3.276 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ncon2)c1 ZINC000101526432 454473257 /nfs/dbraw/zinc/47/32/57/454473257.db2.gz RWFVEQFDFBUWOG-RMKNXTFCSA-N 0 0 336.307 3.297 10 5 EGBERN C[C@H](C(=O)Nc1cnn(C)c1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000612485448 460638811 /nfs/dbraw/zinc/63/88/11/460638811.db2.gz MJIPOHBEIFDXFX-ZETCQYMHSA-N 0 0 342.277 3.147 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134408730 454538363 /nfs/dbraw/zinc/53/83/63/454538363.db2.gz OHZAVOGHXOKKHJ-HOCLYGCPSA-N 0 0 348.362 3.066 10 5 EGBERN Cn1cnnc1-c1ccccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000103882382 454569856 /nfs/dbraw/zinc/56/98/56/454569856.db2.gz BVILMPMMPRYXKH-KHPPLWFESA-N 0 0 349.350 3.042 10 5 EGBERN CCOc1ccc(C(=O)NCC(C)(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000092509153 454576932 /nfs/dbraw/zinc/57/69/32/454576932.db2.gz SCEUHVVIHPCEFQ-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC000080410045 454577479 /nfs/dbraw/zinc/57/74/79/454577479.db2.gz MPJJMBTYCIXJHV-OAHLLOKOSA-N 0 0 347.346 3.250 10 5 EGBERN COc1ccccc1CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104769013 454601492 /nfs/dbraw/zinc/60/14/92/454601492.db2.gz SIMXLCFYBWACRK-UHFFFAOYSA-N 0 0 329.356 3.310 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ccc(O)c(OC)c2)c1 ZINC000092654566 454601830 /nfs/dbraw/zinc/60/18/30/454601830.db2.gz GDRGEIXGYNUNSI-UHFFFAOYSA-N 0 0 336.319 3.111 10 5 EGBERN CN(OCc1ccccc1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000092826205 454643441 /nfs/dbraw/zinc/64/34/41/454643441.db2.gz VFCPKONAEJCRSP-UHFFFAOYSA-N 0 0 338.161 3.320 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000080971943 454661525 /nfs/dbraw/zinc/66/15/25/454661525.db2.gz GAIHKXZQKFLABP-UHFFFAOYSA-N 0 0 342.380 3.319 10 5 EGBERN C[C@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000052218640 454663817 /nfs/dbraw/zinc/66/38/17/454663817.db2.gz AFFOVJDURSPBIH-KBPBESRZSA-N 0 0 342.399 3.216 10 5 EGBERN COC(=O)c1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066290229 454677650 /nfs/dbraw/zinc/67/76/50/454677650.db2.gz FKFRPXAOTCYHJC-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327367 454685128 /nfs/dbraw/zinc/68/51/28/454685128.db2.gz UBQHOMWOPYUHPY-SNVBAGLBSA-N 0 0 326.399 3.004 10 5 EGBERN COc1ccc(CN2CCc3c(nc(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000106371383 454692791 /nfs/dbraw/zinc/69/27/91/454692791.db2.gz FKDXNDYGTRWCFT-UHFFFAOYSA-N 0 0 344.415 3.019 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000124145547 454701367 /nfs/dbraw/zinc/70/13/67/454701367.db2.gz FRIVODVXXKAUHH-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)c(Cl)c1 ZINC000176163238 454706627 /nfs/dbraw/zinc/70/66/27/454706627.db2.gz LBKJKMOYMMPDJG-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000106899571 454729307 /nfs/dbraw/zinc/72/93/07/454729307.db2.gz AJNAAVWWFHWIDR-HNNXBMFYSA-N 0 0 347.758 3.453 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)OCC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161861502 454729749 /nfs/dbraw/zinc/72/97/49/454729749.db2.gz VTEGAXPDNRJFNZ-LLVKDONJSA-N 0 0 329.356 3.205 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](COC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000176403063 454739975 /nfs/dbraw/zinc/73/99/75/454739975.db2.gz CJSUMIDPHIPCKS-HUUCEWRRSA-N 0 0 347.371 3.326 10 5 EGBERN CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000124574691 454749420 /nfs/dbraw/zinc/74/94/20/454749420.db2.gz PTEJNDDZQWPUFP-AWEZNQCLSA-N 0 0 348.424 3.432 10 5 EGBERN CCS(=O)(=O)C[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124652112 454756510 /nfs/dbraw/zinc/75/65/10/454756510.db2.gz ABBMBKFOLYZCGD-ZETCQYMHSA-N 0 0 341.216 3.137 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176683552 454771750 /nfs/dbraw/zinc/77/17/50/454771750.db2.gz UFRFKNHFRGXIIY-CZUORRHYSA-N 0 0 335.404 3.114 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cc(F)ccc21 ZINC000153241501 454773530 /nfs/dbraw/zinc/77/35/30/454773530.db2.gz IZDLNQCHIZSXEO-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707855 454773662 /nfs/dbraw/zinc/77/36/62/454773662.db2.gz ZWLSXWMRJNPVNP-SJORKVTESA-N 0 0 343.383 3.079 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1ccnc1 ZINC000125005950 454789866 /nfs/dbraw/zinc/78/98/66/454789866.db2.gz GAIZULGNWOXVLM-NHYWBVRUSA-N 0 0 348.790 3.168 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000153414334 454790667 /nfs/dbraw/zinc/79/06/67/454790667.db2.gz LTBANNPQYKOKJI-GOSISDBHSA-N 0 0 346.427 3.478 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000125027479 454791519 /nfs/dbraw/zinc/79/15/19/454791519.db2.gz ZPEWINBDKSLFQT-HIFRSBDPSA-N 0 0 346.408 3.214 10 5 EGBERN CCCCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000176883560 454795007 /nfs/dbraw/zinc/79/50/07/454795007.db2.gz JXXRKZTZPHCFHG-HUUCEWRRSA-N 0 0 335.404 3.012 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000153500300 454800302 /nfs/dbraw/zinc/80/03/02/454800302.db2.gz XAVJJYNCQISOKN-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(Br)s1 ZINC000153586196 454809393 /nfs/dbraw/zinc/80/93/93/454809393.db2.gz AERXUHDZCBJCEM-UHFFFAOYSA-N 0 0 349.593 3.282 10 5 EGBERN CC(C)=CCC[C@@]1(C)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000153744226 454828854 /nfs/dbraw/zinc/82/88/54/454828854.db2.gz JWIICGCIYZSIEM-OAHLLOKOSA-N 0 0 337.401 3.213 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000163232245 454832582 /nfs/dbraw/zinc/83/25/82/454832582.db2.gz LJMVMAVPRVFMHD-CJNGLKHVSA-N 0 0 335.404 3.356 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000125796018 454847900 /nfs/dbraw/zinc/84/79/00/454847900.db2.gz IEJBAUFIOQRMPC-LBPRGKRZSA-N 0 0 346.358 3.471 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000154178513 454871316 /nfs/dbraw/zinc/87/13/16/454871316.db2.gz HIWVWKVTJCXHMY-CQSZACIVSA-N 0 0 348.424 3.126 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@H](c3ccsc3)C2)c1 ZINC000126155085 454874462 /nfs/dbraw/zinc/87/44/62/454874462.db2.gz IDZLEOSIVSHUPJ-INIZCTEOSA-N 0 0 334.397 3.109 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000177799583 454906779 /nfs/dbraw/zinc/90/67/79/454906779.db2.gz NBSWRGRVAJEZPX-DZKIICNBSA-N 0 0 348.399 3.142 10 5 EGBERN CC[C@@H](NC(=O)CSCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177795890 454907188 /nfs/dbraw/zinc/90/71/88/454907188.db2.gz KLTWBGWNUKUJPW-MRXNPFEDSA-N 0 0 345.424 3.491 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175724010 455488054 /nfs/dbraw/zinc/48/80/54/455488054.db2.gz SDMUBFPKPMIYIS-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN COCc1ccsc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000182324972 455488919 /nfs/dbraw/zinc/48/89/19/455488919.db2.gz AGSCWFHPZREHLZ-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN COc1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000154744641 454926410 /nfs/dbraw/zinc/92/64/10/454926410.db2.gz KNLQECIYVFKJLP-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000154882339 454939390 /nfs/dbraw/zinc/93/93/90/454939390.db2.gz BIPNDDHXWRSRDE-UHFFFAOYSA-N 0 0 345.786 3.413 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000155060656 454959270 /nfs/dbraw/zinc/95/92/70/454959270.db2.gz XHGOGOCIRSCSQH-CYBMUJFWSA-N 0 0 328.368 3.312 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000170730116 454964937 /nfs/dbraw/zinc/96/49/37/454964937.db2.gz BQQFXXPUJCCKGK-LBPRGKRZSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1c(CC(=O)N(C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000160825792 455502722 /nfs/dbraw/zinc/50/27/22/455502722.db2.gz DXXWQIOPSCSDDW-UHFFFAOYSA-N 0 0 333.775 3.153 10 5 EGBERN CC[C@H](NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155548036 455014643 /nfs/dbraw/zinc/01/46/43/455014643.db2.gz VCUNOACGTCHXNY-XHSDSOJGSA-N 0 0 332.400 3.413 10 5 EGBERN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCCO1 ZINC000127985813 455015693 /nfs/dbraw/zinc/01/56/93/455015693.db2.gz GQOPROIDVBODJE-OAHLLOKOSA-N 0 0 333.413 3.329 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000115589227 455022005 /nfs/dbraw/zinc/02/20/05/455022005.db2.gz KSHFRBDDBLKGPW-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN O=C(NC[C@H]1CCCS1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612554879 460658687 /nfs/dbraw/zinc/65/86/87/460658687.db2.gz FPIRKIIGMNRXCC-MRVPVSSYSA-N 0 0 334.319 3.239 10 5 EGBERN Cc1oc(-c2ccsc2)nc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155844884 455052275 /nfs/dbraw/zinc/05/22/75/455052275.db2.gz FHQLVMFWLUJPFK-UHFFFAOYSA-N 0 0 331.353 3.138 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000156169963 455089256 /nfs/dbraw/zinc/08/92/56/455089256.db2.gz LSDBYQIYVXAZAW-SNVBAGLBSA-N 0 0 348.378 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000118268309 455101468 /nfs/dbraw/zinc/10/14/68/455101468.db2.gz YOLYOTAOTIQKHP-BBRMVZONSA-N 0 0 334.416 3.474 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000172037863 455112368 /nfs/dbraw/zinc/11/23/68/455112368.db2.gz PCLHBGOIKQOKBO-OAHLLOKOSA-N 0 0 346.770 3.431 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000172092889 455120835 /nfs/dbraw/zinc/12/08/35/455120835.db2.gz DRXFSMQFIIBSLR-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1sc(C(=O)NCC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000156597885 455136620 /nfs/dbraw/zinc/13/66/20/455136620.db2.gz LAHRHGLMBPSQQC-UHFFFAOYSA-N 0 0 326.418 3.027 10 5 EGBERN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1CO ZINC000157061605 455163462 /nfs/dbraw/zinc/16/34/62/455163462.db2.gz DATARPFLOGRELF-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN CCOC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)(C)C ZINC000180485340 455179634 /nfs/dbraw/zinc/17/96/34/455179634.db2.gz JZKSLDLGSIGQIW-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000182915252 455190886 /nfs/dbraw/zinc/19/08/86/455190886.db2.gz CSBLQTLTZQFCCJ-CYBMUJFWSA-N 0 0 342.399 3.127 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173587418 455311230 /nfs/dbraw/zinc/31/12/30/455311230.db2.gz FGGIFEXAFFDHGX-CQSZACIVSA-N 0 0 345.424 3.308 10 5 EGBERN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000183635320 455314611 /nfs/dbraw/zinc/31/46/11/455314611.db2.gz VHVRFONDRGHTAR-SECBINFHSA-N 0 0 336.298 3.193 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)nc2)c(Cl)c1 ZINC000265524009 455338530 /nfs/dbraw/zinc/33/85/30/455338530.db2.gz MJPPBFMXIAGMHV-UHFFFAOYSA-N 0 0 333.779 3.251 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173932760 455343118 /nfs/dbraw/zinc/34/31/18/455343118.db2.gz MFXNZXRZMCHLGI-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000174514815 455399737 /nfs/dbraw/zinc/39/97/37/455399737.db2.gz HMLCUEPOMINNQP-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091323 455433991 /nfs/dbraw/zinc/43/39/91/455433991.db2.gz YVENHFDDIYMFOJ-HNNXBMFYSA-N 0 0 339.823 3.081 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000175729089 455488499 /nfs/dbraw/zinc/48/84/99/455488499.db2.gz GKMUVOPEPKAHPW-BBRMVZONSA-N 0 0 325.368 3.316 10 5 EGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000191632737 455505706 /nfs/dbraw/zinc/50/57/06/455505706.db2.gz YLXBVTWPXUJRRI-HNNXBMFYSA-N 0 0 344.415 3.297 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(C)co3)c2)n1 ZINC000191668872 455508861 /nfs/dbraw/zinc/50/88/61/455508861.db2.gz QJOCWQBTGNTYHR-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)n1 ZINC000191694445 455510159 /nfs/dbraw/zinc/51/01/59/455510159.db2.gz BRNQQRSURDGDHJ-ZDUSSCGKSA-N 0 0 344.415 3.296 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(cccc3C(C)C)C2)n1 ZINC000191723181 455513558 /nfs/dbraw/zinc/51/35/58/455513558.db2.gz UXIWHYBOPDLBST-UHFFFAOYSA-N 0 0 342.399 3.133 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000160932708 455515037 /nfs/dbraw/zinc/51/50/37/455515037.db2.gz STQSNGAZYVQCRZ-UHFFFAOYSA-N 0 0 334.401 3.456 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)n1 ZINC000191850985 455526154 /nfs/dbraw/zinc/52/61/54/455526154.db2.gz CRJBLPUFNSTTOY-HNNXBMFYSA-N 0 0 342.399 3.405 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000192576639 455644783 /nfs/dbraw/zinc/64/47/83/455644783.db2.gz SOQZGLPDLTUZNP-NSHDSACASA-N 0 0 348.403 3.180 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000268318846 455649777 /nfs/dbraw/zinc/64/97/77/455649777.db2.gz SGGLUPTVGHITRR-GDBMZVCRSA-N 0 0 342.395 3.188 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000192732251 455680399 /nfs/dbraw/zinc/68/03/99/455680399.db2.gz RZMCYBWJOOSCEH-HNNXBMFYSA-N 0 0 348.378 3.145 10 5 EGBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCCN(C)C1 ZINC000277852320 455686381 /nfs/dbraw/zinc/68/63/81/455686381.db2.gz AHMKZGNKSFUJJR-CQSZACIVSA-N 0 0 349.434 3.260 10 5 EGBERN COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000192806367 455697247 /nfs/dbraw/zinc/69/72/47/455697247.db2.gz LQEOSPRRDYTBTA-LBPRGKRZSA-N 0 0 347.371 3.184 10 5 EGBERN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911222 455716637 /nfs/dbraw/zinc/71/66/37/455716637.db2.gz QLPVWHHRFNEIRW-LRDDRELGSA-N 0 0 341.415 3.251 10 5 EGBERN Cc1cc(NC(=O)Cc2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192920212 455717773 /nfs/dbraw/zinc/71/77/73/455717773.db2.gz WDLPFMRDEOUBDB-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000278160147 455773368 /nfs/dbraw/zinc/77/33/68/455773368.db2.gz PFLDPFVTPMZLHL-NSHDSACASA-N 0 0 348.790 3.300 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000186468173 455774775 /nfs/dbraw/zinc/77/47/75/455774775.db2.gz RSHWTKJHSPAWRN-NSHDSACASA-N 0 0 344.371 3.413 10 5 EGBERN COCC(C)(C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000293596028 455792654 /nfs/dbraw/zinc/79/26/54/455792654.db2.gz BZBXUQBWALEPQC-UHFFFAOYSA-N 0 0 338.407 3.496 10 5 EGBERN COc1cc(CSCc2nc(CC3CC3)no2)ccc1[N+](=O)[O-] ZINC000601061567 460694595 /nfs/dbraw/zinc/69/45/95/460694595.db2.gz VCQBPQZRQAPQRG-UHFFFAOYSA-N 0 0 335.385 3.372 10 5 EGBERN Cn1nccc1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000195498561 455969057 /nfs/dbraw/zinc/96/90/57/455969057.db2.gz CVPNETFWJPAXTB-UHFFFAOYSA-N 0 0 337.383 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000272521493 455980605 /nfs/dbraw/zinc/98/06/05/455980605.db2.gz IYMSOFOQHYRIAW-HNNXBMFYSA-N 0 0 340.379 3.444 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280537683 455993403 /nfs/dbraw/zinc/99/34/03/455993403.db2.gz HSBQKZMLAAFPCM-GFCCVEGCSA-N 0 0 343.177 3.173 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272581201 456001399 /nfs/dbraw/zinc/00/13/99/456001399.db2.gz MHNXJWAIDINQKR-HIFRSBDPSA-N 0 0 349.431 3.472 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000297021091 456094475 /nfs/dbraw/zinc/09/44/75/456094475.db2.gz SXIDLBSDUNKNPQ-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2COc3c(cccc3OC)C2)c1 ZINC000301342161 456095327 /nfs/dbraw/zinc/09/53/27/456095327.db2.gz JAFLZXFKIKTOQH-LLVKDONJSA-N 0 0 348.330 3.167 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000271076261 456118725 /nfs/dbraw/zinc/11/87/25/456118725.db2.gz RXVCWRWDJWSIPL-CZUORRHYSA-N 0 0 346.774 3.027 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)c2cccs2)c1 ZINC000301486182 456128248 /nfs/dbraw/zinc/12/82/48/456128248.db2.gz XIRNTLPJBQIHAH-CQSZACIVSA-N 0 0 326.349 3.124 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000297356573 456196858 /nfs/dbraw/zinc/19/68/58/456196858.db2.gz BSGPORKUXJUWHQ-IAQYHMDHSA-N 0 0 342.355 3.157 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301745774 456204970 /nfs/dbraw/zinc/20/49/70/456204970.db2.gz OSANMBFJPBMGQH-GFCCVEGCSA-N 0 0 348.790 3.343 10 5 EGBERN CCCN(Cc1ccccc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301780199 456211993 /nfs/dbraw/zinc/21/19/93/456211993.db2.gz SLVZWSWSRFZWIP-UHFFFAOYSA-N 0 0 338.367 3.019 10 5 EGBERN COc1cc(N(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000273199145 456212396 /nfs/dbraw/zinc/21/23/96/456212396.db2.gz SEAMJDGNTSUBIO-VIFPVBQESA-N 0 0 325.365 3.439 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H](OC)C2)cc1Cl ZINC000301807502 456219243 /nfs/dbraw/zinc/21/92/43/456219243.db2.gz YTUAZRGSMLAQJL-UWVGGRQHSA-N 0 0 342.779 3.404 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCc4c3cccc4Cl)nn21 ZINC000301894813 456244316 /nfs/dbraw/zinc/24/43/16/456244316.db2.gz BDRJPLIAARLCCL-LBPRGKRZSA-N 0 0 329.747 3.390 10 5 EGBERN C[C@@H]1CCCCN1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893893 456244355 /nfs/dbraw/zinc/24/43/55/456244355.db2.gz PBOUONRTEILZMD-SNVBAGLBSA-N 0 0 343.225 3.039 10 5 EGBERN CC(C)c1ccc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301934384 456254131 /nfs/dbraw/zinc/25/41/31/456254131.db2.gz QHXRZCBOGMQOJF-UHFFFAOYSA-N 0 0 325.372 3.397 10 5 EGBERN CCCOc1cc(C)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301963889 456260204 /nfs/dbraw/zinc/26/02/04/456260204.db2.gz NPWQXVSTWNXMHC-UHFFFAOYSA-N 0 0 341.371 3.347 10 5 EGBERN CCO[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000301966132 456260333 /nfs/dbraw/zinc/26/03/33/456260333.db2.gz OHZQUSRBCHTNJQ-RYUDHWBXSA-N 0 0 333.392 3.033 10 5 EGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Sc1ccccc1 ZINC000301993418 456266674 /nfs/dbraw/zinc/26/66/74/456266674.db2.gz NODSLBWSHZPFPS-LLVKDONJSA-N 0 0 329.385 3.230 10 5 EGBERN CC(=O)c1ccc(Sc2nnc(C3CCC3)n2C)c([N+](=O)[O-])c1 ZINC000302040792 456273740 /nfs/dbraw/zinc/27/37/40/456273740.db2.gz HXRKDEVCRFTVII-UHFFFAOYSA-N 0 0 332.385 3.345 10 5 EGBERN COC(=O)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])nc1C1CC1 ZINC000302043909 456274702 /nfs/dbraw/zinc/27/47/02/456274702.db2.gz SRCJXFXUVISMGV-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN C[NH+](C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000302050264 456276523 /nfs/dbraw/zinc/27/65/23/456276523.db2.gz ONLQHEHCWIMUHS-KRWDZBQOSA-N 0 0 349.818 3.455 10 5 EGBERN CCOc1cccc(N2CCO[C@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000302087579 456283293 /nfs/dbraw/zinc/28/32/93/456283293.db2.gz FQJWUCPQZGNIPO-KRWDZBQOSA-N 0 0 344.367 3.277 10 5 EGBERN Cc1c(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cccc1[N+](=O)[O-] ZINC000347658332 456286827 /nfs/dbraw/zinc/28/68/27/456286827.db2.gz IWVNTYZIKQSBAP-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2cccc(-n3ccnn3)c2)c1 ZINC000302177444 456307747 /nfs/dbraw/zinc/30/77/47/456307747.db2.gz XTVNWOUZCYGZNI-UHFFFAOYSA-N 0 0 330.275 3.116 10 5 EGBERN CCCCn1ncc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000302182502 456309618 /nfs/dbraw/zinc/30/96/18/456309618.db2.gz ODPNKMZUUFTJOH-UHFFFAOYSA-N 0 0 332.360 3.430 10 5 EGBERN COC(=O)C1(CNc2cc(OC)cc(F)c2[N+](=O)[O-])CCCCC1 ZINC000302191416 456313160 /nfs/dbraw/zinc/31/31/60/456313160.db2.gz VSYNQHCYSALWGI-UHFFFAOYSA-N 0 0 340.351 3.278 10 5 EGBERN COc1cc(CN2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] ZINC000352792259 456314003 /nfs/dbraw/zinc/31/40/03/456314003.db2.gz LQJWMLQMAVPXOC-UHFFFAOYSA-N 0 0 328.368 3.306 10 5 EGBERN COCCC(C)(C)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275834018 456326613 /nfs/dbraw/zinc/32/66/13/456326613.db2.gz SPDULPYANLNTPM-UHFFFAOYSA-N 0 0 328.796 3.349 10 5 EGBERN Cc1ccc(CNc2ccn(C3CCSCC3)n2)cc1[N+](=O)[O-] ZINC000601140154 460728226 /nfs/dbraw/zinc/72/82/26/460728226.db2.gz UKOBPJKCPLILTC-UHFFFAOYSA-N 0 0 332.429 3.202 10 5 EGBERN CNC(=O)c1ccc(N2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000302370351 456337325 /nfs/dbraw/zinc/33/73/25/456337325.db2.gz CKZFMVOGIPWWPF-UHFFFAOYSA-N 0 0 337.379 3.006 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2nn(C)c3ccccc23)c1 ZINC000302473558 456346856 /nfs/dbraw/zinc/34/68/56/456346856.db2.gz WXQQMUSIFBQQQZ-UHFFFAOYSA-N 0 0 344.346 3.284 10 5 EGBERN Cc1cc(N(C)C[C@@H]2CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000302677831 456374092 /nfs/dbraw/zinc/37/40/92/456374092.db2.gz NNGNARVACMDTGA-JTQLQIEISA-N 0 0 329.194 3.281 10 5 EGBERN CO[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000276045922 456377383 /nfs/dbraw/zinc/37/73/83/456377383.db2.gz RFAWIWRPVJPJJT-NOZJJQNGSA-N 0 0 346.305 3.111 10 5 EGBERN Cc1ccnc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282002894 456387489 /nfs/dbraw/zinc/38/74/89/456387489.db2.gz ULCDEOSNTRRVFM-AWEZNQCLSA-N 0 0 341.415 3.215 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000347842136 456399122 /nfs/dbraw/zinc/39/91/22/456399122.db2.gz GCUISBLPDCBVFD-GHMZBOCLSA-N 0 0 346.305 3.163 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000347848631 456403479 /nfs/dbraw/zinc/40/34/79/456403479.db2.gz OEWSQYWCJOXGLF-SKDRFNHKSA-N 0 0 348.346 3.486 10 5 EGBERN CC(C)(C)c1nc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601149823 460732752 /nfs/dbraw/zinc/73/27/52/460732752.db2.gz PZQIPKCTZDTRMC-QGZVFWFLSA-N 0 0 349.456 3.346 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347863151 456412606 /nfs/dbraw/zinc/41/26/06/456412606.db2.gz ZSMOOZJEZSDRLP-WDEREUQCSA-N 0 0 345.321 3.196 10 5 EGBERN COc1cc(OC)c2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000302865072 456420078 /nfs/dbraw/zinc/42/00/78/456420078.db2.gz UCHCYWDRYDAACZ-UHFFFAOYSA-N 0 0 340.339 3.167 10 5 EGBERN CC[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000352989999 456431424 /nfs/dbraw/zinc/43/14/24/456431424.db2.gz MWEXSDRDKDEICG-OAHLLOKOSA-N 0 0 342.399 3.468 10 5 EGBERN COc1ccc(CNC(=O)c2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000340391357 456432804 /nfs/dbraw/zinc/43/28/04/456432804.db2.gz IYATUQROLWLSIS-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000290973339 456483155 /nfs/dbraw/zinc/48/31/55/456483155.db2.gz IZDBMRWLSPCYJC-NWDGAFQWSA-N 0 0 347.444 3.203 10 5 EGBERN COCCC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000291115403 456533980 /nfs/dbraw/zinc/53/39/80/456533980.db2.gz CZTFAROKQULFLL-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248379 456568889 /nfs/dbraw/zinc/56/88/89/456568889.db2.gz UZRSGOIQOUXTMC-SCZZXKLOSA-N 0 0 328.294 3.244 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248380 456569124 /nfs/dbraw/zinc/56/91/24/456569124.db2.gz UZRSGOIQOUXTMC-WCBMZHEXSA-N 0 0 328.294 3.244 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000340611830 456570744 /nfs/dbraw/zinc/57/07/44/456570744.db2.gz DDLIRAXBZBJGSN-SWLSCSKDSA-N 0 0 346.387 3.305 10 5 EGBERN CCC(C)(C)OCc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000348278408 456591198 /nfs/dbraw/zinc/59/11/98/456591198.db2.gz LUUKQUCINSFNMT-UHFFFAOYSA-N 0 0 346.387 3.286 10 5 EGBERN Cc1nc(C)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282691860 456593987 /nfs/dbraw/zinc/59/39/87/456593987.db2.gz RPSIOFANJLIZAA-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN Cc1cc(C)c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2=O)c(C)c1 ZINC000276903579 456615327 /nfs/dbraw/zinc/61/53/27/456615327.db2.gz MRSFFPKNQULWKK-OAHLLOKOSA-N 0 0 340.383 3.132 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cn3cccnc3n2)c(C(F)(F)F)c1 ZINC000340678071 456617556 /nfs/dbraw/zinc/61/75/56/456617556.db2.gz QAXHKOQNFKTPHP-UHFFFAOYSA-N 0 0 338.245 3.235 10 5 EGBERN Cc1nc([C@@H](C)OC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])no1 ZINC000277045479 456662540 /nfs/dbraw/zinc/66/25/40/456662540.db2.gz HKFGMXXPFKZILX-SSDOTTSWSA-N 0 0 325.708 3.166 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)COc1ccccc1 ZINC000348419491 456678959 /nfs/dbraw/zinc/67/89/59/456678959.db2.gz HTGKQDCEIBJEOP-GFCCVEGCSA-N 0 0 330.340 3.257 10 5 EGBERN CC(C)(NC(=O)NCCc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000291590277 456689097 /nfs/dbraw/zinc/68/90/97/456689097.db2.gz HLHMJYRVYHOCMR-UHFFFAOYSA-N 0 0 333.413 3.433 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000340886801 456740437 /nfs/dbraw/zinc/74/04/37/456740437.db2.gz XFNXZEGTWMGIBD-ZDUSSCGKSA-N 0 0 334.351 3.367 10 5 EGBERN CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000299618290 456745796 /nfs/dbraw/zinc/74/57/96/456745796.db2.gz JPFTXMQTYGZOIJ-UHFFFAOYSA-N 0 0 330.359 3.370 10 5 EGBERN O=C(NCCCOC(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000338287303 456748370 /nfs/dbraw/zinc/74/83/70/456748370.db2.gz ZXIOSFYLDKQAFJ-UHFFFAOYSA-N 0 0 346.333 3.040 10 5 EGBERN C[C@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000277301418 456768410 /nfs/dbraw/zinc/76/84/10/456768410.db2.gz RWNQQDDQIHCUNY-INIZCTEOSA-N 0 0 339.367 3.187 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H](CO)c2cccnc2)c(Cl)c1 ZINC000340935270 456769605 /nfs/dbraw/zinc/76/96/05/456769605.db2.gz NHMNRACBSBQMDZ-JTQLQIEISA-N 0 0 342.182 3.485 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000291881806 456786426 /nfs/dbraw/zinc/78/64/26/456786426.db2.gz JAQRSRAHKMRDRD-DZGCQCFKSA-N 0 0 340.326 3.171 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@](CO)(c2ccccc2)C1 ZINC000291927648 456800952 /nfs/dbraw/zinc/80/09/52/456800952.db2.gz LXBVWLVUENADPJ-FQEVSTJZSA-N 0 0 349.390 3.283 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277399799 456810917 /nfs/dbraw/zinc/81/09/17/456810917.db2.gz FHINRXXDUDKKMJ-VIFPVBQESA-N 0 0 341.289 3.491 10 5 EGBERN Cc1noc2nc(C)cc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])c12 ZINC000341287529 456834120 /nfs/dbraw/zinc/83/41/20/456834120.db2.gz MWRAXYUQZRSIPX-JTQLQIEISA-N 0 0 340.339 3.239 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1C ZINC000341305030 456837822 /nfs/dbraw/zinc/83/78/22/456837822.db2.gz PSNOPNWDGZJOTO-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344799057 456859618 /nfs/dbraw/zinc/85/96/18/456859618.db2.gz YVYZCNNCRZTBMI-DHDCSXOGSA-N 0 0 349.394 3.369 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353720752 456871041 /nfs/dbraw/zinc/87/10/41/456871041.db2.gz DGGYGULTTCAJQB-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCSCC1 ZINC000341722450 456915367 /nfs/dbraw/zinc/91/53/67/456915367.db2.gz PEOWMUUZRCSQND-UHFFFAOYSA-N 0 0 345.218 3.439 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000345165369 456950143 /nfs/dbraw/zinc/95/01/43/456950143.db2.gz SCVFWIFLOFUOPR-ZDUSSCGKSA-N 0 0 345.399 3.355 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000353924640 456967665 /nfs/dbraw/zinc/96/76/65/456967665.db2.gz JJKRVIMLFDJYCY-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000339186295 456982675 /nfs/dbraw/zinc/98/26/75/456982675.db2.gz GGKQBKJYECZXTB-INIZCTEOSA-N 0 0 340.379 3.476 10 5 EGBERN C[C@@H](NC(=O)c1cc2nc[nH]c2cc1F)c1cccc([N+](=O)[O-])c1 ZINC000341919451 457000693 /nfs/dbraw/zinc/00/06/93/457000693.db2.gz ORUVFQVUBOIRDH-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000339241767 457012085 /nfs/dbraw/zinc/01/20/85/457012085.db2.gz RNSBCVSFSFZXHO-JTQLQIEISA-N 0 0 342.277 3.218 10 5 EGBERN COc1c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000356488446 457017087 /nfs/dbraw/zinc/01/70/87/457017087.db2.gz YAGZHYFBGLXIDC-LBPRGKRZSA-N 0 0 344.367 3.012 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nccc(-c2ccccc2)n1 ZINC000342031366 457069019 /nfs/dbraw/zinc/06/90/19/457069019.db2.gz XUSASOCVCHYHSL-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330839625 457093499 /nfs/dbraw/zinc/09/34/99/457093499.db2.gz VQUJZCWPOCXPSF-MWLCHTKSSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1sc(C(=O)NCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000342143504 457133513 /nfs/dbraw/zinc/13/35/13/457133513.db2.gz VBPLYTGPUHJPSC-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN COc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc1C ZINC000356725767 457136696 /nfs/dbraw/zinc/13/66/96/457136696.db2.gz XXQGQLXRFJVQDN-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CC(=O)c1cc(NCc2c3c(nn2C)CCCC3)ccc1[N+](=O)[O-] ZINC000359954825 457170088 /nfs/dbraw/zinc/17/00/88/457170088.db2.gz QHGXRVVABHEIDX-UHFFFAOYSA-N 0 0 328.372 3.022 10 5 EGBERN Cc1ccnc2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc12 ZINC000346856330 457186369 /nfs/dbraw/zinc/18/63/69/457186369.db2.gz ANKQFFLUVNGMFE-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000342306172 457227642 /nfs/dbraw/zinc/22/76/42/457227642.db2.gz FSQKAVDLQKLLST-INIZCTEOSA-N 0 0 334.347 3.220 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000354519218 457267584 /nfs/dbraw/zinc/26/75/84/457267584.db2.gz DOHNUHLKLQADGT-RYUDHWBXSA-N 0 0 330.306 3.232 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC(C)C)nc2)c1 ZINC000360149525 457275113 /nfs/dbraw/zinc/27/51/13/457275113.db2.gz QRTCLPSHPOFMJV-UHFFFAOYSA-N 0 0 345.355 3.176 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CCCCCO3)cc2[N+](=O)[O-])C1 ZINC000351681430 457311990 /nfs/dbraw/zinc/31/19/90/457311990.db2.gz ZONXKOFUCLYWBS-AWEZNQCLSA-N 0 0 347.415 3.389 10 5 EGBERN CCOCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347277061 457325844 /nfs/dbraw/zinc/32/58/44/457325844.db2.gz IUMJRXFQOFIIPA-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN CNC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000360762344 457341005 /nfs/dbraw/zinc/34/10/05/457341005.db2.gz FIKQIQMTPOIMBG-INIZCTEOSA-N 0 0 347.802 3.215 10 5 EGBERN COc1cc(NCC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000360783435 457350939 /nfs/dbraw/zinc/35/09/39/457350939.db2.gz TXUFZBCMIZKVIM-NSHDSACASA-N 0 0 348.330 3.385 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Sc1n[nH]c(-c2ccccc2)n1 ZINC000360880871 457403462 /nfs/dbraw/zinc/40/34/62/457403462.db2.gz FNEKIHBEVHSXHS-UHFFFAOYSA-N 0 0 330.373 3.056 10 5 EGBERN Cc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1[C@@H](C)C1CC1 ZINC000342640024 457420883 /nfs/dbraw/zinc/42/08/83/457420883.db2.gz PACHJOXHKHBSEY-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000342666566 457440958 /nfs/dbraw/zinc/44/09/58/457440958.db2.gz ATFJMZUEOQNWJA-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN COCc1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)o1 ZINC000357334601 457453965 /nfs/dbraw/zinc/45/39/65/457453965.db2.gz ZMWZYBCAAZCQCA-UHFFFAOYSA-N 0 0 329.312 3.283 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000364019165 457473523 /nfs/dbraw/zinc/47/35/23/457473523.db2.gz IGRUPVINEULPMK-AWEZNQCLSA-N 0 0 330.344 3.044 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1Oc1ncc(C)cc1[N+](=O)[O-] ZINC000425271002 457478224 /nfs/dbraw/zinc/47/82/24/457478224.db2.gz BRKYWULAMOQUME-HSZRJFAPSA-N 0 0 336.369 3.145 10 5 EGBERN CCc1n[nH]c(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000342721040 457479495 /nfs/dbraw/zinc/47/94/95/457479495.db2.gz DEMRFNMAAVXFKA-SWLSCSKDSA-N 0 0 342.399 3.494 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000361008621 457507106 /nfs/dbraw/zinc/50/71/06/457507106.db2.gz WPEGEXVPFVIGIL-SFHVURJKSA-N 0 0 342.399 3.146 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1Cc2ccccc2[C@@H]1C ZINC000361056763 457551047 /nfs/dbraw/zinc/55/10/47/457551047.db2.gz ILGDGXPVKRJUGY-ZDUSSCGKSA-N 0 0 325.368 3.419 10 5 EGBERN CCOc1cccc(CNc2ccncc2[N+](=O)[O-])c1OC(F)F ZINC000361074399 457566345 /nfs/dbraw/zinc/56/63/45/457566345.db2.gz PNOAGILMGHHHPJ-UHFFFAOYSA-N 0 0 339.298 3.024 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000357585577 457607882 /nfs/dbraw/zinc/60/78/82/457607882.db2.gz QEHSJEGUCNOEOT-UHFFFAOYSA-N 0 0 348.790 3.300 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000409632798 457610546 /nfs/dbraw/zinc/61/05/46/457610546.db2.gz QYKTVVBUOVWHKV-CYBMUJFWSA-N 0 0 327.331 3.232 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374543506 457654537 /nfs/dbraw/zinc/65/45/37/457654537.db2.gz MFIYZJWLVHYTIQ-SFHVURJKSA-N 0 0 330.359 3.264 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000374698805 457689813 /nfs/dbraw/zinc/68/98/13/457689813.db2.gz RNGBQZLDUWQDKU-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCOCC1 ZINC000364811505 457698381 /nfs/dbraw/zinc/69/83/81/457698381.db2.gz PTPGYUHRVSOBCJ-VIFPVBQESA-N 0 0 332.278 3.369 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739497 457710284 /nfs/dbraw/zinc/71/02/84/457710284.db2.gz NKIJXQQEMGSMSA-MRXNPFEDSA-N 0 0 345.399 3.299 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCn2ccnc21 ZINC000364971901 457720357 /nfs/dbraw/zinc/72/03/57/457720357.db2.gz ABEYUXOKAFKEEC-SECBINFHSA-N 0 0 341.293 3.195 10 5 EGBERN CC(C)c1cccc2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000411078867 457794583 /nfs/dbraw/zinc/79/45/83/457794583.db2.gz DKZREIFKDHZARK-UHFFFAOYSA-N 0 0 328.372 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000433547587 457846903 /nfs/dbraw/zinc/84/69/03/457846903.db2.gz HWDZHIIPRXKVMN-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN CCOc1cccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000433625644 457862407 /nfs/dbraw/zinc/86/24/07/457862407.db2.gz MTEYESRUNVGSIZ-UHFFFAOYSA-N 0 0 329.356 3.358 10 5 EGBERN CC(C)(C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000426638661 457867281 /nfs/dbraw/zinc/86/72/81/457867281.db2.gz RTOHWNYGEQVCAA-UHFFFAOYSA-N 0 0 342.399 3.002 10 5 EGBERN O=C(NCCCCF)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000361823544 457887354 /nfs/dbraw/zinc/88/73/54/457887354.db2.gz HCCKEZTWECPCBS-UHFFFAOYSA-N 0 0 334.145 3.229 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375409762 457920775 /nfs/dbraw/zinc/92/07/75/457920775.db2.gz ZAXXCZNSRUGSCW-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CCCCCC1 ZINC000411585224 457924944 /nfs/dbraw/zinc/92/49/44/457924944.db2.gz LRPNNJWYAYJVEG-UHFFFAOYSA-N 0 0 347.415 3.237 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](c4cccs4)C3)nc2c1 ZINC000444651926 457927720 /nfs/dbraw/zinc/92/77/20/457927720.db2.gz IJPSCAMKJHKIOI-CQSZACIVSA-N 0 0 344.396 3.106 10 5 EGBERN O=C(NCc1cc(F)c(Cl)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000434001128 457929981 /nfs/dbraw/zinc/92/99/81/457929981.db2.gz HEMIFWNGHHRBPG-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)c2ccccc2)n1 ZINC000427115494 457944716 /nfs/dbraw/zinc/94/47/16/457944716.db2.gz BOJXIHUHBCCFMG-UHFFFAOYSA-N 0 0 340.339 3.251 10 5 EGBERN Cc1sc(C(=O)N2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000361968488 457983815 /nfs/dbraw/zinc/98/38/15/457983815.db2.gz JQEVPTFOXHZXGQ-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000371553177 457986153 /nfs/dbraw/zinc/98/61/53/457986153.db2.gz MLFRDJFVGUZDHZ-UHFFFAOYSA-N 0 0 346.770 3.269 10 5 EGBERN CCCCn1ncc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1C(C)C ZINC000427477729 457992353 /nfs/dbraw/zinc/99/23/53/457992353.db2.gz AZALMAGMOGMCES-UHFFFAOYSA-N 0 0 348.407 3.184 10 5 EGBERN CCN(CC(F)F)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445158537 458020465 /nfs/dbraw/zinc/02/04/65/458020465.db2.gz LTASKJBPQALFAZ-UHFFFAOYSA-N 0 0 330.334 3.409 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000434775267 458048900 /nfs/dbraw/zinc/04/89/00/458048900.db2.gz JOGNKEZLWTZJLX-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN CCOc1ccc(NC(=O)CN2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412046308 458064888 /nfs/dbraw/zinc/06/48/88/458064888.db2.gz QYFDOEFZHUAGSF-LBPRGKRZSA-N 0 0 335.404 3.052 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000445579011 458065798 /nfs/dbraw/zinc/06/57/98/458065798.db2.gz GVWMUKBYNZLVQD-NXEZZACHSA-N 0 0 345.746 3.303 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000358636999 458121476 /nfs/dbraw/zinc/12/14/76/458121476.db2.gz MBSVUKZBEHBTDU-LBPRGKRZSA-N 0 0 330.388 3.343 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000428375066 458130265 /nfs/dbraw/zinc/13/02/65/458130265.db2.gz ORMCGKLSZMIBSH-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@@H](C)O1 ZINC000446074916 458141309 /nfs/dbraw/zinc/14/13/09/458141309.db2.gz ZUWSDRNCDIBLTF-FRRDWIJNSA-N 0 0 331.372 3.248 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412273267 458150862 /nfs/dbraw/zinc/15/08/62/458150862.db2.gz GLFALMJSOZATSZ-YNEHKIRRSA-N 0 0 336.388 3.020 10 5 EGBERN Cc1cccc([C@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000376141458 458210653 /nfs/dbraw/zinc/21/06/53/458210653.db2.gz MTWSROLTQQWYSO-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436284169 458283232 /nfs/dbraw/zinc/28/32/32/458283232.db2.gz WURMEBWCTAMDIF-OAHLLOKOSA-N 0 0 345.443 3.460 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000436396140 458298401 /nfs/dbraw/zinc/29/84/01/458298401.db2.gz YRSLJJSRFPUTGE-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CO[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000447670834 458327858 /nfs/dbraw/zinc/32/78/58/458327858.db2.gz OBFALWGIQISNTB-OAHLLOKOSA-N 0 0 346.774 3.346 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430217521 458423315 /nfs/dbraw/zinc/42/33/15/458423315.db2.gz HWUQGUYNTAIWML-UHFFFAOYSA-N 0 0 346.358 3.309 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000430410754 458447471 /nfs/dbraw/zinc/44/74/71/458447471.db2.gz XMVHZMASQWHLAR-NXOUGTEYSA-N 0 0 340.379 3.269 10 5 EGBERN Cc1c(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000437436253 458453591 /nfs/dbraw/zinc/45/35/91/458453591.db2.gz ROUQGYSGFCCKJS-GFCCVEGCSA-N 0 0 340.383 3.397 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(C1)CCCOC2 ZINC000377189611 458485816 /nfs/dbraw/zinc/48/58/16/458485816.db2.gz CBJGTQZLXBURGP-UHFFFAOYSA-N 0 0 332.381 3.062 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000460962685 458542595 /nfs/dbraw/zinc/54/25/95/458542595.db2.gz LNWJVSVJORCMBO-HNNXBMFYSA-N 0 0 326.400 3.403 10 5 EGBERN COc1cc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207968 458583996 /nfs/dbraw/zinc/58/39/96/458583996.db2.gz XVSZSPUCQFMZNY-IAGOWNOFSA-N 0 0 332.331 3.036 10 5 EGBERN COc1cc(CN[C@@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207979 458584239 /nfs/dbraw/zinc/58/42/39/458584239.db2.gz XVSZSPUCQFMZNY-SJORKVTESA-N 0 0 332.331 3.036 10 5 EGBERN COc1ccc2c(c1)CCN(c1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000438898082 458628085 /nfs/dbraw/zinc/62/80/85/458628085.db2.gz XDRBFNLXIQRTQK-UHFFFAOYSA-N 0 0 346.358 3.356 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000439894978 458762546 /nfs/dbraw/zinc/76/25/46/458762546.db2.gz DSDZHPXILXINAU-QJPTWQEYSA-N 0 0 337.376 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432782783 458786562 /nfs/dbraw/zinc/78/65/62/458786562.db2.gz YYIVBFMNRZOYDO-UHFFFAOYSA-N 0 0 349.412 3.078 10 5 EGBERN CC(C)(NC(=O)c1cc(-c2ccoc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000530749517 458821411 /nfs/dbraw/zinc/82/14/11/458821411.db2.gz YHYMSJBYHLZFGQ-UHFFFAOYSA-N 0 0 340.339 3.243 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000457027825 458842430 /nfs/dbraw/zinc/84/24/30/458842430.db2.gz GMNABIGOWIWFGZ-LLVKDONJSA-N 0 0 326.780 3.137 10 5 EGBERN COc1ccc(CNC(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000465713091 458843854 /nfs/dbraw/zinc/84/38/54/458843854.db2.gz SLSIZTGBZVIRLT-UHFFFAOYSA-N 0 0 347.415 3.469 10 5 EGBERN CC[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000531627085 458948521 /nfs/dbraw/zinc/94/85/21/458948521.db2.gz VCYHHMKRIJXGGA-VIFPVBQESA-N 0 0 332.385 3.214 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441474563 458951212 /nfs/dbraw/zinc/95/12/12/458951212.db2.gz QXGWVZKKDJLWMU-JQWIXIFHSA-N 0 0 326.780 3.196 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC1CCN(c2ccccn2)CC1 ZINC000566880916 459015618 /nfs/dbraw/zinc/01/56/18/459015618.db2.gz GKPNYDYPDRHQHX-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN Nc1cc(NC[C@H](c2ccccc2)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000590061091 459075268 /nfs/dbraw/zinc/07/52/68/459075268.db2.gz KKNYMGBVFUNDJG-MRXNPFEDSA-N 0 0 327.384 3.275 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nc(CCCc2c(F)cccc2F)no1 ZINC000594530871 459080993 /nfs/dbraw/zinc/08/09/93/459080993.db2.gz KLFYSPUAWBLFTC-UHFFFAOYSA-N 0 0 348.309 3.437 10 5 EGBERN Cc1cc(N2C[C@H](O)CC(F)(F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590138902 459090966 /nfs/dbraw/zinc/09/09/66/459090966.db2.gz VMBMSVSJAMTUFA-MRVPVSSYSA-N 0 0 340.248 3.128 10 5 EGBERN COc1c(C)ncnc1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000594584948 459097487 /nfs/dbraw/zinc/09/74/87/459097487.db2.gz GBIAODQXUMPBMU-AWEZNQCLSA-N 0 0 328.372 3.086 10 5 EGBERN CCOC(=O)c1ccnc(NCc2cccc(C)c2OC)c1[N+](=O)[O-] ZINC000594596140 459103694 /nfs/dbraw/zinc/10/36/94/459103694.db2.gz NCFGDCRXCPGTOM-UHFFFAOYSA-N 0 0 345.355 3.096 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594600533 459105281 /nfs/dbraw/zinc/10/52/81/459105281.db2.gz LZAXQLGSUSJHSY-ZJUUUORDSA-N 0 0 336.314 3.032 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1F ZINC000590323190 459115236 /nfs/dbraw/zinc/11/52/36/459115236.db2.gz FSEZAEVJUIJOHF-PRHODGIISA-N 0 0 334.269 3.434 10 5 EGBERN Cc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000577967433 459124167 /nfs/dbraw/zinc/12/41/67/459124167.db2.gz JENYXSZPYTWFGV-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590401195 459125249 /nfs/dbraw/zinc/12/52/49/459125249.db2.gz IWEJEROURWBDTN-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590402448 459125302 /nfs/dbraw/zinc/12/53/02/459125302.db2.gz UHPUNVABJWICHO-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN CC(C)(C)[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594748081 459151142 /nfs/dbraw/zinc/15/11/42/459151142.db2.gz HZHHVKRDMWWWAS-CQSZACIVSA-N 0 0 349.412 3.056 10 5 EGBERN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000521439368 459153398 /nfs/dbraw/zinc/15/33/98/459153398.db2.gz GNEFDLYHCRMILK-GOSISDBHSA-N 0 0 343.358 3.366 10 5 EGBERN C[C@@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000479710439 459161164 /nfs/dbraw/zinc/16/11/64/459161164.db2.gz AAULMRGSWWANER-ACJLOTCBSA-N 0 0 349.431 3.286 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000590698427 459187431 /nfs/dbraw/zinc/18/74/31/459187431.db2.gz YUEYFOKORYRCOA-KCJUWKMLSA-N 0 0 334.269 3.434 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595449590 459305927 /nfs/dbraw/zinc/30/59/27/459305927.db2.gz ZTPKSIYCMYKCBL-MRXNPFEDSA-N 0 0 339.395 3.466 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(F)(F)C(C)(C)C ZINC000595464781 459312912 /nfs/dbraw/zinc/31/29/12/459312912.db2.gz DXVYEAOMNKXJDI-UHFFFAOYSA-N 0 0 345.346 3.084 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000595544192 459341265 /nfs/dbraw/zinc/34/12/65/459341265.db2.gz NDVPCYZMTOLVQO-IPYPFGDCSA-N 0 0 335.404 3.221 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544156 459341644 /nfs/dbraw/zinc/34/16/44/459341644.db2.gz MNTDWZMUANTTKM-XJKSGUPXSA-N 0 0 349.431 3.469 10 5 EGBERN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000540902227 459399964 /nfs/dbraw/zinc/39/99/64/459399964.db2.gz UDPUFVJGQVFXSQ-UHFFFAOYSA-N 0 0 344.367 3.007 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000595711600 459408939 /nfs/dbraw/zinc/40/89/39/459408939.db2.gz AIPJIGLGDILRSU-NXEZZACHSA-N 0 0 341.205 3.014 10 5 EGBERN COC(=O)c1cccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000541005854 459417727 /nfs/dbraw/zinc/41/77/27/459417727.db2.gz VYSRTBWTAZGKHK-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000595781935 459437321 /nfs/dbraw/zinc/43/73/21/459437321.db2.gz WSBGIHJCHXBRER-OLZOCXBDSA-N 0 0 331.372 3.249 10 5 EGBERN CC(C)(C(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000561288212 459439422 /nfs/dbraw/zinc/43/94/22/459439422.db2.gz YOOCVNNHZDDWEI-UHFFFAOYSA-N 0 0 330.306 3.331 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CC=CCC1 ZINC000541309926 459442213 /nfs/dbraw/zinc/44/22/13/459442213.db2.gz RARSDXJRONIFFO-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)n1 ZINC000485858076 459474266 /nfs/dbraw/zinc/47/42/66/459474266.db2.gz JDJACBLXTXHPRV-UHFFFAOYSA-N 0 0 327.344 3.343 10 5 EGBERN CNc1ccc(C(=O)N2CC=C(c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000541861211 459500134 /nfs/dbraw/zinc/50/01/34/459500134.db2.gz JJYYMAAWMRZOGR-UHFFFAOYSA-N 0 0 337.379 3.484 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000591971232 459501324 /nfs/dbraw/zinc/50/13/24/459501324.db2.gz WWRJAILEVFWQBY-OKILXGFUSA-N 0 0 335.404 3.049 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@@H](C)OC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591972902 459502033 /nfs/dbraw/zinc/50/20/33/459502033.db2.gz BNDBHWQYUIFXMS-CZUORRHYSA-N 0 0 347.415 3.399 10 5 EGBERN O=C(c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000596059932 459504748 /nfs/dbraw/zinc/50/47/48/459504748.db2.gz DFVWCWMQQJOVED-UHFFFAOYSA-N 0 0 331.397 3.373 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000591986306 459505569 /nfs/dbraw/zinc/50/55/69/459505569.db2.gz DCJGDFVDFJZYMX-TXEJJXNPSA-N 0 0 333.388 3.238 10 5 EGBERN COC(=O)c1cc(N2CC3(C[C@@H]2C)CCOCC3)cc(C)c1[N+](=O)[O-] ZINC000591993283 459507144 /nfs/dbraw/zinc/50/71/44/459507144.db2.gz UZEWYXUFMYYUKY-ZDUSSCGKSA-N 0 0 348.399 3.085 10 5 EGBERN COc1cc(N(C)Cc2nccn2C(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596074289 459510146 /nfs/dbraw/zinc/51/01/46/459510146.db2.gz DWSOGBSBYIVKDM-UHFFFAOYSA-N 0 0 346.721 3.485 10 5 EGBERN COc1ccc(CNc2cc(C(F)(F)F)cc(C)n2)cc1[N+](=O)[O-] ZINC000596083071 459513428 /nfs/dbraw/zinc/51/34/28/459513428.db2.gz BLWMSFZLGZOMBM-UHFFFAOYSA-N 0 0 341.289 3.360 10 5 EGBERN CCCCC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000486689552 459514876 /nfs/dbraw/zinc/51/48/76/459514876.db2.gz IWQREQXJABTFJB-LLVKDONJSA-N 0 0 332.447 3.390 10 5 EGBERN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000542137918 459528552 /nfs/dbraw/zinc/52/85/52/459528552.db2.gz KCHFHXNINNIYSV-CXAGYDPISA-N 0 0 325.368 3.196 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(c3c(F)cccc3F)CC2)cs1 ZINC000592132726 459532216 /nfs/dbraw/zinc/53/22/16/459532216.db2.gz NFCMZQWPUPAMIV-UHFFFAOYSA-N 0 0 339.367 3.257 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cc1C ZINC000542239698 459537110 /nfs/dbraw/zinc/53/71/10/459537110.db2.gz CQEXZQBRZWRFQU-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000596156039 459541288 /nfs/dbraw/zinc/54/12/88/459541288.db2.gz ZTRLIWXEQZGZFR-DINDLPBHSA-N 0 0 341.367 3.059 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596160607 459543971 /nfs/dbraw/zinc/54/39/71/459543971.db2.gz QXNWXHXZRUJADG-UWVGGRQHSA-N 0 0 342.779 3.262 10 5 EGBERN COc1cc(NCC2([C@H](O)C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596186638 459553429 /nfs/dbraw/zinc/55/34/29/459553429.db2.gz TVBIALHOTJICIK-CQSZACIVSA-N 0 0 328.796 3.466 10 5 EGBERN Cc1c(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]c1C(C)C ZINC000592235744 459557033 /nfs/dbraw/zinc/55/70/33/459557033.db2.gz RYZOLUFXXHWQBS-UHFFFAOYSA-N 0 0 331.376 3.432 10 5 EGBERN Cc1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000562413505 459558037 /nfs/dbraw/zinc/55/80/37/459558037.db2.gz FZTASYAUUTYKLJ-JTQLQIEISA-N 0 0 326.356 3.313 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000596209470 459560317 /nfs/dbraw/zinc/56/03/17/459560317.db2.gz FIHHTTOWQWJSOS-VIFPVBQESA-N 0 0 344.820 3.367 10 5 EGBERN COC(=O)c1c(Cl)c(NCCc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000596222661 459565726 /nfs/dbraw/zinc/56/57/26/459565726.db2.gz LQZMBBUMWILANC-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN CC(=O)N1CC[C@@H](CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000596233787 459568894 /nfs/dbraw/zinc/56/88/94/459568894.db2.gz FKKJWLQYRGAOKI-NSHDSACASA-N 0 0 345.321 3.202 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)F)nc1OCc1ccccc1 ZINC000596246618 459573271 /nfs/dbraw/zinc/57/32/71/459573271.db2.gz FINYTZYGRWRGES-LBPRGKRZSA-N 0 0 335.310 3.413 10 5 EGBERN COc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596255781 459575719 /nfs/dbraw/zinc/57/57/19/459575719.db2.gz UMYXTQJFGGDOKE-LLVKDONJSA-N 0 0 339.823 3.177 10 5 EGBERN CSc1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC000592360448 459579968 /nfs/dbraw/zinc/57/99/68/459579968.db2.gz GIEIWHWNIVIEKE-UHFFFAOYSA-N 0 0 330.409 3.406 10 5 EGBERN CC(C)C1(c2ccccc2)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596273992 459581295 /nfs/dbraw/zinc/58/12/95/459581295.db2.gz MYOJTHMYPBBMJD-UHFFFAOYSA-N 0 0 339.395 3.108 10 5 EGBERN CCN(CCSC)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288885 459585856 /nfs/dbraw/zinc/58/58/56/459585856.db2.gz IYMABUSLTBQIQT-UHFFFAOYSA-N 0 0 332.809 3.224 10 5 EGBERN CCCc1cc(OC)c(OCc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000596305075 459589810 /nfs/dbraw/zinc/58/98/10/459589810.db2.gz RIBGDFDAALVMJW-UHFFFAOYSA-N 0 0 336.344 3.440 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCc2ccccc21 ZINC000596359244 459607427 /nfs/dbraw/zinc/60/74/27/459607427.db2.gz FARKJQGDINHSPG-UHFFFAOYSA-N 0 0 339.395 3.034 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596359274 459607757 /nfs/dbraw/zinc/60/77/57/459607757.db2.gz FXPLHWOTLBAYTK-IOASZLSFSA-N 0 0 345.399 3.121 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596366154 459609550 /nfs/dbraw/zinc/60/95/50/459609550.db2.gz AWHRIKZBUOXVCB-JGGQBBKZSA-N 0 0 345.399 3.121 10 5 EGBERN COC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000596437854 459635943 /nfs/dbraw/zinc/63/59/43/459635943.db2.gz YIRLBIGRKXXWMD-HNNXBMFYSA-N 0 0 331.372 3.415 10 5 EGBERN COCC1(C2CCC2)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000596440390 459636654 /nfs/dbraw/zinc/63/66/54/459636654.db2.gz JIMCOJWWHBJTDI-UHFFFAOYSA-N 0 0 345.321 3.262 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000596450567 459641017 /nfs/dbraw/zinc/64/10/17/459641017.db2.gz YPGNSVYYDWPHSI-UHFFFAOYSA-N 0 0 335.404 3.328 10 5 EGBERN CC[C@@H](NC(=O)N1CC2(CCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596451804 459641808 /nfs/dbraw/zinc/64/18/08/459641808.db2.gz BSNAOHYWOPOODL-XJKSGUPXSA-N 0 0 347.415 3.399 10 5 EGBERN Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596469425 459647239 /nfs/dbraw/zinc/64/72/39/459647239.db2.gz LXUONNZEYUBEQQ-MSRIBSCDSA-N 0 0 343.221 3.119 10 5 EGBERN Nc1cc(NC2CCC3(CC3(F)F)CC2)cc(CO)c1[N+](=O)[O-] ZINC000596500674 459658057 /nfs/dbraw/zinc/65/80/57/459658057.db2.gz DWSWELXFIHIRTF-UHFFFAOYSA-N 0 0 327.331 3.049 10 5 EGBERN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CC(F)F ZINC000592673796 459662126 /nfs/dbraw/zinc/66/21/26/459662126.db2.gz YPVCMZLXLJJYSD-SECBINFHSA-N 0 0 325.315 3.026 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@@H]1C1CCC1 ZINC000592733721 459679058 /nfs/dbraw/zinc/67/90/58/459679058.db2.gz BGEAVFKPHQHEJU-CYBMUJFWSA-N 0 0 332.356 3.118 10 5 EGBERN CCN(CCSC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000592736901 459679362 /nfs/dbraw/zinc/67/93/62/459679362.db2.gz LMUGNDDSCAWPBI-UHFFFAOYSA-N 0 0 334.344 3.021 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752552 459684084 /nfs/dbraw/zinc/68/40/84/459684084.db2.gz OQTOBLXVLFPMMP-STQMWFEESA-N 0 0 330.388 3.182 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770755 459687381 /nfs/dbraw/zinc/68/73/81/459687381.db2.gz CNLLZZVHWKNLHN-KGLIPLIRSA-N 0 0 344.415 3.491 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](OC)C3CCCC3)n2)c1 ZINC000596592704 459688901 /nfs/dbraw/zinc/68/89/01/459688901.db2.gz NTDPASVDFSBPHN-INIZCTEOSA-N 0 0 347.371 3.455 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573520037 459690454 /nfs/dbraw/zinc/69/04/54/459690454.db2.gz OCEGKRBAGVDQPT-MLGOLLRUSA-N 0 0 344.415 3.497 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000592852000 459703181 /nfs/dbraw/zinc/70/31/81/459703181.db2.gz DOWGDLYHKGDAMS-KRWDZBQOSA-N 0 0 338.404 3.053 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000596639597 459710331 /nfs/dbraw/zinc/71/03/31/459710331.db2.gz WVUGHDCWEIVHHB-UHFFFAOYSA-N 0 0 330.344 3.303 10 5 EGBERN Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n[nH]c1C(C)C ZINC000592949816 459722884 /nfs/dbraw/zinc/72/28/84/459722884.db2.gz NKZZBVFYQFKINP-UHFFFAOYSA-N 0 0 332.360 3.076 10 5 EGBERN Cc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]c1C(C)C ZINC000592950382 459723084 /nfs/dbraw/zinc/72/30/84/459723084.db2.gz UKBBWWUQGVSXHM-UHFFFAOYSA-N 0 0 341.371 3.412 10 5 EGBERN CSc1cccc(C(=O)N=c2[nH][nH]c(C(C)C)c2C)c1[N+](=O)[O-] ZINC000592950133 459723344 /nfs/dbraw/zinc/72/33/44/459723344.db2.gz PTYLDWQEECWHDT-UHFFFAOYSA-N 0 0 334.401 3.146 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000593023899 459743809 /nfs/dbraw/zinc/74/38/09/459743809.db2.gz GFAQFVFIVCLFFO-LBPRGKRZSA-N 0 0 346.387 3.010 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCn2c(CC3CC3)nnc2C1 ZINC000593053962 459757383 /nfs/dbraw/zinc/75/73/83/459757383.db2.gz PDQXBFYWDLOFFG-CYBMUJFWSA-N 0 0 341.415 3.024 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000596823041 459771247 /nfs/dbraw/zinc/77/12/47/459771247.db2.gz NLCVXWQEDRORBZ-CJNGLKHVSA-N 0 0 347.415 3.226 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593123622 459780339 /nfs/dbraw/zinc/78/03/39/459780339.db2.gz PPVSMBKEBIIOKE-CQSZACIVSA-N 0 0 326.368 3.286 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000596867956 459782984 /nfs/dbraw/zinc/78/29/84/459782984.db2.gz UNXRJHVRKYFNSW-HNNXBMFYSA-N 0 0 343.330 3.100 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000593150165 459789758 /nfs/dbraw/zinc/78/97/58/459789758.db2.gz KOIZPNSGKPTJJE-SFHVURJKSA-N 0 0 346.333 3.374 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000596912586 459793912 /nfs/dbraw/zinc/79/39/12/459793912.db2.gz JYMXUVGQSXLGII-YVEFUNNKSA-N 0 0 343.383 3.401 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593182654 459799511 /nfs/dbraw/zinc/79/95/11/459799511.db2.gz ZDTYOUYEEBGSOJ-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593188874 459800895 /nfs/dbraw/zinc/80/08/95/459800895.db2.gz DQNLXQOBTGQAJC-CQSZACIVSA-N 0 0 325.315 3.475 10 5 EGBERN CS(=O)(=O)c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000566148570 459814759 /nfs/dbraw/zinc/81/47/59/459814759.db2.gz DQIGDLIIWBRTBA-UHFFFAOYSA-N 0 0 348.380 3.064 10 5 EGBERN CC[C@H](OCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593253103 459820945 /nfs/dbraw/zinc/82/09/45/459820945.db2.gz PNLFIKHHNZEKRJ-KRWDZBQOSA-N 0 0 328.368 3.493 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593278806 459827368 /nfs/dbraw/zinc/82/73/68/459827368.db2.gz AGQPYXJXEYBBPZ-HNNXBMFYSA-N 0 0 338.791 3.183 10 5 EGBERN C[C@H](C(=O)N[C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593279983 459828222 /nfs/dbraw/zinc/82/82/22/459828222.db2.gz OTJHEWVDOQXXDY-SJCJKPOMSA-N 0 0 332.400 3.020 10 5 EGBERN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593294256 459831842 /nfs/dbraw/zinc/83/18/42/459831842.db2.gz IUMJIYHHTPIDDM-TZMCWYRMSA-N 0 0 338.429 3.103 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1F ZINC000597101601 459837008 /nfs/dbraw/zinc/83/70/08/459837008.db2.gz SGTBJGGDFLRSIU-VXNVDRBHSA-N 0 0 330.747 3.042 10 5 EGBERN C[C@@H]1SCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C ZINC000597103968 459837351 /nfs/dbraw/zinc/83/73/51/459837351.db2.gz NWOGNSIZZGKECC-YUMQZZPRSA-N 0 0 344.824 3.188 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593314012 459838084 /nfs/dbraw/zinc/83/80/84/459838084.db2.gz DNCIKCICRWMCRM-QMTHXVAHSA-N 0 0 325.315 3.097 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000593319705 459840343 /nfs/dbraw/zinc/84/03/43/459840343.db2.gz OQHWDMBVYZLZPU-GDBMZVCRSA-N 0 0 346.427 3.334 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)OCC12CCC2 ZINC000593319717 459840519 /nfs/dbraw/zinc/84/05/19/459840519.db2.gz OQHWDMBVYZLZPU-GOEBONIOSA-N 0 0 346.427 3.334 10 5 EGBERN COc1cc(C(=O)N2CCc3ccccc3[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000593325048 459843289 /nfs/dbraw/zinc/84/32/89/459843289.db2.gz APTHPUWELDDSIC-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598298208 459852768 /nfs/dbraw/zinc/85/27/68/459852768.db2.gz ZIPIIITXVDRCBR-CVEARBPZSA-N 0 0 346.427 3.380 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593355506 459860333 /nfs/dbraw/zinc/86/03/33/459860333.db2.gz ZIFXGQQMIJWOIH-LLVKDONJSA-N 0 0 343.358 3.239 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598315154 459862049 /nfs/dbraw/zinc/86/20/49/459862049.db2.gz ZSPGJIIRSCHMOJ-CABCVRRESA-N 0 0 332.400 3.451 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598340994 459871404 /nfs/dbraw/zinc/87/14/04/459871404.db2.gz NHMLMOIOGONDHY-GFCCVEGCSA-N 0 0 328.315 3.015 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000598354101 459877156 /nfs/dbraw/zinc/87/71/56/459877156.db2.gz VSLRRXAWMGNFKO-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000602319574 459893665 /nfs/dbraw/zinc/89/36/65/459893665.db2.gz FZBRVLTUAPXQML-CVEARBPZSA-N 0 0 325.368 3.392 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC1CCN(CC(F)F)CC1 ZINC000593457216 459894028 /nfs/dbraw/zinc/89/40/28/459894028.db2.gz JYPCUWLVFZQFRC-UHFFFAOYSA-N 0 0 336.342 3.284 10 5 EGBERN CC(C)(CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC000587862133 459894860 /nfs/dbraw/zinc/89/48/60/459894860.db2.gz LRDPYRPQXOTPPF-UHFFFAOYSA-N 0 0 333.363 3.198 10 5 EGBERN C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000593463655 459896653 /nfs/dbraw/zinc/89/66/53/459896653.db2.gz BHVYZOCXFDOIIR-SCLBCKFNSA-N 0 0 337.383 3.427 10 5 EGBERN O=c1[nH]c(N2CCCc3sccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000587972856 459897385 /nfs/dbraw/zinc/89/73/85/459897385.db2.gz FPAQVOZPEQPAIN-UHFFFAOYSA-N 0 0 342.380 3.258 10 5 EGBERN C[C@H]1Cc2ccccc2N1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000608972703 459897659 /nfs/dbraw/zinc/89/76/59/459897659.db2.gz KUNDFTMSNILCDY-AWEZNQCLSA-N 0 0 338.411 3.410 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000587985494 459898350 /nfs/dbraw/zinc/89/83/50/459898350.db2.gz KQENEGUFDCNQNZ-RDTXWAMCSA-N 0 0 341.367 3.227 10 5 EGBERN CC1(c2ccccc2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588005896 459902135 /nfs/dbraw/zinc/90/21/35/459902135.db2.gz ZIWNJHRWLADKLC-UHFFFAOYSA-N 0 0 341.411 3.227 10 5 EGBERN COc1ccc(C2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)nc1 ZINC000593481586 459902894 /nfs/dbraw/zinc/90/28/94/459902894.db2.gz RELYTCRQHFFBNM-UHFFFAOYSA-N 0 0 343.383 3.391 10 5 EGBERN CCCCC[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598459801 459903211 /nfs/dbraw/zinc/90/32/11/459903211.db2.gz HZVWZVCWHFCOHB-OAHLLOKOSA-N 0 0 336.436 3.451 10 5 EGBERN Cc1cccc(OCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1C ZINC000588035520 459904951 /nfs/dbraw/zinc/90/49/51/459904951.db2.gz OUFBXYIPBHCOEA-UHFFFAOYSA-N 0 0 345.399 3.167 10 5 EGBERN Cc1c(Br)c(N2CC3(C2)CC(F)(F)C3)ncc1[N+](=O)[O-] ZINC000588040650 459905396 /nfs/dbraw/zinc/90/53/96/459905396.db2.gz ISTDCEQPWADHQC-UHFFFAOYSA-N 0 0 348.147 3.296 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C(F)(F)C3(F)F)n1 ZINC000593489750 459905509 /nfs/dbraw/zinc/90/55/09/459905509.db2.gz HRQURFSCEDUXNB-UHFFFAOYSA-N 0 0 333.285 3.477 10 5 EGBERN Cc1ccc([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c(C)c1 ZINC000588037526 459905517 /nfs/dbraw/zinc/90/55/17/459905517.db2.gz NWMOBYMTUFPURC-CQSZACIVSA-N 0 0 341.411 3.280 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598471558 459907390 /nfs/dbraw/zinc/90/73/90/459907390.db2.gz VDYKVCWDKJLUTJ-OAHLLOKOSA-N 0 0 340.379 3.162 10 5 EGBERN C[C@H]1c2ccccc2OCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000609145474 459911640 /nfs/dbraw/zinc/91/16/40/459911640.db2.gz FOSDEXJEBDXPHF-AWEZNQCLSA-N 0 0 328.368 3.429 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593520961 459914046 /nfs/dbraw/zinc/91/40/46/459914046.db2.gz QSQMBCDTQCNVNB-GFCCVEGCSA-N 0 0 333.775 3.436 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(CNc3ccccc32)C1 ZINC000618166219 459914470 /nfs/dbraw/zinc/91/44/70/459914470.db2.gz DMJFEWZYZGGYSL-MRXNPFEDSA-N 0 0 330.775 3.217 10 5 EGBERN Cc1cc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000598496382 459918450 /nfs/dbraw/zinc/91/84/50/459918450.db2.gz GKEHMPLKOLQRHP-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1cc(Cc2noc(C(=O)c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000546493635 459924563 /nfs/dbraw/zinc/92/45/63/459924563.db2.gz OISPUBKWFFWJOD-UHFFFAOYSA-N 0 0 341.298 3.247 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000597423008 459948308 /nfs/dbraw/zinc/94/83/08/459948308.db2.gz XFSKIAKXXSULSL-AWEZNQCLSA-N 0 0 342.399 3.242 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(C)cc2SC)c1[N+](=O)[O-] ZINC000598612727 459962961 /nfs/dbraw/zinc/96/29/61/459962961.db2.gz RYMVEXANNBSTAR-UHFFFAOYSA-N 0 0 347.396 3.419 10 5 EGBERN COC(=O)c1ccnc(NCc2cnccc2C(C)(C)C)c1[N+](=O)[O-] ZINC000598629359 459968310 /nfs/dbraw/zinc/96/83/10/459968310.db2.gz IQQZAKXKURGZPC-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609503359 459971476 /nfs/dbraw/zinc/97/14/76/459971476.db2.gz MKRZIRJRCZHMDW-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC12CCCC2 ZINC000593762505 459977937 /nfs/dbraw/zinc/97/79/37/459977937.db2.gz WZOGSJQDAXXWCG-UHFFFAOYSA-N 0 0 341.367 3.067 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000588756985 459979325 /nfs/dbraw/zinc/97/93/25/459979325.db2.gz LIJKYVIKUYQJHV-CQSZACIVSA-N 0 0 339.342 3.457 10 5 EGBERN Cc1cccc(COCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000598666185 459984156 /nfs/dbraw/zinc/98/41/56/459984156.db2.gz VKAIILALMUZTPV-AWEZNQCLSA-N 0 0 328.368 3.297 10 5 EGBERN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000593784364 459985453 /nfs/dbraw/zinc/98/54/53/459985453.db2.gz OLGGUYBHNUQZRM-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000609577757 459986091 /nfs/dbraw/zinc/98/60/91/459986091.db2.gz SYRIKUBSULSEJI-LBPRGKRZSA-N 0 0 343.383 3.006 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC2(C1)CCCCC2 ZINC000597569726 459997253 /nfs/dbraw/zinc/99/72/53/459997253.db2.gz CCNNBJSBGAXZRJ-UHFFFAOYSA-N 0 0 342.399 3.448 10 5 EGBERN CC1=CC[C@](C)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000597571763 459998369 /nfs/dbraw/zinc/99/83/69/459998369.db2.gz UPTYSSXIEZEDKQ-KRWDZBQOSA-N 0 0 328.372 3.224 10 5 EGBERN CNc1ccc(C(=O)N2CCOc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC000593835757 460000735 /nfs/dbraw/zinc/00/07/35/460000735.db2.gz TYHYSBJWGFKMCH-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000588937549 460008218 /nfs/dbraw/zinc/00/82/18/460008218.db2.gz APPUXNSILXIHOG-LLVKDONJSA-N 0 0 327.340 3.132 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597685347 460027214 /nfs/dbraw/zinc/02/72/14/460027214.db2.gz VNTPVSDAVAFZCT-LLVKDONJSA-N 0 0 331.372 3.435 10 5 EGBERN O=C(Nc1c(O)cccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609851247 460029165 /nfs/dbraw/zinc/02/91/65/460029165.db2.gz YVYPVIRNUOYGMW-UHFFFAOYSA-N 0 0 345.330 3.292 10 5 EGBERN CCc1ccccc1Cc1noc(-c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000589149055 460038829 /nfs/dbraw/zinc/03/88/29/460038829.db2.gz QUHPWEGLYBPVCN-UHFFFAOYSA-N 0 0 327.344 3.014 10 5 EGBERN CC(C)[C@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000610051251 460054899 /nfs/dbraw/zinc/05/48/99/460054899.db2.gz DQUTUEPGLVEYGD-GFCCVEGCSA-N 0 0 330.388 3.017 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C1CCCCC1 ZINC000610190781 460077835 /nfs/dbraw/zinc/07/78/35/460077835.db2.gz FKYKDFDTJCZXGN-CABCVRRESA-N 0 0 332.400 3.449 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000598881927 460083046 /nfs/dbraw/zinc/08/30/46/460083046.db2.gz IDFCXHGAFVOFPL-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN C[C@H](C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594068322 460084593 /nfs/dbraw/zinc/08/45/93/460084593.db2.gz GBQMVEVKZHOEGX-AFAVFJNCSA-N 0 0 332.400 3.162 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594072005 460087191 /nfs/dbraw/zinc/08/71/91/460087191.db2.gz MUHIJUUWEBZKCN-DLBZAZTESA-N 0 0 347.415 3.104 10 5 EGBERN Cc1cc(C(=O)N2CCc3nc(C(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000598938258 460095450 /nfs/dbraw/zinc/09/54/50/460095450.db2.gz XXFPLGRZOICCAJ-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc3ccn(C)c3c2)c1 ZINC000589513515 460097576 /nfs/dbraw/zinc/09/75/76/460097576.db2.gz BCUFVPWBVYJPCO-UHFFFAOYSA-N 0 0 339.351 3.485 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCc3nccc(Br)c3C2)cc1 ZINC000598945974 460097597 /nfs/dbraw/zinc/09/75/97/460097597.db2.gz MPXQUNPXTNKKSM-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN Cc1cc(C)cc(C[C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000589580557 460104665 /nfs/dbraw/zinc/10/46/65/460104665.db2.gz WRGGYQAJSWJFBL-ZDUSSCGKSA-N 0 0 329.400 3.329 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000598966403 460108461 /nfs/dbraw/zinc/10/84/61/460108461.db2.gz CVEBSYNRHDZIMD-UONOGXRCSA-N 0 0 347.396 3.020 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597919603 460110780 /nfs/dbraw/zinc/11/07/80/460110780.db2.gz OSCWEHRWZSGIKI-CYBMUJFWSA-N 0 0 331.372 3.011 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597921328 460113011 /nfs/dbraw/zinc/11/30/11/460113011.db2.gz XQBMCXIZENHLCM-WCQYABFASA-N 0 0 338.379 3.159 10 5 EGBERN CCCOc1cncc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000598995351 460121288 /nfs/dbraw/zinc/12/12/88/460121288.db2.gz ROUJVAZSJNWJMI-UHFFFAOYSA-N 0 0 345.355 3.162 10 5 EGBERN O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])NC1CCCCC1 ZINC000599036432 460135448 /nfs/dbraw/zinc/13/54/48/460135448.db2.gz RFPUWFVVLASUHH-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164250 460135549 /nfs/dbraw/zinc/13/55/49/460135549.db2.gz HNXQPKRLYBTGTQ-CMPLNLGQSA-N 0 0 346.305 3.133 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594184594 460139911 /nfs/dbraw/zinc/13/99/11/460139911.db2.gz ZVZWHDFOASHJND-ZFWWWQNUSA-N 0 0 336.388 3.071 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594204531 460149269 /nfs/dbraw/zinc/14/92/69/460149269.db2.gz RBBABKIHNNDGQO-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC(F)(c4ccccc4F)C3)c21 ZINC000589872880 460155386 /nfs/dbraw/zinc/15/53/86/460155386.db2.gz IKEYFMIZPWATHJ-UHFFFAOYSA-N 0 0 342.305 3.362 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NC2CC(N3CCOCC3)C2)c(Cl)c1 ZINC000599093947 460159280 /nfs/dbraw/zinc/15/92/80/460159280.db2.gz CAJZXTUOGSCHGG-UHFFFAOYSA-N 0 0 346.214 3.177 10 5 EGBERN CC(C)c1ccc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000598068515 460159569 /nfs/dbraw/zinc/15/95/69/460159569.db2.gz ZJYYDCLTTLZJQS-HDICACEKSA-N 0 0 332.400 3.217 10 5 EGBERN CC(=O)c1cc(NC[C@@]2(C)COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000599118339 460166154 /nfs/dbraw/zinc/16/61/54/460166154.db2.gz UUMVRYFKOSERKP-SFHVURJKSA-N 0 0 342.351 3.439 10 5 EGBERN C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C(F)(F)F ZINC000599130164 460168608 /nfs/dbraw/zinc/16/86/08/460168608.db2.gz PYEAEIVLLLQHJY-VIFPVBQESA-N 0 0 344.293 3.373 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599139218 460172759 /nfs/dbraw/zinc/17/27/59/460172759.db2.gz MSIDXGJJEOLUPD-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(OCCO)CCC(F)(F)CC2)s1 ZINC000599139236 460172956 /nfs/dbraw/zinc/17/29/56/460172956.db2.gz NMLQEKBBLOQCGL-UHFFFAOYSA-N 0 0 336.360 3.025 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1 ZINC000598100853 460174159 /nfs/dbraw/zinc/17/41/59/460174159.db2.gz JYCSYMHUWFCUGX-MEDUHNTESA-N 0 0 326.352 3.062 10 5 EGBERN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610525837 460175732 /nfs/dbraw/zinc/17/57/32/460175732.db2.gz AJLPIZWKSSKUNJ-LBPRGKRZSA-N 0 0 331.397 3.002 10 5 EGBERN CCO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000599147946 460176474 /nfs/dbraw/zinc/17/64/74/460176474.db2.gz VANPGNOBUUJDKO-YGRLFVJLSA-N 0 0 328.752 3.014 10 5 EGBERN COc1cc(NC[C@@H]2c3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1C ZINC000599164821 460183109 /nfs/dbraw/zinc/18/31/09/460183109.db2.gz OURXFBWVHJSPDR-MRXNPFEDSA-N 0 0 341.367 3.151 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598140878 460187248 /nfs/dbraw/zinc/18/72/48/460187248.db2.gz YBUHPORXUXGYJP-MRXNPFEDSA-N 0 0 342.351 3.182 10 5 EGBERN CCc1ccc(-c2nc([C@@H](C)c3cnccn3)no2)cc1[N+](=O)[O-] ZINC000599193988 460194957 /nfs/dbraw/zinc/19/49/57/460194957.db2.gz IEHLXBZZXMTITH-JTQLQIEISA-N 0 0 325.328 3.149 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594402100 460207468 /nfs/dbraw/zinc/20/74/68/460207468.db2.gz QIZGPZWNSMEZBR-UMSPYCQHSA-N 0 0 331.372 3.152 10 5 EGBERN CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594411061 460210733 /nfs/dbraw/zinc/21/07/33/460210733.db2.gz ODKWFRSUVRONAB-IRXDYDNUSA-N 0 0 349.431 3.251 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000598226298 460212624 /nfs/dbraw/zinc/21/26/24/460212624.db2.gz DFECBJBSYPMKGA-UGSOOPFHSA-N 0 0 332.400 3.001 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(=O)[O-] ZINC000576822955 460220083 /nfs/dbraw/zinc/22/00/83/460220083.db2.gz KOPBSJIZGRLZOO-MLGOLLRUSA-N 0 0 344.367 3.397 10 5 EGBERN CCOc1ccc(C(=O)N2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610744834 460229834 /nfs/dbraw/zinc/22/98/34/460229834.db2.gz JLXYZYBAOZWNFK-UHFFFAOYSA-N 0 0 332.278 3.018 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)(F)F)C1 ZINC000610744923 460230055 /nfs/dbraw/zinc/23/00/55/460230055.db2.gz LBSOFUCSSCCWMM-SECBINFHSA-N 0 0 348.346 3.486 10 5 EGBERN Cc1nc(N[C@@H](Cc2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610755249 460231951 /nfs/dbraw/zinc/23/19/51/460231951.db2.gz HAHCRISWWASPQN-HNNXBMFYSA-N 0 0 337.383 3.428 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599520734 460266686 /nfs/dbraw/zinc/26/66/86/460266686.db2.gz BARWDKARZDCPOH-BAABZTOOSA-N 0 0 338.429 3.103 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000610962017 460266868 /nfs/dbraw/zinc/26/68/68/460266868.db2.gz YUWNVCMWJSZARE-UHFFFAOYSA-N 0 0 347.281 3.295 10 5 EGBERN COC(=O)[C@]1(NCc2csc([N+](=O)[O-])c2)CCCC(C)(C)C1 ZINC000599560862 460276455 /nfs/dbraw/zinc/27/64/55/460276455.db2.gz IGHQBVMRDRNBTB-HNNXBMFYSA-N 0 0 326.418 3.258 10 5 EGBERN COC(=O)[C@@](C)(NCc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599644707 460296950 /nfs/dbraw/zinc/29/69/50/460296950.db2.gz WMHRIDQYRYRILP-IBGZPJMESA-N 0 0 342.395 3.390 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C(F)F)C1 ZINC000611180214 460302117 /nfs/dbraw/zinc/30/21/17/460302117.db2.gz UTDIJBOHSLJOTJ-DTWKUNHWSA-N 0 0 347.749 3.162 10 5 EGBERN Cc1ccccc1C[C@@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599743424 460325735 /nfs/dbraw/zinc/32/57/35/460325735.db2.gz NZIAAEQLSHBGKN-CQSZACIVSA-N 0 0 339.395 3.062 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000599781070 460332862 /nfs/dbraw/zinc/33/28/62/460332862.db2.gz WCGJISXWVJUEQN-INIZCTEOSA-N 0 0 341.367 3.166 10 5 EGBERN CC[C@@H](C)[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829078 460343247 /nfs/dbraw/zinc/34/32/47/460343247.db2.gz CTFKBIMZBJAUMT-PIGZYNQJSA-N 0 0 346.387 3.062 10 5 EGBERN O=C(NCC[C@@H]1CCCCO1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832849 460344180 /nfs/dbraw/zinc/34/41/80/460344180.db2.gz LIKIEWSBLBNXHI-LBPRGKRZSA-N 0 0 344.371 3.224 10 5 EGBERN CCC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837459 460345683 /nfs/dbraw/zinc/34/56/83/460345683.db2.gz FPAZLUCEBAMTHB-LLVKDONJSA-N 0 0 332.360 3.080 10 5 EGBERN CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599841241 460346872 /nfs/dbraw/zinc/34/68/72/460346872.db2.gz WKIXHCHGKNFSMP-BZNIZROVSA-N 0 0 344.371 3.032 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000611371664 460347153 /nfs/dbraw/zinc/34/71/53/460347153.db2.gz XMKDSFTUAOVPSM-MEDUHNTESA-N 0 0 332.331 3.299 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000619422124 460351775 /nfs/dbraw/zinc/35/17/75/460351775.db2.gz YFQXHSZOOWDDNP-UHFFFAOYSA-N 0 0 337.120 3.131 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599877261 460352757 /nfs/dbraw/zinc/35/27/57/460352757.db2.gz YNLZVMSLOKNQGK-SECBINFHSA-N 0 0 339.189 3.396 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cncc(F)c2)c1 ZINC000611485126 460374933 /nfs/dbraw/zinc/37/49/33/460374933.db2.gz CDWHRGNAZRQCKP-VIFPVBQESA-N 0 0 335.360 3.342 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1F ZINC000611505299 460380716 /nfs/dbraw/zinc/38/07/16/460380716.db2.gz BGJKAWRFILUOHG-PELKAZGASA-N 0 0 345.168 3.177 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611507239 460381255 /nfs/dbraw/zinc/38/12/55/460381255.db2.gz ZELPTHZXINAVPP-KWQFWETISA-N 0 0 334.269 3.434 10 5 EGBERN CCOC(=O)c1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000600123071 460391425 /nfs/dbraw/zinc/39/14/25/460391425.db2.gz ITXSUHRZNHBALY-LBPRGKRZSA-N 0 0 329.356 3.017 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619588816 460392134 /nfs/dbraw/zinc/39/21/34/460392134.db2.gz CSRWFBDMXPHTEE-MRXNPFEDSA-N 0 0 338.371 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000600145309 460404552 /nfs/dbraw/zinc/40/45/52/460404552.db2.gz AJJBYPIWUXOSHR-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611573595 460405406 /nfs/dbraw/zinc/40/54/06/460405406.db2.gz RHWXJWJJCSVIRF-ZDUSSCGKSA-N 0 0 342.342 3.103 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](O)CC(F)(F)C3)o2)c1 ZINC000615849300 460407287 /nfs/dbraw/zinc/40/72/87/460407287.db2.gz HAVJJAXBLPQBHC-CYBMUJFWSA-N 0 0 338.310 3.057 10 5 EGBERN CC[C@H](NC(=O)N1CC(C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000619733727 460424934 /nfs/dbraw/zinc/42/49/34/460424934.db2.gz BATNJXSKFVKITK-KRWDZBQOSA-N 0 0 347.415 3.114 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOc3ccccc3[C@H]2C)c1 ZINC000611748415 460448867 /nfs/dbraw/zinc/44/88/67/460448867.db2.gz VEPYNVSPNJMCGF-GFCCVEGCSA-N 0 0 342.351 3.341 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000600268964 460461116 /nfs/dbraw/zinc/46/11/16/460461116.db2.gz ZPTSJJLKLIHQIU-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN Cc1c(CC(=O)N[C@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000600300504 460466476 /nfs/dbraw/zinc/46/64/76/460466476.db2.gz DRJHZUVBNQIJKW-IBGZPJMESA-N 0 0 339.395 3.498 10 5 EGBERN C[C@@H](C(=O)N[C@@]1(CO)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600362276 460482061 /nfs/dbraw/zinc/48/20/61/460482061.db2.gz LYHSIOHMSVWCTM-ACJLOTCBSA-N 0 0 334.416 3.146 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000600367323 460484758 /nfs/dbraw/zinc/48/47/58/460484758.db2.gz SCEPRUFTZDHSHJ-UHFFFAOYSA-N 0 0 338.360 3.469 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600388063 460487526 /nfs/dbraw/zinc/48/75/26/460487526.db2.gz LQWOCDTZAQIORQ-UHFFFAOYSA-N 0 0 344.314 3.125 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000616174605 460490370 /nfs/dbraw/zinc/49/03/70/460490370.db2.gz GTBABHSKGFLGBQ-LLVKDONJSA-N 0 0 348.790 3.300 10 5 EGBERN Cc1cc(Cl)ccc1C1=CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000600423906 460492900 /nfs/dbraw/zinc/49/29/00/460492900.db2.gz HPVVEMLNWPUMRD-UHFFFAOYSA-N 0 0 346.774 3.209 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000600425647 460492956 /nfs/dbraw/zinc/49/29/56/460492956.db2.gz BLAAGXPFWMFBHA-UHFFFAOYSA-N 0 0 341.367 3.445 10 5 EGBERN O=C(Nc1cccc(C2CCOCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000600426375 460494381 /nfs/dbraw/zinc/49/43/81/460494381.db2.gz HILVSASBUOGYRG-UHFFFAOYSA-N 0 0 327.340 3.136 10 5 EGBERN Cn1c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)ccc1[N+](=O)[O-] ZINC000600475012 460500827 /nfs/dbraw/zinc/50/08/27/460500827.db2.gz DCLNJIMHJZTISU-AWEZNQCLSA-N 0 0 345.374 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCc1ccccn1 ZINC000600582130 460533694 /nfs/dbraw/zinc/53/36/94/460533694.db2.gz WMHIJDSQPIPWPA-LLVKDONJSA-N 0 0 347.396 3.259 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCSC(C)(C)CC1 ZINC000601155779 460734946 /nfs/dbraw/zinc/73/49/46/460734946.db2.gz FDTGEQKECIBSCL-UHFFFAOYSA-N 0 0 338.355 3.069 10 5 EGBERN Cc1cccc2c1CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC2 ZINC000601156209 460735078 /nfs/dbraw/zinc/73/50/78/460735078.db2.gz UEAUYCBHTNCZBQ-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)cc1F ZINC000601205099 460749645 /nfs/dbraw/zinc/74/96/45/460749645.db2.gz WNNPUONTHMVUSZ-LLVKDONJSA-N 0 0 335.310 3.271 10 5 EGBERN Cc1nc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000601208859 460750640 /nfs/dbraw/zinc/75/06/40/460750640.db2.gz OJGYEGIPFZWMOP-LBPRGKRZSA-N 0 0 341.289 3.463 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(Cc2nccs2)CC1 ZINC000601215932 460753867 /nfs/dbraw/zinc/75/38/67/460753867.db2.gz IZBMIVRGJDOWTF-UHFFFAOYSA-N 0 0 335.433 3.035 10 5 EGBERN CCOc1ccc(-c2nc(COCC(F)(F)F)no2)cc1[N+](=O)[O-] ZINC000612874037 460759767 /nfs/dbraw/zinc/75/97/67/460759767.db2.gz JJHGEPDDWUKCER-UHFFFAOYSA-N 0 0 347.249 3.122 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CNc3ccccc32)C1 ZINC000601245348 460763239 /nfs/dbraw/zinc/76/32/39/460763239.db2.gz GZGGCQCRCFJPKT-SFHVURJKSA-N 0 0 338.367 3.196 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601249352 460764801 /nfs/dbraw/zinc/76/48/01/460764801.db2.gz BRKUVGJTNDPQPI-DGCLKSJQSA-N 0 0 334.401 3.359 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)OCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000601281016 460774135 /nfs/dbraw/zinc/77/41/35/460774135.db2.gz KLUOSCLKRNGOQA-DYVFJYSZSA-N 0 0 343.383 3.162 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289932 460778465 /nfs/dbraw/zinc/77/84/65/460778465.db2.gz WSBMMDRWKOEARA-HZPDHXFCSA-N 0 0 326.400 3.340 10 5 EGBERN COC[C@H](CCNC(=O)c1cc2ccccc2c2cccnc12)OC ZINC000617233232 460781014 /nfs/dbraw/zinc/78/10/14/460781014.db2.gz QNPZHWCSOKUFNW-HNNXBMFYSA-N 0 0 338.407 3.169 10 5 EGBERN O=C(NC[C@@H](O)C1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601321970 460788741 /nfs/dbraw/zinc/78/87/41/460788741.db2.gz VTLSVQQGPQEFDW-QGZVFWFLSA-N 0 0 346.427 3.074 10 5 EGBERN COc1cncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000601353906 460793689 /nfs/dbraw/zinc/79/36/89/460793689.db2.gz IYJUMWNACQITEV-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NCC1([C@H]2CCCCO2)CCC1 ZINC000601554544 460831141 /nfs/dbraw/zinc/83/11/41/460831141.db2.gz FTSYRGXFWQUANZ-MRXNPFEDSA-N 0 0 347.415 3.133 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n1 ZINC000617371129 460834663 /nfs/dbraw/zinc/83/46/63/460834663.db2.gz PWHLGIKEWJAXPI-HNNXBMFYSA-N 0 0 328.372 3.035 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000601658194 460859046 /nfs/dbraw/zinc/85/90/46/460859046.db2.gz KPEQEXYQKVJGGU-OAHLLOKOSA-N 0 0 343.358 3.078 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601659893 460860241 /nfs/dbraw/zinc/86/02/41/460860241.db2.gz OQCSUYUOZIULLO-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000601659257 460860266 /nfs/dbraw/zinc/86/02/66/460860266.db2.gz NOHUKBCYMAVOAK-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000601659998 460860399 /nfs/dbraw/zinc/86/03/99/460860399.db2.gz QHVNKTQDBLFYSP-OAHLLOKOSA-N 0 0 341.367 3.018 10 5 EGBERN CSCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000601719836 460883952 /nfs/dbraw/zinc/88/39/52/460883952.db2.gz UKXSZNVFYDNGSK-UHFFFAOYSA-N 0 0 331.397 3.456 10 5 EGBERN Cc1cccc([C@@H](C)C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601773696 460893954 /nfs/dbraw/zinc/89/39/54/460893954.db2.gz AQNOHULDNKVIIK-KUHUBIRLSA-N 0 0 342.395 3.031 10 5 EGBERN CCOc1cc(C(=O)N[C@H](C)CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000601871812 460931325 /nfs/dbraw/zinc/93/13/25/460931325.db2.gz VKIHIHVVIJEGEX-LLVKDONJSA-N 0 0 336.388 3.311 10 5 EGBERN Cc1cc(SCCn2c(C)ncc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000601915052 460942043 /nfs/dbraw/zinc/94/20/43/460942043.db2.gz ZKCQTWMGPNUWJJ-UHFFFAOYSA-N 0 0 343.412 3.386 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CNc1ccn(C2CCSCC2)n1 ZINC000601926131 460946519 /nfs/dbraw/zinc/94/65/19/460946519.db2.gz DSCLFJVWITZADH-UHFFFAOYSA-N 0 0 336.392 3.033 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C(F)F)CC1 ZINC000601975478 460966936 /nfs/dbraw/zinc/96/69/36/460966936.db2.gz KPMHPQVQUYDJOX-HNNXBMFYSA-N 0 0 344.358 3.238 10 5 EGBERN C[C@H]1SCC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000649172391 462429792 /nfs/dbraw/zinc/42/97/92/462429792.db2.gz FMFSNAPOABBECK-ABAIWWIYSA-N 0 0 338.432 3.305 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)n[nH]2)s1 ZINC000532145550 468100236 /nfs/dbraw/zinc/10/02/36/468100236.db2.gz IGFQNZXLAZUTJO-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN COc1cccc([C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCO2)c1 ZINC000154099893 533735934 /nfs/dbraw/zinc/73/59/34/533735934.db2.gz CHMYZVNQXYAMCB-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN CC(C)O[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000344573987 534910851 /nfs/dbraw/zinc/91/08/51/534910851.db2.gz JPRCFHZGXRMCQR-JKSUJKDBSA-N 0 0 345.399 3.398 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@@H]1CCCCO1 ZINC000183471067 527499763 /nfs/dbraw/zinc/49/97/63/527499763.db2.gz LPJVCKSMGLGMMN-NJWFCXLTSA-N 0 0 332.400 3.464 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C12CCCC2 ZINC000183595356 527796227 /nfs/dbraw/zinc/79/62/27/527796227.db2.gz MSNIIXABVFVYIU-HUUCEWRRSA-N 0 0 348.403 3.191 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000151694264 527867359 /nfs/dbraw/zinc/86/73/59/527867359.db2.gz ZRYQZVBRASSZGQ-OLZOCXBDSA-N 0 0 349.387 3.065 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CCCC2)cc1OC ZINC000172096995 528335614 /nfs/dbraw/zinc/33/56/14/528335614.db2.gz SQJFLHVTWFLNJF-LLVKDONJSA-N 0 0 336.388 3.311 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000173269783 535707254 /nfs/dbraw/zinc/70/72/54/535707254.db2.gz ISBAYJPFYPLKAJ-NSHDSACASA-N 0 0 326.418 3.255 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000067512660 546567869 /nfs/dbraw/zinc/56/78/69/546567869.db2.gz ZTCABXDWRKQURB-CVEARBPZSA-N 0 0 348.362 3.066 10 5 EGBERN COC(=O)c1ccc(OCc2nc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC000613113152 548120291 /nfs/dbraw/zinc/12/02/91/548120291.db2.gz XPXYRQRWUVDQEA-UHFFFAOYSA-N 0 0 347.327 3.001 10 5 EGBERN COC(=O)c1ccc(OCc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC000613109303 548120293 /nfs/dbraw/zinc/12/02/93/548120293.db2.gz ATJGJPFAXVNEPV-UHFFFAOYSA-N 0 0 346.270 3.241 10 5 EGBERN CC[C@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000726008216 574522542 /nfs/dbraw/zinc/52/25/42/574522542.db2.gz TZKPRFBJZXOTEV-ZDUSSCGKSA-N 0 0 348.355 3.315 10 5 EGBERN Cc1ccc(/C=C/S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000726794270 574571854 /nfs/dbraw/zinc/57/18/54/574571854.db2.gz DJPIQCKDMNZYLO-CMDGGOBGSA-N 0 0 337.328 3.422 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000726932483 574611169 /nfs/dbraw/zinc/61/11/69/574611169.db2.gz QLEFWAYFAPDDIW-LLVKDONJSA-N 0 0 348.330 3.459 10 5 EGBERN COc1ccc(Nc2ccncc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000727431911 574666806 /nfs/dbraw/zinc/66/68/06/574666806.db2.gz YJAMKCOHRKDKMA-UHFFFAOYSA-N 0 0 329.356 3.485 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000728149253 574721319 /nfs/dbraw/zinc/72/13/19/574721319.db2.gz BFPQDKQBSYLTCZ-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc2c(s1)CCOC2 ZINC000728644228 574764548 /nfs/dbraw/zinc/76/45/48/574764548.db2.gz KWEZGLGBSAZYLF-UHFFFAOYSA-N 0 0 325.367 3.148 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729520780 574868579 /nfs/dbraw/zinc/86/85/79/574868579.db2.gz RYEUNMNMSMIDTD-UHFFFAOYSA-N 0 0 349.774 3.077 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000729865701 574893289 /nfs/dbraw/zinc/89/32/89/574893289.db2.gz PGZJEJDOWLDWJN-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)cc1 ZINC000754273090 575021660 /nfs/dbraw/zinc/02/16/60/575021660.db2.gz ARIDDJCXASEYJC-UHFFFAOYSA-N 0 0 337.690 3.313 10 5 EGBERN C[C@@H](COc1cccc(F)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000731778341 575206543 /nfs/dbraw/zinc/20/65/43/575206543.db2.gz IUUQBHWXHCROLH-LBPRGKRZSA-N 0 0 333.315 3.287 10 5 EGBERN COc1ccc(CNC(=O)/C=C(/C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000731977390 575228674 /nfs/dbraw/zinc/22/86/74/575228674.db2.gz QLZYQTASWZRVKR-WQLSENKSSA-N 0 0 344.342 3.462 10 5 EGBERN CN(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc(Cl)n1 ZINC000733100059 575308973 /nfs/dbraw/zinc/30/89/73/575308973.db2.gz NXRXTBGKIRQNNA-UHFFFAOYSA-N 0 0 338.726 3.101 10 5 EGBERN C[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000735134260 575603634 /nfs/dbraw/zinc/60/36/34/575603634.db2.gz NWLSLMLLWPYMSW-LLVKDONJSA-N 0 0 330.296 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000735487056 575668596 /nfs/dbraw/zinc/66/85/96/575668596.db2.gz ASCUIIFWQPCFSC-LBPRGKRZSA-N 0 0 328.155 3.442 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nccn1CC(F)(F)F ZINC000742258608 576763681 /nfs/dbraw/zinc/76/36/81/576763681.db2.gz JNBSICCPMLMICV-SNVBAGLBSA-N 0 0 340.305 3.305 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000743545364 576811585 /nfs/dbraw/zinc/81/15/85/576811585.db2.gz RNONPVDBVLVVPP-GFCCVEGCSA-N 0 0 330.388 3.101 10 5 EGBERN C[C@@H](OC(=O)CN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000744362010 576826449 /nfs/dbraw/zinc/82/64/49/576826449.db2.gz NVRWBZPZYXCXGR-CYBMUJFWSA-N 0 0 326.352 3.262 10 5 EGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000745455210 576848175 /nfs/dbraw/zinc/84/81/75/576848175.db2.gz FEKCKEIVIIQRLA-HNNXBMFYSA-N 0 0 349.431 3.474 10 5 EGBERN C[C@@H](NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000007909073 1291093926 /nfs/dbraw/zinc/09/39/26/1291093926.db2.gz ISZSIIFJVKEADP-ABZNLYFFSA-N 0 0 340.335 3.214 10 5 EGBERN CC(C)(C)SCC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000918819757 1322000886 /nfs/dbraw/zinc/00/08/86/1322000886.db2.gz BBXDBBFMRSETRS-UHFFFAOYSA-N 0 0 327.402 3.439 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000869934260 1295546334 /nfs/dbraw/zinc/54/63/34/1295546334.db2.gz TUVDDPPJYOYIHS-MFOWVQHXSA-N 0 0 339.775 3.497 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)OCCSc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000870278355 1295783773 /nfs/dbraw/zinc/78/37/73/1295783773.db2.gz KFQIAFJYTLDSMS-JTNHKYCSSA-N 0 0 325.386 3.044 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCC2(C1)OCCO2 ZINC000870630437 1295988354 /nfs/dbraw/zinc/98/83/54/1295988354.db2.gz AJCLILJNWMJLQL-BYIUCRAPSA-N 0 0 347.367 3.227 10 5 EGBERN CCc1ccc(C(=O)OCc2ccnn2C(F)F)cc1[N+](=O)[O-] ZINC000870741397 1296056353 /nfs/dbraw/zinc/05/63/53/1296056353.db2.gz QMZNIRMNBKAUML-UHFFFAOYSA-N 0 0 325.271 3.106 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc(Cl)ccc1F ZINC000870826438 1296104577 /nfs/dbraw/zinc/10/45/77/1296104577.db2.gz BHXIAXNVRANIKB-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN Cc1ccc(C[C@@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870828372 1296106617 /nfs/dbraw/zinc/10/66/17/1296106617.db2.gz PSGJZLSLXRBSDN-BZOOQXSSSA-N 0 0 343.383 3.225 10 5 EGBERN CC(C)c1cccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870830497 1296107464 /nfs/dbraw/zinc/10/74/64/1296107464.db2.gz DUWNECPLOHJMEA-UHFFFAOYSA-N 0 0 329.356 3.475 10 5 EGBERN Cc1ccsc1CCCC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829798 1296107616 /nfs/dbraw/zinc/10/76/16/1296107616.db2.gz QXBKSYAXNQXLND-UHFFFAOYSA-N 0 0 349.412 3.431 10 5 EGBERN O=C(/C=C\CCc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831118 1296107938 /nfs/dbraw/zinc/10/79/38/1296107938.db2.gz OZLMKNIZQNHOGX-UITAMQMPSA-N 0 0 341.367 3.227 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1cc([N+](=O)[O-])ccc1Br ZINC000230800239 1296165383 /nfs/dbraw/zinc/16/53/83/1296165383.db2.gz AKIUQOCCTPDJHD-SNVBAGLBSA-N 0 0 332.150 3.078 10 5 EGBERN C[C@@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000235240485 1296182999 /nfs/dbraw/zinc/18/29/99/1296182999.db2.gz YPFHKWPNTGQHJL-MRVPVSSYSA-N 0 0 346.177 3.466 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000871041365 1296192109 /nfs/dbraw/zinc/19/21/09/1296192109.db2.gz ZGKASCGTYKUERS-JEJOPICUSA-N 0 0 344.411 3.464 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871330452 1296353457 /nfs/dbraw/zinc/35/34/57/1296353457.db2.gz AEINGUBRSQDMTB-QGZVFWFLSA-N 0 0 332.400 3.088 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000871579332 1296439527 /nfs/dbraw/zinc/43/95/27/1296439527.db2.gz IUNSVQYANAKDAL-HNNXBMFYSA-N 0 0 332.400 3.094 10 5 EGBERN CCOC(=O)c1ncc(CNc2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000871835572 1296556786 /nfs/dbraw/zinc/55/67/86/1296556786.db2.gz MHXFGFFPGRWFJC-UHFFFAOYSA-N 0 0 339.348 3.288 10 5 EGBERN Cc1ncc(C(F)(F)F)cc1-c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000871847797 1296565322 /nfs/dbraw/zinc/56/53/22/1296565322.db2.gz RZWCMOWOULOIJI-UHFFFAOYSA-N 0 0 344.293 3.447 10 5 EGBERN CCO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000872061522 1296708239 /nfs/dbraw/zinc/70/82/39/1296708239.db2.gz FRCXYGFPGJCEDI-HVDRQEDPSA-N 0 0 338.379 3.111 10 5 EGBERN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067798 1296714394 /nfs/dbraw/zinc/71/43/94/1296714394.db2.gz CKVLGDPTABGNIP-MNOVXSKESA-N 0 0 341.383 3.298 10 5 EGBERN CCn1ncc(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1C ZINC000872139789 1296764243 /nfs/dbraw/zinc/76/42/43/1296764243.db2.gz QAJIIPDRGHHYIA-MRXNPFEDSA-N 0 0 340.387 3.055 10 5 EGBERN Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000872159612 1296779863 /nfs/dbraw/zinc/77/98/63/1296779863.db2.gz KYHJKXBLPZDQEN-UHFFFAOYSA-N 0 0 328.368 3.276 10 5 EGBERN CCOc1cc(NC(=O)NCCc2ccncc2C)ccc1[N+](=O)[O-] ZINC000585119843 1298031244 /nfs/dbraw/zinc/03/12/44/1298031244.db2.gz WZUJJHDQMOXKTF-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN Cc1ccc(NCc2cn(C)nc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000876850427 1299031617 /nfs/dbraw/zinc/03/16/17/1299031617.db2.gz REURSKOVSIVTKM-UHFFFAOYSA-N 0 0 344.293 3.190 10 5 EGBERN CCC(F)(F)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881866299 1301746028 /nfs/dbraw/zinc/74/60/28/1301746028.db2.gz UUZNDFKHZPDUKZ-UHFFFAOYSA-N 0 0 337.120 3.019 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC2CCOCC2)C1 ZINC000881920013 1301756665 /nfs/dbraw/zinc/75/66/65/1301756665.db2.gz WXLCZFZSGPPKMY-GXDHUFHOSA-N 0 0 344.411 3.273 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC2(CCCCO2)CC1 ZINC000882428944 1301960282 /nfs/dbraw/zinc/96/02/82/1301960282.db2.gz AKMDDGVTJYCJPY-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN CC(=O)C1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000882714241 1302075202 /nfs/dbraw/zinc/07/52/02/1302075202.db2.gz QBGIQAZLNHGQRJ-UHFFFAOYSA-N 0 0 345.168 3.302 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000885475373 1303155464 /nfs/dbraw/zinc/15/54/64/1303155464.db2.gz WOKGDBXFKCKXIU-VJXXYTJISA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C\C(=O)NC1CC2(C1)CO[C@@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000888723682 1304252552 /nfs/dbraw/zinc/25/25/52/1304252552.db2.gz NSICSELIDCRJEV-KVEVAJDUSA-N 0 0 330.384 3.072 10 5 EGBERN CC1(C)CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000890125008 1304680401 /nfs/dbraw/zinc/68/04/01/1304680401.db2.gz YFDLNHHXKDPSBL-OWCLPIDISA-N 0 0 332.400 3.162 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000890172990 1304691668 /nfs/dbraw/zinc/69/16/68/1304691668.db2.gz ZDOBUMVXJARMJR-XGZAABKCSA-N 0 0 342.395 3.074 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC12CCCC2 ZINC000890415981 1304781576 /nfs/dbraw/zinc/78/15/76/1304781576.db2.gz WXUZPAILVYULRB-AHKFDXCISA-N 0 0 330.384 3.216 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000890766912 1304874715 /nfs/dbraw/zinc/87/47/15/1304874715.db2.gz KUNFJFDVNMZOGC-NOZJJQNGSA-N 0 0 326.755 3.401 10 5 EGBERN CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])CC(F)F ZINC000893372704 1305854088 /nfs/dbraw/zinc/85/40/88/1305854088.db2.gz BFIBUBOEBTXSJW-UHFFFAOYSA-N 0 0 330.331 3.161 10 5 EGBERN CC[C@H](NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000893859170 1306100807 /nfs/dbraw/zinc/10/08/07/1306100807.db2.gz SGVDJQHQTXJBRL-JLNOUXKISA-N 0 0 332.400 3.320 10 5 EGBERN CC(C)c1ccc(C(=O)N2C[C@H](C)Cn3nccc32)cc1[N+](=O)[O-] ZINC000893881090 1306111956 /nfs/dbraw/zinc/11/19/56/1306111956.db2.gz DOFDOTULBJSIQB-LBPRGKRZSA-N 0 0 328.372 3.211 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[C@]12CCCO2 ZINC000893926072 1306132375 /nfs/dbraw/zinc/13/23/75/1306132375.db2.gz XZHCBNVRYBWJNN-ZBFHGGJFSA-N 0 0 338.791 3.009 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894337898 1306348718 /nfs/dbraw/zinc/34/87/18/1306348718.db2.gz STUWLQUYCFDQAN-DTORHVGOSA-N 0 0 346.330 3.049 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894403655 1308857887 /nfs/dbraw/zinc/85/78/87/1308857887.db2.gz WRBYEQPEGJBMIP-LRFDDAOPSA-N 0 0 330.384 3.074 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000894530023 1308940543 /nfs/dbraw/zinc/94/05/43/1308940543.db2.gz CDGKTFWAZNTCTC-LBPRGKRZSA-N 0 0 338.791 3.327 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCOC2(CCC2)C1 ZINC000894663633 1309010860 /nfs/dbraw/zinc/01/08/60/1309010860.db2.gz AJYWFLYHEWUHLZ-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN C[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000894664755 1309011819 /nfs/dbraw/zinc/01/18/19/1309011819.db2.gz RPDIDPUEBIQOKR-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894697500 1309026880 /nfs/dbraw/zinc/02/68/80/1309026880.db2.gz NVHGHVOVNMVTPO-KDOFPFPSSA-N 0 0 340.379 3.389 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000894702462 1309028711 /nfs/dbraw/zinc/02/87/11/1309028711.db2.gz UMDVWVSRTKYDCI-XHDPSFHLSA-N 0 0 338.791 3.198 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCc3nc[nH]c3C23CCC3)ccc1Cl ZINC000895068068 1309176149 /nfs/dbraw/zinc/17/61/49/1309176149.db2.gz HRNIBTYHZQVMBN-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000895974504 1309622342 /nfs/dbraw/zinc/62/23/42/1309622342.db2.gz FMZSQOOMQJVWNZ-OAHLLOKOSA-N 0 0 326.356 3.319 10 5 EGBERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](Nc1ncc([N+](=O)[O-])s1)C2 ZINC000897305593 1310282736 /nfs/dbraw/zinc/28/27/36/1310282736.db2.gz XZMSFSCHQXMHDJ-BBBLOLIVSA-N 0 0 340.405 3.004 10 5 EGBERN Cc1cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000898076232 1310580499 /nfs/dbraw/zinc/58/04/99/1310580499.db2.gz MEWRNIPERCBWID-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000898677772 1310821745 /nfs/dbraw/zinc/82/17/45/1310821745.db2.gz ULCIGBHRUQJBCB-UHFFFAOYSA-N 0 0 332.400 3.100 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1([C@H]2CCCCO2)CC1 ZINC000929212415 1328538244 /nfs/dbraw/zinc/53/82/44/1328538244.db2.gz PMTSBYNERUTUMQ-CYBMUJFWSA-N 0 0 339.779 3.471 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000929223236 1328541322 /nfs/dbraw/zinc/54/13/22/1328541322.db2.gz RTBGWRUUGPMAOU-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN Cc1c(NC(=O)N2CCS[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000929221893 1328541526 /nfs/dbraw/zinc/54/15/26/1328541526.db2.gz ZFYLCIPHPXDIRS-NSHDSACASA-N 0 0 349.334 3.415 10 5 EGBERN Cc1ccc(COCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1 ZINC000857602082 1328560749 /nfs/dbraw/zinc/56/07/49/1328560749.db2.gz AUPFSGHHBNPGBS-UHFFFAOYSA-N 0 0 340.379 3.318 10 5 EGBERN O=c1c(Br)cn(C[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000857761132 1328595049 /nfs/dbraw/zinc/59/50/49/1328595049.db2.gz YDEVJTNBGUABIF-ILDUYXDCSA-N 0 0 341.205 3.345 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858009523 1328655206 /nfs/dbraw/zinc/65/52/06/1328655206.db2.gz WJCBEWIIMAFTHA-HNNXBMFYSA-N 0 0 340.383 3.310 10 5 EGBERN CNc1ccc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000899492011 1317053796 /nfs/dbraw/zinc/05/37/96/1317053796.db2.gz CBEKRBPHLPNIPM-KRWDZBQOSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ncccn3)C2)c1C ZINC000899519128 1317069076 /nfs/dbraw/zinc/06/90/76/1317069076.db2.gz MZKPNWVWGNUFCU-CQSZACIVSA-N 0 0 340.383 3.021 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000913386129 1319021082 /nfs/dbraw/zinc/02/10/82/1319021082.db2.gz OSFUSEOLDOMUCO-MXWKQRLJSA-N 0 0 326.755 3.440 10 5 EGBERN CCO[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000913386042 1319021373 /nfs/dbraw/zinc/02/13/73/1319021373.db2.gz IETCGVCYOAERHA-CYBMUJFWSA-N 0 0 332.759 3.065 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913716366 1319105711 /nfs/dbraw/zinc/10/57/11/1319105711.db2.gz KSOQRFFESUBFAV-VIFPVBQESA-N 0 0 332.784 3.403 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)c1 ZINC000858616090 1328811138 /nfs/dbraw/zinc/81/11/38/1328811138.db2.gz YPQXKTOQDNQWCB-GFCCVEGCSA-N 0 0 328.328 3.200 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238999 1319273986 /nfs/dbraw/zinc/27/39/86/1319273986.db2.gz PIEPHPCYMXOHFT-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3CO2)c1 ZINC000858659035 1328820448 /nfs/dbraw/zinc/82/04/48/1328820448.db2.gz CCNXZUUUIJFGDD-AWEZNQCLSA-N 0 0 332.331 3.296 10 5 EGBERN Cc1sc(C(=O)O[C@H](C(=O)NC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000914585555 1319348841 /nfs/dbraw/zinc/34/88/41/1319348841.db2.gz SOVHOSYPAANISM-LBPRGKRZSA-N 0 0 342.417 3.061 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930318590 1328832811 /nfs/dbraw/zinc/83/28/11/1328832811.db2.gz CTFZGPKEWZSAMK-QZTJIDSGSA-N 0 0 346.427 3.362 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930318591 1328832964 /nfs/dbraw/zinc/83/29/64/1328832964.db2.gz CTFZGPKEWZSAMK-ROUUACIJSA-N 0 0 346.427 3.362 10 5 EGBERN COc1cccc([C@@H](O)C2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000858848115 1328875903 /nfs/dbraw/zinc/87/59/03/1328875903.db2.gz QMPAIMCNIUMECD-HNNXBMFYSA-N 0 0 349.412 3.010 10 5 EGBERN Cc1cc(NC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000930732189 1328952151 /nfs/dbraw/zinc/95/21/51/1328952151.db2.gz BQFIPZAHVZZRNA-PWSUYJOCSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000918874708 1322006980 /nfs/dbraw/zinc/00/69/80/1322006980.db2.gz GUFRKOVOQWFSRW-UHFFFAOYSA-N 0 0 332.259 3.427 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(-c2ccoc2)[nH]n1 ZINC000919329177 1322057165 /nfs/dbraw/zinc/05/71/65/1322057165.db2.gz PCHOQMLGPJJDSV-UHFFFAOYSA-N 0 0 331.259 3.074 10 5 EGBERN CN(CCOC(=O)CSC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000920804155 1322223943 /nfs/dbraw/zinc/22/39/43/1322223943.db2.gz CEDMNJSDIQVXSY-UHFFFAOYSA-N 0 0 326.418 3.106 10 5 EGBERN CCOC(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000921274955 1322284400 /nfs/dbraw/zinc/28/44/00/1322284400.db2.gz ZKZHJRWFUZBMFU-UHFFFAOYSA-N 0 0 329.308 3.299 10 5 EGBERN CC[C@@H](NC(=O)N1CCn2cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000921334066 1322294798 /nfs/dbraw/zinc/29/47/98/1322294798.db2.gz DRNIPZUDDAGPEW-MRXNPFEDSA-N 0 0 328.372 3.073 10 5 EGBERN Cc1cnc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000921336752 1322295567 /nfs/dbraw/zinc/29/55/67/1322295567.db2.gz WBWUMZAFSCCLJJ-CQSZACIVSA-N 0 0 342.399 3.475 10 5 EGBERN C[C@@H](NS(=O)(=O)CCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000921365208 1322302338 /nfs/dbraw/zinc/30/23/38/1322302338.db2.gz GRLJMFPXLVYCPF-SNVBAGLBSA-N 0 0 336.360 3.011 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000923421577 1322748256 /nfs/dbraw/zinc/74/82/56/1322748256.db2.gz HBIKBTDZUKFWQY-CYBMUJFWSA-N 0 0 349.383 3.386 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1C[C@]12CCOC2 ZINC000923596977 1322779657 /nfs/dbraw/zinc/77/96/57/1322779657.db2.gz BSKKCLYICJNJPK-WBMJQRKESA-N 0 0 339.775 3.151 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000925039413 1323253054 /nfs/dbraw/zinc/25/30/54/1323253054.db2.gz FRUSIXFBVLJNNU-CYBMUJFWSA-N 0 0 335.404 3.003 10 5 EGBERN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)NC(C)(C)C ZINC000859810647 1329083533 /nfs/dbraw/zinc/08/35/33/1329083533.db2.gz SWWPZPDNXXWFOD-LLVKDONJSA-N 0 0 344.367 3.208 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cn1ccc(C(F)F)n1 ZINC000859927924 1329112452 /nfs/dbraw/zinc/11/24/52/1329112452.db2.gz CKKQAEUNXJTELS-JTQLQIEISA-N 0 0 339.298 3.342 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000860071765 1329141008 /nfs/dbraw/zinc/14/10/08/1329141008.db2.gz CLTTVOLYZMAPMU-ZDUSSCGKSA-N 0 0 337.372 3.240 10 5 EGBERN CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931624193 1329155787 /nfs/dbraw/zinc/15/57/87/1329155787.db2.gz LHWCCQJEFCTNBP-AAEUAGOBSA-N 0 0 327.768 3.198 10 5 EGBERN Cc1noc(COC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000860148043 1329159183 /nfs/dbraw/zinc/15/91/83/1329159183.db2.gz XTTJGEGEKMWWHI-STQMWFEESA-N 0 0 334.303 3.267 10 5 EGBERN COC[C@]1(C)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000860202711 1329172373 /nfs/dbraw/zinc/17/23/73/1329172373.db2.gz QURNAXCWWWMIOM-AWEZNQCLSA-N 0 0 349.214 3.139 10 5 EGBERN C[C@@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000860319876 1329304209 /nfs/dbraw/zinc/30/42/09/1329304209.db2.gz JODYOQXZZOLLRG-JTQLQIEISA-N 0 0 335.278 3.495 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000860344748 1329307458 /nfs/dbraw/zinc/30/74/58/1329307458.db2.gz ULTCQJYNIZGKEJ-LSDHHAIUSA-N 0 0 340.379 3.247 10 5 EGBERN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO[C@@H]1C1CC1 ZINC000860779505 1329354424 /nfs/dbraw/zinc/35/44/24/1329354424.db2.gz DBLKEMKQIJMPAR-IEBWSBKVSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nccc2c1CCCC2 ZINC000927613258 1328079525 /nfs/dbraw/zinc/07/95/25/1328079525.db2.gz UOPDWBIKIZJXBV-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN CO[C@]12CCC[C@@]1(NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CCO2 ZINC000928061667 1328182745 /nfs/dbraw/zinc/18/27/45/1328182745.db2.gz JIDRRVLWFVBYKR-MSOLQXFVSA-N 0 0 348.399 3.134 10 5 EGBERN Cc1sc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC000928074977 1328189004 /nfs/dbraw/zinc/18/90/04/1328189004.db2.gz VLEHFAGCRVMDNQ-YGRLFVJLSA-N 0 0 336.344 3.166 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000928137542 1328211156 /nfs/dbraw/zinc/21/11/56/1328211156.db2.gz ZHFDZQANBYVDGV-BXKDBHETSA-N 0 0 348.346 3.205 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246292 1328253302 /nfs/dbraw/zinc/25/33/02/1328253302.db2.gz GXTDMAINNJFKPA-QWHCGFSZSA-N 0 0 330.388 3.182 10 5 EGBERN C[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000928247240 1328254682 /nfs/dbraw/zinc/25/46/82/1328254682.db2.gz RRRDKAFOHFUVHE-MLGOLLRUSA-N 0 0 326.352 3.166 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C2CC2)O1 ZINC000861430600 1329417712 /nfs/dbraw/zinc/41/77/12/1329417712.db2.gz FFERBPCOBCHWLO-KZULUSFZSA-N 0 0 340.379 3.388 10 5 EGBERN O=C(/C=C/[C@@H]1CCCO1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446183 1329418754 /nfs/dbraw/zinc/41/87/54/1329418754.db2.gz SMTXQROECKDUDF-IRORGTOCSA-N 0 0 345.273 3.477 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CC1(F)F ZINC000861446374 1329418804 /nfs/dbraw/zinc/41/88/04/1329418804.db2.gz UHWKVRJJHNWUNW-BDAKNGLRSA-N 0 0 325.189 3.397 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@]2(C1)CCCOC2 ZINC000861597684 1329429559 /nfs/dbraw/zinc/42/95/59/1329429559.db2.gz DNAUTQRIWMZKID-IBGZPJMESA-N 0 0 340.379 3.391 10 5 EGBERN C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861841982 1329444847 /nfs/dbraw/zinc/44/48/47/1329444847.db2.gz YGEADSCDHDLJBF-XIKOKIGWSA-N 0 0 328.368 3.029 10 5 EGBERN CC1(C)C[C@H](O)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861920632 1329450224 /nfs/dbraw/zinc/45/02/24/1329450224.db2.gz QMURCQWSPBHRRS-OAHLLOKOSA-N 0 0 342.395 3.371 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862221227 1329467092 /nfs/dbraw/zinc/46/70/92/1329467092.db2.gz RLCCMNNQQQFUKD-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000862865564 1329516334 /nfs/dbraw/zinc/51/63/34/1329516334.db2.gz DMLVWSLPLAHQCD-UHFFFAOYSA-N 0 0 334.759 3.464 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NCC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000862949254 1329519697 /nfs/dbraw/zinc/51/96/97/1329519697.db2.gz YFKPLYFVIYYQGH-GFCCVEGCSA-N 0 0 335.379 3.276 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000863008751 1329522705 /nfs/dbraw/zinc/52/27/05/1329522705.db2.gz CJPCEJIUSACILA-NWDGAFQWSA-N 0 0 347.352 3.159 10 5 EGBERN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863283848 1329544029 /nfs/dbraw/zinc/54/40/29/1329544029.db2.gz VZRLDHUWZKDSTH-SKDRFNHKSA-N 0 0 345.182 3.199 10 5 EGBERN C/C=C\C[C@@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339540 1329548283 /nfs/dbraw/zinc/54/82/83/1329548283.db2.gz DAZFWUVYKCSDAR-XQJDBVBESA-N 0 0 331.372 3.138 10 5 EGBERN C/C=C\C[C@@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000863340509 1329548477 /nfs/dbraw/zinc/54/84/77/1329548477.db2.gz KVQGAIMKVAIZPJ-OTDNITJGSA-N 0 0 343.225 3.190 10 5 EGBERN O=Cc1ccc(OCc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])c1 ZINC000864045881 1329594801 /nfs/dbraw/zinc/59/48/01/1329594801.db2.gz QEIFCHJFHPPGGN-UHFFFAOYSA-N 0 0 337.234 3.308 10 5 EGBERN C[C@@H](NC(=O)c1cnn(CC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000864105066 1329598063 /nfs/dbraw/zinc/59/80/63/1329598063.db2.gz IRRJESTYLHZATJ-CYBMUJFWSA-N 0 0 342.399 3.473 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([C@H]2CCCCO2)CCC1 ZINC000864822579 1329644985 /nfs/dbraw/zinc/64/49/85/1329644985.db2.gz LBCWCRNTMYPJGK-MRXNPFEDSA-N 0 0 332.400 3.293 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CSC2)C1 ZINC000864993199 1329659884 /nfs/dbraw/zinc/65/98/84/1329659884.db2.gz OZIAGBIUVFJEDU-UHFFFAOYSA-N 0 0 334.441 3.475 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000865352575 1329688220 /nfs/dbraw/zinc/68/82/20/1329688220.db2.gz NKYNTYICYZAPPN-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2c(F)cccc2C1 ZINC000865643863 1329724491 /nfs/dbraw/zinc/72/44/91/1329724491.db2.gz DZHVPWHBCVYPCC-UHFFFAOYSA-N 0 0 344.268 3.049 10 5 EGBERN CC(=O)N1CC[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865812405 1329741572 /nfs/dbraw/zinc/74/15/72/1329741572.db2.gz PBDUNIUKYKELEG-SECBINFHSA-N 0 0 332.187 3.182 10 5 EGBERN CC(=O)N(c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000865836034 1329743709 /nfs/dbraw/zinc/74/37/09/1329743709.db2.gz OOPYRGKYUSCRAI-UHFFFAOYSA-N 0 0 330.319 3.388 10 5 EGBERN CO[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000865930047 1329752473 /nfs/dbraw/zinc/75/24/73/1329752473.db2.gz HGTWFHVXDDLXOQ-KCJUWKMLSA-N 0 0 335.187 3.365 10 5 EGBERN CC(C)NC(=O)c1ccc(NCC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000865985974 1329757048 /nfs/dbraw/zinc/75/70/48/1329757048.db2.gz LURSAQAEPWMRJI-LBPRGKRZSA-N 0 0 337.445 3.288 10 5 EGBERN COCc1ncc2c(n1)CCN(c1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000865991507 1329757404 /nfs/dbraw/zinc/75/74/04/1329757404.db2.gz AKZQMQQGTIRXII-UHFFFAOYSA-N 0 0 348.790 3.056 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000934211427 1329956021 /nfs/dbraw/zinc/95/60/21/1329956021.db2.gz DYQXPQKAALITHC-IAISJRAMSA-N 0 0 330.384 3.040 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1cc(C)sc1[N+](=O)[O-])CC2 ZINC000866040468 1330058471 /nfs/dbraw/zinc/05/84/71/1330058471.db2.gz XBHGYWUHUDYSJZ-UHFFFAOYSA-N 0 0 331.397 3.486 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](OC4CCC4)CC3)c21 ZINC000866146123 1330070529 /nfs/dbraw/zinc/07/05/29/1330070529.db2.gz GELAPDSYSDYCIR-AWEZNQCLSA-N 0 0 342.399 3.466 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000866155962 1330071401 /nfs/dbraw/zinc/07/14/01/1330071401.db2.gz RKROGUZYUYKNCH-SAZUREKKSA-N 0 0 332.381 3.012 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000866159172 1330071705 /nfs/dbraw/zinc/07/17/05/1330071705.db2.gz ZLLMKTOAISCZGQ-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCC23CCOCC3)s1 ZINC000866173482 1330073087 /nfs/dbraw/zinc/07/30/87/1330073087.db2.gz SOCODNNUNRITOE-SNVBAGLBSA-N 0 0 334.401 3.218 10 5 EGBERN Cc1ccc(CNc2ccc3nnc(C(C)(C)C)n3n2)cc1[N+](=O)[O-] ZINC000866182025 1330074648 /nfs/dbraw/zinc/07/46/48/1330074648.db2.gz QGAYWVFSSQBOJO-UHFFFAOYSA-N 0 0 340.387 3.251 10 5 EGBERN Cc1ccc(CNc2ccc3nnc([C@H]4C[C@H]4C)n3n2)cc1[N+](=O)[O-] ZINC000866181799 1330074743 /nfs/dbraw/zinc/07/47/43/1330074743.db2.gz MVAGNPUSDBBQKW-YPMHNXCESA-N 0 0 338.371 3.076 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866231629 1330081347 /nfs/dbraw/zinc/08/13/47/1330081347.db2.gz GFSBMOQDCMSABB-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866567781 1330127967 /nfs/dbraw/zinc/12/79/67/1330127967.db2.gz OCSZMKGWLJASHZ-VIFPVBQESA-N 0 0 340.330 3.125 10 5 EGBERN Nc1ccc2c(c1)OCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000866690416 1330141593 /nfs/dbraw/zinc/14/15/93/1330141593.db2.gz YGJTXASGZONYNM-UHFFFAOYSA-N 0 0 333.775 3.225 10 5 EGBERN COc1cc(Cc2noc([C@@]34C[C@@H]3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000866943353 1330159707 /nfs/dbraw/zinc/15/97/07/1330159707.db2.gz GSWLEBWQLQUVET-SJCJKPOMSA-N 0 0 329.356 3.409 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000866943921 1330159987 /nfs/dbraw/zinc/15/99/87/1330159987.db2.gz NTIXGUPCUWLABK-WKSBVSIWSA-N 0 0 329.356 3.337 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000866979945 1330163141 /nfs/dbraw/zinc/16/31/41/1330163141.db2.gz RBSHANIDFBATQA-SECBINFHSA-N 0 0 341.205 3.205 10 5 EGBERN CC(C)C1(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000867266588 1330189860 /nfs/dbraw/zinc/18/98/60/1330189860.db2.gz ZHJIQXVRYQKRQY-UHFFFAOYSA-N 0 0 337.756 3.285 10 5 EGBERN COCc1ccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000868044385 1330243574 /nfs/dbraw/zinc/24/35/74/1330243574.db2.gz MAPOGTYCJYSUIN-UHFFFAOYSA-N 0 0 343.383 3.049 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000868744094 1330330032 /nfs/dbraw/zinc/33/00/32/1330330032.db2.gz QBMYWKQWCKULEB-GJZGRUSLSA-N 0 0 343.786 3.407 10 5 EGBERN CCOC(CN(CC)C(=O)c1cccc(Cl)c1[N+](=O)[O-])OCC ZINC000868771680 1330338833 /nfs/dbraw/zinc/33/88/33/1330338833.db2.gz DDYJAGVNAQQLOQ-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000869053508 1330403182 /nfs/dbraw/zinc/40/31/82/1330403182.db2.gz BLYXUPFKMACXJX-UHFFFAOYSA-N 0 0 347.415 3.146 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CCSC1 ZINC000869604552 1330531426 /nfs/dbraw/zinc/53/14/26/1330531426.db2.gz DIISQZZDTSKDAY-JTQLQIEISA-N 0 0 328.821 3.050 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCSC1 ZINC000869611808 1330533450 /nfs/dbraw/zinc/53/34/50/1330533450.db2.gz HDWSWQXFFJHCHX-NEPJUHHUSA-N 0 0 340.470 3.335 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@]12CCC[C@H]1OCC2 ZINC000869717433 1330552129 /nfs/dbraw/zinc/55/21/29/1330552129.db2.gz OKOVHQZADAKNFB-HIFRSBDPSA-N 0 0 325.748 3.251 10 5 EGBERN O=C(OCCc1cncs1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811405 1330568749 /nfs/dbraw/zinc/56/87/49/1330568749.db2.gz PURUDMDVAJKEOW-UHFFFAOYSA-N 0 0 332.381 3.259 10 5 EGBERN O=C(OCCO[C@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810999 1330568994 /nfs/dbraw/zinc/56/89/94/1330568994.db2.gz MOIMSSDQNIMDEE-INIZCTEOSA-N 0 0 349.383 3.103 10 5 EGBERN Nc1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cc(Cl)n1 ZINC001183834465 1387356237 /nfs/dbraw/zinc/35/62/37/1387356237.db2.gz CEZDORIEPMCQSA-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCc2ccc(COCC(F)(F)F)cc2)n1 ZINC001184729480 1387522085 /nfs/dbraw/zinc/52/20/85/1387522085.db2.gz KLLAUSHEXWEDRL-UHFFFAOYSA-N 0 0 344.293 3.019 10 5 EGBERN COCc1cccc(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c1 ZINC001184766548 1387531859 /nfs/dbraw/zinc/53/18/59/1387531859.db2.gz GJVBPQJQXLKIFA-UHFFFAOYSA-N 0 0 330.340 3.200 10 5 EGBERN CC[C@@H](c1nnc(Sc2nn(C)cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001185230540 1387656986 /nfs/dbraw/zinc/65/69/86/1387656986.db2.gz GVGJTDHVDZVJRT-LLVKDONJSA-N 0 0 345.384 3.404 10 5 EGBERN CCOC(=O)c1cc(Oc2ccc(CC)cc2[N+](=O)[O-])nc(C)n1 ZINC001185332026 1387685017 /nfs/dbraw/zinc/68/50/17/1387685017.db2.gz TZEOIFFTAIXVJQ-UHFFFAOYSA-N 0 0 331.328 3.225 10 5 EGBERN CC[C@@H](C)[C@@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001185354083 1387691309 /nfs/dbraw/zinc/69/13/09/1387691309.db2.gz BIKNRVBZKSXPQE-HWPZZCPQSA-N 0 0 337.807 3.427 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001105435928 1366467514 /nfs/dbraw/zinc/46/75/14/1366467514.db2.gz KWSDIETWWRTAQQ-SHTZXODSSA-N 0 0 348.447 3.101 10 5 EGBERN Cc1ccc(Cn2cnc3c(c2=O)CC(C)(C)CC3)cc1[N+](=O)[O-] ZINC001189391718 1367011082 /nfs/dbraw/zinc/01/10/82/1367011082.db2.gz HURHOXPEAWLSOE-UHFFFAOYSA-N 0 0 327.384 3.023 10 5 EGBERN COCc1ccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)cc1 ZINC001189423184 1367017887 /nfs/dbraw/zinc/01/78/87/1367017887.db2.gz AGUMUDURDWMCAT-UHFFFAOYSA-N 0 0 342.330 3.187 10 5 EGBERN Cc1cc(CSCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1 ZINC001190236157 1367205272 /nfs/dbraw/zinc/20/52/72/1367205272.db2.gz SGUYGSAOCRLBNQ-UHFFFAOYSA-N 0 0 332.341 3.375 10 5 EGBERN CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)C(=O)OCC ZINC001194031931 1368170951 /nfs/dbraw/zinc/17/09/51/1368170951.db2.gz YELXXBXGTPATPI-LLVKDONJSA-N 0 0 328.796 3.412 10 5 EGBERN CO[C@@H]1COCC[C@@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186540124 1387966433 /nfs/dbraw/zinc/96/64/33/1387966433.db2.gz HYJZAJKKTIFUAE-QMTHXVAHSA-N 0 0 348.321 3.385 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@]2(O)CCC[C@H]2C)cc1C ZINC001186571388 1387971513 /nfs/dbraw/zinc/97/15/13/1387971513.db2.gz JEBCDDZLUNGLOU-PXAZEXFGSA-N 0 0 336.388 3.043 10 5 EGBERN O=C1CC[C@H](c2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)N1 ZINC001186714469 1388000052 /nfs/dbraw/zinc/00/00/52/1388000052.db2.gz RLMUCQWSIQRPRU-OAHLLOKOSA-N 0 0 349.350 3.233 10 5 EGBERN CN1c2ccccc2C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC001186999697 1388037528 /nfs/dbraw/zinc/03/75/28/1388037528.db2.gz SFHUPNGDBUMFKQ-MRXNPFEDSA-N 0 0 348.362 3.143 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC001187169006 1388062838 /nfs/dbraw/zinc/06/28/38/1388062838.db2.gz VHMVIPKODLTRIX-VOMCLLRMSA-N 0 0 339.367 3.495 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCc3ccco3)c2c1 ZINC001187162382 1388062214 /nfs/dbraw/zinc/06/22/14/1388062214.db2.gz QNPWYKXVIUIRRU-UHFFFAOYSA-N 0 0 342.311 3.111 10 5 EGBERN COC(=O)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001187224095 1388075707 /nfs/dbraw/zinc/07/57/07/1388075707.db2.gz AYOQGAFEFHBRKM-CYBMUJFWSA-N 0 0 330.315 3.011 10 5 EGBERN COC(=O)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC001187248737 1388080813 /nfs/dbraw/zinc/08/08/13/1388080813.db2.gz SUBPPBJFOVXYKG-LBPRGKRZSA-N 0 0 341.795 3.425 10 5 EGBERN CC[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1c(C)noc1C ZINC001116155111 1370848521 /nfs/dbraw/zinc/84/85/21/1370848521.db2.gz SBVSHBCLPKGYMN-OAHLLOKOSA-N 0 0 329.356 3.236 10 5 EGBERN COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001187353053 1388098401 /nfs/dbraw/zinc/09/84/01/1388098401.db2.gz ZUTGHFTVRVPEON-BFVZDQMLSA-N 0 0 344.289 3.367 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2nc(C)cs2)c1 ZINC001116533331 1370932072 /nfs/dbraw/zinc/93/20/72/1370932072.db2.gz QUFZGJWSCFYPFP-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC001118455768 1371184187 /nfs/dbraw/zinc/18/41/87/1371184187.db2.gz ZHQVULHINPQQMU-NSHDSACASA-N 0 0 344.161 3.082 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001118720259 1371215739 /nfs/dbraw/zinc/21/57/39/1371215739.db2.gz HVAYUJZSOPWGLS-OUAUKWLOSA-N 0 0 335.310 3.240 10 5 EGBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001187541706 1388123495 /nfs/dbraw/zinc/12/34/95/1388123495.db2.gz MSUFCLZNZGTPAY-KZULUSFZSA-N 0 0 346.383 3.454 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001187568471 1388126614 /nfs/dbraw/zinc/12/66/14/1388126614.db2.gz NMFMKJIMMPYGOR-OIBJUYFYSA-N 0 0 329.253 3.314 10 5 EGBERN C[C@H](Nc1ccc2nnc(C(F)F)n2n1)c1ccc([N+](=O)[O-])cc1 ZINC001187586953 1388127956 /nfs/dbraw/zinc/12/79/56/1388127956.db2.gz TYHYKMFKAVGGLN-QMMMGPOBSA-N 0 0 334.286 3.143 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CCC2(CCC2)CO1 ZINC001187607178 1388129377 /nfs/dbraw/zinc/12/93/77/1388129377.db2.gz QGZJXJOZJLNKAT-CYBMUJFWSA-N 0 0 345.374 3.465 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2cccs2)Cc2ccncc2)nc1 ZINC001187880314 1388182583 /nfs/dbraw/zinc/18/25/83/1388182583.db2.gz DCPFNOCCQFUXAF-UHFFFAOYSA-N 0 0 327.369 3.048 10 5 EGBERN CO[C@@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001187889903 1388184187 /nfs/dbraw/zinc/18/41/87/1388184187.db2.gz ZXOZNOCMXBCQBJ-ZWKOTPCHSA-N 0 0 340.379 3.439 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OCc1[nH]cnc1C(F)(F)F ZINC001123042210 1372368148 /nfs/dbraw/zinc/36/81/48/1372368148.db2.gz BYNFQTWHJLNVAR-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)/C(C)=C\c1ccc(Br)o1 ZINC001123256858 1372408577 /nfs/dbraw/zinc/40/85/77/1372408577.db2.gz QOACEVKXPGEBOR-JGAIRUGNSA-N 0 0 332.150 3.044 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(F)F ZINC001123570503 1372511279 /nfs/dbraw/zinc/51/12/79/1372511279.db2.gz XYJJPDIMMBLALZ-AWEZNQCLSA-N 0 0 341.358 3.357 10 5 EGBERN C[C@@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC001123622859 1372528461 /nfs/dbraw/zinc/52/84/61/1372528461.db2.gz HKIJJDKSPSTHQY-MZMPZRCHSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCc2ccccc21 ZINC001124203236 1372683315 /nfs/dbraw/zinc/68/33/15/1372683315.db2.gz ZMEPRBWGRUUGSF-UHFFFAOYSA-N 0 0 348.362 3.374 10 5 EGBERN COc1cccc2c1[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 ZINC001124332010 1372692598 /nfs/dbraw/zinc/69/25/98/1372692598.db2.gz PHDDAIOFOPWFSA-GFCCVEGCSA-N 0 0 330.315 3.411 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001124406482 1372699221 /nfs/dbraw/zinc/69/92/21/1372699221.db2.gz RQOISUFSSFCEGL-CABCVRRESA-N 0 0 327.296 3.245 10 5 EGBERN COc1cccc([C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001124936271 1372741839 /nfs/dbraw/zinc/74/18/39/1372741839.db2.gz LSYJEMVXPOZQOT-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001125150028 1372756966 /nfs/dbraw/zinc/75/69/66/1372756966.db2.gz MIZNXFPFRXNOLK-LBPRGKRZSA-N 0 0 344.298 3.074 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(F)cc2)no1 ZINC001125155924 1372757222 /nfs/dbraw/zinc/75/72/22/1372757222.db2.gz PYYLITVLBOQEBA-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1c(F)cccc1F ZINC001125164842 1372757545 /nfs/dbraw/zinc/75/75/45/1372757545.db2.gz ZRJPCPZFVNTFDY-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001125181581 1372758817 /nfs/dbraw/zinc/75/88/17/1372758817.db2.gz AMDUNGDOJCIUHC-TUKIKUTGSA-N 0 0 348.399 3.140 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])cc1F ZINC001125356706 1372774817 /nfs/dbraw/zinc/77/48/17/1372774817.db2.gz QNWYOQRZJDQNBZ-CQSZACIVSA-N 0 0 348.305 3.299 10 5 EGBERN O=C(COC(=O)C1CCC(C2CC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC001125799539 1372859671 /nfs/dbraw/zinc/85/96/71/1372859671.db2.gz QZUZAOHDCFACSW-UHFFFAOYSA-N 0 0 346.383 3.293 10 5 EGBERN C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001126125946 1372939340 /nfs/dbraw/zinc/93/93/40/1372939340.db2.gz GIGMXPDPLJHMAK-NWDGAFQWSA-N 0 0 334.372 3.270 10 5 EGBERN COc1cc(C(=O)OCc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC001126319604 1372956884 /nfs/dbraw/zinc/95/68/84/1372956884.db2.gz XRJPTFKOENXEMS-UHFFFAOYSA-N 0 0 340.694 3.148 10 5 EGBERN CO[C@@]1(C)C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001126448043 1372966489 /nfs/dbraw/zinc/96/64/89/1372966489.db2.gz CBJAJAANVVRTHT-YJBOKZPZSA-N 0 0 349.431 3.059 10 5 EGBERN COc1cc(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(Cl)c1 ZINC001126708072 1373002949 /nfs/dbraw/zinc/00/29/49/1373002949.db2.gz XMVIUQCGYUUKSK-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)o1 ZINC001126830158 1373037987 /nfs/dbraw/zinc/03/79/87/1373037987.db2.gz MFRWBFSOHLINRL-UHFFFAOYSA-N 0 0 344.371 3.388 10 5 EGBERN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1(C)C ZINC001126844221 1373040212 /nfs/dbraw/zinc/04/02/12/1373040212.db2.gz LOWHQOPEMKIXLH-JKSUJKDBSA-N 0 0 349.431 3.354 10 5 EGBERN Cc1cnccc1/C=C\C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001126919195 1373051672 /nfs/dbraw/zinc/05/16/72/1373051672.db2.gz OQNFAVZPBNCTAG-WTKPLQERSA-N 0 0 325.368 3.363 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1-n1cccn1 ZINC001127272286 1373111112 /nfs/dbraw/zinc/11/11/12/1373111112.db2.gz LXMALVHNRUZOKA-UHFFFAOYSA-N 0 0 345.261 3.278 10 5 EGBERN COC(=O)c1coc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001127413273 1373125161 /nfs/dbraw/zinc/12/51/61/1373125161.db2.gz RKLJYDKZLMJPKZ-XQRVVYSFSA-N 0 0 345.307 3.039 10 5 EGBERN CCn1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC001127461913 1373128831 /nfs/dbraw/zinc/12/88/31/1373128831.db2.gz UZZQANRVLYQOSX-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN CCn1cc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001127487509 1373130766 /nfs/dbraw/zinc/13/07/66/1373130766.db2.gz PYJXQIYKFHJRKO-UHFFFAOYSA-N 0 0 337.763 3.008 10 5 EGBERN C/C(=C\c1cccnc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001127498094 1373132519 /nfs/dbraw/zinc/13/25/19/1373132519.db2.gz YCFKAYNOOPOZGS-FMIVXFBMSA-N 0 0 345.786 3.405 10 5 EGBERN CC[C@@H](C)c1ccc(COC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001127555763 1373138837 /nfs/dbraw/zinc/13/88/37/1373138837.db2.gz TWMXTIYANNVYEL-GFCCVEGCSA-N 0 0 331.372 3.357 10 5 EGBERN O=C(c1nccc2cccnc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127660527 1373155354 /nfs/dbraw/zinc/15/53/54/1373155354.db2.gz JAUFFGNISSTQFQ-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN CC[C@H](NC(=O)c1ccc2cccnc2n1)c1cccc([N+](=O)[O-])c1 ZINC001127680884 1373158877 /nfs/dbraw/zinc/15/88/77/1373158877.db2.gz GPWKMPUPGHDNGS-HNNXBMFYSA-N 0 0 336.351 3.419 10 5 EGBERN O=C(Oc1ccc2nccnc2c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001127694847 1373162582 /nfs/dbraw/zinc/16/25/82/1373162582.db2.gz KIONHQHUPGLTEU-HUUCEWRRSA-N 0 0 335.319 3.247 10 5 EGBERN CN(C)c1ccc(COC(=O)C(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC001128002009 1373207931 /nfs/dbraw/zinc/20/79/31/1373207931.db2.gz AQZHQIDWOQFPJE-UHFFFAOYSA-N 0 0 330.331 3.385 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccn2)C(C)(C)C)c1 ZINC001128143311 1373222861 /nfs/dbraw/zinc/22/28/61/1373222861.db2.gz FNYOAQALNYOMNI-UHFFFAOYSA-N 0 0 343.383 3.439 10 5 EGBERN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128320825 1373251380 /nfs/dbraw/zinc/25/13/80/1373251380.db2.gz JBLQAVONYMJFTF-MRVPVSSYSA-N 0 0 340.792 3.101 10 5 EGBERN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC001128479538 1373275260 /nfs/dbraw/zinc/27/52/60/1373275260.db2.gz JIHBAJDCHFTBMD-UHFFFAOYSA-N 0 0 337.788 3.398 10 5 EGBERN Cc1ccnc(C)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001128717681 1373304849 /nfs/dbraw/zinc/30/48/49/1373304849.db2.gz WKTLYIKTQKFHOS-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc(COC(=O)[C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC001129134802 1373350391 /nfs/dbraw/zinc/35/03/91/1373350391.db2.gz GPOIIJZRSQTSDK-CQSZACIVSA-N 0 0 345.326 3.337 10 5 EGBERN CC1(C)C(=O)Nc2ccccc2N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001129152794 1373353909 /nfs/dbraw/zinc/35/39/09/1373353909.db2.gz KSCXFKYXWHJGRS-UHFFFAOYSA-N 0 0 343.314 3.111 10 5 EGBERN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215646 1373362228 /nfs/dbraw/zinc/36/22/28/1373362228.db2.gz ZLKCDFPBBFOZPL-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN C[C@@H]1C[C@@H]1N(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001129642347 1373406452 /nfs/dbraw/zinc/40/64/52/1373406452.db2.gz BJPKIVXFIIJOJJ-DYVFJYSZSA-N 0 0 326.352 3.415 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001129655128 1373408274 /nfs/dbraw/zinc/40/82/74/1373408274.db2.gz HJOFGFMMAMYGQZ-CMPLNLGQSA-N 0 0 341.205 3.440 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC001129722123 1373416799 /nfs/dbraw/zinc/41/67/99/1373416799.db2.gz UKAWOBWYZNDYLP-ZFWWWQNUSA-N 0 0 331.416 3.217 10 5 EGBERN Cc1cc(OCC(=O)Oc2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC001130346979 1373499279 /nfs/dbraw/zinc/49/92/79/1373499279.db2.gz XJFGNZJTIWMQJA-UHFFFAOYSA-N 0 0 343.335 3.213 10 5 EGBERN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC001130445025 1373543653 /nfs/dbraw/zinc/54/36/53/1373543653.db2.gz XISYJZQBLVGPNJ-UHFFFAOYSA-N 0 0 335.341 3.160 10 5 EGBERN CC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1C ZINC001130450075 1373544641 /nfs/dbraw/zinc/54/46/41/1373544641.db2.gz PFJYTRGFHNYANW-UHFFFAOYSA-N 0 0 341.367 3.424 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc2C1 ZINC001130758730 1373588542 /nfs/dbraw/zinc/58/85/42/1373588542.db2.gz LWBLYMXLPWEDHR-CQSZACIVSA-N 0 0 349.346 3.333 10 5 EGBERN C[C@@H](C(=O)Nc1cnc2ccccn12)c1ccc([N+](=O)[O-])cc1F ZINC001130858661 1373598664 /nfs/dbraw/zinc/59/86/64/1373598664.db2.gz FCPKMLFRFHOBTA-SNVBAGLBSA-N 0 0 328.303 3.124 10 5 EGBERN CCn1nc(C)c(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1C ZINC001130957104 1373615579 /nfs/dbraw/zinc/61/55/79/1373615579.db2.gz LYPWBFSKTKBNDC-UHFFFAOYSA-N 0 0 339.355 3.229 10 5 EGBERN CCOc1cc(NC(=O)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001130997176 1373621598 /nfs/dbraw/zinc/62/15/98/1373621598.db2.gz AGCJSJZKWSIDTO-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN Cc1ccc(F)c(CC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001131052047 1373633183 /nfs/dbraw/zinc/63/31/83/1373633183.db2.gz UCVDRWLLADSHJR-UHFFFAOYSA-N 0 0 334.259 3.099 10 5 EGBERN C[C@H]1Cc2cc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2O1 ZINC001131052018 1373633368 /nfs/dbraw/zinc/63/33/68/1373633368.db2.gz TVBZRGNVFTUIQZ-VIFPVBQESA-N 0 0 344.279 3.046 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCS[C@H]1C(F)(F)F ZINC001131149919 1373652801 /nfs/dbraw/zinc/65/28/01/1373652801.db2.gz OXFYUICZXYIXLM-JTQLQIEISA-N 0 0 340.710 3.326 10 5 EGBERN Cc1ncsc1CCC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251200 1373669301 /nfs/dbraw/zinc/66/93/01/1373669301.db2.gz XLANSEAPSXGFIZ-UHFFFAOYSA-N 0 0 342.380 3.479 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)CO2 ZINC001131528520 1373715875 /nfs/dbraw/zinc/71/58/75/1373715875.db2.gz JJMMGFNHCPMUEG-GFCCVEGCSA-N 0 0 344.342 3.084 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2nsnc21 ZINC001131785366 1373805266 /nfs/dbraw/zinc/80/52/66/1373805266.db2.gz RCKDKWVRZKQTJR-RMKNXTFCSA-N 0 0 326.337 3.251 10 5 EGBERN Cc1sc2nc(SCc3cccnc3[N+](=O)[O-])nc(N)c2c1C ZINC001188621419 1388346262 /nfs/dbraw/zinc/34/62/62/1388346262.db2.gz XDORAZGJHLAMJG-UHFFFAOYSA-N 0 0 347.425 3.486 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc(N(C)C)c2)c1 ZINC001132001666 1375093031 /nfs/dbraw/zinc/09/30/31/1375093031.db2.gz DLZGISICNOINCZ-UHFFFAOYSA-N 0 0 332.385 3.030 10 5 EGBERN Cc1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001132611345 1375485207 /nfs/dbraw/zinc/48/52/07/1375485207.db2.gz VQRHPJUAXSPZQC-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1c(F)ccc(F)c1Cl ZINC001132750334 1375546316 /nfs/dbraw/zinc/54/63/16/1375546316.db2.gz FZJKPYRHGQTOHZ-UHFFFAOYSA-N 0 0 343.673 3.182 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1-c1ccccc1 ZINC001132838099 1375592982 /nfs/dbraw/zinc/59/29/82/1375592982.db2.gz XJYGESMQVVWBHP-UHFFFAOYSA-N 0 0 349.346 3.340 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC001228724205 1375652937 /nfs/dbraw/zinc/65/29/37/1375652937.db2.gz ZTDMAAWXSRNXHE-HEHGZKQESA-N 0 0 337.420 3.059 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CC/C=C\c1ccccc1 ZINC001132959269 1375674239 /nfs/dbraw/zinc/67/42/39/1375674239.db2.gz DAVFEQGLRHCMAQ-UITAMQMPSA-N 0 0 327.340 3.431 10 5 EGBERN Cn1cnc(CSc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001188869645 1388395436 /nfs/dbraw/zinc/39/54/36/1388395436.db2.gz HCGBEDVCQSGRAP-UHFFFAOYSA-N 0 0 328.191 3.383 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2nn(C)cc2Cl)cc1Cl ZINC001133051339 1375743119 /nfs/dbraw/zinc/74/31/19/1375743119.db2.gz RAVDTNNNNPZCLB-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN COc1cc(OCC(=O)N(C)C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001133467983 1376025373 /nfs/dbraw/zinc/02/53/73/1376025373.db2.gz SHOJEFVVNYKQRF-LBPRGKRZSA-N 0 0 338.404 3.123 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC001133480086 1376033079 /nfs/dbraw/zinc/03/30/79/1376033079.db2.gz NDZOHVNUTZPWGK-CJNGLKHVSA-N 0 0 330.315 3.105 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001133520197 1376054538 /nfs/dbraw/zinc/05/45/38/1376054538.db2.gz KPRHXIVIOGHIEM-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001133701483 1376165687 /nfs/dbraw/zinc/16/56/87/1376165687.db2.gz FJAAIJCKFJCGSH-UKRRQHHQSA-N 0 0 330.315 3.105 10 5 EGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC1CCC2(CC2)CC1 ZINC001188996859 1388430987 /nfs/dbraw/zinc/43/09/87/1388430987.db2.gz XXHJJRYTECBKQW-UHFFFAOYSA-N 0 0 329.356 3.382 10 5 EGBERN C[S@](=O)(=NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001133994492 1376301533 /nfs/dbraw/zinc/30/15/33/1376301533.db2.gz GRDVWBNXENCNEP-JYLQPTBZSA-N 0 0 330.365 3.292 10 5 EGBERN CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134358088 1376493177 /nfs/dbraw/zinc/49/31/77/1376493177.db2.gz MIYVDCBEZRIWCS-LLVKDONJSA-N 0 0 333.388 3.239 10 5 EGBERN C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC001134502121 1376571965 /nfs/dbraw/zinc/57/19/65/1376571965.db2.gz SEIUITNUGUBXQQ-OLZOCXBDSA-N 0 0 340.379 3.452 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cnc(F)c(F)c1 ZINC001135104505 1376901704 /nfs/dbraw/zinc/90/17/04/1376901704.db2.gz NEPUISUYNTULDQ-UHFFFAOYSA-N 0 0 345.664 3.242 10 5 EGBERN Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001135146106 1376933378 /nfs/dbraw/zinc/93/33/78/1376933378.db2.gz BSTYCFNULWSAHJ-HNNXBMFYSA-N 0 0 349.431 3.419 10 5 EGBERN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001135504504 1377121619 /nfs/dbraw/zinc/12/16/19/1377121619.db2.gz NVYNWJHIKPGJIY-CQSZACIVSA-N 0 0 349.387 3.227 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cc(C)ccc1F ZINC001135883330 1377249640 /nfs/dbraw/zinc/24/96/40/1377249640.db2.gz HKJNQWAYWQLBNI-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN CC[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001135957598 1377276034 /nfs/dbraw/zinc/27/60/34/1377276034.db2.gz MCQWYHKLDYLDIU-LBPRGKRZSA-N 0 0 334.763 3.107 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3ccncc3)o2)ccc1OC(F)F ZINC001327307437 1388493211 /nfs/dbraw/zinc/49/32/11/1388493211.db2.gz YHAFULUQIGUUSL-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN O=Cc1c[nH]c2cc(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccc12 ZINC001137107259 1377479812 /nfs/dbraw/zinc/47/98/12/1377479812.db2.gz KRQYBJMJEIKGAT-UHFFFAOYSA-N 0 0 335.319 3.045 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC001137313160 1377514653 /nfs/dbraw/zinc/51/46/53/1377514653.db2.gz RJFGLHKEMCKAGN-LBPRGKRZSA-N 0 0 344.342 3.434 10 5 EGBERN C[C@@H]1C[C@@H](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001139605148 1377916216 /nfs/dbraw/zinc/91/62/16/1377916216.db2.gz GNZRMYZBFSQECV-VXGBXAGGSA-N 0 0 334.420 3.154 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCCO[C@H]1CC1(F)F ZINC001327465794 1388526841 /nfs/dbraw/zinc/52/68/41/1388526841.db2.gz DNTBQONTEVODAY-NSHDSACASA-N 0 0 329.299 3.101 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001140891126 1378171037 /nfs/dbraw/zinc/17/10/37/1378171037.db2.gz JFKPLDAPHIJDMX-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1cc(C(=O)Nc2cc3cc[nH]c3cn2)cc([N+](=O)[O-])c1C ZINC001277618122 1378238450 /nfs/dbraw/zinc/23/84/50/1378238450.db2.gz XTUDNGKKPDNHND-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN O=C(Nc1cc(F)ccn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001278563725 1378282337 /nfs/dbraw/zinc/28/23/37/1378282337.db2.gz ADWXJKQCEZLHQQ-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)=O)c(O)c1 ZINC001141720263 1378365541 /nfs/dbraw/zinc/36/55/41/1378365541.db2.gz GALNJBQASSFAQI-UHFFFAOYSA-N 0 0 344.323 3.154 10 5 EGBERN CCCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C)o1 ZINC001142507383 1378449783 /nfs/dbraw/zinc/44/97/83/1378449783.db2.gz WSKDGRIHPWZXJB-LBPRGKRZSA-N 0 0 346.387 3.477 10 5 EGBERN O=C(NCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001142520774 1378452345 /nfs/dbraw/zinc/45/23/45/1378452345.db2.gz VURGHZVZWQUTRB-UHFFFAOYSA-N 0 0 344.758 3.028 10 5 EGBERN O=C(CCc1ccccc1F)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143376821 1378588909 /nfs/dbraw/zinc/58/89/09/1378588909.db2.gz LMPOFGCOFOPNSM-UHFFFAOYSA-N 0 0 338.285 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)n1 ZINC001148139182 1379124274 /nfs/dbraw/zinc/12/42/74/1379124274.db2.gz JUKFIOXNGLPSNQ-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC001149370348 1379371058 /nfs/dbraw/zinc/37/10/58/1379371058.db2.gz BNKPTNAEXDJWAW-OAHLLOKOSA-N 0 0 340.379 3.369 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1ccccc1F ZINC001149726234 1379436905 /nfs/dbraw/zinc/43/69/05/1379436905.db2.gz RIPTVRPCOPRXFP-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccco1 ZINC001150938523 1379636319 /nfs/dbraw/zinc/63/63/19/1379636319.db2.gz GBXRSPAXDMYIDR-JTQLQIEISA-N 0 0 348.380 3.301 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Br)CO1 ZINC001327937674 1388627680 /nfs/dbraw/zinc/62/76/80/1388627680.db2.gz GBTIWWIYTSJYDU-VIFPVBQESA-N 0 0 344.161 3.082 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N(CC1CC1)c1cccc(F)c1 ZINC001151785444 1379779905 /nfs/dbraw/zinc/77/99/05/1379779905.db2.gz IVAGGIWRAIXFIH-UHFFFAOYSA-N 0 0 338.726 3.167 10 5 EGBERN COc1ccc(NC(=O)/C=C/c2ccc(C=O)cc2)cc1[N+](=O)[O-] ZINC001152086068 1379860324 /nfs/dbraw/zinc/86/03/24/1379860324.db2.gz WQCUYXRBNRWGKK-RMKNXTFCSA-N 0 0 326.308 3.068 10 5 EGBERN COc1cc(N2CCN(C(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001327957277 1388633258 /nfs/dbraw/zinc/63/32/58/1388633258.db2.gz NGXVLIUMKDZNOB-UHFFFAOYSA-N 0 0 327.812 3.177 10 5 EGBERN C/C(Cl)=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153488647 1380083984 /nfs/dbraw/zinc/08/39/84/1380083984.db2.gz FEHJNZRLTDAAQF-DAXSKMNVSA-N 0 0 333.569 3.116 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)n1cccn1 ZINC001328009177 1388644517 /nfs/dbraw/zinc/64/45/17/1388644517.db2.gz SEKUBNFUJRNCRF-UHFFFAOYSA-N 0 0 347.371 3.057 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC001328032057 1388649404 /nfs/dbraw/zinc/64/94/04/1388649404.db2.gz QMRUXQOKXDRQGM-UHFFFAOYSA-N 0 0 334.763 3.420 10 5 EGBERN O=C(NCc1cccc2nsnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001155001000 1380388698 /nfs/dbraw/zinc/38/86/98/1380388698.db2.gz NDMGXPJGRQZCGK-UHFFFAOYSA-N 0 0 348.771 3.183 10 5 EGBERN CCCCN(CC)c1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001155038364 1380396727 /nfs/dbraw/zinc/39/67/27/1380396727.db2.gz SWDYQSTWTJBOEY-UHFFFAOYSA-N 0 0 331.376 3.197 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328186915 1388686833 /nfs/dbraw/zinc/68/68/33/1388686833.db2.gz VOMDONLYXLDNIA-GUDFOSOFSA-N 0 0 341.314 3.159 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC001157653873 1380990351 /nfs/dbraw/zinc/99/03/51/1380990351.db2.gz WEIUXCSQHBRQMY-STQMWFEESA-N 0 0 332.404 3.092 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1 ZINC001287259620 1381158147 /nfs/dbraw/zinc/15/81/47/1381158147.db2.gz WEVKXHKAKWHCDS-UHFFFAOYSA-N 0 0 331.353 3.463 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001287964726 1381452017 /nfs/dbraw/zinc/45/20/17/1381452017.db2.gz LEDLQIQDCYOZFM-YJBOKZPZSA-N 0 0 328.343 3.404 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc2cccnn21 ZINC001287975254 1381459491 /nfs/dbraw/zinc/45/94/91/1381459491.db2.gz TWCLQMKAUVQQIR-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN Cc1cc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)cc([N+](=O)[O-])c1 ZINC001288645570 1381904899 /nfs/dbraw/zinc/90/48/99/1381904899.db2.gz URYWVXHARWWKSM-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN CCc1ccc(OCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001288749013 1381924197 /nfs/dbraw/zinc/92/41/97/1381924197.db2.gz QKTQBVWHOBHGOC-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001288787458 1381939774 /nfs/dbraw/zinc/93/97/74/1381939774.db2.gz DVZPSMKMJGNVNA-MLGOLLRUSA-N 0 0 348.305 3.244 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC001288796255 1381941069 /nfs/dbraw/zinc/94/10/69/1381941069.db2.gz XEQNIIWLEAVXTP-JTQLQIEISA-N 0 0 347.302 3.442 10 5 EGBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001289026818 1381973774 /nfs/dbraw/zinc/97/37/74/1381973774.db2.gz JZVAZKYBZMRFAF-QHCPKHFHSA-N 0 0 335.385 3.180 10 5 EGBERN Cc1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)cc1[N+](=O)[O-] ZINC001290430004 1382091121 /nfs/dbraw/zinc/09/11/21/1382091121.db2.gz ONBYKIHGGAPGAN-GOSISDBHSA-N 0 0 339.351 3.425 10 5 EGBERN O=C(Nc1cccc2[nH]c(=O)oc21)c1cccc([N+](=O)[O-])c1Cl ZINC001160718454 1382177605 /nfs/dbraw/zinc/17/76/05/1382177605.db2.gz UFHATKASBGXGFO-UHFFFAOYSA-N 0 0 333.687 3.347 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCO2 ZINC001292391363 1382187986 /nfs/dbraw/zinc/18/79/86/1382187986.db2.gz LEUNJZFOVDSZIV-UHFFFAOYSA-N 0 0 340.335 3.131 10 5 EGBERN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293407173 1382283533 /nfs/dbraw/zinc/28/35/33/1382283533.db2.gz FSFWZJCPVBNHBE-GUYCJALGSA-N 0 0 334.416 3.493 10 5 EGBERN CC[C@H](NC(=O)c1ccc2c(n1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC001161108434 1382299514 /nfs/dbraw/zinc/29/95/14/1382299514.db2.gz QOBZZPLCYKQSGU-AWEZNQCLSA-N 0 0 340.383 3.229 10 5 EGBERN CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001293869227 1382379728 /nfs/dbraw/zinc/37/97/28/1382379728.db2.gz HIVOJJKWIRHLJW-GFCCVEGCSA-N 0 0 336.779 3.489 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328614468 1388789547 /nfs/dbraw/zinc/78/95/47/1388789547.db2.gz DRNLXQXZRHYKHI-JLLWLGSASA-N 0 0 325.315 3.459 10 5 EGBERN CC1(c2ccccc2)CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001295134626 1382551386 /nfs/dbraw/zinc/55/13/86/1382551386.db2.gz KSDVJQPZFRVVKX-UHFFFAOYSA-N 0 0 348.790 3.165 10 5 EGBERN CC(C)COC[C@H](O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001162083738 1382623692 /nfs/dbraw/zinc/62/36/92/1382623692.db2.gz FFHVFPBXGBVVEO-SECBINFHSA-N 0 0 337.203 3.347 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)SC ZINC001295430217 1382639333 /nfs/dbraw/zinc/63/93/33/1382639333.db2.gz OSFLLGVBMGGAPR-LBPRGKRZSA-N 0 0 349.460 3.451 10 5 EGBERN Cc1cc(NCc2ccccc2[N+](=O)[O-])nc(-c2cccs2)n1 ZINC001162176737 1382649402 /nfs/dbraw/zinc/64/94/02/1382649402.db2.gz KJTGBPLPUABSQJ-UHFFFAOYSA-N 0 0 326.381 3.456 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCc1ccccc1O ZINC001162345148 1382735779 /nfs/dbraw/zinc/73/57/79/1382735779.db2.gz KAQZTSDRVQHVPM-UHFFFAOYSA-N 0 0 327.315 3.064 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 ZINC001295658887 1382763051 /nfs/dbraw/zinc/76/30/51/1382763051.db2.gz WVIINIXPCHPDRK-UHFFFAOYSA-N 0 0 329.381 3.289 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)c2ccccc21 ZINC001295704662 1382783842 /nfs/dbraw/zinc/78/38/42/1382783842.db2.gz AZWKPQSCZZLNDH-AWEZNQCLSA-N 0 0 342.376 3.374 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCCNc3ccccc3)c2c1 ZINC001162591476 1382802060 /nfs/dbraw/zinc/80/20/60/1382802060.db2.gz LEJRKFLVGOAEJY-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN CN(Cc1ncc(Cl)n1C)c1nccc2c1cccc2[N+](=O)[O-] ZINC001162921433 1382917405 /nfs/dbraw/zinc/91/74/05/1382917405.db2.gz AWOJNIPZRVYYQY-UHFFFAOYSA-N 0 0 331.763 3.166 10 5 EGBERN CCc1c(Nc2nc3ccccn3c2[N+](=O)[O-])cnn1CC(C)C ZINC001162979877 1382935484 /nfs/dbraw/zinc/93/54/84/1382935484.db2.gz RGNVKYNWQIJYAJ-UHFFFAOYSA-N 0 0 328.376 3.401 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCOCC(F)(F)C1 ZINC001163445199 1383053239 /nfs/dbraw/zinc/05/32/39/1383053239.db2.gz PGZMMPIWPBPARN-UHFFFAOYSA-N 0 0 343.717 3.268 10 5 EGBERN CN1C(=O)[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001163705163 1383110491 /nfs/dbraw/zinc/11/04/91/1383110491.db2.gz LKPHXQRROGBHHM-CYBMUJFWSA-N 0 0 331.759 3.248 10 5 EGBERN Cc1cc(C(=O)N[C@H](C(C)C)C2(CO)CCCC2)cc([N+](=O)[O-])c1 ZINC001163821066 1383125488 /nfs/dbraw/zinc/12/54/88/1383125488.db2.gz UEMPZUVHZKSGMR-MRXNPFEDSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(C2OCCO2)c1 ZINC001297463703 1383165921 /nfs/dbraw/zinc/16/59/21/1383165921.db2.gz HBHUVJLEYNBIGF-UHFFFAOYSA-N 0 0 346.314 3.340 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2c(C)cccc2C)n1 ZINC001164249156 1383171261 /nfs/dbraw/zinc/17/12/61/1383171261.db2.gz IQFYDACNSNWWRI-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN CC(C)Oc1nc(NC[C@H]2OCc3ccccc32)ccc1[N+](=O)[O-] ZINC001164371658 1383182066 /nfs/dbraw/zinc/18/20/66/1383182066.db2.gz FLBXBYDGSWCFEY-OAHLLOKOSA-N 0 0 329.356 3.460 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCc4cc(F)cc(F)c4C3)c2c1 ZINC001164393132 1383183792 /nfs/dbraw/zinc/18/37/92/1383183792.db2.gz FYJDMNVMDRPYAX-UHFFFAOYSA-N 0 0 342.305 3.379 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3cncc(C)c3)n2)c1 ZINC001165276308 1383264259 /nfs/dbraw/zinc/26/42/59/1383264259.db2.gz YUYLEVFHQXQJRP-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSc1nc(-c2ccccc2)c[nH]1 ZINC001165505360 1383304330 /nfs/dbraw/zinc/30/43/30/1383304330.db2.gz VTLQPSJCXALPBM-UHFFFAOYSA-N 0 0 329.385 3.282 10 5 EGBERN NC(=O)c1ccc(CCOc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC001165851096 1383352551 /nfs/dbraw/zinc/35/25/51/1383352551.db2.gz QYCDNZANUXWWEK-UHFFFAOYSA-N 0 0 336.347 3.468 10 5 EGBERN O=C(COc1ccc(F)cc1)COc1c(Cl)cccc1[N+](=O)[O-] ZINC001165856530 1383352897 /nfs/dbraw/zinc/35/28/97/1383352897.db2.gz MXZHZSQBMRXQDZ-UHFFFAOYSA-N 0 0 339.706 3.414 10 5 EGBERN O=C(COc1ccsc1[N+](=O)[O-])N1CCSc2ccccc21 ZINC001166202570 1383401641 /nfs/dbraw/zinc/40/16/41/1383401641.db2.gz OZSQDUBUGLDWAK-UHFFFAOYSA-N 0 0 336.394 3.174 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCC2 ZINC001166808514 1383480469 /nfs/dbraw/zinc/48/04/69/1383480469.db2.gz ZHVZWCOPGIFSQG-CABCVRRESA-N 0 0 347.415 3.033 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(C(=O)OC)sc2C)cc1[N+](=O)[O-] ZINC001299196434 1383482793 /nfs/dbraw/zinc/48/27/93/1383482793.db2.gz UKCBIZUNUQYWTM-UHFFFAOYSA-N 0 0 349.368 3.045 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001299341324 1383510374 /nfs/dbraw/zinc/51/03/74/1383510374.db2.gz UGTXZRGNOSSVHW-DGCLKSJQSA-N 0 0 344.770 3.465 10 5 EGBERN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001299825560 1383630562 /nfs/dbraw/zinc/63/05/62/1383630562.db2.gz YUOPNYMXQXAOOL-SWLSCSKDSA-N 0 0 331.416 3.465 10 5 EGBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001300206769 1383652295 /nfs/dbraw/zinc/65/22/95/1383652295.db2.gz QCAKYVAURAVWPH-VXGQWTEUSA-N 0 0 331.416 3.338 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CO2 ZINC001167629176 1383693293 /nfs/dbraw/zinc/69/32/93/1383693293.db2.gz BQVBIAMHAVUHCY-LBPRGKRZSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1ccc(CNC(=O)[C@H](O)C2CCCCCCC2)cc1[N+](=O)[O-] ZINC001302608124 1383761219 /nfs/dbraw/zinc/76/12/19/1383761219.db2.gz FEWDFYLZRNYGJV-QGZVFWFLSA-N 0 0 334.416 3.241 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccco2)on1)c1ccc([N+](=O)[O-])cc1 ZINC001303497856 1383801621 /nfs/dbraw/zinc/80/16/21/1383801621.db2.gz CMIQZBIIBALQKR-SNVBAGLBSA-N 0 0 327.296 3.334 10 5 EGBERN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)o2)cc1 ZINC001303571294 1383807411 /nfs/dbraw/zinc/80/74/11/1383807411.db2.gz IZJQFAQBOQEXOY-UHFFFAOYSA-N 0 0 340.295 3.033 10 5 EGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001304193564 1383838778 /nfs/dbraw/zinc/83/87/78/1383838778.db2.gz VOMMZGWVLVSVSX-JTQLQIEISA-N 0 0 347.302 3.176 10 5 EGBERN CCN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001306929529 1383922127 /nfs/dbraw/zinc/92/21/27/1383922127.db2.gz KPMBZVPGICVZDM-UHFFFAOYSA-N 0 0 333.775 3.374 10 5 EGBERN CCOC(=O)c1nccc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC001306968827 1383927865 /nfs/dbraw/zinc/92/78/65/1383927865.db2.gz CVYPKPUWKGSYLJ-UHFFFAOYSA-N 0 0 337.719 3.316 10 5 EGBERN CCC[C@@H](CCO)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001306979240 1383929228 /nfs/dbraw/zinc/92/92/28/1383929228.db2.gz NDDLUANWLUUPCE-JTQLQIEISA-N 0 0 344.795 3.245 10 5 EGBERN Cc1nc(C)c(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])s1 ZINC001306978060 1383929285 /nfs/dbraw/zinc/92/92/85/1383929285.db2.gz DUHXDVCFKHREPJ-UHFFFAOYSA-N 0 0 332.360 3.389 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001307001169 1383932307 /nfs/dbraw/zinc/93/23/07/1383932307.db2.gz OQQWLGBQGUKAQS-UHFFFAOYSA-N 0 0 343.126 3.239 10 5 EGBERN CC(C)Oc1nc(N2CCc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC001307075710 1383936689 /nfs/dbraw/zinc/93/66/89/1383936689.db2.gz VADITCVASGTSND-UHFFFAOYSA-N 0 0 331.347 3.479 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCc2c[nH]nc2C1 ZINC001307075385 1383937142 /nfs/dbraw/zinc/93/71/42/1383937142.db2.gz NHHYBVHMOAEDHI-UHFFFAOYSA-N 0 0 329.747 3.082 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC(C)(C)[C@@H](O)C(C)C)c2c1 ZINC001307087194 1383938125 /nfs/dbraw/zinc/93/81/25/1383938125.db2.gz IPMKTJQFRRSDQO-KRWDZBQOSA-N 0 0 347.415 3.029 10 5 EGBERN CCCN1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1=O ZINC001307095448 1383939448 /nfs/dbraw/zinc/93/94/48/1383939448.db2.gz XPYZQGNPYPIRTE-UHFFFAOYSA-N 0 0 345.321 3.062 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccco2)c2ccccc21 ZINC001307141604 1383944361 /nfs/dbraw/zinc/94/43/61/1383944361.db2.gz NITXHGLXMLJFFA-VXGBXAGGSA-N 0 0 325.324 3.008 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC001307138201 1383944465 /nfs/dbraw/zinc/94/44/65/1383944465.db2.gz WOUGZIAIIFFMPK-SWLSCSKDSA-N 0 0 329.331 3.062 10 5 EGBERN CN(Cc1ccc2c(c1)OC(F)(F)O2)c1ncc([N+](=O)[O-])cc1F ZINC001307153330 1383947012 /nfs/dbraw/zinc/94/70/12/1383947012.db2.gz MVLXUGXXRVAAAC-UHFFFAOYSA-N 0 0 341.245 3.087 10 5 EGBERN NC(=O)c1cc(Nc2ccc(O[C@@H]3CC3(F)F)cc2)ccc1[N+](=O)[O-] ZINC001307170276 1383949833 /nfs/dbraw/zinc/94/98/33/1383949833.db2.gz CUKBDIVCOYJWFV-CQSZACIVSA-N 0 0 349.293 3.224 10 5 EGBERN NC(=O)CC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC001307173695 1383950211 /nfs/dbraw/zinc/95/02/11/1383950211.db2.gz QMIXBQXAMVNAFI-UHFFFAOYSA-N 0 0 325.796 3.486 10 5 EGBERN CC(C)(C)OC(=O)N1CC(Sc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001307177449 1383951155 /nfs/dbraw/zinc/95/11/55/1383951155.db2.gz FGJFEXFUQBXOGX-UHFFFAOYSA-N 0 0 345.808 3.355 10 5 EGBERN Cc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001307189768 1383953532 /nfs/dbraw/zinc/95/35/32/1383953532.db2.gz OYYCPEGGQKBOSN-UHFFFAOYSA-N 0 0 339.311 3.367 10 5 EGBERN C[C@@H]1C[C@@]2(CC[C@H](CNc3ccc(Cl)cc3[N+](=O)[O-])O2)CO1 ZINC001307211405 1383958010 /nfs/dbraw/zinc/95/80/10/1383958010.db2.gz BPZVRVZGOPPUMV-HCKVZZMMSA-N 0 0 326.780 3.387 10 5 EGBERN COC(=O)c1cnc(N(C)Cc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC001307221079 1383959566 /nfs/dbraw/zinc/95/95/66/1383959566.db2.gz QDFNWEITEIQYRJ-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN CCOC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001307222023 1383959686 /nfs/dbraw/zinc/95/96/86/1383959686.db2.gz HBTPBVRNYPQASO-VIFPVBQESA-N 0 0 332.278 3.003 10 5 EGBERN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC001307223479 1383960147 /nfs/dbraw/zinc/96/01/47/1383960147.db2.gz PWAGJNNGXHBFPJ-OAHLLOKOSA-N 0 0 341.433 3.390 10 5 EGBERN COc1ccccc1N1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC001307231443 1383962133 /nfs/dbraw/zinc/96/21/33/1383962133.db2.gz NIDUOQRPBCTAKU-UHFFFAOYSA-N 0 0 333.413 3.382 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c(Cl)c1 ZINC001307258204 1383964823 /nfs/dbraw/zinc/96/48/23/1383964823.db2.gz ZVQIDPZTSHSUQG-DOMZBBRYSA-N 0 0 327.764 3.355 10 5 EGBERN COC(=O)c1ccc(COc2ncc(C)cc2[N+](=O)[O-])cc1Cl ZINC001307310297 1383969701 /nfs/dbraw/zinc/96/97/01/1383969701.db2.gz PVQXVGHGBMJYJX-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1C[C@H]1CC2CCC1CC2 ZINC001307318359 1383970555 /nfs/dbraw/zinc/97/05/55/1383970555.db2.gz FANJKAUHTMNGGI-VQXHTEKXSA-N 0 0 341.205 3.345 10 5 EGBERN Cc1noc(COc2cc(F)c([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-] ZINC001307342201 1383974226 /nfs/dbraw/zinc/97/42/26/1383974226.db2.gz RLASQUGULRRGRU-UHFFFAOYSA-N 0 0 331.643 3.171 10 5 EGBERN CCc1oc(C(=O)OC)cc1CN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001168785229 1384004462 /nfs/dbraw/zinc/00/44/62/1384004462.db2.gz IZEVYJOFWLECHY-UHFFFAOYSA-N 0 0 344.367 3.408 10 5 EGBERN Cc1ccc(CNC(=O)N2CCc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC001313154798 1384400015 /nfs/dbraw/zinc/40/00/15/1384400015.db2.gz GTRUCMCACLOJQR-UHFFFAOYSA-N 0 0 339.395 3.480 10 5 EGBERN CN(CCNC(=O)c1ccsc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001316594361 1384463377 /nfs/dbraw/zinc/46/33/77/1384463377.db2.gz BUJYMPGTQHLEJL-UHFFFAOYSA-N 0 0 339.804 3.176 10 5 EGBERN Cc1ccc(O)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001171489839 1384539984 /nfs/dbraw/zinc/53/99/84/1384539984.db2.gz NFRGOYDKUQSVJF-UHFFFAOYSA-N 0 0 339.710 3.236 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001317468012 1385161709 /nfs/dbraw/zinc/16/17/09/1385161709.db2.gz NPEWVXYBTBDVSK-JCNLHEQBSA-N 0 0 347.459 3.359 10 5 EGBERN CCN(CCNC(=O)CC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317476252 1385172483 /nfs/dbraw/zinc/17/24/83/1385172483.db2.gz UNMXBCUSYFGNRP-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)c2ccccc21 ZINC001318398402 1385671415 /nfs/dbraw/zinc/67/14/15/1385671415.db2.gz SMIJKBUNXYKTPY-UHFFFAOYSA-N 0 0 325.368 3.390 10 5 EGBERN COC(=O)c1ccc(C)c2c1CCCN2Cc1cccnc1[N+](=O)[O-] ZINC001176909270 1385739093 /nfs/dbraw/zinc/73/90/93/1385739093.db2.gz RACOCNMXYYRJCP-UHFFFAOYSA-N 0 0 341.367 3.038 10 5 EGBERN C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CCOc2ccccc21 ZINC001178745178 1386293058 /nfs/dbraw/zinc/29/30/58/1386293058.db2.gz IAZUGWKLWBRTBI-KRWDZBQOSA-N 0 0 330.315 3.162 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H]1c2ccccc2OC[C@@H]1C ZINC001320242784 1386561921 /nfs/dbraw/zinc/56/19/21/1386561921.db2.gz SPGBDNXNTCKXPM-MGPLVRAMSA-N 0 0 328.324 3.225 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)nc(C)c1 ZINC001320372404 1386591217 /nfs/dbraw/zinc/59/12/17/1386591217.db2.gz LQOHHVCBDPLLJK-OAHLLOKOSA-N 0 0 327.384 3.236 10 5 EGBERN Cc1ccc2n[nH]nc2c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001180751877 1386871070 /nfs/dbraw/zinc/87/10/70/1386871070.db2.gz BJIWBMRIUCAYAE-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN Cc1cc(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC001181021907 1386918039 /nfs/dbraw/zinc/91/80/39/1386918039.db2.gz KSOBAFWFZKUKAP-ZDUSSCGKSA-N 0 0 347.337 3.408 10 5 EGBERN Cc1cc(NC(=O)c2noc(-c3cccc(F)c3)n2)cc([N+](=O)[O-])c1 ZINC001181021606 1386918245 /nfs/dbraw/zinc/91/82/45/1386918245.db2.gz GPISIURAVRTMCX-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3c(=O)cc[nH]c3c2)c1 ZINC001337559770 1389386239 /nfs/dbraw/zinc/38/62/39/1389386239.db2.gz DHGQMKQQCXRCGD-UHFFFAOYSA-N 0 0 340.291 3.015 10 5 EGBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1([C@H]2CCCCO2)CCC1 ZINC001330354323 1389396375 /nfs/dbraw/zinc/39/63/75/1389396375.db2.gz LFWKKKPYVSGLSS-MRXNPFEDSA-N 0 0 330.384 3.176 10 5 EGBERN Cc1cc(F)cc(C(=O)NC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001331547295 1389794925 /nfs/dbraw/zinc/79/49/25/1389794925.db2.gz HVXWVVHNGARNDS-CYBMUJFWSA-N 0 0 336.363 3.121 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001332003690 1389941266 /nfs/dbraw/zinc/94/12/66/1389941266.db2.gz GXEPEOSGQJMNLK-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC001332913380 1390215303 /nfs/dbraw/zinc/21/53/03/1390215303.db2.gz SBUNPFKTDZGEAD-YPMHNXCESA-N 0 0 337.445 3.413 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001341382758 1390479556 /nfs/dbraw/zinc/47/95/56/1390479556.db2.gz IHZOCXOOTBNZLX-OAHLLOKOSA-N 0 0 345.786 3.215 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC(C)(C)CO2)c1 ZINC001334281265 1390511351 /nfs/dbraw/zinc/51/13/51/1390511351.db2.gz OHNGVYIYWOEWAO-LLVKDONJSA-N 0 0 338.429 3.252 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001334552434 1390556216 /nfs/dbraw/zinc/55/62/16/1390556216.db2.gz AHXBPRRTRHSPGE-UHFFFAOYSA-N 0 0 333.294 3.061 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(C)C)[nH]1 ZINC001342637392 1390634901 /nfs/dbraw/zinc/63/49/01/1390634901.db2.gz QDIMWPUVDZLJKT-GFCCVEGCSA-N 0 0 331.376 3.044 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)c2c1 ZINC001335088380 1390640611 /nfs/dbraw/zinc/64/06/11/1390640611.db2.gz BSCSCGBAKYTLRX-UMNHJUIQSA-N 0 0 346.774 3.194 10 5 EGBERN Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)n1 ZINC001335428465 1390683843 /nfs/dbraw/zinc/68/38/43/1390683843.db2.gz LIQWBTFKHVRPGJ-UHFFFAOYSA-N 0 0 340.383 3.225 10 5 EGBERN Cc1cncc(CCOC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001343997767 1390749177 /nfs/dbraw/zinc/74/91/77/1390749177.db2.gz AEFCAAUJHBMBLG-UHFFFAOYSA-N 0 0 349.774 3.065 10 5 EGBERN O=C(OC[C@@]12CCC[C@@H]1OCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001344316318 1390781420 /nfs/dbraw/zinc/78/14/20/1390781420.db2.gz XUZREAJUBVFJJA-YOEHRIQHSA-N 0 0 330.340 3.192 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@]12CCC[C@H]1OCC2 ZINC001344838562 1390818352 /nfs/dbraw/zinc/81/83/52/1390818352.db2.gz JNPCGGWBTANKFX-WBVHZDCISA-N 0 0 337.347 3.169 10 5 EGBERN O=C(/C=C/c1ccc(Cl)cc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001345158345 1390842146 /nfs/dbraw/zinc/84/21/46/1390842146.db2.gz AVFLDXCTQWFVCM-ZZXKWVIFSA-N 0 0 347.758 3.405 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001345487806 1390862092 /nfs/dbraw/zinc/86/20/92/1390862092.db2.gz BNWHXEYCXBWBCS-BBRMVZONSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc(C)cc(CN(C)c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)c1 ZINC001345785179 1390884839 /nfs/dbraw/zinc/88/48/39/1390884839.db2.gz URIMGRMZESJZFE-CQSZACIVSA-N 0 0 343.431 3.279 10 5 EGBERN Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001346065497 1390904812 /nfs/dbraw/zinc/90/48/12/1390904812.db2.gz MGFYLNSMQPJVPH-WBVHZDCISA-N 0 0 347.415 3.146 10 5 EGBERN O=C(OCCCC1OCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001346437728 1390937694 /nfs/dbraw/zinc/93/76/94/1390937694.db2.gz RNTYROPPDHDKSR-UHFFFAOYSA-N 0 0 331.324 3.058 10 5 EGBERN CO[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[C@H]1C ZINC001347231040 1391034342 /nfs/dbraw/zinc/03/43/42/1391034342.db2.gz JWQJHMAXCKUDQP-RNCFNFMXSA-N 0 0 336.779 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(N)=O)ccc2Cl)c1C ZINC001347686216 1391111349 /nfs/dbraw/zinc/11/13/49/1391111349.db2.gz XQWJNZVLTTWCQJ-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CN(OCC(F)(F)F)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001348134859 1391177550 /nfs/dbraw/zinc/17/75/50/1391177550.db2.gz QULGVEIYPTXBTL-UHFFFAOYSA-N 0 0 336.657 3.122 10 5 EGBERN O=C(Cc1cccc2ncccc12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001348437867 1391219294 /nfs/dbraw/zinc/21/92/94/1391219294.db2.gz BBUHZIQGPRQENR-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc2c1OCC2(C)C ZINC001348477810 1391225939 /nfs/dbraw/zinc/22/59/39/1391225939.db2.gz WQMIOWRAKNDGMB-UHFFFAOYSA-N 0 0 343.335 3.493 10 5 EGBERN C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC001348967168 1391290574 /nfs/dbraw/zinc/29/05/74/1391290574.db2.gz ILBCYGRHLWHHRQ-LJQANCHMSA-N 0 0 339.395 3.027 10 5 EGBERN COCC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001349100093 1391302318 /nfs/dbraw/zinc/30/23/18/1391302318.db2.gz WRTRFNYZDYDPDZ-HNNXBMFYSA-N 0 0 349.774 3.151 10 5 EGBERN O=C(c1c(F)ccc2ccncc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349435268 1391330451 /nfs/dbraw/zinc/33/04/51/1391330451.db2.gz UTPYCSZVGBYNRA-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001349607743 1391344656 /nfs/dbraw/zinc/34/46/56/1391344656.db2.gz JEIVKHALDLBFCO-AWEZNQCLSA-N 0 0 349.774 3.374 10 5 EGBERN O=C(OCc1c(F)cncc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349770622 1391364799 /nfs/dbraw/zinc/36/47/99/1391364799.db2.gz XJPQXPMGOWSEOF-NEPJUHHUSA-N 0 0 334.278 3.115 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001349910601 1391384000 /nfs/dbraw/zinc/38/40/00/1391384000.db2.gz LKPLGMKOEWZJEJ-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001349939891 1391388529 /nfs/dbraw/zinc/38/85/29/1391388529.db2.gz GBWGOBAUPSKLLV-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN CN(C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC001350386978 1391456764 /nfs/dbraw/zinc/45/67/64/1391456764.db2.gz HCMZSGMIMWKIRJ-UHFFFAOYSA-N 0 0 338.726 3.101 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001350627940 1391493663 /nfs/dbraw/zinc/49/36/63/1391493663.db2.gz DHUBVDMIGVCGSH-HNNXBMFYSA-N 0 0 348.305 3.311 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001350940566 1391564440 /nfs/dbraw/zinc/56/44/40/1391564440.db2.gz CSAMWEMWPKIVEV-CABCVRRESA-N 0 0 340.379 3.212 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001350966364 1391569485 /nfs/dbraw/zinc/56/94/85/1391569485.db2.gz ASWDUJLYLOUQIN-BPUTZDHNSA-N 0 0 347.415 3.175 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@]12CCCOC2 ZINC001351125719 1391600986 /nfs/dbraw/zinc/60/09/86/1391600986.db2.gz CDEFOBRDEMILMZ-MRXNPFEDSA-N 0 0 338.791 3.424 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@]12CCCOC2 ZINC001351125717 1391601153 /nfs/dbraw/zinc/60/11/53/1391601153.db2.gz CDEFOBRDEMILMZ-INIZCTEOSA-N 0 0 338.791 3.424 10 5 EGBERN O=C(c1ccnc(-c2ccco2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351152361 1391605307 /nfs/dbraw/zinc/60/53/07/1391605307.db2.gz BVVVFUUNNAIMHV-UHFFFAOYSA-N 0 0 335.319 3.453 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2ccc(Cl)cc21 ZINC001351284307 1391620867 /nfs/dbraw/zinc/62/08/67/1391620867.db2.gz XAVVQMJQNHWRRE-MRXNPFEDSA-N 0 0 330.771 3.247 10 5 EGBERN Cn1nc(-c2ccccc2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001351313220 1391625175 /nfs/dbraw/zinc/62/51/75/1391625175.db2.gz WYWJVRQLZPHJMQ-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC001351387418 1391635158 /nfs/dbraw/zinc/63/51/58/1391635158.db2.gz CJZAADMYVNVYKO-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1cc(-c2nc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)co2)ccn1 ZINC001351683881 1391670104 /nfs/dbraw/zinc/67/01/04/1391670104.db2.gz MMFIYMUNKRNQGO-UHFFFAOYSA-N 0 0 338.323 3.230 10 5 EGBERN CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCCCCC1 ZINC001351696270 1391673273 /nfs/dbraw/zinc/67/32/73/1391673273.db2.gz JFLDKLMYRLPHQE-QGZVFWFLSA-N 0 0 345.399 3.269 10 5 EGBERN CC(=O)N(C)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001351989222 1391740108 /nfs/dbraw/zinc/74/01/08/1391740108.db2.gz HPGVHJAWDMRVEG-UHFFFAOYSA-N 0 0 345.330 3.277 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001352034245 1391748769 /nfs/dbraw/zinc/74/87/69/1391748769.db2.gz FABDKXCDEXRCIG-IAGOWNOFSA-N 0 0 344.342 3.072 10 5 EGBERN Cc1cc(C)c(OC(=O)c2cc(C(F)(F)F)n(C)n2)c([N+](=O)[O-])c1 ZINC001352039041 1391749724 /nfs/dbraw/zinc/74/97/24/1391749724.db2.gz GEKDBBIEJKITFF-UHFFFAOYSA-N 0 0 343.261 3.183 10 5 EGBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(C)C)cc1 ZINC001352337879 1391785454 /nfs/dbraw/zinc/78/54/54/1391785454.db2.gz VDQFKZPASAQDTJ-QGZVFWFLSA-N 0 0 343.383 3.434 10 5 EGBERN O=C(Oc1cccc(N2CCCC2=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001352444365 1391798029 /nfs/dbraw/zinc/79/80/29/1391798029.db2.gz ZSPKTZIIOPAHHL-UHFFFAOYSA-N 0 0 344.298 3.080 10 5 EGBERN O=C(c1cccc2scnc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001352604171 1391821056 /nfs/dbraw/zinc/82/10/56/1391821056.db2.gz FVPVJDSVXABARD-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccccc2)cn1 ZINC001352632401 1391826003 /nfs/dbraw/zinc/82/60/03/1391826003.db2.gz YWSJFEDOOUNNCI-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)COc2ccccc2O1 ZINC001352635474 1391827146 /nfs/dbraw/zinc/82/71/46/1391827146.db2.gz YALLARINMLQBSD-KRWDZBQOSA-N 0 0 328.324 3.072 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001352649032 1391828012 /nfs/dbraw/zinc/82/80/12/1391828012.db2.gz ROEGWDQKELKDLG-INIZCTEOSA-N 0 0 343.314 3.174 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)n1 ZINC001353357940 1391995992 /nfs/dbraw/zinc/99/59/92/1391995992.db2.gz XCLRRIQNBGVBFR-MRVPVSSYSA-N 0 0 332.385 3.132 10 5 EGBERN COCc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001353828417 1392100305 /nfs/dbraw/zinc/10/03/05/1392100305.db2.gz KJNZLELSGZZZBA-UHFFFAOYSA-N 0 0 332.331 3.119 10 5 EGBERN O=C(NCCCC1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001354846759 1392172606 /nfs/dbraw/zinc/17/26/06/1392172606.db2.gz HAJKPVBEHINVNP-UHFFFAOYSA-N 0 0 334.372 3.414 10 5 EGBERN C[C@H](NC(=O)NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001687587611 1396416354 /nfs/dbraw/zinc/41/63/54/1396416354.db2.gz RNXAFAMBRSBPEJ-ZDUSSCGKSA-N 0 0 347.415 3.040 10 5 EGBERN O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001497761115 1396830604 /nfs/dbraw/zinc/83/06/04/1396830604.db2.gz FYYGTFKZVPPKMZ-WAYWQWQTSA-N 0 0 349.456 3.165 10 5 EGBERN CC(C)=CC(=O)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001725725841 1426386157 /nfs/dbraw/zinc/38/61/57/1426386157.db2.gz MXVJYVDPSACUCL-UHFFFAOYSA-N 0 0 333.432 3.230 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccco1 ZINC001695345860 1406091488 /nfs/dbraw/zinc/09/14/88/1406091488.db2.gz ZDIUAXBWVNEGBL-UHFFFAOYSA-N 0 0 341.371 3.493 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1 ZINC001695629802 1406100426 /nfs/dbraw/zinc/10/04/26/1406100426.db2.gz QTDOAFATJHNIDH-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CC/C=C(\C)C(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045286 1414701973 /nfs/dbraw/zinc/70/19/73/1414701973.db2.gz HNZPSKZEJKCLSB-GIDUJCDVSA-N 0 0 343.427 3.199 10 5 EGBERN CN(CCNC(=O)CC1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713451970 1418097398 /nfs/dbraw/zinc/09/73/98/1418097398.db2.gz BPYPABHJBIWJRE-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CCC1(C(=O)N(C)CCN(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001715932056 1420404114 /nfs/dbraw/zinc/40/41/14/1420404114.db2.gz CVPUMVQOTFGQAH-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001726483341 1427062523 /nfs/dbraw/zinc/06/25/23/1427062523.db2.gz HPQHVBWWZVICSS-OCCSQVGLSA-N 0 0 341.415 3.498 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1C ZINC001730965092 1427185520 /nfs/dbraw/zinc/18/55/20/1427185520.db2.gz KMLOOGDNBRKAMH-GXTWGEPZSA-N 0 0 345.403 3.287 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001742970054 1439532747 /nfs/dbraw/zinc/53/27/47/1439532747.db2.gz MEODCRXEKKGPJX-DGCLKSJQSA-N 0 0 327.388 3.108 10 5 EGBERN CSc1nc(C)nc(C)c1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000050653961 214064827 /nfs/dbraw/zinc/06/48/27/214064827.db2.gz BHXFSWWJPHXBGW-UHFFFAOYSA-N 0 0 347.396 3.389 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H]2COc3ccccc3O2)ccc2ncccc21 ZINC000051203347 214083161 /nfs/dbraw/zinc/08/31/61/214083161.db2.gz ZBPHWZFRICPOGL-LBPRGKRZSA-N 0 0 337.335 3.395 10 5 EGBERN O=[N+]([O-])c1cccnc1NCC1(c2cccc(F)c2)CCOCC1 ZINC000054981700 214262065 /nfs/dbraw/zinc/26/20/65/214262065.db2.gz VMSQCXQLCRSNMA-UHFFFAOYSA-N 0 0 331.347 3.289 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000342392513 282168761 /nfs/dbraw/zinc/16/87/61/282168761.db2.gz IPFFMYOBPPJOEH-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000130839932 529760357 /nfs/dbraw/zinc/76/03/57/529760357.db2.gz CIFUTUQJOZSOKM-OAHLLOKOSA-N 0 0 343.387 3.223 10 5 EGBERN Cc1noc(C)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097378964 282379237 /nfs/dbraw/zinc/37/92/37/282379237.db2.gz PJJMJNZNFWFLST-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C\c2sccc2C)C(=O)O1 ZINC000002941846 209943139 /nfs/dbraw/zinc/94/31/39/209943139.db2.gz BFWZFVJQBIFOKK-WQLSENKSSA-N 0 0 344.348 3.318 10 5 EGBERN O=C(NCC(F)(F)F)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000068905432 215344787 /nfs/dbraw/zinc/34/47/87/215344787.db2.gz CWHNVVSAXAZFHI-UHFFFAOYSA-N 0 0 341.245 3.074 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccc(F)cc2)ncnc1Oc1cccnc1 ZINC000040660437 213364692 /nfs/dbraw/zinc/36/46/92/213364692.db2.gz MTHSMCCUUCFMPX-UHFFFAOYSA-N 0 0 341.302 3.323 10 5 EGBERN CC(C)Oc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040626392 213361049 /nfs/dbraw/zinc/36/10/49/213361049.db2.gz YZWYEUWGTMIBJH-UHFFFAOYSA-N 0 0 325.328 3.464 10 5 EGBERN CN(C)c1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040608597 213357921 /nfs/dbraw/zinc/35/79/21/213357921.db2.gz BSDSQSWZLDAYNM-UHFFFAOYSA-N 0 0 327.266 3.213 10 5 EGBERN CCNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000040596506 213356283 /nfs/dbraw/zinc/35/62/83/213356283.db2.gz TYABVZVAKMQRDZ-UHFFFAOYSA-N 0 0 338.165 3.323 10 5 EGBERN Cc1c(Cl)cccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040588593 213355236 /nfs/dbraw/zinc/35/52/36/213355236.db2.gz URBPIGSPPVELLF-UHFFFAOYSA-N 0 0 330.735 3.276 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC2(C1)CCCCC2 ZINC000181273026 234138452 /nfs/dbraw/zinc/13/84/52/234138452.db2.gz BTZVIORLEQMZPX-UHFFFAOYSA-N 0 0 332.356 3.120 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000181654969 234270410 /nfs/dbraw/zinc/27/04/10/234270410.db2.gz FCOULZHWXKNLCZ-UHFFFAOYSA-N 0 0 346.774 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000127730818 222875410 /nfs/dbraw/zinc/87/54/10/222875410.db2.gz JEFXEXNKQBBBEA-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN Cc1c(CC(=O)N2CCO[C@@H](c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000130448795 223153417 /nfs/dbraw/zinc/15/34/17/223153417.db2.gz IRQRXFPHEXMROZ-OAHLLOKOSA-N 0 0 346.408 3.107 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359708405 291296294 /nfs/dbraw/zinc/29/62/94/291296294.db2.gz UTLOPGWDTXYIHJ-JGVFFNPUSA-N 0 0 334.323 3.471 10 5 EGBERN CCOCc1cc([N+](=O)[O-])ccc1NC[C@H](O)c1ccc(OC)cc1 ZINC000075147162 216584766 /nfs/dbraw/zinc/58/47/66/216584766.db2.gz FTAPSAROYXUSNB-SFHVURJKSA-N 0 0 346.383 3.285 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](Cc3ccncc3)C2)s1 ZINC000376456582 168908154 /nfs/dbraw/zinc/90/81/54/168908154.db2.gz WDQJQFJBKOGBKY-LBPRGKRZSA-N 0 0 341.396 3.064 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000266217682 248181224 /nfs/dbraw/zinc/18/12/24/248181224.db2.gz PZYIENBTFRBAQX-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408106831 169160412 /nfs/dbraw/zinc/16/04/12/169160412.db2.gz ZPPNODIXCDWXGY-MGPQQGTHSA-N 0 0 338.429 3.245 10 5 EGBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000408133008 169161235 /nfs/dbraw/zinc/16/12/35/169161235.db2.gz MLTFEVUFUMJKPM-UHFFFAOYSA-N 0 0 341.411 3.091 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CCCOC2)C1 ZINC000408297772 169169639 /nfs/dbraw/zinc/16/96/39/169169639.db2.gz LDFPIHZHAKGOFV-GOSISDBHSA-N 0 0 343.383 3.109 10 5 EGBERN CNc1ccc(C(=O)c2ccccc2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000011232586 211209029 /nfs/dbraw/zinc/20/90/29/211209029.db2.gz ITPWFEJPKYDYFZ-UHFFFAOYSA-N 0 0 342.351 3.433 10 5 EGBERN CC(C)(C)c1csc(Cn2cc(Br)c([N+](=O)[O-])n2)n1 ZINC000094936373 218270206 /nfs/dbraw/zinc/27/02/06/218270206.db2.gz YGQUTNLPTUYJTG-UHFFFAOYSA-N 0 0 345.222 3.356 10 5 EGBERN COc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097232112 219000585 /nfs/dbraw/zinc/00/05/85/219000585.db2.gz NXCCCRMZGXBCRZ-GFCCVEGCSA-N 0 0 343.383 3.478 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC3CC3)cc2[N+](=O)[O-])C1 ZINC000047919582 296401071 /nfs/dbraw/zinc/40/10/71/296401071.db2.gz SPKRSNOUKIKHEU-CYBMUJFWSA-N 0 0 331.416 3.313 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113887084 220604054 /nfs/dbraw/zinc/60/40/54/220604054.db2.gz GGFZTXVZAUGKNN-INIZCTEOSA-N 0 0 339.355 3.167 10 5 EGBERN CC(C)NC(=O)c1ccc(NCCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000269363757 255570291 /nfs/dbraw/zinc/57/02/91/255570291.db2.gz KAMFEENCAPNUOV-UHFFFAOYSA-N 0 0 342.399 3.173 10 5 EGBERN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])o1 ZINC000118700427 221171484 /nfs/dbraw/zinc/17/14/84/221171484.db2.gz BRORLCZWYIXGRT-UONOGXRCSA-N 0 0 346.339 3.122 10 5 EGBERN Cn1cc(CNc2ncc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)n1 ZINC000119000253 221220801 /nfs/dbraw/zinc/22/08/01/221220801.db2.gz IOBALTSSTBMJRN-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN O=C(CC[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119590375 221355710 /nfs/dbraw/zinc/35/57/10/221355710.db2.gz CTLJBSWFICFMET-JTQLQIEISA-N 0 0 343.177 3.255 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120221026 221516824 /nfs/dbraw/zinc/51/68/24/221516824.db2.gz LLWXNYHJELGLSD-KBXCAEBGSA-N 0 0 347.415 3.371 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000183303747 533406037 /nfs/dbraw/zinc/40/60/37/533406037.db2.gz NBQPHLPYYNWKAV-ZRDIBKRKSA-N 0 0 349.350 3.422 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000057926247 307347768 /nfs/dbraw/zinc/34/77/68/307347768.db2.gz IREZBNZRMWYDRL-JTQLQIEISA-N 0 0 332.447 3.246 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343266921 285619220 /nfs/dbraw/zinc/61/92/20/285619220.db2.gz MMQXNWJCRPPOEZ-DOTOQJQBSA-N 0 0 332.400 3.291 10 5 EGBERN C[C@H]1CCOCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160087290 140952032 /nfs/dbraw/zinc/95/20/32/140952032.db2.gz TVFOGHDAQZEMFE-VIFPVBQESA-N 0 0 347.293 3.256 10 5 EGBERN Cc1cc(NC(=O)COc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161850051 140975422 /nfs/dbraw/zinc/97/54/22/140975422.db2.gz YKUUPUVMLUIIGL-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000337828313 141062986 /nfs/dbraw/zinc/06/29/86/141062986.db2.gz URSNWQBIIQSBRC-CYBMUJFWSA-N 0 0 334.351 3.367 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000338055334 141083111 /nfs/dbraw/zinc/08/31/11/141083111.db2.gz OHATZVHPRKWKII-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-n2cccc2)ccn1 ZINC000341198835 141136768 /nfs/dbraw/zinc/13/67/68/141136768.db2.gz XSXOLGLCYAZPJP-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN CC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000346435464 141194221 /nfs/dbraw/zinc/19/42/21/141194221.db2.gz MKIIPZZLNKQIGH-CYBMUJFWSA-N 0 0 348.330 3.027 10 5 EGBERN COc1ccc(F)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000350485644 141249124 /nfs/dbraw/zinc/24/91/24/141249124.db2.gz YUQICQGIPLEKJY-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN Cn1ccnc1[C@@H](NCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000353443946 141296708 /nfs/dbraw/zinc/29/67/08/141296708.db2.gz FCIGWXMOGDRVDA-INIZCTEOSA-N 0 0 342.424 3.312 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000356337485 141342992 /nfs/dbraw/zinc/34/29/92/141342992.db2.gz CLLURVLZYIKAHZ-LLVKDONJSA-N 0 0 336.413 3.148 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c3cc(F)ccc32)c1 ZINC000356821480 141348781 /nfs/dbraw/zinc/34/87/81/141348781.db2.gz JDHHLUXONRWFMS-UHFFFAOYSA-N 0 0 346.343 3.006 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cncn2C)no1 ZINC000357934629 141361421 /nfs/dbraw/zinc/36/14/21/141361421.db2.gz LBSOEOJODRLDRY-JTQLQIEISA-N 0 0 345.384 3.155 10 5 EGBERN CCCCN(C)C(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054255639 142583848 /nfs/dbraw/zinc/58/38/48/142583848.db2.gz QZOVOPIHHMVWKN-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341289786 142630862 /nfs/dbraw/zinc/63/08/62/142630862.db2.gz MTCHVBBJECRFEV-NEPJUHHUSA-N 0 0 332.331 3.379 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000172754294 144027296 /nfs/dbraw/zinc/02/72/96/144027296.db2.gz VIJPOKYCWTWJGV-GFCCVEGCSA-N 0 0 344.367 3.032 10 5 EGBERN COc1ccc(C[C@H](C)Nc2nc(C)ccc2[N+](=O)[O-])cc1OC ZINC000178217079 144066997 /nfs/dbraw/zinc/06/69/97/144066997.db2.gz MYKDUQGPRSHPIJ-LBPRGKRZSA-N 0 0 331.372 3.359 10 5 EGBERN Cc1ccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000185169998 144105816 /nfs/dbraw/zinc/10/58/16/144105816.db2.gz ZGQOPZLVVRBJIH-UHFFFAOYSA-N 0 0 334.397 3.030 10 5 EGBERN CSc1cccc(C(=O)N(C)c2cccnc2N(C)C)c1[N+](=O)[O-] ZINC000186738011 144142166 /nfs/dbraw/zinc/14/21/66/144142166.db2.gz RKBQIZKICFOOJA-UHFFFAOYSA-N 0 0 346.412 3.054 10 5 EGBERN COc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1[N+](=O)[O-] ZINC000187435494 144158734 /nfs/dbraw/zinc/15/87/34/144158734.db2.gz YOGXTTONOHKARA-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1C ZINC000188060219 144167995 /nfs/dbraw/zinc/16/79/95/144167995.db2.gz HBORSJXHBNWBGR-UHFFFAOYSA-N 0 0 328.324 3.099 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000192513499 144175825 /nfs/dbraw/zinc/17/58/25/144175825.db2.gz KESKSKAWPSPOTE-LLVKDONJSA-N 0 0 325.777 3.362 10 5 EGBERN COc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccn1 ZINC000344656376 144206186 /nfs/dbraw/zinc/20/61/86/144206186.db2.gz DKFOSXMKXQJPEA-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1nc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000344664838 144207774 /nfs/dbraw/zinc/20/77/74/144207774.db2.gz YMARQOVCZXYJGV-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCOc1cc(C(=O)Nc2csc(C)n2)c([N+](=O)[O-])cc1OC ZINC000344689347 144210475 /nfs/dbraw/zinc/21/04/75/144210475.db2.gz KIHQTVLYPKQCNK-UHFFFAOYSA-N 0 0 337.357 3.019 10 5 EGBERN COC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000351722098 144296394 /nfs/dbraw/zinc/29/63/94/144296394.db2.gz USOKTNSKWYOGSI-INIZCTEOSA-N 0 0 340.301 3.489 10 5 EGBERN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000361634210 144340134 /nfs/dbraw/zinc/34/01/34/144340134.db2.gz AHQZOZGJFCDASA-UHFFFAOYSA-N 0 0 342.351 3.231 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000374107867 144528609 /nfs/dbraw/zinc/52/86/09/144528609.db2.gz NYYMYXSFMAIBMN-UHFFFAOYSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375454081 144597929 /nfs/dbraw/zinc/59/79/29/144597929.db2.gz HRAKBEMNGWGZOA-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN COc1cc(F)cc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341074406 155141860 /nfs/dbraw/zinc/14/18/60/155141860.db2.gz GVZGDYWVTXHNEU-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN CC(C)CSCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341112117 155166266 /nfs/dbraw/zinc/16/62/66/155166266.db2.gz MFHRELMIVUMBOS-GFCCVEGCSA-N 0 0 325.434 3.344 10 5 EGBERN C[C@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000341302599 155236540 /nfs/dbraw/zinc/23/65/40/155236540.db2.gz RLLKXPWVKBBALU-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOC[C@H]1CC1CCC1 ZINC000341408204 155276581 /nfs/dbraw/zinc/27/65/81/155276581.db2.gz NBIKTOQYPKKJOB-CQSZACIVSA-N 0 0 343.383 3.107 10 5 EGBERN Cn1nccc1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116275260 152054565 /nfs/dbraw/zinc/05/45/65/152054565.db2.gz YVTXAAQXATVDEC-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccccc1[N+](=O)[O-] ZINC000116820888 152077256 /nfs/dbraw/zinc/07/72/56/152077256.db2.gz WGCJARYHMONYIZ-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000121429624 152350416 /nfs/dbraw/zinc/35/04/16/152350416.db2.gz AUSYRHJZGNXIKZ-UHFFFAOYSA-N 0 0 347.321 3.386 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000155513248 152630454 /nfs/dbraw/zinc/63/04/54/152630454.db2.gz JFBSBWUZPOPSDU-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1ccc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000116701609 292273160 /nfs/dbraw/zinc/27/31/60/292273160.db2.gz DGSYXZFILJLZTK-GFCCVEGCSA-N 0 0 336.369 3.080 10 5 EGBERN CCc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1[N+](=O)[O-] ZINC000185380983 152983094 /nfs/dbraw/zinc/98/30/94/152983094.db2.gz WSZCAOWFVIGVQV-MRXNPFEDSA-N 0 0 342.351 3.225 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189615116 153084070 /nfs/dbraw/zinc/08/40/70/153084070.db2.gz QZUJOJVAKOTGDT-MNOVXSKESA-N 0 0 347.346 3.118 10 5 EGBERN COc1ccc(CN2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000189950027 153106346 /nfs/dbraw/zinc/10/63/46/153106346.db2.gz DPQQFFMJHBWGGW-UHFFFAOYSA-N 0 0 348.428 3.136 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000190346910 153133132 /nfs/dbraw/zinc/13/31/32/153133132.db2.gz PRZMHZPUCPFZJZ-ZBFHGGJFSA-N 0 0 335.404 3.082 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(C2CC2)cc1 ZINC000190458847 153142830 /nfs/dbraw/zinc/14/28/30/153142830.db2.gz UHXFBUPMCABLRW-UHFFFAOYSA-N 0 0 346.408 3.092 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000190456275 153142901 /nfs/dbraw/zinc/14/29/01/153142901.db2.gz OZACFIYMUWQVDZ-UHFFFAOYSA-N 0 0 346.408 3.092 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000192645221 153252060 /nfs/dbraw/zinc/25/20/60/153252060.db2.gz UCSGNQJLXKVVHK-HNNXBMFYSA-N 0 0 325.368 3.146 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000193043854 153274284 /nfs/dbraw/zinc/27/42/84/153274284.db2.gz ZEHRGAYZWYDQAJ-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000193783911 153305786 /nfs/dbraw/zinc/30/57/86/153305786.db2.gz OOHVVGBPQLHQQO-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000246998296 292289695 /nfs/dbraw/zinc/28/96/95/292289695.db2.gz LKWJVHWONLNWPB-BLLLJJGKSA-N 0 0 331.347 3.404 10 5 EGBERN O=C(CSc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000337767946 154532068 /nfs/dbraw/zinc/53/20/68/154532068.db2.gz UGIQKVSHLMZESF-SNVBAGLBSA-N 0 0 348.346 3.488 10 5 EGBERN COc1cc(C(=O)N(CC(F)F)CC2CCC2)ccc1[N+](=O)[O-] ZINC000341861991 155503502 /nfs/dbraw/zinc/50/35/02/155503502.db2.gz DZQASSOWNSFTCN-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN CCOc1ccc(C(=O)N=c2cc(C)n([C@@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000343248235 155701305 /nfs/dbraw/zinc/70/13/05/155701305.db2.gz JAPZDGIAIVBUSB-NSHDSACASA-N 0 0 346.387 3.144 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000347009988 156244429 /nfs/dbraw/zinc/24/44/29/156244429.db2.gz SXTXEBRRCCOYNW-UHFFFAOYSA-N 0 0 335.404 3.012 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc3[nH]ccc3s2)cc([N+](=O)[O-])c1 ZINC000356173974 156601229 /nfs/dbraw/zinc/60/12/29/156601229.db2.gz QLZHMXYETSJVIR-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN Cc1cc(N(C)Cc2nc(-c3cccnc3)no2)c(F)cc1[N+](=O)[O-] ZINC000360071299 156904054 /nfs/dbraw/zinc/90/40/54/156904054.db2.gz JSNKHRPGTMFWCP-UHFFFAOYSA-N 0 0 343.318 3.124 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000361998744 156975518 /nfs/dbraw/zinc/97/55/18/156975518.db2.gz FRRFJWPMWUAQGB-UHFFFAOYSA-N 0 0 333.731 3.139 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC12CCOCC2 ZINC000365475275 157137300 /nfs/dbraw/zinc/13/73/00/157137300.db2.gz YIDYBZLFCHIDRP-UHFFFAOYSA-N 0 0 325.752 3.035 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000074809567 161694585 /nfs/dbraw/zinc/69/45/85/161694585.db2.gz JMAXATDGFIMSAI-KGLIPLIRSA-N 0 0 348.790 3.358 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000114395377 162229139 /nfs/dbraw/zinc/22/91/39/162229139.db2.gz BLZGVSNVNFZOMS-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490836 162236150 /nfs/dbraw/zinc/23/61/50/162236150.db2.gz RMGUBKTYMVDUSD-NSHDSACASA-N 0 0 349.328 3.174 10 5 EGBERN CCOc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000124774596 162259125 /nfs/dbraw/zinc/25/91/25/162259125.db2.gz QDTJBOIGYTVEGA-UHFFFAOYSA-N 0 0 349.412 3.073 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000151743303 162600138 /nfs/dbraw/zinc/60/01/38/162600138.db2.gz HGRYFMDJZCBIAO-KBPBESRZSA-N 0 0 332.306 3.293 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248941659 163046910 /nfs/dbraw/zinc/04/69/10/163046910.db2.gz YVZMIUCFGFFRHT-HYVNUMGLSA-N 0 0 347.415 3.303 10 5 EGBERN COC(=O)c1csc(Sc2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000338818742 163355853 /nfs/dbraw/zinc/35/58/53/163355853.db2.gz ZHKMWEXOTNPIRN-UHFFFAOYSA-N 0 0 331.762 3.038 10 5 EGBERN O=C(COc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000338848111 163362249 /nfs/dbraw/zinc/36/22/49/163362249.db2.gz YHRVNRGWQYVCRG-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000340968945 163704855 /nfs/dbraw/zinc/70/48/55/163704855.db2.gz ZAZCFQYAYDYLHJ-GFCCVEGCSA-N 0 0 331.372 3.317 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343643720 164002244 /nfs/dbraw/zinc/00/22/44/164002244.db2.gz BUDWLEWWBICRRV-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN COc1cc(N(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000343856397 164051424 /nfs/dbraw/zinc/05/14/24/164051424.db2.gz UTXPAMVSJBOUCG-NSHDSACASA-N 0 0 348.330 3.019 10 5 EGBERN CC(C)[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000344052735 164091990 /nfs/dbraw/zinc/09/19/90/164091990.db2.gz UIXOZNHVMGYXDI-LBPRGKRZSA-N 0 0 340.248 3.119 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000344193658 164123960 /nfs/dbraw/zinc/12/39/60/164123960.db2.gz ZIWICDPEZLVYRF-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)OC ZINC000344360558 164163802 /nfs/dbraw/zinc/16/38/02/164163802.db2.gz YMXUKRKZJGNZJR-MNOVXSKESA-N 0 0 326.418 3.250 10 5 EGBERN O=C(Nc1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344418480 164174796 /nfs/dbraw/zinc/17/47/96/164174796.db2.gz LQVNFARKAZJGSG-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000344441215 164179082 /nfs/dbraw/zinc/17/90/82/164179082.db2.gz VSOUWNVWTRZOIA-UHFFFAOYSA-N 0 0 328.303 3.439 10 5 EGBERN COc1cc(COc2ccc3c(c2F)CCC3=O)ccc1[N+](=O)[O-] ZINC000344579096 164191742 /nfs/dbraw/zinc/19/17/42/164191742.db2.gz MWEFCRYHLFEAHA-UHFFFAOYSA-N 0 0 331.299 3.450 10 5 EGBERN Cc1ccccc1-c1csc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000344595056 164195018 /nfs/dbraw/zinc/19/50/18/164195018.db2.gz UAJZYUSESJYXCW-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN O=C(NC[C@H]1CCCSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345911571 164293146 /nfs/dbraw/zinc/29/31/46/164293146.db2.gz VOMNZRSOIXFQEC-SECBINFHSA-N 0 0 346.355 3.069 10 5 EGBERN CC[NH+](CC)Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000346134436 164345544 /nfs/dbraw/zinc/34/55/44/164345544.db2.gz DISNQPPMVFWVIY-UHFFFAOYSA-N 0 0 343.383 3.395 10 5 EGBERN CN(Cc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347206154 164461296 /nfs/dbraw/zinc/46/12/96/164461296.db2.gz FDAWTKGSRNAXJA-UHFFFAOYSA-N 0 0 345.403 3.290 10 5 EGBERN Cc1nn([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000354927287 166066159 /nfs/dbraw/zinc/06/61/59/166066159.db2.gz BVWHZRIRGVQRCL-CQSZACIVSA-N 0 0 330.388 3.098 10 5 EGBERN CO[C@](C)(c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000350422808 165048218 /nfs/dbraw/zinc/04/82/18/165048218.db2.gz RYNBXLVDWHQTBN-INIZCTEOSA-N 0 0 328.328 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)c3ccsc3)co2)cc1 ZINC000352033136 165201096 /nfs/dbraw/zinc/20/10/96/165201096.db2.gz QTKQXAMAFWLIPC-OAHLLOKOSA-N 0 0 345.380 3.135 10 5 EGBERN COc1cc(CNc2cc(C(=O)N(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000352035097 165202487 /nfs/dbraw/zinc/20/24/87/165202487.db2.gz MASOZYVUFBGGJI-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352229961 165298427 /nfs/dbraw/zinc/29/84/27/165298427.db2.gz WHMMNWSTPHJLIS-PELKAZGASA-N 0 0 341.289 3.489 10 5 EGBERN CC(C)c1noc(CCCNc2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC000352359400 165361713 /nfs/dbraw/zinc/36/17/13/165361713.db2.gz HBKIDJRHVYPZIY-UHFFFAOYSA-N 0 0 341.371 3.116 10 5 EGBERN Cc1ccncc1CN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000352404643 165383020 /nfs/dbraw/zinc/38/30/20/165383020.db2.gz CVCHXKIFNKYZAI-UHFFFAOYSA-N 0 0 327.384 3.234 10 5 EGBERN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000352461050 165420241 /nfs/dbraw/zinc/42/02/41/165420241.db2.gz JCIBULWOUUUJAD-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971904 287145088 /nfs/dbraw/zinc/14/50/88/287145088.db2.gz KLSXZOVOWTUSBC-LDDOYCOJSA-N 0 0 334.416 3.314 10 5 EGBERN Cc1c(NC(=O)N[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000355108396 166108940 /nfs/dbraw/zinc/10/89/40/166108940.db2.gz BPUYZJYWIMTFIT-HNNXBMFYSA-N 0 0 329.356 3.148 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000355852968 166328197 /nfs/dbraw/zinc/32/81/97/166328197.db2.gz DFRPVSIBLJLCEI-UHFFFAOYSA-N 0 0 329.356 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000355914998 166346255 /nfs/dbraw/zinc/34/62/55/166346255.db2.gz CXEPIZXUGQEJJZ-UHFFFAOYSA-N 0 0 332.266 3.217 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356754063 166501350 /nfs/dbraw/zinc/50/13/50/166501350.db2.gz ZTQJWLWMZCIBHE-KOLCDFICSA-N 0 0 345.321 3.330 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000357078882 166579461 /nfs/dbraw/zinc/57/94/61/166579461.db2.gz YRPWRROEDFMVOG-UHFFFAOYSA-N 0 0 326.327 3.422 10 5 EGBERN Cc1cccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000358910727 167002226 /nfs/dbraw/zinc/00/22/26/167002226.db2.gz VETGSNBTVUZTFU-UHFFFAOYSA-N 0 0 336.294 3.435 10 5 EGBERN Cc1ccccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358912451 167003575 /nfs/dbraw/zinc/00/35/75/167003575.db2.gz YKRVTRMEFKTLRB-UHFFFAOYSA-N 0 0 336.294 3.435 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])o1 ZINC000358936668 167012095 /nfs/dbraw/zinc/01/20/95/167012095.db2.gz XNXIJBKKXGORIH-LBPRGKRZSA-N 0 0 332.356 3.013 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)CCc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000358934761 167012406 /nfs/dbraw/zinc/01/24/06/167012406.db2.gz VCOJJHIERSLCAH-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN C[C@H]1SCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H]1C ZINC000358964040 167020281 /nfs/dbraw/zinc/02/02/81/167020281.db2.gz GWWIHKVUIAXHBI-RKDXNWHRSA-N 0 0 346.355 3.162 10 5 EGBERN CCCN(CC(F)F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358988518 167029676 /nfs/dbraw/zinc/02/96/76/167029676.db2.gz XTLHPKMKDBXKFN-UHFFFAOYSA-N 0 0 338.257 3.314 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](CO)Cc2ccc(F)cc2)n1 ZINC000359084948 167062784 /nfs/dbraw/zinc/06/27/84/167062784.db2.gz RPTZEVOODMCQOU-CQSZACIVSA-N 0 0 333.363 3.009 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCCN(C(=O)C2CCC2)C2CC2)n1 ZINC000359103639 167067871 /nfs/dbraw/zinc/06/78/71/167067871.db2.gz UHSLCWAFCNIJMX-UHFFFAOYSA-N 0 0 346.431 3.200 10 5 EGBERN COC(=O)c1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000359157285 167084194 /nfs/dbraw/zinc/08/41/94/167084194.db2.gz NDRWIJUNXPKJQB-KZULUSFZSA-N 0 0 346.383 3.034 10 5 EGBERN O=C(Nc1ccc2[nH]cnc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359162263 167085134 /nfs/dbraw/zinc/08/51/34/167085134.db2.gz CNBUCYAFSUJUCD-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN CCN(Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000359311456 167122514 /nfs/dbraw/zinc/12/25/14/167122514.db2.gz UMFUFPZDZIXOBH-UHFFFAOYSA-N 0 0 341.371 3.005 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3c[nH]c4ccc(F)cc34)nc2c1 ZINC000360264169 167285102 /nfs/dbraw/zinc/28/51/02/167285102.db2.gz CLYXLYKAXRZMGP-UHFFFAOYSA-N 0 0 339.330 3.168 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000360392074 167319030 /nfs/dbraw/zinc/31/90/30/167319030.db2.gz FGRITOBBCIAQOV-ZIAGYGMSSA-N 0 0 345.330 3.420 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000360395069 167320245 /nfs/dbraw/zinc/32/02/45/167320245.db2.gz NLJIOTQYQNSXDH-KBPBESRZSA-N 0 0 327.340 3.281 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360404166 167321384 /nfs/dbraw/zinc/32/13/84/167321384.db2.gz BUMSKFGUTHLIGE-CQSZACIVSA-N 0 0 345.355 3.113 10 5 EGBERN Cc1c(Br)cc(C(=O)NCCCCF)cc1[N+](=O)[O-] ZINC000360522684 167348720 /nfs/dbraw/zinc/34/87/20/167348720.db2.gz UUVMXIVVZLWFDW-UHFFFAOYSA-N 0 0 333.157 3.145 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000360523808 167348752 /nfs/dbraw/zinc/34/87/52/167348752.db2.gz CCCHTJOVEPYOJW-IAGOWNOFSA-N 0 0 340.379 3.332 10 5 EGBERN CNc1c(C(=O)N2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000360938442 167453638 /nfs/dbraw/zinc/45/36/38/167453638.db2.gz UQFXSBSSTYHZHZ-UHFFFAOYSA-N 0 0 347.321 3.113 10 5 EGBERN CNc1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000361147603 167537747 /nfs/dbraw/zinc/53/77/47/167537747.db2.gz UHHRTGPOKZOKHS-SECBINFHSA-N 0 0 335.310 3.406 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@](CO)(c3ccccc3)C2)c(Cl)c1 ZINC000367175000 168188998 /nfs/dbraw/zinc/18/89/98/168188998.db2.gz YJQKLYDWBPBNQM-KRWDZBQOSA-N 0 0 347.802 3.174 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000367204755 168192808 /nfs/dbraw/zinc/19/28/08/168192808.db2.gz MFYGEAGVWRHZFE-QGZVFWFLSA-N 0 0 332.306 3.445 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000367558322 168242052 /nfs/dbraw/zinc/24/20/52/168242052.db2.gz ZUIXTMKQYLDBMZ-YJBOKZPZSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000368036810 168301133 /nfs/dbraw/zinc/30/11/33/168301133.db2.gz SGXLKNCGTGTTGD-CQSZACIVSA-N 0 0 345.424 3.404 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000368080025 168307914 /nfs/dbraw/zinc/30/79/14/168307914.db2.gz XXVHWQPGIVZBIX-GTNSWQLSSA-N 0 0 328.372 3.123 10 5 EGBERN Cc1ccc(CN2CCc3c(nc(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000123301745 222253532 /nfs/dbraw/zinc/25/35/32/222253532.db2.gz DJSCOYOTJXSTJS-UHFFFAOYSA-N 0 0 328.416 3.318 10 5 EGBERN Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000123893738 222349000 /nfs/dbraw/zinc/34/90/00/222349000.db2.gz BJPHFDBIBZZAGO-ZDUSSCGKSA-N 0 0 348.424 3.350 10 5 EGBERN COc1cc(N2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000124086904 222374632 /nfs/dbraw/zinc/37/46/32/222374632.db2.gz GBUIFGHMJAJRIT-GFCCVEGCSA-N 0 0 346.362 3.076 10 5 EGBERN C[C@H](SC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131278050 264759778 /nfs/dbraw/zinc/75/97/78/264759778.db2.gz SITQZVDFXHTJAM-VIFPVBQESA-N 0 0 344.820 3.487 10 5 EGBERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174180402 265029565 /nfs/dbraw/zinc/02/95/65/265029565.db2.gz IIJLPPHQJAJMAA-ZDUSSCGKSA-N 0 0 329.356 3.322 10 5 EGBERN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174315213 265041699 /nfs/dbraw/zinc/04/16/99/265041699.db2.gz OPOGHVMDINAYNQ-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN CCCn1nccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175192079 265099490 /nfs/dbraw/zinc/09/94/90/265099490.db2.gz PYTHHHDPIZMTIZ-LBPRGKRZSA-N 0 0 331.376 3.392 10 5 EGBERN CCCn1nccc1NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175187979 265099709 /nfs/dbraw/zinc/09/97/09/265099709.db2.gz LSJVMAWJQQVLLF-AWEZNQCLSA-N 0 0 331.376 3.474 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000175669490 265129418 /nfs/dbraw/zinc/12/94/18/265129418.db2.gz WFFANHDRTFGOFC-GHMZBOCLSA-N 0 0 344.820 3.059 10 5 EGBERN CO[C@@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1ccccc1 ZINC000182637561 265429083 /nfs/dbraw/zinc/42/90/83/265429083.db2.gz VPYDQZLVIOOGQW-YVEFUNNKSA-N 0 0 326.352 3.260 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(c3ccccc3)CC2)n1 ZINC000191501096 265909403 /nfs/dbraw/zinc/90/94/03/265909403.db2.gz OIZJSYXLJDYAAR-UHFFFAOYSA-N 0 0 342.399 3.267 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000191601200 265919512 /nfs/dbraw/zinc/91/95/12/265919512.db2.gz MWYWLATXLVQFBH-OAHLLOKOSA-N 0 0 346.362 3.222 10 5 EGBERN CCCN(CCc1cccc(F)c1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191615636 265920936 /nfs/dbraw/zinc/92/09/36/265920936.db2.gz BAPMOQIEGUQPBQ-UHFFFAOYSA-N 0 0 348.378 3.045 10 5 EGBERN CCc1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000191701463 265925575 /nfs/dbraw/zinc/92/55/75/265925575.db2.gz YHKHTCLCELXLNH-UHFFFAOYSA-N 0 0 339.355 3.174 10 5 EGBERN CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000194373538 266112617 /nfs/dbraw/zinc/11/26/17/266112617.db2.gz OLMGCWMZJXOSDV-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000194559881 266127493 /nfs/dbraw/zinc/12/74/93/266127493.db2.gz HFCVBFDPFRFLFQ-AEFFLSMTSA-N 0 0 340.379 3.379 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000195368213 266177990 /nfs/dbraw/zinc/17/79/90/266177990.db2.gz IYULQOAUXDUXLK-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000272228650 266797458 /nfs/dbraw/zinc/79/74/58/266797458.db2.gz VGPDFZIXWUYLOV-WBMJQRKESA-N 0 0 341.367 3.050 10 5 EGBERN CC(C)COC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273356616 267026392 /nfs/dbraw/zinc/02/63/92/267026392.db2.gz DPEIJFBNPSRWNY-UHFFFAOYSA-N 0 0 339.367 3.403 10 5 EGBERN CCOc1cccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000273820883 267116695 /nfs/dbraw/zinc/11/66/95/267116695.db2.gz CRMDBJTXZFIOAM-UKRRQHHQSA-N 0 0 330.388 3.278 10 5 EGBERN CC(C)COc1ccccc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000273838441 267121826 /nfs/dbraw/zinc/12/18/26/267121826.db2.gz YZAFJZOPKVTYOX-UHFFFAOYSA-N 0 0 343.343 3.080 10 5 EGBERN C[C@@H](c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1)C1CC1 ZINC000273963185 267153042 /nfs/dbraw/zinc/15/30/42/267153042.db2.gz KTMRWYFCQKRWGL-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN COc1cc(N2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000274272179 267210399 /nfs/dbraw/zinc/21/03/99/267210399.db2.gz RMCIABHUFAEDQX-UHFFFAOYSA-N 0 0 346.358 3.231 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000274489160 267245725 /nfs/dbraw/zinc/24/57/25/267245725.db2.gz QMKJKCZARDCDKV-SMDDNHRTSA-N 0 0 340.807 3.117 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@]1(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000275156933 267324858 /nfs/dbraw/zinc/32/48/58/267324858.db2.gz TWYASZDJBLFFPC-FUHWJXTLSA-N 0 0 349.431 3.383 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000275356936 267349786 /nfs/dbraw/zinc/34/97/86/267349786.db2.gz AWCIZLKDHFNBBG-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3C)C2)n(C)n1 ZINC000277815699 267874740 /nfs/dbraw/zinc/87/47/40/267874740.db2.gz IIXFPABXRMNNQI-CQSZACIVSA-N 0 0 329.404 3.026 10 5 EGBERN CO[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000278271771 267976746 /nfs/dbraw/zinc/97/67/46/267976746.db2.gz FIAPZMDYRVASHR-NOZJJQNGSA-N 0 0 326.780 3.054 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Sc2ccccc21 ZINC000155531412 274857386 /nfs/dbraw/zinc/85/73/86/274857386.db2.gz KLNOYJXKKXVCJC-JTQLQIEISA-N 0 0 329.381 3.439 10 5 EGBERN Cc1nn(-c2nc(-c3cccnc3)nc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000007989822 274866492 /nfs/dbraw/zinc/86/64/92/274866492.db2.gz OYBDZSYJRZTFPC-UHFFFAOYSA-N 0 0 346.350 3.403 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000343083325 274886294 /nfs/dbraw/zinc/88/62/94/274886294.db2.gz FCKQTQKRVFJZLE-LBPRGKRZSA-N 0 0 349.774 3.230 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000171631959 275036016 /nfs/dbraw/zinc/03/60/16/275036016.db2.gz GSZVZXFTGBHBRU-UHFFFAOYSA-N 0 0 342.355 3.357 10 5 EGBERN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(F)cc1 ZINC000016632541 275122349 /nfs/dbraw/zinc/12/23/49/275122349.db2.gz SDNDJYPQEHXJIF-UHFFFAOYSA-N 0 0 342.330 3.416 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897212 275151948 /nfs/dbraw/zinc/15/19/48/275151948.db2.gz ZKAADDICEQAJHL-GHMZBOCLSA-N 0 0 325.796 3.307 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC000103129905 275160408 /nfs/dbraw/zinc/16/04/08/275160408.db2.gz FKKQZZQAQSXITG-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(C(C)(C)C)cc2)c1=O ZINC000178339001 275201238 /nfs/dbraw/zinc/20/12/38/275201238.db2.gz UGIRVYFAFICFFC-UHFFFAOYSA-N 0 0 328.368 3.245 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000181219912 275205720 /nfs/dbraw/zinc/20/57/20/275205720.db2.gz SSAPHHOSYBPGCP-ORAYPTAESA-N 0 0 340.379 3.332 10 5 EGBERN CCO[C@@H](C)c1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184978289 275214298 /nfs/dbraw/zinc/21/42/98/275214298.db2.gz DGXJPDBYKGMUJM-JTQLQIEISA-N 0 0 344.327 3.203 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000278627273 275260464 /nfs/dbraw/zinc/26/04/64/275260464.db2.gz MFRVFWRNYWIYJW-RISCZKNCSA-N 0 0 340.807 3.180 10 5 EGBERN COC(C)(C)CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000278774908 275273693 /nfs/dbraw/zinc/27/36/93/275273693.db2.gz ORWYWPHCPUNHSE-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)CCCO ZINC000278823140 275278047 /nfs/dbraw/zinc/27/80/47/275278047.db2.gz USXVCGRVCHGIKW-UHFFFAOYSA-N 0 0 328.796 3.085 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279470660 275333524 /nfs/dbraw/zinc/33/35/24/275333524.db2.gz QQWJRWVYTUMVDI-MVVHZJPDSA-N 0 0 330.384 3.024 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279961623 275382630 /nfs/dbraw/zinc/38/26/30/275382630.db2.gz JOVLRZDHSFZFAA-KAUXGEHWSA-N 0 0 332.400 3.416 10 5 EGBERN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021090580 275476277 /nfs/dbraw/zinc/47/62/77/275476277.db2.gz NWGZMTDXHSBGGH-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000281237787 275532736 /nfs/dbraw/zinc/53/27/36/275532736.db2.gz CHNKPJCSAAVQCK-CQSZACIVSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000282000090 275595203 /nfs/dbraw/zinc/59/52/03/275595203.db2.gz QINQQFPTWMIRHX-INIZCTEOSA-N 0 0 343.387 3.396 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000286502518 276009060 /nfs/dbraw/zinc/00/90/60/276009060.db2.gz WBRAPAGZYZYXKA-JTQLQIEISA-N 0 0 335.385 3.344 10 5 EGBERN COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570712 276017894 /nfs/dbraw/zinc/01/78/94/276017894.db2.gz POPWHXZFOKIQQU-HZMBPMFUSA-N 0 0 346.305 3.083 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000187473608 276048890 /nfs/dbraw/zinc/04/88/90/276048890.db2.gz SHLSEKVPQJYQSL-HNNXBMFYSA-N 0 0 331.416 3.029 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000287718322 276150559 /nfs/dbraw/zinc/15/05/59/276150559.db2.gz FENCVKZXSGSHQG-SJKOYZFVSA-N 0 0 328.372 3.081 10 5 EGBERN Cc1ccc(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000287965814 276172941 /nfs/dbraw/zinc/17/29/41/276172941.db2.gz VJHGHAURZVMRHL-UHFFFAOYSA-N 0 0 347.802 3.195 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2[nH]c3ccccc3c2C1 ZINC000288104998 276183427 /nfs/dbraw/zinc/18/34/27/276183427.db2.gz KCIVVZPDNZTPQT-UHFFFAOYSA-N 0 0 325.372 3.164 10 5 EGBERN CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC000288764187 276250373 /nfs/dbraw/zinc/25/03/73/276250373.db2.gz JDMOMHZJPFBKGY-UHFFFAOYSA-N 0 0 335.310 3.254 10 5 EGBERN CC1(C)CC[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)O1 ZINC000289153114 276297305 /nfs/dbraw/zinc/29/73/05/276297305.db2.gz NGIGOHAWUPMMPO-CYBMUJFWSA-N 0 0 332.360 3.263 10 5 EGBERN CC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])OCCCO1 ZINC000290997381 276571984 /nfs/dbraw/zinc/57/19/84/276571984.db2.gz AONVLVAQNDNBKE-UHFFFAOYSA-N 0 0 335.187 3.144 10 5 EGBERN C[C@@]12CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]1C2(F)F ZINC000291682301 276676284 /nfs/dbraw/zinc/67/62/84/276676284.db2.gz DTMYPQYSKBGJBD-WCQYABFASA-N 0 0 329.278 3.243 10 5 EGBERN CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000291986203 276716945 /nfs/dbraw/zinc/71/69/45/276716945.db2.gz UFYYEUSYDXXBEC-NSHDSACASA-N 0 0 327.768 3.279 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000292065132 276728554 /nfs/dbraw/zinc/72/85/54/276728554.db2.gz BZPHIMJJVJAROO-MEDUHNTESA-N 0 0 346.408 3.397 10 5 EGBERN COc1cc(N2CCC=C(c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000343984570 277381646 /nfs/dbraw/zinc/38/16/46/277381646.db2.gz VXJRKFXPGXBGCG-UHFFFAOYSA-N 0 0 329.331 3.431 10 5 EGBERN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000120603252 277394547 /nfs/dbraw/zinc/39/45/47/277394547.db2.gz CBKVARZHRRIFDQ-KRWDZBQOSA-N 0 0 340.379 3.304 10 5 EGBERN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1OC=C[C@H]41 ZINC000014715660 277464794 /nfs/dbraw/zinc/46/47/94/277464794.db2.gz JKUJKKGMOZDDJV-HOGDKLEQSA-N 0 0 338.315 3.309 10 5 endogenous,in-man EGBERN COc1ccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000000423831 277907985 /nfs/dbraw/zinc/90/79/85/277907985.db2.gz KCRJPGUOPLWCRT-INIZCTEOSA-N 0 0 330.365 3.382 10 5 EGBERN CSc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccn1 ZINC000103375098 278169766 /nfs/dbraw/zinc/16/97/66/278169766.db2.gz ZTNICYDHYXIYLQ-SNVBAGLBSA-N 0 0 329.381 3.303 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(C2CCCC2)n1 ZINC000358742900 279012990 /nfs/dbraw/zinc/01/29/90/279012990.db2.gz KMUOWPLCDQVCAE-GFCCVEGCSA-N 0 0 340.383 3.498 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000369328686 279118884 /nfs/dbraw/zinc/11/88/84/279118884.db2.gz CGRHGVRYFLOCOB-GFCCVEGCSA-N 0 0 331.397 3.476 10 5 EGBERN C[C@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(C)(C)C1 ZINC000408168026 279942052 /nfs/dbraw/zinc/94/20/52/279942052.db2.gz ZSDXHXDEMMTTEQ-QWHCGFSZSA-N 0 0 331.416 3.337 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1c(C)cccc1[N+](=O)[O-])CC2 ZINC000193772553 295335442 /nfs/dbraw/zinc/33/54/42/295335442.db2.gz IIJRHLMWBKPJRI-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000408227111 301203060 /nfs/dbraw/zinc/20/30/60/301203060.db2.gz RDWUZVJTPVJNLE-MRXNPFEDSA-N 0 0 338.411 3.248 10 5 EGBERN COC(=O)c1cc(NCC(C)(C)c2cccnc2)cc(C)c1[N+](=O)[O-] ZINC000413590248 309038704 /nfs/dbraw/zinc/03/87/04/309038704.db2.gz QLVXYINOILOPCT-UHFFFAOYSA-N 0 0 343.383 3.475 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413709050 309044509 /nfs/dbraw/zinc/04/45/09/309044509.db2.gz HBXSYJJAVHDURL-ZWKOTPCHSA-N 0 0 340.379 3.262 10 5 EGBERN COc1ccc(C(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000068177777 307369099 /nfs/dbraw/zinc/36/90/99/307369099.db2.gz NKUBAHXGAFNHDC-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=C(Nc1c(F)cccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124021703 307544676 /nfs/dbraw/zinc/54/46/76/307544676.db2.gz YJVKBIAGEFFQLQ-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN CCC(CC)(CCO)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000131002870 307637360 /nfs/dbraw/zinc/63/73/60/307637360.db2.gz IEPPUJBJTGJKER-UHFFFAOYSA-N 0 0 338.404 3.291 10 5 EGBERN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCC2 ZINC000131324173 307641296 /nfs/dbraw/zinc/64/12/96/307641296.db2.gz DKLBVJDAERVXGU-UHFFFAOYSA-N 0 0 349.437 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000131504592 307644698 /nfs/dbraw/zinc/64/46/98/307644698.db2.gz BJAQGSOMFCEFJB-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccc(F)cc3)n2)c1=O ZINC000155886243 307822978 /nfs/dbraw/zinc/82/29/78/307822978.db2.gz NIUPPRHVWXNVJF-UHFFFAOYSA-N 0 0 345.355 3.376 10 5 EGBERN Cc1cnc(OCCCc2nc(-c3cccs3)no2)c([N+](=O)[O-])c1 ZINC000157914956 307852305 /nfs/dbraw/zinc/85/23/05/307852305.db2.gz ABROQPUDTRLENX-UHFFFAOYSA-N 0 0 346.368 3.421 10 5 EGBERN CCc1noc(C)c1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158878941 307865183 /nfs/dbraw/zinc/86/51/83/307865183.db2.gz RCRDBSMQLBHZIS-LLVKDONJSA-N 0 0 338.385 3.130 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000292912492 308079252 /nfs/dbraw/zinc/07/92/52/308079252.db2.gz DBQUVANXFNPRII-UHFFFAOYSA-N 0 0 327.344 3.477 10 5 EGBERN Cc1nc(NCCc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000293058088 308094817 /nfs/dbraw/zinc/09/48/17/308094817.db2.gz MVUMCZVHNVYBEM-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414476426 309082935 /nfs/dbraw/zinc/08/29/35/309082935.db2.gz XPKBMZNBVCMBOV-IUODEOHRSA-N 0 0 332.381 3.199 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000293885749 308171241 /nfs/dbraw/zinc/17/12/41/308171241.db2.gz KVHINNGTUOSJNZ-UHFFFAOYSA-N 0 0 337.763 3.345 10 5 EGBERN CCc1noc(C)c1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000294081778 308188372 /nfs/dbraw/zinc/18/83/72/308188372.db2.gz RZRIOTUCGOIDKQ-PKNBQFBNSA-N 0 0 329.356 3.173 10 5 EGBERN CC(C)[C@]1(CO)CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000294134597 308193329 /nfs/dbraw/zinc/19/33/29/308193329.db2.gz QERGHUUKOQNERQ-GOSISDBHSA-N 0 0 329.400 3.378 10 5 EGBERN COc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([N+](=O)[O-])cc1F ZINC000294750693 308253080 /nfs/dbraw/zinc/25/30/80/308253080.db2.gz PELVDVNEDUPFES-MPEURRAXSA-N 0 0 348.374 3.393 10 5 EGBERN COC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294958090 308276195 /nfs/dbraw/zinc/27/61/95/308276195.db2.gz FSACQXXVGXOHHY-UHFFFAOYSA-N 0 0 342.779 3.020 10 5 EGBERN COC(=O)c1cc(NCCc2ncccc2C)cc(C)c1[N+](=O)[O-] ZINC000295702115 308352018 /nfs/dbraw/zinc/35/20/18/308352018.db2.gz JJABUURYTZUOFO-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000295708224 308352590 /nfs/dbraw/zinc/35/25/90/308352590.db2.gz FYDZKBRSKXGPBR-ZANVPECISA-N 0 0 346.305 3.111 10 5 EGBERN Cn1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000295886802 308371179 /nfs/dbraw/zinc/37/11/79/308371179.db2.gz WINRTBCOKCHQDR-UHFFFAOYSA-N 0 0 344.371 3.334 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296299626 308413414 /nfs/dbraw/zinc/41/34/14/308413414.db2.gz KGASELPMUYMTHB-SNVBAGLBSA-N 0 0 332.360 3.014 10 5 EGBERN C[C@]1(F)CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296412757 308424602 /nfs/dbraw/zinc/42/46/02/308424602.db2.gz LCDNNDBFDPSUHX-AWEZNQCLSA-N 0 0 329.759 3.282 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@](C)(F)C1 ZINC000296865367 308475161 /nfs/dbraw/zinc/47/51/61/308475161.db2.gz VMZUOFRBUVPQFP-HNNXBMFYSA-N 0 0 325.340 3.349 10 5 EGBERN CC[C@@H]1CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000297790074 308563925 /nfs/dbraw/zinc/56/39/25/308563925.db2.gz OIOKSLAETOZSNV-SECBINFHSA-N 0 0 328.166 3.374 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC(c2ccncn2)CC1 ZINC000298784744 308640145 /nfs/dbraw/zinc/64/01/45/308640145.db2.gz DQZQUEYFLUGESS-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOc2ccc(F)cc2F)c(Cl)c1 ZINC000301272873 308694466 /nfs/dbraw/zinc/69/44/66/308694466.db2.gz KUEJXMGBRKXUMH-UHFFFAOYSA-N 0 0 329.690 3.412 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301453909 308701042 /nfs/dbraw/zinc/70/10/42/308701042.db2.gz BBAQRRLRTOSNMQ-UHFFFAOYSA-N 0 0 348.384 3.475 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000301491553 308702331 /nfs/dbraw/zinc/70/23/31/308702331.db2.gz NRUBBAONQYDRSZ-QJWRSFSASA-N 0 0 348.399 3.134 10 5 EGBERN CCS[C@H]1CC[C@]1(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301493543 308702442 /nfs/dbraw/zinc/70/24/42/308702442.db2.gz QTRZKJZDLZIAMQ-HOCLYGCPSA-N 0 0 333.413 3.202 10 5 EGBERN CN(C[C@H]1CCCO1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301499541 308702715 /nfs/dbraw/zinc/70/27/15/308702715.db2.gz DAXDCEIZZPETRU-SECBINFHSA-N 0 0 349.265 3.137 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301602287 308706813 /nfs/dbraw/zinc/70/68/13/308706813.db2.gz JZISBSIYEYKIJW-CYBMUJFWSA-N 0 0 331.347 3.433 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000301631645 308708217 /nfs/dbraw/zinc/70/82/17/308708217.db2.gz JEWPYNCQSSEKAA-XHDPSFHLSA-N 0 0 334.351 3.027 10 5 EGBERN COC(=O)c1cc(NCCc2nc(C)c(C)s2)cc(C)c1[N+](=O)[O-] ZINC000301689205 308711098 /nfs/dbraw/zinc/71/10/98/308711098.db2.gz WTHNLDDMKPWZTP-UHFFFAOYSA-N 0 0 349.412 3.418 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301793095 308715526 /nfs/dbraw/zinc/71/55/26/308715526.db2.gz RRUUBQWFLOGFGA-GHMZBOCLSA-N 0 0 345.321 3.460 10 5 EGBERN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000301823490 308716924 /nfs/dbraw/zinc/71/69/24/308716924.db2.gz HVFGALYFYLZXQC-KOLCDFICSA-N 0 0 330.369 3.281 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)c(Cl)c1 ZINC000301868402 308719183 /nfs/dbraw/zinc/71/91/83/308719183.db2.gz GPDPRMCIMHLPCK-ZDUSSCGKSA-N 0 0 349.774 3.423 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301957077 308723040 /nfs/dbraw/zinc/72/30/40/308723040.db2.gz LDNAJEDKRPDUMO-CMPLNLGQSA-N 0 0 345.321 3.460 10 5 EGBERN CC1(C)C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)c2ccccc2O1 ZINC000301965557 308723434 /nfs/dbraw/zinc/72/34/34/308723434.db2.gz ODVCSAXVHXCNCH-GFCCVEGCSA-N 0 0 339.355 3.352 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccc(Br)cc1 ZINC000302028748 308725950 /nfs/dbraw/zinc/72/59/50/308725950.db2.gz JDBQUODQSLNVIA-UHFFFAOYSA-N 0 0 337.173 3.462 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302070209 308728000 /nfs/dbraw/zinc/72/80/00/308728000.db2.gz XYLHLIUVAHFRFX-PIGZYNQJSA-N 0 0 349.387 3.320 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnco3)cc2)c1 ZINC000302080574 308728530 /nfs/dbraw/zinc/72/85/30/308728530.db2.gz IWTFDVQCKQTYBF-UHFFFAOYSA-N 0 0 341.279 3.224 10 5 EGBERN Cn1cc(CNc2cc(CO)ccc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302187821 308732456 /nfs/dbraw/zinc/73/24/56/308732456.db2.gz QDLABWVBEVLSDY-UHFFFAOYSA-N 0 0 338.367 3.100 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000302187727 308732533 /nfs/dbraw/zinc/73/25/33/308732533.db2.gz QASIOFLFESZRIM-UHFFFAOYSA-N 0 0 340.257 3.411 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@@H](Cc4ccccc4)C3)nn21 ZINC000302465550 308737660 /nfs/dbraw/zinc/73/76/60/308737660.db2.gz BJZVFMPBKUGXLR-GJZGRUSLSA-N 0 0 337.383 3.461 10 5 EGBERN Cc1cccc2nc(C3CCN(c4ncc([N+](=O)[O-])cn4)CC3)oc21 ZINC000302479198 308737852 /nfs/dbraw/zinc/73/78/52/308737852.db2.gz GAGRUHYSVJCJPM-UHFFFAOYSA-N 0 0 339.355 3.218 10 5 EGBERN CC[C@H]1CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330546982 308796176 /nfs/dbraw/zinc/79/61/76/308796176.db2.gz VLKKLBRARCUOKZ-RYUDHWBXSA-N 0 0 343.177 3.253 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000357400515 308891710 /nfs/dbraw/zinc/89/17/10/308891710.db2.gz MXMAQYJMCPTKMJ-GXFFZTMASA-N 0 0 330.306 3.327 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC1(C)C ZINC000411038313 308924108 /nfs/dbraw/zinc/92/41/08/308924108.db2.gz XGQBXZODBJEQRM-CQSZACIVSA-N 0 0 338.429 3.393 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC1(C)C ZINC000411038310 308924143 /nfs/dbraw/zinc/92/41/43/308924143.db2.gz XGQBXZODBJEQRM-AWEZNQCLSA-N 0 0 338.429 3.393 10 5 EGBERN CCOc1cc(C(=O)NC2(C3CCC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000411115881 308927365 /nfs/dbraw/zinc/92/73/65/308927365.db2.gz UCVGKKIGOKFCNG-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000411521684 308942715 /nfs/dbraw/zinc/94/27/15/308942715.db2.gz BVYARGWYCXRNNA-CVEARBPZSA-N 0 0 326.352 3.023 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000411550307 308943809 /nfs/dbraw/zinc/94/38/09/308943809.db2.gz KDNFEPSQENZVLL-CABCVRRESA-N 0 0 326.352 3.023 10 5 EGBERN C[C@@H]1C[C@@H]1N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000411928029 308958055 /nfs/dbraw/zinc/95/80/55/308958055.db2.gz UBMHFGIMPBRVBK-WBMJQRKESA-N 0 0 325.368 3.109 10 5 EGBERN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412845933 309005753 /nfs/dbraw/zinc/00/57/53/309005753.db2.gz WGKLACKDTOUGTH-UHFFFAOYSA-N 0 0 334.372 3.032 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413362738 309028797 /nfs/dbraw/zinc/02/87/97/309028797.db2.gz SODKCIIZADNYIP-KRWDZBQOSA-N 0 0 346.387 3.029 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nc2c(s1)CCC2 ZINC000414863921 309106272 /nfs/dbraw/zinc/10/62/72/309106272.db2.gz CEOGCYBUMMVVBB-SECBINFHSA-N 0 0 329.381 3.131 10 5 EGBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416612582 309175201 /nfs/dbraw/zinc/17/52/01/309175201.db2.gz DGAVJUXZZXHYKO-VIFPVBQESA-N 0 0 332.809 3.057 10 5 EGBERN COC(=O)c1cc(N2CCC(OC3CCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000418969584 309259072 /nfs/dbraw/zinc/25/90/72/309259072.db2.gz GHKFWXVNKANJLF-UHFFFAOYSA-N 0 0 348.399 3.228 10 5 EGBERN CCc1[nH]nc(-c2nc(C[C@H](C)c3ccccc3)no2)c1[N+](=O)[O-] ZINC000420485663 309287860 /nfs/dbraw/zinc/28/78/60/309287860.db2.gz INBWOFKBTGULEE-JTQLQIEISA-N 0 0 327.344 3.277 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)CCO1 ZINC000420618047 309290367 /nfs/dbraw/zinc/29/03/67/309290367.db2.gz LMCBBUPSKLPDFN-UWVGGRQHSA-N 0 0 344.209 3.430 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420620915 309290465 /nfs/dbraw/zinc/29/04/65/309290465.db2.gz FFNKMOLZDBMRKU-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000420820933 309296519 /nfs/dbraw/zinc/29/65/19/309296519.db2.gz NABJSCCTQMUBIK-JSGCOSHPSA-N 0 0 349.456 3.488 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000421129573 309314646 /nfs/dbraw/zinc/31/46/46/309314646.db2.gz YBEORMQESVGICE-DGCLKSJQSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000421495012 309327090 /nfs/dbraw/zinc/32/70/90/309327090.db2.gz HVMTZPBGSCDFJH-KRWDZBQOSA-N 0 0 325.368 3.488 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000421661805 309333301 /nfs/dbraw/zinc/33/33/01/309333301.db2.gz ITSBPAPEQCNAFS-YPMHNXCESA-N 0 0 334.397 3.497 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000421676791 309334211 /nfs/dbraw/zinc/33/42/11/309334211.db2.gz RCMXZRBMYDPLBM-MWLCHTKSSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000421676790 309334222 /nfs/dbraw/zinc/33/42/22/309334222.db2.gz RCMXZRBMYDPLBM-KOLCDFICSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000421794689 309340367 /nfs/dbraw/zinc/34/03/67/309340367.db2.gz CZGGUHNPNWKQGT-GDBMZVCRSA-N 0 0 334.416 3.081 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000421880918 309344848 /nfs/dbraw/zinc/34/48/48/309344848.db2.gz AVOKVCQZKSCTRU-LESCRADOSA-N 0 0 346.427 3.367 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(OCCO)c1 ZINC000421900625 309345669 /nfs/dbraw/zinc/34/56/69/309345669.db2.gz XYVGONZTLLNFQN-UHFFFAOYSA-N 0 0 344.367 3.143 10 5 EGBERN CCCOc1cccnc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000429090700 309570417 /nfs/dbraw/zinc/57/04/17/309570417.db2.gz MFVWVULHIZHCQU-LBPRGKRZSA-N 0 0 329.356 3.270 10 5 EGBERN Cc1cc(=O)[nH]c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000432780758 309668340 /nfs/dbraw/zinc/66/83/40/309668340.db2.gz ORESNMFUJDVQLG-UHFFFAOYSA-N 0 0 329.356 3.055 10 5 EGBERN Cc1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000436102981 309746975 /nfs/dbraw/zinc/74/69/75/309746975.db2.gz OJWXMJSPELNEFE-UHFFFAOYSA-N 0 0 331.357 3.163 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCc2nccn2CC(F)(F)F)c(F)c1 ZINC000440597791 309852552 /nfs/dbraw/zinc/85/25/52/309852552.db2.gz UVVHKVPGSFWDBJ-UHFFFAOYSA-N 0 0 336.220 3.244 10 5 EGBERN CO[C@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000443233331 309897554 /nfs/dbraw/zinc/89/75/54/309897554.db2.gz JLUKRRIHICNVTN-GFCCVEGCSA-N 0 0 340.445 3.498 10 5 EGBERN CN(C1CCC(C)(C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443771344 309907832 /nfs/dbraw/zinc/90/78/32/309907832.db2.gz LPSFNYLQXMNOJQ-UHFFFAOYSA-N 0 0 340.445 3.325 10 5 EGBERN CCc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)o1 ZINC000445230320 309938007 /nfs/dbraw/zinc/93/80/07/309938007.db2.gz HNPMYENGQAPHHU-FPLPWBNLSA-N 0 0 326.312 3.289 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3CCCC(C)(C)C3)n2)n1C ZINC000445608573 309944344 /nfs/dbraw/zinc/94/43/44/309944344.db2.gz DCCADKCLJBHHFL-LLVKDONJSA-N 0 0 333.392 3.446 10 5 EGBERN CCCc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1 ZINC000445613036 309944470 /nfs/dbraw/zinc/94/44/70/309944470.db2.gz QDVBHARKRMJYHH-UHFFFAOYSA-N 0 0 327.344 3.306 10 5 EGBERN Cc1c(Br)c(N2C[C@H](C)O[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000445666136 309945303 /nfs/dbraw/zinc/94/53/03/309945303.db2.gz UULVIIXCVODDFY-FXBDTBDDSA-N 0 0 344.209 3.063 10 5 EGBERN CC1(c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)no2)CCCC1 ZINC000448416072 310003847 /nfs/dbraw/zinc/00/38/47/310003847.db2.gz UDBIISKNMXLTLA-UHFFFAOYSA-N 0 0 333.319 3.228 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449863250 310091333 /nfs/dbraw/zinc/09/13/33/310091333.db2.gz DUTKVQFNTNAZPL-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN CC[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000450054049 310100869 /nfs/dbraw/zinc/10/08/69/310100869.db2.gz VIQLNYRTBQMJHY-HNNXBMFYSA-N 0 0 342.399 3.088 10 5 EGBERN Cc1cnc(CCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000450121227 310104588 /nfs/dbraw/zinc/10/45/88/310104588.db2.gz VFKLYAHRWVBXRT-UHFFFAOYSA-N 0 0 331.372 3.265 10 5 EGBERN CC(C)N(Cc1cn(CC2CC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000450281075 310112748 /nfs/dbraw/zinc/11/27/48/310112748.db2.gz AUACUCNCTFQTSH-UHFFFAOYSA-N 0 0 329.404 3.007 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000450467086 310124345 /nfs/dbraw/zinc/12/43/45/310124345.db2.gz CCAVGPHGWHKQBO-QJPTWQEYSA-N 0 0 331.372 3.154 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@@H](C3CC3)[C@H]2C2CC2)c(Br)c1 ZINC000450796765 310143087 /nfs/dbraw/zinc/14/30/87/310143087.db2.gz PRAXMTLDZAQUBZ-WCQYABFASA-N 0 0 338.205 3.377 10 5 EGBERN Cc1nn([C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1[N+](=O)[O-] ZINC000450967265 310152598 /nfs/dbraw/zinc/15/25/98/310152598.db2.gz ZUOHRXFCFGYPQM-KRWDZBQOSA-N 0 0 342.399 3.424 10 5 EGBERN COc1cc(CN(C)Cc2ncc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000451380086 310175207 /nfs/dbraw/zinc/17/52/07/310175207.db2.gz XCYJYUAMDNGWMC-UHFFFAOYSA-N 0 0 345.399 3.256 10 5 EGBERN CCC(C)(C)NC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560842 310186418 /nfs/dbraw/zinc/18/64/18/310186418.db2.gz IJBRZMZBGJXRJI-HNNXBMFYSA-N 0 0 333.432 3.079 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2O1 ZINC000451665866 310191800 /nfs/dbraw/zinc/19/18/00/310191800.db2.gz QTJCPCCJDFZDKY-CYBMUJFWSA-N 0 0 340.379 3.233 10 5 EGBERN COc1cc(CN2CCOC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000451799535 310197741 /nfs/dbraw/zinc/19/77/41/310197741.db2.gz NXBRSCMLGAOLJE-QGZVFWFLSA-N 0 0 346.358 3.316 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866426 310201136 /nfs/dbraw/zinc/20/11/36/310201136.db2.gz BJGGELKWBUVECE-OLZOCXBDSA-N 0 0 345.365 3.472 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000452187092 310217547 /nfs/dbraw/zinc/21/75/47/310217547.db2.gz CGEDOXKGLYXENB-MRXNPFEDSA-N 0 0 347.321 3.384 10 5 EGBERN O=C(NCCCC1CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000452211651 310218993 /nfs/dbraw/zinc/21/89/93/310218993.db2.gz XZMNYPMZBBPMQG-UHFFFAOYSA-N 0 0 343.383 3.080 10 5 EGBERN Cc1cnc(CCCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000452346796 310224392 /nfs/dbraw/zinc/22/43/92/310224392.db2.gz RUZGCEXKFWYKLS-UHFFFAOYSA-N 0 0 331.372 3.265 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452607953 310234524 /nfs/dbraw/zinc/23/45/24/310234524.db2.gz VCLHXWRWFUREBU-ZYNLMZJJSA-N 0 0 337.379 3.360 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000452861549 310246221 /nfs/dbraw/zinc/24/62/21/310246221.db2.gz YHKXSCASCWSTDI-WBVHZDCISA-N 0 0 334.416 3.095 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000452868565 310246594 /nfs/dbraw/zinc/24/65/94/310246594.db2.gz GBMRHPZAXDPZPT-LRDDRELGSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000452883395 310247254 /nfs/dbraw/zinc/24/72/54/310247254.db2.gz KYPYAZFIRPFOMW-SJKOYZFVSA-N 0 0 345.399 3.257 10 5 EGBERN CC(=O)N(c1nc(/C=C\c2ccnc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000453036413 310253705 /nfs/dbraw/zinc/25/37/05/310253705.db2.gz SLEHYZCTNGHWFH-IHWYPQMZSA-N 0 0 330.369 3.132 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CSC3CC3)n2)c2c1NCCC2 ZINC000453242580 310266239 /nfs/dbraw/zinc/26/62/39/310266239.db2.gz VXTYWYJCRMIBOT-UHFFFAOYSA-N 0 0 332.385 3.399 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000454150679 310294698 /nfs/dbraw/zinc/29/46/98/310294698.db2.gz QRTZOQWEVUCWLV-USXIJHARSA-N 0 0 347.415 3.451 10 5 EGBERN O=C(NCCCC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000454261637 310300074 /nfs/dbraw/zinc/30/00/74/310300074.db2.gz ICEUYSBFEIXEEJ-UHFFFAOYSA-N 0 0 325.340 3.062 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000454937499 310336645 /nfs/dbraw/zinc/33/66/45/310336645.db2.gz CSLIEZJKJDPLRW-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000455157115 310347707 /nfs/dbraw/zinc/34/77/07/310347707.db2.gz DLMCLIJOFQJGNS-DJIMGWMZSA-N 0 0 347.415 3.451 10 5 EGBERN CCC1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455402002 310359153 /nfs/dbraw/zinc/35/91/53/310359153.db2.gz NFVCCEGXUVRVKC-UHFFFAOYSA-N 0 0 328.166 3.231 10 5 EGBERN COC(=O)c1cc(NC(=O)C2(C3CCC3)CCC2)cc([N+](=O)[O-])c1 ZINC000455747312 310375420 /nfs/dbraw/zinc/37/54/20/310375420.db2.gz IESROFTYSOGNJP-UHFFFAOYSA-N 0 0 332.356 3.290 10 5 EGBERN CC(C)(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CCC1 ZINC000456137902 310390187 /nfs/dbraw/zinc/39/01/87/310390187.db2.gz APACUOSCONZMCO-UHFFFAOYSA-N 0 0 343.383 3.217 10 5 EGBERN CC(C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCC1 ZINC000456141554 310390412 /nfs/dbraw/zinc/39/04/12/310390412.db2.gz GFOLMLFYDRXNBI-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN COCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)o1 ZINC000456190398 310392756 /nfs/dbraw/zinc/39/27/56/310392756.db2.gz PMXUMFFUTMLJHN-UHFFFAOYSA-N 0 0 333.344 3.407 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC12CCC(CC1)CC2 ZINC000456244895 310394671 /nfs/dbraw/zinc/39/46/71/310394671.db2.gz IBMRTKZYHKXUJJ-UHFFFAOYSA-N 0 0 327.384 3.389 10 5 EGBERN CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456307222 310397607 /nfs/dbraw/zinc/39/76/07/310397607.db2.gz ZFEBEWHWIOGWJL-QWRGUYRKSA-N 0 0 328.315 3.218 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456307930 310397692 /nfs/dbraw/zinc/39/76/92/310397692.db2.gz ULSXKVNXBHJNCP-WBVHZDCISA-N 0 0 325.368 3.337 10 5 EGBERN CCc1ncc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000456487955 310408879 /nfs/dbraw/zinc/40/88/79/310408879.db2.gz KQZCWWPPCSBPMD-UHFFFAOYSA-N 0 0 343.261 3.094 10 5 EGBERN O=C(NCCC[C@H]1CCOC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456780209 310422156 /nfs/dbraw/zinc/42/21/56/310422156.db2.gz VTIWJAALGAKQBL-JTQLQIEISA-N 0 0 346.305 3.160 10 5 EGBERN CN(c1ccccc1)c1ccc(CN2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000459597777 310563448 /nfs/dbraw/zinc/56/34/48/310563448.db2.gz VLDSPILVTGVPDQ-UHFFFAOYSA-N 0 0 341.411 3.177 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000465621639 310635055 /nfs/dbraw/zinc/63/50/55/310635055.db2.gz AXRPASYKOXXYQT-DLBZAZTESA-N 0 0 346.431 3.275 10 5 EGBERN Cc1cc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc(C)c1O ZINC000468989985 310697161 /nfs/dbraw/zinc/69/71/61/310697161.db2.gz NNVHSCHEPAQCHR-UHFFFAOYSA-N 0 0 347.346 3.421 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@H]1CCCC[C@@H]1O ZINC000473518642 310776276 /nfs/dbraw/zinc/77/62/76/310776276.db2.gz KXQFELXMKUVXKR-DYVFJYSZSA-N 0 0 329.400 3.308 10 5 EGBERN CC(C)CN(CC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474308287 310790062 /nfs/dbraw/zinc/79/00/62/310790062.db2.gz SYJOMLNLODYBEQ-UHFFFAOYSA-N 0 0 334.463 3.349 10 5 EGBERN COc1ccc(CNC(=O)C/C=C\c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474542211 310795678 /nfs/dbraw/zinc/79/56/78/310795678.db2.gz ATIJUIBMGHGUGJ-IHWYPQMZSA-N 0 0 344.342 3.462 10 5 EGBERN CCCC(O)(CCC)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000474782005 310799202 /nfs/dbraw/zinc/79/92/02/310799202.db2.gz BECZBJURJXRBGJ-UHFFFAOYSA-N 0 0 338.404 3.433 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000475648537 310815267 /nfs/dbraw/zinc/81/52/67/310815267.db2.gz JCAYUPAELCWDNH-HUUCEWRRSA-N 0 0 347.415 3.492 10 5 EGBERN COc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000475927305 310819780 /nfs/dbraw/zinc/81/97/80/310819780.db2.gz QDIVKRPOBNENRP-ZBEGNZNMSA-N 0 0 326.352 3.267 10 5 EGBERN CO[C@]1(C)C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000477345513 310843389 /nfs/dbraw/zinc/84/33/89/310843389.db2.gz AJMURJMFHLCHMF-MLGOLLRUSA-N 0 0 340.807 3.490 10 5 EGBERN Cc1ccc2c(c1)CC[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)O2 ZINC000483115690 310942329 /nfs/dbraw/zinc/94/23/29/310942329.db2.gz CODCRHYFHJYCFV-QGZVFWFLSA-N 0 0 326.352 3.260 10 5 EGBERN Cc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)c1O ZINC000486668252 310996819 /nfs/dbraw/zinc/99/68/19/310996819.db2.gz SREOGVFFXGDSQZ-UHFFFAOYSA-N 0 0 336.294 3.377 10 5 EGBERN COC(=O)c1cc(NC(=O)NCC2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486852832 311000556 /nfs/dbraw/zinc/00/05/56/311000556.db2.gz FURNVAIXPCDSLO-UHFFFAOYSA-N 0 0 349.387 3.392 10 5 EGBERN O=C1CCN1c1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000487730980 311035637 /nfs/dbraw/zinc/03/56/37/311035637.db2.gz LSYWMRARXSVKQC-UHFFFAOYSA-N 0 0 334.335 3.045 10 5 EGBERN O=c1c2ccccc2n(Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC000487901612 311041874 /nfs/dbraw/zinc/04/18/74/311041874.db2.gz WEDYQJXHCKYVFZ-UHFFFAOYSA-N 0 0 339.282 3.238 10 5 EGBERN C[C@@H](CCO)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC1 ZINC000488106161 311051391 /nfs/dbraw/zinc/05/13/91/311051391.db2.gz WZARGRHQNXDAFD-ZDUSSCGKSA-N 0 0 329.400 3.166 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCn1cnc2ccccc21 ZINC000488108075 311051643 /nfs/dbraw/zinc/05/16/43/311051643.db2.gz HMSRLYHBEUSPAQ-UHFFFAOYSA-N 0 0 333.351 3.027 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1C ZINC000488108642 311051727 /nfs/dbraw/zinc/05/17/27/311051727.db2.gz ISQKIMYSAVPLEG-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000488787771 311079912 /nfs/dbraw/zinc/07/99/12/311079912.db2.gz AOCYSMMCBGWTDM-JKSUJKDBSA-N 0 0 340.445 3.229 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000488947291 311086378 /nfs/dbraw/zinc/08/63/78/311086378.db2.gz OXGDDIIOOGQZSV-UHFFFAOYSA-N 0 0 332.306 3.000 10 5 EGBERN COc1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)ccc1[N+](=O)[O-] ZINC000488979400 311087763 /nfs/dbraw/zinc/08/77/63/311087763.db2.gz MCAWKIYMYYDJGL-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CC[C@@H](NC(=O)c1ncc(C)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000489717682 311117247 /nfs/dbraw/zinc/11/72/47/311117247.db2.gz PFJZSXWDXJHIOY-CQSZACIVSA-N 0 0 329.356 3.188 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cccc(F)c32)cc1[N+](=O)[O-] ZINC000491072473 311163364 /nfs/dbraw/zinc/16/33/64/311163364.db2.gz AKLLORHHAAVHIO-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1=Cc2ccccc2OC1 ZINC000504285663 312002765 /nfs/dbraw/zinc/00/27/65/312002765.db2.gz CMMNUIXEOMUQCA-GFCCVEGCSA-N 0 0 336.347 3.348 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000515721470 312295625 /nfs/dbraw/zinc/29/56/25/312295625.db2.gz SKOBXDDJWBRZTM-OAHLLOKOSA-N 0 0 335.363 3.363 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000516247957 312316778 /nfs/dbraw/zinc/31/67/78/312316778.db2.gz ORQICKVEJBNKOV-HOTGVXAUSA-N 0 0 327.384 3.390 10 5 EGBERN CCc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000516679101 312337330 /nfs/dbraw/zinc/33/73/30/312337330.db2.gz LXQJROFCAKFNAG-UHFFFAOYSA-N 0 0 334.322 3.294 10 5 EGBERN Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516929800 312351440 /nfs/dbraw/zinc/35/14/40/312351440.db2.gz QEVFEWVGKZJTLA-AWEZNQCLSA-N 0 0 335.404 3.134 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000521015454 312528089 /nfs/dbraw/zinc/52/80/89/312528089.db2.gz HDMOFQGZNZFDAD-CYBMUJFWSA-N 0 0 348.399 3.356 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525040859 312693513 /nfs/dbraw/zinc/69/35/13/312693513.db2.gz BWRPJZRMBSCVMX-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000526932743 312803560 /nfs/dbraw/zinc/80/35/60/312803560.db2.gz XDYOQSLOXBIDHC-RKDXNWHRSA-N 0 0 332.278 3.159 10 5 EGBERN CCCCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000058176535 454168649 /nfs/dbraw/zinc/16/86/49/454168649.db2.gz WBEQGPIFMRIFOL-UHFFFAOYSA-N 0 0 344.433 3.193 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(=Cc2ccccc2F)CC1 ZINC000531633238 313693311 /nfs/dbraw/zinc/69/33/11/313693311.db2.gz MJQWZTHYFNHBHO-UHFFFAOYSA-N 0 0 341.342 3.449 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000531888045 313726643 /nfs/dbraw/zinc/72/66/43/313726643.db2.gz JOEVDQNHQSGIPN-UHFFFAOYSA-N 0 0 333.294 3.073 10 5 EGBERN O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532138892 313760075 /nfs/dbraw/zinc/76/00/75/313760075.db2.gz PYFYNIZOTHIBOO-UHFFFAOYSA-N 0 0 325.246 3.347 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000532138932 313760102 /nfs/dbraw/zinc/76/01/02/313760102.db2.gz DHZUVIFUPPKEFO-LSDHHAIUSA-N 0 0 335.404 3.046 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC000534420746 313980922 /nfs/dbraw/zinc/98/09/22/313980922.db2.gz AJODYPRWJXYFJA-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN CC(C)(C)C1=CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000535360492 314042829 /nfs/dbraw/zinc/04/28/29/314042829.db2.gz RENDLMIEJIDVEK-UHFFFAOYSA-N 0 0 330.431 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000536779350 314145032 /nfs/dbraw/zinc/14/50/32/314145032.db2.gz OUADJLIOKBEOGR-MAUKXSAKSA-N 0 0 340.379 3.411 10 5 EGBERN CCc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538262231 314235311 /nfs/dbraw/zinc/23/53/11/314235311.db2.gz ODYJNBGDPQAMPN-ZDUSSCGKSA-N 0 0 328.368 3.413 10 5 EGBERN CCCCCOC1CN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000539291653 314304841 /nfs/dbraw/zinc/30/48/41/314304841.db2.gz INNNJSGCWGISNL-ZDUSSCGKSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000540421218 314379968 /nfs/dbraw/zinc/37/99/68/314379968.db2.gz IHMAQCVSHYTVEC-GOSISDBHSA-N 0 0 325.368 3.014 10 5 EGBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000540532376 314387152 /nfs/dbraw/zinc/38/71/52/314387152.db2.gz UYWRCXSHVOFDPZ-ZDUSSCGKSA-N 0 0 347.758 3.287 10 5 EGBERN Cc1ccc(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC000540984866 314427125 /nfs/dbraw/zinc/42/71/25/314427125.db2.gz ASBNXLKVRRKYHJ-UHFFFAOYSA-N 0 0 340.282 3.070 10 5 EGBERN COc1cccc(N2CC[C@@H](Nc3nc(C)cc(C)c3[N+](=O)[O-])C2)c1 ZINC000541006151 314428147 /nfs/dbraw/zinc/42/81/47/314428147.db2.gz MTOOCAHOFHFPKP-CQSZACIVSA-N 0 0 342.399 3.306 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1F ZINC000544623257 314707561 /nfs/dbraw/zinc/70/75/61/314707561.db2.gz SHKHBVSJSGEAKY-UHFFFAOYSA-N 0 0 339.273 3.376 10 5 EGBERN Cc1cccc(C(=O)NCc2ccncc2C(F)(F)F)c1[N+](=O)[O-] ZINC000548384435 315001909 /nfs/dbraw/zinc/00/19/09/315001909.db2.gz JPQMMDXIUCUDLG-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)(CNC(=O)CSc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000548891529 315059951 /nfs/dbraw/zinc/05/99/51/315059951.db2.gz FFAXATIHCYULAU-UHFFFAOYSA-N 0 0 336.335 3.392 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000552104650 315198448 /nfs/dbraw/zinc/19/84/48/315198448.db2.gz OWUXHNOKSZTBGP-UHFFFAOYSA-N 0 0 334.335 3.188 10 5 EGBERN COC(=O)c1cc(C)nc(N(CC2CC2)CC2CCC2)c1[N+](=O)[O-] ZINC000553208400 315250996 /nfs/dbraw/zinc/25/09/96/315250996.db2.gz FFPPKFQQQUBMKZ-UHFFFAOYSA-N 0 0 333.388 3.101 10 5 EGBERN CCCC[C@H]1CCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553369950 315260247 /nfs/dbraw/zinc/26/02/47/315260247.db2.gz HXUQKHJCXJUKLU-SMDDNHRTSA-N 0 0 330.388 3.436 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(C(C)(C)C)nc1 ZINC000554691631 315343183 /nfs/dbraw/zinc/34/31/83/315343183.db2.gz JUGZGTKLIFSVCF-LLVKDONJSA-N 0 0 340.383 3.274 10 5 EGBERN Cc1cn2c(nc(C)c2-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)s1 ZINC000555611809 315394328 /nfs/dbraw/zinc/39/43/28/315394328.db2.gz QVBRBYNDZJGDEV-UHFFFAOYSA-N 0 0 342.340 3.033 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC(c2ccccc2F)C1 ZINC000562916137 315919999 /nfs/dbraw/zinc/91/99/99/315919999.db2.gz OZMWADOHJMUZCT-UHFFFAOYSA-N 0 0 329.331 3.043 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1cn3ccsc3n1)CCCC2 ZINC000564893972 316228111 /nfs/dbraw/zinc/22/81/11/316228111.db2.gz QZYDTJHRKJLMRG-UHFFFAOYSA-N 0 0 329.385 3.190 10 5 EGBERN CC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000565684276 316356259 /nfs/dbraw/zinc/35/62/59/316356259.db2.gz QAHRBBWSXANZMI-JQWIXIFHSA-N 0 0 346.305 3.301 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000565895500 316384630 /nfs/dbraw/zinc/38/46/30/316384630.db2.gz UEDOFXBCVGTULQ-JKSUJKDBSA-N 0 0 332.400 3.436 10 5 EGBERN CCc1cc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000567727280 316665195 /nfs/dbraw/zinc/66/51/95/316665195.db2.gz IEWZUFYKVIIMQC-MRXNPFEDSA-N 0 0 330.384 3.317 10 5 EGBERN O=C(NCC[C@@H]1CCCCO1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569392607 316907224 /nfs/dbraw/zinc/90/72/24/316907224.db2.gz RZYQGJJCAAFEAK-JTQLQIEISA-N 0 0 346.305 3.303 10 5 EGBERN Cc1cc(NC2CCC(C[NH+](C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569930455 316984615 /nfs/dbraw/zinc/98/46/15/316984615.db2.gz HUUWNLFNBLTIDX-UHFFFAOYSA-N 0 0 335.404 3.134 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571465591 317202638 /nfs/dbraw/zinc/20/26/38/317202638.db2.gz KAUWDVZOCITUGD-KDOFPFPSSA-N 0 0 332.400 3.118 10 5 EGBERN CCOC(=O)CC1(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000574571063 317612476 /nfs/dbraw/zinc/61/24/76/317612476.db2.gz RLAIWGWGMVBVRG-ZDUSSCGKSA-N 0 0 348.399 3.081 10 5 EGBERN Cc1cc(N2CCS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171608221 323242430 /nfs/dbraw/zinc/24/24/30/323242430.db2.gz ASDVHNLTIJLDAH-LBPRGKRZSA-N 0 0 330.413 3.302 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000182025690 323520158 /nfs/dbraw/zinc/52/01/58/323520158.db2.gz CYMJCUOJFIEJJZ-IBGZPJMESA-N 0 0 339.395 3.322 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4cccnc4)on3)n2)s1 ZINC000350823795 324124759 /nfs/dbraw/zinc/12/47/59/324124759.db2.gz NRPZGNTXRWURFQ-UHFFFAOYSA-N 0 0 341.308 3.423 10 5 EGBERN C[C@@H]1CCn2ncc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)c2C1 ZINC000351329467 324226478 /nfs/dbraw/zinc/22/64/78/324226478.db2.gz MXGCTXAKPAHFBB-LLVKDONJSA-N 0 0 339.355 3.014 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000495150502 324381584 /nfs/dbraw/zinc/38/15/84/324381584.db2.gz KAIQZYCWHBTLOE-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCN=c3[nH]c4c(cccc4F)o3)c2c1 ZINC000575780389 324479164 /nfs/dbraw/zinc/47/91/64/324479164.db2.gz YQGZRRFTZJNPAU-UHFFFAOYSA-N 0 0 340.314 3.433 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCSC3)C2)cc1C(F)(F)F ZINC000575984290 324522097 /nfs/dbraw/zinc/52/20/97/324522097.db2.gz RHOAEPAVQIQDCV-ZDUSSCGKSA-N 0 0 348.346 3.326 10 5 EGBERN C[C@H](C(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579345701 325097763 /nfs/dbraw/zinc/09/77/63/325097763.db2.gz JCYOCVOLRDNYLI-ULFGMLNVSA-N 0 0 328.343 3.452 10 5 EGBERN COC(=O)c1cc(NC[C@H]2COc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000579516926 325121425 /nfs/dbraw/zinc/12/14/25/325121425.db2.gz IDTGNIDVHXCQCE-LBPRGKRZSA-N 0 0 342.351 3.278 10 5 EGBERN C[C@H](C(=O)NCCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000581522950 325368011 /nfs/dbraw/zinc/36/80/11/325368011.db2.gz RCSANBFEVYRDAP-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000582678697 325461730 /nfs/dbraw/zinc/46/17/30/325461730.db2.gz JYMBSTWFZAXJHG-CQSZACIVSA-N 0 0 349.431 3.349 10 5 EGBERN C[S@@](=O)Cc1cccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000583200380 325503595 /nfs/dbraw/zinc/50/35/95/325503595.db2.gz IOGWMJKZNQJXFV-XMMPIXPASA-N 0 0 345.424 3.491 10 5 EGBERN Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc(C)c1C ZINC000002642534 452710033 /nfs/dbraw/zinc/71/00/33/452710033.db2.gz IEXFPDCFUHJIKV-LBPRGKRZSA-N 0 0 346.412 3.429 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccccc1F ZINC000003285305 452758115 /nfs/dbraw/zinc/75/81/15/452758115.db2.gz WPPDUXASVVDFNA-JTQLQIEISA-N 0 0 333.319 3.182 10 5 EGBERN COc1cc(C(=O)NCC2(C(F)(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC000600698208 460572438 /nfs/dbraw/zinc/57/24/38/460572438.db2.gz XDIXJJPECDDUQO-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000006062203 452918381 /nfs/dbraw/zinc/91/83/81/452918381.db2.gz OKNOIOMAKYWSJI-UHFFFAOYSA-N 0 0 335.699 3.239 10 5 EGBERN COc1ccccc1CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007067365 453028550 /nfs/dbraw/zinc/02/85/50/453028550.db2.gz JDSDLIVNUQVYQK-ZDUSSCGKSA-N 0 0 328.368 3.366 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000009932014 453268511 /nfs/dbraw/zinc/26/85/11/453268511.db2.gz IPKOITVPPFSKBR-SNVBAGLBSA-N 0 0 331.294 3.051 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccnc1 ZINC000174031247 455353454 /nfs/dbraw/zinc/35/34/54/455353454.db2.gz UZRDLPZXCPZDTE-SECBINFHSA-N 0 0 337.282 3.333 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(Cc2cccs2)C1 ZINC000600762376 460595287 /nfs/dbraw/zinc/59/52/87/460595287.db2.gz WVEQKFBEJHAUKB-DLBZAZTESA-N 0 0 342.420 3.461 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CCCC3(CC3)CC2)cc([N+](=O)[O-])c1 ZINC000600769296 460596037 /nfs/dbraw/zinc/59/60/37/460596037.db2.gz LUEPFHSVDPILAV-UHFFFAOYSA-N 0 0 346.383 3.178 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600807012 460611039 /nfs/dbraw/zinc/61/10/39/460611039.db2.gz UJEZCLXPYMNCAA-ZZKXABKFSA-N 0 0 328.372 3.290 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600808530 460611858 /nfs/dbraw/zinc/61/18/58/460611858.db2.gz LXCRIAKSBFWYSU-NQHOJNORSA-N 0 0 348.399 3.187 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2c2ncccc2[N+](=O)[O-])c1 ZINC000026759989 453805120 /nfs/dbraw/zinc/80/51/20/453805120.db2.gz WLIIPNHNHCWBKD-AWEZNQCLSA-N 0 0 329.356 3.349 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2c2ncccc2[N+](=O)[O-])c1 ZINC000026759992 453805399 /nfs/dbraw/zinc/80/53/99/453805399.db2.gz WLIIPNHNHCWBKD-CQSZACIVSA-N 0 0 329.356 3.349 10 5 EGBERN CCOC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)C1CCCCC1 ZINC000027522244 453817697 /nfs/dbraw/zinc/81/76/97/453817697.db2.gz HJSNWNCHHPTZKX-QINSGFPZSA-N 0 0 346.383 3.195 10 5 EGBERN CCN1C(=O)c2ccccc2N[C@H]1c1ccc(NC)c([N+](=O)[O-])c1 ZINC000030542254 453836506 /nfs/dbraw/zinc/83/65/06/453836506.db2.gz YKVZBYPDDAQIRY-MRXNPFEDSA-N 0 0 326.356 3.223 10 5 EGBERN Cc1ccc(C(=O)COC(=O)C=Cc2ccc([N+](=O)[O-])o2)cc1C ZINC000032169872 453865729 /nfs/dbraw/zinc/86/57/29/453865729.db2.gz GLTPPVNYZGTSSB-VURMDHGXSA-N 0 0 329.308 3.244 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000053555967 453887822 /nfs/dbraw/zinc/88/78/22/453887822.db2.gz SLKPMWQHIQKBPO-MNOVXSKESA-N 0 0 345.321 3.487 10 5 EGBERN CN(C)c1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000032769701 453889950 /nfs/dbraw/zinc/88/99/50/453889950.db2.gz DVCUSKDMKGXPJS-UHFFFAOYSA-N 0 0 329.356 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067091452 453902015 /nfs/dbraw/zinc/90/20/15/453902015.db2.gz GYTGBOCOEJLJMH-HIFRSBDPSA-N 0 0 330.315 3.028 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000054125963 453912178 /nfs/dbraw/zinc/91/21/78/453912178.db2.gz BMGJLLQEWJUEOU-LLVKDONJSA-N 0 0 329.356 3.188 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000084012217 453964632 /nfs/dbraw/zinc/96/46/32/453964632.db2.gz ZTBFNMVVCRZODT-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1CCC(C(F)(F)F)CC1 ZINC000042123970 453996124 /nfs/dbraw/zinc/99/61/24/453996124.db2.gz XGOIEIJDONAPQT-UHFFFAOYSA-N 0 0 346.305 3.211 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nnc3ccccn32)c(C(F)(F)F)c1 ZINC000068659980 454042511 /nfs/dbraw/zinc/04/25/11/454042511.db2.gz KOLPLLDGWHRTRR-UHFFFAOYSA-N 0 0 337.261 3.268 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc(F)cc1[N+](=O)[O-] ZINC000056350824 454052940 /nfs/dbraw/zinc/05/29/40/454052940.db2.gz GDMFXVULRNCMTG-ZDUSSCGKSA-N 0 0 349.749 3.387 10 5 EGBERN CC(C)c1csc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000043600987 454069455 /nfs/dbraw/zinc/06/94/55/454069455.db2.gz LCLKBQPYLCDKGU-UHFFFAOYSA-N 0 0 349.416 3.408 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000069068643 454077408 /nfs/dbraw/zinc/07/74/08/454077408.db2.gz VMFPEIRGWDCWNH-UHFFFAOYSA-N 0 0 331.347 3.166 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000044350728 454097687 /nfs/dbraw/zinc/09/76/87/454097687.db2.gz AQBRYRORLRQYIL-VIFPVBQESA-N 0 0 336.369 3.165 10 5 EGBERN COc1ccc(F)c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088409231 454104423 /nfs/dbraw/zinc/10/44/23/454104423.db2.gz MEVHQRSODALLKR-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000069476531 454109911 /nfs/dbraw/zinc/10/99/11/454109911.db2.gz OZXXGNINNBTXJZ-MRXNPFEDSA-N 0 0 340.379 3.281 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nccs1 ZINC000088578141 454113094 /nfs/dbraw/zinc/11/30/94/454113094.db2.gz WQJSQHKDKGNGQO-AWEZNQCLSA-N 0 0 346.412 3.270 10 5 EGBERN O=C(c1n[nH]c(C2CC2)c1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC000088591485 454113380 /nfs/dbraw/zinc/11/33/80/454113380.db2.gz AEHIZNODTPGKSA-UHFFFAOYSA-N 0 0 332.747 3.052 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(CCOCCOc1ccccc1)CC2 ZINC000088607565 454115946 /nfs/dbraw/zinc/11/59/46/454115946.db2.gz CGNQEOUSGYYDCG-UHFFFAOYSA-N 0 0 342.395 3.049 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000077521423 454117223 /nfs/dbraw/zinc/11/72/23/454117223.db2.gz JATFTAKNPQPGML-INIZCTEOSA-N 0 0 341.367 3.145 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000088795871 454121628 /nfs/dbraw/zinc/12/16/28/454121628.db2.gz SDJXDXIEGUJOSU-SECBINFHSA-N 0 0 344.389 3.143 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000159803896 455404977 /nfs/dbraw/zinc/40/49/77/455404977.db2.gz DBVFBQJBUINART-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000045116722 454139352 /nfs/dbraw/zinc/13/93/52/454139352.db2.gz PXKCZMPMBSJOJQ-UHFFFAOYSA-N 0 0 348.380 3.008 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000045415107 454158839 /nfs/dbraw/zinc/15/88/39/454158839.db2.gz VKXYZEYLUQBBQF-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1F ZINC000130195900 454180220 /nfs/dbraw/zinc/18/02/20/454180220.db2.gz WQOZTIRXIKZHPM-UHFFFAOYSA-N 0 0 343.358 3.337 10 5 EGBERN Cc1nc2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000045931991 454196757 /nfs/dbraw/zinc/19/67/57/454196757.db2.gz OAMPPAOSFWMBMG-UHFFFAOYSA-N 0 0 327.296 3.062 10 5 EGBERN CCOc1ccc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000071499589 454208811 /nfs/dbraw/zinc/20/88/11/454208811.db2.gz GUERNPXRBURKCC-UHFFFAOYSA-N 0 0 328.324 3.033 10 5 EGBERN CSCCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000130800590 454219216 /nfs/dbraw/zinc/21/92/16/454219216.db2.gz QMXNKEQFUHUGKD-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN Cc1nnc(COc2ccc([N+](=O)[O-])cc2-c2cccs2)n1C ZINC000095939532 454234849 /nfs/dbraw/zinc/23/48/49/454234849.db2.gz ULWKNNLLISHNOK-UHFFFAOYSA-N 0 0 330.369 3.339 10 5 EGBERN Cc1c(Br)c(NCc2ccc(Cl)o2)ncc1[N+](=O)[O-] ZINC000612437848 460629496 /nfs/dbraw/zinc/62/94/96/460629496.db2.gz AWFRUKLZNVLMOA-UHFFFAOYSA-N 0 0 346.568 3.341 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(C3OCCO3)cc2)c([N+](=O)[O-])c1 ZINC000071920586 454258428 /nfs/dbraw/zinc/25/84/28/454258428.db2.gz IPKHJHLRGHWXCZ-UHFFFAOYSA-N 0 0 345.311 3.161 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120344920 454289401 /nfs/dbraw/zinc/28/94/01/454289401.db2.gz BNQZFNRYKMAYLH-OLZOCXBDSA-N 0 0 349.387 3.065 10 5 EGBERN CC[C@H](NC(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090424923 454304161 /nfs/dbraw/zinc/30/41/61/454304161.db2.gz KTEPWSZUYNQFMN-NSHDSACASA-N 0 0 336.335 3.458 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277233 454314138 /nfs/dbraw/zinc/31/41/38/454314138.db2.gz PLDQGWONDIZTPS-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(=O)[nH]1 ZINC000120592156 454323300 /nfs/dbraw/zinc/32/33/00/454323300.db2.gz APKPVLCECDOAEY-LLVKDONJSA-N 0 0 341.367 3.410 10 5 EGBERN CCOC1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090689430 454336877 /nfs/dbraw/zinc/33/68/77/454336877.db2.gz KYVFTKRBHVIXPW-INIZCTEOSA-N 0 0 335.404 3.256 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000061434516 454339829 /nfs/dbraw/zinc/33/98/29/454339829.db2.gz KCHWPQBSBMQPTB-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](C4CCCCC4)C3)c2c1 ZINC000612457776 460633315 /nfs/dbraw/zinc/63/33/15/460633315.db2.gz PKFHAVGFAVRKMF-KRWDZBQOSA-N 0 0 342.399 3.324 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1C ZINC000063186989 454396530 /nfs/dbraw/zinc/39/65/30/454396530.db2.gz ANXXXUIDHIGNFI-HOTGVXAUSA-N 0 0 346.408 3.046 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cscn1 ZINC000097085643 454403163 /nfs/dbraw/zinc/40/31/63/454403163.db2.gz OVAPRRBOAICSMM-UHFFFAOYSA-N 0 0 343.817 3.113 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1ccnc1 ZINC000097162537 454419790 /nfs/dbraw/zinc/41/97/90/454419790.db2.gz GIKBJKBKEPCSNR-XHDPSFHLSA-N 0 0 348.790 3.168 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000121351529 454425408 /nfs/dbraw/zinc/42/54/08/454425408.db2.gz UGLFNBBFQQUSNS-MRXNPFEDSA-N 0 0 346.408 3.432 10 5 EGBERN C[C@@H](c1ccc(F)c(F)c1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000091426577 454434693 /nfs/dbraw/zinc/43/46/93/454434693.db2.gz LWRDNKFIYHYHEV-VIFPVBQESA-N 0 0 333.298 3.113 10 5 EGBERN CC(C)c1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000048317124 454472945 /nfs/dbraw/zinc/47/29/45/454472945.db2.gz WWNQIJKPOAFVDK-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094488 454519769 /nfs/dbraw/zinc/51/97/69/454519769.db2.gz XRADQWIYNIKYLW-RDTXWAMCSA-N 0 0 348.349 3.489 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1OC ZINC000103377183 454552418 /nfs/dbraw/zinc/55/24/18/454552418.db2.gz ABSVXNNRLFIXRK-LLVKDONJSA-N 0 0 342.351 3.203 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000104456144 454586951 /nfs/dbraw/zinc/58/69/51/454586951.db2.gz UUHCELZPMFVARO-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000092658684 454603297 /nfs/dbraw/zinc/60/32/97/454603297.db2.gz DZMYLDKKBAZRNG-AWEZNQCLSA-N 0 0 328.324 3.186 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)CCCC2 ZINC000065619249 454605386 /nfs/dbraw/zinc/60/53/86/454605386.db2.gz STLFMIRLFWLVQS-UHFFFAOYSA-N 0 0 340.379 3.152 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000065771864 454622143 /nfs/dbraw/zinc/62/21/43/454622143.db2.gz PVYGRIZUDRMNCI-MRXNPFEDSA-N 0 0 348.790 3.102 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814928 454627387 /nfs/dbraw/zinc/62/73/87/454627387.db2.gz WQTNXKMVKUEACE-KCXRBIIJSA-N 0 0 345.355 3.154 10 5 EGBERN Cc1cccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000074764052 454631259 /nfs/dbraw/zinc/63/12/59/454631259.db2.gz XBPWJTVXVDNAAF-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000074809563 454639148 /nfs/dbraw/zinc/63/91/48/454639148.db2.gz JMAXATDGFIMSAI-KBPBESRZSA-N 0 0 348.790 3.358 10 5 EGBERN CCCC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066001576 454648652 /nfs/dbraw/zinc/64/86/52/454648652.db2.gz SDAHPIZWZBQCLM-UHFFFAOYSA-N 0 0 332.447 3.294 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000105852928 454660138 /nfs/dbraw/zinc/66/01/38/454660138.db2.gz PBULLAGYJMIJGB-OAHLLOKOSA-N 0 0 342.399 3.139 10 5 EGBERN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C(N)=O)cs1 ZINC000081003394 454669048 /nfs/dbraw/zinc/66/90/48/454669048.db2.gz FOQLVWRXSNBJED-VIFPVBQESA-N 0 0 334.401 3.447 10 5 EGBERN COc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161579141 454704429 /nfs/dbraw/zinc/70/44/29/454704429.db2.gz HETOYHIRHAKZLD-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000106696388 454713967 /nfs/dbraw/zinc/71/39/67/454713967.db2.gz MLMXZRJNABVOSU-OAHLLOKOSA-N 0 0 349.431 3.448 10 5 EGBERN Cc1ccc(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000161730415 454718265 /nfs/dbraw/zinc/71/82/65/454718265.db2.gz OAABLFHDDFGNKT-UHFFFAOYSA-N 0 0 336.351 3.336 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)OCC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161861649 454730010 /nfs/dbraw/zinc/73/00/10/454730010.db2.gz VTEGAXPDNRJFNZ-NSHDSACASA-N 0 0 329.356 3.205 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176463882 454748670 /nfs/dbraw/zinc/74/86/70/454748670.db2.gz DYSZCVQJQZEFBO-CQSZACIVSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000153137242 454763589 /nfs/dbraw/zinc/76/35/89/454763589.db2.gz ZOXUURKZMMBYNE-LLVKDONJSA-N 0 0 327.340 3.397 10 5 EGBERN CCC[C@@H](CCO)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176709904 454774050 /nfs/dbraw/zinc/77/40/50/454774050.db2.gz VPGIDZPLZQPWIR-XJKSGUPXSA-N 0 0 337.420 3.144 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cn3cc(Cl)ccc3n1)C2 ZINC000153250629 454774785 /nfs/dbraw/zinc/77/47/85/454774785.db2.gz KEMDTJAGHYLRCG-UHFFFAOYSA-N 0 0 342.786 3.454 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176766018 454780148 /nfs/dbraw/zinc/78/01/48/454780148.db2.gz MHISIMPCJDYDNL-OAHLLOKOSA-N 0 0 343.387 3.105 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153332844 454783591 /nfs/dbraw/zinc/78/35/91/454783591.db2.gz DBFWNPKDJRJGBN-QGZVFWFLSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc21 ZINC000153520048 454802074 /nfs/dbraw/zinc/80/20/74/454802074.db2.gz JAWMLSMMAFVMAZ-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN NC(=O)[C@H]1CCC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000125184849 454802778 /nfs/dbraw/zinc/80/27/78/454802778.db2.gz XMHDJKDJDKSCOM-YUMQZZPRSA-N 0 0 332.187 3.358 10 5 EGBERN COc1ccc([C@@H](CCO)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000176960846 454804177 /nfs/dbraw/zinc/80/41/77/454804177.db2.gz NUNUSMIDEHREAC-CQSZACIVSA-N 0 0 337.763 3.187 10 5 EGBERN CS(=O)(=O)c1cc(N2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000125390335 454818603 /nfs/dbraw/zinc/81/86/03/454818603.db2.gz AIGLJYLRBFHZGU-UHFFFAOYSA-N 0 0 338.429 3.159 10 5 EGBERN O=C(NCCOCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000163193620 454829636 /nfs/dbraw/zinc/82/96/36/454829636.db2.gz SPJUHTDPZQQPHA-UHFFFAOYSA-N 0 0 334.759 3.195 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177212917 454838323 /nfs/dbraw/zinc/83/83/23/454838323.db2.gz PMVQJIKSJSKYGS-CYBMUJFWSA-N 0 0 348.790 3.058 10 5 EGBERN CO[C@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000177257969 454844033 /nfs/dbraw/zinc/84/40/33/454844033.db2.gz RBVXEEMPZCIVJT-SSDOTTSWSA-N 0 0 347.249 3.283 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000184915352 455471613 /nfs/dbraw/zinc/47/16/13/455471613.db2.gz XSFOVCOSHYCRAL-SHRNQRGKSA-N 0 0 332.400 3.272 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2ccsc2)C1 ZINC000126234005 454879509 /nfs/dbraw/zinc/87/95/09/454879509.db2.gz LOFQYSPGMSYJGZ-INIZCTEOSA-N 0 0 334.397 3.109 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000150789238 454893082 /nfs/dbraw/zinc/89/30/82/454893082.db2.gz ACYKXXMEKMFPFF-OLZOCXBDSA-N 0 0 338.429 3.466 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126551742 454901892 /nfs/dbraw/zinc/90/18/92/454901892.db2.gz VRTXUUBPRYLCLD-UHFFFAOYSA-N 0 0 345.374 3.161 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2ccc(C)cc2)c1 ZINC000127112151 454938885 /nfs/dbraw/zinc/93/88/85/454938885.db2.gz HDUCKHASRJUTJX-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151189426 454950334 /nfs/dbraw/zinc/95/03/34/454950334.db2.gz NQXKJBKTBRAXOT-WBMJQRKESA-N 0 0 338.791 3.015 10 5 EGBERN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000151383545 454978176 /nfs/dbraw/zinc/97/81/76/454978176.db2.gz LNKKVHGEWNULJQ-UHFFFAOYSA-N 0 0 340.788 3.291 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccnc1 ZINC000115227479 455005903 /nfs/dbraw/zinc/00/59/03/455005903.db2.gz OSDRFMPAYXTOIX-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCCO1 ZINC000127985572 455015639 /nfs/dbraw/zinc/01/56/39/455015639.db2.gz GQOPROIDVBODJE-HNNXBMFYSA-N 0 0 333.413 3.329 10 5 EGBERN CC(C)(C)c1csc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000127999625 455016933 /nfs/dbraw/zinc/01/69/33/455016933.db2.gz XZAFKVAICCEVQN-UHFFFAOYSA-N 0 0 340.426 3.323 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000128311605 455045196 /nfs/dbraw/zinc/04/51/96/455045196.db2.gz TUAHPPHDJKESRV-UHFFFAOYSA-N 0 0 344.342 3.331 10 5 EGBERN CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000128550852 455066477 /nfs/dbraw/zinc/06/64/77/455066477.db2.gz SAGZHIZBTGGHPW-MRXNPFEDSA-N 0 0 343.358 3.207 10 5 EGBERN CN(C)c1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000156047171 455076463 /nfs/dbraw/zinc/07/64/63/455076463.db2.gz ZSKFOWXUUCFBFM-UHFFFAOYSA-N 0 0 338.367 3.072 10 5 EGBERN Cn1nccc1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172177517 455132796 /nfs/dbraw/zinc/13/27/96/455132796.db2.gz POMWBUUWLODCJH-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180291483 455155449 /nfs/dbraw/zinc/15/54/49/455155449.db2.gz JIWGEAZVEBQIGB-QMTHXVAHSA-N 0 0 347.396 3.249 10 5 EGBERN COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1[N+](=O)[O-] ZINC000180321647 455157624 /nfs/dbraw/zinc/15/76/24/455157624.db2.gz CJMQLIQYOSZWDL-VQHVLOKHSA-N 0 0 343.364 3.462 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000172962393 455214405 /nfs/dbraw/zinc/21/44/05/455214405.db2.gz AXIDGAIJTLONMA-ZDUSSCGKSA-N 0 0 328.368 3.238 10 5 EGBERN Cn1c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C1CCC1 ZINC000181526710 455350173 /nfs/dbraw/zinc/35/01/73/455350173.db2.gz UGRZZLAIXCGJEB-UHFFFAOYSA-N 0 0 341.415 3.155 10 5 EGBERN CCO[C@@H](C)c1noc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557835 455355334 /nfs/dbraw/zinc/35/53/34/455355334.db2.gz OHGUSFKFSAVIQE-SMDDNHRTSA-N 0 0 334.376 3.316 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(F)ccc12 ZINC000181906121 455397853 /nfs/dbraw/zinc/39/78/53/455397853.db2.gz NEBBOUQSZBKXGM-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)c1 ZINC000181965893 455405818 /nfs/dbraw/zinc/40/58/18/455405818.db2.gz PSXSNACCRDSUPJ-AWEZNQCLSA-N 0 0 339.395 3.424 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000175190056 455424620 /nfs/dbraw/zinc/42/46/20/455424620.db2.gz BZQMGIUIBRMUPO-KBPBESRZSA-N 0 0 331.416 3.456 10 5 EGBERN Cc1cnc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000184754752 455442561 /nfs/dbraw/zinc/44/25/61/455442561.db2.gz LQVZIMQAHLEJBQ-SSDOTTSWSA-N 0 0 325.415 3.263 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc21 ZINC000160587192 455477325 /nfs/dbraw/zinc/47/73/25/455477325.db2.gz JGUUZMMCCYACCW-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN CC[C@@H](NC(=O)NCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000175666740 455480007 /nfs/dbraw/zinc/48/00/07/455480007.db2.gz CUYFFJGCNJGTSF-CYBMUJFWSA-N 0 0 334.401 3.310 10 5 EGBERN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000182285191 455480609 /nfs/dbraw/zinc/48/06/09/455480609.db2.gz DTDIOBAMOSVRKK-JTQLQIEISA-N 0 0 341.323 3.316 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2ncc[nH]2)CC1 ZINC000266948359 455481664 /nfs/dbraw/zinc/48/16/64/455481664.db2.gz FTZWUBBHFQGFQH-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C)CCCC3)n1 ZINC000191648012 455507696 /nfs/dbraw/zinc/50/76/96/455507696.db2.gz VSXIASWNIVOUHX-UHFFFAOYSA-N 0 0 334.401 3.312 10 5 EGBERN CCc1nc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000185216167 455522591 /nfs/dbraw/zinc/52/25/91/455522591.db2.gz UMPUKCKJMYDLRZ-SECBINFHSA-N 0 0 337.376 3.173 10 5 EGBERN COC(=O)CC1(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000191830429 455524119 /nfs/dbraw/zinc/52/41/19/455524119.db2.gz BMPMHNNNHSBXDJ-UHFFFAOYSA-N 0 0 348.399 3.067 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000176035621 455531365 /nfs/dbraw/zinc/53/13/65/455531365.db2.gz YXRPCOMEPOQNOU-IUODEOHRSA-N 0 0 341.367 3.397 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SCCC3OCCCO3)sc2c1 ZINC000267901241 455562431 /nfs/dbraw/zinc/56/24/31/455562431.db2.gz YNDUARQPSHTINJ-UHFFFAOYSA-N 0 0 326.399 3.450 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)n1 ZINC000271333135 455600647 /nfs/dbraw/zinc/60/06/47/455600647.db2.gz BGXZTEKEGRCNSW-UHFFFAOYSA-N 0 0 342.277 3.076 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185708543 455602087 /nfs/dbraw/zinc/60/20/87/455602087.db2.gz XFRGIDGNEOQYEV-LLVKDONJSA-N 0 0 329.784 3.119 10 5 EGBERN Cc1noc(C[C@H](NCc2csc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277658061 455625983 /nfs/dbraw/zinc/62/59/83/455625983.db2.gz NODHYGQBMJJYFX-AWEZNQCLSA-N 0 0 344.396 3.421 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2ccnc2)cc1OC(F)F ZINC000271436009 455635863 /nfs/dbraw/zinc/63/58/63/455635863.db2.gz WWNQQMYDALLZNI-GFCCVEGCSA-N 0 0 338.314 3.062 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCCC4)nc3)nc2c1 ZINC000277983609 455727028 /nfs/dbraw/zinc/72/70/28/455727028.db2.gz YNQUFMZFZARMRY-UHFFFAOYSA-N 0 0 338.371 3.078 10 5 EGBERN CC(C)NC(=O)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000271738485 455741332 /nfs/dbraw/zinc/74/13/32/455741332.db2.gz POAGAHRIZVGCRH-UHFFFAOYSA-N 0 0 348.790 3.394 10 5 EGBERN CCOc1cc(N2C[C@@H](CO)[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000249437648 455755878 /nfs/dbraw/zinc/75/58/78/455755878.db2.gz IWCBNNKCAXMWLZ-DZGCQCFKSA-N 0 0 348.424 3.267 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000278163619 455774765 /nfs/dbraw/zinc/77/47/65/455774765.db2.gz DFMFIPMOERNUDW-VIFPVBQESA-N 0 0 327.344 3.331 10 5 EGBERN CC[C@@H](NC(=O)NCC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271951000 455803333 /nfs/dbraw/zinc/80/33/33/455803333.db2.gz XVSUDEVVRVLPAI-HZPDHXFCSA-N 0 0 349.431 3.142 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](O)CC1 ZINC000295014996 455835365 /nfs/dbraw/zinc/83/53/65/455835365.db2.gz VXQCNOJQQAQLFK-ZDUSSCGKSA-N 0 0 336.391 3.081 10 5 EGBERN COc1cc(N[C@H]2CCOC3(CCSCC3)C2)ccc1[N+](=O)[O-] ZINC000269352691 455841691 /nfs/dbraw/zinc/84/16/91/455841691.db2.gz SJRNCLASNPEJFL-ZDUSSCGKSA-N 0 0 338.429 3.460 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000296257774 455892488 /nfs/dbraw/zinc/89/24/88/455892488.db2.gz YEGRTXIWRVEGIW-SNVBAGLBSA-N 0 0 334.319 3.237 10 5 EGBERN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000272271120 455896964 /nfs/dbraw/zinc/89/69/64/455896964.db2.gz KKQIDOVCAZCVQG-OAHLLOKOSA-N 0 0 332.356 3.312 10 5 EGBERN C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286077031 455972483 /nfs/dbraw/zinc/97/24/83/455972483.db2.gz AAWGRUSEHWAQKF-CHWSQXEVSA-N 0 0 345.399 3.232 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000198655064 456010277 /nfs/dbraw/zinc/01/02/77/456010277.db2.gz KBCZLQGUVKLPEZ-CYBMUJFWSA-N 0 0 346.339 3.182 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000296761081 456030858 /nfs/dbraw/zinc/03/08/58/456030858.db2.gz CQGZOZKPIIGSHV-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN CCn1cc([C@H](C)NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296802733 456041716 /nfs/dbraw/zinc/04/17/16/456041716.db2.gz CFDKDRBPKDFUKW-SRXBQZRASA-N 0 0 328.372 3.092 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@](C)(F)C1 ZINC000296865370 456055766 /nfs/dbraw/zinc/05/57/66/456055766.db2.gz VMZUOFRBUVPQFP-OAHLLOKOSA-N 0 0 325.340 3.349 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000188411668 456057993 /nfs/dbraw/zinc/05/79/93/456057993.db2.gz PVKIJLIJCYQHIC-LBPRGKRZSA-N 0 0 344.371 3.498 10 5 EGBERN COCCc1ccc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000601099622 460709683 /nfs/dbraw/zinc/70/96/83/460709683.db2.gz BRTKPMJECDKPFJ-UHFFFAOYSA-N 0 0 345.277 3.328 10 5 EGBERN Cc1ccc(NCc2ccc(CN3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000301459517 456122178 /nfs/dbraw/zinc/12/21/78/456122178.db2.gz YNTJTMBBOXBPSF-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271111213 456128618 /nfs/dbraw/zinc/12/86/18/456128618.db2.gz IWPJNLHUYOUXDF-MEDUHNTESA-N 0 0 345.399 3.400 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188829421 456146066 /nfs/dbraw/zinc/14/60/66/456146066.db2.gz MVFBSGGJEDWRKD-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000289905825 456176822 /nfs/dbraw/zinc/17/68/22/456176822.db2.gz USJOGXMQYSOJAJ-OLZOCXBDSA-N 0 0 349.387 3.011 10 5 EGBERN Cc1cc(C)cc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000301671503 456181405 /nfs/dbraw/zinc/18/14/05/456181405.db2.gz FQHUISWQEUYUBK-UHFFFAOYSA-N 0 0 341.367 3.197 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000301674402 456181600 /nfs/dbraw/zinc/18/16/00/456181600.db2.gz RRGSMDUXGGKQHA-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCOc1ccc(F)cc1F ZINC000301728835 456199427 /nfs/dbraw/zinc/19/94/27/456199427.db2.gz CEHGCEKMPHFQJZ-UHFFFAOYSA-N 0 0 329.690 3.412 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301759987 456208146 /nfs/dbraw/zinc/20/81/46/456208146.db2.gz ZQXLYYFHVVULJR-MEBBXXQBSA-N 0 0 333.775 3.472 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000281361182 456214035 /nfs/dbraw/zinc/21/40/35/456214035.db2.gz STRDRIDFEDFSMX-QGZVFWFLSA-N 0 0 342.399 3.015 10 5 EGBERN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301857061 456233475 /nfs/dbraw/zinc/23/34/75/456233475.db2.gz ZLUWTGOIQQFXBR-WBVHZDCISA-N 0 0 342.355 3.360 10 5 EGBERN COc1cc(N2CCO[C@@H](c3cccc(O)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000301935079 456254877 /nfs/dbraw/zinc/25/48/77/456254877.db2.gz RHWGHMNOBYFVQQ-QGZVFWFLSA-N 0 0 348.330 3.026 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297577405 456257157 /nfs/dbraw/zinc/25/71/57/456257157.db2.gz LSJUHGYBVZPBLP-APHBMKBZSA-N 0 0 349.431 3.094 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000302019630 456270057 /nfs/dbraw/zinc/27/00/57/456270057.db2.gz DOMAQAWIXSKNBY-OAHLLOKOSA-N 0 0 327.384 3.168 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000601135308 460725477 /nfs/dbraw/zinc/72/54/77/460725477.db2.gz UAOAWWLCPUJBKX-LLVKDONJSA-N 0 0 337.738 3.440 10 5 EGBERN C[C@@H](Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302108152 456289477 /nfs/dbraw/zinc/28/94/77/456289477.db2.gz AWEKFWBIGYDIRO-VIFPVBQESA-N 0 0 337.177 3.190 10 5 EGBERN COc1cc(CN2C[C@@H](C)C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000352784082 456302379 /nfs/dbraw/zinc/30/23/79/456302379.db2.gz MUDWXHOUMBIVKH-GFCCVEGCSA-N 0 0 341.367 3.198 10 5 EGBERN C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000302170343 456306336 /nfs/dbraw/zinc/30/63/36/456306336.db2.gz LOTKCUXBTNFJMC-MRXNPFEDSA-N 0 0 336.775 3.060 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000342909059 456306515 /nfs/dbraw/zinc/30/65/15/456306515.db2.gz BTVJCXPRVXWOMI-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC(O)(c3ccccc3)CC2)c1 ZINC000302224054 456322202 /nfs/dbraw/zinc/32/22/02/456322202.db2.gz ULHOHKAIQVADPN-UHFFFAOYSA-N 0 0 346.358 3.231 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC(C)(C)OC1(C)C ZINC000601140571 460727598 /nfs/dbraw/zinc/72/75/98/460727598.db2.gz YSPMPCGELDPFGM-SSDOTTSWSA-N 0 0 336.314 3.105 10 5 EGBERN CC1(C)CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000302350492 456336426 /nfs/dbraw/zinc/33/64/26/456336426.db2.gz BOAQANPDUGHWRS-VIFPVBQESA-N 0 0 330.182 3.122 10 5 EGBERN Cc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000337555600 456377815 /nfs/dbraw/zinc/37/78/15/456377815.db2.gz FTDQHNSUVMBXNZ-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1ccccc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000337555599 456378101 /nfs/dbraw/zinc/37/81/01/456378101.db2.gz FTDQHNSUVMBXNZ-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](c2ccnn2C)C(C)C)c1 ZINC000302762867 456394270 /nfs/dbraw/zinc/39/42/70/456394270.db2.gz KSXWDRNHHMMBFY-LBPRGKRZSA-N 0 0 336.367 3.328 10 5 EGBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000282087094 456409827 /nfs/dbraw/zinc/40/98/27/456409827.db2.gz DJEFXXMXOKBPML-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN CCC[C@@H](NC(=O)[C@@H](C)n1cc(C)c([N+](=O)[O-])n1)c1ccccc1 ZINC000282154653 456428573 /nfs/dbraw/zinc/42/85/73/456428573.db2.gz CEYUPSRMVLNSKO-UKRRQHHQSA-N 0 0 330.388 3.318 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000340388833 456433683 /nfs/dbraw/zinc/43/36/83/456433683.db2.gz FEBKRYDNJNKFQB-GOSISDBHSA-N 0 0 340.383 3.059 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1ccc(Cl)cc1)CC2 ZINC000352997951 456437117 /nfs/dbraw/zinc/43/71/17/456437117.db2.gz PMDDPJIFNLBPCN-UHFFFAOYSA-N 0 0 333.775 3.080 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccoc1C(F)(F)F ZINC000353094043 456485880 /nfs/dbraw/zinc/48/58/80/456485880.db2.gz MTMVXDOETUHRDX-UHFFFAOYSA-N 0 0 344.245 3.145 10 5 EGBERN CCNc1ccc(C(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000343165178 456446968 /nfs/dbraw/zinc/44/69/68/456446968.db2.gz MWMZPQHRIPYAAU-UHFFFAOYSA-N 0 0 334.763 3.005 10 5 EGBERN C[C@@H]1CC[C@@H](c2ccccc2)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291059965 456513526 /nfs/dbraw/zinc/51/35/26/456513526.db2.gz FNKRMKBOQFZPAP-DOMZBBRYSA-N 0 0 340.383 3.066 10 5 EGBERN CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000298795780 456542794 /nfs/dbraw/zinc/54/27/94/456542794.db2.gz HATWBPIAZAXKJG-UHFFFAOYSA-N 0 0 348.428 3.136 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000348225752 456547691 /nfs/dbraw/zinc/54/76/91/456547691.db2.gz BGRJHSNYMXZFRZ-WDEREUQCSA-N 0 0 337.376 3.312 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348230285 456552348 /nfs/dbraw/zinc/55/23/48/456552348.db2.gz NJDNSVDWRMXCCM-CWSCBRNRSA-N 0 0 345.321 3.195 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000337800719 456556252 /nfs/dbraw/zinc/55/62/52/456556252.db2.gz IAJJWZFQVGNWQA-IBGZPJMESA-N 0 0 342.395 3.134 10 5 EGBERN COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1Cl ZINC000340641325 456595320 /nfs/dbraw/zinc/59/53/20/456595320.db2.gz IEFUZXQMEGUXJV-UHFFFAOYSA-N 0 0 346.730 3.293 10 5 EGBERN CC(C)n1ncnc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000348346567 456640319 /nfs/dbraw/zinc/64/03/19/456640319.db2.gz JTKZBETZMGJZGB-UHFFFAOYSA-N 0 0 345.406 3.490 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCOc1ccc(C)cc1 ZINC000277026898 456658110 /nfs/dbraw/zinc/65/81/10/456658110.db2.gz FOEUMQJDMFWIHQ-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343495020 456659665 /nfs/dbraw/zinc/65/96/65/456659665.db2.gz SIUVDIPKACWTSP-UHFFFAOYSA-N 0 0 346.343 3.362 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000338105975 456662003 /nfs/dbraw/zinc/66/20/03/456662003.db2.gz GIVNVPIXBFPEHS-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)COc2ccccc2)c([N+](=O)[O-])c1 ZINC000348417013 456676278 /nfs/dbraw/zinc/67/62/78/456676278.db2.gz CFHGLSHBVVAAKD-GFCCVEGCSA-N 0 0 330.340 3.257 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000338210765 456708102 /nfs/dbraw/zinc/70/81/02/456708102.db2.gz XTUVDQPFCQLHLX-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc3n2CCCC3)c(F)c1 ZINC000299577369 456733009 /nfs/dbraw/zinc/73/30/09/456733009.db2.gz IGMINHYSZWTEMS-HNNXBMFYSA-N 0 0 345.378 3.393 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCC2(CC2)CC1 ZINC000277294103 456764782 /nfs/dbraw/zinc/76/47/82/456764782.db2.gz BDFONAIMTVULBM-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN CCN(C[C@@H]1CCCO1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348579192 456776107 /nfs/dbraw/zinc/77/61/07/456776107.db2.gz VTJCZTWKIWDKAM-JTQLQIEISA-N 0 0 346.305 3.255 10 5 EGBERN COC(=O)C=Cc1ccc(Nc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000301068549 456788581 /nfs/dbraw/zinc/78/85/81/456788581.db2.gz JXATTYLODQHQGJ-XVNBXDOJSA-N 0 0 338.323 3.401 10 5 EGBERN CCc1cc(N[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301179094 456815195 /nfs/dbraw/zinc/81/51/95/456815195.db2.gz NUIBKIQPXOLBOR-AWEZNQCLSA-N 0 0 328.372 3.205 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277463628 456835013 /nfs/dbraw/zinc/83/50/13/456835013.db2.gz PJERNOGGHLHFQY-GFCCVEGCSA-N 0 0 330.306 3.328 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000292031050 456835217 /nfs/dbraw/zinc/83/52/17/456835217.db2.gz UHUWGZNJFAXFHD-LBPRGKRZSA-N 0 0 343.774 3.444 10 5 EGBERN CCc1noc(C)c1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344947671 456873714 /nfs/dbraw/zinc/87/37/14/456873714.db2.gz GCLMFZBDWUMRKT-UHFFFAOYSA-N 0 0 333.344 3.170 10 5 EGBERN COc1cc(NCC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000344983425 456886993 /nfs/dbraw/zinc/88/69/93/456886993.db2.gz JMRPYQFAOTXRCS-NSHDSACASA-N 0 0 326.246 3.122 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345065939 456914189 /nfs/dbraw/zinc/91/41/89/456914189.db2.gz UVSKFDICAVCMSV-ZDUSSCGKSA-N 0 0 348.424 3.092 10 5 EGBERN COCCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345096348 456925197 /nfs/dbraw/zinc/92/51/97/456925197.db2.gz JOXPDOAGXXALLU-UHFFFAOYSA-N 0 0 334.397 3.254 10 5 EGBERN CCOc1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344258 456947599 /nfs/dbraw/zinc/94/75/99/456947599.db2.gz RLYRBPJVZXIIEY-BXUZGUMPSA-N 0 0 336.413 3.439 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000339156815 456969005 /nfs/dbraw/zinc/96/90/05/456969005.db2.gz TYCXLPXFSNLMOD-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CC1(C)CC[C@H]2C[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])c3cccc1c32 ZINC000345638016 456985490 /nfs/dbraw/zinc/98/54/90/456985490.db2.gz XMHJGHOKIZDVFU-GWCFXTLKSA-N 0 0 340.383 3.348 10 5 EGBERN C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(F)c1 ZINC000349704345 457021458 /nfs/dbraw/zinc/02/14/58/457021458.db2.gz VHASCYOJSHDVPF-GFCCVEGCSA-N 0 0 343.358 3.207 10 5 EGBERN O=C(NCCc1cccs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358895534 457028742 /nfs/dbraw/zinc/02/87/42/457028742.db2.gz CDDXCBRVQJYCRH-UHFFFAOYSA-N 0 0 342.323 3.230 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(CC(F)(F)F)CC2)n1 ZINC000359088601 457052512 /nfs/dbraw/zinc/05/25/12/457052512.db2.gz ZYAXCFUYBVZFSK-UHFFFAOYSA-N 0 0 332.326 3.045 10 5 EGBERN COc1c(C(=O)N(CCc2nccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000356563977 457057823 /nfs/dbraw/zinc/05/78/23/457057823.db2.gz IGCDTYILCXGVPO-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000346639261 457085398 /nfs/dbraw/zinc/08/53/98/457085398.db2.gz DCCSKTATUITIBP-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359543232 457093806 /nfs/dbraw/zinc/09/38/06/457093806.db2.gz CREHGZIQROWNOM-IAQYHMDHSA-N 0 0 331.347 3.283 10 5 EGBERN CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2cccnc21 ZINC000349902920 457100936 /nfs/dbraw/zinc/10/09/36/457100936.db2.gz LBFDTVGONPPIBD-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000354173463 457108870 /nfs/dbraw/zinc/10/88/70/457108870.db2.gz IYBCIBFAKZFCQM-GFCCVEGCSA-N 0 0 343.383 3.153 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCCc2occc21 ZINC000342110269 457113284 /nfs/dbraw/zinc/11/32/84/457113284.db2.gz YGXWUVQBHKSIIT-CQSZACIVSA-N 0 0 336.294 3.202 10 5 EGBERN C[C@H](F)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000356710372 457127772 /nfs/dbraw/zinc/12/77/72/457127772.db2.gz OKFLYNMMIMMBFI-VIFPVBQESA-N 0 0 348.324 3.437 10 5 EGBERN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356745611 457146448 /nfs/dbraw/zinc/14/64/48/457146448.db2.gz ZSVGXKBVSVCKPQ-UHFFFAOYSA-N 0 0 330.388 3.413 10 5 EGBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1ccncc1 ZINC000342349828 457250398 /nfs/dbraw/zinc/25/03/98/457250398.db2.gz OAZHNMZFVZNMDT-ZDUSSCGKSA-N 0 0 330.344 3.043 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)cc2F)c1 ZINC000360114852 457262721 /nfs/dbraw/zinc/26/27/21/457262721.db2.gz ZHOYRHASSBBJFL-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CCOC(=O)C1CCC(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351376093 457269999 /nfs/dbraw/zinc/26/99/99/457269999.db2.gz JZTVSZWIYFIBGH-UHFFFAOYSA-N 0 0 349.343 3.150 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000360732691 457329623 /nfs/dbraw/zinc/32/96/23/457329623.db2.gz SOOMDJRXZDZVJD-UHFFFAOYSA-N 0 0 335.363 3.134 10 5 EGBERN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])n2C)n1)c1cccc(Cl)c1 ZINC000357122919 457335095 /nfs/dbraw/zinc/33/50/95/457335095.db2.gz AYVIXDVHBTXHLP-ZDUSSCGKSA-N 0 0 348.746 3.373 10 5 EGBERN CCSCC[C@H](C)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342508562 457341963 /nfs/dbraw/zinc/34/19/63/457341963.db2.gz DMGMDNVMXLRWKX-JTQLQIEISA-N 0 0 346.399 3.406 10 5 EGBERN Cc1sc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000342551496 457362888 /nfs/dbraw/zinc/36/28/88/457362888.db2.gz IRWKEKGSTAGOGC-QMTHXVAHSA-N 0 0 344.458 3.166 10 5 EGBERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000363569825 457368906 /nfs/dbraw/zinc/36/89/06/457368906.db2.gz VYBUUZOQYPKUNI-INIZCTEOSA-N 0 0 342.351 3.165 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(CSCc2ccccn2)n1 ZINC000355689301 457400742 /nfs/dbraw/zinc/40/07/42/457400742.db2.gz LAPMDWDDPNXMNM-UHFFFAOYSA-N 0 0 342.380 3.397 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(N3CCCO3)c([N+](=O)[O-])c2)cc1 ZINC000347409657 457409625 /nfs/dbraw/zinc/40/96/25/457409625.db2.gz CZCYYNMLEAWLEQ-UHFFFAOYSA-N 0 0 327.340 3.297 10 5 EGBERN Cc1nc(-c2cccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)c2)n[nH]1 ZINC000357301198 457430676 /nfs/dbraw/zinc/43/06/76/457430676.db2.gz QSCGMALUPYONEE-UHFFFAOYSA-N 0 0 348.322 3.405 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000355941951 457431382 /nfs/dbraw/zinc/43/13/82/457431382.db2.gz NSALOOQUPWAPAP-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN CCn1cnnc1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555234 457463358 /nfs/dbraw/zinc/46/33/58/457463358.db2.gz KRIJKRWZXQAMTC-SFHVURJKSA-N 0 0 337.383 3.085 10 5 EGBERN Cn1cc([C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C(C)(C)C)cn1 ZINC000425227049 457465768 /nfs/dbraw/zinc/46/57/68/457465768.db2.gz ABDYIMJWCBBZAA-QGZVFWFLSA-N 0 0 339.399 3.498 10 5 EGBERN COc1c(O)cccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352695361 457537651 /nfs/dbraw/zinc/53/76/51/457537651.db2.gz YWNHLXBPAMJPHO-UHFFFAOYSA-N 0 0 328.368 3.474 10 5 EGBERN CCOc1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000357460171 457542854 /nfs/dbraw/zinc/54/28/54/457542854.db2.gz AIRWOGSRYVMVTI-GHMZBOCLSA-N 0 0 333.344 3.326 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)(C2CC2)CC1 ZINC000352734506 457567292 /nfs/dbraw/zinc/56/72/92/457567292.db2.gz LFKXAWMHRRQKIV-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN COc1cccc(F)c1[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361119081 457593167 /nfs/dbraw/zinc/59/31/67/457593167.db2.gz ZTVSFKWRFCXUSP-SECBINFHSA-N 0 0 333.319 3.015 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCc1ccc2cc[nH]c2n1 ZINC000357565215 457598336 /nfs/dbraw/zinc/59/83/36/457598336.db2.gz KMHFSFVSICRZCY-UHFFFAOYSA-N 0 0 348.160 3.241 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356444555 457629395 /nfs/dbraw/zinc/62/93/95/457629395.db2.gz NXPONRMSJHKEAU-GFCCVEGCSA-N 0 0 346.364 3.174 10 5 EGBERN CCNC(=O)N(C)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000357633692 457633442 /nfs/dbraw/zinc/63/34/42/457633442.db2.gz LQCIMVKQOBOIAT-UHFFFAOYSA-N 0 0 348.384 3.074 10 5 EGBERN COc1cc(NC[C@@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000357634428 457634584 /nfs/dbraw/zinc/63/45/84/457634584.db2.gz YIXWPDNWNGIQEB-SCLBCKFNSA-N 0 0 346.358 3.321 10 5 EGBERN CC1=C(c2ccco2)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000374511544 457644936 /nfs/dbraw/zinc/64/49/36/457644936.db2.gz CBKNSLSOGDPGAO-UHFFFAOYSA-N 0 0 341.367 3.306 10 5 EGBERN O=C(c1ccnc(OC(F)F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000410621933 457651711 /nfs/dbraw/zinc/65/17/11/457651711.db2.gz NAKCKOGSENGFCF-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN COc1cc(C(=O)N[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000410626400 457652272 /nfs/dbraw/zinc/65/22/72/457652272.db2.gz QJRDCPYLAJXWNU-MRXNPFEDSA-N 0 0 345.330 3.019 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000357791937 457691590 /nfs/dbraw/zinc/69/15/90/457691590.db2.gz CKXRPFNPKZZPDC-SNVBAGLBSA-N 0 0 331.376 3.136 10 5 EGBERN COc1cc(C(=O)Nc2cn(C)nc2C(C)C)cc([N+](=O)[O-])c1C ZINC000361345763 457701366 /nfs/dbraw/zinc/70/13/66/457701366.db2.gz KFINKNSRSVBZGN-UHFFFAOYSA-N 0 0 332.360 3.021 10 5 EGBERN Cc1ccncc1CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000357830590 457704585 /nfs/dbraw/zinc/70/45/85/457704585.db2.gz DOZDWVRGGRQIOZ-UHFFFAOYSA-N 0 0 342.399 3.149 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000361369092 457708802 /nfs/dbraw/zinc/70/88/02/457708802.db2.gz HUTXEQYTGOSSMN-JTQLQIEISA-N 0 0 334.351 3.333 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000374815750 457711964 /nfs/dbraw/zinc/71/19/64/457711964.db2.gz DJZVBLAUJLUHKE-AWEZNQCLSA-N 0 0 345.359 3.435 10 5 EGBERN CCc1ccc([C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000357904324 457729117 /nfs/dbraw/zinc/72/91/17/457729117.db2.gz CFDTXJOFFSKQIQ-HNNXBMFYSA-N 0 0 330.388 3.018 10 5 EGBERN COc1c(C(=O)Nc2ncnc3oc(C)c(C)c32)cccc1[N+](=O)[O-] ZINC000361500925 457756823 /nfs/dbraw/zinc/75/68/23/457756823.db2.gz KPSZOVAEKWDDHM-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN CCc1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000443467073 457767471 /nfs/dbraw/zinc/76/74/71/457767471.db2.gz KYAAMKKGPYEUFP-UHFFFAOYSA-N 0 0 343.358 3.298 10 5 EGBERN CSCc1cccnc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000361546069 457787286 /nfs/dbraw/zinc/78/72/86/457787286.db2.gz QOBKQINHMQLKIA-LLVKDONJSA-N 0 0 343.408 3.444 10 5 EGBERN Cc1ccc2c(c1F)N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000411094043 457799382 /nfs/dbraw/zinc/79/93/82/457799382.db2.gz FGVSQNIEIKXKNI-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443757161 457810591 /nfs/dbraw/zinc/81/05/91/457810591.db2.gz AXSFSSJVKLAAEN-ZBFHGGJFSA-N 0 0 340.445 3.373 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411181350 457822286 /nfs/dbraw/zinc/82/22/86/457822286.db2.gz FSEPZWSBSURJFF-FUHWJXTLSA-N 0 0 343.358 3.008 10 5 EGBERN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366563489 457854528 /nfs/dbraw/zinc/85/45/28/457854528.db2.gz GPAZXVHCGZEFBP-GXTWGEPZSA-N 0 0 329.331 3.195 10 5 EGBERN Cc1cccc(C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426652750 457871778 /nfs/dbraw/zinc/87/17/78/457871778.db2.gz WXIPSHJMRGIREH-KRWDZBQOSA-N 0 0 342.395 3.245 10 5 EGBERN COC1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000426857766 457917054 /nfs/dbraw/zinc/91/70/54/457917054.db2.gz JEBVJGCOUMJBAI-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000433991358 457927432 /nfs/dbraw/zinc/92/74/32/457927432.db2.gz VPYLVCVAEFGJNT-SNVBAGLBSA-N 0 0 346.305 3.408 10 5 EGBERN Cc1ccc(N2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000371452671 457938335 /nfs/dbraw/zinc/93/83/35/457938335.db2.gz QPBBYDKGFPLLMN-UHFFFAOYSA-N 0 0 345.424 3.317 10 5 EGBERN Cc1cc(C)cc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000444690729 457940836 /nfs/dbraw/zinc/94/08/36/457940836.db2.gz AUIRMUFZKXPEKQ-UHFFFAOYSA-N 0 0 327.384 3.282 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000427267355 457969203 /nfs/dbraw/zinc/96/92/03/457969203.db2.gz OOMCPIRJYAUVOR-LLVKDONJSA-N 0 0 334.351 3.174 10 5 EGBERN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccn1 ZINC000444828296 457986393 /nfs/dbraw/zinc/98/63/93/457986393.db2.gz MCQWQLCWZDHGLJ-UHFFFAOYSA-N 0 0 329.359 3.059 10 5 EGBERN C[C@H](CC(F)(F)F)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000362006108 458001579 /nfs/dbraw/zinc/00/15/79/458001579.db2.gz PJCTVZUWLJOMRJ-ZCFIWIBFSA-N 0 0 342.220 3.267 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005310 458005019 /nfs/dbraw/zinc/00/50/19/458005019.db2.gz LBLCRPRFHLIGIB-UHFFFAOYSA-N 0 0 331.375 3.282 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000371823297 458087015 /nfs/dbraw/zinc/08/70/15/458087015.db2.gz QJPKOKZRGAIBSW-ZRDIBKRKSA-N 0 0 349.350 3.422 10 5 EGBERN CSCCCCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412120398 458098533 /nfs/dbraw/zinc/09/85/33/458098533.db2.gz GDVCPFLUTQKSJY-UHFFFAOYSA-N 0 0 326.418 3.255 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412142146 458106487 /nfs/dbraw/zinc/10/64/87/458106487.db2.gz GXOZJDZPYWIHAI-LZLYRXPVSA-N 0 0 334.416 3.002 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000375959162 458139542 /nfs/dbraw/zinc/13/95/42/458139542.db2.gz FTRJMTBWSPCEBD-UHFFFAOYSA-N 0 0 326.352 3.436 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(C)c2ccc(F)cc12 ZINC000435414120 458140521 /nfs/dbraw/zinc/14/05/21/458140521.db2.gz XUEQOANABOPJJG-UHFFFAOYSA-N 0 0 341.342 3.498 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000412293344 458156727 /nfs/dbraw/zinc/15/67/27/458156727.db2.gz XULOYFCHOGEVGM-CQSZACIVSA-N 0 0 344.371 3.082 10 5 EGBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446310499 458175556 /nfs/dbraw/zinc/17/55/56/458175556.db2.gz HHOUEPUBMRRSRT-BMIGLBTASA-N 0 0 328.796 3.084 10 5 EGBERN Cn1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c2cc(F)ccc21 ZINC000435708500 458188282 /nfs/dbraw/zinc/18/82/82/458188282.db2.gz ZTXPINFQKQTVIP-UHFFFAOYSA-N 0 0 339.326 3.429 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(Oc2cnccn2)CC1 ZINC000376092234 458192150 /nfs/dbraw/zinc/19/21/50/458192150.db2.gz FCVVIWGOROYXIZ-UHFFFAOYSA-N 0 0 348.790 3.082 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000369368960 458192249 /nfs/dbraw/zinc/19/22/49/458192249.db2.gz DGXZYSNIKGJYMW-GFCCVEGCSA-N 0 0 332.791 3.418 10 5 EGBERN O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccccn2)CC1 ZINC000372216319 458236597 /nfs/dbraw/zinc/23/65/97/458236597.db2.gz HUFRVYZTIMXEMR-UHFFFAOYSA-N 0 0 327.384 3.248 10 5 EGBERN O=c1cc(C2CC2)nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000436257734 458277854 /nfs/dbraw/zinc/27/78/54/458277854.db2.gz FYOFPDFOJNVJMF-UHFFFAOYSA-N 0 0 343.368 3.136 10 5 EGBERN Cn1cc([C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000447371863 458288053 /nfs/dbraw/zinc/28/80/53/458288053.db2.gz CBHTVTLLZKDICM-LBPRGKRZSA-N 0 0 348.712 3.375 10 5 EGBERN Cc1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)c2)o1 ZINC000376414809 458294809 /nfs/dbraw/zinc/29/48/09/458294809.db2.gz MFEIRAXCRSQXOA-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN CCO[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000447696921 458331397 /nfs/dbraw/zinc/33/13/97/458331397.db2.gz VDFZRAGGJNFYHT-MRXNPFEDSA-N 0 0 326.356 3.083 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1Cl ZINC000372919418 458349477 /nfs/dbraw/zinc/34/94/77/458349477.db2.gz CKIMRUXZMHBJTA-OAHLLOKOSA-N 0 0 343.774 3.246 10 5 EGBERN CCOC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459504887 458394467 /nfs/dbraw/zinc/39/44/67/458394467.db2.gz HXXQWGVBELXMRO-CYBMUJFWSA-N 0 0 337.376 3.026 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000373199355 458427672 /nfs/dbraw/zinc/42/76/72/458427672.db2.gz ZQHGUPMZBOPTBN-OAHLLOKOSA-N 0 0 339.307 3.466 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000373202943 458429049 /nfs/dbraw/zinc/42/90/49/458429049.db2.gz NCDUSFSIAUUOIW-HNAYVOBHSA-N 0 0 342.395 3.471 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1cn3cc(Cl)ccc3n1)CCN2 ZINC000430512613 458455998 /nfs/dbraw/zinc/45/59/98/458455998.db2.gz UKERVXOVWFGJBE-UHFFFAOYSA-N 0 0 343.774 3.476 10 5 EGBERN CCc1nn(C)c(NC[C@H]2CC[C@H](c3ccccc3)O2)c1[N+](=O)[O-] ZINC000377180176 458483819 /nfs/dbraw/zinc/48/38/19/458483819.db2.gz RNEYWESSBBQRNB-UKRRQHHQSA-N 0 0 330.388 3.223 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000460628354 458528271 /nfs/dbraw/zinc/52/82/71/458528271.db2.gz IQGMLJTTXISZCR-GOEBONIOSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438142385 458541354 /nfs/dbraw/zinc/54/13/54/458541354.db2.gz NCDALGCCFBSQMC-RLFDGXBXSA-N 0 0 344.342 3.417 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000462436662 458620182 /nfs/dbraw/zinc/62/01/82/458620182.db2.gz OEUVBFYMZOBXCG-AWEZNQCLSA-N 0 0 342.399 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470933329 458666039 /nfs/dbraw/zinc/66/60/39/458666039.db2.gz RGMABJPRDAWWFY-PWSUYJOCSA-N 0 0 345.321 3.114 10 5 EGBERN Cc1c(CC(=O)N2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000439189720 458668575 /nfs/dbraw/zinc/66/85/75/458668575.db2.gz OYPPMKVBFZOFBI-UHFFFAOYSA-N 0 0 346.333 3.309 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463463879 458702541 /nfs/dbraw/zinc/70/25/41/458702541.db2.gz YCAUZBHEUAFSBJ-AWEZNQCLSA-N 0 0 341.411 3.471 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000456600873 458727065 /nfs/dbraw/zinc/72/70/65/458727065.db2.gz WXYPMKFCLGCHJG-CVEARBPZSA-N 0 0 348.399 3.023 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000494680900 458728199 /nfs/dbraw/zinc/72/81/99/458728199.db2.gz JHONLZBDYXSHNE-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000456605855 458728977 /nfs/dbraw/zinc/72/89/77/458728977.db2.gz ZGYBMCZGMRDIHZ-GFCCVEGCSA-N 0 0 331.397 3.357 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H](F)C1 ZINC000424798092 458734425 /nfs/dbraw/zinc/73/44/25/458734425.db2.gz XNDROZIUXDWNFE-WCQYABFASA-N 0 0 328.771 3.435 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)cc1OC(C)C ZINC000432448196 458741198 /nfs/dbraw/zinc/74/11/98/458741198.db2.gz HZKMYVBTYILIMZ-UHFFFAOYSA-N 0 0 331.328 3.043 10 5 EGBERN COc1nn(C)cc1N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000474075444 458859425 /nfs/dbraw/zinc/85/94/25/458859425.db2.gz UDCAFVHPNKWVGK-GXTWGEPZSA-N 0 0 330.388 3.160 10 5 EGBERN COC(=O)c1cc(NCC2CCC(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000474789980 458901264 /nfs/dbraw/zinc/90/12/64/458901264.db2.gz HMUTUSZJAOOXMJ-UHFFFAOYSA-N 0 0 336.388 3.307 10 5 EGBERN Cc1nc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc12 ZINC000531410739 458914079 /nfs/dbraw/zinc/91/40/79/458914079.db2.gz ZAGMPYBGYAFGSU-UHFFFAOYSA-N 0 0 346.350 3.153 10 5 EGBERN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])cn1 ZINC000532145981 459036237 /nfs/dbraw/zinc/03/62/37/459036237.db2.gz AFYNOAYQHYESCV-UHFFFAOYSA-N 0 0 349.306 3.150 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000567065036 459042290 /nfs/dbraw/zinc/04/22/90/459042290.db2.gz NFOOJJQRLVEKSI-UHFFFAOYSA-N 0 0 343.412 3.419 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532217695 459048578 /nfs/dbraw/zinc/04/85/78/459048578.db2.gz PZIUNQLHUCWYNB-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000520414036 459057094 /nfs/dbraw/zinc/05/70/94/459057094.db2.gz FVXOCCJOQHJOLZ-MGXDSONQSA-N 0 0 348.447 3.129 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CCC[C@H]5C[C@H]54)no3)c2c1 ZINC000594534782 459081825 /nfs/dbraw/zinc/08/18/25/459081825.db2.gz BWPZLVKLMMCGAF-JMJZKYOTSA-N 0 0 325.328 3.425 10 5 EGBERN COC(=O)C(C)(C)[C@@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000594571527 459095132 /nfs/dbraw/zinc/09/51/32/459095132.db2.gz LOWGQJHYGSJIAS-GFCCVEGCSA-N 0 0 336.388 3.019 10 5 EGBERN CO[C@@H](COc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000594886750 459166547 /nfs/dbraw/zinc/16/65/47/459166547.db2.gz AHKYALWHWHNLNN-RNCFNFMXSA-N 0 0 335.278 3.044 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000480056605 459180580 /nfs/dbraw/zinc/18/05/80/459180580.db2.gz GHYUQHKQIFROLA-OAHLLOKOSA-N 0 0 349.431 3.251 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2c1 ZINC000590712688 459191793 /nfs/dbraw/zinc/19/17/93/459191793.db2.gz CXRDHLYBHIMFAF-XKQJLSEDSA-N 0 0 342.399 3.058 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000590715073 459192339 /nfs/dbraw/zinc/19/23/39/459192339.db2.gz QACGBEURJOIFSY-YSVLISHTSA-N 0 0 327.384 3.273 10 5 EGBERN CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000558695982 459199208 /nfs/dbraw/zinc/19/92/08/459199208.db2.gz JYMNIGRLNYCGAU-UHFFFAOYSA-N 0 0 343.305 3.323 10 5 EGBERN COc1cc(CNCC(F)(F)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000595000547 459209972 /nfs/dbraw/zinc/20/99/72/459209972.db2.gz LFKSSQZTFZPSBQ-UHFFFAOYSA-N 0 0 332.347 3.383 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000481626787 459266179 /nfs/dbraw/zinc/26/61/79/459266179.db2.gz PKQPFWQFXPXGEF-UHFFFAOYSA-N 0 0 329.400 3.100 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000595364963 459284536 /nfs/dbraw/zinc/28/45/36/459284536.db2.gz KZJBCPLLWCAUBT-GFCCVEGCSA-N 0 0 344.458 3.166 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000595394090 459291159 /nfs/dbraw/zinc/29/11/59/459291159.db2.gz VVSZJNPSGVUQHI-HNNXBMFYSA-N 0 0 344.342 3.401 10 5 EGBERN Cn1ncc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000591072196 459305099 /nfs/dbraw/zinc/30/50/99/459305099.db2.gz DWAWHQURTMTCGA-WDEREUQCSA-N 0 0 336.298 3.008 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000582145434 459315051 /nfs/dbraw/zinc/31/50/51/459315051.db2.gz HJTZAVQLTQLKDO-OUAUKWLOSA-N 0 0 326.343 3.356 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000591149820 459323496 /nfs/dbraw/zinc/32/34/96/459323496.db2.gz HRKCWHVMSFAHGH-UHFFFAOYSA-N 0 0 329.200 3.397 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000591153037 459324450 /nfs/dbraw/zinc/32/44/50/459324450.db2.gz NTMMXCRVKKENKN-QMMMGPOBSA-N 0 0 341.236 3.217 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000523752184 459328145 /nfs/dbraw/zinc/32/81/45/459328145.db2.gz LPERMJDESOHXTI-NEPJUHHUSA-N 0 0 330.388 3.417 10 5 EGBERN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000568783211 459345461 /nfs/dbraw/zinc/34/54/61/459345461.db2.gz PRLWZTWHDIGKIG-RDJZCZTQSA-N 0 0 332.400 3.450 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000595616169 459370282 /nfs/dbraw/zinc/37/02/82/459370282.db2.gz POVISUCAGRLAOL-ZDUSSCGKSA-N 0 0 343.383 3.394 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000582548148 459384491 /nfs/dbraw/zinc/38/44/91/459384491.db2.gz SHIWFHQFGFNGHL-HUUCEWRRSA-N 0 0 332.400 3.436 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](O)CC12CCC2 ZINC000591464211 459387118 /nfs/dbraw/zinc/38/71/18/459387118.db2.gz NLPLKRCRJFTWNH-LLVKDONJSA-N 0 0 341.205 3.241 10 5 EGBERN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000595685849 459396036 /nfs/dbraw/zinc/39/60/36/459396036.db2.gz IHERWGYLFNSTGO-KRWDZBQOSA-N 0 0 345.374 3.320 10 5 EGBERN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000595685850 459396173 /nfs/dbraw/zinc/39/61/73/459396173.db2.gz IHERWGYLFNSTGO-QGZVFWFLSA-N 0 0 345.374 3.320 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000525041106 459411443 /nfs/dbraw/zinc/41/14/43/459411443.db2.gz FCOYTYZWPMSNSD-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1c(CN2CCO[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534627 459419139 /nfs/dbraw/zinc/41/91/39/459419139.db2.gz CPEOOZKJNFGPBA-GOSISDBHSA-N 0 0 342.395 3.183 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000569300818 459427719 /nfs/dbraw/zinc/42/77/19/459427719.db2.gz RKGZQDHRMHAEDG-VXGBXAGGSA-N 0 0 342.351 3.304 10 5 EGBERN CC(C)(F)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595757523 459428475 /nfs/dbraw/zinc/42/84/75/459428475.db2.gz FCUUIPIONQHIRJ-UHFFFAOYSA-N 0 0 336.367 3.056 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2Cc3ccccc3[C@H]2C)cc1C ZINC000541188551 459433885 /nfs/dbraw/zinc/43/38/85/459433885.db2.gz CCAMKCLRWZXUBF-CYBMUJFWSA-N 0 0 346.408 3.477 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@]1(C)CC1(F)F ZINC000595777868 459435722 /nfs/dbraw/zinc/43/57/22/459435722.db2.gz LDYLEMUXYJBUSA-OAHLLOKOSA-N 0 0 341.358 3.214 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2cc3c[nH]nc3cc2C)c1[N+](=O)[O-] ZINC000561341285 459444863 /nfs/dbraw/zinc/44/48/63/459444863.db2.gz GNAQRMOWFMIMQR-UHFFFAOYSA-N 0 0 341.327 3.013 10 5 EGBERN C[C@@H]1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569405196 459444875 /nfs/dbraw/zinc/44/48/75/459444875.db2.gz WMMUOTWHQSXHDK-CHWSQXEVSA-N 0 0 344.415 3.354 10 5 EGBERN C[C@H]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569405199 459444968 /nfs/dbraw/zinc/44/49/68/459444968.db2.gz WMMUOTWHQSXHDK-STQMWFEESA-N 0 0 344.415 3.354 10 5 EGBERN CCOc1cc(CN2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000595827146 459454801 /nfs/dbraw/zinc/45/48/01/459454801.db2.gz AYPFSVQGJPATLV-UHFFFAOYSA-N 0 0 331.372 3.361 10 5 EGBERN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889968 459476566 /nfs/dbraw/zinc/47/65/66/459476566.db2.gz JZJYXDSUAGYFQI-NEPJUHHUSA-N 0 0 348.321 3.015 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](CC(F)(F)F)O1 ZINC000595890855 459477062 /nfs/dbraw/zinc/47/70/62/459477062.db2.gz NFWLVJBVMFDMBA-BXKDBHETSA-N 0 0 336.285 3.276 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595921625 459487243 /nfs/dbraw/zinc/48/72/43/459487243.db2.gz XNSBPMAPLOOXJY-MEDUHNTESA-N 0 0 344.358 3.238 10 5 EGBERN CCOc1cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919684 459487576 /nfs/dbraw/zinc/48/75/76/459487576.db2.gz RCRPPTTWAUUBGF-ZBEGNZNMSA-N 0 0 344.358 3.238 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000591925379 459487766 /nfs/dbraw/zinc/48/77/66/459487766.db2.gz NAGSIXKECQDKSM-LSDHHAIUSA-N 0 0 331.416 3.122 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596000927 459492820 /nfs/dbraw/zinc/49/28/20/459492820.db2.gz KAFRLCAJQSVIKF-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@@H]2CCCC[C@@H]21 ZINC000583231414 459505183 /nfs/dbraw/zinc/50/51/83/459505183.db2.gz LZNBJBRHHGPTTJ-DAXOMENPSA-N 0 0 341.415 3.405 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000591991004 459507502 /nfs/dbraw/zinc/50/75/02/459507502.db2.gz OPDXAFCRGAKFDA-HONMWMINSA-N 0 0 330.381 3.063 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C2CCCCC2)C1=O ZINC000562065386 459509241 /nfs/dbraw/zinc/50/92/41/459509241.db2.gz FUKDTHVKAUHKCV-IAQYHMDHSA-N 0 0 331.372 3.157 10 5 EGBERN COc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000596079059 459511119 /nfs/dbraw/zinc/51/11/19/459511119.db2.gz XMCBAZOOVCDJPV-GOEBONIOSA-N 0 0 334.759 3.327 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccoc1C(F)(F)F ZINC000562116657 459512632 /nfs/dbraw/zinc/51/26/32/459512632.db2.gz AIJZXNIXSFBLAE-UHFFFAOYSA-N 0 0 344.245 3.015 10 5 EGBERN Cc1ncc2c(n1)CC[C@H](Nc1ccnc3cc([N+](=O)[O-])ccc31)C2 ZINC000596102563 459521301 /nfs/dbraw/zinc/52/13/01/459521301.db2.gz JIMSGVJDKFKFAE-ZDUSSCGKSA-N 0 0 335.367 3.211 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCS1 ZINC000596145047 459535611 /nfs/dbraw/zinc/53/56/11/459535611.db2.gz PQGOHHWRFWLGRG-VIFPVBQESA-N 0 0 344.820 3.367 10 5 EGBERN COC(=O)c1c(Cl)c(NCC(C)(C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596146389 459536044 /nfs/dbraw/zinc/53/60/44/459536044.db2.gz MABAQECHROTECM-VIFPVBQESA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596173331 459548466 /nfs/dbraw/zinc/54/84/66/459548466.db2.gz SUMUOYAXLZAUHD-VIFPVBQESA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596204227 459559678 /nfs/dbraw/zinc/55/96/78/459559678.db2.gz AWENSABTKFGUMN-SECBINFHSA-N 0 0 344.820 3.224 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000596209469 459560584 /nfs/dbraw/zinc/56/05/84/459560584.db2.gz FIHHTTOWQWJSOS-SECBINFHSA-N 0 0 344.820 3.367 10 5 EGBERN NC(=O)c1cc(N2CCC(F)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596215820 459562565 /nfs/dbraw/zinc/56/25/65/459562565.db2.gz ZARGGMQQEGVIGK-UHFFFAOYSA-N 0 0 343.358 3.159 10 5 EGBERN CN1CCOc2ccc(Nc3ncnc4cccc([N+](=O)[O-])c43)cc21 ZINC000542505955 459562849 /nfs/dbraw/zinc/56/28/49/459562849.db2.gz FKEBAWSIIUFCAY-UHFFFAOYSA-N 0 0 337.339 3.110 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000596223190 459565697 /nfs/dbraw/zinc/56/56/97/459565697.db2.gz NWOSYEWHXLEDJG-HNNXBMFYSA-N 0 0 342.779 3.040 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000596249792 459575119 /nfs/dbraw/zinc/57/51/19/459575119.db2.gz UAEJAJOJEXJONZ-SNVBAGLBSA-N 0 0 328.752 3.014 10 5 EGBERN COc1cc(N2CC[C@H](O)CC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596258858 459577158 /nfs/dbraw/zinc/57/71/58/459577158.db2.gz NQUFEBBUPBZLND-JTQLQIEISA-N 0 0 328.796 3.244 10 5 EGBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCC(F)(F)C1 ZINC000596279170 459582564 /nfs/dbraw/zinc/58/25/64/459582564.db2.gz WNFWFPMZNHDKLM-LBPRGKRZSA-N 0 0 337.326 3.291 10 5 EGBERN COc1cc(N2CCC[C@@H](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596279089 459583021 /nfs/dbraw/zinc/58/30/21/459583021.db2.gz PFEMHNLFGQPVRP-LLVKDONJSA-N 0 0 328.796 3.246 10 5 EGBERN CCc1cc(CCCn2ccc3cc([N+](=O)[O-])ccc3c2=O)on1 ZINC000596293672 459587001 /nfs/dbraw/zinc/58/70/01/459587001.db2.gz WENMMKDVKVWIFI-UHFFFAOYSA-N 0 0 327.340 3.093 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000542972541 459615342 /nfs/dbraw/zinc/61/53/42/459615342.db2.gz SRDCLEFTNMJKRS-IUODEOHRSA-N 0 0 336.388 3.387 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000596440799 459636411 /nfs/dbraw/zinc/63/64/11/459636411.db2.gz DIMRVBIHQSDLGB-SECBINFHSA-N 0 0 339.277 3.140 10 5 EGBERN CC(C)[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1F ZINC000596440417 459636704 /nfs/dbraw/zinc/63/67/04/459636704.db2.gz KHULFOVHXBWGSA-INIZCTEOSA-N 0 0 329.335 3.008 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000592587633 459637762 /nfs/dbraw/zinc/63/77/62/459637762.db2.gz ZGWMXIZLAOQAIT-UHFFFAOYSA-N 0 0 326.324 3.040 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596452531 459642075 /nfs/dbraw/zinc/64/20/75/459642075.db2.gz GFNOXHUIWAODGP-RRQGHBQHSA-N 0 0 349.431 3.238 10 5 EGBERN CC[C@@H](NC(=O)c1ccnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000592601579 459642036 /nfs/dbraw/zinc/64/20/36/459642036.db2.gz BBTAOWRMAPDMED-OAHLLOKOSA-N 0 0 330.388 3.328 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C1CC1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596455259 459642676 /nfs/dbraw/zinc/64/26/76/459642676.db2.gz RCRHYINCWGNZBV-HZPDHXFCSA-N 0 0 349.431 3.142 10 5 EGBERN Cn1ncc(C2CC2)c1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596473211 459649239 /nfs/dbraw/zinc/64/92/39/459649239.db2.gz PEAWMZJJTKLASV-UHFFFAOYSA-N 0 0 327.388 3.092 10 5 EGBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1(F)F ZINC000596477659 459650531 /nfs/dbraw/zinc/65/05/31/459650531.db2.gz NTSYUEIUFLIBOE-AWEZNQCLSA-N 0 0 345.321 3.028 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000596476422 459650703 /nfs/dbraw/zinc/65/07/03/459650703.db2.gz IJYQXQWIRACXBW-GXTWGEPZSA-N 0 0 336.388 3.070 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000596480047 459651325 /nfs/dbraw/zinc/65/13/25/459651325.db2.gz YXSIKVOIMFERIB-UWVGGRQHSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)n1 ZINC000596486638 459653058 /nfs/dbraw/zinc/65/30/58/459653058.db2.gz BNZKLBVJWRRPRT-CABCVRRESA-N 0 0 329.404 3.163 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000596502765 459659166 /nfs/dbraw/zinc/65/91/66/459659166.db2.gz IRWAIDLPFPGXQH-PBHICJAKSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC000596513634 459663027 /nfs/dbraw/zinc/66/30/27/459663027.db2.gz AOJWUIUWTHWWGF-IAGOWNOFSA-N 0 0 349.406 3.098 10 5 EGBERN CC(C)[C@@H](O)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000596517349 459663962 /nfs/dbraw/zinc/66/39/62/459663962.db2.gz NUMZVIOSCKBECQ-QWHCGFSZSA-N 0 0 346.412 3.474 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000592696963 459669552 /nfs/dbraw/zinc/66/95/52/459669552.db2.gz INDFHRJEBMFYPI-DRPJVOAASA-N 0 0 332.400 3.161 10 5 EGBERN CC(C)(C)Oc1cc(N2CCc3nccnc3C2)ccc1[N+](=O)[O-] ZINC000596537066 459669821 /nfs/dbraw/zinc/66/98/21/459669821.db2.gz AHRJOGODIZKLGY-UHFFFAOYSA-N 0 0 328.372 3.125 10 5 EGBERN CCOC(=O)C12CC(C1)CN2c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596538168 459670321 /nfs/dbraw/zinc/67/03/21/459670321.db2.gz AZPSDXMTSHTKFZ-UHFFFAOYSA-N 0 0 344.289 3.146 10 5 EGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](CC(F)(F)F)O1 ZINC000596555595 459675443 /nfs/dbraw/zinc/67/54/43/459675443.db2.gz RDYDJTWFZFCDSK-CBAPKCEASA-N 0 0 339.701 3.189 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000592737946 459680915 /nfs/dbraw/zinc/68/09/15/459680915.db2.gz YQULHVXUZZARLN-AWEZNQCLSA-N 0 0 348.399 3.407 10 5 EGBERN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572059 459681105 /nfs/dbraw/zinc/68/11/05/459681105.db2.gz KFQPPCZMJGRRML-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@]1(C(F)F)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596570970 459681571 /nfs/dbraw/zinc/68/15/71/459681571.db2.gz BOOYZZPFDXGFSH-ZDUSSCGKSA-N 0 0 338.257 3.057 10 5 EGBERN COc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000596596950 459691575 /nfs/dbraw/zinc/69/15/75/459691575.db2.gz GYBLKVLQWPXFHL-UHFFFAOYSA-N 0 0 348.378 3.050 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3COC[C@@H]3c3ccccc3)n2)o1 ZINC000596600791 459693526 /nfs/dbraw/zinc/69/35/26/459693526.db2.gz JVPHUACHRYXWOZ-NEPJUHHUSA-N 0 0 327.296 3.135 10 5 EGBERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]2C ZINC000543789238 459700203 /nfs/dbraw/zinc/70/02/03/459700203.db2.gz XYOUMQXXWPSEPG-NWDGAFQWSA-N 0 0 341.367 3.146 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(OCC(C)(C)O)cc2)n1 ZINC000543789846 459700432 /nfs/dbraw/zinc/70/04/32/459700432.db2.gz GYTHGXYQRMNKCC-UHFFFAOYSA-N 0 0 331.372 3.500 10 5 EGBERN Cc1ccc(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000596636189 459706921 /nfs/dbraw/zinc/70/69/21/459706921.db2.gz KXCLSBYQHLRXBZ-LLVKDONJSA-N 0 0 347.293 3.088 10 5 EGBERN O=C([C@H]1CCCC2(CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596652056 459714840 /nfs/dbraw/zinc/71/48/40/459714840.db2.gz XLHFARLEFJDFMB-HNNXBMFYSA-N 0 0 343.427 3.214 10 5 EGBERN C[C@@H]1CC2(CN1C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CCOCC2 ZINC000592895681 459715029 /nfs/dbraw/zinc/71/50/29/459715029.db2.gz VPKCBTQPJOWQNV-GFCCVEGCSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592901545 459716935 /nfs/dbraw/zinc/71/69/35/459716935.db2.gz LVJASTDYZPJZOW-MRXNPFEDSA-N 0 0 338.367 3.160 10 5 EGBERN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cccc(Cl)c2O1 ZINC000544319461 459747599 /nfs/dbraw/zinc/74/75/99/459747599.db2.gz ZCUYVNLCSDHXDH-NSHDSACASA-N 0 0 347.758 3.461 10 5 EGBERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596825001 459772320 /nfs/dbraw/zinc/77/23/20/459772320.db2.gz UAVKXLBSGZNYKE-BMIGLBTASA-N 0 0 343.330 3.180 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593117593 459778124 /nfs/dbraw/zinc/77/81/24/459778124.db2.gz OFMXMQSIBFNDEM-CQSZACIVSA-N 0 0 348.403 3.023 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC000544832794 459786557 /nfs/dbraw/zinc/78/65/57/459786557.db2.gz YLHRNBYOLFIGIW-GFCCVEGCSA-N 0 0 325.368 3.360 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000596912981 459794198 /nfs/dbraw/zinc/79/41/98/459794198.db2.gz QIOPAFGYCIPQJI-OAHLLOKOSA-N 0 0 343.330 3.045 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584757663 459796578 /nfs/dbraw/zinc/79/65/78/459796578.db2.gz QLLLGDDADJPJDQ-UONOGXRCSA-N 0 0 342.395 3.454 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596931548 459798946 /nfs/dbraw/zinc/79/89/46/459798946.db2.gz QVOUHLFQUDEZSV-CQSZACIVSA-N 0 0 347.415 3.084 10 5 EGBERN CC(C)n1cnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000593232313 459815567 /nfs/dbraw/zinc/81/55/67/459815567.db2.gz NNLVCEPHWNOESP-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN Cc1cccc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c1[N+](=O)[O-] ZINC000593237154 459815956 /nfs/dbraw/zinc/81/59/56/459815956.db2.gz KEKQKWLFMDMIQN-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593236801 459816298 /nfs/dbraw/zinc/81/62/98/459816298.db2.gz CGMOQGGEQSEHLH-UHFFFAOYSA-N 0 0 346.280 3.030 10 5 EGBERN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc([N+](=O)[O-])cn1 ZINC000584874837 459816700 /nfs/dbraw/zinc/81/67/00/459816700.db2.gz ZMGHVNNLNLMNTD-UHFFFAOYSA-N 0 0 343.305 3.375 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593245546 459818563 /nfs/dbraw/zinc/81/85/63/459818563.db2.gz YPSIEXCSTDXCDY-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN CCOCC(C)(C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092127 459835721 /nfs/dbraw/zinc/83/57/21/459835721.db2.gz HMARFRFASKZDRX-UHFFFAOYSA-N 0 0 344.799 3.015 10 5 EGBERN Cc1ccc(S(=O)(=O)N(C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000585740290 459838758 /nfs/dbraw/zinc/83/87/58/459838758.db2.gz VNEYRXFVSGKWOK-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H](C)C2)c1 ZINC000593327538 459845578 /nfs/dbraw/zinc/84/55/78/459845578.db2.gz POSZLGXEKJHROF-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN C[C@@H](C(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593352178 459859135 /nfs/dbraw/zinc/85/91/35/459859135.db2.gz CXNGIBHBJCGADL-YMTOWFKASA-N 0 0 328.290 3.095 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCc2ccc(F)cc21 ZINC000593355192 459860357 /nfs/dbraw/zinc/86/03/57/459860357.db2.gz WTCBUGLQRZTSLI-ZDUSSCGKSA-N 0 0 342.370 3.465 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000598328062 459867592 /nfs/dbraw/zinc/86/75/92/459867592.db2.gz IKZMGDGENRHURV-YCPHGPKFSA-N 0 0 343.427 3.313 10 5 EGBERN CSc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1C ZINC000593375670 459871337 /nfs/dbraw/zinc/87/13/37/459871337.db2.gz PZEBYLJGCBATFY-UHFFFAOYSA-N 0 0 334.401 3.195 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598349055 459875151 /nfs/dbraw/zinc/87/51/51/459875151.db2.gz KQJXOWZYWQUONP-DLBZAZTESA-N 0 0 346.358 3.222 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598354630 459876758 /nfs/dbraw/zinc/87/67/58/459876758.db2.gz YAFVRYOGASZOFP-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212617 459878810 /nfs/dbraw/zinc/87/88/10/459878810.db2.gz VXFQSFRKIACOAJ-RDTXWAMCSA-N 0 0 328.368 3.323 10 5 EGBERN C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212614 459879646 /nfs/dbraw/zinc/87/96/46/459879646.db2.gz VXFQSFRKIACOAJ-KBXCAEBGSA-N 0 0 328.368 3.323 10 5 EGBERN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)c1ccccc1 ZINC000586834664 459883538 /nfs/dbraw/zinc/88/35/38/459883538.db2.gz RJPJCSGADFHQLF-UHFFFAOYSA-N 0 0 338.367 3.478 10 5 EGBERN CO[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000598393399 459886735 /nfs/dbraw/zinc/88/67/35/459886735.db2.gz HUNQWGYREPYZFN-AWEZNQCLSA-N 0 0 340.807 3.492 10 5 EGBERN CN(CCCCc1ccccc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587336864 459892577 /nfs/dbraw/zinc/89/25/77/459892577.db2.gz LJWAEXNCEHRNCF-UHFFFAOYSA-N 0 0 329.400 3.128 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCc1cn2c(n1)CCCC2 ZINC000593457208 459894213 /nfs/dbraw/zinc/89/42/13/459894213.db2.gz JBMJGFRUZFMMQO-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN CC(=O)NC1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461010 459895683 /nfs/dbraw/zinc/89/56/83/459895683.db2.gz FXEKIAJQSXXIEP-UHFFFAOYSA-N 0 0 328.372 3.002 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000608973884 459897361 /nfs/dbraw/zinc/89/73/61/459897361.db2.gz UOHCNCKKXAQTAQ-WCQYABFASA-N 0 0 334.173 3.142 10 5 EGBERN Cn1ncc2c1CC(C)(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597258780 459898574 /nfs/dbraw/zinc/89/85/74/459898574.db2.gz RQVCLQPFWLZYNP-VURMDHGXSA-N 0 0 340.427 3.426 10 5 EGBERN CO[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000598437781 459898993 /nfs/dbraw/zinc/89/89/93/459898993.db2.gz PBRQRTFRNGHSHM-KRWDZBQOSA-N 0 0 345.399 3.401 10 5 EGBERN CC(C)Oc1cccc(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588006978 459901595 /nfs/dbraw/zinc/90/15/95/459901595.db2.gz UCGHTFKXSMZICV-UHFFFAOYSA-N 0 0 345.399 3.093 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598456541 459902350 /nfs/dbraw/zinc/90/23/50/459902350.db2.gz JXUPDPXZIWXYGG-SECBINFHSA-N 0 0 346.305 3.159 10 5 EGBERN COc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)nc1 ZINC000593482335 459902636 /nfs/dbraw/zinc/90/26/36/459902636.db2.gz VJXCYNJVIKZGMH-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000598452761 459902653 /nfs/dbraw/zinc/90/26/53/459902653.db2.gz BWQYQCFMISZQPM-CABCVRRESA-N 0 0 334.416 3.095 10 5 EGBERN COc1ccc(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)nc1 ZINC000593481408 459902816 /nfs/dbraw/zinc/90/28/16/459902816.db2.gz OMNAFFOMRWOCHH-UHFFFAOYSA-N 0 0 348.790 3.431 10 5 EGBERN Cc1c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC000598460097 459903336 /nfs/dbraw/zinc/90/33/36/459903336.db2.gz XYPUSQSRHKZRQL-HYVNUMGLSA-N 0 0 326.327 3.110 10 5 EGBERN C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000597282430 459903421 /nfs/dbraw/zinc/90/34/21/459903421.db2.gz OROVAYRVONQSSU-WMLDXEAASA-N 0 0 334.416 3.239 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598466112 459904161 /nfs/dbraw/zinc/90/41/61/459904161.db2.gz XQWZZSTVXKAZNB-QWHCGFSZSA-N 0 0 326.343 3.496 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598469488 459905486 /nfs/dbraw/zinc/90/54/86/459905486.db2.gz NMJLUENYVVKPMY-GFCCVEGCSA-N 0 0 343.358 3.118 10 5 EGBERN COC(=O)[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000593497213 459907012 /nfs/dbraw/zinc/90/70/12/459907012.db2.gz SRSXITCSHFKJPN-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000609134563 459908910 /nfs/dbraw/zinc/90/89/10/459908910.db2.gz YBMRGTGZAVMANO-ZDUSSCGKSA-N 0 0 344.820 3.120 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3cccc4cccnc43)no2)nc1 ZINC000546309682 459909097 /nfs/dbraw/zinc/90/90/97/459909097.db2.gz DZLJGXCTFQBNMY-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN CC[C@H](NC(=O)c1cccc([S@@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000613716067 459910765 /nfs/dbraw/zinc/91/07/65/459910765.db2.gz TUQLVSZLNQMENT-UPCLLVRISA-N 0 0 346.408 3.213 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@]4(CNc5ccccc54)C3)c2c1 ZINC000618166223 459914969 /nfs/dbraw/zinc/91/49/69/459914969.db2.gz DVEYPLICUNQBIU-LJQANCHMSA-N 0 0 347.378 3.112 10 5 EGBERN CCOc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])cc1OC ZINC000602399248 459916200 /nfs/dbraw/zinc/91/62/00/459916200.db2.gz DSAYWNNORUJZAS-SGTLLEGYSA-N 0 0 348.399 3.407 10 5 EGBERN CCc1ccc(CC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)nc1 ZINC000597349980 459924487 /nfs/dbraw/zinc/92/44/87/459924487.db2.gz RCQUDSVXIFAIIE-QGZVFWFLSA-N 0 0 327.384 3.362 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000597348069 459924641 /nfs/dbraw/zinc/92/46/41/459924641.db2.gz DITSOYKTWUOTJX-SNVBAGLBSA-N 0 0 346.339 3.082 10 5 EGBERN Cc1cccc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598509339 459926357 /nfs/dbraw/zinc/92/63/57/459926357.db2.gz SPVWZZBXRKUBBC-MNOVXSKESA-N 0 0 346.305 3.085 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000598578161 459948184 /nfs/dbraw/zinc/94/81/84/459948184.db2.gz QVALDKNRZCALMC-ZDUSSCGKSA-N 0 0 340.379 3.340 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588382405 459954573 /nfs/dbraw/zinc/95/45/73/459954573.db2.gz CQVJCOBPXWKFQN-GWCFXTLKSA-N 0 0 327.331 3.451 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc1 ZINC000593754902 459975750 /nfs/dbraw/zinc/97/57/50/459975750.db2.gz RVZCLKBJHWXXQQ-UHFFFAOYSA-N 0 0 347.396 3.080 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593758548 459976661 /nfs/dbraw/zinc/97/66/61/459976661.db2.gz WIWJGVCYTYYZNH-OAHLLOKOSA-N 0 0 349.341 3.109 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC1(F)F ZINC000598653417 459979419 /nfs/dbraw/zinc/97/94/19/459979419.db2.gz ZJRAUZJZMICJSG-CYBMUJFWSA-N 0 0 341.358 3.262 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588823460 459986654 /nfs/dbraw/zinc/98/66/54/459986654.db2.gz XIMZRTCWICHPFW-WFASDCNBSA-N 0 0 331.759 3.177 10 5 EGBERN C[C@H](CCC1CC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588890161 459996586 /nfs/dbraw/zinc/99/65/86/459996586.db2.gz RSUULUPMKQMUEY-GFCCVEGCSA-N 0 0 344.415 3.497 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588925315 460005507 /nfs/dbraw/zinc/00/55/07/460005507.db2.gz ABVYQVKQDHQDGB-XTZNXHDOSA-N 0 0 346.333 3.465 10 5 EGBERN C[C@]1(c2ccccc2)C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588934026 460007302 /nfs/dbraw/zinc/00/73/02/460007302.db2.gz IEAALKRDIHIWKE-SJLPKXTDSA-N 0 0 346.333 3.262 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1F ZINC000588937433 460008253 /nfs/dbraw/zinc/00/82/53/460008253.db2.gz VXIVKTBIRWLRIN-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000597615069 460009351 /nfs/dbraw/zinc/00/93/51/460009351.db2.gz AKTRMEZNQIVRNP-FFSVYQOJSA-N 0 0 343.358 3.152 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000597617516 460009478 /nfs/dbraw/zinc/00/94/78/460009478.db2.gz PHRJBENUKTXIDC-PVUWLOKVSA-N 0 0 325.368 3.013 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(C)(C)n2cccn2)cc1[N+](=O)[O-] ZINC000597632111 460013250 /nfs/dbraw/zinc/01/32/50/460013250.db2.gz PLGXWJNQTMXXAP-UHFFFAOYSA-N 0 0 330.388 3.463 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000597633403 460013968 /nfs/dbraw/zinc/01/39/68/460013968.db2.gz ZFQOTKHQNOEANY-UHFFFAOYSA-N 0 0 328.372 3.287 10 5 EGBERN CO[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000597640282 460015344 /nfs/dbraw/zinc/01/53/44/460015344.db2.gz XVVJIMRRNIUHEY-QGZVFWFLSA-N 0 0 334.416 3.191 10 5 EGBERN O=C1N[C@@H](C2CCCCCC2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000593954778 460026140 /nfs/dbraw/zinc/02/61/40/460026140.db2.gz OAXRHZNKSHVMDH-INIZCTEOSA-N 0 0 345.399 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccccn3)C2)c1 ZINC000597691881 460029496 /nfs/dbraw/zinc/02/94/96/460029496.db2.gz OQXYXUOTIHDOEA-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1(C(F)F)CCCC1 ZINC000589118565 460034003 /nfs/dbraw/zinc/03/40/03/460034003.db2.gz YNCYFEOVSKUBQX-UHFFFAOYSA-N 0 0 334.269 3.110 10 5 EGBERN CO[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000597722851 460038915 /nfs/dbraw/zinc/03/89/15/460038915.db2.gz GVEFMRNQWLVRIX-WBVHZDCISA-N 0 0 332.400 3.116 10 5 EGBERN COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC(F)(F)CC1 ZINC000598801967 460040285 /nfs/dbraw/zinc/04/02/85/460040285.db2.gz RZVAOAOLZMOSAO-UHFFFAOYSA-N 0 0 328.315 3.436 10 5 EGBERN COc1ccc(CC(=O)NC[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000609981973 460043875 /nfs/dbraw/zinc/04/38/75/460043875.db2.gz VSAAAYSQUHGKAC-AWEZNQCLSA-N 0 0 342.395 3.374 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCO1 ZINC000598825963 460054451 /nfs/dbraw/zinc/05/44/51/460054451.db2.gz AYVISUDSYJPHNJ-NHYWBVRUSA-N 0 0 329.356 3.287 10 5 EGBERN CCOc1cc(C(=O)NC(C)(C)C(C)(F)F)c([N+](=O)[O-])cc1OC ZINC000594063428 460081990 /nfs/dbraw/zinc/08/19/90/460081990.db2.gz UCGFLIHUMCKTJR-UHFFFAOYSA-N 0 0 346.330 3.166 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cncc(OC(C)C)n1 ZINC000594067097 460084417 /nfs/dbraw/zinc/08/44/17/460084417.db2.gz ZHVZDXIXMWRPAZ-UHFFFAOYSA-N 0 0 330.344 3.041 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594071356 460085589 /nfs/dbraw/zinc/08/55/89/460085589.db2.gz ZJAZJGOZTSHMLA-IRXDYDNUSA-N 0 0 332.400 3.289 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000594069803 460085958 /nfs/dbraw/zinc/08/59/58/460085958.db2.gz RFQCSFVNKSSMHY-IRXDYDNUSA-N 0 0 346.427 3.336 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597866708 460086790 /nfs/dbraw/zinc/08/67/90/460086790.db2.gz YWSQFZYZAXIXCL-GFCCVEGCSA-N 0 0 345.374 3.326 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000598895013 460088468 /nfs/dbraw/zinc/08/84/68/460088468.db2.gz BOHDORMNDXDNBB-ZDUSSCGKSA-N 0 0 327.331 3.242 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3nc(C(C)C)ncc3C2)c1 ZINC000598938975 460095315 /nfs/dbraw/zinc/09/53/15/460095315.db2.gz IMOCKENWFADQLY-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594094085 460097907 /nfs/dbraw/zinc/09/79/07/460097907.db2.gz GIHPHWCGXPBWNC-VXGBXAGGSA-N 0 0 347.293 3.216 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC000598949816 460098940 /nfs/dbraw/zinc/09/89/40/460098940.db2.gz DJTZGNAYOJIULK-LBPRGKRZSA-N 0 0 343.408 3.172 10 5 EGBERN COc1c(C)cccc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594108258 460104620 /nfs/dbraw/zinc/10/46/20/460104620.db2.gz ZHUBKHBONDMTBS-CYBMUJFWSA-N 0 0 328.368 3.332 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000597918311 460110673 /nfs/dbraw/zinc/11/06/73/460110673.db2.gz FKCHLAFINNCBJD-OAHLLOKOSA-N 0 0 334.416 3.455 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597917911 460110771 /nfs/dbraw/zinc/11/07/71/460110771.db2.gz CQTRPGIGEQPDLM-GFCCVEGCSA-N 0 0 326.780 3.183 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597918279 460111281 /nfs/dbraw/zinc/11/12/81/460111281.db2.gz FCXHUDMSIXNZEB-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN CCOc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(F)cc1OC ZINC000598976458 460112827 /nfs/dbraw/zinc/11/28/27/460112827.db2.gz FDJSJZAQZCRDOT-UHFFFAOYSA-N 0 0 348.374 3.474 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000594136540 460120705 /nfs/dbraw/zinc/12/07/05/460120705.db2.gz JLZLWHQMLSFHPQ-ZDUSSCGKSA-N 0 0 338.404 3.093 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597952045 460125231 /nfs/dbraw/zinc/12/52/31/460125231.db2.gz OLTFNOBSWFRKHL-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN CSc1cccc(C(=O)Nc2ccc3nccn3c2)c1[N+](=O)[O-] ZINC000614410797 460133106 /nfs/dbraw/zinc/13/31/06/460133106.db2.gz KQEMQDSEQBGMRG-UHFFFAOYSA-N 0 0 328.353 3.217 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594173606 460136437 /nfs/dbraw/zinc/13/64/37/460136437.db2.gz CJUDTERQHVIZGD-YVSFHVDLSA-N 0 0 332.400 3.162 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(C2CCC2)CC1 ZINC000597995494 460139623 /nfs/dbraw/zinc/13/96/23/460139623.db2.gz RWKUHAOMFVFQJM-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000598015631 460144783 /nfs/dbraw/zinc/14/47/83/460144783.db2.gz ZFVMSMMDAYQKOS-VIFPVBQESA-N 0 0 332.385 3.117 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cscn1 ZINC000598014436 460145037 /nfs/dbraw/zinc/14/50/37/460145037.db2.gz FZLJLZRKNWQUCX-SECBINFHSA-N 0 0 337.376 3.345 10 5 EGBERN Cc1c(CC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594202968 460148438 /nfs/dbraw/zinc/14/84/38/460148438.db2.gz IWTVWKCIHZRVBM-AWEZNQCLSA-N 0 0 346.427 3.396 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598038201 460150670 /nfs/dbraw/zinc/15/06/70/460150670.db2.gz AJBOJJYGASPLSY-CQSZACIVSA-N 0 0 343.339 3.046 10 5 EGBERN C[C@H](C(=O)NC[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594206213 460151103 /nfs/dbraw/zinc/15/11/03/460151103.db2.gz KKJMXRWSBDCBNC-XJKSGUPXSA-N 0 0 332.400 3.306 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000589864364 460152695 /nfs/dbraw/zinc/15/26/95/460152695.db2.gz XBGAYEMRBPDSMN-RNCFNFMXSA-N 0 0 341.289 3.299 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594213756 460154207 /nfs/dbraw/zinc/15/42/07/460154207.db2.gz ZTGVIRKUDMFOBT-JSGCOSHPSA-N 0 0 337.420 3.406 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1cc(C(F)(F)F)on1 ZINC000599082988 460155409 /nfs/dbraw/zinc/15/54/09/460155409.db2.gz GCHPRPCQYXUYOS-UHFFFAOYSA-N 0 0 331.250 3.360 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599083884 460155551 /nfs/dbraw/zinc/15/55/51/460155551.db2.gz NFJKNCVANNSPKB-HYVNUMGLSA-N 0 0 342.782 3.450 10 5 EGBERN C[C@H](C(=O)N1CC2(CCC2)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598055394 460156173 /nfs/dbraw/zinc/15/61/73/460156173.db2.gz SHSHDXJUXUWZAS-NEPJUHHUSA-N 0 0 336.363 3.007 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000594230378 460161826 /nfs/dbraw/zinc/16/18/26/460161826.db2.gz ILYFBTWCKKKULD-SNVBAGLBSA-N 0 0 325.315 3.015 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCC[C@H]3CCCOC3)n2)cc1 ZINC000599117823 460164563 /nfs/dbraw/zinc/16/45/63/460164563.db2.gz XNUZJYXWFQXTOI-GFCCVEGCSA-N 0 0 333.413 3.369 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CC2(CC2)c2ccc(Br)cc21 ZINC000599137601 460171317 /nfs/dbraw/zinc/17/13/17/460171317.db2.gz FWJLXBLMHVXXDO-UHFFFAOYSA-N 0 0 349.188 3.274 10 5 EGBERN COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000576591333 460174897 /nfs/dbraw/zinc/17/48/97/460174897.db2.gz JMPHGRAOXZOAMI-UHFFFAOYSA-N 0 0 328.368 3.485 10 5 EGBERN CC[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594281769 460180151 /nfs/dbraw/zinc/18/01/51/460180151.db2.gz YGKSHPOCWYHMIX-ZBFHGGJFSA-N 0 0 349.431 3.477 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnccc2SC)cc1[N+](=O)[O-] ZINC000610544044 460180504 /nfs/dbraw/zinc/18/05/04/460180504.db2.gz MIODAXHBOBKWGK-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN CC(C)Cc1ccccc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000599181522 460190656 /nfs/dbraw/zinc/19/06/56/460190656.db2.gz GEMNORSLBJNEDA-UHFFFAOYSA-N 0 0 327.344 3.244 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC3(CC3)CC2)c(F)c1N1CCOCC1 ZINC000599191926 460194625 /nfs/dbraw/zinc/19/46/25/460194625.db2.gz OIVTWBWTWZNOAG-UHFFFAOYSA-N 0 0 349.406 3.341 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000594367858 460197254 /nfs/dbraw/zinc/19/72/54/460197254.db2.gz CJFOAOIDEGILQJ-INIZCTEOSA-N 0 0 339.395 3.490 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000598206213 460203153 /nfs/dbraw/zinc/20/31/53/460203153.db2.gz DGHJOYTWNBJALJ-ZFWWWQNUSA-N 0 0 344.342 3.036 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598209229 460204984 /nfs/dbraw/zinc/20/49/84/460204984.db2.gz RPMHDLPFKJVEPK-INWMFGNUSA-N 0 0 327.384 3.102 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594399908 460206307 /nfs/dbraw/zinc/20/63/07/460206307.db2.gz DLFVFDMMSNKMRS-CTYIDZIISA-N 0 0 348.399 3.020 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000598213504 460206471 /nfs/dbraw/zinc/20/64/71/460206471.db2.gz BWZJIIZOFPAQBP-KOLCDFICSA-N 0 0 346.305 3.301 10 5 EGBERN COC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576759443 460208076 /nfs/dbraw/zinc/20/80/76/460208076.db2.gz HOKNBQNXAPFTBJ-GUYCJALGSA-N 0 0 328.368 3.202 10 5 EGBERN CC(C)(C(=O)NCC[C@]1(C)CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598217560 460208889 /nfs/dbraw/zinc/20/88/89/460208889.db2.gz BLGRADVPCGMYGR-OAHLLOKOSA-N 0 0 326.343 3.424 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000598228639 460214293 /nfs/dbraw/zinc/21/42/93/460214293.db2.gz YREUEHHGTZZXGZ-UHFFFAOYSA-N 0 0 342.351 3.319 10 5 EGBERN O=C(CCC(=O)N1CCC[C@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000598232212 460215147 /nfs/dbraw/zinc/21/51/47/460215147.db2.gz ZXTVKANNVHKAOE-CYBMUJFWSA-N 0 0 336.363 3.156 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000610706835 460220733 /nfs/dbraw/zinc/22/07/33/460220733.db2.gz MYTSDXUUJOOHGG-UHFFFAOYSA-N 0 0 338.410 3.143 10 5 EGBERN O=[N+]([O-])c1cccc(CN(Cc2cc(CO)ccc2F)C2CC2)c1 ZINC000599311942 460226799 /nfs/dbraw/zinc/22/67/99/460226799.db2.gz NORPODKPHNLCFG-UHFFFAOYSA-N 0 0 330.359 3.391 10 5 EGBERN O=[N+]([O-])c1sccc1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000614830319 460231928 /nfs/dbraw/zinc/23/19/28/460231928.db2.gz LIZKFSIVWNKVMA-UHFFFAOYSA-N 0 0 333.348 3.047 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ncccc2C1 ZINC000611007309 460277928 /nfs/dbraw/zinc/27/79/28/460277928.db2.gz DUIOWHCDUOGCHA-LBPRGKRZSA-N 0 0 343.408 3.055 10 5 EGBERN CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033498 460280626 /nfs/dbraw/zinc/28/06/26/460280626.db2.gz MSUDAWHJYFFSNM-HOCLYGCPSA-N 0 0 340.445 3.373 10 5 EGBERN CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033496 460280729 /nfs/dbraw/zinc/28/07/29/460280729.db2.gz MSUDAWHJYFFSNM-GDBMZVCRSA-N 0 0 340.445 3.373 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@H]1CCCO1 ZINC000619153519 460282259 /nfs/dbraw/zinc/28/22/59/460282259.db2.gz LHAMMUSSFLRKJB-SNVBAGLBSA-N 0 0 328.752 3.016 10 5 EGBERN COC(=O)[C@](C)(NCc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599644708 460296443 /nfs/dbraw/zinc/29/64/43/460296443.db2.gz WMHRIDQYRYRILP-LJQANCHMSA-N 0 0 342.395 3.390 10 5 EGBERN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599675110 460305905 /nfs/dbraw/zinc/30/59/05/460305905.db2.gz NQUYQDMRWVBEEM-ZBEGNZNMSA-N 0 0 337.807 3.451 10 5 EGBERN Cc1cnc(N2CCO[C@H](c3ccc(F)c(C)c3)C2)c([N+](=O)[O-])c1 ZINC000611204634 460307996 /nfs/dbraw/zinc/30/79/96/460307996.db2.gz IWABHDOJWCLPCT-INIZCTEOSA-N 0 0 331.347 3.324 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC(CC(F)(F)F)C1 ZINC000611223724 460311073 /nfs/dbraw/zinc/31/10/73/460311073.db2.gz GLTWVMFEIYVLGI-UHFFFAOYSA-N 0 0 339.273 3.167 10 5 EGBERN Cc1cc(C(=O)N2CCC(c3cccnc3)CC2)cc([N+](=O)[O-])c1 ZINC000611256386 460319858 /nfs/dbraw/zinc/31/98/58/460319858.db2.gz BWOMGFQAZZDTFM-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN CCC(F)(F)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599734384 460323276 /nfs/dbraw/zinc/32/32/76/460323276.db2.gz VKKIKPWMLUUNNQ-UHFFFAOYSA-N 0 0 339.245 3.363 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C)c1C(F)F ZINC000611283605 460328430 /nfs/dbraw/zinc/32/84/30/460328430.db2.gz JSMQXVDDUNNXTB-UHFFFAOYSA-N 0 0 338.314 3.443 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599772659 460331256 /nfs/dbraw/zinc/33/12/56/460331256.db2.gz CHMUWJXKCFKXGF-OAHLLOKOSA-N 0 0 346.431 3.350 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(Cc2cccs2)C1 ZINC000599779405 460332743 /nfs/dbraw/zinc/33/27/43/460332743.db2.gz HMBYUXHTBBNYML-UHFFFAOYSA-N 0 0 347.396 3.371 10 5 EGBERN C/C=C/CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599785293 460333630 /nfs/dbraw/zinc/33/36/30/460333630.db2.gz NOYBSADIUQBXSK-ONEGZZNKSA-N 0 0 328.166 3.363 10 5 EGBERN CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000615499046 460337305 /nfs/dbraw/zinc/33/73/05/460337305.db2.gz OBRTVPCRNXNVBV-UHFFFAOYSA-N 0 0 342.399 3.466 10 5 EGBERN COC1([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599838605 460346261 /nfs/dbraw/zinc/34/62/61/460346261.db2.gz LFJNAAXGLCWGPR-LLVKDONJSA-N 0 0 344.371 3.222 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCO1 ZINC000611402012 460356222 /nfs/dbraw/zinc/35/62/22/460356222.db2.gz WDQWBIFINHFIJY-CYBMUJFWSA-N 0 0 338.429 3.394 10 5 EGBERN CCOC(=O)c1nc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611403974 460356276 /nfs/dbraw/zinc/35/62/76/460356276.db2.gz MJZKZRGSOUFGSH-AWEZNQCLSA-N 0 0 349.412 3.469 10 5 EGBERN CCOC(=O)Cc1csc(Sc2sccc2[N+](=O)[O-])n1 ZINC000611411373 460358868 /nfs/dbraw/zinc/35/88/68/460358868.db2.gz NUXVLRZCOMAFNE-UHFFFAOYSA-N 0 0 330.412 3.370 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000611475490 460372445 /nfs/dbraw/zinc/37/24/45/460372445.db2.gz PEAKOMZOQGUWKJ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000619526968 460374762 /nfs/dbraw/zinc/37/47/62/460374762.db2.gz LJHCVWOQHVCSKU-RYUDHWBXSA-N 0 0 331.347 3.410 10 5 EGBERN CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000611484830 460374902 /nfs/dbraw/zinc/37/49/02/460374902.db2.gz TXFXWZVZKIXQFM-GDBMZVCRSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611505643 460380834 /nfs/dbraw/zinc/38/08/34/460380834.db2.gz DPQWSOZXMFOWPL-UFBFGSQYSA-N 0 0 345.168 3.177 10 5 EGBERN C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](c2ccco2)C1 ZINC000611525711 460388885 /nfs/dbraw/zinc/38/88/85/460388885.db2.gz DZNOJVRYVBGFEE-IAQYHMDHSA-N 0 0 331.372 3.240 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000611568398 460402172 /nfs/dbraw/zinc/40/21/72/460402172.db2.gz PCRZHGPWGULOSO-VIFPVBQESA-N 0 0 349.721 3.484 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616746 460414960 /nfs/dbraw/zinc/41/49/60/460414960.db2.gz KFEYWIMCQUQOEE-VJBOLBCHSA-N 0 0 325.434 3.098 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600170988 460419189 /nfs/dbraw/zinc/41/91/89/460419189.db2.gz VALVQGBQMPKSIX-KFWWJZLASA-N 0 0 331.416 3.339 10 5 EGBERN O=C(NCc1ccccc1)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604433422 460427206 /nfs/dbraw/zinc/42/72/06/460427206.db2.gz VMZOCOSFFXPKOV-UHFFFAOYSA-N 0 0 345.424 3.189 10 5 EGBERN COc1ccc(Cl)cc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611702744 460433150 /nfs/dbraw/zinc/43/31/50/460433150.db2.gz YBDJJHWHDXIGTB-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619871404 460458636 /nfs/dbraw/zinc/45/86/36/460458636.db2.gz GSNCKMOIFFSUDC-JSGCOSHPSA-N 0 0 336.351 3.005 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000616055161 460460660 /nfs/dbraw/zinc/46/06/60/460460660.db2.gz RJWWYOGOSZBBEE-ZJUUUORDSA-N 0 0 329.194 3.381 10 5 EGBERN CNc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000600301748 460466706 /nfs/dbraw/zinc/46/67/06/460466706.db2.gz JSQIUJWEAHRQPV-KRWDZBQOSA-N 0 0 340.383 3.303 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000600364275 460483361 /nfs/dbraw/zinc/48/33/61/460483361.db2.gz PKJWMWGVVQEURE-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600511481 460508290 /nfs/dbraw/zinc/50/82/90/460508290.db2.gz WGOMERFOOAGWHZ-YVEFUNNKSA-N 0 0 346.408 3.044 10 5 EGBERN CC1(C)C(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000600536877 460515802 /nfs/dbraw/zinc/51/58/02/460515802.db2.gz LUWBMAFQIDSMAE-UHFFFAOYSA-N 0 0 328.372 3.105 10 5 EGBERN CCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000600563103 460525771 /nfs/dbraw/zinc/52/57/71/460525771.db2.gz KHWICDKQPRQVNW-UHFFFAOYSA-N 0 0 327.362 3.123 10 5 EGBERN O=C1[C@@H](SC[C@@H]2C[C@H]3C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000600579515 460532223 /nfs/dbraw/zinc/53/22/23/460532223.db2.gz OWXYIRAUXJNCEM-ZWUHOBOKSA-N 0 0 332.425 3.479 10 5 EGBERN O=C1[C@H](Nc2ccsc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000616403007 460547259 /nfs/dbraw/zinc/54/72/59/460547259.db2.gz MGTIIBYMEUMHSB-GFCCVEGCSA-N 0 0 335.360 3.008 10 5 EGBERN CC(C)(C)c1csc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601150294 460733607 /nfs/dbraw/zinc/73/36/07/460733607.db2.gz UZMUPUKDYLKBAA-KRWDZBQOSA-N 0 0 349.456 3.346 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC2(CCC2)[C@@H]1C1CC1 ZINC000601165878 460738257 /nfs/dbraw/zinc/73/82/57/460738257.db2.gz APCZRMOTKANBJU-NSHDSACASA-N 0 0 330.310 3.116 10 5 EGBERN COc1ccc([C@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)cc1F ZINC000601205100 460749636 /nfs/dbraw/zinc/74/96/36/460749636.db2.gz WNNPUONTHMVUSZ-NSHDSACASA-N 0 0 335.310 3.271 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000601213454 460753517 /nfs/dbraw/zinc/75/35/17/460753517.db2.gz DOPOLHRUCZDWAA-CQSZACIVSA-N 0 0 342.399 3.020 10 5 EGBERN COC(=O)CCn1nc(C)c(Nc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000601240465 460762005 /nfs/dbraw/zinc/76/20/05/460762005.db2.gz TYEOIJFQAIVDNR-UHFFFAOYSA-N 0 0 332.360 3.023 10 5 EGBERN COc1cc(NCc2cccc3c2CCOC3)c([N+](=O)[O-])cc1F ZINC000601240315 460762745 /nfs/dbraw/zinc/76/27/45/460762745.db2.gz YMTCBRIJSMIUJB-UHFFFAOYSA-N 0 0 332.331 3.427 10 5 EGBERN COc1cccc([C@@H](C)c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000612918204 460771623 /nfs/dbraw/zinc/77/16/23/460771623.db2.gz WZGODRRFRJMNBN-SNVBAGLBSA-N 0 0 326.312 3.200 10 5 EGBERN COC[C@@H](CCNC(=O)c1cc2ccccc2c2cccnc12)OC ZINC000617233233 460781226 /nfs/dbraw/zinc/78/12/26/460781226.db2.gz QNPZHWCSOKUFNW-OAHLLOKOSA-N 0 0 338.407 3.169 10 5 EGBERN CC(C)[C@@H](O)C(C)(C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367895 460797144 /nfs/dbraw/zinc/79/71/44/460797144.db2.gz DFJLWKUQWWWPFL-MRXNPFEDSA-N 0 0 348.443 3.176 10 5 EGBERN O=C(NCC[C@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601418765 460808203 /nfs/dbraw/zinc/80/82/03/460808203.db2.gz AROZHTAFSYYFPC-MRXNPFEDSA-N 0 0 332.400 3.092 10 5 EGBERN O=C(NC/C=C\c1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601598703 460843102 /nfs/dbraw/zinc/84/31/02/460843102.db2.gz KHQGSFQWXKWDNU-DJWKRKHSSA-N 0 0 337.379 3.241 10 5 EGBERN CC1(C)CCC[C@]1(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601606723 460845940 /nfs/dbraw/zinc/84/59/40/460845940.db2.gz KJEQBVOLGYSUEA-IBGZPJMESA-N 0 0 346.427 3.074 10 5 EGBERN COC1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601633592 460852956 /nfs/dbraw/zinc/85/29/56/460852956.db2.gz TVGLALGPHBPFFI-UHFFFAOYSA-N 0 0 332.400 3.090 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601639340 460853303 /nfs/dbraw/zinc/85/33/03/460853303.db2.gz IEPHXZKWBWTYQZ-GOEBONIOSA-N 0 0 332.400 3.090 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1ccncc1 ZINC000613185482 460856057 /nfs/dbraw/zinc/85/60/57/460856057.db2.gz IXFJUOMBYLHHRP-HOCLYGCPSA-N 0 0 341.411 3.478 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601653141 460857001 /nfs/dbraw/zinc/85/70/01/460857001.db2.gz CRXPHTDRBIPMJV-OAHLLOKOSA-N 0 0 340.383 3.051 10 5 EGBERN Cn1cc(C(=O)N[C@@H]2CCCC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601703959 460876953 /nfs/dbraw/zinc/87/69/53/460876953.db2.gz HRDONDXFTNQFQZ-OAHLLOKOSA-N 0 0 340.383 3.058 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601706430 460878903 /nfs/dbraw/zinc/87/89/03/460878903.db2.gz UTEVQKOZVBMKNT-LBPRGKRZSA-N 0 0 326.299 3.259 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(CCF)CC1 ZINC000601747040 460889809 /nfs/dbraw/zinc/88/98/09/460889809.db2.gz IXNMQUDLWXBOND-UHFFFAOYSA-N 0 0 330.306 3.014 10 5 EGBERN O=C(N[C@]12C[C@H]1CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601773201 460894329 /nfs/dbraw/zinc/89/43/29/460894329.db2.gz KGASWSGCRQXMGK-DNVCBOLYSA-N 0 0 343.427 3.260 10 5 EGBERN C[C@H](CC1CCCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775510 460895215 /nfs/dbraw/zinc/89/52/15/460895215.db2.gz FHZQKQOMMLFWGD-FZKQIMNGSA-N 0 0 334.416 3.135 10 5 EGBERN CCOc1cc(C(=O)N[C@@H](C)CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000601871813 460931553 /nfs/dbraw/zinc/93/15/53/460931553.db2.gz VKIHIHVVIJEGEX-NSHDSACASA-N 0 0 336.388 3.311 10 5 EGBERN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000617752356 460966746 /nfs/dbraw/zinc/96/67/46/460966746.db2.gz VHWBMAZZHWTXOE-KBPBESRZSA-N 0 0 340.379 3.015 10 5 EGBERN C[C@@H](C(=O)N1CCC(c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617758675 460968681 /nfs/dbraw/zinc/96/86/81/460968681.db2.gz GWISUYZKIJEBRX-CQSZACIVSA-N 0 0 339.395 3.500 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nnc(C3CC3)n2C2CC2)c1 ZINC000132870426 533995691 /nfs/dbraw/zinc/99/56/91/533995691.db2.gz XTOCDZKKEUBLBF-UHFFFAOYSA-N 0 0 347.350 3.158 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000342428376 517725757 /nfs/dbraw/zinc/72/57/57/517725757.db2.gz JFSHJHLOMWHNHL-DIFFPNOSSA-N 0 0 342.351 3.246 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000349182044 517882112 /nfs/dbraw/zinc/88/21/12/517882112.db2.gz UNQUJECKISYVOP-GXTWGEPZSA-N 0 0 346.362 3.016 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000362775199 518190707 /nfs/dbraw/zinc/19/07/07/518190707.db2.gz RMGCNRJNZLZFBS-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1csc([C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000184714037 534828455 /nfs/dbraw/zinc/82/84/55/534828455.db2.gz MWABEYIYLLSOPC-VIFPVBQESA-N 0 0 344.396 3.375 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000132475885 528070155 /nfs/dbraw/zinc/07/01/55/528070155.db2.gz LLJFHELDVXSTMW-KGLIPLIRSA-N 0 0 338.429 3.384 10 5 EGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000133750199 528596273 /nfs/dbraw/zinc/59/62/73/528596273.db2.gz UYXWREXYXZHUBF-AWEZNQCLSA-N 0 0 336.436 3.225 10 5 EGBERN CC(C)[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174745790 528966509 /nfs/dbraw/zinc/96/65/09/528966509.db2.gz TWQBBZBJDIWYEZ-ZDUSSCGKSA-N 0 0 335.404 3.192 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3nc(C)ccc3[N+](=O)[O-])ccc21 ZINC000184035750 535430402 /nfs/dbraw/zinc/43/04/02/535430402.db2.gz LTOKXSLJJVSSES-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)nn(C)c1C ZINC000347912913 535806298 /nfs/dbraw/zinc/80/62/98/535806298.db2.gz MVRLOIGJUJWXJC-CYBMUJFWSA-N 0 0 343.387 3.327 10 5 EGBERN CCn1c(C)cc(C(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000359625881 535966722 /nfs/dbraw/zinc/96/67/22/535966722.db2.gz PMCBZKAGAWSGBX-UHFFFAOYSA-N 0 0 331.372 3.307 10 5 EGBERN CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@@H](C)CO ZINC000154799820 546894788 /nfs/dbraw/zinc/89/47/88/546894788.db2.gz FXGZKCNPFKXYOO-LBPRGKRZSA-N 0 0 328.437 3.290 10 5 EGBERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277642842 547359528 /nfs/dbraw/zinc/35/95/28/547359528.db2.gz CXLVKQMYAZKDSQ-LQAWEQHXSA-N 0 0 334.375 3.143 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000433998570 547899172 /nfs/dbraw/zinc/89/91/72/547899172.db2.gz GZPNQKNJUZNJNJ-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cn(-c3ccccc3)nn2)cc1Cl ZINC000726742191 574568742 /nfs/dbraw/zinc/56/87/42/574568742.db2.gz HZGGTDNHUUHNOW-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000727826761 574692239 /nfs/dbraw/zinc/69/22/39/574692239.db2.gz ALHAJHYDIRBQJJ-PXAMLJHWSA-N 0 0 348.399 3.134 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000728202038 574729420 /nfs/dbraw/zinc/72/94/20/574729420.db2.gz RLDNJAQHIBAPTC-MGPQQGTHSA-N 0 0 331.416 3.135 10 5 EGBERN O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000728551836 574758461 /nfs/dbraw/zinc/75/84/61/574758461.db2.gz LZZLZAWNLLJGDY-UHFFFAOYSA-N 0 0 338.323 3.149 10 5 EGBERN Cc1ncsc1CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000729890700 574894352 /nfs/dbraw/zinc/89/43/52/574894352.db2.gz BTAPYXQBQMWGTQ-UHFFFAOYSA-N 0 0 331.353 3.241 10 5 EGBERN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)s1 ZINC000730014949 574903398 /nfs/dbraw/zinc/90/33/98/574903398.db2.gz IPZJAMGHAYVGPL-UHFFFAOYSA-N 0 0 334.353 3.016 10 5 EGBERN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc(F)ccc1F ZINC000730295470 574967310 /nfs/dbraw/zinc/96/73/10/574967310.db2.gz WGBKMURYZSOMLW-SECBINFHSA-N 0 0 335.262 3.301 10 5 EGBERN COc1ccccc1[C@@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731206341 575059927 /nfs/dbraw/zinc/05/99/27/575059927.db2.gz GZXFEUQPISSSKQ-ZDUSSCGKSA-N 0 0 345.380 3.359 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000733189711 575318774 /nfs/dbraw/zinc/31/87/74/575318774.db2.gz VFIBJJQQHNDGQI-GFCCVEGCSA-N 0 0 336.392 3.191 10 5 EGBERN CC(C)c1cnc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC000733475187 575349432 /nfs/dbraw/zinc/34/94/32/575349432.db2.gz ATGVPXCUAQPGCL-UHFFFAOYSA-N 0 0 326.255 3.341 10 5 EGBERN CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000734590909 575522378 /nfs/dbraw/zinc/52/23/78/575522378.db2.gz LXGQRPOMAFOGGP-UHFFFAOYSA-N 0 0 333.365 3.360 10 5 EGBERN CCC/C=C/C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000735218881 575617221 /nfs/dbraw/zinc/61/72/21/575617221.db2.gz UXNAOTCXXATENJ-BJTBTHHMSA-N 0 0 346.383 3.099 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000741603224 576704467 /nfs/dbraw/zinc/70/44/67/576704467.db2.gz HFQBAFJEZADCCB-AEFFLSMTSA-N 0 0 344.342 3.203 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000742417995 576781931 /nfs/dbraw/zinc/78/19/31/576781931.db2.gz IYGGDYAXJFQWPC-XQRVVYSFSA-N 0 0 333.369 3.158 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1Br ZINC000698334534 1298167954 /nfs/dbraw/zinc/16/79/54/1298167954.db2.gz KSLZMDQDGRNSKI-ONGXEEELSA-N 0 0 339.189 3.133 10 5 EGBERN COc1ccc(CSCc2cc(Cl)n(C)n2)cc1[N+](=O)[O-] ZINC000863402401 1329552099 /nfs/dbraw/zinc/55/20/99/1329552099.db2.gz KAGWTMNIRGAFOF-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN C[C@H](N(C)C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000030422713 1291348709 /nfs/dbraw/zinc/34/87/09/1291348709.db2.gz YPCVXZGUMURFAN-SYTKJHMZSA-N 0 0 348.399 3.368 10 5 EGBERN COc1ccc(/C=C\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000096891481 1292954682 /nfs/dbraw/zinc/95/46/82/1292954682.db2.gz HLUUDZACFPMODR-HJWRWDBZSA-N 0 0 337.328 3.187 10 5 EGBERN O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(Cl)sc1Cl ZINC000177754285 1294691698 /nfs/dbraw/zinc/69/16/98/1294691698.db2.gz XRJLRDZAAWYSQB-UHFFFAOYSA-N 0 0 336.156 3.017 10 5 EGBERN O=C(OCc1ccccc1[N+](=O)[O-])C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000869998344 1295585544 /nfs/dbraw/zinc/58/55/44/1295585544.db2.gz LHPPESJJDXZXEK-NNQSOWQGSA-N 0 0 331.368 3.424 10 5 EGBERN CC(C)(C)c1csc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000870059864 1295620900 /nfs/dbraw/zinc/62/09/00/1295620900.db2.gz MUKDPSHNPHQVGW-UHFFFAOYSA-N 0 0 348.380 3.389 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@]2(CC(C)C)CCNC2=O)cc1[N+](=O)[O-] ZINC000870234329 1295754035 /nfs/dbraw/zinc/75/40/35/1295754035.db2.gz ZBGAPOAZJGPNHI-SCLBCKFNSA-N 0 0 348.399 3.060 10 5 EGBERN CCn1ncc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)c1C ZINC000870278857 1295783891 /nfs/dbraw/zinc/78/38/91/1295783891.db2.gz OWWDOQLKFGUERL-UHFFFAOYSA-N 0 0 335.385 3.069 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000192795269 1295800765 /nfs/dbraw/zinc/80/07/65/1295800765.db2.gz FBWCEDGFFXIFOD-NSHDSACASA-N 0 0 329.331 3.124 10 5 EGBERN O=C(OCCOC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000870491067 1295902476 /nfs/dbraw/zinc/90/24/76/1295902476.db2.gz JIJOJPXTTUKBBM-UHFFFAOYSA-N 0 0 347.167 3.307 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000870541944 1295933452 /nfs/dbraw/zinc/93/34/52/1295933452.db2.gz POMZOCMHCIUETR-SQWLQELKSA-N 0 0 339.351 3.109 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cn2c(n1)CCCC2 ZINC000870700983 1296027820 /nfs/dbraw/zinc/02/78/20/1296027820.db2.gz OGNGPGIUSUAANH-UHFFFAOYSA-N 0 0 329.356 3.101 10 5 EGBERN CSc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829181 1296106484 /nfs/dbraw/zinc/10/64/84/1296106484.db2.gz HFKFGSQXUUHXQS-UHFFFAOYSA-N 0 0 333.369 3.074 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828327 1296106553 /nfs/dbraw/zinc/10/65/53/1296106553.db2.gz OMCKWMAZWZFSPM-KLQNOENESA-N 0 0 341.367 3.088 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000870828356 1296106591 /nfs/dbraw/zinc/10/65/91/1296106591.db2.gz PBUYOOGXQBTSGP-XTQFYOIMSA-N 0 0 347.293 3.017 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000870830439 1296107453 /nfs/dbraw/zinc/10/74/53/1296107453.db2.gz BWATZTXWFVJFGT-UZVIJOLCSA-N 0 0 333.388 3.254 10 5 EGBERN O=[N+]([O-])c1ccnc(NCCc2ccc(Br)s2)c1 ZINC000226432565 1296140366 /nfs/dbraw/zinc/14/03/66/1296140366.db2.gz NDLHTEQTRWSNRI-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000871223611 1296282525 /nfs/dbraw/zinc/28/25/25/1296282525.db2.gz YVXYHGXWMSYLIH-GFCCVEGCSA-N 0 0 335.379 3.359 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000871296861 1296326337 /nfs/dbraw/zinc/32/63/37/1296326337.db2.gz DYKBCZDZZFNJNW-RDJZCZTQSA-N 0 0 332.400 3.092 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000871296854 1296326741 /nfs/dbraw/zinc/32/67/41/1296326741.db2.gz DYKBCZDZZFNJNW-DOTOQJQBSA-N 0 0 332.400 3.092 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871327249 1296349833 /nfs/dbraw/zinc/34/98/33/1296349833.db2.gz XHRXQHXWHYQYOI-CQSZACIVSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](OC3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000871334476 1296357513 /nfs/dbraw/zinc/35/75/13/1296357513.db2.gz SNKZRJKGVKKERR-KRWDZBQOSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871339006 1296359877 /nfs/dbraw/zinc/35/98/77/1296359877.db2.gz XFAHRRRJWORSFD-KRWDZBQOSA-N 0 0 332.400 3.088 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871339259 1296359923 /nfs/dbraw/zinc/35/99/23/1296359923.db2.gz ZTEMUNQIQWNMSD-CYBMUJFWSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000871338726 1296360694 /nfs/dbraw/zinc/36/06/94/1296360694.db2.gz QMQWJHAIMGHZTB-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ncnc2c1ncn2C ZINC000871700975 1296488260 /nfs/dbraw/zinc/48/82/60/1296488260.db2.gz SYWCZHANGXTBAS-JTQLQIEISA-N 0 0 329.385 3.433 10 5 EGBERN COc1cccc(/C(C)=C\C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000255180201 1296507229 /nfs/dbraw/zinc/50/72/29/1296507229.db2.gz NZBWHMROQHOWAF-RAXLEYEMSA-N 0 0 326.352 3.323 10 5 EGBERN CC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000871743077 1296512010 /nfs/dbraw/zinc/51/20/10/1296512010.db2.gz ZDEWOQOYPYZMOI-UHFFFAOYSA-N 0 0 325.752 3.081 10 5 EGBERN COc1ccc(CCC(=O)NO[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000871799546 1296541076 /nfs/dbraw/zinc/54/10/76/1296541076.db2.gz PFUBXIYPPCLTCJ-CYBMUJFWSA-N 0 0 344.367 3.345 10 5 EGBERN CCC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000302303137 1296800944 /nfs/dbraw/zinc/80/09/44/1296800944.db2.gz HOKPTGWKQYSJNV-MRVPVSSYSA-N 0 0 330.182 3.013 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000873474171 1297525774 /nfs/dbraw/zinc/52/57/74/1297525774.db2.gz MWYBOJOUSZMJNI-ZIAGYGMSSA-N 0 0 335.356 3.006 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000873573257 1297598066 /nfs/dbraw/zinc/59/80/66/1297598066.db2.gz YVHACZLSCGMYJW-SWLSCSKDSA-N 0 0 337.372 3.354 10 5 EGBERN C[C@@H](Oc1cc(Br)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000703802636 1298202177 /nfs/dbraw/zinc/20/21/77/1298202177.db2.gz AAQIQACYZJAMDF-MRVPVSSYSA-N 0 0 346.177 3.466 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000875348200 1298304695 /nfs/dbraw/zinc/30/46/95/1298304695.db2.gz GDGRGXLHERAWLO-DZKIICNBSA-N 0 0 349.456 3.440 10 5 EGBERN Cc1c(Br)cccc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000876841235 1299026536 /nfs/dbraw/zinc/02/65/36/1299026536.db2.gz NEPXIFCWIKACHN-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000878354491 1299940469 /nfs/dbraw/zinc/94/04/69/1299940469.db2.gz NLUUVAPATRNCPY-HNAYVOBHSA-N 0 0 340.379 3.197 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(CC2CC2)s1 ZINC000879889784 1300781392 /nfs/dbraw/zinc/78/13/92/1300781392.db2.gz WZCGQTYXPVIHPV-UHFFFAOYSA-N 0 0 345.424 3.319 10 5 EGBERN CCc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000881206306 1301482544 /nfs/dbraw/zinc/48/25/44/1301482544.db2.gz WOBIVWDKVDHWOY-UHFFFAOYSA-N 0 0 326.356 3.142 10 5 EGBERN CC(C)(C(=O)N1CC[C@H](c2nccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000881704041 1301697429 /nfs/dbraw/zinc/69/74/29/1301697429.db2.gz CXCJHDZZZVGMOF-LBPRGKRZSA-N 0 0 345.424 3.345 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCCc3nc(C)ncc32)cccc1[N+](=O)[O-] ZINC000881992995 1301775677 /nfs/dbraw/zinc/77/56/77/1301775677.db2.gz XIRPAURWVQUUMZ-CQSZACIVSA-N 0 0 326.356 3.385 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC2(COC2)CC1 ZINC000882771464 1302100204 /nfs/dbraw/zinc/10/02/04/1302100204.db2.gz DCXLLPUTGOSDRI-RAXLEYEMSA-N 0 0 330.384 3.074 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cccc1[N+](=O)[O-] ZINC000884699119 1302955260 /nfs/dbraw/zinc/95/52/60/1302955260.db2.gz XWJSMBVTOOUTBM-DGBRYZOVSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(NC1C[C@H]2CC[C@@H](C1)S2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000888369621 1304136974 /nfs/dbraw/zinc/13/69/74/1304136974.db2.gz DPCGSCYUKQAYJT-UIEWWBOYSA-N 0 0 332.425 3.241 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)C1CCCC1 ZINC000889112589 1304389322 /nfs/dbraw/zinc/38/93/22/1304389322.db2.gz CMGYPDKIHOIYRC-QOHRORDFSA-N 0 0 332.400 3.056 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000889727459 1304574327 /nfs/dbraw/zinc/57/43/27/1304574327.db2.gz MZEQLSCONRKSJL-JYRVWZFOSA-N 0 0 344.411 3.462 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000892647783 1305487742 /nfs/dbraw/zinc/48/77/42/1305487742.db2.gz HVYZDAHBBJZQGZ-QNNTWYEPSA-N 0 0 341.367 3.287 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC000892852995 1305579292 /nfs/dbraw/zinc/57/92/92/1305579292.db2.gz GQWYBOLJTQAXPL-DLBZAZTESA-N 0 0 344.411 3.327 10 5 EGBERN CCOc1ccc(C(=O)NCC(C)(C)CC(F)F)cc1[N+](=O)[O-] ZINC000893375819 1305855984 /nfs/dbraw/zinc/85/59/84/1305855984.db2.gz VCLVZUBHKCOIJI-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCCc1ccns1 ZINC000893376863 1305858286 /nfs/dbraw/zinc/85/82/86/1305858286.db2.gz HBHATCCXFNFYKG-UHFFFAOYSA-N 0 0 335.385 3.029 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](c2nccs2)C1 ZINC000893524682 1305949595 /nfs/dbraw/zinc/94/95/95/1305949595.db2.gz KCYKCWSLNZEPME-VIFPVBQESA-N 0 0 337.788 3.334 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2nccs2)C1 ZINC000893527785 1305951192 /nfs/dbraw/zinc/95/11/92/1305951192.db2.gz HAEXWWMTRYSHJH-ACVFHECNSA-N 0 0 329.381 3.081 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1c2ccccc2CC[C@@H]1F ZINC000893724583 1306049843 /nfs/dbraw/zinc/04/98/43/1306049843.db2.gz PJHSVABKYLOVPO-WMLDXEAASA-N 0 0 347.346 3.059 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2C[C@H](C)Cn3nccc32)cc1[N+](=O)[O-] ZINC000893880351 1306110457 /nfs/dbraw/zinc/11/04/57/1306110457.db2.gz NGXIPKXHHOAOTB-VIFPVBQESA-N 0 0 334.763 3.050 10 5 EGBERN O=C(NC[C@@H]1CC2(CCC2)CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000894412854 1308864627 /nfs/dbraw/zinc/86/46/27/1308864627.db2.gz HRQPUHPCOOQDAE-ZDUSSCGKSA-N 0 0 330.340 3.030 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000894525228 1308937451 /nfs/dbraw/zinc/93/74/51/1308937451.db2.gz GUYWFOMYJLUSJT-GFCCVEGCSA-N 0 0 336.363 3.121 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000894527481 1308938857 /nfs/dbraw/zinc/93/88/57/1308938857.db2.gz LHEKTTSJVDCZRT-CYBMUJFWSA-N 0 0 348.399 3.073 10 5 EGBERN C[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000894664108 1309010424 /nfs/dbraw/zinc/01/04/24/1309010424.db2.gz UVBZWWQAQPEEQO-GOSISDBHSA-N 0 0 346.427 3.383 10 5 EGBERN Cc1cc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000894665206 1309011763 /nfs/dbraw/zinc/01/17/63/1309011763.db2.gz MOQSHILBUJFULQ-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1ccc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894671897 1309015713 /nfs/dbraw/zinc/01/57/13/1309015713.db2.gz FQGZMMPASYUDAQ-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894706436 1309030340 /nfs/dbraw/zinc/03/03/40/1309030340.db2.gz WRBMCOBXTDPCLZ-HSYXRWIHSA-N 0 0 330.384 3.026 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000895447478 1309342338 /nfs/dbraw/zinc/34/23/38/1309342338.db2.gz ZOTSOLFQTIWODS-GXFFZTMASA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647702 1309447258 /nfs/dbraw/zinc/44/72/58/1309447258.db2.gz LHGVDDJROFNSGA-UGSOOPFHSA-N 0 0 344.342 3.093 10 5 EGBERN CC(C)c1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848250 1309557968 /nfs/dbraw/zinc/55/79/68/1309557968.db2.gz YYLQWZCTXIZKIR-OAHLLOKOSA-N 0 0 346.349 3.465 10 5 EGBERN CC(=O)c1ccc(NCc2cc(C(F)(F)F)nn2C)c([N+](=O)[O-])c1 ZINC000896062401 1309679600 /nfs/dbraw/zinc/67/96/00/1309679600.db2.gz DLCLUVPYJWQSMK-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C(F)(F)F)c(Br)c1 ZINC000896093147 1309696210 /nfs/dbraw/zinc/69/62/10/1309696210.db2.gz WDGDGTMPVACXFM-CAHLUQPWSA-N 0 0 340.099 3.363 10 5 EGBERN C[C@]1(c2ccccc2)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000896144254 1309718434 /nfs/dbraw/zinc/71/84/34/1309718434.db2.gz ROIPLCSVUWKDFW-MAUKXSAKSA-N 0 0 336.351 3.409 10 5 EGBERN Nc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cc2ccccc2c1[N+](=O)[O-] ZINC000897139281 1310199834 /nfs/dbraw/zinc/19/98/34/1310199834.db2.gz JZZVKMCJBLOZIC-UHFFFAOYSA-N 0 0 347.321 3.202 10 5 EGBERN Nc1c(C(=O)N2OC3CCC2CC3)cc2ccccc2c1[N+](=O)[O-] ZINC000899189024 1310971626 /nfs/dbraw/zinc/97/16/26/1310971626.db2.gz UXCQUTVUXXROCS-UHFFFAOYSA-N 0 0 327.340 3.029 10 5 EGBERN COCC1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCCCC1 ZINC000857575124 1328551562 /nfs/dbraw/zinc/55/15/62/1328551562.db2.gz KYLGTVKQJVLDEQ-UHFFFAOYSA-N 0 0 328.315 3.408 10 5 EGBERN CO[C@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000857599039 1328559794 /nfs/dbraw/zinc/55/97/94/1328559794.db2.gz GNNZDGOLBRYKQD-LBPRGKRZSA-N 0 0 343.177 3.111 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000857600352 1328560216 /nfs/dbraw/zinc/56/02/16/1328560216.db2.gz YTUGEXLZONGTMN-WPRPVWTQSA-N 0 0 343.177 3.111 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000857600351 1328560302 /nfs/dbraw/zinc/56/03/02/1328560302.db2.gz YTUGEXLZONGTMN-WCBMZHEXSA-N 0 0 343.177 3.111 10 5 EGBERN COC(=O)C1(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000857623735 1328567643 /nfs/dbraw/zinc/56/76/43/1328567643.db2.gz BCVKOOICLKOHFC-UHFFFAOYSA-N 0 0 347.367 3.070 10 5 EGBERN Cc1cc(OCC(=O)O[C@H](C)c2cccnc2C)ccc1[N+](=O)[O-] ZINC000857664532 1328579025 /nfs/dbraw/zinc/57/90/25/1328579025.db2.gz DKMCNDWFRUIKFF-CYBMUJFWSA-N 0 0 330.340 3.290 10 5 EGBERN C/C(=C\C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccs1 ZINC000857716248 1328589922 /nfs/dbraw/zinc/58/99/22/1328589922.db2.gz RWHXXASUXKFKPQ-YRNVUSSQSA-N 0 0 329.381 3.040 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCc3cccnc32)cc1Cl ZINC000857970196 1328644143 /nfs/dbraw/zinc/64/41/43/1328644143.db2.gz OSIAEKOWFKBTLL-GFCCVEGCSA-N 0 0 345.786 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010062 1328656022 /nfs/dbraw/zinc/65/60/22/1328656022.db2.gz ZGOXLQKHSBRPPG-MRXNPFEDSA-N 0 0 340.383 3.228 10 5 EGBERN O=C(NCCOCC(F)(F)F)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858277235 1328727452 /nfs/dbraw/zinc/72/74/52/1328727452.db2.gz CHZHANYEUKPCMB-UHFFFAOYSA-N 0 0 342.273 3.057 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1([C@H]2CCCCO2)CC1 ZINC000930159370 1328801442 /nfs/dbraw/zinc/80/14/42/1328801442.db2.gz GLTWLYWUEKBSFA-CYBMUJFWSA-N 0 0 339.779 3.471 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCCS1 ZINC000913384967 1319020110 /nfs/dbraw/zinc/02/01/10/1319020110.db2.gz LAKJMESHVYIZOV-LLVKDONJSA-N 0 0 332.784 3.289 10 5 EGBERN CC[C@H](C)[C@H](OC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385202 1319020168 /nfs/dbraw/zinc/02/01/68/1319020168.db2.gz SUHZQVRRHHIJLG-SDBXPKJASA-N 0 0 332.759 3.065 10 5 EGBERN CCO[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000913385300 1319020224 /nfs/dbraw/zinc/02/02/24/1319020224.db2.gz XCBXLGZIFPUUMN-ZDUSSCGKSA-N 0 0 346.786 3.455 10 5 EGBERN C[C@H]1C[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000913385329 1319020277 /nfs/dbraw/zinc/02/02/77/1319020277.db2.gz XVOJOPZZHRXRMN-WPRPVWTQSA-N 0 0 342.754 3.009 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386413 1319021097 /nfs/dbraw/zinc/02/10/97/1319021097.db2.gz UHQHXJDWBPCYBH-GWCFXTLKSA-N 0 0 344.770 3.209 10 5 EGBERN CN(C[C@]1(O)CCc2ccccc21)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000858596516 1328804792 /nfs/dbraw/zinc/80/47/92/1328804792.db2.gz JTJRQRSVEKUPIR-HXUWFJFHSA-N 0 0 349.390 3.413 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)cc1Cl ZINC000913583343 1319062669 /nfs/dbraw/zinc/06/26/69/1319062669.db2.gz LKRJNSLWEOXHCW-SECBINFHSA-N 0 0 334.763 3.039 10 5 EGBERN Cc1ccc(CNC(=O)C(C)(C)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000913754787 1319115698 /nfs/dbraw/zinc/11/56/98/1319115698.db2.gz YCBSRGGVEBTZHN-UHFFFAOYSA-N 0 0 327.384 3.410 10 5 EGBERN C[C@@H](NS(=O)(=O)CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000913943880 1319187304 /nfs/dbraw/zinc/18/73/04/1319187304.db2.gz YSRIUSIWWGICCJ-SNVBAGLBSA-N 0 0 336.360 3.011 10 5 EGBERN Cc1ccc(N(C)CC2(C)COC2)c([N+](=O)[O-])c1Br ZINC000858706161 1328835554 /nfs/dbraw/zinc/83/55/54/1328835554.db2.gz NAWOYBVNDOHKHZ-UHFFFAOYSA-N 0 0 329.194 3.138 10 5 EGBERN Cc1nn(Cc2cc(C(F)(F)F)nn2C)c2ccc([N+](=O)[O-])cc12 ZINC000917332637 1319790209 /nfs/dbraw/zinc/79/02/09/1319790209.db2.gz XFLRBDLMCDIWQT-UHFFFAOYSA-N 0 0 339.277 3.054 10 5 EGBERN CC(C)(CNc1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000858801684 1328864777 /nfs/dbraw/zinc/86/47/77/1328864777.db2.gz NOCZXCRHHZWSFT-UHFFFAOYSA-N 0 0 343.786 3.448 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000858810006 1328866336 /nfs/dbraw/zinc/86/63/36/1328866336.db2.gz VUQOXGFROHLHFT-XPTSAGLGSA-N 0 0 340.763 3.014 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000930732285 1328952392 /nfs/dbraw/zinc/95/23/92/1328952392.db2.gz FBZBYJVWGNGTRF-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN COc1ccc(C(C)=O)cc1CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918887709 1322008031 /nfs/dbraw/zinc/00/80/31/1322008031.db2.gz XARRZCGHIXQUJG-UHFFFAOYSA-N 0 0 349.364 3.153 10 5 EGBERN COc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc2c1O[C@H](C)C2 ZINC000918919382 1322012315 /nfs/dbraw/zinc/01/23/15/1322012315.db2.gz NUWABFAJKVEMIR-SECBINFHSA-N 0 0 349.364 3.345 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000859482810 1328998361 /nfs/dbraw/zinc/99/83/61/1328998361.db2.gz IFMBHUOHOXGSCJ-OAHLLOKOSA-N 0 0 338.363 3.223 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cnn(-c3ccccc3)n2)cc1Cl ZINC000921143059 1322262557 /nfs/dbraw/zinc/26/25/57/1322262557.db2.gz ONGDRNZZMQNCRI-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000922143598 1322465497 /nfs/dbraw/zinc/46/54/97/1322465497.db2.gz YLWJBWMKVXMYDJ-ZWNOBZJWSA-N 0 0 326.780 3.183 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922341018 1322505549 /nfs/dbraw/zinc/50/55/49/1322505549.db2.gz JZTGLHGSNPKTDH-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000922394835 1322519318 /nfs/dbraw/zinc/51/93/18/1322519318.db2.gz XIXVLYXKOBNQAO-KCJUWKMLSA-N 0 0 337.225 3.001 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923112500 1322694489 /nfs/dbraw/zinc/69/44/89/1322694489.db2.gz OTPUAYSNMKTPQG-CSMYWGQOSA-N 0 0 347.415 3.303 10 5 EGBERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859649061 1329045132 /nfs/dbraw/zinc/04/51/32/1329045132.db2.gz FVIQTDUYDQRQBT-GXTWGEPZSA-N 0 0 328.368 3.388 10 5 EGBERN Cc1cnc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000923597659 1322779641 /nfs/dbraw/zinc/77/96/41/1322779641.db2.gz FWVPPSQEPINMON-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CC1(C(=O)COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000923595592 1322779762 /nfs/dbraw/zinc/77/97/62/1322779762.db2.gz WDJDNUWQYDUEJW-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000923761852 1322804605 /nfs/dbraw/zinc/80/46/05/1322804605.db2.gz UJRSUSWRRUFQJB-UKRRQHHQSA-N 0 0 329.356 3.069 10 5 EGBERN C[C@H]1C[C@@H](c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCO1 ZINC000923945139 1322852964 /nfs/dbraw/zinc/85/29/64/1322852964.db2.gz ZGUPVRNJZYGMLT-JQWIXIFHSA-N 0 0 335.335 3.185 10 5 EGBERN Cc1c(Cc2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000923950869 1322853464 /nfs/dbraw/zinc/85/34/64/1322853464.db2.gz NOMVQBYYTAZDSY-HOCLYGCPSA-N 0 0 343.383 3.377 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1C[C@@]12CCOC2 ZINC000923961154 1322855712 /nfs/dbraw/zinc/85/57/12/1322855712.db2.gz HLIJQNSDTLVTJB-BDJLRTHQSA-N 0 0 339.775 3.151 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cc1OC ZINC000924038805 1322881386 /nfs/dbraw/zinc/88/13/86/1322881386.db2.gz DKUYJRRNAJKGCG-CYDGBPFRSA-N 0 0 348.399 3.024 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924494888 1323037465 /nfs/dbraw/zinc/03/74/65/1323037465.db2.gz OGWUIYUWCZFDLW-ZYHUDNBSSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(COC(=O)[C@H]1C[C@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859733388 1329066035 /nfs/dbraw/zinc/06/60/35/1329066035.db2.gz NUNVCIGSZHMLOT-KBPBESRZSA-N 0 0 335.331 3.286 10 5 EGBERN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924840191 1323183808 /nfs/dbraw/zinc/18/38/08/1323183808.db2.gz BIKOUANSYQRVLA-ZDUSSCGKSA-N 0 0 331.372 3.248 10 5 EGBERN COc1cc(COC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1[N+](=O)[O-] ZINC000859854040 1329097671 /nfs/dbraw/zinc/09/76/71/1329097671.db2.gz GSSPEEFBUCRXIY-BMGDILEWSA-N 0 0 339.347 3.233 10 5 EGBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC[C@H]1O ZINC000859865011 1329100332 /nfs/dbraw/zinc/10/03/32/1329100332.db2.gz KBNQTGDBQWCUOJ-MJGOQNOKSA-N 0 0 342.395 3.419 10 5 EGBERN O=c1ccc([C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000859890058 1329107232 /nfs/dbraw/zinc/10/72/32/1329107232.db2.gz PLMYPVVAVIGYGG-ZDUSSCGKSA-N 0 0 334.763 3.081 10 5 EGBERN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)Cc2c[nH]nc21 ZINC000931462796 1329124769 /nfs/dbraw/zinc/12/47/69/1329124769.db2.gz SITWCKYLXGJBRL-VIFPVBQESA-N 0 0 340.305 3.456 10 5 EGBERN COc1cc(COC(=O)[C@@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000860069982 1329140517 /nfs/dbraw/zinc/14/05/17/1329140517.db2.gz JOMAFTYURAJHFK-LBPRGKRZSA-N 0 0 337.372 3.240 10 5 EGBERN O=C(NCC1(CCO)CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860109049 1329148890 /nfs/dbraw/zinc/14/88/90/1329148890.db2.gz MDQFEGAFUMLAGM-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCSC[C@H]1C1CC1 ZINC000931611371 1329153435 /nfs/dbraw/zinc/15/34/35/1329153435.db2.gz TVBWYKWMAMALAH-AWEZNQCLSA-N 0 0 339.392 3.483 10 5 EGBERN C[C@@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860178422 1329167399 /nfs/dbraw/zinc/16/73/99/1329167399.db2.gz AECSAGBXEOASQZ-BXUZGUMPSA-N 0 0 332.356 3.045 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925228030 1325087969 /nfs/dbraw/zinc/08/79/69/1325087969.db2.gz FTVRPROFHRSVTR-GFCCVEGCSA-N 0 0 341.367 3.437 10 5 EGBERN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000926007231 1325387184 /nfs/dbraw/zinc/38/71/84/1325387184.db2.gz LUWODOYPDFVKKP-QFIPXVFZSA-N 0 0 328.365 3.305 10 5 EGBERN C[S@](=O)(=NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000926025702 1325392810 /nfs/dbraw/zinc/39/28/10/1325392810.db2.gz QLXIQPBWDSGWAH-HSZRJFAPSA-N 0 0 342.392 3.234 10 5 EGBERN C[C@@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000860323265 1329304757 /nfs/dbraw/zinc/30/47/57/1329304757.db2.gz JLYRVZUDVLMQLM-ZETCQYMHSA-N 0 0 332.234 3.368 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000860344747 1329307530 /nfs/dbraw/zinc/30/75/30/1329307530.db2.gz ULTCQJYNIZGKEJ-HUUCEWRRSA-N 0 0 340.379 3.247 10 5 EGBERN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860376480 1329311176 /nfs/dbraw/zinc/31/11/76/1329311176.db2.gz DPXXVWJJZYVBOZ-OCCSQVGLSA-N 0 0 328.368 3.124 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000860717336 1329347669 /nfs/dbraw/zinc/34/76/69/1329347669.db2.gz BBHSFRAANZLNEJ-HNNXBMFYSA-N 0 0 342.351 3.281 10 5 EGBERN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026788 1327826033 /nfs/dbraw/zinc/82/60/33/1327826033.db2.gz GRGVEDQMAXMISM-XNRPHZJLSA-N 0 0 346.456 3.291 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC2(CCC2)O1 ZINC000927156792 1327897219 /nfs/dbraw/zinc/89/72/19/1327897219.db2.gz QRUPSRPQCBBRLM-HNNXBMFYSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927304427 1327964995 /nfs/dbraw/zinc/96/49/95/1327964995.db2.gz CNQBOIYNJLTBLE-ACJLOTCBSA-N 0 0 326.327 3.148 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927394659 1328003832 /nfs/dbraw/zinc/00/38/32/1328003832.db2.gz WOIKJJGEZXBMJZ-VGPLMAKISA-N 0 0 338.404 3.067 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)n1 ZINC000928199619 1328233588 /nfs/dbraw/zinc/23/35/88/1328233588.db2.gz VMUUFQDXHBUWAG-LLVKDONJSA-N 0 0 348.790 3.002 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000928242359 1328251094 /nfs/dbraw/zinc/25/10/94/1328251094.db2.gz ONABADVAZMMBLF-ZDUSSCGKSA-N 0 0 335.404 3.056 10 5 EGBERN Cn1nccc1[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928374178 1328294112 /nfs/dbraw/zinc/29/41/12/1328294112.db2.gz HIMTYZBPLZITLN-CQSZACIVSA-N 0 0 340.339 3.052 10 5 EGBERN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000928389687 1328304388 /nfs/dbraw/zinc/30/43/88/1328304388.db2.gz XFGJCERFHOURCM-CXAGYDPISA-N 0 0 325.368 3.398 10 5 EGBERN Cn1c(C(=O)N(Cc2cccc(F)c2)C2CCC2)ccc1[N+](=O)[O-] ZINC000928667728 1328387543 /nfs/dbraw/zinc/38/75/43/1328387543.db2.gz IQGQNLABSGESAY-UHFFFAOYSA-N 0 0 331.347 3.267 10 5 EGBERN O=C(C[C@@H]1CCCO1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443820 1329418571 /nfs/dbraw/zinc/41/85/71/1329418571.db2.gz GTFGNBHYHIIWOO-AAEUAGOBSA-N 0 0 333.262 3.311 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc([N+](=O)[O-])c1 ZINC000861635528 1329433600 /nfs/dbraw/zinc/43/36/00/1329433600.db2.gz NADODQOWDRSEIM-VIFPVBQESA-N 0 0 331.284 3.003 10 5 EGBERN CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861915231 1329450016 /nfs/dbraw/zinc/45/00/16/1329450016.db2.gz DQIWGFMKHDYEKF-HNNXBMFYSA-N 0 0 341.411 3.304 10 5 EGBERN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]2COC[C@@H]21 ZINC000861938839 1329451861 /nfs/dbraw/zinc/45/18/61/1329451861.db2.gz NYEDHCIRKZRYOC-DLBZAZTESA-N 0 0 340.379 3.245 10 5 EGBERN O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862005134 1329454903 /nfs/dbraw/zinc/45/49/03/1329454903.db2.gz UCVFXDUYVRQOPC-GXTWGEPZSA-N 0 0 328.368 3.029 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(C2(O)CC2)CC1 ZINC000862121182 1329460098 /nfs/dbraw/zinc/46/00/98/1329460098.db2.gz QPWLGJBTTLIJED-UHFFFAOYSA-N 0 0 340.379 3.125 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862121287 1329460233 /nfs/dbraw/zinc/46/02/33/1329460233.db2.gz GPFDMDQPWOZYFT-PXAZEXFGSA-N 0 0 330.384 3.275 10 5 EGBERN CC(C)(CO)[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000862139112 1329461432 /nfs/dbraw/zinc/46/14/32/1329461432.db2.gz NUNVUHCCOLQTSL-QGZVFWFLSA-N 0 0 342.395 3.275 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@](O)(C2CC2)C1 ZINC000862188554 1329464826 /nfs/dbraw/zinc/46/48/26/1329464826.db2.gz NUOSHUNQPPUMER-LJQANCHMSA-N 0 0 340.379 3.125 10 5 EGBERN O=C(NCC1SCCS1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862222585 1329467522 /nfs/dbraw/zinc/46/75/22/1329467522.db2.gz FOPUOULVHDUPOG-UHFFFAOYSA-N 0 0 334.422 3.284 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862394537 1329481872 /nfs/dbraw/zinc/48/18/72/1329481872.db2.gz IJDKHMXUBCXWCM-CYBMUJFWSA-N 0 0 328.368 3.295 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000862392277 1329481925 /nfs/dbraw/zinc/48/19/25/1329481925.db2.gz IIEWTJBRYUOVCP-LLVKDONJSA-N 0 0 326.780 3.103 10 5 EGBERN COCCC1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000862429170 1329485785 /nfs/dbraw/zinc/48/57/85/1329485785.db2.gz CIHGKRVCWWRUNC-YPKPFQOOSA-N 0 0 332.400 3.273 10 5 EGBERN O=C(Nn1cccn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000862768476 1329507790 /nfs/dbraw/zinc/50/77/90/1329507790.db2.gz HFVGPYSSQIRMLG-UHFFFAOYSA-N 0 0 332.385 3.210 10 5 EGBERN Cc1c(C(=O)NCC[C@H]2CC=CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862946620 1329519278 /nfs/dbraw/zinc/51/92/78/1329519278.db2.gz ACOYZWRNONQXJW-LBPRGKRZSA-N 0 0 333.344 3.288 10 5 EGBERN Cc1nn(CN2CCc3c(cccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000863311091 1329545249 /nfs/dbraw/zinc/54/52/49/1329545249.db2.gz ZXFJJWRUAWEVAH-UHFFFAOYSA-N 0 0 340.305 3.134 10 5 EGBERN CC(C)c1ccc(-c2ncc(Cn3ncc([N+](=O)[O-])n3)s2)cc1 ZINC000863375198 1329550342 /nfs/dbraw/zinc/55/03/42/1329550342.db2.gz LJZZJYGOLZUFDI-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN Cc1c(C(=O)N2CCCC3(CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863641919 1329569989 /nfs/dbraw/zinc/56/99/89/1329569989.db2.gz MIMKNROZSVBANY-UHFFFAOYSA-N 0 0 333.344 3.218 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000863813668 1329583437 /nfs/dbraw/zinc/58/34/37/1329583437.db2.gz KAQGITVRVWLICV-NNTXTVRGSA-N 0 0 331.416 3.479 10 5 EGBERN Cc1ccc(-c2cnn(C)c2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000864542989 1329624371 /nfs/dbraw/zinc/62/43/71/1329624371.db2.gz VQXRTMKCHBCNOJ-UHFFFAOYSA-N 0 0 346.387 3.328 10 5 EGBERN C[C@@H]1C[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000864660632 1329635279 /nfs/dbraw/zinc/63/52/79/1329635279.db2.gz GBXBDFGHKAJFLD-NRUUGDAUSA-N 0 0 326.780 3.020 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865152948 1329673445 /nfs/dbraw/zinc/67/34/45/1329673445.db2.gz VRELXKARJYZIQQ-HNNXBMFYSA-N 0 0 344.342 3.143 10 5 EGBERN CC(C)N(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865151373 1329673503 /nfs/dbraw/zinc/67/35/03/1329673503.db2.gz OHPXGWWJUXPIRX-UHFFFAOYSA-N 0 0 341.205 3.299 10 5 EGBERN O=C1[C@@H](Sc2nc3ccc([N+](=O)[O-])cc3s2)CCN1C1CCC1 ZINC000865343033 1329687638 /nfs/dbraw/zinc/68/76/38/1329687638.db2.gz CLAQUGITFNFIAS-LBPRGKRZSA-N 0 0 349.437 3.450 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCSC1 ZINC000865984456 1329756846 /nfs/dbraw/zinc/75/68/46/1329756846.db2.gz HRTAFJZNRUNMAU-NSHDSACASA-N 0 0 337.401 3.107 10 5 EGBERN COC(=O)c1cc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000866122207 1330067525 /nfs/dbraw/zinc/06/75/25/1330067525.db2.gz FGVYUOMEYHRRQU-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](OC4CCC4)CC3)c2c1 ZINC000866146853 1330070502 /nfs/dbraw/zinc/07/05/02/1330070502.db2.gz AJJRTOVYLOTEDY-HNNXBMFYSA-N 0 0 342.399 3.466 10 5 EGBERN COc1cc(NC[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000866180381 1330074311 /nfs/dbraw/zinc/07/43/11/1330074311.db2.gz OMKFQJVZFCVYCK-STQMWFEESA-N 0 0 336.388 3.087 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1c2ccccc2CN1C ZINC000866194310 1330076439 /nfs/dbraw/zinc/07/64/39/1330076439.db2.gz HUULTYHDSQZXJD-GOSISDBHSA-N 0 0 327.384 3.340 10 5 EGBERN Cc1cc(NCc2ccc(CN3CCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000866197568 1330077137 /nfs/dbraw/zinc/07/71/37/1330077137.db2.gz RKQXXFDCXCYYHG-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN COc1cc(N2CC[C@@H]3CSC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000866199227 1330077287 /nfs/dbraw/zinc/07/72/87/1330077287.db2.gz ARIJIHPATPLSHX-ZJUUUORDSA-N 0 0 328.821 3.446 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2c(OC)cccc2[N+](=O)[O-])CCO1 ZINC000866233407 1330081776 /nfs/dbraw/zinc/08/17/76/1330081776.db2.gz MSQSVJCMLRTEKU-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000866234955 1330082349 /nfs/dbraw/zinc/08/23/49/1330082349.db2.gz ZPGSNLBTNAVWGO-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN COc1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC000866248280 1330085109 /nfs/dbraw/zinc/08/51/09/1330085109.db2.gz CVHACQFCUQJPJQ-DYVFJYSZSA-N 0 0 332.331 3.165 10 5 EGBERN COc1ccccc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000866272347 1330088423 /nfs/dbraw/zinc/08/84/23/1330088423.db2.gz NKJKOQNMFLLZAA-ZDUSSCGKSA-N 0 0 328.372 3.168 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866484104 1330117641 /nfs/dbraw/zinc/11/76/41/1330117641.db2.gz QROGTZGNWDQRBW-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN CC(C)(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCO1 ZINC000866499983 1330118967 /nfs/dbraw/zinc/11/89/67/1330118967.db2.gz RIRFVYBRHXXJPN-CQSZACIVSA-N 0 0 340.807 3.460 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000867289466 1330191272 /nfs/dbraw/zinc/19/12/72/1330191272.db2.gz MZGBZFJCGASRAZ-CYBMUJFWSA-N 0 0 349.387 3.235 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000868309007 1330269159 /nfs/dbraw/zinc/26/91/59/1330269159.db2.gz GFNYNSITNAAJBO-YOEHRIQHSA-N 0 0 349.431 3.126 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000868404051 1330277407 /nfs/dbraw/zinc/27/74/07/1330277407.db2.gz JZHHISVAXMVWJP-AFCVYNCWSA-N 0 0 327.384 3.027 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000868744093 1330329921 /nfs/dbraw/zinc/32/99/21/1330329921.db2.gz QBMYWKQWCKULEB-CABCVRRESA-N 0 0 343.786 3.407 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000869052874 1330403169 /nfs/dbraw/zinc/40/31/69/1330403169.db2.gz FXHZJFRCPJPOKV-AWEZNQCLSA-N 0 0 329.356 3.195 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000869420517 1330488116 /nfs/dbraw/zinc/48/81/16/1330488116.db2.gz IJWNFBXGLIOUMX-UHFFFAOYSA-N 0 0 339.189 3.053 10 5 EGBERN Cc1sc(C(=O)NCC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000869574069 1330525697 /nfs/dbraw/zinc/52/56/97/1330525697.db2.gz FSXHAGZFNHBWRW-UHFFFAOYSA-N 0 0 332.381 3.194 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000869720482 1330553479 /nfs/dbraw/zinc/55/34/79/1330553479.db2.gz GNPIEHHGDQNEFM-FLIBITNWSA-N 0 0 342.399 3.100 10 5 EGBERN O=C(OCCC[C@H]1CCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810155 1330568665 /nfs/dbraw/zinc/56/86/65/1330568665.db2.gz FATGKPZGKHMYMX-AWEZNQCLSA-N 0 0 333.384 3.376 10 5 EGBERN CCO[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000869876482 1330580888 /nfs/dbraw/zinc/58/08/88/1330580888.db2.gz CQXOIFFVNXUEDX-BLLLJJGKSA-N 0 0 337.372 3.031 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3scc(C)c32)c1 ZINC001184831474 1387546303 /nfs/dbraw/zinc/54/63/03/1387546303.db2.gz ZMZWNJGSFINUSQ-UHFFFAOYSA-N 0 0 345.336 3.487 10 5 EGBERN COCc1nccc(Oc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC001185366134 1387693271 /nfs/dbraw/zinc/69/32/71/1387693271.db2.gz LEXZACNEDYSKSH-UHFFFAOYSA-N 0 0 340.133 3.086 10 5 EGBERN C[C@@H](c1ccccc1)n1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])n1 ZINC001185756803 1387791319 /nfs/dbraw/zinc/79/13/19/1387791319.db2.gz SPUJMAWEQPCCJU-NSHDSACASA-N 0 0 325.328 3.245 10 5 EGBERN CC1(C)OC[C@H](CCOc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)O1 ZINC001189668295 1367082099 /nfs/dbraw/zinc/08/20/99/1367082099.db2.gz UOQZUBWGPZOLGR-LURJTMIESA-N 0 0 339.241 3.072 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001190045041 1367159228 /nfs/dbraw/zinc/15/92/28/1367159228.db2.gz GMYQPZHXDHNGFG-BXKDBHETSA-N 0 0 344.770 3.461 10 5 EGBERN COC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1C ZINC001186130877 1387875828 /nfs/dbraw/zinc/87/58/28/1387875828.db2.gz IKJWZMAFUNNVMD-WCBMZHEXSA-N 0 0 332.278 3.001 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nc(-c3ccncc3)no2)c2ccccc21 ZINC001186158104 1387885858 /nfs/dbraw/zinc/88/58/58/1387885858.db2.gz ZWLKBJAGJMITHU-UHFFFAOYSA-N 0 0 348.322 3.200 10 5 EGBERN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc21 ZINC001191968159 1367651239 /nfs/dbraw/zinc/65/12/39/1367651239.db2.gz AWVWDHOQHDLHHZ-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@](C)(F)C1 ZINC001186538675 1387967060 /nfs/dbraw/zinc/96/70/60/1387967060.db2.gz AIRKFSAAXQLYHP-AWEZNQCLSA-N 0 0 330.743 3.363 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@]23CCCOC3)c(F)c1 ZINC001198827452 1369123556 /nfs/dbraw/zinc/12/35/56/1369123556.db2.gz CPILPVWQEWQZPY-MRXNPFEDSA-N 0 0 326.343 3.408 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C)CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001186648329 1387993432 /nfs/dbraw/zinc/99/34/32/1387993432.db2.gz XNENHXHMIICRSE-MRXNPFEDSA-N 0 0 342.342 3.431 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H](CO)c2ccc(F)cc2)ccc2cnccc21 ZINC001186705516 1387999067 /nfs/dbraw/zinc/99/90/67/1387999067.db2.gz JNGSCVPIRGWPJQ-CQSZACIVSA-N 0 0 341.342 3.470 10 5 EGBERN Cc1nc(N[C@H](Cc2ccccc2)c2nccn2C)ccc1[N+](=O)[O-] ZINC001186905434 1388027114 /nfs/dbraw/zinc/02/71/14/1388027114.db2.gz FWWALRZLFNEMJT-OAHLLOKOSA-N 0 0 337.383 3.428 10 5 EGBERN CC(=O)N(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC001187073716 1388047222 /nfs/dbraw/zinc/04/72/22/1388047222.db2.gz QAQGBQWEIDPOLZ-UHFFFAOYSA-N 0 0 334.763 3.238 10 5 EGBERN COC(=O)c1coc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)c1 ZINC001187190644 1388067711 /nfs/dbraw/zinc/06/77/11/1388067711.db2.gz SSDZHUZXJODJOM-UHFFFAOYSA-N 0 0 340.719 3.249 10 5 EGBERN C[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001187242895 1388080322 /nfs/dbraw/zinc/08/03/22/1388080322.db2.gz PHQCYTGHMXPAQH-RYUDHWBXSA-N 0 0 336.392 3.190 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001116798844 1370976781 /nfs/dbraw/zinc/97/67/81/1370976781.db2.gz SWQYCKCHRSEQKI-UHFFFAOYSA-N 0 0 329.360 3.252 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC001118190704 1371142604 /nfs/dbraw/zinc/14/26/04/1371142604.db2.gz XHONGMIVQZHPIW-UHFFFAOYSA-N 0 0 335.404 3.246 10 5 EGBERN Cn1ccnc1[C@@H](NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001118430971 1371181421 /nfs/dbraw/zinc/18/14/21/1371181421.db2.gz LDVUBVCMPQNAHJ-UGWHAMFMSA-N 0 0 348.353 3.195 10 5 EGBERN O=C(c1conc1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118993565 1371262806 /nfs/dbraw/zinc/26/28/06/1371262806.db2.gz FLACLMWKUAWIHM-UHFFFAOYSA-N 0 0 341.367 3.439 10 5 EGBERN C[C@](CO)(NC(=O)/C=C/C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119052359 1371271205 /nfs/dbraw/zinc/27/12/05/1371271205.db2.gz IRJUHEXCIINIGE-DOJUMQAQSA-N 0 0 332.400 3.055 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001187558889 1388126052 /nfs/dbraw/zinc/12/60/52/1388126052.db2.gz MBHCANAGUAAXMB-GZMMTYOYSA-N 0 0 349.265 3.415 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001119436345 1371340929 /nfs/dbraw/zinc/34/09/29/1371340929.db2.gz ZUTDSYHZJSLGHE-SGTLLEGYSA-N 0 0 346.383 3.161 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119445945 1371343869 /nfs/dbraw/zinc/34/38/69/1371343869.db2.gz SAENKFUQFROVDJ-CYBMUJFWSA-N 0 0 332.356 3.276 10 5 EGBERN CNC(=O)c1ccc(Nc2ccc(Cl)c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC001187677119 1388140760 /nfs/dbraw/zinc/14/07/60/1388140760.db2.gz JCMDPLUMFPFKDR-UHFFFAOYSA-N 0 0 348.790 3.417 10 5 EGBERN C[C@H]([C@H](OC(=O)C[C@H]1CC(C)(C)CO1)c1ccccc1F)[N+](=O)[O-] ZINC001123120396 1372384142 /nfs/dbraw/zinc/38/41/42/1372384142.db2.gz UEIRDKAQLLRXEE-WQGACYEGSA-N 0 0 339.363 3.280 10 5 EGBERN CN(CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CC(F)F ZINC001123264847 1372410344 /nfs/dbraw/zinc/41/03/44/1372410344.db2.gz WGWJAJYVQVIVOR-UHFFFAOYSA-N 0 0 342.298 3.085 10 5 EGBERN COCCC[C@@H](C)OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001123324145 1372425918 /nfs/dbraw/zinc/42/59/18/1372425918.db2.gz DMOHWQFXTSBFPC-SECBINFHSA-N 0 0 333.287 3.168 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001123347268 1372436291 /nfs/dbraw/zinc/43/62/91/1372436291.db2.gz ZLHURVFHVZEEBI-DOMZBBRYSA-N 0 0 332.356 3.294 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001123416177 1372460969 /nfs/dbraw/zinc/46/09/69/1372460969.db2.gz CUCPDTMIAYIVIT-AWEZNQCLSA-N 0 0 332.404 3.154 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001123487803 1372487783 /nfs/dbraw/zinc/48/77/83/1372487783.db2.gz VAPFURRGOSGTDD-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001124036974 1372662316 /nfs/dbraw/zinc/66/23/16/1372662316.db2.gz UPQUHKFFWIANHC-SMDDNHRTSA-N 0 0 338.791 3.198 10 5 EGBERN COc1cccc(CN(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001124110232 1372674128 /nfs/dbraw/zinc/67/41/28/1372674128.db2.gz LCWCURQEEOVBAA-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001124114320 1372675100 /nfs/dbraw/zinc/67/51/00/1372675100.db2.gz HZZOFHYDHDZNBN-HOTGVXAUSA-N 0 0 340.335 3.124 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124114375 1372675262 /nfs/dbraw/zinc/67/52/62/1372675262.db2.gz JVMFYLAEACCFOX-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCSc2ccccc21 ZINC001124328404 1372692041 /nfs/dbraw/zinc/69/20/41/1372692041.db2.gz ZIYILQILWHIXQB-UHFFFAOYSA-N 0 0 332.356 3.415 10 5 EGBERN CN(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001124341068 1372693094 /nfs/dbraw/zinc/69/30/94/1372693094.db2.gz ZSCPAUHFFYWNJH-HNNXBMFYSA-N 0 0 333.775 3.490 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cn(-c2ccccc2)cn1 ZINC001124396911 1372698218 /nfs/dbraw/zinc/69/82/18/1372698218.db2.gz VMFALVPVGJSBSH-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)n2ccccc2=Nc2ccccc2)n1 ZINC001124635082 1372718529 /nfs/dbraw/zinc/71/85/29/1372718529.db2.gz ZIKOZSNWPWOZNA-UHFFFAOYSA-N 0 0 334.335 3.021 10 5 EGBERN COc1cc(C(=O)Nc2cccnc2Cl)c([N+](=O)[O-])cc1F ZINC001124702353 1372723479 /nfs/dbraw/zinc/72/34/79/1372723479.db2.gz KLXUCSUPGMREPN-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN Cc1cc(N(C)C)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001124990121 1372745750 /nfs/dbraw/zinc/74/57/50/1372745750.db2.gz SWBXSVXUDZLBDM-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC001125182292 1372759214 /nfs/dbraw/zinc/75/92/14/1372759214.db2.gz OPXSQCFKEYJVGA-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN Cc1c(OC(=O)C[C@@H]2CC(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC001125228289 1372761713 /nfs/dbraw/zinc/76/17/13/1372761713.db2.gz HSYAFHDPXBYDTG-LBPRGKRZSA-N 0 0 340.335 3.325 10 5 EGBERN COC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001125249331 1372763655 /nfs/dbraw/zinc/76/36/55/1372763655.db2.gz IPHOOAXXKLLFGW-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(-c3cc4c(s3)CCCCC4)o2)n1 ZINC001326511999 1388225582 /nfs/dbraw/zinc/22/55/82/1388225582.db2.gz WLSFKTORIDKDKK-UHFFFAOYSA-N 0 0 345.384 3.376 10 5 EGBERN CN(CCc1ccccc1F)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125900214 1372884956 /nfs/dbraw/zinc/88/49/56/1372884956.db2.gz CGVDDYYFISAEAG-UHFFFAOYSA-N 0 0 334.322 3.117 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC001126065372 1372925409 /nfs/dbraw/zinc/92/54/09/1372925409.db2.gz GGQNEAWXXGVTDI-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@]2(C)CC=C(C)CC2)cc([N+](=O)[O-])c1 ZINC001126372518 1372961375 /nfs/dbraw/zinc/96/13/75/1372961375.db2.gz GOUVUOYXTJIDDU-QGZVFWFLSA-N 0 0 332.356 3.456 10 5 EGBERN Cc1noc2ncc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)cc12 ZINC001126416758 1372963763 /nfs/dbraw/zinc/96/37/63/1372963763.db2.gz HBLIOGSZYHBJJG-UHFFFAOYSA-N 0 0 330.275 3.139 10 5 EGBERN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H]1C ZINC001126508173 1372970393 /nfs/dbraw/zinc/97/03/93/1372970393.db2.gz VQZYWGMISBGUSX-STQMWFEESA-N 0 0 325.368 3.385 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001126985216 1373063619 /nfs/dbraw/zinc/06/36/19/1373063619.db2.gz DBKFCUAMCWZWMM-CYBMUJFWSA-N 0 0 327.384 3.448 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C2CC2)nn1C ZINC001326560620 1388240921 /nfs/dbraw/zinc/24/09/21/1388240921.db2.gz OLNWMGBORBVESQ-CYBMUJFWSA-N 0 0 342.399 3.413 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCc2cccnc21 ZINC001127586587 1373142814 /nfs/dbraw/zinc/14/28/14/1373142814.db2.gz QOWOFJAKPUYTMW-UHFFFAOYSA-N 0 0 346.346 3.255 10 5 EGBERN CC[C@@H](OC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccc(C)c(F)c1 ZINC001127647288 1373152481 /nfs/dbraw/zinc/15/24/81/1373152481.db2.gz NZSKMKWOQRJGHC-CQSZACIVSA-N 0 0 335.335 3.242 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[S@](C)=O)c1C ZINC001127875767 1373194016 /nfs/dbraw/zinc/19/40/16/1373194016.db2.gz RHSCDMVVYSVAMR-DEOSSOPVSA-N 0 0 346.408 3.342 10 5 EGBERN Cc1cncc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC001127962889 1373204228 /nfs/dbraw/zinc/20/42/28/1373204228.db2.gz QMYDIFFHAQWMJE-QPJJXVBHSA-N 0 0 334.335 3.498 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C\c1ccccn1 ZINC001128408381 1373263647 /nfs/dbraw/zinc/26/36/47/1373263647.db2.gz VFTIOOAYUWKJEU-BENRWUELSA-N 0 0 327.340 3.431 10 5 EGBERN COC(=O)c1ccc(C)c(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001128500449 1373278294 /nfs/dbraw/zinc/27/82/94/1373278294.db2.gz CYNRTHRRWYRSEL-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c2c(ccc1F)OCO2 ZINC001128514937 1373280700 /nfs/dbraw/zinc/28/07/00/1373280700.db2.gz INQOXTPTIYMJBP-UHFFFAOYSA-N 0 0 348.286 3.114 10 5 EGBERN O=C(NCc1c(F)cc(F)c(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001128736823 1373306952 /nfs/dbraw/zinc/30/69/52/1373306952.db2.gz GSTVDOQKCQGTGC-UHFFFAOYSA-N 0 0 346.211 3.220 10 5 EGBERN Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)sc1C(F)(F)F ZINC001128888332 1373320896 /nfs/dbraw/zinc/32/08/96/1373320896.db2.gz OBXAPWNTWKBXPT-UHFFFAOYSA-N 0 0 346.290 3.334 10 5 EGBERN Cc1cc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccn1 ZINC001129074099 1373342948 /nfs/dbraw/zinc/34/29/48/1373342948.db2.gz NOIBMDDPXDBCSG-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN Cc1ccc(COC(=O)[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC001129134788 1373350197 /nfs/dbraw/zinc/35/01/97/1373350197.db2.gz GPOIIJZRSQTSDK-AWEZNQCLSA-N 0 0 345.326 3.337 10 5 EGBERN Cc1cnccc1/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129398812 1373379806 /nfs/dbraw/zinc/37/98/06/1373379806.db2.gz VCHQFDBXIMYDPN-HJWRWDBZSA-N 0 0 325.368 3.363 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)c1cnc2ccccc2n1 ZINC001129478840 1373389242 /nfs/dbraw/zinc/38/92/42/1373389242.db2.gz YQXTZWLHVHJNQG-UHFFFAOYSA-N 0 0 336.351 3.431 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1Cc2ccc(Cl)cc2C1 ZINC001129595240 1373401070 /nfs/dbraw/zinc/40/10/70/1373401070.db2.gz FUZUTUWCDVMYRN-UHFFFAOYSA-N 0 0 342.742 3.281 10 5 EGBERN C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001129612240 1373402625 /nfs/dbraw/zinc/40/26/25/1373402625.db2.gz HFFZPKICRKDCEW-SCLBCKFNSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1ccc(N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(F)c1 ZINC001129857318 1373429850 /nfs/dbraw/zinc/42/98/50/1373429850.db2.gz RRMJNZLFRPQRJK-UHFFFAOYSA-N 0 0 332.331 3.393 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001130175448 1373470025 /nfs/dbraw/zinc/47/00/25/1373470025.db2.gz MQGQKXWTWUNHJZ-CABCVRRESA-N 0 0 334.335 3.280 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001130382616 1373511687 /nfs/dbraw/zinc/51/16/87/1373511687.db2.gz WVGGJBSAUPQYDV-LSDHHAIUSA-N 0 0 334.335 3.280 10 5 EGBERN CO[C@H](C(=O)N1CCCCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC001130837647 1373597409 /nfs/dbraw/zinc/59/74/09/1373597409.db2.gz YWWITKHRNCGYFJ-KRWDZBQOSA-N 0 0 332.400 3.469 10 5 EGBERN CNC(=O)Oc1cccc(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001130932525 1373610490 /nfs/dbraw/zinc/61/04/90/1373610490.db2.gz JCKLZPVSNRWMGQ-UHFFFAOYSA-N 0 0 344.323 3.149 10 5 EGBERN CCCc1nc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)co1 ZINC001130954676 1373614835 /nfs/dbraw/zinc/61/48/35/1373614835.db2.gz HIUBPZIPYQZEIK-UHFFFAOYSA-N 0 0 326.312 3.336 10 5 EGBERN Cc1cncc(/C=C\C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130955061 1373615151 /nfs/dbraw/zinc/61/51/51/1373615151.db2.gz YCUOPOLYWHRKGZ-DJWKRKHSSA-N 0 0 334.335 3.498 10 5 EGBERN CCCn1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC001130957117 1373615775 /nfs/dbraw/zinc/61/57/75/1373615775.db2.gz MHWZRUHBGDDRNW-UHFFFAOYSA-N 0 0 325.328 3.002 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3c(c2)COC(=O)N3)ccc1[N+](=O)[O-] ZINC001131028103 1373627534 /nfs/dbraw/zinc/62/75/34/1373627534.db2.gz STAZDDNAWOQXHH-UHFFFAOYSA-N 0 0 327.296 3.218 10 5 EGBERN CC(C)[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001131281183 1373674481 /nfs/dbraw/zinc/67/44/81/1373674481.db2.gz VAPWZPBCLIRRIF-MRXNPFEDSA-N 0 0 327.384 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn(C)c2ccccc12 ZINC001131338938 1373681778 /nfs/dbraw/zinc/68/17/78/1373681778.db2.gz SGFFILMYLMOSNV-UHFFFAOYSA-N 0 0 337.379 3.367 10 5 EGBERN C[Si](C)(C)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001131349128 1373682118 /nfs/dbraw/zinc/68/21/18/1373682118.db2.gz DJXJFACQOPXAAL-UHFFFAOYSA-N 0 0 342.471 3.113 10 5 EGBERN COc1cc(C(=O)NCc2cc(C)cc(C)c2)cc([N+](=O)[O-])c1C ZINC001131341589 1373682159 /nfs/dbraw/zinc/68/21/59/1373682159.db2.gz SVKFPXGXVJVCPA-UHFFFAOYSA-N 0 0 328.368 3.459 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC001131428916 1373696562 /nfs/dbraw/zinc/69/65/62/1373696562.db2.gz XEQYSBOLMKPFOZ-ZDUSSCGKSA-N 0 0 332.400 3.385 10 5 EGBERN O=C(COc1ccccc1F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131459711 1373702766 /nfs/dbraw/zinc/70/27/66/1373702766.db2.gz TXCULGWLPOIZSH-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(F)c1F ZINC001131700173 1373770454 /nfs/dbraw/zinc/77/04/54/1373770454.db2.gz ZHQXVUCXDHDHIH-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN COCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC001131737248 1373778309 /nfs/dbraw/zinc/77/83/09/1373778309.db2.gz NLJZRRRHMLIMPQ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cn1cccc1-c1nnc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC001326921104 1388350881 /nfs/dbraw/zinc/35/08/81/1388350881.db2.gz VVSQSJUNSIFLJR-UHFFFAOYSA-N 0 0 336.254 3.252 10 5 EGBERN O=C(Oc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001131890947 1375028399 /nfs/dbraw/zinc/02/83/99/1375028399.db2.gz HWGXIPIMCGONHP-JKSUJKDBSA-N 0 0 325.320 3.239 10 5 EGBERN Cc1ccc(CNC(=O)c2nsc3ccccc32)cc1[N+](=O)[O-] ZINC001132420821 1375368103 /nfs/dbraw/zinc/36/81/03/1375368103.db2.gz CJUBRSNDVDMDEE-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1c2c(ccc1F)OCO2 ZINC001132615554 1375485821 /nfs/dbraw/zinc/48/58/21/1375485821.db2.gz WQJZUSTXSBEILS-UHFFFAOYSA-N 0 0 332.287 3.332 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001132740501 1375539214 /nfs/dbraw/zinc/53/92/14/1375539214.db2.gz KEKGXDVJFCZYGO-ZDUSSCGKSA-N 0 0 326.780 3.326 10 5 EGBERN CCOc1cccc(/C=C/C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001132750363 1375545774 /nfs/dbraw/zinc/54/57/74/1375545774.db2.gz IEZIEXPNENDVQS-BQYQJAHWSA-N 0 0 343.339 3.049 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001132825614 1375585492 /nfs/dbraw/zinc/58/54/92/1375585492.db2.gz PRPMMTLRBNMFBK-RYUDHWBXSA-N 0 0 344.298 3.205 10 5 EGBERN O=C(NC[C@@H]1C=CCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001132891398 1375629232 /nfs/dbraw/zinc/62/92/32/1375629232.db2.gz AWYWHKCSNOQNAW-SECBINFHSA-N 0 0 325.162 3.053 10 5 EGBERN Cc1nn(CC(=O)c2ccc(F)c(Cl)c2)c2ncc([N+](=O)[O-])cc12 ZINC001188853594 1388391723 /nfs/dbraw/zinc/39/17/23/1388391723.db2.gz KSTCDBLDWAUPHJ-UHFFFAOYSA-N 0 0 348.721 3.323 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001132960135 1375674148 /nfs/dbraw/zinc/67/41/48/1375674148.db2.gz ORIRLDOWOCHWNP-UHFFFAOYSA-N 0 0 343.673 3.182 10 5 EGBERN CCc1ccc([C@@H](C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001132960279 1375675054 /nfs/dbraw/zinc/67/50/54/1375675054.db2.gz RUFRBYRYYCJLNT-LLVKDONJSA-N 0 0 329.356 3.303 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC001133092801 1375770138 /nfs/dbraw/zinc/77/01/38/1375770138.db2.gz DIVMPTRMISPICP-JDFRZJQESA-N 0 0 332.400 3.406 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC001133337031 1375930070 /nfs/dbraw/zinc/93/00/70/1375930070.db2.gz YXZWARGNKZBQBH-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001133480088 1376033632 /nfs/dbraw/zinc/03/36/32/1376033632.db2.gz NDZOHVNUTZPWGK-XJKSGUPXSA-N 0 0 330.315 3.105 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N(CC(F)F)C2CCC2)cc1[N+](=O)[O-] ZINC001133608855 1376118609 /nfs/dbraw/zinc/11/86/09/1376118609.db2.gz NJICGYFVSVFQRB-UHFFFAOYSA-N 0 0 343.286 3.071 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133705990 1376166776 /nfs/dbraw/zinc/16/67/76/1376166776.db2.gz CEPGIAODJPCXBW-JTQLQIEISA-N 0 0 332.743 3.308 10 5 EGBERN Cc1nccc2c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cccc12 ZINC001134083427 1376359174 /nfs/dbraw/zinc/35/91/74/1376359174.db2.gz KWMQGQWATUCEGJ-UHFFFAOYSA-N 0 0 339.355 3.022 10 5 EGBERN NC(=O)c1cc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001134137545 1376384485 /nfs/dbraw/zinc/38/44/85/1376384485.db2.gz PBRMCHRISJHAKJ-JOCQHMNTSA-N 0 0 345.399 3.239 10 5 EGBERN Cc1cnc2cc(C(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001134502180 1376571918 /nfs/dbraw/zinc/57/19/18/1376571918.db2.gz TXVMACGLPGJLAV-GFCCVEGCSA-N 0 0 338.367 3.084 10 5 EGBERN CC1(C)CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)O1 ZINC001134581103 1376607074 /nfs/dbraw/zinc/60/70/74/1376607074.db2.gz HKGLBCNOICDCDA-CQSZACIVSA-N 0 0 347.415 3.247 10 5 EGBERN COc1cc(OCC(=O)Nc2cncc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC001134666155 1376647030 /nfs/dbraw/zinc/64/70/30/1376647030.db2.gz QWTXCECGOFKYGI-UHFFFAOYSA-N 0 0 345.355 3.139 10 5 EGBERN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cnc1C(F)F ZINC001134887306 1376768687 /nfs/dbraw/zinc/76/86/87/1376768687.db2.gz JNFOLZZMJKRBAP-UHFFFAOYSA-N 0 0 337.282 3.253 10 5 EGBERN Cc1cc(NC(=O)c2ccc(P(C)(C)=O)cc2)cc([N+](=O)[O-])c1 ZINC001134962768 1376813013 /nfs/dbraw/zinc/81/30/13/1376813013.db2.gz GDBXMHGKVRHGTL-UHFFFAOYSA-N 0 0 332.296 3.404 10 5 EGBERN CN(C)c1ncccc1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001135225464 1376986507 /nfs/dbraw/zinc/98/65/07/1376986507.db2.gz CICZCHKSVADHKO-UHFFFAOYSA-N 0 0 336.351 3.461 10 5 EGBERN CCc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001136266614 1377370210 /nfs/dbraw/zinc/37/02/10/1377370210.db2.gz WKSTVCIFBCJAFP-CXAGYDPISA-N 0 0 334.416 3.482 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001136366058 1377383893 /nfs/dbraw/zinc/38/38/93/1377383893.db2.gz UREKZKXNPQNKEP-LLVKDONJSA-N 0 0 334.322 3.163 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nccn1C(C)C ZINC001136401381 1377389391 /nfs/dbraw/zinc/38/93/91/1377389391.db2.gz PREZZILATCFYDG-UHFFFAOYSA-N 0 0 330.388 3.423 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(-c2ncc[nH]2)cc1 ZINC001136458676 1377394905 /nfs/dbraw/zinc/39/49/05/1377394905.db2.gz QCOAOUDHOLMGLI-UHFFFAOYSA-N 0 0 340.314 3.305 10 5 EGBERN CN(C)c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001136462132 1377395757 /nfs/dbraw/zinc/39/57/57/1377395757.db2.gz XXIOCFHAHRRZDZ-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN O=C(c1c[nH]c2cc(=O)ccc-2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280187 1377509534 /nfs/dbraw/zinc/50/95/34/1377509534.db2.gz LRIUNNBBSQWIJN-UHFFFAOYSA-N 0 0 349.346 3.047 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)c1ccccc1Cl ZINC001137391068 1377538317 /nfs/dbraw/zinc/53/83/17/1377538317.db2.gz HGAMZDJBYAHIFO-HNNXBMFYSA-N 0 0 348.786 3.328 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(CCC2)C1 ZINC001137428944 1377546743 /nfs/dbraw/zinc/54/67/43/1377546743.db2.gz CJBSYSXWNVZAFZ-UHFFFAOYSA-N 0 0 329.381 3.344 10 5 EGBERN CO/C(=C\c1ccccc1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001137759838 1377611695 /nfs/dbraw/zinc/61/16/95/1377611695.db2.gz MCVKZYBAFXWMSQ-YBEGLDIGSA-N 0 0 328.324 3.229 10 5 EGBERN CSc1cc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccn1 ZINC001137865494 1377632993 /nfs/dbraw/zinc/63/29/93/1377632993.db2.gz TXNCVWWHVNDUEJ-UHFFFAOYSA-N 0 0 335.360 3.089 10 5 EGBERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001138084501 1377674662 /nfs/dbraw/zinc/67/46/62/1377674662.db2.gz CJYKNZCQWQJYKL-BDJLRTHQSA-N 0 0 340.383 3.016 10 5 EGBERN C[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001139880863 1377970487 /nfs/dbraw/zinc/97/04/87/1377970487.db2.gz WDGRPSVTPLUIOE-VXGBXAGGSA-N 0 0 328.372 3.151 10 5 EGBERN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503243 1378335520 /nfs/dbraw/zinc/33/55/20/1378335520.db2.gz PBTLAEFUXOIKHN-YPMHNXCESA-N 0 0 342.399 3.035 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)n1 ZINC001141644656 1378356809 /nfs/dbraw/zinc/35/68/09/1378356809.db2.gz SYYKAILYZKRXFF-UHFFFAOYSA-N 0 0 343.387 3.280 10 5 EGBERN Nc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001141767601 1378372998 /nfs/dbraw/zinc/37/29/98/1378372998.db2.gz MCWUMRZQIMOAGN-ZIAGYGMSSA-N 0 0 329.331 3.448 10 5 EGBERN C[C@@H](C(=O)NCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001142183452 1378418207 /nfs/dbraw/zinc/41/82/07/1378418207.db2.gz RDYUYAYTNXLMIH-SECBINFHSA-N 0 0 337.738 3.202 10 5 EGBERN CN(C)c1ccccc1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001142609726 1378464052 /nfs/dbraw/zinc/46/40/52/1378464052.db2.gz RPFHUGCGEDXBEZ-UHFFFAOYSA-N 0 0 347.802 3.173 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc2ccccc2[nH]1 ZINC001143377203 1378589951 /nfs/dbraw/zinc/58/99/51/1378589951.db2.gz SEYYIPBXVQBNOX-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN COc1ccccc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001143565985 1378617890 /nfs/dbraw/zinc/61/78/90/1378617890.db2.gz SYZVPLZVSBVYQI-MRXNPFEDSA-N 0 0 341.367 3.163 10 5 EGBERN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001146679826 1378895510 /nfs/dbraw/zinc/89/55/10/1378895510.db2.gz WWRGJPFBODPVQB-ZBFHGGJFSA-N 0 0 334.416 3.303 10 5 EGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCc2ccccc21 ZINC001146988289 1378952556 /nfs/dbraw/zinc/95/25/56/1378952556.db2.gz IGNNZCZKGDHXML-UHFFFAOYSA-N 0 0 339.395 3.153 10 5 EGBERN Nc1ncc(C(=O)NCCCCCCc2ccccc2)cc1[N+](=O)[O-] ZINC001147558730 1379042474 /nfs/dbraw/zinc/04/24/74/1379042474.db2.gz HSMVYTWMZGSEKZ-UHFFFAOYSA-N 0 0 342.399 3.105 10 5 EGBERN CC(C)C1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001148913956 1379298049 /nfs/dbraw/zinc/29/80/49/1379298049.db2.gz YOXMSCPPBKKLGA-UHFFFAOYSA-N 0 0 328.372 3.151 10 5 EGBERN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001149689982 1379429528 /nfs/dbraw/zinc/42/95/28/1379429528.db2.gz OPQDRNMGNIQGLL-NSHDSACASA-N 0 0 330.315 3.125 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c1C(=O)CC2 ZINC001150827666 1379619409 /nfs/dbraw/zinc/61/94/09/1379619409.db2.gz QHKJJBNCLABCOT-UHFFFAOYSA-N 0 0 344.754 3.307 10 5 EGBERN COc1ccc(NC(=O)Cc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC001152086078 1379860530 /nfs/dbraw/zinc/86/05/30/1379860530.db2.gz WTKQZAJYTUDEMS-UHFFFAOYSA-N 0 0 336.731 3.144 10 5 EGBERN O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001153184986 1380031437 /nfs/dbraw/zinc/03/14/37/1380031437.db2.gz IDKZYCKMTPVSHL-CVEARBPZSA-N 0 0 332.306 3.489 10 5 EGBERN O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001153184987 1380031789 /nfs/dbraw/zinc/03/17/89/1380031789.db2.gz IDKZYCKMTPVSHL-HOTGVXAUSA-N 0 0 332.306 3.489 10 5 EGBERN C=C/C=C\CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001153736349 1380120996 /nfs/dbraw/zinc/12/09/96/1380120996.db2.gz GIQGAMMBBYZTBR-ARJAWSKDSA-N 0 0 343.152 3.359 10 5 EGBERN O=C(Nc1ccccc1NC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001154240951 1380237668 /nfs/dbraw/zinc/23/76/68/1380237668.db2.gz MOFGIZJLHLJMNF-UHFFFAOYSA-N 0 0 329.360 3.315 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccc(O)c2ncccc12 ZINC001157938028 1381075563 /nfs/dbraw/zinc/07/55/63/1381075563.db2.gz UGMNOFGRYOQPMM-YHYXMXQVSA-N 0 0 349.346 3.178 10 5 EGBERN Cc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)noc1C(C)(C)C ZINC001287995300 1381472701 /nfs/dbraw/zinc/47/27/01/1381472701.db2.gz HOZDEKGTVDTXHU-UHFFFAOYSA-N 0 0 333.344 3.206 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnc2ccccc2c1C ZINC001288215657 1381731104 /nfs/dbraw/zinc/73/11/04/1381731104.db2.gz CVLZADRYVYWVJD-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CCOC(=O)c1cc(C(=O)Nc2cnc(C)c(C)c2)cc([N+](=O)[O-])c1 ZINC001288322422 1381777507 /nfs/dbraw/zinc/77/75/07/1381777507.db2.gz JLWDTYWZQXEKNN-UHFFFAOYSA-N 0 0 343.339 3.036 10 5 EGBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CCCC2)C1 ZINC001159541663 1381822598 /nfs/dbraw/zinc/82/25/98/1381822598.db2.gz HHGJWCFHJAGUBV-DOTOQJQBSA-N 0 0 332.400 3.057 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001288504013 1381850040 /nfs/dbraw/zinc/85/00/40/1381850040.db2.gz LALGHFVUIVDBRX-KWCYVHTRSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001159959976 1381951231 /nfs/dbraw/zinc/95/12/31/1381951231.db2.gz PNZMDSWQHKANMZ-VIFPVBQESA-N 0 0 331.759 3.422 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CC2CC2)cc1[N+](=O)[O-] ZINC001289168186 1381978539 /nfs/dbraw/zinc/97/85/39/1381978539.db2.gz WTOSKVNBFBCDJC-HNNXBMFYSA-N 0 0 332.400 3.359 10 5 EGBERN O=C(NCc1cccc2c1OCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001289190315 1381979137 /nfs/dbraw/zinc/97/91/37/1381979137.db2.gz TXCKDYCYCWCYMH-UHFFFAOYSA-N 0 0 338.319 3.206 10 5 EGBERN Nc1c(C(=O)Nc2ccc(F)cc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001290101431 1382059837 /nfs/dbraw/zinc/05/98/37/1382059837.db2.gz IIUQPGHRVXKACB-UHFFFAOYSA-N 0 0 327.674 3.361 10 5 EGBERN Nc1ncc(C(=O)Nc2ccc3cccc(Cl)c3n2)cc1[N+](=O)[O-] ZINC001161066381 1382289231 /nfs/dbraw/zinc/28/92/31/1382289231.db2.gz OZGHXICILWNMFN-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN O=C(c1ccc(Cl)[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001293661904 1382328969 /nfs/dbraw/zinc/32/89/69/1382328969.db2.gz XFPUBTGGQWEZMI-CQSZACIVSA-N 0 0 337.788 3.464 10 5 EGBERN CO/C(=C/c1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550186 1382470472 /nfs/dbraw/zinc/47/04/72/1382470472.db2.gz LMBWKNASIIDGFI-WOJGMQOQSA-N 0 0 338.363 3.167 10 5 EGBERN CC(C)OC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC001294624517 1382480777 /nfs/dbraw/zinc/48/07/77/1382480777.db2.gz SUOHXVMOJCGNKJ-UHFFFAOYSA-N 0 0 336.388 3.158 10 5 EGBERN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001294906418 1382521480 /nfs/dbraw/zinc/52/14/80/1382521480.db2.gz ZKUJJJBUJNOFGQ-NSHDSACASA-N 0 0 332.331 3.191 10 5 EGBERN NC(=O)c1cc(N[C@@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC001162020926 1382604046 /nfs/dbraw/zinc/60/40/46/1382604046.db2.gz RJVFPSLODOROEO-CYBMUJFWSA-N 0 0 347.371 3.482 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2ccc3ccnc(Cl)c3c2)c1[N+](=O)[O-] ZINC001162400044 1382748039 /nfs/dbraw/zinc/74/80/39/1382748039.db2.gz CANOSPODQFDZMG-UHFFFAOYSA-N 0 0 345.746 3.334 10 5 EGBERN CCc1cnc(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])s1 ZINC001162652288 1382822008 /nfs/dbraw/zinc/82/20/08/1382822008.db2.gz JCMBKQCZJUPPFI-UHFFFAOYSA-N 0 0 346.387 3.378 10 5 EGBERN Cc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c[nH]c1=O ZINC001295897489 1382859794 /nfs/dbraw/zinc/85/97/94/1382859794.db2.gz GYPCWBOBSQVSJC-UHFFFAOYSA-N 0 0 325.683 3.049 10 5 EGBERN CC(C)OC1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCCC1 ZINC001162755381 1382859969 /nfs/dbraw/zinc/85/99/69/1382859969.db2.gz IJDZKQUSLFESKB-UHFFFAOYSA-N 0 0 335.404 3.234 10 5 EGBERN COc1ccc(-n2cc(CNc3cc(C)sc3[N+](=O)[O-])nn2)cc1 ZINC001162762073 1382861841 /nfs/dbraw/zinc/86/18/41/1382861841.db2.gz BLSHQUYQRGHVSY-UHFFFAOYSA-N 0 0 345.384 3.166 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(C(F)F)o1 ZINC001163354729 1383029620 /nfs/dbraw/zinc/02/96/20/1383029620.db2.gz LSVDLYWUERLDHY-UHFFFAOYSA-N 0 0 332.209 3.334 10 5 EGBERN NC(=O)c1cccc(Sc2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001163419531 1383048397 /nfs/dbraw/zinc/04/83/97/1383048397.db2.gz LOKZXYVESUBZMO-UHFFFAOYSA-N 0 0 325.349 3.393 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCCC[C@H]3F)c2c1 ZINC001163494989 1383064757 /nfs/dbraw/zinc/06/47/57/1383064757.db2.gz SQAPKFBKRULCCI-DGCLKSJQSA-N 0 0 334.307 3.166 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC(C)(C)OCC2CC2)c([N+](=O)[O-])c1 ZINC001163511381 1383069818 /nfs/dbraw/zinc/06/98/18/1383069818.db2.gz BCYDKBZOJZPHKY-CLFYSBASSA-N 0 0 348.399 3.398 10 5 EGBERN CN(CCCN(C)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001163512953 1383070757 /nfs/dbraw/zinc/07/07/57/1383070757.db2.gz WVQFRUWFNJSKDC-UHFFFAOYSA-N 0 0 341.383 3.427 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001296991512 1383102806 /nfs/dbraw/zinc/10/28/06/1383102806.db2.gz VSVUVADUTQLTJW-VNQPRFMTSA-N 0 0 334.416 3.002 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001163802144 1383123373 /nfs/dbraw/zinc/12/33/73/1383123373.db2.gz PIGPNCOVNBUPIH-UHFFFAOYSA-N 0 0 336.779 3.300 10 5 EGBERN Cc1cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])ccc1Cl ZINC001163916202 1383135320 /nfs/dbraw/zinc/13/53/20/1383135320.db2.gz LIZCEFICXMHSBH-UHFFFAOYSA-N 0 0 348.742 3.387 10 5 EGBERN CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccccc1 ZINC001164086605 1383154541 /nfs/dbraw/zinc/15/45/41/1383154541.db2.gz ZOPQBHBJPVVRMO-RDJZCZTQSA-N 0 0 338.367 3.462 10 5 EGBERN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001164092721 1383155580 /nfs/dbraw/zinc/15/55/80/1383155580.db2.gz HSNXOABKUQDNPA-XYYAHUGASA-N 0 0 333.388 3.120 10 5 EGBERN COc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(C)c1OC ZINC001164195984 1383164970 /nfs/dbraw/zinc/16/49/70/1383164970.db2.gz VVEYQMBQKKYIEF-UHFFFAOYSA-N 0 0 347.327 3.441 10 5 EGBERN CC(C)Oc1nc(N[C@H]2c3ccccc3CC[C@H]2O)ccc1[N+](=O)[O-] ZINC001164221163 1383167593 /nfs/dbraw/zinc/16/75/93/1383167593.db2.gz VKNDPUBVQBCTIJ-WBVHZDCISA-N 0 0 343.383 3.237 10 5 EGBERN C[C@@H](CC(N)=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001164248532 1383171238 /nfs/dbraw/zinc/17/12/38/1383171238.db2.gz CNYIXXQNXTWETD-VIFPVBQESA-N 0 0 345.384 3.027 10 5 EGBERN CCOC(=O)[C@@H]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001164265205 1383172798 /nfs/dbraw/zinc/17/27/98/1383172798.db2.gz PRBWSLQSOOXHIH-SNVBAGLBSA-N 0 0 349.774 3.186 10 5 EGBERN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC001164270327 1383173592 /nfs/dbraw/zinc/17/35/92/1383173592.db2.gz FPKMKDXVQZNTGP-QGZVFWFLSA-N 0 0 335.404 3.328 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1cccc3c1OCCO3)CCCC2 ZINC001164318657 1383177343 /nfs/dbraw/zinc/17/73/43/1383177343.db2.gz VZLCPCGFGZUPGL-UHFFFAOYSA-N 0 0 341.367 3.252 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c(F)nccc1Cl ZINC001297648534 1383206934 /nfs/dbraw/zinc/20/69/34/1383206934.db2.gz YCPVEFGBFOQWOK-UHFFFAOYSA-N 0 0 337.738 3.097 10 5 EGBERN CC(=O)c1ccc(OCC(=O)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001165896607 1383360666 /nfs/dbraw/zinc/36/06/66/1383360666.db2.gz GVXMPWZBQNBXIE-UHFFFAOYSA-N 0 0 335.262 3.337 10 5 EGBERN O=[N+]([O-])c1cn(Cc2cccc(F)c2F)nc1-c1ccc(F)cn1 ZINC001166240981 1383406225 /nfs/dbraw/zinc/40/62/25/1383406225.db2.gz YHMUDBHJIHJYAY-UHFFFAOYSA-N 0 0 334.257 3.319 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCc2nc(-c3ccsc3)no2)c1 ZINC001166406940 1383419250 /nfs/dbraw/zinc/41/92/50/1383419250.db2.gz WBEVKPOEGQBCNT-UHFFFAOYSA-N 0 0 333.325 3.294 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCC2 ZINC001166808517 1383480267 /nfs/dbraw/zinc/48/02/67/1383480267.db2.gz ZHVZWCOPGIFSQG-HUUCEWRRSA-N 0 0 347.415 3.033 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)cc([N+](=O)[O-])c1 ZINC001299233595 1383490720 /nfs/dbraw/zinc/49/07/20/1383490720.db2.gz VOHIVABIDVBNBJ-QHCPKHFHSA-N 0 0 333.369 3.191 10 5 EGBERN Cc1cc(F)c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(F)c1 ZINC001299933816 1383636166 /nfs/dbraw/zinc/63/61/66/1383636166.db2.gz WMTVWKLCNBWTNR-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC2CCC1CC2 ZINC001300206593 1383651842 /nfs/dbraw/zinc/65/18/42/1383651842.db2.gz LUVWORGPFJZBGQ-HBIQZDMRSA-N 0 0 335.379 3.261 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1C(C)C ZINC001302332143 1383748468 /nfs/dbraw/zinc/74/84/68/1383748468.db2.gz LTNWGXITSVYGJW-UONOGXRCSA-N 0 0 331.376 3.068 10 5 EGBERN O=C(/C=C\C1CCCC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529480 1383802844 /nfs/dbraw/zinc/80/28/44/1383802844.db2.gz QWSXHOWAGFAQJR-YFHOEESVSA-N 0 0 342.399 3.266 10 5 EGBERN C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC(C)(C)C1 ZINC001306833322 1383908301 /nfs/dbraw/zinc/90/83/01/1383908301.db2.gz BNXIEYJQUBRXBJ-RYUDHWBXSA-N 0 0 335.404 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)n1 ZINC001306837862 1383909543 /nfs/dbraw/zinc/90/95/43/1383909543.db2.gz VUZAQNLRWAMJRI-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN CCc1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c(C)nn1 ZINC001306862331 1383911969 /nfs/dbraw/zinc/91/19/69/1383911969.db2.gz IBGWUWKVOYCLDY-UHFFFAOYSA-N 0 0 337.339 3.056 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc2c[nH]ccc-2n1 ZINC001306862481 1383912286 /nfs/dbraw/zinc/91/22/86/1383912286.db2.gz LOQOZIUXSDZMMK-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN CC(C)Oc1nc(N[C@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001306959837 1383926441 /nfs/dbraw/zinc/92/64/41/1383926441.db2.gz KLTRRRGNRYRQTO-UKRRQHHQSA-N 0 0 345.399 3.354 10 5 EGBERN COC(=O)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC001306963014 1383927167 /nfs/dbraw/zinc/92/71/67/1383927167.db2.gz XKFRHJWGFTXIGN-CQSZACIVSA-N 0 0 346.358 3.486 10 5 EGBERN C[C@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H](C)S1 ZINC001306984285 1383930026 /nfs/dbraw/zinc/93/00/26/1383930026.db2.gz OAQKSOMABNOMLX-UWVGGRQHSA-N 0 0 348.384 3.381 10 5 EGBERN CO[C@@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1(C)C ZINC001306988084 1383930227 /nfs/dbraw/zinc/93/02/27/1383930227.db2.gz KZIIXSPHPFQJPZ-NWDGAFQWSA-N 0 0 336.779 3.417 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC(n2ccnc2)C1 ZINC001306992129 1383931008 /nfs/dbraw/zinc/93/10/08/1383931008.db2.gz UUJYVYMPHUYAAT-UHFFFAOYSA-N 0 0 329.747 3.054 10 5 EGBERN C[C@@H](Cc1c(Cl)cccc1Cl)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001307084101 1383938078 /nfs/dbraw/zinc/93/80/78/1383938078.db2.gz PHIHPDPKDNPKEX-ZETCQYMHSA-N 0 0 342.186 3.317 10 5 EGBERN Cc1cc2nc(Cl)cc(NCCc3cccc([N+](=O)[O-])c3)n2n1 ZINC001307085617 1383938335 /nfs/dbraw/zinc/93/83/35/1383938335.db2.gz KHIDZTJXHZALGN-UHFFFAOYSA-N 0 0 331.763 3.254 10 5 EGBERN COC(=O)c1ccc(Oc2cc(CC(C)C)ncn2)cc1[N+](=O)[O-] ZINC001307089825 1383938900 /nfs/dbraw/zinc/93/89/00/1383938900.db2.gz ZPZXIDXBLJBXAI-UHFFFAOYSA-N 0 0 331.328 3.162 10 5 EGBERN C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001307150594 1383946230 /nfs/dbraw/zinc/94/62/30/1383946230.db2.gz MFKCJCAEBJZVAA-QWRGUYRKSA-N 0 0 326.418 3.460 10 5 EGBERN COC1(C(F)(F)F)CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001307217090 1383958430 /nfs/dbraw/zinc/95/84/30/1383958430.db2.gz GDKUFCXOCKJVPM-UHFFFAOYSA-N 0 0 344.211 3.381 10 5 EGBERN COC(=O)c1ccc2c(c1)OCCN(c1ccc(C)cc1[N+](=O)[O-])C2 ZINC001307230345 1383962128 /nfs/dbraw/zinc/96/21/28/1383962128.db2.gz SUIRXVVNXFNTBU-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN CCOc1ccc2[nH]c(SCCn3c(C)ncc3[N+](=O)[O-])nc2c1 ZINC001307259507 1383964913 /nfs/dbraw/zinc/96/49/13/1383964913.db2.gz RDLNEUHFDXLUHM-UHFFFAOYSA-N 0 0 347.400 3.167 10 5 EGBERN CCN(CC)C(=O)OCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001307292135 1383967683 /nfs/dbraw/zinc/96/76/83/1383967683.db2.gz CVGCARJGRFGSEZ-UHFFFAOYSA-N 0 0 336.266 3.428 10 5 EGBERN CC(=O)c1sccc1OCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307331467 1383972727 /nfs/dbraw/zinc/97/27/27/1383972727.db2.gz UEMNADIOYDGHFD-UHFFFAOYSA-N 0 0 345.336 3.488 10 5 EGBERN Cc1cc(CSCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC001307406667 1383983803 /nfs/dbraw/zinc/98/38/03/1383983803.db2.gz IGVLJOXKVRCBHF-UHFFFAOYSA-N 0 0 341.776 3.417 10 5 EGBERN CCc1cccc2c1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC001307554047 1384002233 /nfs/dbraw/zinc/00/22/33/1384002233.db2.gz ZXQVWDYGQTWIFQ-UHFFFAOYSA-N 0 0 339.395 3.467 10 5 EGBERN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001307734994 1384021279 /nfs/dbraw/zinc/02/12/79/1384021279.db2.gz CLNGTXSDYABOPL-UHFFFAOYSA-N 0 0 330.340 3.114 10 5 EGBERN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926371 1384058697 /nfs/dbraw/zinc/05/86/97/1384058697.db2.gz RZMOIXKVZUEQCJ-ZDUSSCGKSA-N 0 0 338.404 3.026 10 5 EGBERN C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC001169033224 1384094336 /nfs/dbraw/zinc/09/43/36/1384094336.db2.gz QYIPXQBDWVXVCJ-SNVBAGLBSA-N 0 0 331.763 3.142 10 5 EGBERN CC[C@](C)(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001170859407 1384400150 /nfs/dbraw/zinc/40/01/50/1384400150.db2.gz UPGGHSOMNZWSNS-KRWDZBQOSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1noc([C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001313278958 1384407115 /nfs/dbraw/zinc/40/71/15/1384407115.db2.gz BEUIVDXLKHHUMF-QMTHXVAHSA-N 0 0 347.375 3.044 10 5 EGBERN O=C(NC[C@H]1C[C@@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001313421211 1384417106 /nfs/dbraw/zinc/41/71/06/1384417106.db2.gz FZKYAJKBFXUEIW-CRAIPNDOSA-N 0 0 343.427 3.489 10 5 EGBERN CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)OC(C)(C)C ZINC001171921379 1384682981 /nfs/dbraw/zinc/68/29/81/1384682981.db2.gz UUBYSYDTPVWYDG-JTQLQIEISA-N 0 0 344.358 3.425 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001175512819 1385317043 /nfs/dbraw/zinc/31/70/43/1385317043.db2.gz NLSSQJWRVDOYKD-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001176489224 1385603308 /nfs/dbraw/zinc/60/33/08/1385603308.db2.gz XSHPXHKCEGHLOR-IGJVIKARSA-N 0 0 326.356 3.216 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cnc(-c3ccccc3)s2)c1=O ZINC001319278384 1386039488 /nfs/dbraw/zinc/03/94/88/1386039488.db2.gz OILLKLAMUJYZMH-UHFFFAOYSA-N 0 0 327.365 3.237 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ncn(C)c2c1 ZINC001178835921 1386323412 /nfs/dbraw/zinc/32/34/12/1386323412.db2.gz GMMVDSHOSUZJQP-UHFFFAOYSA-N 0 0 342.380 3.456 10 5 EGBERN Cc1ccc(NC(=O)[C@@H](O)C2CCCCCCC2)c(N)c1[N+](=O)[O-] ZINC001179879281 1386615917 /nfs/dbraw/zinc/61/59/17/1386615917.db2.gz ILGDPEVZHNMCQQ-INIZCTEOSA-N 0 0 335.404 3.145 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@H](O)C2(CC2)C1 ZINC001320578690 1386656515 /nfs/dbraw/zinc/65/65/15/1386656515.db2.gz DAFWNSZKSYQJGF-NSHDSACASA-N 0 0 336.697 3.228 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NN2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001181814788 1387059837 /nfs/dbraw/zinc/05/98/37/1387059837.db2.gz VTLDNKCMVWYDAY-OKILXGFUSA-N 0 0 331.416 3.269 10 5 EGBERN Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001329563773 1389158855 /nfs/dbraw/zinc/15/88/55/1389158855.db2.gz CNRGZDNKLWTEDQ-LSDHHAIUSA-N 0 0 346.362 3.006 10 5 EGBERN O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329580485 1389166057 /nfs/dbraw/zinc/16/60/57/1389166057.db2.gz ANTCJSKRARPOEJ-UBSAEIQESA-N 0 0 336.338 3.176 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC001336870441 1389192095 /nfs/dbraw/zinc/19/20/95/1389192095.db2.gz ROBACJOUCWXQHD-TZMCWYRMSA-N 0 0 340.807 3.226 10 5 EGBERN O=C(c1cnn(CC2CCCC2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329747778 1389216774 /nfs/dbraw/zinc/21/67/74/1389216774.db2.gz CIYRALWUYJBVIT-UHFFFAOYSA-N 0 0 340.383 3.138 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)C[C@H]2CCC2(F)F)c1 ZINC001329763994 1389221955 /nfs/dbraw/zinc/22/19/55/1389221955.db2.gz ZJPYOYBALWQBGT-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001330232536 1389354577 /nfs/dbraw/zinc/35/45/77/1389354577.db2.gz PTESNEAFYVPCRO-BNOWGMLFSA-N 0 0 343.339 3.124 10 5 EGBERN Cc1cc(C)c(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1 ZINC001330305804 1389383540 /nfs/dbraw/zinc/38/35/40/1389383540.db2.gz GWWXGJVDMODUBC-UHFFFAOYSA-N 0 0 345.424 3.447 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC001330631628 1389477211 /nfs/dbraw/zinc/47/72/11/1389477211.db2.gz NQOMEFDAXCEOKW-ROUUACIJSA-N 0 0 340.379 3.241 10 5 EGBERN CO[C@H](COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC001333227555 1390268733 /nfs/dbraw/zinc/26/87/33/1390268733.db2.gz KMQFPMDGTRMZOA-CQSZACIVSA-N 0 0 345.754 3.288 10 5 EGBERN C[C@@H]1CCc2nc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cn2C1 ZINC001334859570 1390606392 /nfs/dbraw/zinc/60/63/92/1390606392.db2.gz XYROMMQZRSGVLC-GFCCVEGCSA-N 0 0 342.399 3.039 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCC(C)(F)F ZINC001344125993 1390757662 /nfs/dbraw/zinc/75/76/62/1390757662.db2.gz XHFBSUGFUNUZBB-UHFFFAOYSA-N 0 0 347.274 3.137 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCc2sc(C)nc2C)c1 ZINC001344356140 1390786424 /nfs/dbraw/zinc/78/64/24/1390786424.db2.gz KAKKBNVQTGTSKG-UHFFFAOYSA-N 0 0 336.369 3.076 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001344735442 1390812330 /nfs/dbraw/zinc/81/23/30/1390812330.db2.gz NMQJNXSFXLLAFA-OCCSQVGLSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@H](C(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC001344874879 1390821009 /nfs/dbraw/zinc/82/10/09/1390821009.db2.gz ICFGSSMBDZQNQW-LBPRGKRZSA-N 0 0 347.293 3.088 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[C@]12CCOC2 ZINC001345144224 1390841099 /nfs/dbraw/zinc/84/10/99/1390841099.db2.gz RFKVFWKVZSDLDV-MKBNYLNASA-N 0 0 337.397 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001345289855 1390853479 /nfs/dbraw/zinc/85/34/79/1390853479.db2.gz ADHMQQHHXNIWKO-HIFRSBDPSA-N 0 0 333.388 3.244 10 5 EGBERN CCc1ccc(C(=O)OC[C@@]23CCC[C@@]2(OC)OCC3)cc1[N+](=O)[O-] ZINC001345629980 1390870268 /nfs/dbraw/zinc/87/02/68/1390870268.db2.gz FEIXLKGDSMQSIM-ZWKOTPCHSA-N 0 0 349.383 3.247 10 5 EGBERN CO[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[C@H]1C ZINC001347231039 1391034268 /nfs/dbraw/zinc/03/42/68/1391034268.db2.gz JWQJHMAXCKUDQP-NOZJJQNGSA-N 0 0 336.779 3.053 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001347523681 1391087548 /nfs/dbraw/zinc/08/75/48/1391087548.db2.gz ZBTZIHHDZXVZEY-IEBDPFPHSA-N 0 0 341.314 3.159 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1C ZINC001348438614 1391219185 /nfs/dbraw/zinc/21/91/85/1391219185.db2.gz NNTNALMYXITYGC-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)n1 ZINC001348496908 1391229457 /nfs/dbraw/zinc/22/94/57/1391229457.db2.gz KNWCAFCMUQMZON-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@H]1CCc2cccnc21 ZINC001348989000 1391293091 /nfs/dbraw/zinc/29/30/91/1391293091.db2.gz BNQATHBAYIIDOR-CQSZACIVSA-N 0 0 344.342 3.335 10 5 EGBERN Cc1nc(NCC[C@H]2CSc3ccccc3O2)ncc1[N+](=O)[O-] ZINC001349069588 1391300274 /nfs/dbraw/zinc/30/02/74/1391300274.db2.gz VQDYXQVVZOKMAY-NSHDSACASA-N 0 0 332.385 3.049 10 5 EGBERN Cc1cc(O)ccc1CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001349494753 1391335463 /nfs/dbraw/zinc/33/54/63/1391335463.db2.gz KZZZCTVFYCIRJD-ZDUSSCGKSA-N 0 0 328.368 3.071 10 5 EGBERN C[C@H]1Cc2cc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)ccc2O1 ZINC001349535604 1391338586 /nfs/dbraw/zinc/33/85/86/1391338586.db2.gz CQDYYXMWJQJJNH-QMMMGPOBSA-N 0 0 334.278 3.449 10 5 EGBERN COc1cccc(COC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001349620851 1391345864 /nfs/dbraw/zinc/34/58/64/1391345864.db2.gz GNPIWJZLRNLZMV-IAGOWNOFSA-N 0 0 327.336 3.450 10 5 EGBERN COc1ccc(NC(=O)c2cc(C)cc(OC)c2C)c([N+](=O)[O-])c1 ZINC001349952153 1391390039 /nfs/dbraw/zinc/39/00/39/1391390039.db2.gz WSPVEGMHECBINL-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2c1nc(C)cc2C ZINC001349951475 1391390163 /nfs/dbraw/zinc/39/01/63/1391390163.db2.gz OJQJZIUVLVHNQZ-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001350261923 1391437932 /nfs/dbraw/zinc/43/79/32/1391437932.db2.gz CJXLWDYWDQGSBJ-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(OC(F)F)CC2)c1C ZINC001350300103 1391443642 /nfs/dbraw/zinc/44/36/42/1391443642.db2.gz WLQONJHETJDQJO-UHFFFAOYSA-N 0 0 342.342 3.492 10 5 EGBERN COc1ccc(C(=O)OC[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001350344536 1391451087 /nfs/dbraw/zinc/45/10/87/1391451087.db2.gz MXZZKGZNTXAHBP-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN CC(C)(NC(=O)NC[C@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001350988095 1391574565 /nfs/dbraw/zinc/57/45/65/1391574565.db2.gz PXXQLOJOYJIBGU-KRWDZBQOSA-N 0 0 335.404 3.088 10 5 EGBERN C[C@@H](COCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC001351328555 1391627513 /nfs/dbraw/zinc/62/75/13/1391627513.db2.gz OQFKBFHHBMITLA-LBPRGKRZSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001351388932 1391635577 /nfs/dbraw/zinc/63/55/77/1391635577.db2.gz PKBFLZFISPFMCK-QWHCGFSZSA-N 0 0 334.372 3.210 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(C)c1 ZINC001352101045 1391759882 /nfs/dbraw/zinc/75/98/82/1391759882.db2.gz WHGHYQIUXRXVCB-UHFFFAOYSA-N 0 0 346.408 3.434 10 5 EGBERN O=C(OCc1nnc(-c2ccccc2)o1)c1c(F)cccc1[N+](=O)[O-] ZINC001352121575 1391761754 /nfs/dbraw/zinc/76/17/54/1391761754.db2.gz WRHNVFRCCVALDT-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C)cc1 ZINC001352231464 1391774961 /nfs/dbraw/zinc/77/49/61/1391774961.db2.gz GZBLUSKIBIURKX-UHFFFAOYSA-N 0 0 346.408 3.434 10 5 EGBERN C[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC001352634087 1391827117 /nfs/dbraw/zinc/82/71/17/1391827117.db2.gz BWRHPBOAOSMYJR-SSDOTTSWSA-N 0 0 346.240 3.149 10 5 EGBERN Cc1ccc(NC(=O)c2csc(-c3ncc[nH]3)n2)cc1[N+](=O)[O-] ZINC001352703569 1391834421 /nfs/dbraw/zinc/83/44/21/1391834421.db2.gz MFOABDZQBPAWHO-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN COc1cc(F)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001353163746 1391947903 /nfs/dbraw/zinc/94/79/03/1391947903.db2.gz YEOHTFAUZRSXTJ-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C(=O)c1ccc(F)cc1 ZINC001353544435 1392035961 /nfs/dbraw/zinc/03/59/61/1392035961.db2.gz BMGXPGYRGQPFGC-UHFFFAOYSA-N 0 0 337.690 3.484 10 5 EGBERN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001354016720 1392115504 /nfs/dbraw/zinc/11/55/04/1392115504.db2.gz AFQVFTWLWWKJQS-CDMJZVDBSA-N 0 0 337.395 3.354 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Oc1ccc2c(c1)OCCO2 ZINC001354022239 1392115728 /nfs/dbraw/zinc/11/57/28/1392115728.db2.gz JNYXVDHXQHRKMB-UHFFFAOYSA-N 0 0 333.271 3.033 10 5 EGBERN COCCOc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001354802347 1392170276 /nfs/dbraw/zinc/17/02/76/1392170276.db2.gz PNRQCPGTQKZKHN-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN CC(C)C(=O)NCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001495504756 1396540625 /nfs/dbraw/zinc/54/06/25/1396540625.db2.gz NHZOFWODIYQVOZ-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CN(CCNC(=O)C1CCC2(CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690962820 1404869725 /nfs/dbraw/zinc/86/97/25/1404869725.db2.gz AQXIRWNBGSQZLM-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001695344179 1406091201 /nfs/dbraw/zinc/09/12/01/1406091201.db2.gz QOXIECXRIPAOAS-OLZOCXBDSA-N 0 0 329.404 3.498 10 5 EGBERN CN(CCN(C)C(=O)CC1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001732581266 1428788337 /nfs/dbraw/zinc/78/83/37/1428788337.db2.gz VKJJBQHONYVVPW-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN CCCn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1C(C)(C)C ZINC001709757451 1417452836 /nfs/dbraw/zinc/45/28/36/1417452836.db2.gz XZNVVWAHFJVPBP-UHFFFAOYSA-N 0 0 343.431 3.457 10 5 EGBERN O=C(NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC001714662163 1419448299 /nfs/dbraw/zinc/44/82/99/1419448299.db2.gz FGKJSRGONZIMRK-UHFFFAOYSA-N 0 0 345.424 3.051 10 5 EGBERN Cc1ccc(C)c(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001714789974 1419510132 /nfs/dbraw/zinc/51/01/32/1419510132.db2.gz YURRJOUGIRVSJB-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CN(C(=O)CC1(C)CCCC1)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001733303371 1429488689 /nfs/dbraw/zinc/48/86/89/1429488689.db2.gz PZVGSVPWEVGFBI-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN CN(CCCNC(=O)C1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001731239564 1427196891 /nfs/dbraw/zinc/19/68/91/1427196891.db2.gz XYFREXGLIACYJB-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CN(CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001731796786 1427950700 /nfs/dbraw/zinc/95/07/00/1427950700.db2.gz QMMDDSXNSAMKTR-UHFFFAOYSA-N 0 0 347.459 3.215 10 5 EGBERN CN(CCCN(C)C(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001733772745 1430008841 /nfs/dbraw/zinc/00/88/41/1430008841.db2.gz XDMFGZGHXLBINR-UHFFFAOYSA-N 0 0 337.445 3.047 10 5 EGBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C ZINC001743018114 1439535362 /nfs/dbraw/zinc/53/53/62/1439535362.db2.gz STIOQHCRQNSPGT-TYNCELHUSA-N 0 0 327.388 3.423 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1[C@@H]1C[C@H]1C ZINC001762888030 1441379391 /nfs/dbraw/zinc/37/93/91/1441379391.db2.gz YIBCHMSKWCNSGT-IUODEOHRSA-N 0 0 329.404 3.009 10 5 EGBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001762965424 1441380767 /nfs/dbraw/zinc/38/07/67/1441380767.db2.gz DXSQBJWWRIVHNY-LALPHHSUSA-N 0 0 327.388 3.280 10 5 EGBERN Cc1ccc(C[NH2+][C@@H](Cc2c(C)cccc2C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000904069495 1126132830 /nfs/dbraw/zinc/13/28/30/1126132830.db2.gz LTCDYASEJIXFRH-KRWDZBQOSA-N 0 0 342.395 3.306 10 5 EGBERN Cc1ncsc1-c1nc(CNc2c(C)c([N+](=O)[O-])ccc2F)no1 ZINC000368528026 168367762 /nfs/dbraw/zinc/36/77/62/168367762.db2.gz NHBNDZMFJGNNSG-UHFFFAOYSA-N 0 0 349.347 3.469 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000359706047 290627409 /nfs/dbraw/zinc/62/74/09/290627409.db2.gz KWRMZGYYYUZKIO-GXSJLCMTSA-N 0 0 345.321 3.122 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000348910910 282265380 /nfs/dbraw/zinc/26/53/80/282265380.db2.gz XEZCFHNUPDKTJQ-GHMZBOCLSA-N 0 0 342.399 3.026 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000152226048 290783553 /nfs/dbraw/zinc/78/35/53/290783553.db2.gz HQLHFRAEYCGROW-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066713447 215072331 /nfs/dbraw/zinc/07/23/31/215072331.db2.gz MBVIPHCLHJEESP-DGCLKSJQSA-N 0 0 332.381 3.259 10 5 EGBERN COc1cc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000003253959 209988714 /nfs/dbraw/zinc/98/87/14/209988714.db2.gz UBBKUQLROSLPTQ-WEVVVXLNSA-N 0 0 329.308 3.066 10 5 EGBERN COCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040656950 213364772 /nfs/dbraw/zinc/36/47/72/213364772.db2.gz UXWWYWADAHSDNJ-UHFFFAOYSA-N 0 0 338.751 3.197 10 5 EGBERN Cc1cc(C)n(-c2ncnc(NCCC3=CCCCC3)c2[N+](=O)[O-])n1 ZINC000040622468 213358987 /nfs/dbraw/zinc/35/89/87/213358987.db2.gz HCGGYOUSNYHZJM-UHFFFAOYSA-N 0 0 342.403 3.490 10 5 EGBERN CCCNc1ncnc(Nc2ccccc2C(=O)OCC)c1[N+](=O)[O-] ZINC000040597215 213356291 /nfs/dbraw/zinc/35/62/91/213356291.db2.gz QHANUBBWVRUYKE-UHFFFAOYSA-N 0 0 345.359 3.127 10 5 EGBERN C[C@@H](c1ccccn1)N(C(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000069351569 215386373 /nfs/dbraw/zinc/38/63/73/215386373.db2.gz HOJYVJBPOJKRED-NSHDSACASA-N 0 0 329.331 3.495 10 5 EGBERN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnn1-c1ccccc1 ZINC000040179141 213279885 /nfs/dbraw/zinc/27/98/85/213279885.db2.gz GTHZUOQGEOQROQ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000183348389 235021029 /nfs/dbraw/zinc/02/10/29/235021029.db2.gz FTKANXIYYAYFAN-MRXNPFEDSA-N 0 0 340.427 3.177 10 5 EGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2Cl)c(Cl)c1 ZINC000037981190 213181252 /nfs/dbraw/zinc/18/12/52/213181252.db2.gz NUNFUFDAKZOWFG-UHFFFAOYSA-N 0 0 348.167 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000037975697 213179197 /nfs/dbraw/zinc/17/91/97/213179197.db2.gz LRNXGEBJMRUFHU-UHFFFAOYSA-N 0 0 348.167 3.097 10 5 EGBERN Cc1cnc(COC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1[N+](=O)[O-] ZINC000191380165 239077076 /nfs/dbraw/zinc/07/70/76/239077076.db2.gz SHSPMWCONHOHCS-UHFFFAOYSA-N 0 0 345.311 3.180 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000191382074 239080555 /nfs/dbraw/zinc/08/05/55/239080555.db2.gz WQZJRDGFUJDLAS-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN CC(=O)N1N=C(c2ccccc2)O[C@@]1(C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000021090549 212204549 /nfs/dbraw/zinc/20/45/49/212204549.db2.gz BZUWYCZTXNIXRA-SFHVURJKSA-N 0 0 339.351 3.316 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127612711 284156894 /nfs/dbraw/zinc/15/68/94/284156894.db2.gz JZBCEXNVYXXHSR-NUEKZKHPSA-N 0 0 328.755 3.316 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000078935692 217151653 /nfs/dbraw/zinc/15/16/53/217151653.db2.gz UCQCLLALQANMEO-FUHWJXTLSA-N 0 0 340.379 3.323 10 5 EGBERN COc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000081096038 217361287 /nfs/dbraw/zinc/36/12/87/217361287.db2.gz HNNUVJXNFGHMJP-CYBMUJFWSA-N 0 0 344.367 3.109 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000111700550 220182310 /nfs/dbraw/zinc/18/23/10/220182310.db2.gz DWXPVPZFLJZPNE-OAHLLOKOSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1csc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000088328617 217745886 /nfs/dbraw/zinc/74/58/86/217745886.db2.gz XNWKDENYQWEMAC-SNVBAGLBSA-N 0 0 326.399 3.036 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(CCOCC2)[C@H]1C ZINC000376461329 168908854 /nfs/dbraw/zinc/90/88/54/168908854.db2.gz LLPLJRKANZJSEQ-CYBMUJFWSA-N 0 0 348.399 3.085 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000266831598 248467909 /nfs/dbraw/zinc/46/79/09/248467909.db2.gz HZYPOTPWDGFRGD-BLLLJJGKSA-N 0 0 331.347 3.404 10 5 EGBERN O=[N+]([O-])c1c(N2CCO[C@@H](C3CCCCC3)C2)nc2sccn21 ZINC000408199723 169164666 /nfs/dbraw/zinc/16/46/66/169164666.db2.gz WBNMFJHJELNBLK-GFCCVEGCSA-N 0 0 336.417 3.090 10 5 EGBERN C[C@@H]1N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC12CCOCC2 ZINC000408207815 169165697 /nfs/dbraw/zinc/16/56/97/169165697.db2.gz ULNWGGXCZIXQEX-LBPRGKRZSA-N 0 0 343.383 3.107 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@]2(CCCOC2)C1 ZINC000408222089 169166163 /nfs/dbraw/zinc/16/61/63/169166163.db2.gz OHRDDKCKEJHRJO-GOSISDBHSA-N 0 0 343.383 3.109 10 5 EGBERN CCOC(=O)c1cc2c(Nc3ccc([N+](=O)[O-])cc3)cc[nH]c-2n1 ZINC000095937152 218451898 /nfs/dbraw/zinc/45/18/98/218451898.db2.gz RUKQEORXASGWGE-UHFFFAOYSA-N 0 0 326.312 3.391 10 5 EGBERN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1ncc(Cl)cc1Cl ZINC000095990847 218497322 /nfs/dbraw/zinc/49/73/22/218497322.db2.gz FIQUTERAHPFNOM-UHFFFAOYSA-N 0 0 340.122 3.253 10 5 EGBERN COc1cc(N[C@H](C)Cc2c(C)nn(C)c2C)c(F)cc1[N+](=O)[O-] ZINC000095982721 218488096 /nfs/dbraw/zinc/48/80/96/218488096.db2.gz RUGYQSINXRTGGP-SECBINFHSA-N 0 0 336.367 3.136 10 5 EGBERN CCn1nc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C1CC1 ZINC000267432029 251050911 /nfs/dbraw/zinc/05/09/11/251050911.db2.gz VMKZTONMMCPJSC-UHFFFAOYSA-N 0 0 339.355 3.422 10 5 EGBERN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cn1 ZINC000000423810 296341988 /nfs/dbraw/zinc/34/19/88/296341988.db2.gz ZOINZRQVUHKSOX-AWEZNQCLSA-N 0 0 335.772 3.422 10 5 EGBERN Cn1nccc1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153671575 224139105 /nfs/dbraw/zinc/13/91/05/224139105.db2.gz FWRSEDJCXIUBHY-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000342840190 291999127 /nfs/dbraw/zinc/99/91/27/291999127.db2.gz MLKVYUXKKOJQLW-LBPRGKRZSA-N 0 0 341.367 3.036 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(n2cccc2)CC1 ZINC000004347617 135663857 /nfs/dbraw/zinc/66/38/57/135663857.db2.gz VROIKYDXCSNWTF-UHFFFAOYSA-N 0 0 329.356 3.024 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338046683 141080959 /nfs/dbraw/zinc/08/09/59/141080959.db2.gz ZOIPRUBQIHHQES-LBPRGKRZSA-N 0 0 348.428 3.305 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000338087087 141091056 /nfs/dbraw/zinc/09/10/56/141091056.db2.gz DOADIJQUNNQAQL-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN CCc1ccc(C(=O)N2CC(OC)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000344471548 141159278 /nfs/dbraw/zinc/15/92/78/141159278.db2.gz VSDIZQYBYWUDAJ-UHFFFAOYSA-N 0 0 340.379 3.155 10 5 EGBERN O=C(c1cccc2ccsc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000344480914 141162531 /nfs/dbraw/zinc/16/25/31/141162531.db2.gz OZJPVZJEHNTDNR-UHFFFAOYSA-N 0 0 339.376 3.403 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000356832252 141351028 /nfs/dbraw/zinc/35/10/28/141351028.db2.gz KFJJNZSCPDEPRK-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN CCN(Cc1ccc2ccccc2c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357955190 141366367 /nfs/dbraw/zinc/36/63/67/141366367.db2.gz NLQSTAWQZMNYRU-UHFFFAOYSA-N 0 0 338.367 3.144 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000357954558 141366908 /nfs/dbraw/zinc/36/69/08/141366908.db2.gz LIRMFPDJQVBDMN-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000104460629 142588085 /nfs/dbraw/zinc/58/80/85/142588085.db2.gz BNGHVGOUGWROIJ-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000162510378 142596337 /nfs/dbraw/zinc/59/63/37/142596337.db2.gz VWSBLHKPPUEPHK-CVEARBPZSA-N 0 0 343.387 3.405 10 5 EGBERN Cc1csc(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)n1 ZINC000171221112 144001964 /nfs/dbraw/zinc/00/19/64/144001964.db2.gz LBKBFRSKXYYETJ-UHFFFAOYSA-N 0 0 337.426 3.441 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000171723116 144010154 /nfs/dbraw/zinc/01/01/54/144010154.db2.gz SEMDRZTWRMMAML-GFCCVEGCSA-N 0 0 347.396 3.080 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173010251 144033322 /nfs/dbraw/zinc/03/33/22/144033322.db2.gz WDAQIPHYQPQMQZ-RDTXWAMCSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000173410953 144040791 /nfs/dbraw/zinc/04/07/91/144040791.db2.gz CZRZXMUAGQITMA-JTQLQIEISA-N 0 0 337.426 3.441 10 5 EGBERN O=C(Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173633816 144045712 /nfs/dbraw/zinc/04/57/12/144045712.db2.gz CDMUGXHCFANGOU-UHFFFAOYSA-N 0 0 340.379 3.207 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCCN(c3ccccn3)CC2)c1 ZINC000183833274 144080687 /nfs/dbraw/zinc/08/06/87/144080687.db2.gz LMDCLWRNJOWIRZ-UHFFFAOYSA-N 0 0 346.818 3.356 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000184661907 144097201 /nfs/dbraw/zinc/09/72/01/144097201.db2.gz BQBOFIUSTXUADU-UHFFFAOYSA-N 0 0 326.327 3.422 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1[C@H](C)C1CC1 ZINC000351623237 144289120 /nfs/dbraw/zinc/28/91/20/144289120.db2.gz UIMLMKHCKFXLGY-SNVBAGLBSA-N 0 0 347.350 3.276 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351767416 144303661 /nfs/dbraw/zinc/30/36/61/144303661.db2.gz VIKPGJWUJUXLRL-VXGBXAGGSA-N 0 0 326.343 3.122 10 5 EGBERN COc1cc(COc2cc(C)ccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000351828228 144312779 /nfs/dbraw/zinc/31/27/79/144312779.db2.gz WCEISDQUXMYTMV-UHFFFAOYSA-N 0 0 330.340 3.449 10 5 EGBERN C[C@H](NC(=O)COc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000361673723 144348307 /nfs/dbraw/zinc/34/83/07/144348307.db2.gz MBCPNTBFTCVERD-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364305807 144398934 /nfs/dbraw/zinc/39/89/34/144398934.db2.gz STAXFVKGMRHNIT-IBGZPJMESA-N 0 0 338.363 3.257 10 5 EGBERN Cc1ccc(F)c2c1CCCN2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000109220843 292120178 /nfs/dbraw/zinc/12/01/78/292120178.db2.gz NFAOWMOYOLQHCR-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN COc1ncc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000341473822 155312979 /nfs/dbraw/zinc/31/29/79/155312979.db2.gz HPXJZHUAXQGFHV-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115221415 152000741 /nfs/dbraw/zinc/00/07/41/152000741.db2.gz WHFFLCBRWXVLQI-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN Cc1noc(COc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000115525140 152017184 /nfs/dbraw/zinc/01/71/84/152017184.db2.gz UXFYULDSYNJCQE-UHFFFAOYSA-N 0 0 341.323 3.444 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587903 152104628 /nfs/dbraw/zinc/10/46/28/152104628.db2.gz VTYOHPFMTQIPSN-AWEZNQCLSA-N 0 0 338.363 3.440 10 5 EGBERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000117619158 152108074 /nfs/dbraw/zinc/10/80/74/152108074.db2.gz HESIWKHNQDXQGO-PEBVRCNWSA-N 0 0 326.352 3.337 10 5 EGBERN C[C@H](c1ccccn1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341581176 155365765 /nfs/dbraw/zinc/36/57/65/155365765.db2.gz BLHYSIYZFIAEKY-SNVBAGLBSA-N 0 0 335.310 3.030 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000189534387 153076924 /nfs/dbraw/zinc/07/69/24/153076924.db2.gz VSGOHGOLWIASIY-SNVBAGLBSA-N 0 0 347.396 3.211 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000189814021 153099377 /nfs/dbraw/zinc/09/93/77/153099377.db2.gz PCHKUGPWMVEGSR-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC(C)(C)c1csc([C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCO2)n1 ZINC000195314145 153394923 /nfs/dbraw/zinc/39/49/23/153394923.db2.gz APSHCPSZTHOXIV-GFCCVEGCSA-N 0 0 348.428 3.322 10 5 EGBERN O=C(c1cnc2cnccc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000336997005 154256719 /nfs/dbraw/zinc/25/67/19/154256719.db2.gz OUBNSCJJXOOWGY-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN CCNc1ccc(C(=O)NCc2cc(C)cc(OC)c2)cc1[N+](=O)[O-] ZINC000337357326 154305572 /nfs/dbraw/zinc/30/55/72/154305572.db2.gz CLMPTPVUNBOETG-UHFFFAOYSA-N 0 0 343.383 3.274 10 5 EGBERN CCOc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000339873620 155013972 /nfs/dbraw/zinc/01/39/72/155013972.db2.gz UHWIWGPECIVJEJ-UHFFFAOYSA-N 0 0 344.289 3.328 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000341039100 155127872 /nfs/dbraw/zinc/12/78/72/155127872.db2.gz MTMIYFZESDWYGP-HUUCEWRRSA-N 0 0 330.388 3.452 10 5 EGBERN O=C(N[C@H]1CCCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000341042165 155128206 /nfs/dbraw/zinc/12/82/06/155128206.db2.gz ZVLAVFTXVLXFQB-QMMMGPOBSA-N 0 0 334.319 3.239 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC[C@H](C(F)(F)F)C3)n2)nc1 ZINC000346865665 156171083 /nfs/dbraw/zinc/17/10/83/156171083.db2.gz GSGKABDKEIHXSN-IUCAKERBSA-N 0 0 342.277 3.410 10 5 EGBERN CCc1nc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c(C)o1 ZINC000346870018 156171837 /nfs/dbraw/zinc/17/18/37/156171837.db2.gz DJWPRQCUFLTNBR-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN COc1c(-c2nc(CC3CCC(OC)CC3)no2)cccc1[N+](=O)[O-] ZINC000346934297 156203435 /nfs/dbraw/zinc/20/34/35/156203435.db2.gz DOGDFCRYNFHIPG-UHFFFAOYSA-N 0 0 347.371 3.401 10 5 EGBERN CO[C@H](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346934605 156203815 /nfs/dbraw/zinc/20/38/15/156203815.db2.gz NPJHIDSNIPHMNQ-CYBMUJFWSA-N 0 0 348.321 3.415 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000362227821 157086550 /nfs/dbraw/zinc/08/65/50/157086550.db2.gz DJWHQDZWLSGWQR-OLZOCXBDSA-N 0 0 345.321 3.491 10 5 EGBERN COc1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000368820051 157297797 /nfs/dbraw/zinc/29/77/97/157297797.db2.gz AJTIZKKHOXTIDI-KRWDZBQOSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000372468697 157338709 /nfs/dbraw/zinc/33/87/09/157338709.db2.gz LLAPMMLVDSXZBB-OAHLLOKOSA-N 0 0 340.383 3.395 10 5 EGBERN Cc1nn(Cc2c(F)cccc2Br)c(C)c1[N+](=O)[O-] ZINC000092849897 161986084 /nfs/dbraw/zinc/98/60/84/161986084.db2.gz BXHVAGZLMZXMFJ-UHFFFAOYSA-N 0 0 328.141 3.358 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109089702 162091977 /nfs/dbraw/zinc/09/19/77/162091977.db2.gz LPHYERVTIRVLCJ-KGLIPLIRSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccsc2)ns1 ZINC000109110881 162093764 /nfs/dbraw/zinc/09/37/64/162093764.db2.gz DSDJEAPQFGYPBO-UHFFFAOYSA-N 0 0 346.393 3.356 10 5 EGBERN Cc1c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814127 162111675 /nfs/dbraw/zinc/11/16/75/162111675.db2.gz SKTOCVZHGQQCIC-SFHVURJKSA-N 0 0 339.395 3.141 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110451234 162127276 /nfs/dbraw/zinc/12/72/76/162127276.db2.gz NFYIURIBJFJJGF-LSDHHAIUSA-N 0 0 326.352 3.137 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000110568872 162131556 /nfs/dbraw/zinc/13/15/56/162131556.db2.gz NJHAYWKNEATMPQ-DIFFPNOSSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114511359 162235714 /nfs/dbraw/zinc/23/57/14/162235714.db2.gz VUQGIKAIZUJQJG-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000125647087 162283668 /nfs/dbraw/zinc/28/36/68/162283668.db2.gz MQGOFAMMXYFTFH-UHFFFAOYSA-N 0 0 344.396 3.156 10 5 EGBERN Cc1nn(C)c(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000128747022 162335193 /nfs/dbraw/zinc/33/51/93/162335193.db2.gz FJCKUDDBCAMYGA-HNNXBMFYSA-N 0 0 342.399 3.231 10 5 EGBERN C[C@@H](c1ccccc1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129647810 162362129 /nfs/dbraw/zinc/36/21/29/162362129.db2.gz AISIYTKTGJXXHW-ZDUSSCGKSA-N 0 0 334.397 3.118 10 5 EGBERN Cc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130925319 162384006 /nfs/dbraw/zinc/38/40/06/162384006.db2.gz BPRCFHINNGQYNS-CHWSQXEVSA-N 0 0 329.404 3.243 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248557443 163013528 /nfs/dbraw/zinc/01/35/28/163013528.db2.gz IMULBSCKQHLAPR-DIKSDDLMSA-N 0 0 330.384 3.072 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCc2c(OC)cc(OC)cc2OC)c1 ZINC000338648867 163305811 /nfs/dbraw/zinc/30/58/11/163305811.db2.gz FTVUUYPOIFXKRT-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338811967 163354053 /nfs/dbraw/zinc/35/40/53/163354053.db2.gz KRFZPPGRQBGXOO-CQSZACIVSA-N 0 0 335.429 3.163 10 5 EGBERN CCOc1cc(N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000338838322 163360042 /nfs/dbraw/zinc/36/00/42/163360042.db2.gz CDBHEGUKDWEFQY-KBRIMQKVSA-N 0 0 346.387 3.021 10 5 EGBERN O=C(NCCOc1ccccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338878652 163371936 /nfs/dbraw/zinc/37/19/36/163371936.db2.gz TUSBQDIURFEJPW-UHFFFAOYSA-N 0 0 343.314 3.024 10 5 EGBERN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000340264318 163526128 /nfs/dbraw/zinc/52/61/28/163526128.db2.gz OTXXJTDGSGLRHE-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1c(NC(=O)NCCCc2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000340348651 163555808 /nfs/dbraw/zinc/55/58/08/163555808.db2.gz DLQWGYSWTCAQDT-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(SC)cc2)n1 ZINC000341828501 163721296 /nfs/dbraw/zinc/72/12/96/163721296.db2.gz XPHIKCOXSUUQTO-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN CC[C@H](NCc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000342265979 163829335 /nfs/dbraw/zinc/82/93/35/163829335.db2.gz LVEOFPVVGUYSNX-NSHDSACASA-N 0 0 344.293 3.324 10 5 EGBERN CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000343789862 164035028 /nfs/dbraw/zinc/03/50/28/164035028.db2.gz IANUSJFDOXJOHK-CYBMUJFWSA-N 0 0 346.383 3.200 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000344042153 164089325 /nfs/dbraw/zinc/08/93/25/164089325.db2.gz AQPPKCBMEMBWJL-NSHDSACASA-N 0 0 349.412 3.040 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000344053552 164091516 /nfs/dbraw/zinc/09/15/16/164091516.db2.gz UIEZPHWLRUFPEV-UHFFFAOYSA-N 0 0 331.376 3.119 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC(C)(C)C1 ZINC000344183396 164121726 /nfs/dbraw/zinc/12/17/26/164121726.db2.gz AHNQRLHBIDXZDB-JTQLQIEISA-N 0 0 326.343 3.453 10 5 EGBERN CCN(c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344387801 164168398 /nfs/dbraw/zinc/16/83/98/164168398.db2.gz GIGGLIXCEWOGNR-UHFFFAOYSA-N 0 0 330.362 3.011 10 5 EGBERN COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])nc3)o2)cc1 ZINC000344431375 164177266 /nfs/dbraw/zinc/17/72/66/164177266.db2.gz FXJNKHHZGATRPY-UHFFFAOYSA-N 0 0 344.352 3.123 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000346007121 164316481 /nfs/dbraw/zinc/31/64/81/164316481.db2.gz HLZUYBGONXVRBD-UHFFFAOYSA-N 0 0 327.340 3.264 10 5 EGBERN COc1ccc(CNC(=O)c2coc3cc(F)ccc23)cc1[N+](=O)[O-] ZINC000354846706 166047033 /nfs/dbraw/zinc/04/70/33/166047033.db2.gz YIDIFTXNWSZAKS-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN CN(C[C@@H]1OCCc2ccccc21)c1ncc([N+](=O)[O-])cc1Cl ZINC000346408893 164382327 /nfs/dbraw/zinc/38/23/27/164382327.db2.gz KMNUOHNLQIBRQM-HNNXBMFYSA-N 0 0 333.775 3.393 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCOC[C@H]3C)no2)cc([N+](=O)[O-])c1C ZINC000347231065 164464431 /nfs/dbraw/zinc/46/44/31/164464431.db2.gz XOQCIIWSZAHZIE-BXKDBHETSA-N 0 0 333.344 3.102 10 5 EGBERN CCc1noc(C)c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000354873552 166052486 /nfs/dbraw/zinc/05/24/86/166052486.db2.gz GZPXLNOUTLVXCY-UHFFFAOYSA-N 0 0 331.372 3.048 10 5 EGBERN C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000354917546 166063357 /nfs/dbraw/zinc/06/33/57/166063357.db2.gz GFXAQZQEUJRICW-GUYCJALGSA-N 0 0 343.383 3.079 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000349931269 164976523 /nfs/dbraw/zinc/97/65/23/164976523.db2.gz ARZAFGCWARHFKQ-INIZCTEOSA-N 0 0 340.379 3.451 10 5 EGBERN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCCCO1 ZINC000351680302 165130456 /nfs/dbraw/zinc/13/04/56/165130456.db2.gz QEQPLQRZJXKAIG-UHFFFAOYSA-N 0 0 348.277 3.094 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000351686999 165132304 /nfs/dbraw/zinc/13/23/04/165132304.db2.gz AOZUUYOVZOYZTN-FVKWTLKZSA-N 0 0 340.383 3.089 10 5 EGBERN COc1cc(COc2ccc(NC(C)=O)cc2F)ccc1[N+](=O)[O-] ZINC000351906190 165145282 /nfs/dbraw/zinc/14/52/82/165145282.db2.gz XHPZAMULQUUUHU-UHFFFAOYSA-N 0 0 334.303 3.280 10 5 EGBERN COc1cc(CNc2ccccc2O[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352028094 165198384 /nfs/dbraw/zinc/19/83/84/165198384.db2.gz SNNVMWLQAVMQRA-CQSZACIVSA-N 0 0 344.367 3.383 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000352037730 165204003 /nfs/dbraw/zinc/20/40/03/165204003.db2.gz ZEJZOQUKNYXMNQ-INIZCTEOSA-N 0 0 349.314 3.173 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352049594 165209275 /nfs/dbraw/zinc/20/92/75/165209275.db2.gz RLWBUTUDPUHJIP-FZMZJTMJSA-N 0 0 349.412 3.059 10 5 EGBERN C[C@@H](NC(=O)COc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000355147024 166117325 /nfs/dbraw/zinc/11/73/25/166117325.db2.gz TYLFFTTYABJOCC-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN C[C@H](NC(=O)COc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000355147023 166117641 /nfs/dbraw/zinc/11/76/41/166117641.db2.gz TYLFFTTYABJOCC-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000355161491 166120525 /nfs/dbraw/zinc/12/05/25/166120525.db2.gz IRGPQICAJYCLCL-KPZWWZAWSA-N 0 0 334.416 3.210 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ncccc1[O-] ZINC000355283292 166153488 /nfs/dbraw/zinc/15/34/88/166153488.db2.gz QWCYKMNJVARGBB-HIFRSBDPSA-N 0 0 327.384 3.196 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CO)c1ccsc1 ZINC000355603040 166258352 /nfs/dbraw/zinc/25/83/52/166258352.db2.gz WMQGVZUUTGLJDO-CYBMUJFWSA-N 0 0 335.385 3.128 10 5 EGBERN COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000355635347 166267198 /nfs/dbraw/zinc/26/71/98/166267198.db2.gz OZYVGYSRZGDGGL-UHFFFAOYSA-N 0 0 346.408 3.435 10 5 EGBERN COc1cc(OCc2noc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000355958151 166359899 /nfs/dbraw/zinc/35/98/99/166359899.db2.gz PLZWOACJJRYYDS-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(Cc3ccccn3)no2)ccc1NC1CC1 ZINC000356003882 166372776 /nfs/dbraw/zinc/37/27/76/166372776.db2.gz DIHASKFIEPIXOM-UHFFFAOYSA-N 0 0 337.339 3.205 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000356025134 166378193 /nfs/dbraw/zinc/37/81/93/166378193.db2.gz PCCZHKPSPBGNJF-UHFFFAOYSA-N 0 0 343.383 3.403 10 5 EGBERN O=C1CCc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2N1 ZINC000356077368 166393480 /nfs/dbraw/zinc/39/34/80/166393480.db2.gz OVWAXWQNKCPPML-UHFFFAOYSA-N 0 0 336.307 3.197 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000357217149 166616252 /nfs/dbraw/zinc/61/62/52/166616252.db2.gz KRRWIWVQLQIJNM-UHFFFAOYSA-N 0 0 329.337 3.059 10 5 EGBERN Cc1cc(Cc2noc(-c3ccc(N(C)C)nc3)n2)ccc1[N+](=O)[O-] ZINC000357380013 166662959 /nfs/dbraw/zinc/66/29/59/166662959.db2.gz CBKANHNLVWWYBU-UHFFFAOYSA-N 0 0 339.355 3.005 10 5 EGBERN Cc1ccncc1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000357839390 166788204 /nfs/dbraw/zinc/78/82/04/166788204.db2.gz XYPPGJGHRUAXRC-ZDUSSCGKSA-N 0 0 345.424 3.437 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1C ZINC000358604980 166913753 /nfs/dbraw/zinc/91/37/53/166913753.db2.gz GVAFSOSMNHYASO-GFCCVEGCSA-N 0 0 330.388 3.043 10 5 EGBERN C[C@@H]1SCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C ZINC000358964039 167020609 /nfs/dbraw/zinc/02/06/09/167020609.db2.gz GWWIHKVUIAXHBI-IUCAKERBSA-N 0 0 346.355 3.162 10 5 EGBERN CCSCC[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359075561 167059708 /nfs/dbraw/zinc/05/97/08/167059708.db2.gz HMOODAUOACRODP-SECBINFHSA-N 0 0 348.371 3.458 10 5 EGBERN CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000359262400 167109029 /nfs/dbraw/zinc/10/90/29/167109029.db2.gz BDQBFDVTWAEDQB-CYBMUJFWSA-N 0 0 340.326 3.457 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000359533725 167182334 /nfs/dbraw/zinc/18/23/34/167182334.db2.gz QLERUYDJUJCPCH-SIVJFFJCSA-N 0 0 330.388 3.485 10 5 EGBERN Cc1c(CNC(=O)N2CCC3(CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359538076 167184465 /nfs/dbraw/zinc/18/44/65/167184465.db2.gz BECITYKXXCJKCC-AWEZNQCLSA-N 0 0 347.415 3.004 10 5 EGBERN O=C(Nc1cc2c(cn1)CCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359767770 167227810 /nfs/dbraw/zinc/22/78/10/167227810.db2.gz UUMUPRBVYNLDRU-UHFFFAOYSA-N 0 0 349.293 3.332 10 5 EGBERN COc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000359887286 167258806 /nfs/dbraw/zinc/25/88/06/167258806.db2.gz VLULEHKHPRMNFI-UHFFFAOYSA-N 0 0 328.368 3.170 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCCOCCOc1ccccc1 ZINC000360337975 167306450 /nfs/dbraw/zinc/30/64/50/167306450.db2.gz WSYALTJHKBZTFH-UHFFFAOYSA-N 0 0 332.356 3.111 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000360471883 167336966 /nfs/dbraw/zinc/33/69/66/167336966.db2.gz FUSBVKPYNAUZET-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN Cc1c(CNC(=O)CCC(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000360529262 167350571 /nfs/dbraw/zinc/35/05/71/167350571.db2.gz PJNHGLJANQLWPI-UHFFFAOYSA-N 0 0 344.342 3.322 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)nn(C)c1C ZINC000360547611 167355323 /nfs/dbraw/zinc/35/53/23/167355323.db2.gz RGRISGXNYZXATN-CQSZACIVSA-N 0 0 330.388 3.153 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3/C=C/c3ccccc3)nn21 ZINC000360641054 167376529 /nfs/dbraw/zinc/37/65/29/167376529.db2.gz ICLKIUWCXXBGIB-HVHJFMEUSA-N 0 0 335.367 3.320 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360694570 167390274 /nfs/dbraw/zinc/39/02/74/167390274.db2.gz YCYORCPVSRFGRT-OAHLLOKOSA-N 0 0 325.368 3.261 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCC[C@H]1COc2ccccc2O1 ZINC000360783416 167411012 /nfs/dbraw/zinc/41/10/12/167411012.db2.gz TXAJCCUMDXPMFC-HNNXBMFYSA-N 0 0 344.367 3.383 10 5 EGBERN CNc1c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000361175794 167546026 /nfs/dbraw/zinc/54/60/26/167546026.db2.gz GWKHKZQKRNBAEU-KGLIPLIRSA-N 0 0 329.331 3.062 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000362487851 167771640 /nfs/dbraw/zinc/77/16/40/167771640.db2.gz WJDHAGYMTUBDJQ-BXUZGUMPSA-N 0 0 331.372 3.448 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000362871495 167854048 /nfs/dbraw/zinc/85/40/48/167854048.db2.gz BAPWOFJXWGHRKZ-WMLDXEAASA-N 0 0 342.395 3.074 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000364965983 168006270 /nfs/dbraw/zinc/00/62/70/168006270.db2.gz UXYCSRRPSMRZSG-BUYIWHAFSA-N 0 0 344.411 3.416 10 5 EGBERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122932724 222185334 /nfs/dbraw/zinc/18/53/34/222185334.db2.gz DTMYXPVSAGWIQZ-AWEZNQCLSA-N 0 0 348.424 3.378 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000124049947 222369750 /nfs/dbraw/zinc/36/97/50/222369750.db2.gz YHHHPSCTEJMUPN-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000110568869 264745062 /nfs/dbraw/zinc/74/50/62/264745062.db2.gz NJHAYWKNEATMPQ-APPDUMDISA-N 0 0 326.352 3.267 10 5 EGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000174185754 265029279 /nfs/dbraw/zinc/02/92/79/265029279.db2.gz ICPCJFJBZNDCJU-LLVKDONJSA-N 0 0 345.403 3.006 10 5 EGBERN CCOc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-] ZINC000174895654 265077277 /nfs/dbraw/zinc/07/72/77/265077277.db2.gz ZOPVWDGDZJDRDI-CYBMUJFWSA-N 0 0 345.403 3.135 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178286709 265305299 /nfs/dbraw/zinc/30/52/99/265305299.db2.gz BVJSYFFDXROETD-HZPDHXFCSA-N 0 0 343.427 3.457 10 5 EGBERN CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000178643800 265333428 /nfs/dbraw/zinc/33/34/28/265333428.db2.gz GAHXUBQTZJVGLS-ZDUSSCGKSA-N 0 0 340.426 3.227 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)cc2)n1 ZINC000191498689 265908667 /nfs/dbraw/zinc/90/86/67/265908667.db2.gz XOOAFHQYOWHFPE-UHFFFAOYSA-N 0 0 344.371 3.385 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000191652886 265922310 /nfs/dbraw/zinc/92/23/10/265922310.db2.gz XNVAUWAHCKLYNA-UHFFFAOYSA-N 0 0 329.356 3.362 10 5 EGBERN CCc1ccc(C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191659401 265924170 /nfs/dbraw/zinc/92/41/70/265924170.db2.gz FETNVDJVNGSVDA-UHFFFAOYSA-N 0 0 344.415 3.081 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000193503544 266038863 /nfs/dbraw/zinc/03/88/63/266038863.db2.gz FBVBVNFLXCVUME-OAHLLOKOSA-N 0 0 349.774 3.069 10 5 EGBERN O=C(N[C@H](CCO)C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270263603 266442208 /nfs/dbraw/zinc/44/22/08/266442208.db2.gz KFPQWEFPBDCYPE-MRXNPFEDSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1sc(C(=O)N[C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000270760285 266553861 /nfs/dbraw/zinc/55/38/61/266553861.db2.gz PVIJJBDNEOQLNC-ZDUSSCGKSA-N 0 0 334.397 3.208 10 5 EGBERN CC[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000272708544 266903612 /nfs/dbraw/zinc/90/36/12/266903612.db2.gz DBOMOFHQMGUPOI-MJGOQNOKSA-N 0 0 342.395 3.460 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000273567327 267060178 /nfs/dbraw/zinc/06/01/78/267060178.db2.gz IIWKLAFHXGQLRG-KBPBESRZSA-N 0 0 346.383 3.210 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000273744227 267096855 /nfs/dbraw/zinc/09/68/55/267096855.db2.gz QRCKLFXDZCFXAX-UHFFFAOYSA-N 0 0 341.371 3.047 10 5 EGBERN CCOc1cccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000273820890 267116516 /nfs/dbraw/zinc/11/65/16/267116516.db2.gz CRMDBJTXZFIOAM-ZFWWWQNUSA-N 0 0 330.388 3.278 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000274365176 267224131 /nfs/dbraw/zinc/22/41/31/267224131.db2.gz JKNODNIICOMIRR-MAZHCROVSA-N 0 0 349.431 3.094 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000274489158 267245073 /nfs/dbraw/zinc/24/50/73/267245073.db2.gz QMKJKCZARDCDKV-FZMZJTMJSA-N 0 0 340.807 3.117 10 5 EGBERN COc1cc(C(=O)N2CCCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000274939074 267309193 /nfs/dbraw/zinc/30/91/93/267309193.db2.gz DZLXTTMLOHHSTD-UHFFFAOYSA-N 0 0 344.314 3.219 10 5 EGBERN C[C@@H]1COCC[C@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277640560 267835229 /nfs/dbraw/zinc/83/52/29/267835229.db2.gz NPLZWIKCJNMBCK-VXNVDRBHSA-N 0 0 349.265 3.359 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](O)CC(C)(C)C ZINC000277961982 267913989 /nfs/dbraw/zinc/91/39/89/267913989.db2.gz KRVFBHCXPXVTQL-LLVKDONJSA-N 0 0 328.796 3.084 10 5 EGBERN CCC(CC)(CO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278481363 268023072 /nfs/dbraw/zinc/02/30/72/268023072.db2.gz JGRFKVAMXACXTD-UHFFFAOYSA-N 0 0 328.796 3.085 10 5 EGBERN C[C@H](NC(=O)NCCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000083196006 275152489 /nfs/dbraw/zinc/15/24/89/275152489.db2.gz ZVZZLEVQLQJZSF-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN Cc1nc([C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])cs1 ZINC000275014533 275249529 /nfs/dbraw/zinc/24/95/29/275249529.db2.gz KMCAVKSBIVKNNM-SNVBAGLBSA-N 0 0 335.414 3.410 10 5 EGBERN CCc1csc(CC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000279327804 275322989 /nfs/dbraw/zinc/32/29/89/275322989.db2.gz CLDLANYLKXKVBW-AWEZNQCLSA-N 0 0 333.413 3.424 10 5 EGBERN CCC[C@]12CCCN1C(=O)N([C@H](C)c1ccccc1[N+](=O)[O-])C2=O ZINC000279863848 275367222 /nfs/dbraw/zinc/36/72/22/275367222.db2.gz BWTNOOBTZYCWKN-SJKOYZFVSA-N 0 0 331.372 3.253 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000279961656 275382628 /nfs/dbraw/zinc/38/26/28/275382628.db2.gz JPFRBUBBVBNGBD-QGZVFWFLSA-N 0 0 331.372 3.107 10 5 EGBERN Cc1c(NC(=O)CCOC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280560594 275465325 /nfs/dbraw/zinc/46/53/25/275465325.db2.gz JMEYTONDGPDHEY-UHFFFAOYSA-N 0 0 345.193 3.419 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281148771 275525819 /nfs/dbraw/zinc/52/58/19/275525819.db2.gz VTYMYQKHODSILU-CQSZACIVSA-N 0 0 348.790 3.349 10 5 EGBERN CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000282906315 275681705 /nfs/dbraw/zinc/68/17/05/275681705.db2.gz UTWBZLNRPSRXCB-AWEZNQCLSA-N 0 0 335.429 3.137 10 5 EGBERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000284566031 275810231 /nfs/dbraw/zinc/81/02/31/275810231.db2.gz IIGWPGWRYHEWBR-PEBVRCNWSA-N 0 0 337.395 3.226 10 5 EGBERN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccc(F)cc21 ZINC000360476787 276012651 /nfs/dbraw/zinc/01/26/51/276012651.db2.gz IRLJFTCCJSIGOG-UHFFFAOYSA-N 0 0 333.319 3.204 10 5 EGBERN CCCn1nccc1C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369215251 276059750 /nfs/dbraw/zinc/05/97/50/276059750.db2.gz OGPRBLVBRRANEB-UHFFFAOYSA-N 0 0 329.404 3.168 10 5 EGBERN Cc1ccc(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000287313901 276107101 /nfs/dbraw/zinc/10/71/01/276107101.db2.gz VZIFWBKCSBCOSS-LLVKDONJSA-N 0 0 333.775 3.372 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000287406192 276116597 /nfs/dbraw/zinc/11/65/97/276116597.db2.gz AJBSVXINACHULP-ULQDDVLXSA-N 0 0 347.415 3.399 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@@H]1CC(F)F ZINC000288673147 276240695 /nfs/dbraw/zinc/24/06/95/276240695.db2.gz BLKPEBREYOWNAS-JTQLQIEISA-N 0 0 348.733 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000288743296 276247786 /nfs/dbraw/zinc/24/77/86/276247786.db2.gz ICERRQYJBDSNKY-SUMWQHHRSA-N 0 0 343.383 3.455 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@@H]3C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000288964127 276272380 /nfs/dbraw/zinc/27/23/80/276272380.db2.gz AUADHOHGIBCRDO-CHWSQXEVSA-N 0 0 347.371 3.345 10 5 EGBERN Cc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)s1 ZINC000289636443 276370079 /nfs/dbraw/zinc/37/00/79/276370079.db2.gz CEWVZMGPFPZGKX-UHFFFAOYSA-N 0 0 330.369 3.119 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000292011686 276720552 /nfs/dbraw/zinc/72/05/52/276720552.db2.gz SCRDBBAEIVXDGZ-ACJLOTCBSA-N 0 0 327.384 3.274 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292065134 276728526 /nfs/dbraw/zinc/72/85/26/276728526.db2.gz BZPHIMJJVJAROO-ZBEGNZNMSA-N 0 0 346.408 3.397 10 5 EGBERN Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C2CC2)n1 ZINC000292732258 276864740 /nfs/dbraw/zinc/86/47/40/276864740.db2.gz GJGFMKRUESKACT-UHFFFAOYSA-N 0 0 334.763 3.040 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000135936241 277266648 /nfs/dbraw/zinc/26/66/48/277266648.db2.gz XOLDCXBQPCZUKS-PBWFPOADSA-N 0 0 332.400 3.020 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359708404 278088255 /nfs/dbraw/zinc/08/82/55/278088255.db2.gz UTLOPGWDTXYIHJ-HTQZYQBOSA-N 0 0 334.323 3.471 10 5 EGBERN CC(C)c1nnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000361148523 278103506 /nfs/dbraw/zinc/10/35/06/278103506.db2.gz CRWYLRPECYQNND-UHFFFAOYSA-N 0 0 342.327 3.029 10 5 EGBERN C[C@@H]1C[C@@]2(CCO1)CN(c1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000376003820 278940359 /nfs/dbraw/zinc/94/03/59/278940359.db2.gz OTIUHTBVUGXQSW-GDLVEWKHSA-N 0 0 342.342 3.036 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000359900357 279003964 /nfs/dbraw/zinc/00/39/64/279003964.db2.gz PEDNCULIBUCILQ-UHFFFAOYSA-N 0 0 326.278 3.139 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCOC2(C)C)ncc1[N+](=O)[O-] ZINC000328402309 280198670 /nfs/dbraw/zinc/19/86/70/280198670.db2.gz RWFOMJWKCLELCP-SECBINFHSA-N 0 0 330.182 3.040 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CCCn3ccnc3)CC2)n1 ZINC000340775461 280398349 /nfs/dbraw/zinc/39/83/49/280398349.db2.gz IDRYTPVWQAOMGI-UHFFFAOYSA-N 0 0 343.431 3.500 10 5 EGBERN Cc1nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)sc1C ZINC000361020759 293313878 /nfs/dbraw/zinc/31/38/78/293313878.db2.gz QIBYQSKVLBZWBK-UHFFFAOYSA-N 0 0 327.312 3.128 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000348017755 294127770 /nfs/dbraw/zinc/12/77/70/294127770.db2.gz RDUUCOYXGVCUAC-AWEZNQCLSA-N 0 0 346.305 3.255 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000353910257 294251388 /nfs/dbraw/zinc/25/13/88/294251388.db2.gz KPGKEKGKSVUAOM-CQSZACIVSA-N 0 0 349.431 3.081 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119308459 307493477 /nfs/dbraw/zinc/49/34/77/307493477.db2.gz MFIFTPMIMZGMRX-ZDUSSCGKSA-N 0 0 326.352 3.199 10 5 EGBERN CC(C)OCC(C)(C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000413984058 309055303 /nfs/dbraw/zinc/05/53/03/309055303.db2.gz DWWWWOCRZWLOEJ-UHFFFAOYSA-N 0 0 346.330 3.130 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414027691 309056892 /nfs/dbraw/zinc/05/68/92/309056892.db2.gz DCPRJJOXEOZKFQ-GXTWGEPZSA-N 0 0 334.416 3.173 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(F)cc(Br)c2)c1=O ZINC000127199965 307581017 /nfs/dbraw/zinc/58/10/17/307581017.db2.gz ZPNQFAQYSOLDBB-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000134134181 307682085 /nfs/dbraw/zinc/68/20/85/307682085.db2.gz ACRMEAYKSGERJB-SNVBAGLBSA-N 0 0 342.380 3.399 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000135150636 307698737 /nfs/dbraw/zinc/69/87/37/307698737.db2.gz LJNPFXWXNQFZNB-SJCJKPOMSA-N 0 0 341.367 3.451 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000151713991 307737850 /nfs/dbraw/zinc/73/78/50/307737850.db2.gz JUOUNEZAVLGXHT-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN CCCCc1noc([C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153341561 307771057 /nfs/dbraw/zinc/77/10/57/307771057.db2.gz LLMFLSRGJPCGBM-GFCCVEGCSA-N 0 0 330.388 3.440 10 5 EGBERN COc1cc(OCC(=O)N[C@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155627990 307817743 /nfs/dbraw/zinc/81/77/43/307817743.db2.gz GONVYZVEVUNSCZ-CABCVRRESA-N 0 0 348.399 3.067 10 5 EGBERN CC[C@@H](O)CN(CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170715338 307934551 /nfs/dbraw/zinc/93/45/51/307934551.db2.gz PMJYTMITPKAQFH-MRXNPFEDSA-N 0 0 330.384 3.251 10 5 EGBERN COc1cc(CN2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245487 308113310 /nfs/dbraw/zinc/11/33/10/308113310.db2.gz BGIWPGRNDSUNFB-ZJUUUORDSA-N 0 0 330.331 3.088 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414473108 309082635 /nfs/dbraw/zinc/08/26/35/309082635.db2.gz PZRBXUNJCFGVLB-SUMWQHHRSA-N 0 0 346.408 3.340 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414476430 309082926 /nfs/dbraw/zinc/08/29/26/309082926.db2.gz XPKBMZNBVCMBOV-WFASDCNBSA-N 0 0 332.381 3.199 10 5 EGBERN Cc1cc(OCC(=O)Nc2cccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000293769200 308160293 /nfs/dbraw/zinc/16/02/93/308160293.db2.gz ANXMUYLVIPTSPE-UHFFFAOYSA-N 0 0 327.340 3.193 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000414511721 309085664 /nfs/dbraw/zinc/08/56/64/309085664.db2.gz LMTMBNDEMYOXMP-LBPRGKRZSA-N 0 0 329.404 3.498 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCO[C@H](C(C)C)C1 ZINC000294388235 308216603 /nfs/dbraw/zinc/21/66/03/308216603.db2.gz LVECHFPOPZXXKZ-AWEZNQCLSA-N 0 0 340.807 3.444 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(CO)(c2ccccc2)C1 ZINC000414543622 309087775 /nfs/dbraw/zinc/08/77/75/309087775.db2.gz BQXAMEXLUPKZRI-YBEGLDIGSA-N 0 0 338.407 3.244 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295362330 308318527 /nfs/dbraw/zinc/31/85/27/308318527.db2.gz WFABMOPPARQZNA-UKRRQHHQSA-N 0 0 344.371 3.129 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@H]1C ZINC000296049826 308388627 /nfs/dbraw/zinc/38/86/27/308388627.db2.gz TYPPLQOBIHUEQV-YMTOWFKASA-N 0 0 326.780 3.054 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297744975 308560297 /nfs/dbraw/zinc/56/02/97/308560297.db2.gz LDNWNBNMJQWMSO-DTWKUNHWSA-N 0 0 332.282 3.185 10 5 EGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccc(Cl)c1 ZINC000301059802 308686698 /nfs/dbraw/zinc/68/66/98/308686698.db2.gz BEPMZTNVOKDROX-UHFFFAOYSA-N 0 0 348.790 3.132 10 5 EGBERN O=C(c1ccccc1)c1ccc(N[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000301179087 308690732 /nfs/dbraw/zinc/69/07/32/308690732.db2.gz NTLCVXUHHUXMOC-HNNXBMFYSA-N 0 0 326.352 3.417 10 5 EGBERN CCc1cc(N[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301179095 308690772 /nfs/dbraw/zinc/69/07/72/308690772.db2.gz NUIBKIQPXOLBOR-CQSZACIVSA-N 0 0 328.372 3.205 10 5 EGBERN CS(=O)(=O)c1ccccc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000301267487 308694232 /nfs/dbraw/zinc/69/42/32/308694232.db2.gz IJPLKFCNLHJHAP-UHFFFAOYSA-N 0 0 344.801 3.198 10 5 EGBERN Cc1ccc(N[C@H](C)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000301901933 308720845 /nfs/dbraw/zinc/72/08/45/308720845.db2.gz NVGUTNCGKQSILD-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@H]2CCCC[C@@H]2C1 ZINC000301907754 308721016 /nfs/dbraw/zinc/72/10/16/308721016.db2.gz ZXVLLVKAAGQNRH-NXEZZACHSA-N 0 0 326.194 3.379 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000301982156 308723976 /nfs/dbraw/zinc/72/39/76/308723976.db2.gz AGATZTFJHWJVRR-YJBOKZPZSA-N 0 0 328.368 3.277 10 5 EGBERN Cc1ccc(N2CCC[C@@H](Nc3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302020367 308725361 /nfs/dbraw/zinc/72/53/61/308725361.db2.gz DXGUEASOGRVIFN-MRXNPFEDSA-N 0 0 341.411 3.476 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)c2nc(C)cs2)c1 ZINC000302155506 308731188 /nfs/dbraw/zinc/73/11/88/308731188.db2.gz VZLPHOBTVNUSPA-SECBINFHSA-N 0 0 335.385 3.362 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302773298 308744835 /nfs/dbraw/zinc/74/48/35/308744835.db2.gz NTUUVOZXMYISMH-CYBMUJFWSA-N 0 0 325.796 3.085 10 5 EGBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000302866353 308748597 /nfs/dbraw/zinc/74/85/97/308748597.db2.gz VHGAISXGDOSRTL-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000347837698 308883429 /nfs/dbraw/zinc/88/34/29/308883429.db2.gz BTKMCSPDIYVONU-UWVGGRQHSA-N 0 0 348.346 3.486 10 5 EGBERN CO[C@H]1CCC[C@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000410705127 308920230 /nfs/dbraw/zinc/92/02/30/308920230.db2.gz OEUBZBDZRYGOSO-JSGCOSHPSA-N 0 0 343.383 3.017 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)C(C)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000410764191 308920880 /nfs/dbraw/zinc/92/08/80/308920880.db2.gz UHLPLEBADPREAY-UHFFFAOYSA-N 0 0 344.314 3.310 10 5 EGBERN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cs1 ZINC000412050961 308965697 /nfs/dbraw/zinc/96/56/97/308965697.db2.gz ADERPEZOIPHWPG-UHFFFAOYSA-N 0 0 349.412 3.331 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H](C2CCC2)C1 ZINC000412436244 308986137 /nfs/dbraw/zinc/98/61/37/308986137.db2.gz BYYJPWCHLNQXHJ-AWEZNQCLSA-N 0 0 346.408 3.451 10 5 EGBERN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000412653705 308996018 /nfs/dbraw/zinc/99/60/18/308996018.db2.gz JVXXKVUFNDCGIL-MRVPVSSYSA-N 0 0 329.278 3.394 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413172925 309019633 /nfs/dbraw/zinc/01/96/33/309019633.db2.gz GGHLGKLIBRYYIM-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000413188016 309020413 /nfs/dbraw/zinc/02/04/13/309020413.db2.gz WLAVTYJRIHWGOT-AWEZNQCLSA-N 0 0 345.321 3.406 10 5 EGBERN CO[C@H](CC(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415646578 309139967 /nfs/dbraw/zinc/13/99/67/309139967.db2.gz CMUJUIDATKOBSD-GFCCVEGCSA-N 0 0 345.193 3.357 10 5 EGBERN Cc1nn(CCC(=O)N(c2ccccc2)[C@H]2C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000415892445 309146435 /nfs/dbraw/zinc/14/64/35/309146435.db2.gz NYAOSJNQKHLLQY-WBMJQRKESA-N 0 0 342.399 3.240 10 5 EGBERN CO[C@](C)([C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000415921624 309148910 /nfs/dbraw/zinc/14/89/10/309148910.db2.gz RWCPOEWSIGTQLI-MGPLVRAMSA-N 0 0 340.807 3.490 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000416058098 309156715 /nfs/dbraw/zinc/15/67/15/309156715.db2.gz IQWOZMQJZGRWMW-UHFFFAOYSA-N 0 0 327.384 3.358 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000419017425 309259592 /nfs/dbraw/zinc/25/95/92/309259592.db2.gz ATUPEBYYVYBWCS-LBPRGKRZSA-N 0 0 348.790 3.394 10 5 EGBERN COc1cc(N2CCC[C@@H]2COc2cccnc2C)ccc1[N+](=O)[O-] ZINC000419019904 309259702 /nfs/dbraw/zinc/25/97/02/309259702.db2.gz FDLXFNPIKPHRNO-OAHLLOKOSA-N 0 0 343.383 3.355 10 5 EGBERN CCn1nncc1CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419436317 309267215 /nfs/dbraw/zinc/26/72/15/309267215.db2.gz LTRUDMXLZXNWKO-UHFFFAOYSA-N 0 0 345.384 3.295 10 5 EGBERN CCc1[nH]nc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1[N+](=O)[O-] ZINC000420501701 309288560 /nfs/dbraw/zinc/28/85/60/309288560.db2.gz IHIQJIPYMYLTID-WDEREUQCSA-N 0 0 325.328 3.201 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000420797499 309295317 /nfs/dbraw/zinc/29/53/17/309295317.db2.gz HBKRPVPQATZCPI-BPLDGKMQSA-N 0 0 335.404 3.221 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000421571165 309330193 /nfs/dbraw/zinc/33/01/93/309330193.db2.gz VCFIKUOKJHDBQX-PBHICJAKSA-N 0 0 334.416 3.393 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000421664131 309333470 /nfs/dbraw/zinc/33/34/70/309333470.db2.gz ASEFZIZGWFVJFW-DGCLKSJQSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421673149 309334028 /nfs/dbraw/zinc/33/40/28/309334028.db2.gz WXQBBISYLNKUGF-YPMHNXCESA-N 0 0 338.379 3.085 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000421676191 309334092 /nfs/dbraw/zinc/33/40/92/309334092.db2.gz NQEGOVOPNPVPIO-MNOVXSKESA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000421674245 309334140 /nfs/dbraw/zinc/33/41/40/309334140.db2.gz ZVFWELDAPPLQFA-VXGBXAGGSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000421901909 309345868 /nfs/dbraw/zinc/34/58/68/309345868.db2.gz BKAVVTOMNMLKIP-CQSZACIVSA-N 0 0 344.342 3.084 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)CC[C@H]1C ZINC000422133383 309355251 /nfs/dbraw/zinc/35/52/51/309355251.db2.gz XUBJLDWFVKXNGI-DGCLKSJQSA-N 0 0 338.429 3.082 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000422238830 309358979 /nfs/dbraw/zinc/35/89/79/309358979.db2.gz MAYBHHYKZPWNNK-YOEHRIQHSA-N 0 0 347.415 3.226 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)(C)C ZINC000425033482 309463163 /nfs/dbraw/zinc/46/31/63/309463163.db2.gz DYSOIPXKIBRCOH-SWLSCSKDSA-N 0 0 348.399 3.177 10 5 EGBERN O=c1c(Cl)c(N[C@@H]2C[C@H]3C[C@H]3C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000425303055 309472058 /nfs/dbraw/zinc/47/20/58/309472058.db2.gz OGTJDTWDSGHDFE-JGPRNRPPSA-N 0 0 346.774 3.005 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(CC(F)F)C1 ZINC000425672963 309490160 /nfs/dbraw/zinc/49/01/60/309490160.db2.gz MDLIQANDBHTWCN-UHFFFAOYSA-N 0 0 329.303 3.112 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CCCC2 ZINC000428936717 309565097 /nfs/dbraw/zinc/56/50/97/309565097.db2.gz BOQMQBZPZQQASV-CQSZACIVSA-N 0 0 337.807 3.423 10 5 EGBERN Cc1cc(OCC(=O)NC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000430681495 309614705 /nfs/dbraw/zinc/61/47/05/309614705.db2.gz BVFBQVKKJNCHHH-VMPITWQZSA-N 0 0 326.352 3.112 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000431155669 309626793 /nfs/dbraw/zinc/62/67/93/309626793.db2.gz HXCUYNMXQIRFSH-QWHCGFSZSA-N 0 0 329.381 3.247 10 5 EGBERN CC[C@H]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000431495856 309634318 /nfs/dbraw/zinc/63/43/18/309634318.db2.gz QRMUONDOCNTASN-HAQNSBGRSA-N 0 0 326.418 3.379 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000432317049 309657062 /nfs/dbraw/zinc/65/70/62/309657062.db2.gz DMDCJWYJHDNRAV-ZDUSSCGKSA-N 0 0 338.429 3.165 10 5 EGBERN CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000434342244 309709403 /nfs/dbraw/zinc/70/94/03/309709403.db2.gz PXPREZLIWWMRIH-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435603513 309736002 /nfs/dbraw/zinc/73/60/02/309736002.db2.gz JJGFEGFOZYAJQS-UMSPYCQHSA-N 0 0 346.774 3.100 10 5 EGBERN COC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435944478 309743644 /nfs/dbraw/zinc/74/36/44/309743644.db2.gz GQDWVQMRBUSQEM-LLVKDONJSA-N 0 0 336.348 3.243 10 5 EGBERN Cc1nn([C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000436473654 309756390 /nfs/dbraw/zinc/75/63/90/309756390.db2.gz KGGGTPGVQAXYAM-SSDOTTSWSA-N 0 0 344.158 3.001 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000438480868 309815177 /nfs/dbraw/zinc/81/51/77/309815177.db2.gz GIYJGFOGLMXMJD-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000438594850 309818216 /nfs/dbraw/zinc/81/82/16/309818216.db2.gz DTACWCUOBIFHMW-JTQLQIEISA-N 0 0 341.323 3.236 10 5 EGBERN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1cccnc1C ZINC000439239373 309828991 /nfs/dbraw/zinc/82/89/91/309828991.db2.gz RFIZYWJDEFYWDA-UHFFFAOYSA-N 0 0 329.356 3.282 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(n1)CCCC2 ZINC000442422387 309881548 /nfs/dbraw/zinc/88/15/48/309881548.db2.gz USNQIPIUWAPVBL-LBPRGKRZSA-N 0 0 337.379 3.460 10 5 EGBERN C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000442784340 309887016 /nfs/dbraw/zinc/88/70/16/309887016.db2.gz VMUAZEQWTVLVKQ-ZDUSSCGKSA-N 0 0 342.461 3.477 10 5 EGBERN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444890954 309932865 /nfs/dbraw/zinc/93/28/65/309932865.db2.gz YLHMIAJXMLBIDY-VIFPVBQESA-N 0 0 345.384 3.093 10 5 EGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000445663597 309945209 /nfs/dbraw/zinc/94/52/09/309945209.db2.gz AGSPYSCNWZUGHW-OPRDCNLKSA-N 0 0 329.194 3.359 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446100791 309955920 /nfs/dbraw/zinc/95/59/20/309955920.db2.gz QOUZEXSVQVAAIO-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN CC[C@@H](C[C@H](C)CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446174076 309957670 /nfs/dbraw/zinc/95/76/70/309957670.db2.gz APSADVHYVZAZFK-CABZTGNLSA-N 0 0 328.796 3.084 10 5 EGBERN Cc1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000447064277 309972998 /nfs/dbraw/zinc/97/29/98/309972998.db2.gz WAAWCWPIKHRREZ-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447686501 309985667 /nfs/dbraw/zinc/98/56/67/309985667.db2.gz QSHIFKZUGLAXRY-HWPZZCPQSA-N 0 0 344.346 3.220 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1noc(C2CC2)n1 ZINC000449303611 310051904 /nfs/dbraw/zinc/05/19/04/310051904.db2.gz XHXBWZCRBYVELX-UKRRQHHQSA-N 0 0 342.399 3.356 10 5 EGBERN Cn1ccnc1[C@H](NCCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449349800 310055853 /nfs/dbraw/zinc/05/58/53/310055853.db2.gz HZWVDUKFHRIJGV-CQSZACIVSA-N 0 0 338.358 3.443 10 5 EGBERN CCc1ccc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])cc1OC ZINC000449655333 310078020 /nfs/dbraw/zinc/07/80/20/310078020.db2.gz YQQRACWKNNWDFL-UHFFFAOYSA-N 0 0 332.356 3.492 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000449742942 310083718 /nfs/dbraw/zinc/08/37/18/310083718.db2.gz SMVVKMOZCFYUDA-BHYGNILZSA-N 0 0 326.400 3.053 10 5 EGBERN CC[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000450054050 310100946 /nfs/dbraw/zinc/10/09/46/310100946.db2.gz VIQLNYRTBQMJHY-OAHLLOKOSA-N 0 0 342.399 3.088 10 5 EGBERN C[C@H](O)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450331764 310115957 /nfs/dbraw/zinc/11/59/57/310115957.db2.gz CLCMQRHLVPSOLX-NSHDSACASA-N 0 0 333.413 3.316 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000450535388 310128755 /nfs/dbraw/zinc/12/87/55/310128755.db2.gz MRPUXHBPHOWNIR-HDJSIYSDSA-N 0 0 344.419 3.350 10 5 EGBERN CC(F)(F)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450554921 310129842 /nfs/dbraw/zinc/12/98/42/310129842.db2.gz LMGMLFQQHSVFRH-UHFFFAOYSA-N 0 0 327.331 3.334 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccccc1OC1CC1)CC2 ZINC000450696429 310137958 /nfs/dbraw/zinc/13/79/58/310137958.db2.gz SNQHDELNDGREMW-UHFFFAOYSA-N 0 0 325.368 3.089 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OCCOC(C)C)CC2)n1 ZINC000450901147 310148814 /nfs/dbraw/zinc/14/88/14/310148814.db2.gz HHLLWRQDIWQGKV-UHFFFAOYSA-N 0 0 337.420 3.017 10 5 EGBERN Cc1nn(CC[S@@](=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000450955097 310152011 /nfs/dbraw/zinc/15/20/11/310152011.db2.gz CXAIOOSNXVVSCL-OAQYLSRUSA-N 0 0 348.211 3.214 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451187578 310164833 /nfs/dbraw/zinc/16/48/33/310164833.db2.gz GKETUJIXYSJDFX-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC12CCCC2 ZINC000451197623 310165486 /nfs/dbraw/zinc/16/54/86/310165486.db2.gz SBVWVRQYWMMWRR-INIZCTEOSA-N 0 0 330.384 3.397 10 5 EGBERN CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451717999 310194470 /nfs/dbraw/zinc/19/44/70/310194470.db2.gz DBCRXRVOORQDKL-CYBMUJFWSA-N 0 0 332.447 3.246 10 5 EGBERN Cc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000452073449 310210240 /nfs/dbraw/zinc/21/02/40/310210240.db2.gz YVGCNDPVNJKYAL-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN C[C@@H](C(=O)NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000452196507 310217992 /nfs/dbraw/zinc/21/79/92/310217992.db2.gz DQBFSVNFZJSURR-GFCCVEGCSA-N 0 0 338.379 3.160 10 5 EGBERN CC(F)(F)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000452195750 310218006 /nfs/dbraw/zinc/21/80/06/310218006.db2.gz BIENRMIFNDEFAD-UHFFFAOYSA-N 0 0 341.358 3.360 10 5 EGBERN CC(C)(C(=O)NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452203889 310218515 /nfs/dbraw/zinc/21/85/15/310218515.db2.gz CRCZZYXXNOFJTP-UHFFFAOYSA-N 0 0 334.416 3.195 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000452532203 310231780 /nfs/dbraw/zinc/23/17/80/310231780.db2.gz RDPYBAWVGLHFPO-UWVGGRQHSA-N 0 0 333.310 3.174 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452603618 310234310 /nfs/dbraw/zinc/23/43/10/310234310.db2.gz SQUBUYGKHNBPAF-RYRUWHOVSA-N 0 0 337.379 3.360 10 5 EGBERN COCc1ccc(CNc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 ZINC000453114907 310258817 /nfs/dbraw/zinc/25/88/17/310258817.db2.gz HWHOEPQONJCYNM-UHFFFAOYSA-N 0 0 344.367 3.448 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000456163223 310391454 /nfs/dbraw/zinc/39/14/54/310391454.db2.gz WTHOYEYPYIPZJY-NSHDSACASA-N 0 0 328.315 3.159 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000456170937 310391828 /nfs/dbraw/zinc/39/18/28/310391828.db2.gz BYCMVKRPGXVRNB-LBPRGKRZSA-N 0 0 335.404 3.416 10 5 EGBERN CCc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000456589427 310413746 /nfs/dbraw/zinc/41/37/46/310413746.db2.gz DOGDULVPLKOJJN-UHFFFAOYSA-N 0 0 332.360 3.265 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnn1CC(F)(F)F ZINC000459955482 310578374 /nfs/dbraw/zinc/57/83/74/310578374.db2.gz VZRXOJAUBZZWMN-UHFFFAOYSA-N 0 0 342.277 3.223 10 5 EGBERN O=C(COc1c(F)cccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000463563434 310614196 /nfs/dbraw/zinc/61/41/96/310614196.db2.gz OVLQRQJNOBYXID-UHFFFAOYSA-N 0 0 348.374 3.198 10 5 EGBERN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000468583996 310690926 /nfs/dbraw/zinc/69/09/26/310690926.db2.gz HCSMGDJYPZKYLP-CQSZACIVSA-N 0 0 342.399 3.016 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000469865258 310712545 /nfs/dbraw/zinc/71/25/45/310712545.db2.gz VDPGLDYWRMMKKJ-UHFFFAOYSA-N 0 0 341.411 3.306 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471740959 310745115 /nfs/dbraw/zinc/74/51/15/310745115.db2.gz ZCPAWTJYMBNVSJ-GXFFZTMASA-N 0 0 345.321 3.120 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000472240012 310761610 /nfs/dbraw/zinc/76/16/10/310761610.db2.gz MODSGFXGHUMANX-ZDUSSCGKSA-N 0 0 326.352 3.199 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1O ZINC000473517185 310776108 /nfs/dbraw/zinc/77/61/08/310776108.db2.gz HGWRTPPFXCRZPY-BBRMVZONSA-N 0 0 329.400 3.376 10 5 EGBERN COc1cc2c(cc1F)CN(c1cccc(OC)c1[N+](=O)[O-])CC2 ZINC000479479466 310875862 /nfs/dbraw/zinc/87/58/62/310875862.db2.gz YKPZTWBRTSRCBR-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN CCOC(=O)[C@H](C)N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417648 310977445 /nfs/dbraw/zinc/97/74/45/310977445.db2.gz RMRUDKZSJCPVEV-NSHDSACASA-N 0 0 347.346 3.184 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000487140673 311012226 /nfs/dbraw/zinc/01/22/26/311012226.db2.gz GGCWCMRPGPUZQY-UXIGCNINSA-N 0 0 347.415 3.193 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@@H](c4ccccc4)C3)nn21 ZINC000487158996 311012961 /nfs/dbraw/zinc/01/29/61/311012961.db2.gz WAMSUQBRDVLDBM-HUUCEWRRSA-N 0 0 337.383 3.198 10 5 EGBERN COc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])cc1OC ZINC000487934698 311043520 /nfs/dbraw/zinc/04/35/20/311043520.db2.gz PCLBTCCOJRBESO-UHFFFAOYSA-N 0 0 325.324 3.326 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487996830 311046723 /nfs/dbraw/zinc/04/67/23/311046723.db2.gz DKUOALMSAHSVJD-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN Cn1nccc1[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488088587 311050840 /nfs/dbraw/zinc/05/08/40/311050840.db2.gz LTALZRIGYYXSHH-ZDUSSCGKSA-N 0 0 337.383 3.261 10 5 EGBERN Cc1cccc2[nH]c(CNc3c4ccccc4ncc3[N+](=O)[O-])nc21 ZINC000488107825 311051747 /nfs/dbraw/zinc/05/17/47/311051747.db2.gz YZDDUQGJUCMQCS-UHFFFAOYSA-N 0 0 333.351 3.362 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000488323904 311061060 /nfs/dbraw/zinc/06/10/60/311061060.db2.gz ARVXQJGVEGZFHR-BZBKMWRSSA-N 0 0 327.287 3.116 10 5 EGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488987566 311088338 /nfs/dbraw/zinc/08/83/38/311088338.db2.gz UFWSPEKRFNACEJ-GFCCVEGCSA-N 0 0 339.342 3.477 10 5 EGBERN CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000490477900 311142528 /nfs/dbraw/zinc/14/25/28/311142528.db2.gz NVAPCMXLYRJFOE-UHFFFAOYSA-N 0 0 344.389 3.009 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C2(C)CCCC2)cc1OC ZINC000490707566 311150170 /nfs/dbraw/zinc/15/01/70/311150170.db2.gz VGTCUSXOERNXFJ-UHFFFAOYSA-N 0 0 336.388 3.407 10 5 EGBERN CO[C@@H](C)CN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000493079727 311324578 /nfs/dbraw/zinc/32/45/78/311324578.db2.gz MZAWBCODSRCXAR-UONOGXRCSA-N 0 0 337.420 3.419 10 5 EGBERN COc1ccc(N(C#N)CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000502425200 311964786 /nfs/dbraw/zinc/96/47/86/311964786.db2.gz NLMXKLKKHJMJPB-UHFFFAOYSA-N 0 0 345.742 3.427 10 5 EGBERN CCc1cccc(CC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000507517025 312076041 /nfs/dbraw/zinc/07/60/41/312076041.db2.gz KRKXCBRVGXTCPC-UHFFFAOYSA-N 0 0 342.351 3.125 10 5 EGBERN CN(C[C@@H]1CC=CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000508777857 312102932 /nfs/dbraw/zinc/10/29/32/312102932.db2.gz IVCIYSNUEPCFRG-CYBMUJFWSA-N 0 0 327.388 3.183 10 5 EGBERN O=C([C@H]1C[C@@H]1C(F)F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000509992774 312130155 /nfs/dbraw/zinc/13/01/55/312130155.db2.gz BJDJJIXIGDLYDQ-MJVIPROJSA-N 0 0 328.340 3.070 10 5 EGBERN C[C@@H]1C[C@@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000515090895 312265323 /nfs/dbraw/zinc/26/53/23/312265323.db2.gz PZXIVZADUVMNOH-UMVBOHGHSA-N 0 0 331.416 3.217 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCC[C@H]12 ZINC000516710390 312338722 /nfs/dbraw/zinc/33/87/22/312338722.db2.gz PIBCCRUZXHEBTO-IJLUTSLNSA-N 0 0 344.458 3.246 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000517035346 312360341 /nfs/dbraw/zinc/36/03/41/312360341.db2.gz GHDUUQABWVFPIN-RISCZKNCSA-N 0 0 340.445 3.234 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000519704875 312472608 /nfs/dbraw/zinc/47/26/08/312472608.db2.gz JVBGXKIWVHVJBG-NVGCLXPQSA-N 0 0 346.358 3.076 10 5 EGBERN CCCCN(CC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000520677898 312515722 /nfs/dbraw/zinc/51/57/22/312515722.db2.gz ZFSPSPHVOBJRBT-UHFFFAOYSA-N 0 0 332.404 3.450 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000522119941 312575957 /nfs/dbraw/zinc/57/59/57/312575957.db2.gz OCOPBDKWQCKGIJ-LBPRGKRZSA-N 0 0 346.387 3.262 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000523523897 312624468 /nfs/dbraw/zinc/62/44/68/312624468.db2.gz BFMDQAXVJGCKEE-LLVKDONJSA-N 0 0 330.381 3.077 10 5 EGBERN CCOc1cc(NC(=O)N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000527070119 312824291 /nfs/dbraw/zinc/82/42/91/312824291.db2.gz IIPFBCHSOZWPFC-PHIMTYICSA-N 0 0 337.376 3.407 10 5 EGBERN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc2cc1F ZINC000527281455 312849729 /nfs/dbraw/zinc/84/97/29/312849729.db2.gz LFKZQXKNHVUVIQ-UHFFFAOYSA-N 0 0 332.316 3.299 10 5 EGBERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531626853 313692849 /nfs/dbraw/zinc/69/28/49/313692849.db2.gz HRKLFXGCHNWUJY-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN COC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000532112588 313756240 /nfs/dbraw/zinc/75/62/40/313756240.db2.gz VKNNAIACDBRYTJ-UHFFFAOYSA-N 0 0 326.355 3.065 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000532392099 313793360 /nfs/dbraw/zinc/79/33/60/313793360.db2.gz LNWFCNPTUFFPHO-MRXNPFEDSA-N 0 0 341.367 3.426 10 5 EGBERN C[C@@H](O)C(C)(C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000535689383 314060130 /nfs/dbraw/zinc/06/01/30/314060130.db2.gz HASUXSAHPZZZOS-GFCCVEGCSA-N 0 0 328.368 3.397 10 5 EGBERN CCOc1ccc(C(=O)NCCc2sccc2C)cc1[N+](=O)[O-] ZINC000537999626 314223189 /nfs/dbraw/zinc/22/31/89/314223189.db2.gz DZUBSQCLTKBFEZ-UHFFFAOYSA-N 0 0 334.397 3.336 10 5 EGBERN C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000540425696 314379947 /nfs/dbraw/zinc/37/99/47/314379947.db2.gz CAQOIMGYIMNUKM-GFCCVEGCSA-N 0 0 347.802 3.215 10 5 EGBERN CCOC(=O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542701755 314570705 /nfs/dbraw/zinc/57/07/05/314570705.db2.gz KCHMZJMSSKUYBF-UHFFFAOYSA-N 0 0 342.395 3.469 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000542837673 314586940 /nfs/dbraw/zinc/58/69/40/314586940.db2.gz RMEWIAACALTPNT-CABCVRRESA-N 0 0 340.383 3.260 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1 ZINC000544739944 314714540 /nfs/dbraw/zinc/71/45/40/314714540.db2.gz VGRGEVABBNODNL-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN Cc1cc(S(=O)(=O)NC2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000545896563 314789173 /nfs/dbraw/zinc/78/91/73/314789173.db2.gz IEBGUMOHKWGSDO-UHFFFAOYSA-N 0 0 346.408 3.128 10 5 EGBERN Cc1noc(C2CC2)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546639296 314842025 /nfs/dbraw/zinc/84/20/25/314842025.db2.gz NRHNCASFEQGSTA-UHFFFAOYSA-N 0 0 342.355 3.359 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000548334293 314995596 /nfs/dbraw/zinc/99/55/96/314995596.db2.gz XJLDTYNJQCTRGW-CYBMUJFWSA-N 0 0 342.399 3.130 10 5 EGBERN CCc1cnc(N2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)s1 ZINC000549524130 315095003 /nfs/dbraw/zinc/09/50/03/315095003.db2.gz QQQHHHNDMZMZTM-UHFFFAOYSA-N 0 0 332.429 3.249 10 5 EGBERN CN(Cc1c(F)cccc1F)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000549605195 315098960 /nfs/dbraw/zinc/09/89/60/315098960.db2.gz FQRPAUDGHWOLNQ-UHFFFAOYSA-N 0 0 346.293 3.158 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551966876 315183336 /nfs/dbraw/zinc/18/33/36/315183336.db2.gz LOQYEGPSHINPCZ-YUMQZZPRSA-N 0 0 328.166 3.372 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000551966129 315183435 /nfs/dbraw/zinc/18/34/35/315183435.db2.gz JOOUHSKHYWRASW-QGZVFWFLSA-N 0 0 335.404 3.271 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552170144 315203351 /nfs/dbraw/zinc/20/33/51/315203351.db2.gz JFIROZGCNDCTLU-GHMZBOCLSA-N 0 0 346.305 3.068 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553108590 315245429 /nfs/dbraw/zinc/24/54/29/315245429.db2.gz PICZGBZCJJVTHF-GFCCVEGCSA-N 0 0 331.347 3.433 10 5 EGBERN CCC1(CC)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000556759706 315461766 /nfs/dbraw/zinc/46/17/66/315461766.db2.gz XGAJRIYZVMWEKG-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000557426525 315510139 /nfs/dbraw/zinc/51/01/39/315510139.db2.gz MNMVZRJQLSBRAD-UHFFFAOYSA-N 0 0 333.388 3.245 10 5 EGBERN CCc1noc(C)c1-c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000559914893 315650210 /nfs/dbraw/zinc/65/02/10/315650210.db2.gz DXEDBIGBZANRBY-UHFFFAOYSA-N 0 0 328.328 3.289 10 5 EGBERN CN(CCCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561118704 315741979 /nfs/dbraw/zinc/74/19/79/315741979.db2.gz HYAATZFHOIOBGI-UHFFFAOYSA-N 0 0 338.367 3.313 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563341520 316001624 /nfs/dbraw/zinc/00/16/24/316001624.db2.gz RDGUISZQOJBMGV-GFCCVEGCSA-N 0 0 344.415 3.449 10 5 EGBERN Cc1ccoc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563818680 316074314 /nfs/dbraw/zinc/07/43/14/316074314.db2.gz UQYSYULEKGHYNB-UHFFFAOYSA-N 0 0 342.355 3.019 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCS1 ZINC000564145330 316117587 /nfs/dbraw/zinc/11/75/87/316117587.db2.gz TUZLKXCXDDBCMZ-OAHLLOKOSA-N 0 0 333.413 3.021 10 5 EGBERN CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000564230155 316126757 /nfs/dbraw/zinc/12/67/57/316126757.db2.gz MHVNUCTZRFCGKL-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN C[C@H](C(=O)N[C@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000564720706 316193912 /nfs/dbraw/zinc/19/39/12/316193912.db2.gz GZFKLMJBZSAJFU-SJCJKPOMSA-N 0 0 325.368 3.361 10 5 EGBERN C[C@@H](C(=O)N[C@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000564720704 316194246 /nfs/dbraw/zinc/19/42/46/316194246.db2.gz GZFKLMJBZSAJFU-PXAZEXFGSA-N 0 0 325.368 3.361 10 5 EGBERN CC(C)(COCC(F)F)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000564756663 316199110 /nfs/dbraw/zinc/19/91/10/316199110.db2.gz VUTOWBLTBVVVDE-UHFFFAOYSA-N 0 0 341.314 3.128 10 5 EGBERN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000565487903 316331113 /nfs/dbraw/zinc/33/11/13/316331113.db2.gz DQFYVGHOTAPTAR-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000565981224 316396900 /nfs/dbraw/zinc/39/69/00/316396900.db2.gz XSUVBRHRSUWSJV-GDBMZVCRSA-N 0 0 349.431 3.418 10 5 EGBERN CC1(C)CCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566936759 316546253 /nfs/dbraw/zinc/54/62/53/316546253.db2.gz XVYMZTDYZKVOFC-INIZCTEOSA-N 0 0 344.415 3.497 10 5 EGBERN O=C(NCC[C@H]1CCCCO1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569392608 316907203 /nfs/dbraw/zinc/90/72/03/316907203.db2.gz RZYQGJJCAAFEAK-SNVBAGLBSA-N 0 0 346.305 3.303 10 5 EGBERN O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571834217 317253936 /nfs/dbraw/zinc/25/39/36/317253936.db2.gz FKIYFSNXVYIQNU-GHMZBOCLSA-N 0 0 328.290 3.463 10 5 EGBERN Cc1ccccc1C[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000572795973 317392428 /nfs/dbraw/zinc/39/24/28/317392428.db2.gz VDAGEARHCCPRAK-LBPRGKRZSA-N 0 0 348.349 3.471 10 5 EGBERN C[C@H](O)[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984960 317421058 /nfs/dbraw/zinc/42/10/58/317421058.db2.gz UCVHAPYQYXACBU-PBQZTSCYSA-N 0 0 330.359 3.433 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCc3n[nH]cc32)n1 ZINC000574004438 317550567 /nfs/dbraw/zinc/55/05/67/317550567.db2.gz BTUOMHBMUVLSLE-LBPRGKRZSA-N 0 0 325.328 3.145 10 5 EGBERN O=C(NC/C=C/c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171994001 323265166 /nfs/dbraw/zinc/26/51/66/323265166.db2.gz AZPMZGQEVUKGMW-VMPITWQZSA-N 0 0 348.362 3.224 10 5 EGBERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000182841010 323578150 /nfs/dbraw/zinc/57/81/50/323578150.db2.gz AVCBHDIJTNWFRJ-ZDUSSCGKSA-N 0 0 338.371 3.360 10 5 EGBERN CC(=O)c1cnc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000184019416 323639377 /nfs/dbraw/zinc/63/93/77/323639377.db2.gz LFFGAORFUCUNBZ-ZETCQYMHSA-N 0 0 337.332 3.135 10 5 EGBERN COC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185650164 323706161 /nfs/dbraw/zinc/70/61/61/323706161.db2.gz CCQMOFFWXFIYFF-UHFFFAOYSA-N 0 0 334.759 3.325 10 5 EGBERN CCOc1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc1[N+](=O)[O-] ZINC000350605033 324104818 /nfs/dbraw/zinc/10/48/18/324104818.db2.gz XOZWDPQZGAZOIL-JQWIXIFHSA-N 0 0 333.344 3.184 10 5 EGBERN C[C@@H]1CCn2ncc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C1 ZINC000351321819 324225748 /nfs/dbraw/zinc/22/57/48/324225748.db2.gz GLXMEKOWHAPBPM-SNVBAGLBSA-N 0 0 325.328 3.091 10 5 EGBERN CNc1ccc(C(=O)NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000577006124 324724439 /nfs/dbraw/zinc/72/44/39/324724439.db2.gz RKLJANRLGAQIQF-UHFFFAOYSA-N 0 0 325.368 3.444 10 5 EGBERN CC(C)(C)[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577537694 324824025 /nfs/dbraw/zinc/82/40/25/324824025.db2.gz NVDRSQAIQQNJTP-AWEZNQCLSA-N 0 0 326.343 3.453 10 5 EGBERN COc1ccc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)cc1O ZINC000578982532 325045992 /nfs/dbraw/zinc/04/59/92/325045992.db2.gz IUDQBFXJAMQJSL-UHFFFAOYSA-N 0 0 343.383 3.219 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000579026237 325052118 /nfs/dbraw/zinc/05/21/18/325052118.db2.gz UATSFYBSOJIGJD-DIFFPNOSSA-N 0 0 340.383 3.225 10 5 EGBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000579112114 325064304 /nfs/dbraw/zinc/06/43/04/325064304.db2.gz HWDNQIGOCNIFPR-ZWNOBZJWSA-N 0 0 348.355 3.049 10 5 EGBERN COc1cccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1OC ZINC000579585836 325130959 /nfs/dbraw/zinc/13/09/59/325130959.db2.gz VFOVDWSMVYTROA-UHFFFAOYSA-N 0 0 343.383 3.498 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000580902246 325307854 /nfs/dbraw/zinc/30/78/54/325307854.db2.gz GODZQDGRHVJFDA-ZIAGYGMSSA-N 0 0 335.404 3.030 10 5 EGBERN Cc1nc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)co1 ZINC000581677049 325382380 /nfs/dbraw/zinc/38/23/80/325382380.db2.gz PDHVPMZTDWUIDK-UHFFFAOYSA-N 0 0 349.368 3.123 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000189618029 455223867 /nfs/dbraw/zinc/22/38/67/455223867.db2.gz LBFHGMKFCQAYMO-JTQLQIEISA-N 0 0 347.396 3.211 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C12CC(c3ccccc3)(C1)C2 ZINC000616408262 460549402 /nfs/dbraw/zinc/54/94/02/460549402.db2.gz FYNQWSXKKCCTBI-UHFFFAOYSA-N 0 0 336.391 3.375 10 5 EGBERN Nc1c(C(=O)NCC2(C(F)(F)F)CCCC2)cccc1[N+](=O)[O-] ZINC000600692747 460571273 /nfs/dbraw/zinc/57/12/73/460571273.db2.gz CZILLHOWFHICSN-UHFFFAOYSA-N 0 0 331.294 3.030 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600775974 460598384 /nfs/dbraw/zinc/59/83/84/460598384.db2.gz UVXWFSFZRSJVJV-INIZCTEOSA-N 0 0 340.379 3.249 10 5 EGBERN CC(C)c1cc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000012944156 453429393 /nfs/dbraw/zinc/42/93/93/453429393.db2.gz YEBRHVHNGZZZRZ-UHFFFAOYSA-N 0 0 339.735 3.377 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NC2(C)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000612335400 460599140 /nfs/dbraw/zinc/59/91/40/460599140.db2.gz POWSQDMXKAARMT-UHFFFAOYSA-N 0 0 330.335 3.139 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000015629565 453580064 /nfs/dbraw/zinc/58/00/64/453580064.db2.gz FWCMHNLLMDLUDY-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1cn2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)csc2n1 ZINC000025050537 453756613 /nfs/dbraw/zinc/75/66/13/453756613.db2.gz PVIGUCBIKLUZAK-UHFFFAOYSA-N 0 0 330.369 3.102 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OC[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000025397150 453769992 /nfs/dbraw/zinc/76/99/92/453769992.db2.gz PWKGYMOFCJXUKO-HIFRSBDPSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1c(NCC(=O)N[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000025604272 453779250 /nfs/dbraw/zinc/77/92/50/453779250.db2.gz MJGVEHSQOCQOCM-GFCCVEGCSA-N 0 0 331.347 3.332 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000026716624 453804257 /nfs/dbraw/zinc/80/42/57/453804257.db2.gz LAMDACZUOQITFZ-UHFFFAOYSA-N 0 0 325.796 3.307 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000029940378 453832767 /nfs/dbraw/zinc/83/27/67/453832767.db2.gz BTNUFZKYNLTACB-VIFPVBQESA-N 0 0 344.776 3.189 10 5 EGBERN Cc1c(NC(=O)CCc2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000032659986 453881768 /nfs/dbraw/zinc/88/17/68/453881768.db2.gz QRKFTSNBCANUBV-UHFFFAOYSA-N 0 0 332.360 3.155 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000054055973 453908198 /nfs/dbraw/zinc/90/81/98/453908198.db2.gz UFMMJQDCAFUNGT-CQSZACIVSA-N 0 0 345.378 3.393 10 5 EGBERN Cc1cccc(CN2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000054153068 453913861 /nfs/dbraw/zinc/91/38/61/453913861.db2.gz MFHVXXLZTCRFGW-UHFFFAOYSA-N 0 0 331.441 3.283 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000067293914 453919267 /nfs/dbraw/zinc/91/92/67/453919267.db2.gz TYZQQIHLVQUGPD-ZDUSSCGKSA-N 0 0 343.383 3.283 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1ccccc1 ZINC000067516098 453937634 /nfs/dbraw/zinc/93/76/34/453937634.db2.gz MGKOIQVEJLQSDU-CABCVRRESA-N 0 0 326.352 3.036 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCN(c4ccccc4)CC3)nc2c1 ZINC000083127007 453939225 /nfs/dbraw/zinc/93/92/25/453939225.db2.gz MOUZEEGQCGPHLS-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067559967 453943223 /nfs/dbraw/zinc/94/32/23/453943223.db2.gz ASDCDQXPSAJJBJ-CABCVRRESA-N 0 0 329.331 3.089 10 5 EGBERN O=C(c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000067949572 453983263 /nfs/dbraw/zinc/98/32/63/453983263.db2.gz FFTHKBPFUIZWBO-UHFFFAOYSA-N 0 0 347.415 3.059 10 5 EGBERN COc1ccc(OCc2noc(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000068043845 453991105 /nfs/dbraw/zinc/99/11/05/453991105.db2.gz IANQJPMJUGPOPE-UHFFFAOYSA-N 0 0 341.323 3.156 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CNc1cc([N+](=O)[O-])ccc1C ZINC000055618776 453999603 /nfs/dbraw/zinc/99/96/03/453999603.db2.gz GILGZLGWLDKBGL-UHFFFAOYSA-N 0 0 327.384 3.364 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000076923378 454049254 /nfs/dbraw/zinc/04/92/54/454049254.db2.gz HACQOEGXYITERW-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000076923519 454049464 /nfs/dbraw/zinc/04/94/64/454049464.db2.gz RUCHSXITMAQLQE-UHFFFAOYSA-N 0 0 347.396 3.227 10 5 EGBERN O=c1[nH]cnc2cc(NCCCc3cccc(F)c3)c([N+](=O)[O-])cc12 ZINC000068766103 454051419 /nfs/dbraw/zinc/05/14/19/454051419.db2.gz RSWYGYZWCFWZJJ-UHFFFAOYSA-N 0 0 342.330 3.015 10 5 EGBERN CC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000068770228 454051748 /nfs/dbraw/zinc/05/17/48/454051748.db2.gz GWTJMDUFAHURCN-MRXNPFEDSA-N 0 0 339.351 3.015 10 5 EGBERN Cc1sc(C(=O)N2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-] ZINC000068859652 454060598 /nfs/dbraw/zinc/06/05/98/454060598.db2.gz ZRLRBXAARNBLEZ-UHFFFAOYSA-N 0 0 331.397 3.057 10 5 EGBERN COc1cc(C)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000087142599 454065899 /nfs/dbraw/zinc/06/58/99/454065899.db2.gz KULOHVREUMJCBC-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000077521426 454116903 /nfs/dbraw/zinc/11/69/03/454116903.db2.gz JATFTAKNPQPGML-MRXNPFEDSA-N 0 0 341.367 3.145 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000182025711 455419036 /nfs/dbraw/zinc/41/90/36/455419036.db2.gz CYMJCUOJFIEJJZ-LJQANCHMSA-N 0 0 339.395 3.322 10 5 EGBERN C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000077780086 454155248 /nfs/dbraw/zinc/15/52/48/454155248.db2.gz GFXAQZQEUJRICW-CXAGYDPISA-N 0 0 343.383 3.079 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cc(F)ccc1F ZINC000130255138 454184918 /nfs/dbraw/zinc/18/49/18/454184918.db2.gz SGYSWEDZKPHFMC-HNNXBMFYSA-N 0 0 335.310 3.458 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cc(F)cc2cccnc21 ZINC000046029434 454208446 /nfs/dbraw/zinc/20/84/46/454208446.db2.gz RLZWUKPCBIGRHE-UHFFFAOYSA-N 0 0 339.282 3.238 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000089835847 454212651 /nfs/dbraw/zinc/21/26/51/454212651.db2.gz GVDAOTDDHOJNIU-UONOGXRCSA-N 0 0 346.333 3.335 10 5 EGBERN CCNc1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000058716765 454228723 /nfs/dbraw/zinc/22/87/23/454228723.db2.gz XJKMLCKBAKRESH-UHFFFAOYSA-N 0 0 341.367 3.238 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1c2ccccc2SC[C@@H]1C ZINC000095988341 454253131 /nfs/dbraw/zinc/25/31/31/454253131.db2.gz VOLRZVNNWAEYEW-JTQLQIEISA-N 0 0 346.412 3.261 10 5 EGBERN Cc1ccnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)n1 ZINC000095986945 454253638 /nfs/dbraw/zinc/25/36/38/454253638.db2.gz KJBGESIJACPIJK-AWEZNQCLSA-N 0 0 346.774 3.228 10 5 EGBERN O=C(C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000095997062 454257788 /nfs/dbraw/zinc/25/77/88/454257788.db2.gz DJAOWMWKMXZRFO-SNVBAGLBSA-N 0 0 335.747 3.478 10 5 EGBERN Cc1c(CSc2nnnn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000046875991 454295425 /nfs/dbraw/zinc/29/54/25/454295425.db2.gz HWEZTHCJYGMFFO-UHFFFAOYSA-N 0 0 341.396 3.230 10 5 EGBERN Cc1cnc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000078668680 454295906 /nfs/dbraw/zinc/29/59/06/454295906.db2.gz HNMBHBIXAIZZDL-WBMJQRKESA-N 0 0 331.347 3.404 10 5 EGBERN Cc1cc(NCC(C)(C)CCO)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078678486 454298245 /nfs/dbraw/zinc/29/82/45/454298245.db2.gz PZVZQFHZQRJBFU-UHFFFAOYSA-N 0 0 330.388 3.181 10 5 EGBERN Cc1c(C(=O)N2CCO[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120413329 454298622 /nfs/dbraw/zinc/29/86/22/454298622.db2.gz YWFDOXNBYRWPQN-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN CCn1nc(C(=O)NCC(C)C)c(C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203720 454303936 /nfs/dbraw/zinc/30/39/36/454303936.db2.gz IXTZZGOTRDSASP-UHFFFAOYSA-N 0 0 346.387 3.298 10 5 EGBERN O=C(NCC1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000078793497 454318975 /nfs/dbraw/zinc/31/89/75/454318975.db2.gz SXKQKMJSCRFOGE-UHFFFAOYSA-N 0 0 346.431 3.007 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)N1CCCC1 ZINC000078808610 454322369 /nfs/dbraw/zinc/32/23/69/454322369.db2.gz YCOZFOYSSIYSEY-UHFFFAOYSA-N 0 0 339.351 3.083 10 5 EGBERN CC[C@H](NC(=O)NCCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000090591844 454324831 /nfs/dbraw/zinc/32/48/31/454324831.db2.gz BZIYBRRTKBTYBA-HNNXBMFYSA-N 0 0 337.420 3.144 10 5 EGBERN CC[C@H](NC(=O)N[C@H](COC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090600385 454325884 /nfs/dbraw/zinc/32/58/84/454325884.db2.gz CJSUMIDPHIPCKS-LSDHHAIUSA-N 0 0 347.371 3.326 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000120705415 454336961 /nfs/dbraw/zinc/33/69/61/454336961.db2.gz MRPPIKQSQDOHQM-INIZCTEOSA-N 0 0 326.352 3.262 10 5 EGBERN CC1(C)CCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000063067549 454391494 /nfs/dbraw/zinc/39/14/94/454391494.db2.gz CUDLLDIZGNXGMS-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000063351727 454408026 /nfs/dbraw/zinc/40/80/26/454408026.db2.gz ASDCDQXPSAJJBJ-GJZGRUSLSA-N 0 0 329.331 3.089 10 5 EGBERN CSc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000121492835 454442027 /nfs/dbraw/zinc/44/20/27/454442027.db2.gz XEAMSCZIRYBOES-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000073513190 454444256 /nfs/dbraw/zinc/44/42/56/454444256.db2.gz DJBBOQYQSLXHTG-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000079753094 454473433 /nfs/dbraw/zinc/47/34/33/454473433.db2.gz ONIYXOWPWKFFSM-UHFFFAOYSA-N 0 0 349.412 3.424 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000134176336 454511498 /nfs/dbraw/zinc/51/14/98/454511498.db2.gz PKYVSCWGGWSRIN-CVEARBPZSA-N 0 0 332.400 3.405 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134531582 454556500 /nfs/dbraw/zinc/55/65/00/454556500.db2.gz BGRKAZQDDWYOMR-SJCJKPOMSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(NCc1cscn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050403575 454585774 /nfs/dbraw/zinc/58/57/74/454585774.db2.gz PHOLRLTYMSASLY-UHFFFAOYSA-N 0 0 346.393 3.105 10 5 EGBERN CC(C)c1ccc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065769313 454620797 /nfs/dbraw/zinc/62/07/97/454620797.db2.gz XMEQOPZZNGGSOO-CYBMUJFWSA-N 0 0 330.388 3.182 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000074764158 454630916 /nfs/dbraw/zinc/63/09/16/454630916.db2.gz VXEUHJASXKNFMD-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN O=C(c1ccn2ccnc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135186522 454643330 /nfs/dbraw/zinc/64/33/30/454643330.db2.gz DIVWWQNTLOCEFA-UHFFFAOYSA-N 0 0 336.351 3.047 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066333703 454685918 /nfs/dbraw/zinc/68/59/18/454685918.db2.gz FYIPSWUUCFFCFR-JTQLQIEISA-N 0 0 326.399 3.004 10 5 EGBERN CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC)c1 ZINC000135546842 454688739 /nfs/dbraw/zinc/68/87/39/454688739.db2.gz AVHZKMHNBCWWFN-UHFFFAOYSA-N 0 0 343.383 3.008 10 5 EGBERN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000106526808 454698988 /nfs/dbraw/zinc/69/89/88/454698988.db2.gz WXOXFUJXZYCXHB-HDMKZQKVSA-N 0 0 336.347 3.304 10 5 EGBERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000176185719 454709267 /nfs/dbraw/zinc/70/92/67/454709267.db2.gz QTEPXBJAPQBJCC-LLVKDONJSA-N 0 0 340.339 3.173 10 5 EGBERN CC(C)CCc1noc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153079282 454758138 /nfs/dbraw/zinc/75/81/38/454758138.db2.gz SNBRPEOPIJUBJP-UHFFFAOYSA-N 0 0 330.388 3.125 10 5 EGBERN CC[C@H](NC(=O)N(C)C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000176683711 454771522 /nfs/dbraw/zinc/77/15/22/454771522.db2.gz PFCAEYGWHKXXQT-CJNGLKHVSA-N 0 0 335.404 3.114 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162467900 454777094 /nfs/dbraw/zinc/77/70/94/454777094.db2.gz AUYXLIIRAKXXEY-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CCCCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000176883532 454794996 /nfs/dbraw/zinc/79/49/96/454794996.db2.gz JXXRKZTZPHCFHG-LSDHHAIUSA-N 0 0 335.404 3.012 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000177359976 454855653 /nfs/dbraw/zinc/85/56/53/454855653.db2.gz RCAQMNVJQABJDA-JTQLQIEISA-N 0 0 335.360 3.210 10 5 EGBERN Cc1sc(C(=O)NCCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000112186364 454881664 /nfs/dbraw/zinc/88/16/64/454881664.db2.gz KGASWPMLRXHKGX-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000191447659 455486120 /nfs/dbraw/zinc/48/61/20/455486120.db2.gz XZONHONKBLTBNX-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000177960663 454922757 /nfs/dbraw/zinc/92/27/57/454922757.db2.gz WYUPOKGWQJZAJV-KRWDZBQOSA-N 0 0 343.383 3.042 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000151080711 454934559 /nfs/dbraw/zinc/93/45/59/454934559.db2.gz QYIPNSAMTODWNY-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN CN(C(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114176109 454946710 /nfs/dbraw/zinc/94/67/10/454946710.db2.gz FZFGXHSORCTJNB-UHFFFAOYSA-N 0 0 335.404 3.431 10 5 EGBERN CC[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151373736 454976078 /nfs/dbraw/zinc/97/60/78/454976078.db2.gz TXPSQFNECUMXRX-OAHLLOKOSA-N 0 0 348.424 3.208 10 5 EGBERN Cc1csc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000170790540 454978083 /nfs/dbraw/zinc/97/80/83/454978083.db2.gz KCIDQILLGRZFEO-JTQLQIEISA-N 0 0 335.385 3.077 10 5 EGBERN Cc1nc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000151460225 454987253 /nfs/dbraw/zinc/98/72/53/454987253.db2.gz AYTXVHVVEBJAHU-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN Cc1c(NC(=O)N2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000151462422 454988095 /nfs/dbraw/zinc/98/80/95/454988095.db2.gz UXLRRDPZZMBEDP-UHFFFAOYSA-N 0 0 343.387 3.044 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000170891279 454995481 /nfs/dbraw/zinc/99/54/81/454995481.db2.gz ZRSVLTFRGKUDER-LLVKDONJSA-N 0 0 332.385 3.463 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000151514928 454995967 /nfs/dbraw/zinc/99/59/67/454995967.db2.gz KKCAIGOTDWVJDE-DYVFJYSZSA-N 0 0 333.388 3.062 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151648168 455012539 /nfs/dbraw/zinc/01/25/39/455012539.db2.gz ZAKQDNUKHVJGQI-MFKMUULPSA-N 0 0 332.381 3.121 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccc(Cl)cc3)o2)c1=O ZINC000155902010 455059849 /nfs/dbraw/zinc/05/98/49/455059849.db2.gz KTVNPGZGLIGDCN-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152004314 455060874 /nfs/dbraw/zinc/06/08/74/455060874.db2.gz GMKWZEALTGEQBM-LBPRGKRZSA-N 0 0 344.367 3.060 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000128621372 455072846 /nfs/dbraw/zinc/07/28/46/455072846.db2.gz JZELJHVXTFLNBZ-HZMBPMFUSA-N 0 0 330.315 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000172036881 455112212 /nfs/dbraw/zinc/11/22/12/455112212.db2.gz CKMLKGHHOAGYAP-QFYYESIMSA-N 0 0 328.324 3.107 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119001448 455119755 /nfs/dbraw/zinc/11/97/55/455119755.db2.gz RSAYVUIVLBTQHQ-UHFFFAOYSA-N 0 0 348.790 3.490 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000156834240 455152351 /nfs/dbraw/zinc/15/23/51/455152351.db2.gz ODEZKGRILJHNLU-LJQANCHMSA-N 0 0 340.379 3.291 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000173408722 455279519 /nfs/dbraw/zinc/27/95/19/455279519.db2.gz RVRPWPISZRMKHO-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000173438881 455283110 /nfs/dbraw/zinc/28/31/10/455283110.db2.gz DQGMAZQLNGCTBS-CQSZACIVSA-N 0 0 344.371 3.387 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCCCC1=O ZINC000190290819 455293779 /nfs/dbraw/zinc/29/37/79/455293779.db2.gz KQVCDKXICOFKLG-JTQLQIEISA-N 0 0 343.330 3.009 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000173588556 455311455 /nfs/dbraw/zinc/31/14/55/455311455.db2.gz SKKVPQJLBRUFOT-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN COCCC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000183689563 455321173 /nfs/dbraw/zinc/32/11/73/455321173.db2.gz AKVAPGMNYPOOLB-UHFFFAOYSA-N 0 0 329.356 3.207 10 5 EGBERN CCCC(O)(CCC)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265753723 455374472 /nfs/dbraw/zinc/37/44/72/455374472.db2.gz JWYZFZMNPSECOX-UHFFFAOYSA-N 0 0 333.388 3.137 10 5 EGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746951 455377841 /nfs/dbraw/zinc/37/78/41/455377841.db2.gz RCDAIQPTLNHWQB-LLVKDONJSA-N 0 0 332.331 3.356 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174414728 455389194 /nfs/dbraw/zinc/38/91/94/455389194.db2.gz LSDDWDRQZWCNSB-NSHDSACASA-N 0 0 347.346 3.032 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000160235241 455440371 /nfs/dbraw/zinc/44/03/71/455440371.db2.gz BNGRPKNYEAVGRC-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1Cl ZINC000160261182 455442300 /nfs/dbraw/zinc/44/23/00/455442300.db2.gz DNQLGMGUAUCEQV-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN C[C@H]1CCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799898 455454616 /nfs/dbraw/zinc/45/46/16/455454616.db2.gz CTPKSVNIOSLVPD-NSHDSACASA-N 0 0 346.412 3.141 10 5 EGBERN CN(C[C@@H]1CCCCO1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601008102 460673591 /nfs/dbraw/zinc/67/35/91/460673591.db2.gz INZXCCBAHVGYFG-INIZCTEOSA-N 0 0 332.400 3.044 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000191477523 455489042 /nfs/dbraw/zinc/48/90/42/455489042.db2.gz HZSHESKLGUMAQE-UHFFFAOYSA-N 0 0 346.431 3.100 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)n1 ZINC000191630442 455505381 /nfs/dbraw/zinc/50/53/81/455505381.db2.gz JJMPXHNEIIYYGC-UHFFFAOYSA-N 0 0 342.399 3.233 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 ZINC000191637169 455506690 /nfs/dbraw/zinc/50/66/90/455506690.db2.gz FZKJKIHKKYRJOZ-UKRRQHHQSA-N 0 0 342.399 3.077 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191669318 455508657 /nfs/dbraw/zinc/50/86/57/455508657.db2.gz FUVBLTRCIQGQKB-HNNXBMFYSA-N 0 0 344.415 3.295 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000191685842 455510082 /nfs/dbraw/zinc/51/00/82/455510082.db2.gz REOUKUDOYKEEBD-UHFFFAOYSA-N 0 0 342.399 3.005 10 5 EGBERN CC[C@H](CN(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191716779 455512706 /nfs/dbraw/zinc/51/27/06/455512706.db2.gz XKTOVFIJEGKLPC-CQSZACIVSA-N 0 0 344.415 3.467 10 5 EGBERN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCOCC1 ZINC000160936503 455515864 /nfs/dbraw/zinc/51/58/64/455515864.db2.gz VTFDKPNQHVKTKN-ZDUSSCGKSA-N 0 0 332.400 3.149 10 5 EGBERN CCc1cnccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185248779 455528607 /nfs/dbraw/zinc/52/86/07/455528607.db2.gz SQBOQDVYSAKKEV-UHFFFAOYSA-N 0 0 325.368 3.357 10 5 EGBERN COc1cccc(NC2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000185268618 455531842 /nfs/dbraw/zinc/53/18/42/455531842.db2.gz SVOMQQDSPZRIBW-UHFFFAOYSA-N 0 0 333.310 3.042 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000267377593 455549767 /nfs/dbraw/zinc/54/97/67/455549767.db2.gz YVFCSSCOOAAOFX-LSDHHAIUSA-N 0 0 333.413 3.480 10 5 EGBERN CO[C@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000267845686 455555923 /nfs/dbraw/zinc/55/59/23/455555923.db2.gz OTNPOTDUPBIYLL-SSDOTTSWSA-N 0 0 341.414 3.059 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000192228789 455577990 /nfs/dbraw/zinc/57/79/90/455577990.db2.gz GFLIGHWHWRGICR-ZWNOBZJWSA-N 0 0 347.337 3.045 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-] ZINC000268128363 455596007 /nfs/dbraw/zinc/59/60/07/455596007.db2.gz OTFGRMBRTXLFFK-UHFFFAOYSA-N 0 0 327.793 3.229 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])s2)cs1 ZINC000192468465 455624487 /nfs/dbraw/zinc/62/44/87/455624487.db2.gz URXABGQUJJRFHN-MRVPVSSYSA-N 0 0 328.419 3.242 10 5 EGBERN Cc1noc(C[C@@H](NCc2csc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277658064 455625964 /nfs/dbraw/zinc/62/59/64/455625964.db2.gz NODHYGQBMJJYFX-CQSZACIVSA-N 0 0 344.396 3.421 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000268417391 455677351 /nfs/dbraw/zinc/67/73/51/455677351.db2.gz KNVHMFRRWAJXDJ-DYVFJYSZSA-N 0 0 328.368 3.145 10 5 EGBERN Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000192806500 455697498 /nfs/dbraw/zinc/69/74/98/455697498.db2.gz QTXILSNFUUZPMR-ZDUSSCGKSA-N 0 0 331.372 3.484 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N(C)C2(CCCCC2)C1=O ZINC000278056984 455746692 /nfs/dbraw/zinc/74/66/92/455746692.db2.gz WWNJMZXTJAZCJA-LBPRGKRZSA-N 0 0 331.372 3.253 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2ncccc21 ZINC000193590006 455765839 /nfs/dbraw/zinc/76/58/39/455765839.db2.gz SPAKKFXTDOFGDQ-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN C[C@]1(O)CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278183679 455781414 /nfs/dbraw/zinc/78/14/14/455781414.db2.gz ZZXZZMPCESOXQZ-FQEVSTJZSA-N 0 0 336.391 3.081 10 5 EGBERN CCC(CC)(CCO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278264067 455800801 /nfs/dbraw/zinc/80/08/01/455800801.db2.gz AGZOKJAPORQAQY-UHFFFAOYSA-N 0 0 342.823 3.475 10 5 EGBERN Cc1noc(C)c1C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000186595776 455802017 /nfs/dbraw/zinc/80/20/17/455802017.db2.gz OGZHKMXLCFOKJQ-UHFFFAOYSA-N 0 0 344.245 3.480 10 5 EGBERN COc1cc(C)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000269324563 455835535 /nfs/dbraw/zinc/83/55/35/455835535.db2.gz KJCGDWWSYJPBMH-UHFFFAOYSA-N 0 0 348.359 3.019 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000278731688 455845699 /nfs/dbraw/zinc/84/56/99/455845699.db2.gz WGBVGINPSKXCLS-LRDDRELGSA-N 0 0 336.391 3.248 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296246217 455890691 /nfs/dbraw/zinc/89/06/91/455890691.db2.gz OQHXMOCZWNZJBA-WCQYABFASA-N 0 0 344.358 3.027 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272577391 456000258 /nfs/dbraw/zinc/00/02/58/456000258.db2.gz NTVGNZZFNNRCNE-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN Cc1ccc([C@H]2CSCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949292 456045074 /nfs/dbraw/zinc/04/50/74/456045074.db2.gz OYUDLQAAKLVWSD-HZPDHXFCSA-N 0 0 348.424 3.320 10 5 EGBERN Cc1cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc(C)c1O ZINC000601104970 460711603 /nfs/dbraw/zinc/71/16/03/460711603.db2.gz OTMNVBOYQZAOKJ-UHFFFAOYSA-N 0 0 344.293 3.282 10 5 EGBERN CCOCCOCc1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601105271 460711688 /nfs/dbraw/zinc/71/16/88/460711688.db2.gz XNEIWBIFDXSJMK-UHFFFAOYSA-N 0 0 349.362 3.294 10 5 EGBERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270856505 456054090 /nfs/dbraw/zinc/05/40/90/456054090.db2.gz ZACBDPRGJNPAAD-AAEUAGOBSA-N 0 0 346.387 3.097 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296955332 456073942 /nfs/dbraw/zinc/07/39/42/456073942.db2.gz CIBWCXPFRPGWNU-NSHDSACASA-N 0 0 331.376 3.334 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](O)C1CCCC1 ZINC000301279110 456079555 /nfs/dbraw/zinc/07/95/55/456079555.db2.gz JSLSUOBWWLRADJ-CYBMUJFWSA-N 0 0 329.194 3.320 10 5 EGBERN C[C@H](CCc1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601100604 460709513 /nfs/dbraw/zinc/70/95/13/460709513.db2.gz OSJXBBRTWYQAMR-MRVPVSSYSA-N 0 0 332.282 3.373 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000297021095 456094990 /nfs/dbraw/zinc/09/49/90/456094990.db2.gz SXIDLBSDUNKNPQ-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN COc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1F ZINC000601103357 460710344 /nfs/dbraw/zinc/71/03/44/460710344.db2.gz VAGTVYSMJLNAJD-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN Cc1cc(NCCNC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000301429144 456113344 /nfs/dbraw/zinc/11/33/44/456113344.db2.gz FLCMDTUGYYDAMZ-UHFFFAOYSA-N 0 0 333.775 3.399 10 5 EGBERN CCc1nc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cs1 ZINC000601111805 460714466 /nfs/dbraw/zinc/71/44/66/460714466.db2.gz XDBLURRHUMBPKJ-UHFFFAOYSA-N 0 0 349.338 3.021 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1noc(C)n1 ZINC000301457232 456120876 /nfs/dbraw/zinc/12/08/76/456120876.db2.gz CJDUCLXGWZZJSJ-VIFPVBQESA-N 0 0 328.275 3.451 10 5 EGBERN CCc1cnc([C@@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])s1 ZINC000301572403 456150175 /nfs/dbraw/zinc/15/01/75/456150175.db2.gz RPTMHIRZHOTQQW-SECBINFHSA-N 0 0 334.401 3.146 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000301590519 456154556 /nfs/dbraw/zinc/15/45/56/456154556.db2.gz YQQFOLCOINZTPX-MRXNPFEDSA-N 0 0 325.368 3.145 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000281269674 456185154 /nfs/dbraw/zinc/18/51/54/456185154.db2.gz MSYRWCKOECIJKG-HNNXBMFYSA-N 0 0 348.790 3.349 10 5 EGBERN COC(=O)c1cc(NC[C@@H](O)c2ccccc2C)cc(C)c1[N+](=O)[O-] ZINC000301711446 456193995 /nfs/dbraw/zinc/19/39/95/456193995.db2.gz XXHIJOBUAJAOEZ-MRXNPFEDSA-N 0 0 344.367 3.144 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301895757 456244913 /nfs/dbraw/zinc/24/49/13/456244913.db2.gz PZBZMBQTSXDTDY-ZDUSSCGKSA-N 0 0 349.774 3.423 10 5 EGBERN Cc1cc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908888 456248513 /nfs/dbraw/zinc/24/85/13/456248513.db2.gz RMWRYWPZRQBMMD-RHSMWYFYSA-N 0 0 348.353 3.434 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[C@H]3Cc3ccccc3)nn21 ZINC000301961855 456259601 /nfs/dbraw/zinc/25/96/01/456259601.db2.gz IGPYJPWHCGNIDC-GJZGRUSLSA-N 0 0 337.383 3.461 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000302054374 456277359 /nfs/dbraw/zinc/27/73/59/456277359.db2.gz PVLPDSCPHPPXGH-DIFFPNOSSA-N 0 0 328.372 3.260 10 5 EGBERN CC(C)(CO)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000601132515 460724893 /nfs/dbraw/zinc/72/48/93/460724893.db2.gz IQQQJSDVTHJQRK-AWEZNQCLSA-N 0 0 333.363 3.343 10 5 EGBERN Cc1cccnc1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297734386 456282760 /nfs/dbraw/zinc/28/27/60/456282760.db2.gz ZYTQROUMTXUARQ-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000302181664 456309148 /nfs/dbraw/zinc/30/91/48/456309148.db2.gz YRGZTHAGXNAHGT-HNNXBMFYSA-N 0 0 326.400 3.403 10 5 EGBERN CN(C[C@H]1CCCO1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275775119 456310073 /nfs/dbraw/zinc/31/00/73/456310073.db2.gz HPEDIMAKYABXLW-CQSZACIVSA-N 0 0 336.391 3.345 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1scnc1C1CC1 ZINC000342919510 456313675 /nfs/dbraw/zinc/31/36/75/456313675.db2.gz HXCHHTPSVAHJIV-UHFFFAOYSA-N 0 0 332.385 3.293 10 5 EGBERN CCC1(CC)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[S@@]1=O ZINC000302227268 456323668 /nfs/dbraw/zinc/32/36/68/456323668.db2.gz UMEWWGZUYPPXTO-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN COc1cc(N2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000302255802 456329195 /nfs/dbraw/zinc/32/91/95/456329195.db2.gz OFRZAPONNXBWMO-SFHVURJKSA-N 0 0 344.342 3.378 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC(F)(F)C1 ZINC000340258983 456346425 /nfs/dbraw/zinc/34/64/25/456346425.db2.gz YCLHWTHFBOSXCF-GFCCVEGCSA-N 0 0 327.331 3.014 10 5 EGBERN C[C@@H](NC(=O)N1CCC2(CCOCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000347785061 456366418 /nfs/dbraw/zinc/36/64/18/456366418.db2.gz NCYBEMUNMXAMOY-KGLIPLIRSA-N 0 0 347.415 3.256 10 5 EGBERN C[C@H](NC(=O)N1CCC2(CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000347785062 456367199 /nfs/dbraw/zinc/36/71/99/456367199.db2.gz NCYBEMUNMXAMOY-UONOGXRCSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1nc(NCCN2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000302630265 456367279 /nfs/dbraw/zinc/36/72/79/456367279.db2.gz GLFJLXDYMUQCJS-UHFFFAOYSA-N 0 0 346.818 3.422 10 5 EGBERN Cc1cnc(NCc2noc(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 ZINC000343067927 456383768 /nfs/dbraw/zinc/38/37/68/456383768.db2.gz ZDHRWILKTXEEIU-UHFFFAOYSA-N 0 0 329.291 3.099 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000347842002 456399295 /nfs/dbraw/zinc/39/92/95/456399295.db2.gz FSFRBHHWHVBMTN-NSHDSACASA-N 0 0 330.315 3.102 10 5 EGBERN COCCN(Cc1scnc1C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000343090523 456400302 /nfs/dbraw/zinc/40/03/02/456400302.db2.gz FJCWUEQIQCDSGU-UHFFFAOYSA-N 0 0 349.412 3.215 10 5 EGBERN CC[C@@H](NC(=O)c1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000282220472 456446210 /nfs/dbraw/zinc/44/62/10/456446210.db2.gz CJODPUPMQOHEMQ-GFCCVEGCSA-N 0 0 334.401 3.451 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccsc1 ZINC000282334249 456479282 /nfs/dbraw/zinc/47/92/82/456479282.db2.gz GBGWXICBIPQNBX-UHFFFAOYSA-N 0 0 333.413 3.083 10 5 EGBERN CC(C)[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C(F)(F)F ZINC000348101469 456480172 /nfs/dbraw/zinc/48/01/72/456480172.db2.gz AQSFBBKJBOPNME-GFCCVEGCSA-N 0 0 329.278 3.393 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000276438112 456481790 /nfs/dbraw/zinc/48/17/90/456481790.db2.gz RADKWQGQRTVTLV-UHFFFAOYSA-N 0 0 331.328 3.137 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(F)c1F ZINC000348117068 456495072 /nfs/dbraw/zinc/49/50/72/456495072.db2.gz WTEBOKMJNBWCSW-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343266924 456495893 /nfs/dbraw/zinc/49/58/93/456495893.db2.gz MMQXNWJCRPPOEZ-WBVHZDCISA-N 0 0 332.400 3.291 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343266923 456496658 /nfs/dbraw/zinc/49/66/58/456496658.db2.gz MMQXNWJCRPPOEZ-RDJZCZTQSA-N 0 0 332.400 3.291 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1F ZINC000348136586 456508549 /nfs/dbraw/zinc/50/85/49/456508549.db2.gz RLLDCQOVJUJPEA-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN O=C(CSc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccc2)=N1 ZINC000337738742 456514930 /nfs/dbraw/zinc/51/49/30/456514930.db2.gz BTRGIURXHHATPV-UHFFFAOYSA-N 0 0 341.392 3.324 10 5 EGBERN CCN(CC(=O)N1CCCCCC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353179363 456542741 /nfs/dbraw/zinc/54/27/41/456542741.db2.gz ZUZCOPHLDJPAKU-HNNXBMFYSA-N 0 0 333.432 3.380 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000353210300 456561795 /nfs/dbraw/zinc/56/17/95/456561795.db2.gz YMLGHGKYIJCQRB-CYBMUJFWSA-N 0 0 343.383 3.034 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250601 456569943 /nfs/dbraw/zinc/56/99/43/456569943.db2.gz UFDPOLKTATUVRG-NOZJJQNGSA-N 0 0 346.305 3.234 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000282680089 456591143 /nfs/dbraw/zinc/59/11/43/456591143.db2.gz QAPSGZYNCDCLMI-ZDUSSCGKSA-N 0 0 343.387 3.144 10 5 EGBERN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000343406142 456599803 /nfs/dbraw/zinc/59/98/03/456599803.db2.gz QEUDQLZPRKNIAJ-LBPRGKRZSA-N 0 0 342.399 3.304 10 5 EGBERN Cc1cc(NC(=O)NCc2ccc3cc[nH]c3n2)ccc1[N+](=O)[O-] ZINC000353299595 456622453 /nfs/dbraw/zinc/62/24/53/456622453.db2.gz NHEOFSHOBHPNFC-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000324525415 456669047 /nfs/dbraw/zinc/66/90/47/456669047.db2.gz YAXNJTFPPUUKSE-GFCCVEGCSA-N 0 0 325.368 3.444 10 5 EGBERN CC(C)Oc1ncccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000325608667 456685426 /nfs/dbraw/zinc/68/54/26/456685426.db2.gz RCRKZVZBDXVVKQ-UHFFFAOYSA-N 0 0 327.344 3.265 10 5 EGBERN Cc1ccncc1CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353416301 456687250 /nfs/dbraw/zinc/68/72/50/456687250.db2.gz QSSAVIZLJUUOCJ-ZDUSSCGKSA-N 0 0 328.372 3.201 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348454484 456693414 /nfs/dbraw/zinc/69/34/14/456693414.db2.gz YFYWPFLREHBSPW-WPRPVWTQSA-N 0 0 347.293 3.408 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283113138 456713268 /nfs/dbraw/zinc/71/32/68/456713268.db2.gz HLADYTHOHZWVPI-SNVBAGLBSA-N 0 0 332.278 3.383 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291726504 456735809 /nfs/dbraw/zinc/73/58/09/456735809.db2.gz RLSJJGVNZMDSMV-CYBMUJFWSA-N 0 0 342.823 3.094 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000353544848 456748632 /nfs/dbraw/zinc/74/86/32/456748632.db2.gz KXRDHWZNEWYOTO-UHFFFAOYSA-N 0 0 345.380 3.344 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000348627554 456785706 /nfs/dbraw/zinc/78/57/06/456785706.db2.gz PTWKTHFKGATISC-YVEFUNNKSA-N 0 0 325.368 3.328 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000348652669 456802484 /nfs/dbraw/zinc/80/24/84/456802484.db2.gz JSEPMNCKFHRIHV-MNOVXSKESA-N 0 0 345.321 3.102 10 5 EGBERN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000291976102 456818257 /nfs/dbraw/zinc/81/82/57/456818257.db2.gz VXIBYWXKVGWOPK-INIZCTEOSA-N 0 0 331.372 3.249 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc(C2CC2)cs1 ZINC000341183245 456821626 /nfs/dbraw/zinc/82/16/26/456821626.db2.gz MRPKNJYDVLPKOZ-UHFFFAOYSA-N 0 0 339.323 3.388 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000277489174 456842364 /nfs/dbraw/zinc/84/23/64/456842364.db2.gz XAJZOJAHRJRKHZ-SUMWQHHRSA-N 0 0 328.368 3.455 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](C)c1ccccc1 ZINC000339287435 457043282 /nfs/dbraw/zinc/04/32/82/457043282.db2.gz ZFRRPVTWGQGWQO-CQSZACIVSA-N 0 0 343.383 3.148 10 5 EGBERN COc1cc(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000359087126 457051367 /nfs/dbraw/zinc/05/13/67/457051367.db2.gz WHYCIYXYBJDHMM-UHFFFAOYSA-N 0 0 331.372 3.260 10 5 EGBERN CCc1ccc([C@@H]2COCCN2c2nc(C)cc(C)c2[N+](=O)[O-])o1 ZINC000359087749 457052714 /nfs/dbraw/zinc/05/27/14/457052714.db2.gz XXQHWQHHDCZASE-AWEZNQCLSA-N 0 0 331.372 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000346576269 457054640 /nfs/dbraw/zinc/05/46/40/457054640.db2.gz UQDFTHGGZFIITH-SFHVURJKSA-N 0 0 338.342 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)cc1 ZINC000356605513 457080134 /nfs/dbraw/zinc/08/01/34/457080134.db2.gz UVOPZAXLDPIJSJ-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359708406 457122786 /nfs/dbraw/zinc/12/27/86/457122786.db2.gz UTLOPGWDTXYIHJ-SFYZADRCSA-N 0 0 334.323 3.471 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000356744875 457145782 /nfs/dbraw/zinc/14/57/82/457145782.db2.gz YTISPPDQEFITBT-NWDGAFQWSA-N 0 0 347.415 3.123 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000359965219 457174893 /nfs/dbraw/zinc/17/48/93/457174893.db2.gz XLAHCMQLGXNCNN-LBPRGKRZSA-N 0 0 330.340 3.257 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000363022852 457199414 /nfs/dbraw/zinc/19/94/14/457199414.db2.gz RINXEHUIRABBNA-HNNXBMFYSA-N 0 0 343.358 3.285 10 5 EGBERN COC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000339688781 457214629 /nfs/dbraw/zinc/21/46/29/457214629.db2.gz XVZDVIISQKGALN-HNNXBMFYSA-N 0 0 340.335 3.459 10 5 EGBERN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nccs1 ZINC000342290295 457215314 /nfs/dbraw/zinc/21/53/14/457215314.db2.gz VNKMRMPXBLDEFN-LBPRGKRZSA-N 0 0 341.339 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342318903 457234788 /nfs/dbraw/zinc/23/47/88/457234788.db2.gz BDJQBSQJNJLZPC-INIZCTEOSA-N 0 0 332.404 3.214 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000347156029 457260215 /nfs/dbraw/zinc/26/02/15/457260215.db2.gz MXMMVTWHIFCPQI-UHFFFAOYSA-N 0 0 345.403 3.301 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000347175874 457272815 /nfs/dbraw/zinc/27/28/15/457272815.db2.gz ASDCEAOJHKQZAB-SNVBAGLBSA-N 0 0 331.376 3.498 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000363258933 457274219 /nfs/dbraw/zinc/27/42/19/457274219.db2.gz KBYAQUFCXHYXPZ-HNNXBMFYSA-N 0 0 340.379 3.210 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(COC[C@H]2CCOC2)no1 ZINC000351424313 457285793 /nfs/dbraw/zinc/28/57/93/457285793.db2.gz XCVTUKWHGVRULX-UNJUUPHPSA-N 0 0 345.355 3.091 10 5 EGBERN CC[C@@H](NC(=O)c1cnn2ccc(C)cc12)c1cccc([N+](=O)[O-])c1 ZINC000347213903 457292103 /nfs/dbraw/zinc/29/21/03/457292103.db2.gz RKIFCXMNXFFGMI-MRXNPFEDSA-N 0 0 338.367 3.432 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000360257628 457298629 /nfs/dbraw/zinc/29/86/29/457298629.db2.gz LOBVZSUILWUBGG-ZWNOBZJWSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000339855987 457310026 /nfs/dbraw/zinc/31/00/26/457310026.db2.gz SLRQECSQMMLZSR-AWEZNQCLSA-N 0 0 342.321 3.338 10 5 EGBERN Cc1sc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000342551497 457363150 /nfs/dbraw/zinc/36/31/50/457363150.db2.gz IRWKEKGSTAGOGC-YGRLFVJLSA-N 0 0 344.458 3.166 10 5 EGBERN NC(=O)c1ccnc(N[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000357189211 457366683 /nfs/dbraw/zinc/36/66/83/457366683.db2.gz TXBYKGLSHLUVII-UKRRQHHQSA-N 0 0 340.383 3.227 10 5 EGBERN CC(=O)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000360835519 457374402 /nfs/dbraw/zinc/37/44/02/457374402.db2.gz OHSIEDUZZAZHLZ-UHFFFAOYSA-N 0 0 334.278 3.257 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375966 457385737 /nfs/dbraw/zinc/38/57/37/457385737.db2.gz SPPLBZMUGHFQNH-RPHSKFLZSA-N 0 0 346.387 3.221 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1[C@H](C)C1CC1 ZINC000342650370 457428954 /nfs/dbraw/zinc/42/89/54/457428954.db2.gz IWICWTXMZUTIRS-SNVBAGLBSA-N 0 0 348.790 3.398 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC(CC(F)F)C1 ZINC000425078168 457430529 /nfs/dbraw/zinc/43/05/29/457430529.db2.gz VGMKCGJVINAUPP-UHFFFAOYSA-N 0 0 338.232 3.341 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000360918683 457432040 /nfs/dbraw/zinc/43/20/40/457432040.db2.gz LAEDFKBHDFJIMG-NSHDSACASA-N 0 0 348.403 3.180 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000342671400 457444556 /nfs/dbraw/zinc/44/45/56/457444556.db2.gz YTSPFADEPQFLEF-APWZRJJASA-N 0 0 346.427 3.193 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553296 457461712 /nfs/dbraw/zinc/46/17/12/457461712.db2.gz BFWHKKJIYLSFLC-OAHLLOKOSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000425279181 457480885 /nfs/dbraw/zinc/48/08/85/457480885.db2.gz HNPADHJQXJPCPF-MRXNPFEDSA-N 0 0 331.416 3.392 10 5 EGBERN Cc1sc(CCNc2ccncc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000361042188 457536370 /nfs/dbraw/zinc/53/63/70/457536370.db2.gz IZASVIDXXUMGQS-UHFFFAOYSA-N 0 0 340.408 3.498 10 5 EGBERN CCOc1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000357460177 457543904 /nfs/dbraw/zinc/54/39/04/457543904.db2.gz AIRWOGSRYVMVTI-WDEREUQCSA-N 0 0 333.344 3.326 10 5 EGBERN CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425430425 457551966 /nfs/dbraw/zinc/55/19/66/457551966.db2.gz FMTOYJUUPSZOGQ-CYBMUJFWSA-N 0 0 345.237 3.196 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2ccco2)c2ccncc21 ZINC000364303563 457554411 /nfs/dbraw/zinc/55/44/11/457554411.db2.gz AFFRICOMRONHPP-MRXNPFEDSA-N 0 0 325.324 3.314 10 5 EGBERN CCN(C[C@H](C)OC)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000361067101 457559422 /nfs/dbraw/zinc/55/94/22/457559422.db2.gz QFDZEAWAFCNVJJ-ZDUSSCGKSA-N 0 0 338.407 3.178 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)no1 ZINC000357581188 457605489 /nfs/dbraw/zinc/60/54/89/457605489.db2.gz MODHKBZGILAKQL-JTQLQIEISA-N 0 0 336.348 3.086 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(C)C ZINC000410510965 457645390 /nfs/dbraw/zinc/64/53/90/457645390.db2.gz QEKYQMRKHYSSEF-JTQLQIEISA-N 0 0 348.321 3.499 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000374532906 457650749 /nfs/dbraw/zinc/65/07/49/457650749.db2.gz BXMSOEYOIMACGW-SFHVURJKSA-N 0 0 325.368 3.102 10 5 EGBERN Cc1cnc(CCCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)o1 ZINC000410624322 457652043 /nfs/dbraw/zinc/65/20/43/457652043.db2.gz RZXPDEZTBXWQOA-UHFFFAOYSA-N 0 0 329.356 3.193 10 5 EGBERN Cc1cc(NC(=O)N2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000374563180 457662043 /nfs/dbraw/zinc/66/20/43/457662043.db2.gz SDGOEGVGKKQJEH-UHFFFAOYSA-N 0 0 345.330 3.469 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000364653352 457666285 /nfs/dbraw/zinc/66/62/85/457666285.db2.gz DXKUEVBAEBGYJS-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN COc1ccc2c(c1)OCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000374670666 457684805 /nfs/dbraw/zinc/68/48/05/457684805.db2.gz UNOUDGUXWYXMTI-UHFFFAOYSA-N 0 0 348.380 3.008 10 5 EGBERN CC(C)OCc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)no1 ZINC000357812613 457698661 /nfs/dbraw/zinc/69/86/61/457698661.db2.gz RRDDBYRSTNJSIA-MRVPVSSYSA-N 0 0 341.755 3.124 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1 ZINC000374857871 457720692 /nfs/dbraw/zinc/72/06/92/457720692.db2.gz SKMUUPWORIDGJK-ZDUSSCGKSA-N 0 0 343.358 3.254 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCCOC2 ZINC000375076036 457782446 /nfs/dbraw/zinc/78/24/46/457782446.db2.gz WJJJLWKBPDKEIM-HNNXBMFYSA-N 0 0 339.779 3.283 10 5 EGBERN CSCc1cccnc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000361546070 457786945 /nfs/dbraw/zinc/78/69/45/457786945.db2.gz QOBKQINHMQLKIA-NSHDSACASA-N 0 0 343.408 3.444 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433244981 457789637 /nfs/dbraw/zinc/78/96/37/457789637.db2.gz HXJNWLVTJYCTOU-WFASDCNBSA-N 0 0 346.383 3.402 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C3CCC3)CCC2)cc1OC ZINC000411108555 457804284 /nfs/dbraw/zinc/80/42/84/457804284.db2.gz DMFNTNFZMNTCOV-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@H](C4CC4)C3)cs2)c1 ZINC000375331739 457885320 /nfs/dbraw/zinc/88/53/20/457885320.db2.gz LVIKSLNGQJQMLK-INIZCTEOSA-N 0 0 345.424 3.329 10 5 EGBERN CNC(=O)c1ccc(N(C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000433806451 457889674 /nfs/dbraw/zinc/88/96/74/457889674.db2.gz UCWVSYJWGDOYQO-UHFFFAOYSA-N 0 0 327.384 3.208 10 5 EGBERN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1C ZINC000458015083 457903440 /nfs/dbraw/zinc/90/34/40/457903440.db2.gz UEGWNRFYZBWRGU-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000358345644 457948927 /nfs/dbraw/zinc/94/89/27/457948927.db2.gz ZFJBBZMIVKFIOI-UHFFFAOYSA-N 0 0 345.786 3.459 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](CC(F)(F)F)C3)nc2c1 ZINC000444712912 457952916 /nfs/dbraw/zinc/95/29/16/457952916.db2.gz ZWPZPXADMYBJSA-SECBINFHSA-N 0 0 328.294 3.245 10 5 EGBERN CCC[C@]1(C(=O)OCC)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000444793173 457978537 /nfs/dbraw/zinc/97/85/37/457978537.db2.gz RHMMIQAQQIBMHQ-OAHLLOKOSA-N 0 0 326.418 3.354 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000458227062 457979656 /nfs/dbraw/zinc/97/96/56/457979656.db2.gz ABGVTRYGGNOMNJ-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000367841362 457986162 /nfs/dbraw/zinc/98/61/62/457986162.db2.gz FUICWNMHOBOXRR-GTNSWQLSSA-N 0 0 328.372 3.260 10 5 EGBERN CCc1ncc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000444965722 458000568 /nfs/dbraw/zinc/00/05/68/458000568.db2.gz LVRBGRQBMXIFCV-UHFFFAOYSA-N 0 0 344.374 3.286 10 5 EGBERN O=C(NCCC(F)(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444993518 458005246 /nfs/dbraw/zinc/00/52/46/458005246.db2.gz SDBXKQBRJNUABY-UHFFFAOYSA-N 0 0 334.297 3.364 10 5 EGBERN Cc1ccc(O)c(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000445160199 458020879 /nfs/dbraw/zinc/02/08/79/458020879.db2.gz PKZGPNFYYVBYOX-UHFFFAOYSA-N 0 0 345.358 3.343 10 5 EGBERN COc1cc(CSCc2cn(C(C)C)nn2)c([N+](=O)[O-])cc1F ZINC000427683789 458022632 /nfs/dbraw/zinc/02/26/32/458022632.db2.gz YTMHOIQPKFCMOQ-UHFFFAOYSA-N 0 0 340.380 3.348 10 5 EGBERN Cc1cccnc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445190557 458024226 /nfs/dbraw/zinc/02/42/26/458024226.db2.gz WRMQPHYUKMYNHK-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN COc1ccc(CCNc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000434947732 458069205 /nfs/dbraw/zinc/06/92/05/458069205.db2.gz SGAZEABVZMNORW-UHFFFAOYSA-N 0 0 325.727 3.446 10 5 EGBERN COC(=O)[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428079876 458075003 /nfs/dbraw/zinc/07/50/03/458075003.db2.gz MVPMFSPKNIROHQ-GJBHZFNWSA-N 0 0 326.352 3.112 10 5 EGBERN CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362367180 458129340 /nfs/dbraw/zinc/12/93/40/458129340.db2.gz ZOXPBNWNTPMCEE-UHFFFAOYSA-N 0 0 331.347 3.005 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000428413881 458137028 /nfs/dbraw/zinc/13/70/28/458137028.db2.gz NPHAYLPKWYAKKV-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cn(C)nc2C(C)C)ccc1[N+](=O)[O-] ZINC000412302354 458160955 /nfs/dbraw/zinc/16/09/55/458160955.db2.gz DBCQUPUZFXTPEU-UHFFFAOYSA-N 0 0 346.387 3.491 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(C)C)C2)cc1OC ZINC000446330679 458178215 /nfs/dbraw/zinc/17/82/15/458178215.db2.gz JYBLDGXUZRKEFD-GFCCVEGCSA-N 0 0 336.388 3.120 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)nn1[C@H](C)C1CC1 ZINC000446484696 458190634 /nfs/dbraw/zinc/19/06/34/458190634.db2.gz KMSSBJYXNLHTJF-GFCCVEGCSA-N 0 0 343.387 3.445 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000362475086 458203268 /nfs/dbraw/zinc/20/32/68/458203268.db2.gz WWDKPWWHXLXDIR-CYBMUJFWSA-N 0 0 343.383 3.313 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CNCc3c[nH]c(-c4ccccc4)n3)nc2c1 ZINC000446842697 458236046 /nfs/dbraw/zinc/23/60/46/458236046.db2.gz HHKFOQJNXCFDFH-UHFFFAOYSA-N 0 0 348.366 3.151 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436012974 458236419 /nfs/dbraw/zinc/23/64/19/458236419.db2.gz AYPUDZYOIDVZKE-PWSUYJOCSA-N 0 0 338.791 3.440 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000376271220 458255338 /nfs/dbraw/zinc/25/53/38/458255338.db2.gz UPHBYANPCNLHQF-ZVVFDCPKSA-N 0 0 337.379 3.094 10 5 EGBERN C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000429091206 458270342 /nfs/dbraw/zinc/27/03/42/458270342.db2.gz ONBCAQSQFNSUOP-MRVPVSSYSA-N 0 0 338.772 3.370 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000376340077 458272858 /nfs/dbraw/zinc/27/28/58/458272858.db2.gz JNGLPFAZHNVSQH-SICOMBFOSA-N 0 0 342.351 3.191 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000372308354 458273652 /nfs/dbraw/zinc/27/36/52/458273652.db2.gz QCQIWXDQWOCFLU-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN COCC[C@@H]1CCCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376394495 458287419 /nfs/dbraw/zinc/28/74/19/458287419.db2.gz JVWCSQGMSIYDPM-NSHDSACASA-N 0 0 336.417 3.243 10 5 EGBERN COc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(C(C)=O)c1)CC2 ZINC000376392041 458287497 /nfs/dbraw/zinc/28/74/97/458287497.db2.gz PVPWRHDRUSFPQE-UHFFFAOYSA-N 0 0 340.379 3.411 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnn1C1CCCC1 ZINC000429250053 458299400 /nfs/dbraw/zinc/29/94/00/458299400.db2.gz FCZDZDPTBAJLBL-GFCCVEGCSA-N 0 0 340.383 3.498 10 5 EGBERN COC(=O)c1sccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429263574 458302170 /nfs/dbraw/zinc/30/21/70/458302170.db2.gz JSNDTRZEGMRMKS-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@@H](C3CCCCC3)C2)s1 ZINC000376458501 458307183 /nfs/dbraw/zinc/30/71/83/458307183.db2.gz BGQRDBPEPKJVCH-CYBMUJFWSA-N 0 0 348.428 3.385 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](COc4ccccc4)C3)nc2c1 ZINC000447676239 458328774 /nfs/dbraw/zinc/32/87/74/458328774.db2.gz QCALTXAPURRTSX-CYBMUJFWSA-N 0 0 338.367 3.376 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NCCOCc3ccc(Cl)cc3)[nH]c2c1 ZINC000447684532 458329686 /nfs/dbraw/zinc/32/96/86/458329686.db2.gz BKZFHWPFIPCXHY-UHFFFAOYSA-N 0 0 346.774 3.175 10 5 EGBERN CC(C)(c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000430340176 458440600 /nfs/dbraw/zinc/44/06/00/458440600.db2.gz CQGXLKKBPYOEQR-UHFFFAOYSA-N 0 0 342.277 3.410 10 5 EGBERN COc1ccccc1S(=O)(=O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000468492206 458521651 /nfs/dbraw/zinc/52/16/51/458521651.db2.gz MRPGEDVYJWKEJW-GFCCVEGCSA-N 0 0 335.381 3.447 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000460502228 458522359 /nfs/dbraw/zinc/52/23/59/458522359.db2.gz VRCWHIVOZOYIMV-ZFWWWQNUSA-N 0 0 346.333 3.335 10 5 EGBERN COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000438106561 458534018 /nfs/dbraw/zinc/53/40/18/458534018.db2.gz GQKXGQIYKDXOJY-VIFPVBQESA-N 0 0 334.303 3.190 10 5 EGBERN Cc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000431158785 458537534 /nfs/dbraw/zinc/53/75/34/458537534.db2.gz DMONAPRJCLOXDC-UHFFFAOYSA-N 0 0 346.286 3.121 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000377821790 458541524 /nfs/dbraw/zinc/54/15/24/458541524.db2.gz RVUNHGCXTPRMBW-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438152242 458542302 /nfs/dbraw/zinc/54/23/02/458542302.db2.gz ZRLMMGOGJWMXRH-YHAQOWFVSA-N 0 0 332.381 3.339 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438154657 458542637 /nfs/dbraw/zinc/54/26/37/458542637.db2.gz LXQOIEDVFAGDTN-FTGAXOIBSA-N 0 0 332.381 3.339 10 5 EGBERN CO[C@H](C)[C@@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461276613 458554383 /nfs/dbraw/zinc/55/43/83/458554383.db2.gz YFNDLCDWNSAXKU-CHWSQXEVSA-N 0 0 343.383 3.492 10 5 EGBERN Cc1noc(C2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000378046587 458609896 /nfs/dbraw/zinc/60/98/96/458609896.db2.gz OQWLANYMJAIAES-UHFFFAOYSA-N 0 0 347.331 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cc(F)c(F)cc21 ZINC000438795362 458615344 /nfs/dbraw/zinc/61/53/44/458615344.db2.gz URBPIOXCRPRCJD-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000462492969 458625143 /nfs/dbraw/zinc/62/51/43/458625143.db2.gz HOOVEGVEALSNCU-CABCVRRESA-N 0 0 338.429 3.150 10 5 EGBERN COc1cc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000470298963 458628656 /nfs/dbraw/zinc/62/86/56/458628656.db2.gz PCVAWNYTFGMCDV-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000438943575 458632330 /nfs/dbraw/zinc/63/23/30/458632330.db2.gz BWQHSMDUOMCYLQ-MNOVXSKESA-N 0 0 326.780 3.102 10 5 EGBERN CCc1cc(NC(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462606060 458634135 /nfs/dbraw/zinc/63/41/35/458634135.db2.gz OXSAWACTFGHJFH-UHFFFAOYSA-N 0 0 335.363 3.309 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000494299244 458656064 /nfs/dbraw/zinc/65/60/64/458656064.db2.gz FFDNOYFEXGNVHB-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN O=C([C@@H]1[C@H]2CCCO[C@H]21)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000503083318 458691438 /nfs/dbraw/zinc/69/14/38/458691438.db2.gz NRISUQFYEBOQDW-BRWVUGGUSA-N 0 0 330.384 3.295 10 5 EGBERN CCCc1ncc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000456521843 458701547 /nfs/dbraw/zinc/70/15/47/458701547.db2.gz QHTQVHGAAQQKRE-UHFFFAOYSA-N 0 0 349.362 3.268 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463840834 458721386 /nfs/dbraw/zinc/72/13/86/458721386.db2.gz KAMAZOVDKMUIJC-DJJJIMSYSA-N 0 0 339.395 3.081 10 5 EGBERN COc1ccc(CC(=O)N2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000530520971 458783040 /nfs/dbraw/zinc/78/30/40/458783040.db2.gz ANFIEHATNRWUCA-UHFFFAOYSA-N 0 0 334.416 3.431 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440155653 458788633 /nfs/dbraw/zinc/78/86/33/458788633.db2.gz NMVCAHFFBQNRKN-QGZVFWFLSA-N 0 0 334.372 3.258 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1O ZINC000473517188 458832915 /nfs/dbraw/zinc/83/29/15/458832915.db2.gz HGWRTPPFXCRZPY-XJKSGUPXSA-N 0 0 329.400 3.376 10 5 EGBERN COC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC(C)(C)O1 ZINC000517981397 458833977 /nfs/dbraw/zinc/83/39/77/458833977.db2.gz CFDGIESVWPIMCL-CYBMUJFWSA-N 0 0 345.399 3.082 10 5 EGBERN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)CC2CC2)cc1 ZINC000531118052 458874475 /nfs/dbraw/zinc/87/44/75/458874475.db2.gz FGDQJBGUXSNVLJ-UHFFFAOYSA-N 0 0 346.408 3.341 10 5 EGBERN O=C(NCc1cccc(CO)n1)c1cc2ccccc2c2cccnc12 ZINC000550102224 458884575 /nfs/dbraw/zinc/88/45/75/458884575.db2.gz XBGPMPCNIKFMFP-UHFFFAOYSA-N 0 0 343.386 3.205 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000519152061 458920379 /nfs/dbraw/zinc/92/03/79/458920379.db2.gz VMRYWDSRESFKLO-UFBFGSQYSA-N 0 0 332.809 3.024 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000476125180 458981032 /nfs/dbraw/zinc/98/10/32/458981032.db2.gz ABYCRXQZIKISIA-OAHLLOKOSA-N 0 0 326.352 3.384 10 5 EGBERN COC(=O)c1cc(NCCOC2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000577551355 459049478 /nfs/dbraw/zinc/04/94/78/459049478.db2.gz MZEBDCQSIRGIBP-UHFFFAOYSA-N 0 0 336.388 3.451 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000577576850 459052294 /nfs/dbraw/zinc/05/22/94/459052294.db2.gz AIKUBDBOAQULPQ-CYBMUJFWSA-N 0 0 340.383 3.332 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477694836 459054418 /nfs/dbraw/zinc/05/44/18/459054418.db2.gz PJXBXUKEENVVLT-NSHDSACASA-N 0 0 340.301 3.275 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594487208 459057472 /nfs/dbraw/zinc/05/74/72/459057472.db2.gz LRLSBAJKESSTBP-JTQLQIEISA-N 0 0 348.371 3.087 10 5 EGBERN CC(C)CN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388142 459079189 /nfs/dbraw/zinc/07/91/89/459079189.db2.gz HHYKDDWUYNBXCR-UHFFFAOYSA-N 0 0 327.384 3.331 10 5 EGBERN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000532388289 459079225 /nfs/dbraw/zinc/07/92/25/459079225.db2.gz FMHZLVXVOIZQLX-LBPRGKRZSA-N 0 0 333.344 3.096 10 5 EGBERN CC(C)(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532388088 459079524 /nfs/dbraw/zinc/07/95/24/459079524.db2.gz AQXVPHVYZGYKEJ-UHFFFAOYSA-N 0 0 327.384 3.260 10 5 EGBERN CCCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397528 459080434 /nfs/dbraw/zinc/08/04/34/459080434.db2.gz VFAXJPBXNDLABF-UHFFFAOYSA-N 0 0 325.328 3.002 10 5 EGBERN Cc1ncn(CCCCc2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000594534221 459081641 /nfs/dbraw/zinc/08/16/41/459081641.db2.gz IWFQQGNTETXAFO-UHFFFAOYSA-N 0 0 341.371 3.481 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594538845 459083049 /nfs/dbraw/zinc/08/30/49/459083049.db2.gz VQCOHRDKTUZGBD-GJZGRUSLSA-N 0 0 337.351 3.203 10 5 EGBERN C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594539591 459084198 /nfs/dbraw/zinc/08/41/98/459084198.db2.gz DYFPGWDROOBPQE-GPEGDAHHSA-N 0 0 332.400 3.333 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000590398911 459123629 /nfs/dbraw/zinc/12/36/29/459123629.db2.gz AUQJBLJGDNGAMR-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401226 459125016 /nfs/dbraw/zinc/12/50/16/459125016.db2.gz JOUQRNDHLQAGTK-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc2c(c1)CCOC2 ZINC000594707138 459135096 /nfs/dbraw/zinc/13/50/96/459135096.db2.gz JELMNPCAYLPHNX-UHFFFAOYSA-N 0 0 341.367 3.027 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000590564996 459150460 /nfs/dbraw/zinc/15/04/60/459150460.db2.gz IGIOBDJHJVGXAF-LBPRGKRZSA-N 0 0 329.331 3.149 10 5 EGBERN COc1ccc(C(C)C)cc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000594899940 459169918 /nfs/dbraw/zinc/16/99/18/459169918.db2.gz HRXMEQLAKKGRCQ-UHFFFAOYSA-N 0 0 334.401 3.222 10 5 EGBERN C[C@@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956645 459191943 /nfs/dbraw/zinc/19/19/43/459191943.db2.gz KJZGQLLCSBGQNK-IAQYHMDHSA-N 0 0 339.355 3.242 10 5 EGBERN C[C@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956648 459192454 /nfs/dbraw/zinc/19/24/54/459192454.db2.gz KJZGQLLCSBGQNK-XHDPSFHLSA-N 0 0 339.355 3.242 10 5 EGBERN Cc1cc(C(=O)NC2CCC(OC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000590884152 459258369 /nfs/dbraw/zinc/25/83/69/459258369.db2.gz VHGGUWHPDOFAQJ-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN COc1ccc(CC2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595305016 459272389 /nfs/dbraw/zinc/27/23/89/459272389.db2.gz QPDYSUHQWKHZAY-UHFFFAOYSA-N 0 0 345.399 3.355 10 5 EGBERN CCN(Cc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000568448277 459289004 /nfs/dbraw/zinc/28/90/04/459289004.db2.gz DSQMWWUVERYAPA-UHFFFAOYSA-N 0 0 343.412 3.478 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC12CCCC2 ZINC000582024538 459293124 /nfs/dbraw/zinc/29/31/24/459293124.db2.gz CKQUDBXFMCMRST-MRXNPFEDSA-N 0 0 342.399 3.251 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc([N+](=O)[O-])cn1 ZINC000582039615 459295794 /nfs/dbraw/zinc/29/57/94/459295794.db2.gz PHNFUALEELBIBP-FUHWJXTLSA-N 0 0 333.347 3.429 10 5 EGBERN COC1CC(CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595545106 459341937 /nfs/dbraw/zinc/34/19/37/459341937.db2.gz NSOXLMVBBCWZNE-OPFPJEHXSA-N 0 0 335.404 3.079 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595551865 459344326 /nfs/dbraw/zinc/34/43/26/459344326.db2.gz ZEWVPCBDOFZILB-FZKQIMNGSA-N 0 0 347.415 3.175 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OCc1cn(-c2ccccc2)nn1 ZINC000524258089 459354305 /nfs/dbraw/zinc/35/43/05/459354305.db2.gz GMFLACOQNMPPMB-UHFFFAOYSA-N 0 0 330.731 3.408 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595607192 459363654 /nfs/dbraw/zinc/36/36/54/459363654.db2.gz UNSFKTTYXDJVJP-LBPRGKRZSA-N 0 0 338.404 3.156 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000561112549 459420806 /nfs/dbraw/zinc/42/08/06/459420806.db2.gz OHRWSJAJUBBOCU-LLVKDONJSA-N 0 0 347.346 3.421 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC000561118539 459421882 /nfs/dbraw/zinc/42/18/82/459421882.db2.gz DHPGVAVYUVMWDJ-UHFFFAOYSA-N 0 0 349.293 3.057 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595749258 459424400 /nfs/dbraw/zinc/42/44/00/459424400.db2.gz JIWKTVWFMYBIFE-OAHLLOKOSA-N 0 0 344.333 3.351 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595782788 459438329 /nfs/dbraw/zinc/43/83/29/459438329.db2.gz MDWXEGGZLOLKQD-KCXAZCMYSA-N 0 0 335.404 3.303 10 5 EGBERN COc1ccc(CNC(=O)Cc2c(C)cccc2Cl)cc1[N+](=O)[O-] ZINC000485799641 459470506 /nfs/dbraw/zinc/47/05/06/459470506.db2.gz WFPZRCZFHINEQL-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC1CCN(CC(F)F)CC1)CCCC2 ZINC000591903649 459473614 /nfs/dbraw/zinc/47/36/14/459473614.db2.gz HVPOBWHAPUWFJZ-UHFFFAOYSA-N 0 0 340.374 3.010 10 5 EGBERN O=[N+]([O-])c1ccccc1CNc1nc(C2CC2)ncc1Br ZINC000596083250 459514211 /nfs/dbraw/zinc/51/42/11/459514211.db2.gz RCJBLTKWRQXHNF-UHFFFAOYSA-N 0 0 349.188 3.059 10 5 EGBERN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592032290 459514199 /nfs/dbraw/zinc/51/41/99/459514199.db2.gz JYJRKWUPEUHAHL-NSHDSACASA-N 0 0 329.347 3.070 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(F)c(F)c2)c1 ZINC000542041726 459523063 /nfs/dbraw/zinc/52/30/63/459523063.db2.gz GRHZZUQQYFEDAJ-UHFFFAOYSA-N 0 0 336.294 3.296 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@@H]2O)c1 ZINC000542043566 459523296 /nfs/dbraw/zinc/52/32/96/459523296.db2.gz KCNOYKKNQJBTID-WBMJQRKESA-N 0 0 336.388 3.125 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137716 459533738 /nfs/dbraw/zinc/53/37/38/459533738.db2.gz CHOMWWPWGMLJDO-DTORHVGOSA-N 0 0 344.820 3.365 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000596156040 459540781 /nfs/dbraw/zinc/54/07/81/459540781.db2.gz ZTRLIWXEQZGZFR-PSVSLLHZSA-N 0 0 341.367 3.059 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596166141 459544378 /nfs/dbraw/zinc/54/43/78/459544378.db2.gz QHAMERQPNRMHMI-UHFFFAOYSA-N 0 0 344.795 3.286 10 5 EGBERN COCCC1(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596166189 459544882 /nfs/dbraw/zinc/54/48/82/459544882.db2.gz QTAFJTZVHRJVHK-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000526098787 459548409 /nfs/dbraw/zinc/54/84/09/459548409.db2.gz JNEPIJBMWXYSCA-GJZGRUSLSA-N 0 0 325.368 3.131 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000596186629 459554250 /nfs/dbraw/zinc/55/42/50/459554250.db2.gz SURIWBWYFQLSCO-VIFPVBQESA-N 0 0 328.752 3.016 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000542436377 459557055 /nfs/dbraw/zinc/55/70/55/459557055.db2.gz KZOMVERCOYCCGL-AWEZNQCLSA-N 0 0 342.399 3.379 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596206138 459559820 /nfs/dbraw/zinc/55/98/20/459559820.db2.gz MRDCMCQCPKWRKX-VIFPVBQESA-N 0 0 342.779 3.039 10 5 EGBERN Cc1ccc(CC2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000596211118 459561079 /nfs/dbraw/zinc/56/10/79/459561079.db2.gz QNUGYSAVZUFLQH-UHFFFAOYSA-N 0 0 339.395 3.287 10 5 EGBERN CC[C@]1(CO)CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596211140 459561707 /nfs/dbraw/zinc/56/17/07/459561707.db2.gz YZZAZKPYTXNJLT-HNNXBMFYSA-N 0 0 328.796 3.246 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596229898 459568286 /nfs/dbraw/zinc/56/82/86/459568286.db2.gz RHKANAMTHFOTJI-UWVGGRQHSA-N 0 0 342.779 3.119 10 5 EGBERN CCOC1CC(N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596245287 459573480 /nfs/dbraw/zinc/57/34/80/459573480.db2.gz WUQPRNDAPYSWHC-UHFFFAOYSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)[C@]1(C)CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596276090 459581698 /nfs/dbraw/zinc/58/16/98/459581698.db2.gz FIFXOHPBKRUGTP-OAHLLOKOSA-N 0 0 342.779 3.036 10 5 EGBERN CCc1cc(CCCn2ccc3c(cccc3[N+](=O)[O-])c2=O)on1 ZINC000596296809 459588133 /nfs/dbraw/zinc/58/81/33/459588133.db2.gz CIROVGNVGIFGCO-UHFFFAOYSA-N 0 0 327.340 3.093 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](c4ccccn4)C3)c21 ZINC000596307375 459590827 /nfs/dbraw/zinc/59/08/27/459590827.db2.gz VMRMSDKKXBOODN-CYBMUJFWSA-N 0 0 335.367 3.317 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncnn21 ZINC000596345063 459602412 /nfs/dbraw/zinc/60/24/12/459602412.db2.gz YZSDPWZINCMJTG-OIBJUYFYSA-N 0 0 327.266 3.323 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596366156 459609836 /nfs/dbraw/zinc/60/98/36/459609836.db2.gz AWHRIKZBUOXVCB-XPKDYRNWSA-N 0 0 345.399 3.121 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596369148 459611041 /nfs/dbraw/zinc/61/10/41/459611041.db2.gz OAQZEBVHBLWIKS-ZKYQVNSYSA-N 0 0 328.796 3.226 10 5 EGBERN C[C@H]1COC2(CCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596435067 459635360 /nfs/dbraw/zinc/63/53/60/459635360.db2.gz AOSUYIQVMWAIJB-JTQLQIEISA-N 0 0 328.315 3.344 10 5 EGBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CO1 ZINC000596447553 459639472 /nfs/dbraw/zinc/63/94/72/459639472.db2.gz WWYSNEPOWIVXSL-OAHLLOKOSA-N 0 0 343.383 3.133 10 5 EGBERN CC[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000592603367 459642064 /nfs/dbraw/zinc/64/20/64/459642064.db2.gz UCVYKNXLPYOKBC-WBMJQRKESA-N 0 0 342.399 3.255 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc4c(c3)CCOC4)cc2N1 ZINC000596486116 459652890 /nfs/dbraw/zinc/65/28/90/459652890.db2.gz TWYZKUBKGSEGNP-UHFFFAOYSA-N 0 0 339.351 3.296 10 5 EGBERN CC(=O)c1ccc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000596486539 459653523 /nfs/dbraw/zinc/65/35/23/459653523.db2.gz MLQGXXVSFFMMKI-HOTGVXAUSA-N 0 0 342.399 3.354 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCc3ccc(O)cc32)cc(C)c1[N+](=O)[O-] ZINC000596487785 459654357 /nfs/dbraw/zinc/65/43/57/459654357.db2.gz FBBYLSDANGEVMY-MRXNPFEDSA-N 0 0 342.351 3.495 10 5 EGBERN Nc1cc(N[C@@H]2C[C@H]2c2ccccc2Cl)cc(CO)c1[N+](=O)[O-] ZINC000596496461 459657031 /nfs/dbraw/zinc/65/70/31/459657031.db2.gz DJTSUITYFRUEBA-SWLSCSKDSA-N 0 0 333.775 3.291 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(F)c2)CCC1 ZINC000592675507 459662024 /nfs/dbraw/zinc/66/20/24/459662024.db2.gz FWFWOGLIPVYDEX-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN CC1(C)[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000596513250 459662222 /nfs/dbraw/zinc/66/22/22/459662222.db2.gz SFOUFTGYIJYQGW-MRVPVSSYSA-N 0 0 336.136 3.456 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3C[C@@H](O)C34CCC4)n2)cc1 ZINC000596515549 459662886 /nfs/dbraw/zinc/66/28/86/459662886.db2.gz ZKKFIXAQLDZWNU-ZIAGYGMSSA-N 0 0 331.397 3.434 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2CCC(O)CC2)nc1-c1ccc(F)cc1 ZINC000596516446 459663682 /nfs/dbraw/zinc/66/36/82/459663682.db2.gz WDQDGKAUAHZTRM-UHFFFAOYSA-N 0 0 345.374 3.181 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4COC[C@H]4C3)n2)cc1 ZINC000596529384 459668385 /nfs/dbraw/zinc/66/83/85/459668385.db2.gz RMDAQPZDSWQLNY-QWHCGFSZSA-N 0 0 331.397 3.191 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000592696859 459669072 /nfs/dbraw/zinc/66/90/72/459669072.db2.gz HILSARRTGYWHNB-OTVXOJSOSA-N 0 0 345.399 3.012 10 5 EGBERN CC(C)(C)C(F)(F)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596543285 459671296 /nfs/dbraw/zinc/67/12/96/459671296.db2.gz QPGHRJFGDYMMSV-UHFFFAOYSA-N 0 0 326.303 3.337 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596554771 459675390 /nfs/dbraw/zinc/67/53/90/459675390.db2.gz LYBYHPLDEQURJD-CABZTGNLSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555650 459675455 /nfs/dbraw/zinc/67/54/55/459675455.db2.gz SBJBKWDZYCNQAC-IONNQARKSA-N 0 0 339.701 3.189 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000592719953 459676070 /nfs/dbraw/zinc/67/60/70/459676070.db2.gz DGMBTMRKEMETMT-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592723509 459676977 /nfs/dbraw/zinc/67/69/77/459676977.db2.gz ZSAJWXZPPLSZBJ-UHFFFAOYSA-N 0 0 349.406 3.453 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592721992 459677131 /nfs/dbraw/zinc/67/71/31/459677131.db2.gz NOFCBGAQNAMTER-UHFFFAOYSA-N 0 0 331.347 3.401 10 5 EGBERN CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCc2ncsc2C1 ZINC000592734548 459678774 /nfs/dbraw/zinc/67/87/74/459678774.db2.gz JJPMDUBIJFMHBT-LLVKDONJSA-N 0 0 349.412 3.444 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@H]1C1CCC1 ZINC000592733704 459678891 /nfs/dbraw/zinc/67/88/91/459678891.db2.gz AUOCPUDLYAQFKG-ZDUSSCGKSA-N 0 0 332.356 3.118 10 5 EGBERN C[C@H](O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000596567758 459679330 /nfs/dbraw/zinc/67/93/30/459679330.db2.gz VOOYZMJFTFOGER-VOJFVSQTSA-N 0 0 341.367 3.014 10 5 EGBERN Cc1cc(N2CCO[C@@](C)(C(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596571451 459681187 /nfs/dbraw/zinc/68/11/87/459681187.db2.gz FBTDUVLOIUEJGE-MRXNPFEDSA-N 0 0 337.326 3.312 10 5 EGBERN CCOc1cccc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000596572155 459681606 /nfs/dbraw/zinc/68/16/06/459681606.db2.gz CIWJBSRVNGNXPL-BMIGLBTASA-N 0 0 330.331 3.242 10 5 EGBERN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596572645 459682106 /nfs/dbraw/zinc/68/21/06/459682106.db2.gz OFERZRJLUQMJFS-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cn1 ZINC000592826750 459699145 /nfs/dbraw/zinc/69/91/45/459699145.db2.gz QQOKHGXLEAHJPH-UHFFFAOYSA-N 0 0 330.344 3.071 10 5 EGBERN Cc1ccc(NC(=O)C2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000596618546 459700511 /nfs/dbraw/zinc/70/05/11/459700511.db2.gz CZOVLASKSXNSEC-UHFFFAOYSA-N 0 0 332.278 3.201 10 5 EGBERN Cc1ccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000596620961 459701414 /nfs/dbraw/zinc/70/14/14/459701414.db2.gz QMAAKJNWZHRFHB-AWEZNQCLSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1nc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)[nH]c1C ZINC000596620936 459701551 /nfs/dbraw/zinc/70/15/51/459701551.db2.gz JIQHCIPFGQCNSY-UHFFFAOYSA-N 0 0 327.344 3.311 10 5 EGBERN Cc1ccc(NC(=O)NCc2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000596626289 459703297 /nfs/dbraw/zinc/70/32/97/459703297.db2.gz LIEOPQFRJAVOBQ-UHFFFAOYSA-N 0 0 343.387 3.226 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592856317 459704155 /nfs/dbraw/zinc/70/41/55/459704155.db2.gz ZYRYUPGZGORSNS-WBMJQRKESA-N 0 0 340.445 3.133 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000584301554 459705158 /nfs/dbraw/zinc/70/51/58/459705158.db2.gz XEUWEMLMDSOWOT-LBPRGKRZSA-N 0 0 329.331 3.067 10 5 EGBERN Cc1c(NC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636887 459707936 /nfs/dbraw/zinc/70/79/36/459707936.db2.gz YFJGGWCXXOWJTB-VFZGTOFNSA-N 0 0 343.330 3.180 10 5 EGBERN Cn1c(C(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592899806 459716087 /nfs/dbraw/zinc/71/60/87/459716087.db2.gz DKSBKYZEVBTYQG-KRWDZBQOSA-N 0 0 337.379 3.467 10 5 EGBERN CC(C)[C@H]1N(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592903999 459718132 /nfs/dbraw/zinc/71/81/32/459718132.db2.gz YHIYIXYPKUWUHP-QGZVFWFLSA-N 0 0 329.400 3.210 10 5 EGBERN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cscn1 ZINC000596745357 459749908 /nfs/dbraw/zinc/74/99/08/459749908.db2.gz ZQQZUDCMOXOSHV-NSHDSACASA-N 0 0 346.412 3.487 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000584480024 459752313 /nfs/dbraw/zinc/75/23/13/459752313.db2.gz OUSYAZKOQKKIQO-MRXNPFEDSA-N 0 0 339.395 3.247 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593057045 459757933 /nfs/dbraw/zinc/75/79/33/459757933.db2.gz JLQNQUBBEIGNHF-ZMZPIMSZSA-N 0 0 328.343 3.326 10 5 EGBERN Cc1ccc(OCCCN2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000544444950 459761783 /nfs/dbraw/zinc/76/17/83/459761783.db2.gz TXXPBAQWSPCBPC-UHFFFAOYSA-N 0 0 341.411 3.434 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC3(CC3(F)F)CC2)c1 ZINC000593073047 459765135 /nfs/dbraw/zinc/76/51/35/459765135.db2.gz OHBFCPCNBSZAMV-UHFFFAOYSA-N 0 0 340.326 3.003 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596824918 459771201 /nfs/dbraw/zinc/77/12/01/459771201.db2.gz SAECRAVUQCXVJR-NSHDSACASA-N 0 0 347.293 3.088 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1(F)F ZINC000596826464 459772559 /nfs/dbraw/zinc/77/25/59/459772559.db2.gz POPYOLDAAOUDAJ-HNNXBMFYSA-N 0 0 339.342 3.314 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593167608 459794166 /nfs/dbraw/zinc/79/41/66/459794166.db2.gz AYLSDPVFRZUNBR-KOLCDFICSA-N 0 0 348.296 3.466 10 5 EGBERN COc1ccc(Cc2nc(-c3cc(C)cc(C)n3)no2)cc1[N+](=O)[O-] ZINC000544988453 459796129 /nfs/dbraw/zinc/79/61/29/459796129.db2.gz MAZGKZZHVDZYKU-UHFFFAOYSA-N 0 0 340.339 3.256 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3Cl)CCC2)n1 ZINC000593200878 459805711 /nfs/dbraw/zinc/80/57/11/459805711.db2.gz RSDDIEUSKNTDMA-UHFFFAOYSA-N 0 0 348.790 3.274 10 5 EGBERN C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593219745 459810514 /nfs/dbraw/zinc/81/05/14/459810514.db2.gz XKEKLDRFQBGBJX-LBPRGKRZSA-N 0 0 331.397 3.243 10 5 EGBERN Cc1c(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cccc1[N+](=O)[O-] ZINC000593237143 459816221 /nfs/dbraw/zinc/81/62/21/459816221.db2.gz JWYHUFUKICYUCY-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593280481 459827972 /nfs/dbraw/zinc/82/79/72/459827972.db2.gz JAVNDEJEGBCGJT-KRWDZBQOSA-N 0 0 344.367 3.276 10 5 EGBERN CC(C)SCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092467 459835383 /nfs/dbraw/zinc/83/53/83/459835383.db2.gz MMHVJOZAMNSPRR-UHFFFAOYSA-N 0 0 332.813 3.094 10 5 EGBERN CC1(C)[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1(F)F ZINC000597092553 459835656 /nfs/dbraw/zinc/83/56/56/459835656.db2.gz OFESNILUKQVCIT-VIFPVBQESA-N 0 0 348.737 3.243 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597097145 459836390 /nfs/dbraw/zinc/83/63/90/459836390.db2.gz DGBQNJVGYPZQTG-VIFPVBQESA-N 0 0 326.784 3.340 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCS1 ZINC000597105073 459837280 /nfs/dbraw/zinc/83/72/80/459837280.db2.gz VSPLYOXPVGGMSV-SECBINFHSA-N 0 0 344.824 3.190 10 5 EGBERN CSc1cccc(C(=O)N2C[C@H](C)OCC23CCC3)c1[N+](=O)[O-] ZINC000593321453 459841301 /nfs/dbraw/zinc/84/13/01/459841301.db2.gz XDOPEHGSQUNAQI-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593328070 459845858 /nfs/dbraw/zinc/84/58/58/459845858.db2.gz SXVFVDRRQFCSPK-CYBMUJFWSA-N 0 0 342.370 3.465 10 5 EGBERN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000593331166 459847565 /nfs/dbraw/zinc/84/75/65/459847565.db2.gz CZBYQRNAISAIOV-AWEZNQCLSA-N 0 0 348.355 3.158 10 5 EGBERN O=C([O-])C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000593333048 459849321 /nfs/dbraw/zinc/84/93/21/459849321.db2.gz QFNUYULWPWBNSE-UHFFFAOYSA-N 0 0 330.340 3.151 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCc2ccc(F)cc21 ZINC000593355188 459860217 /nfs/dbraw/zinc/86/02/17/459860217.db2.gz WTCBUGLQRZTSLI-CYBMUJFWSA-N 0 0 342.370 3.465 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593360279 459862857 /nfs/dbraw/zinc/86/28/57/459862857.db2.gz SXEMTKSHKSPQIQ-HZMBPMFUSA-N 0 0 342.367 3.333 10 5 EGBERN CC[C@@H](NC(=O)N1CCC([C@H](C)CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593370253 459868978 /nfs/dbraw/zinc/86/89/78/459868978.db2.gz KEIKTSFZJJIDMH-CXAGYDPISA-N 0 0 349.431 3.096 10 5 EGBERN CC[C@H](NC(=O)N1CCC([C@H](C)CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593370254 459869089 /nfs/dbraw/zinc/86/90/89/459869089.db2.gz KEIKTSFZJJIDMH-DYVFJYSZSA-N 0 0 349.431 3.096 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598348318 459873803 /nfs/dbraw/zinc/87/38/03/459873803.db2.gz FGDOSSXGRRQSKD-XOKHGSTOSA-N 0 0 344.411 3.258 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000598349088 459875003 /nfs/dbraw/zinc/87/50/03/459875003.db2.gz KUWGEFUZVFYRSS-HUUCEWRRSA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598351203 459876358 /nfs/dbraw/zinc/87/63/58/459876358.db2.gz NFZBEWSARBJJHV-IRXDYDNUSA-N 0 0 328.368 3.083 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598353418 459877131 /nfs/dbraw/zinc/87/71/31/459877131.db2.gz SNDLFUIAHQWDCN-RBUKOAKNSA-N 0 0 342.395 3.012 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000598362592 459879021 /nfs/dbraw/zinc/87/90/21/459879021.db2.gz COFHCLXUFGOAIC-UHFFFAOYSA-N 0 0 340.379 3.434 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC[C@H]1CCO ZINC000586835101 459883947 /nfs/dbraw/zinc/88/39/47/459883947.db2.gz FCXIVHCKBUYNGN-IRXDYDNUSA-N 0 0 348.443 3.317 10 5 EGBERN CCOc1cc(C(=O)N[C@H](C(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000598382072 459884230 /nfs/dbraw/zinc/88/42/30/459884230.db2.gz WCWKRGKOAKQTCB-MRXNPFEDSA-N 0 0 336.388 3.167 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1C[C@H]1C1CCOCC1 ZINC000602311037 459891693 /nfs/dbraw/zinc/89/16/93/459891693.db2.gz JAQLDJSPMCMNHH-UONOGXRCSA-N 0 0 341.367 3.144 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976035 459897520 /nfs/dbraw/zinc/89/75/20/459897520.db2.gz LCKCROLGONQEED-DNVCBOLYSA-N 0 0 342.395 3.436 10 5 EGBERN CCCCO[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(C)C ZINC000587991575 459898832 /nfs/dbraw/zinc/89/88/32/459898832.db2.gz UNZRKSNUGSATFI-HUUCEWRRSA-N 0 0 337.420 3.065 10 5 EGBERN CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609042265 459901420 /nfs/dbraw/zinc/90/14/20/459901420.db2.gz WRFKMXFVDFEHOW-GHMZBOCLSA-N 0 0 332.447 3.294 10 5 EGBERN COc1ccc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)nc1 ZINC000593482340 459902403 /nfs/dbraw/zinc/90/24/03/459902403.db2.gz VOIQBDCAEKLBEC-UHFFFAOYSA-N 0 0 342.399 3.394 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC000597278048 459902828 /nfs/dbraw/zinc/90/28/28/459902828.db2.gz ATERDRDHZSNPRQ-HNNXBMFYSA-N 0 0 341.415 3.407 10 5 EGBERN CCCCC[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598459789 459903003 /nfs/dbraw/zinc/90/30/03/459903003.db2.gz HZVWZVCWHFCOHB-HNNXBMFYSA-N 0 0 336.436 3.451 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(CCC1CC1)CC1CC1 ZINC000598466811 459904624 /nfs/dbraw/zinc/90/46/24/459904624.db2.gz WDUWWLRLRJYFDF-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN CC(C)(C)OC(=O)CC1(Nc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000593492605 459905782 /nfs/dbraw/zinc/90/57/82/459905782.db2.gz AKXMIWRUBLKKEE-UHFFFAOYSA-N 0 0 325.340 3.195 10 5 EGBERN Nc1cc(NCC2CC(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588044304 459906254 /nfs/dbraw/zinc/90/62/54/459906254.db2.gz YJONXVCPSASQPE-UHFFFAOYSA-N 0 0 327.384 3.275 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593495017 459906639 /nfs/dbraw/zinc/90/66/39/459906639.db2.gz SJQKFKHXHDDRSB-UHFFFAOYSA-N 0 0 334.269 3.474 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000588068310 459908609 /nfs/dbraw/zinc/90/86/09/459908609.db2.gz FZVMHGKQECEYJR-RNCFNFMXSA-N 0 0 341.289 3.299 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC(C)(C)C ZINC000609197275 459923214 /nfs/dbraw/zinc/92/32/14/459923214.db2.gz NXVJKYQOGQVHAZ-UHFFFAOYSA-N 0 0 344.433 3.098 10 5 EGBERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598506901 459924702 /nfs/dbraw/zinc/92/47/02/459924702.db2.gz HJDKOMJPSLAHCH-ZYHUDNBSSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC1(F)F ZINC000588180138 459926863 /nfs/dbraw/zinc/92/68/63/459926863.db2.gz JVNDWYUXDMDNRT-CABZTGNLSA-N 0 0 330.356 3.379 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](CC2CC2)c2ccccc2)c1[N+](=O)[O-] ZINC000618220186 459934509 /nfs/dbraw/zinc/93/45/09/459934509.db2.gz RHNOHBBNYVIHKQ-AWEZNQCLSA-N 0 0 328.372 3.152 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC1(F)F ZINC000588232681 459935563 /nfs/dbraw/zinc/93/55/63/459935563.db2.gz VUXMPHWCKDBQRB-ZWNOBZJWSA-N 0 0 327.331 3.089 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570661 459943135 /nfs/dbraw/zinc/94/31/35/459943135.db2.gz GBRUXSYQURJFGL-INIZCTEOSA-N 0 0 342.342 3.214 10 5 EGBERN CO[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 ZINC000597411159 459945267 /nfs/dbraw/zinc/94/52/67/459945267.db2.gz UQBDSPJMRUHWIM-KRWDZBQOSA-N 0 0 332.400 3.291 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000618286846 459956636 /nfs/dbraw/zinc/95/66/36/459956636.db2.gz QUJHJGCJOPBJJC-CYBMUJFWSA-N 0 0 348.790 3.349 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598608101 459962880 /nfs/dbraw/zinc/96/28/80/459962880.db2.gz FFLPAMMWZFFDDX-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CC[C@@H]1COC(C)(C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593791633 459988410 /nfs/dbraw/zinc/98/84/10/459988410.db2.gz WJOCRIXUIHUEQN-LLVKDONJSA-N 0 0 331.372 3.106 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nccn2c1 ZINC000609618947 459996120 /nfs/dbraw/zinc/99/61/20/459996120.db2.gz MFCGYXMZLWADRE-NSHDSACASA-N 0 0 342.380 3.362 10 5 EGBERN CCN(C[C@H]1CCOC1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000618445597 460012950 /nfs/dbraw/zinc/01/29/50/460012950.db2.gz DKRZLKQRRPQXOJ-LLVKDONJSA-N 0 0 326.780 3.055 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000618449181 460014136 /nfs/dbraw/zinc/01/41/36/460014136.db2.gz NSBAGXLORUMNHW-ZDUSSCGKSA-N 0 0 348.790 3.230 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2ccccc2C1 ZINC000609784114 460017406 /nfs/dbraw/zinc/01/74/06/460017406.db2.gz YYAPHPBHUGLKFS-HNNXBMFYSA-N 0 0 344.798 3.464 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(C(C)(C)C)n1 ZINC000593960501 460029562 /nfs/dbraw/zinc/02/95/62/460029562.db2.gz CYPKQBXOWRFTIP-NSHDSACASA-N 0 0 328.372 3.138 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC2(F)F)cc1SC ZINC000598781527 460032409 /nfs/dbraw/zinc/03/24/09/460032409.db2.gz JZCPXUJIVAJVBJ-MRVPVSSYSA-N 0 0 346.355 3.100 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1 ZINC000609894396 460036702 /nfs/dbraw/zinc/03/67/02/460036702.db2.gz YCRNMVIUBBVQEV-UHFFFAOYSA-N 0 0 328.372 3.161 10 5 EGBERN Cc1cccc(C(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000609899128 460036728 /nfs/dbraw/zinc/03/67/28/460036728.db2.gz VSNZDOFMNBGERO-UHFFFAOYSA-N 0 0 340.426 3.178 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000598801216 460040307 /nfs/dbraw/zinc/04/03/07/460040307.db2.gz JUAOODRUSCRBSP-CQSZACIVSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000597728696 460040554 /nfs/dbraw/zinc/04/05/54/460040554.db2.gz YDCTXNFGGFNYKN-MRXNPFEDSA-N 0 0 338.363 3.391 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1cccnc1 ZINC000598806287 460043227 /nfs/dbraw/zinc/04/32/27/460043227.db2.gz VQJNXXRHQDXDCH-CYBMUJFWSA-N 0 0 325.368 3.290 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000589187275 460047553 /nfs/dbraw/zinc/04/75/53/460047553.db2.gz UVJBAGSAFLXCJL-JDRNFJBZSA-N 0 0 330.306 3.260 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCO1 ZINC000598825962 460053845 /nfs/dbraw/zinc/05/38/45/460053845.db2.gz AYVISUDSYJPHNJ-IAQYHMDHSA-N 0 0 329.356 3.287 10 5 EGBERN Cc1ccc(COCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000598837008 460059207 /nfs/dbraw/zinc/05/92/07/460059207.db2.gz AWDAEEBCUOMZDR-UHFFFAOYSA-N 0 0 342.395 3.471 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccsc2)C(C)(C)C)n1 ZINC000598852315 460067829 /nfs/dbraw/zinc/06/78/29/460067829.db2.gz IMSFWQYNULPZME-UHFFFAOYSA-N 0 0 336.417 3.314 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598873690 460078803 /nfs/dbraw/zinc/07/88/03/460078803.db2.gz YWRWQEPFENZSNM-ZDUSSCGKSA-N 0 0 332.400 3.304 10 5 EGBERN CSc1cccc(C(=O)NC[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000597866675 460086264 /nfs/dbraw/zinc/08/62/64/460086264.db2.gz YMALPAKYOHSXEF-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000610222531 460087033 /nfs/dbraw/zinc/08/70/33/460087033.db2.gz USBBGERPEBMYKE-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN CCn1nc(C)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000610233881 460090808 /nfs/dbraw/zinc/09/08/08/460090808.db2.gz BASLPIIVXHFETB-MRXNPFEDSA-N 0 0 346.412 3.007 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC12CCCCC2 ZINC000597874366 460091134 /nfs/dbraw/zinc/09/11/34/460091134.db2.gz ONHNNILIEBXHGQ-CQSZACIVSA-N 0 0 334.420 3.109 10 5 EGBERN COc1cc(N2CCc3nc(C(C)C)ncc3C2)c([N+](=O)[O-])cc1F ZINC000598942851 460097616 /nfs/dbraw/zinc/09/76/16/460097616.db2.gz PMJQLSAYDKYFMQ-UHFFFAOYSA-N 0 0 346.362 3.219 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC=C(c3ccco3)C2)c1 ZINC000589516709 460098348 /nfs/dbraw/zinc/09/83/48/460098348.db2.gz SKKISHMZECXXRH-UHFFFAOYSA-N 0 0 342.351 3.264 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594095618 460099435 /nfs/dbraw/zinc/09/94/35/460099435.db2.gz ZODDCAIJWLNZST-HOCLYGCPSA-N 0 0 349.387 3.073 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589530617 460100136 /nfs/dbraw/zinc/10/01/36/460100136.db2.gz UGKARGUCUYBNDS-UHFFFAOYSA-N 0 0 345.399 3.130 10 5 EGBERN COc1cc(C)c(C)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000597943868 460121430 /nfs/dbraw/zinc/12/14/30/460121430.db2.gz FFFJUFCTBUNMIC-UHFFFAOYSA-N 0 0 332.360 3.319 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594142647 460124930 /nfs/dbraw/zinc/12/49/30/460124930.db2.gz YQSIUEHGJWEBDH-GFCCVEGCSA-N 0 0 342.823 3.358 10 5 EGBERN CC[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680457 460126063 /nfs/dbraw/zinc/12/60/63/460126063.db2.gz PNXOSKMOFGPHNN-ZDUSSCGKSA-N 0 0 344.415 3.450 10 5 EGBERN CC1=C(C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000589680700 460126373 /nfs/dbraw/zinc/12/63/73/460126373.db2.gz MIQOXEOSHWYJQH-UHFFFAOYSA-N 0 0 342.399 3.370 10 5 EGBERN COCc1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000599013657 460127601 /nfs/dbraw/zinc/12/76/01/460127601.db2.gz LOFXQEABYCDSCX-UHFFFAOYSA-N 0 0 332.356 3.371 10 5 EGBERN Cc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000594154252 460128715 /nfs/dbraw/zinc/12/87/15/460128715.db2.gz OTASEDNJMHGNRO-CQSZACIVSA-N 0 0 342.273 3.459 10 5 EGBERN O=[N+]([O-])c1c(Nc2cnn(C[C@@H]3CCCO3)c2)ccc2cnccc21 ZINC000599026736 460132414 /nfs/dbraw/zinc/13/24/14/460132414.db2.gz YPIRQLWKPSDTTD-AWEZNQCLSA-N 0 0 339.355 3.262 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(C2CC2)C1 ZINC000589756334 460136077 /nfs/dbraw/zinc/13/60/77/460136077.db2.gz BBAYPNNRWOOISP-UHFFFAOYSA-N 0 0 327.287 3.070 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594173059 460136358 /nfs/dbraw/zinc/13/63/58/460136358.db2.gz BAMRMQHOBBQPQK-CVEARBPZSA-N 0 0 334.416 3.336 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000599043347 460138258 /nfs/dbraw/zinc/13/82/58/460138258.db2.gz QJNGCSKLZKEAAJ-OAHLLOKOSA-N 0 0 342.395 3.467 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598014688 460144867 /nfs/dbraw/zinc/14/48/67/460144867.db2.gz LORQHXDQJLQEHZ-NXEZZACHSA-N 0 0 337.426 3.409 10 5 EGBERN C[C@H](NCc1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599061140 460145782 /nfs/dbraw/zinc/14/57/82/460145782.db2.gz OENWGNNAIMYJTC-VIFPVBQESA-N 0 0 328.294 3.198 10 5 EGBERN Cc1c(CC(=O)NC[C@@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594206241 460151259 /nfs/dbraw/zinc/15/12/59/460151259.db2.gz KSRCNLMYDNBXLF-HNNXBMFYSA-N 0 0 332.400 3.054 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594206548 460152242 /nfs/dbraw/zinc/15/22/42/460152242.db2.gz PHUMVZOEMISGCE-ZDUSSCGKSA-N 0 0 348.399 3.215 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000599082890 460155403 /nfs/dbraw/zinc/15/54/03/460155403.db2.gz DSLMVRFHJZEOOO-AWEZNQCLSA-N 0 0 328.368 3.125 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1c1cn[nH]c1 ZINC000599108835 460163284 /nfs/dbraw/zinc/16/32/84/460163284.db2.gz XKBZSTFHEUUOEI-NSHDSACASA-N 0 0 337.177 3.422 10 5 EGBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000599122529 460166802 /nfs/dbraw/zinc/16/68/02/460166802.db2.gz HPDLEOMHGCTPQO-HOTGVXAUSA-N 0 0 325.368 3.298 10 5 EGBERN COc1cc(N2CCC(=O)CC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599137438 460171222 /nfs/dbraw/zinc/17/12/22/460171222.db2.gz MVVVZJCJBDWFJL-UHFFFAOYSA-N 0 0 326.780 3.452 10 5 EGBERN CC[C@H](NC(=O)CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610525784 460174856 /nfs/dbraw/zinc/17/48/56/460174856.db2.gz HBNZGVZIXQHKGN-KRWDZBQOSA-N 0 0 327.384 3.299 10 5 EGBERN Nc1c(C(=O)N[C@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610522413 460175298 /nfs/dbraw/zinc/17/52/98/460175298.db2.gz IKZGJTNLVDHBSA-OAHLLOKOSA-N 0 0 325.368 3.448 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526072 460175398 /nfs/dbraw/zinc/17/53/98/460175398.db2.gz DEJRMHVHIVYUMM-CYBMUJFWSA-N 0 0 327.384 3.187 10 5 EGBERN Nc1cc(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc(CO)c1[N+](=O)[O-] ZINC000599167711 460184694 /nfs/dbraw/zinc/18/46/94/460184694.db2.gz XBSWZFGSYQVBEM-APHBMKBZSA-N 0 0 345.786 3.073 10 5 EGBERN Cc1cc(N2CCO[C@@H](CCF)C2)c(Br)cc1[N+](=O)[O-] ZINC000599169212 460185264 /nfs/dbraw/zinc/18/52/64/460185264.db2.gz RTFZOEKIXKZCRN-JTQLQIEISA-N 0 0 347.184 3.231 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)nc1-c1ccccc1 ZINC000599174632 460188039 /nfs/dbraw/zinc/18/80/39/460188039.db2.gz WGLWYMXSWFRTID-HNAYVOBHSA-N 0 0 339.395 3.256 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCC3(C(F)(F)F)CCCC3)c2c1 ZINC000599184583 460192704 /nfs/dbraw/zinc/19/27/04/460192704.db2.gz IOEKSDMIFTVPDM-UHFFFAOYSA-N 0 0 340.305 3.495 10 5 EGBERN C[C@@H](c1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1)c1cnccn1 ZINC000599194067 460194611 /nfs/dbraw/zinc/19/46/11/460194611.db2.gz OOPKTGNEFPAKRL-WDEREUQCSA-N 0 0 325.328 3.071 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H](C)c2cnccn2)no1 ZINC000599191592 460194632 /nfs/dbraw/zinc/19/46/32/460194632.db2.gz AJHVKSNENJVSDS-NSHDSACASA-N 0 0 325.328 3.203 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C1CCC1 ZINC000599200143 460196983 /nfs/dbraw/zinc/19/69/83/460196983.db2.gz YAFYQCVNKKVUKT-GFCCVEGCSA-N 0 0 343.305 3.179 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203045 460198164 /nfs/dbraw/zinc/19/81/64/460198164.db2.gz XJROROTVXJTOBG-DLRQAJBASA-N 0 0 344.458 3.242 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000599202452 460198600 /nfs/dbraw/zinc/19/86/00/460198600.db2.gz SWOAEQAABMFYFG-LQPUYASZSA-N 0 0 333.388 3.349 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594389921 460203245 /nfs/dbraw/zinc/20/32/45/460203245.db2.gz WXZPIGXDSYYCRX-UHFFFAOYSA-N 0 0 345.305 3.138 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000598212516 460206365 /nfs/dbraw/zinc/20/63/65/460206365.db2.gz KBXUEGUQGGDGTN-AAEUAGOBSA-N 0 0 338.429 3.394 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000598221762 460211163 /nfs/dbraw/zinc/21/11/63/460211163.db2.gz URUDATSNQGZKCU-AWEZNQCLSA-N 0 0 338.379 3.270 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000598229054 460214028 /nfs/dbraw/zinc/21/40/28/460214028.db2.gz IQDDTMVQNLQYHB-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC(CC(F)(F)F)C1 ZINC000610770301 460234315 /nfs/dbraw/zinc/23/43/15/460234315.db2.gz UILRXEUHXKFZJO-UHFFFAOYSA-N 0 0 340.099 3.141 10 5 EGBERN COC(=O)CCN(Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000610909919 460259130 /nfs/dbraw/zinc/25/91/30/460259130.db2.gz NZIHZMUYORAMIE-UHFFFAOYSA-N 0 0 332.331 3.304 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599527485 460268589 /nfs/dbraw/zinc/26/85/89/460268589.db2.gz BFXHFWCVLFVJEC-DLGQBQFBSA-N 0 0 342.392 3.101 10 5 EGBERN COC(=O)[C@@](C)(NCc1cc(C)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599644201 460296651 /nfs/dbraw/zinc/29/66/51/460296651.db2.gz UHZNBOISRNCCJN-IBGZPJMESA-N 0 0 342.395 3.390 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)CO2 ZINC000599702490 460316612 /nfs/dbraw/zinc/31/66/12/460316612.db2.gz QQBHMDRGNWXPCV-ZDUSSCGKSA-N 0 0 341.367 3.337 10 5 EGBERN CSc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000611246993 460316666 /nfs/dbraw/zinc/31/66/66/460316666.db2.gz QSKWZVGMOPVOKR-UHFFFAOYSA-N 0 0 332.385 3.076 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603524194 460317017 /nfs/dbraw/zinc/31/70/17/460317017.db2.gz UQNZSUHIMVXPIZ-LBPRGKRZSA-N 0 0 342.351 3.465 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2cccnc2)CC1 ZINC000611255038 460318792 /nfs/dbraw/zinc/31/87/92/460318792.db2.gz NQXOBFKCTAPKBY-UHFFFAOYSA-N 0 0 326.356 3.401 10 5 EGBERN CCC[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OCC ZINC000599801333 460336566 /nfs/dbraw/zinc/33/65/66/460336566.db2.gz ORVHOMRKXABJIU-SNVBAGLBSA-N 0 0 344.799 3.157 10 5 EGBERN COCCN(CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830433 460343389 /nfs/dbraw/zinc/34/33/89/460343389.db2.gz HYBKKDQPZZOWTB-UHFFFAOYSA-N 0 0 346.387 3.279 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCCOC1 ZINC000599833575 460344908 /nfs/dbraw/zinc/34/49/08/460344908.db2.gz UMQCJENSSKPLLE-RYUDHWBXSA-N 0 0 344.371 3.080 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837395 460345465 /nfs/dbraw/zinc/34/54/65/460345465.db2.gz COTUZDQEYKHJEN-BDJLRTHQSA-N 0 0 346.387 3.326 10 5 EGBERN CCOC(=O)[C@@H](CNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611412209 460359181 /nfs/dbraw/zinc/35/91/81/460359181.db2.gz DZDRIRUWJNKEGS-CYBMUJFWSA-N 0 0 334.397 3.490 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1C1CCOCC1 ZINC000611479948 460373340 /nfs/dbraw/zinc/37/33/40/460373340.db2.gz MAAQIKZGZWIUPM-KRWDZBQOSA-N 0 0 343.383 3.107 10 5 EGBERN C[C@@H](OCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525391 460387655 /nfs/dbraw/zinc/38/76/55/460387655.db2.gz RXJDMMHAAMBSOR-CYBMUJFWSA-N 0 0 345.399 3.249 10 5 EGBERN C[C@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590182 460391824 /nfs/dbraw/zinc/39/18/24/460391824.db2.gz NQPXRPALNLHIHE-AAEUAGOBSA-N 0 0 331.397 3.258 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000611578387 460408526 /nfs/dbraw/zinc/40/85/26/460408526.db2.gz CDRQIWGLNIIFIO-CYBMUJFWSA-N 0 0 330.331 3.197 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611593633 460412878 /nfs/dbraw/zinc/41/28/78/460412878.db2.gz VBZBOXVABVXQKR-SNVBAGLBSA-N 0 0 329.303 3.139 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n1 ZINC000611617420 460414971 /nfs/dbraw/zinc/41/49/71/460414971.db2.gz QDXNWERMIUUQJQ-CABCVRRESA-N 0 0 331.347 3.058 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000611617477 460415063 /nfs/dbraw/zinc/41/50/63/460415063.db2.gz ZKARTDVMTJZTGA-DOMZBBRYSA-N 0 0 349.337 3.197 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1C[C@H]1C(F)(F)F ZINC000619698214 460417398 /nfs/dbraw/zinc/41/73/98/460417398.db2.gz KXVGCKFYXPKAPO-PHDIDXHHSA-N 0 0 326.072 3.115 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604531512 460442237 /nfs/dbraw/zinc/44/22/37/460442237.db2.gz HRAZAISDRLRFRD-NSHDSACASA-N 0 0 325.434 3.033 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC(F)(F)CC1 ZINC000600253670 460458629 /nfs/dbraw/zinc/45/86/29/460458629.db2.gz FDGYMAMCHKGLGW-UHFFFAOYSA-N 0 0 334.269 3.063 10 5 EGBERN CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600260075 460460057 /nfs/dbraw/zinc/46/00/57/460460057.db2.gz UNZILPCCFSHFRD-HWPZZCPQSA-N 0 0 332.381 3.107 10 5 EGBERN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc([N+](=O)[O-])c1C ZINC000600271146 460462348 /nfs/dbraw/zinc/46/23/48/460462348.db2.gz IBTDSXYGPSADJV-OLZOCXBDSA-N 0 0 336.413 3.022 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271199 460462485 /nfs/dbraw/zinc/46/24/85/460462485.db2.gz JPXNIQAYZPLOGQ-NEPJUHHUSA-N 0 0 343.408 3.253 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600279492 460463204 /nfs/dbraw/zinc/46/32/04/460463204.db2.gz SDOXQHNWXGQZTP-KGLIPLIRSA-N 0 0 347.440 3.279 10 5 EGBERN C[C@@H](C(=O)N1CCC(=O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600305326 460469128 /nfs/dbraw/zinc/46/91/28/460469128.db2.gz PVPWXIIEJAJXPN-LLVKDONJSA-N 0 0 336.363 3.055 10 5 EGBERN CSc1cccc(C(=O)N2CCC(=O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000600305333 460469180 /nfs/dbraw/zinc/46/91/80/460469180.db2.gz PYEZECMMKSPIHD-UHFFFAOYSA-N 0 0 336.413 3.148 10 5 EGBERN Nc1c(C(=O)Nc2cccc(C3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000600428802 460494935 /nfs/dbraw/zinc/49/49/35/460494935.db2.gz XDCFHMCRFOXBIS-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000600437188 460495376 /nfs/dbraw/zinc/49/53/76/460495376.db2.gz BGPWKABHNZJXOQ-QWHCGFSZSA-N 0 0 332.381 3.098 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600446574 460496495 /nfs/dbraw/zinc/49/64/95/460496495.db2.gz NIPUDCPNAYONPM-VGAUDOQQSA-N 0 0 334.397 3.351 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC000600473597 460500326 /nfs/dbraw/zinc/50/03/26/460500326.db2.gz HELSABWWULXKKK-CQSZACIVSA-N 0 0 330.388 3.316 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000600478631 460503245 /nfs/dbraw/zinc/50/32/45/460503245.db2.gz PEAKODNTLITKHZ-BMGDILEWSA-N 0 0 342.782 3.245 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000600478738 460503314 /nfs/dbraw/zinc/50/33/14/460503314.db2.gz QRZIVNYYEOSMMF-JEBQAFNWSA-N 0 0 342.782 3.245 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600578888 460532458 /nfs/dbraw/zinc/53/24/58/460532458.db2.gz KQZJPZOKXVZMRO-ZSBIGDGJSA-N 0 0 336.413 3.321 10 5 EGBERN CCn1nc(C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000600603640 460542755 /nfs/dbraw/zinc/54/27/55/460542755.db2.gz NVKXVJPFYUDAMS-LLVKDONJSA-N 0 0 334.401 3.239 10 5 EGBERN CN(C)c1ccccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601153159 460733646 /nfs/dbraw/zinc/73/36/46/460733646.db2.gz KIRVWKQESQBNQU-UHFFFAOYSA-N 0 0 343.309 3.025 10 5 EGBERN O=C(c1ccc(F)cc1)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601155587 460734680 /nfs/dbraw/zinc/73/46/80/460734680.db2.gz AZMCBZAKHRGSRC-UHFFFAOYSA-N 0 0 347.321 3.367 10 5 EGBERN CCC(=O)c1ccc(SCC(C)(C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000601212530 460751856 /nfs/dbraw/zinc/75/18/56/460751856.db2.gz GDZBCJAHJMIPHG-UHFFFAOYSA-N 0 0 325.386 3.479 10 5 EGBERN Cc1cc(N2CCC(Oc3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000601216008 460753617 /nfs/dbraw/zinc/75/36/17/460753617.db2.gz FWVLAAHKGBWZLN-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4cccnc4)C3)c21 ZINC000601216950 460754537 /nfs/dbraw/zinc/75/45/37/460754537.db2.gz KDHPMCVCLIKTHK-AWEZNQCLSA-N 0 0 335.367 3.317 10 5 EGBERN COCC1(C2CC2)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000601227573 460757423 /nfs/dbraw/zinc/75/74/23/460757423.db2.gz VLGDVANSKTXYQT-UHFFFAOYSA-N 0 0 330.306 3.476 10 5 EGBERN Cc1cc(N2CCc3nnn(C4CC(C)C4)c3C2)c([N+](=O)[O-])s1 ZINC000601233202 460760267 /nfs/dbraw/zinc/76/02/67/460760267.db2.gz ZJYDXOGSNUMSOE-UHFFFAOYSA-N 0 0 333.417 3.090 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CCC3)[C@@H]3CCCO3)cc2N1 ZINC000601250438 460765492 /nfs/dbraw/zinc/76/54/92/460765492.db2.gz KAWMCUFBCQBGJN-WMZOPIPTSA-N 0 0 345.399 3.239 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CCC3)[C@@H]3CCCO3)c21 ZINC000601250909 460765534 /nfs/dbraw/zinc/76/55/34/460765534.db2.gz SHWQAPYYMNTQRF-GOEBONIOSA-N 0 0 328.372 3.298 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000601280659 460774761 /nfs/dbraw/zinc/77/47/61/460774761.db2.gz HMXPWMBKXYYLHD-UHOFOFEASA-N 0 0 332.400 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cn3c(n2)C[C@H](C)CC3)n1 ZINC000601363614 460795982 /nfs/dbraw/zinc/79/59/82/460795982.db2.gz SWYHWPGUSDRZLC-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN COC1(c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)CCC1 ZINC000601369413 460796855 /nfs/dbraw/zinc/79/68/55/460796855.db2.gz MKUJTHAPHSLNDP-UHFFFAOYSA-N 0 0 329.356 3.473 10 5 EGBERN C[C@H]1CC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)O1 ZINC000601395012 460803642 /nfs/dbraw/zinc/80/36/42/460803642.db2.gz AWNLZVXVBJXEQR-STQMWFEESA-N 0 0 332.400 3.089 10 5 EGBERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601414182 460807181 /nfs/dbraw/zinc/80/71/81/460807181.db2.gz RVQHXKJLWSFYPP-YOEHRIQHSA-N 0 0 346.427 3.026 10 5 EGBERN C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCS1 ZINC000601527614 460824346 /nfs/dbraw/zinc/82/43/46/460824346.db2.gz JAIQSHRTASPKDB-ZDUSSCGKSA-N 0 0 334.441 3.371 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C(F)F ZINC000601601748 460844094 /nfs/dbraw/zinc/84/40/94/460844094.db2.gz GRSJPGBRMLYDCT-SNVBAGLBSA-N 0 0 349.131 3.145 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601639342 460853947 /nfs/dbraw/zinc/85/39/47/460853947.db2.gz IEPHXZKWBWTYQZ-ZBFHGGJFSA-N 0 0 332.400 3.090 10 5 EGBERN COCCC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601680350 460866654 /nfs/dbraw/zinc/86/66/54/460866654.db2.gz PZILFEDEWYFCLU-UHFFFAOYSA-N 0 0 346.427 3.292 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601702145 460876808 /nfs/dbraw/zinc/87/68/08/460876808.db2.gz JTVPOINZUGGVEA-KRWDZBQOSA-N 0 0 343.427 3.260 10 5 EGBERN COC(=O)c1cccc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])c1C ZINC000613273205 460891297 /nfs/dbraw/zinc/89/12/97/460891297.db2.gz BSTJNOHEWCWHTN-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601762876 460891585 /nfs/dbraw/zinc/89/15/85/460891585.db2.gz ANMOEWVPPKOGOB-JTNHKYCSSA-N 0 0 338.429 3.391 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000601769538 460894567 /nfs/dbraw/zinc/89/45/67/460894567.db2.gz RZCHTFLIDFYWEJ-UHFFFAOYSA-N 0 0 338.791 3.055 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn2c1CCCC2 ZINC000601824173 460912651 /nfs/dbraw/zinc/91/26/51/460912651.db2.gz GZOVMHCTHOMCDW-UHFFFAOYSA-N 0 0 328.372 3.305 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCF)CC1 ZINC000601865218 460930422 /nfs/dbraw/zinc/93/04/22/460930422.db2.gz UFUNSKUKVZQKNM-UHFFFAOYSA-N 0 0 347.394 3.449 10 5 EGBERN C[C@@H](C(=O)Nc1ccnn1CC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000601885683 460936719 /nfs/dbraw/zinc/93/67/19/460936719.db2.gz RPECRGXWHLHLDF-LLVKDONJSA-N 0 0 346.362 3.473 10 5 EGBERN Cc1nc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000176452848 534400329 /nfs/dbraw/zinc/40/03/29/534400329.db2.gz BMGVBJWHGQPAOB-LLVKDONJSA-N 0 0 340.426 3.344 10 5 EGBERN CC(C)(C)c1csc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n1 ZINC000158790076 526835990 /nfs/dbraw/zinc/83/59/90/526835990.db2.gz YESNYFGZDFVKBE-UHFFFAOYSA-N 0 0 327.793 3.212 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC1CCOCC1 ZINC000184890241 527526202 /nfs/dbraw/zinc/52/62/02/527526202.db2.gz VZUFYZRDAVYCKX-BUHFOSPRSA-N 0 0 332.400 3.273 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113427 527953640 /nfs/dbraw/zinc/95/36/40/527953640.db2.gz KNDAPSRIALOQQK-ZDUSSCGKSA-N 0 0 339.823 3.129 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357937071 535771268 /nfs/dbraw/zinc/77/12/68/535771268.db2.gz RZIMRRHZPOSHMO-HNNXBMFYSA-N 0 0 344.415 3.120 10 5 EGBERN COc1ccc(-c2nc(COc3ccc(F)cc3[N+](=O)[O-])no2)cc1 ZINC000102599677 536520155 /nfs/dbraw/zinc/52/01/55/536520155.db2.gz WKXFWWHMQYUMOU-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN COc1ccc(-c2nc(COc3c(F)cccc3[N+](=O)[O-])no2)cc1 ZINC000185015284 536520705 /nfs/dbraw/zinc/52/07/05/536520705.db2.gz IYVVVPBEUVFPDB-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN CO[C@@H]1CCC[C@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1 ZINC000361571480 536632972 /nfs/dbraw/zinc/63/29/72/536632972.db2.gz LQLRSLGZNCDSGF-DVOMOZLQSA-N 0 0 332.400 3.468 10 5 EGBERN COCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000191285941 536896514 /nfs/dbraw/zinc/89/65/14/536896514.db2.gz QILBQDLYJQEWAB-UHFFFAOYSA-N 0 0 329.356 3.214 10 5 EGBERN COc1ncccc1-c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000356234415 537148675 /nfs/dbraw/zinc/14/86/75/537148675.db2.gz UECRFGZYZGSTQH-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174521700 547004724 /nfs/dbraw/zinc/00/47/24/547004724.db2.gz GWGKPZOYIUZYRG-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN CCc1[nH]nc(I)c1-c1ccc([N+](=O)[O-])cc1 ZINC000675075945 564113265 /nfs/dbraw/zinc/11/32/65/564113265.db2.gz HDGKAXXIBPUZBR-UHFFFAOYSA-N 0 0 343.124 3.152 10 5 EGBERN CC[C@H](C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000726005784 574521826 /nfs/dbraw/zinc/52/18/26/574521826.db2.gz CMDNDPIBUCZPRC-ZDUSSCGKSA-N 0 0 348.355 3.445 10 5 EGBERN Cc1sc(C(=O)OCc2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000726342613 574549488 /nfs/dbraw/zinc/54/94/88/574549488.db2.gz BJKANXITUFISSL-UHFFFAOYSA-N 0 0 329.337 3.265 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(F)c(F)c1 ZINC000728201861 574729446 /nfs/dbraw/zinc/72/94/46/574729446.db2.gz SUFCTYMORGYCFX-JTQLQIEISA-N 0 0 347.321 3.263 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000592001528 574954244 /nfs/dbraw/zinc/95/42/44/574954244.db2.gz DUFPIABTZGQOMU-MRVWCRGKSA-N 0 0 340.383 3.160 10 5 EGBERN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731460754 575074442 /nfs/dbraw/zinc/07/44/42/575074442.db2.gz ZXHMIOYKRQPKEC-UHFFFAOYSA-N 0 0 345.330 3.124 10 5 EGBERN C[C@@H](OC(=O)/C=C\C(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000732405430 575267639 /nfs/dbraw/zinc/26/76/39/575267639.db2.gz HSCBDKJCERKVHJ-GQYWMQPJSA-N 0 0 338.335 3.206 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccccc2F)no1 ZINC000732829382 575290837 /nfs/dbraw/zinc/29/08/37/575290837.db2.gz NTSILQBURZXQSW-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN CC(C)c1cnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000733406770 575334061 /nfs/dbraw/zinc/33/40/61/575334061.db2.gz PKURMMFYIQPBMO-UHFFFAOYSA-N 0 0 333.344 3.252 10 5 EGBERN C[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000734617348 575528553 /nfs/dbraw/zinc/52/85/53/575528553.db2.gz XPOZJBAVUNAUSK-GFCCVEGCSA-N 0 0 338.323 3.094 10 5 EGBERN CC(C)(C)C1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000734829040 575561885 /nfs/dbraw/zinc/56/18/85/575561885.db2.gz GFZQWXPDZYYBBZ-UHFFFAOYSA-N 0 0 333.388 3.218 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2F)s1 ZINC000735503608 575671410 /nfs/dbraw/zinc/67/14/10/575671410.db2.gz NKGMOZJCQGHRLH-UHFFFAOYSA-N 0 0 337.737 3.217 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000738817203 576362924 /nfs/dbraw/zinc/36/29/24/576362924.db2.gz SBEQIDCAILGRMN-UHFFFAOYSA-N 0 0 348.311 3.406 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2ncc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000742428881 576783543 /nfs/dbraw/zinc/78/35/43/576783543.db2.gz ULNNHHPYRIKMLY-ALCCZGGFSA-N 0 0 344.323 3.285 10 5 EGBERN C[C@H]1CCCC[N@@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000742833822 576796162 /nfs/dbraw/zinc/79/61/62/576796162.db2.gz HGYZEZMRJDYSGJ-LEJCZOIISA-N 0 0 347.415 3.369 10 5 EGBERN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479672 576810074 /nfs/dbraw/zinc/81/00/74/576810074.db2.gz LFSPASNFGYRLLI-WMLDXEAASA-N 0 0 339.395 3.359 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OCc3ccon3)cc2[N+](=O)[O-])C1 ZINC000744618360 576831992 /nfs/dbraw/zinc/83/19/92/576831992.db2.gz VDMGNNJFMIROEQ-LBPRGKRZSA-N 0 0 345.355 3.176 10 5 EGBERN C[C@@H](N(C)C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000030422710 1291349103 /nfs/dbraw/zinc/34/91/03/1291349103.db2.gz YPCVXZGUMURFAN-NNNHXZLVSA-N 0 0 348.399 3.368 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000175676792 1294569420 /nfs/dbraw/zinc/56/94/20/1294569420.db2.gz JVEXYCWRVLDHGP-GHMZBOCLSA-N 0 0 344.820 3.059 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)C1(Cc2ccc(O)cc2)CC1 ZINC000869921085 1295537886 /nfs/dbraw/zinc/53/78/86/1295537886.db2.gz SAKBWPSDNXLLNO-UHFFFAOYSA-N 0 0 333.365 3.428 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000869934255 1295546474 /nfs/dbraw/zinc/54/64/74/1295546474.db2.gz SXWIIGDACCKTPR-MFOWVQHXSA-N 0 0 339.775 3.497 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccn(C(C)(C)C)c1=O ZINC000870159685 1295710742 /nfs/dbraw/zinc/71/07/42/1295710742.db2.gz DKGOTOBVMDMNQM-UHFFFAOYSA-N 0 0 330.340 3.039 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCC2(C1)OCCO2 ZINC000870630439 1295987516 /nfs/dbraw/zinc/98/75/16/1295987516.db2.gz AJCLILJNWMJLQL-KVNDZABWSA-N 0 0 347.367 3.227 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000870650778 1295999896 /nfs/dbraw/zinc/99/98/96/1295999896.db2.gz KYOBKJOTNFUNEJ-LBPRGKRZSA-N 0 0 348.733 3.053 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000870706041 1296031264 /nfs/dbraw/zinc/03/12/64/1296031264.db2.gz KFZWCCWFVUVIIL-OUCADQQQSA-N 0 0 338.429 3.101 10 5 EGBERN CC[C@H](CC(F)(F)F)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828990 1296106641 /nfs/dbraw/zinc/10/66/41/1296106641.db2.gz ZGTQCGMAWIAEAW-FKTRJACZSA-N 0 0 335.282 3.017 10 5 EGBERN Cc1ccsc1[C@H]1C[C@@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830355 1296107763 /nfs/dbraw/zinc/10/77/63/1296107763.db2.gz ZTKYJKIVWDHELC-FFKWVLBGSA-N 0 0 347.396 3.212 10 5 EGBERN C[C@H](C(=O)NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000871215264 1296279534 /nfs/dbraw/zinc/27/95/34/1296279534.db2.gz VUAYRTIREKDOMS-QMMMGPOBSA-N 0 0 338.257 3.228 10 5 EGBERN CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])ccc1N)C(F)(F)F ZINC000871263337 1296303293 /nfs/dbraw/zinc/30/32/93/1296303293.db2.gz PBEGLGRSWTYJDI-UHFFFAOYSA-N 0 0 333.310 3.276 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871283449 1296317914 /nfs/dbraw/zinc/31/79/14/1296317914.db2.gz FPMZCJGQEOHOFG-IAQYHMDHSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000871303424 1296333293 /nfs/dbraw/zinc/33/32/93/1296333293.db2.gz YGRSJRQIJHZJPB-SWLSCSKDSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871309317 1296338573 /nfs/dbraw/zinc/33/85/73/1296338573.db2.gz FFIFZUQLFCULLN-BZZMCLGOSA-N 0 0 344.411 3.020 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000871505855 1296418351 /nfs/dbraw/zinc/41/83/51/1296418351.db2.gz YDMSRVUIIJASCS-UHFFFAOYSA-N 0 0 346.330 3.239 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000871508739 1296419353 /nfs/dbraw/zinc/41/93/53/1296419353.db2.gz YCVSPWAZLKGAGW-UHFFFAOYSA-N 0 0 346.330 3.239 10 5 EGBERN O=C(N1C[C@@H]2CC=CC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000871523836 1296427471 /nfs/dbraw/zinc/42/74/71/1296427471.db2.gz PCRBETCBNPJEPU-GASCZTMLSA-N 0 0 326.396 3.441 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1C(=O)CC(C2CCCC2)CC1=O ZINC000871761022 1296523675 /nfs/dbraw/zinc/52/36/75/1296523675.db2.gz PJARLJIZYDCOBY-UHFFFAOYSA-N 0 0 346.383 3.059 10 5 EGBERN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872022047 1296666647 /nfs/dbraw/zinc/66/66/47/1296666647.db2.gz WBODUYLNHRLZAY-NEPJUHHUSA-N 0 0 347.394 3.464 10 5 EGBERN C[C@@H](NCCC(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031871 1296680226 /nfs/dbraw/zinc/68/02/26/1296680226.db2.gz UWOLGXSXOLCFPK-CYBMUJFWSA-N 0 0 345.374 3.091 10 5 EGBERN CC(C)[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000872045034 1296694754 /nfs/dbraw/zinc/69/47/54/1296694754.db2.gz HTARVIADXUOGNO-WBMJQRKESA-N 0 0 337.395 3.032 10 5 EGBERN CCn1ncc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000872136905 1296760612 /nfs/dbraw/zinc/76/06/12/1296760612.db2.gz IJBQVLGKGYNZKR-UHFFFAOYSA-N 0 0 329.404 3.201 10 5 EGBERN CC(C)(C)[C@@H]1C[C@H](OC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000873574565 1297599255 /nfs/dbraw/zinc/59/92/55/1297599255.db2.gz OQTZYTRRNZNXSC-DOMZBBRYSA-N 0 0 337.372 3.111 10 5 EGBERN CC(C)(C)[C@H]1C[C@H](OC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000873574566 1297599610 /nfs/dbraw/zinc/59/96/10/1297599610.db2.gz OQTZYTRRNZNXSC-IUODEOHRSA-N 0 0 337.372 3.111 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000873579985 1297605061 /nfs/dbraw/zinc/60/50/61/1297605061.db2.gz DKCSGCRECXVIND-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN O=C1OC(c2cc3c(s2)CCC3)=N/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000584906712 1298024207 /nfs/dbraw/zinc/02/42/07/1298024207.db2.gz LRUPJRBQLQRUDJ-YFHOEESVSA-N 0 0 330.321 3.083 10 5 EGBERN CC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCO1 ZINC000585130439 1298035377 /nfs/dbraw/zinc/03/53/77/1298035377.db2.gz PZGRKTIATCGKPE-JSGCOSHPSA-N 0 0 344.371 3.129 10 5 EGBERN CC(C)CC[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878059690 1299730805 /nfs/dbraw/zinc/73/08/05/1299730805.db2.gz UUFGQGVSPDEWIR-LBPRGKRZSA-N 0 0 336.388 3.311 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H]1CCCOC1 ZINC000882463510 1301981568 /nfs/dbraw/zinc/98/15/68/1301981568.db2.gz JZGKZPLCGMWARH-SMDDNHRTSA-N 0 0 340.807 3.492 10 5 EGBERN CC(=O)c1c(N(C)C[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000882484169 1301989166 /nfs/dbraw/zinc/98/91/66/1301989166.db2.gz UZTKCOWJDOXXFH-GOSISDBHSA-N 0 0 328.368 3.141 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC000882906944 1302158262 /nfs/dbraw/zinc/15/82/62/1302158262.db2.gz DWWFYSPUJCMKKI-LPEHRKFASA-N 0 0 330.431 3.050 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@]23OCCC[C@H]2C3(F)F)c2ccccc21 ZINC000884557316 1302909072 /nfs/dbraw/zinc/90/90/72/1302909072.db2.gz MCYIVFDWNGAVSD-HIFRSBDPSA-N 0 0 335.310 3.369 10 5 EGBERN CCc1nn(C)c(N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000884656578 1302940298 /nfs/dbraw/zinc/94/02/98/1302940298.db2.gz MKTNRSHJSZTZLQ-ZANVPECISA-N 0 0 332.326 3.060 10 5 EGBERN COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000886317185 1303433107 /nfs/dbraw/zinc/43/31/07/1303433107.db2.gz BHLQMCLIHWMPCA-WBVHZDCISA-N 0 0 334.375 3.069 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(=O)CC12CCC2 ZINC000891820483 1305177903 /nfs/dbraw/zinc/17/79/03/1305177903.db2.gz RIQMPUHEYLULGJ-UHFFFAOYSA-N 0 0 338.363 3.476 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1C ZINC000893051275 1305681279 /nfs/dbraw/zinc/68/12/79/1305681279.db2.gz ZNIWHFJNLHETBK-KDURUIRLSA-N 0 0 344.411 3.244 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000893529213 1305951925 /nfs/dbraw/zinc/95/19/25/1305951925.db2.gz OCTSRKMSIUPKEY-AWEZNQCLSA-N 0 0 329.356 3.066 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894352461 1306356353 /nfs/dbraw/zinc/35/63/53/1306356353.db2.gz NOZSCDAWAZDBBD-PHIMTYICSA-N 0 0 334.422 3.245 10 5 EGBERN O=[N+]([O-])c1sc(CN2CC[C@H]2C(F)F)cc1Br ZINC000895431968 1309333698 /nfs/dbraw/zinc/33/36/98/1309333698.db2.gz SBLIZXBWRDYOLE-ZETCQYMHSA-N 0 0 327.150 3.258 10 5 EGBERN CC(=O)c1cc(N2CCC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000896588407 1309925456 /nfs/dbraw/zinc/92/54/56/1309925456.db2.gz ATKREIVWGWJPHU-OAHLLOKOSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000898388658 1310703441 /nfs/dbraw/zinc/70/34/41/1310703441.db2.gz PHRSWMXAOVEDPY-CYBMUJFWSA-N 0 0 342.399 3.235 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000898394521 1310708702 /nfs/dbraw/zinc/70/87/02/1310708702.db2.gz HCPKBGIMZZWWON-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC2(CC2(F)F)C1 ZINC000857616793 1328565520 /nfs/dbraw/zinc/56/55/20/1328565520.db2.gz WBGIXGLTYLGZAM-UHFFFAOYSA-N 0 0 326.299 3.367 10 5 EGBERN CCCc1nccnc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000857660582 1328577062 /nfs/dbraw/zinc/57/70/62/1328577062.db2.gz PJOFOQFDZQMEGH-UHFFFAOYSA-N 0 0 336.298 3.068 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCc3nc(F)ccc32)cc1[N+](=O)[O-] ZINC000857894255 1328617326 /nfs/dbraw/zinc/61/73/26/1328617326.db2.gz WJOKTELGXIWYOV-UHFFFAOYSA-N 0 0 329.331 3.455 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cncc21 ZINC000857981141 1328646828 /nfs/dbraw/zinc/64/68/28/1328646828.db2.gz AICBXYKILCCLCI-CYBMUJFWSA-N 0 0 346.412 3.167 10 5 EGBERN CC[C@](O)(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059865 1328775609 /nfs/dbraw/zinc/77/56/09/1328775609.db2.gz DHMQEIRMIPYHJD-AWEZNQCLSA-N 0 0 332.322 3.263 10 5 EGBERN CC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000913385720 1319021212 /nfs/dbraw/zinc/02/12/12/1319021212.db2.gz CCQPVVGZOKWQLY-UHFFFAOYSA-N 0 0 336.697 3.439 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000913595808 1319068265 /nfs/dbraw/zinc/06/82/65/1319068265.db2.gz BIGQWPOQNPBYRM-NSHDSACASA-N 0 0 342.399 3.375 10 5 EGBERN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)Cc2c[nH]nc21 ZINC000913596814 1319068388 /nfs/dbraw/zinc/06/83/88/1319068388.db2.gz WXEYOBFFWPDHOK-VIFPVBQESA-N 0 0 342.380 3.292 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913750346 1319114478 /nfs/dbraw/zinc/11/44/78/1319114478.db2.gz OYYCASYUXGMQJM-UHFFFAOYSA-N 0 0 330.768 3.013 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@]12CCC[C@H]1OCC2 ZINC000913776744 1319123606 /nfs/dbraw/zinc/12/36/06/1319123606.db2.gz YLENISRIGCLVQH-ZBFHGGJFSA-N 0 0 338.791 3.009 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913799154 1319129487 /nfs/dbraw/zinc/12/94/87/1319129487.db2.gz YEDAXZDAZQNNLS-GMOODISLSA-N 0 0 342.754 3.075 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000914325493 1319295910 /nfs/dbraw/zinc/29/59/10/1319295910.db2.gz LPXUGBJTWKEKKY-AWEZNQCLSA-N 0 0 349.431 3.030 10 5 EGBERN COC(=O)/C=C\c1ccc(S[C@@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000858677380 1328827254 /nfs/dbraw/zinc/82/72/54/1328827254.db2.gz WLUPPFPINYDFDF-HWPRWLFBSA-N 0 0 337.397 3.441 10 5 EGBERN CSC1CCC(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000915089578 1319420109 /nfs/dbraw/zinc/42/01/09/1319420109.db2.gz DUXNVYYWCXXOKD-UHFFFAOYSA-N 0 0 337.445 3.316 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@H]1CCC2(CCC2)CO1 ZINC000916773058 1319706987 /nfs/dbraw/zinc/70/69/87/1319706987.db2.gz OHUIQVMVYHVNLL-SNVBAGLBSA-N 0 0 344.209 3.212 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)c(F)c1F ZINC000917796388 1319872815 /nfs/dbraw/zinc/87/28/15/1319872815.db2.gz SVJFCXARVCSPJK-IMTBSYHQSA-N 0 0 327.205 3.362 10 5 EGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC(C)(C)O1 ZINC000858791969 1328862743 /nfs/dbraw/zinc/86/27/43/1328862743.db2.gz OTJPAMOTNBOBBG-LBPRGKRZSA-N 0 0 328.368 3.388 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000858864016 1328878768 /nfs/dbraw/zinc/87/87/68/1328878768.db2.gz SBVRTDAUHNPNKZ-OOPCZODUSA-N 0 0 349.387 3.486 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000858864017 1328879031 /nfs/dbraw/zinc/87/90/31/1328879031.db2.gz SBVRTDAUHNPNKZ-SCOBNMCVSA-N 0 0 349.387 3.486 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCS[C@H](C)C1 ZINC000930885714 1328995789 /nfs/dbraw/zinc/99/57/89/1328995789.db2.gz YFHVTUXNIIILLL-NXEZZACHSA-N 0 0 325.390 3.009 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000919065859 1322025001 /nfs/dbraw/zinc/02/50/01/1322025001.db2.gz YCHFQVIRRBDFLS-UHFFFAOYSA-N 0 0 344.323 3.439 10 5 EGBERN O=C1CCC(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)CC1 ZINC000920411507 1322174384 /nfs/dbraw/zinc/17/43/84/1322174384.db2.gz IFCDCVPQMGWZSQ-UHFFFAOYSA-N 0 0 334.763 3.266 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3C[C@H]4CCC[C@@H]4O3)n2)c1 ZINC000920417418 1322175261 /nfs/dbraw/zinc/17/52/61/1322175261.db2.gz OFGKTLUSMGDULN-SWHYSGLUSA-N 0 0 348.790 3.464 10 5 EGBERN CC[C@H]1CCCC[C@H]1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000921000376 1322242355 /nfs/dbraw/zinc/24/23/55/1322242355.db2.gz UXCBGJMQRMYSLP-SWLSCSKDSA-N 0 0 337.372 3.494 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000921267518 1322282462 /nfs/dbraw/zinc/28/24/62/1322282462.db2.gz SNJBEFHKAKDSDU-UHFFFAOYSA-N 0 0 336.294 3.305 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000921368953 1322303088 /nfs/dbraw/zinc/30/30/88/1322303088.db2.gz FKWYVIAAPVOEOH-SGMGOOAPSA-N 0 0 346.383 3.065 10 5 EGBERN C[C@H]1Cn2nccc2N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000922210428 1322478692 /nfs/dbraw/zinc/47/86/92/1322478692.db2.gz SFLPJIQGNFXYBS-LLVKDONJSA-N 0 0 348.790 3.060 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(C(F)(F)F)n(C)n1 ZINC000922403373 1322520521 /nfs/dbraw/zinc/52/05/21/1322520521.db2.gz MQWHTGAPFQSRAV-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922493712 1322541812 /nfs/dbraw/zinc/54/18/12/1322541812.db2.gz SEXFGMHFOCAIBB-SKDRFNHKSA-N 0 0 333.262 3.170 10 5 EGBERN CC(=O)NCCCCCOC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000922610355 1322570471 /nfs/dbraw/zinc/57/04/71/1322570471.db2.gz AICIOCPPKMQNGB-UHFFFAOYSA-N 0 0 342.779 3.020 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922716227 1322601354 /nfs/dbraw/zinc/60/13/54/1322601354.db2.gz PQOXIPOTNGTJTH-JKIFEVAISA-N 0 0 349.431 3.406 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCCC(C)(F)F ZINC000922782589 1322616344 /nfs/dbraw/zinc/61/63/44/1322616344.db2.gz VEFKAZLTMGFMJI-UHFFFAOYSA-N 0 0 348.277 3.285 10 5 EGBERN CCn1nc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1C1CC1 ZINC000923511325 1322766654 /nfs/dbraw/zinc/76/66/54/1322766654.db2.gz LHLPMYDSQFSDSB-UHFFFAOYSA-N 0 0 333.319 3.185 10 5 EGBERN CCn1nc(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000923511371 1322766923 /nfs/dbraw/zinc/76/69/23/1322766923.db2.gz OLERCPCQTQUWGP-UHFFFAOYSA-N 0 0 345.355 3.054 10 5 EGBERN C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)C1CC1 ZINC000923599241 1322779339 /nfs/dbraw/zinc/77/93/39/1322779339.db2.gz RXAZQSOWKVGGNI-VIFPVBQESA-N 0 0 325.748 3.092 10 5 EGBERN Cc1c(COC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000923721944 1322796805 /nfs/dbraw/zinc/79/68/05/1322796805.db2.gz MRKLZEIGBZFQQF-YPMHNXCESA-N 0 0 347.289 3.446 10 5 EGBERN CC(C)c1occc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859677459 1329051992 /nfs/dbraw/zinc/05/19/92/1329051992.db2.gz SMBVHMIAZSIMHL-UHFFFAOYSA-N 0 0 335.287 3.490 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000923913949 1322845952 /nfs/dbraw/zinc/84/59/52/1322845952.db2.gz WQUVLNDHTJYMEN-CQSZACIVSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1cc(Cc2noc([C@@]34CCO[C@@H]3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000923945383 1322852866 /nfs/dbraw/zinc/85/28/66/1322852866.db2.gz GGEREPJOZODVQG-QAPCUYQASA-N 0 0 343.383 3.478 10 5 EGBERN Cc1cnc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000923966234 1322858522 /nfs/dbraw/zinc/85/85/22/1322858522.db2.gz FIGBTJAJCZHZNH-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CC(=O)CCCCOC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923968313 1322859468 /nfs/dbraw/zinc/85/94/68/1322859468.db2.gz ZIDYKGCVZRMVHO-UHFFFAOYSA-N 0 0 327.764 3.483 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OC[C@@H]1C[C@H]1C ZINC000859712078 1329060641 /nfs/dbraw/zinc/06/06/41/1329060641.db2.gz ZRYHLVBOGOKQTH-APPZFPTMSA-N 0 0 326.736 3.019 10 5 EGBERN O=C(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc([N+](=O)[O-])cc1F ZINC000924376877 1323001055 /nfs/dbraw/zinc/00/10/55/1323001055.db2.gz KZQIGDHIUHFZBE-CNDDSTCGSA-N 0 0 335.331 3.286 10 5 EGBERN Cc1ccc(NC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000924494341 1323037619 /nfs/dbraw/zinc/03/76/19/1323037619.db2.gz MQCYDKHKJDVATM-ZYHUDNBSSA-N 0 0 347.293 3.135 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000931342762 1329098677 /nfs/dbraw/zinc/09/86/77/1329098677.db2.gz JVNZUPWIVDFBJG-ATPLWMGHSA-N 0 0 345.182 3.387 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)O1 ZINC000860070287 1329140303 /nfs/dbraw/zinc/14/03/03/1329140303.db2.gz BXUPLZKQPZPWDO-NSHDSACASA-N 0 0 325.336 3.371 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC000860165981 1329164103 /nfs/dbraw/zinc/16/41/03/1329164103.db2.gz VNILHJCKCYFWSA-QWHCGFSZSA-N 0 0 333.365 3.382 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252140 1325098817 /nfs/dbraw/zinc/09/88/17/1325098817.db2.gz YKBWFFKEOKBXHR-ISTRZQFTSA-N 0 0 347.415 3.160 10 5 EGBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000926031159 1325394283 /nfs/dbraw/zinc/39/42/83/1325394283.db2.gz ODNPDSBYAWULLE-JOCHJYFZSA-N 0 0 328.365 3.305 10 5 EGBERN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000926316762 1325514948 /nfs/dbraw/zinc/51/49/48/1325514948.db2.gz NJTIYEYRUOSEIX-NEPJUHHUSA-N 0 0 347.293 3.216 10 5 EGBERN C[C@@H](OC(=O)c1ccn(C2CCOCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000860395639 1329312723 /nfs/dbraw/zinc/31/27/23/1329312723.db2.gz JDTVPQYYPGUJRO-GFCCVEGCSA-N 0 0 345.355 3.061 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069762 1329385138 /nfs/dbraw/zinc/38/51/38/1329385138.db2.gz WHLCTZFBXWLYLE-VXFNFUGZSA-N 0 0 327.768 3.182 10 5 EGBERN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000927399219 1328006602 /nfs/dbraw/zinc/00/66/02/1328006602.db2.gz GCIHEENBJRVVCU-VGPLMAKISA-N 0 0 345.424 3.480 10 5 EGBERN Cc1sc(C(=O)NCc2nccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000927618387 1328082652 /nfs/dbraw/zinc/08/26/52/1328082652.db2.gz HXAAQGPHXMXAOK-UHFFFAOYSA-N 0 0 331.397 3.169 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928144434 1328216066 /nfs/dbraw/zinc/21/60/66/1328216066.db2.gz XHKFQOZPUCCCJD-UXONFWTHSA-N 0 0 346.330 3.114 10 5 EGBERN CC(C)(C(=O)NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])cc1 ZINC000928150818 1328218249 /nfs/dbraw/zinc/21/82/49/1328218249.db2.gz FVXZZOPXTZFGAQ-UHFFFAOYSA-N 0 0 339.298 3.114 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928277151 1328272792 /nfs/dbraw/zinc/27/27/92/1328272792.db2.gz CRRWGUQRZGWQLT-AWEZNQCLSA-N 0 0 345.424 3.075 10 5 EGBERN O=C(Oc1cccc2sc(Br)cc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861443216 1329418436 /nfs/dbraw/zinc/41/84/36/1329418436.db2.gz ZZTHLBPJKQOREP-HTRCEHHLSA-N 0 0 342.170 3.234 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862016242 1329455119 /nfs/dbraw/zinc/45/51/19/1329455119.db2.gz FUXRDWZWQRSTHC-DZGCQCFKSA-N 0 0 328.368 3.435 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862099911 1329458779 /nfs/dbraw/zinc/45/87/79/1329458779.db2.gz XBNPVYMPFTVLLL-SFHVURJKSA-N 0 0 330.384 3.419 10 5 EGBERN CC[C@@H](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101288 1329459125 /nfs/dbraw/zinc/45/91/25/1329459125.db2.gz PLPQUBLGIZDHPB-OCCSQVGLSA-N 0 0 330.384 3.275 10 5 EGBERN CC1(c2nsc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)CC1 ZINC000862610726 1329499033 /nfs/dbraw/zinc/49/90/33/1329499033.db2.gz WKONWEMWLIGZCT-UHFFFAOYSA-N 0 0 338.776 3.404 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000862999948 1329521904 /nfs/dbraw/zinc/52/19/04/1329521904.db2.gz QLKHBFSMAGMERD-YCWTYVPXSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1Cl ZINC000863000227 1329521932 /nfs/dbraw/zinc/52/19/32/1329521932.db2.gz SNHXTJMTMBBIRL-QSDJMHMYSA-N 0 0 326.780 3.098 10 5 EGBERN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863283847 1329543963 /nfs/dbraw/zinc/54/39/63/1329543963.db2.gz VZRLDHUWZKDSTH-JOYOIKCWSA-N 0 0 345.182 3.199 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000863815634 1329583438 /nfs/dbraw/zinc/58/34/38/1329583438.db2.gz YZPMQFFERCFKIY-DLGQBQFBSA-N 0 0 333.344 3.321 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000864822578 1329644856 /nfs/dbraw/zinc/64/48/56/1329644856.db2.gz LBCWCRNTMYPJGK-INIZCTEOSA-N 0 0 332.400 3.293 10 5 EGBERN C[C@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000864930035 1329652767 /nfs/dbraw/zinc/65/27/67/1329652767.db2.gz AAKOMIDSGIPQSM-BLLLJJGKSA-N 0 0 326.352 3.166 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(F)cc1OCc1nc(CC2CC2)no1 ZINC000865366913 1329689103 /nfs/dbraw/zinc/68/91/03/1329689103.db2.gz VHWSKNUYTUJPQB-UHFFFAOYSA-N 0 0 327.699 3.302 10 5 EGBERN CCC[C@H](O)CCCSCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000865381771 1329690400 /nfs/dbraw/zinc/69/04/00/1329690400.db2.gz NYQMAAGKGGSLCS-LBPRGKRZSA-N 0 0 344.408 3.347 10 5 EGBERN COc1cccc(C[C@H](C)Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000865537083 1329710587 /nfs/dbraw/zinc/71/05/87/1329710587.db2.gz YANCWSJTJQIHDI-NSHDSACASA-N 0 0 334.347 3.278 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N[C@H]2C[C@H](Oc3ccccc3)C2)cc1F ZINC000865941932 1329753251 /nfs/dbraw/zinc/75/32/51/1329753251.db2.gz LCULFEFZBBOBEX-MQMHXKEQSA-N 0 0 332.331 3.248 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000865985727 1329756845 /nfs/dbraw/zinc/75/68/45/1329756845.db2.gz JLLGTULNYVUDHV-LLVKDONJSA-N 0 0 335.429 3.042 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@H]2c3ccccc3OC[C@H]2CO)ccc1Cl ZINC000934213277 1329956221 /nfs/dbraw/zinc/95/62/21/1329956221.db2.gz AETSSTTYZCAVKA-SJKOYZFVSA-N 0 0 348.786 3.080 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000866051985 1330059761 /nfs/dbraw/zinc/05/97/61/1330059761.db2.gz JMRLRZCWCRILTQ-DOTOQJQBSA-N 0 0 327.384 3.309 10 5 EGBERN Cc1ccc(N2CCc3nnn(C4CC(C)C4)c3C2)c([N+](=O)[O-])c1 ZINC000866070056 1330061946 /nfs/dbraw/zinc/06/19/46/1330061946.db2.gz SGXHBAUJZLYZIL-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CCC3)[C@H]3CCOC3)c21 ZINC000866141692 1330069991 /nfs/dbraw/zinc/06/99/91/1330069991.db2.gz MHSMRGBIBHBRNQ-LRDDRELGSA-N 0 0 328.372 3.155 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CC2(CO1)CCOCC2 ZINC000866175638 1330073680 /nfs/dbraw/zinc/07/36/80/1330073680.db2.gz XMZWCVNAFPLCNR-CYBMUJFWSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[C@H]3C3CCOCC3)c21 ZINC000866180101 1330074344 /nfs/dbraw/zinc/07/43/44/1330074344.db2.gz LHKREAZRMBDHHZ-STQMWFEESA-N 0 0 328.372 3.013 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000866234392 1330081955 /nfs/dbraw/zinc/08/19/55/1330081955.db2.gz SBOSRMHNDBAXKG-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN Cc1cncc([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000868075818 1330246617 /nfs/dbraw/zinc/24/66/17/1330246617.db2.gz RCIXLEJWWNNISS-QGZVFWFLSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc(CNC(=O)NCC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000868661334 1330309302 /nfs/dbraw/zinc/30/93/02/1330309302.db2.gz KNRQDWJAENVFNQ-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868673631 1330312186 /nfs/dbraw/zinc/31/21/86/1330312186.db2.gz WJBKXVFTHWUCCD-WBVHZDCISA-N 0 0 349.431 3.154 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000869054166 1330403756 /nfs/dbraw/zinc/40/37/56/1330403756.db2.gz HZAARRGIKHRCHW-PWSUYJOCSA-N 0 0 345.321 3.386 10 5 EGBERN CCc1nc(CN(C)C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000869053885 1330404205 /nfs/dbraw/zinc/40/42/05/1330404205.db2.gz XEATXCIYXJHIEH-UHFFFAOYSA-N 0 0 348.428 3.264 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869230863 1330443264 /nfs/dbraw/zinc/44/32/64/1330443264.db2.gz ASQURSIYBJBYOB-GFCCVEGCSA-N 0 0 348.349 3.471 10 5 EGBERN CC1CC(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869357268 1330471378 /nfs/dbraw/zinc/47/13/78/1330471378.db2.gz BSKGJGKAINXLBV-UHFFFAOYSA-N 0 0 341.205 3.062 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@H]2CCSC2)c1F ZINC000869596899 1330530455 /nfs/dbraw/zinc/53/04/55/1330530455.db2.gz XLFWBXUNXSNPDL-VIFPVBQESA-N 0 0 330.356 3.054 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC001135209852 1376977011 /nfs/dbraw/zinc/97/70/11/1376977011.db2.gz UDACYFMYVBVWFR-LLVKDONJSA-N 0 0 336.285 3.469 10 5 EGBERN Cc1cc(C2(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])CC2)on1 ZINC001183836436 1387356748 /nfs/dbraw/zinc/35/67/48/1387356748.db2.gz NBUWKZXOAHQCCM-UHFFFAOYSA-N 0 0 338.323 3.110 10 5 EGBERN CN(C[C@@H]1CCCCO1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001184992222 1387583555 /nfs/dbraw/zinc/58/35/55/1387583555.db2.gz VXGOALZWDMYLRW-LBPRGKRZSA-N 0 0 346.343 3.057 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(-n3cnc4ccccc43)nc2)cn1 ZINC001324678011 1387733125 /nfs/dbraw/zinc/73/31/25/1387733125.db2.gz ZRBPENLTUYNGGK-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN CCSCC[C@@H](C)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001185603258 1387759169 /nfs/dbraw/zinc/75/91/69/1387759169.db2.gz RZLDTBXKRPSVDI-MRVPVSSYSA-N 0 0 340.371 3.315 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001324958499 1387851382 /nfs/dbraw/zinc/85/13/82/1387851382.db2.gz PLDBVPZTRZIDAR-LLVKDONJSA-N 0 0 349.774 3.088 10 5 EGBERN COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190273318 1367214661 /nfs/dbraw/zinc/21/46/61/1367214661.db2.gz HEWOJGQETRPWFZ-GOEBONIOSA-N 0 0 343.383 3.438 10 5 EGBERN Cn1cc(CCNc2ccncc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC001186121789 1387873983 /nfs/dbraw/zinc/87/39/83/1387873983.db2.gz UGYUSUMSDFWJGM-UHFFFAOYSA-N 0 0 330.775 3.211 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCN(c2cccc(F)c2)CC1 ZINC001197041114 1368735146 /nfs/dbraw/zinc/73/51/46/1368735146.db2.gz IIMFLSFDOCLWJB-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN O=C1NCCN(c2ccc(F)cc2[N+](=O)[O-])[C@H]1CC1CCCCC1 ZINC001186738888 1388002264 /nfs/dbraw/zinc/00/22/64/1388002264.db2.gz HNXSOVCGEIIMDR-INIZCTEOSA-N 0 0 335.379 3.009 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1-c1nnc([C@H]2CCCO2)o1 ZINC001325817212 1388049166 /nfs/dbraw/zinc/04/91/66/1388049166.db2.gz JGLITTSLUNDFSP-SNVBAGLBSA-N 0 0 340.133 3.259 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@H](F)C1 ZINC001118157902 1371139750 /nfs/dbraw/zinc/13/97/50/1371139750.db2.gz BDWRUJJFAVYWSW-NEPJUHHUSA-N 0 0 349.318 3.216 10 5 EGBERN COc1cc(N2CC[C@@H]3OCCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001118529965 1371193424 /nfs/dbraw/zinc/19/34/24/1371193424.db2.gz WYBDWQXHEMLTLQ-HZMBPMFUSA-N 0 0 326.780 3.262 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2csc(C(F)(F)F)c2)n1 ZINC001118858285 1371241998 /nfs/dbraw/zinc/24/19/98/1371241998.db2.gz YLCUOLPXVYYAST-UHFFFAOYSA-N 0 0 349.290 3.249 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001119659357 1371383923 /nfs/dbraw/zinc/38/39/23/1371383923.db2.gz ZNBOJSTXXJFKOQ-UHFFFAOYSA-N 0 0 334.681 3.305 10 5 EGBERN Cc1ccc(N2CCN(c3cc(Cl)ccn3)CC2)c([N+](=O)[O-])c1 ZINC001187662476 1388138929 /nfs/dbraw/zinc/13/89/29/1388138929.db2.gz CRUCVFLVXLFNGO-UHFFFAOYSA-N 0 0 332.791 3.278 10 5 EGBERN Cc1nn(CCC(=O)OCC[C@@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC001123115401 1372383993 /nfs/dbraw/zinc/38/39/93/1372383993.db2.gz SXDVMOBDSMKPGM-LBPRGKRZSA-N 0 0 345.346 3.167 10 5 EGBERN CO[C@]12CCC[C@]1(COC(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC001123228732 1372402392 /nfs/dbraw/zinc/40/23/92/1372402392.db2.gz CROOJCJEKZEJKK-MSOLQXFVSA-N 0 0 349.383 3.004 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001123255066 1372408609 /nfs/dbraw/zinc/40/86/09/1372408609.db2.gz GXHUXZPXSLBXGI-CYBMUJFWSA-N 0 0 334.303 3.225 10 5 EGBERN Cc1conc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001124151835 1372680280 /nfs/dbraw/zinc/68/02/80/1372680280.db2.gz ZJCGQEMBLZPOCA-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN COc1ccc(NC(=O)c2cccc3c2O[C@H](C)C3)c([N+](=O)[O-])c1 ZINC001124403448 1372699082 /nfs/dbraw/zinc/69/90/82/1372699082.db2.gz KDUFLZRKHXLIEQ-SNVBAGLBSA-N 0 0 328.324 3.179 10 5 EGBERN Cc1cccc(CO[C@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001124642606 1372719334 /nfs/dbraw/zinc/71/93/34/1372719334.db2.gz NQKUASYDWRYNPH-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN CSc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)ccn1 ZINC001124680555 1372721865 /nfs/dbraw/zinc/72/18/65/1372721865.db2.gz BBYWBMCDEOVUAW-UHFFFAOYSA-N 0 0 325.296 3.242 10 5 EGBERN Cc1cc(F)c(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC001124715280 1372724586 /nfs/dbraw/zinc/72/45/86/1372724586.db2.gz CIWHYRQBQWUCAM-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC001124903184 1372739224 /nfs/dbraw/zinc/73/92/24/1372739224.db2.gz DBBCPRCWRIGULG-UHFFFAOYSA-N 0 0 347.321 3.381 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125229533 1372762374 /nfs/dbraw/zinc/76/23/74/1372762374.db2.gz GDFSUSCFSNXPFI-CQSZACIVSA-N 0 0 343.408 3.281 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc([N+](=O)[O-])cc1F)CO2 ZINC001125336378 1372771518 /nfs/dbraw/zinc/77/15/18/1372771518.db2.gz IADYCEGYGBHDDW-UHFFFAOYSA-N 0 0 328.299 3.457 10 5 EGBERN O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1F ZINC001125336914 1372771814 /nfs/dbraw/zinc/77/18/14/1372771814.db2.gz IWAVHTFEBNSFJG-NSHDSACASA-N 0 0 346.240 3.063 10 5 EGBERN CS(C)(=O)=Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125488933 1372795147 /nfs/dbraw/zinc/79/51/47/1372795147.db2.gz GYCGOILCZNEADT-UHFFFAOYSA-N 0 0 348.380 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2N(C)C)cc1Cl ZINC001125526399 1372801149 /nfs/dbraw/zinc/80/11/49/1372801149.db2.gz OPCGTBHLQDBROV-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN CCn1ncc2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc21 ZINC001125545584 1372804260 /nfs/dbraw/zinc/80/42/60/1372804260.db2.gz KPHLSMNTZXFASX-UHFFFAOYSA-N 0 0 328.303 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-n3cccc3)ccc2F)n1 ZINC001125684741 1372836079 /nfs/dbraw/zinc/83/60/79/1372836079.db2.gz NHKBGPDJZPOWOC-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)nn1 ZINC001125790880 1372857498 /nfs/dbraw/zinc/85/74/98/1372857498.db2.gz RVEFDGIPDOIHQK-UHFFFAOYSA-N 0 0 341.154 3.263 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc([S@](C)=O)c1 ZINC001126318911 1372956405 /nfs/dbraw/zinc/95/64/05/1372956405.db2.gz SPUDSVOTTRGTQR-QHCPKHFHSA-N 0 0 336.344 3.032 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC001126325445 1372957282 /nfs/dbraw/zinc/95/72/82/1372957282.db2.gz RNAWGAGCTLQJML-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COC(=O)c1cc(NC(=O)/C(C)=C\c2ccco2)cc([N+](=O)[O-])c1 ZINC001126372864 1372961138 /nfs/dbraw/zinc/96/11/38/1372961138.db2.gz MUCYEFSVBFTSGD-POHAHGRESA-N 0 0 330.296 3.016 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1(C)C ZINC001126450146 1372966263 /nfs/dbraw/zinc/96/62/63/1372966263.db2.gz BSQYTSHQHJGSFV-HUUCEWRRSA-N 0 0 334.416 3.487 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ncnc3ccsc32)cc1[N+](=O)[O-] ZINC001126615292 1372984355 /nfs/dbraw/zinc/98/43/55/1372984355.db2.gz SEEDXOIGCUPZOH-JTQLQIEISA-N 0 0 342.380 3.399 10 5 EGBERN COc1cc(C(=O)N(C)[C@@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC001126797354 1373027265 /nfs/dbraw/zinc/02/72/65/1373027265.db2.gz QIVLKLPKVHEHNT-NSHDSACASA-N 0 0 334.397 3.368 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CCCO1 ZINC001127358749 1373118943 /nfs/dbraw/zinc/11/89/43/1373118943.db2.gz GJWFIYALFMDJDC-KRWDZBQOSA-N 0 0 331.299 3.345 10 5 EGBERN CCC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(F)c1 ZINC001127405819 1373124159 /nfs/dbraw/zinc/12/41/59/1373124159.db2.gz RAFPBFXCRYBXHC-UHFFFAOYSA-N 0 0 332.287 3.249 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccc1OC(C)C ZINC001127799583 1373182977 /nfs/dbraw/zinc/18/29/77/1373182977.db2.gz FIXCQYQYPLSWPE-UHFFFAOYSA-N 0 0 345.355 3.346 10 5 EGBERN C[C@@H]1CC[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC001127864682 1373191531 /nfs/dbraw/zinc/19/15/31/1373191531.db2.gz DRNWNRCVXOMOBQ-VXGBXAGGSA-N 0 0 329.356 3.429 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1OCCc2ccccc21 ZINC001127962461 1373204438 /nfs/dbraw/zinc/20/44/38/1373204438.db2.gz GKTYPQBHDUKEOS-GOSISDBHSA-N 0 0 349.346 3.396 10 5 EGBERN CN(C#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001128270618 1373244397 /nfs/dbraw/zinc/24/43/97/1373244397.db2.gz VQFBCTQQFCUAAU-UHFFFAOYSA-N 0 0 344.758 3.413 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c(c1)CCOC2 ZINC001128409619 1373263677 /nfs/dbraw/zinc/26/36/77/1373263677.db2.gz ITEUUGQBHCFQNU-UHFFFAOYSA-N 0 0 330.315 3.367 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)OCc2csc(C(C)(C)C)n2)n1 ZINC001128594893 1373295936 /nfs/dbraw/zinc/29/59/36/1373295936.db2.gz CQPKEHQAWNYJCM-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN O=C(NC[C@@H]1CCSC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001128714875 1373305070 /nfs/dbraw/zinc/30/50/70/1373305070.db2.gz JEOJZFMGOAHCRL-LBPRGKRZSA-N 0 0 343.408 3.140 10 5 EGBERN CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC001128971032 1373329200 /nfs/dbraw/zinc/32/92/00/1373329200.db2.gz OJAZZIUVIRWJBW-INIZCTEOSA-N 0 0 342.399 3.479 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OC ZINC001129069544 1373341905 /nfs/dbraw/zinc/34/19/05/1373341905.db2.gz VMHAJERKDBQUBV-NOZJJQNGSA-N 0 0 348.321 3.405 10 5 EGBERN CSc1ccc(C(=O)Nc2c(F)ccnc2F)cc1[N+](=O)[O-] ZINC001129483357 1373388871 /nfs/dbraw/zinc/38/88/71/1373388871.db2.gz DJWSXUUSGLRQIF-UHFFFAOYSA-N 0 0 325.296 3.242 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001129600911 1373401660 /nfs/dbraw/zinc/40/16/60/1373401660.db2.gz PQPLFKXAWTZVGK-UHFFFAOYSA-N 0 0 330.300 3.021 10 5 EGBERN CCC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CCCC1 ZINC001129637421 1373405537 /nfs/dbraw/zinc/40/55/37/1373405537.db2.gz DJWVJYUBUDEUAX-INIZCTEOSA-N 0 0 348.399 3.470 10 5 EGBERN COc1nccc2c(NC(=O)Cc3ccccc3[N+](=O)[O-])cccc21 ZINC001129655793 1373408888 /nfs/dbraw/zinc/40/88/88/1373408888.db2.gz NMONWCFBKSRBNW-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN COc1c(C)cccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001130492944 1373551836 /nfs/dbraw/zinc/55/18/36/1373551836.db2.gz XFGQLRLACJSJDQ-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN CCc1ccc(C(=O)Oc2cccc(OC(=O)NC)c2)cc1[N+](=O)[O-] ZINC001130731094 1373585419 /nfs/dbraw/zinc/58/54/19/1373585419.db2.gz DAJRIYKFMWUTMO-UHFFFAOYSA-N 0 0 344.323 3.095 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccnc(F)c1F ZINC001131428381 1373696342 /nfs/dbraw/zinc/69/63/42/1373696342.db2.gz ADGHHNFLYODION-UHFFFAOYSA-N 0 0 345.664 3.242 10 5 EGBERN Cc1cn2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2n1 ZINC001131595833 1373728041 /nfs/dbraw/zinc/72/80/41/1373728041.db2.gz JFMGWIQXBXUNRG-UHFFFAOYSA-N 0 0 349.350 3.144 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC001131766764 1373793021 /nfs/dbraw/zinc/79/30/21/1373793021.db2.gz YQXDANYOQQMXJJ-GXTWGEPZSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1n[nH]nc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001131792064 1373809122 /nfs/dbraw/zinc/80/91/22/1373809122.db2.gz DUFPKIZDVPRWNY-UHFFFAOYSA-N 0 0 347.400 3.308 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCCC[C@@H]2F)cc2ccccc2c1[N+](=O)[O-] ZINC001131868481 1373850895 /nfs/dbraw/zinc/85/08/95/1373850895.db2.gz DXQXRXJMNUNOTK-UONOGXRCSA-N 0 0 331.347 3.341 10 5 EGBERN Cc1nc2cc(CS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1 ZINC001188324738 1388290487 /nfs/dbraw/zinc/29/04/87/1388290487.db2.gz PWEVEVFLJLKDJA-UHFFFAOYSA-N 0 0 345.380 3.062 10 5 EGBERN C[C@H](c1ccccc1)n1cnnc1SCc1cccnc1[N+](=O)[O-] ZINC001188650338 1388352925 /nfs/dbraw/zinc/35/29/25/1388352925.db2.gz MVKRIMXLRDRZNU-GFCCVEGCSA-N 0 0 341.396 3.483 10 5 EGBERN O=[N+]([O-])c1ccc2oc(COc3nccc(C(F)(F)F)n3)nc2c1 ZINC001188660414 1388356230 /nfs/dbraw/zinc/35/62/30/1388356230.db2.gz OIRTWVUJQRJCNM-UHFFFAOYSA-N 0 0 340.217 3.124 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2F)cc1OC ZINC001132099228 1375147011 /nfs/dbraw/zinc/14/70/11/1375147011.db2.gz PWRUQNMRDVABGW-NWDGAFQWSA-N 0 0 340.351 3.013 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)n1 ZINC001132480908 1375416983 /nfs/dbraw/zinc/41/69/83/1375416983.db2.gz ZSMSUZRJVNILAF-SFHVURJKSA-N 0 0 343.358 3.399 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC001132959148 1375674083 /nfs/dbraw/zinc/67/40/83/1375674083.db2.gz BCIIPGYABZLBRU-NSCUHMNNSA-N 0 0 331.303 3.180 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001132996093 1375701747 /nfs/dbraw/zinc/70/17/47/1375701747.db2.gz YQUVIZRWVOQEIM-ZDUSSCGKSA-N 0 0 330.388 3.337 10 5 EGBERN O=C(NCCC[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001133081394 1375763468 /nfs/dbraw/zinc/76/34/68/1375763468.db2.gz AADCMGCHELTYSH-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN Cc1cc(C(=O)NCc2noc3c2CC(C)(C)CC3)cc([N+](=O)[O-])c1 ZINC001133292659 1375902198 /nfs/dbraw/zinc/90/21/98/1375902198.db2.gz HOKQMSZTGMAUGO-UHFFFAOYSA-N 0 0 343.383 3.336 10 5 EGBERN Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1-c1ccsc1 ZINC001133366114 1375948190 /nfs/dbraw/zinc/94/81/90/1375948190.db2.gz QTCGOQNEJROTCF-UHFFFAOYSA-N 0 0 342.380 3.467 10 5 EGBERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC001133420773 1375998613 /nfs/dbraw/zinc/99/86/13/1375998613.db2.gz OMKQOPYLTOGZIE-ACJLOTCBSA-N 0 0 340.379 3.393 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133654112 1376140815 /nfs/dbraw/zinc/14/08/15/1376140815.db2.gz BQSGHEPEEPJLOE-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN COc1ccc(CC(=O)NCc2cscc2Cl)cc1[N+](=O)[O-] ZINC001133826132 1376220983 /nfs/dbraw/zinc/22/09/83/1376220983.db2.gz QWIBRUPPVOGYFV-UHFFFAOYSA-N 0 0 340.788 3.177 10 5 EGBERN O=C(OCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1 ZINC001189003186 1388433019 /nfs/dbraw/zinc/43/30/19/1388433019.db2.gz BVCCOLZDMCPLBC-UHFFFAOYSA-N 0 0 334.250 3.182 10 5 EGBERN Cc1cc(OCC(=O)Nc2cnc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC001134337317 1376483664 /nfs/dbraw/zinc/48/36/64/1376483664.db2.gz VPKGEUJEJPAOJG-UHFFFAOYSA-N 0 0 339.710 3.108 10 5 EGBERN COCC1(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC001134501877 1376570679 /nfs/dbraw/zinc/57/06/79/1376570679.db2.gz QLENRVOMAZQSQO-CQSZACIVSA-N 0 0 334.416 3.411 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc([N+](=O)[O-])c1 ZINC001135145269 1376933581 /nfs/dbraw/zinc/93/35/81/1376933581.db2.gz MZEVXKSAYXHDCP-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC001135398547 1377073067 /nfs/dbraw/zinc/07/30/67/1377073067.db2.gz LEDRIGBMRDTUOG-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN CCOC(=O)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC001135504994 1377121961 /nfs/dbraw/zinc/12/19/61/1377121961.db2.gz UOSWFVXKRCRXEK-INIZCTEOSA-N 0 0 342.351 3.189 10 5 EGBERN O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001135565832 1377148627 /nfs/dbraw/zinc/14/86/27/1377148627.db2.gz FFMROFHAPHSNRN-UHFFFAOYSA-N 0 0 328.111 3.255 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001265724258 1377163940 /nfs/dbraw/zinc/16/39/40/1377163940.db2.gz IPSPYVYOBMERAJ-SMDDNHRTSA-N 0 0 348.399 3.311 10 5 EGBERN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001135897212 1377253987 /nfs/dbraw/zinc/25/39/87/1377253987.db2.gz UFBNENKBVOGSDF-KRWDZBQOSA-N 0 0 341.367 3.163 10 5 EGBERN CCN(CCNC(=O)c1cccc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266375206 1377299875 /nfs/dbraw/zinc/29/98/75/1377299875.db2.gz LPQVYYVKMMOVLM-UHFFFAOYSA-N 0 0 347.440 3.217 10 5 EGBERN O=C(NCc1cccc(F)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136177198 1377361335 /nfs/dbraw/zinc/36/13/35/1377361335.db2.gz BXJZYAIKARAYSW-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN C[C@H](NC(=O)[C@H](O)C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001136308740 1377376174 /nfs/dbraw/zinc/37/61/74/1377376174.db2.gz WDZMNRAMRJCAHL-SUMWQHHRSA-N 0 0 334.416 3.493 10 5 EGBERN CCC[C@H]1SCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136820999 1377426841 /nfs/dbraw/zinc/42/68/41/1377426841.db2.gz NCKRFUZDLFYNAG-LLVKDONJSA-N 0 0 329.809 3.146 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC001137002470 1377455325 /nfs/dbraw/zinc/45/53/25/1377455325.db2.gz NIMNHANYOLQOGZ-JTQLQIEISA-N 0 0 349.337 3.448 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC001137071158 1377472652 /nfs/dbraw/zinc/47/26/52/1377472652.db2.gz LWUFXGHDNPEIET-UHFFFAOYSA-N 0 0 336.250 3.051 10 5 EGBERN CCC1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC001137213544 1377497641 /nfs/dbraw/zinc/49/76/41/1377497641.db2.gz IHGAKZCVMXJHRE-UHFFFAOYSA-N 0 0 343.383 3.218 10 5 EGBERN O=C(N[C@@H]1CC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1Cl ZINC001137869620 1377633443 /nfs/dbraw/zinc/63/34/43/1377633443.db2.gz CGVTWGLTJVSIFU-GFCCVEGCSA-N 0 0 330.727 3.306 10 5 EGBERN CC(C)c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001137983224 1377658029 /nfs/dbraw/zinc/65/80/29/1377658029.db2.gz QWMKCWVEDROBTE-UHFFFAOYSA-N 0 0 328.368 3.396 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnccc1-c1ccccc1 ZINC001138209354 1377689716 /nfs/dbraw/zinc/68/97/16/1377689716.db2.gz MQJKTIORIPONPT-UHFFFAOYSA-N 0 0 334.335 3.491 10 5 EGBERN COc1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c(O)c1 ZINC001138281292 1377697142 /nfs/dbraw/zinc/69/71/42/1377697142.db2.gz GZAYWANZNKZKHL-UHFFFAOYSA-N 0 0 340.694 3.354 10 5 EGBERN COCCc1ccnc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001140522854 1378076914 /nfs/dbraw/zinc/07/69/14/1378076914.db2.gz RDRGOIBZHKPKSQ-UHFFFAOYSA-N 0 0 335.747 3.084 10 5 EGBERN CN(C)c1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001141357968 1378310074 /nfs/dbraw/zinc/31/00/74/1378310074.db2.gz MQZROJSFBVWKCA-UHFFFAOYSA-N 0 0 341.367 3.262 10 5 EGBERN CC(C)c1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)nc1 ZINC001143382787 1378589829 /nfs/dbraw/zinc/58/98/29/1378589829.db2.gz GBVGDUFQDKFWPQ-UHFFFAOYSA-N 0 0 335.310 3.321 10 5 EGBERN O=C(NC1(CO)CCCCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001152185153 1379880072 /nfs/dbraw/zinc/88/00/72/1379880072.db2.gz KVPMDPUQARJGIG-UHFFFAOYSA-N 0 0 345.399 3.281 10 5 EGBERN C=C/C=C/CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001153742577 1380121487 /nfs/dbraw/zinc/12/14/87/1380121487.db2.gz HNNKWGXCQHDTOX-ONEGZZNKSA-N 0 0 339.189 3.148 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NOCc1ccc(F)cc1 ZINC001154004598 1380175406 /nfs/dbraw/zinc/17/54/06/1380175406.db2.gz XZDVYIQPDHWKDB-UHFFFAOYSA-N 0 0 336.344 3.317 10 5 EGBERN Cc1c(C(=O)NC2(C)CC(F)(F)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001154044689 1380190925 /nfs/dbraw/zinc/19/09/25/1380190925.db2.gz YUHZDMFYNKPCQC-UHFFFAOYSA-N 0 0 343.286 3.037 10 5 EGBERN O=C(NCc1ncccc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001156770448 1380631308 /nfs/dbraw/zinc/63/13/08/1380631308.db2.gz NVSPESLXHUHOHY-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c(N)c1[N+](=O)[O-] ZINC001158232194 1381168680 /nfs/dbraw/zinc/16/86/80/1381168680.db2.gz SNAKAJRJPYOCBZ-ZDUSSCGKSA-N 0 0 339.351 3.184 10 5 EGBERN C[C@@H](CC1CCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001287415309 1381199793 /nfs/dbraw/zinc/19/97/93/1381199793.db2.gz YONQQILBIITFSY-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1sccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001287722379 1381366532 /nfs/dbraw/zinc/36/65/32/1381366532.db2.gz ADWHEAWLZSDLFW-CQSZACIVSA-N 0 0 331.353 3.096 10 5 EGBERN Cc1ccc(C(=O)C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001287975240 1381459131 /nfs/dbraw/zinc/45/91/31/1381459131.db2.gz SGWWBQSKUQFMFJ-UHFFFAOYSA-N 0 0 327.336 3.446 10 5 EGBERN COc1c(C(=O)N2CCc3cc(F)c(F)cc3C2)cccc1[N+](=O)[O-] ZINC001288316635 1381775117 /nfs/dbraw/zinc/77/51/17/1381775117.db2.gz XHTUJRGLPXICOD-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC001328429530 1388743865 /nfs/dbraw/zinc/74/38/65/1388743865.db2.gz OVEAJPPAKYMJTR-MNOVXSKESA-N 0 0 343.221 3.357 10 5 EGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001289026816 1381973285 /nfs/dbraw/zinc/97/32/85/1381973285.db2.gz JZVAZKYBZMRFAF-HSZRJFAPSA-N 0 0 335.385 3.180 10 5 EGBERN Cc1cc(C(=O)N=[S@@]2(=O)CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001289028070 1381974230 /nfs/dbraw/zinc/97/42/30/1381974230.db2.gz FSRNYZZAFMIEDQ-HSZRJFAPSA-N 0 0 330.365 3.127 10 5 EGBERN CCOc1ccc(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001289506312 1382002133 /nfs/dbraw/zinc/00/21/33/1382002133.db2.gz ZHGZYHAJEYENEC-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC001160727394 1382180270 /nfs/dbraw/zinc/18/02/70/1382180270.db2.gz NTRAFYVZNMCWNV-NTZNESFSSA-N 0 0 343.387 3.391 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC001292427296 1382196479 /nfs/dbraw/zinc/19/64/79/1382196479.db2.gz RFJRSLMHJISDNX-CQSZACIVSA-N 0 0 326.356 3.000 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccccn1 ZINC001161029555 1382277063 /nfs/dbraw/zinc/27/70/63/1382277063.db2.gz VLOPDBSYWSIVLG-ZDUSSCGKSA-N 0 0 344.327 3.088 10 5 EGBERN CC(C)[C@@H](O)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001293600478 1382311859 /nfs/dbraw/zinc/31/18/59/1382311859.db2.gz YPRDRIVXVFCWDL-NSHDSACASA-N 0 0 335.187 3.038 10 5 EGBERN COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c(C)c1 ZINC001294640917 1382481861 /nfs/dbraw/zinc/48/18/61/1382481861.db2.gz UOBINCANRFLVJJ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2c(C)cccn2c1 ZINC001295513392 1382660764 /nfs/dbraw/zinc/66/07/64/1382660764.db2.gz GMTSUARFBFMMPA-UHFFFAOYSA-N 0 0 339.351 3.095 10 5 EGBERN CCc1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])on1 ZINC001162598232 1382803785 /nfs/dbraw/zinc/80/37/85/1382803785.db2.gz OFQWXJWPTFDURQ-UHFFFAOYSA-N 0 0 332.747 3.381 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC001162631199 1382816179 /nfs/dbraw/zinc/81/61/79/1382816179.db2.gz DDQYWLIVEUWMAR-CYBMUJFWSA-N 0 0 343.383 3.436 10 5 EGBERN O=[N+]([O-])c1cc(F)cc(Oc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001162861268 1382898774 /nfs/dbraw/zinc/89/87/74/1382898774.db2.gz CZUMVVJQBVHXBW-UHFFFAOYSA-N 0 0 326.211 3.066 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC/C=C/c1ccccc1 ZINC001162929762 1382919589 /nfs/dbraw/zinc/91/95/89/1382919589.db2.gz RPLSYLAVROYLBB-VMPITWQZSA-N 0 0 326.278 3.472 10 5 EGBERN Nc1nc(Oc2ccc(Cl)c(Br)c2)ncc1[N+](=O)[O-] ZINC001163327150 1383023181 /nfs/dbraw/zinc/02/31/81/1383023181.db2.gz PMRMBIPLBXSZQD-UHFFFAOYSA-N 0 0 345.540 3.175 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(C)CC2(Cl)Cl)c1 ZINC001163327639 1383023280 /nfs/dbraw/zinc/02/32/80/1383023280.db2.gz YTOVVDYMDFPBTJ-LBPRGKRZSA-N 0 0 333.171 3.377 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCCc2cnc3c(Cl)cnn3c2)c1 ZINC001163408294 1383045249 /nfs/dbraw/zinc/04/52/49/1383045249.db2.gz LUHGNXIEJSITAK-UHFFFAOYSA-N 0 0 331.763 3.254 10 5 EGBERN COC(=O)CC1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001163519983 1383071180 /nfs/dbraw/zinc/07/11/80/1383071180.db2.gz YLVORIMPRKOREL-UHFFFAOYSA-N 0 0 346.305 3.393 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC(c2ccccc2)C1 ZINC001296877978 1383080476 /nfs/dbraw/zinc/08/04/76/1383080476.db2.gz NFXQCCCEEJPDAM-UHFFFAOYSA-N 0 0 325.368 3.101 10 5 EGBERN CC(C)c1ncc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001297023857 1383106187 /nfs/dbraw/zinc/10/61/87/1383106187.db2.gz KQZKJXUMLZLBDV-UHFFFAOYSA-N 0 0 334.763 3.343 10 5 EGBERN O=[N+]([O-])c1c(NCc2cccc3c2OC(F)(F)O3)nc2ccccn21 ZINC001163808169 1383124236 /nfs/dbraw/zinc/12/42/36/1383124236.db2.gz OMIYRKZZFQPEBV-UHFFFAOYSA-N 0 0 348.265 3.176 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)n1 ZINC001163937639 1383137505 /nfs/dbraw/zinc/13/75/05/1383137505.db2.gz FVEJKQSZDIVYNE-MRXNPFEDSA-N 0 0 338.367 3.061 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001164169749 1383162471 /nfs/dbraw/zinc/16/24/71/1383162471.db2.gz FJAFGYMNRXDLRX-BDAKNGLRSA-N 0 0 343.177 3.111 10 5 EGBERN CCOC(=O)[C@@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001164265761 1383173074 /nfs/dbraw/zinc/17/30/74/1383173074.db2.gz YQTDJWSXPAPDPR-MRVPVSSYSA-N 0 0 333.171 3.291 10 5 EGBERN Cc1noc(COc2ccc(C=O)cc2Br)c1[N+](=O)[O-] ZINC001164483678 1383191423 /nfs/dbraw/zinc/19/14/23/1383191423.db2.gz ADFSWBONWYEBAQ-UHFFFAOYSA-N 0 0 341.117 3.045 10 5 EGBERN Cc1ccc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1Cl ZINC001164670978 1383216170 /nfs/dbraw/zinc/21/61/70/1383216170.db2.gz BWQBZZKTYYIWFD-UHFFFAOYSA-N 0 0 340.788 3.234 10 5 EGBERN Cc1ccc(CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)cc1[N+](=O)[O-] ZINC001165868928 1383353956 /nfs/dbraw/zinc/35/39/56/1383353956.db2.gz HEVFGILSJSQWHI-RYUDHWBXSA-N 0 0 345.399 3.150 10 5 EGBERN Cc1cc(OC[C@@H]2CCC[C@]3(CCOC3)O2)c(F)cc1[N+](=O)[O-] ZINC001166029780 1383379227 /nfs/dbraw/zinc/37/92/27/1383379227.db2.gz HUSSNSYGMBKLPC-BLLLJJGKSA-N 0 0 325.336 3.149 10 5 EGBERN COc1ccc2c(c1)on(Cc1ccc(Cl)cc1[N+](=O)[O-])c2=O ZINC001166155102 1383395593 /nfs/dbraw/zinc/39/55/93/1383395593.db2.gz JAIYVADMWOBCJP-UHFFFAOYSA-N 0 0 334.715 3.213 10 5 EGBERN CCOC(=O)c1csc(COc2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC001166320373 1383411698 /nfs/dbraw/zinc/41/16/98/1383411698.db2.gz CGGJEJLNSHEKCB-UHFFFAOYSA-N 0 0 344.295 3.085 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2ccc(Nc3ccccc3)cn2)c1[N+](=O)[O-] ZINC001167415863 1383627976 /nfs/dbraw/zinc/62/79/76/1383627976.db2.gz CMUVGXBGZKSDML-UHFFFAOYSA-N 0 0 338.327 3.017 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 ZINC001167420644 1383629301 /nfs/dbraw/zinc/62/93/01/1383629301.db2.gz HTCFKEUAPRHMGF-GXFFZTMASA-N 0 0 343.221 3.357 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccco2)on1 ZINC001299858812 1383632882 /nfs/dbraw/zinc/63/28/82/1383632882.db2.gz NGWWJDYIFYGHDC-UHFFFAOYSA-N 0 0 328.284 3.137 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(F)(F)F)o1 ZINC001300028347 1383640043 /nfs/dbraw/zinc/64/00/43/1383640043.db2.gz YEBXHICKXAPMQX-LBPRGKRZSA-N 0 0 343.261 3.112 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001301062343 1383693541 /nfs/dbraw/zinc/69/35/41/1383693541.db2.gz RTLRLPDAHHOOAR-NSHDSACASA-N 0 0 337.807 3.483 10 5 EGBERN CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001167860455 1383760328 /nfs/dbraw/zinc/76/03/28/1383760328.db2.gz UICYZDSGYBWQEK-UHFFFAOYSA-N 0 0 327.384 3.320 10 5 EGBERN CC(C)(NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001303080348 1383782452 /nfs/dbraw/zinc/78/24/52/1383782452.db2.gz SOEBCBBRGDUVQO-UHFFFAOYSA-N 0 0 342.277 3.002 10 5 EGBERN O=C(C[C@@H]1CC=CCC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528890 1383803050 /nfs/dbraw/zinc/80/30/50/1383803050.db2.gz HSMKYFPQOBFSRE-CYBMUJFWSA-N 0 0 342.399 3.266 10 5 EGBERN CCC[C@H](C)CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528732 1383803189 /nfs/dbraw/zinc/80/31/89/1383803189.db2.gz OUMDBBLISFGHIL-LBPRGKRZSA-N 0 0 332.404 3.346 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001303573622 1383807244 /nfs/dbraw/zinc/80/72/44/1383807244.db2.gz UIHHPBKLJNJVBI-SCZZXKLOSA-N 0 0 338.726 3.243 10 5 EGBERN CN(CCc1ncon1)C(=O)c1cc2ccccc2c2cccnc12 ZINC001304027380 1383821837 /nfs/dbraw/zinc/82/18/37/1383821837.db2.gz HDWCYVCNGXSTLW-UHFFFAOYSA-N 0 0 332.363 3.086 10 5 EGBERN CC[C@H](C)NC(=O)c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC001306930570 1383922805 /nfs/dbraw/zinc/92/28/05/1383922805.db2.gz BTVPJVJMTCCOCW-JTQLQIEISA-N 0 0 334.401 3.192 10 5 EGBERN CC(C)COC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001306955017 1383925520 /nfs/dbraw/zinc/92/55/20/1383925520.db2.gz YJVYJBBLTPVVLF-UHFFFAOYSA-N 0 0 341.795 3.163 10 5 EGBERN CCOC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001307070422 1383936344 /nfs/dbraw/zinc/93/63/44/1383936344.db2.gz FWBIWDAKZFBLRF-UHFFFAOYSA-N 0 0 328.368 3.207 10 5 EGBERN COC(=O)Cc1ccc(NCCc2sccc2C)c([N+](=O)[O-])c1 ZINC001307079773 1383937845 /nfs/dbraw/zinc/93/78/45/1383937845.db2.gz YRXBCTLNALDREJ-UHFFFAOYSA-N 0 0 334.397 3.335 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@@H]1O ZINC001307083183 1383938137 /nfs/dbraw/zinc/93/81/37/1383938137.db2.gz HOEQTLTXZRNBKZ-ACJLOTCBSA-N 0 0 340.379 3.033 10 5 EGBERN Cc1cc(N2CCN(Cc3cccc(F)c3)CC2)c([N+](=O)[O-])s1 ZINC001307086371 1383938207 /nfs/dbraw/zinc/93/82/07/1383938207.db2.gz XGKIANXSHUXTSH-UHFFFAOYSA-N 0 0 335.404 3.426 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001307137516 1383943590 /nfs/dbraw/zinc/94/35/90/1383943590.db2.gz MSTZMEPAXUEFDV-WAAGHKOSSA-N 0 0 328.752 3.014 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001307137936 1383943643 /nfs/dbraw/zinc/94/36/43/1383943643.db2.gz FNEPHESDINPJFC-HWKANZROSA-N 0 0 347.758 3.442 10 5 EGBERN Cc1cc(NCc2cc(=O)cc[nH]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307137241 1383943939 /nfs/dbraw/zinc/94/39/39/1383943939.db2.gz DRCCLHJTIAUBEC-UHFFFAOYSA-N 0 0 327.262 3.222 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001307181572 1383951558 /nfs/dbraw/zinc/95/15/58/1383951558.db2.gz KVTBXMLOQPXGHF-WBVHZDCISA-N 0 0 343.339 3.205 10 5 EGBERN Cc1cc(NCc2cc(=O)c3ccccc3[nH]2)c(F)cc1[N+](=O)[O-] ZINC001307188856 1383953384 /nfs/dbraw/zinc/95/33/84/1383953384.db2.gz RQDCETARNQHEOE-UHFFFAOYSA-N 0 0 327.315 3.496 10 5 EGBERN CCc1nccn1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001307206608 1383956877 /nfs/dbraw/zinc/95/68/77/1383956877.db2.gz BRBJQBHCDNTOMK-UHFFFAOYSA-N 0 0 326.303 3.067 10 5 EGBERN Cc1n[nH]c(C)c1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001307208863 1383957670 /nfs/dbraw/zinc/95/76/70/1383957670.db2.gz RZLKLWPHKMDLEX-UHFFFAOYSA-N 0 0 332.751 3.143 10 5 EGBERN CC(C)c1nccc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001307209772 1383957988 /nfs/dbraw/zinc/95/79/88/1383957988.db2.gz NGAMBXDMYVITIF-UHFFFAOYSA-N 0 0 340.387 3.429 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC(Cl)(Cl)C1 ZINC001307215888 1383958770 /nfs/dbraw/zinc/95/87/70/1383958770.db2.gz MZKGAMCDNCWHER-UHFFFAOYSA-N 0 0 333.171 3.438 10 5 EGBERN Cc1cc(NCC(=O)N2CCCCc3ccccc32)ncc1[N+](=O)[O-] ZINC001307223635 1383960493 /nfs/dbraw/zinc/96/04/93/1383960493.db2.gz VPADQIQMOZLWBD-UHFFFAOYSA-N 0 0 340.383 3.080 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1cc([N+](=O)[O-])ccc1OC ZINC001307248434 1383963686 /nfs/dbraw/zinc/96/36/86/1383963686.db2.gz OFTGFANZVXCKMU-UHFFFAOYSA-N 0 0 346.339 3.063 10 5 EGBERN COC(=O)c1nn(Cc2ccc(C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001307388148 1383981473 /nfs/dbraw/zinc/98/14/73/1383981473.db2.gz ZEOMAIFATVRZNA-UHFFFAOYSA-N 0 0 329.356 3.284 10 5 EGBERN Cc1c(Br)ccc(OCC(=O)OCC(C)C)c1[N+](=O)[O-] ZINC001307404426 1383983561 /nfs/dbraw/zinc/98/35/61/1383983561.db2.gz SZYRDHHAPPMCNJ-UHFFFAOYSA-N 0 0 346.177 3.244 10 5 EGBERN CC(=O)c1nn(C(C)C)c(C)c1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307411322 1383985417 /nfs/dbraw/zinc/98/54/17/1383985417.db2.gz SPNWYUXVBPCDMJ-UHFFFAOYSA-N 0 0 345.355 3.145 10 5 EGBERN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2cccc(F)c2O1 ZINC001307696692 1384016247 /nfs/dbraw/zinc/01/62/47/1384016247.db2.gz AAFNBERXKOKCSZ-GFCCVEGCSA-N 0 0 332.331 3.400 10 5 EGBERN Cc1cc(F)cc2c1CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001307720022 1384018329 /nfs/dbraw/zinc/01/83/29/1384018329.db2.gz WGOOYRFNOYZWEW-UHFFFAOYSA-N 0 0 330.359 3.479 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001308071909 1384086669 /nfs/dbraw/zinc/08/66/69/1384086669.db2.gz HTOMRIDIPHEQGF-HNNXBMFYSA-N 0 0 349.431 3.330 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@]1(C)C1CC1 ZINC001308144067 1384100437 /nfs/dbraw/zinc/10/04/37/1384100437.db2.gz WLTHOOFALFXNLO-SFHVURJKSA-N 0 0 334.416 3.383 10 5 EGBERN Nc1c(F)cccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001169727136 1384178943 /nfs/dbraw/zinc/17/89/43/1384178943.db2.gz XAYCNNQCCDYDCY-UHFFFAOYSA-N 0 0 341.701 3.039 10 5 EGBERN C=COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001310860500 1384243552 /nfs/dbraw/zinc/24/35/52/1384243552.db2.gz GAAHUBOMBKDGIW-UHFFFAOYSA-N 0 0 343.339 3.447 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001312313042 1384339059 /nfs/dbraw/zinc/33/90/59/1384339059.db2.gz JLRKTTJPXGCDBU-LSDHHAIUSA-N 0 0 335.404 3.160 10 5 EGBERN CCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC001312361712 1384343227 /nfs/dbraw/zinc/34/32/27/1384343227.db2.gz DAVWGMWOTVNHQU-OAHLLOKOSA-N 0 0 335.404 3.371 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC1(C)C ZINC001312890759 1384377774 /nfs/dbraw/zinc/37/77/74/1384377774.db2.gz FLJRPCIBOLTANS-HOTGVXAUSA-N 0 0 331.416 3.487 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001313154851 1384399876 /nfs/dbraw/zinc/39/98/76/1384399876.db2.gz HRNYUPZNSJCSSY-MRXNPFEDSA-N 0 0 349.431 3.034 10 5 EGBERN C[C@@H](CNC(=O)NC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001313350317 1384412428 /nfs/dbraw/zinc/41/24/28/1384412428.db2.gz DNDQMWHYDIKCNU-AWEZNQCLSA-N 0 0 349.431 3.083 10 5 EGBERN CC1(CC(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001313445403 1384424271 /nfs/dbraw/zinc/42/42/71/1384424271.db2.gz UZTLWIGYTQYTIW-UHFFFAOYSA-N 0 0 345.443 3.209 10 5 EGBERN CCN(CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC001171427298 1384520699 /nfs/dbraw/zinc/52/06/99/1384520699.db2.gz WUMJRZQQNJXTHB-UHFFFAOYSA-N 0 0 328.294 3.337 10 5 EGBERN Cc1ccc(O)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001171479058 1384535952 /nfs/dbraw/zinc/53/59/52/1384535952.db2.gz OKQHNIIEDXKSML-UHFFFAOYSA-N 0 0 327.340 3.435 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC12CCCCCC2 ZINC001171737552 1384619741 /nfs/dbraw/zinc/61/97/41/1384619741.db2.gz NUGUKEZWYWOCBY-OAHLLOKOSA-N 0 0 346.431 3.393 10 5 EGBERN Cc1ccc(CNC(=O)c2c(Cl)nc3ccccn32)cc1[N+](=O)[O-] ZINC001171890398 1384672529 /nfs/dbraw/zinc/67/25/29/1384672529.db2.gz GXJQILOTCVETSC-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001176047801 1385472079 /nfs/dbraw/zinc/47/20/79/1385472079.db2.gz YORHZQFVHSZDOR-SFHVURJKSA-N 0 0 325.368 3.328 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@H](CO)c2cc(F)ccc2F)ccc1Cl ZINC001176927117 1385745305 /nfs/dbraw/zinc/74/53/05/1385745305.db2.gz NGURWPGLCUPDHU-CQSZACIVSA-N 0 0 342.729 3.350 10 5 EGBERN CC(C)CCCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177681267 1386021782 /nfs/dbraw/zinc/02/17/82/1386021782.db2.gz MDPNLOWTEAPNKI-UHFFFAOYSA-N 0 0 332.404 3.346 10 5 EGBERN Cc1nn(CN2CCc3cc(C(C)(C)C)ccc3C2)cc1[N+](=O)[O-] ZINC001320041969 1386470753 /nfs/dbraw/zinc/47/07/53/1386470753.db2.gz UWOFCRPDDGKLSR-UHFFFAOYSA-N 0 0 328.416 3.413 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c(N)c1[N+](=O)[O-] ZINC001179879925 1386616745 /nfs/dbraw/zinc/61/67/45/1386616745.db2.gz WCPFMPQWLOKZME-GFCCVEGCSA-N 0 0 333.388 3.163 10 5 EGBERN CN(CC(=O)N1CCC[C@@H](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001181062682 1386928374 /nfs/dbraw/zinc/92/83/74/1386928374.db2.gz LQDOGVYPSAFLHZ-MRXNPFEDSA-N 0 0 345.443 3.460 10 5 EGBERN Cc1cncc(/C=C\c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1 ZINC001322398634 1387178921 /nfs/dbraw/zinc/17/89/21/1387178921.db2.gz DPXRYPQQDRJJRW-SREVYHEPSA-N 0 0 338.323 3.431 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NCc1cnc(-c2ccccc2)s1 ZINC001322467247 1387191981 /nfs/dbraw/zinc/19/19/81/1387191981.db2.gz YAIMSZRVWHFENZ-UHFFFAOYSA-N 0 0 326.381 3.456 10 5 EGBERN COc1c(C(=O)OC[C@H](OC)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001329451413 1389116134 /nfs/dbraw/zinc/11/61/34/1389116134.db2.gz XXNUMUGITZRMGA-HNNXBMFYSA-N 0 0 337.372 3.356 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCCO1 ZINC001329939234 1389268174 /nfs/dbraw/zinc/26/81/74/1389268174.db2.gz GXIJVFCTKDCFEI-DLBZAZTESA-N 0 0 347.415 3.010 10 5 EGBERN COc1ccc(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC001331808408 1389876692 /nfs/dbraw/zinc/87/66/92/1389876692.db2.gz GSBZRRNUKOTMDY-UHFFFAOYSA-N 0 0 343.383 3.094 10 5 EGBERN O=C(C1C[C@H]2CC[C@@H](C1)S2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331931886 1389916013 /nfs/dbraw/zinc/91/60/13/1389916013.db2.gz SDZZCEKSGZHNLN-SFESLNEESA-N 0 0 332.425 3.154 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccsc2[C@H]1C ZINC001331973691 1389930338 /nfs/dbraw/zinc/93/03/38/1389930338.db2.gz DQSUHHAGPACCLU-SNVBAGLBSA-N 0 0 332.381 3.424 10 5 EGBERN CC(C)O[C@@]1(COc2cc(F)c(Cl)cc2[N+](=O)[O-])CCOC1 ZINC001333294392 1390278063 /nfs/dbraw/zinc/27/80/63/1390278063.db2.gz ZIKVCWZONTZJPW-AWEZNQCLSA-N 0 0 333.743 3.350 10 5 EGBERN C[C@H](NC(=O)C1(C)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001334855707 1390605982 /nfs/dbraw/zinc/60/59/82/1390605982.db2.gz SENQALHWQDNQRT-ZDUSSCGKSA-N 0 0 348.399 3.095 10 5 EGBERN O=C(NC[C@@H]1CCCC2(CCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335296159 1390669114 /nfs/dbraw/zinc/66/91/14/1390669114.db2.gz HUGDNSTYQLTVED-INIZCTEOSA-N 0 0 345.399 3.112 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(C)(C)n2ccnc2)c1 ZINC001344107752 1390756048 /nfs/dbraw/zinc/75/60/48/1390756048.db2.gz PJOQKRIHLFTIML-UHFFFAOYSA-N 0 0 335.385 3.105 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@]12CCC[C@@H]1OCC2 ZINC001344315242 1390781274 /nfs/dbraw/zinc/78/12/74/1390781274.db2.gz NGDQFCHLPRLVSS-FUHWJXTLSA-N 0 0 344.367 3.121 10 5 EGBERN COc1nscc1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001344448129 1390791914 /nfs/dbraw/zinc/79/19/14/1390791914.db2.gz NNOCIFLDMUYSSP-UHFFFAOYSA-N 0 0 336.373 3.032 10 5 EGBERN C[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(Cl)Cl ZINC001344507567 1390796103 /nfs/dbraw/zinc/79/61/03/1390796103.db2.gz UGTTVNPBNOMKSB-ZDUSSCGKSA-N 0 0 342.182 3.390 10 5 EGBERN CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345465569 1390861208 /nfs/dbraw/zinc/86/12/08/1390861208.db2.gz JGTDSHOUCXLMTN-BLLLJJGKSA-N 0 0 343.383 3.373 10 5 EGBERN O=C(OCc1ccnn1C(F)F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345532995 1390864201 /nfs/dbraw/zinc/86/42/01/1390864201.db2.gz VAHASPPGBZIFOC-STQMWFEESA-N 0 0 337.282 3.033 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCOC2(CCC2)C1 ZINC001345609948 1390868752 /nfs/dbraw/zinc/86/87/52/1390868752.db2.gz LUQZWVHRASLJTG-OAHLLOKOSA-N 0 0 333.384 3.420 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001345651816 1390872079 /nfs/dbraw/zinc/87/20/79/1390872079.db2.gz AJXJKEPNEZRIBT-CABCVRRESA-N 0 0 339.413 3.291 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001346288735 1390919789 /nfs/dbraw/zinc/91/97/89/1390919789.db2.gz NSIARMWKVOCCKU-LLVKDONJSA-N 0 0 339.392 3.176 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(Cc2c[nH]cn2)CC1 ZINC001347488997 1391082874 /nfs/dbraw/zinc/08/28/74/1391082874.db2.gz XTBVUMCZOXBSFF-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001348254055 1391192915 /nfs/dbraw/zinc/19/29/15/1391192915.db2.gz JKQUOTRRLFOHAU-GOEBONIOSA-N 0 0 343.383 3.250 10 5 EGBERN COC(=O)c1cccc(OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001348650183 1391248562 /nfs/dbraw/zinc/24/85/62/1391248562.db2.gz GXJKBNMENSHHFH-UHFFFAOYSA-N 0 0 343.335 3.265 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC2(C1)CCCCC2 ZINC001348967230 1391290665 /nfs/dbraw/zinc/29/06/65/1391290665.db2.gz JEVUQSJHRPSKKF-UHFFFAOYSA-N 0 0 331.416 3.483 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)(C)n1ccnc1 ZINC001349025574 1391297545 /nfs/dbraw/zinc/29/75/45/1391297545.db2.gz YHTATNOCMCEEGU-UHFFFAOYSA-N 0 0 349.412 3.495 10 5 EGBERN COc1cc(C(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1F ZINC001349205106 1391310866 /nfs/dbraw/zinc/31/08/66/1391310866.db2.gz FWGDGFTUGICYAC-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN CC(C)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC001349544150 1391339518 /nfs/dbraw/zinc/33/95/18/1391339518.db2.gz UEYOLAHXDZXKLD-UHFFFAOYSA-N 0 0 336.298 3.341 10 5 EGBERN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349621313 1391345805 /nfs/dbraw/zinc/34/58/05/1391345805.db2.gz ZFQPOAMTKQOHAC-QAPCUYQASA-N 0 0 345.443 3.460 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001349942591 1391388968 /nfs/dbraw/zinc/38/89/68/1391388968.db2.gz QRGGNQBQRZMWTG-SNVBAGLBSA-N 0 0 328.324 3.179 10 5 EGBERN O=C(NCC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001350246707 1391436547 /nfs/dbraw/zinc/43/65/47/1391436547.db2.gz YGRGUAVZFULITK-GFCCVEGCSA-N 0 0 329.356 3.296 10 5 EGBERN COc1ccc(C(=O)OCCCc2scnc2C)cc1[N+](=O)[O-] ZINC001350387672 1391457041 /nfs/dbraw/zinc/45/70/41/1391457041.db2.gz MLCWREBSVIHCPE-UHFFFAOYSA-N 0 0 336.369 3.158 10 5 EGBERN COC(=O)/C=C/c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC001350395906 1391458403 /nfs/dbraw/zinc/45/84/03/1391458403.db2.gz CZILXBNEHSVDJT-FNORWQNLSA-N 0 0 344.323 3.243 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ncn1 ZINC001350397264 1391458482 /nfs/dbraw/zinc/45/84/82/1391458482.db2.gz QBVGVXTYPIHIBU-UHFFFAOYSA-N 0 0 346.652 3.309 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1COCC2)c1cccc([N+](=O)[O-])c1 ZINC001350553106 1391479904 /nfs/dbraw/zinc/47/99/04/1391479904.db2.gz KZIJYBQINIXHCV-GFCCVEGCSA-N 0 0 326.352 3.159 10 5 EGBERN CCNc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001350727852 1391516645 /nfs/dbraw/zinc/51/66/45/1391516645.db2.gz NVHQSKWNALGGAV-UHFFFAOYSA-N 0 0 332.335 3.132 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1ccc(Cl)cc1 ZINC001350946532 1391565863 /nfs/dbraw/zinc/56/58/63/1391565863.db2.gz XORINSBTBZMJBW-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN Cc1c(OC(=O)[C@]2(C)COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC001351046958 1391587039 /nfs/dbraw/zinc/58/70/39/1391587039.db2.gz DQEZYXSPWSFIAH-KRWDZBQOSA-N 0 0 329.308 3.039 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001351358700 1391630917 /nfs/dbraw/zinc/63/09/17/1391630917.db2.gz NESKGDUUONNASP-UHFFFAOYSA-N 0 0 336.259 3.234 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)cc1[N+](=O)[O-] ZINC001351387900 1391635648 /nfs/dbraw/zinc/63/56/48/1391635648.db2.gz GHXQXZODRJMNDX-GFCCVEGCSA-N 0 0 343.314 3.107 10 5 EGBERN O=C(C[C@H]1Cc2ccccc2O1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351888271 1391710532 /nfs/dbraw/zinc/71/05/32/1391710532.db2.gz WMAHTKZMJFTQSD-SNVBAGLBSA-N 0 0 334.278 3.205 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1COc2ccccc2C1 ZINC001351972878 1391732253 /nfs/dbraw/zinc/73/22/53/1391732253.db2.gz PPLJVLNUSVRGOS-LBPRGKRZSA-N 0 0 344.342 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC001352597446 1391819586 /nfs/dbraw/zinc/81/95/86/1391819586.db2.gz CIOXXYXANMWYIT-NWDGAFQWSA-N 0 0 349.387 3.063 10 5 EGBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001352732629 1391837192 /nfs/dbraw/zinc/83/71/92/1391837192.db2.gz DMWXPPCALFQBJF-HZPDHXFCSA-N 0 0 349.350 3.122 10 5 EGBERN COc1cc(F)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001354043932 1392118138 /nfs/dbraw/zinc/11/81/38/1392118138.db2.gz JGJBFYSXCGJKBG-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN COc1cccc([C@@H](C)NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001354294219 1392136687 /nfs/dbraw/zinc/13/66/87/1392136687.db2.gz AAJASGJWBLCSCC-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001355002706 1392184741 /nfs/dbraw/zinc/18/47/41/1392184741.db2.gz BHQJXEKGKWQXIK-ZDUSSCGKSA-N 0 0 344.342 3.486 10 5 EGBERN CN(CCNC(=O)CCCCC(C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001690131807 1404326994 /nfs/dbraw/zinc/32/69/94/1404326994.db2.gz AVELWESFWGFOJP-UHFFFAOYSA-N 0 0 336.436 3.149 10 5 EGBERN CN(CCN(C)C(=O)C1CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001732575372 1428775351 /nfs/dbraw/zinc/77/53/51/1428775351.db2.gz AMVUZCNWDVAELY-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001709745019 1417450351 /nfs/dbraw/zinc/45/03/51/1417450351.db2.gz CUQKAPRKKFNNRH-BETUJISGSA-N 0 0 329.404 3.356 10 5 EGBERN Cc1cccc(C)c1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001714563093 1419290682 /nfs/dbraw/zinc/29/06/82/1419290682.db2.gz PANPHWABVFWPCY-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CCCN(CCNC(=O)c1ccoc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648455 1419424949 /nfs/dbraw/zinc/42/49/49/1419424949.db2.gz UFHZOUYZJHRBGO-UHFFFAOYSA-N 0 0 345.399 3.138 10 5 EGBERN CC(C)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(=O)CC1CC1 ZINC001725726612 1426388661 /nfs/dbraw/zinc/38/86/61/1426388661.db2.gz UJZMVULTAKRXKU-UHFFFAOYSA-N 0 0 339.461 3.125 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001741550855 1439506389 /nfs/dbraw/zinc/50/63/89/1439506389.db2.gz ALYPWZWPVPPAQL-DOMZBBRYSA-N 0 0 347.394 3.304 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1Cc1ccco1 ZINC001744549031 1439663837 /nfs/dbraw/zinc/66/38/37/1439663837.db2.gz NKVOCJOTBVWFNC-UHFFFAOYSA-N 0 0 341.371 3.026 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(N3CCCC3)n2CC(F)(F)F)c1 ZINC001750431567 1440106120 /nfs/dbraw/zinc/10/61/20/1440106120.db2.gz YBUMRKWEOKACLH-UHFFFAOYSA-N 0 0 341.293 3.016 10 5 EGBERN Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1[C@@H]1C[C@H]1C(C)C ZINC001751884912 1440125567 /nfs/dbraw/zinc/12/55/67/1440125567.db2.gz XIGRQEXVYLMVNM-DOTOQJQBSA-N 0 0 343.431 3.391 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001752039481 1440134617 /nfs/dbraw/zinc/13/46/17/1440134617.db2.gz MYRDVDGEWXTYJZ-SWLSCSKDSA-N 0 0 341.415 3.356 10 5 EGBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCC1(C)CC1 ZINC001762520786 1441376150 /nfs/dbraw/zinc/37/61/50/1441376150.db2.gz NNCWCLLNSAYZMI-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000368315111 168341596 /nfs/dbraw/zinc/34/15/96/168341596.db2.gz HHGIFWGOJHKUIO-VSOYFRJCSA-N 0 0 344.411 3.273 10 5 EGBERN Cc1ncsc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142423 282230553 /nfs/dbraw/zinc/23/05/53/282230553.db2.gz QGTDVBDMWCWMCG-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN CCc1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000175151487 529731083 /nfs/dbraw/zinc/73/10/83/529731083.db2.gz FBJWAWNRDAIXDU-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN CN(C)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000008777014 282281526 /nfs/dbraw/zinc/28/15/26/282281526.db2.gz MIJCEFFXZGDPPZ-LLVKDONJSA-N 0 0 345.321 3.075 10 5 EGBERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587723 168515826 /nfs/dbraw/zinc/51/58/26/168515826.db2.gz IZGMDSWCBQKFIO-ZBEGNZNMSA-N 0 0 329.331 3.352 10 5 EGBERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000103362743 219293581 /nfs/dbraw/zinc/29/35/81/219293581.db2.gz GDTKKCPJIPTWSV-JTQLQIEISA-N 0 0 335.385 3.248 10 5 EGBERN NN=c1nc[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040656762 213365328 /nfs/dbraw/zinc/36/53/28/213365328.db2.gz FJMJZKBPPWCDCB-UHFFFAOYSA-N 0 0 348.672 3.086 10 5 EGBERN CCOc1ncnc(Nc2cccc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000040659639 213365121 /nfs/dbraw/zinc/36/51/21/213365121.db2.gz XFTLEQFDUBYDOK-UHFFFAOYSA-N 0 0 325.328 3.384 10 5 EGBERN CCc1ccccc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040587138 213355548 /nfs/dbraw/zinc/35/55/48/213355548.db2.gz FHKZTENNZIHHCB-UHFFFAOYSA-N 0 0 330.392 3.406 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(COC(C)C)cc1 ZINC000040541828 213344874 /nfs/dbraw/zinc/34/48/74/213344874.db2.gz HJSHFURIDLZOIY-UHFFFAOYSA-N 0 0 343.383 3.153 10 5 EGBERN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000070039820 291053621 /nfs/dbraw/zinc/05/36/21/291053621.db2.gz KTZUDPAYFYAKBQ-WCQYABFASA-N 0 0 343.358 3.102 10 5 EGBERN Cc1nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c2c(C)n1 ZINC000032931539 212877897 /nfs/dbraw/zinc/87/78/97/212877897.db2.gz GQKJKFVTCZMYJC-UHFFFAOYSA-N 0 0 343.368 3.051 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000191333718 239048859 /nfs/dbraw/zinc/04/88/59/239048859.db2.gz DUXOLTJUQCHBBK-CQSZACIVSA-N 0 0 343.387 3.105 10 5 EGBERN COc1ccccc1[C@H](C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000025106581 212459747 /nfs/dbraw/zinc/45/97/47/212459747.db2.gz DYJFDCAAACVPQI-ZDUSSCGKSA-N 0 0 328.368 3.366 10 5 EGBERN Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000074238268 216467957 /nfs/dbraw/zinc/46/79/57/216467957.db2.gz DODMQXVZVVNPCT-QGZVFWFLSA-N 0 0 326.352 3.178 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000193620329 240236620 /nfs/dbraw/zinc/23/66/20/240236620.db2.gz WAPRSTZMVFBCBH-ZDUSSCGKSA-N 0 0 345.355 3.218 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000240900779 242979698 /nfs/dbraw/zinc/97/96/98/242979698.db2.gz ITVCXDAPTYGRSP-CYBMUJFWSA-N 0 0 335.335 3.134 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000110455061 220037632 /nfs/dbraw/zinc/03/76/32/220037632.db2.gz BPLJMLSVHXYPAZ-ZFWWWQNUSA-N 0 0 326.352 3.137 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000015686207 211843599 /nfs/dbraw/zinc/84/35/99/211843599.db2.gz ZIGKYDNRACXPKQ-GFCCVEGCSA-N 0 0 342.351 3.181 10 5 EGBERN CC(C)CCO[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000081815511 217448532 /nfs/dbraw/zinc/44/85/32/217448532.db2.gz XGWRAILUMZIHEH-CQSZACIVSA-N 0 0 345.399 3.353 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376100867 168867099 /nfs/dbraw/zinc/86/70/99/168867099.db2.gz HCHBQOHQBLKCPR-LPQFERQCSA-N 0 0 326.356 3.085 10 5 EGBERN CC(=O)Nc1cccc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000089534653 217810135 /nfs/dbraw/zinc/81/01/35/217810135.db2.gz WKXSIKNMOLLLGK-NSHDSACASA-N 0 0 343.339 3.175 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000378388640 169112580 /nfs/dbraw/zinc/11/25/80/169112580.db2.gz OSOAONYTYCJQBK-WMZOPIPTSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408106833 169160593 /nfs/dbraw/zinc/16/05/93/169160593.db2.gz ZPPNODIXCDWXGY-RDBSUJKOSA-N 0 0 338.429 3.245 10 5 EGBERN C[C@H]1N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC12CCOCC2 ZINC000408207812 169165612 /nfs/dbraw/zinc/16/56/12/169165612.db2.gz ULNWGGXCZIXQEX-GFCCVEGCSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000408262947 169167646 /nfs/dbraw/zinc/16/76/46/169167646.db2.gz AAPBGLNBSPQNQF-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(NC1CC1)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000012257094 211329571 /nfs/dbraw/zinc/32/95/71/211329571.db2.gz OSCRRWDVDCEICQ-MRXNPFEDSA-N 0 0 330.315 3.133 10 5 EGBERN Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000010680513 211185933 /nfs/dbraw/zinc/18/59/33/211185933.db2.gz WCSKQOUDABQBPJ-KRWDZBQOSA-N 0 0 344.342 3.441 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nnc3ccccn32)c2ncccc12 ZINC000092631054 218154304 /nfs/dbraw/zinc/15/43/04/218154304.db2.gz YKNZQDBUDJUXCT-UHFFFAOYSA-N 0 0 348.366 3.230 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1ccco1 ZINC000009591373 211105229 /nfs/dbraw/zinc/10/52/29/211105229.db2.gz TVRJURJLAMZXAG-UHFFFAOYSA-N 0 0 337.763 3.225 10 5 EGBERN C[C@H](c1ccco1)N(C)S(=O)(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000095429737 218372910 /nfs/dbraw/zinc/37/29/10/218372910.db2.gz WDTPERGNEMTHTD-SNVBAGLBSA-N 0 0 349.368 3.051 10 5 EGBERN C[C@@H](c1ccco1)N(C)S(=O)(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000095429736 218373027 /nfs/dbraw/zinc/37/30/27/218373027.db2.gz WDTPERGNEMTHTD-JTQLQIEISA-N 0 0 349.368 3.051 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCC1(c2ccncc2)CC1 ZINC000095450209 218394328 /nfs/dbraw/zinc/39/43/28/218394328.db2.gz XJMSKYCPAXKXAH-UHFFFAOYSA-N 0 0 349.188 3.291 10 5 EGBERN COc1ccc(-c2nnc([C@H](C)Oc3cccnc3[N+](=O)[O-])o2)cc1 ZINC000007551429 210813640 /nfs/dbraw/zinc/81/36/40/210813640.db2.gz BHEKTFTVUCQZMB-JTQLQIEISA-N 0 0 342.311 3.188 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000268245763 251759702 /nfs/dbraw/zinc/75/97/02/251759702.db2.gz SIBMKDCICSCZOJ-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2nnc3n2CCC3)CC1 ZINC000368767775 285089663 /nfs/dbraw/zinc/08/96/63/285089663.db2.gz ZZKPXAWPHHRFSJ-UHFFFAOYSA-N 0 0 347.806 3.170 10 5 EGBERN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000005362821 210448957 /nfs/dbraw/zinc/44/89/57/210448957.db2.gz WODSEWVRTPHUKV-SOFGYWHQSA-N 0 0 327.296 3.463 10 5 EGBERN COC(=O)c1cc(NCc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000097105414 218956653 /nfs/dbraw/zinc/95/66/53/218956653.db2.gz FEYXHYMHKPVEON-UHFFFAOYSA-N 0 0 329.356 3.060 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)cn1 ZINC000355753102 285127851 /nfs/dbraw/zinc/12/78/51/285127851.db2.gz YPJJISPAGKGCKN-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN O=c1[nH]c(N2CC[C@@H](c3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000376216984 285150510 /nfs/dbraw/zinc/15/05/10/285150510.db2.gz CILHTLQQORTNHR-CYBMUJFWSA-N 0 0 336.351 3.238 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000351899007 285187941 /nfs/dbraw/zinc/18/79/41/285187941.db2.gz RXYFWTRCDJNCAB-UHFFFAOYSA-N 0 0 341.293 3.047 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4ccc(Cl)cc4)C3)nn21 ZINC000159691774 285185835 /nfs/dbraw/zinc/18/58/35/285185835.db2.gz UMJSPKNMXBYYKD-LBPRGKRZSA-N 0 0 343.774 3.285 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000172754224 533164167 /nfs/dbraw/zinc/16/41/67/533164167.db2.gz RATHERXXSWWUJU-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nccs3)n2)s1 ZINC000328596065 258043163 /nfs/dbraw/zinc/04/31/63/258043163.db2.gz QBRQBOKRKOVMOR-UHFFFAOYSA-N 0 0 334.382 3.168 10 5 EGBERN COc1cccc(COC(=O)CCc2cccc([N+](=O)[O-])c2)c1OC ZINC000152836742 533520843 /nfs/dbraw/zinc/52/08/43/533520843.db2.gz VPMWFCDIJJXHPF-UHFFFAOYSA-N 0 0 345.351 3.288 10 5 EGBERN COc1cc(C(=O)N2CCC3(C2)CCCCC3)c([N+](=O)[O-])cc1OC ZINC000173995064 533516572 /nfs/dbraw/zinc/51/65/72/533516572.db2.gz UEWUESHOXGUERO-UHFFFAOYSA-N 0 0 348.399 3.408 10 5 EGBERN COCc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000161878898 285498754 /nfs/dbraw/zinc/49/87/54/285498754.db2.gz AVGVVGBZSGIEQO-HNNXBMFYSA-N 0 0 345.355 3.015 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000029172708 140795496 /nfs/dbraw/zinc/79/54/96/140795496.db2.gz UMFIFKWDHSXYCM-UHFFFAOYSA-N 0 0 345.355 3.475 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000338055842 141084051 /nfs/dbraw/zinc/08/40/51/141084051.db2.gz XUDHXJUACAUQOT-CQSZACIVSA-N 0 0 330.315 3.160 10 5 EGBERN C[C@@H](C(=O)NC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000344528161 141169123 /nfs/dbraw/zinc/16/91/23/141169123.db2.gz MVICYJXDQMHTHH-GFCCVEGCSA-N 0 0 338.379 3.039 10 5 EGBERN CC(C)[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000348037394 141235236 /nfs/dbraw/zinc/23/52/36/141235236.db2.gz AYMVZOBREABLFZ-GFCCVEGCSA-N 0 0 329.278 3.393 10 5 EGBERN Cc1c(CN[C@@H](c2nnc3ccccn32)C(C)C)cccc1[N+](=O)[O-] ZINC000352961337 141278059 /nfs/dbraw/zinc/27/80/59/141278059.db2.gz AXIDCQXVLDJZQI-QGZVFWFLSA-N 0 0 339.399 3.433 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC[C@H]1CCO ZINC000356858819 141356627 /nfs/dbraw/zinc/35/66/27/141356627.db2.gz LXODOWFTWAPNOR-LBPRGKRZSA-N 0 0 326.780 3.015 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000104458891 142587459 /nfs/dbraw/zinc/58/74/59/142587459.db2.gz ZQELCNGPETXCQP-UHFFFAOYSA-N 0 0 334.397 3.288 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000106600576 143936805 /nfs/dbraw/zinc/93/68/05/143936805.db2.gz IVRJPBDSDLSULY-LSDHHAIUSA-N 0 0 342.351 3.354 10 5 EGBERN Cc1c(Br)c(NCc2cscn2)ncc1[N+](=O)[O-] ZINC000165766388 143988512 /nfs/dbraw/zinc/98/85/12/143988512.db2.gz ZJNGXSLATRTGOO-UHFFFAOYSA-N 0 0 329.179 3.129 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000170993308 144000550 /nfs/dbraw/zinc/00/05/50/144000550.db2.gz SXEYRQRVGQDVSK-HUUCEWRRSA-N 0 0 347.758 3.028 10 5 EGBERN Cc1sc(C(=O)NCc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000174892917 144053948 /nfs/dbraw/zinc/05/39/48/144053948.db2.gz NNRODDCSYPESOC-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN Cc1ccc([C@@H](C)NCc2cc(-c3cnn(C)c3)no2)cc1[N+](=O)[O-] ZINC000185056253 144103907 /nfs/dbraw/zinc/10/39/07/144103907.db2.gz JRAQIUMDKWJCKO-GFCCVEGCSA-N 0 0 341.371 3.143 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(C)=O)s1 ZINC000185375919 144111699 /nfs/dbraw/zinc/11/16/99/144111699.db2.gz FIUSHNYZZAENLC-LBPRGKRZSA-N 0 0 347.396 3.461 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1Cc2ccccc2C2(CC2)C1 ZINC000187292408 144156621 /nfs/dbraw/zinc/15/66/21/144156621.db2.gz RPIAWTREMFATBQ-UHFFFAOYSA-N 0 0 348.362 3.159 10 5 EGBERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187547509 144160310 /nfs/dbraw/zinc/16/03/10/144160310.db2.gz QEUGPTNVQMQBBN-AWEZNQCLSA-N 0 0 347.758 3.230 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187787627 144164627 /nfs/dbraw/zinc/16/46/27/144164627.db2.gz WDJQPZGTXZAQGJ-HOTGVXAUSA-N 0 0 339.395 3.439 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C)ccc2C)n1 ZINC000343204041 144194168 /nfs/dbraw/zinc/19/41/68/144194168.db2.gz IFODILZMYYHKNV-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)sc2nccn12 ZINC000343214188 144195446 /nfs/dbraw/zinc/19/54/46/144195446.db2.gz SMEXFFAQGVYXTO-SECBINFHSA-N 0 0 330.369 3.103 10 5 EGBERN O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000345523835 144248037 /nfs/dbraw/zinc/24/80/37/144248037.db2.gz CAGKQWLPDIZJNF-UHFFFAOYSA-N 0 0 339.355 3.131 10 5 EGBERN CC(=O)CCC(C)(C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000351549144 144277586 /nfs/dbraw/zinc/27/75/86/144277586.db2.gz YJGGGJCTKNCFCB-UHFFFAOYSA-N 0 0 346.387 3.279 10 5 EGBERN COc1cc(Cn2cnc3cc(Cl)ccc3c2=O)ccc1[N+](=O)[O-] ZINC000351830163 144313120 /nfs/dbraw/zinc/31/31/20/144313120.db2.gz REINBEZJKNNOKT-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000351836057 144313700 /nfs/dbraw/zinc/31/37/00/144313700.db2.gz VHJIOYZQXGAZHO-GFCCVEGCSA-N 0 0 342.351 3.465 10 5 EGBERN Cc1cc(NC(=O)N2CCC(c3c[nH]cn3)CC2)ccc1[N+](=O)[O-] ZINC000363824622 144368903 /nfs/dbraw/zinc/36/89/03/144368903.db2.gz RBQZEFKBXHENPE-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])o1 ZINC000374155039 144529944 /nfs/dbraw/zinc/52/99/44/144529944.db2.gz BWUWTNITBMARGU-QMMMGPOBSA-N 0 0 343.122 3.358 10 5 EGBERN Cc1cc(C(=O)N2CCC(C)=C(c3ccco3)C2)c(N)c([N+](=O)[O-])c1 ZINC000374572415 144548754 /nfs/dbraw/zinc/54/87/54/144548754.db2.gz OMGBMWWPKHEUDH-UHFFFAOYSA-N 0 0 341.367 3.398 10 5 EGBERN C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1[N+](=O)[O-] ZINC000341283678 155229794 /nfs/dbraw/zinc/22/97/94/155229794.db2.gz KHEDMNMWEBEHMU-ZBEGNZNMSA-N 0 0 328.393 3.489 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC[C@H]1CC1CCC1 ZINC000341377228 155256516 /nfs/dbraw/zinc/25/65/16/155256516.db2.gz BXWBISJQNFPIMP-CQSZACIVSA-N 0 0 343.383 3.107 10 5 EGBERN COc1cc(N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])cc1F ZINC000268398420 286229973 /nfs/dbraw/zinc/22/99/73/286229973.db2.gz OVWPOQXVLYEGGS-AWEZNQCLSA-N 0 0 338.360 3.382 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3cc[nH]c32)c1 ZINC000341455051 155301622 /nfs/dbraw/zinc/30/16/22/155301622.db2.gz HDSWXSPNYCXUNI-UHFFFAOYSA-N 0 0 325.324 3.475 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(-n2cncn2)c1 ZINC000115316256 152006554 /nfs/dbraw/zinc/00/65/54/152006554.db2.gz YUYDKLIJXPVIKR-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CSc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000116236919 152050369 /nfs/dbraw/zinc/05/03/69/152050369.db2.gz HSFDYZPMHXCRIW-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116355690 152057362 /nfs/dbraw/zinc/05/73/62/152057362.db2.gz OAJOHLPPCHWNOD-ZDUSSCGKSA-N 0 0 336.369 3.022 10 5 EGBERN Cc1cccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1[N+](=O)[O-] ZINC000116822301 152077634 /nfs/dbraw/zinc/07/76/34/152077634.db2.gz FCOMNSUQBMRYTA-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000152077708 152477292 /nfs/dbraw/zinc/47/72/92/152477292.db2.gz YAWUSUHBWPZDQY-SECBINFHSA-N 0 0 332.278 3.003 10 5 EGBERN CC(C)c1nnc2n1CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000188445504 153016751 /nfs/dbraw/zinc/01/67/51/153016751.db2.gz MVDUMEOWGBEIKB-IZPAUZPXSA-N 0 0 341.415 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000189591643 153082300 /nfs/dbraw/zinc/08/23/00/153082300.db2.gz XVEPYZGMSQLQRB-OAHLLOKOSA-N 0 0 342.351 3.165 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000189963483 153108522 /nfs/dbraw/zinc/10/85/22/153108522.db2.gz ATNQWIXUZNGVCN-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000190346943 153133537 /nfs/dbraw/zinc/13/35/37/153133537.db2.gz PRZMHZPUCPFZJZ-GDBMZVCRSA-N 0 0 335.404 3.082 10 5 EGBERN CCOC1CC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000191113744 153177352 /nfs/dbraw/zinc/17/73/52/153177352.db2.gz KCKIKOIKYVSVOR-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000341611673 155382249 /nfs/dbraw/zinc/38/22/49/155382249.db2.gz LDGOYCLRCIKFAD-UHFFFAOYSA-N 0 0 341.367 3.361 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H]2c2ccco2)cc([N+](=O)[O-])c1C ZINC000191861262 153226160 /nfs/dbraw/zinc/22/61/60/153226160.db2.gz DPNXCQJNVDWPRY-CYBMUJFWSA-N 0 0 330.340 3.482 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000193473464 153292912 /nfs/dbraw/zinc/29/29/12/153292912.db2.gz POQQOOWFDDLMEX-LLVKDONJSA-N 0 0 334.326 3.146 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000193809535 153308042 /nfs/dbraw/zinc/30/80/42/153308042.db2.gz BDJYXIFAFHYLIU-CQSZACIVSA-N 0 0 339.395 3.257 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccn1)C1CC1 ZINC000195205898 153387325 /nfs/dbraw/zinc/38/73/25/153387325.db2.gz QDATUYXXAMBJGY-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000336870574 154224012 /nfs/dbraw/zinc/22/40/12/154224012.db2.gz ADBJPWRJUWTWTC-UHFFFAOYSA-N 0 0 334.759 3.425 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C(F)F ZINC000337292165 154263075 /nfs/dbraw/zinc/26/30/75/154263075.db2.gz OOKBECXETHDVEH-GFCCVEGCSA-N 0 0 332.734 3.437 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000337977646 154589126 /nfs/dbraw/zinc/58/91/26/154589126.db2.gz UUWKDRRXJOKPGK-NSHDSACASA-N 0 0 331.294 3.118 10 5 EGBERN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000340074614 155089219 /nfs/dbraw/zinc/08/92/19/155089219.db2.gz MKSLRCUFWWGEFB-CQSZACIVSA-N 0 0 347.371 3.018 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000345353419 156066101 /nfs/dbraw/zinc/06/61/01/156066101.db2.gz KMJWAWSTKQDXBY-CYBMUJFWSA-N 0 0 341.323 3.323 10 5 EGBERN Cc1c(CNC(=O)c2cc(-n3cccc3)ccn2)cccc1[N+](=O)[O-] ZINC000345376496 156075190 /nfs/dbraw/zinc/07/51/90/156075190.db2.gz UEIYMCMQXNAADF-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@H](NC(=O)Nc1cnc(CC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000346852044 156165332 /nfs/dbraw/zinc/16/53/32/156165332.db2.gz PKVFJNSWMSEXQS-NSHDSACASA-N 0 0 341.371 3.220 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cncn2C)no1 ZINC000346953841 156212343 /nfs/dbraw/zinc/21/23/43/156212343.db2.gz ZZXLBUWOEDKYHX-CYBMUJFWSA-N 0 0 341.371 3.038 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000347016589 156249175 /nfs/dbraw/zinc/24/91/75/156249175.db2.gz XHUZOAVPALEXTA-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN CO[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000354537591 156567982 /nfs/dbraw/zinc/56/79/82/156567982.db2.gz QHICLKZQWWRZJM-PXAZEXFGSA-N 0 0 344.367 3.174 10 5 EGBERN COC[C@@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000362200606 157071724 /nfs/dbraw/zinc/07/17/24/157071724.db2.gz DSDRWTPJXBMIDW-CYBMUJFWSA-N 0 0 346.261 3.038 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC12CCOCC2 ZINC000365594266 157184448 /nfs/dbraw/zinc/18/44/48/157184448.db2.gz MMCRVVMKRLGNPG-UHFFFAOYSA-N 0 0 332.381 3.205 10 5 EGBERN Cc1nc2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000067706499 161599040 /nfs/dbraw/zinc/59/90/40/161599040.db2.gz FKYDJMQAQPUHJU-UHFFFAOYSA-N 0 0 326.312 3.095 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000111092809 162143935 /nfs/dbraw/zinc/14/39/35/162143935.db2.gz YQPUYMUKOKEJKM-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Nc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000111105029 162145433 /nfs/dbraw/zinc/14/54/33/162145433.db2.gz IFNMCMVOUILHIF-CYBMUJFWSA-N 0 0 345.786 3.460 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114888 162161989 /nfs/dbraw/zinc/16/19/89/162161989.db2.gz PSIBEHOTHLLJJU-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114499973 162236612 /nfs/dbraw/zinc/23/66/12/162236612.db2.gz UTZHLJREVPAFEJ-INIZCTEOSA-N 0 0 336.413 3.106 10 5 EGBERN Cc1cccc2c(CCNC(=O)c3cc([N+](=O)[O-])cnc3C)c[nH]c21 ZINC000128834233 162336526 /nfs/dbraw/zinc/33/65/26/162336526.db2.gz NIKXPSIJXBLWOX-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129391567 162355897 /nfs/dbraw/zinc/35/58/97/162355897.db2.gz YVZMIUCFGFFRHT-XIRDDKMYSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000354310827 166001484 /nfs/dbraw/zinc/00/14/84/166001484.db2.gz GYTDZWYGVQCLFQ-LBPRGKRZSA-N 0 0 334.763 3.161 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CSC1(C)C ZINC000338496451 163246103 /nfs/dbraw/zinc/24/61/03/163246103.db2.gz KFFKRJUENJYPIU-UFBFGSQYSA-N 0 0 344.820 3.026 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccoc1 ZINC000338601834 163287738 /nfs/dbraw/zinc/28/77/38/163287738.db2.gz LBKAWXWHORVQHJ-UHFFFAOYSA-N 0 0 327.344 3.103 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(Cc3cccnc3)no2)ccc1OC(F)F ZINC000340649007 163634264 /nfs/dbraw/zinc/63/42/64/163634264.db2.gz CTFZIFHRDBFPOC-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000340778571 163666021 /nfs/dbraw/zinc/66/60/21/163666021.db2.gz JKUZCKPBAJCIIY-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2ccc3ncccc3c2)c1[N+](=O)[O-] ZINC000341931944 163740509 /nfs/dbraw/zinc/74/05/09/163740509.db2.gz SDUNATOFJMIVMV-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000342671418 163938352 /nfs/dbraw/zinc/93/83/52/163938352.db2.gz YTSPFADEPQFLEF-VQIMIIECSA-N 0 0 346.427 3.193 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000343055512 163958669 /nfs/dbraw/zinc/95/86/69/163958669.db2.gz UAWUTDWXTAWPMJ-GXTWGEPZSA-N 0 0 345.330 3.192 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccsc2C1 ZINC000343684595 164011886 /nfs/dbraw/zinc/01/18/86/164011886.db2.gz YJMKJFYGJMCNLV-UHFFFAOYSA-N 0 0 338.335 3.062 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000344131896 164110910 /nfs/dbraw/zinc/11/09/10/164110910.db2.gz LBXOBDHGORTOSE-UHFFFAOYSA-N 0 0 346.770 3.246 10 5 EGBERN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344260476 164140206 /nfs/dbraw/zinc/14/02/06/164140206.db2.gz LXWWDNCREJPGDO-ZDUSSCGKSA-N 0 0 342.330 3.491 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000344430389 164177368 /nfs/dbraw/zinc/17/73/68/164177368.db2.gz JZZIPZFUCGZLAW-UHFFFAOYSA-N 0 0 331.719 3.305 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cn1 ZINC000344435205 164178113 /nfs/dbraw/zinc/17/81/13/164178113.db2.gz OWPGXCRZQKXSCF-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN Nc1ccc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc1[N+](=O)[O-] ZINC000345658012 164236326 /nfs/dbraw/zinc/23/63/26/164236326.db2.gz DDJKJYVYMAXSOB-UHFFFAOYSA-N 0 0 328.250 3.112 10 5 EGBERN COc1cc(NCCSCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000354839331 166045408 /nfs/dbraw/zinc/04/54/08/166045408.db2.gz DUSKFZIWMGCGHW-UHFFFAOYSA-N 0 0 328.287 3.450 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3CCCc4ccccc43)no2)n1 ZINC000345847646 164278467 /nfs/dbraw/zinc/27/84/67/164278467.db2.gz JDWGTNZMMSWHME-ZDUSSCGKSA-N 0 0 339.355 3.329 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCCc4ccccc43)no2)n1 ZINC000345847643 164278500 /nfs/dbraw/zinc/27/85/00/164278500.db2.gz JDWGTNZMMSWHME-CYBMUJFWSA-N 0 0 339.355 3.329 10 5 EGBERN CCOc1ccc(-c2nc(Cc3ccccn3)no2)cc1[N+](=O)[O-] ZINC000346054184 164327259 /nfs/dbraw/zinc/32/72/59/164327259.db2.gz ROWCHRACLLFZQQ-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc(C(F)(F)F)cs1)CC2 ZINC000347776620 164574134 /nfs/dbraw/zinc/57/41/34/164574134.db2.gz ACEYTFNBPPNWAR-UHFFFAOYSA-N 0 0 344.318 3.023 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000347820611 164586127 /nfs/dbraw/zinc/58/61/27/164586127.db2.gz FBQRAGWANZECMH-KWQFWETISA-N 0 0 332.278 3.016 10 5 EGBERN CO[C@@](C)(c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1)C1CC1 ZINC000350424244 165047899 /nfs/dbraw/zinc/04/78/99/165047899.db2.gz VDIGIBXXOCQFGV-MRXNPFEDSA-N 0 0 328.328 3.398 10 5 EGBERN Cc1cn(-c2ccccc2)nc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000350975242 165088052 /nfs/dbraw/zinc/08/80/52/165088052.db2.gz GUGANFGQBQBMDI-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN COc1cc(COc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000351912727 165146697 /nfs/dbraw/zinc/14/66/97/165146697.db2.gz LDSGNRXWJNDXET-UHFFFAOYSA-N 0 0 342.351 3.075 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000352048499 165209560 /nfs/dbraw/zinc/20/95/60/165209560.db2.gz OUKUBRBKYGJKFZ-INIZCTEOSA-N 0 0 331.324 3.034 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000352048550 165209743 /nfs/dbraw/zinc/20/97/43/165209743.db2.gz PPHXMYAMZCBEST-INIZCTEOSA-N 0 0 349.314 3.173 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000352099742 165235235 /nfs/dbraw/zinc/23/52/35/165235235.db2.gz BHFYSNJRALGGTO-SNVBAGLBSA-N 0 0 344.323 3.283 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C(C)C ZINC000353871647 165909169 /nfs/dbraw/zinc/90/91/69/165909169.db2.gz ANMSYEZLMWZXLA-NSHDSACASA-N 0 0 326.418 3.202 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000355377913 166179970 /nfs/dbraw/zinc/17/99/70/166179970.db2.gz XWZJJHAAWYSHMF-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN CCNC(=O)N(C)c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000355465509 166210168 /nfs/dbraw/zinc/21/01/68/166210168.db2.gz BBGQRKNDHVEVHY-UHFFFAOYSA-N 0 0 328.372 3.373 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000355491104 166219684 /nfs/dbraw/zinc/21/96/84/166219684.db2.gz LRAQNFQMJKPZCH-WMLDXEAASA-N 0 0 342.399 3.250 10 5 EGBERN CSc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000355724458 166290560 /nfs/dbraw/zinc/29/05/60/166290560.db2.gz FXTQCGGZVQITJU-UHFFFAOYSA-N 0 0 335.360 3.089 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000355941953 166355260 /nfs/dbraw/zinc/35/52/60/166355260.db2.gz NSALOOQUPWAPAP-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1ccc(-c2noc(-c3cccc(-n4cncn4)c3)n2)cc1[N+](=O)[O-] ZINC000355990363 166368456 /nfs/dbraw/zinc/36/84/56/166368456.db2.gz XQEGAACMVVYQTH-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN COc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)ccc1F ZINC000356000373 166371487 /nfs/dbraw/zinc/37/14/87/166371487.db2.gz BNFMRJGGHPHVCY-UHFFFAOYSA-N 0 0 330.275 3.163 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCCc2cccnc21 ZINC000356023111 166377599 /nfs/dbraw/zinc/37/75/99/166377599.db2.gz STRIWNFNEJKPIW-CQSZACIVSA-N 0 0 342.399 3.258 10 5 EGBERN CNC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000356084133 166395202 /nfs/dbraw/zinc/39/52/02/166395202.db2.gz OFRKZDWCSRUDMI-UHFFFAOYSA-N 0 0 346.318 3.046 10 5 EGBERN C[C@H](F)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356674781 166481086 /nfs/dbraw/zinc/48/10/86/166481086.db2.gz FSRRVLHOMFWAGC-OLZOCXBDSA-N 0 0 337.395 3.309 10 5 EGBERN CSc1cccc(C(=O)N(C)Cc2cnccc2C)c1[N+](=O)[O-] ZINC000357828682 166785571 /nfs/dbraw/zinc/78/55/71/166785571.db2.gz AGPNNESDGLUHHQ-UHFFFAOYSA-N 0 0 331.397 3.292 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000358932663 167011508 /nfs/dbraw/zinc/01/15/08/167011508.db2.gz JBRCWUQWILWFLV-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358933472 167011638 /nfs/dbraw/zinc/01/16/38/167011638.db2.gz PDLREZSVNQMYBB-OAHLLOKOSA-N 0 0 349.431 3.205 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359129925 167075787 /nfs/dbraw/zinc/07/57/87/167075787.db2.gz MEOGDLJBYWNXQQ-UHFFFAOYSA-N 0 0 345.399 3.404 10 5 EGBERN CC(C)[C@@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC12CCC2 ZINC000359193539 167092536 /nfs/dbraw/zinc/09/25/36/167092536.db2.gz NMRVZICQEZYJLP-INIZCTEOSA-N 0 0 338.354 3.453 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359191737 167092580 /nfs/dbraw/zinc/09/25/80/167092580.db2.gz FWEPONVBVMISKE-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1c(CNC(=O)NC[C@]2(O)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000359547882 167188137 /nfs/dbraw/zinc/18/81/37/167188137.db2.gz PYSUDDKXIDELIO-SFHVURJKSA-N 0 0 349.431 3.034 10 5 EGBERN COc1ccc(NC(=O)CN2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561193 167194245 /nfs/dbraw/zinc/19/42/45/167194245.db2.gz QVANPTBQJIEHDI-SCLBCKFNSA-N 0 0 347.415 3.054 10 5 EGBERN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000360202043 167269589 /nfs/dbraw/zinc/26/95/89/167269589.db2.gz DVYIXZDPRPNDIJ-RCQQVGEISA-N 0 0 341.415 3.277 10 5 EGBERN Cc1ccc(CN(CCO)c2ccc([N+](=O)[O-])c3cnccc32)o1 ZINC000360258056 167283938 /nfs/dbraw/zinc/28/39/38/167283938.db2.gz NSDPUDKDBHQMIG-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000360458133 167333979 /nfs/dbraw/zinc/33/39/79/167333979.db2.gz GAHHJLPFZCOHJT-HOTGVXAUSA-N 0 0 346.408 3.046 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3oc(N(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000360638973 167375945 /nfs/dbraw/zinc/37/59/45/167375945.db2.gz ZRBNOBLBBSNIRS-UHFFFAOYSA-N 0 0 346.368 3.424 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000360643899 167377276 /nfs/dbraw/zinc/37/72/76/167377276.db2.gz UWZRHWUCHXHZBF-ZDUSSCGKSA-N 0 0 331.397 3.096 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000360683084 167386935 /nfs/dbraw/zinc/38/69/35/167386935.db2.gz XMNAXQOFLWJNBS-DIFFPNOSSA-N 0 0 347.371 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCCc4sccc43)n2)nc1 ZINC000364707370 167977128 /nfs/dbraw/zinc/97/71/28/167977128.db2.gz DATQENKBFJZVHN-ZDUSSCGKSA-N 0 0 342.380 3.493 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000365970044 168065837 /nfs/dbraw/zinc/06/58/37/168065837.db2.gz OMZQINQQSZNWLA-MSOLQXFVSA-N 0 0 340.379 3.174 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366139979 168087273 /nfs/dbraw/zinc/08/72/73/168087273.db2.gz FOXZQONXJJSKKP-IOASZLSFSA-N 0 0 325.368 3.397 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2cc(OC(F)F)ccc21 ZINC000366198734 168093255 /nfs/dbraw/zinc/09/32/55/168093255.db2.gz FHGSOVHMNLPBIC-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000366821955 168144801 /nfs/dbraw/zinc/14/48/01/168144801.db2.gz FMFNZJHWTAUYGT-ZWKOTPCHSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000367134844 168182894 /nfs/dbraw/zinc/18/28/94/168182894.db2.gz CTPFQSXDPOFDSG-LLVKDONJSA-N 0 0 343.314 3.107 10 5 EGBERN CC(=O)c1cc(N2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000367360106 168213906 /nfs/dbraw/zinc/21/39/06/168213906.db2.gz AYVLDLDXCITART-SFHVURJKSA-N 0 0 342.351 3.081 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000367569159 168243477 /nfs/dbraw/zinc/24/34/77/168243477.db2.gz FVPLXMLIBJNNCU-SUMWQHHRSA-N 0 0 344.342 3.242 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000367935529 168286092 /nfs/dbraw/zinc/28/60/92/168286092.db2.gz PGPYNVBORDGBOS-UHFFFAOYSA-N 0 0 346.770 3.159 10 5 EGBERN Cc1c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368064412 168306226 /nfs/dbraw/zinc/30/62/26/168306226.db2.gz TXOZNLWCFOQYBH-GTNSWQLSSA-N 0 0 347.371 3.464 10 5 EGBERN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(C)o1 ZINC000124227802 222394732 /nfs/dbraw/zinc/39/47/32/222394732.db2.gz IZSNFAQUMKTFCD-JTQLQIEISA-N 0 0 338.385 3.381 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174469838 265052430 /nfs/dbraw/zinc/05/24/30/265052430.db2.gz ONBMEDBTZNEVDP-SFHVURJKSA-N 0 0 349.431 3.086 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000174681615 265064502 /nfs/dbraw/zinc/06/45/02/265064502.db2.gz UOBVMBLYDQJZLP-NSHDSACASA-N 0 0 334.397 3.470 10 5 EGBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1cccc(F)c1 ZINC000177358925 265249246 /nfs/dbraw/zinc/24/92/46/265249246.db2.gz JGGIEPXUPYZNLH-CQSZACIVSA-N 0 0 347.346 3.025 10 5 EGBERN CC[C@H](NC(=O)c1cnc2n[nH]c(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177792268 265279124 /nfs/dbraw/zinc/27/91/24/265279124.db2.gz SIVMGOZHNCKGTR-HNNXBMFYSA-N 0 0 339.355 3.056 10 5 EGBERN CC[C@@H](NC(=O)c1cn(CCC(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000177789046 265279195 /nfs/dbraw/zinc/27/91/95/265279195.db2.gz VWWWAXWUERXUPL-OAHLLOKOSA-N 0 0 345.403 3.114 10 5 EGBERN CN([C@H]1CCc2ccccc21)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178625192 265330952 /nfs/dbraw/zinc/33/09/52/265330952.db2.gz RITVHRTUAOHFSI-KRWDZBQOSA-N 0 0 346.408 3.044 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175539 265397118 /nfs/dbraw/zinc/39/71/18/265397118.db2.gz FDOQRLDEEQDNMO-CZUORRHYSA-N 0 0 345.424 3.140 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000193474494 266036155 /nfs/dbraw/zinc/03/61/55/266036155.db2.gz OOCDXXUKIDPLIT-UHFFFAOYSA-N 0 0 331.353 3.185 10 5 EGBERN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000193637034 266050152 /nfs/dbraw/zinc/05/01/52/266050152.db2.gz GEEMVFXSTMBNSL-LBPRGKRZSA-N 0 0 347.371 3.184 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194309232 266106305 /nfs/dbraw/zinc/10/63/05/266106305.db2.gz UNZRDUSKEICKCK-CYBMUJFWSA-N 0 0 336.388 3.025 10 5 EGBERN CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000194373557 266111667 /nfs/dbraw/zinc/11/16/67/266111667.db2.gz OLMGCWMZJXOSDV-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1cccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000194465830 266119000 /nfs/dbraw/zinc/11/90/00/266119000.db2.gz LVYNOEJODWEENL-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN COc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1[N+](=O)[O-] ZINC000194519103 266124501 /nfs/dbraw/zinc/12/45/01/266124501.db2.gz ZCMMNMBAMKVLIN-GFCCVEGCSA-N 0 0 347.396 3.427 10 5 EGBERN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000269394910 266286348 /nfs/dbraw/zinc/28/63/48/266286348.db2.gz MRDWUNOHTVXEOB-NSHDSACASA-N 0 0 331.376 3.060 10 5 EGBERN Cc1c(-c2nc([C@@H](C)C3CC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000273848820 267123658 /nfs/dbraw/zinc/12/36/58/267123658.db2.gz CAMLPHHWIINSSR-VIFPVBQESA-N 0 0 340.343 3.047 10 5 EGBERN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274172613 267193514 /nfs/dbraw/zinc/19/35/14/267193514.db2.gz ISTHEKWOHVPGIW-CZUORRHYSA-N 0 0 342.399 3.018 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000277399653 267781957 /nfs/dbraw/zinc/78/19/57/267781957.db2.gz JSRBCSDMOHTESO-SNVBAGLBSA-N 0 0 346.305 3.326 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000277416010 267786956 /nfs/dbraw/zinc/78/69/56/267786956.db2.gz IEZRKKCCYMCHHO-SNVBAGLBSA-N 0 0 330.344 3.023 10 5 EGBERN Cn1cc([C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000278184850 267957919 /nfs/dbraw/zinc/95/79/19/267957919.db2.gz LUNGADYQPNOCOV-GFCCVEGCSA-N 0 0 348.712 3.375 10 5 EGBERN Cc1cc(C)c(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(=O)[nH]1 ZINC000278409885 268006911 /nfs/dbraw/zinc/00/69/11/268006911.db2.gz NPVMBYNSQGKOGP-UHFFFAOYSA-N 0 0 342.277 3.338 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1cc[nH]n1 ZINC000278465308 268018663 /nfs/dbraw/zinc/01/86/63/268018663.db2.gz BRXXSVJOGKTHJG-LLVKDONJSA-N 0 0 337.177 3.422 10 5 EGBERN Cc1cc(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)c1O ZINC000192626834 275224694 /nfs/dbraw/zinc/22/46/94/275224694.db2.gz SLWBNCBSMVOERA-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN COCCc1cccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000278746544 275271090 /nfs/dbraw/zinc/27/10/90/275271090.db2.gz PGVCJMHRYRAWMS-UHFFFAOYSA-N 0 0 345.351 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279255329 275316712 /nfs/dbraw/zinc/31/67/12/275316712.db2.gz RITDLGVEEKBVMO-GWCFXTLKSA-N 0 0 347.289 3.418 10 5 EGBERN Cc1c(NC(=O)N(C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280632419 275474440 /nfs/dbraw/zinc/47/44/40/275474440.db2.gz AIRWBSUXOLMUNE-UHFFFAOYSA-N 0 0 328.166 3.292 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000021092401 275476383 /nfs/dbraw/zinc/47/63/83/275476383.db2.gz HYQTUEQYCYTXOW-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281171687 275527566 /nfs/dbraw/zinc/52/75/66/275527566.db2.gz XWJRUTARGBVKQT-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281486584 275552800 /nfs/dbraw/zinc/55/28/00/275552800.db2.gz WYDWMHLPQGVJMQ-HNNXBMFYSA-N 0 0 329.360 3.087 10 5 EGBERN Cc1cc(C(=O)N2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000282419901 275632361 /nfs/dbraw/zinc/63/23/61/275632361.db2.gz YFHHGYHDINPCMI-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN Cc1cnc([C@@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)s1 ZINC000286515511 276010631 /nfs/dbraw/zinc/01/06/31/276010631.db2.gz BMMNCOKKJXLPRV-QMMMGPOBSA-N 0 0 345.384 3.224 10 5 EGBERN COC(=O)c1cc(C)nc(NCCCCCSC)c1[N+](=O)[O-] ZINC000286798531 276044425 /nfs/dbraw/zinc/04/44/25/276044425.db2.gz KFMLBSTYBCDXTQ-UHFFFAOYSA-N 0 0 327.406 3.030 10 5 EGBERN CC1(C)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120703333 276105760 /nfs/dbraw/zinc/10/57/60/276105760.db2.gz SPDAEYBGKOJSEX-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000287416377 276117676 /nfs/dbraw/zinc/11/76/76/276117676.db2.gz TWQLKJOAKMBEOW-APPDUMDISA-N 0 0 331.347 3.283 10 5 EGBERN CC1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[S@@]1=O ZINC000126871746 276135175 /nfs/dbraw/zinc/13/51/75/276135175.db2.gz ZWSYMCPVYJZODL-FQEVSTJZSA-N 0 0 337.228 3.249 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](CC(F)(F)F)C2)s1 ZINC000287750308 276153588 /nfs/dbraw/zinc/15/35/88/276153588.db2.gz MPWDHUDWRFIAQX-ZETCQYMHSA-N 0 0 332.307 3.378 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2c3ccccc3O[C@@H]2C)c1[N+](=O)[O-] ZINC000289120816 276293478 /nfs/dbraw/zinc/29/34/78/276293478.db2.gz QTPWACWIQNEURS-QMTHXVAHSA-N 0 0 343.339 3.019 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@H]1C ZINC000289578175 276360646 /nfs/dbraw/zinc/36/06/46/276360646.db2.gz HGXOWNIRWZUSMP-BXKDBHETSA-N 0 0 327.768 3.137 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000289682003 276377452 /nfs/dbraw/zinc/37/74/52/276377452.db2.gz FYBIXDRJAGMLTN-PXAZEXFGSA-N 0 0 343.383 3.401 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@@H]1CC(F)F ZINC000289713643 276382271 /nfs/dbraw/zinc/38/22/71/276382271.db2.gz PBFZAZURMQYAFG-QMMMGPOBSA-N 0 0 349.721 3.136 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)CCC(=O)N2CC ZINC000289747311 276387373 /nfs/dbraw/zinc/38/73/73/276387373.db2.gz UKWOIZGLGPKKRN-UHFFFAOYSA-N 0 0 343.387 3.162 10 5 EGBERN CC(C)C[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C(=O)N1C ZINC000292071479 276729467 /nfs/dbraw/zinc/72/94/67/276729467.db2.gz LEBWYFHHFDVEBR-LBPRGKRZSA-N 0 0 325.752 3.061 10 5 EGBERN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021090576 277021015 /nfs/dbraw/zinc/02/10/15/277021015.db2.gz NWGZMTDXHSBGGH-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000074017545 277084874 /nfs/dbraw/zinc/08/48/74/277084874.db2.gz NCCLLWDZLSWMNI-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000167698033 277111005 /nfs/dbraw/zinc/11/10/05/277111005.db2.gz VCLCWLJYWVZVTD-AWEZNQCLSA-N 0 0 348.399 3.356 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC000366825505 277114201 /nfs/dbraw/zinc/11/42/01/277114201.db2.gz GZBIICANZFWLNS-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000120533446 277394851 /nfs/dbraw/zinc/39/48/51/277394851.db2.gz YRIVUOGAQDOFHY-ZDUSSCGKSA-N 0 0 344.342 3.401 10 5 EGBERN C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341254705 278321067 /nfs/dbraw/zinc/32/10/67/278321067.db2.gz DXBPAKFDGJTRPT-CYBMUJFWSA-N 0 0 326.352 3.435 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000350895470 278665470 /nfs/dbraw/zinc/66/54/70/278665470.db2.gz HBZXJRHZNJFOQR-GOSISDBHSA-N 0 0 325.368 3.242 10 5 EGBERN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000376003823 278798805 /nfs/dbraw/zinc/79/88/05/278798805.db2.gz OTIUHTBVUGXQSW-UVWXRNBGSA-N 0 0 342.342 3.036 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000348000004 280033839 /nfs/dbraw/zinc/03/38/39/280033839.db2.gz SHHPKOXALYAECL-MGPLVRAMSA-N 0 0 336.351 3.134 10 5 EGBERN O=C(O[C@@H]1CCCCC1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005659590 280073900 /nfs/dbraw/zinc/07/39/00/280073900.db2.gz DUHNFYVXDLLIBD-QGZVFWFLSA-N 0 0 346.383 3.254 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(cccc2F)n1C ZINC000344442975 280659399 /nfs/dbraw/zinc/65/93/99/280659399.db2.gz XACLOVUHCIESDG-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])no1 ZINC000153659642 280668057 /nfs/dbraw/zinc/66/80/57/280668057.db2.gz FDUOQPQHGRYKAK-JTQLQIEISA-N 0 0 337.767 3.491 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000130110502 281259852 /nfs/dbraw/zinc/25/98/52/281259852.db2.gz GPQUPKWYXASWQN-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185773743 281363072 /nfs/dbraw/zinc/36/30/72/281363072.db2.gz SMHZCJBRHIAUKI-PWSUYJOCSA-N 0 0 332.360 3.087 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](c4ccsc4)C3)c21 ZINC000347407078 304807235 /nfs/dbraw/zinc/80/72/35/304807235.db2.gz KOGRCODVSIAGHU-AWEZNQCLSA-N 0 0 342.380 3.177 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc([C@@H]3CCC(=O)N3)c2)n1 ZINC000413562030 309037487 /nfs/dbraw/zinc/03/74/87/309037487.db2.gz ORIXLJQZURUPNK-AWEZNQCLSA-N 0 0 326.356 3.301 10 5 EGBERN Nc1c(F)c(N[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000413602849 309039176 /nfs/dbraw/zinc/03/91/76/309039176.db2.gz KBYJCUNPXORXLS-LLVKDONJSA-N 0 0 334.326 3.146 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071051301 307377915 /nfs/dbraw/zinc/37/79/15/307377915.db2.gz DCVFTHFOJSVFHV-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN COC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117558994 307486002 /nfs/dbraw/zinc/48/60/02/307486002.db2.gz CWUWRCSWZAEVKZ-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000413978562 309055134 /nfs/dbraw/zinc/05/51/34/309055134.db2.gz PTKLTVDYWGGGQR-SMDDNHRTSA-N 0 0 328.796 3.082 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000413984179 309055266 /nfs/dbraw/zinc/05/52/66/309055266.db2.gz LGLKJDLKWHTJMO-VWYCJHECSA-N 0 0 326.780 3.100 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000413984175 309055271 /nfs/dbraw/zinc/05/52/71/309055271.db2.gz LGLKJDLKWHTJMO-DCAQKATOSA-N 0 0 326.780 3.100 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000413982818 309055316 /nfs/dbraw/zinc/05/53/16/309055316.db2.gz KPYGIDHFBWBDOH-SECBINFHSA-N 0 0 334.294 3.312 10 5 EGBERN CCOc1ccc(C(=O)NCc2c(CC)noc2CC)cc1[N+](=O)[O-] ZINC000122871197 307533587 /nfs/dbraw/zinc/53/35/87/307533587.db2.gz XYFFZUOZGBEFSK-UHFFFAOYSA-N 0 0 347.371 3.036 10 5 EGBERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000128819028 307606111 /nfs/dbraw/zinc/60/61/11/307606111.db2.gz ANJGRODHUSEDQN-CQSZACIVSA-N 0 0 338.285 3.498 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000151940267 307742201 /nfs/dbraw/zinc/74/22/01/307742201.db2.gz UIYQVPRPDZCPIG-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN COCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000152192861 307747551 /nfs/dbraw/zinc/74/75/51/307747551.db2.gz GQQOUYMUCKGWQP-UHFFFAOYSA-N 0 0 330.340 3.139 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000153620188 307777014 /nfs/dbraw/zinc/77/70/14/307777014.db2.gz TWSPGIHWNDRMJX-UHFFFAOYSA-N 0 0 345.742 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000154340855 307792427 /nfs/dbraw/zinc/79/24/27/307792427.db2.gz ZPAAWUMMPFDHKY-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN CCc1cnccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000155084565 307807227 /nfs/dbraw/zinc/80/72/27/307807227.db2.gz PWCOBFYFPZQJLD-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157647660 307848829 /nfs/dbraw/zinc/84/88/29/307848829.db2.gz RCPSWFVNIURRAH-INIZCTEOSA-N 0 0 329.331 3.245 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000160220297 307886455 /nfs/dbraw/zinc/88/64/55/307886455.db2.gz YLPZHKLLYMPAEC-UHFFFAOYSA-N 0 0 329.400 3.425 10 5 EGBERN COC[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170743489 307935047 /nfs/dbraw/zinc/93/50/47/307935047.db2.gz JVOUSHHNMVVZDF-GUYCJALGSA-N 0 0 343.383 3.343 10 5 EGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245515899 307951534 /nfs/dbraw/zinc/95/15/34/307951534.db2.gz FCDVZMFFTCULGT-NTZNESFSSA-N 0 0 332.356 3.117 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000255473039 308051286 /nfs/dbraw/zinc/05/12/86/308051286.db2.gz AADSWXWPPDSLMM-CXOKCQFOSA-N 0 0 326.356 3.085 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1nccs1)C(F)(F)F ZINC000293058865 308095188 /nfs/dbraw/zinc/09/51/88/308095188.db2.gz UPPIHWAICOGBKV-NSHDSACASA-N 0 0 347.318 3.323 10 5 EGBERN CC(C)(C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000293750669 308158845 /nfs/dbraw/zinc/15/88/45/308158845.db2.gz WGKUSKKNWPMTQA-CJNGLKHVSA-N 0 0 338.354 3.376 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(C2CCC2)cn1 ZINC000294061118 308186674 /nfs/dbraw/zinc/18/66/74/308186674.db2.gz HHXVPHMNJUIAKE-UHFFFAOYSA-N 0 0 345.330 3.414 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCO[C@@H](C(C)C)C1 ZINC000294388238 308216668 /nfs/dbraw/zinc/21/66/68/308216668.db2.gz LVECHFPOPZXXKZ-CQSZACIVSA-N 0 0 340.807 3.444 10 5 EGBERN CC(C)(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000294414158 308218904 /nfs/dbraw/zinc/21/89/04/308218904.db2.gz NHYGUJGVXMNCHN-UHFFFAOYSA-N 0 0 331.294 3.240 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccccc1CN1CCOCC1 ZINC000294899383 308269264 /nfs/dbraw/zinc/26/92/64/308269264.db2.gz YZXBGKWUOXKSHI-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN CC(=O)c1cccc(NC(=O)[C@H](C(C)C)n2cc([N+](=O)[O-])c(C)n2)c1 ZINC000295136937 308296053 /nfs/dbraw/zinc/29/60/53/308296053.db2.gz DEFUZIWZVKPYCC-INIZCTEOSA-N 0 0 344.371 3.138 10 5 EGBERN C[C@@]1(F)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295549907 308337905 /nfs/dbraw/zinc/33/79/05/308337905.db2.gz WYVYHHHAKZTMOV-CQSZACIVSA-N 0 0 329.759 3.011 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296274339 308410807 /nfs/dbraw/zinc/41/08/07/308410807.db2.gz MKWZFKABLXPSBU-PWSUYJOCSA-N 0 0 345.321 3.467 10 5 EGBERN COC(=O)Cc1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000296554209 308440104 /nfs/dbraw/zinc/44/01/04/308440104.db2.gz OZKNLXRMHSZTCU-NSHDSACASA-N 0 0 346.305 3.089 10 5 EGBERN Cc1cnc(COC(=O)c2csc(Cl)n2)c(C)c1[N+](=O)[O-] ZINC000298071907 308582902 /nfs/dbraw/zinc/58/29/02/308582902.db2.gz SESQIKAPDAAYCB-UHFFFAOYSA-N 0 0 327.749 3.074 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H](O)C1CCCC1 ZINC000301279112 308694743 /nfs/dbraw/zinc/69/47/43/308694743.db2.gz JSLSUOBWWLRADJ-ZDUSSCGKSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1nc(NCc2ccc(N3CCCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000301670044 308710079 /nfs/dbraw/zinc/71/00/79/308710079.db2.gz YNXQBIVLMYKOJM-UHFFFAOYSA-N 0 0 340.383 3.427 10 5 EGBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(OC(F)F)c1 ZINC000301917680 308721572 /nfs/dbraw/zinc/72/15/72/308721572.db2.gz JKDZGMVRGYAEIB-VIFPVBQESA-N 0 0 349.297 3.412 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301957082 308722970 /nfs/dbraw/zinc/72/29/70/308722970.db2.gz LDNAJEDKRPDUMO-PWSUYJOCSA-N 0 0 345.321 3.460 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[C@]34CCCc3ccccc34)nn21 ZINC000301968210 308723436 /nfs/dbraw/zinc/72/34/36/308723436.db2.gz PHGFWKPAKYYSGY-AUUYWEPGSA-N 0 0 349.394 3.344 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000302208672 308733447 /nfs/dbraw/zinc/73/34/47/308733447.db2.gz XVCLCPCBLMTVMO-LSDHHAIUSA-N 0 0 334.372 3.141 10 5 EGBERN Cc1cc(C(C)C)nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000302242773 308734794 /nfs/dbraw/zinc/73/47/94/308734794.db2.gz JHGRKOXNHJSQRL-UHFFFAOYSA-N 0 0 341.415 3.143 10 5 EGBERN C[C@@](O)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCCC1 ZINC000302727578 308743359 /nfs/dbraw/zinc/74/33/59/308743359.db2.gz PWVBSGKJECCPSI-GOSISDBHSA-N 0 0 347.415 3.223 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N(CCO)Cc1cccc(Cl)c1 ZINC000302756179 308744441 /nfs/dbraw/zinc/74/44/41/308744441.db2.gz WTTRAIVXOADNQQ-UHFFFAOYSA-N 0 0 342.182 3.296 10 5 EGBERN Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000302859006 308748271 /nfs/dbraw/zinc/74/82/71/308748271.db2.gz NTBLWEMKIBTAII-UHFFFAOYSA-N 0 0 325.317 3.238 10 5 EGBERN CC[C@H](CC(F)F)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000410763261 308920888 /nfs/dbraw/zinc/92/08/88/308920888.db2.gz QYXQWPILHXQANX-SECBINFHSA-N 0 0 344.314 3.310 10 5 EGBERN CC(C)Oc1cc(C(=O)NCCc2ccsc2)ccc1[N+](=O)[O-] ZINC000411369713 308935895 /nfs/dbraw/zinc/93/58/95/308935895.db2.gz METNBPLZMDQROU-UHFFFAOYSA-N 0 0 334.397 3.416 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411764442 308951846 /nfs/dbraw/zinc/95/18/46/308951846.db2.gz YAAGXTCIFSCUED-LSDHHAIUSA-N 0 0 328.372 3.190 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000412218413 308975421 /nfs/dbraw/zinc/97/54/21/308975421.db2.gz RZLHNLKDTGUEGN-HUUCEWRRSA-N 0 0 348.399 3.023 10 5 EGBERN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413110989 309016718 /nfs/dbraw/zinc/01/67/18/309016718.db2.gz SXZCJLXSWOGYRH-CRAIPNDOSA-N 0 0 326.327 3.369 10 5 EGBERN Cn1c(CNc2nccc3ccc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000413240149 309023114 /nfs/dbraw/zinc/02/31/14/309023114.db2.gz UOGPFYIEEMAIMV-UHFFFAOYSA-N 0 0 338.371 3.151 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000413290060 309025389 /nfs/dbraw/zinc/02/53/89/309025389.db2.gz ZJOXYPLYVQMNFA-LBPRGKRZSA-N 0 0 345.378 3.046 10 5 EGBERN CCc1noc(C)c1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413292125 309025405 /nfs/dbraw/zinc/02/54/05/309025405.db2.gz FTBBEAIIIBPAIA-UHFFFAOYSA-N 0 0 330.266 3.480 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000413412349 309031013 /nfs/dbraw/zinc/03/10/13/309031013.db2.gz FMLJHUUGTFYBRF-HUUCEWRRSA-N 0 0 337.383 3.410 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000415293970 309130202 /nfs/dbraw/zinc/13/02/02/309130202.db2.gz JWUBIAUZVQHZQD-SNVBAGLBSA-N 0 0 331.397 3.339 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000417152746 309195230 /nfs/dbraw/zinc/19/52/30/309195230.db2.gz NSDOPWPHHYNWMO-INIZCTEOSA-N 0 0 333.388 3.190 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@]12CCOC2 ZINC000421084354 309312349 /nfs/dbraw/zinc/31/23/49/309312349.db2.gz GKFCCPUWFWABDF-CYBMUJFWSA-N 0 0 345.277 3.010 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@]12CCOC2 ZINC000421084355 309312418 /nfs/dbraw/zinc/31/24/18/309312418.db2.gz GKFCCPUWFWABDF-ZDUSSCGKSA-N 0 0 345.277 3.010 10 5 EGBERN C[C@H](C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccnn1C ZINC000421457638 309325344 /nfs/dbraw/zinc/32/53/44/309325344.db2.gz JZUXQXZCGWWEGV-ZDUSSCGKSA-N 0 0 342.399 3.408 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421908961 309346072 /nfs/dbraw/zinc/34/60/72/309346072.db2.gz GCEPDGPPTTURMB-LLVKDONJSA-N 0 0 345.424 3.339 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@H](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422194464 309357528 /nfs/dbraw/zinc/35/75/28/309357528.db2.gz YVWMLLHRJOOZDD-WMLDXEAASA-N 0 0 349.431 3.240 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000422228736 309358538 /nfs/dbraw/zinc/35/85/38/309358538.db2.gz ATGSBYOBPXXZPE-CHWSQXEVSA-N 0 0 335.404 3.087 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000422242850 309359016 /nfs/dbraw/zinc/35/90/16/309359016.db2.gz VMSGSJVNALFSST-ZFWWWQNUSA-N 0 0 335.404 3.087 10 5 EGBERN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424985537 309461031 /nfs/dbraw/zinc/46/10/31/309461031.db2.gz MBDJQADDRNONJC-AHIWAGSCSA-N 0 0 343.427 3.359 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000425147043 309467646 /nfs/dbraw/zinc/46/76/46/309467646.db2.gz WQUYOFBOJFEUII-DMRZNYOFSA-N 0 0 343.427 3.359 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[C@H](F)C1 ZINC000425410567 309478605 /nfs/dbraw/zinc/47/86/05/309478605.db2.gz CKPYIYZRQPJTLS-MNOVXSKESA-N 0 0 338.335 3.223 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000426870538 309518868 /nfs/dbraw/zinc/51/88/68/309518868.db2.gz DFWDTLSDRDJKNP-MRXNPFEDSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000429219451 309574092 /nfs/dbraw/zinc/57/40/92/309574092.db2.gz XZGSWOWMWAHVGX-GFCCVEGCSA-N 0 0 335.385 3.128 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430038388 309595321 /nfs/dbraw/zinc/59/53/21/309595321.db2.gz XNKMBMGIVGRTHJ-SECBINFHSA-N 0 0 344.820 3.143 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1O ZINC000432133647 309652969 /nfs/dbraw/zinc/65/29/69/309652969.db2.gz OIHBYTVZLUKXRY-CZUORRHYSA-N 0 0 329.400 3.376 10 5 EGBERN CCN(CC)C(=O)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432343302 309658062 /nfs/dbraw/zinc/65/80/62/309658062.db2.gz UKCDXIXLWQYAKH-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000432640859 309665366 /nfs/dbraw/zinc/66/53/66/309665366.db2.gz GZNHAOPPXLXAQT-UHFFFAOYSA-N 0 0 345.380 3.494 10 5 EGBERN CCOC(=O)CC1(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000432896851 309672464 /nfs/dbraw/zinc/67/24/64/309672464.db2.gz AYINAOPAHBRZJX-UHFFFAOYSA-N 0 0 349.387 3.291 10 5 EGBERN COc1ccc(CNC(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000433610389 309692561 /nfs/dbraw/zinc/69/25/61/309692561.db2.gz QHIVKBQYWKWBJS-UHFFFAOYSA-N 0 0 340.339 3.406 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000433725975 309694547 /nfs/dbraw/zinc/69/45/47/309694547.db2.gz DPVMMARORFEGGZ-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)=C[C@H](C)C2)cc1OC ZINC000435266230 309728247 /nfs/dbraw/zinc/72/82/47/309728247.db2.gz FXMRIBBRQRLSPM-NSHDSACASA-N 0 0 334.372 3.040 10 5 EGBERN CCOc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000435271150 309728360 /nfs/dbraw/zinc/72/83/60/309728360.db2.gz WQNRWOCUWHVNPX-LLVKDONJSA-N 0 0 334.372 3.040 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000435270380 309728370 /nfs/dbraw/zinc/72/83/70/309728370.db2.gz UYPYJAHROMCBCX-SECBINFHSA-N 0 0 326.299 3.234 10 5 EGBERN O=C(CSc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000436046592 309745615 /nfs/dbraw/zinc/74/56/15/309745615.db2.gz GUFBEOGJEFHLMK-UHFFFAOYSA-N 0 0 349.315 3.440 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000437271228 309789497 /nfs/dbraw/zinc/78/94/97/309789497.db2.gz GKGHYIAQZKDRPA-LSDHHAIUSA-N 0 0 336.351 3.065 10 5 EGBERN CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000437703360 309797704 /nfs/dbraw/zinc/79/77/04/309797704.db2.gz PGZTWYDUTYGGJF-CYBMUJFWSA-N 0 0 332.447 3.247 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000437905800 309802916 /nfs/dbraw/zinc/80/29/16/309802916.db2.gz BEGGRHJORXJBAE-INIZCTEOSA-N 0 0 339.367 3.187 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000442419408 309881532 /nfs/dbraw/zinc/88/15/32/309881532.db2.gz NDJGRMIONLBORX-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774659 309907910 /nfs/dbraw/zinc/90/79/10/309907910.db2.gz JUJSDADHGFDGEP-JKSUJKDBSA-N 0 0 340.445 3.229 10 5 EGBERN CC(C)C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000445179751 309937321 /nfs/dbraw/zinc/93/73/21/309937321.db2.gz JJUSQHMXIBUARS-NSHDSACASA-N 0 0 335.385 3.274 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(OC(F)F)cc3)nc2c1 ZINC000447686344 309985658 /nfs/dbraw/zinc/98/56/58/309985658.db2.gz QAGGMMYADGCIER-UHFFFAOYSA-N 0 0 334.282 3.107 10 5 EGBERN Cc1cc(C(=O)Nc2cc(C3(C)CCCC3)on2)cc([N+](=O)[O-])c1 ZINC000448414990 310003772 /nfs/dbraw/zinc/00/37/72/310003772.db2.gz PBAXAFNBILWULA-UHFFFAOYSA-N 0 0 329.356 3.397 10 5 EGBERN Cc1cc(C(=O)Nc2cc(C3(C)CCCC3)on2)ccc1[N+](=O)[O-] ZINC000448416121 310003846 /nfs/dbraw/zinc/00/38/46/310003846.db2.gz UINFPBVEFKBRNQ-UHFFFAOYSA-N 0 0 329.356 3.397 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(-c3ccccc3F)on2)cc1[N+](=O)[O-] ZINC000448490008 310004670 /nfs/dbraw/zinc/00/46/70/310004670.db2.gz LPDLYHOVSPZIGA-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2O1 ZINC000449503557 310067569 /nfs/dbraw/zinc/06/75/69/310067569.db2.gz UHKWSOPFFNGKPV-LBPRGKRZSA-N 0 0 326.352 3.190 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449904687 310093402 /nfs/dbraw/zinc/09/34/02/310093402.db2.gz XIWGVXCELCJFHB-LBPRGKRZSA-N 0 0 328.372 3.390 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000450393373 310119826 /nfs/dbraw/zinc/11/98/26/310119826.db2.gz QVXCYDSFWKKZOW-HUUCEWRRSA-N 0 0 327.384 3.396 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000450679852 310136803 /nfs/dbraw/zinc/13/68/03/310136803.db2.gz KBHSSWXHEXEWFO-QGPMSJSTSA-N 0 0 332.400 3.317 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000450685426 310137162 /nfs/dbraw/zinc/13/71/62/310137162.db2.gz SKEXQNXIHZTJOC-RAIGVLPGSA-N 0 0 348.428 3.119 10 5 EGBERN C[C@H]1C[C@@H](O)CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000450942643 310151182 /nfs/dbraw/zinc/15/11/82/310151182.db2.gz PIAYXMKXEWHBFN-XJKSGUPXSA-N 0 0 340.379 3.033 10 5 EGBERN Cc1nn([C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1[N+](=O)[O-] ZINC000450967266 310152577 /nfs/dbraw/zinc/15/25/77/310152577.db2.gz ZUOHRXFCFGYPQM-QGZVFWFLSA-N 0 0 342.399 3.424 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451317496 310171263 /nfs/dbraw/zinc/17/12/63/310171263.db2.gz WLELTXPMUHCURF-AGIUHOORSA-N 0 0 342.399 3.492 10 5 EGBERN NC(=O)c1ccc(CN2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855459 310200511 /nfs/dbraw/zinc/20/05/11/310200511.db2.gz OTJLCTIRCYNOFR-MRXNPFEDSA-N 0 0 341.367 3.014 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c(F)cccc21 ZINC000452187567 310217563 /nfs/dbraw/zinc/21/75/63/310217563.db2.gz ACSUMQGBZZZEDO-MRXNPFEDSA-N 0 0 328.343 3.470 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000452503927 310230465 /nfs/dbraw/zinc/23/04/65/310230465.db2.gz UNITZJFWLWCKRW-GFCCVEGCSA-N 0 0 339.189 3.290 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452577684 310232947 /nfs/dbraw/zinc/23/29/47/310232947.db2.gz XZKOMLAWDPATES-BFYDXBDKSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1ncccc1N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000452640592 310235478 /nfs/dbraw/zinc/23/54/78/310235478.db2.gz BKNXFWZEWXJEDQ-LBPRGKRZSA-N 0 0 331.397 3.442 10 5 EGBERN Cc1cccnc1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000452834706 310244484 /nfs/dbraw/zinc/24/44/84/310244484.db2.gz ZAXAXYHCVNQALC-CYBMUJFWSA-N 0 0 345.424 3.138 10 5 EGBERN CCc1nc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000454484709 310312291 /nfs/dbraw/zinc/31/22/91/310312291.db2.gz QTWWIQSUOLMTLN-JTQLQIEISA-N 0 0 334.401 3.174 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454888978 310334329 /nfs/dbraw/zinc/33/43/29/310334329.db2.gz PXPOKWINBHZODR-HYVNUMGLSA-N 0 0 329.400 3.282 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456097212 310388324 /nfs/dbraw/zinc/38/83/24/310388324.db2.gz IUAZDWKJRBEPPH-BBWFWOEESA-N 0 0 332.400 3.059 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000456098120 310388503 /nfs/dbraw/zinc/38/85/03/310388503.db2.gz YJLWBAZMQJQKSE-WPRPVWTQSA-N 0 0 331.294 3.101 10 5 EGBERN CCn1cc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000456702273 310418848 /nfs/dbraw/zinc/41/88/48/310418848.db2.gz YNRSDHKXADUBPV-JTQLQIEISA-N 0 0 336.779 3.264 10 5 EGBERN CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460222465 310581161 /nfs/dbraw/zinc/58/11/61/310581161.db2.gz OMUANOQQGKLGBB-OCCSQVGLSA-N 0 0 329.404 3.498 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460233664 310581193 /nfs/dbraw/zinc/58/11/93/310581193.db2.gz VQRPIXJRHYGOFE-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2F)C1 ZINC000464243559 310618826 /nfs/dbraw/zinc/61/88/26/310618826.db2.gz VNYFOOYLXRZENA-UHFFFAOYSA-N 0 0 343.358 3.085 10 5 EGBERN COC(=O)[C@@](C)(CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000468614607 310691171 /nfs/dbraw/zinc/69/11/71/310691171.db2.gz CQQOHILXHBJANF-SFHVURJKSA-N 0 0 343.383 3.149 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc2c(c1)OCC(=O)N2 ZINC000468636956 310691236 /nfs/dbraw/zinc/69/12/36/310691236.db2.gz GCXYZBPZOGEUDR-GHXNOFRVSA-N 0 0 339.351 3.441 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3ccc(Cl)cc3)n2)c1=O ZINC000479941186 310886587 /nfs/dbraw/zinc/88/65/87/310886587.db2.gz OQMZEPZWMMXWSH-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000487430516 311023121 /nfs/dbraw/zinc/02/31/21/311023121.db2.gz OHDZWQQTLSKOAB-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN CC[C@@H](NC(=O)Cn1ncc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000487820719 311038777 /nfs/dbraw/zinc/03/87/77/311038777.db2.gz MLRRLNLZTIUBLD-MRXNPFEDSA-N 0 0 338.367 3.212 10 5 EGBERN CC[C@@H](NC(=O)CCCOc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000487880634 311041307 /nfs/dbraw/zinc/04/13/07/311041307.db2.gz YACYUQBIUNVHEA-QGZVFWFLSA-N 0 0 343.383 3.416 10 5 EGBERN Cc1nc2ccccc2n1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487901736 311042025 /nfs/dbraw/zinc/04/20/25/311042025.db2.gz YRJLKBQLTBCIHK-UHFFFAOYSA-N 0 0 347.378 3.335 10 5 EGBERN C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000487905386 311042187 /nfs/dbraw/zinc/04/21/87/311042187.db2.gz HHVPJJGMRHCBMW-LLVKDONJSA-N 0 0 337.335 3.467 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](C2CCOCC2)C1 ZINC000488099320 311051147 /nfs/dbraw/zinc/05/11/47/311051147.db2.gz KJYIWNOGDPJHSN-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488119105 311051854 /nfs/dbraw/zinc/05/18/54/311051854.db2.gz BWBUPXSBUYURQH-UHFFFAOYSA-N 0 0 336.351 3.291 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000488787770 311080056 /nfs/dbraw/zinc/08/00/56/311080056.db2.gz AOCYSMMCBGWTDM-HZPDHXFCSA-N 0 0 340.445 3.229 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000490223299 311136386 /nfs/dbraw/zinc/13/63/86/311136386.db2.gz NMZDFVCQOMGKJR-DZGCQCFKSA-N 0 0 339.342 3.090 10 5 EGBERN CCOc1cc(C(=O)N(C)C2(C)CCCC2)c([N+](=O)[O-])cc1OC ZINC000490601099 311146536 /nfs/dbraw/zinc/14/65/36/311146536.db2.gz KTBLDAYKQYKZSI-UHFFFAOYSA-N 0 0 336.388 3.407 10 5 EGBERN Cc1c(CC(=O)NCCc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000501975524 311956964 /nfs/dbraw/zinc/95/69/64/311956964.db2.gz KNPXZUKPOPWVGZ-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000504940812 312012819 /nfs/dbraw/zinc/01/28/19/312012819.db2.gz AFYJCLZYYUCRQT-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505128282 312016059 /nfs/dbraw/zinc/01/60/59/312016059.db2.gz CGXKAWIEOHSSLZ-GHMZBOCLSA-N 0 0 328.290 3.463 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000506106752 312041663 /nfs/dbraw/zinc/04/16/63/312041663.db2.gz OZGIUZHCSRRRRG-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN CN(C)c1nc(CSCc2c(F)cc([N+](=O)[O-])cc2F)ns1 ZINC000507118595 312059655 /nfs/dbraw/zinc/05/96/55/312059655.db2.gz UFYQXFPJHFFDNS-UHFFFAOYSA-N 0 0 346.384 3.224 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)C2)C1 ZINC000508958507 312106518 /nfs/dbraw/zinc/10/65/18/312106518.db2.gz AHUVUEBMNPLMPZ-FZKQIMNGSA-N 0 0 341.415 3.407 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000510320049 312138140 /nfs/dbraw/zinc/13/81/40/312138140.db2.gz DJTVNSKRTLFIMO-YOEHRIQHSA-N 0 0 332.400 3.306 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000511471813 312161272 /nfs/dbraw/zinc/16/12/72/312161272.db2.gz CQBJEMZFNSCHBM-QZTJIDSGSA-N 0 0 339.395 3.335 10 5 EGBERN CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512519981 312188623 /nfs/dbraw/zinc/18/86/23/312188623.db2.gz VUJNCSHSHTUMMY-GFCCVEGCSA-N 0 0 340.426 3.476 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512766888 312194344 /nfs/dbraw/zinc/19/43/44/312194344.db2.gz LMQRLXKCRGBSEZ-NSHDSACASA-N 0 0 340.426 3.346 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000513728280 312216700 /nfs/dbraw/zinc/21/67/00/312216700.db2.gz GOJPXCZHQSOVBC-UHFFFAOYSA-N 0 0 345.355 3.259 10 5 EGBERN COC(=O)c1cc(NCC(C)(C)[C@@H](O)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000514196817 312227117 /nfs/dbraw/zinc/22/71/17/312227117.db2.gz CXYHPMKZQLPPQQ-HNNXBMFYSA-N 0 0 338.404 3.145 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000515297340 312274610 /nfs/dbraw/zinc/27/46/10/312274610.db2.gz KLGFXUGPOLTYBX-UHFFFAOYSA-N 0 0 326.312 3.447 10 5 EGBERN Cc1cc(F)ccc1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000515576412 312289690 /nfs/dbraw/zinc/28/96/90/312289690.db2.gz JAUMJEHXXVASAE-UHFFFAOYSA-N 0 0 342.330 3.328 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000517345059 312375643 /nfs/dbraw/zinc/37/56/43/312375643.db2.gz SSRQFWCLYWEQBQ-UHFFFAOYSA-N 0 0 329.331 3.091 10 5 EGBERN CC(C)(C)c1cc(Cn2ccc3ccc([N+](=O)[O-])cc3c2=O)no1 ZINC000520812841 312521352 /nfs/dbraw/zinc/52/13/52/312521352.db2.gz GTBNOAJDKATQBU-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000523523898 312624477 /nfs/dbraw/zinc/62/44/77/312624477.db2.gz BFMDQAXVJGCKEE-NSHDSACASA-N 0 0 330.381 3.077 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000525042506 312693383 /nfs/dbraw/zinc/69/33/83/312693383.db2.gz XOKCOBLDRSJFPI-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530395931 313529048 /nfs/dbraw/zinc/52/90/48/313529048.db2.gz NTVMHUXMDSCXER-UHFFFAOYSA-N 0 0 327.340 3.264 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000531882878 313726204 /nfs/dbraw/zinc/72/62/04/313726204.db2.gz ULOQMDJTYBYBDL-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN O=C(NCc1cc(F)cc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536010118 314087653 /nfs/dbraw/zinc/08/76/53/314087653.db2.gz GIZYLSLMIPTANX-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2ccccc21 ZINC000536252919 314103016 /nfs/dbraw/zinc/10/30/16/314103016.db2.gz JODWAXVAPFRSPZ-UHFFFAOYSA-N 0 0 332.319 3.299 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1C(C)C ZINC000536594205 314128412 /nfs/dbraw/zinc/12/84/12/314128412.db2.gz ILBMSVHARHWXKD-UHFFFAOYSA-N 0 0 333.392 3.162 10 5 EGBERN C[C@@H](NC(=O)N(C)Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000537092174 314160015 /nfs/dbraw/zinc/16/00/15/314160015.db2.gz LPWSNGYOWYBRRY-GFCCVEGCSA-N 0 0 329.356 3.203 10 5 EGBERN O=C(c1occc1-c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537577220 314190183 /nfs/dbraw/zinc/19/01/83/314190183.db2.gz LZKDQVOPGCUXJN-UHFFFAOYSA-N 0 0 349.346 3.448 10 5 EGBERN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])n1cccc1 ZINC000539793042 314338643 /nfs/dbraw/zinc/33/86/43/314338643.db2.gz GJEOROXLONYGHQ-LBPRGKRZSA-N 0 0 335.791 3.360 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)nc1 ZINC000545553849 314770012 /nfs/dbraw/zinc/77/00/12/314770012.db2.gz RKHYSERLNYYDNK-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000548749255 315042371 /nfs/dbraw/zinc/04/23/71/315042371.db2.gz LUKKHHGBTRRLEC-CWSCBRNRSA-N 0 0 330.306 3.498 10 5 EGBERN C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000548749256 315042401 /nfs/dbraw/zinc/04/24/01/315042401.db2.gz LUKKHHGBTRRLEC-KWBADKCTSA-N 0 0 330.306 3.498 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)C1 ZINC000549843926 315107516 /nfs/dbraw/zinc/10/75/16/315107516.db2.gz WXLUVIMAIZXHQQ-ZDUSSCGKSA-N 0 0 329.404 3.356 10 5 EGBERN COc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000551133401 315143002 /nfs/dbraw/zinc/14/30/02/315143002.db2.gz WOOKNGRMTUOGTB-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000551854903 315172199 /nfs/dbraw/zinc/17/21/99/315172199.db2.gz NRDKVMVUEOBRRX-INIZCTEOSA-N 0 0 343.383 3.092 10 5 EGBERN Cc1nsc(C)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000552662115 315227342 /nfs/dbraw/zinc/22/73/42/315227342.db2.gz BBDMSENHPKHYQC-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553229498 315251905 /nfs/dbraw/zinc/25/19/05/315251905.db2.gz WWVZDJFSIBZNKV-XVKPBYJWSA-N 0 0 342.277 3.021 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000553490727 315266819 /nfs/dbraw/zinc/26/68/19/315266819.db2.gz OGGVPJWDQJSDQX-JTQLQIEISA-N 0 0 339.804 3.456 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555167864 315370349 /nfs/dbraw/zinc/37/03/49/315370349.db2.gz MPFNQZLHAOMBNX-ZJUUUORDSA-N 0 0 345.321 3.378 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3ccnc4cccnc43)c2c1 ZINC000555209330 315372652 /nfs/dbraw/zinc/37/26/52/315372652.db2.gz RKKRTLOTPNNSBZ-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1c(F)cccc1F)C1CC1 ZINC000555406906 315383067 /nfs/dbraw/zinc/38/30/67/315383067.db2.gz QQCPXJFUBCOSNQ-UHFFFAOYSA-N 0 0 333.294 3.073 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000556396429 315433041 /nfs/dbraw/zinc/43/30/41/315433041.db2.gz WIFLLYIFDMBILU-ZQIUZPCESA-N 0 0 334.416 3.266 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000557040885 315492838 /nfs/dbraw/zinc/49/28/38/315492838.db2.gz XAZPSWKYXOCWBR-DDFAGTSDSA-N 0 0 339.189 3.194 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000560778927 315723050 /nfs/dbraw/zinc/72/30/50/315723050.db2.gz FULDCJRTRLIYDP-ZDUSSCGKSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000561590859 315772108 /nfs/dbraw/zinc/77/21/08/315772108.db2.gz KVBZBKAQJCSEAM-HZPDHXFCSA-N 0 0 338.411 3.179 10 5 EGBERN CCCc1[nH]ccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564817780 316211602 /nfs/dbraw/zinc/21/16/02/316211602.db2.gz YULRUJWHVCUTCW-UHFFFAOYSA-N 0 0 340.383 3.329 10 5 EGBERN CC[C@H]1CCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565561094 316340148 /nfs/dbraw/zinc/34/01/48/316340148.db2.gz ONYWUMNIYVFXKG-LRDDRELGSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1 ZINC000566034280 316405232 /nfs/dbraw/zinc/40/52/32/316405232.db2.gz DSNNSMFCAJBWFY-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN C[C@@H]1CCCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566652813 316507875 /nfs/dbraw/zinc/50/78/75/316507875.db2.gz DAIBBNZZTAXHNX-GFCCVEGCSA-N 0 0 330.388 3.203 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000566985570 316554416 /nfs/dbraw/zinc/55/44/16/316554416.db2.gz PFJDCBVFILAVCQ-KGLIPLIRSA-N 0 0 347.415 3.197 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000568046078 316715603 /nfs/dbraw/zinc/71/56/03/316715603.db2.gz UTMGJGCRKAIMDI-UHFFFAOYSA-N 0 0 347.321 3.230 10 5 EGBERN COCC[C@H](Cc1ccco1)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000569646555 316941972 /nfs/dbraw/zinc/94/19/72/316941972.db2.gz AROOMZHSGKOHQK-CYBMUJFWSA-N 0 0 348.355 3.034 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CCCC1 ZINC000569791270 316964251 /nfs/dbraw/zinc/96/42/51/316964251.db2.gz HUUTYKLQEXEJLN-UHFFFAOYSA-N 0 0 346.305 3.213 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000570304179 317036926 /nfs/dbraw/zinc/03/69/26/317036926.db2.gz XBMFUCFEXLBVKP-KRWDZBQOSA-N 0 0 332.306 3.445 10 5 EGBERN C[C@@H]1CC[C@H](C)N1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570331129 317040473 /nfs/dbraw/zinc/04/04/73/317040473.db2.gz DNNSSYKUHVDHQU-TXEJJXNPSA-N 0 0 330.388 3.201 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOCC12CCCCC2 ZINC000571282047 317177190 /nfs/dbraw/zinc/17/71/90/317177190.db2.gz BUUKXKBLJOUKGS-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN CC(C)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000571953205 317270050 /nfs/dbraw/zinc/27/00/50/317270050.db2.gz NDXXEQXINXUVPN-UHFFFAOYSA-N 0 0 326.343 3.453 10 5 EGBERN CC(C)Cn1ccnc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000572756206 317387786 /nfs/dbraw/zinc/38/77/86/317387786.db2.gz KTAPVTVYWDGYGW-UHFFFAOYSA-N 0 0 329.404 3.333 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000573177617 317446352 /nfs/dbraw/zinc/44/63/52/317446352.db2.gz PISXOPAUHRXUNW-ZBEGNZNMSA-N 0 0 344.415 3.316 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000573897798 317539623 /nfs/dbraw/zinc/53/96/23/317539623.db2.gz VDBUQENJPKRLDL-HUUCEWRRSA-N 0 0 325.368 3.446 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000574209374 317572482 /nfs/dbraw/zinc/57/24/82/317572482.db2.gz KIUSIXXUOWDCFZ-UHFFFAOYSA-N 0 0 333.388 3.183 10 5 EGBERN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000574836815 317641767 /nfs/dbraw/zinc/64/17/67/317641767.db2.gz IMFLDPPVYNQWQZ-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1COc2ccccc2C1 ZINC000171446810 323235362 /nfs/dbraw/zinc/23/53/62/323235362.db2.gz DCHUYOPYSVLJCJ-DOMZBBRYSA-N 0 0 338.363 3.124 10 5 EGBERN Cc1csc([C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCO2)n1 ZINC000171638877 323243880 /nfs/dbraw/zinc/24/38/80/323243880.db2.gz JQONTZOVZCPUDN-CQSZACIVSA-N 0 0 337.376 3.072 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021575 323266268 /nfs/dbraw/zinc/26/62/68/323266268.db2.gz JNLLIBRJSGGTNR-CQSZACIVSA-N 0 0 339.823 3.081 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179257221 323376977 /nfs/dbraw/zinc/37/69/77/323376977.db2.gz ANYOFKITRBQMMH-CYBMUJFWSA-N 0 0 343.383 3.073 10 5 EGBERN CC1(C)CN(CC(F)(F)F)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000182233875 323534774 /nfs/dbraw/zinc/53/47/74/323534774.db2.gz UFGISQPTTNBPPL-UHFFFAOYSA-N 0 0 337.367 3.115 10 5 EGBERN Cc1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(C2CC2)n1 ZINC000185014475 323685338 /nfs/dbraw/zinc/68/53/38/323685338.db2.gz JBVZLHUPHPHLEF-VIFPVBQESA-N 0 0 344.346 3.452 10 5 EGBERN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000189589603 323782879 /nfs/dbraw/zinc/78/28/79/323782879.db2.gz YFVWEUWXHFAJCY-LBPRGKRZSA-N 0 0 345.321 3.109 10 5 EGBERN CCc1noc(C)c1-c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000351018942 324154268 /nfs/dbraw/zinc/15/42/68/324154268.db2.gz DHONIKNBPXFITH-UHFFFAOYSA-N 0 0 330.300 3.083 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351223020 324199955 /nfs/dbraw/zinc/19/99/55/324199955.db2.gz MYGGIFBALRMNSW-FBUXBERBSA-N 0 0 329.356 3.389 10 5 EGBERN C[C@@H]1CCn2ncc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)c2C1 ZINC000351366993 324231608 /nfs/dbraw/zinc/23/16/08/324231608.db2.gz MTKZETYWPGTVRM-MRVPVSSYSA-N 0 0 331.357 3.152 10 5 EGBERN Cc1nc(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000576699191 324665679 /nfs/dbraw/zinc/66/56/79/324665679.db2.gz JYPGLTMKYSYBDP-AAEUAGOBSA-N 0 0 335.404 3.102 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577581189 324829989 /nfs/dbraw/zinc/82/99/89/324829989.db2.gz VAQSOCNKRRENKC-CMPLNLGQSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@H](C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579345696 325097456 /nfs/dbraw/zinc/09/74/56/325097456.db2.gz JCYOCVOLRDNYLI-BJOOFOGMSA-N 0 0 328.343 3.452 10 5 EGBERN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000579671984 325141923 /nfs/dbraw/zinc/14/19/23/325141923.db2.gz OMTHPNAEECIYES-UHFFFAOYSA-N 0 0 341.327 3.280 10 5 EGBERN Cn1c(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)nnc1C1CCC1 ZINC000580186298 325215272 /nfs/dbraw/zinc/21/52/72/325215272.db2.gz PLOJOCJSSBYMDA-UHFFFAOYSA-N 0 0 345.428 3.416 10 5 EGBERN CCC1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000581759709 325388431 /nfs/dbraw/zinc/38/84/31/325388431.db2.gz WASUASCHROJCJM-UHFFFAOYSA-N 0 0 330.388 3.251 10 5 EGBERN CC[C@@H](C)n1ncc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000582682927 325461788 /nfs/dbraw/zinc/46/17/88/325461788.db2.gz HJKUSCSHNDZGSO-SNVBAGLBSA-N 0 0 347.375 3.304 10 5 EGBERN Cc1nn(CCCC(=O)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000000215087 452538943 /nfs/dbraw/zinc/53/89/43/452538943.db2.gz CGWWPZXYKADMTA-UHFFFAOYSA-N 0 0 336.779 3.480 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cn1 ZINC000000243686 452545795 /nfs/dbraw/zinc/54/57/95/452545795.db2.gz WQOMMQOJAKJPBY-QPJJXVBHSA-N 0 0 348.156 3.404 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000173565694 455306547 /nfs/dbraw/zinc/30/65/47/455306547.db2.gz QVJDLCALXFQYAL-GXFFZTMASA-N 0 0 346.387 3.152 10 5 EGBERN Cc1sc(C(=O)NC[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000190551746 455341241 /nfs/dbraw/zinc/34/12/41/455341241.db2.gz UCWWKWJURAUPMA-HNNXBMFYSA-N 0 0 326.418 3.026 10 5 EGBERN Cc1cc(O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000008705819 453224701 /nfs/dbraw/zinc/22/47/01/453224701.db2.gz IFMIAZRTKDSQBH-NSHDSACASA-N 0 0 325.324 3.280 10 5 EGBERN O=C1Nc2ccccc2[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 ZINC000008718051 453226794 /nfs/dbraw/zinc/22/67/94/453226794.db2.gz MAAPOBWPTYWEIF-QUCCMNQESA-N 0 0 349.390 3.400 10 5 EGBERN Cc1c(C(=O)NCc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000011559637 453324170 /nfs/dbraw/zinc/32/41/70/453324170.db2.gz OZQWMVYALKHAAR-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CCOc1ccc(C(C)=O)cc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000012533593 453367016 /nfs/dbraw/zinc/36/70/16/453367016.db2.gz DWLQUWDZDQBTGX-UHFFFAOYSA-N 0 0 330.340 3.479 10 5 EGBERN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012607546 453381268 /nfs/dbraw/zinc/38/12/68/453381268.db2.gz BBYGYRXKHSVSAT-UHFFFAOYSA-N 0 0 332.287 3.034 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000015695438 453583275 /nfs/dbraw/zinc/58/32/75/453583275.db2.gz HQWRQTOLIQUQES-VIFPVBQESA-N 0 0 335.310 3.406 10 5 EGBERN O=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000600801501 460609715 /nfs/dbraw/zinc/60/97/15/460609715.db2.gz JDFYENLXIRDYNM-CQSZACIVSA-N 0 0 331.759 3.451 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000016174184 453596835 /nfs/dbraw/zinc/59/68/35/453596835.db2.gz HHSDRUMAGJNKBI-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600807886 460612252 /nfs/dbraw/zinc/61/22/52/460612252.db2.gz WZGAUZVPSZVGFZ-MUBLQREKSA-N 0 0 348.399 3.430 10 5 EGBERN CCc1ccc(NC(=O)Cc2noc3ccccc32)cc1[N+](=O)[O-] ZINC000027312514 453814470 /nfs/dbraw/zinc/81/44/70/453814470.db2.gz CWDFPDODHUDFGJ-UHFFFAOYSA-N 0 0 325.324 3.480 10 5 EGBERN Nc1nc(N2CCC[C@@H]2[C@@H]2CCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000075094130 453859609 /nfs/dbraw/zinc/85/96/09/453859609.db2.gz RSCBZQSDAFRKBX-HUUCEWRRSA-N 0 0 339.399 3.056 10 5 EGBERN Cc1sc(C(=O)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000032408089 453871540 /nfs/dbraw/zinc/87/15/40/453871540.db2.gz MXGQSRNGUXKJSK-UHFFFAOYSA-N 0 0 342.323 3.496 10 5 EGBERN Cc1sc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000032461926 453873876 /nfs/dbraw/zinc/87/38/76/453873876.db2.gz AZVQSNFLUGSIDJ-UHFFFAOYSA-N 0 0 344.396 3.204 10 5 EGBERN Cc1sc(C(=O)N(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000032458074 453874070 /nfs/dbraw/zinc/87/40/70/453874070.db2.gz WNEIPVWRAZVHMA-UHFFFAOYSA-N 0 0 338.360 3.255 10 5 EGBERN CC[C@H](C)NC(=O)c1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000066809326 453875698 /nfs/dbraw/zinc/87/56/98/453875698.db2.gz QYHCLCYWUUYMJU-LBPRGKRZSA-N 0 0 328.372 3.130 10 5 EGBERN O=C1Nc2ccccc2[C@H]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032534444 453877377 /nfs/dbraw/zinc/87/73/77/453877377.db2.gz QZVXNICNKGFEKM-GFCCVEGCSA-N 0 0 342.311 3.041 10 5 EGBERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000075512366 453899671 /nfs/dbraw/zinc/89/96/71/453899671.db2.gz UAHKANBIYNJJCY-MEDUHNTESA-N 0 0 339.351 3.442 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000181790323 455382582 /nfs/dbraw/zinc/38/25/82/455382582.db2.gz LJCHYLKRLTXOOI-QPUJVOFHSA-N 0 0 347.293 3.303 10 5 EGBERN COc1ccc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000067286352 453918629 /nfs/dbraw/zinc/91/86/29/453918629.db2.gz WWLCIKUIHTXLGU-NSHDSACASA-N 0 0 347.346 3.032 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000054302525 453921912 /nfs/dbraw/zinc/92/19/12/453921912.db2.gz BBRNSAMRUFTXDN-UHFFFAOYSA-N 0 0 347.396 3.355 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000083013028 453933156 /nfs/dbraw/zinc/93/31/56/453933156.db2.gz UHRVNXCAFAKHSQ-UHFFFAOYSA-N 0 0 349.387 3.341 10 5 EGBERN COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000054533026 453933493 /nfs/dbraw/zinc/93/34/93/453933493.db2.gz XLSHTMMYVQKKGI-OAHLLOKOSA-N 0 0 343.339 3.021 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000067515572 453937870 /nfs/dbraw/zinc/93/78/70/453937870.db2.gz QTUZFKNIUBGYPC-QZTJIDSGSA-N 0 0 348.362 3.066 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 ZINC000038230206 453940356 /nfs/dbraw/zinc/94/03/56/453940356.db2.gz OVGDVJSFXYEMKF-UHFFFAOYSA-N 0 0 334.376 3.484 10 5 EGBERN O=C(NCc1ccccn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000040949845 453955012 /nfs/dbraw/zinc/95/50/12/453955012.db2.gz ZXUBJWZWFKCCQJ-UHFFFAOYSA-N 0 0 329.359 3.006 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000067873169 453975056 /nfs/dbraw/zinc/97/50/56/453975056.db2.gz RCYTZPMFXPCKJI-HOTGVXAUSA-N 0 0 340.379 3.344 10 5 EGBERN O=C(OC1CCCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000084341026 453984894 /nfs/dbraw/zinc/98/48/94/453984894.db2.gz RZWMUWLZEGKSKV-UHFFFAOYSA-N 0 0 348.399 3.311 10 5 EGBERN COc1ccc(CC(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000068180944 454005645 /nfs/dbraw/zinc/00/56/45/454005645.db2.gz TULUNOJFGBAIGH-UHFFFAOYSA-N 0 0 346.358 3.034 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000068180317 454005856 /nfs/dbraw/zinc/00/58/56/454005856.db2.gz AHYAQCQDVVYLAB-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1[S@@](=O)C[C@H]1CCCCO1 ZINC000085234519 454020567 /nfs/dbraw/zinc/02/05/67/454020567.db2.gz OUIGRKUGELHIQT-GIGQVBGESA-N 0 0 348.218 3.034 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000056460146 454059900 /nfs/dbraw/zinc/05/99/00/454059900.db2.gz KPEFRNXGYYINFU-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000077294814 454087212 /nfs/dbraw/zinc/08/72/12/454087212.db2.gz QQAFCOGSIGAYNL-INIZCTEOSA-N 0 0 326.352 3.384 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000044350731 454097838 /nfs/dbraw/zinc/09/78/38/454097838.db2.gz AQBRYRORLRQYIL-SECBINFHSA-N 0 0 336.369 3.165 10 5 EGBERN CCn1ccc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc21 ZINC000069534428 454117552 /nfs/dbraw/zinc/11/75/52/454117552.db2.gz XWPBGQHLCOPHFB-UHFFFAOYSA-N 0 0 341.371 3.140 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069594764 454122420 /nfs/dbraw/zinc/12/24/20/454122420.db2.gz KNGPYPNIXCPECP-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN COc1ccc(CNc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000089466077 454152755 /nfs/dbraw/zinc/15/27/55/454152755.db2.gz DCNMKOBPJDPCNR-UHFFFAOYSA-N 0 0 343.383 3.052 10 5 EGBERN Cc1ccc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000057868816 454153170 /nfs/dbraw/zinc/15/31/70/454153170.db2.gz XEBRJHXVVHNYKN-UHFFFAOYSA-N 0 0 328.328 3.178 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000045467892 454162352 /nfs/dbraw/zinc/16/23/52/454162352.db2.gz MJEGSHJWGKABCX-UHFFFAOYSA-N 0 0 329.356 3.476 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](CC)c2nccs2)c1[N+](=O)[O-] ZINC000077991531 454175077 /nfs/dbraw/zinc/17/50/77/454175077.db2.gz NPNISZRUQRORFB-SNVBAGLBSA-N 0 0 336.373 3.186 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000070938000 454188207 /nfs/dbraw/zinc/18/82/07/454188207.db2.gz ZRESOIXSDBYFGU-SECBINFHSA-N 0 0 333.344 3.089 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccncc1)C1CC1 ZINC000130296793 454188427 /nfs/dbraw/zinc/18/84/27/454188427.db2.gz AIDHUMNTJDDKPU-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000071050915 454197131 /nfs/dbraw/zinc/19/71/31/454197131.db2.gz XRWPAUXOZNZGOX-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149521 454201777 /nfs/dbraw/zinc/20/17/77/454201777.db2.gz DXZUXHYSJIMODS-CABCVRRESA-N 0 0 326.327 3.427 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000089835848 454212546 /nfs/dbraw/zinc/21/25/46/454212546.db2.gz GVDAOTDDHOJNIU-KBPBESRZSA-N 0 0 346.333 3.335 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000119904311 454234237 /nfs/dbraw/zinc/23/42/37/454234237.db2.gz CPXINCSTVMWCAG-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000089955596 454246987 /nfs/dbraw/zinc/24/69/87/454246987.db2.gz XQKCMFNMTRWHBD-INIZCTEOSA-N 0 0 339.395 3.400 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000078411126 454249449 /nfs/dbraw/zinc/24/94/49/454249449.db2.gz UJWXRKRPFOXYPY-UHFFFAOYSA-N 0 0 333.388 3.327 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ccc(CO)cc3[N+](=O)[O-])C2)cc1 ZINC000071913887 454254527 /nfs/dbraw/zinc/25/45/27/454254527.db2.gz XTCQMPQONRMJRQ-OAHLLOKOSA-N 0 0 328.368 3.090 10 5 EGBERN CC[C@H](NS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090222053 454295748 /nfs/dbraw/zinc/29/57/48/454295748.db2.gz HNICZFAANGXARF-LBPRGKRZSA-N 0 0 326.399 3.086 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000120666249 454333086 /nfs/dbraw/zinc/33/30/86/454333086.db2.gz HTAAHEXXLOZZIR-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN CCOc1cc(C(=O)N[C@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000079002980 454352195 /nfs/dbraw/zinc/35/21/95/454352195.db2.gz YMFJRFOZQCCJSR-LLVKDONJSA-N 0 0 348.355 3.395 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000062268022 454372429 /nfs/dbraw/zinc/37/24/29/454372429.db2.gz LLUIIMHKGPXRRW-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN C[C@@H](Nc1ccc(N2CCCC2=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC000097038276 454394030 /nfs/dbraw/zinc/39/40/30/454394030.db2.gz WSUCANCVCWIHAN-GFCCVEGCSA-N 0 0 326.356 3.290 10 5 EGBERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000097074746 454399501 /nfs/dbraw/zinc/39/95/01/454399501.db2.gz NJKHTPMDHMPCAO-AWEZNQCLSA-N 0 0 348.399 3.060 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1ccnc1 ZINC000097162536 454419340 /nfs/dbraw/zinc/41/93/40/454419340.db2.gz GIKBJKBKEPCSNR-IAQYHMDHSA-N 0 0 348.790 3.168 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133535492 454436416 /nfs/dbraw/zinc/43/64/16/454436416.db2.gz KSSPFNWOSPKKAI-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091627624 454451853 /nfs/dbraw/zinc/45/18/53/454451853.db2.gz PCYOMGOJGRZHPS-JTQLQIEISA-N 0 0 349.341 3.183 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccsc2)C1 ZINC000133750368 454463681 /nfs/dbraw/zinc/46/36/81/454463681.db2.gz WFBUGIVDRPCSDG-AWEZNQCLSA-N 0 0 333.369 3.262 10 5 EGBERN O=c1ccccn1Cc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000064029818 454465092 /nfs/dbraw/zinc/46/50/92/454465092.db2.gz DVJGGCUGGYZJOA-UHFFFAOYSA-N 0 0 341.392 3.478 10 5 EGBERN COc1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc(OC)c1O ZINC000064113804 454467001 /nfs/dbraw/zinc/46/70/01/454467001.db2.gz HLZYUNUTGUMWNH-UHFFFAOYSA-N 0 0 346.339 3.132 10 5 EGBERN C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244534 454469374 /nfs/dbraw/zinc/46/93/74/454469374.db2.gz WPPZNSRNEXHMNP-QMMMGPOBSA-N 0 0 344.439 3.026 10 5 EGBERN Cc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)s1 ZINC000064245431 454469599 /nfs/dbraw/zinc/46/95/99/454469599.db2.gz FEUODBMLRBMYAF-QMMMGPOBSA-N 0 0 346.455 3.374 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3ncon3)c2)cc1[N+](=O)[O-] ZINC000101525440 454471477 /nfs/dbraw/zinc/47/14/77/454471477.db2.gz UVXSDWWTKHLUCJ-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc12 ZINC000091828053 454478555 /nfs/dbraw/zinc/47/85/55/454478555.db2.gz NJLJWSTWNCQDOU-UHFFFAOYSA-N 0 0 339.355 3.220 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000101660834 454480513 /nfs/dbraw/zinc/48/05/13/454480513.db2.gz AYSNOXHFMMYDKW-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN CC(C)CCC[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000133978440 454489620 /nfs/dbraw/zinc/48/96/20/454489620.db2.gz PSCMINVXYSSOJJ-CYBMUJFWSA-N 0 0 328.434 3.229 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000134035108 454495657 /nfs/dbraw/zinc/49/56/57/454495657.db2.gz MIQXXFXJEBYTRG-VIFPVBQESA-N 0 0 336.373 3.023 10 5 EGBERN CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000122316826 454522837 /nfs/dbraw/zinc/52/28/37/454522837.db2.gz UIEGWMFZRMPZLO-UHFFFAOYSA-N 0 0 344.389 3.009 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)nc21 ZINC000160366211 455452106 /nfs/dbraw/zinc/45/21/06/455452106.db2.gz UCIKIEPZIHBUMU-UHFFFAOYSA-N 0 0 349.350 3.191 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc([S@@](C)=O)cc2)c1 ZINC000080246621 454555528 /nfs/dbraw/zinc/55/55/28/454555528.db2.gz PHMWRELSPWCUCU-QHCPKHFHSA-N 0 0 338.360 3.092 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCOCc1ccccc1 ZINC000050423216 454586331 /nfs/dbraw/zinc/58/63/31/454586331.db2.gz MCSUDGKSCJIDNF-UHFFFAOYSA-N 0 0 342.395 3.251 10 5 EGBERN CCNc1nnc(Sc2cc(OC)cc(F)c2[N+](=O)[O-])s1 ZINC000092584371 454589503 /nfs/dbraw/zinc/58/95/03/454589503.db2.gz RPOVVARPWTZGOF-UHFFFAOYSA-N 0 0 330.366 3.177 10 5 EGBERN CC(C)c1ccc(CN2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000092586628 454591274 /nfs/dbraw/zinc/59/12/74/454591274.db2.gz CANMYUXFGWXNGD-UHFFFAOYSA-N 0 0 327.375 3.101 10 5 EGBERN Cc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080649521 454611531 /nfs/dbraw/zinc/61/15/31/454611531.db2.gz FTUKWSKXXGBPHU-LBPRGKRZSA-N 0 0 349.822 3.371 10 5 EGBERN COc1ccc([C@@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092783117 454631133 /nfs/dbraw/zinc/63/11/33/454631133.db2.gz CFLTYHOXIKLXMU-CQSZACIVSA-N 0 0 328.368 3.299 10 5 EGBERN COc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000093114935 454684547 /nfs/dbraw/zinc/68/45/47/454684547.db2.gz DUBDGBMKCRCDAW-AWEZNQCLSA-N 0 0 336.775 3.080 10 5 EGBERN CCc1cnc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000081205445 454695568 /nfs/dbraw/zinc/69/55/68/454695568.db2.gz CEKMRKWQJBMBIS-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000106710683 454713727 /nfs/dbraw/zinc/71/37/27/454713727.db2.gz JNRXKNXRCQHSRP-JTQLQIEISA-N 0 0 334.401 3.205 10 5 EGBERN CCS(=O)(=O)C[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124651891 454756806 /nfs/dbraw/zinc/75/68/06/454756806.db2.gz ABBMBKFOLYZCGD-SSDOTTSWSA-N 0 0 341.216 3.137 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cc(F)ccc21 ZINC000153241381 454773968 /nfs/dbraw/zinc/77/39/68/454773968.db2.gz IZDLNQCHIZSXEO-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nccs1 ZINC000612540296 460654903 /nfs/dbraw/zinc/65/49/03/460654903.db2.gz KDXXPDVGADJPAG-UHFFFAOYSA-N 0 0 331.275 3.347 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000176954073 454803648 /nfs/dbraw/zinc/80/36/48/454803648.db2.gz VXRIKIHMLKQIRR-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000177206047 454836334 /nfs/dbraw/zinc/83/63/34/454836334.db2.gz PRMODFGOFYVOQG-CJNGLKHVSA-N 0 0 344.367 3.225 10 5 EGBERN Cc1cc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000153828900 454837650 /nfs/dbraw/zinc/83/76/50/454837650.db2.gz UITAFLWLNXELIB-XJKSGUPXSA-N 0 0 335.404 3.356 10 5 EGBERN Cc1c(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000125805651 454849038 /nfs/dbraw/zinc/84/90/38/454849038.db2.gz SSRSETXDAAKMIW-QGZVFWFLSA-N 0 0 346.427 3.396 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000111152686 454857456 /nfs/dbraw/zinc/85/74/56/454857456.db2.gz CERCSHJPTCMSHE-XIKOKIGWSA-N 0 0 325.368 3.056 10 5 EGBERN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000112250947 454883327 /nfs/dbraw/zinc/88/33/27/454883327.db2.gz JDZRUVMLIXBVBV-CYBMUJFWSA-N 0 0 333.432 3.362 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](c1ccccc1C)C(C)C ZINC000112258696 454883677 /nfs/dbraw/zinc/88/36/77/454883677.db2.gz JRACOYGCSOQGSB-GOSISDBHSA-N 0 0 344.415 3.264 10 5 EGBERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000150743282 454885278 /nfs/dbraw/zinc/88/52/78/454885278.db2.gz GQGBNNRKVUEWHF-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000151080888 454934672 /nfs/dbraw/zinc/93/46/72/454934672.db2.gz OEOGHTWGNCYHNU-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN Nc1c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000178180128 454940938 /nfs/dbraw/zinc/94/09/38/454940938.db2.gz VJJAUKTUSQJLEV-CQSZACIVSA-N 0 0 343.358 3.163 10 5 EGBERN Cc1c(CC(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000127236691 454947371 /nfs/dbraw/zinc/94/73/71/454947371.db2.gz AHGHOWZHRANAOX-UHFFFAOYSA-N 0 0 334.322 3.083 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)n1 ZINC000191540725 455495286 /nfs/dbraw/zinc/49/52/86/455495286.db2.gz KXTQQVKVYAPBIF-OAHLLOKOSA-N 0 0 348.378 3.468 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000127382507 454959905 /nfs/dbraw/zinc/95/99/05/454959905.db2.gz DTJSSHUOCMDULY-BLLLJJGKSA-N 0 0 343.387 3.215 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000115099516 454996882 /nfs/dbraw/zinc/99/68/82/454996882.db2.gz JGDOKGIHCFNWJJ-UHFFFAOYSA-N 0 0 340.335 3.345 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151750363 455025529 /nfs/dbraw/zinc/02/55/29/455025529.db2.gz QZKYSACSEUOVST-YVEFUNNKSA-N 0 0 326.352 3.059 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128218851 455036292 /nfs/dbraw/zinc/03/62/92/455036292.db2.gz ILLNQGIGMBFPKO-SWLSCSKDSA-N 0 0 326.352 3.198 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167127 455040120 /nfs/dbraw/zinc/04/01/20/455040120.db2.gz CRIVFPYXHDZCLP-ZDUSSCGKSA-N 0 0 345.374 3.207 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2CC1 ZINC000116216876 455048212 /nfs/dbraw/zinc/04/82/12/455048212.db2.gz GAHXPBXJWBEDHA-UHFFFAOYSA-N 0 0 335.363 3.317 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000171304698 455060112 /nfs/dbraw/zinc/06/01/12/455060112.db2.gz ZJPGLNFWMMOZND-JTQLQIEISA-N 0 0 325.324 3.273 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000179942709 455103310 /nfs/dbraw/zinc/10/33/10/455103310.db2.gz MBQBYLIKKPQWJT-UHFFFAOYSA-N 0 0 340.282 3.370 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000129848769 455129110 /nfs/dbraw/zinc/12/91/10/455129110.db2.gz PMWXRMYRWXNMMF-UHFFFAOYSA-N 0 0 329.360 3.228 10 5 EGBERN C[C@H](NC(=O)NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000180573683 455200207 /nfs/dbraw/zinc/20/02/07/455200207.db2.gz YLCGTXNIYSUPDG-JTQLQIEISA-N 0 0 334.763 3.204 10 5 EGBERN Cc1cccc(C(=O)N[C@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000172956479 455213429 /nfs/dbraw/zinc/21/34/29/455213429.db2.gz PPKYCOOHXKLZFY-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000181205765 455303241 /nfs/dbraw/zinc/30/32/41/455303241.db2.gz BPOYQCSCXVNYAC-VIFPVBQESA-N 0 0 346.330 3.363 10 5 EGBERN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000183833925 455331420 /nfs/dbraw/zinc/33/14/20/455331420.db2.gz LLGLEEGHVGZTTH-OAHLLOKOSA-N 0 0 325.368 3.275 10 5 EGBERN Cc1sc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000159145571 455356186 /nfs/dbraw/zinc/35/61/86/455356186.db2.gz OARPOJDAFPRDEF-SNVBAGLBSA-N 0 0 334.397 3.374 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000174512429 455399189 /nfs/dbraw/zinc/39/91/89/455399189.db2.gz ZAHPWSWZABFWKU-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000159826692 455407162 /nfs/dbraw/zinc/40/71/62/455407162.db2.gz MJEDJPOLOXYCGK-GFCCVEGCSA-N 0 0 346.358 3.471 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184617145 455414063 /nfs/dbraw/zinc/41/40/63/455414063.db2.gz RKOBVQQFKBOROM-MDZDMXLPSA-N 0 0 327.344 3.022 10 5 EGBERN CCc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000160021255 455422471 /nfs/dbraw/zinc/42/24/71/455422471.db2.gz QBFMQPTZQIAJEM-UHFFFAOYSA-N 0 0 326.356 3.385 10 5 EGBERN CN(C[C@H]1CCCCO1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601008103 460674141 /nfs/dbraw/zinc/67/41/41/460674141.db2.gz INZXCCBAHVGYFG-MRXNPFEDSA-N 0 0 332.400 3.044 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000191633763 455505615 /nfs/dbraw/zinc/50/56/15/455505615.db2.gz LUCBWMVYBFTUMS-GFCCVEGCSA-N 0 0 332.360 3.080 10 5 EGBERN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161083873 455531159 /nfs/dbraw/zinc/53/11/59/455531159.db2.gz PMFXMYDLAFISSZ-GXFFZTMASA-N 0 0 334.401 3.119 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000192331904 455592248 /nfs/dbraw/zinc/59/22/48/455592248.db2.gz XBZQZLGXSRJGLF-CQSZACIVSA-N 0 0 336.388 3.284 10 5 EGBERN C[C@H]1COCC[C@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277640558 455621678 /nfs/dbraw/zinc/62/16/78/455621678.db2.gz NPLZWIKCJNMBCK-IONNQARKSA-N 0 0 349.265 3.359 10 5 EGBERN COc1cc(NCc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1F ZINC000268237389 455627485 /nfs/dbraw/zinc/62/74/85/455627485.db2.gz UBUPNEYQVUOBGZ-UHFFFAOYSA-N 0 0 346.362 3.350 10 5 EGBERN CCN1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277866233 455691269 /nfs/dbraw/zinc/69/12/69/455691269.db2.gz BHVYTDAKYWAQAU-UHFFFAOYSA-N 0 0 349.434 3.261 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000268487402 455695827 /nfs/dbraw/zinc/69/58/27/455695827.db2.gz MWBKPFOANOJQOO-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000277883176 455696287 /nfs/dbraw/zinc/69/62/87/455696287.db2.gz ANBNUJBZUVQQLJ-UHFFFAOYSA-N 0 0 347.762 3.239 10 5 EGBERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000284566036 455706523 /nfs/dbraw/zinc/70/65/23/455706523.db2.gz IIGWPGWRYHEWBR-PRXAMGSTSA-N 0 0 337.395 3.226 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000277974375 455724202 /nfs/dbraw/zinc/72/42/02/455724202.db2.gz LUMLKHJBWPOAGJ-CMPLNLGQSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCCc2cccc(C(F)(F)F)n2)n1 ZINC000292662538 455724679 /nfs/dbraw/zinc/72/46/79/455724679.db2.gz ALJRLJNIIMSZAP-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000271730517 455737553 /nfs/dbraw/zinc/73/75/53/455737553.db2.gz SHHTXQOYZBLQFH-JTQLQIEISA-N 0 0 329.356 3.233 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292754533 455748653 /nfs/dbraw/zinc/74/86/53/455748653.db2.gz KAGBRILPBJFPLZ-GXTWGEPZSA-N 0 0 325.315 3.412 10 5 EGBERN CCOc1cc(N2C[C@H](CO)[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000249437654 455755427 /nfs/dbraw/zinc/75/54/27/455755427.db2.gz IWCBNNKCAXMWLZ-UKRRQHHQSA-N 0 0 348.424 3.267 10 5 EGBERN COc1cc(Cc2noc([C@H]3CC3(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000278133069 455766371 /nfs/dbraw/zinc/76/63/71/455766371.db2.gz RFVCLMKNZWPEIW-LLVKDONJSA-N 0 0 333.344 3.099 10 5 EGBERN CO[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C ZINC000252005468 455802484 /nfs/dbraw/zinc/80/24/84/455802484.db2.gz WYZHLMZHRJDZAQ-LALPHHSUSA-N 0 0 346.387 3.063 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272135085 455855415 /nfs/dbraw/zinc/85/54/15/455855415.db2.gz SWYYUBASVVOCST-JSGCOSHPSA-N 0 0 340.807 3.117 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1SCCS1 ZINC000272186639 455870188 /nfs/dbraw/zinc/87/01/88/455870188.db2.gz RJZLUMWDQATOJI-UHFFFAOYSA-N 0 0 349.231 3.102 10 5 EGBERN CSc1ccc(C(=O)Nc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000194959578 455905330 /nfs/dbraw/zinc/90/53/30/455905330.db2.gz DWYRCMNZDNWIBE-UHFFFAOYSA-N 0 0 334.401 3.422 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000272341323 455920155 /nfs/dbraw/zinc/92/01/55/455920155.db2.gz MQWCQCMQSSAINU-HIFRSBDPSA-N 0 0 335.404 3.164 10 5 EGBERN O=[N+]([O-])c1cc2cnn(Cc3nc(C4CCC4)no3)c2c(Cl)c1 ZINC000601080466 460702056 /nfs/dbraw/zinc/70/20/56/460702056.db2.gz PMLJADNXNDEYNW-UHFFFAOYSA-N 0 0 333.735 3.297 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1C ZINC000187905673 455967230 /nfs/dbraw/zinc/96/72/30/455967230.db2.gz ZWOUFPKIQPYCQZ-ZWNOBZJWSA-N 0 0 334.397 3.307 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000280707286 456035406 /nfs/dbraw/zinc/03/54/06/456035406.db2.gz HKYAYTKYNMRXBP-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000188295782 456037977 /nfs/dbraw/zinc/03/79/77/456037977.db2.gz LWIBAJZWQDROJV-UHFFFAOYSA-N 0 0 349.318 3.073 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@H]2CC(F)F)cc1OC(F)F ZINC000286421514 456044289 /nfs/dbraw/zinc/04/42/89/456044289.db2.gz OPGKCJBGRATZIG-SECBINFHSA-N 0 0 338.257 3.057 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](c2ccccc2)C1 ZINC000601108547 460713813 /nfs/dbraw/zinc/71/38/13/460713813.db2.gz ISGLEFSLBICLRG-LLVKDONJSA-N 0 0 340.305 3.341 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301284192 456081453 /nfs/dbraw/zinc/08/14/53/456081453.db2.gz PWACWLPLBBNBTC-UHFFFAOYSA-N 0 0 342.783 3.065 10 5 EGBERN Cc1cccnc1CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297022982 456094891 /nfs/dbraw/zinc/09/48/91/456094891.db2.gz AJFZFEQRQKTQEE-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CC(C)(C)c1csc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000225683368 456103112 /nfs/dbraw/zinc/10/31/12/456103112.db2.gz HXHUTBNUNQPOQM-UHFFFAOYSA-N 0 0 340.426 3.323 10 5 EGBERN C[C@H]1CC[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301463589 456122152 /nfs/dbraw/zinc/12/21/52/456122152.db2.gz VRHZULBONAHTTQ-UWVGGRQHSA-N 0 0 348.371 3.216 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)c1nc2sccn2c1[N+](=O)[O-] ZINC000301485362 456126909 /nfs/dbraw/zinc/12/69/09/456126909.db2.gz WNOYPZWAYPIFQP-UHFFFAOYSA-N 0 0 349.441 3.276 10 5 EGBERN COc1cc(NC[C@@]2(O)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000301619177 456165073 /nfs/dbraw/zinc/16/50/73/456165073.db2.gz LSFZHBPIXFRABY-SFHVURJKSA-N 0 0 346.358 3.379 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301619809 456165165 /nfs/dbraw/zinc/16/51/65/456165165.db2.gz XJAINRPMKPJARZ-CQSZACIVSA-N 0 0 343.383 3.303 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)Nc2ncccc2[N+](=O)[O-])nc1C ZINC000301625797 456167958 /nfs/dbraw/zinc/16/79/58/456167958.db2.gz ZSNQEUSADXGGDG-SECBINFHSA-N 0 0 336.373 3.105 10 5 EGBERN COc1cc(N2CCN(c3cccs3)CC2)c([N+](=O)[O-])cc1F ZINC000301635329 456170760 /nfs/dbraw/zinc/17/07/60/456170760.db2.gz LDUXPMXJEOFRAK-UHFFFAOYSA-N 0 0 337.376 3.131 10 5 EGBERN COC(=O)c1cc(NCc2cccc([N+](=O)[O-])c2)cc(C)c1[N+](=O)[O-] ZINC000301715191 456196401 /nfs/dbraw/zinc/19/64/01/456196401.db2.gz ZUMOAVMATMQOGF-UHFFFAOYSA-N 0 0 345.311 3.210 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000601131038 460723243 /nfs/dbraw/zinc/72/32/43/460723243.db2.gz FDEQPBHKGOQHOY-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301745775 456204917 /nfs/dbraw/zinc/20/49/17/456204917.db2.gz OSANMBFJPBMGQH-LBPRGKRZSA-N 0 0 348.790 3.343 10 5 EGBERN CCN(Cc1cccc(Cl)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301936597 456254304 /nfs/dbraw/zinc/25/43/04/456254304.db2.gz RMORVUNRCYHIRB-UHFFFAOYSA-N 0 0 331.763 3.317 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000290166691 456257670 /nfs/dbraw/zinc/25/76/70/456257670.db2.gz MHAWWNRJEHXPMI-VXGBXAGGSA-N 0 0 334.376 3.235 10 5 EGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(Cl)c1 ZINC000301961094 456259799 /nfs/dbraw/zinc/25/97/99/456259799.db2.gz HXDJDGMQJBPVLW-JTQLQIEISA-N 0 0 347.762 3.170 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(c4ccc(F)cc4)CC3)nn21 ZINC000301980157 456263374 /nfs/dbraw/zinc/26/33/74/456263374.db2.gz XOWZGDQSVOMZIV-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN COC(=O)c1cc(NC[C@H]2Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000301996630 456266962 /nfs/dbraw/zinc/26/69/62/456266962.db2.gz UAFOBPUSASYRKR-CYBMUJFWSA-N 0 0 326.352 3.442 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000297626032 456267052 /nfs/dbraw/zinc/26/70/52/456267052.db2.gz CKCANSWHCZGVJP-LLVKDONJSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302031177 456272109 /nfs/dbraw/zinc/27/21/09/456272109.db2.gz SEPANCPLTYJRQT-CYBMUJFWSA-N 0 0 337.383 3.179 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297662827 456272727 /nfs/dbraw/zinc/27/27/27/456272727.db2.gz FHLFPTRUIUMTTK-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297749523 456287204 /nfs/dbraw/zinc/28/72/04/456287204.db2.gz LMENLPDYAUWFCS-JTQLQIEISA-N 0 0 332.360 3.014 10 5 EGBERN O=C1OCCN1c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000302108257 456289919 /nfs/dbraw/zinc/28/99/19/456289919.db2.gz YHVLJBOEHXZLPD-UHFFFAOYSA-N 0 0 348.746 3.212 10 5 EGBERN Cc1cnc(C)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000302133656 456295306 /nfs/dbraw/zinc/29/53/06/456295306.db2.gz CMQFZXQXZIONSF-UHFFFAOYSA-N 0 0 328.372 3.049 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)c1 ZINC000302140079 456298079 /nfs/dbraw/zinc/29/80/79/456298079.db2.gz FCOMSXKWDJOAQW-HNNXBMFYSA-N 0 0 348.380 3.021 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(CCCO)c2)c1 ZINC000302204524 456316254 /nfs/dbraw/zinc/31/62/54/456316254.db2.gz WLFPVTSKJFXDAD-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN O=C(NCC[C@H](O)C(F)(F)F)c1cc2ccccc2c2cccnc12 ZINC000337041250 456322519 /nfs/dbraw/zinc/32/25/19/456322519.db2.gz MLORUUNKWXTVRY-HNNXBMFYSA-N 0 0 348.324 3.431 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000340222713 456323462 /nfs/dbraw/zinc/32/34/62/456323462.db2.gz SIUQDKTZHBDPES-MLGOLLRUSA-N 0 0 325.368 3.135 10 5 EGBERN CCOCCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000275925252 456351758 /nfs/dbraw/zinc/35/17/58/456351758.db2.gz YWYDCGJFWZHIMW-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN C[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302610537 456364567 /nfs/dbraw/zinc/36/45/67/456364567.db2.gz BLWPIHYRXXRGFQ-NWDGAFQWSA-N 0 0 326.418 3.379 10 5 EGBERN Cc1cc(NC[C@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000302627654 456366918 /nfs/dbraw/zinc/36/69/18/456366918.db2.gz BHLKBLXJWURCQI-LBPRGKRZSA-N 0 0 331.210 3.485 10 5 EGBERN COCc1cccc(OCC2(Cn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000343057805 456377657 /nfs/dbraw/zinc/37/76/57/456377657.db2.gz UXTSCHIRCWOKKK-UHFFFAOYSA-N 0 0 331.372 3.187 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC000347829963 456389973 /nfs/dbraw/zinc/38/99/73/456389973.db2.gz PCQGRNVXSBIBDH-OAHLLOKOSA-N 0 0 336.351 3.419 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000347837697 456395426 /nfs/dbraw/zinc/39/54/26/456395426.db2.gz BTKMCSPDIYVONU-NXEZZACHSA-N 0 0 348.346 3.486 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000347840584 456398042 /nfs/dbraw/zinc/39/80/42/456398042.db2.gz DMHKWBAAIHVVPV-WCBMZHEXSA-N 0 0 332.278 3.016 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000347855830 456407781 /nfs/dbraw/zinc/40/77/81/456407781.db2.gz UPUIHVVUBSDCLN-GZMMTYOYSA-N 0 0 332.278 3.016 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccc(CN2CCOCC2)c1 ZINC000302818124 456408685 /nfs/dbraw/zinc/40/86/85/456408685.db2.gz MVTVVJCOUVIDHI-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN O=C1CCCN1Cc1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302824353 456411123 /nfs/dbraw/zinc/41/11/23/456411123.db2.gz WRAUIJQDJUVAND-UHFFFAOYSA-N 0 0 343.358 3.468 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347863144 456412976 /nfs/dbraw/zinc/41/29/76/456412976.db2.gz ZSMOOZJEZSDRLP-GHMZBOCLSA-N 0 0 345.321 3.196 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C(F)F ZINC000337605873 456416734 /nfs/dbraw/zinc/41/67/34/456416734.db2.gz VEQAWAGMBCSNAP-AWEZNQCLSA-N 0 0 341.358 3.433 10 5 EGBERN COc1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329651 456426670 /nfs/dbraw/zinc/42/66/70/456426670.db2.gz RKVHOONAFHRSQM-UONOGXRCSA-N 0 0 330.306 3.220 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1OC[C@H](O)CC(F)(F)F ZINC000276322908 456446144 /nfs/dbraw/zinc/44/61/44/456446144.db2.gz FPYJYUZSKLUJJC-SSDOTTSWSA-N 0 0 344.083 3.049 10 5 EGBERN O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000303593052 456470350 /nfs/dbraw/zinc/47/03/50/456470350.db2.gz SQBNKNFMCDPXFR-HNNXBMFYSA-N 0 0 329.331 3.341 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000348129115 456503110 /nfs/dbraw/zinc/50/31/10/456503110.db2.gz UNWNNIONNFSJFC-NSHDSACASA-N 0 0 327.262 3.214 10 5 EGBERN CN(Cc1ccc(F)cc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000337721408 456506217 /nfs/dbraw/zinc/50/62/17/456506217.db2.gz WELVSOVZMKVESM-UHFFFAOYSA-N 0 0 341.346 3.166 10 5 EGBERN CC(C)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291240111 456575176 /nfs/dbraw/zinc/57/51/76/456575176.db2.gz LEKPWSJTTYEUBR-GFCCVEGCSA-N 0 0 343.221 3.357 10 5 EGBERN CCOc1cc(NC(=O)[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1OCC ZINC000337900893 456592824 /nfs/dbraw/zinc/59/28/24/456592824.db2.gz QBQVWQHUTLXFPB-IUCAKERBSA-N 0 0 344.314 3.232 10 5 EGBERN Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000340840919 456712413 /nfs/dbraw/zinc/71/24/13/456712413.db2.gz FXNDNYJIIJUQHT-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc(F)cc3)no2)cn1 ZINC000343597489 456732550 /nfs/dbraw/zinc/73/25/50/456732550.db2.gz HUKASTCXBXMBGQ-UHFFFAOYSA-N 0 0 343.318 3.224 10 5 EGBERN Cc1cc(NC[C@@H](CO)c2cccnc2)c2cccc([N+](=O)[O-])c2n1 ZINC000340925712 456765478 /nfs/dbraw/zinc/76/54/78/456765478.db2.gz DRVPYVXKLVFKSC-AWEZNQCLSA-N 0 0 338.367 3.034 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(Cl)c(Cl)c1 ZINC000301080649 456791202 /nfs/dbraw/zinc/79/12/02/456791202.db2.gz IVHVCTUXYMLZFH-UHFFFAOYSA-N 0 0 328.111 3.188 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301106446 456798284 /nfs/dbraw/zinc/79/82/84/456798284.db2.gz SDTQFIODRPSWIB-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(Cl)cc1 ZINC000301120213 456801192 /nfs/dbraw/zinc/80/11/92/456801192.db2.gz RLOOYFDWWSMWIB-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301134166 456804894 /nfs/dbraw/zinc/80/48/94/456804894.db2.gz WPLUKYZJCIKFEJ-GFCCVEGCSA-N 0 0 337.395 3.111 10 5 EGBERN CO[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000349192196 456908703 /nfs/dbraw/zinc/90/87/03/456908703.db2.gz AZOWJBPLXOBUSK-NSHDSACASA-N 0 0 334.294 3.014 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000341727886 456918136 /nfs/dbraw/zinc/91/81/36/456918136.db2.gz OKDGJGPNASKXQF-ZETCQYMHSA-N 0 0 331.191 3.049 10 5 EGBERN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000339088698 456935295 /nfs/dbraw/zinc/93/52/95/456935295.db2.gz ZXCNSCVKAJDHQL-SOZUMNATSA-N 0 0 328.368 3.343 10 5 EGBERN O=C(Nc1cnccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000341824706 456959827 /nfs/dbraw/zinc/95/98/27/456959827.db2.gz OXPHTROJWLUOCT-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN CO[C@H](C)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353908232 456961061 /nfs/dbraw/zinc/96/10/61/456961061.db2.gz UHJCGBNDNTYJPI-CHWSQXEVSA-N 0 0 340.445 3.347 10 5 EGBERN COc1ncc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000345799853 456995108 /nfs/dbraw/zinc/99/51/08/456995108.db2.gz BQINYIBNWWEPMV-UHFFFAOYSA-N 0 0 349.774 3.317 10 5 EGBERN Cc1cn2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc2n1 ZINC000339261483 457026771 /nfs/dbraw/zinc/02/67/71/457026771.db2.gz FUKMBGBLBINWNS-UHFFFAOYSA-N 0 0 349.350 3.144 10 5 EGBERN C[C@@H]1N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000346605252 457072959 /nfs/dbraw/zinc/07/29/59/457072959.db2.gz MMNXBZTUESEYFC-AWEZNQCLSA-N 0 0 346.427 3.290 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000342054873 457082080 /nfs/dbraw/zinc/08/20/80/457082080.db2.gz APJYXSAWRYPEAH-UHFFFAOYSA-N 0 0 335.385 3.091 10 5 EGBERN C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356618011 457086305 /nfs/dbraw/zinc/08/63/05/457086305.db2.gz MHCVWOZEPNXNOD-QGHHPUGFSA-N 0 0 337.335 3.328 10 5 EGBERN CCOc1nc(C)ccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000359933067 457156874 /nfs/dbraw/zinc/15/68/74/457156874.db2.gz JATAIQGKYHONTJ-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN COc1c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356862280 457184621 /nfs/dbraw/zinc/18/46/21/457184621.db2.gz JSBJKUQNWCDQFE-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN CC[C@@H](NCc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000342265978 457199802 /nfs/dbraw/zinc/19/98/02/457199802.db2.gz LVEOFPVVGUYSNX-LLVKDONJSA-N 0 0 344.293 3.324 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(OC[C@@H]2CCCO2)c1 ZINC000342272097 457203171 /nfs/dbraw/zinc/20/31/71/457203171.db2.gz JTYATWGQNYHZRG-INIZCTEOSA-N 0 0 343.383 3.468 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347086357 457223543 /nfs/dbraw/zinc/22/35/43/457223543.db2.gz JJJPHKWHHQXNHQ-KPZWWZAWSA-N 0 0 326.352 3.023 10 5 EGBERN CNC(=O)C[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000360090246 457250424 /nfs/dbraw/zinc/25/04/24/457250424.db2.gz OMCIQCNHYPFGCS-CQSZACIVSA-N 0 0 331.347 3.332 10 5 EGBERN CCc1nc([C@H]2CCCCN2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000360107050 457258481 /nfs/dbraw/zinc/25/84/81/457258481.db2.gz FBNDHJSQNKPMNE-OAHLLOKOSA-N 0 0 346.387 3.146 10 5 EGBERN CCc1noc(C)c1-c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000347247172 457308786 /nfs/dbraw/zinc/30/87/86/457308786.db2.gz JZXVCLHYOMRFSZ-UHFFFAOYSA-N 0 0 344.327 3.391 10 5 EGBERN O=C1[C@H](N2CC3(CC3)c3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360494934 457315243 /nfs/dbraw/zinc/31/52/43/457315243.db2.gz IGZZSWKMXBQMCD-GOSISDBHSA-N 0 0 349.390 3.252 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc2ccccc2n1 ZINC000357176668 457359544 /nfs/dbraw/zinc/35/95/44/457359544.db2.gz UFAINUCZLLFWSJ-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc2ccccc2c2cccnc12 ZINC000378312226 457389797 /nfs/dbraw/zinc/38/97/97/457389797.db2.gz QZSTXZFDEQIJTQ-AWEZNQCLSA-N 0 0 342.402 3.398 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000425004602 457403208 /nfs/dbraw/zinc/40/32/08/457403208.db2.gz NWXFWSGQKSNCMX-SJLPKXTDSA-N 0 0 344.342 3.036 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000360881468 457403750 /nfs/dbraw/zinc/40/37/50/457403750.db2.gz BBXKBIUIJHPWSX-MFKMUULPSA-N 0 0 346.305 3.163 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H](F)Cc3ccccc3)n2)nc1 ZINC000357329548 457449585 /nfs/dbraw/zinc/44/95/85/457449585.db2.gz CYCGFJVDOVDCLM-AWEZNQCLSA-N 0 0 328.303 3.217 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356117277 457461529 /nfs/dbraw/zinc/46/15/29/457461529.db2.gz CJRGPWWYYXQKIE-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000364110047 457482763 /nfs/dbraw/zinc/48/27/63/457482763.db2.gz FAPJQPRZNDEBPW-TUKIKUTGSA-N 0 0 329.356 3.045 10 5 EGBERN Cc1cc(C)n([C@H](C)c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)n1 ZINC000357383047 457483771 /nfs/dbraw/zinc/48/37/71/457483771.db2.gz FUIYNAVICOCCRH-CYBMUJFWSA-N 0 0 341.371 3.300 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ncsc1Br ZINC000361025486 457521722 /nfs/dbraw/zinc/52/17/22/457521722.db2.gz BJNWZVOVJQSTNY-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN CCOc1ccc(-c2nc(-c3cccnc3OC)no2)cc1[N+](=O)[O-] ZINC000356222340 457546005 /nfs/dbraw/zinc/54/60/05/457546005.db2.gz KBFATFGBBMCVAT-UHFFFAOYSA-N 0 0 342.311 3.114 10 5 EGBERN COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1O ZINC000352722900 457558859 /nfs/dbraw/zinc/55/88/59/457558859.db2.gz GPKRCRIQNGLDTI-UHFFFAOYSA-N 0 0 330.340 3.225 10 5 EGBERN C[C@H]1c2ccccc2CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072191 457562435 /nfs/dbraw/zinc/56/24/35/457562435.db2.gz FPBNCEIRLYTYLR-SCLBCKFNSA-N 0 0 337.379 3.277 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](F)C1 ZINC000425472601 457567754 /nfs/dbraw/zinc/56/77/54/457567754.db2.gz JQBFPKMJFFOHEV-VXGBXAGGSA-N 0 0 332.335 3.247 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000374540271 457652637 /nfs/dbraw/zinc/65/26/37/457652637.db2.gz WSFDTBYVMNPLCR-ROUUACIJSA-N 0 0 330.359 3.199 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN3c3nccs3)n2)cc1 ZINC000364604363 457656393 /nfs/dbraw/zinc/65/63/93/457656393.db2.gz IUMLUMLOXPYKEK-LBPRGKRZSA-N 0 0 343.368 3.443 10 5 EGBERN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000361249359 457666129 /nfs/dbraw/zinc/66/61/29/457666129.db2.gz FRAZDVJBZIXRDQ-OAHLLOKOSA-N 0 0 333.413 3.329 10 5 EGBERN Cc1ccncc1CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000357842277 457708699 /nfs/dbraw/zinc/70/86/99/457708699.db2.gz AIXIXMAOBBDHSN-UHFFFAOYSA-N 0 0 345.374 3.374 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])CCC2 ZINC000365036898 457725470 /nfs/dbraw/zinc/72/54/70/457725470.db2.gz GMXSOEYGULOLFF-LBPRGKRZSA-N 0 0 335.360 3.306 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(F)c2C1 ZINC000374983468 457745065 /nfs/dbraw/zinc/74/50/65/457745065.db2.gz WZJGRBPNBDQZMF-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000410701024 457746567 /nfs/dbraw/zinc/74/65/67/457746567.db2.gz AKZWBFLRMONJGU-MRVPVSSYSA-N 0 0 341.289 3.400 10 5 EGBERN CCN(c1cccc(C)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443687092 457804235 /nfs/dbraw/zinc/80/42/35/457804235.db2.gz XGNQBHHUGSYQJA-UHFFFAOYSA-N 0 0 334.397 3.260 10 5 EGBERN CCC1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443705665 457805495 /nfs/dbraw/zinc/80/54/95/457805495.db2.gz GWJNCUNTXOMAOU-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1 ZINC000433408171 457829949 /nfs/dbraw/zinc/82/99/49/457829949.db2.gz AOSJXDZCXVCNSE-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN CCOC(C)(C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000444521746 457903947 /nfs/dbraw/zinc/90/39/47/457903947.db2.gz MZTCLKDEVLRNMK-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000427178000 457954568 /nfs/dbraw/zinc/95/45/68/457954568.db2.gz NDHBGGALACLAEH-HNNXBMFYSA-N 0 0 342.399 3.351 10 5 EGBERN O=C(NCc1ccncc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444827341 457986086 /nfs/dbraw/zinc/98/60/86/457986086.db2.gz RGDDSVDKLJPQED-UHFFFAOYSA-N 0 0 329.359 3.006 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427449480 457988249 /nfs/dbraw/zinc/98/82/49/457988249.db2.gz HNBGNVKGTHXHSE-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000427637205 458012033 /nfs/dbraw/zinc/01/20/33/458012033.db2.gz OLDDJMVVOKBAIT-LBPRGKRZSA-N 0 0 344.367 3.012 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000445309977 458039974 /nfs/dbraw/zinc/03/99/74/458039974.db2.gz LWOLSNSCPLBCPM-UHFFFAOYSA-N 0 0 336.351 3.428 10 5 EGBERN COc1cc(CN(CCCO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000362313196 458100701 /nfs/dbraw/zinc/10/07/01/458100701.db2.gz BREIXDGZFICYGR-UHFFFAOYSA-N 0 0 334.347 3.132 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000375913387 458122333 /nfs/dbraw/zinc/12/23/33/458122333.db2.gz IUALFQMCUKGJMK-LBPRGKRZSA-N 0 0 342.399 3.290 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cn1 ZINC000435624154 458174282 /nfs/dbraw/zinc/17/42/82/458174282.db2.gz WSTSBPKLZDPIJS-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN COc1cccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435810209 458207529 /nfs/dbraw/zinc/20/75/29/458207529.db2.gz RMEXTFWTEISIPG-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)nc1 ZINC000435902818 458221142 /nfs/dbraw/zinc/22/11/42/458221142.db2.gz OEUXQQYALNLCEF-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN COc1cccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000435987254 458232243 /nfs/dbraw/zinc/23/22/43/458232243.db2.gz UQAYZBPGLQTBGY-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN O=c1[nH]c(N[C@H]2C[C@H](c3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376432939 458298729 /nfs/dbraw/zinc/29/87/29/458298729.db2.gz BXUJDGRIHNICGS-JOCQHMNTSA-N 0 0 336.351 3.024 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372905557 458345346 /nfs/dbraw/zinc/34/53/46/458345346.db2.gz XCHWPJAHYQAOQK-IYBDPMFKSA-N 0 0 331.419 3.355 10 5 EGBERN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000376805381 458392904 /nfs/dbraw/zinc/39/29/04/458392904.db2.gz UYIUBYHXYBYNKT-HUUCEWRRSA-N 0 0 342.399 3.045 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249184 458428391 /nfs/dbraw/zinc/42/83/91/458428391.db2.gz IBAWZDGNFJWOEZ-ZXFNITATSA-N 0 0 334.416 3.314 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000430678750 458479190 /nfs/dbraw/zinc/47/91/90/458479190.db2.gz KEJHXAHSTFLORV-CYBMUJFWSA-N 0 0 346.383 3.321 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000460193236 458504670 /nfs/dbraw/zinc/50/46/70/458504670.db2.gz NALBIKZHGBCCEQ-STQMWFEESA-N 0 0 329.404 3.498 10 5 EGBERN CCn1c(CCC(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460303885 458509338 /nfs/dbraw/zinc/50/93/38/458509338.db2.gz JCVIOIXGXQNRDS-UHFFFAOYSA-N 0 0 345.447 3.474 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCSC2)cc(Br)cc1[N+](=O)[O-] ZINC000431181770 458540732 /nfs/dbraw/zinc/54/07/32/458540732.db2.gz LDCGCGSNQJQWFH-QMMMGPOBSA-N 0 0 345.218 3.357 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496893 458587249 /nfs/dbraw/zinc/58/72/49/458587249.db2.gz YZLSBIMVTYCGPN-LJQANCHMSA-N 0 0 339.395 3.197 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000494149583 458633848 /nfs/dbraw/zinc/63/38/48/458633848.db2.gz PQXRPQXGDXQEGE-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN CCOc1ccc(C(=O)N(CCOC)c2ccccc2)cc1[N+](=O)[O-] ZINC000456386159 458658687 /nfs/dbraw/zinc/65/86/87/458658687.db2.gz JOHIGRNEJXRFMO-UHFFFAOYSA-N 0 0 344.367 3.287 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000471330747 458689422 /nfs/dbraw/zinc/68/94/22/458689422.db2.gz KWLBTVKCWRYSSB-UONOGXRCSA-N 0 0 328.368 3.487 10 5 EGBERN CCCc1ncc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000456509897 458697504 /nfs/dbraw/zinc/69/75/04/458697504.db2.gz UTNBDIUZDPUNRQ-UHFFFAOYSA-N 0 0 329.312 3.212 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2ccc(CC)c(OC)c2)c1[N+](=O)[O-] ZINC000456595069 458724223 /nfs/dbraw/zinc/72/42/23/458724223.db2.gz LSWUIYTZABWHHE-UHFFFAOYSA-N 0 0 332.360 3.094 10 5 EGBERN CN1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000456596009 458725701 /nfs/dbraw/zinc/72/57/01/458725701.db2.gz NJIDYTJLYOERJG-MRXNPFEDSA-N 0 0 339.395 3.225 10 5 EGBERN CCc1ccc(C(=O)Nc2ccccc2N(C)C(C)=O)cc1[N+](=O)[O-] ZINC000471925424 458752581 /nfs/dbraw/zinc/75/25/81/458752581.db2.gz SCZSNBHUMAXUBP-UHFFFAOYSA-N 0 0 341.367 3.392 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCCc2cccnc21 ZINC000548144262 458845240 /nfs/dbraw/zinc/84/52/40/458845240.db2.gz DRQFIXOXBQLQQI-OAHLLOKOSA-N 0 0 342.399 3.258 10 5 EGBERN COCc1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cc1 ZINC000440724859 458847188 /nfs/dbraw/zinc/84/71/88/458847188.db2.gz IUZRFTKMVWZVCG-UHFFFAOYSA-N 0 0 344.367 3.448 10 5 EGBERN Cc1cccc(C)c1OCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495455858 458861103 /nfs/dbraw/zinc/86/11/03/458861103.db2.gz SXZFULOKKUMNKZ-UHFFFAOYSA-N 0 0 341.411 3.434 10 5 EGBERN COC(=O)c1cc(NC[C@@](C)(O)CCC(C)C)cc(C)c1[N+](=O)[O-] ZINC000474773358 458900331 /nfs/dbraw/zinc/90/03/31/458900331.db2.gz HYUIIJOPFKOHFF-KRWDZBQOSA-N 0 0 338.404 3.289 10 5 EGBERN COCc1nc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)co1 ZINC000556486640 458965088 /nfs/dbraw/zinc/96/50/88/458965088.db2.gz FPZJGGAPCAPRMT-UHFFFAOYSA-N 0 0 333.344 3.279 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cc(Cl)ccc2O1 ZINC000531882569 458994125 /nfs/dbraw/zinc/99/41/25/458994125.db2.gz DZDXSWPFRGZQAC-VIFPVBQESA-N 0 0 333.731 3.071 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000442678768 459023849 /nfs/dbraw/zinc/02/38/49/459023849.db2.gz KZNPNPVFHWLYPG-ZWNOBZJWSA-N 0 0 344.371 3.359 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000577530817 459047923 /nfs/dbraw/zinc/04/79/23/459047923.db2.gz RRSQYLNSAHPFSF-INIZCTEOSA-N 0 0 340.383 3.006 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594485607 459055957 /nfs/dbraw/zinc/05/59/57/459055957.db2.gz ARMQZAVOKXUBKV-JTQLQIEISA-N 0 0 348.371 3.087 10 5 EGBERN CN(C)c1nc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ns1 ZINC000520436997 459060568 /nfs/dbraw/zinc/06/05/68/459060568.db2.gz MWHFWMYFOBTIOU-UHFFFAOYSA-N 0 0 335.433 3.422 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1cscn1)c1ccccc1 ZINC000532392242 459078840 /nfs/dbraw/zinc/07/88/40/459078840.db2.gz RWPOBKNFWJABLY-UHFFFAOYSA-N 0 0 340.364 3.293 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532396800 459080144 /nfs/dbraw/zinc/08/01/44/459080144.db2.gz OUHBCPPNNPWDOB-QGZVFWFLSA-N 0 0 345.374 3.468 10 5 EGBERN CCOC(=O)c1ccnc(NC[C@@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000594598465 459104914 /nfs/dbraw/zinc/10/49/14/459104914.db2.gz HJFANUMJDGLHIK-LBPRGKRZSA-N 0 0 349.387 3.070 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCC(F)(F)CC1 ZINC000594601315 459106175 /nfs/dbraw/zinc/10/61/75/459106175.db2.gz ODEIFKDZOZBQMU-VIFPVBQESA-N 0 0 329.347 3.295 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000590349892 459118851 /nfs/dbraw/zinc/11/88/51/459118851.db2.gz NKDPMXIMWRDTFX-KBPBESRZSA-N 0 0 343.408 3.245 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590403116 459124917 /nfs/dbraw/zinc/12/49/17/459124917.db2.gz XQYFZQBYBJEEMN-CYBMUJFWSA-N 0 0 341.367 3.018 10 5 EGBERN CN1CCO[C@H](CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000578009561 459132102 /nfs/dbraw/zinc/13/21/02/459132102.db2.gz YIEQKBAFFBLIQQ-JTQLQIEISA-N 0 0 336.335 3.036 10 5 EGBERN CCOC(=O)c1ccnc(NCc2oc(C(C)C)nc2C)c1[N+](=O)[O-] ZINC000590567661 459150622 /nfs/dbraw/zinc/15/06/22/459150622.db2.gz AQNHODXSMJEWKW-UHFFFAOYSA-N 0 0 348.359 3.198 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000558427516 459158079 /nfs/dbraw/zinc/15/80/79/459158079.db2.gz SWKAXELPDZVEHD-NXEZZACHSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1ncc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC000578250642 459170684 /nfs/dbraw/zinc/17/06/84/459170684.db2.gz NICHOKCJTJXAGH-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN COc1cc(CNc2ccc3c(c2)CCOC3)c([N+](=O)[O-])cc1OC ZINC000594978559 459203226 /nfs/dbraw/zinc/20/32/26/459203226.db2.gz FAIYVKKFRMBKAZ-UHFFFAOYSA-N 0 0 344.367 3.297 10 5 EGBERN CC(C)(C)C(=O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000568018506 459209280 /nfs/dbraw/zinc/20/92/80/459209280.db2.gz HMYAHHFZYTXNOO-UHFFFAOYSA-N 0 0 336.391 3.026 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000558787767 459210711 /nfs/dbraw/zinc/21/07/11/459210711.db2.gz ZVIKURYQAPNHCU-RYUDHWBXSA-N 0 0 336.388 3.387 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cc(C)cc(OCCO)c1 ZINC000595052491 459229488 /nfs/dbraw/zinc/22/94/88/459229488.db2.gz XSWHQUAONURKIX-ZDUSSCGKSA-N 0 0 346.383 3.456 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595280111 459266700 /nfs/dbraw/zinc/26/67/00/459266700.db2.gz YKKCFBRHNBNVAD-WBVHZDCISA-N 0 0 332.400 3.450 10 5 EGBERN CCOC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000522903258 459271288 /nfs/dbraw/zinc/27/12/88/459271288.db2.gz CAHNUWZEOWCMMC-UHFFFAOYSA-N 0 0 335.747 3.432 10 5 EGBERN CCCN(Cc1ccc(C)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000568346380 459271501 /nfs/dbraw/zinc/27/15/01/459271501.db2.gz OGPFLTYJBILNEO-UHFFFAOYSA-N 0 0 330.388 3.172 10 5 EGBERN CC(C)[C@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000523515422 459311240 /nfs/dbraw/zinc/31/12/40/459311240.db2.gz IAQMERJQYSWESO-GFCCVEGCSA-N 0 0 330.388 3.263 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595481539 459319275 /nfs/dbraw/zinc/31/92/75/459319275.db2.gz PNLGEXPRVBFKAO-BXKDBHETSA-N 0 0 327.331 3.246 10 5 EGBERN COC(=O)c1cccc(CCNc2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000534342098 459319488 /nfs/dbraw/zinc/31/94/88/459319488.db2.gz GHJYAKXQNAMVLR-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN C[C@]12CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]1C2(F)F ZINC000591163006 459326791 /nfs/dbraw/zinc/32/67/91/459326791.db2.gz CZADJFBABQJRKN-KOLCDFICSA-N 0 0 337.248 3.490 10 5 EGBERN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000568783210 459345084 /nfs/dbraw/zinc/34/50/84/459345084.db2.gz PRLWZTWHDIGKIG-NVXWUHKLSA-N 0 0 332.400 3.450 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000591319869 459354032 /nfs/dbraw/zinc/35/40/32/459354032.db2.gz JDKVHYHXIVXTNG-KRZKBDHCSA-N 0 0 346.412 3.478 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](O)CC23CCC3)cc1C(F)(F)F ZINC000591464202 459386253 /nfs/dbraw/zinc/38/62/53/459386253.db2.gz KMJJTBBXLUIWLC-LLVKDONJSA-N 0 0 330.306 3.497 10 5 EGBERN CC(C)(C)OCCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000524838912 459398782 /nfs/dbraw/zinc/39/87/82/459398782.db2.gz JVVJOJJPIMBCJB-UHFFFAOYSA-N 0 0 337.420 3.032 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@]1(C)CC1(F)F ZINC000595778759 459435911 /nfs/dbraw/zinc/43/59/11/459435911.db2.gz UWKYGUZTQWNVTE-HNNXBMFYSA-N 0 0 341.358 3.214 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)c1C ZINC000541312954 459442841 /nfs/dbraw/zinc/44/28/41/459442841.db2.gz OXWLJZONPLOODE-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000595798508 459445082 /nfs/dbraw/zinc/44/50/82/459445082.db2.gz DUCMLXFYWZJLCD-ZDUSSCGKSA-N 0 0 341.358 3.070 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000485407387 459453497 /nfs/dbraw/zinc/45/34/97/459453497.db2.gz GVQLOXUOAKVMLU-MRXNPFEDSA-N 0 0 343.358 3.411 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC(C(C)(C)C)C1 ZINC000569475861 459459347 /nfs/dbraw/zinc/45/93/47/459459347.db2.gz CYBZPADGNYDQTO-UHFFFAOYSA-N 0 0 326.418 3.006 10 5 EGBERN COC(=O)c1cccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000591889189 459468960 /nfs/dbraw/zinc/46/89/60/459468960.db2.gz KQRCURAPAZPCRF-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888207 459475218 /nfs/dbraw/zinc/47/52/18/459475218.db2.gz CVMUDOROPANFRK-SMDDNHRTSA-N 0 0 348.321 3.015 10 5 EGBERN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891883 459478162 /nfs/dbraw/zinc/47/81/62/459478162.db2.gz QKCJLTBSRQBHGL-FZMZJTMJSA-N 0 0 332.322 3.179 10 5 EGBERN CC[C@H]1[C@@H](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569657940 459486484 /nfs/dbraw/zinc/48/64/84/459486484.db2.gz RCEQKJNUPSMSJC-SJCJKPOMSA-N 0 0 344.415 3.449 10 5 EGBERN Cc1cnc(CCN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)s1 ZINC000591926153 459488129 /nfs/dbraw/zinc/48/81/29/459488129.db2.gz ZSEXPEDDWDULTL-UHFFFAOYSA-N 0 0 332.429 3.312 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCOCC3(CCCC3)C1)CCCC2 ZINC000591932501 459490491 /nfs/dbraw/zinc/49/04/91/459490491.db2.gz URYBKDBSPPTSKB-UHFFFAOYSA-N 0 0 331.416 3.266 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCc2csc(N(C)C3CC3)n2)c1 ZINC000583144264 459491318 /nfs/dbraw/zinc/49/13/18/459491318.db2.gz YKUVVBCYLPTHSC-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN Cc1cc(NC[C@@H](C)CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591963502 459499126 /nfs/dbraw/zinc/49/91/26/459499126.db2.gz FUDUEOOMYMXABF-JTQLQIEISA-N 0 0 336.342 3.485 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000591972252 459500872 /nfs/dbraw/zinc/50/08/72/459500872.db2.gz QHMYCIJFZVSMKL-UHFFFAOYSA-N 0 0 342.417 3.207 10 5 EGBERN CC[C@@H](NC(=O)N(CC)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000591976919 459502960 /nfs/dbraw/zinc/50/29/60/459502960.db2.gz TWVYAOIZJHYSIE-CQSZACIVSA-N 0 0 325.434 3.440 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC ZINC000486651244 459512496 /nfs/dbraw/zinc/51/24/96/459512496.db2.gz MOLWTPHXYXIEAY-CULMDFNYSA-N 0 0 349.387 3.312 10 5 EGBERN COCCCCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596096885 459520042 /nfs/dbraw/zinc/52/00/42/459520042.db2.gz KIFMCRNTUITKLD-UHFFFAOYSA-N 0 0 330.768 3.263 10 5 EGBERN COCC[C@H](COC)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000562236459 459521212 /nfs/dbraw/zinc/52/12/12/459521212.db2.gz ABFXOLZJDZDOBV-CYBMUJFWSA-N 0 0 326.393 3.236 10 5 EGBERN C[C@H](C(=O)NCCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000562400702 459554754 /nfs/dbraw/zinc/55/47/54/459554754.db2.gz GRTRDWUJJOPDPA-GRDNDAEWSA-N 0 0 334.416 3.146 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)c1ncc[nH]1 ZINC000596202046 459559124 /nfs/dbraw/zinc/55/91/24/459559124.db2.gz PYNRDTNKVJACAF-QMMMGPOBSA-N 0 0 338.751 3.321 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CSC2(C)C)ccc1[N+](=O)[O-] ZINC000596203407 459559862 /nfs/dbraw/zinc/55/98/62/459559862.db2.gz FKRQPQQRZNAFOV-VIFPVBQESA-N 0 0 330.793 3.341 10 5 EGBERN COc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223610 459565364 /nfs/dbraw/zinc/56/53/64/459565364.db2.gz PTKKESKTPSHDBO-BJOHPYRUSA-N 0 0 326.780 3.261 10 5 EGBERN COc1cc(N2CC[C@@H](n3cc(C)cn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596236769 459569981 /nfs/dbraw/zinc/56/99/81/459569981.db2.gz QORPBQYOJVPDKI-LLVKDONJSA-N 0 0 336.779 3.213 10 5 EGBERN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[C@H]1C ZINC000596247684 459574168 /nfs/dbraw/zinc/57/41/68/459574168.db2.gz KQAWAQYXWUCGOT-RQJHMYQMSA-N 0 0 325.237 3.489 10 5 EGBERN Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c(C)[nH+]1 ZINC000583666077 459576934 /nfs/dbraw/zinc/57/69/34/459576934.db2.gz CIUVLVRDCBNGLI-UHFFFAOYSA-N 0 0 330.340 3.361 10 5 EGBERN CCCCc1nc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC000592360476 459579656 /nfs/dbraw/zinc/57/96/56/459579656.db2.gz MCVVIFOOCXTRIN-UHFFFAOYSA-N 0 0 347.440 3.483 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)c2csnn2)ccc1[N+](=O)[O-] ZINC000596272717 459581112 /nfs/dbraw/zinc/58/11/12/459581112.db2.gz DYSNIDPNVNLIQB-LURJTMIESA-N 0 0 342.764 3.059 10 5 EGBERN CC(C)C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596280092 459582314 /nfs/dbraw/zinc/58/23/14/459582314.db2.gz AHNRLMMAUIYWQG-LLVKDONJSA-N 0 0 339.392 3.111 10 5 EGBERN COC[C@@H](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)OC ZINC000596319540 459594789 /nfs/dbraw/zinc/59/47/89/459594789.db2.gz AVTBQGACAPLJBJ-CYBMUJFWSA-N 0 0 326.393 3.236 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592516121 459620367 /nfs/dbraw/zinc/62/03/67/459620367.db2.gz XYXPJZAYXWPKII-GLPPDTDBSA-N 0 0 344.333 3.243 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1Cl ZINC000573133343 459631074 /nfs/dbraw/zinc/63/10/74/459631074.db2.gz ROZVNFSHCJJMGP-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])s1 ZINC000596425020 459633528 /nfs/dbraw/zinc/63/35/28/459633528.db2.gz XCDXJTMOSACBLB-HNNXBMFYSA-N 0 0 347.440 3.143 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)s1 ZINC000596440290 459636969 /nfs/dbraw/zinc/63/69/69/459636969.db2.gz BXTFPGDLWOBXOK-ZETCQYMHSA-N 0 0 345.306 3.202 10 5 EGBERN COCCN(CCF)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596447315 459639568 /nfs/dbraw/zinc/63/95/68/459639568.db2.gz RAZICRVTCIEFLF-UHFFFAOYSA-N 0 0 337.326 3.218 10 5 EGBERN C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000596447722 459639857 /nfs/dbraw/zinc/63/98/57/459639857.db2.gz QQPRIWABOSUCIC-RKDXNWHRSA-N 0 0 327.178 3.019 10 5 EGBERN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)[C@H]1O ZINC000596470106 459647910 /nfs/dbraw/zinc/64/79/10/459647910.db2.gz QZYKGBLNXYKYTC-HBYGRHMLSA-N 0 0 333.413 3.171 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000596475441 459649992 /nfs/dbraw/zinc/64/99/92/459649992.db2.gz BRGZFNZHDJCTTQ-LBPRGKRZSA-N 0 0 334.706 3.492 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596476374 459650552 /nfs/dbraw/zinc/65/05/52/459650552.db2.gz HUNADZIDCAJLAO-AWEZNQCLSA-N 0 0 328.315 3.158 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596482011 459652125 /nfs/dbraw/zinc/65/21/25/459652125.db2.gz CTVSDHKUBXTMFG-LLVKDONJSA-N 0 0 337.351 3.299 10 5 EGBERN CC(=O)c1ccc(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000596486540 459652825 /nfs/dbraw/zinc/65/28/25/459652825.db2.gz MLQGXXVSFFMMKI-HZPDHXFCSA-N 0 0 342.399 3.354 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596486610 459653259 /nfs/dbraw/zinc/65/32/59/459653259.db2.gz AVZDNXGFXWAAGE-DGCLKSJQSA-N 0 0 335.795 3.200 10 5 EGBERN NC(=O)c1ccc(NC2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000596501868 459657825 /nfs/dbraw/zinc/65/78/25/459657825.db2.gz RDSOMROWDXBJLH-UHFFFAOYSA-N 0 0 325.315 3.074 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596500289 459658252 /nfs/dbraw/zinc/65/82/52/459658252.db2.gz AFADCCZGSHYOSX-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000596502880 459658966 /nfs/dbraw/zinc/65/89/66/459658966.db2.gz HBWRISOEWOEIAJ-CABZTGNLSA-N 0 0 347.293 3.168 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000596503857 459659220 /nfs/dbraw/zinc/65/92/20/459659220.db2.gz RXUASRVZFDCQRH-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN Cc1ccnc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121140 459660923 /nfs/dbraw/zinc/66/09/23/459660923.db2.gz BMFGCNHVDYBWDM-ZDUSSCGKSA-N 0 0 337.383 3.164 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1C[C@H](O)C12CCC2 ZINC000596513282 459662398 /nfs/dbraw/zinc/66/23/98/459662398.db2.gz UFQHTGHATNQFAI-NEPJUHHUSA-N 0 0 327.178 3.073 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](C3CCC3)C2)s1 ZINC000596525089 459665596 /nfs/dbraw/zinc/66/55/96/459665596.db2.gz IQCLSYCUFATCIU-LLVKDONJSA-N 0 0 344.458 3.076 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@@H]3C2)nc1-c1ccccc1 ZINC000596528661 459668262 /nfs/dbraw/zinc/66/82/62/459668262.db2.gz NWOZEYXEVYSOCS-GJZGRUSLSA-N 0 0 325.368 3.130 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(C)(C(C)C)CC2)c1[N+](=O)[O-] ZINC000573395028 459670014 /nfs/dbraw/zinc/67/00/14/459670014.db2.gz MRULBOYXMBCYHJ-UHFFFAOYSA-N 0 0 335.404 3.347 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000584184558 459677181 /nfs/dbraw/zinc/67/71/81/459677181.db2.gz NKXDIGCLSGJYLB-SFHVURJKSA-N 0 0 343.358 3.104 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC000592729308 459677827 /nfs/dbraw/zinc/67/78/27/459677827.db2.gz KLUPEJYNNUGOPK-LLVKDONJSA-N 0 0 338.791 3.340 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@](C)(C(F)F)O1 ZINC000596573323 459682077 /nfs/dbraw/zinc/68/20/77/459682077.db2.gz KNGHCDUADUYUQJ-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572613 459682426 /nfs/dbraw/zinc/68/24/26/459682426.db2.gz NVXDXAHOGDOYAX-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN Cc1cc(Cc2noc(C[C@H](C)[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596589387 459685981 /nfs/dbraw/zinc/68/59/81/459685981.db2.gz DGJVIYAWNRGGDQ-SWLSCSKDSA-N 0 0 331.372 3.235 10 5 EGBERN CO[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CCC1 ZINC000596601955 459693610 /nfs/dbraw/zinc/69/36/10/459693610.db2.gz JJQLQSRVJZMEDX-HNNXBMFYSA-N 0 0 344.371 3.491 10 5 EGBERN Cc1c(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596636923 459708158 /nfs/dbraw/zinc/70/81/58/459708158.db2.gz ZLFYNKCBDDJWMA-LBPRGKRZSA-N 0 0 333.388 3.469 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000592876030 459709509 /nfs/dbraw/zinc/70/95/09/459709509.db2.gz VDSKAAJCHFDMRH-KLPPZKSPSA-N 0 0 331.372 3.152 10 5 EGBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592883618 459711882 /nfs/dbraw/zinc/71/18/82/459711882.db2.gz VNUWOLFNTXWSNS-UHFFFAOYSA-N 0 0 348.399 3.179 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000592898783 459715908 /nfs/dbraw/zinc/71/59/08/459715908.db2.gz ADXSEGFFFBSFGA-OAHLLOKOSA-N 0 0 332.404 3.087 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000592903083 459717086 /nfs/dbraw/zinc/71/70/86/459717086.db2.gz SQZPORDQEAWLFL-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592940627 459721625 /nfs/dbraw/zinc/72/16/25/459721625.db2.gz BDVGZKKSULRVMR-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCN(CCc2cccc(F)c2F)CC1 ZINC000544071643 459724588 /nfs/dbraw/zinc/72/45/88/459724588.db2.gz JMWJHMUTSMOZMP-UHFFFAOYSA-N 0 0 347.365 3.238 10 5 EGBERN COc1cc(Cn2cc(C(F)(F)F)c(C)n2)c([N+](=O)[O-])cc1F ZINC000592988431 459731920 /nfs/dbraw/zinc/73/19/20/459731920.db2.gz DTINJSJLQSPNLS-UHFFFAOYSA-N 0 0 333.241 3.315 10 5 EGBERN CC[C@@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593019906 459741768 /nfs/dbraw/zinc/74/17/68/459741768.db2.gz RWVZQNJYLRMNRG-MRXNPFEDSA-N 0 0 349.412 3.253 10 5 EGBERN CSc1cccnc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000593030843 459747552 /nfs/dbraw/zinc/74/75/52/459747552.db2.gz NZOVHIWSWGQDGP-SNVBAGLBSA-N 0 0 329.381 3.303 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(c3ccccc3C)CC2)c1 ZINC000593034062 459748619 /nfs/dbraw/zinc/74/86/19/459748619.db2.gz DBHDCUHZVLOMLE-UHFFFAOYSA-N 0 0 340.379 3.469 10 5 EGBERN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCO1 ZINC000596801493 459766038 /nfs/dbraw/zinc/76/60/38/459766038.db2.gz QQUVBKHNBKOONO-SKDRFNHKSA-N 0 0 344.314 3.340 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000596826655 459772325 /nfs/dbraw/zinc/77/23/25/459772325.db2.gz VRHIXACJUNSEGB-RDJZCZTQSA-N 0 0 340.379 3.413 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596837709 459775628 /nfs/dbraw/zinc/77/56/28/459775628.db2.gz WMDTWWUIGWJWSG-ZDUSSCGKSA-N 0 0 333.388 3.387 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000596844370 459777061 /nfs/dbraw/zinc/77/70/61/459777061.db2.gz XASFOKFQDCPELT-BONVTDFDSA-N 0 0 343.330 3.180 10 5 EGBERN O=[N+]([O-])c1cc2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3oc2c([N+](=O)[O-])c1 ZINC000584657155 459779376 /nfs/dbraw/zinc/77/93/76/459779376.db2.gz WCHSQFDJDQOXIB-UHFFFAOYSA-N 0 0 348.183 3.219 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596865844 459782186 /nfs/dbraw/zinc/78/21/86/459782186.db2.gz JCTYLRAOJBARDL-ZDUSSCGKSA-N 0 0 333.388 3.387 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000596868013 459782915 /nfs/dbraw/zinc/78/29/15/459782915.db2.gz VQBPQROHFBBWHA-UHFFFAOYSA-N 0 0 347.415 3.492 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593134303 459784248 /nfs/dbraw/zinc/78/42/48/459784248.db2.gz KNPPDLUXIREZRP-BXKDBHETSA-N 0 0 348.296 3.466 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000593134609 459784264 /nfs/dbraw/zinc/78/42/64/459784264.db2.gz ASDILJNSZCNONX-NSHDSACASA-N 0 0 327.768 3.281 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(COC)(C2CCC2)C1 ZINC000596913360 459794487 /nfs/dbraw/zinc/79/44/87/459794487.db2.gz VWWZPOLXWQNPAE-UHFFFAOYSA-N 0 0 347.415 3.438 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNCc1ccnn1-c1ccccc1 ZINC000584760443 459796425 /nfs/dbraw/zinc/79/64/25/459796425.db2.gz ROPZZRXYHGHVCM-UHFFFAOYSA-N 0 0 338.367 3.079 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596930690 459798914 /nfs/dbraw/zinc/79/89/14/459798914.db2.gz LSBRGMJVCCTRJA-CQSZACIVSA-N 0 0 347.415 3.084 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CCCOC1 ZINC000593206180 459807483 /nfs/dbraw/zinc/80/74/83/459807483.db2.gz AARYBPDXRYULJS-ZDUSSCGKSA-N 0 0 337.376 3.026 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000574380421 459811878 /nfs/dbraw/zinc/81/18/78/459811878.db2.gz FQKDAYOJABCFFM-CYBMUJFWSA-N 0 0 331.303 3.199 10 5 EGBERN O=C(Nc1cc(F)ccn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597013851 459817426 /nfs/dbraw/zinc/81/74/26/459817426.db2.gz NEBAQAGJURBFFF-UHFFFAOYSA-N 0 0 330.319 3.325 10 5 EGBERN Cc1cnn(CCOc2c(C)cc(Br)cc2[N+](=O)[O-])c1 ZINC000566212677 459823549 /nfs/dbraw/zinc/82/35/49/459823549.db2.gz YNOKHZMOMBVISG-UHFFFAOYSA-N 0 0 340.177 3.250 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593279183 459827376 /nfs/dbraw/zinc/82/73/76/459827376.db2.gz JDWLNZOOFXEHKC-OAHLLOKOSA-N 0 0 338.791 3.183 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000593280007 459827930 /nfs/dbraw/zinc/82/79/30/459827930.db2.gz QFZWWXMBPACBAN-KRWDZBQOSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000593279880 459828314 /nfs/dbraw/zinc/82/83/14/459828314.db2.gz BOIKSSRSWCAJBK-OAHLLOKOSA-N 0 0 338.791 3.183 10 5 EGBERN C[C@H](C(=O)N[C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593279985 459828379 /nfs/dbraw/zinc/82/83/79/459828379.db2.gz OTJHEWVDOQXXDY-YVEFUNNKSA-N 0 0 332.400 3.020 10 5 EGBERN CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593296720 459832425 /nfs/dbraw/zinc/83/24/25/459832425.db2.gz UUEVBIHULLJWGK-NSHDSACASA-N 0 0 346.305 3.255 10 5 EGBERN Nc1c(NC(=O)N2CC[C@@H](C3CCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091043 459835728 /nfs/dbraw/zinc/83/57/28/459835728.db2.gz ULPLLQSXPZFIDT-SNVBAGLBSA-N 0 0 338.795 3.484 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCS1 ZINC000597096355 459836098 /nfs/dbraw/zinc/83/60/98/459836098.db2.gz IBPGFJVLWUNNLX-MRVPVSSYSA-N 0 0 344.824 3.190 10 5 EGBERN CC(C)[C@@H]1CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096610 459836159 /nfs/dbraw/zinc/83/61/59/459836159.db2.gz BVTMJBKQJCGLNP-NSHDSACASA-N 0 0 326.784 3.483 10 5 EGBERN Nc1c(NC(=O)NC[C@@H]2CCC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097634 459836383 /nfs/dbraw/zinc/83/63/83/459836383.db2.gz QDNRHEDICQHBSZ-SSDOTTSWSA-N 0 0 348.737 3.387 10 5 EGBERN Nc1c(NC(=O)N2CC(C3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597099285 459836612 /nfs/dbraw/zinc/83/66/12/459836612.db2.gz XFKOLMMBDYAART-UHFFFAOYSA-N 0 0 338.795 3.484 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1F ZINC000597101591 459837444 /nfs/dbraw/zinc/83/74/44/459837444.db2.gz SGTBJGGDFLRSIU-APPZFPTMSA-N 0 0 330.747 3.042 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C1CC1 ZINC000585750439 459840735 /nfs/dbraw/zinc/84/07/35/459840735.db2.gz TTYRAXHCDJOKCL-VXGBXAGGSA-N 0 0 325.162 3.342 10 5 EGBERN CSc1cccc(C(=O)N2C[C@@H](C)OCC23CCC3)c1[N+](=O)[O-] ZINC000593321452 459841086 /nfs/dbraw/zinc/84/10/86/459841086.db2.gz XDOPEHGSQUNAQI-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN COc1cccc(C(=O)N2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000593327647 459845405 /nfs/dbraw/zinc/84/54/05/459845405.db2.gz RPRLDSFUVMMXOC-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298426 459852381 /nfs/dbraw/zinc/85/23/81/459852381.db2.gz AEUIPXZXZRQKTJ-MNOVXSKESA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000585808477 459853718 /nfs/dbraw/zinc/85/37/18/459853718.db2.gz XABYGRASFFWJJC-UHFFFAOYSA-N 0 0 331.376 3.246 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000593359804 459862868 /nfs/dbraw/zinc/86/28/68/459862868.db2.gz BHRXVXKBZHKGCN-CQSZACIVSA-N 0 0 336.388 3.096 10 5 EGBERN COCc1ccnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000593368242 459867823 /nfs/dbraw/zinc/86/78/23/459867823.db2.gz BFAZFOLQSRPJND-NSHDSACASA-N 0 0 347.396 3.256 10 5 EGBERN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC2CCC1CC2 ZINC000593372995 459869801 /nfs/dbraw/zinc/86/98/01/459869801.db2.gz NYXJXLKJZZGLPD-YWPUVAFDSA-N 0 0 346.383 3.268 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC2CCC1CC2 ZINC000593372994 459870297 /nfs/dbraw/zinc/87/02/97/459870297.db2.gz NYXJXLKJZZGLPD-XVSSEFHLSA-N 0 0 346.383 3.268 10 5 EGBERN CCOc1cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000586777529 459870486 /nfs/dbraw/zinc/87/04/86/459870486.db2.gz QXJVUXGLOPZJKX-HZMBPMFUSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000598339585 459872236 /nfs/dbraw/zinc/87/22/36/459872236.db2.gz AEIGCXCAYWEWDM-JOYOIKCWSA-N 0 0 344.383 3.483 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000598345853 459874031 /nfs/dbraw/zinc/87/40/31/459874031.db2.gz HCSUXAXIYSTBOS-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN CC(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)(C1CC1)C1CC1 ZINC000598379849 459882960 /nfs/dbraw/zinc/88/29/60/459882960.db2.gz BBHNDKNSWMAPRZ-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC[C@H]1CCO ZINC000586835102 459883630 /nfs/dbraw/zinc/88/36/30/459883630.db2.gz FCXIVHCKBUYNGN-SJORKVTESA-N 0 0 348.443 3.317 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC2(CO)CCCCC2)c1 ZINC000593422717 459884226 /nfs/dbraw/zinc/88/42/26/459884226.db2.gz JEHQDZCFNPVFBW-UHFFFAOYSA-N 0 0 339.413 3.310 10 5 EGBERN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000598382222 459884328 /nfs/dbraw/zinc/88/43/28/459884328.db2.gz VNMLERHXBBPEFP-ZDUSSCGKSA-N 0 0 328.315 3.361 10 5 EGBERN CC(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)(C1CC1)C1CC1 ZINC000598381945 459884559 /nfs/dbraw/zinc/88/45/59/459884559.db2.gz STRKYSCRGMNKEB-UHFFFAOYSA-N 0 0 331.416 3.482 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000598397852 459889266 /nfs/dbraw/zinc/88/92/66/459889266.db2.gz BRDZSMKSACXCQB-CYBMUJFWSA-N 0 0 346.383 3.034 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000587383866 459892161 /nfs/dbraw/zinc/89/21/61/459892161.db2.gz APTPQFCOOMSWCQ-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN CC(C)c1ccc(OCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587290831 459892498 /nfs/dbraw/zinc/89/24/98/459892498.db2.gz JLIZYEYHBUZOQX-UHFFFAOYSA-N 0 0 345.399 3.284 10 5 EGBERN COc1ccccc1[C@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587837798 459895185 /nfs/dbraw/zinc/89/51/85/459895185.db2.gz GTMVSJRKRPTYSH-MRXNPFEDSA-N 0 0 343.383 3.019 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976205 459897705 /nfs/dbraw/zinc/89/77/05/459897705.db2.gz XOTYTQAZILKYRB-DNVCBOLYSA-N 0 0 342.395 3.436 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCC1(CO)CC2(CCC2)C1 ZINC000593469095 459898935 /nfs/dbraw/zinc/89/89/35/459898935.db2.gz LMUJKIDQVBDJTK-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@]12CCCO2 ZINC000593468351 459899067 /nfs/dbraw/zinc/89/90/67/459899067.db2.gz SENLYUZBUOFXKA-KZNAEPCWSA-N 0 0 343.383 3.282 10 5 EGBERN CCC[C@@H](C)C(=O)NCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593472713 459899661 /nfs/dbraw/zinc/89/96/61/459899661.db2.gz IWVYOBAPNULAKG-GFCCVEGCSA-N 0 0 330.388 3.107 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000587994142 459899857 /nfs/dbraw/zinc/89/98/57/459899857.db2.gz YTVUOQGQTJKIME-LIBAHTEVSA-N 0 0 343.383 3.034 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598459327 459903400 /nfs/dbraw/zinc/90/34/00/459903400.db2.gz UXESFUGVVNBTID-GVDBMIGSSA-N 0 0 326.327 3.110 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)N(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000588035666 459904975 /nfs/dbraw/zinc/90/49/75/459904975.db2.gz BTJJOERTQHFTQU-ZFWWWQNUSA-N 0 0 341.411 3.360 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CCF)C1 ZINC000597288162 459905278 /nfs/dbraw/zinc/90/52/78/459905278.db2.gz IDRSSOYSANYEOY-ZDUSSCGKSA-N 0 0 347.394 3.449 10 5 EGBERN CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609122131 459905891 /nfs/dbraw/zinc/90/58/91/459905891.db2.gz NIXPWNBYYYBZIW-GHMZBOCLSA-N 0 0 332.447 3.294 10 5 EGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068905 459908464 /nfs/dbraw/zinc/90/84/64/459908464.db2.gz MXORYNMNMJBCBH-WRHMKCCWSA-N 0 0 325.368 3.003 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@H]2Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000593521430 459914395 /nfs/dbraw/zinc/91/43/95/459914395.db2.gz RZHJJQQBBJSVSF-CYBMUJFWSA-N 0 0 335.310 3.061 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)C1 ZINC000598504666 459923724 /nfs/dbraw/zinc/92/37/24/459923724.db2.gz MCEQWUMETRSUTE-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@@H](NC(=O)c1onc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000597351310 459926245 /nfs/dbraw/zinc/92/62/45/459926245.db2.gz USARMTQMZLFMBI-CQSZACIVSA-N 0 0 329.356 3.343 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000598510788 459927930 /nfs/dbraw/zinc/92/79/30/459927930.db2.gz XKVUIDBVAYJPOE-WDEREUQCSA-N 0 0 346.305 3.085 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598572153 459943811 /nfs/dbraw/zinc/94/38/11/459943811.db2.gz KNXHLPMGPZLMQD-SFHVURJKSA-N 0 0 337.379 3.286 10 5 EGBERN C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCO1 ZINC000597411131 459945222 /nfs/dbraw/zinc/94/52/22/459945222.db2.gz ULRFWIZTIXKQFQ-DYVFJYSZSA-N 0 0 332.400 3.291 10 5 EGBERN CC(C)(CNC(=O)CNc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000598581318 459951321 /nfs/dbraw/zinc/95/13/21/459951321.db2.gz LBKVXYFMUAHRFU-UHFFFAOYSA-N 0 0 333.310 3.102 10 5 EGBERN COC(=O)c1ccnc(N2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598628348 459968455 /nfs/dbraw/zinc/96/84/55/459968455.db2.gz PMSFAHNYGOJWLT-AWEZNQCLSA-N 0 0 341.367 3.160 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC2(CC2(F)F)CC1 ZINC000593756879 459975484 /nfs/dbraw/zinc/97/54/84/459975484.db2.gz JZLPAAVNBNJFOM-UHFFFAOYSA-N 0 0 349.341 3.016 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CNc2ccccc2C1 ZINC000593759560 459976466 /nfs/dbraw/zinc/97/64/66/459976466.db2.gz BACOPNXJZKMUTG-CQSZACIVSA-N 0 0 340.383 3.316 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598655637 459980362 /nfs/dbraw/zinc/98/03/62/459980362.db2.gz XOMUFOLMSHXQBT-QWHCGFSZSA-N 0 0 349.431 3.375 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588788209 459982481 /nfs/dbraw/zinc/98/24/81/459982481.db2.gz LSLWJBMAPYUICS-GXTWGEPZSA-N 0 0 326.343 3.468 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000588788129 459983204 /nfs/dbraw/zinc/98/32/04/459983204.db2.gz JATAQAFYWXTDAY-JTQLQIEISA-N 0 0 336.241 3.114 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000593792823 459988428 /nfs/dbraw/zinc/98/84/28/459988428.db2.gz XWEKLJFQIUDGNS-QGZVFWFLSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1nc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000588937295 460008776 /nfs/dbraw/zinc/00/87/76/460008776.db2.gz IKXPZIZZJQHIJU-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN COc1ccc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000598731871 460009648 /nfs/dbraw/zinc/00/96/48/460009648.db2.gz CITCBAUOINYZBG-UHFFFAOYSA-N 0 0 348.380 3.298 10 5 EGBERN Cc1nc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000618445224 460012507 /nfs/dbraw/zinc/01/25/07/460012507.db2.gz SUWFWONTDKFCDO-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN COc1ccc(C(=O)Nc2nccc(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000598763025 460023871 /nfs/dbraw/zinc/02/38/71/460023871.db2.gz IFYPNCQOQKBTSX-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN CN(C(=O)CCCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000593953178 460025344 /nfs/dbraw/zinc/02/53/44/460025344.db2.gz ZJDPYJWALVHGMH-UHFFFAOYSA-N 0 0 336.388 3.460 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1scc2c1OCCO2 ZINC000593961489 460028968 /nfs/dbraw/zinc/02/89/68/460028968.db2.gz XPHDTPYAIMQMMQ-VIFPVBQESA-N 0 0 346.364 3.019 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(N4CCCC4)nc3)c2c1 ZINC000609849407 460029179 /nfs/dbraw/zinc/02/91/79/460029179.db2.gz BJOJYPYRFXQOQV-UHFFFAOYSA-N 0 0 336.355 3.277 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000589102917 460029958 /nfs/dbraw/zinc/02/99/58/460029958.db2.gz DTLLIQJTNUYYMP-HNNXBMFYSA-N 0 0 327.384 3.290 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000593964394 460030285 /nfs/dbraw/zinc/03/02/85/460030285.db2.gz HQUPPRAIVASLLR-UHFFFAOYSA-N 0 0 336.388 3.113 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593968943 460032986 /nfs/dbraw/zinc/03/29/86/460032986.db2.gz OXRGLXXXKQLROM-UHFFFAOYSA-N 0 0 336.388 3.113 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3CCc4ccccc4C3)no2)n1 ZINC000589132371 460035952 /nfs/dbraw/zinc/03/59/52/460035952.db2.gz NFWCYFZQLHMZEP-ZDUSSCGKSA-N 0 0 339.355 3.134 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597728395 460040599 /nfs/dbraw/zinc/04/05/99/460040599.db2.gz VKWQOGMRTSKYDO-IAQYHMDHSA-N 0 0 346.412 3.162 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597728396 460041244 /nfs/dbraw/zinc/04/12/44/460041244.db2.gz VKWQOGMRTSKYDO-NHYWBVRUSA-N 0 0 346.412 3.162 10 5 EGBERN COC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCC(F)(F)CC1 ZINC000598811256 460046718 /nfs/dbraw/zinc/04/67/18/460046718.db2.gz AKRQSIJQSSZHMT-UHFFFAOYSA-N 0 0 340.326 3.078 10 5 EGBERN Cc1cc(NC(=O)C2(C(F)(F)F)CCOCC2)ccc1[N+](=O)[O-] ZINC000598827912 460055258 /nfs/dbraw/zinc/05/52/58/460055258.db2.gz JDKFIVAUWYEFGB-UHFFFAOYSA-N 0 0 332.278 3.201 10 5 EGBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)n1cccn1 ZINC000598829195 460055479 /nfs/dbraw/zinc/05/54/79/460055479.db2.gz UHJYSKMZLSBZCT-UHFFFAOYSA-N 0 0 342.277 3.184 10 5 EGBERN CC(C)(C)c1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000576030417 460056498 /nfs/dbraw/zinc/05/64/98/460056498.db2.gz CPOACANSHANXKM-UHFFFAOYSA-N 0 0 344.415 3.203 10 5 EGBERN CO[C@]1(C(F)(F)F)CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618585373 460075548 /nfs/dbraw/zinc/07/55/48/460075548.db2.gz QGROOIHPICFEGR-CYBMUJFWSA-N 0 0 344.293 3.019 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000610182203 460077079 /nfs/dbraw/zinc/07/70/79/460077079.db2.gz QNJGAUIQASNTAP-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1cccs1)C(C)(C)CO ZINC000597846231 460079007 /nfs/dbraw/zinc/07/90/07/460079007.db2.gz OIBBOGPWHRXZOJ-HNNXBMFYSA-N 0 0 348.424 3.454 10 5 EGBERN CCCc1nccnc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598878503 460080707 /nfs/dbraw/zinc/08/07/07/460080707.db2.gz UNOUAQZKBBBGRT-UONOGXRCSA-N 0 0 326.356 3.080 10 5 EGBERN C[C@@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000598880239 460082031 /nfs/dbraw/zinc/08/20/31/460082031.db2.gz HUHCNIZIFQGHLX-GUYCJALGSA-N 0 0 332.400 3.469 10 5 EGBERN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597866332 460085648 /nfs/dbraw/zinc/08/56/48/460085648.db2.gz WFHOIMLYWBCVGI-AWEZNQCLSA-N 0 0 342.399 3.102 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594072966 460086895 /nfs/dbraw/zinc/08/68/95/460086895.db2.gz QNEHCJQWAIUNCF-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C2CCCC1CCC2 ZINC000618616112 460087912 /nfs/dbraw/zinc/08/79/12/460087912.db2.gz CKVLKHHABHLUOZ-UHFFFAOYSA-N 0 0 343.387 3.088 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594079053 460090699 /nfs/dbraw/zinc/09/06/99/460090699.db2.gz QSRUQPAAHIHNQV-OCCSQVGLSA-N 0 0 337.376 3.073 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000598951688 460099029 /nfs/dbraw/zinc/09/90/29/460099029.db2.gz XJSJTZFMYUPMFD-AWEZNQCLSA-N 0 0 339.395 3.114 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCc2cccnc21 ZINC000598949375 460099298 /nfs/dbraw/zinc/09/92/98/460099298.db2.gz AGMSEVXBHCRANF-LBPRGKRZSA-N 0 0 345.786 3.411 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC2CCN(c3ccccn3)CC2)c1 ZINC000610275062 460102307 /nfs/dbraw/zinc/10/23/07/460102307.db2.gz YREXPXXSBSBWGJ-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN COC(=O)c1oc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC000598961441 460103810 /nfs/dbraw/zinc/10/38/10/460103810.db2.gz MAQBTVNRVKSKKJ-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(COC)CC1 ZINC000594109051 460104023 /nfs/dbraw/zinc/10/40/23/460104023.db2.gz OGWLOHNZSVBPSS-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597920129 460112384 /nfs/dbraw/zinc/11/23/84/460112384.db2.gz SMRVBCQCIYUOHX-CYBMUJFWSA-N 0 0 346.358 3.169 10 5 EGBERN Cc1c(CC(=O)N2CCC(c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000597924135 460114346 /nfs/dbraw/zinc/11/43/46/460114346.db2.gz HIICGGXJFSDLJA-UHFFFAOYSA-N 0 0 328.368 3.445 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597925172 460114449 /nfs/dbraw/zinc/11/44/49/460114449.db2.gz SSMOYTGMACNUPM-BEFAXECRSA-N 0 0 346.427 3.191 10 5 EGBERN O=C(NCCc1ccc(C2CCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597925802 460114636 /nfs/dbraw/zinc/11/46/36/460114636.db2.gz YCNIRTRHPZAJSK-UHFFFAOYSA-N 0 0 342.399 3.338 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000598995369 460121549 /nfs/dbraw/zinc/12/15/49/460121549.db2.gz SJOJFEJKUHWJPM-UONOGXRCSA-N 0 0 331.397 3.054 10 5 EGBERN CSc1cccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594138072 460121995 /nfs/dbraw/zinc/12/19/95/460121995.db2.gz DLOMJRUWNXGGSZ-XYPYZODXSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@@H]1C[C@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680607 460126315 /nfs/dbraw/zinc/12/63/15/460126315.db2.gz AVAPTEZNCNPEOP-BETUJISGSA-N 0 0 344.415 3.306 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599022775 460129521 /nfs/dbraw/zinc/12/95/21/460129521.db2.gz QERBMQNRZFDJPO-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000589725850 460132214 /nfs/dbraw/zinc/13/22/14/460132214.db2.gz ZULIWYCMDAYEEX-CYBMUJFWSA-N 0 0 343.427 3.313 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnccc1C ZINC000597978923 460134668 /nfs/dbraw/zinc/13/46/68/460134668.db2.gz VPYMFHKJAYWHKZ-MRXNPFEDSA-N 0 0 341.411 3.226 10 5 EGBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594173138 460136683 /nfs/dbraw/zinc/13/66/83/460136683.db2.gz GIJHJPFANFQAEQ-NSHDSACASA-N 0 0 342.342 3.304 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000594175955 460137477 /nfs/dbraw/zinc/13/74/77/460137477.db2.gz NBHCBHFYCJVVIF-DOTOQJQBSA-N 0 0 345.399 3.083 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCCO1 ZINC000594174338 460137515 /nfs/dbraw/zinc/13/75/15/460137515.db2.gz GQSUMEXXDVAODM-GDBMZVCRSA-N 0 0 343.383 3.221 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000594175961 460137576 /nfs/dbraw/zinc/13/75/76/460137576.db2.gz NBHCBHFYCJVVIF-RDJZCZTQSA-N 0 0 345.399 3.083 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594202381 460148182 /nfs/dbraw/zinc/14/81/82/460148182.db2.gz GIQPRDYXCSMILH-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594201792 460148250 /nfs/dbraw/zinc/14/82/50/460148250.db2.gz AEZSBTFRKFGEIA-AWEZNQCLSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594206210 460150806 /nfs/dbraw/zinc/15/08/06/460150806.db2.gz KKJMXRWSBDCBNC-BBRMVZONSA-N 0 0 332.400 3.306 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000598038244 460151911 /nfs/dbraw/zinc/15/19/11/460151911.db2.gz BCRPFNITUNZMHT-HNNXBMFYSA-N 0 0 344.371 3.162 10 5 EGBERN C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589859606 460152375 /nfs/dbraw/zinc/15/23/75/460152375.db2.gz FTOUWYUJTICKCF-JTQLQIEISA-N 0 0 349.350 3.320 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594212260 460154361 /nfs/dbraw/zinc/15/43/61/460154361.db2.gz LZWFIDBTRGULDR-KCXAZCMYSA-N 0 0 335.404 3.303 10 5 EGBERN CCO[C@H]1C[C@@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC000599082029 460154701 /nfs/dbraw/zinc/15/47/01/460154701.db2.gz WXIBWMPSHLVXLO-MAUKXSAKSA-N 0 0 345.399 3.121 10 5 EGBERN CCC[C@H](C)C(=O)NCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082173 460154945 /nfs/dbraw/zinc/15/49/45/460154945.db2.gz RWYNZLQRCIKZNH-LBPRGKRZSA-N 0 0 330.388 3.107 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(c2ccncn2)CC1 ZINC000599086156 460156589 /nfs/dbraw/zinc/15/65/89/460156589.db2.gz JWUAMNKLFMBMJJ-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598053714 460156876 /nfs/dbraw/zinc/15/68/76/460156876.db2.gz IGIRIQMHRYTEEG-LLVKDONJSA-N 0 0 330.340 3.125 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000610476541 460159692 /nfs/dbraw/zinc/15/96/92/460159692.db2.gz GLFGHGDBNRKFDV-MRXNPFEDSA-N 0 0 330.388 3.027 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3cc(C)ccn3)C2)c1 ZINC000599100282 460161709 /nfs/dbraw/zinc/16/17/09/460161709.db2.gz LRUBUTYZUZAICX-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN CC(=O)c1cc(NC[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599115786 460165436 /nfs/dbraw/zinc/16/54/36/460165436.db2.gz DBVYWOOISRDNBH-CYBMUJFWSA-N 0 0 342.277 3.209 10 5 EGBERN CCOc1cc(NCc2c(C(F)(F)F)cnn2C)ccc1[N+](=O)[O-] ZINC000599124749 460167559 /nfs/dbraw/zinc/16/75/59/460167559.db2.gz RGQKNJOBANHHCR-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000599123497 460167625 /nfs/dbraw/zinc/16/76/25/460167625.db2.gz ODWSUEGAMXVZNW-RDJZCZTQSA-N 0 0 327.384 3.273 10 5 EGBERN Cc1cc(NCC2(OCCO)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000599138752 460172552 /nfs/dbraw/zinc/17/25/52/460172552.db2.gz KJFXDCDHKFOPKI-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN CC1(C)CC(=O)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000599145591 460174890 /nfs/dbraw/zinc/17/48/90/460174890.db2.gz YHQNLHMXXMIFGR-UHFFFAOYSA-N 0 0 328.315 3.392 10 5 EGBERN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526069 460175433 /nfs/dbraw/zinc/17/54/33/460175433.db2.gz CGPJYJCNDQLZQS-CQSZACIVSA-N 0 0 342.399 3.102 10 5 EGBERN CC(C)Cc1ccccc1-c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000599179962 460190680 /nfs/dbraw/zinc/19/06/80/460190680.db2.gz CNQAJCTVSMFSDM-UHFFFAOYSA-N 0 0 327.344 3.088 10 5 EGBERN CCc1nn(C)c(Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1[N+](=O)[O-] ZINC000599182574 460191738 /nfs/dbraw/zinc/19/17/38/460191738.db2.gz NWBIBOHELCFZHF-JTQLQIEISA-N 0 0 343.387 3.104 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(Cc3ccccc3Br)C2)nc1 ZINC000599185255 460192596 /nfs/dbraw/zinc/19/25/96/460192596.db2.gz XBVNMBNSKFNQRL-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN CC(C)(NC(=O)Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000610632999 460202500 /nfs/dbraw/zinc/20/25/00/460202500.db2.gz JULHMUGCTQPENS-UHFFFAOYSA-N 0 0 339.355 3.299 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@]2(C)CC2(F)F)c1 ZINC000598214120 460205969 /nfs/dbraw/zinc/20/59/69/460205969.db2.gz CBRDJUHNWDADSU-OAHLLOKOSA-N 0 0 342.342 3.224 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](CCF)C1 ZINC000598218458 460208720 /nfs/dbraw/zinc/20/87/20/460208720.db2.gz BZDMHGNOMKINQU-LLVKDONJSA-N 0 0 347.346 3.060 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CC2(F)F)cc1SC ZINC000598219484 460210194 /nfs/dbraw/zinc/21/01/94/460210194.db2.gz QXBSQCWFIMKNTL-CYBMUJFWSA-N 0 0 346.355 3.100 10 5 EGBERN CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCCO1 ZINC000594411445 460210827 /nfs/dbraw/zinc/21/08/27/460210827.db2.gz RKVVYLZQPDJRTN-WFASDCNBSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CCF)C1 ZINC000598221333 460211535 /nfs/dbraw/zinc/21/15/35/460211535.db2.gz QJEUXZIOGXYPGG-AWEZNQCLSA-N 0 0 337.395 3.385 10 5 EGBERN COc1cc(C(=O)N2CC(Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000598234713 460217367 /nfs/dbraw/zinc/21/73/67/460217367.db2.gz KGVTYHUGIKCPQB-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000622194839 460219599 /nfs/dbraw/zinc/21/95/99/460219599.db2.gz AUYFARZEHDKUIV-LLVKDONJSA-N 0 0 342.345 3.456 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(CC(F)(F)F)C1 ZINC000610745498 460230182 /nfs/dbraw/zinc/23/01/82/460230182.db2.gz PBASXMRKNZLHRL-UHFFFAOYSA-N 0 0 334.319 3.098 10 5 EGBERN CCOc1cccc(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])n1 ZINC000610755487 460232190 /nfs/dbraw/zinc/23/21/90/460232190.db2.gz DDKABEKKRFWBLN-UHFFFAOYSA-N 0 0 329.356 3.246 10 5 EGBERN COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610772438 460234578 /nfs/dbraw/zinc/23/45/78/460234578.db2.gz QIDXEPBJZWRAOS-MRXNPFEDSA-N 0 0 341.367 3.366 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC2(CC(F)C2)C1 ZINC000611077175 460286900 /nfs/dbraw/zinc/28/69/00/460286900.db2.gz XQQGICXPCUHSRS-UHFFFAOYSA-N 0 0 332.253 3.188 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000611085497 460287273 /nfs/dbraw/zinc/28/72/73/460287273.db2.gz DLONFBPIBNKZDR-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN O=C(c1ccc2c(n1)CCCC2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000611093719 460288403 /nfs/dbraw/zinc/28/84/03/460288403.db2.gz PFWXVQIKWRRJPU-UHFFFAOYSA-N 0 0 337.379 3.462 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(F)(F)C[C@H]2C)c1 ZINC000599628845 460292215 /nfs/dbraw/zinc/29/22/15/460292215.db2.gz VDYFTCTWKCUGFJ-SNVBAGLBSA-N 0 0 328.315 3.001 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000615268621 460301568 /nfs/dbraw/zinc/30/15/68/460301568.db2.gz SLEAJPQZXQSAPV-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2cccs2)C1 ZINC000599691711 460312468 /nfs/dbraw/zinc/31/24/68/460312468.db2.gz GNBRQIXNEZOCRH-UHFFFAOYSA-N 0 0 347.396 3.371 10 5 EGBERN Cc1nc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000611238207 460313490 /nfs/dbraw/zinc/31/34/90/460313490.db2.gz KKDLFEAJYZFVQS-UHFFFAOYSA-N 0 0 349.416 3.292 10 5 EGBERN CN(Cc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252285 460317194 /nfs/dbraw/zinc/31/71/94/460317194.db2.gz DNUHMJXZOSINHA-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN Cc1cc(C(=O)N2CCC(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000611256259 460319687 /nfs/dbraw/zinc/31/96/87/460319687.db2.gz XAERFFSSVYSRGB-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN CCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000611335071 460338808 /nfs/dbraw/zinc/33/88/08/460338808.db2.gz DHURNIVJMCLVNQ-GFCCVEGCSA-N 0 0 334.376 3.233 10 5 EGBERN O=C(NC[C@@H]1CCCS1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829463 460343012 /nfs/dbraw/zinc/34/30/12/460343012.db2.gz CYTUBJNQNQGQRU-JTQLQIEISA-N 0 0 332.385 3.160 10 5 EGBERN O=C(NCC1CCSCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829842 460343410 /nfs/dbraw/zinc/34/34/10/460343410.db2.gz MRCCXSCXRPYWCJ-UHFFFAOYSA-N 0 0 346.412 3.408 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833621 460344559 /nfs/dbraw/zinc/34/45/59/460344559.db2.gz VRHSGDPDHASVLH-GFCCVEGCSA-N 0 0 346.387 3.014 10 5 EGBERN CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833602 460344833 /nfs/dbraw/zinc/34/48/33/460344833.db2.gz VETRMAKEJSQRFD-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCCC1(F)F ZINC000599836744 460345690 /nfs/dbraw/zinc/34/56/90/460345690.db2.gz XDQHCYGXQLRTST-ZDUSSCGKSA-N 0 0 336.298 3.452 10 5 EGBERN CC1(F)CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000619419387 460350714 /nfs/dbraw/zinc/35/07/14/460350714.db2.gz LMEFHBCNBNICCY-UHFFFAOYSA-N 0 0 343.358 3.391 10 5 EGBERN COc1c(C(=O)N2CC(Cc3ccccc3C)C2)cccc1[N+](=O)[O-] ZINC000619439275 460356962 /nfs/dbraw/zinc/35/69/62/460356962.db2.gz LYVYTAUFVKBHOP-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@H](F)C1 ZINC000611501367 460379052 /nfs/dbraw/zinc/37/90/52/460379052.db2.gz BEDISWCRVMGCHE-JTNHKYCSSA-N 0 0 334.351 3.386 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1F ZINC000611507217 460381856 /nfs/dbraw/zinc/38/18/56/460381856.db2.gz YZUSKGZVPLSUEW-PELKAZGASA-N 0 0 334.269 3.434 10 5 EGBERN O=[N+]([O-])c1ncccc1NCc1cc(Cl)ccc1N1CCOCC1 ZINC000619588096 460391558 /nfs/dbraw/zinc/39/15/58/460391558.db2.gz YWFRVBPEBCMPNO-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN CC1(C)CCC[C@@H]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600160111 460412232 /nfs/dbraw/zinc/41/22/32/460412232.db2.gz RDQUKJVEZUGQCL-GFCCVEGCSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3C)CC2)n1 ZINC000611615581 460413705 /nfs/dbraw/zinc/41/37/05/460413705.db2.gz FRXLNGMMBAQPOG-UHFFFAOYSA-N 0 0 326.400 3.242 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604531511 460442230 /nfs/dbraw/zinc/44/22/30/460442230.db2.gz HRAZAISDRLRFRD-LLVKDONJSA-N 0 0 325.434 3.033 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])C1 ZINC000604542409 460443765 /nfs/dbraw/zinc/44/37/65/460443765.db2.gz SRYYAXQBLJBNRS-VXGBXAGGSA-N 0 0 344.371 3.317 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000619805928 460446491 /nfs/dbraw/zinc/44/64/91/460446491.db2.gz WWRFRTAQGJHGDH-SMDDNHRTSA-N 0 0 333.367 3.058 10 5 EGBERN CCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000604566521 460449991 /nfs/dbraw/zinc/44/99/91/460449991.db2.gz NFBYUYZCPSAYBP-UHFFFAOYSA-N 0 0 341.367 3.182 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600268461 460461288 /nfs/dbraw/zinc/46/12/88/460461288.db2.gz BVJNVVYEPCUJIA-LLVKDONJSA-N 0 0 338.379 3.253 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600280107 460464385 /nfs/dbraw/zinc/46/43/85/460464385.db2.gz YENIGJGTWPTORQ-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccn1)C1CCC1 ZINC000600301289 460466576 /nfs/dbraw/zinc/46/65/76/460466576.db2.gz JDSBFSMJXXSWHV-GOSISDBHSA-N 0 0 341.367 3.026 10 5 EGBERN C[C@@H](C(=O)N[C@]1(CO)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600362277 460482140 /nfs/dbraw/zinc/48/21/40/460482140.db2.gz LYHSIOHMSVWCTM-FZKQIMNGSA-N 0 0 334.416 3.146 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600365425 460483367 /nfs/dbraw/zinc/48/33/67/460483367.db2.gz RRSURRMXDQJFLU-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000600366443 460483511 /nfs/dbraw/zinc/48/35/11/460483511.db2.gz UGRRFDBULJOXLP-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000600421170 460493231 /nfs/dbraw/zinc/49/32/31/460493231.db2.gz OKMZDFZXTJCIAS-HNNXBMFYSA-N 0 0 348.399 3.003 10 5 EGBERN CC(C)(C(=O)NCC(=O)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600486992 460504987 /nfs/dbraw/zinc/50/49/87/460504987.db2.gz VGLKGZRZQMHVTQ-UHFFFAOYSA-N 0 0 332.400 3.138 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H](CCF)C1 ZINC000600491054 460506294 /nfs/dbraw/zinc/50/62/94/460506294.db2.gz YTDULBQKHMXGRP-LBPRGKRZSA-N 0 0 338.360 3.010 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600510845 460508333 /nfs/dbraw/zinc/50/83/33/460508333.db2.gz NXNFFQQIEIEAMZ-ZJUUUORDSA-N 0 0 332.278 3.306 10 5 EGBERN COC(=O)[C@@](C)(NC(=O)C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600542223 460516649 /nfs/dbraw/zinc/51/66/49/460516649.db2.gz ZQFLTWFNCFARHM-SFHVURJKSA-N 0 0 348.399 3.070 10 5 EGBERN CC1(C)CCC[C@H](n2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)C1=O ZINC000600546063 460518014 /nfs/dbraw/zinc/51/80/14/460518014.db2.gz USYOREOCBPGLDS-LBPRGKRZSA-N 0 0 332.335 3.313 10 5 EGBERN COc1ccc(OCCS[C@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000600568160 460527125 /nfs/dbraw/zinc/52/71/25/460527125.db2.gz FWIVADOGRLSBEZ-GFCCVEGCSA-N 0 0 327.402 3.283 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601157910 460736551 /nfs/dbraw/zinc/73/65/51/460736551.db2.gz IQRFNJMUGJRFHL-RITPCOANSA-N 0 0 346.231 3.124 10 5 EGBERN Cc1cccnc1CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601172039 460739669 /nfs/dbraw/zinc/73/96/69/460739669.db2.gz USHVLOJREJWHQG-UHFFFAOYSA-N 0 0 343.309 3.095 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000601172999 460740204 /nfs/dbraw/zinc/74/02/04/460740204.db2.gz NYABFORBIKTNEV-UHFFFAOYSA-N 0 0 343.358 3.197 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000601189550 460744634 /nfs/dbraw/zinc/74/46/34/460744634.db2.gz RYTVCRJUIJXOJH-QMMMGPOBSA-N 0 0 338.669 3.176 10 5 EGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CCCCO1 ZINC000601190178 460746147 /nfs/dbraw/zinc/74/61/47/460746147.db2.gz RUWHRMGQQOZKHZ-IUCAKERBSA-N 0 0 336.314 3.107 10 5 EGBERN Cc1ccc2c(c1)CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC2 ZINC000601193218 460747061 /nfs/dbraw/zinc/74/70/61/460747061.db2.gz COCARUFQSRMZQU-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN O=[N+]([O-])c1ccsc1NCCC1(O)CCN(c2ccccc2)CC1 ZINC000601223544 460755497 /nfs/dbraw/zinc/75/54/97/460755497.db2.gz FZTCSCFNDLEECS-UHFFFAOYSA-N 0 0 347.440 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1OC(F)F ZINC000601230418 460758422 /nfs/dbraw/zinc/75/84/22/460758422.db2.gz BGYSETAALHDUBJ-SNVBAGLBSA-N 0 0 338.257 3.057 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000617146561 460758792 /nfs/dbraw/zinc/75/87/92/460758792.db2.gz BRNCLWYJWCMZRM-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601237405 460760771 /nfs/dbraw/zinc/76/07/71/460760771.db2.gz DYPJVJWSOAWMIN-YVEFUNNKSA-N 0 0 343.408 3.368 10 5 EGBERN CN(C)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)ccn1 ZINC000601277156 460773092 /nfs/dbraw/zinc/77/30/92/460773092.db2.gz TYTGRLHVTOQDEL-UHFFFAOYSA-N 0 0 340.383 3.116 10 5 EGBERN C[C@H](Cc1ccncc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601280635 460774680 /nfs/dbraw/zinc/77/46/80/460774680.db2.gz HDAZUIRDFPYHNE-CQSZACIVSA-N 0 0 339.395 3.159 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N(c2ccccc2)C2CCC2)c1 ZINC000601500933 460820552 /nfs/dbraw/zinc/82/05/52/460820552.db2.gz ZOODMIKOMUACAW-UHFFFAOYSA-N 0 0 346.408 3.484 10 5 EGBERN CC(C)(F)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000601599084 460843332 /nfs/dbraw/zinc/84/33/32/460843332.db2.gz PHPGLOLFQVWYNC-UHFFFAOYSA-N 0 0 337.273 3.161 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000601612026 460847024 /nfs/dbraw/zinc/84/70/24/460847024.db2.gz KBUHEHBTIACZFR-YOEHRIQHSA-N 0 0 339.395 3.500 10 5 EGBERN CC1(C)C[C@H](O)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601621551 460849370 /nfs/dbraw/zinc/84/93/70/460849370.db2.gz SEPZRGONLHDEKP-MRXNPFEDSA-N 0 0 346.427 3.026 10 5 EGBERN CC(C)O[C@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601651304 460857173 /nfs/dbraw/zinc/85/71/73/460857173.db2.gz IIMKVAPVVKTLGU-KRWDZBQOSA-N 0 0 346.427 3.433 10 5 EGBERN C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccccn1 ZINC000601664265 460862499 /nfs/dbraw/zinc/86/24/99/460862499.db2.gz KTFPUCVKWVBVPO-AWEZNQCLSA-N 0 0 339.395 3.331 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000613235025 460878271 /nfs/dbraw/zinc/87/82/71/460878271.db2.gz OXFGMBOIAJACAX-CYBMUJFWSA-N 0 0 338.354 3.421 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC000601729311 460884789 /nfs/dbraw/zinc/88/47/89/460884789.db2.gz XBYCQIYIVHHINH-GOSISDBHSA-N 0 0 334.416 3.354 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000601771302 460893967 /nfs/dbraw/zinc/89/39/67/460893967.db2.gz SDDNOIWDMSLXDY-MISXGVKJSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@](CO)(NC(=O)[C@H]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000601780807 460895899 /nfs/dbraw/zinc/89/58/99/460895899.db2.gz UTHXSAMTZFWMLK-SCLBCKFNSA-N 0 0 334.416 3.135 10 5 EGBERN C[C@@](CO)(NC(=O)CCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000601781460 460896029 /nfs/dbraw/zinc/89/60/29/460896029.db2.gz WOTXXKYFIJJCLG-KRWDZBQOSA-N 0 0 348.424 3.003 10 5 EGBERN C[C@@](CO)(NC(=O)c1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601781346 460896129 /nfs/dbraw/zinc/89/61/29/460896129.db2.gz VJYBIIWGOFWRBV-IBGZPJMESA-N 0 0 340.379 3.110 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000654402456 462207654 /nfs/dbraw/zinc/20/76/54/462207654.db2.gz KPACYRDELJDYMY-GUYCJALGSA-N 0 0 332.403 3.457 10 5 EGBERN COc1cc(CN(C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC000184230714 533786912 /nfs/dbraw/zinc/78/69/12/533786912.db2.gz CILZMVVDKDCKCF-UHFFFAOYSA-N 0 0 339.754 3.423 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nc(COCc2ccccc2)no1 ZINC000356430015 518203113 /nfs/dbraw/zinc/20/31/13/518203113.db2.gz BUFUUQJGEMITKR-UHFFFAOYSA-N 0 0 341.323 3.274 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2nc(C)ccc2[N+](=O)[O-])cc1OC ZINC000178217089 536507278 /nfs/dbraw/zinc/50/72/78/536507278.db2.gz MYKDUQGPRSHPIJ-GFCCVEGCSA-N 0 0 331.372 3.359 10 5 EGBERN CCCCc1noc([C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)n1 ZINC000174151587 529061942 /nfs/dbraw/zinc/06/19/42/529061942.db2.gz MJHFCBVSLSMTGM-SNVBAGLBSA-N 0 0 349.343 3.247 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2nonc21 ZINC000005513725 534974630 /nfs/dbraw/zinc/97/46/30/534974630.db2.gz QFUYQNMQIKVAED-UHFFFAOYSA-N 0 0 335.663 3.436 10 5 EGBERN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000354609370 536500705 /nfs/dbraw/zinc/50/07/05/536500705.db2.gz CYDNODPXGFRMKV-UHFFFAOYSA-N 0 0 344.352 3.307 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3[nH]c(C)nc3c2)cc1[N+](=O)[O-] ZINC000055229200 546556588 /nfs/dbraw/zinc/55/65/88/546556588.db2.gz XWVKPNGDIFVKQH-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN O=C(O[C@H]1CCc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000727631899 574678789 /nfs/dbraw/zinc/67/87/89/574678789.db2.gz LMDGARGGTJWMKZ-HNNXBMFYSA-N 0 0 341.319 3.210 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000728202173 574729437 /nfs/dbraw/zinc/72/94/37/574729437.db2.gz UKBXODVHFCAPPY-WWGRRREGSA-N 0 0 331.416 3.041 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1COc2ccccc2C1 ZINC000728988147 574791662 /nfs/dbraw/zinc/79/16/62/574791662.db2.gz GYSJXAGHDGETBV-GFCCVEGCSA-N 0 0 331.299 3.028 10 5 EGBERN C[C@H]1C[C@@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000729089504 574813031 /nfs/dbraw/zinc/81/30/31/574813031.db2.gz VYRCYBCQSHATND-DTWKUNHWSA-N 0 0 333.262 3.349 10 5 EGBERN CCCCCC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000729192447 574822310 /nfs/dbraw/zinc/82/23/10/574822310.db2.gz LRHKCVWJGRAPTH-UHFFFAOYSA-N 0 0 335.404 3.330 10 5 EGBERN Cc1ccc(C)c(OCCOC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000730012287 574903357 /nfs/dbraw/zinc/90/33/57/574903357.db2.gz FBVTZIPEBPGKRJ-UHFFFAOYSA-N 0 0 330.340 3.151 10 5 EGBERN CCc1ccc(OC(=O)c2cc(Cl)nc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000734737927 575547181 /nfs/dbraw/zinc/54/71/81/575547181.db2.gz VKQOFIYGOTWSFS-UHFFFAOYSA-N 0 0 349.774 3.491 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000735349597 575647862 /nfs/dbraw/zinc/64/78/62/575647862.db2.gz FACZTDGDEFZKTN-FPLPWBNLSA-N 0 0 348.355 3.038 10 5 EGBERN CC(C)N(CCCNc1ccc([N+](=O)[O-])nc1)C(=O)OC(C)(C)C ZINC000735487079 575668477 /nfs/dbraw/zinc/66/84/77/575668477.db2.gz CAGLGVSTNDJUIE-UHFFFAOYSA-N 0 0 338.408 3.437 10 5 EGBERN COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000735535357 575676095 /nfs/dbraw/zinc/67/60/95/575676095.db2.gz VHSRIWPPBUXKTQ-OAHLLOKOSA-N 0 0 347.298 3.113 10 5 EGBERN CC(=O)CC(C)(C)CC(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000755834751 575908197 /nfs/dbraw/zinc/90/81/97/575908197.db2.gz RZQNSPYQIYXSNZ-UHFFFAOYSA-N 0 0 337.372 3.221 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C1CC1)C1CCCC1 ZINC000742259214 576763576 /nfs/dbraw/zinc/76/35/76/576763576.db2.gz WAMFXMDEAHCURP-ZDUSSCGKSA-N 0 0 343.427 3.279 10 5 EGBERN COc1cccc(F)c1[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000742418385 576781930 /nfs/dbraw/zinc/78/19/30/576781930.db2.gz PETGYQOLRDQYGM-QMMMGPOBSA-N 0 0 332.291 3.452 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2ccc3ccccc3n2)c2nonc21 ZINC000744179782 576822432 /nfs/dbraw/zinc/82/24/32/576822432.db2.gz FVGKVYLUTRSFRF-UHFFFAOYSA-N 0 0 335.323 3.334 10 5 EGBERN CC(=O)c1cccc(O[C@@H](C)C(=O)OCc2csc([N+](=O)[O-])c2)c1 ZINC000745219335 576843785 /nfs/dbraw/zinc/84/37/85/576843785.db2.gz IUEIMCCNUQMSEL-NSHDSACASA-N 0 0 349.364 3.370 10 5 EGBERN O=C(OC[C@@H]1C[C@@]12CCOC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000884589921 1302920012 /nfs/dbraw/zinc/92/00/12/1302920012.db2.gz LUFZRCCTGBFVBM-SCLBCKFNSA-N 0 0 327.336 3.331 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)CCC(=O)N2 ZINC000032894275 1291383965 /nfs/dbraw/zinc/38/39/65/1291383965.db2.gz RKUMTBWMEKSQJG-RUDMXATFSA-N 0 0 338.319 3.098 10 5 EGBERN CCOC(=O)c1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)c1 ZINC000096911981 1292955179 /nfs/dbraw/zinc/95/51/79/1292955179.db2.gz OTQXFMKIIWBVQS-VURMDHGXSA-N 0 0 330.296 3.016 10 5 EGBERN O=C(Cn1ncc2ccccc21)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000107411133 1293066836 /nfs/dbraw/zinc/06/68/36/1293066836.db2.gz FLTRQRWJBNFZJW-UHFFFAOYSA-N 0 0 331.715 3.204 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cccc(F)c12 ZINC000126494639 1293536791 /nfs/dbraw/zinc/53/67/91/1293536791.db2.gz QLCWMMHAWIFPPX-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN COc1cccc(CN(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000133333967 1293741978 /nfs/dbraw/zinc/74/19/78/1293741978.db2.gz ANGJYYCAQJZBJL-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN O=C(CCNc1ncc(Cl)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000154085853 1294041028 /nfs/dbraw/zinc/04/10/28/1294041028.db2.gz ZKXFEHMBZIAAQO-UHFFFAOYSA-N 0 0 335.747 3.189 10 5 EGBERN CCOc1ccc(C(=O)OCc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000170686627 1294377403 /nfs/dbraw/zinc/37/74/03/1294377403.db2.gz CZITVFDQTCWNBU-UHFFFAOYSA-N 0 0 336.369 3.424 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869934607 1295547009 /nfs/dbraw/zinc/54/70/09/1295547009.db2.gz XUNJUVODODDSNA-MFOWVQHXSA-N 0 0 339.775 3.497 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000870718561 1296041733 /nfs/dbraw/zinc/04/17/33/1296041733.db2.gz PJORCLZJQIWXIZ-RNCFNFMXSA-N 0 0 346.305 3.253 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000870727518 1296046609 /nfs/dbraw/zinc/04/66/09/1296046609.db2.gz JATBRBDYXRPLHK-GXSJLCMTSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1ccc(CCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000870827439 1296104953 /nfs/dbraw/zinc/10/49/53/1296104953.db2.gz ATHMIGZYLPUYES-UHFFFAOYSA-N 0 0 335.385 3.041 10 5 EGBERN C[C@H](Cc1cccc(F)c1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830251 1296107769 /nfs/dbraw/zinc/10/77/69/1296107769.db2.gz YIKKZHDTUBRKDB-OLQXHTCTSA-N 0 0 347.346 3.056 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCCS2)c1 ZINC000871027168 1296183854 /nfs/dbraw/zinc/18/38/54/1296183854.db2.gz VWYMXIJSLJUZCR-SNVBAGLBSA-N 0 0 326.443 3.332 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000871038990 1296190550 /nfs/dbraw/zinc/19/05/50/1296190550.db2.gz QJEMRNHCHHOIDH-CYBMUJFWSA-N 0 0 338.429 3.398 10 5 EGBERN Cc1cccc(OC[C@H](O)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026973 1296672491 /nfs/dbraw/zinc/67/24/91/1296672491.db2.gz JGRYTHOILAHLDU-UONOGXRCSA-N 0 0 348.374 3.133 10 5 EGBERN C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086557 1296725433 /nfs/dbraw/zinc/72/54/33/1296725433.db2.gz AAAWNEKHETWIDD-MRVPVSSYSA-N 0 0 346.284 3.337 10 5 EGBERN CCOc1ccc(C(=O)N2CCCCc3cccnc32)cc1[N+](=O)[O-] ZINC000872300409 1296904756 /nfs/dbraw/zinc/90/47/56/1296904756.db2.gz VWRBXLVGHRFTGZ-UHFFFAOYSA-N 0 0 341.367 3.372 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000873571021 1297593992 /nfs/dbraw/zinc/59/39/92/1297593992.db2.gz QBNBNDKCVUHDEK-IUODEOHRSA-N 0 0 337.372 3.354 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2nccs2)C1 ZINC000881709792 1301701356 /nfs/dbraw/zinc/70/13/56/1301701356.db2.gz VELYEGVRTWOIEM-GAJOTYCWSA-N 0 0 343.408 3.471 10 5 EGBERN CC(=O)c1c(N[C@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136110 1301844075 /nfs/dbraw/zinc/84/40/75/1301844075.db2.gz HYEWVYLDRRBCFL-INIZCTEOSA-N 0 0 325.368 3.396 10 5 EGBERN CC(=O)c1c(N[C@@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136112 1301844363 /nfs/dbraw/zinc/84/43/63/1301844363.db2.gz HYEWVYLDRRBCFL-MRXNPFEDSA-N 0 0 325.368 3.396 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(O)(c2ccccc2)CC1 ZINC000882194544 1301873845 /nfs/dbraw/zinc/87/38/45/1301873845.db2.gz ZQYSFGCKBNGTCV-UHFFFAOYSA-N 0 0 340.379 3.285 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000882551993 1302016700 /nfs/dbraw/zinc/01/67/00/1302016700.db2.gz ZYCJIOHWABGOPM-CYBMUJFWSA-N 0 0 332.400 3.090 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCc2nc(C(C)C)ncc2C1 ZINC000882649700 1302044921 /nfs/dbraw/zinc/04/49/21/1302044921.db2.gz AAYSMPPFSZPUON-UHFFFAOYSA-N 0 0 340.383 3.274 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@]23CCCO3)c(Br)c1 ZINC000882984175 1302192085 /nfs/dbraw/zinc/19/20/85/1302192085.db2.gz YFOJIKSHBJWXBA-YPMHNXCESA-N 0 0 342.193 3.266 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000883668721 1302543478 /nfs/dbraw/zinc/54/34/78/1302543478.db2.gz IISMFTBZUOISQI-SWLSCSKDSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(NC[C@H]1CC2(CCC2)CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000887183814 1303698904 /nfs/dbraw/zinc/69/89/04/1303698904.db2.gz KSNZPYWRVMMFPA-LLVKDONJSA-N 0 0 339.779 3.329 10 5 EGBERN CC(=O)[C@H]1CC[C@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000887255345 1303721133 /nfs/dbraw/zinc/72/11/33/1303721133.db2.gz KUAHEGDZKHLVFK-FYFZZSKRSA-N 0 0 330.384 3.262 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)C1CCCC1 ZINC000889112586 1304389264 /nfs/dbraw/zinc/38/92/64/1304389264.db2.gz CMGYPDKIHOIYRC-GZKZCVOOSA-N 0 0 332.400 3.056 10 5 EGBERN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000889371648 1304460928 /nfs/dbraw/zinc/46/09/28/1304460928.db2.gz VKMSCLGBLXGLNM-ZDUSSCGKSA-N 0 0 343.383 3.117 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])OC1 ZINC000893333828 1305835839 /nfs/dbraw/zinc/83/58/39/1305835839.db2.gz XLOCWVYHAQYHBV-JTQLQIEISA-N 0 0 326.780 3.183 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)CC(F)F ZINC000893374169 1305855759 /nfs/dbraw/zinc/85/57/59/1305855759.db2.gz FPMHVQKHDFMKIK-UHFFFAOYSA-N 0 0 329.347 3.072 10 5 EGBERN COCC1CC(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000893636231 1305999030 /nfs/dbraw/zinc/99/90/30/1305999030.db2.gz NEMUSDQGMNEGAO-UHFFFAOYSA-N 0 0 348.380 3.300 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893885948 1306113849 /nfs/dbraw/zinc/11/38/49/1306113849.db2.gz IGJINQCBWBTZNP-SECBINFHSA-N 0 0 334.763 3.050 10 5 EGBERN CSc1cccc(C(=O)NCC[C@@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC000894498995 1308924100 /nfs/dbraw/zinc/92/41/00/1308924100.db2.gz DETHQUVHYGAXHH-LLVKDONJSA-N 0 0 338.429 3.252 10 5 EGBERN COc1ccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894674313 1309017059 /nfs/dbraw/zinc/01/70/59/1309017059.db2.gz XJUOVVHVDUVMKD-QGZVFWFLSA-N 0 0 348.399 3.073 10 5 EGBERN CCn1cc(Cl)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000894894970 1309118674 /nfs/dbraw/zinc/11/86/74/1309118674.db2.gz LULIRQYGOYCFSQ-UHFFFAOYSA-N 0 0 336.779 3.381 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCS[C@H](C(F)(F)F)C1 ZINC000895599702 1309423377 /nfs/dbraw/zinc/42/33/77/1309423377.db2.gz URMJBHWUHBTTCD-LBPRGKRZSA-N 0 0 334.319 3.282 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C2CCOCC2)C1 ZINC000896588526 1309925639 /nfs/dbraw/zinc/92/56/39/1309925639.db2.gz CODVNGKCVBYTAR-HNNXBMFYSA-N 0 0 332.400 3.440 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000897012750 1310135214 /nfs/dbraw/zinc/13/52/14/1310135214.db2.gz IHXFNHUKZJSFMX-COMQUAJESA-N 0 0 341.367 3.143 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000897568246 1310384739 /nfs/dbraw/zinc/38/47/39/1310384739.db2.gz RBZMZSTURNRQAD-JKSUJKDBSA-N 0 0 332.400 3.440 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898409603 1310720289 /nfs/dbraw/zinc/72/02/89/1310720289.db2.gz HQBWOAIYAFJQEU-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](O)c3ccccc32)c1C ZINC000898723657 1310831404 /nfs/dbraw/zinc/83/14/04/1310831404.db2.gz JDHROONQAARUAF-ZBFHGGJFSA-N 0 0 326.352 3.120 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)c1C ZINC000898988149 1310900534 /nfs/dbraw/zinc/90/05/34/1310900534.db2.gz SXHYHXILFJIDNR-NSHDSACASA-N 0 0 346.305 3.005 10 5 EGBERN COC(=O)c1ccc(OC(=O)C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000857605501 1328561829 /nfs/dbraw/zinc/56/18/29/1328561829.db2.gz NAKRUBUXSUWSOE-UHFFFAOYSA-N 0 0 349.261 3.265 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000857637200 1328570668 /nfs/dbraw/zinc/57/06/68/1328570668.db2.gz XYSQIXAWRXWNPW-JGVFFNPUSA-N 0 0 348.233 3.387 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)OC[C@H]2C)cc1Cl ZINC000857642899 1328573154 /nfs/dbraw/zinc/57/31/54/1328573154.db2.gz LPDLNJXBALOLGT-LLVKDONJSA-N 0 0 338.791 3.340 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc(F)ccc21 ZINC000857898321 1328618258 /nfs/dbraw/zinc/61/82/58/1328618258.db2.gz WMSOWLCKOLHLBU-JTQLQIEISA-N 0 0 347.371 3.199 10 5 EGBERN COc1cc(CCNC(=O)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000929548705 1328631070 /nfs/dbraw/zinc/63/10/70/1328631070.db2.gz KXOYZEBXDCTDTN-CYBMUJFWSA-N 0 0 348.399 3.017 10 5 EGBERN Cn1cccc1[C@H]1CCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929552318 1328633142 /nfs/dbraw/zinc/63/31/42/1328633142.db2.gz KJEHARWXMLWMPH-QGZVFWFLSA-N 0 0 345.374 3.369 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1Cl ZINC000857971079 1328644220 /nfs/dbraw/zinc/64/42/20/1328644220.db2.gz WIMVISDQIDEDDM-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858211897 1328712569 /nfs/dbraw/zinc/71/25/69/1328712569.db2.gz UQUHOOATOAIYBF-UHFFFAOYSA-N 0 0 348.712 3.290 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCC(F)(F)C1 ZINC000913385067 1319020719 /nfs/dbraw/zinc/02/07/19/1319020719.db2.gz NPXGBLGQFDYLLP-QMMMGPOBSA-N 0 0 336.697 3.439 10 5 EGBERN CCc1nc(C)c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)o1 ZINC000913386201 1319021200 /nfs/dbraw/zinc/02/12/00/1319021200.db2.gz QCCGRJYAVROVAU-UHFFFAOYSA-N 0 0 341.726 3.176 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)Cc2c[nH]nc21 ZINC000913596813 1319068766 /nfs/dbraw/zinc/06/87/66/1319068766.db2.gz WXEYOBFFWPDHOK-SECBINFHSA-N 0 0 342.380 3.292 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000913648285 1319086299 /nfs/dbraw/zinc/08/62/99/1319086299.db2.gz YAHWHUDFFJJDOH-UHFFFAOYSA-N 0 0 329.759 3.042 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000914572119 1319347986 /nfs/dbraw/zinc/34/79/86/1319347986.db2.gz YMPRDBSMJAGQSV-XQRVVYSFSA-N 0 0 347.396 3.201 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000858692447 1328832710 /nfs/dbraw/zinc/83/27/10/1328832710.db2.gz WKTHBFNNAPOFNO-SECBINFHSA-N 0 0 330.262 3.287 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1c(F)ccc(C)c1F ZINC000916772198 1319706949 /nfs/dbraw/zinc/70/69/49/1319706949.db2.gz AAOATZBLBXIIDF-UHFFFAOYSA-N 0 0 346.131 3.497 10 5 EGBERN CN(C)c1ncc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc21 ZINC000917484998 1319820722 /nfs/dbraw/zinc/82/07/22/1319820722.db2.gz QXRICWZYQKBURL-UHFFFAOYSA-N 0 0 337.383 3.331 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(C(F)(F)F)n(C)n1 ZINC000930438828 1328854991 /nfs/dbraw/zinc/85/49/91/1328854991.db2.gz CXLIUUYYULDQBI-UHFFFAOYSA-N 0 0 342.321 3.022 10 5 EGBERN COC(=O)c1cccc(OC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000917848378 1319881118 /nfs/dbraw/zinc/88/11/18/1319881118.db2.gz ZRGBNJWUJUTGMI-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1ccc(F)cc1 ZINC000918534478 1319971784 /nfs/dbraw/zinc/97/17/84/1319971784.db2.gz KWDUWIOILPGGTJ-UHFFFAOYSA-N 0 0 333.315 3.419 10 5 EGBERN CN(C[C@H]1CCCOC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859275047 1328959388 /nfs/dbraw/zinc/95/93/88/1328959388.db2.gz YCJAQRQXBXPJIJ-CYBMUJFWSA-N 0 0 328.368 3.247 10 5 EGBERN Cc1ncc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000930811219 1328977127 /nfs/dbraw/zinc/97/71/27/1328977127.db2.gz VMULHMMGZRIPTG-WKILWMFISA-N 0 0 345.399 3.197 10 5 EGBERN CC(C)(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000859448799 1328988879 /nfs/dbraw/zinc/98/88/79/1328988879.db2.gz MZYQCJRSAGVSJX-UHFFFAOYSA-N 0 0 341.363 3.227 10 5 EGBERN C/C(=C/C(=O)N1CC(CC2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000919751916 1322103894 /nfs/dbraw/zinc/10/38/94/1322103894.db2.gz HDPQNLHJGGEFAC-UVTDQMKNSA-N 0 0 344.411 3.273 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCCSCc1ccccc1 ZINC000920252031 1322155638 /nfs/dbraw/zinc/15/56/38/1322155638.db2.gz GBBDSYUNITZGTK-UHFFFAOYSA-N 0 0 345.424 3.056 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CC[C@@H]3CCCCO3)n2)c1 ZINC000920410832 1322174492 /nfs/dbraw/zinc/17/44/92/1322174492.db2.gz FKDUHYYUKDAEGM-ZDUSSCGKSA-N 0 0 336.779 3.466 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3cnoc3C3CC3)n2)c1 ZINC000920412512 1322174755 /nfs/dbraw/zinc/17/47/55/1322174755.db2.gz RZOJGDPAJGIRPB-UHFFFAOYSA-N 0 0 345.746 3.420 10 5 EGBERN COCCOCCC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000920790920 1322223119 /nfs/dbraw/zinc/22/31/19/1322223119.db2.gz BQXRECSGTJUMPI-UHFFFAOYSA-N 0 0 345.351 3.220 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)OCC(C)C ZINC000920793075 1322223454 /nfs/dbraw/zinc/22/34/54/1322223454.db2.gz KARBQJMACYCKAW-GFCCVEGCSA-N 0 0 325.361 3.098 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000920954405 1322238310 /nfs/dbraw/zinc/23/83/10/1322238310.db2.gz KENVPQPEKUKKDS-PKOBYXMFSA-N 0 0 340.379 3.166 10 5 EGBERN CC[C@H](NC(=O)N1CCOC[C@@H]1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335662 1322294430 /nfs/dbraw/zinc/29/44/30/1322294430.db2.gz PVTUTFKPJYWWBV-IRXDYDNUSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335511 1322294841 /nfs/dbraw/zinc/29/48/41/1322294841.db2.gz LMXJCXRAJWDBAC-HOTGVXAUSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCOC[C@H]2CC2CC2)cc1[N+](=O)[O-] ZINC000921337921 1322295687 /nfs/dbraw/zinc/29/56/87/1322295687.db2.gz XTRVPNZAKRJSCL-XJKSGUPXSA-N 0 0 347.415 3.175 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000921337005 1322295976 /nfs/dbraw/zinc/29/59/76/1322295976.db2.gz CCLLYWMGJHXLQF-CZUORRHYSA-N 0 0 347.415 3.365 10 5 EGBERN C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000930973411 1329019264 /nfs/dbraw/zinc/01/92/64/1329019264.db2.gz VOCFEDKMBPWCHB-NXEZZACHSA-N 0 0 341.205 3.014 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCC3(CCCCO3)CC2)c1[N+](=O)[O-] ZINC000922070577 1322448400 /nfs/dbraw/zinc/44/84/00/1322448400.db2.gz KBBFZXWYISRULH-UHFFFAOYSA-N 0 0 336.363 3.218 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC2(CCCCO2)CC1 ZINC000922075813 1322449491 /nfs/dbraw/zinc/44/94/91/1322449491.db2.gz GUZIUHDOJDSGMN-YVMONPNESA-N 0 0 330.384 3.170 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1F ZINC000922354378 1322508587 /nfs/dbraw/zinc/50/85/87/1322508587.db2.gz CGXWOLMFJWHWKD-KWQFWETISA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1F ZINC000922372796 1322512153 /nfs/dbraw/zinc/51/21/53/1322512153.db2.gz GWWZJBDUGLJWFN-LDYMZIIASA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000922401482 1322520912 /nfs/dbraw/zinc/52/09/12/1322520912.db2.gz NYZGPDDUJYLURU-ZFRGLUTLSA-N 0 0 333.237 3.321 10 5 EGBERN Cc1c(CC(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922547077 1322554032 /nfs/dbraw/zinc/55/40/32/1322554032.db2.gz LKGIQICQEWJMJV-WCQYABFASA-N 0 0 347.289 3.099 10 5 EGBERN CC(=O)NCCCCCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000922761523 1322612552 /nfs/dbraw/zinc/61/25/52/1322612552.db2.gz BYPLDJJSYOSWGM-UHFFFAOYSA-N 0 0 342.779 3.020 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922934135 1322653655 /nfs/dbraw/zinc/65/36/55/1322653655.db2.gz NIQFZRQQPYWOEJ-TZMCWYRMSA-N 0 0 349.456 3.488 10 5 EGBERN CCn1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2OC)cc1C1CC1 ZINC000923510724 1322766142 /nfs/dbraw/zinc/76/61/42/1322766142.db2.gz AMBCUDOANQGMAE-UHFFFAOYSA-N 0 0 345.355 3.054 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1CCC[C@@H](O)C1 ZINC000923598505 1322779367 /nfs/dbraw/zinc/77/93/67/1322779367.db2.gz KMSYFSZFOTYUEJ-SMDDNHRTSA-N 0 0 341.791 3.275 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCCn1ccnc1 ZINC000923595899 1322779635 /nfs/dbraw/zinc/77/96/35/1322779635.db2.gz XJFORJHTJAQGOZ-UHFFFAOYSA-N 0 0 337.763 3.011 10 5 EGBERN CNc1nccc(C(=O)N(CC2CC2)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000923673330 1322788973 /nfs/dbraw/zinc/78/89/73/1322788973.db2.gz IKRGAIUEDNXAIF-UHFFFAOYSA-N 0 0 340.383 3.397 10 5 EGBERN CCC(=O)CCCOC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923967975 1322859251 /nfs/dbraw/zinc/85/92/51/1322859251.db2.gz UVZQNLSOEYXYFY-UHFFFAOYSA-N 0 0 327.764 3.483 10 5 EGBERN O=C(COC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000923967392 1322859551 /nfs/dbraw/zinc/85/95/51/1322859551.db2.gz NYHRTIHGENOLPH-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C2(CCc3ccccc3)CC2)n1 ZINC000924014093 1322872894 /nfs/dbraw/zinc/87/28/94/1322872894.db2.gz IQAQWQXQQHDIEO-UHFFFAOYSA-N 0 0 339.355 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@H]2CC(C)(C)CO2)c1F ZINC000924178241 1322924458 /nfs/dbraw/zinc/92/44/58/1322924458.db2.gz GTNZGTXNWBPPPQ-JTQLQIEISA-N 0 0 342.342 3.116 10 5 EGBERN C[C@H]1C[C@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924240213 1322948830 /nfs/dbraw/zinc/94/88/30/1322948830.db2.gz IIADCIUGWFTNGI-CMPLNLGQSA-N 0 0 327.764 3.149 10 5 EGBERN CCCCC1(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000924427473 1323020874 /nfs/dbraw/zinc/02/08/74/1323020874.db2.gz LCRDSNASWYJMSZ-UHFFFAOYSA-N 0 0 338.335 3.186 10 5 EGBERN CC(C)=CC[C@@H]1NC(=O)N([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000924795051 1323165373 /nfs/dbraw/zinc/16/53/73/1323165373.db2.gz UZWSIPYAZUETSX-OCCSQVGLSA-N 0 0 331.372 3.241 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCOC12CCCC2 ZINC000931296428 1329087812 /nfs/dbraw/zinc/08/78/12/1329087812.db2.gz GKHXPVFUXDHJAK-GFCCVEGCSA-N 0 0 339.779 3.471 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@]12C[C@H]1COC21CCC1 ZINC000931297201 1329088494 /nfs/dbraw/zinc/08/84/94/1329088494.db2.gz FZENUSNMKABDDN-BJOHPYRUSA-N 0 0 337.763 3.081 10 5 EGBERN C[C@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000859927211 1329110920 /nfs/dbraw/zinc/11/09/20/1329110920.db2.gz AQLAYFHQLVIWMW-VIFPVBQESA-N 0 0 325.271 3.033 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCO[C@H](CCF)C1 ZINC000859908022 1329109315 /nfs/dbraw/zinc/10/93/15/1329109315.db2.gz BMKBJEMSWDOVER-LLVKDONJSA-N 0 0 337.178 3.462 10 5 EGBERN CC1(C)C[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000931612097 1329153080 /nfs/dbraw/zinc/15/30/80/1329153080.db2.gz WWMIYKPOKLOXNS-SNVBAGLBSA-N 0 0 339.367 3.449 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925517383 1325186940 /nfs/dbraw/zinc/18/69/40/1325186940.db2.gz GJKIXOLLRACYFY-HIFRSBDPSA-N 0 0 349.431 3.297 10 5 EGBERN C[C@@H](OC(=O)C[C@@H](C)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860317607 1329303929 /nfs/dbraw/zinc/30/39/29/1329303929.db2.gz BYYRAVYIODHUIQ-RKDXNWHRSA-N 0 0 348.277 3.054 10 5 EGBERN CCC(CC)(CO)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860383795 1329311370 /nfs/dbraw/zinc/31/13/70/1329311370.db2.gz FUBINMUHFQFNBD-UHFFFAOYSA-N 0 0 330.384 3.277 10 5 EGBERN CC[C@@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860990892 1329376433 /nfs/dbraw/zinc/37/64/33/1329376433.db2.gz LPZRUDNMGFVPCS-LJQANCHMSA-N 0 0 342.395 3.373 10 5 EGBERN C[C@H](NCc1nc2c(s1)COCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000927114421 1327873521 /nfs/dbraw/zinc/87/35/21/1327873521.db2.gz FNXPZMKUKYGOFA-VIFPVBQESA-N 0 0 337.376 3.114 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCS1 ZINC000927247390 1327931227 /nfs/dbraw/zinc/93/12/27/1327931227.db2.gz NPVXWRDRTQHAJW-JSGCOSHPSA-N 0 0 337.445 3.063 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1OC ZINC000927462226 1328033947 /nfs/dbraw/zinc/03/39/47/1328033947.db2.gz MUIIOTYYGZQRSI-KPZWWZAWSA-N 0 0 348.399 3.312 10 5 EGBERN COC[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000927589574 1328073644 /nfs/dbraw/zinc/07/36/44/1328073644.db2.gz KHAWIBVDKFBEAB-HNNXBMFYSA-N 0 0 349.431 3.187 10 5 EGBERN CCc1ccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928140465 1328214305 /nfs/dbraw/zinc/21/43/05/1328214305.db2.gz YTHLBCQWYFRKMF-GFCCVEGCSA-N 0 0 348.346 3.277 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928144427 1328215904 /nfs/dbraw/zinc/21/59/04/1328215904.db2.gz XHKFQOZPUCCCJD-GCLPIYDQSA-N 0 0 346.330 3.114 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cc(F)ccc1OC ZINC000928783662 1328436226 /nfs/dbraw/zinc/43/62/26/1328436226.db2.gz HAKZOQXHJYCCGP-HNNXBMFYSA-N 0 0 347.346 3.327 10 5 EGBERN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccns1 ZINC000863603333 1329565884 /nfs/dbraw/zinc/56/58/84/1329565884.db2.gz KSWRPYWYYNUTSX-SECBINFHSA-N 0 0 332.385 3.117 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC2(CC2)CC1 ZINC000863642628 1329569888 /nfs/dbraw/zinc/56/98/88/1329569888.db2.gz JMUSQCZDUPDCMJ-UHFFFAOYSA-N 0 0 347.371 3.228 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000863648801 1329570203 /nfs/dbraw/zinc/57/02/03/1329570203.db2.gz JOQZDZPBFWOGDW-CYBMUJFWSA-N 0 0 344.342 3.378 10 5 EGBERN C[C@@H]1CCCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864444370 1329614964 /nfs/dbraw/zinc/61/49/64/1329614964.db2.gz AGYPEMXXZHQXAA-SNVBAGLBSA-N 0 0 341.205 3.301 10 5 EGBERN C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000864660699 1329635149 /nfs/dbraw/zinc/63/51/49/1329635149.db2.gz HLNAGGZUQCPTCD-LLVKDONJSA-N 0 0 333.775 3.405 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865202990 1329676261 /nfs/dbraw/zinc/67/62/61/1329676261.db2.gz QMHSSZMOZUYJBK-CQSZACIVSA-N 0 0 338.379 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865260420 1329680773 /nfs/dbraw/zinc/68/07/73/1329680773.db2.gz OJCHUFVKLDEAGK-SWLSCSKDSA-N 0 0 335.429 3.086 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2CC3(CO2)CCOCC3)cc1F ZINC000865368465 1329689485 /nfs/dbraw/zinc/68/94/85/1329689485.db2.gz UIEXKPDMBLVWMU-JTQLQIEISA-N 0 0 345.754 3.352 10 5 EGBERN CCC[C@@H](O)CCCSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000865381623 1329690476 /nfs/dbraw/zinc/69/04/76/1329690476.db2.gz LSRJJFLEEDIZCY-GFCCVEGCSA-N 0 0 344.408 3.347 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCO[C@@H](C3CCCCC3)C2)cc1F ZINC000865677658 1329728426 /nfs/dbraw/zinc/72/84/26/1329728426.db2.gz GQSPIBFTLLLRKX-QGZVFWFLSA-N 0 0 338.379 3.012 10 5 EGBERN CC[C@@H](C)CN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865691170 1329729732 /nfs/dbraw/zinc/72/97/32/1329729732.db2.gz UYOUITVLZZAJMH-SNVBAGLBSA-N 0 0 343.221 3.404 10 5 EGBERN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000865898769 1329750262 /nfs/dbraw/zinc/75/02/62/1329750262.db2.gz KHEZVDGVYLQYIW-LBPRGKRZSA-N 0 0 331.347 3.281 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1c2ccccc2OC[C@H]1CO ZINC000934217065 1329956791 /nfs/dbraw/zinc/95/67/91/1329956791.db2.gz ZODCZCMAHNSJBE-SJKOYZFVSA-N 0 0 348.786 3.080 10 5 EGBERN CC(=O)c1cc(N2CCC[C@@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051077 1330059681 /nfs/dbraw/zinc/05/96/81/1330059681.db2.gz HNTXARLOBITDHW-RTBURBONSA-N 0 0 340.379 3.500 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000866075747 1330062544 /nfs/dbraw/zinc/06/25/44/1330062544.db2.gz CBOAGTRHRWSMLD-IAGOWNOFSA-N 0 0 341.367 3.325 10 5 EGBERN CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000866099622 1330065356 /nfs/dbraw/zinc/06/53/56/1330065356.db2.gz OBJSIDXRPAXANE-ZDUSSCGKSA-N 0 0 325.340 3.203 10 5 EGBERN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000866132146 1330068864 /nfs/dbraw/zinc/06/88/64/1330068864.db2.gz AXOUJQFTQWONBV-MRXNPFEDSA-N 0 0 334.326 3.265 10 5 EGBERN Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000866141528 1330070053 /nfs/dbraw/zinc/07/00/53/1330070053.db2.gz XIVATBFCHOYGFO-UHFFFAOYSA-N 0 0 331.397 3.233 10 5 EGBERN O=[N+]([O-])c1ccsc1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000866153981 1330071616 /nfs/dbraw/zinc/07/16/16/1330071616.db2.gz MWHQBZPKUMBGEE-UMSPYCQHSA-N 0 0 338.410 3.073 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000866157887 1330071728 /nfs/dbraw/zinc/07/17/28/1330071728.db2.gz DNUCZXIPHGHGCV-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN Cc1ccc(CNc2ccc3nnc([C@H]4C[C@@H]4C)n3n2)cc1[N+](=O)[O-] ZINC000866181791 1330074500 /nfs/dbraw/zinc/07/45/00/1330074500.db2.gz MVAGNPUSDBBQKW-AAEUAGOBSA-N 0 0 338.371 3.076 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)C(C)(F)F ZINC000866184978 1330075317 /nfs/dbraw/zinc/07/53/17/1330075317.db2.gz JZCQJJCYYWQXHI-UHFFFAOYSA-N 0 0 330.257 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCNC3=O)cc2)c1 ZINC000866196739 1330076835 /nfs/dbraw/zinc/07/68/35/1330076835.db2.gz FVVDTOQPPHNKNP-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN CC1(C)C[C@@H](O)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000866230266 1330081130 /nfs/dbraw/zinc/08/11/30/1330081130.db2.gz ZVXURZXTNAUEQB-CYBMUJFWSA-N 0 0 333.413 3.316 10 5 EGBERN Cc1cc(N2Cc3cccnc3N3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000866252724 1330085763 /nfs/dbraw/zinc/08/57/63/1330085763.db2.gz OBWQVSCBCMGLOR-ZDUSSCGKSA-N 0 0 330.413 3.349 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866374824 1330103279 /nfs/dbraw/zinc/10/32/79/1330103279.db2.gz OKKABSQPSIRXTB-JHSBQLIOSA-N 0 0 332.400 3.286 10 5 EGBERN Cc1ccc(CN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000866540576 1330124081 /nfs/dbraw/zinc/12/40/81/1330124081.db2.gz QRFUWCSPGUJPNJ-MRXNPFEDSA-N 0 0 329.404 3.433 10 5 EGBERN CC(C)C1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866934993 1330159002 /nfs/dbraw/zinc/15/90/02/1330159002.db2.gz QWEJXSQHHIBYOA-UHFFFAOYSA-N 0 0 341.205 3.014 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000868309003 1330269218 /nfs/dbraw/zinc/26/92/18/1330269218.db2.gz GFNYNSITNAAJBO-RHSMWYFYSA-N 0 0 349.431 3.126 10 5 EGBERN CCc1cnccc1[C@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868475531 1330283940 /nfs/dbraw/zinc/28/39/40/1330283940.db2.gz HMMUZUOTPDQTSB-ZDUSSCGKSA-N 0 0 342.399 3.421 10 5 EGBERN Cc1ccc(CNC(=O)N(C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000869053128 1330403390 /nfs/dbraw/zinc/40/33/90/1330403390.db2.gz IJCJCNRSWNIJND-UHFFFAOYSA-N 0 0 333.413 3.349 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000869593940 1330529302 /nfs/dbraw/zinc/52/93/02/1330529302.db2.gz BZOGKARAHUTETK-GFCCVEGCSA-N 0 0 338.429 3.255 10 5 EGBERN O=C(NCC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000869601438 1330531005 /nfs/dbraw/zinc/53/10/05/1330531005.db2.gz WPYHYYYGNUHMPY-VIFPVBQESA-N 0 0 346.355 3.069 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000869746022 1330558511 /nfs/dbraw/zinc/55/85/11/1330558511.db2.gz AHUGEBBOSVNXMO-INIZCTEOSA-N 0 0 329.400 3.258 10 5 EGBERN O=C(OC[C@@H]1CCC[C@@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809778 1330568357 /nfs/dbraw/zinc/56/83/57/1330568357.db2.gz AGXSDHABETXRAC-CZUORRHYSA-N 0 0 333.384 3.111 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C(=S)NCc1ccccc1)CC2 ZINC001323744029 1387440119 /nfs/dbraw/zinc/44/01/19/1387440119.db2.gz VMPLFNOSKVTAMT-UHFFFAOYSA-N 0 0 327.409 3.028 10 5 EGBERN CN(C[C@@H]1COc2ccccc2O1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001184516371 1387481684 /nfs/dbraw/zinc/48/16/84/1387481684.db2.gz SOIQSKYPMNTHRU-LLVKDONJSA-N 0 0 336.294 3.149 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H]1COc3ccccc3O1)CCCC2 ZINC001184750231 1387527856 /nfs/dbraw/zinc/52/78/56/1387527856.db2.gz JRKMDWADGWWIFL-ZDUSSCGKSA-N 0 0 341.367 3.121 10 5 EGBERN CC(C)(C)c1csc(CCNc2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001185306565 1387677339 /nfs/dbraw/zinc/67/73/39/1387677339.db2.gz RVNRINPXSKEADL-UHFFFAOYSA-N 0 0 340.836 3.474 10 5 EGBERN CC[C@@H](C)[C@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001185354086 1387691296 /nfs/dbraw/zinc/69/12/96/1387691296.db2.gz BIKNRVBZKSXPQE-QLJPJBMISA-N 0 0 337.807 3.427 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)CCc1cccn1C ZINC001185377280 1387697261 /nfs/dbraw/zinc/69/72/61/1387697261.db2.gz NFGYQWIJMLQIFX-ZDUSSCGKSA-N 0 0 345.399 3.462 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@@H](O)c2ccccc2Cl)cc1F ZINC001185429263 1387713951 /nfs/dbraw/zinc/71/39/51/1387713951.db2.gz GVBMCEWZLUUZOT-OAHLLOKOSA-N 0 0 340.738 3.025 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[C@@]1(C)c1ccccc1 ZINC001185555417 1387746495 /nfs/dbraw/zinc/74/64/95/1387746495.db2.gz QSRATJSMJDXPJD-HZMBPMFUSA-N 0 0 340.305 3.489 10 5 EGBERN CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001185621091 1387762458 /nfs/dbraw/zinc/76/24/58/1387762458.db2.gz PCHDXMAIFCRPBH-NSHDSACASA-N 0 0 339.754 3.474 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(CO)cc1 ZINC001185913860 1387826589 /nfs/dbraw/zinc/82/65/89/1387826589.db2.gz DBNFSQNPUCRJIG-UHFFFAOYSA-N 0 0 344.392 3.131 10 5 EGBERN COc1cc(Br)cc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001185995544 1387843973 /nfs/dbraw/zinc/84/39/73/1387843973.db2.gz HBFHCVBONKURQI-UHFFFAOYSA-N 0 0 340.133 3.210 10 5 EGBERN CO[C@@H](Cc1ccccc1)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC001189423318 1367017598 /nfs/dbraw/zinc/01/75/98/1367017598.db2.gz FNECOARPMUTNTF-HNNXBMFYSA-N 0 0 338.363 3.167 10 5 EGBERN CN(C(=O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)c1ccccc1 ZINC001189615674 1367069206 /nfs/dbraw/zinc/06/92/06/1367069206.db2.gz DUCUZUJPOUASOD-UHFFFAOYSA-N 0 0 336.351 3.121 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001193130936 1367950371 /nfs/dbraw/zinc/95/03/71/1367950371.db2.gz RLKFCMLOFUZVEU-UHFFFAOYSA-N 0 0 334.278 3.479 10 5 EGBERN CCCN(CC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001193210495 1367967665 /nfs/dbraw/zinc/96/76/65/1367967665.db2.gz NLIGWVJKJVOFLX-UHFFFAOYSA-N 0 0 326.368 3.288 10 5 EGBERN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1CC[N+](=O)[O-] ZINC001194665751 1368304780 /nfs/dbraw/zinc/30/47/80/1368304780.db2.gz OGRISVZJLNNYFZ-KRWDZBQOSA-N 0 0 339.867 3.149 10 5 EGBERN COC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001195567539 1368455195 /nfs/dbraw/zinc/45/51/95/1368455195.db2.gz MWSJFIYSLPKCFV-OAHLLOKOSA-N 0 0 348.786 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC[C@@]34CCOC4)co2)cc1 ZINC001198767835 1369108637 /nfs/dbraw/zinc/10/86/37/1369108637.db2.gz DOGXMLVABJVFOB-SFHVURJKSA-N 0 0 343.383 3.395 10 5 EGBERN CCOC(=O)[C@]1(F)CN(c2ccc([N+](=O)[O-])c(C)c2)CC12CCC2 ZINC001187006843 1388039440 /nfs/dbraw/zinc/03/94/40/1388039440.db2.gz CUDVSYQXDXXIRQ-QGZVFWFLSA-N 0 0 336.363 3.165 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)CC(F)F ZINC001326013306 1388101052 /nfs/dbraw/zinc/10/10/52/1388101052.db2.gz NMRJGXIHRYQPKA-VIFPVBQESA-N 0 0 329.303 3.255 10 5 EGBERN CCOc1ccc(-c2nnc(Cc3ccccn3)o2)cc1[N+](=O)[O-] ZINC001117264268 1371030874 /nfs/dbraw/zinc/03/08/74/1371030874.db2.gz ZTPPUNJJUQTYTB-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN C[C@]1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])OCCc2ccccc21 ZINC001187454450 1388111299 /nfs/dbraw/zinc/11/12/99/1388111299.db2.gz LZWJYABOLTVCFC-QGZVFWFLSA-N 0 0 343.339 3.403 10 5 EGBERN CSc1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC001118743186 1371219694 /nfs/dbraw/zinc/21/96/94/1371219694.db2.gz XTVJLGTXBGXSLJ-UHFFFAOYSA-N 0 0 330.369 3.259 10 5 EGBERN CCN(c1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001187586194 1388127962 /nfs/dbraw/zinc/12/79/62/1388127962.db2.gz KBRCZCBVNPIJPE-ZDUSSCGKSA-N 0 0 335.404 3.431 10 5 EGBERN CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001119642482 1371381333 /nfs/dbraw/zinc/38/13/33/1371381333.db2.gz ZSUQCZFLGKHBLL-CYBMUJFWSA-N 0 0 348.790 3.380 10 5 EGBERN COc1c(Cl)cccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001187757902 1388156069 /nfs/dbraw/zinc/15/60/69/1388156069.db2.gz QCVFERMAUNLMQG-UHFFFAOYSA-N 0 0 328.155 3.339 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001121186665 1371883093 /nfs/dbraw/zinc/88/30/93/1371883093.db2.gz GJNFHWTXRGGQQY-VXGBXAGGSA-N 0 0 338.429 3.346 10 5 EGBERN CO[C@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001187889900 1388184486 /nfs/dbraw/zinc/18/44/86/1388184486.db2.gz ZXOZNOCMXBCQBJ-MSOLQXFVSA-N 0 0 340.379 3.439 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](C(C)(C)C)CC2)c1 ZINC001187913970 1388189443 /nfs/dbraw/zinc/18/94/43/1388189443.db2.gz SGSSJQPYZMDOFL-HNNXBMFYSA-N 0 0 336.388 3.023 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001123347269 1372436186 /nfs/dbraw/zinc/43/61/86/1372436186.db2.gz ZLHURVFHVZEEBI-IUODEOHRSA-N 0 0 332.356 3.294 10 5 EGBERN O=[N+]([O-])Cc1nnc(N2CCCC3(CCCC3)CC2)n1CC1CC1 ZINC001123506906 1372491607 /nfs/dbraw/zinc/49/16/07/1372491607.db2.gz BYOGBHMLVMQGLH-UHFFFAOYSA-N 0 0 333.436 3.016 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001124006708 1372655927 /nfs/dbraw/zinc/65/59/27/1372655927.db2.gz POFUKUHIDGSCON-IAOVAPTHSA-N 0 0 332.400 3.258 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]2[C@H]2CCCOC2)cc1Cl ZINC001124120561 1372676396 /nfs/dbraw/zinc/67/63/96/1372676396.db2.gz UQVJAUQBFHRTBZ-FZMZJTMJSA-N 0 0 338.791 3.198 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001124183324 1372682130 /nfs/dbraw/zinc/68/21/30/1372682130.db2.gz DCDHXQWATRSXAE-WMLDXEAASA-N 0 0 345.443 3.316 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001124340454 1372693082 /nfs/dbraw/zinc/69/30/82/1372693082.db2.gz AQLBVOHPHORCQY-LSDHHAIUSA-N 0 0 327.296 3.245 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001124396148 1372698260 /nfs/dbraw/zinc/69/82/60/1372698260.db2.gz FRMMKCQLXRMQOA-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(C(F)(F)F)nc(C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC001124396483 1372698305 /nfs/dbraw/zinc/69/83/05/1372698305.db2.gz LYFSUPZWJCDIEI-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001124443691 1372702087 /nfs/dbraw/zinc/70/20/87/1372702087.db2.gz ICJOTWNHVZORLY-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001124550812 1372711647 /nfs/dbraw/zinc/71/16/47/1372711647.db2.gz IMDYVCSLMSDLSI-LLVKDONJSA-N 0 0 328.324 3.090 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@H]1C[C@H]1F ZINC001124561260 1372712082 /nfs/dbraw/zinc/71/20/82/1372712082.db2.gz TTYJWWIQNQJDDV-GXTWGEPZSA-N 0 0 328.299 3.122 10 5 EGBERN Cc1ccccc1[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001124574740 1372712782 /nfs/dbraw/zinc/71/27/82/1372712782.db2.gz VGOKVCIQLXDRPF-CQSZACIVSA-N 0 0 327.384 3.235 10 5 EGBERN O=C(Cc1nsc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124715311 1372724531 /nfs/dbraw/zinc/72/45/31/1372724531.db2.gz DXLQMQXDLOHQSU-UHFFFAOYSA-N 0 0 339.376 3.336 10 5 EGBERN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124878273 1372737275 /nfs/dbraw/zinc/73/72/75/1372737275.db2.gz UTLQLEZEDLTYTM-LAQFHYBYSA-N 0 0 342.399 3.335 10 5 EGBERN CNC(=O)c1ccc(C)c(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124884090 1372737446 /nfs/dbraw/zinc/73/74/46/1372737446.db2.gz NZWKJMRCXIJRHE-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN C/C=C/COc1cccc(CC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001125155790 1372757212 /nfs/dbraw/zinc/75/72/12/1372757212.db2.gz PFOOBHJOMPZKJA-NSCUHMNNSA-N 0 0 340.379 3.409 10 5 EGBERN COC(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001125185152 1372759079 /nfs/dbraw/zinc/75/90/79/1372759079.db2.gz LEIGSEAOFKMBIB-UHFFFAOYSA-N 0 0 347.302 3.093 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csnn2)cc1 ZINC001125245474 1372762696 /nfs/dbraw/zinc/76/26/96/1372762696.db2.gz CZZSRDWDIZHZMG-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN C[C@H](NC(=O)c1ncnc2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC001125252388 1372763570 /nfs/dbraw/zinc/76/35/70/1372763570.db2.gz ZHGXKRUYGVSITL-VIFPVBQESA-N 0 0 328.353 3.091 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3cc(F)ccc32)c1C ZINC001126121643 1372938098 /nfs/dbraw/zinc/93/80/98/1372938098.db2.gz WGTOURHAYBDJNC-UHFFFAOYSA-N 0 0 330.315 3.390 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c(F)ccc(F)c1Cl ZINC001126250443 1372952225 /nfs/dbraw/zinc/95/22/25/1372952225.db2.gz SOKIDCISCGDIQF-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN CC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001126278380 1372954079 /nfs/dbraw/zinc/95/40/79/1372954079.db2.gz ZHGMNRMOVKXDKP-PBFPGSCMSA-N 0 0 345.399 3.173 10 5 EGBERN Cc1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC001126784334 1373022774 /nfs/dbraw/zinc/02/27/74/1373022774.db2.gz WCWPWZBQLZQYRO-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc2C1 ZINC001126918943 1373051464 /nfs/dbraw/zinc/05/14/64/1373051464.db2.gz LQDVYBOAQWCMPI-GFCCVEGCSA-N 0 0 342.399 3.039 10 5 EGBERN C/C(=C\c1ccncc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127126867 1373092200 /nfs/dbraw/zinc/09/22/00/1373092200.db2.gz GWIGAMDSHPMKDE-DHZHZOJOSA-N 0 0 331.759 3.363 10 5 EGBERN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2nccn2c1 ZINC001127205478 1373103116 /nfs/dbraw/zinc/10/31/16/1373103116.db2.gz MSGZURYRRLJVNQ-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN C/C(=C/c1ccccn1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127206328 1373103810 /nfs/dbraw/zinc/10/38/10/1373103810.db2.gz ZBVOPJTYUSENRG-FLIBITNWSA-N 0 0 331.759 3.363 10 5 EGBERN Cc1cnc(COC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC001127563140 1373139828 /nfs/dbraw/zinc/13/98/28/1373139828.db2.gz KUBKDPGBMQKCCU-UHFFFAOYSA-N 0 0 330.218 3.267 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)c2ncccc2c1 ZINC001127642733 1373152229 /nfs/dbraw/zinc/15/22/29/1373152229.db2.gz SLTXILRFVAJSNH-UHFFFAOYSA-N 0 0 339.326 3.255 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC001128042367 1373211366 /nfs/dbraw/zinc/21/13/66/1373211366.db2.gz AEJZRZZVEXCHJI-ZDUSSCGKSA-N 0 0 348.305 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(C(N)=O)cc2)cc1Cl ZINC001128847199 1373315995 /nfs/dbraw/zinc/31/59/95/1373315995.db2.gz LHKCDFDNHHTJMD-UHFFFAOYSA-N 0 0 348.742 3.013 10 5 EGBERN Cc1nc(C2CCCC2)sc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128985899 1373331408 /nfs/dbraw/zinc/33/14/08/1373331408.db2.gz ZBEOHYPKSLLZSV-UHFFFAOYSA-N 0 0 335.389 3.003 10 5 EGBERN COc1nccc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC001129055503 1373340801 /nfs/dbraw/zinc/34/08/01/1373340801.db2.gz IDMYVJSBMSFAPN-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC001129083043 1373344040 /nfs/dbraw/zinc/34/40/40/1373344040.db2.gz FOESWPSEPWMVFG-UHFFFAOYSA-N 0 0 342.399 3.337 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001129134449 1373350254 /nfs/dbraw/zinc/35/02/54/1373350254.db2.gz ARESWHPQHFDHGQ-SOFGYWHQSA-N 0 0 345.307 3.039 10 5 EGBERN Cc1cnc(Cl)c(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1 ZINC001129217329 1373362235 /nfs/dbraw/zinc/36/22/35/1373362235.db2.gz WVFXKYCOOKVCIS-UHFFFAOYSA-N 0 0 335.722 3.294 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc2c(c1)nc(C)n2C ZINC001129253020 1373365320 /nfs/dbraw/zinc/36/53/20/1373365320.db2.gz JVIYNDZKVPKBSO-UHFFFAOYSA-N 0 0 341.323 3.018 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@@H]2CCc3ccccc32)n1 ZINC001129462546 1373386615 /nfs/dbraw/zinc/38/66/15/1373386615.db2.gz DTLDSSVASRYBGN-AWEZNQCLSA-N 0 0 325.368 3.148 10 5 EGBERN C[C@H]1CCCC[C@]1(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001129612241 1373402173 /nfs/dbraw/zinc/40/21/73/1373402173.db2.gz HFFZPKICRKDCEW-UGSOOPFHSA-N 0 0 342.399 3.479 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@H](C)C1 ZINC001130148647 1373461904 /nfs/dbraw/zinc/46/19/04/1373461904.db2.gz HGHQMJXONRWXAU-VXGBXAGGSA-N 0 0 334.372 3.017 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001130563500 1373560398 /nfs/dbraw/zinc/56/03/98/1373560398.db2.gz PRHIXZSWZLLGOL-UHFFFAOYSA-N 0 0 345.233 3.253 10 5 EGBERN CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001130709649 1373583144 /nfs/dbraw/zinc/58/31/44/1373583144.db2.gz FHVZISIAYRTWRN-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN CC(C)(CCC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] ZINC001130837656 1373597934 /nfs/dbraw/zinc/59/79/34/1373597934.db2.gz ZAMDURDMDNKHDW-UHFFFAOYSA-N 0 0 335.360 3.100 10 5 EGBERN COCc1csc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC001131081190 1373638488 /nfs/dbraw/zinc/63/84/88/1373638488.db2.gz QZXDTFPOKQNTPZ-UHFFFAOYSA-N 0 0 340.788 3.386 10 5 EGBERN CC(C)Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cn1 ZINC001131250625 1373669268 /nfs/dbraw/zinc/66/92/68/1373669268.db2.gz AGRYSGUDKHOBNC-UHFFFAOYSA-N 0 0 339.355 3.248 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC001131266194 1373672248 /nfs/dbraw/zinc/67/22/48/1373672248.db2.gz XTYCTVQNHSXRQD-AWEZNQCLSA-N 0 0 349.293 3.337 10 5 EGBERN Cc1cn2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2n1 ZINC001131393584 1373687737 /nfs/dbraw/zinc/68/77/37/1373687737.db2.gz DVGMVCKULRLEQO-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN Cc1cn2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2n1 ZINC001131397118 1373688481 /nfs/dbraw/zinc/68/84/81/1373688481.db2.gz MZLCTQVTUJEJPO-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@]2(O)CCc3ccccc32)c1 ZINC001326751680 1388298870 /nfs/dbraw/zinc/29/88/70/1388298870.db2.gz LHZQTIOXYAXYCM-GOSISDBHSA-N 0 0 346.358 3.013 10 5 EGBERN CCS(=O)(=O)c1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001188675678 1388358574 /nfs/dbraw/zinc/35/85/74/1388358574.db2.gz BSVGVMRAFBQKBT-UHFFFAOYSA-N 0 0 339.344 3.107 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@]1(C)CCCc2ccccc21 ZINC001132747619 1375543421 /nfs/dbraw/zinc/54/34/21/1375543421.db2.gz WGAICEPKZDHDKU-GOSISDBHSA-N 0 0 341.367 3.231 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)Cc3cccc(F)c32)n1 ZINC001132753191 1375548242 /nfs/dbraw/zinc/54/82/42/1375548242.db2.gz HMAKNLIXTQQXML-SNVBAGLBSA-N 0 0 329.331 3.276 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(Cl)n1 ZINC001133161336 1375815278 /nfs/dbraw/zinc/81/52/78/1375815278.db2.gz JRVCFWKSEREACB-UHFFFAOYSA-N 0 0 337.738 3.329 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc2ncccc12 ZINC001133464453 1376022387 /nfs/dbraw/zinc/02/23/87/1376022387.db2.gz ZPGFDEJQAXKNCT-FLIBITNWSA-N 0 0 333.347 3.473 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001133629510 1376127941 /nfs/dbraw/zinc/12/79/41/1376127941.db2.gz DISHODQJVDWYNF-INIZCTEOSA-N 0 0 338.367 3.212 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC001133654993 1376140503 /nfs/dbraw/zinc/14/05/03/1376140503.db2.gz VPBHIBUOQZNWNG-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133654402 1376140658 /nfs/dbraw/zinc/14/06/58/1376140658.db2.gz IRUJZVWTODLJBT-CSXHZRMWSA-N 0 0 341.323 3.394 10 5 EGBERN C[C@H](NC(=O)c1coc(=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC001133706743 1376167605 /nfs/dbraw/zinc/16/76/05/1376167605.db2.gz SEOHITNQBHHPKU-NSHDSACASA-N 0 0 338.319 3.192 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001133706878 1376167650 /nfs/dbraw/zinc/16/76/50/1376167650.db2.gz WCRGQIWQFXXSDI-ZFWWWQNUSA-N 0 0 348.305 3.244 10 5 EGBERN CCc1cc(C(=O)OC)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001133958956 1376284473 /nfs/dbraw/zinc/28/44/73/1376284473.db2.gz DCUYLFNTGQIEBG-UHFFFAOYSA-N 0 0 334.353 3.258 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnc(F)c(Cl)c2)c1F ZINC001134337612 1376483561 /nfs/dbraw/zinc/48/35/61/1376483561.db2.gz YYPNYGLULYJBHK-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001134381642 1376503569 /nfs/dbraw/zinc/50/35/69/1376503569.db2.gz HETOEEMXPKMKKB-AWEZNQCLSA-N 0 0 338.791 3.470 10 5 EGBERN COc1cc(C(=O)Nc2nccc(C(C)(C)C)n2)cc([N+](=O)[O-])c1C ZINC001134731871 1376684379 /nfs/dbraw/zinc/68/43/79/1376684379.db2.gz XXSXSTJYVWVTBO-UHFFFAOYSA-N 0 0 344.371 3.252 10 5 EGBERN COC(=O)c1coc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2F)n1 ZINC001189094995 1388457041 /nfs/dbraw/zinc/45/70/41/1388457041.db2.gz VOSSOQSUFDMZNY-SSDOTTSWSA-N 0 0 326.305 3.362 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001134962793 1376813372 /nfs/dbraw/zinc/81/33/72/1376813372.db2.gz HGCRUWXKQURTQQ-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001135494559 1377117850 /nfs/dbraw/zinc/11/78/50/1377117850.db2.gz GPLJUMRQJDKJHK-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC001264869937 1377144697 /nfs/dbraw/zinc/14/46/97/1377144697.db2.gz AQWPBVJKWKSMDL-ZIAGYGMSSA-N 0 0 336.436 3.068 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001135678972 1377181188 /nfs/dbraw/zinc/18/11/88/1377181188.db2.gz HWTYYWVWIUDWTF-UHFFFAOYSA-N 0 0 338.323 3.047 10 5 EGBERN Cc1csc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001136305640 1377375132 /nfs/dbraw/zinc/37/51/32/1377375132.db2.gz XLHHDPYWRPDICH-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN CCN(Cc1c(F)cccc1F)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136538401 1377403442 /nfs/dbraw/zinc/40/34/42/1377403442.db2.gz WCXAXSMHZZAEKI-UHFFFAOYSA-N 0 0 335.310 3.118 10 5 EGBERN Nc1c(F)cccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840441 1377428963 /nfs/dbraw/zinc/42/89/63/1377428963.db2.gz QGUXBULAVAHUIC-INIZCTEOSA-N 0 0 347.371 3.204 10 5 EGBERN O=C(NCC1(CO)CCCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001137333151 1377522968 /nfs/dbraw/zinc/52/29/68/1377522968.db2.gz UTGTYQRREPEQAW-UHFFFAOYSA-N 0 0 344.770 3.060 10 5 EGBERN CNc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC001137530756 1377561741 /nfs/dbraw/zinc/56/17/41/1377561741.db2.gz KUEXGLTYQRHQJM-UHFFFAOYSA-N 0 0 337.738 3.359 10 5 EGBERN Cc1ccccc1[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001137766671 1377613892 /nfs/dbraw/zinc/61/38/92/1377613892.db2.gz RADFHMVATSZHTK-ZDUSSCGKSA-N 0 0 334.759 3.020 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCc1nccs1)CC2 ZINC001137827650 1377623662 /nfs/dbraw/zinc/62/36/62/1377623662.db2.gz AATKISLGIKPOGQ-UHFFFAOYSA-N 0 0 331.397 3.272 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(C=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001137927489 1377645922 /nfs/dbraw/zinc/64/59/22/1377645922.db2.gz CYUAXJONIFSMDZ-KRWDZBQOSA-N 0 0 326.352 3.217 10 5 EGBERN O=C(NN1CCCc2ccccc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138790641 1377785831 /nfs/dbraw/zinc/78/58/31/1377785831.db2.gz WRRXXGKRTBZECB-DLBZAZTESA-N 0 0 337.379 3.182 10 5 EGBERN CC(C)(C)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001139098571 1377829649 /nfs/dbraw/zinc/82/96/49/1377829649.db2.gz VJVGYPOFUHCCGS-JTQLQIEISA-N 0 0 328.796 3.165 10 5 EGBERN C[C@@H]1C[C@H](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001139605144 1377916255 /nfs/dbraw/zinc/91/62/55/1377916255.db2.gz GNZRMYZBFSQECV-NEPJUHHUSA-N 0 0 334.420 3.154 10 5 EGBERN COc1cc(C(=O)NC[C@H]2CC3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001277033769 1378202233 /nfs/dbraw/zinc/20/22/33/1378202233.db2.gz PTBWSTVRAIRGFF-SSDMNJCBSA-N 0 0 332.400 3.468 10 5 EGBERN CCC(=O)NCc1ccc2c(c1)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC001281285198 1378410410 /nfs/dbraw/zinc/41/04/10/1378410410.db2.gz VBLNBNQZNVTBAF-UHFFFAOYSA-N 0 0 345.424 3.198 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)cc(F)c1 ZINC001143376649 1378588908 /nfs/dbraw/zinc/58/89/08/1378588908.db2.gz JABCAHJYSJKFFJ-UHFFFAOYSA-N 0 0 328.221 3.081 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327578216 1388562436 /nfs/dbraw/zinc/56/24/36/1388562436.db2.gz SVBZZISIFPNGOP-DDTOSNHZSA-N 0 0 341.310 3.198 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1N1CCCC1 ZINC001146186773 1378793046 /nfs/dbraw/zinc/79/30/46/1378793046.db2.gz QPXLEOJEUSIANA-UHFFFAOYSA-N 0 0 340.383 3.338 10 5 EGBERN CC[C@](C)(O)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001146335839 1378820094 /nfs/dbraw/zinc/82/00/94/1378820094.db2.gz MIZIRLKBSFWUMD-KRWDZBQOSA-N 0 0 330.340 3.487 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146543207 1378863513 /nfs/dbraw/zinc/86/35/13/1378863513.db2.gz AKWVCPAZQACBID-OCCSQVGLSA-N 0 0 325.368 3.195 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CO2 ZINC001149786129 1379446003 /nfs/dbraw/zinc/44/60/03/1379446003.db2.gz VMEZBRVWBQLNRO-CQSZACIVSA-N 0 0 346.770 3.349 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC001152653088 1379963049 /nfs/dbraw/zinc/96/30/49/1379963049.db2.gz YCIWGWXWCKNQNT-UHFFFAOYSA-N 0 0 343.358 3.069 10 5 EGBERN CCOc1cc(COC(=O)C[C@@H](C)n2ccc(C)n2)ccc1[N+](=O)[O-] ZINC001327996472 1388641301 /nfs/dbraw/zinc/64/13/01/1388641301.db2.gz MKORMSUOLZZABS-CYBMUJFWSA-N 0 0 347.371 3.193 10 5 EGBERN O=C(NOc1ccccc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001154220529 1380232059 /nfs/dbraw/zinc/23/20/59/1380232059.db2.gz SSPMREZBOLQSHL-UHFFFAOYSA-N 0 0 344.220 3.477 10 5 EGBERN Nc1ncc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001155917362 1380505226 /nfs/dbraw/zinc/50/52/26/1380505226.db2.gz MYDXJYYLHSDXHB-JKSUJKDBSA-N 0 0 348.362 3.011 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231754 1381168477 /nfs/dbraw/zinc/16/84/77/1381168477.db2.gz IRMQNHQPKKCSNE-NILFDRSVSA-N 0 0 325.368 3.474 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1c2ccccc2nn1C ZINC001287974256 1381458213 /nfs/dbraw/zinc/45/82/13/1381458213.db2.gz IZXDVGQTPYCBCV-UHFFFAOYSA-N 0 0 339.351 3.455 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccnn1C ZINC001288054445 1381548676 /nfs/dbraw/zinc/54/86/76/1381548676.db2.gz ZMIOYGPMPUJUMX-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001288236866 1381747829 /nfs/dbraw/zinc/74/78/29/1381747829.db2.gz KLIQOAHOQXLWJZ-FUHWJXTLSA-N 0 0 344.342 3.115 10 5 EGBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC001288345784 1381788388 /nfs/dbraw/zinc/78/83/88/1381788388.db2.gz KQJHHOFYQIUTNW-UHFFFAOYSA-N 0 0 341.186 3.349 10 5 EGBERN CC1(C)C[C@]1(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001288405362 1381803785 /nfs/dbraw/zinc/80/37/85/1381803785.db2.gz RTWGCGMBLOTMFM-OAHLLOKOSA-N 0 0 328.315 3.362 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001159535386 1381819641 /nfs/dbraw/zinc/81/96/41/1381819641.db2.gz PHUNENPWEHENGX-QGZVFWFLSA-N 0 0 342.326 3.280 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001288769609 1381931923 /nfs/dbraw/zinc/93/19/23/1381931923.db2.gz SHTPWRLMGAVOGR-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN O=C(NCc1cccc2c1OCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001289190200 1381979082 /nfs/dbraw/zinc/97/90/82/1381979082.db2.gz RZLNIJMUIVEZRQ-UHFFFAOYSA-N 0 0 349.346 3.008 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC001289396038 1381997985 /nfs/dbraw/zinc/99/79/85/1381997985.db2.gz SZOSXKLUEYTXLT-SNVBAGLBSA-N 0 0 328.324 3.179 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC12CCCCC2 ZINC001289489930 1382001324 /nfs/dbraw/zinc/00/13/24/1382001324.db2.gz DHQFPJGZEPYVQI-MRXNPFEDSA-N 0 0 332.400 3.433 10 5 EGBERN Nc1c(C(=O)NC2CCCCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001289988775 1382037856 /nfs/dbraw/zinc/03/78/56/1382037856.db2.gz ZOGSYWIBEYKOBW-UHFFFAOYSA-N 0 0 329.759 3.422 10 5 EGBERN Cc1csc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001290585424 1382098332 /nfs/dbraw/zinc/09/83/32/1382098332.db2.gz HPVASMDUVSOIEU-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585436 1382098449 /nfs/dbraw/zinc/09/84/49/1382098449.db2.gz IMOHQNMMJXKTDD-UHFFFAOYSA-N 0 0 349.346 3.360 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001292405844 1382190830 /nfs/dbraw/zinc/19/08/30/1382190830.db2.gz MXCBQUZWKQOUSI-VWYCJHECSA-N 0 0 342.827 3.410 10 5 EGBERN O=c1[nH]ccc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c1[N+](=O)[O-] ZINC001162015997 1382602550 /nfs/dbraw/zinc/60/25/50/1382602550.db2.gz YXAHPQFSAUBXLJ-UHFFFAOYSA-N 0 0 332.316 3.376 10 5 EGBERN CN(Cc1cnccn1)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001162576144 1382795437 /nfs/dbraw/zinc/79/54/37/1382795437.db2.gz LWFCBZACKJRJKC-UHFFFAOYSA-N 0 0 329.747 3.223 10 5 EGBERN Cc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC001295863625 1382848257 /nfs/dbraw/zinc/84/82/57/1382848257.db2.gz RNZUHXANRBQWJQ-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CC(Cc3ccccc3C(F)(F)F)C2)n1 ZINC001162724843 1382848463 /nfs/dbraw/zinc/84/84/63/1382848463.db2.gz JYNQYAXVTIXBMI-UHFFFAOYSA-N 0 0 340.305 3.026 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCCc2csc(-c3ccccc3)n2)n1 ZINC001162799785 1382875876 /nfs/dbraw/zinc/87/58/76/1382875876.db2.gz KVCJRWDAGBLSAP-UHFFFAOYSA-N 0 0 329.385 3.106 10 5 EGBERN O=C(C=CC=C(Cl)Cl)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987894 1382891844 /nfs/dbraw/zinc/89/18/44/1382891844.db2.gz FBHIKSRWCPWKTO-IWQZZHSRSA-N 0 0 327.127 3.285 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3c(c2)CCCC3=O)c(N)c([N+](=O)[O-])c1 ZINC001162989815 1382939993 /nfs/dbraw/zinc/93/99/93/1382939993.db2.gz MVELLCAYWXNFRS-UHFFFAOYSA-N 0 0 339.351 3.257 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC001163001113 1382943630 /nfs/dbraw/zinc/94/36/30/1382943630.db2.gz USMPUOYTQKTWBG-LSDHHAIUSA-N 0 0 336.388 3.385 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2c1cccc2F ZINC001163004797 1382944961 /nfs/dbraw/zinc/94/49/61/1382944961.db2.gz DQVRXDTYDUPVSP-UHFFFAOYSA-N 0 0 330.241 3.180 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@](F)(c3ccccc3)C2)c1 ZINC001163151394 1382978696 /nfs/dbraw/zinc/97/86/96/1382978696.db2.gz LBDDRRMTCTTWSI-GOSISDBHSA-N 0 0 344.342 3.457 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C2 ZINC001163383373 1383038003 /nfs/dbraw/zinc/03/80/03/1383038003.db2.gz YDNOYLGVBSNHPL-UHFFFAOYSA-N 0 0 348.305 3.346 10 5 EGBERN O=C(Nc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001163399677 1383042622 /nfs/dbraw/zinc/04/26/22/1383042622.db2.gz LUGMWORGABLXEV-UHFFFAOYSA-N 0 0 338.323 3.149 10 5 EGBERN COCC1CCC(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001163494538 1383064555 /nfs/dbraw/zinc/06/45/55/1383064555.db2.gz PCSKMDSLOQUHEI-UHFFFAOYSA-N 0 0 333.363 3.321 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC(C)(C)OCC2CC2)c([N+](=O)[O-])c1 ZINC001163511383 1383070048 /nfs/dbraw/zinc/07/00/48/1383070048.db2.gz BCYDKBZOJZPHKY-VQHVLOKHSA-N 0 0 348.399 3.398 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(C)nc(C)c1 ZINC001163532305 1383072723 /nfs/dbraw/zinc/07/27/23/1383072723.db2.gz YWBQOKDPNSJDSZ-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN COc1ccccc1CONC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001297138844 1383121605 /nfs/dbraw/zinc/12/16/05/1383121605.db2.gz VATCWJKSCRLJKN-UHFFFAOYSA-N 0 0 330.340 3.082 10 5 EGBERN CCCOc1ccnc(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001163808459 1383124246 /nfs/dbraw/zinc/12/42/46/1383124246.db2.gz RLHQMGLTJXSABG-UHFFFAOYSA-N 0 0 335.385 3.345 10 5 EGBERN CNc1cc(Cl)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001297274315 1383136097 /nfs/dbraw/zinc/13/60/97/1383136097.db2.gz UCWFZJTWJVRCAI-UHFFFAOYSA-N 0 0 333.775 3.262 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc3cc[nH]c3cn2)c1F ZINC001164019055 1383147246 /nfs/dbraw/zinc/14/72/46/1383147246.db2.gz LMLIBRNCAOTUBO-UHFFFAOYSA-N 0 0 332.266 3.310 10 5 EGBERN COC(=O)c1cccc2c1OCCN(c1cc(C)sc1[N+](=O)[O-])C2 ZINC001164264855 1383172644 /nfs/dbraw/zinc/17/26/44/1383172644.db2.gz JGASRMLZPXDEON-UHFFFAOYSA-N 0 0 348.380 3.150 10 5 EGBERN Cc1cc(OCc2cccc(S(C)(=O)=O)c2)c(F)cc1[N+](=O)[O-] ZINC001166030979 1383379413 /nfs/dbraw/zinc/37/94/13/1383379413.db2.gz ZCXSQOYXKWLGKU-UHFFFAOYSA-N 0 0 339.344 3.025 10 5 EGBERN Cc1cc(OCCc2ccc(C(N)=O)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001166154645 1383395720 /nfs/dbraw/zinc/39/57/20/1383395720.db2.gz BQZRHGWASHWHGR-UHFFFAOYSA-N 0 0 334.759 3.277 10 5 EGBERN O=C(COc1ccc(F)cc1)COc1ccc([N+](=O)[O-])c(F)c1F ZINC001166211804 1383402638 /nfs/dbraw/zinc/40/26/38/1383402638.db2.gz LKOUTGNNNMWOBI-UHFFFAOYSA-N 0 0 341.241 3.039 10 5 EGBERN COc1ccc(Cn2c(=O)sc3c2cccc3F)cc1[N+](=O)[O-] ZINC001166233829 1383405313 /nfs/dbraw/zinc/40/53/13/1383405313.db2.gz BEAKBUUXGUFPKY-UHFFFAOYSA-N 0 0 334.328 3.167 10 5 EGBERN Cc1c(Br)ccc(OC[C@@H]2COC(C)(C)O2)c1[N+](=O)[O-] ZINC001166892193 1383495842 /nfs/dbraw/zinc/49/58/42/1383495842.db2.gz YKADUONZKLRKIY-SECBINFHSA-N 0 0 346.177 3.196 10 5 EGBERN CC(=O)c1ccc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC001166939173 1383502540 /nfs/dbraw/zinc/50/25/40/1383502540.db2.gz PMLAEUOCDDMPGX-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN CC(C)(C)c1nnc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC001166956430 1383504217 /nfs/dbraw/zinc/50/42/17/1383504217.db2.gz LUJPTSOCUPYRGB-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC001299859249 1383632507 /nfs/dbraw/zinc/63/25/07/1383632507.db2.gz VQIDEYUXRVOFQK-SNVBAGLBSA-N 0 0 343.339 3.107 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001300589212 1383672234 /nfs/dbraw/zinc/67/22/34/1383672234.db2.gz FWZMZVNDUVPXCC-UTCJRWHESA-N 0 0 343.270 3.233 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001300923995 1383685942 /nfs/dbraw/zinc/68/59/42/1383685942.db2.gz ZXGWOIPGRXCIQH-UHFFFAOYSA-N 0 0 334.416 3.288 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C ZINC001304210505 1383840423 /nfs/dbraw/zinc/84/04/23/1383840423.db2.gz BZFUDEWEIKJWIA-GFCCVEGCSA-N 0 0 343.383 3.293 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(NC2CCCC2)c1 ZINC001168394017 1383893635 /nfs/dbraw/zinc/89/36/35/1383893635.db2.gz OPQLHCWAWOHNFI-UHFFFAOYSA-N 0 0 343.387 3.093 10 5 EGBERN Cc1nn(C)c(C)c1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001306908035 1383919148 /nfs/dbraw/zinc/91/91/48/1383919148.db2.gz AVQSAQCAVDGBFG-UHFFFAOYSA-N 0 0 332.751 3.285 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC001306984886 1383930039 /nfs/dbraw/zinc/93/00/39/1383930039.db2.gz UCFPWQSGZNTUKD-PHIMTYICSA-N 0 0 333.413 3.482 10 5 EGBERN CC1(C)CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCS1 ZINC001306990098 1383930411 /nfs/dbraw/zinc/93/04/11/1383930411.db2.gz NREKQEODKIDMGX-UHFFFAOYSA-N 0 0 348.384 3.383 10 5 EGBERN COCc1nc(Sc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC001306998188 1383931787 /nfs/dbraw/zinc/93/17/87/1383931787.db2.gz KSEQUBVUAAMHJZ-UHFFFAOYSA-N 0 0 335.172 3.317 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCCSC ZINC001307020152 1383933699 /nfs/dbraw/zinc/93/36/99/1383933699.db2.gz WPTYETNXHOIQKO-UHFFFAOYSA-N 0 0 349.460 3.453 10 5 EGBERN CC(C)C(=O)NCCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307070563 1383935805 /nfs/dbraw/zinc/93/58/05/1383935805.db2.gz KZVJMQFGKOPUAZ-UHFFFAOYSA-N 0 0 333.310 3.188 10 5 EGBERN Cc1nc(NCc2c(F)cccc2OC(F)F)ncc1[N+](=O)[O-] ZINC001307111978 1383941836 /nfs/dbraw/zinc/94/18/36/1383941836.db2.gz CHABLHCQTSUHAQ-UHFFFAOYSA-N 0 0 328.250 3.046 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307137408 1383943814 /nfs/dbraw/zinc/94/38/14/1383943814.db2.gz AZNILXLMBDXVEE-SFYZADRCSA-N 0 0 333.132 3.449 10 5 EGBERN C[C@@H]1C[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[C@@H](C)O1 ZINC001307144193 1383944975 /nfs/dbraw/zinc/94/49/75/1383944975.db2.gz RNPQBWGGECNUOG-GMTAPVOTSA-N 0 0 335.791 3.444 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cn1 ZINC001307155688 1383946646 /nfs/dbraw/zinc/94/66/46/1383946646.db2.gz QYCOBIJAMDISDF-BRWVUGGUSA-N 0 0 325.368 3.489 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001307181015 1383951524 /nfs/dbraw/zinc/95/15/24/1383951524.db2.gz MPXUGVDCPCDCRA-XHDPSFHLSA-N 0 0 333.775 3.198 10 5 EGBERN CCOC(=O)C(CC)(CC)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001307180873 1383951957 /nfs/dbraw/zinc/95/19/57/1383951957.db2.gz GOBFOIIGTBLGNS-UHFFFAOYSA-N 0 0 329.784 3.425 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001307205089 1383955719 /nfs/dbraw/zinc/95/57/19/1383955719.db2.gz DTPKXBOFCMAMME-WCBMZHEXSA-N 0 0 332.278 3.300 10 5 EGBERN Cc1nc2ccccn2c1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001307227925 1383961132 /nfs/dbraw/zinc/96/11/32/1383961132.db2.gz AHEYCFYLSURXAE-UHFFFAOYSA-N 0 0 327.300 3.071 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001307226810 1383961252 /nfs/dbraw/zinc/96/12/52/1383961252.db2.gz FPZOOTXWNNTHTG-GJZGRUSLSA-N 0 0 349.431 3.420 10 5 EGBERN COC(=O)[C@@H]1CCCC[C@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001307324913 1383971650 /nfs/dbraw/zinc/97/16/50/1383971650.db2.gz OVSFHMCXKIPMOK-WMLDXEAASA-N 0 0 343.383 3.438 10 5 EGBERN CC(=O)Nc1ccc(OCc2csc([N+](=O)[O-])c2)c(F)c1F ZINC001307343502 1383974175 /nfs/dbraw/zinc/97/41/75/1383974175.db2.gz HZGVATGFYPGLMD-UHFFFAOYSA-N 0 0 328.296 3.472 10 5 EGBERN COc1ccc(OCCCOc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC001307363381 1383977944 /nfs/dbraw/zinc/97/79/44/1383977944.db2.gz MALRODYZZZCSDO-UHFFFAOYSA-N 0 0 333.340 3.460 10 5 EGBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc([N+](=O)[O-])cc1F ZINC001307790974 1384032354 /nfs/dbraw/zinc/03/23/54/1384032354.db2.gz CZLSCSRZYKNDHR-TZDAIYRESA-N 0 0 336.363 3.040 10 5 EGBERN COC(=O)c1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC001308150326 1384101404 /nfs/dbraw/zinc/10/14/04/1384101404.db2.gz JVZRBHDPBHYNQD-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313683 1384339090 /nfs/dbraw/zinc/33/90/90/1384339090.db2.gz VRIXKYLZGSPLRZ-UAGQMJEPSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001312379296 1384344106 /nfs/dbraw/zinc/34/41/06/1384344106.db2.gz GOUMHSWBCDIQND-KWCYVHTRSA-N 0 0 337.807 3.279 10 5 EGBERN CC[C@H]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001312714682 1384366726 /nfs/dbraw/zinc/36/67/26/1384366726.db2.gz PFJUBJXBJIIXSA-KBPBESRZSA-N 0 0 347.415 3.194 10 5 EGBERN CC1(C)CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001313381379 1384414984 /nfs/dbraw/zinc/41/49/84/1384414984.db2.gz DCVKULXVLLFSQF-INIZCTEOSA-N 0 0 347.415 3.010 10 5 EGBERN O=C(Nc1nc(C2CCCCC2)cs1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001171509046 1384546022 /nfs/dbraw/zinc/54/60/22/1384546022.db2.gz UYZMYEYQCKGIKI-UHFFFAOYSA-N 0 0 348.384 3.452 10 5 EGBERN O=C(NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC001317544300 1385288641 /nfs/dbraw/zinc/28/86/41/1385288641.db2.gz DKNPTTNZMLTZCQ-UHFFFAOYSA-N 0 0 345.424 3.051 10 5 EGBERN O=C(Nc1cc(-n2cccc2)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC001319158286 1385985170 /nfs/dbraw/zinc/98/51/70/1385985170.db2.gz UUDBTHQFBARXPY-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC001180298451 1386758892 /nfs/dbraw/zinc/75/88/92/1386758892.db2.gz SZFHFAZOALUKDH-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2c(o1)CCCC2 ZINC001180590168 1386843851 /nfs/dbraw/zinc/84/38/51/1386843851.db2.gz VPSQNXMKNMXBLJ-UHFFFAOYSA-N 0 0 340.339 3.124 10 5 EGBERN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3F)o2)c(OC)c1 ZINC001322266887 1387128935 /nfs/dbraw/zinc/12/89/35/1387128935.db2.gz GDCGMOJBLIEBGS-UHFFFAOYSA-N 0 0 345.286 3.468 10 5 EGBERN CC(C)(CCc1nnc(-c2ccccc2Br)o1)[N+](=O)[O-] ZINC001329278386 1389046166 /nfs/dbraw/zinc/04/61/66/1389046166.db2.gz WLBNAEWIUYUSAO-UHFFFAOYSA-N 0 0 340.177 3.487 10 5 EGBERN O=[N+]([O-])c1cc(OCCOCCOc2ccccc2)c(F)cc1F ZINC001330284425 1389377935 /nfs/dbraw/zinc/37/79/35/1389377935.db2.gz RUEUJWVZTHXLJC-UHFFFAOYSA-N 0 0 339.294 3.347 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])cs1 ZINC001330885725 1389554538 /nfs/dbraw/zinc/55/45/38/1389554538.db2.gz JRWLRAPOXFKRRT-NSHDSACASA-N 0 0 343.449 3.035 10 5 EGBERN CC(C)C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318565 1389633821 /nfs/dbraw/zinc/63/38/21/1389633821.db2.gz IDSGQFNBTNUIGW-CYBMUJFWSA-N 0 0 345.237 3.196 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001334605228 1390561778 /nfs/dbraw/zinc/56/17/78/1390561778.db2.gz CNERUVBXOKROAY-DLBZAZTESA-N 0 0 346.358 3.222 10 5 EGBERN C[C@H]1CCc2nc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cn2C1 ZINC001334859573 1390606539 /nfs/dbraw/zinc/60/65/39/1390606539.db2.gz XYROMMQZRSGVLC-LBPRGKRZSA-N 0 0 342.399 3.039 10 5 EGBERN CCO[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001335519523 1390697401 /nfs/dbraw/zinc/69/74/01/1390697401.db2.gz FHCGWQQMZNEPFA-KRWDZBQOSA-N 0 0 332.400 3.075 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC001344485218 1390794488 /nfs/dbraw/zinc/79/44/88/1390794488.db2.gz OGMSCBNDXQJMCC-SCZZXKLOSA-N 0 0 347.293 3.408 10 5 EGBERN C[C@@H](NC(=O)Nc1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC001344485587 1390794560 /nfs/dbraw/zinc/79/45/60/1390794560.db2.gz HRLSCUHXHCCXFC-SNVBAGLBSA-N 0 0 329.360 3.088 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2CCOC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001344774708 1390813946 /nfs/dbraw/zinc/81/39/46/1390813946.db2.gz YCRADSJEXKNXDP-VIFPVBQESA-N 0 0 347.293 3.080 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@]12CCC[C@@H]1OCC2 ZINC001344838559 1390818400 /nfs/dbraw/zinc/81/84/00/1390818400.db2.gz JNPCGGWBTANKFX-RDJZCZTQSA-N 0 0 337.347 3.169 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001345487813 1390862060 /nfs/dbraw/zinc/86/20/60/1390862060.db2.gz BNWHXEYCXBWBCS-CZUORRHYSA-N 0 0 333.388 3.230 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCOC2(CCC2)C1 ZINC001345609512 1390868415 /nfs/dbraw/zinc/86/84/15/1390868415.db2.gz FCBCNRDFZKAADZ-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@]1(C)CCCOC1 ZINC001345696862 1390877534 /nfs/dbraw/zinc/87/75/34/1390877534.db2.gz SJQCMMNGOPDDSJ-OAHLLOKOSA-N 0 0 325.386 3.290 10 5 EGBERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC001345954235 1390897168 /nfs/dbraw/zinc/89/71/68/1390897168.db2.gz ROMPURXUORZWCA-MEBBXXQBSA-N 0 0 343.330 3.180 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1csc(N(C)c2ccccc2)n1 ZINC001347430944 1391074857 /nfs/dbraw/zinc/07/48/57/1391074857.db2.gz SFVSNMONQMZOSI-GFCCVEGCSA-N 0 0 335.385 3.123 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCOCC12CCCC2 ZINC001347747995 1391118925 /nfs/dbraw/zinc/11/89/25/1391118925.db2.gz CGYAIEDPDWRALC-CQSZACIVSA-N 0 0 337.351 3.205 10 5 EGBERN COCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC001348064465 1391167870 /nfs/dbraw/zinc/16/78/70/1391167870.db2.gz GXONEQUSSQNQMY-ZDUSSCGKSA-N 0 0 349.774 3.151 10 5 EGBERN Cn1cc(-c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cn1 ZINC001348439572 1391219747 /nfs/dbraw/zinc/21/97/47/1391219747.db2.gz VWDRQMVEKMVAGI-UHFFFAOYSA-N 0 0 346.730 3.494 10 5 EGBERN C[C@@H](CNC(=O)N1CCC[C@H]1C(F)F)c1ccccc1[N+](=O)[O-] ZINC001348690211 1391253133 /nfs/dbraw/zinc/25/31/33/1391253133.db2.gz VSYSBOHQSHRFPT-GWCFXTLKSA-N 0 0 327.331 3.137 10 5 EGBERN COCC1CC(OC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001349608221 1391344748 /nfs/dbraw/zinc/34/47/48/1391344748.db2.gz NNCDPFMIDIOPLC-UHFFFAOYSA-N 0 0 327.764 3.149 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001350088223 1391409574 /nfs/dbraw/zinc/40/95/74/1391409574.db2.gz QNSJHEXGUVCVGC-UHFFFAOYSA-N 0 0 348.330 3.418 10 5 EGBERN O=C(Cc1c[nH]c2cnccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001350396799 1391458379 /nfs/dbraw/zinc/45/83/79/1391458379.db2.gz LYZPKNNWSBXIEC-UHFFFAOYSA-N 0 0 330.731 3.306 10 5 EGBERN Cc1c(NC(=O)c2csc(-c3ncc[nH]3)n2)cccc1[N+](=O)[O-] ZINC001350397263 1391458414 /nfs/dbraw/zinc/45/84/14/1391458414.db2.gz QBEYXJOOBVTOIS-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2cnn3c2CCCC3)cc1[N+](=O)[O-] ZINC001350718048 1391513948 /nfs/dbraw/zinc/51/39/48/1391513948.db2.gz WILHCFMERFAEHV-UHFFFAOYSA-N 0 0 348.790 3.019 10 5 EGBERN O=C(NC1([C@H]2CCCO2)CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001351073213 1391591646 /nfs/dbraw/zinc/59/16/46/1391591646.db2.gz ZXZLEPJPCGEWGE-OAHLLOKOSA-N 0 0 330.340 3.173 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC001351364821 1391632379 /nfs/dbraw/zinc/63/23/79/1391632379.db2.gz QSFATPVVDMYJEX-TVQRCGJNSA-N 0 0 334.763 3.171 10 5 EGBERN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1c(F)cccc1[N+](=O)[O-] ZINC001351539300 1391650275 /nfs/dbraw/zinc/65/02/75/1391650275.db2.gz ZSNDXUWRCDWYAM-UHFFFAOYSA-N 0 0 347.327 3.030 10 5 EGBERN O=C(c1cc(Br)co1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001351697068 1391673649 /nfs/dbraw/zinc/67/36/49/1391673649.db2.gz VNLWFGSFIIOZMS-UHFFFAOYSA-N 0 0 337.129 3.153 10 5 EGBERN COc1cc(C(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001352030615 1391747811 /nfs/dbraw/zinc/74/78/11/1391747811.db2.gz SVQRYCOYKIPLAT-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN C[C@@H](OC(=O)CCc1nnc(C(F)F)o1)c1cccc([N+](=O)[O-])c1 ZINC001353255220 1391975572 /nfs/dbraw/zinc/97/55/72/1391975572.db2.gz PTMZTKIGYKFFMJ-MRVPVSSYSA-N 0 0 341.270 3.152 10 5 EGBERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001353429501 1392009556 /nfs/dbraw/zinc/00/95/56/1392009556.db2.gz ZMGUKYMRSNMQND-UHFFFAOYSA-N 0 0 343.314 3.335 10 5 EGBERN Cc1cc(Cc2noc(C[C@H]3CC(C)(C)CO3)n2)ccc1[N+](=O)[O-] ZINC001353617101 1392052495 /nfs/dbraw/zinc/05/24/95/1392052495.db2.gz NJLXPPAYPVZETL-ZDUSSCGKSA-N 0 0 331.372 3.235 10 5 EGBERN O=C(Nc1ccc(N2CCCC2=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001353697600 1392071464 /nfs/dbraw/zinc/07/14/64/1392071464.db2.gz SKRHXCUOAWNFCM-UHFFFAOYSA-N 0 0 343.314 3.113 10 5 EGBERN COC(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC001353791488 1392089949 /nfs/dbraw/zinc/08/99/49/1392089949.db2.gz AHAIGIFYWLKRRM-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)n1 ZINC001353814614 1392095887 /nfs/dbraw/zinc/09/58/87/1392095887.db2.gz XHINLYHRXHHTKP-ZDUSSCGKSA-N 0 0 340.383 3.173 10 5 EGBERN O=C(c1cnc2c(F)cccc2c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353901405 1392106945 /nfs/dbraw/zinc/10/69/45/1392106945.db2.gz SEVWBCDJSJYKHV-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN COc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2n1 ZINC001354563836 1392152800 /nfs/dbraw/zinc/15/28/00/1392152800.db2.gz KWSNICDDKKWSER-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H]1C ZINC001354775162 1392168348 /nfs/dbraw/zinc/16/83/48/1392168348.db2.gz GTTCHZMYMQPZQP-NFAWXSAZSA-N 0 0 342.399 3.335 10 5 EGBERN COc1ccc(NC(=O)c2ncc3cc(Cl)ccn32)c([N+](=O)[O-])c1 ZINC001355055340 1392189818 /nfs/dbraw/zinc/18/98/18/1392189818.db2.gz GBXRTHHBHFPKAI-UHFFFAOYSA-N 0 0 346.730 3.157 10 5 EGBERN CCC1(C(=O)NCCCN(C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001479790437 1392391686 /nfs/dbraw/zinc/39/16/86/1392391686.db2.gz LAOWFDTUYDZNNL-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN C/C=C(\C)C(=O)NC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001483964436 1395165471 /nfs/dbraw/zinc/16/54/71/1395165471.db2.gz VZWKJUHLTCXRTO-UUILKARUSA-N 0 0 337.445 3.093 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C(C)(C)C)co1 ZINC001687818916 1396501921 /nfs/dbraw/zinc/50/19/21/1396501921.db2.gz VQGKTBYADDZUBL-UHFFFAOYSA-N 0 0 346.387 3.222 10 5 EGBERN Cc1ccc(N(C)CCNC(=O)C(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001690127892 1404322395 /nfs/dbraw/zinc/32/23/95/1404322395.db2.gz ZDLBSKFOULANPG-UHFFFAOYSA-N 0 0 347.337 3.044 10 5 EGBERN O=C(CC1CCCCC1)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001732120732 1428372227 /nfs/dbraw/zinc/37/22/27/1428372227.db2.gz VSWSIBRMOMNBGU-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)CC)OC ZINC001708779454 1417409043 /nfs/dbraw/zinc/40/90/43/1417409043.db2.gz WMYLUYSYGUWZQB-HNNXBMFYSA-N 0 0 347.419 3.125 10 5 EGBERN CCN(CCNC(=O)[C@H]1CC[C@H](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714598140 1419352659 /nfs/dbraw/zinc/35/26/59/1419352659.db2.gz YGDGAIKSMHLHCJ-WKILWMFISA-N 0 0 347.459 3.359 10 5 EGBERN CCC1(C(=O)N(C)CCCN(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001724854907 1425224197 /nfs/dbraw/zinc/22/41/97/1425224197.db2.gz DSFVWYZIRQSEEQ-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001725727606 1426392746 /nfs/dbraw/zinc/39/27/46/1426392746.db2.gz HUUOASXWYQXYTC-UHFFFAOYSA-N 0 0 345.443 3.374 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC1CC1 ZINC001727508174 1427107104 /nfs/dbraw/zinc/10/71/04/1427107104.db2.gz CTBDNWXBENKCSE-UHFFFAOYSA-N 0 0 329.404 3.185 10 5 EGBERN CSCCCCn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001731116744 1427189304 /nfs/dbraw/zinc/18/93/04/1427189304.db2.gz ROFTYYWXKISGJO-UHFFFAOYSA-N 0 0 349.460 3.274 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccsc1 ZINC001745901520 1439829273 /nfs/dbraw/zinc/82/92/73/1439829273.db2.gz JHGVIRUXEGQVIQ-UHFFFAOYSA-N 0 0 343.412 3.419 10 5 EGBERN CCCCn1c(CC)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001765791173 1441398635 /nfs/dbraw/zinc/39/86/35/1441398635.db2.gz SNIHTRDXNCUMHR-UHFFFAOYSA-N 0 0 331.420 3.228 10 5 EGBERN CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC001768765395 1441408549 /nfs/dbraw/zinc/40/85/49/1441408549.db2.gz IZWKDDZBPZGBMB-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000173557120 230970271 /nfs/dbraw/zinc/97/02/71/230970271.db2.gz VRVAXPZJGUCDHJ-FZMZJTMJSA-N 0 0 346.387 3.001 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000056022236 214353470 /nfs/dbraw/zinc/35/34/70/214353470.db2.gz ULYYKSJIOQQAKV-VIFPVBQESA-N 0 0 334.401 3.201 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000173611488 282167523 /nfs/dbraw/zinc/16/75/23/282167523.db2.gz ZXLJEGCVPDFJCD-SECBINFHSA-N 0 0 347.758 3.379 10 5 EGBERN CN(CC1CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131260339 529861044 /nfs/dbraw/zinc/86/10/44/529861044.db2.gz ZAKCNGQSDPBDPI-UHFFFAOYSA-N 0 0 347.596 3.493 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1cn(C)nc1C(F)(F)F ZINC000155332796 530019364 /nfs/dbraw/zinc/01/93/64/530019364.db2.gz QAATVEUHHJXNPX-UHFFFAOYSA-N 0 0 334.323 3.041 10 5 EGBERN O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)ncnc1-n1ccnc1 ZINC000040660264 213365740 /nfs/dbraw/zinc/36/57/40/213365740.db2.gz ULRPCQJQGCSBOM-UHFFFAOYSA-N 0 0 334.698 3.107 10 5 EGBERN CN(C)N=c1nc[nH]c(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040628682 213361164 /nfs/dbraw/zinc/36/11/64/213361164.db2.gz ITWXVKVGWAYAII-UHFFFAOYSA-N 0 0 343.174 3.324 10 5 EGBERN COCCNc1ncnc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000040588502 213355707 /nfs/dbraw/zinc/35/57/07/213355707.db2.gz GWRUHHYPPLLJGG-UHFFFAOYSA-N 0 0 337.767 3.149 10 5 EGBERN O=C(Nc1ccncc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000040476567 213312714 /nfs/dbraw/zinc/31/27/14/213312714.db2.gz PLNNRIQDSHZNQH-UHFFFAOYSA-N 0 0 332.747 3.470 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000127635879 222866371 /nfs/dbraw/zinc/86/63/71/222866371.db2.gz UVVILZUQNYRUNE-UHFFFAOYSA-N 0 0 349.700 3.032 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374718258 168779346 /nfs/dbraw/zinc/77/93/46/168779346.db2.gz SOUZPAGSWKLHFY-HNNXBMFYSA-N 0 0 340.383 3.395 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccnc3nc(Cc4ccccc4)nn32)cc1 ZINC000072451383 216239460 /nfs/dbraw/zinc/23/94/60/216239460.db2.gz PMAXKULCVZHWMM-UHFFFAOYSA-N 0 0 331.335 3.290 10 5 EGBERN Cc1c(C(=O)N2C[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000072545415 216270810 /nfs/dbraw/zinc/27/08/10/216270810.db2.gz RBBQBFZRXRHRRT-ZJUUUORDSA-N 0 0 335.360 3.380 10 5 EGBERN CCOC(=O)c1ccoc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000026117525 212506813 /nfs/dbraw/zinc/50/68/13/212506813.db2.gz IGXFHYRRZZYDPX-UHFFFAOYSA-N 0 0 333.296 3.030 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cscn1 ZINC000341734165 284273847 /nfs/dbraw/zinc/27/38/47/284273847.db2.gz KFFCRPICZXCKNG-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCCc1ccsc1 ZINC000049184182 213993259 /nfs/dbraw/zinc/99/32/59/213993259.db2.gz CRVAUFHSRRNIPQ-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000081096041 217360612 /nfs/dbraw/zinc/36/06/12/217360612.db2.gz HNNUVJXNFGHMJP-ZDUSSCGKSA-N 0 0 344.367 3.109 10 5 EGBERN CC(=O)[C@@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000111692560 220182191 /nfs/dbraw/zinc/18/21/91/220182191.db2.gz LTFAGYDTTKEXBH-NSHDSACASA-N 0 0 327.178 3.305 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000373118692 296219360 /nfs/dbraw/zinc/21/93/60/296219360.db2.gz UVVKUKAHOVHFMK-UHFFFAOYSA-N 0 0 329.400 3.354 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265002996 247127757 /nfs/dbraw/zinc/12/77/57/247127757.db2.gz VRLUYKHTWJQHJV-SNVBAGLBSA-N 0 0 339.355 3.496 10 5 EGBERN CC(C)c1csc([C@H]2CCCN(c3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000266107406 248102068 /nfs/dbraw/zinc/10/20/68/248102068.db2.gz LYTBPMGHSIDLKD-NSHDSACASA-N 0 0 335.433 3.292 10 5 EGBERN Cc1csc([C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000092789827 218167236 /nfs/dbraw/zinc/16/72/36/218167236.db2.gz TZTCOQZXFUPUOZ-MQDFFIGUSA-N 0 0 345.424 3.446 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000009155643 211045286 /nfs/dbraw/zinc/04/52/86/211045286.db2.gz QRPBPCVBCDPUBY-UHFFFAOYSA-N 0 0 348.714 3.327 10 5 EGBERN CCN(Cc1cccs1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095433728 218377091 /nfs/dbraw/zinc/37/70/91/218377091.db2.gz AEEYAMLNYFULHI-UHFFFAOYSA-N 0 0 340.426 3.008 10 5 EGBERN Cc1nc(-c2cccc(C)c2)n(C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095974836 218479549 /nfs/dbraw/zinc/47/95/49/218479549.db2.gz YNRZGCCEHLNUQK-KRWDZBQOSA-N 0 0 338.367 3.204 10 5 EGBERN CC[C@@H](NC(=O)CCCC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000267321208 250942949 /nfs/dbraw/zinc/94/29/49/250942949.db2.gz VWWBNAUPVAELJI-MRXNPFEDSA-N 0 0 349.431 3.201 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000267378350 250999639 /nfs/dbraw/zinc/99/96/39/250999639.db2.gz LATSUSAOWRDUML-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN COc1cc(NC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000268143978 251655500 /nfs/dbraw/zinc/65/55/00/251655500.db2.gz CVATUDDPKNXGRX-CQSZACIVSA-N 0 0 326.349 3.124 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)n1 ZINC000097080913 218941048 /nfs/dbraw/zinc/94/10/48/218941048.db2.gz RQPMJJJXHNVWDQ-LLVKDONJSA-N 0 0 347.400 3.166 10 5 EGBERN O=c1c2cccnc2n2c3ccccc3nc2n1Cc1ccccc1 ZINC000007986554 285213979 /nfs/dbraw/zinc/21/39/79/285213979.db2.gz GAUALSICRGELPR-UHFFFAOYSA-N 0 0 326.359 3.246 10 5 EGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)o1 ZINC000269263846 255555563 /nfs/dbraw/zinc/55/55/63/255555563.db2.gz BZFGJCXHNUVISD-UHFFFAOYSA-N 0 0 343.383 3.369 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000163859460 533254751 /nfs/dbraw/zinc/25/47/51/533254751.db2.gz MHBHEKMEMHEZHE-UHFFFAOYSA-N 0 0 326.352 3.044 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000363834682 533405782 /nfs/dbraw/zinc/40/57/82/533405782.db2.gz RLMDAPOVFKUZMN-OFHUKCQUSA-N 0 0 330.384 3.072 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000188480141 291996404 /nfs/dbraw/zinc/99/64/04/291996404.db2.gz PXXYMEVBEZNIJD-ZDUSSCGKSA-N 0 0 329.404 3.195 10 5 EGBERN O=C1Nc2ccccc2[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 ZINC000008718050 135684442 /nfs/dbraw/zinc/68/44/42/135684442.db2.gz MAAPOBWPTYWEIF-UYAOXDASSA-N 0 0 349.390 3.400 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000157888415 296500351 /nfs/dbraw/zinc/50/03/51/296500351.db2.gz HCMMCEYMEGVENX-QGZVFWFLSA-N 0 0 345.786 3.322 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000030322229 140797716 /nfs/dbraw/zinc/79/77/16/140797716.db2.gz QJJUBYPKVLDWQD-JTQLQIEISA-N 0 0 326.399 3.004 10 5 EGBERN COCc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377162 140873282 /nfs/dbraw/zinc/87/32/82/140873282.db2.gz VSTFUNFJTHJROC-GFCCVEGCSA-N 0 0 326.352 3.333 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000246733217 141028867 /nfs/dbraw/zinc/02/88/67/141028867.db2.gz NZHVKIMYAIUIKH-ZLKJLUDKSA-N 0 0 336.413 3.042 10 5 EGBERN Cc1cccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338037774 141078255 /nfs/dbraw/zinc/07/82/55/141078255.db2.gz BDUGTBBNMSNNRN-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN O=[N+]([O-])c1ccc(CNCc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000341266639 141147449 /nfs/dbraw/zinc/14/74/49/141147449.db2.gz IOCRWMGBMKPQLG-UHFFFAOYSA-N 0 0 340.358 3.269 10 5 EGBERN Nc1c(C(=O)N[C@@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000372702863 141561448 /nfs/dbraw/zinc/56/14/48/141561448.db2.gz RETVQEUEAUAFRT-QGZVFWFLSA-N 0 0 337.335 3.289 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000162510643 142596209 /nfs/dbraw/zinc/59/62/09/142596209.db2.gz VWSBLHKPPUEPHK-HZPDHXFCSA-N 0 0 343.387 3.405 10 5 EGBERN Cc1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)n1 ZINC000171221680 144002200 /nfs/dbraw/zinc/00/22/00/144002200.db2.gz LJEIZRPGOCGVAO-UHFFFAOYSA-N 0 0 346.412 3.083 10 5 EGBERN Cc1c(C(=O)N2CCC(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000171616738 144007572 /nfs/dbraw/zinc/00/75/72/144007572.db2.gz JXYZIEWWOIGECU-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173416704 144041665 /nfs/dbraw/zinc/04/16/65/144041665.db2.gz KOQFOUVYXPRAFV-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000173442030 144041847 /nfs/dbraw/zinc/04/18/47/144041847.db2.gz UWAVOCCKJJFKEU-VIFPVBQESA-N 0 0 336.373 3.140 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCN(c2ccccn2)CC1 ZINC000183840200 144080657 /nfs/dbraw/zinc/08/06/57/144080657.db2.gz ACEHCINLWFETKC-UHFFFAOYSA-N 0 0 346.818 3.356 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccn1 ZINC000184887164 144100297 /nfs/dbraw/zinc/10/02/97/144100297.db2.gz SPYXKGKCTPEZGC-INIZCTEOSA-N 0 0 341.411 3.308 10 5 EGBERN COCCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCCCC1 ZINC000185364955 144111687 /nfs/dbraw/zinc/11/16/87/144111687.db2.gz RIMGVNHZXKAFRZ-UHFFFAOYSA-N 0 0 335.404 3.015 10 5 EGBERN Nc1c(C(=O)NCc2ccc(-c3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000370156612 144478383 /nfs/dbraw/zinc/47/83/83/144478383.db2.gz RGAWAOUZGKAZNV-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN Cc1c(Nc2ccncc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000341122732 155174220 /nfs/dbraw/zinc/17/42/20/155174220.db2.gz PGNCKQQBPMBKMT-UHFFFAOYSA-N 0 0 329.747 3.303 10 5 EGBERN C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341279865 155226864 /nfs/dbraw/zinc/22/68/64/155226864.db2.gz HNYQQGLKQTYIPK-GFCCVEGCSA-N 0 0 332.331 3.380 10 5 EGBERN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000115228729 152000424 /nfs/dbraw/zinc/00/04/24/152000424.db2.gz GIBMWQPMVFIOQB-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN COCc1csc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000115241845 152001619 /nfs/dbraw/zinc/00/16/19/152001619.db2.gz FGCVPMFUNXRTOI-UHFFFAOYSA-N 0 0 339.398 3.172 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569626 152020624 /nfs/dbraw/zinc/02/06/24/152020624.db2.gz JYZBUNAKHCQXDN-HNNXBMFYSA-N 0 0 345.424 3.284 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116041221 152039774 /nfs/dbraw/zinc/03/97/74/152039774.db2.gz FAXUBTWJNXODSG-GFCCVEGCSA-N 0 0 345.311 3.382 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275824 152055129 /nfs/dbraw/zinc/05/51/29/152055129.db2.gz QTNAGMLFIWWNPF-CQSZACIVSA-N 0 0 339.823 3.129 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116423778 152060685 /nfs/dbraw/zinc/06/06/85/152060685.db2.gz DUPCJBYLIWMGKQ-OAHLLOKOSA-N 0 0 329.356 3.277 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccccc3[N+](=O)[O-])cc21 ZINC000116729303 152075559 /nfs/dbraw/zinc/07/55/59/152075559.db2.gz MIOWGGOEKKBGJD-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN O=C(NCc1ccccc1OC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000118266750 152133312 /nfs/dbraw/zinc/13/33/12/152133312.db2.gz YPEUBESREKIWAQ-UHFFFAOYSA-N 0 0 326.352 3.456 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118836518 152155788 /nfs/dbraw/zinc/15/57/88/152155788.db2.gz NNFXLVYUJKPBCH-CVEARBPZSA-N 0 0 340.427 3.430 10 5 EGBERN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000119664323 152221885 /nfs/dbraw/zinc/22/18/85/152221885.db2.gz CLHVVOHXFIMUFR-JTQLQIEISA-N 0 0 333.775 3.198 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000119807341 152229853 /nfs/dbraw/zinc/22/98/53/152229853.db2.gz SHRXXZXHEIPYJU-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN COCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125073140 152465810 /nfs/dbraw/zinc/46/58/10/152465810.db2.gz FLKLDKVVJYDKMG-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172688630 152809258 /nfs/dbraw/zinc/80/92/58/152809258.db2.gz SIVLXJQTPNVIOU-CABCVRRESA-N 0 0 340.335 3.108 10 5 EGBERN CC[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000186033843 152998672 /nfs/dbraw/zinc/99/86/72/152998672.db2.gz PJXITLUFFZLYOY-HNNXBMFYSA-N 0 0 341.367 3.042 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189583335 153080453 /nfs/dbraw/zinc/08/04/53/153080453.db2.gz WVTYVGAMOGDXGU-MRXNPFEDSA-N 0 0 326.352 3.086 10 5 EGBERN Cc1cc(N(C)Cc2cnccn2)c(Br)cc1[N+](=O)[O-] ZINC000191561601 153207508 /nfs/dbraw/zinc/20/75/08/153207508.db2.gz JRLMYFQVBVDTDY-UHFFFAOYSA-N 0 0 337.177 3.092 10 5 EGBERN CC(C)(C)c1nc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1 ZINC000193311821 153286673 /nfs/dbraw/zinc/28/66/73/153286673.db2.gz UUIBXOIMPWEWNB-UHFFFAOYSA-N 0 0 344.396 3.107 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCc2cccnc21 ZINC000193934201 153313980 /nfs/dbraw/zinc/31/39/80/153313980.db2.gz NMWNCYLMGGDIQE-JTQLQIEISA-N 0 0 333.294 3.327 10 5 EGBERN CNc1c(C(=O)N[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000326386469 154183944 /nfs/dbraw/zinc/18/39/44/154183944.db2.gz ZYOJUTIKVMKPTK-OAHLLOKOSA-N 0 0 325.368 3.444 10 5 EGBERN Cc1csc(NC(=O)CSc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000336916268 154238491 /nfs/dbraw/zinc/23/84/91/154238491.db2.gz BYMJFZQFIGYYJR-UHFFFAOYSA-N 0 0 344.805 3.139 10 5 EGBERN COc1ccc2c(c1)c(=O)ncn2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353041467 286430672 /nfs/dbraw/zinc/43/06/72/286430672.db2.gz UGTAXLRDQJRBAO-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN COc1ccc(OCCN2CCCC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000337413232 154340317 /nfs/dbraw/zinc/34/03/17/154340317.db2.gz QBUPPSGWHAXRTE-GFCCVEGCSA-N 0 0 330.331 3.102 10 5 EGBERN CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338206920 154630336 /nfs/dbraw/zinc/63/03/36/154630336.db2.gz PBIMUVIBEUHEDS-UHFFFAOYSA-N 0 0 341.367 3.295 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000338441669 154693345 /nfs/dbraw/zinc/69/33/45/154693345.db2.gz GOITXIRKRUSJOH-JTQLQIEISA-N 0 0 347.343 3.212 10 5 EGBERN CCCSCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341727348 155446115 /nfs/dbraw/zinc/44/61/15/155446115.db2.gz NPACSUSLAZPADG-UHFFFAOYSA-N 0 0 333.207 3.439 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OCCO2 ZINC000340093960 155095756 /nfs/dbraw/zinc/09/57/56/155095756.db2.gz DQZIROGXEZLTEZ-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN CCc1nc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cs1 ZINC000341063161 155131469 /nfs/dbraw/zinc/13/14/69/155131469.db2.gz DHDVOQLFFDJTTI-UHFFFAOYSA-N 0 0 337.426 3.022 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)oc2ccccc23)n1 ZINC000345446822 156111075 /nfs/dbraw/zinc/11/10/75/156111075.db2.gz GCOCPBMKZBJIPP-UHFFFAOYSA-N 0 0 336.307 3.480 10 5 EGBERN CC(C)[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000346882399 156177552 /nfs/dbraw/zinc/17/75/52/156177552.db2.gz FNAYKFZUBYICTC-CYBMUJFWSA-N 0 0 334.294 3.067 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346923748 156198519 /nfs/dbraw/zinc/19/85/19/156198519.db2.gz QTNGNBYZQZACNO-CYBMUJFWSA-N 0 0 345.321 3.486 10 5 EGBERN Cc1cc(C)n([C@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000348912834 156286217 /nfs/dbraw/zinc/28/62/17/156286217.db2.gz ULOJBRFLIAFSDL-GXTWGEPZSA-N 0 0 342.399 3.337 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1C ZINC000348932391 156291314 /nfs/dbraw/zinc/29/13/14/156291314.db2.gz XNIFGSWTGDDCNM-SECBINFHSA-N 0 0 341.367 3.334 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1ccccc1 ZINC000354471176 156541263 /nfs/dbraw/zinc/54/12/63/156541263.db2.gz BZAJFVNJALIDSZ-KGLIPLIRSA-N 0 0 328.393 3.359 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1c2ccccc2C[C@H]1O ZINC000365546219 157165297 /nfs/dbraw/zinc/16/52/97/157165297.db2.gz BZTALFLCCRELDR-TZMCWYRMSA-N 0 0 339.273 3.079 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC12CCC2 ZINC000365758163 157224267 /nfs/dbraw/zinc/22/42/67/157224267.db2.gz LYQICQZALVBHEA-UHFFFAOYSA-N 0 0 326.755 3.475 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC000368675626 157261933 /nfs/dbraw/zinc/26/19/33/157261933.db2.gz MBYPTCXIUOBBEY-FIXISWKDSA-N 0 0 337.807 3.450 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2)n[nH]1 ZINC000368850367 157305032 /nfs/dbraw/zinc/30/50/32/157305032.db2.gz PPWCJSKERZEIOD-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000372579795 157360010 /nfs/dbraw/zinc/36/00/10/157360010.db2.gz XMWWWBDHEBSRFQ-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000372804173 157387083 /nfs/dbraw/zinc/38/70/83/157387083.db2.gz ZNRCPDUPBXXGNA-AWEZNQCLSA-N 0 0 343.387 3.051 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000378087928 157466444 /nfs/dbraw/zinc/46/64/44/157466444.db2.gz LETVEOMXGFIKGA-IBGZPJMESA-N 0 0 340.379 3.164 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccccc2)n1C ZINC000092925222 161987852 /nfs/dbraw/zinc/98/78/52/161987852.db2.gz ZKIKMMTTZKSKRK-UHFFFAOYSA-N 0 0 339.355 3.011 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Br)cc2F)c1=O ZINC000096778527 162044010 /nfs/dbraw/zinc/04/40/10/162044010.db2.gz NCKOVNOOROPMKS-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC000109052543 162092208 /nfs/dbraw/zinc/09/22/08/162092208.db2.gz CNTFTWYCVCVNEO-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN CCOC(=O)c1cn(Cc2cccc([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000109709967 162110403 /nfs/dbraw/zinc/11/04/03/162110403.db2.gz IEFQMIPZBCILEF-UHFFFAOYSA-N 0 0 343.261 3.035 10 5 EGBERN CCCc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000109913253 162115415 /nfs/dbraw/zinc/11/54/15/162115415.db2.gz WUBQLDZRMRNLNL-SNVBAGLBSA-N 0 0 334.401 3.390 10 5 EGBERN CCOc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000110479763 162129090 /nfs/dbraw/zinc/12/90/90/162129090.db2.gz NGDGNNFJYHTYFQ-UHFFFAOYSA-N 0 0 341.367 3.090 10 5 EGBERN Cc1c(NC(=O)Nc2c[nH]nc2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000125229524 162268592 /nfs/dbraw/zinc/26/85/92/162268592.db2.gz GXUGMVCIBIHYPG-UHFFFAOYSA-N 0 0 338.327 3.332 10 5 EGBERN Cc1c(CN2CCO[C@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126757799 162312219 /nfs/dbraw/zinc/31/22/19/162312219.db2.gz ICBWRQUSAZZFFJ-SFHVURJKSA-N 0 0 328.368 3.182 10 5 EGBERN CCc1oc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000131165150 162392407 /nfs/dbraw/zinc/39/24/07/162392407.db2.gz HIJYCTMUASQHGO-UHFFFAOYSA-N 0 0 341.327 3.096 10 5 EGBERN O=C(COc1ccsc1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000337046626 163115088 /nfs/dbraw/zinc/11/50/88/163115088.db2.gz MSJITVKEUCKCOZ-UHFFFAOYSA-N 0 0 329.337 3.222 10 5 EGBERN CCSCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000337156908 163147500 /nfs/dbraw/zinc/14/75/00/163147500.db2.gz PHZLPVPCBOVWJA-UHFFFAOYSA-N 0 0 334.344 3.069 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000337254197 163181754 /nfs/dbraw/zinc/18/17/54/163181754.db2.gz PWZMYZYIRLBKFV-NOZJJQNGSA-N 0 0 330.306 3.484 10 5 EGBERN CC(C)c1noc2ncc(C(=O)NCc3ccccc3[N+](=O)[O-])cc21 ZINC000337258761 163183659 /nfs/dbraw/zinc/18/36/59/163183659.db2.gz UVEBDVWIXQBZHX-UHFFFAOYSA-N 0 0 340.339 3.184 10 5 EGBERN Cc1sc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000338504307 163250735 /nfs/dbraw/zinc/25/07/35/163250735.db2.gz UHTMGXAHDAHPDQ-NXEZZACHSA-N 0 0 326.418 3.288 10 5 EGBERN CCOc1cccc(N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)c1[N+](=O)[O-] ZINC000338839541 163360575 /nfs/dbraw/zinc/36/05/75/163360575.db2.gz HDHSINONLNDHPP-FVQBIDKESA-N 0 0 346.387 3.021 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000340398165 163569939 /nfs/dbraw/zinc/56/99/39/163569939.db2.gz SYYLOTHSIDIQFP-SFHVURJKSA-N 0 0 341.367 3.026 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000340739655 163657687 /nfs/dbraw/zinc/65/76/87/163657687.db2.gz HDEJCUXVYVWIJY-MRVPVSSYSA-N 0 0 330.369 3.332 10 5 EGBERN CN(C(=O)CSc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])nc1 ZINC000344208627 164126929 /nfs/dbraw/zinc/12/69/29/164126929.db2.gz KBUHCKZKHKISSM-UHFFFAOYSA-N 0 0 343.408 3.234 10 5 EGBERN CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000344397836 164169717 /nfs/dbraw/zinc/16/97/17/164169717.db2.gz YYSOLGIPRKFIPR-UHFFFAOYSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1)c1cccnc1 ZINC000344442924 164180437 /nfs/dbraw/zinc/18/04/37/164180437.db2.gz WLGVUTCAWYOOMT-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN Cc1c(CC(=O)NCCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000345713616 164250122 /nfs/dbraw/zinc/25/01/22/164250122.db2.gz OKOWSMNGFPNTET-UHFFFAOYSA-N 0 0 345.374 3.203 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2(F)CCC2)cc1OC ZINC000345732745 164255002 /nfs/dbraw/zinc/25/50/02/164255002.db2.gz BUYSJKBKWIFYFU-UHFFFAOYSA-N 0 0 340.351 3.014 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1(F)CCC1 ZINC000345758272 164260154 /nfs/dbraw/zinc/26/01/54/164260154.db2.gz SZOSNBJADXPMMC-JTQLQIEISA-N 0 0 344.770 3.414 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000345920947 164295429 /nfs/dbraw/zinc/29/54/29/164295429.db2.gz HJTLAAQECXQHJN-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)n1 ZINC000347206433 164461221 /nfs/dbraw/zinc/46/12/21/164461221.db2.gz BEFAFYCIQPRTKL-NWDGAFQWSA-N 0 0 325.328 3.132 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000347308372 164477344 /nfs/dbraw/zinc/47/73/44/164477344.db2.gz WGQGTUPWQMDCMT-INIZCTEOSA-N 0 0 338.791 3.199 10 5 EGBERN COCc1csc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000351637520 165106692 /nfs/dbraw/zinc/10/66/92/165106692.db2.gz VVFWJPXKXBKVRF-UHFFFAOYSA-N 0 0 335.385 3.114 10 5 EGBERN CCOC(=O)c1c(C)onc1COc1cc(C)c([N+](=O)[O-])cc1F ZINC000351652750 165116832 /nfs/dbraw/zinc/11/68/32/165116832.db2.gz SSSRHQIGTQMKFX-UHFFFAOYSA-N 0 0 338.291 3.094 10 5 EGBERN COc1cc(CNc2ccccc2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000352277765 165323378 /nfs/dbraw/zinc/32/33/78/165323378.db2.gz GEDVWGUOARKUIQ-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN COc1cc(CNc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000352282468 165325019 /nfs/dbraw/zinc/32/50/19/165325019.db2.gz YUJKXUBLCYEUFE-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000355054108 166095008 /nfs/dbraw/zinc/09/50/08/166095008.db2.gz IWYYMKMZUCMHMG-AWEZNQCLSA-N 0 0 348.334 3.183 10 5 EGBERN O=C(c1ccnc2ccncc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355153777 166118309 /nfs/dbraw/zinc/11/83/09/166118309.db2.gz UKVUARODIRRKMC-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000355529028 166232545 /nfs/dbraw/zinc/23/25/45/166232545.db2.gz SIEDHKXDKJTOKV-MRXNPFEDSA-N 0 0 330.388 3.106 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355587428 166252005 /nfs/dbraw/zinc/25/20/05/166252005.db2.gz UGHASHGHNRIZHD-ZDUSSCGKSA-N 0 0 349.412 3.437 10 5 EGBERN COc1ccc(C)cc1Cc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000355593007 166253884 /nfs/dbraw/zinc/25/38/84/166253884.db2.gz CXUJAJNABUSFFR-UHFFFAOYSA-N 0 0 340.339 3.256 10 5 EGBERN CCOc1cccnc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355676152 166280917 /nfs/dbraw/zinc/28/09/17/166280917.db2.gz QPMPZQYIJURUBK-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000356655860 166476681 /nfs/dbraw/zinc/47/66/81/166476681.db2.gz MQQGSMMSRJABQT-IJLUTSLNSA-N 0 0 343.383 3.355 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000357779698 166770621 /nfs/dbraw/zinc/77/06/21/166770621.db2.gz RPUZUXQMGYNFCA-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1ccc(F)cc1C(=O)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000358906682 167001726 /nfs/dbraw/zinc/00/17/26/167001726.db2.gz PLEZVGOQRIRKPS-NSHDSACASA-N 0 0 342.326 3.203 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2nccn2CC(F)(F)F)n1 ZINC000359085013 167063040 /nfs/dbraw/zinc/06/30/40/167063040.db2.gz SJRHIVLFHQYXRB-UHFFFAOYSA-N 0 0 343.309 3.002 10 5 EGBERN Cc1nc2ccccc2n1CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359099014 167066407 /nfs/dbraw/zinc/06/64/07/167066407.db2.gz NNOQLMVRCXZJMP-UHFFFAOYSA-N 0 0 325.372 3.377 10 5 EGBERN CC(C)n1nccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359162187 167085199 /nfs/dbraw/zinc/08/51/99/167085199.db2.gz MIRCZJHNWYQUJQ-UHFFFAOYSA-N 0 0 340.286 3.226 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000359399600 167145665 /nfs/dbraw/zinc/14/56/65/167145665.db2.gz MUMGVKLVVCQKLX-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN COCc1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000359690127 167210120 /nfs/dbraw/zinc/21/01/20/167210120.db2.gz URCMQSSEHQDVKB-UHFFFAOYSA-N 0 0 333.325 3.196 10 5 EGBERN COC[C@@H](C)[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000360726571 167398331 /nfs/dbraw/zinc/39/83/31/167398331.db2.gz CRVUUYXEQKLACF-BDAKNGLRSA-N 0 0 345.193 3.214 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccn1 ZINC000362751981 167833499 /nfs/dbraw/zinc/83/34/99/167833499.db2.gz KUTPUEXZFGCWMH-UHFFFAOYSA-N 0 0 327.674 3.103 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000364212559 167945056 /nfs/dbraw/zinc/94/50/56/167945056.db2.gz HJQHGYJSMBHMEN-HNNXBMFYSA-N 0 0 340.383 3.395 10 5 EGBERN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288606 168103164 /nfs/dbraw/zinc/10/31/64/168103164.db2.gz VTMAGMYAFZVQJZ-ZBFHGGJFSA-N 0 0 340.807 3.018 10 5 EGBERN COCCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000123819419 222336606 /nfs/dbraw/zinc/33/66/06/222336606.db2.gz GULPIBXTWFEPGY-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN COc1cc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000074983413 264632879 /nfs/dbraw/zinc/63/28/79/264632879.db2.gz YUXCOUCUZYFOMC-UHFFFAOYSA-N 0 0 336.369 3.021 10 5 EGBERN CCc1noc(CC)c1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000087142139 264681337 /nfs/dbraw/zinc/68/13/37/264681337.db2.gz MECNUTXQRNVRNU-LLVKDONJSA-N 0 0 343.383 3.228 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)s1 ZINC000089374218 264710149 /nfs/dbraw/zinc/71/01/49/264710149.db2.gz PFTQJWQWPDWJSH-SSDOTTSWSA-N 0 0 325.777 3.383 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000177787526 265279177 /nfs/dbraw/zinc/27/91/77/265279177.db2.gz IYXRBNPWDWOHQM-CQSZACIVSA-N 0 0 328.324 3.205 10 5 EGBERN CCOc1cccnc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177837303 265279739 /nfs/dbraw/zinc/27/97/39/265279739.db2.gz VLTJPIJQKGOILH-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178195142 265299442 /nfs/dbraw/zinc/29/94/42/265299442.db2.gz UPSCVBYPBHFRLP-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000186784324 265553623 /nfs/dbraw/zinc/55/36/23/265553623.db2.gz DMSYYTHVOIJTDG-UHFFFAOYSA-N 0 0 349.318 3.073 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)n1 ZINC000191526905 265910768 /nfs/dbraw/zinc/91/07/68/265910768.db2.gz MVUQXAVFYSHNAY-UHFFFAOYSA-N 0 0 341.327 3.082 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000193044566 266006619 /nfs/dbraw/zinc/00/66/19/266006619.db2.gz RYNMLILSPHJBPS-UHFFFAOYSA-N 0 0 341.245 3.449 10 5 EGBERN COc1cccc(C(=O)N(CCc2nccs2)C(C)C)c1[N+](=O)[O-] ZINC000194763592 266144637 /nfs/dbraw/zinc/14/46/37/266144637.db2.gz BHFDONJYOOOMJL-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN Cc1nc(C2CC2)oc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000273717944 267090186 /nfs/dbraw/zinc/09/01/86/267090186.db2.gz QBECFAAEFBPZSB-UHFFFAOYSA-N 0 0 327.300 3.068 10 5 EGBERN CC(C)(Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000273795548 267110359 /nfs/dbraw/zinc/11/03/59/267110359.db2.gz BEKAUDQJFPIJEP-UHFFFAOYSA-N 0 0 338.367 3.484 10 5 EGBERN C[C@H](c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)C1CC1 ZINC000274007569 267163464 /nfs/dbraw/zinc/16/34/64/267163464.db2.gz ODSMXLQWIHWADC-XPTSAGLGSA-N 0 0 328.328 3.357 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000277416009 267787103 /nfs/dbraw/zinc/78/71/03/267787103.db2.gz IEZRKKCCYMCHHO-JTQLQIEISA-N 0 0 330.344 3.023 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277454409 267795908 /nfs/dbraw/zinc/79/59/08/267795908.db2.gz NNMOEELMXMYWNM-NSHDSACASA-N 0 0 345.321 3.121 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000278077139 267936690 /nfs/dbraw/zinc/93/66/90/267936690.db2.gz OSJSLGHFGUHVMI-SECBINFHSA-N 0 0 347.293 3.410 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N[C@H]1CCOC3(CCSCC3)C1)CCN2 ZINC000278387068 268001730 /nfs/dbraw/zinc/00/17/30/268001730.db2.gz LXTVMGKYGJMUGT-LBPRGKRZSA-N 0 0 349.456 3.420 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)n1 ZINC000278498797 268026098 /nfs/dbraw/zinc/02/60/98/268026098.db2.gz WZJLOPOFJKSBPP-LBPRGKRZSA-N 0 0 328.372 3.118 10 5 EGBERN O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005399564 275117043 /nfs/dbraw/zinc/11/70/43/275117043.db2.gz IXDUONWZEGQTFX-UHFFFAOYSA-N 0 0 325.299 3.006 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184817916 275213904 /nfs/dbraw/zinc/21/39/04/275213904.db2.gz NBGWOKKVWVVOHQ-AWEZNQCLSA-N 0 0 344.371 3.095 10 5 EGBERN CC(C)C[C@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184977150 275214297 /nfs/dbraw/zinc/21/42/97/275214297.db2.gz LWJUKUXAPXYOFT-ZDUSSCGKSA-N 0 0 345.399 3.415 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000191755592 275222430 /nfs/dbraw/zinc/22/24/30/275222430.db2.gz VRGMNLJVRSHJBK-DGCLKSJQSA-N 0 0 347.396 3.016 10 5 EGBERN Cc1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3nonc32)cs1 ZINC000274995031 275248429 /nfs/dbraw/zinc/24/84/29/275248429.db2.gz FIJQSOCDEXLVQB-SNVBAGLBSA-N 0 0 331.357 3.237 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000280297373 275433788 /nfs/dbraw/zinc/43/37/88/275433788.db2.gz VGSWXAKFPVYXJA-UHFFFAOYSA-N 0 0 338.314 3.182 10 5 EGBERN COCC(C)(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280783743 275495448 /nfs/dbraw/zinc/49/54/48/275495448.db2.gz SMTAFWLOBDSFPJ-UHFFFAOYSA-N 0 0 345.193 3.277 10 5 EGBERN Cc1cn(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nc1[N+](=O)[O-] ZINC000282182999 275609403 /nfs/dbraw/zinc/60/94/03/275609403.db2.gz GISYLPQUXXSMJG-UHFFFAOYSA-N 0 0 348.378 3.066 10 5 EGBERN Cc1ccc(CS(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000283435962 275723064 /nfs/dbraw/zinc/72/30/64/275723064.db2.gz CWKGYZPINVZYKB-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285290489 275862443 /nfs/dbraw/zinc/86/24/43/275862443.db2.gz LETPHUSQDPHKRR-INIZCTEOSA-N 0 0 336.342 3.334 10 5 EGBERN C[C@@H]1c2ccsc2CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286034125 275943629 /nfs/dbraw/zinc/94/36/29/275943629.db2.gz GRMVGKMRPHUXLZ-SECBINFHSA-N 0 0 342.380 3.429 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000286091292 275950354 /nfs/dbraw/zinc/95/03/54/275950354.db2.gz DXIGMVPOTXZRDN-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN CCOC1CC2(C1)CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000286285426 275975722 /nfs/dbraw/zinc/97/57/22/275975722.db2.gz PBUSDBKIWWZBLT-GXDHUFHOSA-N 0 0 344.411 3.416 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(CCO)CCCC1 ZINC000286434856 276000264 /nfs/dbraw/zinc/00/02/64/276000264.db2.gz LHDXVOKDVPTJMD-UHFFFAOYSA-N 0 0 327.768 3.065 10 5 EGBERN C[C@@]12CCN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000291777439 276689640 /nfs/dbraw/zinc/68/96/40/276689640.db2.gz CGTHDBMXSVJKMH-GXSJLCMTSA-N 0 0 348.147 3.234 10 5 EGBERN COc1cc(C(=O)NC2CCC(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000128013828 277370223 /nfs/dbraw/zinc/37/02/23/277370223.db2.gz XNKKPEFHTLADDD-UHFFFAOYSA-N 0 0 336.388 3.311 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066713098 279923952 /nfs/dbraw/zinc/92/39/52/279923952.db2.gz XQVBJDPRRRQPSC-KSSFIOAISA-N 0 0 340.379 3.126 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2Sc1cccs1 ZINC000000169947 280370231 /nfs/dbraw/zinc/37/02/31/280370231.db2.gz VUPUISNBHVXDMK-JTQLQIEISA-N 0 0 327.408 3.277 10 5 EGBERN Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)C[C@@H](C)O2 ZINC000175051941 281076525 /nfs/dbraw/zinc/07/65/25/281076525.db2.gz WGWDRBIGJBPISQ-LLVKDONJSA-N 0 0 327.340 3.034 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N(C)CC3CC3)cc2[N+](=O)[O-])C1 ZINC000047919583 290453496 /nfs/dbraw/zinc/45/34/96/290453496.db2.gz SPKRSNOUKIKHEU-ZDUSSCGKSA-N 0 0 331.416 3.313 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N2CCC[C@@H](Cc3ccc(C)cc3)C2)n1C ZINC000050953002 293394829 /nfs/dbraw/zinc/39/48/29/293394829.db2.gz OVODPQYVJVCFAY-INIZCTEOSA-N 0 0 328.416 3.404 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(c1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000376423510 297495360 /nfs/dbraw/zinc/49/53/60/297495360.db2.gz XEGHTBCUQVPLKP-BFQNTYOBSA-N 0 0 340.807 3.411 10 5 EGBERN C[C@@H]1N(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000364938572 297515306 /nfs/dbraw/zinc/51/53/06/297515306.db2.gz CVFHTHFSKIZGOL-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000408106113 300294486 /nfs/dbraw/zinc/29/44/86/300294486.db2.gz JFXQAMZYSSEWFA-LKFCYVNXSA-N 0 0 347.198 3.286 10 5 EGBERN Cc1cc(C)c(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000055488782 307340632 /nfs/dbraw/zinc/34/06/32/307340632.db2.gz AJFHIGMMKAUCJF-UHFFFAOYSA-N 0 0 327.384 3.196 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000055798912 307341606 /nfs/dbraw/zinc/34/16/06/307341606.db2.gz NEWLIBSMPYSLHE-MSOLQXFVSA-N 0 0 340.379 3.379 10 5 EGBERN Cc1cc(OCc2noc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000068044353 307368880 /nfs/dbraw/zinc/36/88/80/307368880.db2.gz WQLVFAINMNEASN-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCCO1 ZINC000072610700 307380626 /nfs/dbraw/zinc/38/06/26/307380626.db2.gz PSAQJFVFNWWOIV-INIZCTEOSA-N 0 0 349.431 3.123 10 5 EGBERN Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000075402633 307399532 /nfs/dbraw/zinc/39/95/32/307399532.db2.gz MGOCWNMIBWCQPT-UHFFFAOYSA-N 0 0 346.412 3.319 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000157014788 307840811 /nfs/dbraw/zinc/84/08/11/307840811.db2.gz FMPSYSCYOPFZFK-NSHDSACASA-N 0 0 329.360 3.084 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(NC3(CO)CC3)c([N+](=O)[O-])c2)cc1 ZINC000157514468 307847348 /nfs/dbraw/zinc/84/73/48/307847348.db2.gz IFLNKHKSGWASHI-UHFFFAOYSA-N 0 0 341.367 3.092 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000160057764 307884179 /nfs/dbraw/zinc/88/41/79/307884179.db2.gz YXUOAKAELLONBF-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN CCC1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000160921813 307896115 /nfs/dbraw/zinc/89/61/15/307896115.db2.gz DXQIQOJHKJJCBF-UHFFFAOYSA-N 0 0 340.445 3.026 10 5 EGBERN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161083759 307898108 /nfs/dbraw/zinc/89/81/08/307898108.db2.gz PMFXMYDLAFISSZ-GWCFXTLKSA-N 0 0 334.401 3.119 10 5 EGBERN O=C(C/C=C\c1cccc(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000254967936 308035526 /nfs/dbraw/zinc/03/55/26/308035526.db2.gz DUAMFIHFGXKNAP-RQOWECAXSA-N 0 0 328.343 3.496 10 5 EGBERN COc1cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC000292868756 308074392 /nfs/dbraw/zinc/07/43/92/308074392.db2.gz OTUTXMMNKGSMHP-DZGCQCFKSA-N 0 0 340.326 3.029 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000293233138 308111857 /nfs/dbraw/zinc/11/18/57/308111857.db2.gz ZZXJRNLAQCZUFD-MRXNPFEDSA-N 0 0 329.400 3.111 10 5 EGBERN C[C@]12CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(F)F ZINC000294534390 308229864 /nfs/dbraw/zinc/22/98/64/308229864.db2.gz CROZIZDZIWCCFM-OCCSQVGLSA-N 0 0 344.745 3.294 10 5 EGBERN C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294566334 308233116 /nfs/dbraw/zinc/23/31/16/308233116.db2.gz BSLOUVATVBDPSJ-GFCCVEGCSA-N 0 0 327.388 3.345 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000294776809 308255957 /nfs/dbraw/zinc/25/59/57/308255957.db2.gz GIWSTRWLPLJNPU-NSHDSACASA-N 0 0 326.780 3.198 10 5 EGBERN CC[C@H](COCC(F)(F)F)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295066608 308287440 /nfs/dbraw/zinc/28/74/40/308287440.db2.gz ZEUHZKZHFMPBSY-MRVPVSSYSA-N 0 0 332.282 3.241 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295244938 308307119 /nfs/dbraw/zinc/30/71/19/308307119.db2.gz YNGFPECCVVNYQH-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000296511156 308435427 /nfs/dbraw/zinc/43/54/27/308435427.db2.gz CJCDJFWKMSXHLO-JTQLQIEISA-N 0 0 332.360 3.014 10 5 EGBERN C[C@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000297033391 308491983 /nfs/dbraw/zinc/49/19/83/308491983.db2.gz LEIAIUQXYJBLTA-CMPLNLGQSA-N 0 0 348.371 3.011 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000297381259 308528879 /nfs/dbraw/zinc/52/88/79/308528879.db2.gz KZKJDCXIIXIDGZ-BLLLJJGKSA-N 0 0 345.403 3.323 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000299413323 308673564 /nfs/dbraw/zinc/67/35/64/308673564.db2.gz QBLPAEFQMIONCJ-ZDUSSCGKSA-N 0 0 330.388 3.018 10 5 EGBERN CC(=O)Nc1ccc(CCNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301256722 308693797 /nfs/dbraw/zinc/69/37/97/308693797.db2.gz DMBNGWJNYRPYNB-UHFFFAOYSA-N 0 0 334.763 3.256 10 5 EGBERN Cc1cc(NC[C@H](O)C2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301300019 308695668 /nfs/dbraw/zinc/69/56/68/308695668.db2.gz UMGOAIPISIQQRZ-INIZCTEOSA-N 0 0 342.399 3.323 10 5 EGBERN Cc1nn(C)c(NC[C@H]2C[C@]23CCCc2ccccc23)c1[N+](=O)[O-] ZINC000301648782 308708941 /nfs/dbraw/zinc/70/89/41/308708941.db2.gz OZNOVWPTJKHIAT-RDTXWAMCSA-N 0 0 326.400 3.343 10 5 EGBERN COC(=O)c1cc(NCC2(O)CCCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301676417 308710533 /nfs/dbraw/zinc/71/05/33/308710533.db2.gz HQJVPEIXDZSIFT-UHFFFAOYSA-N 0 0 336.388 3.187 10 5 EGBERN CCc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)s1 ZINC000301688036 308710933 /nfs/dbraw/zinc/71/09/33/308710933.db2.gz XPPWDTOLUDMCQX-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc4c(c3)CCC4)cc2N1 ZINC000301710055 308712043 /nfs/dbraw/zinc/71/20/43/308712043.db2.gz XHRHCQTYFQMHFI-UHFFFAOYSA-N 0 0 339.351 3.027 10 5 EGBERN CCOC(=O)[C@]1(C)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301733651 308713111 /nfs/dbraw/zinc/71/31/11/308713111.db2.gz AKCVGUSPWONTND-CQSZACIVSA-N 0 0 346.305 3.393 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H](c3ccccc3)c3ccccn3)nn21 ZINC000301869604 308719300 /nfs/dbraw/zinc/71/93/00/308719300.db2.gz CKVIDMVJUGYUEZ-SFHVURJKSA-N 0 0 346.350 3.234 10 5 EGBERN Cc1cccc2[nH]c(CNc3nc4sccn4c3[N+](=O)[O-])nc21 ZINC000301900302 308720770 /nfs/dbraw/zinc/72/07/70/308720770.db2.gz UPBWVMFDGGXOTL-UHFFFAOYSA-N 0 0 328.357 3.101 10 5 EGBERN Cc1ccc(C)c(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)c1 ZINC000302076264 308728378 /nfs/dbraw/zinc/72/83/78/308728378.db2.gz YGGRCBUECCOPJG-UHFFFAOYSA-N 0 0 341.411 3.031 10 5 EGBERN COc1cc2c(cc1F)ncnc2Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000302279940 308735532 /nfs/dbraw/zinc/73/55/32/308735532.db2.gz IWUWDNRNMRYORV-UHFFFAOYSA-N 0 0 343.270 3.291 10 5 EGBERN O=C1[C@H](Nc2cccc(F)c2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302707349 308742649 /nfs/dbraw/zinc/74/26/49/308742649.db2.gz HFMZHUHUYALQQC-OAHLLOKOSA-N 0 0 347.321 3.086 10 5 EGBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000302866351 308748524 /nfs/dbraw/zinc/74/85/24/308748524.db2.gz VHGAISXGDOSRTL-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN CC[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330546980 308796138 /nfs/dbraw/zinc/79/61/38/308796138.db2.gz VLKKLBRARCUOKZ-NEPJUHHUSA-N 0 0 343.177 3.253 10 5 EGBERN C[C@H](CC(F)(F)F)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000410445117 308917214 /nfs/dbraw/zinc/91/72/14/308917214.db2.gz JFOFGTASVSOWKI-SECBINFHSA-N 0 0 342.277 3.308 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000411557428 308944070 /nfs/dbraw/zinc/94/40/70/308944070.db2.gz CPDPHVIIILCRKB-UHFFFAOYSA-N 0 0 347.415 3.091 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000412604414 308993495 /nfs/dbraw/zinc/99/34/95/308993495.db2.gz LFVAFCXDKFZUEP-YPMHNXCESA-N 0 0 348.790 3.048 10 5 EGBERN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000412938498 309008941 /nfs/dbraw/zinc/00/89/41/309008941.db2.gz FYRHUXRIMABOAC-OAHLLOKOSA-N 0 0 343.358 3.051 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000412945062 309009227 /nfs/dbraw/zinc/00/92/27/309009227.db2.gz IYOCSAXOAZONCT-OAHLLOKOSA-N 0 0 343.358 3.051 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000412945836 309009351 /nfs/dbraw/zinc/00/93/51/309009351.db2.gz JVVBSEFWFBCSKP-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413102539 309016329 /nfs/dbraw/zinc/01/63/29/309016329.db2.gz KJDPBUFSAHCLFO-UHFFFAOYSA-N 0 0 346.362 3.218 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000413194100 309020776 /nfs/dbraw/zinc/02/07/76/309020776.db2.gz BFIJJFLLPVHFKJ-QWRGUYRKSA-N 0 0 345.321 3.262 10 5 EGBERN COC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413322539 309026761 /nfs/dbraw/zinc/02/67/61/309026761.db2.gz RJHWOOLCJDMNBS-SNVBAGLBSA-N 0 0 333.310 3.262 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413362739 309028746 /nfs/dbraw/zinc/02/87/46/309028746.db2.gz SODKCIIZADNYIP-QGZVFWFLSA-N 0 0 346.387 3.029 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C(F)F)CC2)n1 ZINC000413439566 309032119 /nfs/dbraw/zinc/03/21/19/309032119.db2.gz KDSHAUQENQHJFB-UHFFFAOYSA-N 0 0 329.303 3.012 10 5 EGBERN C[C@@H]1C[C@H](O)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000417105283 309193225 /nfs/dbraw/zinc/19/32/25/309193225.db2.gz DXPYEDOFUGUGCP-YPMHNXCESA-N 0 0 335.404 3.127 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000420994113 309306632 /nfs/dbraw/zinc/30/66/32/309306632.db2.gz BUYGYALKNXBFBM-CYBMUJFWSA-N 0 0 344.333 3.493 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000421509511 309327707 /nfs/dbraw/zinc/32/77/07/309327707.db2.gz RUMASZHQPYGLOS-TUAOUCFPSA-N 0 0 332.356 3.065 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421523310 309328320 /nfs/dbraw/zinc/32/83/20/309328320.db2.gz STIPLDLCLJLPOC-HNNXBMFYSA-N 0 0 334.416 3.490 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000421524773 309328427 /nfs/dbraw/zinc/32/84/27/309328427.db2.gz LTGNFXOOQJLBNV-GJZGRUSLSA-N 0 0 332.400 3.100 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC12CCSCC2 ZINC000421594006 309331211 /nfs/dbraw/zinc/33/12/11/309331211.db2.gz XODHBIHEQJJLIV-AWEZNQCLSA-N 0 0 334.441 3.177 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000422133381 309355254 /nfs/dbraw/zinc/35/52/54/309355254.db2.gz XUBJLDWFVKXNGI-AAEUAGOBSA-N 0 0 338.429 3.082 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000422241484 309359000 /nfs/dbraw/zinc/35/90/00/309359000.db2.gz RPLCXNXVDITVMC-YOEHRIQHSA-N 0 0 347.415 3.226 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425023018 309462496 /nfs/dbraw/zinc/46/24/96/309462496.db2.gz XTQVTBNANBFZBE-QAPCUYQASA-N 0 0 344.342 3.361 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426906167 309519644 /nfs/dbraw/zinc/51/96/44/309519644.db2.gz YWDNKOWYEXJZMU-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN COC1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000427041086 309521463 /nfs/dbraw/zinc/52/14/63/309521463.db2.gz OXPBMZBNKWSZED-UHFFFAOYSA-N 0 0 332.356 3.276 10 5 EGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000427604900 309532136 /nfs/dbraw/zinc/53/21/36/309532136.db2.gz UEFWCKYLCHPNPZ-MRVPVSSYSA-N 0 0 342.808 3.407 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1noc(Cc2ccccc2)n1 ZINC000428700239 309559215 /nfs/dbraw/zinc/55/92/15/309559215.db2.gz LHJPOCYYBGIGJG-LLVKDONJSA-N 0 0 325.328 3.137 10 5 EGBERN COC[C@@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431247882 309628255 /nfs/dbraw/zinc/62/82/55/309628255.db2.gz PLMGPAVVWFFKDR-QMMMGPOBSA-N 0 0 345.193 3.277 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433934337 309700515 /nfs/dbraw/zinc/70/05/15/309700515.db2.gz YMGPNRMNFUJFID-SNVBAGLBSA-N 0 0 332.360 3.401 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000435602320 309736045 /nfs/dbraw/zinc/73/60/45/309736045.db2.gz UMHRRHPDZNIORF-ZJUUUORDSA-N 0 0 344.314 3.340 10 5 EGBERN COc1ccc(NC(=O)c2ccc(OC(C)C)cn2)cc1[N+](=O)[O-] ZINC000436052898 309745658 /nfs/dbraw/zinc/74/56/58/309745658.db2.gz QKSVMZZWPXYQHL-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN Cc1ccncc1CN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455112784 310345121 /nfs/dbraw/zinc/34/51/21/310345121.db2.gz TVUOSYDFRGLIST-ZDUSSCGKSA-N 0 0 328.372 3.201 10 5 EGBERN Cc1cc(NC(=O)c2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000438935438 309822652 /nfs/dbraw/zinc/82/26/52/309822652.db2.gz JXLSSSQKQLNHHF-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN CC1CCN(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443045465 309894044 /nfs/dbraw/zinc/89/40/44/309894044.db2.gz IFIANMSLFMLHLL-HNNXBMFYSA-N 0 0 335.429 3.494 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCN(C3CCCCC3)C2=O)n1 ZINC000443521693 309902636 /nfs/dbraw/zinc/90/26/36/309902636.db2.gz JZDHTHVEJGOZHG-OAHLLOKOSA-N 0 0 346.431 3.342 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc(OCCO)c1 ZINC000447061012 309973084 /nfs/dbraw/zinc/97/30/84/309973084.db2.gz TXBLQFSJLUQVNZ-UHFFFAOYSA-N 0 0 346.383 3.285 10 5 EGBERN COc1ccc(C(=O)Nc2cc(C3(C)CCCC3)on2)cc1[N+](=O)[O-] ZINC000448413330 310003782 /nfs/dbraw/zinc/00/37/82/310003782.db2.gz JOVMLCFAQKJYGI-UHFFFAOYSA-N 0 0 345.355 3.097 10 5 EGBERN COc1cc(CN2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426289 310061149 /nfs/dbraw/zinc/06/11/49/310061149.db2.gz KQUWHZJLDAAYIV-GFCCVEGCSA-N 0 0 342.342 3.232 10 5 EGBERN O=[N+]([O-])c1ccc(OC2CCN(c3nc(C4CCC4)no3)CC2)cc1 ZINC000450359336 310117637 /nfs/dbraw/zinc/11/76/37/310117637.db2.gz GFZFGHIFETVYNP-UHFFFAOYSA-N 0 0 344.371 3.293 10 5 EGBERN O=[N+]([O-])c1ccc(CN(Cc2nnc(C3CC3)s2)C2CC2)cc1 ZINC000450651580 310135274 /nfs/dbraw/zinc/13/52/74/310135274.db2.gz TWNLJDFEQWTTFF-UHFFFAOYSA-N 0 0 330.413 3.488 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450907948 310149102 /nfs/dbraw/zinc/14/91/02/310149102.db2.gz QZCKJBULZMNBRC-VHSXEESVSA-N 0 0 332.447 3.075 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276456 310169400 /nfs/dbraw/zinc/16/94/00/310169400.db2.gz ZGLUEULCTNIIIF-QAPCUYQASA-N 0 0 348.349 3.034 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451980995 310206508 /nfs/dbraw/zinc/20/65/08/310206508.db2.gz RWGBYJRDLMOOFO-HNNXBMFYSA-N 0 0 348.380 3.104 10 5 EGBERN COc1cc(C)c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000452180305 310217197 /nfs/dbraw/zinc/21/71/97/310217197.db2.gz CSLPVUUWLZQUBD-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN COc1ccc(C)cc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452181705 310217395 /nfs/dbraw/zinc/21/73/95/310217395.db2.gz IFLBDIWEQIBSIO-ZDUSSCGKSA-N 0 0 328.368 3.332 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000452195810 310218063 /nfs/dbraw/zinc/21/80/63/310218063.db2.gz YXJORBYZJSCEAP-CYBMUJFWSA-N 0 0 346.362 3.388 10 5 EGBERN CCc1nc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000452843370 310245105 /nfs/dbraw/zinc/24/51/05/310245105.db2.gz IEAHICAUOAQOHL-AWEZNQCLSA-N 0 0 343.383 3.473 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870649 310246746 /nfs/dbraw/zinc/24/67/46/310246746.db2.gz ZREZYKBOMKQNRI-AWEZNQCLSA-N 0 0 342.399 3.461 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(COC3CCCC3)n2)c2c1NCCC2 ZINC000453235368 310265809 /nfs/dbraw/zinc/26/58/09/310265809.db2.gz KCRCNVQOCCPHTF-UHFFFAOYSA-N 0 0 344.371 3.462 10 5 EGBERN C[C@@]12CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000454305574 310302591 /nfs/dbraw/zinc/30/25/91/310302591.db2.gz SELZHIDWCIIDGQ-PBYNLASCSA-N 0 0 331.347 3.410 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000454618955 310320327 /nfs/dbraw/zinc/32/03/27/310320327.db2.gz QUOLYLRXPWIGNT-CQSZACIVSA-N 0 0 349.431 3.470 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CC1 ZINC000454769619 310328511 /nfs/dbraw/zinc/32/85/11/310328511.db2.gz JQOGIPDHIQVGEU-JSGCOSHPSA-N 0 0 337.807 3.136 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000456111320 310388991 /nfs/dbraw/zinc/38/89/91/310388991.db2.gz AUTMVYMNPHSTBY-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN Cc1cnc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(O)c1 ZINC000456153087 310390942 /nfs/dbraw/zinc/39/09/42/310390942.db2.gz WNEMEYVLIZDEMJ-CQSZACIVSA-N 0 0 341.367 3.024 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCCc1cccnc1 ZINC000457902880 310477394 /nfs/dbraw/zinc/47/73/94/310477394.db2.gz CTAHWHLDUWAECO-CQSZACIVSA-N 0 0 327.384 3.439 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(N2CCC2)nc1 ZINC000459953669 310578359 /nfs/dbraw/zinc/57/83/59/310578359.db2.gz SVPYFYBPVJBWEI-UHFFFAOYSA-N 0 0 326.356 3.069 10 5 EGBERN C[C@H](CO)CSc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462485810 310600356 /nfs/dbraw/zinc/60/03/56/310600356.db2.gz ZRPHDWRAHOFUAR-GFCCVEGCSA-N 0 0 334.397 3.289 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465869910 310639097 /nfs/dbraw/zinc/63/90/97/310639097.db2.gz FWXBPTNEOHUGMY-ACJLOTCBSA-N 0 0 339.395 3.370 10 5 EGBERN COC(=O)c1cc(NC[C@]2(C)CCO[C@H]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000466637871 310656201 /nfs/dbraw/zinc/65/62/01/310656201.db2.gz RBBNENMWWPXFKG-WMZOPIPTSA-N 0 0 348.399 3.307 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000474293229 310789780 /nfs/dbraw/zinc/78/97/80/310789780.db2.gz QMPGJPGCERCHNO-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)CCc2cccn2C)cc(C)c1[N+](=O)[O-] ZINC000474772460 310799083 /nfs/dbraw/zinc/79/90/83/310799083.db2.gz DQHAGDQYPMZLDC-ZDUSSCGKSA-N 0 0 345.399 3.462 10 5 EGBERN Cc1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc([N+](=O)[O-])c1 ZINC000476184417 310823424 /nfs/dbraw/zinc/82/34/24/310823424.db2.gz YRZVPEPXRMSPDT-INIZCTEOSA-N 0 0 326.352 3.384 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000479188613 310870432 /nfs/dbraw/zinc/87/04/32/310870432.db2.gz PSMULTMWDLYSOD-UHFFFAOYSA-N 0 0 346.358 3.470 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000485374531 310976407 /nfs/dbraw/zinc/97/64/07/310976407.db2.gz FMXGDWHMUWAUNI-JKSUJKDBSA-N 0 0 348.399 3.326 10 5 EGBERN Cc1cc(F)ccc1CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487962690 311045066 /nfs/dbraw/zinc/04/50/66/311045066.db2.gz ZGASZDIBBLXWAI-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN CN(C)c1nnc(Sc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000488084571 311050925 /nfs/dbraw/zinc/05/09/25/311050925.db2.gz QSZNXJBCYMJGPO-UHFFFAOYSA-N 0 0 333.398 3.212 10 5 EGBERN CC(=O)[C@H](C)CCCCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000489800954 311121279 /nfs/dbraw/zinc/12/12/79/311121279.db2.gz HTHRIBILXRKRIS-SNVBAGLBSA-N 0 0 332.360 3.165 10 5 EGBERN C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000492324975 311238304 /nfs/dbraw/zinc/23/83/04/311238304.db2.gz SLFXQHDHLLRQEX-NHAQELONSA-N 0 0 348.362 3.429 10 5 EGBERN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492364323 311242235 /nfs/dbraw/zinc/24/22/35/311242235.db2.gz IRSSWQKDJGZEQM-CNELAYHGSA-N 0 0 326.352 3.494 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNC1(C(=O)Nc2ccccc2)CC1 ZINC000495163313 311540033 /nfs/dbraw/zinc/54/00/33/311540033.db2.gz IFUWWMWXHJNVSM-UHFFFAOYSA-N 0 0 325.368 3.164 10 5 EGBERN COc1cc(Cl)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000502469349 311965648 /nfs/dbraw/zinc/96/56/48/311965648.db2.gz BTHOAVWYMOOODJ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2C)cc1C ZINC000512143455 312176945 /nfs/dbraw/zinc/17/69/45/312176945.db2.gz RJRTZXIJYMUSGA-ZDUSSCGKSA-N 0 0 326.418 3.165 10 5 EGBERN C[C@H]1CCCC[C@H]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512185718 312178220 /nfs/dbraw/zinc/17/82/20/312178220.db2.gz YXFSWEGMDYELSY-QWRGUYRKSA-N 0 0 332.447 3.151 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512972429 312198893 /nfs/dbraw/zinc/19/88/93/312198893.db2.gz CZFGXQPHXCKYJM-OAHLLOKOSA-N 0 0 342.395 3.311 10 5 EGBERN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc([N+](=O)[O-])cn1 ZINC000515276452 312274115 /nfs/dbraw/zinc/27/41/15/312274115.db2.gz QJXLYJBEKYHSIB-UHFFFAOYSA-N 0 0 331.715 3.024 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000515392293 312280780 /nfs/dbraw/zinc/28/07/80/312280780.db2.gz QFBDSVRKTDWDOX-LNSITVRQSA-N 0 0 347.415 3.490 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000516172701 312312473 /nfs/dbraw/zinc/31/24/73/312312473.db2.gz VKWUNZXNNUOKED-DZGCQCFKSA-N 0 0 347.415 3.053 10 5 EGBERN C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000517473983 312380301 /nfs/dbraw/zinc/38/03/01/312380301.db2.gz QSCCSFSHODTUGQ-CYBMUJFWSA-N 0 0 337.379 3.298 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000518828347 312431423 /nfs/dbraw/zinc/43/14/23/312431423.db2.gz ITOCPXAWNGPOBC-AWEZNQCLSA-N 0 0 328.372 3.079 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000521615699 312552902 /nfs/dbraw/zinc/55/29/02/312552902.db2.gz NZHDDEHNWGBCHT-IAGOWNOFSA-N 0 0 338.363 3.296 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000522250464 312583416 /nfs/dbraw/zinc/58/34/16/312583416.db2.gz YGQOAJFJCDLUME-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000527285359 312850431 /nfs/dbraw/zinc/85/04/31/312850431.db2.gz DOSPAUAKCRASIQ-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000531880910 313725581 /nfs/dbraw/zinc/72/55/81/313725581.db2.gz BPRFCMYQRMZJHT-LBPRGKRZSA-N 0 0 341.367 3.444 10 5 EGBERN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531885835 313726056 /nfs/dbraw/zinc/72/60/56/313726056.db2.gz CZISGDGCQKCGRD-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CNc1ccc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc1[N+](=O)[O-] ZINC000532632778 313823094 /nfs/dbraw/zinc/82/30/94/313823094.db2.gz HWAWMXNOKLGHTL-UHFFFAOYSA-N 0 0 347.321 3.113 10 5 EGBERN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000538695924 314265711 /nfs/dbraw/zinc/26/57/11/314265711.db2.gz QPBXCFCGVNBTPQ-HNNXBMFYSA-N 0 0 341.342 3.495 10 5 EGBERN COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000539239816 314301959 /nfs/dbraw/zinc/30/19/59/314301959.db2.gz ZSVFODMZXFSYTI-BZNIZROVSA-N 0 0 332.331 3.299 10 5 EGBERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cn1 ZINC000539479131 314316097 /nfs/dbraw/zinc/31/60/97/314316097.db2.gz FIPHBVBAGICLSL-CYBMUJFWSA-N 0 0 347.758 3.287 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541927130 314506073 /nfs/dbraw/zinc/50/60/73/314506073.db2.gz BCSJYCOSPVZBQU-NSHDSACASA-N 0 0 328.315 3.314 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000542111406 314518004 /nfs/dbraw/zinc/51/80/04/314518004.db2.gz DPULYVQPZPJPEK-ZDUSSCGKSA-N 0 0 325.368 3.424 10 5 EGBERN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542252118 314529114 /nfs/dbraw/zinc/52/91/14/314529114.db2.gz BGCWIUAXSXBEQY-CQSZACIVSA-N 0 0 336.388 3.083 10 5 EGBERN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])cc1C ZINC000543661998 314644112 /nfs/dbraw/zinc/64/41/12/314644112.db2.gz JEIGOAYGFXYIHV-QGZVFWFLSA-N 0 0 341.367 3.116 10 5 EGBERN Cc1ccc(CCCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000545777669 314781448 /nfs/dbraw/zinc/78/14/48/314781448.db2.gz OCZHQRJHVOKMOK-UHFFFAOYSA-N 0 0 338.367 3.447 10 5 EGBERN O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3ccc4c(c3)OCO4)no2)c1 ZINC000547002057 314869405 /nfs/dbraw/zinc/86/94/05/314869405.db2.gz QDIFXSAHABNGJN-UHFFFAOYSA-N 0 0 343.270 3.103 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCCC[C@H]2C)c1 ZINC000547947975 314953070 /nfs/dbraw/zinc/95/30/70/314953070.db2.gz MYPDIPLMWINTIF-GFCCVEGCSA-N 0 0 326.418 3.165 10 5 EGBERN Cc1c(C(=O)NCc2ccncc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000548395181 315003769 /nfs/dbraw/zinc/00/37/69/315003769.db2.gz DMINFLOXQGATJU-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000549061216 315072359 /nfs/dbraw/zinc/07/23/59/315072359.db2.gz BQPIEOSMAGTJCE-UHFFFAOYSA-N 0 0 343.305 3.254 10 5 EGBERN CCOc1ccc(OCCN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000550569436 315130393 /nfs/dbraw/zinc/13/03/93/315130393.db2.gz WXUILIFYHSBCRK-UHFFFAOYSA-N 0 0 342.395 3.431 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn3cccnc3n2)cc1[N+](=O)[O-] ZINC000552411113 315219248 /nfs/dbraw/zinc/21/92/48/315219248.db2.gz MSZRPQQFRXTSIB-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000554491069 315322705 /nfs/dbraw/zinc/32/27/05/315322705.db2.gz DTDMRPVCPQKLEV-GFCCVEGCSA-N 0 0 333.775 3.216 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000554716835 315344681 /nfs/dbraw/zinc/34/46/81/315344681.db2.gz DBQRIKGBOZMBTK-HFBDOXOYSA-N 0 0 326.343 3.356 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000556872626 315478240 /nfs/dbraw/zinc/47/82/40/315478240.db2.gz PSFWYLXSDJCMJH-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN C[C@H]1C[C@@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561563082 315770466 /nfs/dbraw/zinc/77/04/66/315770466.db2.gz TWNQZVYYKYRKRI-QWRGUYRKSA-N 0 0 346.474 3.492 10 5 EGBERN CCC[C@@H]1[C@@H](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000563738755 316063636 /nfs/dbraw/zinc/06/36/36/316063636.db2.gz KIBJQPGXYVMGPO-SMDDNHRTSA-N 0 0 335.404 3.490 10 5 EGBERN COc1cc(C)cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000564069390 316108605 /nfs/dbraw/zinc/10/86/05/316108605.db2.gz DMSCMMJUQHXYAE-CYBMUJFWSA-N 0 0 328.368 3.332 10 5 EGBERN CCCN(CCC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564634889 316178801 /nfs/dbraw/zinc/17/88/01/316178801.db2.gz GIAYNJDBMZSHQT-UHFFFAOYSA-N 0 0 332.404 3.450 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000564718030 316193935 /nfs/dbraw/zinc/19/39/35/316193935.db2.gz HMQQEQDYJRHQCS-LBPRGKRZSA-N 0 0 341.367 3.320 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565115278 316268976 /nfs/dbraw/zinc/26/89/76/316268976.db2.gz OYRYTHDQHDRBBC-NOZJJQNGSA-N 0 0 348.321 3.141 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000565226415 316295490 /nfs/dbraw/zinc/29/54/90/316295490.db2.gz KYBPJKSMUGUUTJ-KBXCAEBGSA-N 0 0 328.368 3.182 10 5 EGBERN CC1(C)CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000565514735 316333253 /nfs/dbraw/zinc/33/32/53/316333253.db2.gz OQTRCZZVOFPMIC-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN Cc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])nc3)n2C)c1 ZINC000566821873 316531325 /nfs/dbraw/zinc/53/13/25/316531325.db2.gz WORAVLFGQDLSNF-UHFFFAOYSA-N 0 0 327.369 3.245 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C)cc1SC ZINC000112248863 454882774 /nfs/dbraw/zinc/88/27/74/454882774.db2.gz XSZHUMBNFRPZBG-SECBINFHSA-N 0 0 326.418 3.490 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000568695058 316808024 /nfs/dbraw/zinc/80/80/24/316808024.db2.gz KRRMNPXOGPNADH-OLZOCXBDSA-N 0 0 344.415 3.449 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000568944612 316842822 /nfs/dbraw/zinc/84/28/22/316842822.db2.gz DBMLHOXZZJVOPI-UHFFFAOYSA-N 0 0 345.321 3.318 10 5 EGBERN CC(C)Oc1nc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000570060813 317002837 /nfs/dbraw/zinc/00/28/37/317002837.db2.gz SQOMGRPZAUKMAD-GXTWGEPZSA-N 0 0 337.420 3.010 10 5 EGBERN CCn1nc(C)c(CNc2c3ccccc3ncc2[N+](=O)[O-])c1C ZINC000570109866 317008708 /nfs/dbraw/zinc/00/87/08/317008708.db2.gz YBHMPPKWSWOVIU-UHFFFAOYSA-N 0 0 325.372 3.010 10 5 EGBERN COCCN(CC(C)C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570128793 317011221 /nfs/dbraw/zinc/01/12/21/317011221.db2.gz SVFXKEOBBPRRJU-UHFFFAOYSA-N 0 0 348.321 3.358 10 5 EGBERN O=[N+]([O-])c1c(N2CC[C@@](F)(c3ccccc3)C2)nc2sccn21 ZINC000571227261 317169122 /nfs/dbraw/zinc/16/91/22/317169122.db2.gz OAJODGAQAZRXKF-HNNXBMFYSA-N 0 0 332.360 3.379 10 5 EGBERN O=[N+]([O-])c1c(N2CC[C@](F)(c3ccccc3)C2)nc2sccn21 ZINC000571227262 317169179 /nfs/dbraw/zinc/16/91/79/317169179.db2.gz OAJODGAQAZRXKF-OAHLLOKOSA-N 0 0 332.360 3.379 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571465549 317202981 /nfs/dbraw/zinc/20/29/81/317202981.db2.gz CNFQFDKLQFBSNX-LBPRGKRZSA-N 0 0 341.367 3.320 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000571820544 317252287 /nfs/dbraw/zinc/25/22/87/317252287.db2.gz SEHOSECBMKBJMA-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN O=C(N[C@H](C1CC1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574311123 317584720 /nfs/dbraw/zinc/58/47/20/317584720.db2.gz PDNFWJSFZHTAQZ-CYBMUJFWSA-N 0 0 343.305 3.003 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(F)cc1F ZINC000171446232 323235240 /nfs/dbraw/zinc/23/52/40/323235240.db2.gz WXQJSQODQBTYAZ-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171665563 323245810 /nfs/dbraw/zinc/24/58/10/323245810.db2.gz MLCKCFOGGIKBKS-UHFFFAOYSA-N 0 0 342.399 3.154 10 5 EGBERN CCc1nn(C)c(N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302703215 456378949 /nfs/dbraw/zinc/37/89/49/456378949.db2.gz ISHHBVZDIAEYEG-JTQLQIEISA-N 0 0 334.342 3.306 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CCC(C)(C)C)C1=O ZINC000349281520 324005035 /nfs/dbraw/zinc/00/50/35/324005035.db2.gz VNGUCIKOLHARMZ-RISCZKNCSA-N 0 0 333.388 3.403 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cncs4)no3)c2c1 ZINC000350915237 324138495 /nfs/dbraw/zinc/13/84/95/324138495.db2.gz MONPRKWSJZDODD-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(OC(C)C)c3)n2)nn1 ZINC000351253604 324210895 /nfs/dbraw/zinc/21/08/95/324210895.db2.gz CLHXCDCKKQNUBU-UHFFFAOYSA-N 0 0 341.327 3.197 10 5 EGBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC(C)(C)C1 ZINC000578420328 324965877 /nfs/dbraw/zinc/96/58/77/324965877.db2.gz XVRZGQOLFZJUFT-UHFFFAOYSA-N 0 0 348.399 3.405 10 5 EGBERN COc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000579156869 325070618 /nfs/dbraw/zinc/07/06/18/325070618.db2.gz OOMIPFYAANYNHX-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2cccc(C)c2)CC1 ZINC000579404548 325104301 /nfs/dbraw/zinc/10/43/01/325104301.db2.gz IHTWJJGBSCULLI-UHFFFAOYSA-N 0 0 327.384 3.238 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000579896402 325172204 /nfs/dbraw/zinc/17/22/04/325172204.db2.gz IHRMXVYUHJIHPK-UHFFFAOYSA-N 0 0 333.388 3.101 10 5 EGBERN CN(C(=O)CSCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000580748954 325291115 /nfs/dbraw/zinc/29/11/15/325291115.db2.gz FSFKADIBRDAXBU-UHFFFAOYSA-N 0 0 344.392 3.174 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNc1ccc2c(c1)CCCC2 ZINC000581247285 325345668 /nfs/dbraw/zinc/34/56/68/325345668.db2.gz UPHWCZOOHYJOMV-KRWDZBQOSA-N 0 0 342.395 3.325 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000173107837 455233242 /nfs/dbraw/zinc/23/32/42/455233242.db2.gz CPDNUIREBPIFJA-QGZVFWFLSA-N 0 0 345.374 3.434 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](C)C2 ZINC000183168504 455242997 /nfs/dbraw/zinc/24/29/97/455242997.db2.gz CCZFZCFDTYVTIC-DIFFPNOSSA-N 0 0 325.368 3.149 10 5 EGBERN Cc1sc2nc(COc3ncc(C)cc3[N+](=O)[O-])nc(N)c2c1C ZINC000157968391 455254480 /nfs/dbraw/zinc/25/44/80/455254480.db2.gz PSLOOCSIXMBLDW-UHFFFAOYSA-N 0 0 345.384 3.081 10 5 EGBERN COC(=O)c1cnc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000600648161 460558504 /nfs/dbraw/zinc/55/85/04/460558504.db2.gz SLJFPQAGTIWEMK-SNVBAGLBSA-N 0 0 333.369 3.166 10 5 EGBERN COc1ccc([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000068890 452498933 /nfs/dbraw/zinc/49/89/33/452498933.db2.gz YDLIJYZWXOHASR-KRWDZBQOSA-N 0 0 344.392 3.491 10 5 EGBERN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cccnc1 ZINC000000266362 452549468 /nfs/dbraw/zinc/54/94/68/452549468.db2.gz GOFIZDOWVDVRHJ-HNNXBMFYSA-N 0 0 329.331 3.496 10 5 biogenic EGBERN CC(C)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000003234940 452750589 /nfs/dbraw/zinc/75/05/89/452750589.db2.gz AXAYVZHJVXDYAA-UHFFFAOYSA-N 0 0 332.312 3.107 10 5 EGBERN CSc1ccccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003506685 452774397 /nfs/dbraw/zinc/77/43/97/452774397.db2.gz UQTPQEKOAZMFPX-UHFFFAOYSA-N 0 0 346.364 3.112 10 5 EGBERN C[C@@H]1CCC[C@H](Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000004684423 452813614 /nfs/dbraw/zinc/81/36/14/452813614.db2.gz HZPHUBGSCUDUQB-BZPMIXESSA-N 0 0 345.399 3.485 10 5 EGBERN Cc1csc([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183707129 455323640 /nfs/dbraw/zinc/32/36/40/455323640.db2.gz HUHWJSCDXKJDKO-UWVGGRQHSA-N 0 0 337.376 3.480 10 5 EGBERN CN(C)c1ccc(C(=O)OCCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000005363074 452863084 /nfs/dbraw/zinc/86/30/84/452863084.db2.gz MDPHGKISUFPJDS-UHFFFAOYSA-N 0 0 348.330 3.036 10 5 EGBERN O=C([C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000005468557 452876959 /nfs/dbraw/zinc/87/69/59/452876959.db2.gz JUAGSAAJIGTHQP-QGZVFWFLSA-N 0 0 344.342 3.476 10 5 EGBERN O=C(c1ccccc1)n1cnnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000005602268 452887342 /nfs/dbraw/zinc/88/73/42/452887342.db2.gz TVPKPVFBISKINF-UHFFFAOYSA-N 0 0 340.364 3.167 10 5 EGBERN COc1ccc([C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000007366799 453065747 /nfs/dbraw/zinc/06/57/47/453065747.db2.gz GJLULXYLLOKFBK-VIFPVBQESA-N 0 0 333.319 3.015 10 5 EGBERN Cc1cc(NC(=O)CN(C)Cc2ccsc2)c([N+](=O)[O-])cc1C ZINC000007926930 453133573 /nfs/dbraw/zinc/13/35/73/453133573.db2.gz KTSNDOFHHMAAGH-UHFFFAOYSA-N 0 0 333.413 3.344 10 5 EGBERN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 ZINC000008172513 453172809 /nfs/dbraw/zinc/17/28/09/453172809.db2.gz LMIMLFHIINZKBF-ZDUSSCGKSA-N 0 0 343.383 3.282 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 ZINC000008687840 453222059 /nfs/dbraw/zinc/22/20/59/453222059.db2.gz RNUZJGMTKLDMKJ-CYBMUJFWSA-N 0 0 343.383 3.354 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCC2)c(Cl)c1 ZINC000159103719 455352995 /nfs/dbraw/zinc/35/29/95/455352995.db2.gz IBVTWGLLZLRVQI-UHFFFAOYSA-N 0 0 330.793 3.027 10 5 EGBERN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000174041719 455353794 /nfs/dbraw/zinc/35/37/94/455353794.db2.gz PDFWYICYZGVEGC-WBMJQRKESA-N 0 0 343.383 3.260 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600760509 460593519 /nfs/dbraw/zinc/59/35/19/460593519.db2.gz UWOSVDCLMBBETR-UGSOOPFHSA-N 0 0 340.383 3.185 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012729219 453395594 /nfs/dbraw/zinc/39/55/94/453395594.db2.gz NXJGGJBKUPXOQU-RYUDHWBXSA-N 0 0 330.306 3.375 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(F)cc2)=N1 ZINC000013744688 453486500 /nfs/dbraw/zinc/48/65/00/453486500.db2.gz MKZDDTPXEWPKGB-UHFFFAOYSA-N 0 0 327.315 3.374 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000016086483 453593022 /nfs/dbraw/zinc/59/30/22/453593022.db2.gz GRPXFWYEGNBKII-JTQLQIEISA-N 0 0 340.788 3.288 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(C(F)(F)F)CC1 ZINC000027891333 453821079 /nfs/dbraw/zinc/82/10/79/453821079.db2.gz NBKFWBNUUUFLBM-UHFFFAOYSA-N 0 0 346.305 3.211 10 5 EGBERN CN(Cc1cncc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000029724617 453830932 /nfs/dbraw/zinc/83/09/32/453830932.db2.gz PQLGFPAPLSPZLW-UHFFFAOYSA-N 0 0 336.189 3.384 10 5 EGBERN O=C(c1coc(Br)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888127 453832322 /nfs/dbraw/zinc/83/23/22/453832322.db2.gz OIUOCVPBRLSDJX-UHFFFAOYSA-N 0 0 337.129 3.153 10 5 EGBERN COc1cccc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000030964041 453842120 /nfs/dbraw/zinc/84/21/20/453842120.db2.gz KVPSMVUCLCGHKA-HNNXBMFYSA-N 0 0 341.411 3.487 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000066524360 453849781 /nfs/dbraw/zinc/84/97/81/453849781.db2.gz LVUBKAKYLYCRCY-CYBMUJFWSA-N 0 0 338.367 3.281 10 5 EGBERN CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000066524359 453849791 /nfs/dbraw/zinc/84/97/91/453849791.db2.gz LVUBKAKYLYCRCY-ZDUSSCGKSA-N 0 0 338.367 3.281 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000031632172 453850659 /nfs/dbraw/zinc/85/06/59/453850659.db2.gz UUPSWJJALFWTLP-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN Cc1cc(C)n(-c2ccc(CCNc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000066808956 453875617 /nfs/dbraw/zinc/87/56/17/453875617.db2.gz OFCBAQZKHTXOAD-UHFFFAOYSA-N 0 0 337.383 3.447 10 5 EGBERN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000075294395 453876727 /nfs/dbraw/zinc/87/67/27/453876727.db2.gz OCQOILIATOOQKX-QAPCUYQASA-N 0 0 345.399 3.352 10 5 EGBERN COc1ccc(OC)c(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000032908246 453896646 /nfs/dbraw/zinc/89/66/46/453896646.db2.gz SPLWYJYKHXMFBB-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCOc1ccc(F)cc1 ZINC000033462672 453915044 /nfs/dbraw/zinc/91/50/44/453915044.db2.gz CFCYZVPPTPUKCA-KMKOMSMNSA-N 0 0 331.299 3.369 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067512140 453937330 /nfs/dbraw/zinc/93/73/30/453937330.db2.gz VMJMDPFROCFNDX-DOTOQJQBSA-N 0 0 337.379 3.455 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067556225 453942860 /nfs/dbraw/zinc/94/28/60/453942860.db2.gz SENDYTYZNNLHQQ-KBPBESRZSA-N 0 0 327.340 3.281 10 5 EGBERN COc1ccc(CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000067821144 453969370 /nfs/dbraw/zinc/96/93/70/453969370.db2.gz SOZAQOKHOCMBQZ-PJPHBNEVSA-N 0 0 344.411 3.183 10 5 EGBERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000067977223 453985562 /nfs/dbraw/zinc/98/55/62/453985562.db2.gz IJIBDZPCMYHSBK-UHFFFAOYSA-N 0 0 330.388 3.245 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000042180478 453999424 /nfs/dbraw/zinc/99/94/24/453999424.db2.gz ONROVHSCTQOIRQ-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055737881 454010212 /nfs/dbraw/zinc/01/02/12/454010212.db2.gz BRJGDPZFFKQJFI-MRXNPFEDSA-N 0 0 346.770 3.431 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000087280398 454074283 /nfs/dbraw/zinc/07/42/83/454074283.db2.gz CJHQYPDOPXFZOX-SECBINFHSA-N 0 0 343.221 3.451 10 5 EGBERN C[C@@H](c1nccs1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590249 455409244 /nfs/dbraw/zinc/40/92/44/455409244.db2.gz VVBMOBKPWGVPJZ-KBPBESRZSA-N 0 0 346.456 3.491 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nccn1Cc1ccccc1)CC2 ZINC000088607120 454115122 /nfs/dbraw/zinc/11/51/22/454115122.db2.gz KXTVLRLKVYXICR-UHFFFAOYSA-N 0 0 348.406 3.398 10 5 EGBERN CC[C@@H](C)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000069613514 454124158 /nfs/dbraw/zinc/12/41/58/454124158.db2.gz YPQMLOOAOAOQRR-LLVKDONJSA-N 0 0 334.401 3.493 10 5 EGBERN CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000089305497 454134976 /nfs/dbraw/zinc/13/49/76/454134976.db2.gz SUCCLZALQQOMOY-HNNXBMFYSA-N 0 0 331.372 3.052 10 5 EGBERN CCCc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n(C)n1 ZINC000089393951 454143863 /nfs/dbraw/zinc/14/38/63/454143863.db2.gz GKFIATXIVINYEL-UHFFFAOYSA-N 0 0 327.344 3.014 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000130418896 454196784 /nfs/dbraw/zinc/19/67/84/454196784.db2.gz XGBSCFUTZHCNQN-LBPRGKRZSA-N 0 0 330.369 3.414 10 5 EGBERN CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000058544485 454213370 /nfs/dbraw/zinc/21/33/70/454213370.db2.gz KNOLMMVGRWMPGG-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1c1ccccc1Cl ZINC000078340357 454235690 /nfs/dbraw/zinc/23/56/90/454235690.db2.gz BIGFAYIAHCXZSH-CYBMUJFWSA-N 0 0 346.774 3.251 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ncccc1[N+](=O)[O-] ZINC000060823219 454315448 /nfs/dbraw/zinc/31/54/48/454315448.db2.gz GVYJFISJGKWDJP-LLVKDONJSA-N 0 0 339.417 3.481 10 5 EGBERN Cc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000078814886 454324158 /nfs/dbraw/zinc/32/41/58/454324158.db2.gz FWYWMTZUPNZFTI-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN CNc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000072705188 454331019 /nfs/dbraw/zinc/33/10/19/454331019.db2.gz GNMCFFOFUBFIGG-JTQLQIEISA-N 0 0 329.360 3.056 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090688097 454336739 /nfs/dbraw/zinc/33/67/39/454336739.db2.gz WBVDLIGBUHFDKD-HIFRSBDPSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000090687941 454337039 /nfs/dbraw/zinc/33/70/39/454337039.db2.gz SICOUFGRIAONJK-GJZGRUSLSA-N 0 0 349.412 3.140 10 5 EGBERN C[C@@H](Sc1nnnn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078952879 454343993 /nfs/dbraw/zinc/34/39/93/454343993.db2.gz CVHAVFRENXKOHV-GFCCVEGCSA-N 0 0 341.396 3.483 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000132561118 454348933 /nfs/dbraw/zinc/34/89/33/454348933.db2.gz QANDLESOOOEBPY-UHFFFAOYSA-N 0 0 347.440 3.464 10 5 EGBERN Cc1noc(C)c1[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000072842167 454350519 /nfs/dbraw/zinc/35/05/19/454350519.db2.gz RPUAAGLBTXYIJF-QMMMGPOBSA-N 0 0 328.328 3.172 10 5 EGBERN Cc1c(OCC(=O)N[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000047355669 454362835 /nfs/dbraw/zinc/36/28/35/454362835.db2.gz HXDSYXIRVCDIDZ-INIZCTEOSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1csc(COC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000097108935 454409268 /nfs/dbraw/zinc/40/92/68/454409268.db2.gz YBERGZCURKNTQD-UHFFFAOYSA-N 0 0 344.352 3.107 10 5 EGBERN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1)c1ccco1 ZINC000073394370 454432149 /nfs/dbraw/zinc/43/21/49/454432149.db2.gz WECXKISDIZFCHV-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3cccc(F)c3)nn21 ZINC000091454741 454436467 /nfs/dbraw/zinc/43/64/67/454436467.db2.gz XVNJSIBLPDGWDK-ZDUSSCGKSA-N 0 0 327.319 3.118 10 5 EGBERN Cc1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000091627873 454452271 /nfs/dbraw/zinc/45/22/71/454452271.db2.gz STFVFELAVVWPNM-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN C[C@@H](C(=O)Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612472208 460637434 /nfs/dbraw/zinc/63/74/34/460637434.db2.gz XBPOJJLLHRCEHO-SNVBAGLBSA-N 0 0 328.303 3.124 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000063982582 454462850 /nfs/dbraw/zinc/46/28/50/454462850.db2.gz YWTVMWNCRYFFFK-UHFFFAOYSA-N 0 0 344.758 3.118 10 5 EGBERN Cc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000133762955 454465401 /nfs/dbraw/zinc/46/54/01/454465401.db2.gz VPYQRQGBEILXJL-UHFFFAOYSA-N 0 0 340.383 3.172 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)s1 ZINC000064245114 454469393 /nfs/dbraw/zinc/46/93/93/454469393.db2.gz YIKVWNWBMLSGEP-UHFFFAOYSA-N 0 0 338.410 3.010 10 5 EGBERN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241193 454469485 /nfs/dbraw/zinc/46/94/85/454469485.db2.gz ZXVIUNPHHMTGSI-UHFFFAOYSA-N 0 0 340.426 3.256 10 5 EGBERN CN(C)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000079783976 454479004 /nfs/dbraw/zinc/47/90/04/454479004.db2.gz ORUOIIOZIDLJQF-UHFFFAOYSA-N 0 0 343.387 3.113 10 5 EGBERN COC(=O)[C@H](C)[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000079923341 454500437 /nfs/dbraw/zinc/50/04/37/454500437.db2.gz JPUYZKNFLMAPNY-ABAIWWIYSA-N 0 0 334.397 3.296 10 5 EGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000064819699 454508835 /nfs/dbraw/zinc/50/88/35/454508835.db2.gz XNLMZAFRFYDTMN-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN O=C(C[C@@H]1COCCN1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000134154961 454509526 /nfs/dbraw/zinc/50/95/26/454509526.db2.gz UYBNVZBRLWDPGG-OAHLLOKOSA-N 0 0 346.408 3.130 10 5 EGBERN CCC(C)(C)NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000122786870 454569085 /nfs/dbraw/zinc/56/90/85/454569085.db2.gz DCXRMWYZTFLXJR-UHFFFAOYSA-N 0 0 345.193 3.041 10 5 EGBERN Cc1sc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] ZINC000074351645 454569002 /nfs/dbraw/zinc/56/90/02/454569002.db2.gz URZNYDPTWKOHHK-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000074425842 454579058 /nfs/dbraw/zinc/57/90/58/454579058.db2.gz FIDGULUSSOIWAE-HNNXBMFYSA-N 0 0 331.372 3.011 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000092650271 454600505 /nfs/dbraw/zinc/60/05/05/454600505.db2.gz DECDTGPBNHQWHE-UHFFFAOYSA-N 0 0 345.330 3.395 10 5 EGBERN COC(=O)c1cc(N2CCS[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092670818 454606089 /nfs/dbraw/zinc/60/60/89/454606089.db2.gz ZESNSJCYHUVKDC-GJZGRUSLSA-N 0 0 336.413 3.246 10 5 EGBERN Cc1cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000074766401 454630939 /nfs/dbraw/zinc/63/09/39/454630939.db2.gz HZYPOTPWDGFRGD-WBMJQRKESA-N 0 0 331.347 3.404 10 5 EGBERN Cc1cc(NCCc2csc(N3CCCC3)n2)ncc1[N+](=O)[O-] ZINC000074766137 454631469 /nfs/dbraw/zinc/63/14/69/454631469.db2.gz PJNXOJFQNRJPMM-UHFFFAOYSA-N 0 0 333.417 3.010 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000080806358 454637101 /nfs/dbraw/zinc/63/71/01/454637101.db2.gz FXBQGHFUKPQTGQ-LLVKDONJSA-N 0 0 349.412 3.421 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC2CCCCC2)s1 ZINC000066000343 454648512 /nfs/dbraw/zinc/64/85/12/454648512.db2.gz CCEVNINMLSADNN-UHFFFAOYSA-N 0 0 332.447 3.295 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCCC2)s1 ZINC000066001099 454649224 /nfs/dbraw/zinc/64/92/24/454649224.db2.gz BACVDZAFFSRTMG-GFCCVEGCSA-N 0 0 344.458 3.390 10 5 EGBERN CNC(=O)c1cccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135241108 454651588 /nfs/dbraw/zinc/65/15/88/454651588.db2.gz HSGFGPIUFNWHMJ-UHFFFAOYSA-N 0 0 339.395 3.119 10 5 EGBERN CCc1nccn1[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897980 454665769 /nfs/dbraw/zinc/66/57/69/454665769.db2.gz DDKURIYSXKMMJR-ZDUSSCGKSA-N 0 0 332.379 3.330 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000135588203 454691676 /nfs/dbraw/zinc/69/16/76/454691676.db2.gz RZULJERMZAZYFD-UHFFFAOYSA-N 0 0 348.362 3.048 10 5 EGBERN Cc1sc(C(=O)NCCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000106659349 454710137 /nfs/dbraw/zinc/71/01/37/454710137.db2.gz QXEDPAGMIQQHTG-UHFFFAOYSA-N 0 0 342.323 3.052 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000136147375 454724267 /nfs/dbraw/zinc/72/42/67/454724267.db2.gz YOQZHDOVYFKCBW-GFCCVEGCSA-N 0 0 342.351 3.199 10 5 EGBERN COc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000106899570 454729394 /nfs/dbraw/zinc/72/93/94/454729394.db2.gz AJNAAVWWFHWIDR-OAHLLOKOSA-N 0 0 347.758 3.453 10 5 EGBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccccn1 ZINC000600942603 460653709 /nfs/dbraw/zinc/65/37/09/460653709.db2.gz FXDUWHZBZDYLAH-ZDUSSCGKSA-N 0 0 325.368 3.289 10 5 EGBERN Cc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000162435035 454774737 /nfs/dbraw/zinc/77/47/37/454774737.db2.gz FCHZPMKHCWHZLE-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162462133 454777024 /nfs/dbraw/zinc/77/70/24/454777024.db2.gz RXZNHCGBELQWSK-LLVKDONJSA-N 0 0 344.415 3.285 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000162527567 454780978 /nfs/dbraw/zinc/78/09/78/454780978.db2.gz CHFYJVKMJVPCQR-UHFFFAOYSA-N 0 0 336.363 3.013 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[S@](=O)c1ccc(F)c(F)c1 ZINC000108031671 454782267 /nfs/dbraw/zinc/78/22/67/454782267.db2.gz GQLFVXFWRINZDE-JOCHJYFZSA-N 0 0 327.308 3.189 10 5 EGBERN Cc1cccc2c1CC[C@H]2NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153327228 454783565 /nfs/dbraw/zinc/78/35/65/454783565.db2.gz UEZUFPKLHMGLKP-QGZVFWFLSA-N 0 0 346.408 3.010 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000153433683 454793750 /nfs/dbraw/zinc/79/37/50/454793750.db2.gz QXEDSSIBMHCJFI-CYBMUJFWSA-N 0 0 346.362 3.217 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000153473197 454797235 /nfs/dbraw/zinc/79/72/35/454797235.db2.gz BSRMRKRURQWPIA-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000153500180 454800148 /nfs/dbraw/zinc/80/01/48/454800148.db2.gz XAVJJYNCQISOKN-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125441829 454822138 /nfs/dbraw/zinc/82/21/38/454822138.db2.gz ABRSEISYAVIGQS-NWDGAFQWSA-N 0 0 326.418 3.379 10 5 EGBERN O=[N+]([O-])c1ccc(OCC2(O)CCOCC2)c(-c2cccs2)c1 ZINC000153707539 454822802 /nfs/dbraw/zinc/82/28/02/454822802.db2.gz NVXOBZLNQNTBHU-UHFFFAOYSA-N 0 0 335.381 3.244 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000141412377 454829772 /nfs/dbraw/zinc/82/97/72/454829772.db2.gz WJLLWLFDTFMMRK-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125784389 454846249 /nfs/dbraw/zinc/84/62/49/454846249.db2.gz QFHYSDADBXTQKV-WCQYABFASA-N 0 0 344.458 3.084 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000145759894 454855118 /nfs/dbraw/zinc/85/51/18/454855118.db2.gz HFFUDKZOTFOGIT-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000154005576 454855687 /nfs/dbraw/zinc/85/56/87/454855687.db2.gz CVPNQNXLMZOWOM-GFCCVEGCSA-N 0 0 325.777 3.283 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000111152688 454857487 /nfs/dbraw/zinc/85/74/87/454857487.db2.gz CERCSHJPTCMSHE-SGTLLEGYSA-N 0 0 325.368 3.056 10 5 EGBERN COC(=O)Cc1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177390217 454859034 /nfs/dbraw/zinc/85/90/34/454859034.db2.gz YTXQTTZDFUVDPN-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CCC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126088319 454869608 /nfs/dbraw/zinc/86/96/08/454869608.db2.gz ZKUMPKKGHCIXTE-LBPRGKRZSA-N 0 0 326.418 3.015 10 5 EGBERN NC(=O)c1ccc(NCc2cccc(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000164210831 454877215 /nfs/dbraw/zinc/87/72/15/454877215.db2.gz XIPWMTCQPUDORW-UHFFFAOYSA-N 0 0 348.362 3.368 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)c1[N+](=O)[O-] ZINC000112257974 454883671 /nfs/dbraw/zinc/88/36/71/454883671.db2.gz BXUCQKPWFCXRQY-HNNXBMFYSA-N 0 0 344.415 3.414 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000151428928 454983987 /nfs/dbraw/zinc/98/39/87/454983987.db2.gz XYNNKCFSWAFZGW-UHFFFAOYSA-N 0 0 325.368 3.051 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(C4CC4)CC3)o2)c1 ZINC000127924738 455009894 /nfs/dbraw/zinc/00/98/94/455009894.db2.gz KEMPYYRQIPXGQZ-UHFFFAOYSA-N 0 0 327.384 3.135 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171006960 455014193 /nfs/dbraw/zinc/01/41/93/455014193.db2.gz ALUCFFQIMGMRKJ-SMDDNHRTSA-N 0 0 332.381 3.259 10 5 EGBERN CC(C)Oc1ccc(F)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171050460 455021288 /nfs/dbraw/zinc/02/12/88/455021288.db2.gz JSVHRUFQLGYZOD-UHFFFAOYSA-N 0 0 347.346 3.232 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128101413 455025484 /nfs/dbraw/zinc/02/54/84/455025484.db2.gz IZFFKAJHMYRCBT-BDJLRTHQSA-N 0 0 338.791 3.015 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171167248 455039787 /nfs/dbraw/zinc/03/97/87/455039787.db2.gz DPEJAPUTZZDXAY-LBPRGKRZSA-N 0 0 331.347 3.164 10 5 EGBERN Cc1csc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n1 ZINC000171216973 455046654 /nfs/dbraw/zinc/04/66/54/455046654.db2.gz MJPARLHAPCRMMY-VIFPVBQESA-N 0 0 332.385 3.418 10 5 EGBERN CCCC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000155912225 455061672 /nfs/dbraw/zinc/06/16/72/455061672.db2.gz CRFKQKDFPAYYNQ-MRXNPFEDSA-N 0 0 340.445 3.373 10 5 EGBERN CCc1nc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000171656626 455083150 /nfs/dbraw/zinc/08/31/50/455083150.db2.gz NSYCWOBSSBQFHC-SNVBAGLBSA-N 0 0 334.401 3.174 10 5 EGBERN O=[N+]([O-])c1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000118429476 455105626 /nfs/dbraw/zinc/10/56/26/455105626.db2.gz DOPFANUPBFALEA-UHFFFAOYSA-N 0 0 325.900 3.028 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCCc1nc(C(C)C)no1 ZINC000156810153 455151672 /nfs/dbraw/zinc/15/16/72/455151672.db2.gz WQJYVQSEUIRHSI-UHFFFAOYSA-N 0 0 334.376 3.292 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000156824077 455151831 /nfs/dbraw/zinc/15/18/31/455151831.db2.gz DDRQYLJJDIPIBF-KRWDZBQOSA-N 0 0 335.404 3.079 10 5 EGBERN O=C(CN1CC2(CC2)c2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172641109 455166506 /nfs/dbraw/zinc/16/65/06/455166506.db2.gz JEHBMRNYJRYYSX-UHFFFAOYSA-N 0 0 349.390 3.036 10 5 EGBERN CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180652245 455218453 /nfs/dbraw/zinc/21/84/53/455218453.db2.gz CFSPBNYSNDIPIF-ZBFHGGJFSA-N 0 0 343.431 3.365 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000265539146 455340525 /nfs/dbraw/zinc/34/05/25/455340525.db2.gz DBMHTTIRVABIKV-LLVKDONJSA-N 0 0 345.355 3.348 10 5 EGBERN Cc1cn2cc(CC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000601002982 460671335 /nfs/dbraw/zinc/67/13/35/460671335.db2.gz FKPCIWQRWWOMER-LLVKDONJSA-N 0 0 344.396 3.032 10 5 EGBERN CC[C@@H](NCc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181761880 455380299 /nfs/dbraw/zinc/38/02/99/455380299.db2.gz ALSLGGLOVRXBKD-OAHLLOKOSA-N 0 0 329.404 3.232 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000191453056 455486447 /nfs/dbraw/zinc/48/64/47/455486447.db2.gz KISAXCZSLXHNHG-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN CCc1cnccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185084300 455499184 /nfs/dbraw/zinc/49/91/84/455499184.db2.gz SWVUPKCYEGULIQ-UHFFFAOYSA-N 0 0 325.368 3.357 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CSc2ccc(C)cc2)n1 ZINC000191714002 455511956 /nfs/dbraw/zinc/51/19/56/455511956.db2.gz BWHGTBMUBSNMOZ-GFCCVEGCSA-N 0 0 348.428 3.030 10 5 EGBERN CCNc1ccc(Cl)cc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191887044 455528726 /nfs/dbraw/zinc/52/87/26/455528726.db2.gz GJRILWHGRIHVSH-UHFFFAOYSA-N 0 0 337.767 3.149 10 5 EGBERN COC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000185493741 455566673 /nfs/dbraw/zinc/56/66/73/455566673.db2.gz XHTPTJNRWWMOKH-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268233071 455627019 /nfs/dbraw/zinc/62/70/19/455627019.db2.gz FWWMKJWQUZLDIG-YVEFUNNKSA-N 0 0 328.372 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(Nc2cccnn2)CC1 ZINC000277687180 455635138 /nfs/dbraw/zinc/63/51/38/455635138.db2.gz BPALURHWRLDURS-UHFFFAOYSA-N 0 0 347.806 3.428 10 5 EGBERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000277863298 455689919 /nfs/dbraw/zinc/68/99/19/455689919.db2.gz ODPZWCQBZGMISJ-GXSJLCMTSA-N 0 0 331.376 3.026 10 5 EGBERN C[C@H]1C[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192868512 455708494 /nfs/dbraw/zinc/70/84/94/455708494.db2.gz BWTZXKJROHOIPJ-LRDDRELGSA-N 0 0 326.352 3.312 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000192909518 455716004 /nfs/dbraw/zinc/71/60/04/455716004.db2.gz QGKVRKDOAZHLHX-ZDUSSCGKSA-N 0 0 339.351 3.276 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1csc(C(F)(F)F)n1 ZINC000192962477 455726486 /nfs/dbraw/zinc/72/64/86/455726486.db2.gz TXVGSIUXYGPCOK-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1F ZINC000284916369 455760800 /nfs/dbraw/zinc/76/08/00/455760800.db2.gz NAFLVAZQAODNIA-HNNXBMFYSA-N 0 0 346.362 3.143 10 5 EGBERN O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2cc(C(F)(F)F)ccc12 ZINC000193923861 455787420 /nfs/dbraw/zinc/78/74/20/455787420.db2.gz JNUNFXOZMXSKDF-UHFFFAOYSA-N 0 0 349.268 3.441 10 5 EGBERN NC(=O)c1ccc(CSC[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000601058839 460692207 /nfs/dbraw/zinc/69/22/07/460692207.db2.gz CCSKBWAIZKABEN-SECBINFHSA-N 0 0 330.356 3.362 10 5 EGBERN COc1cc(N[C@@H]2CCOC3(CCSCC3)C2)ccc1[N+](=O)[O-] ZINC000269352686 455841835 /nfs/dbraw/zinc/84/18/35/455841835.db2.gz SJRNCLASNPEJFL-CYBMUJFWSA-N 0 0 338.429 3.460 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000186851733 455844453 /nfs/dbraw/zinc/84/44/53/455844453.db2.gz ZPLCXTQAYPNXSC-MRXNPFEDSA-N 0 0 349.431 3.174 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187439703 455909718 /nfs/dbraw/zinc/90/97/18/455909718.db2.gz YODYEUFIOVLNFU-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN CN(C)C(=O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000272553002 455991596 /nfs/dbraw/zinc/99/15/96/455991596.db2.gz RIHVHPKMPUCFBN-UHFFFAOYSA-N 0 0 346.214 3.206 10 5 EGBERN CC(C)(NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000188185429 456017257 /nfs/dbraw/zinc/01/72/57/456017257.db2.gz MCMSIHYFIXOWRP-CQSZACIVSA-N 0 0 335.404 3.087 10 5 EGBERN COc1ccc(CNC(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000296711408 456017434 /nfs/dbraw/zinc/01/74/34/456017434.db2.gz AZXREXDJSPLPMS-UHFFFAOYSA-N 0 0 342.355 3.198 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CCn3cnc4ccccc43)no2)cc1 ZINC000222907219 456051710 /nfs/dbraw/zinc/05/17/10/456051710.db2.gz DPSGBNFPEVQCLT-UHFFFAOYSA-N 0 0 335.323 3.237 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]1c1ccccc1 ZINC000601105633 460712633 /nfs/dbraw/zinc/71/26/33/460712633.db2.gz JWBHVJPGLUIKOK-JTQLQIEISA-N 0 0 326.278 3.299 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000301257732 456073842 /nfs/dbraw/zinc/07/38/42/456073842.db2.gz FBNQXLORLNRLQQ-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCC[C@H]1CO ZINC000225271029 456077328 /nfs/dbraw/zinc/07/73/28/456077328.db2.gz KHEVDZJKPKGVBV-GXSJLCMTSA-N 0 0 329.194 3.320 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000297008289 456089926 /nfs/dbraw/zinc/08/99/26/456089926.db2.gz SCMBGWRNAFVSLR-JQWIXIFHSA-N 0 0 330.306 3.327 10 5 EGBERN CCC[C@H]1C[C@@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301426512 456113036 /nfs/dbraw/zinc/11/30/36/456113036.db2.gz GZOAIHOSRBHQJW-GWCFXTLKSA-N 0 0 348.790 3.395 10 5 EGBERN Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000301438473 456116528 /nfs/dbraw/zinc/11/65/28/456116528.db2.gz SSNHTAKYICVASX-LLVKDONJSA-N 0 0 335.795 3.063 10 5 EGBERN Cc1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1O ZINC000188703812 456117802 /nfs/dbraw/zinc/11/78/02/456117802.db2.gz NBNDUUONQKPXAL-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(NC2CCCC2)c1 ZINC000301470903 456123469 /nfs/dbraw/zinc/12/34/69/456123469.db2.gz JGGDWCRMYDYGSP-UHFFFAOYSA-N 0 0 341.371 3.187 10 5 EGBERN Cc1ccnc(OC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000273028666 456150110 /nfs/dbraw/zinc/15/01/10/456150110.db2.gz UCSGVBQLBGGIAK-UHFFFAOYSA-N 0 0 333.413 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)c(F)c1 ZINC000301611632 456161031 /nfs/dbraw/zinc/16/10/31/456161031.db2.gz DXTBAXRGUMNHMI-JTQLQIEISA-N 0 0 336.754 3.473 10 5 EGBERN CO[C@@H](C)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000289870456 456162094 /nfs/dbraw/zinc/16/20/94/456162094.db2.gz DFPAGVYSKDOHDE-SFYZADRCSA-N 0 0 335.282 3.159 10 5 EGBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301789683 456215536 /nfs/dbraw/zinc/21/55/36/456215536.db2.gz QUIYLQNBWDBLAQ-DZGCQCFKSA-N 0 0 347.415 3.200 10 5 EGBERN C[C@@H](NC(=O)c1snnc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000189168288 456245415 /nfs/dbraw/zinc/24/54/15/456245415.db2.gz AUHKPIAJUHUJTD-SECBINFHSA-N 0 0 334.401 3.235 10 5 EGBERN CCOCc1nc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000290166683 456257790 /nfs/dbraw/zinc/25/77/90/456257790.db2.gz MHAWWNRJEHXPMI-NEPJUHHUSA-N 0 0 334.376 3.235 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[C@@H]3Cc3ccccc3)nn21 ZINC000301961854 456259425 /nfs/dbraw/zinc/25/94/25/456259425.db2.gz IGPYJPWHCGNIDC-CABCVRRESA-N 0 0 337.383 3.461 10 5 EGBERN CN(CCc1cccc2ccccc21)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302017778 456269850 /nfs/dbraw/zinc/26/98/50/456269850.db2.gz ZGXSKXZGEUXWGK-UHFFFAOYSA-N 0 0 347.378 3.470 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000302041611 456274161 /nfs/dbraw/zinc/27/41/61/456274161.db2.gz NUXXSACDVZZGPD-HNNXBMFYSA-N 0 0 340.738 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccco2)s1 ZINC000342867358 456283579 /nfs/dbraw/zinc/28/35/79/456283579.db2.gz BQPNYARYTUIMFG-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Br)cc1Cl ZINC000340153671 456284522 /nfs/dbraw/zinc/28/45/22/456284522.db2.gz ATCOFFXWQHQNHK-UHFFFAOYSA-N 0 0 342.580 3.440 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1scnc1C1CC1 ZINC000342869941 456284720 /nfs/dbraw/zinc/28/47/20/456284720.db2.gz AEJBYTUSNZSRBR-UHFFFAOYSA-N 0 0 333.369 3.336 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](c1cccnc1)C1CC1 ZINC000601134441 460725432 /nfs/dbraw/zinc/72/54/32/460725432.db2.gz CRVPVFFXGXJOGZ-SNVBAGLBSA-N 0 0 341.293 3.305 10 5 EGBERN CCS[C@@H]1CCCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000302119122 456292310 /nfs/dbraw/zinc/29/23/10/456292310.db2.gz XHCWFNMGEVDPBT-CYBMUJFWSA-N 0 0 338.429 3.493 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(NC(C)=O)cc2)c1 ZINC000302120265 456292871 /nfs/dbraw/zinc/29/28/71/456292871.db2.gz XTPTZMUBUVQOGR-UHFFFAOYSA-N 0 0 329.312 3.083 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000302125784 456293694 /nfs/dbraw/zinc/29/36/94/456293694.db2.gz FNGPHFDXNWVOOX-MRXNPFEDSA-N 0 0 339.395 3.257 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000302147175 456299095 /nfs/dbraw/zinc/29/90/95/456299095.db2.gz JWNKIZAQMZDYDE-OAHLLOKOSA-N 0 0 331.372 3.304 10 5 EGBERN Cc1noc(C)c1[C@H](C)CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601135633 460726179 /nfs/dbraw/zinc/72/61/79/460726179.db2.gz WVZUEHHRHDRMKR-ZCFIWIBFSA-N 0 0 347.297 3.168 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302164185 456305188 /nfs/dbraw/zinc/30/51/88/456305188.db2.gz ITAZTDRAXMILJH-UHFFFAOYSA-N 0 0 332.335 3.378 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCCc3cccc4[nH]ccc43)c21 ZINC000336907126 456315821 /nfs/dbraw/zinc/31/58/21/456315821.db2.gz FQKVBYGUMBDDAN-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342948365 456332769 /nfs/dbraw/zinc/33/27/69/456332769.db2.gz VYOAZXZGXLYYQC-UHFFFAOYSA-N 0 0 327.262 3.148 10 5 EGBERN Cc1cn2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2n1 ZINC000347729365 456334415 /nfs/dbraw/zinc/33/44/15/456334415.db2.gz JAUUOSRNNMHRPP-NSHDSACASA-N 0 0 342.330 3.432 10 5 EGBERN Cc1cccc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000302507764 456350215 /nfs/dbraw/zinc/35/02/15/456350215.db2.gz RIPSKNQSTSNBLK-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2cc(F)c(F)cc21 ZINC000340271904 456353697 /nfs/dbraw/zinc/35/36/97/456353697.db2.gz LWHTUZLBQKAEKY-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN COc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337530515 456359082 /nfs/dbraw/zinc/35/90/82/456359082.db2.gz CYLKNKNBMYGESY-UHFFFAOYSA-N 0 0 348.359 3.019 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000302614764 456365251 /nfs/dbraw/zinc/36/52/51/456365251.db2.gz CESLFNZRRKELJE-UHFFFAOYSA-N 0 0 335.360 3.431 10 5 EGBERN CO[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000276045934 456377732 /nfs/dbraw/zinc/37/77/32/456377732.db2.gz RFAWIWRPVJPJJT-ZANVPECISA-N 0 0 346.305 3.111 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000298162864 456378902 /nfs/dbraw/zinc/37/89/02/456378902.db2.gz DQZJHMGWSXZKGP-ZFWWWQNUSA-N 0 0 342.399 3.323 10 5 EGBERN Cc1cc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000302720596 456383007 /nfs/dbraw/zinc/38/30/07/456383007.db2.gz LCIALNQKGMBDTN-MRXNPFEDSA-N 0 0 343.358 3.255 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C2CC2)cc1 ZINC000302729747 456385456 /nfs/dbraw/zinc/38/54/56/456385456.db2.gz REMZECOUFLLWKH-UHFFFAOYSA-N 0 0 325.368 3.444 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnc3onc(C)c3c2)cc1[N+](=O)[O-] ZINC000337587998 456403570 /nfs/dbraw/zinc/40/35/70/456403570.db2.gz UPGVLDFKGQHEFX-UHFFFAOYSA-N 0 0 342.311 3.090 10 5 EGBERN C[C@@](CO)(NCc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149309 460732558 /nfs/dbraw/zinc/73/25/58/460732558.db2.gz KUPKVYMMCLGNJP-INIZCTEOSA-N 0 0 338.766 3.385 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347878366 456422499 /nfs/dbraw/zinc/42/24/99/456422499.db2.gz PVTCKUAGMVABAL-WCBMZHEXSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cn([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc1[N+](=O)[O-] ZINC000282145561 456424417 /nfs/dbraw/zinc/42/44/17/456424417.db2.gz BIQVEBIVSWEQEW-RYUDHWBXSA-N 0 0 342.355 3.284 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1csc(-c3ccco3)n1)CC2 ZINC000353042967 456457667 /nfs/dbraw/zinc/45/76/67/456457667.db2.gz QLLOIXBBXGKMFT-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000348122988 456499508 /nfs/dbraw/zinc/49/95/08/456499508.db2.gz QBQUCKYQBGMEEX-KBPBESRZSA-N 0 0 326.352 3.279 10 5 EGBERN CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444587 456516694 /nfs/dbraw/zinc/51/66/94/456516694.db2.gz NHLQBKXGXKLGCM-WFASDCNBSA-N 0 0 344.415 3.455 10 5 EGBERN CCN(CC(=O)N1CCCCCC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353179364 456542526 /nfs/dbraw/zinc/54/25/26/456542526.db2.gz ZUZCOPHLDJPAKU-OAHLLOKOSA-N 0 0 333.432 3.380 10 5 EGBERN COC(=O)c1cc(N2CCC(F)(F)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000291185133 456557322 /nfs/dbraw/zinc/55/73/22/456557322.db2.gz SFYBABDLBOKFRP-JTQLQIEISA-N 0 0 328.315 3.171 10 5 EGBERN CC(C)c1nc(CNc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000340606531 456566873 /nfs/dbraw/zinc/56/68/73/456566873.db2.gz FVVWJMYXGDYFFI-UHFFFAOYSA-N 0 0 341.165 3.476 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250602 456570245 /nfs/dbraw/zinc/57/02/45/456570245.db2.gz UFDPOLKTATUVRG-RNCFNFMXSA-N 0 0 346.305 3.234 10 5 EGBERN CO[C@@H]1CCCC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000340611829 456571035 /nfs/dbraw/zinc/57/10/35/456571035.db2.gz DDLIRAXBZBJGSN-IUODEOHRSA-N 0 0 346.387 3.305 10 5 EGBERN Cc1cccc(C(=O)N2CCC=C(Br)C2)c1[N+](=O)[O-] ZINC000282687595 456592143 /nfs/dbraw/zinc/59/21/43/456592143.db2.gz LOUCZULDFGOXKG-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN O=C(NC1(CCOCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000340690422 456627392 /nfs/dbraw/zinc/62/73/92/456627392.db2.gz ZFZMBUCEYOSBEC-UHFFFAOYSA-N 0 0 340.379 3.464 10 5 EGBERN CC(C)OCCS(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000340724797 456649626 /nfs/dbraw/zinc/64/96/26/456649626.db2.gz BTUPGBKVXRKWHZ-UHFFFAOYSA-N 0 0 344.433 3.059 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000338009982 456654829 /nfs/dbraw/zinc/65/48/29/456654829.db2.gz HBJATJNEEFEUQX-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000291477862 456655949 /nfs/dbraw/zinc/65/59/49/456655949.db2.gz RIBZJNNENQFHAY-CYBMUJFWSA-N 0 0 345.321 3.122 10 5 EGBERN Cc1nc([C@H](C)OC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])no1 ZINC000277045481 456662429 /nfs/dbraw/zinc/66/24/29/456662429.db2.gz HKFGMXXPFKZILX-ZETCQYMHSA-N 0 0 325.708 3.166 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1Cc2ccccc2[C@H]1C ZINC000340826730 456704793 /nfs/dbraw/zinc/70/47/93/456704793.db2.gz OZFXIGFKWWSKFS-GFCCVEGCSA-N 0 0 341.367 3.390 10 5 EGBERN CCC1(NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CCC1 ZINC000277220625 456730447 /nfs/dbraw/zinc/73/04/47/456730447.db2.gz NDTSTNFQNYQWPV-UHFFFAOYSA-N 0 0 335.360 3.144 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000340868392 456730842 /nfs/dbraw/zinc/73/08/42/456730842.db2.gz LVHCISYWYKTJNC-CQSZACIVSA-N 0 0 345.403 3.248 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343601293 456734936 /nfs/dbraw/zinc/73/49/36/456734936.db2.gz FONMCAFBMICTEV-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000291726119 456735683 /nfs/dbraw/zinc/73/56/83/456735683.db2.gz XFAJXKVQXPUJRF-ZBINZKHDSA-N 0 0 339.342 3.343 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H](c1cncc(Br)c1)C1CC1 ZINC000340913622 456756994 /nfs/dbraw/zinc/75/69/94/456756994.db2.gz NGJKWUBINJRSRT-AWEZNQCLSA-N 0 0 349.188 3.132 10 5 EGBERN CN(Cc1cscn1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348571920 456772046 /nfs/dbraw/zinc/77/20/46/456772046.db2.gz DFXVFVKBPOBLNL-UHFFFAOYSA-N 0 0 345.302 3.342 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CCCC2)no1 ZINC000338351980 456781976 /nfs/dbraw/zinc/78/19/76/456781976.db2.gz SNYOAGRHALAPMZ-UHFFFAOYSA-N 0 0 330.388 3.310 10 5 EGBERN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)c2cccc(Cl)c21 ZINC000301075750 456791814 /nfs/dbraw/zinc/79/18/14/456791814.db2.gz DGXADFZDWYQQGG-UHFFFAOYSA-N 0 0 346.774 3.171 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000338489108 456832246 /nfs/dbraw/zinc/83/22/46/456832246.db2.gz IKUCOKKFLASWTD-GFCCVEGCSA-N 0 0 349.437 3.342 10 5 EGBERN CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341305123 456837629 /nfs/dbraw/zinc/83/76/29/456837629.db2.gz QIHBMGZPFWICBT-JTQLQIEISA-N 0 0 345.330 3.183 10 5 EGBERN CC1([C@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)OCCO1 ZINC000292080945 456850142 /nfs/dbraw/zinc/85/01/42/456850142.db2.gz XYCDBCFGRZHTOG-ZDUSSCGKSA-N 0 0 343.383 3.122 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000344799058 456859691 /nfs/dbraw/zinc/85/96/91/456859691.db2.gz YVYZCNNCRZTBMI-OQLLNIDSSA-N 0 0 349.394 3.369 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)[C@@H](C)O1 ZINC000353718067 456870080 /nfs/dbraw/zinc/87/00/80/456870080.db2.gz HQPVZAXVTMHGNZ-KXUCPTDWSA-N 0 0 346.305 3.252 10 5 EGBERN CS[C@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341727959 456918287 /nfs/dbraw/zinc/91/82/87/456918287.db2.gz PLJJUZJCSNCTLB-SSDOTTSWSA-N 0 0 333.207 3.437 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000341782673 456943002 /nfs/dbraw/zinc/94/30/02/456943002.db2.gz IYXZKSNYIWQHCR-UHFFFAOYSA-N 0 0 336.388 3.026 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000349643196 457003810 /nfs/dbraw/zinc/00/38/10/457003810.db2.gz HWAUUMKOFQYXHG-UHFFFAOYSA-N 0 0 344.392 3.285 10 5 EGBERN COc1cc(CN2CC(F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000346322834 457032872 /nfs/dbraw/zinc/03/28/72/457032872.db2.gz TZFHGUNFDMHIJD-UHFFFAOYSA-N 0 0 346.358 3.336 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)c3c(F)cccc3F)no2)n1 ZINC000346576741 457054615 /nfs/dbraw/zinc/05/46/15/457054615.db2.gz BWBRFDGTCNARFA-MRVPVSSYSA-N 0 0 349.297 3.291 10 5 EGBERN Cc1cc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)on1 ZINC000356577052 457064773 /nfs/dbraw/zinc/06/47/73/457064773.db2.gz LWWZQEZKOFUBDG-UHFFFAOYSA-N 0 0 331.353 3.078 10 5 EGBERN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330839623 457093105 /nfs/dbraw/zinc/09/31/05/457093105.db2.gz VQUJZCWPOCXPSF-GXSJLCMTSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1c(CNC(=O)N2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000359543683 457094107 /nfs/dbraw/zinc/09/41/07/457094107.db2.gz NKWRJNRBCNJTMI-GOSISDBHSA-N 0 0 347.415 3.005 10 5 EGBERN CCn1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2cccnc21 ZINC000349901284 457099837 /nfs/dbraw/zinc/09/98/37/457099837.db2.gz ANTFVYIOHWYDMW-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN Cc1noc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1C ZINC000359668006 457107036 /nfs/dbraw/zinc/10/70/36/457107036.db2.gz BYZCBBUPXYSOLQ-UHFFFAOYSA-N 0 0 327.243 3.053 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc[nH]1 ZINC000342129386 457124916 /nfs/dbraw/zinc/12/49/16/457124916.db2.gz DEJCIYDCDPINTN-UHFFFAOYSA-N 0 0 333.413 3.396 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COc2cccnc2)cc1[N+](=O)[O-] ZINC000356728914 457137725 /nfs/dbraw/zinc/13/77/25/457137725.db2.gz FCNIDKKPOYHUOW-UHFFFAOYSA-N 0 0 329.356 3.305 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3c[nH]nn3)c2)cc1[N+](=O)[O-] ZINC000346883065 457187790 /nfs/dbraw/zinc/18/77/90/457187790.db2.gz WCDGZUIFGZODAW-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)n1 ZINC000360090088 457250605 /nfs/dbraw/zinc/25/06/05/457250605.db2.gz YBTKDSXVJHWLOM-JKSUJKDBSA-N 0 0 335.367 3.452 10 5 EGBERN CC(C)c1ccc(-c2nc(COC[C@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000351438502 457288387 /nfs/dbraw/zinc/28/83/87/457288387.db2.gz JSDZVPFMUPOUPG-LBPRGKRZSA-N 0 0 347.371 3.321 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000360257627 457298615 /nfs/dbraw/zinc/29/86/15/457298615.db2.gz LOBVZSUILWUBGG-MFKMUULPSA-N 0 0 326.418 3.021 10 5 EGBERN CCS[C@H]1CCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340025888 457322076 /nfs/dbraw/zinc/32/20/76/457322076.db2.gz VUGPMEJLBDSUFG-NEPJUHHUSA-N 0 0 339.417 3.171 10 5 EGBERN CCc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)co1 ZINC000347283169 457330254 /nfs/dbraw/zinc/33/02/54/457330254.db2.gz PASADCTWDHXJIK-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN CCS[C@@H]1CCC[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342525041 457349899 /nfs/dbraw/zinc/34/98/99/457349899.db2.gz WJVINQADALDCOA-ZIAGYGMSSA-N 0 0 344.383 3.206 10 5 EGBERN Cc1ccc([C@@H]2CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])cc1C ZINC000357188817 457365754 /nfs/dbraw/zinc/36/57/54/457365754.db2.gz OXONWYDSFOHZRQ-HNNXBMFYSA-N 0 0 340.383 3.047 10 5 EGBERN Cn1cc([C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000352437117 457366245 /nfs/dbraw/zinc/36/62/45/457366245.db2.gz CXABBRWEFROYOX-QGZVFWFLSA-N 0 0 344.415 3.165 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000355636679 457396091 /nfs/dbraw/zinc/39/60/91/457396091.db2.gz LEUCWWJUZVRFAD-LBPRGKRZSA-N 0 0 332.381 3.007 10 5 EGBERN Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975190 457423630 /nfs/dbraw/zinc/42/36/30/457423630.db2.gz GYIKEXKZJVIZNE-MPGHIAIKSA-N 0 0 334.416 3.062 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425085597 457434348 /nfs/dbraw/zinc/43/43/48/457434348.db2.gz RRJSEZMYJBKTQW-UHFFFAOYSA-N 0 0 338.232 3.341 10 5 EGBERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000369889850 457446840 /nfs/dbraw/zinc/44/68/40/457446840.db2.gz URGAVWNTSRPDRJ-NSHDSACASA-N 0 0 328.372 3.185 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@H](F)Cc3ccccc3)n2)nc1 ZINC000357329550 457450521 /nfs/dbraw/zinc/45/05/21/457450521.db2.gz CYCGFJVDOVDCLM-CQSZACIVSA-N 0 0 328.303 3.217 10 5 EGBERN COCc1cnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000342682285 457452961 /nfs/dbraw/zinc/45/29/61/457452961.db2.gz XFLLEKVZBDBEMQ-UHFFFAOYSA-N 0 0 333.413 3.362 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374114146 457481434 /nfs/dbraw/zinc/48/14/34/457481434.db2.gz NLLHCKDCWRCJFE-SHTZXODSSA-N 0 0 340.379 3.344 10 5 EGBERN CSCCCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000357395741 457493249 /nfs/dbraw/zinc/49/32/49/457493249.db2.gz YMIGIASIJYZXLX-UHFFFAOYSA-N 0 0 332.385 3.346 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000357400517 457496482 /nfs/dbraw/zinc/49/64/82/457496482.db2.gz MXMAQYJMCPTKMJ-ZWNOBZJWSA-N 0 0 330.306 3.327 10 5 EGBERN C[C@H](SCc1nnn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000357400705 457497906 /nfs/dbraw/zinc/49/79/06/457497906.db2.gz NRWMCZPNXGABQG-QMMMGPOBSA-N 0 0 347.322 3.138 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000357405253 457500818 /nfs/dbraw/zinc/50/08/18/457500818.db2.gz XVOVXPMIABCIAE-GHMZBOCLSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000347608815 457547046 /nfs/dbraw/zinc/54/70/46/457547046.db2.gz KZTTUJLUWUEMFG-BPLDGKMQSA-N 0 0 336.436 3.067 10 5 EGBERN CC[C@@H]1CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000347618588 457553560 /nfs/dbraw/zinc/55/35/60/457553560.db2.gz WWTVQIIXULNOLG-LLVKDONJSA-N 0 0 345.321 3.427 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000342863213 457563557 /nfs/dbraw/zinc/56/35/57/457563557.db2.gz WMCDUTUGTFORHG-CVEARBPZSA-N 0 0 325.368 3.287 10 5 EGBERN Cc1ccc(CNc2ccncc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000361073055 457565122 /nfs/dbraw/zinc/56/51/22/457565122.db2.gz IEPVKDHGUZKKFY-UHFFFAOYSA-N 0 0 341.289 3.273 10 5 EGBERN CNc1c(C(=O)N[C@H](C)c2cc(C)ccc2OC)cccc1[N+](=O)[O-] ZINC000361123250 457596595 /nfs/dbraw/zinc/59/65/95/457596595.db2.gz NQCRPFWYERJXGA-GFCCVEGCSA-N 0 0 343.383 3.445 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425616634 457613752 /nfs/dbraw/zinc/61/37/52/457613752.db2.gz IQAIRQKCYNLTLL-AEFFLSMTSA-N 0 0 343.358 3.374 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000370323376 457619047 /nfs/dbraw/zinc/61/90/47/457619047.db2.gz GNDBXOPLUUNKAF-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN COc1ccc(NC(=O)c2ccoc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000361328324 457694796 /nfs/dbraw/zinc/69/47/96/457694796.db2.gz KITSTHJFABRVMU-UHFFFAOYSA-N 0 0 330.218 3.468 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCOCC1 ZINC000370664352 457694882 /nfs/dbraw/zinc/69/48/82/457694882.db2.gz FLMLZHADLTXSDR-NSHDSACASA-N 0 0 326.780 3.023 10 5 EGBERN C[C@@H]1N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000374973543 457743218 /nfs/dbraw/zinc/74/32/18/457743218.db2.gz REBJHCYFEBFTHC-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000457574905 457750442 /nfs/dbraw/zinc/75/04/42/457750442.db2.gz KFJFJOHNFXDWDI-LLVKDONJSA-N 0 0 347.337 3.410 10 5 EGBERN Nc1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000375036265 457765868 /nfs/dbraw/zinc/76/58/68/457765868.db2.gz ICUMRSQLHUHREJ-UHFFFAOYSA-N 0 0 331.347 3.364 10 5 EGBERN CC(C)(C(=O)NCCC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000433269113 457795353 /nfs/dbraw/zinc/79/53/53/457795353.db2.gz HEAOBCNETFQWCC-RHSMWYFYSA-N 0 0 348.443 3.320 10 5 EGBERN CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443794502 457812935 /nfs/dbraw/zinc/81/29/35/457812935.db2.gz XVDGVBMTWOHQIB-BBRMVZONSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158186 457815091 /nfs/dbraw/zinc/81/50/91/457815091.db2.gz IDPDPHQDWBYNJJ-HNNXBMFYSA-N 0 0 349.362 3.130 10 5 EGBERN C[C@@H]1CCCCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000358204335 457857179 /nfs/dbraw/zinc/85/71/79/457857179.db2.gz AAXPDHHIXURSCK-CYBMUJFWSA-N 0 0 342.399 3.328 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000361788197 457860889 /nfs/dbraw/zinc/86/08/89/457860889.db2.gz LXBQCIWTQFPJBL-YOEHRIQHSA-N 0 0 341.367 3.494 10 5 EGBERN COC(=O)[C@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000433798596 457888172 /nfs/dbraw/zinc/88/81/72/457888172.db2.gz JDRKTMZPEKLAPR-CQSZACIVSA-N 0 0 347.346 3.114 10 5 EGBERN COc1cccc(C(=O)N2CC=C(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000444347900 457889272 /nfs/dbraw/zinc/88/92/72/457889272.db2.gz ZGVXPPXBHPBMKG-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN Cn1c(SCc2ncccn2)nc2cc3ccccc3cc2c1=O ZINC000358339268 457943957 /nfs/dbraw/zinc/94/39/57/457943957.db2.gz NGKFUSZVWWLKDH-UHFFFAOYSA-N 0 0 334.404 3.169 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000444712913 457952267 /nfs/dbraw/zinc/95/22/67/457952267.db2.gz ZWPZPXADMYBJSA-VIFPVBQESA-N 0 0 328.294 3.245 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2F)CC(C)C)n1 ZINC000427181901 457954592 /nfs/dbraw/zinc/95/45/92/457954592.db2.gz KIMQLPYEXJTWTL-UHFFFAOYSA-N 0 0 348.378 3.249 10 5 EGBERN CCc1cnc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000361929953 457962428 /nfs/dbraw/zinc/96/24/28/457962428.db2.gz MOZYULHAQVNMMB-UHFFFAOYSA-N 0 0 345.380 3.332 10 5 EGBERN CSC[C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005833 458004388 /nfs/dbraw/zinc/00/43/88/458004388.db2.gz AMQGUTHEXNCRNC-NSHDSACASA-N 0 0 326.421 3.163 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000362023218 458010498 /nfs/dbraw/zinc/01/04/98/458010498.db2.gz GSQQGDGMFVLTBO-CABZTGNLSA-N 0 0 346.305 3.406 10 5 EGBERN CCCc1cc(=NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[nH][nH]1 ZINC000445192446 458024606 /nfs/dbraw/zinc/02/46/06/458024606.db2.gz YKVGSFSTUGRKTO-UHFFFAOYSA-N 0 0 346.390 3.031 10 5 EGBERN COc1ccc(CSCc2cnc(OC)nc2C)cc1[N+](=O)[O-] ZINC000358482798 458027176 /nfs/dbraw/zinc/02/71/76/458027176.db2.gz LBIWHPJPHJGGJK-UHFFFAOYSA-N 0 0 335.385 3.144 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1C[C@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000458510230 458075232 /nfs/dbraw/zinc/07/52/32/458075232.db2.gz PHNANXONSSTAOD-JYJNAYRXSA-N 0 0 347.415 3.303 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428105341 458080984 /nfs/dbraw/zinc/08/09/84/458080984.db2.gz DODMQJVCZBSDIW-FRQROOTJSA-N 0 0 343.427 3.359 10 5 EGBERN COC1CCC(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428135393 458084466 /nfs/dbraw/zinc/08/44/66/458084466.db2.gz FKZBXPMAYMXCBD-VEAWUBTESA-N 0 0 335.404 3.160 10 5 EGBERN Cc1c(NC(=O)NCC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435329095 458116149 /nfs/dbraw/zinc/11/61/49/458116149.db2.gz NYVRLUCMCGIQNS-UHFFFAOYSA-N 0 0 330.182 3.443 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCn2c(cc3ccccc32)C1 ZINC000362387694 458144376 /nfs/dbraw/zinc/14/43/76/458144376.db2.gz YWPFMVIWIBXSDU-UHFFFAOYSA-N 0 0 335.363 3.134 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-] ZINC000412279417 458152943 /nfs/dbraw/zinc/15/29/43/458152943.db2.gz YLJWPXZJWQPYKB-CYBMUJFWSA-N 0 0 336.388 3.069 10 5 EGBERN Cc1csc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000435615001 458173006 /nfs/dbraw/zinc/17/30/06/458173006.db2.gz GDFYPBPCYWXLDQ-NSHDSACASA-N 0 0 331.397 3.270 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000362475459 458203804 /nfs/dbraw/zinc/20/38/04/458203804.db2.gz ADFHEXPFTZQURN-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)c1C ZINC000436187920 458266175 /nfs/dbraw/zinc/26/61/75/458266175.db2.gz ZQVVSISJDNBHML-ZYHUDNBSSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000447170311 458269976 /nfs/dbraw/zinc/26/99/76/458269976.db2.gz ZHMUNYCTXDNLMZ-NSHDSACASA-N 0 0 346.836 3.223 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CC12CCOCC2 ZINC000436339581 458292192 /nfs/dbraw/zinc/29/21/92/458292192.db2.gz SYSDVWWMIXBMRN-VIFPVBQESA-N 0 0 331.294 3.237 10 5 EGBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1-n1cccn1 ZINC000447675659 458327754 /nfs/dbraw/zinc/32/77/54/458327754.db2.gz OBGBDDYGUBOCDE-GFCCVEGCSA-N 0 0 348.366 3.252 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cscn1 ZINC000447810056 458345470 /nfs/dbraw/zinc/34/54/70/458345470.db2.gz FZRQTCCQFSCBJB-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN CC(=O)c1ccc(N[C@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000376924948 458422656 /nfs/dbraw/zinc/42/26/56/458422656.db2.gz AWIQYWFZTYQOAX-INIZCTEOSA-N 0 0 337.339 3.117 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000373202941 458428828 /nfs/dbraw/zinc/42/88/28/458428828.db2.gz NCDUSFSIAUUOIW-BEFAXECRSA-N 0 0 342.395 3.471 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000373279932 458450832 /nfs/dbraw/zinc/45/08/32/458450832.db2.gz VFOUHCUNDUVFQE-UHFFFAOYSA-N 0 0 348.790 3.082 10 5 EGBERN CC(C)c1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709318 458512382 /nfs/dbraw/zinc/51/23/82/458512382.db2.gz YEFBKIPGNRWEOU-GOSISDBHSA-N 0 0 334.416 3.100 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000460628353 458528268 /nfs/dbraw/zinc/52/82/68/458528268.db2.gz IQGMLJTTXISZCR-GDBMZVCRSA-N 0 0 341.415 3.498 10 5 EGBERN Cc1c(NC(=O)[C@]2(C)CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000431143365 458535188 /nfs/dbraw/zinc/53/51/88/458535188.db2.gz ZXQIYEFJKVTNJI-CYBMUJFWSA-N 0 0 343.177 3.031 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@]2(C1)CCCOC2 ZINC000377876974 458560204 /nfs/dbraw/zinc/56/02/04/458560204.db2.gz ABIZWIYIJLXKOQ-HNNXBMFYSA-N 0 0 339.779 3.283 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000431466511 458576707 /nfs/dbraw/zinc/57/67/07/458576707.db2.gz VINRAXRCIBUZQQ-MORSLUCNSA-N 0 0 339.395 3.173 10 5 EGBERN CCN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000461888429 458576916 /nfs/dbraw/zinc/57/69/16/458576916.db2.gz YTKGFOYFRHZBFV-INIZCTEOSA-N 0 0 340.379 3.441 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438456737 458580402 /nfs/dbraw/zinc/58/04/02/458580402.db2.gz DGWGEXZEEFRNMJ-GHMZBOCLSA-N 0 0 345.321 3.397 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431500991 458581572 /nfs/dbraw/zinc/58/15/72/458581572.db2.gz CCZMTTAZAMJRTM-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462192812 458602365 /nfs/dbraw/zinc/60/23/65/458602365.db2.gz PYTPDCMKZBAZIJ-UHFFFAOYSA-N 0 0 348.424 3.239 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456386328 458658709 /nfs/dbraw/zinc/65/87/09/458658709.db2.gz RPVKFFUTPURDKE-ZDUSSCGKSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000456413639 458670020 /nfs/dbraw/zinc/67/00/20/458670020.db2.gz ICKDLNSYKKEKEP-MWLCHTKSSA-N 0 0 334.763 3.189 10 5 EGBERN CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1cccnc1C ZINC000439234948 458672808 /nfs/dbraw/zinc/67/28/08/458672808.db2.gz JREZMERVERHOLW-UHFFFAOYSA-N 0 0 331.397 3.443 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439307325 458687912 /nfs/dbraw/zinc/68/79/12/458687912.db2.gz XHSUCLOCCXZEBJ-UONOGXRCSA-N 0 0 333.388 3.184 10 5 EGBERN O=[N+]([O-])c1cccc2c(NCCCc3nnc4ccccn43)ccnc21 ZINC000432325826 458714812 /nfs/dbraw/zinc/71/48/12/458714812.db2.gz MPSDFFVHOOPSIT-UHFFFAOYSA-N 0 0 348.366 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000494670116 458726325 /nfs/dbraw/zinc/72/63/25/458726325.db2.gz DTXXCNAYTCZDKO-ZDUSSCGKSA-N 0 0 328.368 3.312 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530431568 458766346 /nfs/dbraw/zinc/76/63/46/458766346.db2.gz VMCROSRZGOXXKE-VXNVDRBHSA-N 0 0 342.277 3.021 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000456796355 458784477 /nfs/dbraw/zinc/78/44/77/458784477.db2.gz HIGHXIMDWURHLB-NWDGAFQWSA-N 0 0 336.388 3.263 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000518513468 458873336 /nfs/dbraw/zinc/87/33/36/458873336.db2.gz XMYCXEVTWXCGEL-SCRDCRAPSA-N 0 0 327.384 3.171 10 5 EGBERN Cc1cc(C)cc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000556037986 458923682 /nfs/dbraw/zinc/92/36/82/458923682.db2.gz HXRSGRVQPHLORF-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(OCC2CCCCC2)CC1 ZINC000531628277 458948775 /nfs/dbraw/zinc/94/87/75/458948775.db2.gz SENYWLXVDUSPQF-UHFFFAOYSA-N 0 0 347.415 3.191 10 5 EGBERN COc1ccc(OCc2cc3ccccc3n(C)c2=O)c([N+](=O)[O-])c1 ZINC000519862123 459017514 /nfs/dbraw/zinc/01/75/14/459017514.db2.gz SGFWIWLOHWSGIA-UHFFFAOYSA-N 0 0 340.335 3.034 10 5 EGBERN C[C@H](C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566951501 459024844 /nfs/dbraw/zinc/02/48/44/459024844.db2.gz WKCAWPGDYKXDPN-LRDDRELGSA-N 0 0 344.415 3.335 10 5 EGBERN COc1cc(N[C@@H](c2ccccc2F)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000577402308 459028638 /nfs/dbraw/zinc/02/86/38/459028638.db2.gz XVFGUHQMMYLIAD-JDNHERCYSA-N 0 0 338.310 3.416 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000532143168 459036452 /nfs/dbraw/zinc/03/64/52/459036452.db2.gz JKYIMPSQSFWMLQ-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN COc1ccc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143480 459036625 /nfs/dbraw/zinc/03/66/25/459036625.db2.gz QZUCATBBDRQVAV-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CCC1(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000477355397 459041607 /nfs/dbraw/zinc/04/16/07/459041607.db2.gz QBXRQNPIZMFLKG-SNVBAGLBSA-N 0 0 326.780 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594520364 459076973 /nfs/dbraw/zinc/07/69/73/459076973.db2.gz NOSFQQGZLSRCRI-WCQYABFASA-N 0 0 336.285 3.324 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000557509738 459079626 /nfs/dbraw/zinc/07/96/26/459079626.db2.gz AWBJDPYCTLYHLU-NSHDSACASA-N 0 0 347.346 3.421 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000567306035 459082413 /nfs/dbraw/zinc/08/24/13/459082413.db2.gz IULFWLNHOOTYPQ-CJNGLKHVSA-N 0 0 325.368 3.196 10 5 EGBERN COc1c(C)ncnc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000594584949 459097986 /nfs/dbraw/zinc/09/79/86/459097986.db2.gz GBIAODQXUMPBMU-CQSZACIVSA-N 0 0 328.372 3.086 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594588947 459099388 /nfs/dbraw/zinc/09/93/88/459099388.db2.gz ALSZECWGNGZWNT-CVEARBPZSA-N 0 0 334.372 3.141 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC2(CC(F)C2)C1 ZINC000590313735 459114079 /nfs/dbraw/zinc/11/40/79/459114079.db2.gz JZFVOVBHGPTPBR-UHFFFAOYSA-N 0 0 332.253 3.188 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590393372 459122381 /nfs/dbraw/zinc/12/23/81/459122381.db2.gz PLCKFJCJGQMYRQ-UHFFFAOYSA-N 0 0 346.387 3.133 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590402449 459124829 /nfs/dbraw/zinc/12/48/29/459124829.db2.gz UHPUNVABJWICHO-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN CC[C@H](NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000590442229 459130460 /nfs/dbraw/zinc/13/04/60/459130460.db2.gz OSQFUOFLBZKXLY-UVBJJODRSA-N 0 0 342.399 3.251 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590440637 459130549 /nfs/dbraw/zinc/13/05/49/459130549.db2.gz UXWCKXMNCLMXNQ-UHFFFAOYSA-N 0 0 336.269 3.194 10 5 EGBERN CC[C@H](NC(=O)c1nc2cnccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000590444011 459132402 /nfs/dbraw/zinc/13/24/02/459132402.db2.gz WYXHWVLOEHOUEL-LBPRGKRZSA-N 0 0 342.380 3.481 10 5 EGBERN COC(=O)c1c(Cl)c(NCc2ccc(C)nc2)ccc1[N+](=O)[O-] ZINC000590574115 459152667 /nfs/dbraw/zinc/15/26/67/459152667.db2.gz BRCGOURICJVHJK-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000479624925 459153871 /nfs/dbraw/zinc/15/38/71/459153871.db2.gz SIGJAJLXNCNGRV-HAQNSBGRSA-N 0 0 336.388 3.311 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c2c1 ZINC000590712687 459191450 /nfs/dbraw/zinc/19/14/50/459191450.db2.gz CXRDHLYBHIMFAF-KBRIMQKVSA-N 0 0 342.399 3.058 10 5 EGBERN COCC1(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000522006468 459203001 /nfs/dbraw/zinc/20/30/01/459203001.db2.gz YXUDAQXMQDSMOB-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CCOCC2)n1 ZINC000594979929 459204102 /nfs/dbraw/zinc/20/41/02/459204102.db2.gz MRYMFILFSJYXFI-KAMYIIQDSA-N 0 0 342.399 3.080 10 5 EGBERN C[C@H](C(=O)N1CCC2(CCC(O)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590767147 459209737 /nfs/dbraw/zinc/20/97/37/459209737.db2.gz RVFWWNNUNBWFNB-AWEZNQCLSA-N 0 0 346.427 3.242 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000590768077 459210036 /nfs/dbraw/zinc/21/00/36/459210036.db2.gz KJBIWYGDVNMFRZ-GOEBONIOSA-N 0 0 325.368 3.304 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC(OC(F)F)CC1 ZINC000590796759 459223918 /nfs/dbraw/zinc/22/39/18/459223918.db2.gz FKDWMHPADGCLNO-UHFFFAOYSA-N 0 0 329.303 3.267 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000590828687 459236266 /nfs/dbraw/zinc/23/62/66/459236266.db2.gz IWVYVDVMSMGUED-GXTWGEPZSA-N 0 0 325.315 3.412 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOCC12CCCCC2 ZINC000590880264 459255677 /nfs/dbraw/zinc/25/56/77/459255677.db2.gz CHGCWWDSDABUKJ-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN CC1(C2(NC(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000590884392 459258048 /nfs/dbraw/zinc/25/80/48/459258048.db2.gz CVDBGTSMXXRUCD-UHFFFAOYSA-N 0 0 339.189 3.420 10 5 EGBERN Cc1noc(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328775 459278358 /nfs/dbraw/zinc/27/83/58/459278358.db2.gz ZFQMMBSZHQUTRK-XJKSGUPXSA-N 0 0 345.399 3.470 10 5 EGBERN Cn1ccnc1[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000560007747 459291274 /nfs/dbraw/zinc/29/12/74/459291274.db2.gz WXACLZJANNSADI-MRXNPFEDSA-N 0 0 348.366 3.406 10 5 EGBERN COc1cccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1Cl ZINC000595421668 459295988 /nfs/dbraw/zinc/29/59/88/459295988.db2.gz AFHWGNJJBVSMLL-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000595516884 459331389 /nfs/dbraw/zinc/33/13/89/459331389.db2.gz CDAFGCHVKDZJED-YOEHRIQHSA-N 0 0 349.431 3.174 10 5 EGBERN CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000595576542 459353381 /nfs/dbraw/zinc/35/33/81/459353381.db2.gz ZRDSWQCQLOJBJB-UHFFFAOYSA-N 0 0 347.337 3.415 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCSCc2cn(CC3CC3)nn2)cc1 ZINC000591380730 459366649 /nfs/dbraw/zinc/36/66/49/459366649.db2.gz JVZJYQRLIFCTDR-UHFFFAOYSA-N 0 0 348.428 3.299 10 5 EGBERN Cc1ccc(NC(=O)NC[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000483612603 459377420 /nfs/dbraw/zinc/37/74/20/459377420.db2.gz HKFCBFKYRNHGGM-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN CNc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524694938 459380900 /nfs/dbraw/zinc/38/09/00/459380900.db2.gz JFXPIODZYDCUAD-GTNSWQLSSA-N 0 0 325.368 3.300 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]2c2ccc(F)cc2)c1 ZINC000595704882 459405933 /nfs/dbraw/zinc/40/59/33/459405933.db2.gz RNGFDWFOBKRINV-INIZCTEOSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000582678695 459409443 /nfs/dbraw/zinc/40/94/43/459409443.db2.gz JYMBSTWFZAXJHG-AWEZNQCLSA-N 0 0 349.431 3.349 10 5 EGBERN CC[C@@H](O)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000525123234 459417829 /nfs/dbraw/zinc/41/78/29/459417829.db2.gz UZQSAIZGEUNQIV-MRXNPFEDSA-N 0 0 330.384 3.381 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCOc2ccccc2F)c1 ZINC000541115869 459427932 /nfs/dbraw/zinc/42/79/32/459427932.db2.gz RGXVVIZHGYFZEA-UHFFFAOYSA-N 0 0 348.330 3.036 10 5 EGBERN CCN(CCc1nccs1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569419738 459447202 /nfs/dbraw/zinc/44/72/02/459447202.db2.gz MFBIVXQEYWIFSD-LBPRGKRZSA-N 0 0 333.413 3.246 10 5 EGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](CC(F)(F)F)O1 ZINC000595890857 459476302 /nfs/dbraw/zinc/47/63/02/459476302.db2.gz NFWLVJBVMFDMBA-JOYOIKCWSA-N 0 0 336.285 3.276 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000485902208 459476995 /nfs/dbraw/zinc/47/69/95/459476995.db2.gz AWCAMVRNCVMERJ-VQIMIIECSA-N 0 0 340.379 3.372 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000541718331 459481974 /nfs/dbraw/zinc/48/19/74/459481974.db2.gz IFBOTYCRIPDVJK-GOSISDBHSA-N 0 0 334.416 3.255 10 5 EGBERN CC[C@H]1[C@H](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569657939 459486271 /nfs/dbraw/zinc/48/62/71/459486271.db2.gz RCEQKJNUPSMSJC-PXAZEXFGSA-N 0 0 344.415 3.449 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC(c2ccccc2)C1 ZINC000486198396 459492669 /nfs/dbraw/zinc/49/26/69/459492669.db2.gz YLIVFQXBUCBILX-UHFFFAOYSA-N 0 0 346.333 3.478 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000591973216 459501741 /nfs/dbraw/zinc/50/17/41/459501741.db2.gz VNBRAANQPVWTRM-UHFFFAOYSA-N 0 0 336.388 3.145 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1SC ZINC000591990193 459506308 /nfs/dbraw/zinc/50/63/08/459506308.db2.gz GTXLBNDNJYOJKX-XPKDYRNWSA-N 0 0 333.413 3.464 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000541937042 459513171 /nfs/dbraw/zinc/51/31/71/459513171.db2.gz FVZZSEDALXKMAO-KZULUSFZSA-N 0 0 346.383 3.018 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596092928 459517604 /nfs/dbraw/zinc/51/76/04/459517604.db2.gz YBKDJTJUFNWMQW-SECBINFHSA-N 0 0 328.752 3.016 10 5 EGBERN COc1cc(NC[C@H](C)C(=O)OC(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596138684 459533806 /nfs/dbraw/zinc/53/38/06/459533806.db2.gz BUOMMASGHDFKGF-VIFPVBQESA-N 0 0 330.768 3.256 10 5 EGBERN COCCC(C)(C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596154215 459539589 /nfs/dbraw/zinc/53/95/89/459539589.db2.gz ZACFCJDYLSDSJL-UHFFFAOYSA-N 0 0 330.768 3.262 10 5 EGBERN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542252116 459539903 /nfs/dbraw/zinc/53/99/03/459539903.db2.gz BGCWIUAXSXBEQY-AWEZNQCLSA-N 0 0 336.388 3.083 10 5 EGBERN COCC[C@H](Cc1ccco1)Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000542261867 459540943 /nfs/dbraw/zinc/54/09/43/459540943.db2.gz WFXKMSOVIOWFCP-LLVKDONJSA-N 0 0 338.335 3.395 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000596163777 459544182 /nfs/dbraw/zinc/54/41/82/459544182.db2.gz BPKHJWUYMBCJHO-VIFPVBQESA-N 0 0 344.820 3.367 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596168971 459545395 /nfs/dbraw/zinc/54/53/95/459545395.db2.gz UTSVLCINGZCXMI-GDZNZVCISA-N 0 0 343.383 3.077 10 5 EGBERN Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596178115 459549714 /nfs/dbraw/zinc/54/97/14/459549714.db2.gz FVWFWDFFCPRXRS-LLVKDONJSA-N 0 0 333.417 3.275 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000596190229 459555128 /nfs/dbraw/zinc/55/51/28/459555128.db2.gz PDQDUOPTEZELQF-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN COc1cc(N2CCC[C@H](OC(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596190165 459555301 /nfs/dbraw/zinc/55/53/01/459555301.db2.gz OXDUCWSXDPBKMF-QMMMGPOBSA-N 0 0 336.722 3.465 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596203445 459559400 /nfs/dbraw/zinc/55/94/00/459559400.db2.gz NJVHSOGFRYPZDS-IVZWLZJFSA-N 0 0 342.779 3.037 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596203443 459559930 /nfs/dbraw/zinc/55/99/30/459559930.db2.gz NJVHSOGFRYPZDS-AEJSXWLSSA-N 0 0 342.779 3.037 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000542546517 459570636 /nfs/dbraw/zinc/57/06/36/459570636.db2.gz XWEUSCSFEIIKDE-UHFFFAOYSA-N 0 0 347.378 3.005 10 5 EGBERN Cc1cc(N2CCC(n3cc(N(C)C)cn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596243191 459573556 /nfs/dbraw/zinc/57/35/56/459573556.db2.gz BUAAKMFPQGIXDQ-UHFFFAOYSA-N 0 0 347.394 3.146 10 5 EGBERN COC(=O)c1c(Cl)c(NCCC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596260374 459578131 /nfs/dbraw/zinc/57/81/31/459578131.db2.gz FCCXEQBPMQOIJX-SNVBAGLBSA-N 0 0 342.779 3.263 10 5 EGBERN COc1cc(N[C@H]([C@@H](CO)C2CC2)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596262960 459579271 /nfs/dbraw/zinc/57/92/71/459579271.db2.gz KNCOLNMXMSGOAQ-ZBEGNZNMSA-N 0 0 340.807 3.466 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000596298415 459587843 /nfs/dbraw/zinc/58/78/43/459587843.db2.gz WVLICPCWVWGSAS-JTQLQIEISA-N 0 0 349.774 3.473 10 5 EGBERN CCn1c(CSc2ccccc2[N+](=O)[O-])nnc1N(C)C1CC1 ZINC000592411703 459596629 /nfs/dbraw/zinc/59/66/29/459596629.db2.gz VHANDPNYKGUBKY-UHFFFAOYSA-N 0 0 333.417 3.097 10 5 EGBERN C/C(=C\c1nc(COC[C@H]2CCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592418615 459597458 /nfs/dbraw/zinc/59/74/58/459597458.db2.gz ZPESPMRWNGHKBW-RPHSKFLZSA-N 0 0 345.355 3.091 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@](C)(C2CC2)C1 ZINC000596337535 459600508 /nfs/dbraw/zinc/60/05/08/459600508.db2.gz BBDYYTILBYCUHX-SFHVURJKSA-N 0 0 343.383 3.157 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000596444068 459638957 /nfs/dbraw/zinc/63/89/57/459638957.db2.gz PEVAWXZHESNJJT-JTQLQIEISA-N 0 0 339.277 3.140 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCCO[C@H]1CC1(F)F ZINC000596448244 459639479 /nfs/dbraw/zinc/63/94/79/459639479.db2.gz PRZDOBCUMKJAFJ-JTQLQIEISA-N 0 0 337.120 3.193 10 5 EGBERN C[C@@H](C(=O)N1CCOC[C@@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000584075680 459647342 /nfs/dbraw/zinc/64/73/42/459647342.db2.gz RCOQSPCVXJJJCS-DYVFJYSZSA-N 0 0 332.400 3.116 10 5 EGBERN O=C(c1cc(N2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596479869 459651549 /nfs/dbraw/zinc/65/15/49/459651549.db2.gz VDTJNOVFIWYBOK-CQSZACIVSA-N 0 0 349.406 3.407 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000596487627 459654581 /nfs/dbraw/zinc/65/45/81/459654581.db2.gz ICQJWMBKMQYZIZ-NHYWBVRUSA-N 0 0 336.342 3.430 10 5 EGBERN CC1(C)[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1(F)F ZINC000596513011 459662340 /nfs/dbraw/zinc/66/23/40/459662340.db2.gz OVOOTGPANCQHJJ-LBPRGKRZSA-N 0 0 325.315 3.183 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(F)c2)CCC1 ZINC000592677122 459663503 /nfs/dbraw/zinc/66/35/03/459663503.db2.gz TYHSIHITBQNXFW-UHFFFAOYSA-N 0 0 329.331 3.247 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000596518247 459663988 /nfs/dbraw/zinc/66/39/88/459663988.db2.gz TTZLEVVGVDVRSX-INIZCTEOSA-N 0 0 326.400 3.322 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596524500 459665691 /nfs/dbraw/zinc/66/56/91/459665691.db2.gz CANYWKWFTIDVTE-ZDUSSCGKSA-N 0 0 333.388 3.183 10 5 EGBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592690573 459667626 /nfs/dbraw/zinc/66/76/26/459667626.db2.gz TXERIFHZJYABGU-GFCCVEGCSA-N 0 0 348.355 3.049 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000596557738 459675747 /nfs/dbraw/zinc/67/57/47/459675747.db2.gz KBCUNOWDKASZLS-KOLCDFICSA-N 0 0 334.294 3.150 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000596557529 459676107 /nfs/dbraw/zinc/67/61/07/459676107.db2.gz IVFUUCJAERXSDM-GFCCVEGCSA-N 0 0 341.289 3.301 10 5 EGBERN Cc1cc(N2CCO[C@](C)(C(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596571450 459681561 /nfs/dbraw/zinc/68/15/61/459681561.db2.gz FBTDUVLOIUEJGE-INIZCTEOSA-N 0 0 337.326 3.312 10 5 EGBERN CC(C)Oc1nc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572359 459682115 /nfs/dbraw/zinc/68/21/15/459682115.db2.gz MAHDBUBCZRKLBK-BMIGLBTASA-N 0 0 345.346 3.026 10 5 EGBERN CC(C)(CC(F)(F)F)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000596579689 459684477 /nfs/dbraw/zinc/68/44/77/459684477.db2.gz KEWCJNNEHKHWGW-UHFFFAOYSA-N 0 0 330.266 3.457 10 5 EGBERN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592825935 459699270 /nfs/dbraw/zinc/69/92/70/459699270.db2.gz LTFCPXXJENFVGU-NSHDSACASA-N 0 0 329.347 3.194 10 5 EGBERN CC1(CC(F)F)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000592834832 459701825 /nfs/dbraw/zinc/70/18/25/459701825.db2.gz JBVDGYJSPWOKHT-UHFFFAOYSA-N 0 0 339.342 3.286 10 5 EGBERN C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1n1ccnc1 ZINC000563037605 459702131 /nfs/dbraw/zinc/70/21/31/459702131.db2.gz AVVKYFIMBCYLNZ-CXAGYDPISA-N 0 0 341.415 3.153 10 5 EGBERN COCC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000596625216 459703267 /nfs/dbraw/zinc/70/32/67/459703267.db2.gz PWJQTRQXXMYSCK-UHFFFAOYSA-N 0 0 337.376 3.074 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CCF)C1 ZINC000596625255 459703594 /nfs/dbraw/zinc/70/35/94/459703594.db2.gz RDZQKUBEXDKNDU-NSHDSACASA-N 0 0 325.340 3.207 10 5 EGBERN CCn1nc(C)cc1-c1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1 ZINC000596644838 459711541 /nfs/dbraw/zinc/71/15/41/459711541.db2.gz RKZZQVGBDUIMMH-UHFFFAOYSA-N 0 0 327.344 3.312 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]c(C(C)C)c1C ZINC000592950329 459723024 /nfs/dbraw/zinc/72/30/24/459723024.db2.gz SMFJLSLMRBHOPO-AWEZNQCLSA-N 0 0 344.415 3.379 10 5 EGBERN C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC=CCC1 ZINC000544114220 459728515 /nfs/dbraw/zinc/72/85/15/459728515.db2.gz GOVWDKFKRBKRDY-CYBMUJFWSA-N 0 0 328.372 3.433 10 5 EGBERN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421008 459735588 /nfs/dbraw/zinc/73/55/88/459735588.db2.gz ZJSQLRYKVLYSNE-DOMZBBRYSA-N 0 0 341.415 3.251 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000593023898 459743686 /nfs/dbraw/zinc/74/36/86/459743686.db2.gz GFAQFVFIVCLFFO-GFCCVEGCSA-N 0 0 346.387 3.010 10 5 EGBERN CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cn1 ZINC000544280445 459745018 /nfs/dbraw/zinc/74/50/18/459745018.db2.gz OZGWJWFDPFXOQR-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(C1)Oc1ccccc1O2 ZINC000584476098 459748862 /nfs/dbraw/zinc/74/88/62/459748862.db2.gz OAQGABPHNQVFSD-FNORWQNLSA-N 0 0 338.363 3.481 10 5 EGBERN CSc1cccnc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593071958 459764169 /nfs/dbraw/zinc/76/41/69/459764169.db2.gz YELUBGMBYDLUCY-UHFFFAOYSA-N 0 0 345.424 3.464 10 5 EGBERN CC(C)(NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC000596882480 459786603 /nfs/dbraw/zinc/78/66/03/459786603.db2.gz BONHDPIINCRZJW-LBPRGKRZSA-N 0 0 341.358 3.420 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000596890588 459788485 /nfs/dbraw/zinc/78/84/85/459788485.db2.gz NIWKVSKIJWLTID-LBPRGKRZSA-N 0 0 343.330 3.406 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000596888910 459788504 /nfs/dbraw/zinc/78/85/04/459788504.db2.gz CGHFMIXPTVXJNQ-WCQYABFASA-N 0 0 337.376 3.073 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC3(COC3)C2)cc1[N+](=O)[O-] ZINC000596898962 459789750 /nfs/dbraw/zinc/78/97/50/459789750.db2.gz AYSRPLOSUJNMQJ-UHFFFAOYSA-N 0 0 333.388 3.147 10 5 EGBERN C[C@@H](O)[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899565 459790478 /nfs/dbraw/zinc/79/04/78/459790478.db2.gz MDWRURSORXEXRT-BXUZGUMPSA-N 0 0 335.404 3.269 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cnccc1C ZINC000596912973 459794631 /nfs/dbraw/zinc/79/46/31/459794631.db2.gz PZESOCPSFJRDIY-UHFFFAOYSA-N 0 0 328.372 3.225 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593177391 459798298 /nfs/dbraw/zinc/79/82/98/459798298.db2.gz CGEYZVHJSVDXSS-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc([N+](=O)[O-])c1 ZINC000593216077 459809861 /nfs/dbraw/zinc/80/98/61/459809861.db2.gz SSEOKUZGUKPHEZ-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000593221091 459811774 /nfs/dbraw/zinc/81/17/74/459811774.db2.gz DPXCYCNXKUWTBV-IUODEOHRSA-N 0 0 348.399 3.238 10 5 EGBERN CC(C)n1cnc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000593232701 459815340 /nfs/dbraw/zinc/81/53/40/459815340.db2.gz QAZJPTKIWNOVTH-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN CC[C@H](OCCNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593253650 459821219 /nfs/dbraw/zinc/82/12/19/459821219.db2.gz VUBCXXJYFMNJJB-KRWDZBQOSA-N 0 0 328.368 3.493 10 5 EGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593284190 459829292 /nfs/dbraw/zinc/82/92/92/459829292.db2.gz SUOWXQRHHHAPKP-JQWIXIFHSA-N 0 0 326.780 3.196 10 5 EGBERN Nc1c(NC(=O)N2CCCC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090981 459835424 /nfs/dbraw/zinc/83/54/24/459835424.db2.gz SORODZNDYUGRDS-UHFFFAOYSA-N 0 0 334.710 3.093 10 5 EGBERN CO[C@@H](C)CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC000597101592 459837611 /nfs/dbraw/zinc/83/76/11/459837611.db2.gz JPFSYPFOKFQABL-VIFPVBQESA-N 0 0 344.799 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000593316282 459838776 /nfs/dbraw/zinc/83/87/76/459838776.db2.gz OMNSYJBKZZZTCY-ZDUSSCGKSA-N 0 0 349.337 3.323 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000593316280 459838864 /nfs/dbraw/zinc/83/88/64/459838864.db2.gz OMNSYJBKZZZTCY-CYBMUJFWSA-N 0 0 349.337 3.323 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C(C)(C)[C@H]2C)n1 ZINC000598275841 459846437 /nfs/dbraw/zinc/84/64/37/459846437.db2.gz QGULNYUDRJQAGN-LLVKDONJSA-N 0 0 328.372 3.138 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593352688 459858558 /nfs/dbraw/zinc/85/85/58/459858558.db2.gz HHBZBXWOKNREIX-XJKSGUPXSA-N 0 0 338.354 3.421 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593352684 459858607 /nfs/dbraw/zinc/85/86/07/459858607.db2.gz HHBZBXWOKNREIX-CJNGLKHVSA-N 0 0 338.354 3.421 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598309332 459859157 /nfs/dbraw/zinc/85/91/57/459859157.db2.gz ONJSXYSMBGDOAE-RHSMWYFYSA-N 0 0 332.400 3.325 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000593361521 459863877 /nfs/dbraw/zinc/86/38/77/459863877.db2.gz LOHGLIOEWTXEFX-ZDUSSCGKSA-N 0 0 336.388 3.096 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769529 459867733 /nfs/dbraw/zinc/86/77/33/459867733.db2.gz HYGLGEXZGPBRSW-ZDUSSCGKSA-N 0 0 333.338 3.333 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598348046 459874227 /nfs/dbraw/zinc/87/42/27/459874227.db2.gz IGJFQEJKDTVHTO-RBUKOAKNSA-N 0 0 342.395 3.012 10 5 EGBERN C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211783 459878691 /nfs/dbraw/zinc/87/86/91/459878691.db2.gz OVZNYAPBSHZHLQ-KBXCAEBGSA-N 0 0 328.368 3.323 10 5 EGBERN Cc1cc(OCC(=O)N[C@H](C)C2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000598363210 459879090 /nfs/dbraw/zinc/87/90/90/459879090.db2.gz AKLXGVJFIAQUIP-IYXRBSQSSA-N 0 0 338.379 3.315 10 5 EGBERN CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000598382324 459884263 /nfs/dbraw/zinc/88/42/63/459884263.db2.gz YQHNSOPECHUWPD-SFHVURJKSA-N 0 0 345.443 3.362 10 5 EGBERN CCC(CC)CCCN(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000598397974 459888523 /nfs/dbraw/zinc/88/85/23/459888523.db2.gz XWELAHXCWUYLLM-UHFFFAOYSA-N 0 0 338.452 3.473 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](C2CCC2)C1 ZINC000598401566 459891102 /nfs/dbraw/zinc/89/11/02/459891102.db2.gz VXZAAVXBHJDPBP-CYBMUJFWSA-N 0 0 346.383 3.018 10 5 EGBERN CCOc1ccc([C@H](C)Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000587079504 459891537 /nfs/dbraw/zinc/89/15/37/459891537.db2.gz XFGWLZIZMQUMDH-NSHDSACASA-N 0 0 345.355 3.348 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000597241369 459892497 /nfs/dbraw/zinc/89/24/97/459892497.db2.gz DQAGIIZZUFWQQL-SMDDNHRTSA-N 0 0 332.322 3.445 10 5 EGBERN CC(C)Oc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587396966 459892594 /nfs/dbraw/zinc/89/25/94/459892594.db2.gz FFYNQPBBSFIKQW-UHFFFAOYSA-N 0 0 331.372 3.069 10 5 EGBERN COc1ccc([C@@H](C)CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587984792 459898180 /nfs/dbraw/zinc/89/81/80/459898180.db2.gz XYMBXZMIGUSKON-LBPRGKRZSA-N 0 0 345.399 3.284 10 5 EGBERN Cc1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000597257393 459898736 /nfs/dbraw/zinc/89/87/36/459898736.db2.gz FLYWNZKPYSCRPS-UHFFFAOYSA-N 0 0 328.416 3.221 10 5 EGBERN C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587989918 459898961 /nfs/dbraw/zinc/89/89/61/459898961.db2.gz HEIVUYYGAGMZFO-HIFRSBDPSA-N 0 0 341.411 3.127 10 5 EGBERN Cc1nn(CCC(=O)NC[C@H](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598439859 459899777 /nfs/dbraw/zinc/89/97/77/459899777.db2.gz YNCHEFYQEQWVBI-LBPRGKRZSA-N 0 0 336.436 3.131 10 5 EGBERN CC1=CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264889 459900337 /nfs/dbraw/zinc/90/03/37/459900337.db2.gz NQWOUIAIDDOFGP-KBXCAEBGSA-N 0 0 344.415 3.139 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000598454707 459902559 /nfs/dbraw/zinc/90/25/59/459902559.db2.gz CNMUCKHCOLRITO-BYCMXARLSA-N 0 0 332.356 3.172 10 5 EGBERN CC(C)(C)n1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598465930 459903971 /nfs/dbraw/zinc/90/39/71/459903971.db2.gz NZIAUKMYIGOILP-UHFFFAOYSA-N 0 0 327.344 3.280 10 5 EGBERN CC1(C)CCC[C@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000588027532 459904448 /nfs/dbraw/zinc/90/44/48/459904448.db2.gz UMQCUNCINPCFHD-OAHLLOKOSA-N 0 0 336.417 3.343 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])nc1C ZINC000598469315 459905447 /nfs/dbraw/zinc/90/54/47/459905447.db2.gz PWQORDSALIKOGR-UHFFFAOYSA-N 0 0 349.318 3.097 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000609134562 459908499 /nfs/dbraw/zinc/90/84/99/459908499.db2.gz YBMRGTGZAVMANO-CYBMUJFWSA-N 0 0 344.820 3.120 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000602392916 459913959 /nfs/dbraw/zinc/91/39/59/459913959.db2.gz TULCRVDIVFEUNX-GXTWGEPZSA-N 0 0 331.397 3.374 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000618172957 459920614 /nfs/dbraw/zinc/92/06/14/459920614.db2.gz FDAILSOPACVEOX-AWEZNQCLSA-N 0 0 329.404 3.026 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(=O)OC)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000597349354 459925430 /nfs/dbraw/zinc/92/54/30/459925430.db2.gz ONTFEIHRRMSIKL-AWEZNQCLSA-N 0 0 346.339 3.164 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC1(F)F ZINC000588180161 459926751 /nfs/dbraw/zinc/92/67/51/459926751.db2.gz KPXVOHGXDXJASZ-UFBFGSQYSA-N 0 0 348.733 3.320 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC1(F)F ZINC000588232679 459934776 /nfs/dbraw/zinc/93/47/76/459934776.db2.gz VUXMPHWCKDBQRB-GXFFZTMASA-N 0 0 327.331 3.089 10 5 EGBERN C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCO1 ZINC000597423014 459947829 /nfs/dbraw/zinc/94/78/29/459947829.db2.gz XJZQGIUTZBSRMP-GUYCJALGSA-N 0 0 332.400 3.291 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000598579389 459950195 /nfs/dbraw/zinc/95/01/95/459950195.db2.gz WRZFWFROHKXGAG-LJQANCHMSA-N 0 0 339.395 3.396 10 5 EGBERN Cc1ccc(S(=O)(=O)N(C)C2(C)CCCC2)c(C)c1[N+](=O)[O-] ZINC000598616275 459965550 /nfs/dbraw/zinc/96/55/50/459965550.db2.gz NOXMVAUYNQFQEN-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN C[C@H](Cc1ccco1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597479340 459969654 /nfs/dbraw/zinc/96/96/54/459969654.db2.gz NLKGUICOHBBGOX-LLVKDONJSA-N 0 0 336.775 3.379 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000593762916 459978220 /nfs/dbraw/zinc/97/82/20/459978220.db2.gz ZNUJXEYDDURDIA-HNNXBMFYSA-N 0 0 349.341 3.109 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000588814912 459985590 /nfs/dbraw/zinc/98/55/90/459985590.db2.gz BIOPKMWIFZUZEA-GFCCVEGCSA-N 0 0 346.391 3.112 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccn2c1 ZINC000609619503 459995946 /nfs/dbraw/zinc/99/59/46/459995946.db2.gz ZLASXROUAKENQO-UHFFFAOYSA-N 0 0 339.355 3.073 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597578660 459999677 /nfs/dbraw/zinc/99/96/77/459999677.db2.gz ACPKYCYOLZHUBR-GXFFZTMASA-N 0 0 346.305 3.045 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CCO2 ZINC000593835735 459999711 /nfs/dbraw/zinc/99/97/11/459999711.db2.gz TVBFYCVQUXCSNW-UHFFFAOYSA-N 0 0 344.371 3.097 10 5 EGBERN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000609652039 460002312 /nfs/dbraw/zinc/00/23/12/460002312.db2.gz QGCVEAPYBUWVHY-CYBMUJFWSA-N 0 0 343.383 3.151 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]1c1cccnc1 ZINC000597609372 460006738 /nfs/dbraw/zinc/00/67/38/460006738.db2.gz IANIFAHZKOHIJD-OLZOCXBDSA-N 0 0 331.759 3.238 10 5 EGBERN C[C@H]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609676236 460008212 /nfs/dbraw/zinc/00/82/12/460008212.db2.gz UAQDRVUZHDDQHE-WDEREUQCSA-N 0 0 332.447 3.151 10 5 EGBERN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593887106 460010107 /nfs/dbraw/zinc/01/01/07/460010107.db2.gz OATACVJITFKHBV-NSHDSACASA-N 0 0 343.358 3.118 10 5 EGBERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758021 460014407 /nfs/dbraw/zinc/01/44/07/460014407.db2.gz GWIMJIYGDLIVLQ-IUODEOHRSA-N 0 0 343.383 3.040 10 5 EGBERN CCC1(O)CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618469594 460019847 /nfs/dbraw/zinc/01/98/47/460019847.db2.gz CCGMFGBTEVHVFY-UHFFFAOYSA-N 0 0 340.807 3.370 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000589102919 460030332 /nfs/dbraw/zinc/03/03/32/460030332.db2.gz DTLLIQJTNUYYMP-OAHLLOKOSA-N 0 0 327.384 3.290 10 5 EGBERN O=C(NCCNc1ccc(C(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000589103869 460030468 /nfs/dbraw/zinc/03/04/68/460030468.db2.gz YGZZTNZXKNMOJY-UHFFFAOYSA-N 0 0 335.310 3.374 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000598779257 460030906 /nfs/dbraw/zinc/03/09/06/460030906.db2.gz FIRSOMNYXPBKME-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598779181 460031254 /nfs/dbraw/zinc/03/12/54/460031254.db2.gz BJBUXISBXSCTGJ-VHSXEESVSA-N 0 0 330.356 3.237 10 5 EGBERN CCCN(C(=O)C[C@@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000598842437 460062571 /nfs/dbraw/zinc/06/25/71/460062571.db2.gz OLWOYZGTRJJENV-CQSZACIVSA-N 0 0 330.388 3.494 10 5 EGBERN CCCc1nccnc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598877591 460079980 /nfs/dbraw/zinc/07/99/80/460079980.db2.gz FNAIKZRQAUQFCF-UHFFFAOYSA-N 0 0 332.385 3.068 10 5 EGBERN CC(C)CCc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000597869913 460088154 /nfs/dbraw/zinc/08/81/54/460088154.db2.gz JIBODBDFZQQBLN-UHFFFAOYSA-N 0 0 338.364 3.426 10 5 EGBERN Cc1ncc(Cl)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000610233479 460091046 /nfs/dbraw/zinc/09/10/46/460091046.db2.gz PAYNFEFRMHFBJG-UHFFFAOYSA-N 0 0 348.790 3.099 10 5 EGBERN COc1ccc(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594079034 460091224 /nfs/dbraw/zinc/09/12/24/460091224.db2.gz PYMOMRQUTUTDTP-ZDUSSCGKSA-N 0 0 349.387 3.217 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594094312 460098085 /nfs/dbraw/zinc/09/80/85/460098085.db2.gz IUVWNKDUHJYPEN-CYBMUJFWSA-N 0 0 349.387 3.217 10 5 EGBERN Cc1c([C@@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943782 460098256 /nfs/dbraw/zinc/09/82/56/460098256.db2.gz YCRVDMKJGSRKRE-FZKQIMNGSA-N 0 0 339.395 3.267 10 5 EGBERN CCc1noc(COc2ccc(Oc3cccnc3[N+](=O)[O-])cc2)n1 ZINC000610279949 460106162 /nfs/dbraw/zinc/10/61/62/460106162.db2.gz VXQZYIKMOWYZAP-UHFFFAOYSA-N 0 0 342.311 3.307 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000597919388 460111318 /nfs/dbraw/zinc/11/13/18/460111318.db2.gz LQXPCVILEPLMHS-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000597919558 460111408 /nfs/dbraw/zinc/11/14/08/460111408.db2.gz NQSHLKSCIVEVDQ-LBPRGKRZSA-N 0 0 338.429 3.252 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594135818 460120846 /nfs/dbraw/zinc/12/08/46/460120846.db2.gz QEDFMYFQOKRHDH-HOMQSWHASA-N 0 0 326.780 3.324 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002965 460124430 /nfs/dbraw/zinc/12/44/30/460124430.db2.gz GAXKTPZNNGKJMZ-SZOQZIPDSA-N 0 0 349.431 3.029 10 5 EGBERN CCN(CC1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589679291 460126385 /nfs/dbraw/zinc/12/63/85/460126385.db2.gz NRYUZNIWUATRGH-UHFFFAOYSA-N 0 0 330.388 3.060 10 5 EGBERN COCc1ccc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])cc1OC ZINC000599014042 460127584 /nfs/dbraw/zinc/12/75/84/460127584.db2.gz NPNBQJQELLAMGV-UHFFFAOYSA-N 0 0 348.355 3.076 10 5 EGBERN CCC[C@H](C)c1cc(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH][nH]1 ZINC000610352228 460130786 /nfs/dbraw/zinc/13/07/86/460130786.db2.gz SFILVVUNSIWGKJ-JTQLQIEISA-N 0 0 341.371 3.377 10 5 EGBERN Cc1c(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594165678 460135158 /nfs/dbraw/zinc/13/51/58/460135158.db2.gz QXZAOZSJPDJRIH-GXFFZTMASA-N 0 0 346.305 3.133 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)cccc1[N+](=O)[O-] ZINC000599040611 460136182 /nfs/dbraw/zinc/13/61/82/460136182.db2.gz LTKJDRDMLSMPKT-UONOGXRCSA-N 0 0 331.397 3.320 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594185353 460140215 /nfs/dbraw/zinc/14/02/15/460140215.db2.gz HOFUEJWVNINELT-WMLDXEAASA-N 0 0 347.415 3.247 10 5 EGBERN C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599062519 460147516 /nfs/dbraw/zinc/14/75/16/460147516.db2.gz XWRBZRYXCNFCLO-SECBINFHSA-N 0 0 328.294 3.198 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594201778 460148118 /nfs/dbraw/zinc/14/81/18/460148118.db2.gz AABPJYGBUHRAGD-AWEZNQCLSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594202161 460148350 /nfs/dbraw/zinc/14/83/50/460148350.db2.gz DZFLOABYZJZEQX-HNNXBMFYSA-N 0 0 346.427 3.478 10 5 EGBERN COc1cccc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594202407 460148553 /nfs/dbraw/zinc/14/85/53/460148553.db2.gz GZQMUKXJKUBZDV-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN CC(=O)NC1CCC(N(C)c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599067007 460149089 /nfs/dbraw/zinc/14/90/89/460149089.db2.gz WIHQXNYTDAYELB-UHFFFAOYSA-N 0 0 342.399 3.027 10 5 EGBERN COc1cc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594203984 460149037 /nfs/dbraw/zinc/14/90/37/460149037.db2.gz OMCPZOICQCKNPL-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1ccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594205500 460151207 /nfs/dbraw/zinc/15/12/07/460151207.db2.gz XFFXFFFLYDJWOV-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN CC(C)(CNc1ccc2cnccc2c1[N+](=O)[O-])C1(O)CCOCC1 ZINC000599089217 460157250 /nfs/dbraw/zinc/15/72/50/460157250.db2.gz CPVDGJLYKYIVEN-UHFFFAOYSA-N 0 0 345.399 3.123 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000598068020 460159339 /nfs/dbraw/zinc/15/93/39/460159339.db2.gz MKKQRGOURGLTGA-QGZVFWFLSA-N 0 0 348.378 3.142 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1ccccc1F)C(C)C ZINC000598068019 460159460 /nfs/dbraw/zinc/15/94/60/460159460.db2.gz MKKQRGOURGLTGA-KRWDZBQOSA-N 0 0 348.378 3.142 10 5 EGBERN Cc1cc(NC[C@@H](n2cccn2)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000599119485 460166039 /nfs/dbraw/zinc/16/60/39/460166039.db2.gz YSVDMOZTZZJLSE-GFCCVEGCSA-N 0 0 332.257 3.454 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CC[C@@H](C2)S3)c(Br)c1 ZINC000599134220 460170351 /nfs/dbraw/zinc/17/03/51/460170351.db2.gz GRAMWJBFJYMVRF-ZJUUUORDSA-N 0 0 344.234 3.227 10 5 EGBERN COc1ccc(CN2CC[C@@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138864 460172597 /nfs/dbraw/zinc/17/25/97/460172597.db2.gz HSJYTKYXCKGOPK-CYBMUJFWSA-N 0 0 333.413 3.351 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610526507 460176302 /nfs/dbraw/zinc/17/63/02/460176302.db2.gz NMPWRVUTBBDDBU-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610526795 460176662 /nfs/dbraw/zinc/17/66/62/460176662.db2.gz WWSSHIOUOYDXNM-NSHDSACASA-N 0 0 333.775 3.106 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610528765 460176793 /nfs/dbraw/zinc/17/67/93/460176793.db2.gz NVZDWAJDOZUOJE-CHWSQXEVSA-N 0 0 328.372 3.154 10 5 EGBERN CC1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)n2)CC1 ZINC000599164700 460183398 /nfs/dbraw/zinc/18/33/98/460183398.db2.gz KBWJGCZIUDBNNZ-UHFFFAOYSA-N 0 0 329.291 3.021 10 5 EGBERN O=c1[nH]ccc(N2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000599168182 460184432 /nfs/dbraw/zinc/18/44/32/460184432.db2.gz AUQJZTOQCHOWOO-UHFFFAOYSA-N 0 0 339.273 3.277 10 5 EGBERN Cc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599174051 460187150 /nfs/dbraw/zinc/18/71/50/460187150.db2.gz JFGRZYWLAVSLGF-SCLBCKFNSA-N 0 0 327.384 3.050 10 5 EGBERN CCC(O)(CC)CN(C)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000599190564 460193538 /nfs/dbraw/zinc/19/35/38/460193538.db2.gz HGHGFPCNPQQYEG-UHFFFAOYSA-N 0 0 344.795 3.022 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000599190698 460194001 /nfs/dbraw/zinc/19/40/01/460194001.db2.gz DQEBGCGRWISQSQ-CQSZACIVSA-N 0 0 342.351 3.081 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)cc1F ZINC000599193343 460194866 /nfs/dbraw/zinc/19/48/66/460194866.db2.gz JYIJXVDRWWJUSR-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)cc1F ZINC000599194407 460195669 /nfs/dbraw/zinc/19/56/69/460195669.db2.gz MCIIKXPOODCUAZ-LLVKDONJSA-N 0 0 335.310 3.271 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599195489 460196399 /nfs/dbraw/zinc/19/63/99/460196399.db2.gz RFWHBVCHMIQJIX-ZDUSSCGKSA-N 0 0 348.378 3.261 10 5 EGBERN Cc1cc(OCc2nc(-c3coc(C4CC4)n3)no2)ccc1[N+](=O)[O-] ZINC000599196943 460196641 /nfs/dbraw/zinc/19/66/41/460196641.db2.gz UDFLIKQXTNVELD-UHFFFAOYSA-N 0 0 342.311 3.398 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598185259 460197691 /nfs/dbraw/zinc/19/76/91/460197691.db2.gz IFQMSQKYSIQMQL-SFHVURJKSA-N 0 0 332.400 3.095 10 5 EGBERN CC(C)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594378105 460200733 /nfs/dbraw/zinc/20/07/33/460200733.db2.gz ZPPDSCSBJLTUQH-WMLDXEAASA-N 0 0 346.427 3.168 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2C)C1 ZINC000610660218 460206718 /nfs/dbraw/zinc/20/67/18/460206718.db2.gz JPJKOJDVRRSPPC-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CC1(F)F ZINC000598215029 460207124 /nfs/dbraw/zinc/20/71/24/460207124.db2.gz GMCKDXRPROQYNB-ZANVPECISA-N 0 0 330.356 3.237 10 5 EGBERN C[C@@]1(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000598217023 460208466 /nfs/dbraw/zinc/20/84/66/460208466.db2.gz VOQMCCQYWJJYNP-CYBMUJFWSA-N 0 0 330.356 3.239 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598228206 460214769 /nfs/dbraw/zinc/21/47/69/460214769.db2.gz PTDOQDZRQGQSQL-NWDGAFQWSA-N 0 0 326.343 3.436 10 5 EGBERN CC(C)(C(=O)N1CC(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610745152 460229760 /nfs/dbraw/zinc/22/97/60/460229760.db2.gz XZWNNDPRVNTULB-UHFFFAOYSA-N 0 0 330.306 3.283 10 5 EGBERN Cc1sc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000610765967 460233590 /nfs/dbraw/zinc/23/35/90/460233590.db2.gz KTNRDCSJXVXOFT-UHFFFAOYSA-N 0 0 342.380 3.081 10 5 EGBERN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccncc1 ZINC000610770256 460234470 /nfs/dbraw/zinc/23/44/70/460234470.db2.gz LARDRLHBMHTXQQ-VIFPVBQESA-N 0 0 337.177 3.363 10 5 EGBERN Cc1nccc([C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000610929200 460262650 /nfs/dbraw/zinc/26/26/50/460262650.db2.gz AUZQFMMBXKVTCY-LLVKDONJSA-N 0 0 333.779 3.126 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000610981300 460271253 /nfs/dbraw/zinc/27/12/53/460271253.db2.gz UYNNQCRVUKXAPR-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N(C2CC2)C2CCCCC2)c1 ZINC000611032400 460280523 /nfs/dbraw/zinc/28/05/23/460280523.db2.gz YFBHSBBPUILJFT-UHFFFAOYSA-N 0 0 338.429 3.222 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(c3cccc4[nH]ccc43)CC2)cs1 ZINC000599626626 460291055 /nfs/dbraw/zinc/29/10/55/460291055.db2.gz XJGLBPIDOBNHLA-UHFFFAOYSA-N 0 0 342.424 3.460 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1C(F)(F)F ZINC000611178433 460302427 /nfs/dbraw/zinc/30/24/27/460302427.db2.gz IFVMTPDCQUOKAA-CQSZACIVSA-N 0 0 348.321 3.145 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611221537 460311009 /nfs/dbraw/zinc/31/10/09/460311009.db2.gz RHFVDDCAWYXLQX-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN CSc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccn1 ZINC000611238484 460314488 /nfs/dbraw/zinc/31/44/88/460314488.db2.gz RXSWBKMWOLNCOG-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(OCc2ccccc2F)CC1 ZINC000611257043 460319887 /nfs/dbraw/zinc/31/98/87/460319887.db2.gz CAONALCVUCEDFX-UHFFFAOYSA-N 0 0 331.347 3.315 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN(CC(F)F)CC1CCC1)OCCO2 ZINC000611285404 460329743 /nfs/dbraw/zinc/32/97/43/460329743.db2.gz VPICTMHQRWBESL-UHFFFAOYSA-N 0 0 342.342 3.233 10 5 EGBERN Cc1sc(C(=O)NCCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000611343834 460340188 /nfs/dbraw/zinc/34/01/88/460340188.db2.gz BUGHGOBTQRBYHY-UHFFFAOYSA-N 0 0 342.417 3.207 10 5 EGBERN CO[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1(C)C ZINC000599832039 460343851 /nfs/dbraw/zinc/34/38/51/460343851.db2.gz SBIIRDHANFQPMH-CABCVRRESA-N 0 0 344.371 3.078 10 5 EGBERN O=C(NC[C@H]1CCCSC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835241 460344692 /nfs/dbraw/zinc/34/46/92/460344692.db2.gz KRBSKKPJWQWYRB-LLVKDONJSA-N 0 0 346.412 3.408 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599835017 460344816 /nfs/dbraw/zinc/34/48/16/460344816.db2.gz RUUYVPPUDNBQJG-IJLUTSLNSA-N 0 0 326.356 3.453 10 5 EGBERN CCC(O)(CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834802 460344871 /nfs/dbraw/zinc/34/48/71/460344871.db2.gz HZDUNXSQCLFZJK-UHFFFAOYSA-N 0 0 346.387 3.206 10 5 EGBERN CC1(F)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000619419027 460350834 /nfs/dbraw/zinc/35/08/34/460350834.db2.gz BFZZXZXEXWQLGV-UHFFFAOYSA-N 0 0 343.358 3.391 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000619516748 460372923 /nfs/dbraw/zinc/37/29/23/460372923.db2.gz FRZKBLNDNHAGRV-QFYYESIMSA-N 0 0 326.327 3.351 10 5 EGBERN CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000611484834 460374848 /nfs/dbraw/zinc/37/48/48/460374848.db2.gz TXFXWZVZKIXQFM-HOCLYGCPSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1F ZINC000611505306 460380346 /nfs/dbraw/zinc/38/03/46/460380346.db2.gz BGJKAWRFILUOHG-UFBFGSQYSA-N 0 0 345.168 3.177 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1F ZINC000611507220 460381779 /nfs/dbraw/zinc/38/17/79/460381779.db2.gz YZUSKGZVPLSUEW-UFBFGSQYSA-N 0 0 334.269 3.434 10 5 EGBERN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521533 460386192 /nfs/dbraw/zinc/38/61/92/460386192.db2.gz QMHVPXFVDYJPPC-WBMJQRKESA-N 0 0 332.379 3.175 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1O ZINC000611524969 460386992 /nfs/dbraw/zinc/38/69/92/460386992.db2.gz XSPCZSVFKYSTGI-XJKSGUPXSA-N 0 0 329.400 3.376 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000611527391 460389164 /nfs/dbraw/zinc/38/91/64/460389164.db2.gz SGBBTOUKSBNJIK-LLVKDONJSA-N 0 0 329.356 3.067 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@@H]2CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000600161360 460413700 /nfs/dbraw/zinc/41/37/00/460413700.db2.gz XNXKRLVLIIRRRL-AWEZNQCLSA-N 0 0 336.436 3.131 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCCOC1 ZINC000600163609 460415107 /nfs/dbraw/zinc/41/51/07/460415107.db2.gz ANZTYIUWRQGXPO-HZPDHXFCSA-N 0 0 334.416 3.096 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616744 460415138 /nfs/dbraw/zinc/41/51/38/460415138.db2.gz KFEYWIMCQUQOEE-MZFXBISCSA-N 0 0 325.434 3.098 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000611617447 460415259 /nfs/dbraw/zinc/41/52/59/460415259.db2.gz VGIVDGLQWJFVGJ-SWLSCSKDSA-N 0 0 349.337 3.197 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)n1cnc2c1CCCC2 ZINC000600179119 460423066 /nfs/dbraw/zinc/42/30/66/460423066.db2.gz ITUWYONEVMDALH-LBPRGKRZSA-N 0 0 328.372 3.260 10 5 EGBERN CCN(CCC(F)(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604550173 460444709 /nfs/dbraw/zinc/44/47/09/460444709.db2.gz WWINSQKZLZEEOO-UHFFFAOYSA-N 0 0 329.278 3.491 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCc3sccc3C2)c1 ZINC000611752830 460450748 /nfs/dbraw/zinc/45/07/48/460450748.db2.gz UNVJZJCIVLVLFX-UHFFFAOYSA-N 0 0 332.381 3.396 10 5 EGBERN CCC(NC(=O)CN(C)c1ccccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000600247736 460456919 /nfs/dbraw/zinc/45/69/19/460456919.db2.gz YWUXRZMLJVEVHW-UHFFFAOYSA-N 0 0 331.416 3.116 10 5 EGBERN CSc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000600270481 460462229 /nfs/dbraw/zinc/46/22/29/460462229.db2.gz ANNRUOZCAMVKFV-MNOVXSKESA-N 0 0 338.454 3.427 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000600364039 460483299 /nfs/dbraw/zinc/48/32/99/460483299.db2.gz FJIMCZDVSNBUMV-UHFFFAOYSA-N 0 0 338.360 3.469 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000600370295 460486076 /nfs/dbraw/zinc/48/60/76/460486076.db2.gz MMZFHAHSWSEATN-INIZCTEOSA-N 0 0 342.395 3.458 10 5 EGBERN CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600424766 460493341 /nfs/dbraw/zinc/49/33/41/460493341.db2.gz CXYVSPGTIWMTAV-CYBMUJFWSA-N 0 0 331.347 3.470 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000600537664 460515414 /nfs/dbraw/zinc/51/54/14/460515414.db2.gz RDMMVBJOFYHILA-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN COc1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1C ZINC000600562652 460524206 /nfs/dbraw/zinc/52/42/06/460524206.db2.gz PMWTUUMFFHCNKO-UHFFFAOYSA-N 0 0 328.368 3.001 10 5 EGBERN C[C@](CO)(NCc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150550 460733772 /nfs/dbraw/zinc/73/37/72/460733772.db2.gz ZEYLSTHKJKCRKB-MRXNPFEDSA-N 0 0 338.766 3.385 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000601150869 460733871 /nfs/dbraw/zinc/73/38/71/460733871.db2.gz GVERSKCYVHZIGV-UFBFGSQYSA-N 0 0 337.273 3.024 10 5 EGBERN Cc1ccncc1N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601159466 460736271 /nfs/dbraw/zinc/73/62/71/460736271.db2.gz IDRSARPDSIURHX-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cc1cc(NCc2cccc(CO)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000601187306 460743822 /nfs/dbraw/zinc/74/38/22/460743822.db2.gz REIHHNOAHKOQKY-UHFFFAOYSA-N 0 0 341.289 3.421 10 5 EGBERN Cn1cc(CC2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC000601199281 460748342 /nfs/dbraw/zinc/74/83/42/460748342.db2.gz SAIFAEUUBSKGKM-UHFFFAOYSA-N 0 0 340.305 3.026 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1Nc1cnn2c1CCCC2 ZINC000601233960 460760114 /nfs/dbraw/zinc/76/01/14/460760114.db2.gz PUFPAHUERBVQOM-UHFFFAOYSA-N 0 0 338.165 3.029 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](C(F)F)CC1 ZINC000601240813 460762243 /nfs/dbraw/zinc/76/22/43/460762243.db2.gz YADNNBDFAGWELU-LLVKDONJSA-N 0 0 349.721 3.136 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CCC3)[C@@H]3CCCO3)c2c1 ZINC000601250148 460764599 /nfs/dbraw/zinc/76/45/99/460764599.db2.gz JAKXVXBRSXGLJT-HOTGVXAUSA-N 0 0 328.372 3.298 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288859 460777597 /nfs/dbraw/zinc/77/75/97/460777597.db2.gz DMFXPFGJYFQERR-HZPDHXFCSA-N 0 0 326.400 3.340 10 5 EGBERN COC1CCC(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601285304 460777656 /nfs/dbraw/zinc/77/76/56/460777656.db2.gz RQNYVUJIAAODCZ-UHFFFAOYSA-N 0 0 346.427 3.338 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601289218 460778958 /nfs/dbraw/zinc/77/89/58/460778958.db2.gz JSTYKXRVUMTHSK-JKSUJKDBSA-N 0 0 332.400 3.009 10 5 EGBERN COC[C@@H]1CCCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453674 460814147 /nfs/dbraw/zinc/81/41/47/460814147.db2.gz ORUJSTCNLVGENN-OAHLLOKOSA-N 0 0 346.427 3.292 10 5 EGBERN Cc1ccc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1 ZINC000601527938 460825127 /nfs/dbraw/zinc/82/51/27/460825127.db2.gz YKWSPAAAUFCBLB-UHFFFAOYSA-N 0 0 339.395 3.379 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000601598970 460842826 /nfs/dbraw/zinc/84/28/26/460842826.db2.gz SQPOGDXULUXRPP-LBPRGKRZSA-N 0 0 329.331 3.149 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]1C(F)F ZINC000601605424 460845459 /nfs/dbraw/zinc/84/54/59/460845459.db2.gz QQFRFWQFZODAOM-LLVKDONJSA-N 0 0 339.323 3.198 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ncccc2C1 ZINC000613188403 460856329 /nfs/dbraw/zinc/85/63/29/460856329.db2.gz XSNZLFJCAMEIRX-OAHLLOKOSA-N 0 0 339.395 3.143 10 5 EGBERN CC(C)O[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601653210 460856661 /nfs/dbraw/zinc/85/66/61/460856661.db2.gz DKDHLTZVBXCCTQ-MRXNPFEDSA-N 0 0 332.400 3.042 10 5 EGBERN CCOc1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000601702266 460876439 /nfs/dbraw/zinc/87/64/39/460876439.db2.gz SEHBBMZIXHPSEI-UHFFFAOYSA-N 0 0 343.383 3.389 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(CCF)CC1 ZINC000601748001 460889220 /nfs/dbraw/zinc/88/92/20/460889220.db2.gz WDRWCBIASSVHHO-UHFFFAOYSA-N 0 0 333.363 3.148 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000601771303 460894084 /nfs/dbraw/zinc/89/40/84/460894084.db2.gz SDDNOIWDMSLXDY-UHIISALHSA-N 0 0 338.429 3.393 10 5 EGBERN CC1=C(C)C[C@@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601776310 460894830 /nfs/dbraw/zinc/89/48/30/460894830.db2.gz IOSYYLBGRZXLHY-KSSFIOAISA-N 0 0 332.400 3.055 10 5 EGBERN CC(C)(C(=O)Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000601825489 460913463 /nfs/dbraw/zinc/91/34/63/460913463.db2.gz NMHUKVVTLOWTGY-UHFFFAOYSA-N 0 0 328.372 3.044 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CCOC2 ZINC000601856808 460927318 /nfs/dbraw/zinc/92/73/18/460927318.db2.gz KRSJNTXGZIJUIO-UHFFFAOYSA-N 0 0 340.379 3.214 10 5 EGBERN CNc1ccc(C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601858273 460928172 /nfs/dbraw/zinc/92/81/72/460928172.db2.gz WNRFNHWVWATDFH-MRXNPFEDSA-N 0 0 347.415 3.106 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601887724 460936606 /nfs/dbraw/zinc/93/66/06/460936606.db2.gz SWOHBGNOVZBRMS-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000601887642 460936754 /nfs/dbraw/zinc/93/67/54/460936754.db2.gz SMXPWHBKDZSHEB-RDJZCZTQSA-N 0 0 344.367 3.419 10 5 EGBERN COCC[C@@H]1CCCCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000613433784 460947260 /nfs/dbraw/zinc/94/72/60/460947260.db2.gz MTHPEXDRNVHJSV-LBPRGKRZSA-N 0 0 326.368 3.386 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000601943402 460954371 /nfs/dbraw/zinc/95/43/71/460954371.db2.gz UXOHSEYFJPOXFQ-SJCJKPOMSA-N 0 0 344.367 3.168 10 5 EGBERN C[C@@H]1SCC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000649172393 462429660 /nfs/dbraw/zinc/42/96/60/462429660.db2.gz FMFSNAPOABBECK-NHYWBVRUSA-N 0 0 338.432 3.305 10 5 EGBERN CNc1nccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000601893758 469081263 /nfs/dbraw/zinc/08/12/63/469081263.db2.gz NIOBUXQDHLTUNQ-CYBMUJFWSA-N 0 0 332.404 3.074 10 5 EGBERN COC(C)(C)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275751705 518035306 /nfs/dbraw/zinc/03/53/06/518035306.db2.gz DJFZEYSXCKYDER-SNVBAGLBSA-N 0 0 328.796 3.490 10 5 EGBERN Cc1cccc(C(=O)NC[C@H]2COC3(CCCCCC3)O2)c1[N+](=O)[O-] ZINC000181925347 534608063 /nfs/dbraw/zinc/60/80/63/534608063.db2.gz FMXZYQKENZHFQF-AWEZNQCLSA-N 0 0 348.399 3.099 10 5 EGBERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177944389 527907971 /nfs/dbraw/zinc/90/79/71/527907971.db2.gz DDDBAYZFSOEBGS-YVEFUNNKSA-N 0 0 345.399 3.257 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131936328 528606258 /nfs/dbraw/zinc/60/62/58/528606258.db2.gz GTRFSJYLCHXVFK-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191336112 528757862 /nfs/dbraw/zinc/75/78/62/528757862.db2.gz MUODHWFLRCEEFV-LBPRGKRZSA-N 0 0 337.376 3.065 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171647240 536718709 /nfs/dbraw/zinc/71/87/09/536718709.db2.gz DYNFVZSORSBJGR-GFCCVEGCSA-N 0 0 347.396 3.080 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1 ZINC000374536669 547809606 /nfs/dbraw/zinc/80/96/06/547809606.db2.gz YHSNZSYPSOXGSF-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN COc1ccc(CC(=O)O[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000727955547 574706209 /nfs/dbraw/zinc/70/62/09/574706209.db2.gz GIWXPBPINQHTJO-MRXNPFEDSA-N 0 0 327.336 3.377 10 5 EGBERN CCCCOc1ccccc1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000729084674 574812587 /nfs/dbraw/zinc/81/25/87/574812587.db2.gz NCKUWPVEEGKHKX-UHFFFAOYSA-N 0 0 332.356 3.469 10 5 EGBERN C[C@H](OC(=O)Cn1ncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000730691784 575010399 /nfs/dbraw/zinc/01/03/99/575010399.db2.gz MSXLXEHIZUFRBP-LBPRGKRZSA-N 0 0 325.324 3.249 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H](c1ccccc1)C1CCCC1 ZINC000731553025 575081161 /nfs/dbraw/zinc/08/11/61/575081161.db2.gz FWMJRSZLXJWFEG-QGZVFWFLSA-N 0 0 329.356 3.266 10 5 EGBERN Cn1c(C(=O)OCCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000731552721 575081208 /nfs/dbraw/zinc/08/12/08/575081208.db2.gz XJNNIYQMWHNHMQ-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCc1cccc(F)c1 ZINC000731589524 575083892 /nfs/dbraw/zinc/08/38/92/575083892.db2.gz YSVIGTSGNFIPNW-FLIBITNWSA-N 0 0 328.343 3.496 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1cccc(F)c1 ZINC000731589521 575083957 /nfs/dbraw/zinc/08/39/57/575083957.db2.gz YSVIGTSGNFIPNW-DHZHZOJOSA-N 0 0 328.343 3.496 10 5 EGBERN C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2F)C[C@@H](C)O1 ZINC000735487188 575668609 /nfs/dbraw/zinc/66/86/09/575668609.db2.gz RPCGOTQNWATYRX-VXGBXAGGSA-N 0 0 346.362 3.486 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492536 575669564 /nfs/dbraw/zinc/66/95/64/575669564.db2.gz IRSLTCADCFYEFX-HNNXBMFYSA-N 0 0 339.823 3.081 10 5 EGBERN COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000735535356 575676169 /nfs/dbraw/zinc/67/61/69/575676169.db2.gz VHSRIWPPBUXKTQ-HNNXBMFYSA-N 0 0 347.298 3.113 10 5 EGBERN Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000736681771 576004646 /nfs/dbraw/zinc/00/46/46/576004646.db2.gz AWVIZZJELMQBCK-UHFFFAOYSA-N 0 0 348.790 3.184 10 5 EGBERN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cc(F)ccc1F ZINC000008744755 1291106831 /nfs/dbraw/zinc/10/68/31/1291106831.db2.gz SOUJGIAREYCTRQ-DAFODLJHSA-N 0 0 348.261 3.254 10 5 EGBERN COc1cccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000011025241 1291122146 /nfs/dbraw/zinc/12/21/46/1291122146.db2.gz UTVCVCAIPIQDRY-UHFFFAOYSA-N 0 0 349.726 3.297 10 5 EGBERN C[C@H](NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000096893675 1292955076 /nfs/dbraw/zinc/95/50/76/1292955076.db2.gz ISZSIIFJVKEADP-KRZKBDHCSA-N 0 0 340.335 3.214 10 5 EGBERN C[C@H](N(C)C(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000097030012 1292956086 /nfs/dbraw/zinc/95/60/86/1292956086.db2.gz YPCVXZGUMURFAN-DGMVEKRQSA-N 0 0 348.399 3.368 10 5 EGBERN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccccc2)c1 ZINC000098055412 1292962782 /nfs/dbraw/zinc/96/27/82/1292962782.db2.gz MEBWVDPGNPYBAE-KTKRTIGZSA-N 0 0 334.335 3.432 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(Cl)c(F)c2)c1 ZINC000122963749 1293430807 /nfs/dbraw/zinc/43/08/07/1293430807.db2.gz GLBOKVNZLXNIKW-UHFFFAOYSA-N 0 0 345.735 3.296 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175591096 1294565037 /nfs/dbraw/zinc/56/50/37/1294565037.db2.gz VXDUNRPHTABNIB-QGZVFWFLSA-N 0 0 349.387 3.180 10 5 EGBERN O=C(OCc1ccccc1[N+](=O)[O-])C1(Cc2ccc(O)cc2)CC1 ZINC000869920975 1295537907 /nfs/dbraw/zinc/53/79/07/1295537907.db2.gz YOECJVADJOJCGJ-UHFFFAOYSA-N 0 0 327.336 3.367 10 5 EGBERN Cc1csc2nc(CC(=O)OCc3cccc([N+](=O)[O-])c3C)cn12 ZINC000869981587 1295574293 /nfs/dbraw/zinc/57/42/93/1295574293.db2.gz SOBVUHZUDWWJCY-UHFFFAOYSA-N 0 0 345.380 3.207 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](OC)CC[C@@H]1C ZINC000870720002 1296042799 /nfs/dbraw/zinc/04/27/99/1296042799.db2.gz KZEZXWMKLUPZNE-WCQYABFASA-N 0 0 338.429 3.346 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1csc2c1CCCC2 ZINC000870826617 1296104311 /nfs/dbraw/zinc/10/43/11/1296104311.db2.gz HLRJZVPWRODNEQ-UHFFFAOYSA-N 0 0 347.396 3.292 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc2c(c1)CCCC2 ZINC000870826900 1296105096 /nfs/dbraw/zinc/10/50/96/1296105096.db2.gz PZKKAMJGZGNEBS-UHFFFAOYSA-N 0 0 341.367 3.231 10 5 EGBERN CC(C)=C[C@@H]1[C@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000870827000 1296105220 /nfs/dbraw/zinc/10/52/20/1296105220.db2.gz RPXOCXAUUWTLTH-UZVIJOLCSA-N 0 0 333.388 3.276 10 5 EGBERN O=C(CC[C@@H]1CC1(Cl)Cl)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827819 1296105868 /nfs/dbraw/zinc/10/58/68/1296105868.db2.gz GHADTHQMWKUYAQ-FKTRJACZSA-N 0 0 348.186 3.012 10 5 EGBERN CC[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870828575 1296106299 /nfs/dbraw/zinc/10/62/99/1296106299.db2.gz RYKHDXRAJFREFX-BCLQGDPASA-N 0 0 347.346 3.371 10 5 EGBERN Cc1ccccc1C[C@H](C)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831111 1296107518 /nfs/dbraw/zinc/10/75/18/1296107518.db2.gz OXVFFVFVTCLNEZ-KTAKPFMOSA-N 0 0 343.383 3.225 10 5 EGBERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830354 1296108050 /nfs/dbraw/zinc/10/80/50/1296108050.db2.gz ZTKYJKIVWDHELC-CCAROEGRSA-N 0 0 347.396 3.212 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000870879639 1296127695 /nfs/dbraw/zinc/12/76/95/1296127695.db2.gz FVHYNCUUDXDZRP-QXMHVHEDSA-N 0 0 340.383 3.249 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000871211557 1296276087 /nfs/dbraw/zinc/27/60/87/1296276087.db2.gz VJFHJZFWUYAQQM-UHFFFAOYSA-N 0 0 331.250 3.080 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871272811 1296307066 /nfs/dbraw/zinc/30/70/66/1296307066.db2.gz LEWWCSPOEKREHZ-UHFFFAOYSA-N 0 0 342.277 3.205 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000871306419 1296336280 /nfs/dbraw/zinc/33/62/80/1296336280.db2.gz IEWCHMPMPUEDKN-YOEHRIQHSA-N 0 0 346.427 3.194 10 5 EGBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000871476092 1296409101 /nfs/dbraw/zinc/40/91/01/1296409101.db2.gz BGZZMJBPNCPMCZ-BBRMVZONSA-N 0 0 348.399 3.103 10 5 EGBERN CC1(C)CCc2onc(COc3ccc(C=O)cc3[N+](=O)[O-])c2C1 ZINC000871635948 1296462595 /nfs/dbraw/zinc/46/25/95/1296462595.db2.gz BBKNKZHQEOFPBZ-UHFFFAOYSA-N 0 0 330.340 3.489 10 5 EGBERN C[C@@H]1CCCN(C(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000871694680 1296485282 /nfs/dbraw/zinc/48/52/82/1296485282.db2.gz RJULQGPSUMQYCS-SECBINFHSA-N 0 0 330.743 3.025 10 5 EGBERN NC(COC1CCC1)=NOCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000871779041 1296527990 /nfs/dbraw/zinc/52/79/90/1296527990.db2.gz ZMYBNJFRKZCMAO-UHFFFAOYSA-N 0 0 347.293 3.181 10 5 EGBERN CCNC(=O)c1cccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872028584 1296677367 /nfs/dbraw/zinc/67/73/67/1296677367.db2.gz QOQUSEPRLRBMKX-GFCCVEGCSA-N 0 0 345.374 3.334 10 5 EGBERN C[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000872091211 1296728976 /nfs/dbraw/zinc/72/89/76/1296728976.db2.gz GYFKJPIVDTXCKM-VXGBXAGGSA-N 0 0 326.368 3.174 10 5 EGBERN Cc1cc(OCC(=O)N2CCCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000872292641 1296900483 /nfs/dbraw/zinc/90/04/83/1296900483.db2.gz KSENBODZMXSULQ-UHFFFAOYSA-N 0 0 341.367 3.047 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000312220463 1297114195 /nfs/dbraw/zinc/11/41/95/1297114195.db2.gz DNBFEUJLWRXSRR-BDAKNGLRSA-N 0 0 342.193 3.061 10 5 EGBERN COc1cccc(C(=O)O[C@@H]2CCO[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000873576319 1297602392 /nfs/dbraw/zinc/60/23/92/1297602392.db2.gz UHMJFTOKWJELDZ-RISCZKNCSA-N 0 0 337.372 3.354 10 5 EGBERN Cn1cc(CNc2ccc(Cl)c(OC(F)F)c2)c([N+](=O)[O-])n1 ZINC000877185199 1299198390 /nfs/dbraw/zinc/19/83/90/1299198390.db2.gz QUWGFYNYVDXWRB-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCCC1 ZINC000878847399 1300222789 /nfs/dbraw/zinc/22/27/89/1300222789.db2.gz VCAMEBPTNXSSHE-LLVKDONJSA-N 0 0 334.372 3.065 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000881909852 1301753933 /nfs/dbraw/zinc/75/39/33/1301753933.db2.gz VFMUMWOMKUVBJA-UHFFFAOYSA-N 0 0 348.399 3.356 10 5 EGBERN O=[N+]([O-])c1c(N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)nc2ccccn21 ZINC000884657616 1302940747 /nfs/dbraw/zinc/94/07/47/1302940747.db2.gz DUIOMWKETMBXHX-HZMBPMFUSA-N 0 0 340.305 3.411 10 5 EGBERN C/C(=C\C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000885473510 1303154314 /nfs/dbraw/zinc/15/43/14/1303154314.db2.gz HHNNUCLZEXILET-VAEPDLKGSA-N 0 0 344.411 3.320 10 5 EGBERN O=C(OCC1(O)CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000893169633 1305742787 /nfs/dbraw/zinc/74/27/87/1305742787.db2.gz PZGJQZGWZUJVSQ-UHFFFAOYSA-N 0 0 345.298 3.048 10 5 EGBERN COc1cc(C(=O)OC[C@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000893512636 1305942555 /nfs/dbraw/zinc/94/25/55/1305942555.db2.gz LUWTVSHOENOFOE-IINYFYTJSA-N 0 0 341.335 3.105 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCn2c(C)cnc21 ZINC000893525863 1305950614 /nfs/dbraw/zinc/95/06/14/1305950614.db2.gz ZWHHWSNHOGZHEB-GOEBONIOSA-N 0 0 343.383 3.357 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000893855744 1306100231 /nfs/dbraw/zinc/10/02/31/1306100231.db2.gz IDLSVFXZQKRVSR-CABCVRRESA-N 0 0 334.416 3.455 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2C[C@@H](C)Cn3nccc32)cc1[N+](=O)[O-] ZINC000893880350 1306110712 /nfs/dbraw/zinc/11/07/12/1306110712.db2.gz NGXIPKXHHOAOTB-SECBINFHSA-N 0 0 334.763 3.050 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893890535 1306115684 /nfs/dbraw/zinc/11/56/84/1306115684.db2.gz KMYNTKRTAPSVCQ-NSHDSACASA-N 0 0 346.412 3.200 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000894527483 1308938948 /nfs/dbraw/zinc/93/89/48/1308938948.db2.gz LHEKTTSJVDCZRT-ZDUSSCGKSA-N 0 0 348.399 3.073 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000894529715 1308940572 /nfs/dbraw/zinc/94/05/72/1308940572.db2.gz WMNGNASZSKOZBN-BBRMVZONSA-N 0 0 332.400 3.164 10 5 EGBERN Cc1c(CC(=O)NC[C@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894662526 1309010319 /nfs/dbraw/zinc/01/03/19/1309010319.db2.gz LIXQIILSOCKFHB-GOSISDBHSA-N 0 0 346.427 3.301 10 5 EGBERN C[C@@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894666193 1309012823 /nfs/dbraw/zinc/01/28/23/1309012823.db2.gz SZUQVLARGNOEEX-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894697498 1309026666 /nfs/dbraw/zinc/02/66/66/1309026666.db2.gz NVHGHVOVNMVTPO-KBXCAEBGSA-N 0 0 340.379 3.389 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894697505 1309026971 /nfs/dbraw/zinc/02/69/71/1309026971.db2.gz NVHGHVOVNMVTPO-RDTXWAMCSA-N 0 0 340.379 3.389 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000895223243 1309246533 /nfs/dbraw/zinc/24/65/33/1309246533.db2.gz PQSRPTFEHNLAAX-UHFFFAOYSA-N 0 0 344.346 3.148 10 5 EGBERN CC(=O)c1c(NC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000895443565 1309339531 /nfs/dbraw/zinc/33/95/31/1309339531.db2.gz OWQWNKUVCFXWBR-BXKDBHETSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@H]2C[C@@H]3COC[C@@H]3O2)c(Cl)c1 ZINC000896083929 1309692698 /nfs/dbraw/zinc/69/26/98/1309692698.db2.gz DYYGIJDMTWXPPM-GMEUVTARSA-N 0 0 333.171 3.117 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@H]2CCc3ccccc32)n1 ZINC000896241979 1309765490 /nfs/dbraw/zinc/76/54/90/1309765490.db2.gz BRSGOCGVXWMBMK-GFCCVEGCSA-N 0 0 339.355 3.041 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2CCOC3(CCCC3)C2)no1 ZINC000897193245 1310218634 /nfs/dbraw/zinc/21/86/34/1310218634.db2.gz XTDOTMQZBICYDA-NSHDSACASA-N 0 0 332.360 3.190 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000897314888 1310286699 /nfs/dbraw/zinc/28/66/99/1310286699.db2.gz CENOHBMSGRBUSJ-HIFRSBDPSA-N 0 0 334.416 3.081 10 5 EGBERN Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000898070391 1310575348 /nfs/dbraw/zinc/57/53/48/1310575348.db2.gz QDSPBTQWOPEWEY-UHFFFAOYSA-N 0 0 333.775 3.119 10 5 EGBERN C[C@@H](CCc1ccco1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929387141 1328585569 /nfs/dbraw/zinc/58/55/69/1328585569.db2.gz JORVGCYOLGCVCO-LBPRGKRZSA-N 0 0 334.347 3.397 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCCOc1ccccc1 ZINC000929549296 1328632001 /nfs/dbraw/zinc/63/20/01/1328632001.db2.gz OXQXAHRQXTYNBX-UHFFFAOYSA-N 0 0 346.358 3.252 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000899413337 1317025168 /nfs/dbraw/zinc/02/51/68/1317025168.db2.gz FVXUVRLXDNTGTF-RVMXOQNASA-N 0 0 348.399 3.024 10 5 EGBERN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384677 1319018857 /nfs/dbraw/zinc/01/88/57/1319018857.db2.gz BFDDNWNPKXOZTR-PSASIEDQSA-N 0 0 342.754 3.009 10 5 EGBERN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384678 1319019584 /nfs/dbraw/zinc/01/95/84/1319019584.db2.gz BFDDNWNPKXOZTR-SCZZXKLOSA-N 0 0 342.754 3.009 10 5 EGBERN C[C@@H]1C[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000913385326 1319020539 /nfs/dbraw/zinc/02/05/39/1319020539.db2.gz XVOJOPZZHRXRMN-PSASIEDQSA-N 0 0 342.754 3.009 10 5 EGBERN CC(Cl)(Cl)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385351 1319020609 /nfs/dbraw/zinc/02/06/09/1319020609.db2.gz YLTDCZYDQUFUFX-UHFFFAOYSA-N 0 0 329.542 3.197 10 5 EGBERN CCO[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000913385299 1319020634 /nfs/dbraw/zinc/02/06/34/1319020634.db2.gz XCBXLGZIFPUUMN-CYBMUJFWSA-N 0 0 346.786 3.455 10 5 EGBERN CO[C@@H]1CCC[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386417 1319021439 /nfs/dbraw/zinc/02/14/39/1319021439.db2.gz UKWBAVQRCACZFR-GHMZBOCLSA-N 0 0 344.770 3.209 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238809 1319274149 /nfs/dbraw/zinc/27/41/49/1319274149.db2.gz JZOXTXXCQNLUNF-XJKSGUPXSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1cnc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000914239997 1319274867 /nfs/dbraw/zinc/27/48/67/1319274867.db2.gz VSVRYUHQXJUNTR-CYBMUJFWSA-N 0 0 328.372 3.167 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858655682 1328819964 /nfs/dbraw/zinc/81/99/64/1328819964.db2.gz KKEJDOFWVXCVSM-LLVKDONJSA-N 0 0 348.256 3.155 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1Cc2ccccc2CO1 ZINC000858658983 1328820845 /nfs/dbraw/zinc/82/08/45/1328820845.db2.gz BFVNQQZTOHOKPI-ZDUSSCGKSA-N 0 0 329.312 3.056 10 5 EGBERN Cc1[nH]nc(Cl)c1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000914444496 1319329470 /nfs/dbraw/zinc/32/94/70/1319329470.db2.gz VYYXIIKZHNPIIE-UHFFFAOYSA-N 0 0 334.763 3.263 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C12CCC2 ZINC000858691950 1328832501 /nfs/dbraw/zinc/83/25/01/1328832501.db2.gz NVYVJTWSQJOENA-CYBMUJFWSA-N 0 0 348.403 3.334 10 5 EGBERN Cc1cc(-c2nnc(COC(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)o1 ZINC000916466419 1319655829 /nfs/dbraw/zinc/65/58/29/1319655829.db2.gz PRTBUBHIBYVSBI-UHFFFAOYSA-N 0 0 349.324 3.273 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000858736944 1328846310 /nfs/dbraw/zinc/84/63/10/1328846310.db2.gz VPCZONVWHKHMAA-SNVBAGLBSA-N 0 0 342.298 3.260 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000858735279 1328846787 /nfs/dbraw/zinc/84/67/87/1328846787.db2.gz FWRSAYJDQCGUJV-CYBMUJFWSA-N 0 0 327.340 3.207 10 5 EGBERN CN(C)C(=O)OCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000917163439 1319764682 /nfs/dbraw/zinc/76/46/82/1319764682.db2.gz QJGWXEKLWLCJRZ-UHFFFAOYSA-N 0 0 335.179 3.105 10 5 EGBERN O=C1CN(/C=C/c2ccccc2)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000917427676 1319808419 /nfs/dbraw/zinc/80/84/19/1319808419.db2.gz FXBNXCVAZFDSDW-VOTSOKGWSA-N 0 0 343.364 3.091 10 5 EGBERN O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1csc([N+](=O)[O-])c1 ZINC000917566962 1319839101 /nfs/dbraw/zinc/83/91/01/1319839101.db2.gz YSAGXHHYJADSLY-UHFFFAOYSA-N 0 0 345.302 3.158 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(F)cc1F ZINC000917830032 1319878323 /nfs/dbraw/zinc/87/83/23/1319878323.db2.gz WQGKGNOFLMKOBU-KGFZYKRKSA-N 0 0 327.205 3.362 10 5 EGBERN CC(C)n1ncc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1Cl ZINC000858773678 1328857194 /nfs/dbraw/zinc/85/71/94/1328857194.db2.gz OAUMRXNVUMISSE-UHFFFAOYSA-N 0 0 327.772 3.155 10 5 EGBERN CCc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2C)s1 ZINC000917906825 1319887136 /nfs/dbraw/zinc/88/71/36/1319887136.db2.gz AJBUGSKMSZSDEG-UHFFFAOYSA-N 0 0 327.383 3.295 10 5 EGBERN COc1ccc([C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)cc1F ZINC000858842773 1328873556 /nfs/dbraw/zinc/87/35/56/1328873556.db2.gz WUOUGVZUEHRJQL-LBPRGKRZSA-N 0 0 331.347 3.319 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000858864014 1328879285 /nfs/dbraw/zinc/87/92/85/1328879285.db2.gz SBVRTDAUHNPNKZ-DHCBQETCSA-N 0 0 349.387 3.486 10 5 EGBERN O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000859442656 1328987824 /nfs/dbraw/zinc/98/78/24/1328987824.db2.gz RASOSWYYHGKVCG-UHFFFAOYSA-N 0 0 349.339 3.324 10 5 EGBERN CC(C)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C ZINC000859450696 1328989862 /nfs/dbraw/zinc/98/98/62/1328989862.db2.gz UMVZHCIHBJFBOP-LLVKDONJSA-N 0 0 327.333 3.101 10 5 EGBERN CCO[C@@H](COC(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CC1 ZINC000859462895 1328992571 /nfs/dbraw/zinc/99/25/71/1328992571.db2.gz UYTBNYYOPDMKJY-AWEZNQCLSA-N 0 0 325.386 3.289 10 5 EGBERN CCn1c(C)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000859460954 1328991807 /nfs/dbraw/zinc/99/18/07/1328991807.db2.gz DVRHREXMRYNQNV-UHFFFAOYSA-N 0 0 348.330 3.212 10 5 EGBERN CCOc1ccc(OCC(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000918807801 1321999848 /nfs/dbraw/zinc/99/98/48/1321999848.db2.gz OBTKETURYFHNAS-UHFFFAOYSA-N 0 0 337.353 3.177 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000859482808 1328998244 /nfs/dbraw/zinc/99/82/44/1328998244.db2.gz IFMBHUOHOXGSCJ-HNNXBMFYSA-N 0 0 338.363 3.223 10 5 EGBERN C[C@@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000920159752 1322145894 /nfs/dbraw/zinc/14/58/94/1322145894.db2.gz WKJPJIXWNPNZJH-GFCCVEGCSA-N 0 0 338.323 3.094 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000920954403 1322238462 /nfs/dbraw/zinc/23/84/62/1322238462.db2.gz KENVPQPEKUKKDS-IEBWSBKVSA-N 0 0 340.379 3.166 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000921157928 1322265129 /nfs/dbraw/zinc/26/51/29/1322265129.db2.gz PUYFQENAXPTUGJ-UHFFFAOYSA-N 0 0 341.295 3.145 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922394260 1322519457 /nfs/dbraw/zinc/51/94/57/1322519457.db2.gz OZJGLYOMQRIPSR-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000922412827 1322523434 /nfs/dbraw/zinc/52/34/34/1322523434.db2.gz QZRWVZKRWBHDKG-KCJUWKMLSA-N 0 0 337.225 3.001 10 5 EGBERN C[C@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000922646407 1322578976 /nfs/dbraw/zinc/57/89/76/1322578976.db2.gz WMLQLZGJXNKJHY-XJKSGUPXSA-N 0 0 347.415 3.447 10 5 EGBERN COc1c(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000922693699 1322592984 /nfs/dbraw/zinc/59/29/84/1322592984.db2.gz WPDWRDKBTJBBMQ-GUDFOSOFSA-N 0 0 327.283 3.052 10 5 EGBERN O=C(COC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923417428 1322747532 /nfs/dbraw/zinc/74/75/32/1322747532.db2.gz XEHCYVFRZKXXCQ-AWEZNQCLSA-N 0 0 347.367 3.060 10 5 EGBERN O=C(COC(=O)c1ccoc1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000859679294 1329052214 /nfs/dbraw/zinc/05/22/14/1329052214.db2.gz ONOADHPEPXOFSG-UHFFFAOYSA-N 0 0 333.271 3.244 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@@H]1CCCO1 ZINC000923968279 1322859053 /nfs/dbraw/zinc/85/90/53/1322859053.db2.gz YQAACCKMYQSDSP-NSHDSACASA-N 0 0 327.764 3.293 10 5 EGBERN COCC(C)(C)c1noc(CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000924096782 1322899603 /nfs/dbraw/zinc/89/96/03/1322899603.db2.gz ZTAPWYYZPLOCHY-UHFFFAOYSA-N 0 0 339.779 3.340 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2cnn(CCF)c2)no1 ZINC000924402938 1323008735 /nfs/dbraw/zinc/00/87/35/1323008735.db2.gz GRWDXTMZKZTYBD-UHFFFAOYSA-N 0 0 331.307 3.095 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000924465464 1323030355 /nfs/dbraw/zinc/03/03/55/1323030355.db2.gz NYYXWXKCEMEFQU-TVQRCGJNSA-N 0 0 342.754 3.028 10 5 EGBERN CCCN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859822955 1329087188 /nfs/dbraw/zinc/08/71/88/1329087188.db2.gz YZOWBJYIJKGWSG-UHFFFAOYSA-N 0 0 330.384 3.371 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@H]1CC1CC1 ZINC000931297350 1329088564 /nfs/dbraw/zinc/08/85/64/1329088564.db2.gz IJEDMOBRQGOEDT-LLVKDONJSA-N 0 0 339.779 3.281 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@@H]1CC1CC1 ZINC000931297351 1329088610 /nfs/dbraw/zinc/08/86/10/1329088610.db2.gz IJEDMOBRQGOEDT-NSHDSACASA-N 0 0 339.779 3.281 10 5 EGBERN C[C@H]1CCC(=O)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000931333681 1329096698 /nfs/dbraw/zinc/09/66/98/1329096698.db2.gz CHRSUTLVNUBHOA-NSHDSACASA-N 0 0 333.388 3.478 10 5 EGBERN O=c1ccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000859891152 1329107340 /nfs/dbraw/zinc/10/73/40/1329107340.db2.gz YRTKGLGKJLANCJ-AWEZNQCLSA-N 0 0 334.763 3.081 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000859908570 1329109972 /nfs/dbraw/zinc/10/99/72/1329109972.db2.gz NCBYGIIWYHBVFO-SGMGOOAPSA-N 0 0 341.205 3.336 10 5 EGBERN Cc1noc(C)c1CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859961548 1329119609 /nfs/dbraw/zinc/11/96/09/1329119609.db2.gz LEDDNALWQZUICF-UHFFFAOYSA-N 0 0 337.763 3.216 10 5 EGBERN COC(=O)c1oc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000859967118 1329120434 /nfs/dbraw/zinc/12/04/34/1329120434.db2.gz FCVMSCOZPQOHDS-JTQLQIEISA-N 0 0 333.296 3.201 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H]2COCC[C@H]21 ZINC000860000657 1329125295 /nfs/dbraw/zinc/12/52/95/1329125295.db2.gz NMHMDHNHICTGEI-RDTXWAMCSA-N 0 0 340.379 3.389 10 5 EGBERN C[C@@]1(Br)C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000859999727 1329125453 /nfs/dbraw/zinc/12/54/53/1329125453.db2.gz GOWKGABDRPBHFY-JOYOIKCWSA-N 0 0 347.596 3.038 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000859999728 1329125496 /nfs/dbraw/zinc/12/54/96/1329125496.db2.gz GOWKGABDRPBHFY-SKDRFNHKSA-N 0 0 347.596 3.038 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000931496933 1329130994 /nfs/dbraw/zinc/13/09/94/1329130994.db2.gz YHVCVKXXONSCAD-HNNXBMFYSA-N 0 0 333.388 3.380 10 5 EGBERN O=C(NCC[C@@H]1CCC2(CCC2)O1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931612759 1329153908 /nfs/dbraw/zinc/15/39/08/1329153908.db2.gz ZHEREEKRJLDBJM-LBPRGKRZSA-N 0 0 337.351 3.347 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131435 1329152505 /nfs/dbraw/zinc/15/25/05/1329152505.db2.gz LJRBPFZVKKPUBJ-REAQECSSSA-N 0 0 331.199 3.247 10 5 EGBERN COC(=O)C1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000860188553 1329169792 /nfs/dbraw/zinc/16/97/92/1329169792.db2.gz UZKSYHHONCGEAG-QWRGUYRKSA-N 0 0 340.807 3.410 10 5 EGBERN C[C@@H](OC(=O)C12CC(C1)C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000860267986 1329185064 /nfs/dbraw/zinc/18/50/64/1329185064.db2.gz FJPYLJPNGYZJQH-PWGATLRDSA-N 0 0 329.312 3.049 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925250742 1325097374 /nfs/dbraw/zinc/09/73/74/1325097374.db2.gz UWBKMAFIFUSGCC-ZIAGYGMSSA-N 0 0 347.415 3.399 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000925249754 1325097430 /nfs/dbraw/zinc/09/74/30/1325097430.db2.gz AKRVGJYGGNSSIV-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000860319877 1329304339 /nfs/dbraw/zinc/30/43/39/1329304339.db2.gz JODYOQXZZOLLRG-SNVBAGLBSA-N 0 0 335.278 3.495 10 5 EGBERN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ocnc1C(F)F ZINC000860400295 1329313454 /nfs/dbraw/zinc/31/34/54/1329313454.db2.gz ZWNQKPZOJOWCFM-UHFFFAOYSA-N 0 0 342.254 3.146 10 5 EGBERN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000927395905 1328004423 /nfs/dbraw/zinc/00/44/23/1328004423.db2.gz BMYDVCRTPWMQKG-YOGCLGLASA-N 0 0 345.424 3.480 10 5 EGBERN C[C@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)S2)c1cccc([N+](=O)[O-])c1 ZINC000927397794 1328005949 /nfs/dbraw/zinc/00/59/49/1328005949.db2.gz MWMNWXRLWHBDIH-KPGMEVQCSA-N 0 0 334.441 3.489 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@H]1C ZINC000861198399 1329396488 /nfs/dbraw/zinc/39/64/88/1329396488.db2.gz DCTRBPKOEVGZMT-PXAZEXFGSA-N 0 0 328.368 3.245 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928144429 1328216274 /nfs/dbraw/zinc/21/62/74/1328216274.db2.gz XHKFQOZPUCCCJD-MJRJWQSSSA-N 0 0 346.330 3.114 10 5 EGBERN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000928389688 1328304795 /nfs/dbraw/zinc/30/47/95/1328304795.db2.gz XFGJCERFHOURCM-DYVFJYSZSA-N 0 0 325.368 3.398 10 5 EGBERN Cc1cc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)nn1C ZINC000861444483 1329418728 /nfs/dbraw/zinc/41/87/28/1329418728.db2.gz OICWCWIQKJQROZ-LBPRGKRZSA-N 0 0 343.261 3.097 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000929116839 1328508972 /nfs/dbraw/zinc/50/89/72/1328508972.db2.gz BCZIVAUEVPXYFU-ZIAGYGMSSA-N 0 0 333.388 3.265 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929132480 1328514806 /nfs/dbraw/zinc/51/48/06/1328514806.db2.gz DNEUVFPZXSLOGL-JQWIXIFHSA-N 0 0 332.278 3.342 10 5 EGBERN COc1cnc(F)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000861585549 1329428130 /nfs/dbraw/zinc/42/81/30/1329428130.db2.gz IJRWMJOUURERGD-UHFFFAOYSA-N 0 0 348.334 3.194 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@@H]1CC1CCC1 ZINC000861844103 1329445398 /nfs/dbraw/zinc/44/53/98/1329445398.db2.gz IYHNRJCTORHMAN-LBPRGKRZSA-N 0 0 338.791 3.279 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862005137 1329454769 /nfs/dbraw/zinc/45/47/69/1329454769.db2.gz UCVFXDUYVRQOPC-TZMCWYRMSA-N 0 0 328.368 3.029 10 5 EGBERN C/C(=C/C(=O)N1CCC(c2ncco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000862108837 1329459246 /nfs/dbraw/zinc/45/92/46/1329459246.db2.gz IVBMOIFSRZHJQN-SEYXRHQNSA-N 0 0 341.367 3.392 10 5 EGBERN O=C(N1CC[C@H]2CC[C@@H](C1)S2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000862726880 1329505405 /nfs/dbraw/zinc/50/54/05/1329505405.db2.gz AMDFCSREOYCUNC-OLZOCXBDSA-N 0 0 342.367 3.183 10 5 EGBERN C/C(=C/C(=O)N1CCC(=O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862773043 1329508038 /nfs/dbraw/zinc/50/80/38/1329508038.db2.gz QDJUMAKNJKRPCN-RAXLEYEMSA-N 0 0 330.384 3.216 10 5 EGBERN Nc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000863254566 1329539863 /nfs/dbraw/zinc/53/98/63/1329539863.db2.gz CGGFLCNDNANWEX-HRCADAONSA-N 0 0 337.379 3.053 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000863815087 1329583397 /nfs/dbraw/zinc/58/33/97/1329583397.db2.gz UOSZYZROEQBQMR-YWVDXFKGSA-N 0 0 336.363 3.318 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865152949 1329673459 /nfs/dbraw/zinc/67/34/59/1329673459.db2.gz VRELXKARJYZIQQ-OAHLLOKOSA-N 0 0 344.342 3.143 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000865257604 1329680326 /nfs/dbraw/zinc/68/03/26/1329680326.db2.gz CSYPNCQDDZAQOY-GJZGRUSLSA-N 0 0 335.429 3.229 10 5 EGBERN COCCSCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865277817 1329682386 /nfs/dbraw/zinc/68/23/86/1329682386.db2.gz AKCHVZPIUPGZOL-UHFFFAOYSA-N 0 0 329.765 3.178 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000865358874 1329688802 /nfs/dbraw/zinc/68/88/02/1329688802.db2.gz PYGWYSFVPAGUQO-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN CCc1nc(C)cn1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865394546 1329691280 /nfs/dbraw/zinc/69/12/80/1329691280.db2.gz NIUNDRJJOHNOBS-UHFFFAOYSA-N 0 0 347.762 3.414 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000865527322 1329709407 /nfs/dbraw/zinc/70/94/07/1329709407.db2.gz JKGACDKQWUNJNO-INIZCTEOSA-N 0 0 349.337 3.218 10 5 EGBERN CCN(C(C)=O)c1nc(CNCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000865786163 1329738383 /nfs/dbraw/zinc/73/83/83/1329738383.db2.gz BZIMMNWMUFNVES-UHFFFAOYSA-N 0 0 348.428 3.022 10 5 EGBERN Cn1c2ccncc2nc1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000865852922 1329745605 /nfs/dbraw/zinc/74/56/05/1329745605.db2.gz DDHKXPZZJDZIRC-AWEZNQCLSA-N 0 0 337.383 3.261 10 5 EGBERN C[C@@H](O)c1ccc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000865853307 1329745720 /nfs/dbraw/zinc/74/57/20/1329745720.db2.gz FPPUZRDNLJKJHX-CZUORRHYSA-N 0 0 327.384 3.427 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@@H]2C[C@H](c3ccccc3)CO2)cc1F ZINC000865943540 1329753471 /nfs/dbraw/zinc/75/34/71/1329753471.db2.gz SQVMTXHTUKZQJU-GJZGRUSLSA-N 0 0 346.358 3.211 10 5 EGBERN CC(C)NC(=O)c1ccc(NCC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000865985973 1329756654 /nfs/dbraw/zinc/75/66/54/1329756654.db2.gz LURSAQAEPWMRJI-GFCCVEGCSA-N 0 0 337.445 3.288 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccc(C3(C)OCCO3)cc2)n1 ZINC000866007228 1329758665 /nfs/dbraw/zinc/75/86/65/1329758665.db2.gz JIDSSNAPXTXCLH-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000934210137 1329955869 /nfs/dbraw/zinc/95/58/69/1329955869.db2.gz YOXHWZNOGLXAKC-MRXNPFEDSA-N 0 0 328.372 3.397 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000866051986 1330059595 /nfs/dbraw/zinc/05/95/95/1330059595.db2.gz JMRLRZCWCRILTQ-NVXWUHKLSA-N 0 0 327.384 3.309 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000866054090 1330060200 /nfs/dbraw/zinc/06/02/00/1330060200.db2.gz XAFMUVFPQRSKTO-CABCVRRESA-N 0 0 333.775 3.346 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000866160463 1330072254 /nfs/dbraw/zinc/07/22/54/1330072254.db2.gz ZRFSRLBFEWNAHS-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H]2CC3(CO2)CCOCC3)ccc2cnccc21 ZINC000866174445 1330073392 /nfs/dbraw/zinc/07/33/92/1330073392.db2.gz KUFFYZXYUHGBIN-CQSZACIVSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866200523 1330077671 /nfs/dbraw/zinc/07/76/71/1330077671.db2.gz XBTLFLKEEANVCC-UHFFFAOYSA-N 0 0 329.360 3.024 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480882 1330117504 /nfs/dbraw/zinc/11/75/04/1330117504.db2.gz LWXZFIBYWORMRZ-JKSUJKDBSA-N 0 0 346.456 3.293 10 5 EGBERN CCOc1cccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868057191 1330244857 /nfs/dbraw/zinc/24/48/57/1330244857.db2.gz LYRWSJBBRJQGLX-UHFFFAOYSA-N 0 0 343.383 3.301 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000868317822 1330270149 /nfs/dbraw/zinc/27/01/49/1330270149.db2.gz RKCDKTDNRKQGFM-UHFFFAOYSA-N 0 0 329.347 3.118 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000868534454 1330291275 /nfs/dbraw/zinc/29/12/75/1330291275.db2.gz GGOCHWAABDBYIT-FHBSJOOWSA-N 0 0 332.400 3.151 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000868555914 1330293596 /nfs/dbraw/zinc/29/35/96/1330293596.db2.gz YYSMJCUXLSJQKD-AWEZNQCLSA-N 0 0 343.358 3.078 10 5 EGBERN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000868607648 1330299198 /nfs/dbraw/zinc/29/91/98/1330299198.db2.gz AFNBWTZQRNAGMS-SOZUMNATSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000868655268 1330306805 /nfs/dbraw/zinc/30/68/05/1330306805.db2.gz MLSWXIDKBAYQBY-VUCTXSBTSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000869055110 1330404624 /nfs/dbraw/zinc/40/46/24/1330404624.db2.gz QMFZQDOUJZTWKO-CVEARBPZSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1sc(C(=O)OCc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000869343084 1330468173 /nfs/dbraw/zinc/46/81/73/1330468173.db2.gz CZRUOTFLEYEHQD-UHFFFAOYSA-N 0 0 333.365 3.394 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000869410836 1330485737 /nfs/dbraw/zinc/48/57/37/1330485737.db2.gz KCHDSFFABQIWSO-QGZVFWFLSA-N 0 0 343.358 3.329 10 5 EGBERN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000869797612 1330565885 /nfs/dbraw/zinc/56/58/85/1330565885.db2.gz ASZXSWOEPLDNIS-UONOGXRCSA-N 0 0 339.775 3.354 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000869826081 1330571432 /nfs/dbraw/zinc/57/14/32/1330571432.db2.gz WXEDOQFESVMWSI-XKQJLSEDSA-N 0 0 346.427 3.142 10 5 EGBERN Cc1cccc(F)c1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001323360889 1387351673 /nfs/dbraw/zinc/35/16/73/1387351673.db2.gz KGFCSQCRXZVJAG-UHFFFAOYSA-N 0 0 334.259 3.308 10 5 EGBERN Cc1cnc(COC(=O)CC2(C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC001323456960 1387372456 /nfs/dbraw/zinc/37/24/56/1387372456.db2.gz GAHSNEUYBSYPCT-UHFFFAOYSA-N 0 0 332.278 3.382 10 5 EGBERN Cc1cccc(C)c1OCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001184857015 1387549840 /nfs/dbraw/zinc/54/98/40/1387549840.db2.gz SFSXDHSWVYYAKO-UHFFFAOYSA-N 0 0 334.347 3.334 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)CCc1cccn1C ZINC001185377279 1387696684 /nfs/dbraw/zinc/69/66/84/1387696684.db2.gz NFGYQWIJMLQIFX-CYBMUJFWSA-N 0 0 345.399 3.462 10 5 EGBERN CN(CCCCCO)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001186275598 1387912812 /nfs/dbraw/zinc/91/28/12/1387912812.db2.gz OJROMTLICIOUJZ-UHFFFAOYSA-N 0 0 342.395 3.425 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001186285465 1387915365 /nfs/dbraw/zinc/91/53/65/1387915365.db2.gz RZNKITIYHSUYJH-VHSXEESVSA-N 0 0 344.268 3.454 10 5 EGBERN CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001194116586 1368186349 /nfs/dbraw/zinc/18/63/49/1368186349.db2.gz SWIHESJPMFGGMB-QGZVFWFLSA-N 0 0 349.431 3.428 10 5 EGBERN O=[N+]([O-])CCN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001195614601 1368460682 /nfs/dbraw/zinc/46/06/82/1368460682.db2.gz YSQSBQZMGSBHBZ-UHFFFAOYSA-N 0 0 338.622 3.046 10 5 EGBERN CC[C@@H]1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001186478741 1387951722 /nfs/dbraw/zinc/95/17/22/1387951722.db2.gz DQUBWKQJWBWRSK-NEPJUHHUSA-N 0 0 326.418 3.237 10 5 EGBERN O=C(OCc1ccccc1)N1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001186676013 1387997529 /nfs/dbraw/zinc/99/75/29/1387997529.db2.gz URAFCDRQQHCAPN-UHFFFAOYSA-N 0 0 345.330 3.167 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186821102 1388011202 /nfs/dbraw/zinc/01/12/02/1388011202.db2.gz BKTSDMCXSMWWPM-ZIAGYGMSSA-N 0 0 330.363 3.475 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001325792882 1388046463 /nfs/dbraw/zinc/04/64/63/1388046463.db2.gz HNMGUJYRAAVHES-UHFFFAOYSA-N 0 0 325.368 3.443 10 5 EGBERN C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001187141941 1388058509 /nfs/dbraw/zinc/05/85/09/1388058509.db2.gz YZLNCVCWZOAORG-JTQLQIEISA-N 0 0 327.356 3.401 10 5 EGBERN Cc1cc(N2CCO[C@]3(CCSC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001325977951 1388099018 /nfs/dbraw/zinc/09/90/18/1388099018.db2.gz YOPQSJRIJGXZBU-CQSZACIVSA-N 0 0 328.821 3.269 10 5 EGBERN CC(C)c1n[nH]c(CC2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001187379889 1388101333 /nfs/dbraw/zinc/10/13/33/1388101333.db2.gz GQHPUVDBUXFAOE-UHFFFAOYSA-N 0 0 329.404 3.295 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCc2ncncc2C1 ZINC001187422804 1388106073 /nfs/dbraw/zinc/10/60/73/1388106073.db2.gz LJVYKBXQMHHODX-UHFFFAOYSA-N 0 0 341.758 3.149 10 5 EGBERN CCN1CC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430316 1388106831 /nfs/dbraw/zinc/10/68/31/1388106831.db2.gz HUHCRLNWQUFKEM-INIZCTEOSA-N 0 0 339.395 3.332 10 5 EGBERN C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001118200695 1371144875 /nfs/dbraw/zinc/14/48/75/1371144875.db2.gz BWIWMDBHOJYREM-JTQLQIEISA-N 0 0 349.774 3.128 10 5 EGBERN CCOc1cccnc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001187625210 1388132977 /nfs/dbraw/zinc/13/29/77/1388132977.db2.gz QLOUBPTXLGFEAX-UHFFFAOYSA-N 0 0 342.399 3.024 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC3(CCC3)CO2)cc1C ZINC001187640424 1388134412 /nfs/dbraw/zinc/13/44/12/1388134412.db2.gz PIIKEOPMMNKTJA-ZDUSSCGKSA-N 0 0 348.399 3.451 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H](C)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001123108686 1372381891 /nfs/dbraw/zinc/38/18/91/1372381891.db2.gz GCGKXXXQNQTDLN-JTQLQIEISA-N 0 0 334.303 3.446 10 5 EGBERN C[C@H]1CC[C@H](c2nc(CC(=O)OCCC[N+](=O)[O-])cs2)CC1 ZINC001123116457 1372383922 /nfs/dbraw/zinc/38/39/22/1372383922.db2.gz JLMBNWZBTVLTNW-HAQNSBGRSA-N 0 0 326.418 3.189 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2cccs2)n1 ZINC001123254699 1372408031 /nfs/dbraw/zinc/40/80/31/1372408031.db2.gz FNEZJRKMCDPBQD-SNVBAGLBSA-N 0 0 326.399 3.013 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCCC[C@@]12CCCOC2 ZINC001124131148 1372678016 /nfs/dbraw/zinc/67/80/16/1372678016.db2.gz IAWQQDTWEKMFBZ-SFHVURJKSA-N 0 0 343.383 3.251 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001124153233 1372680098 /nfs/dbraw/zinc/68/00/98/1372680098.db2.gz VAXIIQFPZQJHRY-NSHDSACASA-N 0 0 349.314 3.253 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(F)c(C)cc1F ZINC001124404223 1372698865 /nfs/dbraw/zinc/69/88/65/1372698865.db2.gz XENLKZGKTNCFFB-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN COc1ccc2c(c1)CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)C2 ZINC001124413694 1372699525 /nfs/dbraw/zinc/69/95/25/1372699525.db2.gz NUVAZNQBSDNYSC-INIZCTEOSA-N 0 0 341.363 3.452 10 5 EGBERN CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124672143 1372721155 /nfs/dbraw/zinc/72/11/55/1372721155.db2.gz APLUQTUIKDHZQG-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cncn3)cc2)c1C ZINC001124811947 1372732778 /nfs/dbraw/zinc/73/27/78/1372732778.db2.gz QXDAIVZAEOJTRW-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cccc(OCCN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001125245612 1372762940 /nfs/dbraw/zinc/76/29/40/1372762940.db2.gz ANLCIECHYLUGBL-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN CC(C)(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001125289426 1372766787 /nfs/dbraw/zinc/76/67/87/1372766787.db2.gz JIOPIZFXKLZESX-JHJVBQTASA-N 0 0 344.333 3.369 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(-c2cccs2)c1 ZINC001125613206 1372819240 /nfs/dbraw/zinc/81/92/40/1372819240.db2.gz WWCCHKAZMVXDBK-UHFFFAOYSA-N 0 0 342.380 3.467 10 5 EGBERN CCc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cc(C)n1)CCC2 ZINC001126214116 1372949256 /nfs/dbraw/zinc/94/92/56/1372949256.db2.gz BYFYQOYOZIBWPP-UHFFFAOYSA-N 0 0 325.368 3.454 10 5 EGBERN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1C ZINC001126508170 1372970275 /nfs/dbraw/zinc/97/02/75/1372970275.db2.gz VQZYWGMISBGUSX-BETUJISGSA-N 0 0 325.368 3.385 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)oc1Br ZINC001126783798 1373022357 /nfs/dbraw/zinc/02/23/57/1373022357.db2.gz IFNHPGNBIJDCBX-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN O=C(c1ccc2scnc2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126895384 1373048377 /nfs/dbraw/zinc/04/83/77/1373048377.db2.gz CSXSUWAOHHAZPH-UHFFFAOYSA-N 0 0 339.376 3.403 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC001127011468 1373068077 /nfs/dbraw/zinc/06/80/77/1373068077.db2.gz UGPVLZZGRJBSSS-UHFFFAOYSA-N 0 0 339.754 3.306 10 5 EGBERN COc1cc(F)cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001127158117 1373098423 /nfs/dbraw/zinc/09/84/23/1373098423.db2.gz LNENNCLORATMHW-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN CC(C)(C)c1csc(C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC001127642594 1373152146 /nfs/dbraw/zinc/15/21/46/1373152146.db2.gz PIJQVQWJHMGWGW-UHFFFAOYSA-N 0 0 333.413 3.321 10 5 EGBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC001127927918 1373200609 /nfs/dbraw/zinc/20/06/09/1373200609.db2.gz UCTNARJOZBVYDC-ZDUSSCGKSA-N 0 0 332.381 3.472 10 5 EGBERN COc1ccc(OC(=O)c2n[nH]c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001127987459 1373206763 /nfs/dbraw/zinc/20/67/63/1373206763.db2.gz QETHOMOFZQIAKH-UHFFFAOYSA-N 0 0 347.714 3.352 10 5 EGBERN Cc1cnc(COC(=O)c2cc3c(o2)CCCC3)c(C)c1[N+](=O)[O-] ZINC001128189621 1373232089 /nfs/dbraw/zinc/23/20/89/1373232089.db2.gz NXVHTMHLULWUHD-UHFFFAOYSA-N 0 0 330.340 3.435 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC(=O)OC1CCCCC1 ZINC001128439532 1373267748 /nfs/dbraw/zinc/26/77/48/1373267748.db2.gz YBEMOISMDDMSAE-UHFFFAOYSA-N 0 0 348.399 3.207 10 5 EGBERN Cc1cc(OCC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001128468256 1373273561 /nfs/dbraw/zinc/27/35/61/1373273561.db2.gz DFHYDQJDVDDQMP-CFVMTHIKSA-N 0 0 334.416 3.471 10 5 EGBERN O=C(Cc1ccc(F)c(Cl)c1)NCCc1ccccc1[N+](=O)[O-] ZINC001128630301 1373299203 /nfs/dbraw/zinc/29/92/03/1373299203.db2.gz JGTLCRIENIELTD-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc(C)cs2)c(C)c([N+](=O)[O-])c1 ZINC001128628431 1373299343 /nfs/dbraw/zinc/29/93/43/1373299343.db2.gz ACWIHYKHFPVYHH-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(F)cn1 ZINC001128914972 1373323796 /nfs/dbraw/zinc/32/37/96/1373323796.db2.gz MUSXHQYNZRPTAL-SNVBAGLBSA-N 0 0 335.360 3.273 10 5 EGBERN O=C(c1nccc2occc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129109400 1373346973 /nfs/dbraw/zinc/34/69/73/1373346973.db2.gz YDZRGFPRCAGDFY-UHFFFAOYSA-N 0 0 327.271 3.078 10 5 EGBERN CCC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC001129114497 1373347731 /nfs/dbraw/zinc/34/77/31/1373347731.db2.gz FNGQOYLSCJCTFJ-HNNXBMFYSA-N 0 0 345.403 3.120 10 5 EGBERN CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129192837 1373359321 /nfs/dbraw/zinc/35/93/21/1373359321.db2.gz FZHLGKNKGSVHPV-IGCXYCKISA-N 0 0 345.399 3.030 10 5 EGBERN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCn2ccnc21 ZINC001129215330 1373362283 /nfs/dbraw/zinc/36/22/83/1373362283.db2.gz HUNKIHPEIPEDHL-UHFFFAOYSA-N 0 0 349.350 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)C2CC2)n1 ZINC001129374683 1373376700 /nfs/dbraw/zinc/37/67/00/1373376700.db2.gz SQFUBQFYIVUZIV-MRXNPFEDSA-N 0 0 325.368 3.222 10 5 EGBERN Cc1ccoc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001129413357 1373381366 /nfs/dbraw/zinc/38/13/66/1373381366.db2.gz IRYYVGWRRISZRC-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN Cc1cnc(CCNC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC001129625911 1373404585 /nfs/dbraw/zinc/40/45/85/1373404585.db2.gz JIGIJIVHOXUFSZ-UHFFFAOYSA-N 0 0 342.402 3.459 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1Cc2ccc(Cl)cc2C1 ZINC001129711082 1373415712 /nfs/dbraw/zinc/41/57/12/1373415712.db2.gz HSWJLGGFTGDCNI-UHFFFAOYSA-N 0 0 346.726 3.133 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CC1(C)C ZINC001129858579 1373429832 /nfs/dbraw/zinc/42/98/32/1373429832.db2.gz NOQNIWIFBBRTNW-OLZOCXBDSA-N 0 0 335.360 3.366 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001129973127 1373442035 /nfs/dbraw/zinc/44/20/35/1373442035.db2.gz BKYICAOZPGCXMA-AWEZNQCLSA-N 0 0 341.411 3.330 10 5 EGBERN C[C@H](C(=O)Nc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC001130196726 1373473394 /nfs/dbraw/zinc/47/33/94/1373473394.db2.gz TXBUYOUQUODWFA-QMMMGPOBSA-N 0 0 340.261 3.146 10 5 EGBERN O=C(Nc1cnnn1-c1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001130239991 1373477167 /nfs/dbraw/zinc/47/71/67/1373477167.db2.gz LNYOFGIGWFUUPV-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001130250275 1373478483 /nfs/dbraw/zinc/47/84/83/1373478483.db2.gz OJFKYIMCBBJVQE-IUODEOHRSA-N 0 0 348.399 3.320 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001130318847 1373492108 /nfs/dbraw/zinc/49/21/08/1373492108.db2.gz UOPUXFLTFGYZQT-HOTGVXAUSA-N 0 0 336.363 3.120 10 5 EGBERN CN(C)c1cc(F)cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC001130501775 1373552457 /nfs/dbraw/zinc/55/24/57/1373552457.db2.gz NTDCOAGTTRGJQR-UHFFFAOYSA-N 0 0 347.346 3.208 10 5 EGBERN CC1(C)CC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC001130720131 1373584130 /nfs/dbraw/zinc/58/41/30/1373584130.db2.gz OFXHYFJLPGULFH-UHFFFAOYSA-N 0 0 336.436 3.150 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(C)cc1OC ZINC001130867356 1373599877 /nfs/dbraw/zinc/59/98/77/1373599877.db2.gz ZVGYOPOYYGURHX-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@@H]1CC(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001130943195 1373612170 /nfs/dbraw/zinc/61/21/70/1373612170.db2.gz SPMXLZQCYCYMHU-RYUDHWBXSA-N 0 0 338.379 3.301 10 5 EGBERN CC(C)c1nn(C)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130954874 1373614902 /nfs/dbraw/zinc/61/49/02/1373614902.db2.gz QGKYWYPZIXJSJS-UHFFFAOYSA-N 0 0 339.355 3.252 10 5 EGBERN CCOc1cncc(COC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001131228588 1373665756 /nfs/dbraw/zinc/66/57/56/1373665756.db2.gz KKLRJKLJYDQHHL-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001131293375 1373675856 /nfs/dbraw/zinc/67/58/56/1373675856.db2.gz RVUXMDWLXAEKTE-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(C2CCC2)CC1 ZINC001131449142 1373700828 /nfs/dbraw/zinc/70/08/28/1373700828.db2.gz HZPTUBJJFZBBCY-UHFFFAOYSA-N 0 0 332.400 3.449 10 5 EGBERN CC1(C)CCC[C@H]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001131528657 1373716083 /nfs/dbraw/zinc/71/60/83/1373716083.db2.gz KYVGCFUYJJOROQ-NSHDSACASA-N 0 0 330.388 3.417 10 5 EGBERN Cc1ccc(F)c(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c1F ZINC001188702044 1388363573 /nfs/dbraw/zinc/36/35/73/1388363573.db2.gz WTSYUMMZPCWBIG-UHFFFAOYSA-N 0 0 347.277 3.046 10 5 EGBERN O=C([O-])[C@@H](CCF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001327050334 1388368607 /nfs/dbraw/zinc/36/86/07/1388368607.db2.gz NWGUTOCKEAKDSM-CYBMUJFWSA-N 0 0 338.360 3.226 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2noc3ccc(F)cc23)c1C ZINC001132443360 1375386952 /nfs/dbraw/zinc/38/69/52/1375386952.db2.gz LVPLGFGNXJHBKS-UHFFFAOYSA-N 0 0 343.314 3.422 10 5 EGBERN O=C(N[C@@H](CF)c1ccc(F)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001132556206 1375462840 /nfs/dbraw/zinc/46/28/40/1375462840.db2.gz WDPHXSYFOMEZLV-AWEZNQCLSA-N 0 0 346.293 3.051 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1noc2ccc(F)cc12 ZINC001132662186 1375503758 /nfs/dbraw/zinc/50/37/58/1375503758.db2.gz SNQGSJDZZSZIGH-UHFFFAOYSA-N 0 0 347.277 3.253 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1noc2cc(F)ccc12 ZINC001132718194 1375528250 /nfs/dbraw/zinc/52/82/50/1375528250.db2.gz QNJDRLABMORISG-UHFFFAOYSA-N 0 0 343.314 3.422 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001132747354 1375544121 /nfs/dbraw/zinc/54/41/21/1375544121.db2.gz LPKYPIAGEVXQOR-JTQLQIEISA-N 0 0 333.319 3.270 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2cc(F)cnc21 ZINC001133286211 1375896769 /nfs/dbraw/zinc/89/67/69/1375896769.db2.gz CGVZBKCUDVKXDG-UHFFFAOYSA-N 0 0 327.271 3.078 10 5 EGBERN O=C(Nc1cscc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001133290026 1375899500 /nfs/dbraw/zinc/89/95/00/1375899500.db2.gz MREGIYSKQYMMDO-UHFFFAOYSA-N 0 0 340.744 3.333 10 5 EGBERN Cc1nn(Cc2cncc(Br)c2)c2ccc([N+](=O)[O-])cc12 ZINC001188979759 1388425721 /nfs/dbraw/zinc/42/57/21/1388425721.db2.gz GKEIOOBIRVRNQM-UHFFFAOYSA-N 0 0 347.172 3.459 10 5 EGBERN CC[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001231411920 1376237192 /nfs/dbraw/zinc/23/71/92/1376237192.db2.gz HEXCGHKNWILSPQ-JQFCIGGWSA-N 0 0 349.431 3.286 10 5 EGBERN CC[C@@H]1c2ccccc2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001134850530 1376753691 /nfs/dbraw/zinc/75/36/91/1376753691.db2.gz SEECPHQUFIMRGS-CQSZACIVSA-N 0 0 340.335 3.431 10 5 EGBERN CC[C@H]1c2ccccc2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001134850529 1376753951 /nfs/dbraw/zinc/75/39/51/1376753951.db2.gz SEECPHQUFIMRGS-AWEZNQCLSA-N 0 0 340.335 3.431 10 5 EGBERN O=C(Nc1cccc(Oc2ccccc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC001134873916 1376762824 /nfs/dbraw/zinc/76/28/24/1376762824.db2.gz MJTGOWPSWOIKRC-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN Cc1cc(NC(=O)c2cn(C)nc2-c2ccoc2)cc([N+](=O)[O-])c1 ZINC001134962747 1376812718 /nfs/dbraw/zinc/81/27/18/1376812718.db2.gz FFXVGSHBSZRPNX-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134970174 1376817957 /nfs/dbraw/zinc/81/79/57/1376817957.db2.gz HEDAKTVLWISBHD-STQMWFEESA-N 0 0 346.333 3.482 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001135017111 1376847874 /nfs/dbraw/zinc/84/78/74/1376847874.db2.gz XRAODIZLVSGFGN-CPCISQLKSA-N 0 0 338.232 3.157 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001135245810 1376999244 /nfs/dbraw/zinc/99/92/44/1376999244.db2.gz SRUQDFFNDGMBAM-LSDHHAIUSA-N 0 0 345.443 3.316 10 5 EGBERN CC(C)CSCCCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001189182212 1388476596 /nfs/dbraw/zinc/47/65/96/1388476596.db2.gz BLFVSLHHGFLJAD-UHFFFAOYSA-N 0 0 337.401 3.191 10 5 EGBERN CN(CCc1ccncc1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136380806 1377384954 /nfs/dbraw/zinc/38/49/54/1377384954.db2.gz BSTQQGGFEYTSCX-UHFFFAOYSA-N 0 0 337.738 3.097 10 5 EGBERN O=C(Nc1cnn(C(F)F)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136501896 1377400524 /nfs/dbraw/zinc/40/05/24/1377400524.db2.gz ILQLEYPBIPJHNP-UHFFFAOYSA-N 0 0 334.641 3.231 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2ccccc2)CCC1 ZINC001137250957 1377504312 /nfs/dbraw/zinc/50/43/12/1377504312.db2.gz MCNYXISXNWSLOA-UHFFFAOYSA-N 0 0 325.368 3.072 10 5 EGBERN Cc1cccc([C@H](O)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001137449771 1377549298 /nfs/dbraw/zinc/54/92/98/1377549298.db2.gz WGTFXPVWYMDBKK-MRXNPFEDSA-N 0 0 348.786 3.328 10 5 EGBERN Cc1ccc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)cc1 ZINC001137543125 1377563469 /nfs/dbraw/zinc/56/34/69/1377563469.db2.gz FJVRFTRGTOPWPP-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc2cc[nH]c21 ZINC001138251487 1377693766 /nfs/dbraw/zinc/69/37/66/1377693766.db2.gz GJFJVEQJOQKKAL-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN Nc1c(C(=O)N[C@H]2C[C@@H]2c2cccnc2)cc2ccccc2c1[N+](=O)[O-] ZINC001138972303 1377811566 /nfs/dbraw/zinc/81/15/66/1377811566.db2.gz LLCFOHKOBLVRQQ-ZBFHGGJFSA-N 0 0 348.362 3.011 10 5 EGBERN COc1ccc(C(=O)NCc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC001278634456 1378285438 /nfs/dbraw/zinc/28/54/38/1378285438.db2.gz AUHQQHBJVGQHLG-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN CC(C)(NC(=O)/C=C\c1ccc(C=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001141502990 1378335372 /nfs/dbraw/zinc/33/53/72/1378335372.db2.gz JAUSONIBELLOPC-QXMHVHEDSA-N 0 0 338.363 3.472 10 5 EGBERN CSc1cccc(C(=O)NC/C=C\c2cccnc2)c1[N+](=O)[O-] ZINC001141575678 1378345888 /nfs/dbraw/zinc/34/58/88/1378345888.db2.gz LPUQNISLRSZFAL-XQRVVYSFSA-N 0 0 329.381 3.155 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1nc2ccccc2o1 ZINC001141591903 1378347692 /nfs/dbraw/zinc/34/76/92/1378347692.db2.gz RXPCYEVRVFNIMV-UHFFFAOYSA-N 0 0 345.742 3.248 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1csc2ccccc12 ZINC001141699283 1378363275 /nfs/dbraw/zinc/36/32/75/1378363275.db2.gz OHJDBRFGBZGSRX-UHFFFAOYSA-N 0 0 327.365 3.322 10 5 EGBERN Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC001141720176 1378366042 /nfs/dbraw/zinc/36/60/42/1378366042.db2.gz CRXIHPIXNILIMD-UHFFFAOYSA-N 0 0 340.261 3.152 10 5 EGBERN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001142128907 1378415070 /nfs/dbraw/zinc/41/50/70/1378415070.db2.gz SFEXMAIIBGXQLY-JTQLQIEISA-N 0 0 340.339 3.118 10 5 EGBERN CCOc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001142307166 1378432607 /nfs/dbraw/zinc/43/26/07/1378432607.db2.gz RNIIRVAYSXXMHR-UHFFFAOYSA-N 0 0 335.747 3.481 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc2c[nH]nc21 ZINC001143093514 1378538362 /nfs/dbraw/zinc/53/83/62/1378538362.db2.gz VYBXKZLHAYKNCX-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1ccc([N+](=O)[O-])cc1 ZINC001143410135 1378595001 /nfs/dbraw/zinc/59/50/01/1378595001.db2.gz RTHCPEPPOAANIB-INIZCTEOSA-N 0 0 337.335 3.297 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC001143912511 1378659179 /nfs/dbraw/zinc/65/91/79/1378659179.db2.gz YDKSTIGNFPIVSE-QGZVFWFLSA-N 0 0 348.443 3.464 10 5 EGBERN CCSc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001147013095 1378956003 /nfs/dbraw/zinc/95/60/03/1378956003.db2.gz RAXSFBMJDHDWRA-UHFFFAOYSA-N 0 0 326.765 3.336 10 5 EGBERN O=C(c1cccc(O)c1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001147170778 1378981743 /nfs/dbraw/zinc/98/17/43/1378981743.db2.gz HYXSZPYBVTVRRU-MRXNPFEDSA-N 0 0 348.355 3.327 10 5 EGBERN CC(C)C[C@H](CO)N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327700198 1388587469 /nfs/dbraw/zinc/58/74/69/1388587469.db2.gz RZECZCYYIAJORP-LLVKDONJSA-N 0 0 338.795 3.035 10 5 EGBERN C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001148721902 1379253262 /nfs/dbraw/zinc/25/32/62/1379253262.db2.gz ZJBYDFNLDYADGK-BZNIZROVSA-N 0 0 348.786 3.143 10 5 EGBERN Cc1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c(C)n1 ZINC001149527057 1379397157 /nfs/dbraw/zinc/39/71/57/1379397157.db2.gz XXSGTLVJFABNLI-UHFFFAOYSA-N 0 0 338.726 3.234 10 5 EGBERN O=C(c1cc2c[nH]ccc-2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153133262 1380027018 /nfs/dbraw/zinc/02/70/18/1380027018.db2.gz YKBMZKYAXYGCRI-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC001154661542 1380326408 /nfs/dbraw/zinc/32/64/08/1380326408.db2.gz PFCIEZWQJCTQRN-QMMMGPOBSA-N 0 0 328.649 3.458 10 5 EGBERN C[C@@H](NC(=O)c1c2nc[nH]c2ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001154712980 1380337496 /nfs/dbraw/zinc/33/74/96/1380337496.db2.gz INYRGJLULDQTMW-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN CC(C)c1oncc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155104281 1380409708 /nfs/dbraw/zinc/40/97/08/1380409708.db2.gz NIVFMTMEOBYOOL-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN CON(C[C@H]1CCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001156007793 1380513094 /nfs/dbraw/zinc/51/30/94/1380513094.db2.gz LHBXEIUXKKQDJF-CYBMUJFWSA-N 0 0 329.356 3.047 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001157660793 1380992219 /nfs/dbraw/zinc/99/22/19/1380992219.db2.gz YOCQVFBNPGFALT-JSGCOSHPSA-N 0 0 349.818 3.481 10 5 EGBERN COC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2s1 ZINC001158315618 1381196654 /nfs/dbraw/zinc/19/66/54/1381196654.db2.gz GDMZQIIGTFJFBX-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN COc1cc(C(=O)N[C@@H](CF)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001288081317 1381560994 /nfs/dbraw/zinc/56/09/94/1381560994.db2.gz OFAZTSUJXVEDEL-ZDUSSCGKSA-N 0 0 336.294 3.183 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(c2ccc(F)cc2)C1 ZINC001159277353 1381749654 /nfs/dbraw/zinc/74/96/54/1381749654.db2.gz PZYMUMPHPTWBBC-UHFFFAOYSA-N 0 0 346.383 3.452 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001288389611 1381800154 /nfs/dbraw/zinc/80/01/54/1381800154.db2.gz FUWGDXQUFSLNJX-AEGPPILISA-N 0 0 340.383 3.089 10 5 EGBERN O=C(NCCC1SCCS1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001328431468 1388744422 /nfs/dbraw/zinc/74/44/22/1388744422.db2.gz ICRVKIOMFGKYIV-UHFFFAOYSA-N 0 0 337.426 3.002 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cscc1Cl ZINC001288449856 1381817451 /nfs/dbraw/zinc/81/74/51/1381817451.db2.gz FYVKLVHXWBQBNP-UHFFFAOYSA-N 0 0 336.760 3.298 10 5 EGBERN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccc([N+](=O)[O-])o1 ZINC001288463036 1381823656 /nfs/dbraw/zinc/82/36/56/1381823656.db2.gz XRKCSPUKAIDBEE-UHFFFAOYSA-N 0 0 349.249 3.051 10 5 EGBERN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001159881809 1381927337 /nfs/dbraw/zinc/92/73/37/1381927337.db2.gz STDYJFYFRKNEFW-GFCCVEGCSA-N 0 0 330.315 3.490 10 5 EGBERN O=C(N[C@H]1CCCc2cccnc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001289463167 1382000417 /nfs/dbraw/zinc/00/04/17/1382000417.db2.gz PRPAFDOPSZERPI-HNNXBMFYSA-N 0 0 348.362 3.345 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(C(F)F)nc1 ZINC001289892355 1382017485 /nfs/dbraw/zinc/01/74/85/1382017485.db2.gz ARLPGOQOWZRTNN-UHFFFAOYSA-N 0 0 325.246 3.248 10 5 EGBERN O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001289958710 1382030058 /nfs/dbraw/zinc/03/00/58/1382030058.db2.gz UAUYZRLALVPAQD-QWHCGFSZSA-N 0 0 339.307 3.184 10 5 EGBERN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001160512020 1382127041 /nfs/dbraw/zinc/12/70/41/1382127041.db2.gz QCJNDSRWDAMDBU-UHFFFAOYSA-N 0 0 332.213 3.037 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc(-n2ccnc2)c1 ZINC001291587290 1382143984 /nfs/dbraw/zinc/14/39/84/1382143984.db2.gz YYKWCIJDKIXWLM-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc21 ZINC001291769874 1382152460 /nfs/dbraw/zinc/15/24/60/1382152460.db2.gz IIUQFMRGSVKLMK-CYBMUJFWSA-N 0 0 326.352 3.063 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1-n1ccnc1 ZINC001292861924 1382222899 /nfs/dbraw/zinc/22/28/99/1382222899.db2.gz DEXYHFUFRUUGMI-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc2nc(Cl)cc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2n1 ZINC001328537450 1388771448 /nfs/dbraw/zinc/77/14/48/1388771448.db2.gz HCCRLEDOBFXYQX-UHFFFAOYSA-N 0 0 343.774 3.162 10 5 EGBERN C[C@@H](CCC1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293407174 1382283634 /nfs/dbraw/zinc/28/36/34/1382283634.db2.gz FSFWZJCPVBNHBE-SUMWQHHRSA-N 0 0 334.416 3.493 10 5 EGBERN CCC[C@H]1SCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001293577804 1382305418 /nfs/dbraw/zinc/30/54/18/1382305418.db2.gz OWVBBYOFSGKLGB-SECBINFHSA-N 0 0 347.799 3.285 10 5 EGBERN O=C(Nc1nccc2ccncc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161280526 1382359660 /nfs/dbraw/zinc/35/96/60/1382359660.db2.gz PBSOKZRXQGIPGT-HUUCEWRRSA-N 0 0 334.335 3.280 10 5 EGBERN COCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161486503 1382421026 /nfs/dbraw/zinc/42/10/26/1382421026.db2.gz AYMCVSBHNCWSEL-JKSUJKDBSA-N 0 0 342.351 3.189 10 5 EGBERN C[S@@](=N)(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001161511992 1382427627 /nfs/dbraw/zinc/42/76/27/1382427627.db2.gz RQOGGQDPQUNKMS-XMMPIXPASA-N 0 0 347.396 3.202 10 5 EGBERN Cc1cccc(C)c1CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001294644455 1382482341 /nfs/dbraw/zinc/48/23/41/1382482341.db2.gz XRWXVFPTHWMBIH-UHFFFAOYSA-N 0 0 347.802 3.420 10 5 EGBERN Cn1cc([N+](=O)[O-])c(SCc2ccc(Br)cc2)n1 ZINC001161951982 1382567182 /nfs/dbraw/zinc/56/71/82/1382567182.db2.gz RHZIFZJDQALRBB-UHFFFAOYSA-N 0 0 328.191 3.383 10 5 EGBERN COC(=O)CCCCCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001162146511 1382639026 /nfs/dbraw/zinc/63/90/26/1382639026.db2.gz IWBZYBKIWMZLPR-UHFFFAOYSA-N 0 0 325.321 3.038 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(C)o2)cc1C ZINC001162590658 1382801780 /nfs/dbraw/zinc/80/17/80/1382801780.db2.gz DGFACKUOWQSNET-HNNXBMFYSA-N 0 0 348.355 3.127 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2oc(C)nc21 ZINC001163054645 1382955760 /nfs/dbraw/zinc/95/57/60/1382955760.db2.gz KQHGZFAXAWCLFT-UHFFFAOYSA-N 0 0 326.312 3.338 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001163241963 1383003557 /nfs/dbraw/zinc/00/35/57/1383003557.db2.gz JTQMZRVFLJDUDH-AWEZNQCLSA-N 0 0 344.390 3.133 10 5 EGBERN Cc1nc(N[C@H](C)c2ccc(-n3cccn3)c(F)c2)ncc1[N+](=O)[O-] ZINC001163362538 1383031851 /nfs/dbraw/zinc/03/18/51/1383031851.db2.gz AGNQBDVBSVCTHY-SNVBAGLBSA-N 0 0 342.334 3.191 10 5 EGBERN C[C@@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)OC(C)(C)C ZINC001163481071 1383060748 /nfs/dbraw/zinc/06/07/48/1383060748.db2.gz VTTAXBLCTAQAJA-LBPRGKRZSA-N 0 0 349.431 3.283 10 5 EGBERN COc1cccnc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001163507824 1383069224 /nfs/dbraw/zinc/06/92/24/1383069224.db2.gz SJCXXSRKCZUEJB-UHFFFAOYSA-N 0 0 345.746 3.207 10 5 EGBERN O=C1CC[C@H](c2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)N1 ZINC001163511989 1383070574 /nfs/dbraw/zinc/07/05/74/1383070574.db2.gz LULFUYXYYQVSGH-CYBMUJFWSA-N 0 0 332.747 3.338 10 5 EGBERN Nc1nc(NC[C@]2(Cc3ccccc3)C=CCCC2)ncc1[N+](=O)[O-] ZINC001163901412 1383134426 /nfs/dbraw/zinc/13/44/26/1383134426.db2.gz MJXBQZRNWXAPBM-GOSISDBHSA-N 0 0 339.399 3.348 10 5 EGBERN Cc1c(Br)cccc1CCNc1c([N+](=O)[O-])cnn1C ZINC001164103361 1383156765 /nfs/dbraw/zinc/15/67/65/1383156765.db2.gz PMLJRWWJVKDJIP-UHFFFAOYSA-N 0 0 339.193 3.054 10 5 EGBERN Cc1ccc(NCc2csc(-c3ccn(C)n3)n2)c([N+](=O)[O-])c1 ZINC001164131647 1383159475 /nfs/dbraw/zinc/15/94/75/1383159475.db2.gz VTUBRDDPFHKCMX-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1cccc(CO)c1 ZINC001164138009 1383160368 /nfs/dbraw/zinc/16/03/68/1383160368.db2.gz HNGCQCZIBQIBNV-UHFFFAOYSA-N 0 0 333.365 3.333 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(NC2CC(Cl)(Cl)C2)c2ccccc21 ZINC001164212364 1383166730 /nfs/dbraw/zinc/16/67/30/1383166730.db2.gz NFFUBOAZDHKJIO-UHFFFAOYSA-N 0 0 342.182 3.195 10 5 EGBERN CCOc1cc(NCCc2nc3c(s2)COCC3)ccc1[N+](=O)[O-] ZINC001164234524 1383169514 /nfs/dbraw/zinc/16/95/14/1383169514.db2.gz RDKMFXQUSJTEMS-UHFFFAOYSA-N 0 0 349.412 3.177 10 5 EGBERN C[C@@H](CC(N)=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC001164249664 1383171324 /nfs/dbraw/zinc/17/13/24/1383171324.db2.gz OOFMVKVOIKCOFQ-VIFPVBQESA-N 0 0 334.763 3.366 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001164380297 1383182806 /nfs/dbraw/zinc/18/28/06/1383182806.db2.gz SWLYXASZNPFLJH-SJLPKXTDSA-N 0 0 331.416 3.264 10 5 EGBERN COC(=O)c1ccc(OC)c(COc2cccc([N+](=O)[O-])c2C)c1 ZINC001165545557 1383309318 /nfs/dbraw/zinc/30/93/18/1383309318.db2.gz KYNRIOCCKMKETL-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298757512 1383426454 /nfs/dbraw/zinc/42/64/54/1383426454.db2.gz HNTWYMDIOCEPTC-IUCAKERBSA-N 0 0 328.800 3.258 10 5 EGBERN O=C(N[C@@H]1CCc2ccc(O)cc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001167286525 1383584888 /nfs/dbraw/zinc/58/48/88/1383584888.db2.gz GCBKCWLSEJMIKT-MRXNPFEDSA-N 0 0 337.335 3.199 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC001299858301 1383632804 /nfs/dbraw/zinc/63/28/04/1383632804.db2.gz BWEDVWKWMSDDCW-GFCCVEGCSA-N 0 0 329.381 3.465 10 5 EGBERN Cn1ccc2c1cccc2C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299931768 1383635313 /nfs/dbraw/zinc/63/53/13/1383635313.db2.gz DYKUXSPPAFNRDN-UHFFFAOYSA-N 0 0 345.305 3.295 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc2cc(F)ccc2[nH]1 ZINC001299931795 1383635322 /nfs/dbraw/zinc/63/53/22/1383635322.db2.gz GFABYKHSABXYSD-UHFFFAOYSA-N 0 0 349.268 3.423 10 5 EGBERN O=C(N[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001167483748 1383647471 /nfs/dbraw/zinc/64/74/71/1383647471.db2.gz YVBYPVVAVOVEIY-OAHLLOKOSA-N 0 0 345.424 3.051 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(N)c([N+](=O)[O-])c1 ZINC001300207218 1383652069 /nfs/dbraw/zinc/65/20/69/1383652069.db2.gz ZDRSJLHETWYRSW-BLYZHGLHSA-N 0 0 331.416 3.430 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC1CC1 ZINC001300341318 1383660259 /nfs/dbraw/zinc/66/02/59/1383660259.db2.gz RUPTYAJWCDLJPL-CQSZACIVSA-N 0 0 348.399 3.037 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC2CC3(CC3(F)F)C2)cc1Cl ZINC001328810295 1388875465 /nfs/dbraw/zinc/87/54/65/1388875465.db2.gz KHINSKLIBQUUPR-UHFFFAOYSA-N 0 0 330.718 3.474 10 5 EGBERN Nc1ccc(C(=O)NCc2ccsc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001302115345 1383742019 /nfs/dbraw/zinc/74/20/19/1383742019.db2.gz QCXGKGUIAZSHGX-UHFFFAOYSA-N 0 0 345.302 3.187 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001303079664 1383782023 /nfs/dbraw/zinc/78/20/23/1383782023.db2.gz KEPILVTUQCUHCH-SFHVURJKSA-N 0 0 325.368 3.328 10 5 EGBERN CC[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001303841335 1383815403 /nfs/dbraw/zinc/81/54/03/1383815403.db2.gz RISHFEQVFALPHI-LBPRGKRZSA-N 0 0 336.388 3.001 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC2(CC2)Oc2ccccc21 ZINC001304756737 1383853746 /nfs/dbraw/zinc/85/37/46/1383853746.db2.gz BSHVJFXKZHZYMH-UHFFFAOYSA-N 0 0 328.299 3.306 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306836359 1383908760 /nfs/dbraw/zinc/90/87/60/1383908760.db2.gz YBBOPVFWAJAJIM-ZIAGYGMSSA-N 0 0 341.367 3.152 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC001306843294 1383910125 /nfs/dbraw/zinc/91/01/25/1383910125.db2.gz YTOMPVSNDVIIOC-UHFFFAOYSA-N 0 0 346.290 3.311 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1cccc[n+]1[O-] ZINC001306911545 1383918843 /nfs/dbraw/zinc/91/88/43/1383918843.db2.gz UOSKBMQZBAQZBJ-UHFFFAOYSA-N 0 0 336.303 3.252 10 5 EGBERN CC(C)Oc1nc(NC[C@H]2COc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001306921597 1383921189 /nfs/dbraw/zinc/92/11/89/1383921189.db2.gz YSKNTRMAUHOYOE-ZDUSSCGKSA-N 0 0 343.383 3.440 10 5 EGBERN CO[C@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1(C)C ZINC001306988083 1383930355 /nfs/dbraw/zinc/93/03/55/1383930355.db2.gz KZIIXSPHPFQJPZ-NEPJUHHUSA-N 0 0 336.779 3.417 10 5 EGBERN O=[N+]([O-])c1c(SCc2nc3ccccc3[nH]2)nc2sccn21 ZINC001307138765 1383944293 /nfs/dbraw/zinc/94/42/93/1383944293.db2.gz PSDVPFGSPZQHNF-UHFFFAOYSA-N 0 0 331.382 3.473 10 5 EGBERN Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(C)n1 ZINC001307146308 1383945340 /nfs/dbraw/zinc/94/53/40/1383945340.db2.gz PXOCFAMBHSJIMG-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC001307178690 1383951149 /nfs/dbraw/zinc/95/11/49/1383951149.db2.gz OMGQDOUBMDKQHX-HZPDHXFCSA-N 0 0 334.372 3.141 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@@]1(c2ccccc2)CCCO1 ZINC001307215978 1383958846 /nfs/dbraw/zinc/95/88/46/1383958846.db2.gz GUQTYUUELLJOPZ-MRXNPFEDSA-N 0 0 333.775 3.183 10 5 EGBERN CCOc1ccc(CCNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC001307225884 1383960380 /nfs/dbraw/zinc/96/03/80/1383960380.db2.gz QHWAUEBWGZBISL-UHFFFAOYSA-N 0 0 326.356 3.296 10 5 EGBERN COC(=O)Cc1ccc(N2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC001307226165 1383961306 /nfs/dbraw/zinc/96/13/06/1383961306.db2.gz CMJBKTPGEXHDRN-UHFFFAOYSA-N 0 0 346.770 3.484 10 5 EGBERN COc1ccc([C@H]2CCCN2c2c([N+](=O)[O-])cccc2[N+](=O)[O-])nc1 ZINC001307230428 1383962032 /nfs/dbraw/zinc/96/20/32/1383962032.db2.gz QTFACCIFLJFGQH-CYBMUJFWSA-N 0 0 344.327 3.248 10 5 EGBERN COC(=O)c1ccc(OC[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307327681 1383971738 /nfs/dbraw/zinc/97/17/38/1383971738.db2.gz HXILJQNPYHLAQA-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN O=C(COc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)CCO2 ZINC001307354376 1383975967 /nfs/dbraw/zinc/97/59/67/1383975967.db2.gz HHFYADMXDUVFAN-UHFFFAOYSA-N 0 0 335.262 3.070 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC001307359827 1383976538 /nfs/dbraw/zinc/97/65/38/1383976538.db2.gz VLJSMBHUHWMMSP-UHFFFAOYSA-N 0 0 325.773 3.363 10 5 EGBERN CC(=O)c1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1F ZINC001307393433 1383982231 /nfs/dbraw/zinc/98/22/31/1383982231.db2.gz QCDLQUNEFWMTHM-UHFFFAOYSA-N 0 0 346.314 3.262 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN(Cc1nnc(C)o1)C(C)(C)C ZINC001307541118 1383999640 /nfs/dbraw/zinc/99/96/40/1383999640.db2.gz GDKNKHVXHNGIRZ-UHFFFAOYSA-N 0 0 334.376 3.096 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1ccn(-c3ccccc3F)n1)CC2 ZINC001169024431 1384092081 /nfs/dbraw/zinc/09/20/81/1384092081.db2.gz MRSLDCKMWPZQEK-UHFFFAOYSA-N 0 0 338.342 3.482 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560703 1384133822 /nfs/dbraw/zinc/13/38/22/1384133822.db2.gz LKGHPHAIWJYHER-OQLLNIDSSA-N 0 0 345.443 3.329 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C1CCC(C)CC1 ZINC001309371034 1384179316 /nfs/dbraw/zinc/17/93/16/1384179316.db2.gz BIGYWJSMQANVHX-UHFFFAOYSA-N 0 0 341.385 3.085 10 5 EGBERN Nc1ccc(C(=O)NCc2csc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001170058792 1384226694 /nfs/dbraw/zinc/22/66/94/1384226694.db2.gz SDUNRSMONMWYIY-UHFFFAOYSA-N 0 0 345.302 3.187 10 5 EGBERN CCC1(CC)[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1OC ZINC001312346932 1384341482 /nfs/dbraw/zinc/34/14/82/1384341482.db2.gz BDKLBLLRYPSEOA-HZPDHXFCSA-N 0 0 349.431 3.296 10 5 EGBERN CCOC(=O)[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001170938117 1384414951 /nfs/dbraw/zinc/41/49/51/1384414951.db2.gz CIFSXJLNYOFMIU-MRXNPFEDSA-N 0 0 332.331 3.128 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CCCC1 ZINC001313422857 1384417501 /nfs/dbraw/zinc/41/75/01/1384417501.db2.gz QMOCJYRUNKMZFM-GJZGRUSLSA-N 0 0 346.431 3.132 10 5 EGBERN CC1(CC(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC001313445224 1384424188 /nfs/dbraw/zinc/42/41/88/1384424188.db2.gz SDHKWARVXZZKEX-UHFFFAOYSA-N 0 0 345.443 3.209 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCc2ccc(C(C)(C)C)o2)c1[N+](=O)[O-] ZINC001171696120 1384605659 /nfs/dbraw/zinc/60/56/59/1384605659.db2.gz WNYSZNNPUZLURA-UHFFFAOYSA-N 0 0 334.376 3.262 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329078889 1388958514 /nfs/dbraw/zinc/95/85/14/1388958514.db2.gz DTUDZGIJHBNXDA-OUAUKWLOSA-N 0 0 342.367 3.237 10 5 EGBERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1Br ZINC001335885986 1388958898 /nfs/dbraw/zinc/95/88/98/1388958898.db2.gz UVNJVHZFDUWUSK-NXEZZACHSA-N 0 0 343.221 3.091 10 5 EGBERN C[C@@H]1CCC[C@H](C2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001174820256 1385154942 /nfs/dbraw/zinc/15/49/42/1385154942.db2.gz KEOXADPNVCKZTB-NEPJUHHUSA-N 0 0 342.399 3.369 10 5 EGBERN CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001317734002 1385429789 /nfs/dbraw/zinc/42/97/89/1385429789.db2.gz FMZRQTRTKQSTEM-NAUDGSTISA-N 0 0 343.427 3.126 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCC(c2nnc([C@H]3CCCO3)o2)CC1 ZINC001329146441 1388989122 /nfs/dbraw/zinc/98/91/22/1388989122.db2.gz IXKCPFOQSTWSPT-OAHLLOKOSA-N 0 0 344.371 3.213 10 5 EGBERN CC(C)CC1(C(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001318041540 1385615712 /nfs/dbraw/zinc/61/57/12/1385615712.db2.gz ITLQIGAGKABBBZ-UHFFFAOYSA-N 0 0 345.443 3.112 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc[nH]n1 ZINC001176541861 1385618975 /nfs/dbraw/zinc/61/89/75/1385618975.db2.gz CHCQTCUVWDZSON-UHFFFAOYSA-N 0 0 348.428 3.183 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnc2[nH]ccc2c1 ZINC001177489889 1385976699 /nfs/dbraw/zinc/97/66/99/1385976699.db2.gz MWJBIVFSDBYICR-UHFFFAOYSA-N 0 0 335.323 3.016 10 5 EGBERN Cc1noc(C(C)C)c1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001178274124 1386178169 /nfs/dbraw/zinc/17/81/69/1386178169.db2.gz QBNDYUTYLMWAAI-UHFFFAOYSA-N 0 0 347.356 3.272 10 5 EGBERN CC[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001178321058 1386187939 /nfs/dbraw/zinc/18/79/39/1386187939.db2.gz SWQLZYXKFAKUME-MSKHEQNASA-N 0 0 348.399 3.092 10 5 EGBERN Cn1cnc2ccc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cc21 ZINC001178836508 1386323266 /nfs/dbraw/zinc/32/32/66/1386323266.db2.gz LZPPKEFNESINPP-UHFFFAOYSA-N 0 0 342.330 3.192 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2c[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC001179092232 1386397648 /nfs/dbraw/zinc/39/76/48/1386397648.db2.gz JQUDGMGDTTYBJD-UHFFFAOYSA-N 0 0 336.779 3.333 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nc(C)c2)cc1SC ZINC001319974383 1386428698 /nfs/dbraw/zinc/42/86/98/1386428698.db2.gz PSTYOHGMISZSIP-UHFFFAOYSA-N 0 0 347.396 3.011 10 5 EGBERN Cc1ccc(NC(=O)Cc2ccc(F)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001179879913 1386617069 /nfs/dbraw/zinc/61/70/69/1386617069.db2.gz VLMKVNGKLPJMDB-UHFFFAOYSA-N 0 0 337.738 3.459 10 5 EGBERN CC(C)=C(C)CC(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001321190557 1386836279 /nfs/dbraw/zinc/83/62/79/1386836279.db2.gz VMGCPYBZFIDHDA-PLNGDYQASA-N 0 0 337.445 3.165 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001181735348 1387047581 /nfs/dbraw/zinc/04/75/81/1387047581.db2.gz YVIIHDGPNHTAGA-LQQYEPNUSA-N 0 0 349.145 3.090 10 5 EGBERN O=C(N[C@@H]1CCCC(F)(F)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322700244 1387227356 /nfs/dbraw/zinc/22/73/56/1387227356.db2.gz QEAIICTYLMQGEY-GFCCVEGCSA-N 0 0 325.315 3.198 10 5 EGBERN CC(C)(C)n1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)n1 ZINC001329297551 1389054553 /nfs/dbraw/zinc/05/45/53/1389054553.db2.gz OHUSEELGXSQLBY-UHFFFAOYSA-N 0 0 343.343 3.175 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001329993649 1389280700 /nfs/dbraw/zinc/28/07/00/1389280700.db2.gz BXXXDOASHVFSOW-CKQAKLJMSA-N 0 0 339.342 3.451 10 5 EGBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC001331587715 1389815516 /nfs/dbraw/zinc/81/55/16/1389815516.db2.gz JOVJLXMJWPADQY-WFASDCNBSA-N 0 0 328.368 3.388 10 5 EGBERN O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331914522 1389908551 /nfs/dbraw/zinc/90/85/51/1389908551.db2.gz HWSINFYKWOBEQS-QGZVFWFLSA-N 0 0 342.782 3.473 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC001332478475 1390126544 /nfs/dbraw/zinc/12/65/44/1390126544.db2.gz PFZRZLPBLGACQX-LBPRGKRZSA-N 0 0 348.790 3.002 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2nccs2)C1 ZINC001332732543 1390172735 /nfs/dbraw/zinc/17/27/35/1390172735.db2.gz CFEMIXMYUQRPCP-JTQLQIEISA-N 0 0 335.360 3.129 10 5 EGBERN Cn1cc([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001342193760 1390583809 /nfs/dbraw/zinc/58/38/09/1390583809.db2.gz AATCEKUUBCSTRB-INIZCTEOSA-N 0 0 328.397 3.269 10 5 EGBERN CS(=O)(=O)C1(CSc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001335137348 1390647636 /nfs/dbraw/zinc/64/76/36/1390647636.db2.gz JSXTZXPEAQRRAT-UHFFFAOYSA-N 0 0 329.443 3.434 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1NC(=O)c1cccs1 ZINC001344401080 1390788907 /nfs/dbraw/zinc/78/89/07/1390788907.db2.gz ATPHMRNOVRNNRJ-LLVKDONJSA-N 0 0 348.380 3.213 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001344839011 1390818302 /nfs/dbraw/zinc/81/83/02/1390818302.db2.gz LKVWGOZRISFMQG-UIBIWLFHSA-N 0 0 331.368 3.201 10 5 EGBERN CC(C)(COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])n1ccnc1 ZINC001345250112 1390851565 /nfs/dbraw/zinc/85/15/65/1390851565.db2.gz AGORQZVLKQSKRQ-UHFFFAOYSA-N 0 0 331.372 3.047 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001345304789 1390854074 /nfs/dbraw/zinc/85/40/74/1390854074.db2.gz UEIHPEVUSRAGBQ-IUODEOHRSA-N 0 0 349.387 3.026 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001345651819 1390872160 /nfs/dbraw/zinc/87/21/60/1390872160.db2.gz AJXJKEPNEZRIBT-LSDHHAIUSA-N 0 0 339.413 3.291 10 5 EGBERN COc1c(C(=O)OCC(C)(C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC001345703164 1390877952 /nfs/dbraw/zinc/87/79/52/1390877952.db2.gz XVSXGMDYANKJIP-UHFFFAOYSA-N 0 0 337.372 3.213 10 5 EGBERN Cc1cc(NC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC001345954236 1390897114 /nfs/dbraw/zinc/89/71/14/1390897114.db2.gz ROMPURXUORZWCA-ZUZCIYMTSA-N 0 0 343.330 3.180 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001346465684 1390942616 /nfs/dbraw/zinc/94/26/16/1390942616.db2.gz UFFQBGGUNRNUEO-AWEZNQCLSA-N 0 0 329.356 3.066 10 5 EGBERN C[C@@H]1Cc2cnccc2N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001347376693 1391063758 /nfs/dbraw/zinc/06/37/58/1391063758.db2.gz RYKTZBIGXCENRO-LLVKDONJSA-N 0 0 329.331 3.039 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001347430811 1391074540 /nfs/dbraw/zinc/07/45/40/1391074540.db2.gz QLCHJXYIURMQMF-VIFPVBQESA-N 0 0 342.323 3.300 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001347430805 1391074726 /nfs/dbraw/zinc/07/47/26/1391074726.db2.gz QLCHJXYIURMQMF-SECBINFHSA-N 0 0 342.323 3.300 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001347701025 1391112599 /nfs/dbraw/zinc/11/25/99/1391112599.db2.gz RTZTVXRXVYPPRQ-RKDXNWHRSA-N 0 0 330.743 3.027 10 5 EGBERN CC12CC(C1)CN2c1nnc(-c2csc([N+](=O)[O-])c2)n1CC1CC1 ZINC001347807928 1391127756 /nfs/dbraw/zinc/12/77/56/1391127756.db2.gz MFHFMJYQSJAQIC-UHFFFAOYSA-N 0 0 345.428 3.314 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001347835680 1391132641 /nfs/dbraw/zinc/13/26/41/1391132641.db2.gz XNGJGOQWUWFPBC-KXUCPTDWSA-N 0 0 330.718 3.412 10 5 EGBERN COC/C(C)=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001347928227 1391147653 /nfs/dbraw/zinc/14/76/53/1391147653.db2.gz LKINXCLXELYBJE-UXBLZVDNSA-N 0 0 333.369 3.250 10 5 EGBERN CCS[C@@H](C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC001347948708 1391150277 /nfs/dbraw/zinc/15/02/77/1391150277.db2.gz KZZFYEJEWMSLGK-CQSZACIVSA-N 0 0 341.385 3.049 10 5 EGBERN C[Si](C)(C)c1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001348467978 1391223720 /nfs/dbraw/zinc/22/37/20/1391223720.db2.gz WACLNMZHIHQEKL-UHFFFAOYSA-N 0 0 328.444 3.321 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001348808133 1391269898 /nfs/dbraw/zinc/26/98/98/1391269898.db2.gz JIANYUWSWGNQHW-RISCZKNCSA-N 0 0 346.408 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1ccc(C(C)(C)C)cc1C ZINC001349057758 1391299449 /nfs/dbraw/zinc/29/94/49/1391299449.db2.gz RBNGPJXEIUBOKQ-UHFFFAOYSA-N 0 0 331.372 3.311 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001349776290 1391365869 /nfs/dbraw/zinc/36/58/69/1391365869.db2.gz GSAKNSSTFPRYRJ-OAHLLOKOSA-N 0 0 343.383 3.155 10 5 EGBERN C[C@@H](OCCc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001349887296 1391381248 /nfs/dbraw/zinc/38/12/48/1391381248.db2.gz WAOPINPEHARKHP-GFCCVEGCSA-N 0 0 332.331 3.320 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001349950348 1391389801 /nfs/dbraw/zinc/38/98/01/1391389801.db2.gz BVOTVWRTNVHFKE-ZDUSSCGKSA-N 0 0 328.324 3.072 10 5 EGBERN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001349951217 1391390374 /nfs/dbraw/zinc/39/03/74/1391390374.db2.gz NAVJLEVYYASHJI-UHFFFAOYSA-N 0 0 342.355 3.227 10 5 EGBERN COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC001350012166 1391398111 /nfs/dbraw/zinc/39/81/11/1391398111.db2.gz AAUMKQRZNWJMQT-UHFFFAOYSA-N 0 0 329.308 3.047 10 5 EGBERN CN(C)c1ncc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001350012553 1391398244 /nfs/dbraw/zinc/39/82/44/1391398244.db2.gz LJBJZHCUMFLJIS-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN Cc1c(NC(=O)c2cnc(-c3ccccn3)nc2)cccc1[N+](=O)[O-] ZINC001350397548 1391458440 /nfs/dbraw/zinc/45/84/40/1391458440.db2.gz VJFMNFHNIPDVSP-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc1C ZINC001350420871 1391461807 /nfs/dbraw/zinc/46/18/07/1391461807.db2.gz DHEYWJOSWNBLNR-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN COC(=O)c1ccc(OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001350477921 1391468966 /nfs/dbraw/zinc/46/89/66/1391468966.db2.gz NJFNGWZWNSZUHK-UHFFFAOYSA-N 0 0 347.298 3.059 10 5 EGBERN COc1ccc(OC)c(COC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001350755689 1391525734 /nfs/dbraw/zinc/52/57/34/1391525734.db2.gz POVYZHBIDGZBMB-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CCOc1ccccc1OC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001351276865 1391620017 /nfs/dbraw/zinc/62/00/17/1391620017.db2.gz KEMLKTYWHKHYDD-UHFFFAOYSA-N 0 0 335.287 3.360 10 5 EGBERN CN(C(=O)c1ccc(N=S(C)(C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001351684563 1391669993 /nfs/dbraw/zinc/66/99/93/1391669993.db2.gz QDBSSGQAKFEFHT-UHFFFAOYSA-N 0 0 347.396 3.231 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1Cl ZINC001352484344 1391803137 /nfs/dbraw/zinc/80/31/37/1391803137.db2.gz KWTQWUZLMDREBS-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC001352704724 1391835001 /nfs/dbraw/zinc/83/50/01/1391835001.db2.gz ULDRJAWCDRQONT-UHFFFAOYSA-N 0 0 333.275 3.213 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC001352895007 1391873634 /nfs/dbraw/zinc/87/36/34/1391873634.db2.gz DIKRDQUZYIFVFQ-INIZCTEOSA-N 0 0 326.308 3.002 10 5 EGBERN COC(=O)c1cc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c(C)o1 ZINC001353346980 1391993569 /nfs/dbraw/zinc/99/35/69/1391993569.db2.gz FYRLCFMBMILNEZ-UHFFFAOYSA-N 0 0 333.296 3.119 10 5 EGBERN COc1ccccc1C(=O)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001353346551 1391993711 /nfs/dbraw/zinc/99/37/11/1391993711.db2.gz CVQFVAYZDQYENH-UHFFFAOYSA-N 0 0 329.308 3.009 10 5 EGBERN C[C@H]1SCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@@H]1C ZINC001353546420 1392036683 /nfs/dbraw/zinc/03/66/83/1392036683.db2.gz PSDRGHZQKSMZIK-GHMZBOCLSA-N 0 0 345.424 3.296 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C1CC1 ZINC001353619408 1392052245 /nfs/dbraw/zinc/05/22/45/1392052245.db2.gz LIMYKELPHFCJPP-LSDHHAIUSA-N 0 0 331.416 3.339 10 5 EGBERN C/C=C/COc1cccc(CC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001353681769 1392066725 /nfs/dbraw/zinc/06/67/25/1392066725.db2.gz NEGQJLBOBIUDKN-NSCUHMNNSA-N 0 0 340.379 3.409 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cscc2Cl)cc([N+](=O)[O-])c1 ZINC001353990889 1392111753 /nfs/dbraw/zinc/11/17/53/1392111753.db2.gz WYKFIRVPCIDREJ-UHFFFAOYSA-N 0 0 340.744 3.349 10 5 EGBERN COC(=O)c1cc(NC(=O)Cc2cc(C)ccc2F)cc([N+](=O)[O-])c1 ZINC001353989727 1392111767 /nfs/dbraw/zinc/11/17/67/1392111767.db2.gz MRFZFTWVFFSTLD-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nn1 ZINC001353998703 1392113103 /nfs/dbraw/zinc/11/31/03/1392113103.db2.gz KJKOKGWGBOUDOQ-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CO[C@]1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001354361676 1392140176 /nfs/dbraw/zinc/14/01/76/1392140176.db2.gz CWLROCYMWCSHRI-CZUORRHYSA-N 0 0 338.429 3.250 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCOc1cccc(F)c1 ZINC001354484426 1392147335 /nfs/dbraw/zinc/14/73/35/1392147335.db2.gz TTYFATSKVNYHDE-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1ccc(NC(=O)COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001354709813 1392163028 /nfs/dbraw/zinc/16/30/28/1392163028.db2.gz BLKQZQASBVBLQC-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN CCC(CC)N(CCOC)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354802607 1392170272 /nfs/dbraw/zinc/17/02/72/1392170272.db2.gz UBUIZWOKYGPZJS-IRXDYDNUSA-N 0 0 334.416 3.362 10 5 EGBERN Cc1ccc(N(C)CCNC(=O)C(C)(C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC001689820578 1404160318 /nfs/dbraw/zinc/16/03/18/1404160318.db2.gz VEEMRVBXSWOTQI-UHFFFAOYSA-N 0 0 343.374 3.137 10 5 EGBERN CN(CCNC(=O)c1cc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC001690214971 1404422029 /nfs/dbraw/zinc/42/20/29/1404422029.db2.gz NDFOYRJRIXYDGC-UHFFFAOYSA-N 0 0 339.804 3.176 10 5 EGBERN CC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001732134047 1428380777 /nfs/dbraw/zinc/38/07/77/1428380777.db2.gz OUWKVUXGCJPYGP-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN Cc1cscc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001715794460 1420346320 /nfs/dbraw/zinc/34/63/20/1420346320.db2.gz UNCRWLDRDCXCIZ-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN O=C(CC1CCC1)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001725814333 1426490590 /nfs/dbraw/zinc/49/05/90/1426490590.db2.gz WXIJDKBCCXYTEX-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN CN(CCCNC(=O)/C=C\C(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001731232475 1427191476 /nfs/dbraw/zinc/19/14/76/1427191476.db2.gz GOFYRWFYTDSBMD-SREVYHEPSA-N 0 0 339.461 3.197 10 5 EGBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C ZINC001743018117 1439535366 /nfs/dbraw/zinc/53/53/66/1439535366.db2.gz STIOQHCRQNSPGT-XUJVJEKNSA-N 0 0 327.388 3.423 10 5 EGBERN Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1[C@@H]1C[C@H]1CF ZINC001762529774 1441376351 /nfs/dbraw/zinc/37/63/51/1441376351.db2.gz WDFPORWJTQMXAE-XJKSGUPXSA-N 0 0 345.378 3.194 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001762757767 1441378139 /nfs/dbraw/zinc/37/81/39/1441378139.db2.gz CSCRHPLJVHLBLA-IUODEOHRSA-N 0 0 341.415 3.356 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000171804313 529468658 /nfs/dbraw/zinc/46/86/58/529468658.db2.gz SCFRUBADOBRPJI-SSDOTTSWSA-N 0 0 340.742 3.164 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000187349499 529518774 /nfs/dbraw/zinc/51/87/74/529518774.db2.gz FMGQCSFMYIPFQF-GJZGRUSLSA-N 0 0 347.371 3.062 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129933458 529638606 /nfs/dbraw/zinc/63/86/06/529638606.db2.gz WBVDLIGBUHFDKD-UKRRQHHQSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(CC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181282162 529677586 /nfs/dbraw/zinc/67/75/86/529677586.db2.gz PEYXZXADCDVAPA-MRXNPFEDSA-N 0 0 330.388 3.328 10 5 EGBERN Cc1nn(C)c(N2CCn3c(cc4cc(Cl)ccc43)C2)c1[N+](=O)[O-] ZINC000373798868 282272259 /nfs/dbraw/zinc/27/22/59/282272259.db2.gz GCHKVCQSGXDMEF-UHFFFAOYSA-N 0 0 345.790 3.265 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000064332167 214782940 /nfs/dbraw/zinc/78/29/40/214782940.db2.gz BPISERGRFLJHQM-OAHLLOKOSA-N 0 0 330.388 3.003 10 5 EGBERN Cc1noc(COc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000115524787 282400112 /nfs/dbraw/zinc/40/01/12/282400112.db2.gz ITRPDPBCEZDPQI-UHFFFAOYSA-N 0 0 341.323 3.444 10 5 EGBERN O=[N+]([O-])c1c(NNc2ccccc2)[nH]cnc1=NNc1ccccc1 ZINC000040624364 213360045 /nfs/dbraw/zinc/36/00/45/213360045.db2.gz VSNMOWHYRFSVGN-UHFFFAOYSA-N 0 0 337.343 3.263 10 5 EGBERN CCc1ccc(Nc2ncnc(-n3nc(C)cc3C)c2[N+](=O)[O-])cc1 ZINC000040587424 213355465 /nfs/dbraw/zinc/35/54/65/213355465.db2.gz OTLJKCQAHZFPNV-UHFFFAOYSA-N 0 0 338.371 3.493 10 5 EGBERN Cc1nn(C)c(C(=O)Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040556325 213351361 /nfs/dbraw/zinc/35/13/61/213351361.db2.gz YAAXZJDOXNYUSH-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN C[C@H](CC[C@@H]1CCCO1)NC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000069415817 215403836 /nfs/dbraw/zinc/40/38/36/215403836.db2.gz FSAGSSRDFNASKU-CJNGLKHVSA-N 0 0 349.431 3.249 10 5 EGBERN CC(C)c1nc2cc(NC(=O)CCn3cnc([N+](=O)[O-])c3)ccc2o1 ZINC000040081715 213259572 /nfs/dbraw/zinc/25/95/72/213259572.db2.gz UHCKMCJYXCTRSX-UHFFFAOYSA-N 0 0 343.343 3.085 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000152081141 223906869 /nfs/dbraw/zinc/90/68/69/223906869.db2.gz ICWXKUSQJOWYQO-HUUCEWRRSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000376868776 295923311 /nfs/dbraw/zinc/92/33/11/295923311.db2.gz HBYZIBFVFVBVFK-CQSZACIVSA-N 0 0 340.257 3.322 10 5 EGBERN COC1CCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037250487 213136623 /nfs/dbraw/zinc/13/66/23/213136623.db2.gz QSECOQJXMLXMTH-UHFFFAOYSA-N 0 0 333.171 3.153 10 5 EGBERN Nc1c2cc([N+](=O)[O-])ccc2oc1C(=O)Nc1ccc(Cl)cn1 ZINC000147317025 283654468 /nfs/dbraw/zinc/65/44/68/283654468.db2.gz QZPUHKJMCJNTKE-UHFFFAOYSA-N 0 0 332.703 3.224 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000191348330 239057880 /nfs/dbraw/zinc/05/78/80/239057880.db2.gz WIVCRXQZPZPWHZ-CYBMUJFWSA-N 0 0 344.375 3.089 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nccs3)cc2)n1 ZINC000191465803 239128887 /nfs/dbraw/zinc/12/88/87/239128887.db2.gz QTFXBGSBKBPXCR-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN Cc1cc(NCCc2ccc(Br)o2)ncc1[N+](=O)[O-] ZINC000132117237 223301600 /nfs/dbraw/zinc/30/16/00/223301600.db2.gz LBFLHZDIJMJJAT-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192078356 239493111 /nfs/dbraw/zinc/49/31/11/239493111.db2.gz AMUDHPPSRNTKEU-INIZCTEOSA-N 0 0 326.352 3.339 10 5 EGBERN O=C(NCCCOC(F)F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225760920 242022636 /nfs/dbraw/zinc/02/26/36/242022636.db2.gz AZUQHOSTLSLGCR-UHFFFAOYSA-N 0 0 340.282 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC000134024268 223465794 /nfs/dbraw/zinc/46/57/94/223465794.db2.gz SSVKRSAAVRRSMB-BXUZGUMPSA-N 0 0 334.397 3.207 10 5 EGBERN Cc1ccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000077223286 216857313 /nfs/dbraw/zinc/85/73/13/216857313.db2.gz DAQWKGQJJMVHLJ-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375471030 168804640 /nfs/dbraw/zinc/80/46/40/168804640.db2.gz PIZUSMCBQJCQOJ-QGZVFWFLSA-N 0 0 349.387 3.028 10 5 EGBERN COc1ccccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000019179752 212002661 /nfs/dbraw/zinc/00/26/61/212002661.db2.gz KRADTQFTNQZWBG-UHFFFAOYSA-N 0 0 329.356 3.434 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CSc1nnnn1-c1ccccc1 ZINC000078411946 217049998 /nfs/dbraw/zinc/04/99/98/217049998.db2.gz VHKYPLLYKPSEMP-UHFFFAOYSA-N 0 0 331.332 3.002 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000078935708 217151404 /nfs/dbraw/zinc/15/14/04/217151404.db2.gz UCQCLLALQANMEO-AEFFLSMTSA-N 0 0 340.379 3.323 10 5 EGBERN Cc1nn(CCC(=O)N(C)[C@@H](C)c2ccccc2C)c(C)c1[N+](=O)[O-] ZINC000263669385 245507087 /nfs/dbraw/zinc/50/70/87/245507087.db2.gz LVUDYDUKGGOUIJ-AWEZNQCLSA-N 0 0 344.415 3.326 10 5 EGBERN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000080317640 217298358 /nfs/dbraw/zinc/29/83/58/217298358.db2.gz GBINEYYUWSWDTK-AWEZNQCLSA-N 0 0 342.399 3.036 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000408372878 296219293 /nfs/dbraw/zinc/21/92/93/296219293.db2.gz BTBKDGNLXVVZFQ-ZFWWWQNUSA-N 0 0 329.400 3.210 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266033265 248050097 /nfs/dbraw/zinc/05/00/97/248050097.db2.gz MYSHYUNBHWJOAE-INIZCTEOSA-N 0 0 326.352 3.004 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373466520 296254576 /nfs/dbraw/zinc/25/45/76/296254576.db2.gz PSGFWTJHPCNPIK-IBGZPJMESA-N 0 0 338.363 3.257 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000408203904 169164784 /nfs/dbraw/zinc/16/47/84/169164784.db2.gz FMKGMOWXIRXUPS-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000408205491 169164975 /nfs/dbraw/zinc/16/49/75/169164975.db2.gz KGMOYWQHZQZSCM-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN C[C@@H]1N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC12CCOCC2 ZINC000408197350 169165114 /nfs/dbraw/zinc/16/51/14/169165114.db2.gz IAHAFJDAGCFTMD-LBPRGKRZSA-N 0 0 343.383 3.107 10 5 EGBERN COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009725241 211119317 /nfs/dbraw/zinc/11/93/17/211119317.db2.gz NAIUPMHFFIEQBN-UHFFFAOYSA-N 0 0 334.715 3.287 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2nccn2C(F)F)C2CC2)c(Cl)c1 ZINC000095398901 218331837 /nfs/dbraw/zinc/33/18/37/218331837.db2.gz NVPDOJQVQVUHLH-UHFFFAOYSA-N 0 0 343.721 3.404 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000095974537 218478866 /nfs/dbraw/zinc/47/88/66/218478866.db2.gz FBTLRJQHOQWAIU-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000192402889 284914023 /nfs/dbraw/zinc/91/40/23/284914023.db2.gz JPPCDTFRCPEBTH-ZDUSSCGKSA-N 0 0 331.715 3.046 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000152902250 224028970 /nfs/dbraw/zinc/02/89/70/224028970.db2.gz MSQHBDDQMOPYTR-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613227 285112069 /nfs/dbraw/zinc/11/20/69/285112069.db2.gz LXJFGVRQMKNJRZ-SNVBAGLBSA-N 0 0 333.266 3.277 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOCC3(CC3)C2)nc1-c1ccc(F)cc1 ZINC000362361424 285126901 /nfs/dbraw/zinc/12/69/01/285126901.db2.gz XNXIKEHDKVKVMT-UHFFFAOYSA-N 0 0 343.358 3.413 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(c2ccccc2)CCCC1 ZINC000097220589 218998232 /nfs/dbraw/zinc/99/82/32/218998232.db2.gz PJGXUBGKGXFZBR-UHFFFAOYSA-N 0 0 340.383 3.013 10 5 EGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)COC1 ZINC000112620201 220358140 /nfs/dbraw/zinc/35/81/40/220358140.db2.gz NGELGUCGMICBKS-UHFFFAOYSA-N 0 0 342.351 3.153 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000344780907 291906079 /nfs/dbraw/zinc/90/60/79/291906079.db2.gz UDCCCOJYAWDFKF-ZDUSSCGKSA-N 0 0 340.807 3.444 10 5 EGBERN C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC000173761165 533176510 /nfs/dbraw/zinc/17/65/10/533176510.db2.gz VKKAXFAOBCWKAI-LLVKDONJSA-N 0 0 333.775 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323726 255564703 /nfs/dbraw/zinc/56/47/03/255564703.db2.gz JZVDHUAKPPQCCV-LBPRGKRZSA-N 0 0 338.429 3.460 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119076064 221238379 /nfs/dbraw/zinc/23/83/79/221238379.db2.gz HJGCVLYDNYPZIJ-GOSISDBHSA-N 0 0 328.368 3.177 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000156094215 224541342 /nfs/dbraw/zinc/54/13/42/224541342.db2.gz SESYMLMKABQROG-UHFFFAOYSA-N 0 0 333.413 3.303 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375384256 533405892 /nfs/dbraw/zinc/40/58/92/533405892.db2.gz LJSLWVAVPUZUEM-BJRSVTDJSA-N 0 0 330.384 3.027 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](c4ccsc4)C3)c21 ZINC000347407080 296513334 /nfs/dbraw/zinc/51/33/34/296513334.db2.gz KOGRCODVSIAGHU-CQSZACIVSA-N 0 0 342.380 3.177 10 5 EGBERN CO[C@@H](C)c1nsc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000337851390 141067048 /nfs/dbraw/zinc/06/70/48/141067048.db2.gz FUNGJDXMKNBDOG-JTQLQIEISA-N 0 0 334.401 3.323 10 5 EGBERN Cc1ccccc1OCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338044818 141080262 /nfs/dbraw/zinc/08/02/62/141080262.db2.gz WWWXDLYLJIIQTD-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN COC(=O)CC1(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCCC1 ZINC000338057999 141084473 /nfs/dbraw/zinc/08/44/73/141084473.db2.gz VGLFYPYBVSKUGH-UHFFFAOYSA-N 0 0 348.399 3.324 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338095692 141092794 /nfs/dbraw/zinc/09/27/94/141092794.db2.gz OPNMEHYESYITAT-OAHLLOKOSA-N 0 0 330.315 3.160 10 5 EGBERN CC(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000341229053 141141397 /nfs/dbraw/zinc/14/13/97/141141397.db2.gz NYKXIXURZVZMOU-UHFFFAOYSA-N 0 0 349.416 3.030 10 5 EGBERN COc1cc(NCC2([C@@H](C)CCO)CCC2)c([N+](=O)[O-])cc1F ZINC000342792378 141148080 /nfs/dbraw/zinc/14/80/80/141148080.db2.gz WFYGFSPQHBSUFQ-NSHDSACASA-N 0 0 326.368 3.343 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353456063 141300506 /nfs/dbraw/zinc/30/05/06/141300506.db2.gz SRECZQIBCUFNOI-UHFFFAOYSA-N 0 0 345.330 3.123 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H]2c2csc(C)n2)cccc1[N+](=O)[O-] ZINC000356816242 141347740 /nfs/dbraw/zinc/34/77/40/141347740.db2.gz CFSZBZDHTOVYOM-CYBMUJFWSA-N 0 0 347.396 3.346 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000356843242 141353301 /nfs/dbraw/zinc/35/33/01/141353301.db2.gz UYQFUXPCIGBVDM-ZETCQYMHSA-N 0 0 337.304 3.146 10 5 EGBERN Cc1cc(C(=O)N2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000162388396 142595755 /nfs/dbraw/zinc/59/57/55/142595755.db2.gz YJSFUFOHKYQEFP-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccccc1 ZINC000340097715 142628267 /nfs/dbraw/zinc/62/82/67/142628267.db2.gz LXGWUDCBLWDMGM-FUHWJXTLSA-N 0 0 335.363 3.291 10 5 EGBERN COc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C)cc1OC ZINC000170982042 144000329 /nfs/dbraw/zinc/00/03/29/144000329.db2.gz QRZUGMXZUSRIKL-LBPRGKRZSA-N 0 0 331.372 3.359 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccn2)CC1 ZINC000171613328 144007696 /nfs/dbraw/zinc/00/76/96/144007696.db2.gz KIGNNVQRGJJSOE-UHFFFAOYSA-N 0 0 325.368 3.085 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000171644031 144008883 /nfs/dbraw/zinc/00/88/83/144008883.db2.gz LWDMKSNNIOTGMF-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000344634407 144202932 /nfs/dbraw/zinc/20/29/32/144202932.db2.gz KIMMECMZTIJTRN-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN COc1cc(COc2ccc(-c3nnco3)cc2)ccc1[N+](=O)[O-] ZINC000351826053 144312573 /nfs/dbraw/zinc/31/25/73/144312573.db2.gz ADVNCHJTRBZBPV-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN Cc1nnc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000351930257 144321054 /nfs/dbraw/zinc/32/10/54/144321054.db2.gz DUUCXSRYADKTLA-VIFPVBQESA-N 0 0 346.391 3.202 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361599866 144335340 /nfs/dbraw/zinc/33/53/40/144335340.db2.gz HGFFJLPHBZJLCP-UHFFFAOYSA-N 0 0 347.802 3.343 10 5 EGBERN COc1cc(N2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000374679277 144553940 /nfs/dbraw/zinc/55/39/40/144553940.db2.gz NCURTEUUKRUNJO-CYBMUJFWSA-N 0 0 331.347 3.207 10 5 EGBERN COc1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000341452239 155299055 /nfs/dbraw/zinc/29/90/55/155299055.db2.gz KUKQSJYDXTZIAQ-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000119664462 152222085 /nfs/dbraw/zinc/22/20/85/152222085.db2.gz CLHVVOHXFIMUFR-SNVBAGLBSA-N 0 0 333.775 3.198 10 5 EGBERN COc1cc(NCCC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000154493075 152587269 /nfs/dbraw/zinc/58/72/69/152587269.db2.gz GSLGTBRMXLFDPJ-XHDPSFHLSA-N 0 0 326.368 3.486 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000176130579 152908048 /nfs/dbraw/zinc/90/80/48/152908048.db2.gz ABLRFJQLZFZYMJ-LLVKDONJSA-N 0 0 349.412 3.040 10 5 EGBERN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000190100676 153116993 /nfs/dbraw/zinc/11/69/93/153116993.db2.gz XBFYMECSYWIIJL-UHFFFAOYSA-N 0 0 343.383 3.325 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000190162251 153121169 /nfs/dbraw/zinc/12/11/69/153121169.db2.gz OYOVQAQXQGDDMS-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000191919965 153231252 /nfs/dbraw/zinc/23/12/52/153231252.db2.gz OQEKDSCFFXEQOV-UHFFFAOYSA-N 0 0 330.344 3.043 10 5 EGBERN Nc1nccc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000192757540 153257885 /nfs/dbraw/zinc/25/78/85/153257885.db2.gz LYFUBRKQFFEVLX-JTQLQIEISA-N 0 0 333.779 3.004 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1nc2ccccc2n1C1CC1 ZINC000192769286 153259006 /nfs/dbraw/zinc/25/90/06/153259006.db2.gz FRZKNUQUZCIBEC-UHFFFAOYSA-N 0 0 340.387 3.416 10 5 EGBERN CN1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000195312703 153394671 /nfs/dbraw/zinc/39/46/71/153394671.db2.gz XOTJFDFDXYGGRO-GFCCVEGCSA-N 0 0 343.358 3.087 10 5 EGBERN CNC(=O)c1ccc(NCCc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000336897132 154234272 /nfs/dbraw/zinc/23/42/72/154234272.db2.gz ODNQKJFLDMDYIT-UHFFFAOYSA-N 0 0 338.367 3.090 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1coc(C2CCCC2)n1 ZINC000337790037 154542719 /nfs/dbraw/zinc/54/27/19/154542719.db2.gz BUZWQEBTPWLOAH-UHFFFAOYSA-N 0 0 329.356 3.213 10 5 EGBERN CCN(CC)C(=O)CCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341713607 155441950 /nfs/dbraw/zinc/44/19/50/155441950.db2.gz LYKKQWWCXKZQDB-UHFFFAOYSA-N 0 0 349.431 3.479 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000339212503 154756223 /nfs/dbraw/zinc/75/62/23/154756223.db2.gz AKGRHGZGVFYEEA-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000340067816 155087538 /nfs/dbraw/zinc/08/75/38/155087538.db2.gz UISYPBVQAMISRZ-CQSZACIVSA-N 0 0 331.372 3.352 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000341012276 155123838 /nfs/dbraw/zinc/12/38/38/155123838.db2.gz FDRMUAQAHHZREG-GFCCVEGCSA-N 0 0 331.372 3.317 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346961519 156217135 /nfs/dbraw/zinc/21/71/35/156217135.db2.gz WVBDHOYIDLQAFW-GFCCVEGCSA-N 0 0 334.294 3.310 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc2c(c1)CCO2 ZINC000348934397 156293189 /nfs/dbraw/zinc/29/31/89/156293189.db2.gz FNMZYSGGGHYDAU-GFCCVEGCSA-N 0 0 338.363 3.050 10 5 EGBERN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2F)N1C1CC1 ZINC000349158845 156370987 /nfs/dbraw/zinc/37/09/87/156370987.db2.gz KGUDCDCXJPXRPG-INIZCTEOSA-N 0 0 327.315 3.463 10 5 EGBERN COCCCCc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000356363048 156653784 /nfs/dbraw/zinc/65/37/84/156653784.db2.gz LUDRFOQGYFVFRJ-UHFFFAOYSA-N 0 0 343.286 3.215 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356466963 156704842 /nfs/dbraw/zinc/70/48/42/156704842.db2.gz BLJQURNORVXQCO-BBRMVZONSA-N 0 0 332.381 3.125 10 5 EGBERN CCOc1cccc(NCCc2cnc(C3CC3)nc2)c1[N+](=O)[O-] ZINC000358326586 156808707 /nfs/dbraw/zinc/80/87/07/156808707.db2.gz DFEAHLZEGNKOHY-UHFFFAOYSA-N 0 0 328.372 3.316 10 5 EGBERN CCOc1ccc(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897301 161659107 /nfs/dbraw/zinc/65/91/07/161659107.db2.gz PEDYIMAJLSEYIO-STQMWFEESA-N 0 0 335.404 3.052 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077780111 161750609 /nfs/dbraw/zinc/75/06/09/161750609.db2.gz UFBAVCBXZJCWFN-SUMWQHHRSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1c[nH+]ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000112496663 162179041 /nfs/dbraw/zinc/17/90/41/162179041.db2.gz KOKGAIGOEOESTM-UHFFFAOYSA-N 0 0 341.776 3.061 10 5 EGBERN Cc1ncsc1-c1nc(COc2cc(C)ccc2[N+](=O)[O-])no1 ZINC000125690486 162285119 /nfs/dbraw/zinc/28/51/19/162285119.db2.gz PPAACHAISLXBJV-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125703054 162285174 /nfs/dbraw/zinc/28/51/74/162285174.db2.gz JQUWRUYLGUWXCE-UKRRQHHQSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(c1cnc2cnccc2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336966891 163096080 /nfs/dbraw/zinc/09/60/80/163096080.db2.gz LDKDQJJGNMVCPZ-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN CCCc1occc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000337095351 163127859 /nfs/dbraw/zinc/12/78/59/163127859.db2.gz NLTWKFYLQJJARJ-UHFFFAOYSA-N 0 0 330.340 3.044 10 5 EGBERN COc1cccc(NCC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000337243786 163177170 /nfs/dbraw/zinc/17/71/70/163177170.db2.gz HXYPZZHWBXRMEW-LBPRGKRZSA-N 0 0 330.340 3.245 10 5 EGBERN COC(=O)c1csc(Sc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000338814448 163354887 /nfs/dbraw/zinc/35/48/87/163354887.db2.gz NKJVBQKNSZXWNY-UHFFFAOYSA-N 0 0 331.762 3.038 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1(c2ccccc2)CC1 ZINC000340770500 163664429 /nfs/dbraw/zinc/66/44/29/163664429.db2.gz BTLOJUGIGXWYSW-UHFFFAOYSA-N 0 0 346.333 3.264 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1Cc2ccccc2[C@H]1C ZINC000340825642 163673489 /nfs/dbraw/zinc/67/34/89/163673489.db2.gz OIZMRRSOYOIEPF-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnc(CC2CC2)nc1 ZINC000341840096 163722620 /nfs/dbraw/zinc/72/26/20/163722620.db2.gz NIGGZZAXTDVYBN-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN CCSc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000343643445 164002448 /nfs/dbraw/zinc/00/24/48/164002448.db2.gz DMXUFYWQDUKCCE-UHFFFAOYSA-N 0 0 331.397 3.340 10 5 EGBERN Nc1c(F)c(N2CCCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000343914823 164064775 /nfs/dbraw/zinc/06/47/75/164064775.db2.gz PBWWHGOLXFHTFB-UHFFFAOYSA-N 0 0 348.353 3.172 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cncc1F ZINC000344164600 164117870 /nfs/dbraw/zinc/11/78/70/164117870.db2.gz AFZCWUXOHQBTNX-MRVPVSSYSA-N 0 0 346.293 3.240 10 5 EGBERN CN(C(=O)CO[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000344215633 164128723 /nfs/dbraw/zinc/12/87/23/164128723.db2.gz NVMBRLJKOADPTR-INIZCTEOSA-N 0 0 341.367 3.047 10 5 EGBERN CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344221701 164129955 /nfs/dbraw/zinc/12/99/55/164129955.db2.gz ORIIWIJFCXZBFS-UHFFFAOYSA-N 0 0 340.314 3.196 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)cc1[N+](=O)[O-] ZINC000344344013 164160893 /nfs/dbraw/zinc/16/08/93/164160893.db2.gz LSDNXCDGSQCXMR-UHFFFAOYSA-N 0 0 347.331 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(N(Cc2ccccc2)CC2CCOCC2)cn1 ZINC000344441341 164179237 /nfs/dbraw/zinc/17/92/37/164179237.db2.gz WFIAUXIXAVNBMM-UHFFFAOYSA-N 0 0 327.384 3.423 10 5 EGBERN CCOc1cc(C(=O)NCCC2(F)CCC2)c([N+](=O)[O-])cc1OC ZINC000345753515 164258864 /nfs/dbraw/zinc/25/88/64/164258864.db2.gz QIODUSULYJZXNI-UHFFFAOYSA-N 0 0 340.351 3.014 10 5 EGBERN C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ncccc1F ZINC000345771619 164262958 /nfs/dbraw/zinc/26/29/58/164262958.db2.gz FYTUGEORMQKXSI-LLVKDONJSA-N 0 0 331.347 3.284 10 5 EGBERN COc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000346672546 164414252 /nfs/dbraw/zinc/41/42/52/164414252.db2.gz QYMVASQYAWVDRX-UHFFFAOYSA-N 0 0 343.383 3.026 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347075252 164441245 /nfs/dbraw/zinc/44/12/45/164441245.db2.gz ALGFEPDCDRHUOJ-KZULUSFZSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1nccc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000347147421 164451713 /nfs/dbraw/zinc/45/17/13/164451713.db2.gz BPHQTBNUWNZYJW-UHFFFAOYSA-N 0 0 343.387 3.312 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000354870323 166052081 /nfs/dbraw/zinc/05/20/81/166052081.db2.gz UBHUNLROEIGBKC-SECBINFHSA-N 0 0 335.335 3.013 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccn(C2CCCCC2)n1 ZINC000348318632 164707411 /nfs/dbraw/zinc/70/74/11/164707411.db2.gz IPYKORZVNIDBJR-UHFFFAOYSA-N 0 0 342.399 3.269 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000349182047 164835203 /nfs/dbraw/zinc/83/52/03/164835203.db2.gz UNQUJECKISYVOP-TZMCWYRMSA-N 0 0 346.362 3.016 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(O)c2ccccc2c1 ZINC000350667189 165066172 /nfs/dbraw/zinc/06/61/72/165066172.db2.gz BARVKCYMIYOXKA-UHFFFAOYSA-N 0 0 348.318 3.004 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-n2cccc2)ccn1 ZINC000350893840 165077887 /nfs/dbraw/zinc/07/78/87/165077887.db2.gz KBBNDIDCWPVHTC-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000351679013 165128944 /nfs/dbraw/zinc/12/89/44/165128944.db2.gz LEEWVBSOHWFOGE-DGCLKSJQSA-N 0 0 338.429 3.394 10 5 EGBERN Cc1cccnc1OC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000352348523 165356693 /nfs/dbraw/zinc/35/66/93/165356693.db2.gz ASIZTHUTHAICKA-UHFFFAOYSA-N 0 0 333.413 3.403 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353555304 165803975 /nfs/dbraw/zinc/80/39/75/165803975.db2.gz NOHSDBSBFVBDAZ-CQSZACIVSA-N 0 0 332.360 3.022 10 5 EGBERN Cc1sc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355178107 166125138 /nfs/dbraw/zinc/12/51/38/166125138.db2.gz MATFKMKPEOAWFA-HWPZZCPQSA-N 0 0 340.445 3.272 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000355474735 166213784 /nfs/dbraw/zinc/21/37/84/166213784.db2.gz NUIWCCUNCGNFKD-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CCn3cnc4ccccc43)no2)c1 ZINC000355561765 166244675 /nfs/dbraw/zinc/24/46/75/166244675.db2.gz GAXDBYZAPXWPMY-UHFFFAOYSA-N 0 0 335.323 3.237 10 5 EGBERN Cc1cc(C)n([C@H](C)c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)n1 ZINC000355979902 166365724 /nfs/dbraw/zinc/36/57/24/166365724.db2.gz JNXCHIAJQYWXSK-GFCCVEGCSA-N 0 0 327.344 3.376 10 5 EGBERN Cc1ccc(F)cc1C(=O)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000358906681 167001623 /nfs/dbraw/zinc/00/16/23/167001623.db2.gz PLEZVGOQRIRKPS-LLVKDONJSA-N 0 0 342.326 3.203 10 5 EGBERN COC(C)(C)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358979116 167026332 /nfs/dbraw/zinc/02/63/32/167026332.db2.gz MFTVCSPNEDWNSK-VIFPVBQESA-N 0 0 346.330 3.130 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCS1 ZINC000359005255 167035388 /nfs/dbraw/zinc/03/53/88/167035388.db2.gz ULZXTRXWCDYOBV-AWEZNQCLSA-N 0 0 346.355 3.212 10 5 EGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC000359173635 167088115 /nfs/dbraw/zinc/08/81/15/167088115.db2.gz HTMXMIJMOHASIE-HOCLYGCPSA-N 0 0 337.335 3.215 10 5 EGBERN O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000359356773 167135252 /nfs/dbraw/zinc/13/52/52/167135252.db2.gz DKUUYQBLCBEHGO-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CSC[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359357042 167135407 /nfs/dbraw/zinc/13/54/07/167135407.db2.gz CPBNCHWGNCRKCC-SNVBAGLBSA-N 0 0 346.355 3.164 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc(-c2cccnc2)s1 ZINC000359365400 167136966 /nfs/dbraw/zinc/13/69/66/167136966.db2.gz UWWAZFZZVCHRPH-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN O=C(Nc1cc(Cl)ccn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359392211 167143866 /nfs/dbraw/zinc/14/38/66/167143866.db2.gz PNGVAHZSRWUUDX-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCC3(C)C)n1 ZINC000359491452 167171200 /nfs/dbraw/zinc/17/12/00/167171200.db2.gz DMKCIXSCCBZWEM-UHFFFAOYSA-N 0 0 349.416 3.134 10 5 EGBERN COc1ccc(C[C@@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)cc1 ZINC000360990986 167475327 /nfs/dbraw/zinc/47/53/27/167475327.db2.gz POYZQOMIUWEHEH-HNNXBMFYSA-N 0 0 327.384 3.458 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cn1)c1ccnc(C(F)(F)F)c1 ZINC000361009153 167481930 /nfs/dbraw/zinc/48/19/30/167481930.db2.gz YZUCZJXTGQJMJD-UHFFFAOYSA-N 0 0 343.286 3.379 10 5 EGBERN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000362297910 167724571 /nfs/dbraw/zinc/72/45/71/167724571.db2.gz GCYGIDNYQQXKSQ-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159292001 225187317 /nfs/dbraw/zinc/18/73/17/225187317.db2.gz NHCTUXRONNWUSB-COXVUDFISA-N 0 0 346.383 3.073 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000174362779 265045326 /nfs/dbraw/zinc/04/53/26/265045326.db2.gz YPERDZGARGUTAA-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN Cc1cccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000174669515 265063275 /nfs/dbraw/zinc/06/32/75/265063275.db2.gz IHVNBTYSAPAFMW-CQSZACIVSA-N 0 0 328.368 3.409 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccn(-c2c(F)cccc2F)n1 ZINC000175372918 265111953 /nfs/dbraw/zinc/11/19/53/265111953.db2.gz YBCAFBASJDWNEU-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1ccc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)ccc2c1 ZINC000175682639 265128986 /nfs/dbraw/zinc/12/89/86/265128986.db2.gz ISFVOLGIUBFBJM-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CC[C@@H](NC(=O)NCCOCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176016760 265151287 /nfs/dbraw/zinc/15/12/87/265151287.db2.gz IDHWSYUEBYUKCV-MRXNPFEDSA-N 0 0 337.420 3.408 10 5 EGBERN COc1cc(NCc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000176899863 265213544 /nfs/dbraw/zinc/21/35/44/265213544.db2.gz BZWDJWJGBYELSA-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(C)noc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000177800627 265278968 /nfs/dbraw/zinc/27/89/68/265278968.db2.gz SUEGYDYPVRCPAT-CYBMUJFWSA-N 0 0 337.763 3.355 10 5 EGBERN CC(C)Oc1cncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000178491195 265321525 /nfs/dbraw/zinc/32/15/25/265321525.db2.gz DNOSBAMCSBOYRC-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN Cc1nc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(C)s1 ZINC000178895656 265349202 /nfs/dbraw/zinc/34/92/02/265349202.db2.gz VZTFSIXBLCEMMB-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000180502383 265404893 /nfs/dbraw/zinc/40/48/93/265404893.db2.gz TZQCLYULUITBLH-NSHDSACASA-N 0 0 333.310 3.395 10 5 EGBERN Cc1c(CC(=O)N2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000189177816 265741388 /nfs/dbraw/zinc/74/13/88/265741388.db2.gz CMQTXZQIDGCFET-UHFFFAOYSA-N 0 0 346.427 3.396 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000193184380 266015051 /nfs/dbraw/zinc/01/50/51/266015051.db2.gz DGKAYYCBWXHNFG-KRWDZBQOSA-N 0 0 327.384 3.468 10 5 EGBERN C[C@H]1COCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000193810578 266064308 /nfs/dbraw/zinc/06/43/08/266064308.db2.gz BAGQTPUQIYUZMZ-GWCFXTLKSA-N 0 0 347.396 3.329 10 5 EGBERN COc1ccc2nc(C(=O)NCc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000194950698 266149554 /nfs/dbraw/zinc/14/95/54/266149554.db2.gz OGKBMJIQMVCZQM-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC(C)(c1nc(C[C@@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000273819881 267116724 /nfs/dbraw/zinc/11/67/24/267116724.db2.gz CSZPPRAYSQFELK-NSHDSACASA-N 0 0 335.335 3.164 10 5 EGBERN Cc1c(-c2nc([C@H](C)C3CC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000273848817 267124293 /nfs/dbraw/zinc/12/42/93/267124293.db2.gz CAMLPHHWIINSSR-SECBINFHSA-N 0 0 340.343 3.047 10 5 EGBERN Cc1cnc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c([N+](=O)[O-])c1 ZINC000275543765 267378701 /nfs/dbraw/zinc/37/87/01/267378701.db2.gz GWOHWXZIHWORMS-OAHLLOKOSA-N 0 0 341.415 3.252 10 5 EGBERN CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275919779 267451502 /nfs/dbraw/zinc/45/15/02/267451502.db2.gz PYETWJDTIHWXDZ-XYPYZODXSA-N 0 0 329.194 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(OCC(C)C)CC2)c1F ZINC000277318084 267758789 /nfs/dbraw/zinc/75/87/89/267758789.db2.gz BWWCHYKTHSCKDA-UHFFFAOYSA-N 0 0 338.379 3.320 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@@H](c3ccsc3)C1)CCN2 ZINC000278475472 268021898 /nfs/dbraw/zinc/02/18/98/268021898.db2.gz UYCHUIVMEKMUKW-OAHLLOKOSA-N 0 0 331.397 3.202 10 5 EGBERN COc1cc(C(=O)Nc2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1C ZINC000344461404 274091836 /nfs/dbraw/zinc/09/18/36/274091836.db2.gz MRAHZLIZUKZEAM-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN O=C1CCc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2N1 ZINC000356099741 275018481 /nfs/dbraw/zinc/01/84/81/275018481.db2.gz NSGFUAKQOINRHZ-UHFFFAOYSA-N 0 0 336.307 3.197 10 5 EGBERN CCCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046535264 275137708 /nfs/dbraw/zinc/13/77/08/275137708.db2.gz SXWHDLPPIMUUMK-UHFFFAOYSA-N 0 0 343.383 3.155 10 5 EGBERN C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897211 275151984 /nfs/dbraw/zinc/15/19/84/275151984.db2.gz ZKAADDICEQAJHL-QWRGUYRKSA-N 0 0 325.796 3.307 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111475331 275183739 /nfs/dbraw/zinc/18/37/39/275183739.db2.gz TYWHYACOOJTGEK-WMZOPIPTSA-N 0 0 339.395 3.240 10 5 EGBERN CC(C)N(C(=O)COc1ccc([N+](=O)[O-])c2ncccc12)C(C)C ZINC000184984488 275214368 /nfs/dbraw/zinc/21/43/68/275214368.db2.gz TTZMWOKGNSNSNP-UHFFFAOYSA-N 0 0 331.372 3.167 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2ncn(-c3ccccc3)n2)c2cccnc21 ZINC000184980323 275214411 /nfs/dbraw/zinc/21/44/11/275214411.db2.gz UVGGKBJIPQZVBZ-UHFFFAOYSA-N 0 0 347.334 3.303 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](c2ccsc2)O1 ZINC000277953257 275255380 /nfs/dbraw/zinc/25/53/80/275255380.db2.gz WFDGWHPLMAUGHU-MEBBXXQBSA-N 0 0 344.396 3.499 10 5 EGBERN CC(C)(C)c1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000278631363 275260911 /nfs/dbraw/zinc/26/09/11/275260911.db2.gz UHJGTTSXZNYISO-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000278641673 275261651 /nfs/dbraw/zinc/26/16/51/275261651.db2.gz GAMKHSDYIOJLSP-UHFFFAOYSA-N 0 0 347.415 3.276 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@@H]1C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000279246399 275315897 /nfs/dbraw/zinc/31/58/97/275315897.db2.gz HOJSHYPRVSRFCY-LXZKKBNFSA-N 0 0 349.431 3.381 10 5 EGBERN Cc1c(NC(=O)N2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000280801119 275496841 /nfs/dbraw/zinc/49/68/41/275496841.db2.gz RCSQTVYHYXLZAE-UHFFFAOYSA-N 0 0 328.166 3.293 10 5 EGBERN CC(C)(CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000280910953 275505966 /nfs/dbraw/zinc/50/59/66/275505966.db2.gz HOQWVKGIBBLKDC-UHFFFAOYSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCOc3ccccc32)c1 ZINC000281165523 275527107 /nfs/dbraw/zinc/52/71/07/275527107.db2.gz ILBCSQCGWZXCMY-UHFFFAOYSA-N 0 0 342.351 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000281398799 275546311 /nfs/dbraw/zinc/54/63/11/275546311.db2.gz VYPIKCQNJXHLIN-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281923238 275588795 /nfs/dbraw/zinc/58/87/95/275588795.db2.gz JXPXVZCFIIZANW-MRXNPFEDSA-N 0 0 343.387 3.396 10 5 EGBERN C[C@@H]1CC(CNc2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000281936458 275589991 /nfs/dbraw/zinc/58/99/91/275589991.db2.gz RVKVKVWVJIRGPP-RKDXNWHRSA-N 0 0 344.209 3.368 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCO[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000286693483 276033874 /nfs/dbraw/zinc/03/38/74/276033874.db2.gz XTYDDHHMLZOZJR-CQSZACIVSA-N 0 0 347.198 3.287 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000360886277 276040478 /nfs/dbraw/zinc/04/04/78/276040478.db2.gz XJZNCJYYMSQXRK-RKDXNWHRSA-N 0 0 348.325 3.244 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000287712830 276150013 /nfs/dbraw/zinc/15/00/13/276150013.db2.gz DYPZWWRVIYJKLQ-YVEFUNNKSA-N 0 0 328.372 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000291581684 276662992 /nfs/dbraw/zinc/66/29/92/276662992.db2.gz XQABOEZGBWSWDT-UHFFFAOYSA-N 0 0 329.360 3.467 10 5 EGBERN CCc1ccc(C(=O)N2CCCc3c(N)cccc32)cc1[N+](=O)[O-] ZINC000237122673 276687372 /nfs/dbraw/zinc/68/73/72/276687372.db2.gz BXHFCOAPZJHYPJ-UHFFFAOYSA-N 0 0 325.368 3.332 10 5 EGBERN COc1c(C(=O)N[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000353301977 277361093 /nfs/dbraw/zinc/36/10/93/277361093.db2.gz CDVGJYHRYLIPFH-OAHLLOKOSA-N 0 0 326.352 3.411 10 5 EGBERN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OC=C[C@@H]41 ZINC000004654624 278043524 /nfs/dbraw/zinc/04/35/24/278043524.db2.gz JKUJKKGMOZDDJV-ZRNGKTOUSA-N 0 0 338.315 3.309 10 5 endogenous,in-man EGBERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ncccc1[N+](=O)[O-] ZINC000072202859 278388295 /nfs/dbraw/zinc/38/82/95/278388295.db2.gz JWFSZDVBSKUILN-LBPRGKRZSA-N 0 0 337.376 3.158 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000343359254 279012603 /nfs/dbraw/zinc/01/26/03/279012603.db2.gz JSRNLWFVZFIGGH-GFCCVEGCSA-N 0 0 331.372 3.025 10 5 EGBERN Cc1sc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355916544 279282649 /nfs/dbraw/zinc/28/26/49/279282649.db2.gz QRROCNVFKGJIKF-JTQLQIEISA-N 0 0 332.381 3.388 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346935848 280182335 /nfs/dbraw/zinc/18/23/35/280182335.db2.gz IXQJLTVNZOGKBQ-CYBMUJFWSA-N 0 0 345.321 3.266 10 5 EGBERN Cc1cc(NC(=O)c2ccc3c(c2)COC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000360752853 280299220 /nfs/dbraw/zinc/29/92/20/280299220.db2.gz WSIFRYWLTALYOH-UHFFFAOYSA-N 0 0 349.346 3.156 10 5 EGBERN Cc1ccc([C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)c(C)c1 ZINC000369553260 281001317 /nfs/dbraw/zinc/00/13/17/281001317.db2.gz UJRWYHXNQIHKFV-AWEZNQCLSA-N 0 0 337.383 3.248 10 5 EGBERN CC1(C)[C@@H]2CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@@H]21 ZINC000349132662 281455478 /nfs/dbraw/zinc/45/54/78/281455478.db2.gz SLJPFGNHNKRCFO-AOOOYVTPSA-N 0 0 328.290 3.342 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000267262734 288388922 /nfs/dbraw/zinc/38/89/22/288388922.db2.gz KTJHUJFTULSGDV-DGCLKSJQSA-N 0 0 344.396 3.270 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000066708981 288393386 /nfs/dbraw/zinc/39/33/86/288393386.db2.gz RKJUFKSKHJJABH-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN CCn1c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc2cccnc21 ZINC000349850408 288683426 /nfs/dbraw/zinc/68/34/26/288683426.db2.gz VODLBDLAEUBLRW-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000367928209 297076716 /nfs/dbraw/zinc/07/67/16/297076716.db2.gz RLPLUWBZIJUAKC-XHBSWPGZSA-N 0 0 340.807 3.411 10 5 EGBERN COc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)sc2c1 ZINC000013163835 295280282 /nfs/dbraw/zinc/28/02/82/295280282.db2.gz RXRVOSRSHIEWFB-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000364428181 301431010 /nfs/dbraw/zinc/43/10/10/301431010.db2.gz VZPVAMQJEVONNP-KRWDZBQOSA-N 0 0 326.352 3.117 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCOC[C@@H]1c1ccco1 ZINC000365024674 304801562 /nfs/dbraw/zinc/80/15/62/304801562.db2.gz CMGDTAOGAYXEKQ-OAHLLOKOSA-N 0 0 325.324 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccco2)c2ccncc21 ZINC000364303562 304803398 /nfs/dbraw/zinc/80/33/98/304803398.db2.gz AFFRICOMRONHPP-INIZCTEOSA-N 0 0 325.324 3.314 10 5 EGBERN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000055902773 307341914 /nfs/dbraw/zinc/34/19/14/307341914.db2.gz NQBHOZQJQZJXEQ-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067863883 307368368 /nfs/dbraw/zinc/36/83/68/307368368.db2.gz ICCNPQYUVIDTFO-SNVBAGLBSA-N 0 0 335.385 3.249 10 5 EGBERN C[C@H](NC(=O)NCCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000129665894 307618028 /nfs/dbraw/zinc/61/80/28/307618028.db2.gz KSNZIAOYIIJHNJ-VBQJREDUSA-N 0 0 349.431 3.286 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000151466814 307733580 /nfs/dbraw/zinc/73/35/80/307733580.db2.gz GSFHDDFLQLZZFY-KRWDZBQOSA-N 0 0 346.408 3.166 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000152023047 307743993 /nfs/dbraw/zinc/74/39/93/307743993.db2.gz KKTHGKFXNOTKTO-JTQLQIEISA-N 0 0 347.371 3.132 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161286947 307901004 /nfs/dbraw/zinc/90/10/04/307901004.db2.gz MPSWSLDLLYTFDK-QMTHXVAHSA-N 0 0 332.322 3.291 10 5 EGBERN COc1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC000292868763 308074478 /nfs/dbraw/zinc/07/44/78/308074478.db2.gz OTUTXMMNKGSMHP-HIFRSBDPSA-N 0 0 340.326 3.029 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000293104110 308099979 /nfs/dbraw/zinc/09/99/79/308099979.db2.gz UBAIBHWBBJKAKJ-GPZRYRNASA-N 0 0 332.400 3.009 10 5 EGBERN COc1cc(CN2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245455 308113416 /nfs/dbraw/zinc/11/34/16/308113416.db2.gz BGIWPGRNDSUNFB-UWVGGRQHSA-N 0 0 330.331 3.088 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C2CC2)nc1 ZINC000294343275 308212325 /nfs/dbraw/zinc/21/23/25/308212325.db2.gz ATBUXRLXHPAUKR-UHFFFAOYSA-N 0 0 340.383 3.313 10 5 EGBERN CC(C)(CCC(=O)NCc1cc(F)cc(Br)c1)[N+](=O)[O-] ZINC000294614299 308238334 /nfs/dbraw/zinc/23/83/34/308238334.db2.gz XJCRFWXQRFBBCQ-UHFFFAOYSA-N 0 0 347.184 3.040 10 5 EGBERN CCOC(=O)C1CCC(Sc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000294951785 308275499 /nfs/dbraw/zinc/27/54/99/308275499.db2.gz JCCFBQIKUXXOOU-UHFFFAOYSA-N 0 0 341.433 3.334 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000295054161 308285807 /nfs/dbraw/zinc/28/58/07/308285807.db2.gz OXCSYUYENKFDMY-RISCZKNCSA-N 0 0 340.807 3.117 10 5 EGBERN CC(F)(F)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295665389 308348686 /nfs/dbraw/zinc/34/86/86/308348686.db2.gz WLAJSLNCWUJEDQ-UHFFFAOYSA-N 0 0 328.315 3.109 10 5 EGBERN C[C@H](NC(=O)c1coc2c1C(=O)CCC2)c1ccccc1[N+](=O)[O-] ZINC000297359199 308526067 /nfs/dbraw/zinc/52/60/67/308526067.db2.gz BZLYXJDDCFHNPE-JTQLQIEISA-N 0 0 328.324 3.198 10 5 EGBERN CCOc1ccccc1[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000298345155 308605488 /nfs/dbraw/zinc/60/54/88/308605488.db2.gz IQDRWVQNPDDGGA-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000299688228 308684414 /nfs/dbraw/zinc/68/44/14/308684414.db2.gz YQAMRJLWSRWONT-OAHLLOKOSA-N 0 0 339.395 3.160 10 5 EGBERN Cc1noc(COc2ccc(Oc3nccc(C)c3[N+](=O)[O-])cc2)n1 ZINC000301276713 308694668 /nfs/dbraw/zinc/69/46/68/308694668.db2.gz JAQAMAGKXCYMBA-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(N)=O)c1cccc(F)c1 ZINC000301288038 308694990 /nfs/dbraw/zinc/69/49/90/308694990.db2.gz NOJGTXUTMQUVFB-UHFFFAOYSA-N 0 0 331.347 3.223 10 5 EGBERN C[C@@H](CCC1CCCC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301332357 308696675 /nfs/dbraw/zinc/69/66/75/308696675.db2.gz DYBIDCBSDHIWGJ-LBPRGKRZSA-N 0 0 330.388 3.374 10 5 EGBERN Cc1nc(N[C@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000301628275 308708078 /nfs/dbraw/zinc/70/80/78/308708078.db2.gz BPTNLGJLWCFLFG-HNNXBMFYSA-N 0 0 326.360 3.150 10 5 EGBERN COc1cc(N[C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000301673929 308710342 /nfs/dbraw/zinc/71/03/42/308710342.db2.gz RNOIYNIVICQUHQ-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN Cc1cc(N[C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301681878 308710713 /nfs/dbraw/zinc/71/07/13/308710713.db2.gz VKTBTJADAFFFEP-INIZCTEOSA-N 0 0 331.416 3.496 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301867607 308719190 /nfs/dbraw/zinc/71/91/90/308719190.db2.gz VSJVNSWIFXLTQZ-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301898244 308720615 /nfs/dbraw/zinc/72/06/15/308720615.db2.gz RWRDLEYPKPLJFW-LBPRGKRZSA-N 0 0 340.445 3.403 10 5 EGBERN O=C(CC1CCCC1)NC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301982126 308723972 /nfs/dbraw/zinc/72/39/72/308723972.db2.gz BJBFUZZUHOAOPG-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301991283 308724477 /nfs/dbraw/zinc/72/44/77/308724477.db2.gz MPFWFVMHOPXARZ-KBPBESRZSA-N 0 0 337.383 3.328 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302019509 308725430 /nfs/dbraw/zinc/72/54/30/308725430.db2.gz ZZHCSMJFUCJYRM-HNNXBMFYSA-N 0 0 339.399 3.403 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc([N+](=O)[O-])c2C)c1 ZINC000302126850 308729997 /nfs/dbraw/zinc/72/99/97/308729997.db2.gz ZSMNWWBJDUACLU-UHFFFAOYSA-N 0 0 332.268 3.390 10 5 EGBERN CCC1(CC)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302229923 308734287 /nfs/dbraw/zinc/73/42/87/308734287.db2.gz WLNROWCBPWGVKP-NRFANRHFSA-N 0 0 330.837 3.376 10 5 EGBERN CC1(C)CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000302353140 308736211 /nfs/dbraw/zinc/73/62/11/308736211.db2.gz BVVBFVFNHYFQRW-VIFPVBQESA-N 0 0 330.182 3.122 10 5 EGBERN Cc1nc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000302584827 308740124 /nfs/dbraw/zinc/74/01/24/308740124.db2.gz UXVXBRQELNBVDE-JTQLQIEISA-N 0 0 346.353 3.373 10 5 EGBERN CO[C@H]1CC[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737287 308743847 /nfs/dbraw/zinc/74/38/47/308743847.db2.gz BMWHLOKRUUXTLH-HIFRSBDPSA-N 0 0 328.372 3.340 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000302746016 308744124 /nfs/dbraw/zinc/74/41/24/308744124.db2.gz STPONBTTXDSOEC-HNNXBMFYSA-N 0 0 343.358 3.255 10 5 EGBERN CCN(CC(=O)Nc1cccc(OC)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302825755 308747312 /nfs/dbraw/zinc/74/73/12/308747312.db2.gz ZEEZUVUTEQNGSV-UHFFFAOYSA-N 0 0 347.346 3.208 10 5 EGBERN Cc1ccc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1F ZINC000302842177 308747832 /nfs/dbraw/zinc/74/78/32/308747832.db2.gz DKTAKFFZGICBCQ-UHFFFAOYSA-N 0 0 325.317 3.238 10 5 EGBERN O=C(COc1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000322732227 308768479 /nfs/dbraw/zinc/76/84/79/308768479.db2.gz VSGNPACDLJZPGE-UHFFFAOYSA-N 0 0 335.699 3.239 10 5 EGBERN CC(C)(C)OC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330486581 308795646 /nfs/dbraw/zinc/79/56/46/308795646.db2.gz FHJRQERIYYFAAV-UHFFFAOYSA-N 0 0 326.418 3.210 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330546981 308796228 /nfs/dbraw/zinc/79/62/28/308796228.db2.gz VLKKLBRARCUOKZ-NWDGAFQWSA-N 0 0 343.177 3.253 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000410431353 308916960 /nfs/dbraw/zinc/91/69/60/308916960.db2.gz FDXSYQWWUPNNAR-JTQLQIEISA-N 0 0 338.314 3.400 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000411547580 308943778 /nfs/dbraw/zinc/94/37/78/308943778.db2.gz DHCFMSQYEDTUDU-KDOFPFPSSA-N 0 0 344.342 3.105 10 5 EGBERN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000412171801 308972813 /nfs/dbraw/zinc/97/28/13/308972813.db2.gz LVHCOJUVYJAILJ-HKUYNNGSSA-N 0 0 340.354 3.364 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CC(C)(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000412764008 309001581 /nfs/dbraw/zinc/00/15/81/309001581.db2.gz LJSHKDMPSAUBSQ-LLVKDONJSA-N 0 0 334.372 3.032 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000412765001 309001643 /nfs/dbraw/zinc/00/16/43/309001643.db2.gz MLWIXDDRFXDQGQ-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000412778562 309002268 /nfs/dbraw/zinc/00/22/68/309002268.db2.gz JADSZFGXMXGRDC-VIFPVBQESA-N 0 0 328.315 3.457 10 5 EGBERN O=[N+]([O-])c1cnc(NCC2CCN(c3ccccc3)CC2)c(F)c1 ZINC000413259212 309024024 /nfs/dbraw/zinc/02/40/24/309024024.db2.gz DASBPVWIXJZYTJ-UHFFFAOYSA-N 0 0 330.363 3.457 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000413401642 309030534 /nfs/dbraw/zinc/03/05/34/309030534.db2.gz FDGLSVWUEDCIHP-SMDDNHRTSA-N 0 0 345.330 3.192 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@@H]1C1CCC1 ZINC000416324967 309168677 /nfs/dbraw/zinc/16/86/77/309168677.db2.gz RSPMXQPDGQLNSX-MRXNPFEDSA-N 0 0 345.424 3.434 10 5 EGBERN Cc1cc(S(=O)(=O)N([C@H](C)C2CC2)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416367524 309170234 /nfs/dbraw/zinc/17/02/34/309170234.db2.gz GCPXUXNWSLNONF-GFCCVEGCSA-N 0 0 338.429 3.163 10 5 EGBERN CC[C@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccncc1 ZINC000416406906 309171135 /nfs/dbraw/zinc/17/11/35/309171135.db2.gz HFBAHGFAGXYWKC-AWEZNQCLSA-N 0 0 349.412 3.036 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000416746140 309179358 /nfs/dbraw/zinc/17/93/58/309179358.db2.gz GVNRUYOIIFLGOE-HZPDHXFCSA-N 0 0 337.420 3.406 10 5 EGBERN C[C@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000420595492 309289680 /nfs/dbraw/zinc/28/96/80/309289680.db2.gz GBZDIWQWMZJOFG-RLFDGXBXSA-N 0 0 341.367 3.059 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000420616296 309290245 /nfs/dbraw/zinc/29/02/45/309290245.db2.gz GUUDFXDLRNMRIS-UONOGXRCSA-N 0 0 335.404 3.103 10 5 EGBERN Cc1c(Cl)c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1C ZINC000421333759 309318780 /nfs/dbraw/zinc/31/87/80/309318780.db2.gz XNUSHXKFRONTIJ-UHFFFAOYSA-N 0 0 334.807 3.455 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(N)=O)cc1OC(C)C ZINC000421414548 309323760 /nfs/dbraw/zinc/32/37/60/309323760.db2.gz ZNAMBUAMDJNLBX-UHFFFAOYSA-N 0 0 343.383 3.401 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000421661803 309333261 /nfs/dbraw/zinc/33/32/61/309333261.db2.gz ITSBPAPEQCNAFS-DGCLKSJQSA-N 0 0 334.397 3.497 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000422133338 309355293 /nfs/dbraw/zinc/35/52/93/309355293.db2.gz XQRHMZYAZKWUDH-AAEUAGOBSA-N 0 0 338.429 3.081 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000422228739 309358623 /nfs/dbraw/zinc/35/86/23/309358623.db2.gz ATGSBYOBPXXZPE-QWHCGFSZSA-N 0 0 335.404 3.087 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(CC(F)F)C1 ZINC000425075555 309465238 /nfs/dbraw/zinc/46/52/38/309465238.db2.gz LGUOWXGDFFHYAI-UHFFFAOYSA-N 0 0 338.232 3.341 10 5 EGBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000425139034 309467303 /nfs/dbraw/zinc/46/73/03/309467303.db2.gz LJYCBAZNOXJLRY-ILWJIGKKSA-N 0 0 344.289 3.064 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2CCC[C@H](F)C2)c(C)c([N+](=O)[O-])c1 ZINC000425560283 309486264 /nfs/dbraw/zinc/48/62/64/309486264.db2.gz JGLXULYOWNGCPJ-JQWIXIFHSA-N 0 0 338.335 3.157 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC(F)(F)C1 ZINC000426000464 309497359 /nfs/dbraw/zinc/49/73/59/309497359.db2.gz SEGHYEJQIRKMLE-LBPRGKRZSA-N 0 0 327.331 3.014 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CCC1 ZINC000427207088 309524852 /nfs/dbraw/zinc/52/48/52/309524852.db2.gz VYGZKUACVZETHQ-JTQLQIEISA-N 0 0 326.780 3.322 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427252322 309526020 /nfs/dbraw/zinc/52/60/20/309526020.db2.gz GPMSIJZDNFHUOK-OKILXGFUSA-N 0 0 338.429 3.022 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(CC(C)(C)C)cs2)n1 ZINC000427393420 309528192 /nfs/dbraw/zinc/52/81/92/309528192.db2.gz ZKYGMLQJYOXXPA-UHFFFAOYSA-N 0 0 337.405 3.109 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)n1 ZINC000427601437 309532054 /nfs/dbraw/zinc/53/20/54/309532054.db2.gz LCBHDDSFAFUAJS-OAHLLOKOSA-N 0 0 342.399 3.405 10 5 EGBERN C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000428014643 309540423 /nfs/dbraw/zinc/54/04/23/309540423.db2.gz APPJQCAKSGUMTG-CYBMUJFWSA-N 0 0 343.383 3.170 10 5 EGBERN Cc1cc(Oc2ccc([N+](=O)[O-])c(CO)c2)nc(-c2ccccn2)n1 ZINC000428663768 309558124 /nfs/dbraw/zinc/55/81/24/309558124.db2.gz KKYALLLBQWLVNF-UHFFFAOYSA-N 0 0 338.323 3.040 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cc(Br)ccn2)n1 ZINC000432134755 309652913 /nfs/dbraw/zinc/65/29/13/309652913.db2.gz VSMRUBABNDUDGA-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000433725974 309694486 /nfs/dbraw/zinc/69/44/86/309694486.db2.gz DPVMMARORFEGGZ-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN COC(=O)[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000433798595 309696759 /nfs/dbraw/zinc/69/67/59/309696759.db2.gz JDRKTMZPEKLAPR-AWEZNQCLSA-N 0 0 347.346 3.114 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436004717 309744644 /nfs/dbraw/zinc/74/46/44/309744644.db2.gz DYXZGACTLFPJHF-NSHDSACASA-N 0 0 338.791 3.442 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455109257 310345012 /nfs/dbraw/zinc/34/50/12/310345012.db2.gz YAUJOZWSSNPFEA-NSHDSACASA-N 0 0 347.293 3.303 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439264514 309829731 /nfs/dbraw/zinc/82/97/31/309829731.db2.gz YJRJKIFZASQTOH-QWHCGFSZSA-N 0 0 344.367 3.230 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCCC12CCC2 ZINC000444626683 309923328 /nfs/dbraw/zinc/92/33/28/309923328.db2.gz AUNJWVLFADTISS-UHFFFAOYSA-N 0 0 341.367 3.067 10 5 EGBERN Cc1ccc(CCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444645958 309924027 /nfs/dbraw/zinc/92/40/27/309924027.db2.gz RJCKXMPYUUZNCY-UHFFFAOYSA-N 0 0 338.367 3.029 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H](C)c2ccc(C)cc2)no1 ZINC000445230664 309938281 /nfs/dbraw/zinc/93/82/81/309938281.db2.gz LLSCKMMJBYFDPQ-GFCCVEGCSA-N 0 0 341.371 3.186 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CSc3ccccc3C)n2)n1C ZINC000445604864 309944214 /nfs/dbraw/zinc/94/42/14/309944214.db2.gz OURQCGIAARCREC-UHFFFAOYSA-N 0 0 345.384 3.287 10 5 EGBERN CCOc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)ccc1C ZINC000445618254 309944696 /nfs/dbraw/zinc/94/46/96/309944696.db2.gz AHHCSWQFZKMLDT-UHFFFAOYSA-N 0 0 343.343 3.061 10 5 EGBERN CO[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000447670833 309985478 /nfs/dbraw/zinc/98/54/78/309985478.db2.gz OBFALWGIQISNTB-HNNXBMFYSA-N 0 0 346.774 3.346 10 5 EGBERN CCc1cccc2c1OCC[C@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447667220 309985481 /nfs/dbraw/zinc/98/54/81/309985481.db2.gz DAIKZGGQIYXDRF-CQSZACIVSA-N 0 0 338.367 3.391 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3c[nH]c4cc(F)ccc34)nc2c1 ZINC000447670313 309985510 /nfs/dbraw/zinc/98/55/10/309985510.db2.gz MRYJIDDEYYSUQT-UHFFFAOYSA-N 0 0 339.330 3.168 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCc4c(F)ccc(F)c4C3)nc2c1 ZINC000447686151 309985689 /nfs/dbraw/zinc/98/56/89/309985689.db2.gz OZDIPGRRGLHRKJ-UHFFFAOYSA-N 0 0 330.294 3.312 10 5 EGBERN CC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000449957288 310095915 /nfs/dbraw/zinc/09/59/15/310095915.db2.gz ZZLFMZOAGJZVFJ-SNVBAGLBSA-N 0 0 339.348 3.080 10 5 EGBERN Cc1cnc(CCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000450311590 310114767 /nfs/dbraw/zinc/11/47/67/310114767.db2.gz IGZDHBHKUYMJDU-UHFFFAOYSA-N 0 0 343.383 3.405 10 5 EGBERN CCCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])nc3)ccc21 ZINC000450422981 310121797 /nfs/dbraw/zinc/12/17/97/310121797.db2.gz OCCBMJLPDALADP-UHFFFAOYSA-N 0 0 326.356 3.423 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450500280 310126577 /nfs/dbraw/zinc/12/65/77/310126577.db2.gz MVLMLVOGKFSKQK-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c(Cl)cc(F)cc2C1 ZINC000450584005 310131480 /nfs/dbraw/zinc/13/14/80/310131480.db2.gz KHNHKSVJTNCFRY-UHFFFAOYSA-N 0 0 338.770 3.475 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450659256 310135657 /nfs/dbraw/zinc/13/56/57/310135657.db2.gz QBLRYJYROOLEPY-PBHICJAKSA-N 0 0 334.322 3.038 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000450679853 310136744 /nfs/dbraw/zinc/13/67/44/310136744.db2.gz KBHSSWXHEXEWFO-YXJHDRRASA-N 0 0 332.400 3.317 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CF)CCOCC2)cc1OC(F)F ZINC000450735231 310139976 /nfs/dbraw/zinc/13/99/76/310139976.db2.gz ZSNGJCPEIMUZNS-UHFFFAOYSA-N 0 0 334.294 3.374 10 5 EGBERN CCCc1ncc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])o1 ZINC000450850558 310145761 /nfs/dbraw/zinc/14/57/61/310145761.db2.gz XWMDKIYDUIALAZ-UHFFFAOYSA-N 0 0 344.371 3.040 10 5 EGBERN COC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000450946444 310151438 /nfs/dbraw/zinc/15/14/38/310151438.db2.gz MNCRCYHRCANFAB-SNVBAGLBSA-N 0 0 344.209 3.005 10 5 EGBERN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000451867880 310201002 /nfs/dbraw/zinc/20/10/02/310201002.db2.gz CZNICGUFTKZLGD-LLVKDONJSA-N 0 0 349.328 3.050 10 5 EGBERN CC(C)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000451913009 310203442 /nfs/dbraw/zinc/20/34/42/310203442.db2.gz VXDDVAOEDJDNPC-CVEARBPZSA-N 0 0 340.445 3.037 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2c(F)cccc21 ZINC000452192540 310217880 /nfs/dbraw/zinc/21/78/80/310217880.db2.gz LUEKIUSNFWVSSS-QGZVFWFLSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000452270800 310221139 /nfs/dbraw/zinc/22/11/39/310221139.db2.gz MXURRXFSSADZAG-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452584335 310233207 /nfs/dbraw/zinc/23/32/07/310233207.db2.gz HMYPBFOGRUWKLL-KZNAEPCWSA-N 0 0 346.427 3.070 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452643113 310235543 /nfs/dbraw/zinc/23/55/43/310235543.db2.gz JEHGOOCDQCZKRQ-CMPLNLGQSA-N 0 0 330.306 3.327 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000452821006 310243540 /nfs/dbraw/zinc/24/35/40/310243540.db2.gz DSLSEBXVJWBHQX-SJKOYZFVSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000452821005 310243546 /nfs/dbraw/zinc/24/35/46/310243546.db2.gz DSLSEBXVJWBHQX-SJCJKPOMSA-N 0 0 345.399 3.257 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C\[C@H]3CCOC3)n2)c2c1NCCC2 ZINC000453229766 310265514 /nfs/dbraw/zinc/26/55/14/310265514.db2.gz CUEFSAHRNIJBLX-UUSYTGMJSA-N 0 0 342.355 3.053 10 5 EGBERN CCC[C@H](OC)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453237068 310265999 /nfs/dbraw/zinc/26/59/99/310265999.db2.gz MEIOLKBBMYSBST-ZDUSSCGKSA-N 0 0 332.360 3.491 10 5 EGBERN CCC[C@@H](OC)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453237067 310266021 /nfs/dbraw/zinc/26/60/21/310266021.db2.gz MEIOLKBBMYSBST-CYBMUJFWSA-N 0 0 332.360 3.491 10 5 EGBERN Cc1cc(-c2noc(-c3cnn4c3CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000453299355 310269862 /nfs/dbraw/zinc/26/98/62/310269862.db2.gz XSIDQQHEGJVFMP-UHFFFAOYSA-N 0 0 325.328 3.153 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000453428186 310276688 /nfs/dbraw/zinc/27/66/88/310276688.db2.gz POMNCVUNSKBYSU-QWHCGFSZSA-N 0 0 329.404 3.405 10 5 EGBERN C[C@@H](F)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000454882053 310333997 /nfs/dbraw/zinc/33/39/97/310333997.db2.gz BIBIHGQWBARCGJ-MRVPVSSYSA-N 0 0 337.273 3.161 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455495812 310363867 /nfs/dbraw/zinc/36/38/67/310363867.db2.gz ASXNAOZVJOWITD-RLCCDNCMSA-N 0 0 335.404 3.159 10 5 EGBERN O=C(N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1(C2CCC2)CCC1 ZINC000456019435 310385479 /nfs/dbraw/zinc/38/54/79/310385479.db2.gz GBFSLLXDRCIUPD-UHFFFAOYSA-N 0 0 330.384 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456094333 310388296 /nfs/dbraw/zinc/38/82/96/310388296.db2.gz HDKHUHDQVPOJRD-USXIJHARSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(CO)oc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456137958 310390164 /nfs/dbraw/zinc/39/01/64/310390164.db2.gz JSXVRCWNBLBBPO-AWEZNQCLSA-N 0 0 344.367 3.008 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(C2CC2)nc1 ZINC000456157410 310391096 /nfs/dbraw/zinc/39/10/96/310391096.db2.gz DJOHYTXCOZSZGZ-UHFFFAOYSA-N 0 0 341.371 3.335 10 5 EGBERN CCn1ccnc1[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000456344303 310399731 /nfs/dbraw/zinc/39/97/31/310399731.db2.gz FTQXTDHHZPTBKF-JTQLQIEISA-N 0 0 336.779 3.264 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)n1 ZINC000456836721 310424841 /nfs/dbraw/zinc/42/48/41/310424841.db2.gz IBHBZBKWPDLBBS-CQSZACIVSA-N 0 0 346.362 3.236 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@]2(CCSC2)C1 ZINC000456862200 310426306 /nfs/dbraw/zinc/42/63/06/310426306.db2.gz GTOYWKRBCQMBDS-KRWDZBQOSA-N 0 0 345.424 3.435 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC[C@H](C)C1 ZINC000460216086 310581003 /nfs/dbraw/zinc/58/10/03/310581003.db2.gz MGRPFVVEGOXVQJ-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN Cn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c(C2CC2)n1 ZINC000461865549 310593097 /nfs/dbraw/zinc/59/30/97/310593097.db2.gz INYNCNRQWRYBJX-UHFFFAOYSA-N 0 0 335.367 3.433 10 5 EGBERN CN(CCc1cccc(Br)c1)c1ccc([N+](=O)[O-])nc1 ZINC000462096141 310595575 /nfs/dbraw/zinc/59/55/75/310595575.db2.gz CCNNLVNHYMACNZ-UHFFFAOYSA-N 0 0 336.189 3.431 10 5 EGBERN Cc1ccc(CNc2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] ZINC000463492720 310613480 /nfs/dbraw/zinc/61/34/80/310613480.db2.gz VQHBKFWWWODWKV-UHFFFAOYSA-N 0 0 330.775 3.477 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470617518 310724622 /nfs/dbraw/zinc/72/46/22/310724622.db2.gz HVNUZSLLAVPROO-ZWNOBZJWSA-N 0 0 330.306 3.327 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000473481444 310775652 /nfs/dbraw/zinc/77/56/52/310775652.db2.gz JJSZZNVQEBYCLD-FRRDWIJNSA-N 0 0 335.404 3.179 10 5 EGBERN Cc1c(CNC(=O)NCCCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000478594988 310861241 /nfs/dbraw/zinc/86/12/41/310861241.db2.gz NMZZURPCUHRSBO-UHFFFAOYSA-N 0 0 345.374 3.474 10 5 EGBERN C[C@@](O)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000481310489 310910661 /nfs/dbraw/zinc/91/06/61/310910661.db2.gz TZNJLGOHOPTFOV-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000486953978 311003574 /nfs/dbraw/zinc/00/35/74/311003574.db2.gz HGQBLBAVQDTLSD-UHFFFAOYSA-N 0 0 332.809 3.201 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000488738241 311077594 /nfs/dbraw/zinc/07/75/94/311077594.db2.gz JDGSTGFVIDGFAY-CYBMUJFWSA-N 0 0 340.445 3.493 10 5 EGBERN C[C@@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000488898197 311084108 /nfs/dbraw/zinc/08/41/08/311084108.db2.gz MINFBBSKWSDRNQ-MRVPVSSYSA-N 0 0 346.293 3.492 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000488976945 311087595 /nfs/dbraw/zinc/08/75/95/311087595.db2.gz JEGXOMBEXPYEDU-SNVBAGLBSA-N 0 0 330.356 3.381 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1CCCCC1 ZINC000489574665 311112656 /nfs/dbraw/zinc/11/26/56/311112656.db2.gz ZZIXGAVBRTVSMV-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN CC[C@H](C[C@@H](C)CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000492936329 311309213 /nfs/dbraw/zinc/30/92/13/311309213.db2.gz IYPHQIIGQZZJLK-XNRPHZJLSA-N 0 0 337.420 3.142 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(C(C)(C)C)cc2)n1 ZINC000503638194 311991672 /nfs/dbraw/zinc/99/16/72/311991672.db2.gz SLMOSSFNSAFDTJ-UHFFFAOYSA-N 0 0 344.415 3.291 10 5 EGBERN CCCCN(CCCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000506252940 312045677 /nfs/dbraw/zinc/04/56/77/312045677.db2.gz GEUAHMCATSPPET-UHFFFAOYSA-N 0 0 344.433 3.194 10 5 EGBERN Cc1c(Br)cc(C(=O)NC[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000509664946 312122860 /nfs/dbraw/zinc/12/28/60/312122860.db2.gz QRZKRXPSFJTSJW-XVKPBYJWSA-N 0 0 327.178 3.052 10 5 EGBERN Cc1cccc(C)c1OCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000510879940 312150041 /nfs/dbraw/zinc/15/00/41/312150041.db2.gz GZGXZVMJZSMRCS-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN CC(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000512774384 312194718 /nfs/dbraw/zinc/19/47/18/312194718.db2.gz DFJRUGXOQPTKBL-UHFFFAOYSA-N 0 0 340.426 3.258 10 5 EGBERN CCN(CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424254 312209308 /nfs/dbraw/zinc/20/93/08/312209308.db2.gz FBQCHZGHQFYBQE-UHFFFAOYSA-N 0 0 334.397 3.318 10 5 EGBERN COCC1(CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000516054607 312306678 /nfs/dbraw/zinc/30/66/78/312306678.db2.gz WAYROBNFOSHMQK-ZDUSSCGKSA-N 0 0 335.404 3.080 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000516247959 312316717 /nfs/dbraw/zinc/31/67/17/312316717.db2.gz ORQICKVEJBNKOV-JKSUJKDBSA-N 0 0 327.384 3.390 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000519668850 312469220 /nfs/dbraw/zinc/46/92/20/312469220.db2.gz KGTMZKCZECFCHA-UWVGGRQHSA-N 0 0 346.305 3.159 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000531634948 313694055 /nfs/dbraw/zinc/69/40/55/313694055.db2.gz MVZIMQZGESKNCS-UHFFFAOYSA-N 0 0 328.353 3.266 10 5 EGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1 ZINC000534510723 313984338 /nfs/dbraw/zinc/98/43/38/313984338.db2.gz XAAURJNBLQKECM-UHFFFAOYSA-N 0 0 345.786 3.245 10 5 EGBERN Cc1nc(C(C)C)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535441124 314046794 /nfs/dbraw/zinc/04/67/94/314046794.db2.gz LSEVOHPOJPDFIN-UHFFFAOYSA-N 0 0 333.413 3.456 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000537138596 314163809 /nfs/dbraw/zinc/16/38/09/314163809.db2.gz YYQPSCZPSUSKEW-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN CCCCCOC1CN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000539291650 314304574 /nfs/dbraw/zinc/30/45/74/314304574.db2.gz INNNJSGCWGISNL-CYBMUJFWSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c2ccccc2n1 ZINC000539782551 314336341 /nfs/dbraw/zinc/33/63/41/314336341.db2.gz QGOYWARQIIITRA-UHFFFAOYSA-N 0 0 348.362 3.045 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000540421220 314379992 /nfs/dbraw/zinc/37/99/92/314379992.db2.gz IHMAQCVSHYTVEC-SFHVURJKSA-N 0 0 325.368 3.014 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000540943183 314421812 /nfs/dbraw/zinc/42/18/12/314421812.db2.gz PYLLZQILVMBSBO-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CCc2cccn2C)c1 ZINC000542043895 314514860 /nfs/dbraw/zinc/51/48/60/314514860.db2.gz TWEPCEXGHHYZQD-LBPRGKRZSA-N 0 0 331.372 3.153 10 5 EGBERN CC[C@H](O)CN(Cc1ccccc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000543791886 314656993 /nfs/dbraw/zinc/65/69/93/314656993.db2.gz DSUGRXUDWJVWNY-INIZCTEOSA-N 0 0 329.400 3.384 10 5 EGBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000544879697 314722618 /nfs/dbraw/zinc/72/26/18/314722618.db2.gz SCTJPBNSKYPBDG-IFXJQAMLSA-N 0 0 348.443 3.221 10 5 EGBERN CC(C)(CNc1c(Br)cncc1[N+](=O)[O-])C(F)(F)F ZINC000548873436 315057471 /nfs/dbraw/zinc/05/74/71/315057471.db2.gz UNNKADVZRZTWCL-UHFFFAOYSA-N 0 0 342.115 3.175 10 5 EGBERN CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000548880157 315058419 /nfs/dbraw/zinc/05/84/19/315058419.db2.gz UUXYHSWUJDKZJC-UHFFFAOYSA-N 0 0 336.335 3.392 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C(F)(F)F ZINC000548910896 315062295 /nfs/dbraw/zinc/06/22/95/315062295.db2.gz SLPLCZJMJMSAPK-UHFFFAOYSA-N 0 0 329.278 3.394 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3Cl)CC2)cn1 ZINC000550154506 315118402 /nfs/dbraw/zinc/11/84/02/315118402.db2.gz MSFRSMZXRQOEJW-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN O=C(NCCCCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cn1 ZINC000551339399 315150448 /nfs/dbraw/zinc/15/04/48/315150448.db2.gz SQLWPDIBWIJBAZ-UHFFFAOYSA-N 0 0 339.804 3.457 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000553601840 315272481 /nfs/dbraw/zinc/27/24/81/315272481.db2.gz QIHKIKSLLFIURL-UHFFFAOYSA-N 0 0 347.758 3.432 10 5 EGBERN CC(C)(C)C1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000560540759 315705296 /nfs/dbraw/zinc/70/52/96/315705296.db2.gz SEUFREDXNCZBKU-UHFFFAOYSA-N 0 0 344.415 3.306 10 5 EGBERN CCOc1c(F)cccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000560994629 315733726 /nfs/dbraw/zinc/73/37/26/315733726.db2.gz YJIZGBJJXBBYPP-UHFFFAOYSA-N 0 0 346.358 3.447 10 5 EGBERN CCc1nn(C)c(CC)c1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563037750 315947434 /nfs/dbraw/zinc/94/74/34/315947434.db2.gz DJRVBJLALWXIKR-UHFFFAOYSA-N 0 0 343.431 3.339 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccnc(N2CCCC2)c1 ZINC000563420418 316018328 /nfs/dbraw/zinc/01/83/28/316018328.db2.gz GBOWHDPBQODWAU-UHFFFAOYSA-N 0 0 328.372 3.211 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000563706364 316059084 /nfs/dbraw/zinc/05/90/84/316059084.db2.gz FLJBXOALKVVGAM-ZDUSSCGKSA-N 0 0 347.415 3.037 10 5 EGBERN CC(C)(C)c1cc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)no1 ZINC000563958458 316097800 /nfs/dbraw/zinc/09/78/00/316097800.db2.gz ZCCRFLBQUIDGGS-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN CC(C)Oc1nc(Sc2nnc(C3CCC3)n2C)ccc1[N+](=O)[O-] ZINC000565431512 316323803 /nfs/dbraw/zinc/32/38/03/316323803.db2.gz JEOOEPZPPHZKGA-UHFFFAOYSA-N 0 0 349.416 3.324 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)OCc1ccccc12 ZINC000566747790 316521886 /nfs/dbraw/zinc/52/18/86/316521886.db2.gz KMPJCDVLASLLKV-GOSISDBHSA-N 0 0 326.352 3.239 10 5 EGBERN NC(=O)C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1 ZINC000569123715 316869843 /nfs/dbraw/zinc/86/98/43/316869843.db2.gz CLIKCTSISLNKLN-MRXNPFEDSA-N 0 0 336.351 3.172 10 5 EGBERN CO[C@H](C)c1cccc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000569231968 316885745 /nfs/dbraw/zinc/88/57/45/316885745.db2.gz BSXNFOTVGXCREE-DYVFJYSZSA-N 0 0 346.383 3.154 10 5 EGBERN CNc1c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000570743058 317101018 /nfs/dbraw/zinc/10/10/18/317101018.db2.gz SLDGCUQATHZCKX-SFHVURJKSA-N 0 0 343.358 3.347 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000571286294 317178074 /nfs/dbraw/zinc/17/80/74/317178074.db2.gz JVZYBNYOKUEKIO-GZBFAFLISA-N 0 0 348.399 3.096 10 5 EGBERN COc1cc(CSCc2nc(C3CC3)nn2C)ccc1[N+](=O)[O-] ZINC000571881791 317261515 /nfs/dbraw/zinc/26/15/15/317261515.db2.gz BWXIXLAFRFVKPT-UHFFFAOYSA-N 0 0 334.401 3.043 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572368126 317329479 /nfs/dbraw/zinc/32/94/79/317329479.db2.gz URNPCZAWMIWUAK-ZANVPECISA-N 0 0 329.784 3.167 10 5 EGBERN Cc1ccc2c(c1)CCN2c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000573607632 317508179 /nfs/dbraw/zinc/50/81/79/317508179.db2.gz RVIYJJIHYMMPGV-UHFFFAOYSA-N 0 0 335.367 3.393 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC=CCC1 ZINC000574447060 317599081 /nfs/dbraw/zinc/59/90/81/317599081.db2.gz KHJBFBXJLIMKCV-ZDUSSCGKSA-N 0 0 328.372 3.027 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271950011 455803368 /nfs/dbraw/zinc/80/33/68/455803368.db2.gz BJQNFVVGFNIWEJ-NEPJUHHUSA-N 0 0 326.418 3.288 10 5 EGBERN Cc1cc(N[C@H]2CCCC[C@H]2O)c(Br)cc1[N+](=O)[O-] ZINC000235857568 456154500 /nfs/dbraw/zinc/15/45/00/456154500.db2.gz ABHVZRREAVMOPK-GXFFZTMASA-N 0 0 329.194 3.381 10 5 EGBERN CCc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)oc1CC ZINC000178506074 323357216 /nfs/dbraw/zinc/35/72/16/323357216.db2.gz JUMWSKMEWHGLSN-UHFFFAOYSA-N 0 0 332.356 3.251 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000179444490 323388653 /nfs/dbraw/zinc/38/86/53/323388653.db2.gz RFAAISVGNDGQMI-APPDUMDISA-N 0 0 325.368 3.352 10 5 EGBERN Cc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cccc1N(C)C ZINC000182969862 323586526 /nfs/dbraw/zinc/58/65/26/323586526.db2.gz DVCITMMFNHPLPZ-UHFFFAOYSA-N 0 0 339.355 3.098 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000577302631 324782610 /nfs/dbraw/zinc/78/26/10/324782610.db2.gz BUUCOBCUDHXWIF-ZSBFGKGUSA-N 0 0 331.416 3.258 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CSc2ccccc2O1 ZINC000579105438 325063171 /nfs/dbraw/zinc/06/31/71/325063171.db2.gz FCUVCQUIBQCWQY-NSHDSACASA-N 0 0 334.401 3.085 10 5 EGBERN CC[C@@H](C)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000579112113 325064301 /nfs/dbraw/zinc/06/43/01/325064301.db2.gz HWDNQIGOCNIFPR-MFKMUULPSA-N 0 0 348.355 3.049 10 5 EGBERN CC[C@H](C)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000579112111 325064453 /nfs/dbraw/zinc/06/44/53/325064453.db2.gz HWDNQIGOCNIFPR-GWCFXTLKSA-N 0 0 348.355 3.049 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000579220109 325079174 /nfs/dbraw/zinc/07/91/74/325079174.db2.gz PQWSDLJOZYQEFL-CQSZACIVSA-N 0 0 329.404 3.298 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1cscn1 ZINC000581081672 325328792 /nfs/dbraw/zinc/32/87/92/325328792.db2.gz CLGMXPMNLAIKLC-GHMZBOCLSA-N 0 0 334.401 3.119 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582524720 325447745 /nfs/dbraw/zinc/44/77/45/325447745.db2.gz SVACHLVFBGVFHI-UHFFFAOYSA-N 0 0 343.387 3.042 10 5 EGBERN CC(C)c1ncc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000583437382 325524202 /nfs/dbraw/zinc/52/42/02/325524202.db2.gz KGPHVZTWTSAPQL-UHFFFAOYSA-N 0 0 341.415 3.418 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189586948 455220478 /nfs/dbraw/zinc/22/04/78/455220478.db2.gz KZJDVSDJMQVASD-SNVBAGLBSA-N 0 0 349.774 3.072 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000173050667 455224877 /nfs/dbraw/zinc/22/48/77/455224877.db2.gz UYFMTTSKYXIOCF-UHFFFAOYSA-N 0 0 334.397 3.197 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000173165214 455241693 /nfs/dbraw/zinc/24/16/93/455241693.db2.gz QHQGLTUUEQCSNE-SJORKVTESA-N 0 0 346.427 3.334 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157896903 455245736 /nfs/dbraw/zinc/24/57/36/455245736.db2.gz SEYOUKNVEGHPGQ-KRWDZBQOSA-N 0 0 328.343 3.470 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000173246847 455253181 /nfs/dbraw/zinc/25/31/81/455253181.db2.gz IINRRCGFNKINRR-KDOFPFPSSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173436298 455283287 /nfs/dbraw/zinc/28/32/87/455283287.db2.gz LITMJZRMXMYHNL-AWEZNQCLSA-N 0 0 344.371 3.387 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000173562153 455306136 /nfs/dbraw/zinc/30/61/36/455306136.db2.gz QZWYYZWSMCODKD-QGZVFWFLSA-N 0 0 343.383 3.066 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCCCCC2)C1=O ZINC000600682366 460567792 /nfs/dbraw/zinc/56/77/92/460567792.db2.gz MMXQXHYQKAPDRQ-KRWDZBQOSA-N 0 0 331.372 3.085 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000183727579 455324895 /nfs/dbraw/zinc/32/48/95/455324895.db2.gz NZHPIJRTYMJINI-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN O=C(CSc1ccsc1[N+](=O)[O-])NCCCc1ccccc1 ZINC000005136174 452839979 /nfs/dbraw/zinc/83/99/79/452839979.db2.gz HKZXSTQCEMKXAT-UHFFFAOYSA-N 0 0 336.438 3.497 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000600700612 460573037 /nfs/dbraw/zinc/57/30/37/460573037.db2.gz MKBZNEOAWGHNPL-UHFFFAOYSA-N 0 0 335.310 3.021 10 5 EGBERN COc1ccc(C)cc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005689793 452895221 /nfs/dbraw/zinc/89/52/21/452895221.db2.gz CBEPREMNWDPCPH-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000007731321 453109152 /nfs/dbraw/zinc/10/91/52/453109152.db2.gz WICQZWRNFHSRHM-GFCCVEGCSA-N 0 0 331.347 3.365 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600765313 460595222 /nfs/dbraw/zinc/59/52/22/460595222.db2.gz YHADIYGDNMBFHJ-UHFFFAOYSA-N 0 0 346.408 3.126 10 5 EGBERN O=[N+]([O-])c1c(Sc2n[nH]c(-c3ccccc3)n2)nc2ccccn21 ZINC000012777381 453402842 /nfs/dbraw/zinc/40/28/42/453402842.db2.gz KBHALXXUABGRNK-UHFFFAOYSA-N 0 0 338.352 3.179 10 5 EGBERN CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000015411043 453572111 /nfs/dbraw/zinc/57/21/11/453572111.db2.gz CENKETBZFQTKLC-KRWDZBQOSA-N 0 0 341.367 3.109 10 5 EGBERN O=C(NC1(c2c(F)cccc2F)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600811877 460613657 /nfs/dbraw/zinc/61/36/57/460613657.db2.gz FEDVUTZCARQVAV-UHFFFAOYSA-N 0 0 333.294 3.077 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000021614024 453679228 /nfs/dbraw/zinc/67/92/28/453679228.db2.gz ZCTVWSQPRUXRBC-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN Cc1nc2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2o1 ZINC000025387546 453769096 /nfs/dbraw/zinc/76/90/96/453769096.db2.gz ALJQUKINQZIGGT-UHFFFAOYSA-N 0 0 341.279 3.025 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000081260455 453853867 /nfs/dbraw/zinc/85/38/67/453853867.db2.gz PZZJYNXETHUZAD-CQSZACIVSA-N 0 0 330.388 3.135 10 5 EGBERN COC(=O)c1cc(N[C@@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000075145328 453866472 /nfs/dbraw/zinc/86/64/72/453866472.db2.gz KGSDOYBPNKMZJE-INIZCTEOSA-N 0 0 344.367 3.307 10 5 EGBERN Cc1cc(C2=CCN(C(=O)[C@H]3CC=CCC3)CC2)cc([N+](=O)[O-])c1N ZINC000075148099 453867216 /nfs/dbraw/zinc/86/72/16/453867216.db2.gz BGKYHOFYDHPBEA-HNNXBMFYSA-N 0 0 341.411 3.457 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000054586654 453936598 /nfs/dbraw/zinc/93/65/98/453936598.db2.gz MCGRAWVNFFVLEV-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN Cc1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)ccc1[N+](=O)[O-] ZINC000041789603 453978529 /nfs/dbraw/zinc/97/85/29/453978529.db2.gz WGDFNGNNTBSQDS-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055466625 453987645 /nfs/dbraw/zinc/98/76/45/453987645.db2.gz KXEXFCFHSDMZCB-STQMWFEESA-N 0 0 344.367 3.248 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CNc1cccc([N+](=O)[O-])c1C ZINC000055618860 453999640 /nfs/dbraw/zinc/99/96/40/453999640.db2.gz JUQUVEIPLQVGEJ-UHFFFAOYSA-N 0 0 327.384 3.364 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000084807828 454011258 /nfs/dbraw/zinc/01/12/58/454011258.db2.gz NHHHMPXBJQFPLG-VIFPVBQESA-N 0 0 339.298 3.492 10 5 EGBERN COc1ccc(F)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000088407582 454103767 /nfs/dbraw/zinc/10/37/67/454103767.db2.gz GEEMVRYTEIJIKD-UHFFFAOYSA-N 0 0 333.319 3.107 10 5 EGBERN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000044547848 454106595 /nfs/dbraw/zinc/10/65/95/454106595.db2.gz ZKGIVGNAIBTDBX-UHFFFAOYSA-N 0 0 342.355 3.207 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nccs1 ZINC000088578142 454113257 /nfs/dbraw/zinc/11/32/57/454113257.db2.gz WQJSQHKDKGNGQO-CQSZACIVSA-N 0 0 346.412 3.270 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077734038 454148984 /nfs/dbraw/zinc/14/89/84/454148984.db2.gz MUFKERQHOYHXKN-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000089601666 454166487 /nfs/dbraw/zinc/16/64/87/454166487.db2.gz DGXOUVQYIBMHDL-MRXNPFEDSA-N 0 0 348.330 3.026 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119295843 454184851 /nfs/dbraw/zinc/18/48/51/454184851.db2.gz QHROFCSVGHPAHZ-SCLBCKFNSA-N 0 0 339.395 3.370 10 5 EGBERN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149083 454200955 /nfs/dbraw/zinc/20/09/55/454200955.db2.gz JRPYKJMXUAOOMX-MRXNPFEDSA-N 0 0 344.754 3.141 10 5 EGBERN O=C(c1coc(Br)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078236133 454213835 /nfs/dbraw/zinc/21/38/35/454213835.db2.gz DWRHUWVQRWKCQT-UHFFFAOYSA-N 0 0 337.129 3.153 10 5 EGBERN Cc1cn(C2CCOCC2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600882713 460629430 /nfs/dbraw/zinc/62/94/30/460629430.db2.gz ACSWAFAYDTWCNY-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000078369362 454242389 /nfs/dbraw/zinc/24/23/89/454242389.db2.gz AGFNVBWABLLQKN-LRDDRELGSA-N 0 0 331.347 3.404 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(-c4cccnc4)cc3)nn21 ZINC000095981602 454249288 /nfs/dbraw/zinc/24/92/88/454249288.db2.gz VXGRTNXBBBSPHR-UHFFFAOYSA-N 0 0 346.350 3.312 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c1 ZINC000078435145 454253529 /nfs/dbraw/zinc/25/35/29/454253529.db2.gz WWGDWZHNKUTBRS-OAHLLOKOSA-N 0 0 329.356 3.349 10 5 EGBERN COCCOCCc1nc(-c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000600885831 460630347 /nfs/dbraw/zinc/63/03/47/460630347.db2.gz WZDGRAXNJQERPV-UHFFFAOYSA-N 0 0 326.349 3.063 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000089993915 454257293 /nfs/dbraw/zinc/25/72/93/454257293.db2.gz HZWVXLNZDCKGHB-HNNXBMFYSA-N 0 0 342.399 3.254 10 5 EGBERN Cc1nc(-c2ccccc2)sc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000060349813 454279570 /nfs/dbraw/zinc/27/95/70/454279570.db2.gz YEKWMHPTKGBREA-UHFFFAOYSA-N 0 0 327.365 3.237 10 5 EGBERN CC[C@H](NS(=O)(=O)Cc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090222162 454295267 /nfs/dbraw/zinc/29/52/67/454295267.db2.gz LKEAVWKXQRWFDX-KRWDZBQOSA-N 0 0 348.424 3.474 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000132266154 454325766 /nfs/dbraw/zinc/32/57/66/454325766.db2.gz WHHIYBXHVOINDR-HZPDHXFCSA-N 0 0 349.431 3.354 10 5 EGBERN CC[C@H](NC(=O)NCc1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000090595327 454326545 /nfs/dbraw/zinc/32/65/45/454326545.db2.gz QDYLOAYFNIQKGB-ZDUSSCGKSA-N 0 0 334.401 3.310 10 5 EGBERN CC[C@H](NC(=O)NCC(C)(C)SC)c1cccc([N+](=O)[O-])c1 ZINC000090687393 454335596 /nfs/dbraw/zinc/33/55/96/454335596.db2.gz CUVLZFVGMRTTPX-ZDUSSCGKSA-N 0 0 325.434 3.487 10 5 EGBERN C[C@@H]1C(=O)N(Cc2csc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000047172291 454335872 /nfs/dbraw/zinc/33/58/72/454335872.db2.gz CIYPHDYYBLXOEA-SNVBAGLBSA-N 0 0 331.353 3.014 10 5 EGBERN O=C([C@H]1Cc2ccccc2S1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073303808 454418516 /nfs/dbraw/zinc/41/85/16/454418516.db2.gz ADRVJXMFKWARHC-MRXNPFEDSA-N 0 0 326.377 3.201 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cn2cccn2)no1 ZINC000073343460 454425646 /nfs/dbraw/zinc/42/56/46/454425646.db2.gz KEICJKOOLJDLPT-VIFPVBQESA-N 0 0 349.734 3.016 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000064322196 454473312 /nfs/dbraw/zinc/47/33/12/454473312.db2.gz JHGLHPXKEQZFMV-UHFFFAOYSA-N 0 0 336.369 3.259 10 5 EGBERN Cc1nc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000134064743 454499429 /nfs/dbraw/zinc/49/94/29/454499429.db2.gz LNCXHXLFPZJDRG-GFCCVEGCSA-N 0 0 327.340 3.193 10 5 EGBERN COC(=O)/C=C/c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000073935276 454503653 /nfs/dbraw/zinc/50/36/53/454503653.db2.gz CBWZMJCSLNAONR-GQCTYLIASA-N 0 0 337.382 3.092 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CCCOC2)C1 ZINC000079986285 454509616 /nfs/dbraw/zinc/50/96/16/454509616.db2.gz XSKPUMSLXYHBKV-INIZCTEOSA-N 0 0 338.791 3.281 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1ccccn1 ZINC000103375598 454551722 /nfs/dbraw/zinc/55/17/22/454551722.db2.gz ATCZXVVJDVFSGE-GFCCVEGCSA-N 0 0 343.408 3.201 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377220 454552148 /nfs/dbraw/zinc/55/21/48/454552148.db2.gz SIQASDINHQQHQR-LLVKDONJSA-N 0 0 339.351 3.145 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134531605 454556124 /nfs/dbraw/zinc/55/61/24/454556124.db2.gz BGRKAZQDDWYOMR-PXAZEXFGSA-N 0 0 345.399 3.137 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(c2cc[nH]n2)CC1 ZINC000104681607 454595600 /nfs/dbraw/zinc/59/56/00/454595600.db2.gz MBHSRDVGXVOIDN-UHFFFAOYSA-N 0 0 344.415 3.485 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(-n3ccnc3)c2)c2ncccc12 ZINC000092623962 454597270 /nfs/dbraw/zinc/59/72/70/454597270.db2.gz GCXWNJMYVROUES-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C(C)C)n2C)c1 ZINC000092641393 454597558 /nfs/dbraw/zinc/59/75/58/454597558.db2.gz ANGDFZLZEKCWPO-UHFFFAOYSA-N 0 0 326.353 3.146 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(F)(F)F)c2)c1 ZINC000092655699 454601524 /nfs/dbraw/zinc/60/15/24/454601524.db2.gz GRNIDQLIPQNOHP-UHFFFAOYSA-N 0 0 334.229 3.245 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000080806354 454637199 /nfs/dbraw/zinc/63/71/99/454637199.db2.gz FXBQGHFUKPQTGQ-NSHDSACASA-N 0 0 349.412 3.421 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000105896213 454666578 /nfs/dbraw/zinc/66/65/78/454666578.db2.gz SQIULBHAIBMFER-MRXNPFEDSA-N 0 0 332.379 3.421 10 5 EGBERN CC[C@H](NC(=O)N(C)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000152662398 454708232 /nfs/dbraw/zinc/70/82/32/454708232.db2.gz VKXUTESLAWSUTQ-INIZCTEOSA-N 0 0 335.404 3.114 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2cccnc2O1 ZINC000152788467 454725689 /nfs/dbraw/zinc/72/56/89/454725689.db2.gz OCTUJYSXRBKAND-VIFPVBQESA-N 0 0 333.731 3.071 10 5 EGBERN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084049 454759061 /nfs/dbraw/zinc/75/90/61/454759061.db2.gz AUTVFGNVEWSSEX-BBBYJDLNSA-N 0 0 345.443 3.036 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000153137336 454763809 /nfs/dbraw/zinc/76/38/09/454763809.db2.gz ZOXUURKZMMBYNE-NSHDSACASA-N 0 0 327.340 3.397 10 5 EGBERN CC[C@@H](OC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(Cl)c1 ZINC000176622546 454764733 /nfs/dbraw/zinc/76/47/33/454764733.db2.gz NSEGPSABWCVWJF-CYBMUJFWSA-N 0 0 337.763 3.448 10 5 EGBERN CCc1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000107615296 454765333 /nfs/dbraw/zinc/76/53/33/454765333.db2.gz QOAKZJKPLDGZDO-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000162409832 454773238 /nfs/dbraw/zinc/77/32/38/454773238.db2.gz VHQGDSJICCJMBT-ZDUSSCGKSA-N 0 0 326.352 3.295 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707885 454773901 /nfs/dbraw/zinc/77/39/01/454773901.db2.gz ZWLSXWMRJNPVNP-IAGOWNOFSA-N 0 0 343.383 3.079 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000162824678 454802981 /nfs/dbraw/zinc/80/29/81/454802981.db2.gz ZIQRYPGNGVLEKV-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000125215967 454804709 /nfs/dbraw/zinc/80/47/09/454804709.db2.gz ROTIJCZKLXLRAA-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191202058 455463848 /nfs/dbraw/zinc/46/38/48/455463848.db2.gz QCNQSEXYZFXEDO-DGFSRKRXSA-N 0 0 338.791 3.022 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)c1c(F)cccc1F ZINC000153823482 454837148 /nfs/dbraw/zinc/83/71/48/454837148.db2.gz WDBZTLVJAOLZAS-LLVKDONJSA-N 0 0 329.690 3.067 10 5 EGBERN CSCCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153879615 454843104 /nfs/dbraw/zinc/84/31/04/454843104.db2.gz ASMGVHHFNJDKQU-UHFFFAOYSA-N 0 0 347.234 3.230 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163494899 454850892 /nfs/dbraw/zinc/85/08/92/454850892.db2.gz WNICKWCOZNNBJX-OAHLLOKOSA-N 0 0 340.445 3.122 10 5 EGBERN CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126088112 454869192 /nfs/dbraw/zinc/86/91/92/454869192.db2.gz ZKUMPKKGHCIXTE-GFCCVEGCSA-N 0 0 326.418 3.015 10 5 EGBERN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000126153496 454874522 /nfs/dbraw/zinc/87/45/22/454874522.db2.gz APEHKLGDJZJIHF-HNNXBMFYSA-N 0 0 344.415 3.064 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000165799415 454904815 /nfs/dbraw/zinc/90/48/15/454904815.db2.gz HDPOZFUTYSPQRD-HNNXBMFYSA-N 0 0 331.328 3.102 10 5 EGBERN CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1nccs1 ZINC000150874870 454906092 /nfs/dbraw/zinc/90/60/92/454906092.db2.gz PDFDYIUMDSUBMJ-JTQLQIEISA-N 0 0 332.385 3.499 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000154717866 454923018 /nfs/dbraw/zinc/92/30/18/454923018.db2.gz TVVHPTYQYVSOCM-CVEARBPZSA-N 0 0 345.399 3.352 10 5 EGBERN CCn1ccnc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000151143885 454944190 /nfs/dbraw/zinc/94/41/90/454944190.db2.gz ADJFRMPPKCDYRD-UHFFFAOYSA-N 0 0 326.150 3.153 10 5 EGBERN Cc1c(CC(=O)N[C@@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000178736067 454970784 /nfs/dbraw/zinc/97/07/84/454970784.db2.gz GYPGCIHVFJAWCR-AWEZNQCLSA-N 0 0 342.395 3.167 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000127747365 454994100 /nfs/dbraw/zinc/99/41/00/454994100.db2.gz GOMXEZWQIFCNSE-NSHDSACASA-N 0 0 338.367 3.281 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1 ZINC000127802241 454998529 /nfs/dbraw/zinc/99/85/29/454998529.db2.gz UBJNBOHMNSVJBG-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN COC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000170963315 455006718 /nfs/dbraw/zinc/00/67/18/455006718.db2.gz GHUAWSZEWGFAQZ-UHFFFAOYSA-N 0 0 335.385 3.390 10 5 EGBERN CCCc1n[nH]c(C(=O)NCc2oc3ccccc3c2C)c1[N+](=O)[O-] ZINC000115714786 455027400 /nfs/dbraw/zinc/02/74/00/455027400.db2.gz HXRLOMOAFZLWRX-UHFFFAOYSA-N 0 0 342.355 3.255 10 5 EGBERN O=C(COc1ccc(F)cc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000171150271 455037403 /nfs/dbraw/zinc/03/74/03/455037403.db2.gz PEKMVNXUWUHBKH-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN O=C(Nc1ccc2nccnc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171196275 455044108 /nfs/dbraw/zinc/04/41/08/455044108.db2.gz OIXVRDDAFMNKQT-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c3cccnc23)c1=O ZINC000155828744 455050209 /nfs/dbraw/zinc/05/02/09/455050209.db2.gz IBRITHIEZWFHMF-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000172587503 455163297 /nfs/dbraw/zinc/16/32/97/455163297.db2.gz YOBZYHVJTXZZTB-OLZOCXBDSA-N 0 0 338.429 3.466 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172688632 455172298 /nfs/dbraw/zinc/17/22/98/455172298.db2.gz SIVLXJQTPNVIOU-LSDHHAIUSA-N 0 0 340.335 3.108 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264827003 455287555 /nfs/dbraw/zinc/28/75/55/455287555.db2.gz FPDQDQDYGZNPGP-AWEZNQCLSA-N 0 0 349.387 3.033 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](c1ccco1)c1ccccc1 ZINC000183552289 455305655 /nfs/dbraw/zinc/30/56/55/455305655.db2.gz MPOGJTMLTBNGKS-INIZCTEOSA-N 0 0 338.323 3.494 10 5 EGBERN CCOc1cccc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000184132021 455355000 /nfs/dbraw/zinc/35/50/00/455355000.db2.gz VPHXEARFACSQBA-GFCCVEGCSA-N 0 0 336.388 3.162 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000159298485 455367612 /nfs/dbraw/zinc/36/76/12/455367612.db2.gz PGWMGOXSLRZVDL-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN Cc1ccc([C@@H](C)NCc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000181763068 455380058 /nfs/dbraw/zinc/38/00/58/455380058.db2.gz DVDIYTMXXPSYLQ-GFCCVEGCSA-N 0 0 329.404 3.150 10 5 EGBERN CC(C)OC(=O)C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492390 455389297 /nfs/dbraw/zinc/38/92/97/455389297.db2.gz ZSTQCCVODHFQKS-LBPRGKRZSA-N 0 0 326.418 3.210 10 5 EGBERN COc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000174536170 455400878 /nfs/dbraw/zinc/40/08/78/455400878.db2.gz AOHGDLVRAUCCLB-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN CC(C)c1nc(C2(NC(=O)c3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000175185897 455424444 /nfs/dbraw/zinc/42/44/44/455424444.db2.gz HZINSBWIEYYCSL-UHFFFAOYSA-N 0 0 344.371 3.301 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000160324175 455448426 /nfs/dbraw/zinc/44/84/26/455448426.db2.gz ZGCCYSWEJKLOQJ-VXGBXAGGSA-N 0 0 331.397 3.348 10 5 EGBERN Cc1cc2c(cc1C)[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000184901888 455469841 /nfs/dbraw/zinc/46/98/41/455469841.db2.gz HWMQJFZEUXXSQK-INIZCTEOSA-N 0 0 326.352 3.351 10 5 EGBERN Cc1nccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000160552929 455473690 /nfs/dbraw/zinc/47/36/90/455473690.db2.gz AYSPFIMQXVIJGT-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000191481900 455488668 /nfs/dbraw/zinc/48/86/68/455488668.db2.gz BWAIRTDTLDRMHA-NSHDSACASA-N 0 0 346.412 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC)c(Cl)c2)n1 ZINC000191652338 455507251 /nfs/dbraw/zinc/50/72/51/455507251.db2.gz BYTWXQWEQRWMHL-UHFFFAOYSA-N 0 0 340.792 3.439 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000191834754 455523855 /nfs/dbraw/zinc/52/38/55/455523855.db2.gz SWVCGZNKRSWDNM-ZBEGNZNMSA-N 0 0 346.362 3.174 10 5 EGBERN Cc1nn(C)c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000267722615 455554565 /nfs/dbraw/zinc/55/45/65/455554565.db2.gz KOSCLYLSYBLBHT-CQSZACIVSA-N 0 0 346.362 3.143 10 5 EGBERN CCOC(=O)C[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000185523539 455572088 /nfs/dbraw/zinc/57/20/88/455572088.db2.gz UCLNYPWZJLIPQN-QGZVFWFLSA-N 0 0 336.388 3.001 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268159352 455606307 /nfs/dbraw/zinc/60/63/07/455606307.db2.gz OUUYYCLRUNWAHZ-OAHLLOKOSA-N 0 0 342.399 3.175 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000268210796 455620091 /nfs/dbraw/zinc/62/00/91/455620091.db2.gz KFLWZNKLSNTVNC-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN C[C@@H]1COCC[C@@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277640554 455621552 /nfs/dbraw/zinc/62/15/52/455621552.db2.gz NPLZWIKCJNMBCK-APPZFPTMSA-N 0 0 349.265 3.359 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2nc(C)cs2)C1 ZINC000192550122 455639870 /nfs/dbraw/zinc/63/98/70/455639870.db2.gz QRLDFGZJRJGBKD-LBPRGKRZSA-N 0 0 335.433 3.269 10 5 EGBERN CC(C)(NC(=O)NCc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000292451575 455667259 /nfs/dbraw/zinc/66/72/59/455667259.db2.gz YAAWXZUNHPNNEN-UHFFFAOYSA-N 0 0 348.790 3.378 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000271618477 455701988 /nfs/dbraw/zinc/70/19/88/455701988.db2.gz DOHBFFYVSQGOPA-UONOGXRCSA-N 0 0 341.415 3.462 10 5 EGBERN CC(C)C[C@@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277940323 455714874 /nfs/dbraw/zinc/71/48/74/455714874.db2.gz BROXPZALIXZYBT-ZDUSSCGKSA-N 0 0 338.407 3.230 10 5 EGBERN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248517082 455717758 /nfs/dbraw/zinc/71/77/58/455717758.db2.gz HOBZSYNVSWVWOI-COXVUDFISA-N 0 0 348.399 3.081 10 5 EGBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248851863 455734230 /nfs/dbraw/zinc/73/42/30/455734230.db2.gz QCNQSEXYZFXEDO-XEGUGMAKSA-N 0 0 338.791 3.022 10 5 EGBERN C[C@@H](NC(=O)NCC1([C@@H](C)CCO)CCC1)c1ccccc1[N+](=O)[O-] ZINC000271759629 455749680 /nfs/dbraw/zinc/74/96/80/455749680.db2.gz BCAAOUGIBAXHPI-UONOGXRCSA-N 0 0 349.431 3.144 10 5 EGBERN CCOC(=O)c1csc(COc2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC000292776151 455754158 /nfs/dbraw/zinc/75/41/58/455754158.db2.gz XWTSRSJXKORQNS-UHFFFAOYSA-N 0 0 340.332 3.255 10 5 EGBERN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000193455498 455760389 /nfs/dbraw/zinc/76/03/89/455760389.db2.gz HPNVIXJNBLTOSB-APPDUMDISA-N 0 0 331.347 3.283 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cc(Cl)ccc2C)no1 ZINC000278125229 455763840 /nfs/dbraw/zinc/76/38/40/455763840.db2.gz PIJLRGRHPADLOJ-UHFFFAOYSA-N 0 0 347.762 3.354 10 5 EGBERN CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194178824 455812117 /nfs/dbraw/zinc/81/21/17/455812117.db2.gz JPUZUWMULSTALG-KRWDZBQOSA-N 0 0 328.368 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(COCC(F)(F)C(F)F)no1 ZINC000278329909 455818824 /nfs/dbraw/zinc/81/88/24/455818824.db2.gz YESDSDPMNWWMJS-UHFFFAOYSA-N 0 0 349.240 3.370 10 5 EGBERN COc1cccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000194486494 455849556 /nfs/dbraw/zinc/84/95/56/455849556.db2.gz DYZZTKDHBIKVSP-AWEZNQCLSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc(O)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000187199371 455879842 /nfs/dbraw/zinc/87/98/42/455879842.db2.gz ZCSPFNZCGIGLPD-UHFFFAOYSA-N 0 0 344.367 3.062 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188085595 455993952 /nfs/dbraw/zinc/99/39/52/455993952.db2.gz UDIAPDHCOXPUAQ-GFCCVEGCSA-N 0 0 336.388 3.180 10 5 EGBERN CCCOc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270790384 456038823 /nfs/dbraw/zinc/03/88/23/456038823.db2.gz WSIMVTPSOCVESU-UHFFFAOYSA-N 0 0 338.751 3.023 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000296828754 456048002 /nfs/dbraw/zinc/04/80/02/456048002.db2.gz HJXXDOGRKZVWTE-NXEZZACHSA-N 0 0 345.321 3.288 10 5 EGBERN CCOCCOCc1cccc(Nc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601105486 460711792 /nfs/dbraw/zinc/71/17/92/460711792.db2.gz IEQQLYRHLDZBTR-UHFFFAOYSA-N 0 0 335.335 3.426 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCOC1CCCCC1 ZINC000601105750 460712619 /nfs/dbraw/zinc/71/26/19/460712619.db2.gz GPJDVJZWMXCUBK-UHFFFAOYSA-N 0 0 336.314 3.108 10 5 EGBERN C[C@@H]1CCCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301280751 456079588 /nfs/dbraw/zinc/07/95/88/456079588.db2.gz MJGSATUYMNVIEM-SNVBAGLBSA-N 0 0 348.371 3.360 10 5 EGBERN COc1cc(C)c(CN(C)c2ncc(F)cc2[N+](=O)[O-])cc1OC ZINC000601100943 460709213 /nfs/dbraw/zinc/70/92/13/460709213.db2.gz QJXCNVZKJLWEJQ-UHFFFAOYSA-N 0 0 335.335 3.091 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270981905 456086244 /nfs/dbraw/zinc/08/62/44/456086244.db2.gz ITXULZONSOKRIW-ZWNOBZJWSA-N 0 0 326.418 3.288 10 5 EGBERN Cc1sc(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000272953252 456123545 /nfs/dbraw/zinc/12/35/45/456123545.db2.gz MQSDYFSUZIHUDM-JTQLQIEISA-N 0 0 332.381 3.388 10 5 EGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301504217 456131671 /nfs/dbraw/zinc/13/16/71/456131671.db2.gz YXWHXEDSFVNDNV-GOEBONIOSA-N 0 0 333.413 3.202 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2nc3cc(F)ccc3[nH]2)c(Cl)c1 ZINC000301557387 456146402 /nfs/dbraw/zinc/14/64/02/456146402.db2.gz SSPLJRQFPUSMRP-UHFFFAOYSA-N 0 0 335.726 3.313 10 5 EGBERN CC(C)c1cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)on1 ZINC000601116682 460716433 /nfs/dbraw/zinc/71/64/33/460716433.db2.gz NYVRAWIMHKDKGT-UHFFFAOYSA-N 0 0 333.270 3.071 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301643539 456171260 /nfs/dbraw/zinc/17/12/60/456171260.db2.gz ZUYIXCJMWDDUDM-JTQLQIEISA-N 0 0 332.385 3.077 10 5 EGBERN CC(C)(C)c1nnc(COC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000281245695 456177854 /nfs/dbraw/zinc/17/78/54/456177854.db2.gz QIARHNUOCQUANL-UHFFFAOYSA-N 0 0 335.385 3.030 10 5 EGBERN Cc1c(CC(=O)OCc2nnc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000281284071 456189085 /nfs/dbraw/zinc/18/90/85/456189085.db2.gz TVYGNVHLVAMBQS-UHFFFAOYSA-N 0 0 349.412 3.338 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCC[C@H](C4CC4)C3)cc2N1 ZINC000301705326 456192579 /nfs/dbraw/zinc/19/25/79/456192579.db2.gz VHVUFRFTDWYGSI-NWDGAFQWSA-N 0 0 331.372 3.306 10 5 EGBERN Cc1cc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000301784569 456213957 /nfs/dbraw/zinc/21/39/57/456213957.db2.gz UPBLCKAHJCSPDO-CQSZACIVSA-N 0 0 335.404 3.397 10 5 EGBERN Cc1oc(C(C)C)nc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290014873 456216667 /nfs/dbraw/zinc/21/66/67/456216667.db2.gz GXWPRDXLKNTBKG-UHFFFAOYSA-N 0 0 329.316 3.050 10 5 EGBERN CCc1cnc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601120307 460718707 /nfs/dbraw/zinc/71/87/07/460718707.db2.gz JNMCQSWUOVXRSG-UHFFFAOYSA-N 0 0 349.338 3.021 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1noc2c1CCCC2 ZINC000290060105 456229079 /nfs/dbraw/zinc/22/90/79/456229079.db2.gz JIGFEASIEVGNIJ-UHFFFAOYSA-N 0 0 349.774 3.353 10 5 EGBERN COc1cc(NCCC[C@H]2CCCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000301946315 456257431 /nfs/dbraw/zinc/25/74/31/456257431.db2.gz ZZMHWSPTZYDTSI-ABAIWWIYSA-N 0 0 326.368 3.486 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C3CCC3)n2C)c1 ZINC000302033701 456272251 /nfs/dbraw/zinc/27/22/51/456272251.db2.gz DHYSMDDLRUOBPG-UHFFFAOYSA-N 0 0 338.364 3.290 10 5 EGBERN CCCCn1ncc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1C ZINC000601132690 460725366 /nfs/dbraw/zinc/72/53/66/460725366.db2.gz NBGJTZDBTMTIQK-UHFFFAOYSA-N 0 0 346.313 3.396 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCC(F)(F)CC1 ZINC000601136795 460727091 /nfs/dbraw/zinc/72/70/91/460727091.db2.gz XPTYOWLNWWPZJG-UHFFFAOYSA-N 0 0 328.241 3.337 10 5 EGBERN CO[C@@H](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000347723278 456327718 /nfs/dbraw/zinc/32/77/18/456327718.db2.gz QYMLJEOPYRLGHN-LBPRGKRZSA-N 0 0 349.309 3.301 10 5 EGBERN Cc1csc(NC2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000302298328 456333050 /nfs/dbraw/zinc/33/30/50/456333050.db2.gz YBGUNLNNJNQGSM-UHFFFAOYSA-N 0 0 333.417 3.144 10 5 EGBERN CC(C)C[C@@H](CO)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000302358189 456336095 /nfs/dbraw/zinc/33/60/95/456336095.db2.gz FCBKXJACWYGRTJ-NSHDSACASA-N 0 0 331.210 3.201 10 5 EGBERN NC(=O)c1ccnc(Nc2cccc(OC3CCCC3)c2)c1[N+](=O)[O-] ZINC000290490902 456342772 /nfs/dbraw/zinc/34/27/72/456342772.db2.gz JELGBSIYZXDLLZ-UHFFFAOYSA-N 0 0 342.355 3.154 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(O)CCCC(C)(C)C2)c1 ZINC000302523155 456353882 /nfs/dbraw/zinc/35/38/82/456353882.db2.gz YPFWCZJYPWHYMK-MRXNPFEDSA-N 0 0 326.368 3.486 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC000290589140 456376044 /nfs/dbraw/zinc/37/60/44/456376044.db2.gz XWABROZWDALHQE-DOMZBBRYSA-N 0 0 327.388 3.159 10 5 EGBERN Cc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c2ccccc2n1 ZINC000347804186 456376576 /nfs/dbraw/zinc/37/65/76/456376576.db2.gz OHVVAWZMPDDMMN-UHFFFAOYSA-N 0 0 334.379 3.405 10 5 EGBERN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337563639 456382693 /nfs/dbraw/zinc/38/26/93/456382693.db2.gz OOAJMKADODXPSH-UHFFFAOYSA-N 0 0 349.774 3.012 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)C1 ZINC000302739712 456388346 /nfs/dbraw/zinc/38/83/46/456388346.db2.gz CJHMOLNEUJZNSS-BLLLJJGKSA-N 0 0 338.429 3.015 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302741500 456389251 /nfs/dbraw/zinc/38/92/51/456389251.db2.gz RHXSQAKOCHKTTN-QGZVFWFLSA-N 0 0 343.358 3.255 10 5 EGBERN COC(=O)c1cnc(N2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000302784489 456399810 /nfs/dbraw/zinc/39/98/10/456399810.db2.gz UVJOHYGHUXVZIO-KRWDZBQOSA-N 0 0 331.372 3.103 10 5 EGBERN Cc1ccc(C(=O)N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)s1 ZINC000302789144 456401663 /nfs/dbraw/zinc/40/16/63/456401663.db2.gz DMZVHWGICMYVCF-UHFFFAOYSA-N 0 0 349.387 3.066 10 5 EGBERN Cc1ccc(C(=O)N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302793733 456403031 /nfs/dbraw/zinc/40/30/31/456403031.db2.gz HKDSTXRBNPOSFG-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000347848628 456403207 /nfs/dbraw/zinc/40/32/07/456403207.db2.gz OEWSQYWCJOXGLF-JOYOIKCWSA-N 0 0 348.346 3.486 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000347873705 456420042 /nfs/dbraw/zinc/42/00/42/456420042.db2.gz MRBNKDRZSGAVFD-PSASIEDQSA-N 0 0 332.278 3.016 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340393533 456434400 /nfs/dbraw/zinc/43/44/00/456434400.db2.gz KQGJHKODBKTCCP-KRWDZBQOSA-N 0 0 341.367 3.270 10 5 EGBERN Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000343225519 456464462 /nfs/dbraw/zinc/46/44/62/456464462.db2.gz SQDSQWYAXDOHCM-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000276430399 456479211 /nfs/dbraw/zinc/47/92/11/456479211.db2.gz POGLLTXKPLSXOW-CJNGLKHVSA-N 0 0 349.431 3.472 10 5 EGBERN CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444584 456516233 /nfs/dbraw/zinc/51/62/33/456516233.db2.gz NHLQBKXGXKLGCM-SWLSCSKDSA-N 0 0 344.415 3.455 10 5 EGBERN CC(=O)[C@@H](C)CCCCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282478909 456527386 /nfs/dbraw/zinc/52/73/86/456527386.db2.gz LMOAFGFBFFFSDB-AWEZNQCLSA-N 0 0 334.416 3.381 10 5 EGBERN Cc1nc2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2o1 ZINC000348294871 456602483 /nfs/dbraw/zinc/60/24/83/456602483.db2.gz TWLGOMANNGULRP-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN Cc1cn([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nc1[N+](=O)[O-] ZINC000337936255 456609036 /nfs/dbraw/zinc/60/90/36/456609036.db2.gz HKEIEAHOJVGAFO-AWEZNQCLSA-N 0 0 330.388 3.098 10 5 EGBERN COc1cc(C(=O)N2CCc3cc(F)c(F)cc32)ccc1[N+](=O)[O-] ZINC000338001468 456648813 /nfs/dbraw/zinc/64/88/13/456648813.db2.gz PWYWIAMPEFVYOI-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OC2CCCCC2)cc1 ZINC000340769219 456676059 /nfs/dbraw/zinc/67/60/59/456676059.db2.gz BICLIJFYCRISEW-UHFFFAOYSA-N 0 0 344.371 3.142 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348454483 456693028 /nfs/dbraw/zinc/69/30/28/456693028.db2.gz YFYWPFLREHBSPW-WCBMZHEXSA-N 0 0 347.293 3.408 10 5 EGBERN COc1ncc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000340884346 456740053 /nfs/dbraw/zinc/74/00/53/456740053.db2.gz QCEWNQFDHSDMDK-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000338294515 456752692 /nfs/dbraw/zinc/75/26/92/456752692.db2.gz DKANEHYJYGNKJZ-UHFFFAOYSA-N 0 0 337.376 3.284 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCSC2(CCOCC2)C1 ZINC000291773406 456752989 /nfs/dbraw/zinc/75/29/89/456752989.db2.gz CALMWCZDCVBBGB-UHFFFAOYSA-N 0 0 345.424 3.245 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OC(C)C)nc1 ZINC000299672079 456760828 /nfs/dbraw/zinc/76/08/28/456760828.db2.gz STAZTNBBFOPUNS-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1nc(-c2ccccc2F)cs1 ZINC000340923359 456764429 /nfs/dbraw/zinc/76/44/29/456764429.db2.gz NBJNSLCYAWNSFY-UHFFFAOYSA-N 0 0 330.344 3.286 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccnc1N(C)C ZINC000344013948 456788423 /nfs/dbraw/zinc/78/84/23/456788423.db2.gz OPVLOCJUMGQWSM-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN CC1(C)CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340995337 456807284 /nfs/dbraw/zinc/80/72/84/456807284.db2.gz QWXBILVDNSAUEZ-UHFFFAOYSA-N 0 0 334.420 3.275 10 5 EGBERN COc1ccc(CNc2cc(C)n([C@@H](C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000344302457 456815669 /nfs/dbraw/zinc/81/56/69/456815669.db2.gz LHLGVMFONSNCSN-LBPRGKRZSA-N 0 0 330.388 3.113 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](c2ccccc2)O1 ZINC000348741354 456835832 /nfs/dbraw/zinc/83/58/32/456835832.db2.gz HMPUGVDAFVTHFW-NHYWBVRUSA-N 0 0 331.347 3.283 10 5 EGBERN CC(C)(C)CC[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000277523756 456851756 /nfs/dbraw/zinc/85/17/56/456851756.db2.gz XYKLUTQRDZBKHI-LLVKDONJSA-N 0 0 339.779 3.499 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccncn2)no1 ZINC000339069651 456925993 /nfs/dbraw/zinc/92/59/93/456925993.db2.gz KBGFEVGIMYMBLY-MRVPVSSYSA-N 0 0 347.718 3.228 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000339078334 456929534 /nfs/dbraw/zinc/92/95/34/456929534.db2.gz SSNIRGTXFLDKJQ-BMIGLBTASA-N 0 0 330.315 3.028 10 5 EGBERN O=C(N[C@H]1C[C@@H]1C(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000345810864 456997717 /nfs/dbraw/zinc/99/77/17/456997717.db2.gz SPKJGEPJSVTDSD-WFASDCNBSA-N 0 0 328.318 3.065 10 5 EGBERN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000339227992 457003118 /nfs/dbraw/zinc/00/31/18/457003118.db2.gz AUGOLBXZQKSYKD-UHFFFAOYSA-N 0 0 349.253 3.163 10 5 EGBERN CN(Cc1ccoc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358871365 457015462 /nfs/dbraw/zinc/01/54/62/457015462.db2.gz FPDQZWHXPMQVBB-UHFFFAOYSA-N 0 0 326.255 3.061 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000362636612 457017943 /nfs/dbraw/zinc/01/79/43/457017943.db2.gz NBOGZMFUUFXRID-UHFFFAOYSA-N 0 0 334.416 3.237 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000362649595 457025784 /nfs/dbraw/zinc/02/57/84/457025784.db2.gz QVWSUGIVLVNMGW-UHFFFAOYSA-N 0 0 346.427 3.463 10 5 EGBERN COc1c(C(=O)Nc2c[nH]nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000356512613 457030153 /nfs/dbraw/zinc/03/01/53/457030153.db2.gz IXZSIWLQOSJZAG-UHFFFAOYSA-N 0 0 338.323 3.246 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000359087206 457050662 /nfs/dbraw/zinc/05/06/62/457050662.db2.gz XFTYZOIFBRQKQU-HNNXBMFYSA-N 0 0 329.400 3.384 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2Cn2cccn2)n1 ZINC000359087212 457051425 /nfs/dbraw/zinc/05/14/25/457051425.db2.gz XGPAVIJWYBFSBJ-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN COCCN(Cc1scnc1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000362849089 457122881 /nfs/dbraw/zinc/12/28/81/457122881.db2.gz FJXAETYAHMSJOT-UHFFFAOYSA-N 0 0 342.808 3.061 10 5 EGBERN CCOC[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000356706918 457126879 /nfs/dbraw/zinc/12/68/79/457126879.db2.gz UITBKCMIHWDYKW-LLVKDONJSA-N 0 0 348.321 3.405 10 5 EGBERN COc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000359959493 457172024 /nfs/dbraw/zinc/17/20/24/457172024.db2.gz OGVSHJMTIPYGDH-GFCCVEGCSA-N 0 0 342.351 3.498 10 5 EGBERN Cc1ccc(CC[C@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)o1 ZINC000342265827 457199422 /nfs/dbraw/zinc/19/94/22/457199422.db2.gz AVPLHEXSBLUSSM-JTQLQIEISA-N 0 0 342.355 3.000 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000360011143 457202798 /nfs/dbraw/zinc/20/27/98/457202798.db2.gz TWCBTQJRZVOYTK-CHWSQXEVSA-N 0 0 348.399 3.312 10 5 EGBERN Cn1cnc2cc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)ccc21 ZINC000356896975 457206359 /nfs/dbraw/zinc/20/63/59/457206359.db2.gz SKSHCSKMHVYHAJ-UHFFFAOYSA-N 0 0 327.325 3.260 10 5 EGBERN COc1cc(CN2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773919 457261151 /nfs/dbraw/zinc/26/11/51/457261151.db2.gz YNMFAUKHOHJCGA-CQSZACIVSA-N 0 0 338.379 3.134 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000347162785 457263421 /nfs/dbraw/zinc/26/34/21/457263421.db2.gz OCWOPGGWZOIMDG-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)COC3)c1 ZINC000360130955 457268017 /nfs/dbraw/zinc/26/80/17/457268017.db2.gz ZLHZQBLIIRDWJK-UHFFFAOYSA-N 0 0 328.324 3.024 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ccnc3ccncc32)cc1[N+](=O)[O-] ZINC000354527404 457272291 /nfs/dbraw/zinc/27/22/91/457272291.db2.gz BVSCOSLSNPJUOG-GFCCVEGCSA-N 0 0 336.351 3.337 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccc(-n3cccn3)n2)no1 ZINC000357020284 457281878 /nfs/dbraw/zinc/28/18/78/457281878.db2.gz PLFJSFYYPVFRGG-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000363392144 457309193 /nfs/dbraw/zinc/30/91/93/457309193.db2.gz CQTIVZFRELSHFJ-ZDUSSCGKSA-N 0 0 329.331 3.067 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC2CCC1CC2 ZINC000351683849 457311577 /nfs/dbraw/zinc/31/15/77/457311577.db2.gz PNTCBILARJJLPR-ZUEPYMLJSA-N 0 0 327.384 3.244 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1[nH]nc2ccc(Cl)cc21 ZINC000342559275 457366274 /nfs/dbraw/zinc/36/62/74/457366274.db2.gz YGURJIIMIAJENY-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000373886859 457385870 /nfs/dbraw/zinc/38/58/70/457385870.db2.gz GRSGZJCDFNLXNI-UMSPYCQHSA-N 0 0 348.790 3.210 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncccc1O ZINC000352506950 457424360 /nfs/dbraw/zinc/42/43/60/457424360.db2.gz ITKMEOGEDSVCOM-UHFFFAOYSA-N 0 0 347.396 3.126 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425076285 457431364 /nfs/dbraw/zinc/43/13/64/457431364.db2.gz NQWRHMLHCWPHHT-UHFFFAOYSA-N 0 0 349.131 3.085 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCCC(F)(F)C1 ZINC000342661796 457437015 /nfs/dbraw/zinc/43/70/15/457437015.db2.gz KVIKJHBXFTXTFV-QMMMGPOBSA-N 0 0 334.269 3.110 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342671271 457444401 /nfs/dbraw/zinc/44/44/01/457444401.db2.gz CHGJPOORCXTXMB-SJKOYZFVSA-N 0 0 335.404 3.294 10 5 EGBERN Cc1c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026242 457445835 /nfs/dbraw/zinc/44/58/35/457445835.db2.gz JBFOQYBSGUKTMW-DEYYWGMASA-N 0 0 334.416 3.062 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000369889978 457446793 /nfs/dbraw/zinc/44/67/93/457446793.db2.gz VSUVVKQQQWCRRC-LBPRGKRZSA-N 0 0 342.399 3.493 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000360961575 457469143 /nfs/dbraw/zinc/46/91/43/457469143.db2.gz SDQWJTHEZVHWKC-WFASDCNBSA-N 0 0 330.388 3.086 10 5 EGBERN COc1ccc(CCCNc2ccc([N+](=O)[O-])c(N)c2F)cc1OC ZINC000356193280 457521495 /nfs/dbraw/zinc/52/14/95/457521495.db2.gz JQKDMZVIZNZPIJ-UHFFFAOYSA-N 0 0 349.362 3.378 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ncsc1Br ZINC000361029906 457527457 /nfs/dbraw/zinc/52/74/57/457527457.db2.gz JTGZTFBTIOVCRF-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN CCc1cnc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)o1 ZINC000356259228 457552992 /nfs/dbraw/zinc/55/29/92/457552992.db2.gz XGJUOQXPNJATSC-UHFFFAOYSA-N 0 0 347.374 3.162 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425439401 457554391 /nfs/dbraw/zinc/55/43/91/457554391.db2.gz BOERMXKYQSWIRU-AEFFLSMTSA-N 0 0 343.358 3.074 10 5 EGBERN C[C@@H]1c2ccccc2CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072190 457562946 /nfs/dbraw/zinc/56/29/46/457562946.db2.gz FPBNCEIRLYTYLR-FZKQIMNGSA-N 0 0 337.379 3.277 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000352736860 457569340 /nfs/dbraw/zinc/56/93/40/457569340.db2.gz TUGGRPCRPUVHJJ-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN CNc1c(C(=O)N(C)CCOc2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000361148016 457613851 /nfs/dbraw/zinc/61/38/51/457613851.db2.gz ZOTGZXFRMYFZNE-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN O=C(c1ccccc1)c1ccc(NCCc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000357635167 457633860 /nfs/dbraw/zinc/63/38/60/457633860.db2.gz ZWZOJVDZZSDMDY-UHFFFAOYSA-N 0 0 336.351 3.204 10 5 EGBERN Cn1c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1[N+](=O)[O-] ZINC000357679930 457651910 /nfs/dbraw/zinc/65/19/10/457651910.db2.gz BWYKMPDBTAUEMK-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC000357704995 457663536 /nfs/dbraw/zinc/66/35/36/457663536.db2.gz GWKFXSMNGGYLSY-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587719 457678066 /nfs/dbraw/zinc/67/80/66/457678066.db2.gz IZGMDSWCBQKFIO-BZNIZROVSA-N 0 0 329.331 3.352 10 5 EGBERN COc1cc(N2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000374679278 457686013 /nfs/dbraw/zinc/68/60/13/457686013.db2.gz NCURTEUUKRUNJO-ZDUSSCGKSA-N 0 0 331.347 3.207 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cnccc2C)c1 ZINC000357798403 457694013 /nfs/dbraw/zinc/69/40/13/457694013.db2.gz CKFPCCFZQHLTFW-UHFFFAOYSA-N 0 0 331.397 3.292 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2C)cc1OC ZINC000357804461 457696162 /nfs/dbraw/zinc/69/61/62/457696162.db2.gz JGZGBTNYIHYNJJ-GFCCVEGCSA-N 0 0 336.388 3.407 10 5 EGBERN COc1ccc(F)cc1CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357861324 457715576 /nfs/dbraw/zinc/71/55/76/457715576.db2.gz YDWLIQLRVDNEMP-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN C[C@H]1N(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000364938571 457718392 /nfs/dbraw/zinc/71/83/92/457718392.db2.gz CVFHTHFSKIZGOL-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000374848246 457719382 /nfs/dbraw/zinc/71/93/82/457719382.db2.gz VGVOIKOOIVUKNR-AWEZNQCLSA-N 0 0 345.359 3.435 10 5 EGBERN CC(C)CCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000357904344 457729279 /nfs/dbraw/zinc/72/92/79/457729279.db2.gz CLNDZXNFARFXAK-UHFFFAOYSA-N 0 0 332.360 3.006 10 5 EGBERN CC(=O)c1ccc(N2CCC(c3nccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000374929094 457736155 /nfs/dbraw/zinc/73/61/55/457736155.db2.gz PEQXZYRERXGBFJ-UHFFFAOYSA-N 0 0 340.383 3.280 10 5 EGBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cnn1C(C)(C)C ZINC000361548376 457788535 /nfs/dbraw/zinc/78/85/35/457788535.db2.gz YXLYEBQVGYIUNL-NSHDSACASA-N 0 0 342.399 3.446 10 5 EGBERN CC(C)C1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443758814 457810565 /nfs/dbraw/zinc/81/05/65/457810565.db2.gz RKAVTUMBTBNKOU-UHFFFAOYSA-N 0 0 340.445 3.229 10 5 EGBERN Cn1c(C(=O)N2CCOc3c2cccc3C(C)(C)C)ccc1[N+](=O)[O-] ZINC000444492292 457902433 /nfs/dbraw/zinc/90/24/33/457902433.db2.gz NHGKPGUQGKEFFQ-UHFFFAOYSA-N 0 0 343.383 3.270 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000375381659 457905520 /nfs/dbraw/zinc/90/55/20/457905520.db2.gz SUGCSWPUPGFJSE-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000426803064 457905940 /nfs/dbraw/zinc/90/59/40/457905940.db2.gz KACRNAUSMNAKFY-SFHVURJKSA-N 0 0 342.395 3.469 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000361857491 457912623 /nfs/dbraw/zinc/91/26/23/457912623.db2.gz AZQOTPZHQFEQGA-ZDUSSCGKSA-N 0 0 349.412 3.437 10 5 EGBERN CCOC[C@H]1CCCCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000458061662 457918224 /nfs/dbraw/zinc/91/82/24/457918224.db2.gz FDWXTSBZYZHFFY-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)nn(C)c1C ZINC000444690804 457941699 /nfs/dbraw/zinc/94/16/99/457941699.db2.gz VOKHCOTUPWWRFZ-CYBMUJFWSA-N 0 0 342.403 3.062 10 5 EGBERN C[C@H]1COCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000375537366 457964596 /nfs/dbraw/zinc/96/45/96/457964596.db2.gz NTRORCQCAOLOSU-GFCCVEGCSA-N 0 0 335.404 3.393 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000375536072 457965086 /nfs/dbraw/zinc/96/50/86/457965086.db2.gz SRXOIVHZBZNCOR-HNNXBMFYSA-N 0 0 343.774 3.246 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000427620665 458008650 /nfs/dbraw/zinc/00/86/50/458008650.db2.gz JFSZKHMYKGFMNV-GFCCVEGCSA-N 0 0 344.367 3.060 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000362023219 458010621 /nfs/dbraw/zinc/01/06/21/458010621.db2.gz GSQQGDGMFVLTBO-JOYOIKCWSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(NCc1cccc(O)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445174781 458023269 /nfs/dbraw/zinc/02/32/69/458023269.db2.gz BBCDMPQMIZGVQB-UHFFFAOYSA-N 0 0 344.370 3.317 10 5 EGBERN CCC(=Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)CC ZINC000445722143 458082139 /nfs/dbraw/zinc/08/21/39/458082139.db2.gz HTBHMSWOKGNIFJ-UHFFFAOYSA-N 0 0 344.371 3.040 10 5 EGBERN COC1CCC(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428135392 458084386 /nfs/dbraw/zinc/08/43/86/458084386.db2.gz FKZBXPMAYMXCBD-FUJMWEONSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000369122615 458091191 /nfs/dbraw/zinc/09/11/91/458091191.db2.gz SERPVSOUOFSNKW-MRXNPFEDSA-N 0 0 336.294 3.346 10 5 EGBERN C[C@H](NC(=O)NC[C@@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000458611422 458110377 /nfs/dbraw/zinc/11/03/77/458110377.db2.gz DSRMZYSCFDIXPD-ZFWWWQNUSA-N 0 0 349.431 3.144 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000428372005 458129073 /nfs/dbraw/zinc/12/90/73/458129073.db2.gz HQCDYBILUJDNMD-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CCc1nc([C@H]2CCCCN2Cc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000369234052 458137273 /nfs/dbraw/zinc/13/72/73/458137273.db2.gz AMTKWGBOCARSCO-CQSZACIVSA-N 0 0 346.387 3.276 10 5 EGBERN Cc1n[nH]cc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375978740 458148771 /nfs/dbraw/zinc/14/87/71/458148771.db2.gz CVKVTGIDRPDIJL-UHFFFAOYSA-N 0 0 348.790 3.300 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412376525 458184761 /nfs/dbraw/zinc/18/47/61/458184761.db2.gz IHNQZCXSOUTISE-RNJTYBCJSA-N 0 0 346.427 3.266 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412376527 458185469 /nfs/dbraw/zinc/18/54/69/458185469.db2.gz IHNQZCXSOUTISE-RUGDWHBFSA-N 0 0 346.427 3.266 10 5 EGBERN C[C@@H](NC(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000446508830 458193823 /nfs/dbraw/zinc/19/38/23/458193823.db2.gz ZMFMHYVFBYBAPC-FZKQIMNGSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H](C2CCC2)C1 ZINC000412436246 458201654 /nfs/dbraw/zinc/20/16/54/458201654.db2.gz BYYJPWCHLNQXHJ-CQSZACIVSA-N 0 0 346.408 3.451 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc2ncsc2c1 ZINC000362499953 458221812 /nfs/dbraw/zinc/22/18/12/458221812.db2.gz QSXPIAPVLDBSFN-VIFPVBQESA-N 0 0 342.380 3.278 10 5 EGBERN O=c1cc(C2CC2)nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000436247037 458275153 /nfs/dbraw/zinc/27/51/53/458275153.db2.gz MLWICZPHSPXZPX-UHFFFAOYSA-N 0 0 333.369 3.139 10 5 EGBERN Cc1ccnc(N2CCCN(c3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000376463239 458308198 /nfs/dbraw/zinc/30/81/98/458308198.db2.gz SIIHJIALNTWNMW-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN C[C@H](NC(=O)c1cn(C)nc1-c1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000447552967 458309833 /nfs/dbraw/zinc/30/98/33/458309833.db2.gz XOOWTDRPKWFUQU-NSHDSACASA-N 0 0 340.339 3.079 10 5 EGBERN CC(C)c1nc(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cs1 ZINC000447675644 458327998 /nfs/dbraw/zinc/32/79/98/458327998.db2.gz NWVMSBGDQCUBTP-UHFFFAOYSA-N 0 0 331.401 3.128 10 5 EGBERN CCCCCn1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)n1 ZINC000447680540 458329214 /nfs/dbraw/zinc/32/92/14/458329214.db2.gz HTVHODRJSYIGAB-UHFFFAOYSA-N 0 0 342.403 3.200 10 5 EGBERN COCCC1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCCC1 ZINC000447684472 458329839 /nfs/dbraw/zinc/32/98/39/458329839.db2.gz BCVFBEVRMOWZGC-UHFFFAOYSA-N 0 0 332.404 3.292 10 5 EGBERN CC(C)Oc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447686813 458330126 /nfs/dbraw/zinc/33/01/26/458330126.db2.gz GVAQBXKUBGEANH-UHFFFAOYSA-N 0 0 326.356 3.292 10 5 EGBERN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000430212748 458422439 /nfs/dbraw/zinc/42/24/39/458422439.db2.gz PQNBYQRNCAUXSI-MRXNPFEDSA-N 0 0 334.347 3.220 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCC34CCOCC4)cs2)c1 ZINC000373209603 458429748 /nfs/dbraw/zinc/42/97/48/458429748.db2.gz LPHYDHNTQUDKOS-UHFFFAOYSA-N 0 0 345.424 3.473 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(F)cc(F)c1F ZINC000431074034 458524364 /nfs/dbraw/zinc/52/43/64/458524364.db2.gz PBAOICASZDGXAN-UHFFFAOYSA-N 0 0 339.273 3.371 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438143919 458541287 /nfs/dbraw/zinc/54/12/87/458541287.db2.gz QMSDISNAAWWIOX-NQCMUKECSA-N 0 0 340.379 3.207 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438143918 458541407 /nfs/dbraw/zinc/54/14/07/458541407.db2.gz QMSDISNAAWWIOX-JMERFSKESA-N 0 0 340.379 3.207 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000373697082 458576104 /nfs/dbraw/zinc/57/61/04/458576104.db2.gz ZGLFLBRFWRYAMZ-UHFFFAOYSA-N 0 0 342.399 3.461 10 5 EGBERN COc1cc(CN[C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207963 458583910 /nfs/dbraw/zinc/58/39/10/458583910.db2.gz XVSZSPUCQFMZNY-DLBZAZTESA-N 0 0 332.331 3.036 10 5 EGBERN CCN(C[C@@H](C)OC)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462088333 458595352 /nfs/dbraw/zinc/59/53/52/458595352.db2.gz HLAQOTJAFHKGPY-CQSZACIVSA-N 0 0 345.399 3.430 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000438892078 458628040 /nfs/dbraw/zinc/62/80/40/458628040.db2.gz BUKDMDGDKRSPLG-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN CCc1ccc(C(=O)NCCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000470898389 458660411 /nfs/dbraw/zinc/66/04/11/458660411.db2.gz RIUYTKQSTMGKBW-UHFFFAOYSA-N 0 0 342.395 3.452 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456396528 458662805 /nfs/dbraw/zinc/66/28/05/458662805.db2.gz BBWGUFZIUBPTHT-OAHLLOKOSA-N 0 0 348.790 3.199 10 5 EGBERN COC[C@](C)(NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000439156380 458664041 /nfs/dbraw/zinc/66/40/41/458664041.db2.gz CYPNQDRBKBLCKU-AWEZNQCLSA-N 0 0 348.321 3.415 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955505 458668148 /nfs/dbraw/zinc/66/81/48/458668148.db2.gz LWMQWSWZOXYRKE-QWRGUYRKSA-N 0 0 345.321 3.114 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H](F)C1 ZINC000424798083 458735004 /nfs/dbraw/zinc/73/50/04/458735004.db2.gz XNDROZIUXDWNFE-AAEUAGOBSA-N 0 0 328.771 3.435 10 5 EGBERN C/C=C\C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000432903845 458810302 /nfs/dbraw/zinc/81/03/02/458810302.db2.gz WMADBYHTENUUMO-PKXJPQMGSA-N 0 0 326.780 3.236 10 5 EGBERN COc1cc(CN(C)Cc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000440466914 458814580 /nfs/dbraw/zinc/81/45/80/458814580.db2.gz QIURZVJHXYYESS-UHFFFAOYSA-N 0 0 330.388 3.149 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000465744340 458846808 /nfs/dbraw/zinc/84/68/08/458846808.db2.gz CNDXTANOBJXYBN-IRXDYDNUSA-N 0 0 331.416 3.405 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000474293230 458874977 /nfs/dbraw/zinc/87/49/77/458874977.db2.gz QMPGJPGCERCHNO-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000566466475 458942963 /nfs/dbraw/zinc/94/29/63/458942963.db2.gz PVBZYWZESBVNNV-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN CC(C)(C)c1nc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC000566738131 458992329 /nfs/dbraw/zinc/99/23/29/458992329.db2.gz MUNMWDXTMODWOT-UHFFFAOYSA-N 0 0 347.440 3.438 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531881226 458993778 /nfs/dbraw/zinc/99/37/78/458993778.db2.gz CPPALSMNDWCETE-HZPDHXFCSA-N 0 0 325.368 3.446 10 5 EGBERN CCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000531888444 458995635 /nfs/dbraw/zinc/99/56/35/458995635.db2.gz OLZIDBCGCVXVGT-UHFFFAOYSA-N 0 0 328.353 3.414 10 5 EGBERN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888100 458995652 /nfs/dbraw/zinc/99/56/52/458995652.db2.gz VSOALSJKCXKFFF-UWVGGRQHSA-N 0 0 331.294 3.088 10 5 EGBERN CSCCCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000566808029 459003752 /nfs/dbraw/zinc/00/37/52/459003752.db2.gz YCQZVPKYJVYSLK-UHFFFAOYSA-N 0 0 343.424 3.126 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)[C@@]12CCCO2 ZINC000567044861 459040138 /nfs/dbraw/zinc/04/01/38/459040138.db2.gz OGIOZQSLPMQFOB-NUJGCVRESA-N 0 0 347.415 3.007 10 5 EGBERN CC(C)n1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC000532391235 459078933 /nfs/dbraw/zinc/07/89/33/459078933.db2.gz AKLCMNFGUCDNGL-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178788 459098570 /nfs/dbraw/zinc/09/85/70/459098570.db2.gz BBSJFNOQIWHXLO-AZFSHXRASA-N 0 0 348.443 3.452 10 5 EGBERN O=c1[nH]c(N[C@H](C2CC2)[C@@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000594589137 459099773 /nfs/dbraw/zinc/09/97/73/459099773.db2.gz CBAFFHADCVDPFV-LSDHHAIUSA-N 0 0 344.371 3.003 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590401667 459125194 /nfs/dbraw/zinc/12/51/94/459125194.db2.gz NHSOKHGCVSOZSO-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc2c(c1)CCOC2 ZINC000594707329 459135135 /nfs/dbraw/zinc/13/51/35/459135135.db2.gz PNCDBWJEOZJCHN-UHFFFAOYSA-N 0 0 341.367 3.027 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1oc(C(C)C)nc1C ZINC000590561518 459149494 /nfs/dbraw/zinc/14/94/94/459149494.db2.gz BXECNJLXYCDYNX-UHFFFAOYSA-N 0 0 347.371 3.343 10 5 EGBERN COC(=O)c1c(Cl)c(NCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000590570398 459151242 /nfs/dbraw/zinc/15/12/42/459151242.db2.gz WADJJSAOKGMDFP-UHFFFAOYSA-N 0 0 335.747 3.084 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC/C=C/c2ccccc2)c1C ZINC000479965149 459175159 /nfs/dbraw/zinc/17/51/59/459175159.db2.gz NNZMMXWBZOQWQZ-RMKNXTFCSA-N 0 0 346.408 3.203 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC/C=C\c2ccccc2)c1C ZINC000479965159 459175277 /nfs/dbraw/zinc/17/52/77/459175277.db2.gz NNZMMXWBZOQWQZ-TWGQIWQCSA-N 0 0 346.408 3.203 10 5 EGBERN O=C1NCCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000479968018 459175429 /nfs/dbraw/zinc/17/54/29/459175429.db2.gz ZQMYOHNAXQTTSC-OAHLLOKOSA-N 0 0 326.356 3.029 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1F ZINC000590698429 459188012 /nfs/dbraw/zinc/18/80/12/459188012.db2.gz YUEYFOKORYRCOA-LDYMZIIASA-N 0 0 334.269 3.434 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590707240 459190792 /nfs/dbraw/zinc/19/07/92/459190792.db2.gz BCMAEIRYZXAWHL-XNJGSVPQSA-N 0 0 341.411 3.440 10 5 EGBERN COc1cccc2c1CN(c1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000590723185 459195205 /nfs/dbraw/zinc/19/52/05/459195205.db2.gz QICKKXNUEABNMF-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN CC(F)(F)C(C)(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000590761720 459207829 /nfs/dbraw/zinc/20/78/29/459207829.db2.gz KLJNPCIXWHZMAQ-UHFFFAOYSA-N 0 0 339.342 3.416 10 5 EGBERN O=C(N[C@H](c1cccc(F)c1)C1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000558766819 459209168 /nfs/dbraw/zinc/20/91/68/459209168.db2.gz XJPSKLLDVBGMSF-AWEZNQCLSA-N 0 0 332.335 3.118 10 5 EGBERN CCOc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000522201564 459225821 /nfs/dbraw/zinc/22/58/21/459225821.db2.gz OHDPIOHEISNXLX-UHFFFAOYSA-N 0 0 344.367 3.111 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000590825604 459234351 /nfs/dbraw/zinc/23/43/51/459234351.db2.gz LULQMCYVIAEROW-OCCSQVGLSA-N 0 0 325.315 3.412 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595102247 459246063 /nfs/dbraw/zinc/24/60/63/459246063.db2.gz HZQPFTCTKCXNKU-LBPRGKRZSA-N 0 0 335.404 3.091 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C)c2ccccc2n1 ZINC000522546789 459248075 /nfs/dbraw/zinc/24/80/75/459248075.db2.gz DCGQSBZSRYQZNV-UHFFFAOYSA-N 0 0 336.351 3.085 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481483607 459256731 /nfs/dbraw/zinc/25/67/31/459256731.db2.gz ZQKOUTVQCMJHCO-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(OC(F)F)CC1 ZINC000590883818 459258407 /nfs/dbraw/zinc/25/84/07/459258407.db2.gz BZPSDSHTEYMNED-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN CC(C)(C(=O)NCCC[C@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000482415900 459307446 /nfs/dbraw/zinc/30/74/46/459307446.db2.gz QITAOKCTJNGRJA-PBHICJAKSA-N 0 0 348.443 3.320 10 5 EGBERN C[C@@H]1CCC[N@H+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582183857 459323637 /nfs/dbraw/zinc/32/36/37/459323637.db2.gz CHJXRHBUWGNQRI-CYBMUJFWSA-N 0 0 335.404 3.217 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(=O)[O-] ZINC000582241350 459332700 /nfs/dbraw/zinc/33/27/00/459332700.db2.gz NIJINNRMNBSYOP-WBMJQRKESA-N 0 0 344.367 3.397 10 5 EGBERN CN(C(=O)CN1CCC(c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595615440 459369177 /nfs/dbraw/zinc/36/91/77/459369177.db2.gz MUEJOBUZAJSZAN-UHFFFAOYSA-N 0 0 343.383 3.030 10 5 EGBERN COc1ccc(NC(=O)CN2CCC(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000595659536 459387639 /nfs/dbraw/zinc/38/76/39/459387639.db2.gz OAUIPDTTXRMRBE-UHFFFAOYSA-N 0 0 347.415 3.054 10 5 EGBERN CC(C)(C)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000540969921 459413195 /nfs/dbraw/zinc/41/31/95/459413195.db2.gz KROJDNQAINXZQQ-UHFFFAOYSA-N 0 0 339.395 3.486 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000484682504 459425374 /nfs/dbraw/zinc/42/53/74/459425374.db2.gz TZPIQYVITXYQGO-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN C[C@]12COC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761645 459429283 /nfs/dbraw/zinc/42/92/83/459429283.db2.gz YZCZZRCDDGJFTR-RISCZKNCSA-N 0 0 330.306 3.082 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595773449 459434850 /nfs/dbraw/zinc/43/48/50/459434850.db2.gz MJSKVRQJVMVIJO-PMPSAXMXSA-N 0 0 331.416 3.215 10 5 EGBERN CCOC(=O)Cc1ccc(N[C@@H]2CCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000591950315 459495720 /nfs/dbraw/zinc/49/57/20/459495720.db2.gz HMODAHCTWFKFMY-KGLIPLIRSA-N 0 0 336.388 3.070 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000591961893 459498272 /nfs/dbraw/zinc/49/82/72/459498272.db2.gz RTVJWDGTUDSNSG-SNVBAGLBSA-N 0 0 330.331 3.404 10 5 EGBERN CC1(CC(F)F)CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000591971925 459501471 /nfs/dbraw/zinc/50/14/71/459501471.db2.gz NESGGOUGZCMKKH-UHFFFAOYSA-N 0 0 336.136 3.234 10 5 EGBERN Cc1cc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000591988434 459506114 /nfs/dbraw/zinc/50/61/14/459506114.db2.gz XCSDHIXNXXFVBN-UHFFFAOYSA-N 0 0 335.404 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3c(F)cccc3Cl)C2)nc1 ZINC000592005335 459510025 /nfs/dbraw/zinc/51/00/25/459510025.db2.gz FQKICUJYHPWGPY-ZDUSSCGKSA-N 0 0 337.738 3.360 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(OCCOC(C)C)CC1 ZINC000583274066 459512916 /nfs/dbraw/zinc/51/29/16/459512916.db2.gz LLRRCTSFCNXEQW-UHFFFAOYSA-N 0 0 338.404 3.014 10 5 EGBERN COc1ccc(CNC(=O)C/C=C\c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000486660029 459514300 /nfs/dbraw/zinc/51/43/00/459514300.db2.gz UPNLYWXIMHLTJW-HYXAFXHYSA-N 0 0 344.342 3.462 10 5 EGBERN COc1cc(N2CCO[C@@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134794 459532250 /nfs/dbraw/zinc/53/22/50/459532250.db2.gz NJNVQISQYSIZDT-LLVKDONJSA-N 0 0 340.685 3.024 10 5 EGBERN COc1ccccc1C1(NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000592144733 459536700 /nfs/dbraw/zinc/53/67/00/459536700.db2.gz LHARHBRMMUORNZ-UHFFFAOYSA-N 0 0 328.368 3.391 10 5 EGBERN CCCCCN(CCO)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596148288 459536961 /nfs/dbraw/zinc/53/69/61/459536961.db2.gz CALOSQDHZGGZPA-UHFFFAOYSA-N 0 0 344.795 3.024 10 5 EGBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(C)C ZINC000596147425 459537767 /nfs/dbraw/zinc/53/77/67/459537767.db2.gz WWWJHOCZQBJCAL-SNVBAGLBSA-N 0 0 330.768 3.118 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596181503 459550551 /nfs/dbraw/zinc/55/05/51/459550551.db2.gz FQSVETKIKLCGEQ-IUCAKERBSA-N 0 0 328.752 3.014 10 5 EGBERN Cc1c(NC(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000592213508 459550956 /nfs/dbraw/zinc/55/09/56/459550956.db2.gz YOECJKIWDAZIIR-MRXNPFEDSA-N 0 0 347.415 3.378 10 5 EGBERN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000592245347 459559052 /nfs/dbraw/zinc/55/90/52/459559052.db2.gz GXQUHMSXECMFHY-STQMWFEESA-N 0 0 332.404 3.092 10 5 EGBERN COc1cc(NCCCC(=O)OC(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596218198 459563614 /nfs/dbraw/zinc/56/36/14/459563614.db2.gz GRXVWAFSEUHXOB-UHFFFAOYSA-N 0 0 330.768 3.401 10 5 EGBERN C[C@@H]1[C@@H](C)CN1c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596247680 459574194 /nfs/dbraw/zinc/57/41/94/459574194.db2.gz KQAWAQYXWUCGOT-NKWVEPMBSA-N 0 0 325.237 3.489 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)CO1 ZINC000596290581 459586527 /nfs/dbraw/zinc/58/65/27/459586527.db2.gz RUTZSXFCNVBPPW-ZJUUUORDSA-N 0 0 342.779 3.039 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC3CC(OCc4ccccc4)C3)[nH]c2c1 ZINC000583732856 459586921 /nfs/dbraw/zinc/58/69/21/459586921.db2.gz KIFKBOZYDQHBPW-UHFFFAOYSA-N 0 0 338.367 3.053 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1C(=O)CC(C2CCCC2)CC1=O ZINC000596305895 459589792 /nfs/dbraw/zinc/58/97/92/459589792.db2.gz CKAUBFMSRINGAP-UHFFFAOYSA-N 0 0 346.383 3.059 10 5 EGBERN CCOC(=O)Cc1cccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000542864646 459605185 /nfs/dbraw/zinc/60/51/85/459605185.db2.gz QMKNZNLHVLUQOF-UHFFFAOYSA-N 0 0 329.356 3.456 10 5 EGBERN COc1cc(CSCc2cn(C(C)(C)C)nn2)ccc1[N+](=O)[O-] ZINC000596384342 459616277 /nfs/dbraw/zinc/61/62/77/459616277.db2.gz OMPSGUKHJBOCIZ-UHFFFAOYSA-N 0 0 336.417 3.383 10 5 EGBERN CSc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000592580772 459634969 /nfs/dbraw/zinc/63/49/69/459634969.db2.gz WWRNWCGVHJPDDM-JTQLQIEISA-N 0 0 329.381 3.303 10 5 EGBERN COC[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000596437855 459635702 /nfs/dbraw/zinc/63/57/02/459635702.db2.gz YIRLBIGRKXXWMD-OAHLLOKOSA-N 0 0 331.372 3.415 10 5 EGBERN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cscn1 ZINC000596434848 459635760 /nfs/dbraw/zinc/63/57/60/459635760.db2.gz YKQBKAUWTZMOKK-VIFPVBQESA-N 0 0 332.385 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000596446934 459639671 /nfs/dbraw/zinc/63/96/71/459639671.db2.gz ICFSQOLKSFIMCU-JTQLQIEISA-N 0 0 326.221 3.450 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@](O)(C3CC3)C2)nc1-c1ccccc1 ZINC000596464299 459645969 /nfs/dbraw/zinc/64/59/69/459645969.db2.gz WAZSBJPAXQNFET-LJQANCHMSA-N 0 0 339.395 3.398 10 5 EGBERN C[C@H](C(=O)N1CCOC[C@@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000584075681 459647536 /nfs/dbraw/zinc/64/75/36/459647536.db2.gz RCOQSPCVXJJJCS-GUYCJALGSA-N 0 0 332.400 3.116 10 5 EGBERN C[C@@H]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000596474818 459649124 /nfs/dbraw/zinc/64/91/24/459649124.db2.gz OVBPZSLRRNOZGF-PSASIEDQSA-N 0 0 330.182 3.122 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596475788 459650113 /nfs/dbraw/zinc/65/01/13/459650113.db2.gz DHYPCNJPBKFYED-CQSZACIVSA-N 0 0 327.331 3.190 10 5 EGBERN Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596480301 459650998 /nfs/dbraw/zinc/65/09/98/459650998.db2.gz MNNYXHGPCLHNRX-YGRLFVJLSA-N 0 0 341.205 3.138 10 5 EGBERN CC(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573268351 459652011 /nfs/dbraw/zinc/65/20/11/459652011.db2.gz RNZPCRCBJSIGEC-UHFFFAOYSA-N 0 0 343.383 3.345 10 5 EGBERN COC(=O)C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000596491628 459655348 /nfs/dbraw/zinc/65/53/48/459655348.db2.gz GZGWULAOGUWRMM-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CC(F)F ZINC000592672589 459661248 /nfs/dbraw/zinc/66/12/48/459661248.db2.gz NFGVJAYVIZFBRR-VIFPVBQESA-N 0 0 327.331 3.190 10 5 EGBERN C[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592672952 459661338 /nfs/dbraw/zinc/66/13/38/459661338.db2.gz QTPBFERKAKUBCC-NXEZZACHSA-N 0 0 332.372 3.483 10 5 EGBERN COCC1(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000592672504 459661451 /nfs/dbraw/zinc/66/14/51/459661451.db2.gz YTBMOFQLOFKKOT-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000596528177 459666623 /nfs/dbraw/zinc/66/66/23/459666623.db2.gz MHBZNYVYTWIJMN-ZIAGYGMSSA-N 0 0 343.358 3.269 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC2CC2)CC2CC2)s1 ZINC000596539661 459669560 /nfs/dbraw/zinc/66/95/60/459669560.db2.gz BEUACTGWMOMECX-UHFFFAOYSA-N 0 0 344.458 3.076 10 5 EGBERN CC(C)(C)C(F)(F)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596539856 459669966 /nfs/dbraw/zinc/66/99/66/459669966.db2.gz BXDQPQOECIKAHH-UHFFFAOYSA-N 0 0 342.389 3.153 10 5 EGBERN CC(C)(C)C(F)(F)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596539707 459670134 /nfs/dbraw/zinc/67/01/34/459670134.db2.gz BIYPXJCMVQDTLF-UHFFFAOYSA-N 0 0 336.360 3.092 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596543455 459670946 /nfs/dbraw/zinc/67/09/46/459670946.db2.gz JSWFIIHCPNZFHR-HNNXBMFYSA-N 0 0 325.368 3.492 10 5 EGBERN Cc1cc(NC[C@@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596545207 459672208 /nfs/dbraw/zinc/67/22/08/459672208.db2.gz RGMAAOIRYGTBOH-AWEZNQCLSA-N 0 0 342.399 3.009 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCO[C@H](CC(F)(F)F)C3)ccc2c1 ZINC000596558273 459675822 /nfs/dbraw/zinc/67/58/22/459675822.db2.gz PPLXOHZRXCTQPZ-GFCCVEGCSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596558280 459676065 /nfs/dbraw/zinc/67/60/65/459676065.db2.gz PRDUKDILOMRWGW-NSHDSACASA-N 0 0 341.289 3.301 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596565845 459678174 /nfs/dbraw/zinc/67/81/74/459678174.db2.gz GUMZHCWWYBBIEJ-HDICACEKSA-N 0 0 330.384 3.194 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000592733357 459679015 /nfs/dbraw/zinc/67/90/15/459679015.db2.gz FHFKLEDVNKFQRZ-OPRDCNLKSA-N 0 0 339.189 3.276 10 5 EGBERN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572610 459682230 /nfs/dbraw/zinc/68/22/30/459682230.db2.gz NVXDXAHOGDOYAX-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000596636449 459708267 /nfs/dbraw/zinc/70/82/67/459708267.db2.gz LBARERSQYPUQAW-BONVTDFDSA-N 0 0 343.330 3.180 10 5 EGBERN COC1CC(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596659670 459718136 /nfs/dbraw/zinc/71/81/36/459718136.db2.gz PIVOBUPHFVMWRS-UHFFFAOYSA-N 0 0 347.415 3.084 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596678639 459724635 /nfs/dbraw/zinc/72/46/35/459724635.db2.gz FFKPIFQKUZWJIQ-HNNXBMFYSA-N 0 0 349.431 3.334 10 5 EGBERN C[C@](Cc1ccccc1)(NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000584454167 459741623 /nfs/dbraw/zinc/74/16/23/459741623.db2.gz UCXZKYRDBMOEGZ-GOSISDBHSA-N 0 0 325.368 3.131 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000593030316 459746373 /nfs/dbraw/zinc/74/63/73/459746373.db2.gz KQCMHZMBGRJJRO-RYUDHWBXSA-N 0 0 340.383 3.280 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000544610184 459772738 /nfs/dbraw/zinc/77/27/38/459772738.db2.gz ZAODAOUAOXFDRL-LJQANCHMSA-N 0 0 326.396 3.347 10 5 EGBERN C[C@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596843404 459776820 /nfs/dbraw/zinc/77/68/20/459776820.db2.gz UBAOXXQSBCWHMZ-XHDPSFHLSA-N 0 0 348.399 3.140 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2c1cccc2C(F)(F)F ZINC000544718545 459780088 /nfs/dbraw/zinc/78/00/88/459780088.db2.gz IRZQGGNJOJXOMD-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@@H](C(C)C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000596872168 459783938 /nfs/dbraw/zinc/78/39/38/459783938.db2.gz SWHYUYXSFIBVIS-HNNXBMFYSA-N 0 0 349.387 3.246 10 5 EGBERN COc1ccccc1C1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593179935 459798685 /nfs/dbraw/zinc/79/86/85/459798685.db2.gz QZENCPGLHHJZRJ-UHFFFAOYSA-N 0 0 344.342 3.091 10 5 EGBERN Cc1c(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cccc1[N+](=O)[O-] ZINC000593213696 459809496 /nfs/dbraw/zinc/80/94/96/459809496.db2.gz TVWBBMKOQMGDKW-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593219525 459810910 /nfs/dbraw/zinc/81/09/10/459810910.db2.gz SYHWAGMPDYYOEM-GOSISDBHSA-N 0 0 343.358 3.241 10 5 EGBERN Cc1cc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000593237776 459815969 /nfs/dbraw/zinc/81/59/69/459815969.db2.gz SVKPQMMGMNYZSH-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN CC[C@@H](OCCNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593249931 459820159 /nfs/dbraw/zinc/82/01/59/459820159.db2.gz JVYNSHRGINGGNN-GOSISDBHSA-N 0 0 342.395 3.421 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593279945 459827835 /nfs/dbraw/zinc/82/78/35/459827835.db2.gz NALTUXISPXINHJ-KRWDZBQOSA-N 0 0 332.400 3.147 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593291169 459831980 /nfs/dbraw/zinc/83/19/80/459831980.db2.gz CRNJOTPEHRANML-LLVKDONJSA-N 0 0 345.786 3.445 10 5 EGBERN C[C@@H]1[C@H](C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C ZINC000597090137 459835482 /nfs/dbraw/zinc/83/54/82/459835482.db2.gz HLFIHBAQINKOIN-HLTSFMKQSA-N 0 0 326.784 3.339 10 5 EGBERN C[C@H](N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1(C)CC1 ZINC000597097255 459836334 /nfs/dbraw/zinc/83/63/34/459836334.db2.gz FPRMIYCQMLPZEU-QMMMGPOBSA-N 0 0 326.784 3.483 10 5 EGBERN CCSCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092741 459836730 /nfs/dbraw/zinc/83/67/30/459836730.db2.gz RUZSWIFZVCIRNT-UHFFFAOYSA-N 0 0 332.813 3.095 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@H](C)OCC23CCC3)ccc1[N+](=O)[O-] ZINC000593318948 459839729 /nfs/dbraw/zinc/83/97/29/459839729.db2.gz HSDWMCSGPNEVOS-ZDUSSCGKSA-N 0 0 348.399 3.166 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(CC)c1 ZINC000593343823 459855002 /nfs/dbraw/zinc/85/50/02/459855002.db2.gz WIGBHGASHREVLC-UHFFFAOYSA-N 0 0 328.368 3.486 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598309005 459859326 /nfs/dbraw/zinc/85/93/26/459859326.db2.gz LZLTZJOEMNVOPL-GJZGRUSLSA-N 0 0 332.400 3.451 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3ccncn3)C2)c(F)c1 ZINC000586760851 459865971 /nfs/dbraw/zinc/86/59/71/459865971.db2.gz FVYYAOLRYCYLMJ-LLVKDONJSA-N 0 0 334.326 3.043 10 5 EGBERN COc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000598356265 459878501 /nfs/dbraw/zinc/87/85/01/459878501.db2.gz ZOWIKEAQBBYWRU-LBPRGKRZSA-N 0 0 348.399 3.086 10 5 EGBERN COC(=O)[C@](C)(CCF)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597213169 459879431 /nfs/dbraw/zinc/87/94/31/459879431.db2.gz GZHDUCRGNNSKOT-INIZCTEOSA-N 0 0 326.368 3.099 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC(=O)C(C)(C)C)c1 ZINC000593422258 459884181 /nfs/dbraw/zinc/88/41/81/459884181.db2.gz FZLICAFBGFBSHP-UHFFFAOYSA-N 0 0 325.386 3.230 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(C)C)C2CC2)cc1SC ZINC000598381908 459884190 /nfs/dbraw/zinc/88/41/90/459884190.db2.gz RVFQAEROFQLQFW-HNNXBMFYSA-N 0 0 338.429 3.490 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000586957377 459890426 /nfs/dbraw/zinc/89/04/26/459890426.db2.gz IHFCKHWKRSKIQP-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COc1cccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])c1OC ZINC000574936586 459896787 /nfs/dbraw/zinc/89/67/87/459896787.db2.gz ZKBYVMVNHJQVEC-UHFFFAOYSA-N 0 0 331.372 3.278 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000587978626 459896952 /nfs/dbraw/zinc/89/69/52/459896952.db2.gz BTVPAKHZCVEPBG-SFHVURJKSA-N 0 0 345.399 3.412 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([C@@H]2CCOC2)CC1 ZINC000593466162 459898360 /nfs/dbraw/zinc/89/83/60/459898360.db2.gz ABZRDOSNXLUQAO-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)c1nnc(CNc2ccnc3cc([N+](=O)[O-])ccc32)n1C ZINC000593469208 459899311 /nfs/dbraw/zinc/89/93/11/459899311.db2.gz JAJPOPVOKDOGTQ-UHFFFAOYSA-N 0 0 326.360 3.007 10 5 EGBERN CC[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1C ZINC000587992990 459899590 /nfs/dbraw/zinc/89/95/90/459899590.db2.gz IMSNTDZTPCKAGP-HNNXBMFYSA-N 0 0 345.399 3.247 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@](CO)(c2ccccc2)C1 ZINC000593472004 459900172 /nfs/dbraw/zinc/90/01/72/459900172.db2.gz DEEXGAKLEXIEPO-HXUWFJFHSA-N 0 0 349.390 3.283 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C2CCC2)CC1 ZINC000597280050 459903646 /nfs/dbraw/zinc/90/36/46/459903646.db2.gz WPIGIIAAUXONJV-UHFFFAOYSA-N 0 0 341.415 3.407 10 5 EGBERN CCOc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000598470873 459906417 /nfs/dbraw/zinc/90/64/17/459906417.db2.gz ZXIZQBFQJKQFNR-LLVKDONJSA-N 0 0 329.356 3.439 10 5 EGBERN Cc1ccc(-c2noc(C(=O)c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000546282662 459906783 /nfs/dbraw/zinc/90/67/83/459906783.db2.gz QPKPAUZLWXVAAD-UHFFFAOYSA-N 0 0 327.271 3.323 10 5 EGBERN COc1cc(C(=O)N2CCOCC23CCCCC3)cc([N+](=O)[O-])c1C ZINC000575010749 459908478 /nfs/dbraw/zinc/90/84/78/459908478.db2.gz VZSNMIMRYZIHJQ-UHFFFAOYSA-N 0 0 348.399 3.087 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593518487 459914451 /nfs/dbraw/zinc/91/44/51/459914451.db2.gz PJERPSGOSRPASU-LLVKDONJSA-N 0 0 332.379 3.425 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609166866 459917769 /nfs/dbraw/zinc/91/77/69/459917769.db2.gz JFLMQDLYVIBSAI-UONOGXRCSA-N 0 0 328.372 3.083 10 5 EGBERN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000593581292 459927014 /nfs/dbraw/zinc/92/70/14/459927014.db2.gz PVZFMCPSUCQTOO-NSHDSACASA-N 0 0 345.786 3.332 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC1=CCSC1 ZINC000598516254 459929569 /nfs/dbraw/zinc/92/95/69/459929569.db2.gz QPJNSHCVQCDODA-UHFFFAOYSA-N 0 0 326.805 3.302 10 5 EGBERN COCC1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCCC1 ZINC000598551621 459935649 /nfs/dbraw/zinc/93/56/49/459935649.db2.gz RQXXFQMPBBSSQY-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598575381 459945749 /nfs/dbraw/zinc/94/57/49/459945749.db2.gz IOZZEOOMKDRHOQ-ZDUSSCGKSA-N 0 0 340.379 3.340 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000618286847 459957091 /nfs/dbraw/zinc/95/70/91/459957091.db2.gz QUJHJGCJOPBJJC-ZDUSSCGKSA-N 0 0 348.790 3.349 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4ccccn4)CC3)nc2c1 ZINC000618288436 459958407 /nfs/dbraw/zinc/95/84/07/459958407.db2.gz PMGSOIBBTVXTDW-UHFFFAOYSA-N 0 0 337.383 3.246 10 5 EGBERN Nc1cc(NC[C@H]2CC[C@H](c3ccccc3)O2)cc(CO)c1[N+](=O)[O-] ZINC000588860584 459994910 /nfs/dbraw/zinc/99/49/10/459994910.db2.gz IWGISNZJUUUXSK-NVXWUHKLSA-N 0 0 343.383 3.002 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(C2CC2)CC1 ZINC000597570667 459997655 /nfs/dbraw/zinc/99/76/55/459997655.db2.gz LXQMOZIPLCSRLT-UHFFFAOYSA-N 0 0 342.399 3.304 10 5 EGBERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609676073 460007496 /nfs/dbraw/zinc/00/74/96/460007496.db2.gz NSXIDMUQRWFZAQ-KBPBESRZSA-N 0 0 340.445 3.231 10 5 EGBERN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000588937551 460008626 /nfs/dbraw/zinc/00/86/26/460008626.db2.gz APPUXNSILXIHOG-NSHDSACASA-N 0 0 327.340 3.132 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000597616879 460009185 /nfs/dbraw/zinc/00/91/85/460009185.db2.gz KZJLBSDDSKOJCV-BBRMVZONSA-N 0 0 343.408 3.002 10 5 EGBERN CCc1cccnc1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602591555 460014047 /nfs/dbraw/zinc/01/40/47/460014047.db2.gz GSSMPJUEHBVPHU-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(C)c1C(F)F ZINC000618468951 460019598 /nfs/dbraw/zinc/01/95/98/460019598.db2.gz AABQXOUSCSZYQN-UHFFFAOYSA-N 0 0 344.705 3.480 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598776373 460029564 /nfs/dbraw/zinc/02/95/64/460029564.db2.gz GBHXBZZFHATBFB-SSDOTTSWSA-N 0 0 338.232 3.389 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598779690 460031048 /nfs/dbraw/zinc/03/10/48/460031048.db2.gz CPFNXYSHVQUUSU-ZETCQYMHSA-N 0 0 349.131 3.132 10 5 EGBERN COC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCC(F)(F)CC1 ZINC000598802108 460040486 /nfs/dbraw/zinc/04/04/86/460040486.db2.gz BYHGOGLBZWFSRR-UHFFFAOYSA-N 0 0 328.315 3.436 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000610006675 460050196 /nfs/dbraw/zinc/05/01/96/460050196.db2.gz XNSJDGXNGJLVEB-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN CCN(C1CCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000610006147 460050952 /nfs/dbraw/zinc/05/09/52/460050952.db2.gz ZGWUHZSYWDEGBR-UHFFFAOYSA-N 0 0 332.809 3.120 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610051455 460056769 /nfs/dbraw/zinc/05/67/69/460056769.db2.gz JUTGYAOTSQXQKO-LBPRGKRZSA-N 0 0 334.372 3.161 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1OCc2ccccc21 ZINC000594022003 460060129 /nfs/dbraw/zinc/06/01/29/460060129.db2.gz DDFMXZMIVXSMTG-SFHVURJKSA-N 0 0 340.379 3.257 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1OCc2ccccc21 ZINC000594023899 460060316 /nfs/dbraw/zinc/06/03/16/460060316.db2.gz NPPKAHUJTNTHGX-GOSISDBHSA-N 0 0 340.379 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccc(C)c1C1CC1 ZINC000598872083 460077834 /nfs/dbraw/zinc/07/78/34/460077834.db2.gz HLUSFKJYBZLGDY-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN CCCc1nccnc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000598875001 460079449 /nfs/dbraw/zinc/07/94/49/460079449.db2.gz CYMKWYBWEUSWJQ-UHFFFAOYSA-N 0 0 332.385 3.312 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000589372731 460081332 /nfs/dbraw/zinc/08/13/32/460081332.db2.gz APEVYTYHODXHFE-OAHLLOKOSA-N 0 0 345.355 3.356 10 5 EGBERN CSc1c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000598881449 460081394 /nfs/dbraw/zinc/08/13/94/460081394.db2.gz SMGUOCXKHHDSEI-UHFFFAOYSA-N 0 0 346.412 3.033 10 5 EGBERN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCCO[C@H]21 ZINC000610205532 460082432 /nfs/dbraw/zinc/08/24/32/460082432.db2.gz JEUHQRCGRGPYGG-HFBAOOFYSA-N 0 0 343.383 3.010 10 5 EGBERN CC[C@@H](c1ccccc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000598884783 460084094 /nfs/dbraw/zinc/08/40/94/460084094.db2.gz FIZOMXLWCFDXKJ-AWEZNQCLSA-N 0 0 330.388 3.330 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cncc2c1CCCC2 ZINC000597871449 460089239 /nfs/dbraw/zinc/08/92/39/460089239.db2.gz YAMPRQDIYPKWHX-UHFFFAOYSA-N 0 0 325.368 3.440 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCCC(C)C)n1 ZINC000594081630 460092962 /nfs/dbraw/zinc/09/29/62/460092962.db2.gz SNSHIVFYZMIBEM-UHFFFAOYSA-N 0 0 346.387 3.488 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(C)cc2)c1 ZINC000589494755 460095400 /nfs/dbraw/zinc/09/54/00/460095400.db2.gz WPUALTXRHJRBAS-UHFFFAOYSA-N 0 0 328.368 3.322 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000589502785 460096494 /nfs/dbraw/zinc/09/64/94/460096494.db2.gz AQBSEEWYCNYFJV-INIZCTEOSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594093769 460098020 /nfs/dbraw/zinc/09/80/20/460098020.db2.gz GAHGTTPQRWRAEY-JKSUJKDBSA-N 0 0 333.388 3.372 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594095620 460099168 /nfs/dbraw/zinc/09/91/68/460099168.db2.gz ZODDCAIJWLNZST-ZBFHGGJFSA-N 0 0 349.387 3.073 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000610266991 460101464 /nfs/dbraw/zinc/10/14/64/460101464.db2.gz YGGGODBXPTXRBL-HNNXBMFYSA-N 0 0 346.408 3.415 10 5 EGBERN CC(C)(C)OC(=O)Cc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000610282937 460107228 /nfs/dbraw/zinc/10/72/28/460107228.db2.gz PKKMCIIAIWHZBO-UHFFFAOYSA-N 0 0 329.356 3.040 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597917915 460110928 /nfs/dbraw/zinc/11/09/28/460110928.db2.gz CRQPEKCPMQADSI-HNNXBMFYSA-N 0 0 334.416 3.194 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610309602 460116021 /nfs/dbraw/zinc/11/60/21/460116021.db2.gz GVGBNHDTTCDZOR-MRXNPFEDSA-N 0 0 347.390 3.412 10 5 EGBERN CSc1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594135874 460120547 /nfs/dbraw/zinc/12/05/47/460120547.db2.gz RIHVBYVZLAAERT-HAQNSBGRSA-N 0 0 338.429 3.393 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000594136489 460120830 /nfs/dbraw/zinc/12/08/30/460120830.db2.gz IWPFOQINNUVROY-LBPRGKRZSA-N 0 0 340.445 3.254 10 5 EGBERN Cc1cc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCOCC2)on1 ZINC000599019827 460128577 /nfs/dbraw/zinc/12/85/77/460128577.db2.gz HZWXGXBOVWGAHA-XQRVVYSFSA-N 0 0 343.383 3.200 10 5 EGBERN Cc1cc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccc1Cl ZINC000589693931 460128651 /nfs/dbraw/zinc/12/86/51/460128651.db2.gz ACNCYLMDAXLMBZ-UHFFFAOYSA-N 0 0 335.791 3.286 10 5 EGBERN Cc1ccncc1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000597978053 460134497 /nfs/dbraw/zinc/13/44/97/460134497.db2.gz MMYCOVCWXUPMHC-UHFFFAOYSA-N 0 0 327.384 3.196 10 5 EGBERN CCOC(=O)c1ncc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000602803646 460135117 /nfs/dbraw/zinc/13/51/17/460135117.db2.gz DVATXEIELSOWNE-CQSZACIVSA-N 0 0 349.412 3.469 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594165440 460135300 /nfs/dbraw/zinc/13/53/00/460135300.db2.gz PRPKJXJMRMSLAU-WCQYABFASA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594173066 460136777 /nfs/dbraw/zinc/13/67/77/460136777.db2.gz BAMRMQHOBBQPQK-JKSUJKDBSA-N 0 0 334.416 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccnc1-c1ccccc1 ZINC000589829182 460142036 /nfs/dbraw/zinc/14/20/36/460142036.db2.gz QTWTUSXYWLVERZ-UHFFFAOYSA-N 0 0 334.335 3.034 10 5 EGBERN COc1cc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc([N+](=O)[O-])c1C ZINC000594206984 460152028 /nfs/dbraw/zinc/15/20/28/460152028.db2.gz VIXRYIVFYWCEIA-CQSZACIVSA-N 0 0 348.399 3.133 10 5 EGBERN C[N@H+]1Cc2ccccc2[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000589864892 460154112 /nfs/dbraw/zinc/15/41/12/460154112.db2.gz CZAJJGYCEIBHPX-QGZVFWFLSA-N 0 0 334.379 3.164 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC(F)(c3ccccc3F)C2)s1 ZINC000589872334 460154898 /nfs/dbraw/zinc/15/48/98/460154898.db2.gz CKUXNNQIXCRWNU-UHFFFAOYSA-N 0 0 348.334 3.424 10 5 EGBERN Cc1c(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594241630 460167893 /nfs/dbraw/zinc/16/78/93/460167893.db2.gz FKDPBQKRJPLUAR-DLBZAZTESA-N 0 0 347.415 3.050 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](CO)CCC(C)C)ccc1[N+](=O)[O-] ZINC000599137480 460171703 /nfs/dbraw/zinc/17/17/03/460171703.db2.gz OTOKIKSQIHXVOQ-JTQLQIEISA-N 0 0 344.795 3.244 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599138802 460173046 /nfs/dbraw/zinc/17/30/46/460173046.db2.gz LMVLBFVCTSNTSZ-UHFFFAOYSA-N 0 0 348.321 3.103 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610525926 460175326 /nfs/dbraw/zinc/17/53/26/460175326.db2.gz JDLBVEPGHUBCJW-CYBMUJFWSA-N 0 0 330.388 3.497 10 5 EGBERN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610525834 460175726 /nfs/dbraw/zinc/17/57/26/460175726.db2.gz AJLPIZWKSSKUNJ-GFCCVEGCSA-N 0 0 331.397 3.002 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000614591636 460178379 /nfs/dbraw/zinc/17/83/79/460178379.db2.gz NSFMKVGYTZJCNK-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN Cc1c(Br)c(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ncc1[N+](=O)[O-] ZINC000599163340 460182142 /nfs/dbraw/zinc/18/21/42/460182142.db2.gz GLHBCMNJESQAIC-GTBBIVDNSA-N 0 0 344.209 3.285 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598136705 460185683 /nfs/dbraw/zinc/18/56/83/460185683.db2.gz FCIBJSCUTUPQPX-CQSZACIVSA-N 0 0 348.380 3.243 10 5 EGBERN Cc1c(Cc2nc(-c3coc(C4CC4)n3)no2)cccc1[N+](=O)[O-] ZINC000599188479 460193803 /nfs/dbraw/zinc/19/38/03/460193803.db2.gz ZHYRVNAVCZHPFP-UHFFFAOYSA-N 0 0 326.312 3.409 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000599188326 460194048 /nfs/dbraw/zinc/19/40/48/460194048.db2.gz CLCBASQDGQTFOZ-UHFFFAOYSA-N 0 0 329.356 3.097 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000599191874 460194547 /nfs/dbraw/zinc/19/45/47/460194547.db2.gz LNOAADKAXFBHMQ-CQSZACIVSA-N 0 0 326.352 3.497 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](c3ccc(O)cc3)C2)s1 ZINC000599192399 460195217 /nfs/dbraw/zinc/19/52/17/460195217.db2.gz QWPUVNHQAYPDBQ-LLVKDONJSA-N 0 0 342.380 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610602363 460196598 /nfs/dbraw/zinc/19/65/98/460196598.db2.gz FCSDFRTUDQGMCM-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594395028 460204196 /nfs/dbraw/zinc/20/41/96/460204196.db2.gz FFTCLRBTUFQZDN-DLBZAZTESA-N 0 0 343.383 3.154 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000598215539 460207203 /nfs/dbraw/zinc/20/72/03/460207203.db2.gz MMLHSDOLGQORAC-NSHDSACASA-N 0 0 338.232 3.389 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000594411447 460210688 /nfs/dbraw/zinc/21/06/88/460210688.db2.gz RLASMMZWUGNVQU-VIFPVBQESA-N 0 0 344.362 3.214 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000598234949 460216514 /nfs/dbraw/zinc/21/65/14/460216514.db2.gz YIGQRLJXWKTQTM-UHFFFAOYSA-N 0 0 326.356 3.088 10 5 EGBERN COc1cc(NC[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000610715457 460224032 /nfs/dbraw/zinc/22/40/32/460224032.db2.gz SCMSEMNQMXSNDV-QGZVFWFLSA-N 0 0 332.331 3.468 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000610760463 460232912 /nfs/dbraw/zinc/23/29/12/460232912.db2.gz LTQFUXSKIOKTDU-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN COC(=O)c1cc(N2CCC[C@]3(CCCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769916 460234182 /nfs/dbraw/zinc/23/41/82/460234182.db2.gz DVYURRSQBQJFOH-SFHVURJKSA-N 0 0 348.399 3.087 10 5 EGBERN COC(=O)c1ccc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448909 460256272 /nfs/dbraw/zinc/25/62/72/460256272.db2.gz CZZTUFCKNKVNSA-ZDUSSCGKSA-N 0 0 343.383 3.278 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1 ZINC000610920394 460260668 /nfs/dbraw/zinc/26/06/68/460260668.db2.gz GCGBKCVOHBEQET-UHFFFAOYSA-N 0 0 343.383 3.008 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599510761 460265014 /nfs/dbraw/zinc/26/50/14/460265014.db2.gz ZHJCGFQJCWFNDX-UHFFFAOYSA-N 0 0 344.820 3.203 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599600084 460285536 /nfs/dbraw/zinc/28/55/36/460285536.db2.gz WXWPPGWCUCLTQO-OAHLLOKOSA-N 0 0 342.395 3.167 10 5 EGBERN Cc1c(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cnn1C ZINC000619183069 460293049 /nfs/dbraw/zinc/29/30/49/460293049.db2.gz NXFHPEBFUZNZNI-UHFFFAOYSA-N 0 0 332.404 3.056 10 5 EGBERN COC(=O)[C@@](C)(NCc1cc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000599643226 460295619 /nfs/dbraw/zinc/29/56/19/460295619.db2.gz LISKEYRDHFEVPO-KRWDZBQOSA-N 0 0 348.424 3.451 10 5 EGBERN Cn1ncc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(F)F ZINC000611158496 460298651 /nfs/dbraw/zinc/29/86/51/460298651.db2.gz AZKWAZJXUWMVLO-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(c3cccnc3)CC2)nc2sccn21 ZINC000611256769 460319486 /nfs/dbraw/zinc/31/94/86/460319486.db2.gz XZJWQMIFYVUASB-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)CO2 ZINC000599780679 460332511 /nfs/dbraw/zinc/33/25/11/460332511.db2.gz RVHUKMKCTJKLSM-ZDUSSCGKSA-N 0 0 341.367 3.337 10 5 EGBERN CC(C)(C)OCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834914 460344695 /nfs/dbraw/zinc/34/46/95/460344695.db2.gz OYVVKMJICJVMSK-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000599834070 460344789 /nfs/dbraw/zinc/34/47/89/460344789.db2.gz FIRXARCIZTUCIS-SCDSUCTJSA-N 0 0 326.356 3.453 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)O1 ZINC000599841386 460346975 /nfs/dbraw/zinc/34/69/75/460346975.db2.gz YTEJBOJZZNDDHN-WOPDTQHZSA-N 0 0 344.371 3.078 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611372712 460347009 /nfs/dbraw/zinc/34/70/09/460347009.db2.gz BSDSPXVXQOOGHW-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN CCOC(=O)c1cnc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)nc1C ZINC000611493386 460376717 /nfs/dbraw/zinc/37/67/17/460376717.db2.gz ACFMQTSGQZRPLN-HNNXBMFYSA-N 0 0 344.371 3.433 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000611505568 460380239 /nfs/dbraw/zinc/38/02/39/460380239.db2.gz DAVWAMAFIRJPJU-COPLHBTASA-N 0 0 326.393 3.282 10 5 EGBERN COC(=O)c1ccc(OC)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611510545 460382314 /nfs/dbraw/zinc/38/23/14/460382314.db2.gz GEDJQYLMABYZPK-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611512511 460382394 /nfs/dbraw/zinc/38/23/94/460382394.db2.gz GRSVHAHPZMTWPG-CJNGLKHVSA-N 0 0 337.395 3.307 10 5 EGBERN CC[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(OC)cc1 ZINC000611525347 460387262 /nfs/dbraw/zinc/38/72/62/460387262.db2.gz YYECWGCZQUPMBI-INIZCTEOSA-N 0 0 331.372 3.241 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000611560636 460399755 /nfs/dbraw/zinc/39/97/55/460399755.db2.gz HXASOJGKRYJIMX-ZDUSSCGKSA-N 0 0 330.392 3.129 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000619638923 460400798 /nfs/dbraw/zinc/40/07/98/460400798.db2.gz NDYDXIBBAAJPMP-JQWIXIFHSA-N 0 0 325.340 3.205 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000600148399 460405898 /nfs/dbraw/zinc/40/58/98/460405898.db2.gz UPPVASULVUYRNK-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCc2ccccc2CC1 ZINC000600167659 460417755 /nfs/dbraw/zinc/41/77/55/460417755.db2.gz RCNJPUATXFDMCL-UHFFFAOYSA-N 0 0 339.395 3.223 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600172309 460418982 /nfs/dbraw/zinc/41/89/82/460418982.db2.gz YTNIDBWKFWRVEJ-JTQLQIEISA-N 0 0 346.305 3.160 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1(C)C ZINC000619737639 460426282 /nfs/dbraw/zinc/42/62/82/460426282.db2.gz DNLUNGGXSRYTKM-GFCCVEGCSA-N 0 0 329.404 3.263 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000600212679 460443508 /nfs/dbraw/zinc/44/35/08/460443508.db2.gz ZPOJMNGTUJKCSL-ZFWWWQNUSA-N 0 0 340.379 3.127 10 5 EGBERN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000604539066 460443745 /nfs/dbraw/zinc/44/37/45/460443745.db2.gz DVYIXZDPRPNDIJ-LEJCZOIISA-N 0 0 341.415 3.277 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000600267978 460460914 /nfs/dbraw/zinc/46/09/14/460460914.db2.gz KZVYDZRBWDVXEJ-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN Cc1sc(C(=O)N[C@@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600368802 460485145 /nfs/dbraw/zinc/48/51/45/460485145.db2.gz YGMHAKPXVJGFFO-HNNXBMFYSA-N 0 0 326.418 3.026 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(Cc2ccco2)C1 ZINC000600370293 460485164 /nfs/dbraw/zinc/48/51/64/460485164.db2.gz MLSLJRPCEAWTPQ-UHFFFAOYSA-N 0 0 334.759 3.464 10 5 EGBERN C[C@@H](NCc1cn(C)nn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611973691 460498784 /nfs/dbraw/zinc/49/87/84/460498784.db2.gz YTDASXFIZXHCIT-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000600477395 460501998 /nfs/dbraw/zinc/50/19/98/460501998.db2.gz UXORFINAYAPKIO-OAHLLOKOSA-N 0 0 345.374 3.481 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)C2(C)CCCC2)c1 ZINC000600486026 460504554 /nfs/dbraw/zinc/50/45/54/460504554.db2.gz CLKIQAQNSBTIJU-UHFFFAOYSA-N 0 0 336.413 3.196 10 5 EGBERN O=C(N[C@H]1CCCc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000600508168 460507271 /nfs/dbraw/zinc/50/72/71/460507271.db2.gz JDFYENLXIRDYNM-AWEZNQCLSA-N 0 0 331.759 3.451 10 5 EGBERN C[C@@](CO)(NCc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150548 460733685 /nfs/dbraw/zinc/73/36/85/460733685.db2.gz ZEYLSTHKJKCRKB-INIZCTEOSA-N 0 0 338.766 3.385 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC=C(c2ccco2)C1 ZINC000601164904 460737513 /nfs/dbraw/zinc/73/75/13/460737513.db2.gz IAGTWOWFTXMFAG-UHFFFAOYSA-N 0 0 342.277 3.234 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC2(CCCC2)O1 ZINC000601188809 460744854 /nfs/dbraw/zinc/74/48/54/460744854.db2.gz BDGLEVLYVHKBQG-SECBINFHSA-N 0 0 348.325 3.251 10 5 EGBERN CC1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCO1 ZINC000601191424 460746204 /nfs/dbraw/zinc/74/62/04/460746204.db2.gz IIPPQSKQQRGZME-UHFFFAOYSA-N 0 0 332.400 3.044 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]1c1ccc(F)cc1 ZINC000601194875 460747608 /nfs/dbraw/zinc/74/76/08/460747608.db2.gz VAHYJRZPMWBXLD-JTQLQIEISA-N 0 0 344.268 3.438 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C(F)F)CC2)cc1OC(F)F ZINC000601230417 460759140 /nfs/dbraw/zinc/75/91/40/460759140.db2.gz BGYSETAALHDUBJ-JTQLQIEISA-N 0 0 338.257 3.057 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601249757 460764447 /nfs/dbraw/zinc/76/44/47/460764447.db2.gz GZNJBRPHGAXNQJ-ZJUUUORDSA-N 0 0 348.325 3.107 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CCC3)[C@H]3CCCO3)c21 ZINC000601250908 460765370 /nfs/dbraw/zinc/76/53/70/460765370.db2.gz SHWQAPYYMNTQRF-GDBMZVCRSA-N 0 0 328.372 3.298 10 5 EGBERN CCc1cnc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601256957 460767269 /nfs/dbraw/zinc/76/72/69/460767269.db2.gz ZGQBBXZRRQJWJV-UHFFFAOYSA-N 0 0 345.424 3.352 10 5 EGBERN CC[C@H](NC(=O)c1ncc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601279764 460774726 /nfs/dbraw/zinc/77/47/26/460774726.db2.gz ALNOYZXTFXDYOA-HNNXBMFYSA-N 0 0 328.372 3.009 10 5 EGBERN COc1cncc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000601281259 460774962 /nfs/dbraw/zinc/77/49/62/460774962.db2.gz MGCDAYIRTMXIOE-GFCCVEGCSA-N 0 0 329.356 3.106 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000601320176 460787666 /nfs/dbraw/zinc/78/76/66/460787666.db2.gz XBXZERDCUJXRFG-LBPRGKRZSA-N 0 0 336.344 3.009 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccsc2)c([N+](=O)[O-])s1 ZINC000601410988 460807304 /nfs/dbraw/zinc/80/73/04/460807304.db2.gz WPZKDWWXOWVCSY-QMMMGPOBSA-N 0 0 332.428 3.066 10 5 EGBERN C[C@@H]1C[C@@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601431929 460809699 /nfs/dbraw/zinc/80/96/99/460809699.db2.gz TXBHPQAZKXVKMF-CABCVRRESA-N 0 0 346.427 3.338 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)O1 ZINC000601471618 460818532 /nfs/dbraw/zinc/81/85/32/460818532.db2.gz DRFHKFNCGONFDX-HNNXBMFYSA-N 0 0 332.400 3.090 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000601611999 460846672 /nfs/dbraw/zinc/84/66/72/460846672.db2.gz KBUHEHBTIACZFR-PBHICJAKSA-N 0 0 339.395 3.500 10 5 EGBERN COc1c(C(=O)N2CC(C)(C)[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000601699642 460875733 /nfs/dbraw/zinc/87/57/33/460875733.db2.gz PPXZLQRUEVNWCJ-OAHLLOKOSA-N 0 0 330.340 3.420 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000601704528 460877903 /nfs/dbraw/zinc/87/79/03/460877903.db2.gz KUBSSEXUYDPDDC-GFCCVEGCSA-N 0 0 326.299 3.259 10 5 EGBERN C[C@@](CO)(NC(=O)C1CC2(C1)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601776832 460895049 /nfs/dbraw/zinc/89/50/49/460895049.db2.gz JGRCWMDFDHIEPU-SFHVURJKSA-N 0 0 346.427 3.279 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(Cc2ccccc2)C(C)C)n1 ZINC000601838290 460919010 /nfs/dbraw/zinc/91/90/10/460919010.db2.gz SAIFVCAMLYBFHC-GOSISDBHSA-N 0 0 344.415 3.198 10 5 EGBERN COCC[C@@H]1CCCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613433892 460947394 /nfs/dbraw/zinc/94/73/94/460947394.db2.gz TUHOQNBXRABOLT-ZDUSSCGKSA-N 0 0 330.388 3.181 10 5 EGBERN C[C@H](C(=O)N1CCC(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617753191 460966473 /nfs/dbraw/zinc/96/64/73/460966473.db2.gz DAIVQPGAGJXPTJ-AWEZNQCLSA-N 0 0 339.395 3.500 10 5 EGBERN COC(=O)c1cc(NC(=O)Cc2ccsc2C)c(C)c([N+](=O)[O-])c1 ZINC000362643593 518023697 /nfs/dbraw/zinc/02/36/97/518023697.db2.gz NNHBDNWPSVNSFJ-UHFFFAOYSA-N 0 0 348.380 3.241 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152070722 534423597 /nfs/dbraw/zinc/42/35/97/534423597.db2.gz VDCQCGRKYBKWHJ-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN O=C(CSC1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000131099300 534658128 /nfs/dbraw/zinc/65/81/28/534658128.db2.gz MWNIKYTUSVNKER-UHFFFAOYSA-N 0 0 330.793 3.099 10 5 EGBERN CC(C)CCOc1ccc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000130193205 527780474 /nfs/dbraw/zinc/78/04/74/527780474.db2.gz VFYYTFDXQUCLPG-GFCCVEGCSA-N 0 0 346.387 3.234 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])no1 ZINC000153659747 528320056 /nfs/dbraw/zinc/32/00/56/528320056.db2.gz FDUOQPQHGRYKAK-SNVBAGLBSA-N 0 0 337.767 3.491 10 5 EGBERN CC1(C)CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000163630147 528907243 /nfs/dbraw/zinc/90/72/43/528907243.db2.gz ONNXRKWGOIUALL-UHFFFAOYSA-N 0 0 340.445 3.026 10 5 EGBERN CC[C@@H](NC(=O)NCCSC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000347952971 535793661 /nfs/dbraw/zinc/79/36/61/535793661.db2.gz QTXPPTOSQOKWNZ-CQSZACIVSA-N 0 0 325.434 3.487 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC12CCOCC2 ZINC000683432988 550228883 /nfs/dbraw/zinc/22/88/83/550228883.db2.gz DNSLXNJBFLVXLX-UHFFFAOYSA-N 0 0 348.402 3.076 10 5 EGBERN C[C@H](OC(=O)[C@@H]1CCCN1c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000728167781 574724806 /nfs/dbraw/zinc/72/48/06/574724806.db2.gz UFINSNKUGLLFID-FZMZJTMJSA-N 0 0 347.396 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728997591 574794894 /nfs/dbraw/zinc/79/48/94/574794894.db2.gz SKXYGBLRHNNFDB-UHFFFAOYSA-N 0 0 334.259 3.308 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)ccc1F ZINC000730300968 574967957 /nfs/dbraw/zinc/96/79/57/574967957.db2.gz ZEAINQAPITXQNF-VIFPVBQESA-N 0 0 335.262 3.301 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000730350674 574974952 /nfs/dbraw/zinc/97/49/52/574974952.db2.gz YVDJQPYXMVVIDN-JKSUJKDBSA-N 0 0 327.336 3.450 10 5 EGBERN C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000761164536 574987804 /nfs/dbraw/zinc/98/78/04/574987804.db2.gz FBLXAQKJALRKRH-SSDOTTSWSA-N 0 0 342.562 3.276 10 5 EGBERN COc1cccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1OC ZINC000731457803 575074283 /nfs/dbraw/zinc/07/42/83/575074283.db2.gz DZJRHNBDJFWMAV-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000732581469 575278203 /nfs/dbraw/zinc/27/82/03/575278203.db2.gz CMZJEZBOPIEMGZ-CYBMUJFWSA-N 0 0 327.336 3.200 10 5 EGBERN COc1ccc(CC(=O)OCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000733064522 575304401 /nfs/dbraw/zinc/30/44/01/575304401.db2.gz ZVXJYLPGHMMCKI-UHFFFAOYSA-N 0 0 327.402 3.221 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000734405980 575481186 /nfs/dbraw/zinc/48/11/86/575481186.db2.gz SFDGYAHNONEYPR-OLZOCXBDSA-N 0 0 338.379 3.445 10 5 EGBERN COc1ccc(C(=O)OCc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000734562185 575513953 /nfs/dbraw/zinc/51/39/53/575513953.db2.gz PBRCEHRTEOIWDG-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN CC(C)(C(=O)NC(C1CCCC1)C1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000735448322 575663176 /nfs/dbraw/zinc/66/31/76/575663176.db2.gz VDXAFJGJKGEXHD-UHFFFAOYSA-N 0 0 348.447 3.392 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC2(O)CCCCCC2)c([N+](=O)[O-])c1 ZINC000735489480 575668916 /nfs/dbraw/zinc/66/89/16/575668916.db2.gz CJDUFMDHPDWBMF-CLFYSBASSA-N 0 0 348.399 3.278 10 5 EGBERN CC[C@@H](C)C(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000756394638 576089773 /nfs/dbraw/zinc/08/97/73/576089773.db2.gz XFYVMKYLVURXJE-ZJUUUORDSA-N 0 0 343.763 3.174 10 5 EGBERN Cc1cn(CN2CCCCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738225525 576302013 /nfs/dbraw/zinc/30/20/13/576302013.db2.gz FXNHCPZLWSYRQG-CQSZACIVSA-N 0 0 344.415 3.078 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc2c([nH]c1=O)CCCCC2 ZINC000738759569 576359773 /nfs/dbraw/zinc/35/97/73/576359773.db2.gz UEQIDXDUFYTUJI-UHFFFAOYSA-N 0 0 348.380 3.383 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(F)cc1F ZINC000741911346 576733396 /nfs/dbraw/zinc/73/33/96/576733396.db2.gz ISVPLDSQRVZKEZ-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000745332511 576845927 /nfs/dbraw/zinc/84/59/27/576845927.db2.gz KHNZZYGHSFZPHO-UHFFFAOYSA-N 0 0 344.367 3.002 10 5 EGBERN O=C(OC[C@H]1C[C@]12CCOC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000884589919 1302920687 /nfs/dbraw/zinc/92/06/87/1302920687.db2.gz LUFZRCCTGBFVBM-ACJLOTCBSA-N 0 0 327.336 3.331 10 5 EGBERN O=C(OCc1cccc(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC000010922559 1291120265 /nfs/dbraw/zinc/12/02/65/1291120265.db2.gz QLNDHZNFUYFOSP-UHFFFAOYSA-N 0 0 326.102 3.307 10 5 EGBERN COCCN(Cc1ccccc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033462653 1291385957 /nfs/dbraw/zinc/38/59/57/1291385957.db2.gz SCNRQOAKDQROPN-KHPPLWFESA-N 0 0 340.379 3.283 10 5 EGBERN C[C@@H](O)c1nc2ccccc2n1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033401898 1291386381 /nfs/dbraw/zinc/38/63/81/1291386381.db2.gz QTVHMPRDKGLTFE-NXIHDVOMSA-N 0 0 337.335 3.351 10 5 EGBERN Cc1nn(C)c(C(=O)NC(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000117691811 1293224584 /nfs/dbraw/zinc/22/45/84/1293224584.db2.gz LIAUZUMOYSJQIS-UHFFFAOYSA-N 0 0 334.420 3.116 10 5 EGBERN Cc1c(C(=O)NCCc2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000121566837 1293378044 /nfs/dbraw/zinc/37/80/44/1293378044.db2.gz GIVOWKOCAIZLGN-UHFFFAOYSA-N 0 0 343.339 3.092 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000134159515 1293764500 /nfs/dbraw/zinc/76/45/00/1293764500.db2.gz XXODIKCPJQYLCN-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN C[C@@H](Oc1cccc([N+](=O)[O-])c1Br)C(=O)OC(C)(C)C ZINC000135104459 1293787858 /nfs/dbraw/zinc/78/78/58/1293787858.db2.gz ABRQTCRVEVGGMR-MRVPVSSYSA-N 0 0 346.177 3.466 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000870054407 1295618341 /nfs/dbraw/zinc/61/83/41/1295618341.db2.gz QLKBCHNGGIXPOS-UPJWGTAASA-N 0 0 335.356 3.178 10 5 EGBERN O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ncc2n1CCCC2 ZINC000870278089 1295783285 /nfs/dbraw/zinc/78/32/85/1295783285.db2.gz DGSWCARBWRVIQZ-UHFFFAOYSA-N 0 0 347.396 3.077 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000870503004 1295909511 /nfs/dbraw/zinc/90/95/11/1295909511.db2.gz BGMZRRDGNYXEBR-CJNGLKHVSA-N 0 0 346.408 3.303 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000870706040 1296031175 /nfs/dbraw/zinc/03/11/75/1296031175.db2.gz KFZWCCWFVUVIIL-MBNYWOFBSA-N 0 0 338.429 3.101 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc2c(c1)CCC=C2 ZINC000870827437 1296104735 /nfs/dbraw/zinc/10/47/35/1296104735.db2.gz ANLRSNPRWKZHEV-UHFFFAOYSA-N 0 0 339.351 3.311 10 5 EGBERN CCSc1ccccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827552 1296106139 /nfs/dbraw/zinc/10/61/39/1296106139.db2.gz AKPHYUIVAIQTHU-UHFFFAOYSA-N 0 0 347.396 3.464 10 5 EGBERN CS[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829241 1296106187 /nfs/dbraw/zinc/10/61/87/1296106187.db2.gz JDNJPFJLWCASRU-ZALBZXLWSA-N 0 0 347.396 3.142 10 5 EGBERN C[C@@H]1[C@@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1c1ccccc1 ZINC000870828325 1296106278 /nfs/dbraw/zinc/10/62/78/1296106278.db2.gz OMCKWMAZWZFSPM-KDXVEUHBSA-N 0 0 341.367 3.088 10 5 EGBERN CC(C)(C)SCCCC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829064 1296106622 /nfs/dbraw/zinc/10/66/22/1296106622.db2.gz FRABPZJYUSPWDA-UHFFFAOYSA-N 0 0 341.433 3.350 10 5 EGBERN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC000222167790 1296129765 /nfs/dbraw/zinc/12/97/65/1296129765.db2.gz ULNGDINZZHDRPS-ALCCZGGFSA-N 0 0 333.344 3.331 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871123191 1296235294 /nfs/dbraw/zinc/23/52/94/1296235294.db2.gz NNFUMRAOMSQXPN-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000871250334 1296293886 /nfs/dbraw/zinc/29/38/86/1296293886.db2.gz PPQCYWJQTWONKF-QGZVFWFLSA-N 0 0 349.337 3.439 10 5 EGBERN Cc1nsc(C)c1COc1ccc(Br)nc1[N+](=O)[O-] ZINC000871695098 1296485016 /nfs/dbraw/zinc/48/50/16/1296485016.db2.gz ZDPYYOKLVDXXCU-UHFFFAOYSA-N 0 0 344.190 3.405 10 5 EGBERN CC(C)(C)n1ncnc1COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871695076 1296485372 /nfs/dbraw/zinc/48/53/72/1296485372.db2.gz YLJAEXBQOOXBJS-UHFFFAOYSA-N 0 0 328.731 3.313 10 5 EGBERN Cc1cncc(/C=C\C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000255568572 1296547580 /nfs/dbraw/zinc/54/75/80/1296547580.db2.gz IAVRTMAUQKUAFX-YFHOEESVSA-N 0 0 339.395 3.451 10 5 EGBERN Cc1ccc2c(c1)C=C(c1nc(CCC(C)(C)[N+](=O)[O-])no1)CO2 ZINC000871847639 1296566304 /nfs/dbraw/zinc/56/63/04/1296566304.db2.gz NFTJVOJGQLUIDF-UHFFFAOYSA-N 0 0 329.356 3.299 10 5 EGBERN Cc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 ZINC000871864452 1296577904 /nfs/dbraw/zinc/57/79/04/1296577904.db2.gz FNAKQYVRAUQUCU-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000871920896 1296611556 /nfs/dbraw/zinc/61/15/56/1296611556.db2.gz KHFPXVPVQWKWJJ-SFHVURJKSA-N 0 0 339.395 3.013 10 5 EGBERN C[C@H](NCc1ccc2c(c1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872018370 1296659891 /nfs/dbraw/zinc/65/98/91/1296659891.db2.gz KTKMIAAIVKJZJI-NSHDSACASA-N 0 0 332.331 3.356 10 5 EGBERN C[C@H](NCc1cnn(CC(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042915 1296692064 /nfs/dbraw/zinc/69/20/64/1296692064.db2.gz FPAAOVPUCUCENH-VIFPVBQESA-N 0 0 346.284 3.344 10 5 EGBERN COc1ccc(C(=O)O[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873580119 1297606682 /nfs/dbraw/zinc/60/66/82/1297606682.db2.gz QHVYYLACRPTLEK-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000879799281 1300740971 /nfs/dbraw/zinc/74/09/71/1300740971.db2.gz LLZWGLBDUPVMEN-SUMWQHHRSA-N 0 0 334.420 3.171 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880875768 1301307892 /nfs/dbraw/zinc/30/78/92/1301307892.db2.gz COCGSAMCNVEWLH-LBPRGKRZSA-N 0 0 346.383 3.066 10 5 EGBERN CC(C)(C(=O)N1CC[C@@H](c2nccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000881704040 1301697834 /nfs/dbraw/zinc/69/78/34/1301697834.db2.gz CXCJHDZZZVGMOF-GFCCVEGCSA-N 0 0 345.424 3.345 10 5 EGBERN C[C@H](NC(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378035 1302830847 /nfs/dbraw/zinc/83/08/47/1302830847.db2.gz FPSXPKLVKNSYRL-WFASDCNBSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000886009243 1303317075 /nfs/dbraw/zinc/31/70/75/1303317075.db2.gz DGGPKHITUVHBRI-BEFAXECRSA-N 0 0 343.427 3.118 10 5 EGBERN O=C(NCC[C@H]1CCC2(CCC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000886050183 1303335501 /nfs/dbraw/zinc/33/55/01/1303335501.db2.gz ACFYZESGLNLXCO-IXDOHACOSA-N 0 0 344.411 3.306 10 5 EGBERN C/C(=C\C(=O)N1CCOC[C@H]1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000886467888 1303471928 /nfs/dbraw/zinc/47/19/28/1303471928.db2.gz MXEFMGVXVADUHW-JIIJFUIFSA-N 0 0 330.384 3.026 10 5 EGBERN CC1(C)CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)OC1 ZINC000887412554 1303790095 /nfs/dbraw/zinc/79/00/95/1303790095.db2.gz RDRCTBUTSLDVHP-YESZJQIVSA-N 0 0 346.427 3.410 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000890445195 1304790537 /nfs/dbraw/zinc/79/05/37/1304790537.db2.gz YZXFXMKSDNVYRX-QGZVFWFLSA-N 0 0 346.427 3.335 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893852976 1306097930 /nfs/dbraw/zinc/09/79/30/1306097930.db2.gz IOENJDJAKDXSLY-SMDDNHRTSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000893860811 1306102103 /nfs/dbraw/zinc/10/21/03/1306102103.db2.gz CBMZECCBHYJFEJ-SWLSCSKDSA-N 0 0 340.807 3.112 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893863562 1306104012 /nfs/dbraw/zinc/10/40/12/1306104012.db2.gz FZAXFWIQAONOAT-GWCFXTLKSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000893909494 1306124371 /nfs/dbraw/zinc/12/43/71/1306124371.db2.gz PDEBVAICTWHRFB-LBPRGKRZSA-N 0 0 338.791 3.388 10 5 EGBERN COC(=O)c1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000893945672 1306139781 /nfs/dbraw/zinc/13/97/81/1306139781.db2.gz IOABNDVOKKZYRT-UHFFFAOYSA-N 0 0 347.396 3.003 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000894349528 1306354484 /nfs/dbraw/zinc/35/44/84/1306354484.db2.gz UKAGWWPMDJZAOM-BMIGLBTASA-N 0 0 333.775 3.412 10 5 EGBERN CC(C)(C(=O)NCC[C@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000894498263 1308923374 /nfs/dbraw/zinc/92/33/74/1308923374.db2.gz VEWVNBUARMADFZ-ZDUSSCGKSA-N 0 0 334.416 3.194 10 5 EGBERN COc1cccc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894654162 1309006007 /nfs/dbraw/zinc/00/60/07/1309006007.db2.gz BFBQXOVRYJEHKP-KRWDZBQOSA-N 0 0 348.399 3.073 10 5 EGBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCOC2(CCC2)C1 ZINC000894663629 1309011024 /nfs/dbraw/zinc/01/10/24/1309011024.db2.gz AJYWFLYHEWUHLZ-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000894699251 1309026796 /nfs/dbraw/zinc/02/67/96/1309026796.db2.gz DMTOKYSKKHTWNH-GOEBONIOSA-N 0 0 348.399 3.023 10 5 EGBERN CC(=O)c1cc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000895447480 1309342263 /nfs/dbraw/zinc/34/22/63/1309342263.db2.gz ZOTSOLFQTIWODS-MFKMUULPSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(C3CSC3)no2)c1 ZINC000896729231 1309990397 /nfs/dbraw/zinc/99/03/97/1309990397.db2.gz AMZNNPOLMLVBCD-UHFFFAOYSA-N 0 0 332.385 3.075 10 5 EGBERN Cc1ccc(Cc2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)cc1C ZINC000896872900 1310061858 /nfs/dbraw/zinc/06/18/58/1310061858.db2.gz DVBMYFWUTKRSSS-UHFFFAOYSA-N 0 0 341.371 3.165 10 5 EGBERN CC(=O)c1c(NCc2cc(C(F)(F)F)n(C)n2)cccc1[N+](=O)[O-] ZINC000897240018 1310238555 /nfs/dbraw/zinc/23/85/55/1310238555.db2.gz WCTWTHGCXLEKOF-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN O=C(NCC=C(Cl)Cl)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000898303784 1310670268 /nfs/dbraw/zinc/67/02/68/1310670268.db2.gz OOUURMDIQMKXCU-UHFFFAOYSA-N 0 0 329.183 3.452 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898409645 1310721356 /nfs/dbraw/zinc/72/13/56/1310721356.db2.gz MDEVTEPDHQELMC-AWEZNQCLSA-N 0 0 329.381 3.419 10 5 EGBERN O=C(Nc1ccc(CO)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000898590574 1310799457 /nfs/dbraw/zinc/79/94/57/1310799457.db2.gz ZMVLSGTZJBKVFL-UHFFFAOYSA-N 0 0 326.352 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCCCO3)CC2)c1C ZINC000899222382 1310986066 /nfs/dbraw/zinc/98/60/66/1310986066.db2.gz KKOMWLZXBAIVLC-UHFFFAOYSA-N 0 0 332.400 3.387 10 5 EGBERN C[C@]12CSC[C@H]1CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000929211921 1328538308 /nfs/dbraw/zinc/53/83/08/1328538308.db2.gz KYOASTJLPXGXNQ-OTYXRUKQSA-N 0 0 341.820 3.465 10 5 EGBERN COC1(C(=O)Oc2cccc([N+](=O)[O-])c2C)CCC(F)(F)CC1 ZINC000857579717 1328553308 /nfs/dbraw/zinc/55/33/08/1328553308.db2.gz DWLWUKVEQGGATI-UHFFFAOYSA-N 0 0 329.299 3.403 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857737487 1328592217 /nfs/dbraw/zinc/59/22/17/1328592217.db2.gz VZZZPHWYJNMXJL-QMMMGPOBSA-N 0 0 335.162 3.356 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000857970613 1328644298 /nfs/dbraw/zinc/64/42/98/1328644298.db2.gz KPYVBGLBMOCMKY-GFCCVEGCSA-N 0 0 331.759 3.103 10 5 EGBERN CCOc1cc(N2CC[C@H](Oc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000858009303 1328655158 /nfs/dbraw/zinc/65/51/58/1328655158.db2.gz SHNPIECHGBVPND-HNNXBMFYSA-N 0 0 343.383 3.355 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)nc1 ZINC000858007778 1328655214 /nfs/dbraw/zinc/65/52/14/1328655214.db2.gz DAIMLISYUOIQAB-MRXNPFEDSA-N 0 0 340.383 3.310 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ncccn2)C1 ZINC000899516516 1317067927 /nfs/dbraw/zinc/06/79/27/1317067927.db2.gz AAPXQUJDOWQVKR-CQSZACIVSA-N 0 0 340.383 3.021 10 5 EGBERN CCc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(C)n1 ZINC000899936734 1317203575 /nfs/dbraw/zinc/20/35/75/1317203575.db2.gz GCVGHQOFAAXMQR-UHFFFAOYSA-N 0 0 342.399 3.362 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858270788 1328726915 /nfs/dbraw/zinc/72/69/15/1328726915.db2.gz MXAVNMHNEXHUIX-GHMZBOCLSA-N 0 0 334.401 3.481 10 5 EGBERN O=C(CC[C@H]1CCCCO1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385049 1319020230 /nfs/dbraw/zinc/02/02/30/1319020230.db2.gz NBPSKCKKTIDXPY-LLVKDONJSA-N 0 0 344.770 3.353 10 5 EGBERN O=C(COCC1CCCC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385693 1319021637 /nfs/dbraw/zinc/02/16/37/1319021637.db2.gz HRRBJKJPZSJQTF-UHFFFAOYSA-N 0 0 344.770 3.210 10 5 EGBERN CCn1ncc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000858651505 1328817157 /nfs/dbraw/zinc/81/71/57/1328817157.db2.gz NNUWRUMHMRBYMP-UHFFFAOYSA-N 0 0 349.700 3.491 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCC(C)(C)CO2)c1F ZINC000914297048 1319288249 /nfs/dbraw/zinc/28/82/49/1319288249.db2.gz ROTFZRIKTRNTTB-SNVBAGLBSA-N 0 0 342.342 3.116 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000915089721 1319419141 /nfs/dbraw/zinc/41/91/41/1319419141.db2.gz IYTKNRORSBZHPO-OAHLLOKOSA-N 0 0 335.404 3.084 10 5 EGBERN O=C(OC[C@@H]1CC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915128900 1319428616 /nfs/dbraw/zinc/42/86/16/1319428616.db2.gz UMBINUAGWNWHED-CYBMUJFWSA-N 0 0 327.340 3.294 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000858691201 1328832806 /nfs/dbraw/zinc/83/28/06/1328832806.db2.gz YUUNPAFXKZGHJB-JTQLQIEISA-N 0 0 341.161 3.031 10 5 EGBERN Cc1cc(-c2nnc(COC(=O)c3ccccc3[N+](=O)[O-])o2)c(C)o1 ZINC000916468340 1319656060 /nfs/dbraw/zinc/65/60/60/1319656060.db2.gz OZSPNRUTOWQZJM-UHFFFAOYSA-N 0 0 343.295 3.212 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1SCCO[C@H]1CCOC1 ZINC000917162687 1319764939 /nfs/dbraw/zinc/76/49/39/1319764939.db2.gz BBRZKKRNDNNVPV-JTQLQIEISA-N 0 0 348.218 3.255 10 5 EGBERN Cc1ccc2oc(=O)n(CN3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c2c1 ZINC000917615797 1319852315 /nfs/dbraw/zinc/85/23/15/1319852315.db2.gz VEGJLHGIKNVVRL-GFCCVEGCSA-N 0 0 339.351 3.220 10 5 EGBERN O=[N+]([O-])c1cn(C[C@@H]2CCC3(CCC3)CO2)nc1-c1ccccn1 ZINC000918049029 1319909572 /nfs/dbraw/zinc/90/95/72/1319909572.db2.gz IZEYQEOYVVLPAL-ZDUSSCGKSA-N 0 0 328.372 3.203 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1cccc(F)c1 ZINC000918535207 1319971902 /nfs/dbraw/zinc/97/19/02/1319971902.db2.gz XVDGKIZWRKPBIV-UHFFFAOYSA-N 0 0 333.315 3.419 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000858794834 1328863345 /nfs/dbraw/zinc/86/33/45/1328863345.db2.gz WGTCQHQLQAWMDN-NFULHVNHSA-N 0 0 330.356 3.022 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC000858836639 1328872058 /nfs/dbraw/zinc/87/20/58/1328872058.db2.gz GHFBKXNDSQEHJX-LBPRGKRZSA-N 0 0 329.312 3.203 10 5 EGBERN COC[C@@]1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000858865493 1328880238 /nfs/dbraw/zinc/88/02/38/1328880238.db2.gz IVHSLQLCDCCWJQ-CYBMUJFWSA-N 0 0 335.187 3.143 10 5 EGBERN Cc1oc(C=O)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000930558056 1328895479 /nfs/dbraw/zinc/89/54/79/1328895479.db2.gz LECORKQDQQWSPN-UHFFFAOYSA-N 0 0 330.340 3.360 10 5 EGBERN Cn1nc2c(c1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000930592134 1328907695 /nfs/dbraw/zinc/90/76/95/1328907695.db2.gz PVZULTOIXGTFIA-UHFFFAOYSA-N 0 0 348.790 3.042 10 5 EGBERN Cc1ncc(CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)o1 ZINC000930723579 1328950396 /nfs/dbraw/zinc/95/03/96/1328950396.db2.gz NLXTWHTUWMTHHF-GFCCVEGCSA-N 0 0 333.241 3.424 10 5 EGBERN CN(CCc1ccccn1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930902129 1329002120 /nfs/dbraw/zinc/00/21/20/1329002120.db2.gz QQODIKPZKGJZDX-UHFFFAOYSA-N 0 0 347.802 3.277 10 5 EGBERN O=C(CN1CCOc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920406287 1322173902 /nfs/dbraw/zinc/17/39/02/1322173902.db2.gz MUSSRVBHHOOCKV-UHFFFAOYSA-N 0 0 347.758 3.086 10 5 EGBERN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H]2CCO[C@H]21 ZINC000859546868 1329014126 /nfs/dbraw/zinc/01/41/26/1329014126.db2.gz RMCSDMRMACDBKN-DJIMGWMZSA-N 0 0 340.379 3.291 10 5 EGBERN Cc1cccc(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922142226 1322465282 /nfs/dbraw/zinc/46/52/82/1322465282.db2.gz YJXBEMKOSKWLOY-KOLCDFICSA-N 0 0 333.262 3.170 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922207516 1322478877 /nfs/dbraw/zinc/47/88/77/1322478877.db2.gz XLTGETSZUVTNTP-ZSPDNNCOSA-N 0 0 327.283 3.052 10 5 EGBERN CCc1onc(C)c1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000922298550 1322495591 /nfs/dbraw/zinc/49/55/91/1322495591.db2.gz IMKXXHAXTGWUGN-UHFFFAOYSA-N 0 0 336.369 3.289 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1F ZINC000922416310 1322524503 /nfs/dbraw/zinc/52/45/03/1322524503.db2.gz UERJTIZIDYJOIF-YOEHRIQHSA-N 0 0 346.333 3.418 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000922523297 1322548743 /nfs/dbraw/zinc/54/87/43/1322548743.db2.gz JXOIVRAYWYTHRK-LDYMZIIASA-N 0 0 337.225 3.001 10 5 EGBERN Cc1cc(COC(=O)CCC(C)(C)[N+](=O)[O-])cnc1Br ZINC000922770290 1322613919 /nfs/dbraw/zinc/61/39/19/1322613919.db2.gz JMPOPAWYVMHINB-UHFFFAOYSA-N 0 0 345.193 3.031 10 5 EGBERN C[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000923065060 1322685721 /nfs/dbraw/zinc/68/57/21/1322685721.db2.gz ZQXMQUSYOZRXTR-TVQRCGJNSA-N 0 0 347.289 3.472 10 5 EGBERN C[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC000923593676 1322779660 /nfs/dbraw/zinc/77/96/60/1322779660.db2.gz BDSNITTZOMKECY-JTQLQIEISA-N 0 0 335.747 3.275 10 5 EGBERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCc1csc([N+](=O)[O-])c1 ZINC000923720531 1322797229 /nfs/dbraw/zinc/79/72/29/1322797229.db2.gz DTQYSDWBMQAVAP-RKDXNWHRSA-N 0 0 339.291 3.200 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000923761850 1322804503 /nfs/dbraw/zinc/80/45/03/1322804503.db2.gz UJRSUSWRRUFQJB-HIFRSBDPSA-N 0 0 329.356 3.069 10 5 EGBERN Cc1ncsc1CCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923960510 1322855697 /nfs/dbraw/zinc/85/56/97/1322855697.db2.gz BMGCHXHLHUKKDR-UHFFFAOYSA-N 0 0 338.360 3.217 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000923959272 1322856233 /nfs/dbraw/zinc/85/62/33/1322856233.db2.gz YGYPKFTVRYFKKO-IAQYHMDHSA-N 0 0 328.372 3.104 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000923962448 1322856805 /nfs/dbraw/zinc/85/68/05/1322856805.db2.gz NMBJIISDTMDWIW-IVMMDQJWSA-N 0 0 337.347 3.167 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1CCC2(CCC2)O1 ZINC000923964458 1322857852 /nfs/dbraw/zinc/85/78/52/1322857852.db2.gz ZNZPTMNJODDKPP-AWEZNQCLSA-N 0 0 337.347 3.311 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc([C@H]2CCCOC2)no1 ZINC000924026458 1322877349 /nfs/dbraw/zinc/87/73/49/1322877349.db2.gz DYXSXWKLZZFZIO-JTQLQIEISA-N 0 0 337.763 3.310 10 5 EGBERN CO[C@](C)(c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)C1CC1 ZINC000924076044 1322890942 /nfs/dbraw/zinc/89/09/42/1322890942.db2.gz RWFVRYQTPOTVGT-INIZCTEOSA-N 0 0 335.335 3.174 10 5 EGBERN O=C(COC(=O)[C@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000859703831 1329058902 /nfs/dbraw/zinc/05/89/02/1329058902.db2.gz FZIOVKMNNYXREK-MGULZYLOSA-N 0 0 335.331 3.286 10 5 EGBERN CC1(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC=CC1 ZINC000924198247 1322932219 /nfs/dbraw/zinc/93/22/19/1322932219.db2.gz ASYLQIBDYPGIEA-UHFFFAOYSA-N 0 0 338.747 3.086 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)C[C@@H]1CCCC1(F)F ZINC000924333946 1322987600 /nfs/dbraw/zinc/98/76/00/1322987600.db2.gz ABFMEDGPQXXRDM-NSHDSACASA-N 0 0 329.299 3.472 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924377476 1323001236 /nfs/dbraw/zinc/00/12/36/1323001236.db2.gz JXMTYZGJOQATDH-MAUKXSAKSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000924465466 1323030584 /nfs/dbraw/zinc/03/05/84/1323030584.db2.gz NYYXWXKCEMEFQU-ZANVPECISA-N 0 0 342.754 3.028 10 5 EGBERN CCCc1[nH]ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859722279 1329064235 /nfs/dbraw/zinc/06/42/35/1329064235.db2.gz ANPJTKMMSJIYNV-UHFFFAOYSA-N 0 0 334.303 3.054 10 5 EGBERN Cc1c(NC(=O)NCc2nccc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000924525872 1323043391 /nfs/dbraw/zinc/04/33/91/1323043391.db2.gz RAMIFEUQTYNNTO-UHFFFAOYSA-N 0 0 340.383 3.499 10 5 EGBERN O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811561 1329083539 /nfs/dbraw/zinc/08/35/39/1329083539.db2.gz RZMGMXNZQDUNAS-ZDUSSCGKSA-N 0 0 341.319 3.001 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000860071763 1329141119 /nfs/dbraw/zinc/14/11/19/1329141119.db2.gz CLTTVOLYZMAPMU-CYBMUJFWSA-N 0 0 337.372 3.240 10 5 EGBERN C[C@@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860178178 1329167368 /nfs/dbraw/zinc/16/73/68/1329167368.db2.gz HIQRYPRKDSEUHQ-BXUZGUMPSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@@H](OC(=O)[C@@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000860182775 1329169295 /nfs/dbraw/zinc/16/92/95/1329169295.db2.gz SHAHOIQQSDYVEH-KZULUSFZSA-N 0 0 343.335 3.429 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259325 1329183967 /nfs/dbraw/zinc/18/39/67/1329183967.db2.gz CDFAMWFJENCOKI-SNVBAGLBSA-N 0 0 327.768 3.186 10 5 EGBERN C[C@@H](NC(=O)NC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000925247100 1325095140 /nfs/dbraw/zinc/09/51/40/1325095140.db2.gz IDZQRRGXFOAEHI-DOMZBBRYSA-N 0 0 335.404 3.303 10 5 EGBERN C[S@@](=O)(=NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000926010111 1325388204 /nfs/dbraw/zinc/38/82/04/1325388204.db2.gz BIFMQFDHMIFPGK-QFIPXVFZSA-N 0 0 328.365 3.305 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(C(C)C)c1Cl ZINC000862094098 1329458325 /nfs/dbraw/zinc/45/83/25/1329458325.db2.gz FZIIOEXTXJHVJT-UHFFFAOYSA-N 0 0 337.767 3.320 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860586264 1329333612 /nfs/dbraw/zinc/33/36/12/1329333612.db2.gz ZQUQERHVCAHRJX-YDEXJTGXSA-N 0 0 327.768 3.182 10 5 EGBERN C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO[C@H]1C1CC1 ZINC000860779504 1329354549 /nfs/dbraw/zinc/35/45/49/1329354549.db2.gz DBLKEMKQIJMPAR-HKUYNNGSSA-N 0 0 340.379 3.435 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCO1 ZINC000927197243 1327915712 /nfs/dbraw/zinc/91/57/12/1327915712.db2.gz TWLHCYPQABGSSO-SFHVURJKSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927280454 1327951961 /nfs/dbraw/zinc/95/19/61/1327951961.db2.gz BPDXDQUGCRLLPN-CYBMUJFWSA-N 0 0 346.280 3.030 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc([N+](=O)[O-])c1 ZINC000927286266 1327956240 /nfs/dbraw/zinc/95/62/40/1327956240.db2.gz MLTUEEUTXCODIK-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccs2)C1 ZINC000928281226 1328274065 /nfs/dbraw/zinc/27/40/65/1328274065.db2.gz VIJBGBVLFOWHEM-ZDUSSCGKSA-N 0 0 345.424 3.075 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000928589154 1328366151 /nfs/dbraw/zinc/36/61/51/1328366151.db2.gz LYJHCTWREBUFNN-JTQLQIEISA-N 0 0 328.796 3.111 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000929118565 1328509805 /nfs/dbraw/zinc/50/98/05/1328509805.db2.gz PTQIVHCSEVMOCQ-AWEZNQCLSA-N 0 0 329.360 3.006 10 5 EGBERN Cc1ccc(NC(=O)C2(C)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000929132654 1328514951 /nfs/dbraw/zinc/51/49/51/1328514951.db2.gz GIIIHAYKGZIXER-UHFFFAOYSA-N 0 0 334.372 3.165 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@]1(C)Br ZINC000861762168 1329440056 /nfs/dbraw/zinc/44/00/56/1329440056.db2.gz FNTRFSCCCYIEFY-ZANVPECISA-N 0 0 327.178 3.324 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861935235 1329451569 /nfs/dbraw/zinc/45/15/69/1329451569.db2.gz VSAOTSVZMLOWJC-IAGOWNOFSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000862204096 1329465390 /nfs/dbraw/zinc/46/53/90/1329465390.db2.gz XKSMPFZLXFMADT-IUODEOHRSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000862377617 1329480277 /nfs/dbraw/zinc/48/02/77/1329480277.db2.gz JQPIUMUFAZYAIQ-QLFBSQMISA-N 0 0 343.427 3.361 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCCOC2)cc1Cl ZINC000862395647 1329481976 /nfs/dbraw/zinc/48/19/76/1329481976.db2.gz XBRCSMCMQIJYOK-LLVKDONJSA-N 0 0 326.780 3.103 10 5 EGBERN CCC(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)(C1CC1)C1CC1 ZINC000862685171 1329502792 /nfs/dbraw/zinc/50/27/92/1329502792.db2.gz BVNIXCAZASRHEQ-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[C@@H]1CC=CCC1 ZINC000862945738 1329518996 /nfs/dbraw/zinc/51/89/96/1329518996.db2.gz APDADCUONZPTSA-GFCCVEGCSA-N 0 0 349.362 3.169 10 5 EGBERN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863281094 1329543846 /nfs/dbraw/zinc/54/38/46/1329543846.db2.gz AKNUEFYBCSYAOV-CXAGYDPISA-N 0 0 326.352 3.045 10 5 EGBERN C/C=C/C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339920 1329548310 /nfs/dbraw/zinc/54/83/10/1329548310.db2.gz GSSSACRRRIFNOV-XYBNCVKDSA-N 0 0 341.415 3.489 10 5 EGBERN CC1(C)C[C@H](SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CO1 ZINC000863355892 1329549720 /nfs/dbraw/zinc/54/97/20/1329549720.db2.gz PKUTZSBBXBSAPC-JTQLQIEISA-N 0 0 344.820 3.487 10 5 EGBERN Cc1cc(C(=O)NCC2(C(F)(F)F)CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000863508622 1329559476 /nfs/dbraw/zinc/55/94/76/1329559476.db2.gz GENFDRGGLWEDRR-UHFFFAOYSA-N 0 0 345.321 3.338 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000863595743 1329565325 /nfs/dbraw/zinc/56/53/25/1329565325.db2.gz JJLBNKOGGBTBSB-UHFFFAOYSA-N 0 0 334.372 3.419 10 5 EGBERN Cc1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])cnc2N)cc1F ZINC000863600713 1329565610 /nfs/dbraw/zinc/56/56/10/1329565610.db2.gz DUZKPUDRPVSVFR-UHFFFAOYSA-N 0 0 344.346 3.076 10 5 EGBERN CCOc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC000864006166 1329593566 /nfs/dbraw/zinc/59/35/66/1329593566.db2.gz HDTVOSORQJBYLZ-UHFFFAOYSA-N 0 0 329.356 3.013 10 5 EGBERN C[C@@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864405270 1329612185 /nfs/dbraw/zinc/61/21/85/1329612185.db2.gz GHFAWKITBFKGJG-SNVBAGLBSA-N 0 0 341.205 3.158 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865125224 1329670987 /nfs/dbraw/zinc/67/09/87/1329670987.db2.gz IUOSRDOCFNQKJB-JTQLQIEISA-N 0 0 332.335 3.083 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CC2(CO1)CCOCC2 ZINC000865346371 1329687763 /nfs/dbraw/zinc/68/77/63/1329687763.db2.gz LHXWXAQESPBQPA-GFCCVEGCSA-N 0 0 327.764 3.213 10 5 EGBERN CCC[C@H](O)CCCSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000865381625 1329690424 /nfs/dbraw/zinc/69/04/24/1329690424.db2.gz LSRJJFLEEDIZCY-LBPRGKRZSA-N 0 0 344.408 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ncccn3)C2)c(C(F)F)c1 ZINC000865448104 1329698825 /nfs/dbraw/zinc/69/88/25/1329698825.db2.gz ASCBACQRTHYFMP-NSHDSACASA-N 0 0 349.341 3.403 10 5 EGBERN Cc1ccc(C2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)cn1 ZINC000865671122 1329727717 /nfs/dbraw/zinc/72/77/17/1329727717.db2.gz RIQCBWRZDNQPSO-UHFFFAOYSA-N 0 0 345.374 3.314 10 5 EGBERN CC(C)c1ncc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865704855 1329730994 /nfs/dbraw/zinc/73/09/94/1329730994.db2.gz AYDOBNJBYUFTHE-INIZCTEOSA-N 0 0 335.429 3.172 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865724118 1329732706 /nfs/dbraw/zinc/73/27/06/1329732706.db2.gz HQGCCHHWTQZKHI-GTNSWQLSSA-N 0 0 328.343 3.326 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000865903123 1329750753 /nfs/dbraw/zinc/75/07/53/1329750753.db2.gz CXRODKVZGZHHPD-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@]1(C)C[C@@]1(F)Cl ZINC000865907135 1329750936 /nfs/dbraw/zinc/75/09/36/1329750936.db2.gz CFJJMBCHRKZUQF-ZJUUUORDSA-N 0 0 344.696 3.464 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1F ZINC000865955520 1329754555 /nfs/dbraw/zinc/75/45/55/1329754555.db2.gz GQGKGBCCAJGUFI-OAUYIBNBSA-N 0 0 332.306 3.116 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000866005608 1329758316 /nfs/dbraw/zinc/75/83/16/1329758316.db2.gz YTBIHOYRDKEWJQ-TVRKMHQQSA-N 0 0 346.427 3.239 10 5 EGBERN CC[C@H](NC(=O)c1ccnc(F)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000934210102 1329955773 /nfs/dbraw/zinc/95/57/73/1329955773.db2.gz YABAMIMJHKXKHB-ZDUSSCGKSA-N 0 0 333.319 3.019 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(OC(F)F)c1 ZINC000866043084 1330058711 /nfs/dbraw/zinc/05/87/11/1330058711.db2.gz ATEQCCGFSTUIQR-PXBLZKCCSA-N 0 0 326.299 3.032 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000866053194 1330059890 /nfs/dbraw/zinc/05/98/90/1330059890.db2.gz OYNOSRGZAFNITB-KDOFPFPSSA-N 0 0 346.358 3.445 10 5 EGBERN CO[C@H]1CC[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000866069502 1330061937 /nfs/dbraw/zinc/06/19/37/1330061937.db2.gz FEIUSNJPTMYKRI-WPRPVWTQSA-N 0 0 344.209 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CC2(CO1)CCOCC2 ZINC000866175905 1330073922 /nfs/dbraw/zinc/07/39/22/1330073922.db2.gz PLLBINNLPBASJP-GFCCVEGCSA-N 0 0 326.780 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CCNC2=O)cc1 ZINC000866197506 1330077167 /nfs/dbraw/zinc/07/71/67/1330077167.db2.gz OUKTUOJTRQBSNJ-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CCNC2=O)cc1 ZINC000866198153 1330077320 /nfs/dbraw/zinc/07/73/20/1330077320.db2.gz YHOASWOXKVJQMD-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN COc1ccc([C@@H]2CN(c3c(OC)cccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233739 1330082043 /nfs/dbraw/zinc/08/20/43/1330082043.db2.gz IBLCCGLUADGIDO-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000866234394 1330082099 /nfs/dbraw/zinc/08/20/99/1330082099.db2.gz SBOSRMHNDBAXKG-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN CN1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])Cc2cccnc21 ZINC000866293101 1330091552 /nfs/dbraw/zinc/09/15/52/1330091552.db2.gz CRIQONCHCHRPBS-UHFFFAOYSA-N 0 0 334.326 3.384 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Nc3cnn4c3CCCC4)CC2)cc1 ZINC000866461214 1330115289 /nfs/dbraw/zinc/11/52/89/1330115289.db2.gz NZWJTGOBGWZWGZ-UHFFFAOYSA-N 0 0 341.415 3.209 10 5 EGBERN O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000867307502 1330192925 /nfs/dbraw/zinc/19/29/25/1330192925.db2.gz SHMZHEYJJPVUOC-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867959789 1330233764 /nfs/dbraw/zinc/23/37/64/1330233764.db2.gz FGBOLOACOFRCGJ-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000868033864 1330242659 /nfs/dbraw/zinc/24/26/59/1330242659.db2.gz PTUFKGNLIKQMSU-AWEZNQCLSA-N 0 0 329.356 3.373 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000868120928 1330251809 /nfs/dbraw/zinc/25/18/09/1330251809.db2.gz ATKZIJVHIWPUMM-NUTKFTJISA-N 0 0 347.415 3.160 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000868122819 1330251825 /nfs/dbraw/zinc/25/18/25/1330251825.db2.gz RHVXDFVLZADMSU-FPMFFAJLSA-N 0 0 335.429 3.050 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000868392292 1330276177 /nfs/dbraw/zinc/27/61/77/1330276177.db2.gz WYWAGCJNWMJFRJ-SNVBAGLBSA-N 0 0 343.836 3.191 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](c2cccnc2)C1 ZINC000869044476 1330400739 /nfs/dbraw/zinc/40/07/39/1330400739.db2.gz OIDGIUFFGPHUKB-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN COc1ccccc1CN(C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869053612 1330403346 /nfs/dbraw/zinc/40/33/46/1330403346.db2.gz OVPPFZKVPBWBFC-UHFFFAOYSA-N 0 0 343.383 3.253 10 5 EGBERN CCCCC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000869409241 1330485208 /nfs/dbraw/zinc/48/52/08/1330485208.db2.gz QCRCGBYLYWCKJM-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCSC1 ZINC000869611810 1330533243 /nfs/dbraw/zinc/53/32/43/1330533243.db2.gz HDWSWQXFFJHCHX-RYUDHWBXSA-N 0 0 340.470 3.335 10 5 EGBERN CC(C)(C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCO1 ZINC000869713771 1330551503 /nfs/dbraw/zinc/55/15/03/1330551503.db2.gz JMWWMYOLLZGDDX-AWEZNQCLSA-N 0 0 325.336 3.372 10 5 EGBERN O=C(OCCOCC(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811955 1330569294 /nfs/dbraw/zinc/56/92/94/1330569294.db2.gz WMQXAHBVOKUOHY-UHFFFAOYSA-N 0 0 347.289 3.139 10 5 EGBERN C[C@H](OC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000869855143 1330577026 /nfs/dbraw/zinc/57/70/26/1330577026.db2.gz LWBSWTLHZASKTJ-NEPJUHHUSA-N 0 0 329.356 3.292 10 5 EGBERN CCn1c(CNc2c(Cl)cncc2[N+](=O)[O-])nc2ccccc21 ZINC001184644375 1387502639 /nfs/dbraw/zinc/50/26/39/1387502639.db2.gz NHWLIYMZPAYEKL-UHFFFAOYSA-N 0 0 331.763 3.047 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1Cc2ccccc21 ZINC001184965838 1387574772 /nfs/dbraw/zinc/57/47/72/1387574772.db2.gz OVWCPEAQXZDFIK-VIFPVBQESA-N 0 0 326.278 3.099 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC001324685510 1387735845 /nfs/dbraw/zinc/73/58/45/1387735845.db2.gz JDXYEKJCOCVGSL-NHYWBVRUSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)(C)N1C[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1=O ZINC001185649117 1387768240 /nfs/dbraw/zinc/76/82/40/1387768240.db2.gz GNYGSXPYBHMKRA-JTQLQIEISA-N 0 0 345.321 3.425 10 5 EGBERN COc1cc(NCCCc2c(C)noc2C)c([N+](=O)[O-])cc1OC ZINC001185756168 1387791358 /nfs/dbraw/zinc/79/13/58/1387791358.db2.gz KUMYVMJWMQHWSZ-UHFFFAOYSA-N 0 0 335.360 3.262 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOCc2ccc(Cl)cc2)c(F)c1 ZINC001185811017 1387807015 /nfs/dbraw/zinc/80/70/15/1387807015.db2.gz UXEHKAKLKGBKTO-UHFFFAOYSA-N 0 0 325.727 3.411 10 5 EGBERN Cc1c(Nc2c(Cl)cncc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC001185857406 1387817112 /nfs/dbraw/zinc/81/71/12/1387817112.db2.gz NKRFGKNJAFHHON-UHFFFAOYSA-N 0 0 329.747 3.303 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1cccc(F)c1Cl)CCCC2 ZINC001189602055 1367064903 /nfs/dbraw/zinc/06/49/03/1367064903.db2.gz ZOPYWBHCQOWKMJ-UHFFFAOYSA-N 0 0 336.750 3.476 10 5 EGBERN O=[N+]([O-])c1cc(OCc2c(F)cccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001189710830 1367093571 /nfs/dbraw/zinc/09/35/71/1367093571.db2.gz BNBCZNWQYKKUBM-UHFFFAOYSA-N 0 0 337.219 3.129 10 5 EGBERN CC(C)c1ccc([C@H](NC(=O)Cn2ccnc2[N+](=O)[O-])C(C)C)cc1 ZINC001189938609 1367135896 /nfs/dbraw/zinc/13/58/96/1367135896.db2.gz HOXJKTURAYXEPR-QGZVFWFLSA-N 0 0 344.415 3.428 10 5 EGBERN COC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1C ZINC001186130873 1387875787 /nfs/dbraw/zinc/87/57/87/1387875787.db2.gz IKJWZMAFUNNVMD-PSASIEDQSA-N 0 0 332.278 3.001 10 5 EGBERN CC[C@@](NCc1ccc(C)c([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC001194263069 1368218541 /nfs/dbraw/zinc/21/85/41/1368218541.db2.gz SYFUNMNIEPRKQQ-IBGZPJMESA-N 0 0 342.395 3.471 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](OC)C23CCC3)cc1C ZINC001186669935 1387997156 /nfs/dbraw/zinc/99/71/56/1387997156.db2.gz QELOQNYPEWGPDJ-HOTGVXAUSA-N 0 0 348.399 3.449 10 5 EGBERN CCOc1cc(N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC001186864299 1388017296 /nfs/dbraw/zinc/01/72/96/1388017296.db2.gz DZNJJVUZSRCECE-FZKQIMNGSA-N 0 0 348.399 3.163 10 5 EGBERN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1OC ZINC001118931089 1371252191 /nfs/dbraw/zinc/25/21/91/1371252191.db2.gz YZIANKZRKAOMCO-LBPRGKRZSA-N 0 0 332.360 3.274 10 5 EGBERN C[C@H]1Cc2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2O1 ZINC001187549720 1388125276 /nfs/dbraw/zinc/12/52/76/1388125276.db2.gz CPUQWOFSPCIBKJ-JTQLQIEISA-N 0 0 329.312 3.439 10 5 EGBERN CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001119642483 1371381371 /nfs/dbraw/zinc/38/13/71/1371381371.db2.gz ZSUQCZFLGKHBLL-ZDUSSCGKSA-N 0 0 348.790 3.380 10 5 EGBERN CC(C)[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1cnn(C)c1 ZINC001187792576 1388163512 /nfs/dbraw/zinc/16/35/12/1388163512.db2.gz PVLRMXIPPURUCM-INIZCTEOSA-N 0 0 329.404 3.411 10 5 EGBERN C[C@@H]([C@@H](OC(=O)Cc1cc(C2CC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001123035527 1372366206 /nfs/dbraw/zinc/36/62/06/1372366206.db2.gz VVFVWVBAULDAMT-DYZYQPBXSA-N 0 0 348.330 3.183 10 5 EGBERN C[C@H]([C@@H](OC(=O)C[C@@H]1CC(C)(C)CO1)c1ccccc1F)[N+](=O)[O-] ZINC001123120398 1372384418 /nfs/dbraw/zinc/38/44/18/1372384418.db2.gz UEIRDKAQLLRXEE-XHBSWPGZSA-N 0 0 339.363 3.280 10 5 EGBERN CCC(C)(C)CCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC001187955181 1388197574 /nfs/dbraw/zinc/19/75/74/1388197574.db2.gz DFBZPKHILWNEQT-QGZVFWFLSA-N 0 0 333.388 3.188 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001123238278 1372404423 /nfs/dbraw/zinc/40/44/23/1372404423.db2.gz FGNKUEIUNSNPCE-HOCLYGCPSA-N 0 0 339.363 3.271 10 5 EGBERN C[C@@H](C(=O)OC[C@@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001123242361 1372405433 /nfs/dbraw/zinc/40/54/33/1372405433.db2.gz QCRYNSBXZJSDPP-VXGBXAGGSA-N 0 0 339.363 3.443 10 5 EGBERN CC(C)(C(=O)OC[C@]12CCC[C@H]1OCC2)c1ccccc1[N+](=O)[O-] ZINC001123329440 1372427826 /nfs/dbraw/zinc/42/78/26/1372427826.db2.gz FIOILTSLKBHPQY-CRAIPNDOSA-N 0 0 333.384 3.375 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccnc(-c2ccco2)c1 ZINC001124076079 1372668910 /nfs/dbraw/zinc/66/89/10/1372668910.db2.gz TYDJNUOHNGKVGE-UHFFFAOYSA-N 0 0 340.291 3.478 10 5 EGBERN C[C@@H](OCc1ccc(F)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001124352871 1372693976 /nfs/dbraw/zinc/69/39/76/1372693976.db2.gz OUAKPNIZCGXJTL-GFCCVEGCSA-N 0 0 333.315 3.382 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)o1 ZINC001124404012 1372698744 /nfs/dbraw/zinc/69/87/44/1372698744.db2.gz RYMXTXCYFYEMIW-UHFFFAOYSA-N 0 0 330.218 3.381 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2n1 ZINC001124413687 1372699892 /nfs/dbraw/zinc/69/98/92/1372699892.db2.gz NNEHPMWAWUELAC-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN COCCN(CC(C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001124657127 1372720500 /nfs/dbraw/zinc/72/05/00/1372720500.db2.gz BOFLCPKHUZFGQA-UHFFFAOYSA-N 0 0 342.823 3.312 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001124881956 1372737835 /nfs/dbraw/zinc/73/78/35/1372737835.db2.gz DGSRXSPOEUCFDY-CQSZACIVSA-N 0 0 344.342 3.259 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-n2ccnc2)c1 ZINC001125084004 1372752349 /nfs/dbraw/zinc/75/23/49/1372752349.db2.gz OPAKMNAVOPIZPF-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)n1 ZINC001125284759 1372767070 /nfs/dbraw/zinc/76/70/70/1372767070.db2.gz ZVJVVXIEZOBSLR-UHFFFAOYSA-N 0 0 344.346 3.290 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc2scnc2c1 ZINC001125311685 1372768871 /nfs/dbraw/zinc/76/88/71/1372768871.db2.gz QCUKZEPREOUJKA-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN O=C(Nc1ccc(F)cn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001125789715 1372856886 /nfs/dbraw/zinc/85/68/86/1372856886.db2.gz FGMLDJZZKRCZKZ-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN CC(C)COc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC001126020503 1372912179 /nfs/dbraw/zinc/91/21/79/1372912179.db2.gz AAWZPCYYPQSWHV-UHFFFAOYSA-N 0 0 347.346 3.345 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001126148700 1372943310 /nfs/dbraw/zinc/94/33/10/1372943310.db2.gz VHPYQHHAHYNDIE-HZPDHXFCSA-N 0 0 349.350 3.122 10 5 EGBERN COC(=O)c1cc(NC(=O)C2CC(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001126299574 1372955281 /nfs/dbraw/zinc/95/52/81/1372955281.db2.gz CXDXMPZRZGPKSH-UHFFFAOYSA-N 0 0 334.372 3.392 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C1 ZINC001126303047 1372955301 /nfs/dbraw/zinc/95/53/01/1372955301.db2.gz HCTOGMMKIWIULC-FCLUMBPUSA-N 0 0 346.383 3.456 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001126368178 1372961378 /nfs/dbraw/zinc/96/13/78/1372961378.db2.gz OJISGPNOLHEKNP-BYNSBNAKSA-N 0 0 331.416 3.114 10 5 EGBERN Cc1nc(NC(=O)c2cc(F)cc3ccncc32)ccc1[N+](=O)[O-] ZINC001126707632 1373002742 /nfs/dbraw/zinc/00/27/42/1373002742.db2.gz MTHIGHVNXBJBKK-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3SC[C@@H]2C)n1 ZINC001126831661 1373037875 /nfs/dbraw/zinc/03/78/75/1373037875.db2.gz WNVDPGIPDHURBR-NSHDSACASA-N 0 0 329.381 3.439 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2ncccc2o1 ZINC001127126898 1373092540 /nfs/dbraw/zinc/09/25/40/1373092540.db2.gz HNIDKKYGPKZQNG-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)nn1 ZINC001127460783 1373128815 /nfs/dbraw/zinc/12/88/15/1373128815.db2.gz IQPNJFIIRSTWCL-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001127623396 1373149748 /nfs/dbraw/zinc/14/97/48/1373149748.db2.gz AOIGYEZGZANXDL-ZBFHGGJFSA-N 0 0 348.399 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001127784510 1373179161 /nfs/dbraw/zinc/17/91/61/1373179161.db2.gz WJSKRFCBMIOADY-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)n1 ZINC001127937052 1373202364 /nfs/dbraw/zinc/20/23/64/1373202364.db2.gz DDXQRSJVMBVTDU-UHFFFAOYSA-N 0 0 347.321 3.381 10 5 EGBERN COc1ccc(OC(=O)c2ccnc(-n3cccc3)c2)cc1[N+](=O)[O-] ZINC001127986791 1373206600 /nfs/dbraw/zinc/20/66/00/1373206600.db2.gz DJUNXLBKMWJCOO-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN CN(C)c1ccc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC001128003263 1373208017 /nfs/dbraw/zinc/20/80/17/1373208017.db2.gz YVHDLFSFJMWOJI-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN Cc1cnc(COC(=O)/C=C/c2cccnc2C)c(C)c1[N+](=O)[O-] ZINC001128190754 1373232186 /nfs/dbraw/zinc/23/21/86/1373232186.db2.gz WHEVHHDRMCJLDM-VOTSOKGWSA-N 0 0 327.340 3.067 10 5 EGBERN CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CCC(C)(C)C1 ZINC001128694052 1373303535 /nfs/dbraw/zinc/30/35/35/1373303535.db2.gz WIJOPABHIJAUKZ-BLLLJJGKSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCC3=O)cc2)c1F ZINC001128795254 1373311665 /nfs/dbraw/zinc/31/16/65/1373311665.db2.gz CNHSJURIRCTHFB-UHFFFAOYSA-N 0 0 343.314 3.031 10 5 EGBERN CC(C)(CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1 ZINC001129083498 1373344168 /nfs/dbraw/zinc/34/41/68/1373344168.db2.gz RONXMMXPWRKVFM-MRXNPFEDSA-N 0 0 345.399 3.030 10 5 EGBERN CC(=O)Nc1ccc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001129136720 1373351194 /nfs/dbraw/zinc/35/11/94/1373351194.db2.gz ZZDFXFFTIPYHKN-UHFFFAOYSA-N 0 0 346.314 3.358 10 5 EGBERN COc1cc(C)ccc1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129217302 1373361899 /nfs/dbraw/zinc/36/18/99/1373361899.db2.gz WKRLXEJYCVVUNG-UHFFFAOYSA-N 0 0 330.315 3.254 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001129817997 1373425714 /nfs/dbraw/zinc/42/57/14/1373425714.db2.gz VMBBQEJBJQJOLK-VIFPVBQESA-N 0 0 334.353 3.185 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](C2CCCC2)C1 ZINC001130093707 1373454678 /nfs/dbraw/zinc/45/46/78/1373454678.db2.gz MPCPUDQITOQRNA-HNNXBMFYSA-N 0 0 331.416 3.436 10 5 EGBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001130397454 1373519106 /nfs/dbraw/zinc/51/91/06/1373519106.db2.gz VHEADQZXCQDQLJ-XSCHDIRWSA-N 0 0 332.400 3.305 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001130492051 1373551487 /nfs/dbraw/zinc/55/14/87/1373551487.db2.gz AHFXRVVCAQXPPQ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CCOc1cc(NC(=O)/C=C/c2cnccc2C)ccc1[N+](=O)[O-] ZINC001130798527 1373592834 /nfs/dbraw/zinc/59/28/34/1373592834.db2.gz FAKIYUGCBIHCPQ-QPJJXVBHSA-N 0 0 327.340 3.349 10 5 EGBERN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC001130854142 1373598456 /nfs/dbraw/zinc/59/84/56/1373598456.db2.gz FHWAOTPPBFKQEU-UHFFFAOYSA-N 0 0 338.407 3.500 10 5 EGBERN O=C(Cn1ccc2ccccc21)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130850435 1373598465 /nfs/dbraw/zinc/59/84/65/1373598465.db2.gz XDDWAADXXLNMOM-UHFFFAOYSA-N 0 0 341.279 3.063 10 5 EGBERN CC(C)n1cc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cn1 ZINC001131115610 1373645486 /nfs/dbraw/zinc/64/54/86/1373645486.db2.gz REGCRNJVEUFYDU-UHFFFAOYSA-N 0 0 339.355 3.360 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CCc3nc(F)ccc32)cc1Cl ZINC001131174366 1373657020 /nfs/dbraw/zinc/65/70/20/1373657020.db2.gz HIAVUQRDNQJKNV-UHFFFAOYSA-N 0 0 335.722 3.294 10 5 EGBERN CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001131202989 1373661417 /nfs/dbraw/zinc/66/14/17/1373661417.db2.gz XTWWFZWDTNBNEU-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN COCc1csc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001131299873 1373677835 /nfs/dbraw/zinc/67/78/35/1373677835.db2.gz PDXHKNOBSIKJEH-UHFFFAOYSA-N 0 0 340.788 3.386 10 5 EGBERN CCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C)s1 ZINC001131633130 1373739119 /nfs/dbraw/zinc/73/91/19/1373739119.db2.gz SUMHISVNRSTSIW-UHFFFAOYSA-N 0 0 339.398 3.028 10 5 EGBERN CCOc1cccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001131644492 1373742029 /nfs/dbraw/zinc/74/20/29/1373742029.db2.gz UTYVOMKIPXNVRP-UHFFFAOYSA-N 0 0 331.324 3.286 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC001131678869 1373759257 /nfs/dbraw/zinc/75/92/57/1373759257.db2.gz LFGNLHVTBNUAPD-KRWDZBQOSA-N 0 0 349.431 3.352 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC001131679289 1373759270 /nfs/dbraw/zinc/75/92/70/1373759270.db2.gz WODDERAFBSWLSS-QGZVFWFLSA-N 0 0 334.416 3.482 10 5 EGBERN C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC001131849008 1373837541 /nfs/dbraw/zinc/83/75/41/1373837541.db2.gz BHGZIUBZSGOCNU-SSDOTTSWSA-N 0 0 343.767 3.264 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cnc(Cl)c(F)c2)c1 ZINC001188626804 1388346952 /nfs/dbraw/zinc/34/69/52/1388346952.db2.gz CLSMCQOCONZGDZ-UHFFFAOYSA-N 0 0 340.694 3.148 10 5 EGBERN C[C@H](C(=O)Oc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1F ZINC001131891185 1375030228 /nfs/dbraw/zinc/03/02/28/1375030228.db2.gz JSQRHOYBYWBSHU-JTQLQIEISA-N 0 0 331.299 3.378 10 5 EGBERN CN(C)c1cncc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001132002183 1375092129 /nfs/dbraw/zinc/09/21/29/1375092129.db2.gz MWBQIISAKVOOSF-UHFFFAOYSA-N 0 0 348.790 3.281 10 5 EGBERN Cc1cc(-c2nnn(Cc3ccc(C)c([N+](=O)[O-])c3)n2)ccc1F ZINC001188706638 1388364398 /nfs/dbraw/zinc/36/43/98/1388364398.db2.gz BTPGZJFGTAQDJI-UHFFFAOYSA-N 0 0 327.319 3.053 10 5 EGBERN COc1cnc(F)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001132328688 1375307773 /nfs/dbraw/zinc/30/77/73/1375307773.db2.gz HSRRVSDMQJDMLG-QMMMGPOBSA-N 0 0 337.282 3.019 10 5 EGBERN Cc1cc(OCc2c(Br)cccc2[N+](=O)[O-])nnc1C ZINC001188771691 1388374347 /nfs/dbraw/zinc/37/43/47/1388374347.db2.gz SWVVGCUNXUWLEQ-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC001132747292 1375543516 /nfs/dbraw/zinc/54/35/16/1375543516.db2.gz IWUGRPLFBIFIAP-VIFPVBQESA-N 0 0 347.396 3.437 10 5 EGBERN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnc1C ZINC001132887386 1375625141 /nfs/dbraw/zinc/62/51/41/1375625141.db2.gz CQXNWXGFGACVTQ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC1(C)CO[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC001133413133 1375994989 /nfs/dbraw/zinc/99/49/89/1375994989.db2.gz XDJAJULLCQUYHT-LBPRGKRZSA-N 0 0 334.397 3.354 10 5 EGBERN COc1ccc(F)cc1C(=O)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001189035567 1388442748 /nfs/dbraw/zinc/44/27/48/1388442748.db2.gz ZQYFNTNNZXOLOF-UHFFFAOYSA-N 0 0 334.303 3.016 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001134684757 1376657559 /nfs/dbraw/zinc/65/75/59/1376657559.db2.gz HBNMJSXZRPXPFU-UXBLZVDNSA-N 0 0 327.340 3.213 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOC12CCCCC2 ZINC001134715497 1376675909 /nfs/dbraw/zinc/67/59/09/1376675909.db2.gz BWUFOMGPVZSCMF-CXOKCQFOSA-N 0 0 330.384 3.216 10 5 EGBERN Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001134960549 1376813090 /nfs/dbraw/zinc/81/30/90/1376813090.db2.gz YXCZJTGTYFHGRI-DAXSKMNVSA-N 0 0 327.296 3.463 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cncc(Cl)n1 ZINC001135225860 1376987620 /nfs/dbraw/zinc/98/76/20/1376987620.db2.gz HUIMPGOVDNGAOZ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN CC(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001135304233 1377028204 /nfs/dbraw/zinc/02/82/04/1377028204.db2.gz BQFNDMWREHOLHO-ZROIWOOFSA-N 0 0 345.380 3.080 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001135504503 1377121791 /nfs/dbraw/zinc/12/17/91/1377121791.db2.gz NVYNWJHIKPGJIY-AWEZNQCLSA-N 0 0 349.387 3.227 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001135512755 1377123745 /nfs/dbraw/zinc/12/37/45/1377123745.db2.gz LYWJUTIBXWMFBQ-FZMZJTMJSA-N 0 0 328.372 3.293 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2ccccc2n1 ZINC001136248011 1377367891 /nfs/dbraw/zinc/36/78/91/1377367891.db2.gz VFFOJUIQFJFRNP-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1[nH]nc2ncc(NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])cc12 ZINC001136391104 1377387616 /nfs/dbraw/zinc/38/76/16/1377387616.db2.gz HTSOUZBXHWLENI-UHFFFAOYSA-N 0 0 345.746 3.389 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2ccccc2C1 ZINC001136510265 1377400946 /nfs/dbraw/zinc/40/09/46/1377400946.db2.gz SGYNGGBZOUFYQV-UHFFFAOYSA-N 0 0 344.392 3.352 10 5 EGBERN O=C(NCCCc1ccc(Cl)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136537181 1377403425 /nfs/dbraw/zinc/40/34/25/1377403425.db2.gz YHXWKHPWNPTBOL-MRXNPFEDSA-N 0 0 348.786 3.031 10 5 EGBERN CC[C@H]1c2ccccc2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136802448 1377424651 /nfs/dbraw/zinc/42/46/51/1377424651.db2.gz WAODCSAXDXLKSE-NSHDSACASA-N 0 0 334.763 3.121 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)c1ccccc1Cl ZINC001137391069 1377538295 /nfs/dbraw/zinc/53/82/95/1377538295.db2.gz HGAMZDJBYAHIFO-OAHLLOKOSA-N 0 0 348.786 3.328 10 5 EGBERN CCC(C)(C)CC(=O)N(C)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001269794552 1377572748 /nfs/dbraw/zinc/57/27/48/1377572748.db2.gz RZLOIPHPDKZICP-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN O=C(NCCc1ccsc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001137629009 1377575727 /nfs/dbraw/zinc/57/57/27/1377575727.db2.gz UJEJTZNLACALTL-UHFFFAOYSA-N 0 0 328.752 3.421 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)n[nH]1 ZINC001137716873 1377604888 /nfs/dbraw/zinc/60/48/88/1377604888.db2.gz VMXSHDREUSRJRH-UHFFFAOYSA-N 0 0 348.668 3.171 10 5 EGBERN CCc1nnc([C@H](C)OC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001327475884 1388530198 /nfs/dbraw/zinc/53/01/98/1388530198.db2.gz KZBNNXCDYBLKQC-QMMMGPOBSA-N 0 0 338.751 3.155 10 5 EGBERN O=C(NCC1CSC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001140743199 1378128553 /nfs/dbraw/zinc/12/85/53/1378128553.db2.gz AVOAPWZOHNYCCQ-UHFFFAOYSA-N 0 0 344.392 3.480 10 5 EGBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001275634212 1378148846 /nfs/dbraw/zinc/14/88/46/1378148846.db2.gz BHBGBQTUPXEFRI-LLVKDONJSA-N 0 0 328.324 3.124 10 5 EGBERN O=C(Oc1cccc2c1CCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001277202751 1378208359 /nfs/dbraw/zinc/20/83/59/1378208359.db2.gz MFWQJLHVIBYQIS-UHFFFAOYSA-N 0 0 341.319 3.074 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1nccn1C(C)C ZINC001141184205 1378261005 /nfs/dbraw/zinc/26/10/05/1378261005.db2.gz OTABXTCVWSNRDJ-UHFFFAOYSA-N 0 0 331.376 3.445 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3nc(F)ccc32)c1 ZINC001279195989 1378301187 /nfs/dbraw/zinc/30/11/87/1378301187.db2.gz IVMLNXRIQDKJSN-UHFFFAOYSA-N 0 0 333.344 3.054 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)cc1[N+](=O)[O-] ZINC001141649880 1378357664 /nfs/dbraw/zinc/35/76/64/1378357664.db2.gz ZQKWVPMTUQZSSI-UHFFFAOYSA-N 0 0 344.323 3.154 10 5 EGBERN Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc(F)c1F ZINC001142080738 1378411648 /nfs/dbraw/zinc/41/16/48/1378411648.db2.gz JZRJUSKLKCERQW-UHFFFAOYSA-N 0 0 325.246 3.155 10 5 EGBERN CC(C)(C)n1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001142817465 1378491001 /nfs/dbraw/zinc/49/10/01/1378491001.db2.gz SFXUDOVCXRUICP-UHFFFAOYSA-N 0 0 337.767 3.034 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc(-c2cccs2)[nH]n1 ZINC001142853796 1378495848 /nfs/dbraw/zinc/49/58/48/1378495848.db2.gz NYNHJPDZAKDTBV-UHFFFAOYSA-N 0 0 346.343 3.367 10 5 EGBERN Nc1c(C(=O)N2CCc3sc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC001143195934 1378556908 /nfs/dbraw/zinc/55/69/08/1378556908.db2.gz QGEFJWKFUGLRGH-UHFFFAOYSA-N 0 0 337.788 3.090 10 5 EGBERN Cc1c[nH]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)n1 ZINC001143949407 1378663140 /nfs/dbraw/zinc/66/31/40/1378663140.db2.gz LCYQMGQVMBTNOK-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN Cc1cnc(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC001144006058 1378671232 /nfs/dbraw/zinc/67/12/32/1378671232.db2.gz JRDSXAJXBJJCEJ-UHFFFAOYSA-N 0 0 347.802 3.161 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2[nH]c(C(F)F)nc21 ZINC001146934004 1378944956 /nfs/dbraw/zinc/94/49/56/1378944956.db2.gz KAAQTYXKGZTTGD-UHFFFAOYSA-N 0 0 346.293 3.339 10 5 EGBERN O=c1[nH]cnc2cc(N[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)c([N+](=O)[O-])cc12 ZINC001327714508 1388589527 /nfs/dbraw/zinc/58/95/27/1388589527.db2.gz NPWHEOAMUAEQGO-FKTZTGRPSA-N 0 0 336.298 3.089 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn([C@H]2CCCCO2)c1 ZINC001149138260 1379331447 /nfs/dbraw/zinc/33/14/47/1379331447.db2.gz PTTPFZODIGCHDP-OAHLLOKOSA-N 0 0 348.334 3.190 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001151125033 1379663839 /nfs/dbraw/zinc/66/38/39/1379663839.db2.gz LOBPONOHZFVVDM-UXEPBGEESA-N 0 0 342.399 3.251 10 5 EGBERN CCCC(=CC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC ZINC001151259807 1379690323 /nfs/dbraw/zinc/69/03/23/1379690323.db2.gz BTTZAJWSKIOUMA-UHFFFAOYSA-N 0 0 348.399 3.429 10 5 EGBERN CC(C)(C)Oc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001151803255 1379784584 /nfs/dbraw/zinc/78/45/84/1379784584.db2.gz GECCQHRSNJFXMH-UHFFFAOYSA-N 0 0 330.344 3.002 10 5 EGBERN C[C@@H](CC(=O)c1cccs1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001151977457 1379829110 /nfs/dbraw/zinc/82/91/10/1379829110.db2.gz KDVWQOGDTDPMGY-VIFPVBQESA-N 0 0 336.344 3.187 10 5 EGBERN CCSc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001153397937 1380070415 /nfs/dbraw/zinc/07/04/15/1380070415.db2.gz QNVFYLQZOIGVEO-UHFFFAOYSA-N 0 0 345.424 3.435 10 5 EGBERN Cc1c(CNC(=O)C2CC(O)(CCC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001154300839 1380251055 /nfs/dbraw/zinc/25/10/55/1380251055.db2.gz CXISGNVMZZREHS-UHFFFAOYSA-N 0 0 348.443 3.487 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001328105957 1388675644 /nfs/dbraw/zinc/67/56/44/1388675644.db2.gz QWTHGUAOTIAINP-UHFFFAOYSA-N 0 0 341.371 3.496 10 5 EGBERN Cc1ccc(NC(=O)CCCOc2ccccc2F)c(N)c1[N+](=O)[O-] ZINC001158223055 1381164345 /nfs/dbraw/zinc/16/43/45/1381164345.db2.gz BECMMLYAXLOJRW-UHFFFAOYSA-N 0 0 347.346 3.422 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(C)c(C)cc21 ZINC001328271392 1388707781 /nfs/dbraw/zinc/70/77/81/1388707781.db2.gz DFTDFNRJOLNOIE-UHFFFAOYSA-N 0 0 325.368 3.456 10 5 EGBERN Cc1sccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001287722387 1381366341 /nfs/dbraw/zinc/36/63/41/1381366341.db2.gz ALECKNWUBLOOLX-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1cc(OCC(=O)Nc2cncc(C(F)F)c2)ccc1[N+](=O)[O-] ZINC001288115117 1381567433 /nfs/dbraw/zinc/56/74/33/1381567433.db2.gz LRWUSOKPWCJNLB-UHFFFAOYSA-N 0 0 337.282 3.253 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](C2CCC2)CC1 ZINC001288165303 1381611775 /nfs/dbraw/zinc/61/17/75/1381611775.db2.gz MZFFMOZUWPYGML-CYBMUJFWSA-N 0 0 346.383 3.366 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CCC2)CC1 ZINC001288166184 1381615508 /nfs/dbraw/zinc/61/55/08/1381615508.db2.gz VBKJJHQCRCZNKF-HNNXBMFYSA-N 0 0 332.400 3.402 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2cccc(C)c2o1 ZINC001288212258 1381728599 /nfs/dbraw/zinc/72/85/99/1381728599.db2.gz JZIPMGJFOUPOFF-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccsn1 ZINC001288214072 1381728942 /nfs/dbraw/zinc/72/89/42/1381728942.db2.gz ZSBCMEROSHPKPP-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CN(C)c1ccc(F)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001288559970 1381885288 /nfs/dbraw/zinc/88/52/88/1381885288.db2.gz TZYQSPRLNCLCKE-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2ccccc2[N+](=O)[O-])o1 ZINC001288628185 1381900029 /nfs/dbraw/zinc/90/00/29/1381900029.db2.gz ZAVAQDVJEUNOIQ-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN CCc1cc(C(=O)OC)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001288999093 1381970835 /nfs/dbraw/zinc/97/08/35/1381970835.db2.gz FAHPXAFTTCQFAZ-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCC3=O)c1C ZINC001289906330 1382019674 /nfs/dbraw/zinc/01/96/74/1382019674.db2.gz XYKOMKVAWOYCDJ-UHFFFAOYSA-N 0 0 345.380 3.439 10 5 EGBERN Cc1cnccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001293051532 1382251438 /nfs/dbraw/zinc/25/14/38/1382251438.db2.gz KEIUEJRHCWVIQH-UHFFFAOYSA-N 0 0 334.335 3.034 10 5 EGBERN CN(C)Cc1csc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC001161060002 1382285525 /nfs/dbraw/zinc/28/55/25/1382285525.db2.gz YPUWAIXKLJCKDR-UHFFFAOYSA-N 0 0 340.792 3.019 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001328572131 1388777405 /nfs/dbraw/zinc/77/74/05/1388777405.db2.gz JWGPJYWHRGEVMM-DVVUODLYSA-N 0 0 341.314 3.012 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2N)cc1[N+](=O)[O-] ZINC001294093881 1382416947 /nfs/dbraw/zinc/41/69/47/1382416947.db2.gz DOZHRLKVRBPDBC-SECBINFHSA-N 0 0 335.310 3.255 10 5 EGBERN Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1O ZINC001294758811 1382493649 /nfs/dbraw/zinc/49/36/49/1382493649.db2.gz UAYMOEOVFASWLA-UHFFFAOYSA-N 0 0 344.323 3.022 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1 ZINC001162431318 1382757604 /nfs/dbraw/zinc/75/76/04/1382757604.db2.gz VNQAAZWQCSMQLV-UHFFFAOYSA-N 0 0 331.347 3.223 10 5 EGBERN O=C1CCCCN1CCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001162459592 1382762655 /nfs/dbraw/zinc/76/26/55/1382762655.db2.gz DMHBJSDNIQEKDD-UHFFFAOYSA-N 0 0 345.321 3.428 10 5 EGBERN COc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001295831755 1382840155 /nfs/dbraw/zinc/84/01/55/1382840155.db2.gz BGRIWKJWNYJJNV-ZIAGYGMSSA-N 0 0 328.324 3.051 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CNc3nc4cccc(F)c4o3)nc2c1 ZINC001163173741 1382984240 /nfs/dbraw/zinc/98/42/40/1382984240.db2.gz TYVWDAPFSQLXOB-UHFFFAOYSA-N 0 0 327.275 3.364 10 5 EGBERN COc1ccc(Cl)cc1[C@H](O)CNc1ncc([N+](=O)[O-])cc1C ZINC001163294846 1383014783 /nfs/dbraw/zinc/01/47/83/1383014783.db2.gz RJKKHVVLEABHPK-CYBMUJFWSA-N 0 0 337.763 3.106 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1(Nc2ccccc2)CC1 ZINC001163354887 1383029402 /nfs/dbraw/zinc/02/94/02/1383029402.db2.gz NVYYXERXJCJNHF-UHFFFAOYSA-N 0 0 347.321 3.134 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1COc3ccccc31)CCCC2 ZINC001163432822 1383050842 /nfs/dbraw/zinc/05/08/42/1383050842.db2.gz UCPOAAFCFRBPES-CYBMUJFWSA-N 0 0 325.368 3.457 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3Cn3ccnc3)nc2c1 ZINC001163437801 1383052299 /nfs/dbraw/zinc/05/22/99/1383052299.db2.gz XWMSFTGSSYRBKU-UHFFFAOYSA-N 0 0 348.366 3.328 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc(C=O)cc1 ZINC001296878651 1383081220 /nfs/dbraw/zinc/08/12/20/1383081220.db2.gz YMPADHUVOWUHKW-MDZDMXLPSA-N 0 0 338.363 3.122 10 5 EGBERN CC(=O)N(C)c1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC001163745016 1383117425 /nfs/dbraw/zinc/11/74/25/1383117425.db2.gz RNFLCGSDYRXXKK-UHFFFAOYSA-N 0 0 344.327 3.098 10 5 EGBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2N)cnn1C1CCCC1 ZINC001297150707 1383122911 /nfs/dbraw/zinc/12/29/11/1383122911.db2.gz PVXZFERVBOJXGC-UHFFFAOYSA-N 0 0 329.360 3.049 10 5 EGBERN O=Cc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c(Cl)s1 ZINC001297273649 1383136100 /nfs/dbraw/zinc/13/61/00/1383136100.db2.gz MSYXWXQAUBTKFC-UHFFFAOYSA-N 0 0 338.772 3.095 10 5 EGBERN CN(Cc1cn[nH]c1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164094530 1383155520 /nfs/dbraw/zinc/15/55/20/1383155520.db2.gz ZFQMSRPVZDTLML-UHFFFAOYSA-N 0 0 327.319 3.155 10 5 EGBERN COc1ccc2ccccc2c1CCNc1c([N+](=O)[O-])cnn1C ZINC001164102529 1383156713 /nfs/dbraw/zinc/15/67/13/1383156713.db2.gz BHCXGROPBOJTLI-UHFFFAOYSA-N 0 0 326.356 3.145 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001164125353 1383158806 /nfs/dbraw/zinc/15/88/06/1383158806.db2.gz VZLSAWOHGYUFGT-VGPLMAKISA-N 0 0 336.413 3.468 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001164200520 1383165430 /nfs/dbraw/zinc/16/54/30/1383165430.db2.gz CDCVACQKICYVCM-XFHMXUHZSA-N 0 0 343.339 3.008 10 5 EGBERN CN(CC(=O)NCCC1=CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001164205582 1383166064 /nfs/dbraw/zinc/16/60/64/1383166064.db2.gz BVACTWPYGZFZCA-UHFFFAOYSA-N 0 0 335.379 3.177 10 5 EGBERN C[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001164254440 1383171982 /nfs/dbraw/zinc/17/19/82/1383171982.db2.gz AMDBNTRTHRIDKX-JTQLQIEISA-N 0 0 336.189 3.390 10 5 EGBERN COC(=O)Cc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001164261515 1383172383 /nfs/dbraw/zinc/17/23/83/1383172383.db2.gz SZIFRFYHAXGINJ-QCUYGVNKSA-N 0 0 344.411 3.183 10 5 EGBERN CCOC(=O)[C@H]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001164265204 1383172812 /nfs/dbraw/zinc/17/28/12/1383172812.db2.gz PRBWSLQSOOXHIH-JTQLQIEISA-N 0 0 349.774 3.186 10 5 EGBERN Cc1ccc(N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c([N+](=O)[O-])c1 ZINC001164333092 1383178141 /nfs/dbraw/zinc/17/81/41/1383178141.db2.gz SAPTWVBXWDTGHN-UHFFFAOYSA-N 0 0 343.314 3.320 10 5 EGBERN Cc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])sc1C=O ZINC001297647220 1383206274 /nfs/dbraw/zinc/20/62/74/1383206274.db2.gz RVRRTVZDHSWDLS-UHFFFAOYSA-N 0 0 332.381 3.092 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc3c[nH]nc3c2)c1C ZINC001297770770 1383239496 /nfs/dbraw/zinc/23/94/96/1383239496.db2.gz BGXILZFVPVJOHA-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN Cc1ccc2oc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2c1 ZINC001166884846 1383494233 /nfs/dbraw/zinc/49/42/33/1383494233.db2.gz INKSZZXOVVBVJG-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN[C@H](c2ccccc2)C1 ZINC001299398732 1383525624 /nfs/dbraw/zinc/52/56/24/1383525624.db2.gz NPOVCPBYDGDHCG-AWEZNQCLSA-N 0 0 345.786 3.035 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001299551453 1383565744 /nfs/dbraw/zinc/56/57/44/1383565744.db2.gz SVNAFDXKEAUPQH-UHFFFAOYSA-N 0 0 327.384 3.237 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C=O)cc1 ZINC001299861916 1383632888 /nfs/dbraw/zinc/63/28/88/1383632888.db2.gz BZNNUXFSIXSAMI-RMKNXTFCSA-N 0 0 325.324 3.101 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc(C)c(SC)c2)c1[N+](=O)[O-] ZINC001300208454 1383652956 /nfs/dbraw/zinc/65/29/56/1383652956.db2.gz IYWVAXUILCZOHM-UHFFFAOYSA-N 0 0 332.385 3.314 10 5 EGBERN CC(C)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC001300455974 1383666377 /nfs/dbraw/zinc/66/63/77/1383666377.db2.gz KHRLDAIEMDBERG-LLVKDONJSA-N 0 0 340.742 3.238 10 5 EGBERN C[C@H]1CC(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001300540060 1383669684 /nfs/dbraw/zinc/66/96/84/1383669684.db2.gz IUGKDGVUONNNEJ-NXEZZACHSA-N 0 0 348.428 3.402 10 5 EGBERN CSc1cc(Cl)ccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001300644993 1383675716 /nfs/dbraw/zinc/67/57/16/1383675716.db2.gz OGTIOJQNADFPKG-UHFFFAOYSA-N 0 0 326.765 3.254 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCc2ccccc2CC1 ZINC001301396441 1383712789 /nfs/dbraw/zinc/71/27/89/1383712789.db2.gz ZAWBZWCLJLHPHS-UHFFFAOYSA-N 0 0 339.395 3.102 10 5 EGBERN Cc1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001302425872 1383753014 /nfs/dbraw/zinc/75/30/14/1383753014.db2.gz TTWXYJJBEZVPPD-KRWDZBQOSA-N 0 0 348.786 3.194 10 5 EGBERN O=C(CCCc1csc2ccccc12)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573308 1383806972 /nfs/dbraw/zinc/80/69/72/1383806972.db2.gz KVLPGEPYZDQIBY-UHFFFAOYSA-N 0 0 330.369 3.494 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cnn(C2CCC2)c1 ZINC001304079770 1383827950 /nfs/dbraw/zinc/82/79/50/1383827950.db2.gz UJRQPQCXKBPRLA-UHFFFAOYSA-N 0 0 334.763 3.351 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1ccc(OC)c(OC)c1 ZINC001306914106 1383919773 /nfs/dbraw/zinc/91/97/73/1383919773.db2.gz LUDCRRKNYXDRQD-UHFFFAOYSA-N 0 0 346.339 3.451 10 5 EGBERN CCOC(=O)Nc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001306932471 1383922484 /nfs/dbraw/zinc/92/24/84/1383922484.db2.gz WNTVTMHKBWAJAL-UHFFFAOYSA-N 0 0 336.735 3.377 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2c(C)noc2C)cc1C ZINC001306960161 1383926351 /nfs/dbraw/zinc/92/63/51/1383926351.db2.gz OKJMNSAZZCKAGQ-UHFFFAOYSA-N 0 0 347.371 3.339 10 5 EGBERN COC(=O)c1ccnc(NCCc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC001306971856 1383927876 /nfs/dbraw/zinc/92/78/76/1383927876.db2.gz AIILORYJPNIONK-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN Cc1nc(NCc2sccc2Br)ncc1[N+](=O)[O-] ZINC001307112903 1383941571 /nfs/dbraw/zinc/94/15/71/1383941571.db2.gz HHXHADLOCNJTJY-UHFFFAOYSA-N 0 0 329.179 3.129 10 5 EGBERN Cc1nn(C)c(Oc2cccc(C=O)c2Br)c1[N+](=O)[O-] ZINC001307138003 1383944435 /nfs/dbraw/zinc/94/44/35/1383944435.db2.gz BRAKJPWGZBOJRU-UHFFFAOYSA-N 0 0 340.133 3.004 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](Oc4ccccc4)C3)c21 ZINC001307151327 1383946019 /nfs/dbraw/zinc/94/60/19/1383946019.db2.gz SSFNIAOKAFVMIP-AWEZNQCLSA-N 0 0 336.351 3.196 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CCC[C@@H](C(F)(F)F)O3)nc2c1 ZINC001307203750 1383955905 /nfs/dbraw/zinc/95/59/05/1383955905.db2.gz IUFORHGYSDDSLE-CABZTGNLSA-N 0 0 344.293 3.383 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001307205853 1383957231 /nfs/dbraw/zinc/95/72/31/1383957231.db2.gz TVVVVZVFLMDUKQ-XCBNKYQSSA-N 0 0 335.238 3.025 10 5 EGBERN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1 ZINC001307229336 1383960976 /nfs/dbraw/zinc/96/09/76/1383960976.db2.gz HVTWOADHMRBXGD-CQSZACIVSA-N 0 0 344.327 3.248 10 5 EGBERN Cc1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)n1 ZINC001307295892 1383967840 /nfs/dbraw/zinc/96/78/40/1383967840.db2.gz QVXUZQNLPYUCRA-UHFFFAOYSA-N 0 0 329.747 3.258 10 5 EGBERN O=[N+]([O-])c1cc(Cn2nnnc2/C=C\c2ccccc2)ccc1Cl ZINC001307318638 1383971034 /nfs/dbraw/zinc/97/10/34/1383971034.db2.gz OPWWUXXRXVCMLN-CLFYSBASSA-N 0 0 341.758 3.453 10 5 EGBERN CO[C@H](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC001307372607 1383978691 /nfs/dbraw/zinc/97/86/91/1383978691.db2.gz VDCCYFLYRZTGOB-MRXNPFEDSA-N 0 0 342.330 3.380 10 5 EGBERN CCCCCNC(=O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307405104 1383983995 /nfs/dbraw/zinc/98/39/95/1383983995.db2.gz LFFUPVYQMQBAJI-UHFFFAOYSA-N 0 0 334.294 3.299 10 5 EGBERN Cc1ccc(C(=O)COc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC001307407077 1383984616 /nfs/dbraw/zinc/98/46/16/1383984616.db2.gz GLNRSNSJCUUQQQ-UHFFFAOYSA-N 0 0 343.335 3.245 10 5 EGBERN C[C@H](NCc1cccnc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC001307663381 1384009334 /nfs/dbraw/zinc/00/93/34/1384009334.db2.gz ILSFJSFGYYEQNM-JTQLQIEISA-N 0 0 343.318 3.030 10 5 EGBERN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2cccc(F)c2O1 ZINC001307696699 1384015644 /nfs/dbraw/zinc/01/56/44/1384015644.db2.gz AAFNBERXKOKCSZ-LBPRGKRZSA-N 0 0 332.331 3.400 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001169024092 1384092407 /nfs/dbraw/zinc/09/24/07/1384092407.db2.gz KFYYKUKUKPRIFA-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@]2(CO)c2ccccc2)c(F)c1 ZINC001308161420 1384103309 /nfs/dbraw/zinc/10/33/09/1384103309.db2.gz SJXQHNQELBHHJV-SFHVURJKSA-N 0 0 330.359 3.218 10 5 EGBERN CC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC001310592611 1384231134 /nfs/dbraw/zinc/23/11/34/1384231134.db2.gz BZHUJKIBUZONEZ-UHFFFAOYSA-N 0 0 327.340 3.428 10 5 EGBERN CC(C)n1ncc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC001328973460 1388913114 /nfs/dbraw/zinc/91/31/14/1388913114.db2.gz UCRDLPBSVBMDSV-UHFFFAOYSA-N 0 0 334.763 3.182 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001312362748 1384343152 /nfs/dbraw/zinc/34/31/52/1384343152.db2.gz PVLDHCJEZVFMKK-CJNGLKHVSA-N 0 0 347.415 3.229 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC(c3ncccn3)CC2)c(F)c1 ZINC001176295043 1385543405 /nfs/dbraw/zinc/54/34/05/1385543405.db2.gz LZEYQSAUCZKQOV-UHFFFAOYSA-N 0 0 334.326 3.043 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(c2cnc3ccccc3n2)C1 ZINC001176763750 1385688402 /nfs/dbraw/zinc/68/84/02/1385688402.db2.gz JEXPZSBMOTWGBJ-UHFFFAOYSA-N 0 0 348.362 3.086 10 5 EGBERN Cc1nccc2c(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)cccc12 ZINC001177507941 1385981864 /nfs/dbraw/zinc/98/18/64/1385981864.db2.gz VVLDMKZNHGNPCA-QGZVFWFLSA-N 0 0 337.335 3.124 10 5 EGBERN C[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001177676295 1386021043 /nfs/dbraw/zinc/02/10/43/1386021043.db2.gz PHRIEXAHRJEGJQ-NSHDSACASA-N 0 0 332.404 3.202 10 5 EGBERN Cc1ccccc1-c1nc(CN2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001319675243 1386247104 /nfs/dbraw/zinc/24/71/04/1386247104.db2.gz ZUZSYMSJWVAUJJ-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN Cc1ccc(NC(=O)c2cc(C=O)sc2Cl)c(N)c1[N+](=O)[O-] ZINC001179879715 1386615786 /nfs/dbraw/zinc/61/57/86/1386615786.db2.gz QQSMEPIPWWSKJL-UHFFFAOYSA-N 0 0 339.760 3.265 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001180043111 1386678395 /nfs/dbraw/zinc/67/83/95/1386678395.db2.gz CQIVRMIEBYIQQR-XHDPSFHLSA-N 0 0 340.832 3.002 10 5 EGBERN O=C(Nc1ccnn1C1CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001180063808 1386684674 /nfs/dbraw/zinc/68/46/74/1386684674.db2.gz OFYVNUFBPKCWFF-UHFFFAOYSA-N 0 0 325.328 3.250 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329208619 1389023209 /nfs/dbraw/zinc/02/32/09/1389023209.db2.gz GUKXZKKPQIPMKI-OAHLLOKOSA-N 0 0 329.400 3.243 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001329591175 1389170011 /nfs/dbraw/zinc/17/00/11/1389170011.db2.gz ZGGBOBCBGBVSAD-FAAHXZRKSA-N 0 0 348.353 3.051 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001330556786 1389454579 /nfs/dbraw/zinc/45/45/79/1389454579.db2.gz BZBWULRVIJCHCQ-OLZOCXBDSA-N 0 0 349.431 3.021 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)C(C)C ZINC001330572784 1389458960 /nfs/dbraw/zinc/45/89/60/1389458960.db2.gz VYEJCTGTGFXJKU-VIFPVBQESA-N 0 0 341.795 3.229 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC001330677582 1389494191 /nfs/dbraw/zinc/49/41/91/1389494191.db2.gz DNYMKOZTZCVXFQ-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])cs1 ZINC001330885724 1389554204 /nfs/dbraw/zinc/55/42/04/1389554204.db2.gz JRWLRAPOXFKRRT-LLVKDONJSA-N 0 0 343.449 3.035 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001330889400 1389555532 /nfs/dbraw/zinc/55/55/32/1389555532.db2.gz WSAAVIJMBCPUAB-HOCLYGCPSA-N 0 0 332.400 3.004 10 5 EGBERN CC1(C)CC(=O)CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001331327482 1389704093 /nfs/dbraw/zinc/70/40/93/1389704093.db2.gz WGHHQMWKUUJTPN-UHFFFAOYSA-N 0 0 348.790 3.387 10 5 EGBERN Cn1cc(CSCc2ncccc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC001332437503 1390117726 /nfs/dbraw/zinc/11/77/26/1390117726.db2.gz LDLIBYMIVDBCTO-UHFFFAOYSA-N 0 0 332.307 3.176 10 5 EGBERN Cc1cc(N2C[C@@H](C)OCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339935445 1390193293 /nfs/dbraw/zinc/19/32/93/1390193293.db2.gz CONKBBSCZVXYJR-ZIAGYGMSSA-N 0 0 342.399 3.364 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nnc(C2CC3(CC3(F)F)C2)o1 ZINC001333090328 1390247777 /nfs/dbraw/zinc/24/77/77/1390247777.db2.gz HJHLLFFCWXQHGI-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001333800999 1390406727 /nfs/dbraw/zinc/40/67/27/1390406727.db2.gz USFKTWFKCRACRR-DVVUODLYSA-N 0 0 341.314 3.159 10 5 EGBERN COc1cc(C)c(NCc2cn(C)nc2[N+](=O)[O-])cc1C(F)(F)F ZINC001334015559 1390461576 /nfs/dbraw/zinc/46/15/76/1390461576.db2.gz HHJNKYKVXCKKSF-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2cncc(C(F)(F)F)c2)c1 ZINC001343614326 1390726555 /nfs/dbraw/zinc/72/65/55/1390726555.db2.gz FOFVKEBRDDLPOJ-UHFFFAOYSA-N 0 0 332.307 3.139 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC1CCC(O)CC1 ZINC001343865928 1390740955 /nfs/dbraw/zinc/74/09/55/1390740955.db2.gz RATLSGPQNWNGGB-ISXOHVOVSA-N 0 0 335.400 3.258 10 5 EGBERN O=C(O[C@H]1C[C@@H](OCC(F)F)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001344210950 1390771771 /nfs/dbraw/zinc/77/17/71/1390771771.db2.gz YUQCCGCSPGZGHA-XJFOESAGSA-N 0 0 341.310 3.054 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001344401039 1390789061 /nfs/dbraw/zinc/78/90/61/1390789061.db2.gz ACFCLHWDEWKPTR-CYBMUJFWSA-N 0 0 348.380 3.213 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1coc(C(C)(C)C)n1 ZINC001344426904 1390790725 /nfs/dbraw/zinc/79/07/25/1390790725.db2.gz RBADMRISJMFBHK-UHFFFAOYSA-N 0 0 333.344 3.279 10 5 EGBERN CCOc1ccc(C(=O)OC[C@@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001344850041 1390819064 /nfs/dbraw/zinc/81/90/64/1390819064.db2.gz BKVVAFGWBNGGTI-WBVHZDCISA-N 0 0 335.356 3.110 10 5 EGBERN CCOC[C@@H]1CCCCN1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001345094902 1390836697 /nfs/dbraw/zinc/83/66/97/1390836697.db2.gz BNFJUHXJEKYABX-LBPRGKRZSA-N 0 0 337.376 3.026 10 5 EGBERN C[C@@H](C(=O)OCc1[nH]cnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001345227053 1390850123 /nfs/dbraw/zinc/85/01/23/1390850123.db2.gz YWVACWRXCOFOQW-MRVPVSSYSA-N 0 0 343.261 3.184 10 5 EGBERN C[C@H]([C@@H](OC(=O)c1ccnn1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC001345232399 1390850382 /nfs/dbraw/zinc/85/03/82/1390850382.db2.gz CNSMXKKJKZIFRO-BDJLRTHQSA-N 0 0 347.346 3.311 10 5 EGBERN CO[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345938911 1390895340 /nfs/dbraw/zinc/89/53/40/1390895340.db2.gz JFVCSYSDJXBIJT-TXEJJXNPSA-N 0 0 329.356 3.295 10 5 EGBERN COc1c(C(=O)OCCCc2scnc2C)cccc1[N+](=O)[O-] ZINC001346021330 1390901304 /nfs/dbraw/zinc/90/13/04/1390901304.db2.gz ZTGHDJIIQIUEJX-UHFFFAOYSA-N 0 0 336.369 3.158 10 5 EGBERN O=C(OC[C@@H]1CCO1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001346034591 1390902128 /nfs/dbraw/zinc/90/21/28/1390902128.db2.gz HEAVTDZAINNWAE-HNNXBMFYSA-N 0 0 343.335 3.120 10 5 EGBERN C[C@@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001346199750 1390914661 /nfs/dbraw/zinc/91/46/61/1390914661.db2.gz DFPHYLXUSCUTFJ-KDOFPFPSSA-N 0 0 342.395 3.328 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[C@]12CCOC2 ZINC001346630257 1390964118 /nfs/dbraw/zinc/96/41/18/1390964118.db2.gz HFQHXBMGJJZQCT-QGZVFWFLSA-N 0 0 327.340 3.145 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCO1 ZINC001346630501 1390964121 /nfs/dbraw/zinc/96/41/21/1390964121.db2.gz LSTURKZJHOQQBN-GFCCVEGCSA-N 0 0 329.356 3.391 10 5 EGBERN CCCCSCCC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001346707806 1390972370 /nfs/dbraw/zinc/97/23/70/1390972370.db2.gz VIDCVFQTWMJXEL-UHFFFAOYSA-N 0 0 341.385 3.195 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccsc1 ZINC001347534526 1391088747 /nfs/dbraw/zinc/08/87/47/1391088747.db2.gz ISBWSEFQOQQAHG-UHFFFAOYSA-N 0 0 336.388 3.477 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H]1OCc2ccccc21 ZINC001348476615 1391225974 /nfs/dbraw/zinc/22/59/74/1391225974.db2.gz KZYNYFYODCNFNZ-HNNXBMFYSA-N 0 0 329.308 3.170 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnc(C(C)C)nc1C ZINC001349028316 1391297272 /nfs/dbraw/zinc/29/72/72/1391297272.db2.gz DSXZONXHGSBPDG-UHFFFAOYSA-N 0 0 331.328 3.044 10 5 EGBERN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349071157 1391300788 /nfs/dbraw/zinc/30/07/88/1391300788.db2.gz CTTXCKGXZVEHHJ-HNAYVOBHSA-N 0 0 345.443 3.460 10 5 EGBERN COCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001349100094 1391302294 /nfs/dbraw/zinc/30/22/94/1391302294.db2.gz WRTRFNYZDYDPDZ-OAHLLOKOSA-N 0 0 349.774 3.151 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(C)cc(Br)c1F ZINC001349805400 1391369207 /nfs/dbraw/zinc/36/92/07/1391369207.db2.gz ITCBRAGXDFNRPN-QMMMGPOBSA-N 0 0 334.141 3.109 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC001349884128 1391380922 /nfs/dbraw/zinc/38/09/22/1391380922.db2.gz SFUYFLOXSODFBW-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN CC(C)CCC[C@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350054850 1391403753 /nfs/dbraw/zinc/40/37/53/1391403753.db2.gz XZICRWVRASRLMN-SUMWQHHRSA-N 0 0 347.415 3.419 10 5 EGBERN COc1ccc(NC(=O)c2ccc3ccn(C)c3c2)c([N+](=O)[O-])c1 ZINC001350450628 1391466404 /nfs/dbraw/zinc/46/64/04/1391466404.db2.gz FVMPQRWQQDHRPC-UHFFFAOYSA-N 0 0 325.324 3.347 10 5 EGBERN CN(C)c1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001350486795 1391470209 /nfs/dbraw/zinc/47/02/09/1391470209.db2.gz KKPHDLZGXIWDCT-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ccc(C3OCCO3)cc2)c([N+](=O)[O-])c1 ZINC001350575237 1391483100 /nfs/dbraw/zinc/48/31/00/1391483100.db2.gz CGICXYBHFUMPOX-UHFFFAOYSA-N 0 0 343.335 3.476 10 5 EGBERN O=C(COCc1cccc(Cl)c1)NCc1ccccc1[N+](=O)[O-] ZINC001350629846 1391494222 /nfs/dbraw/zinc/49/42/22/1391494222.db2.gz ZPWGEMVMNPHLOU-UHFFFAOYSA-N 0 0 334.759 3.081 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001350983616 1391573212 /nfs/dbraw/zinc/57/32/12/1391573212.db2.gz XVESOQQKNQPUHE-UHFFFAOYSA-N 0 0 333.271 3.048 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC001351295260 1391622884 /nfs/dbraw/zinc/62/28/84/1391622884.db2.gz DDXQDPHPFRDTDJ-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC001351311007 1391624677 /nfs/dbraw/zinc/62/46/77/1391624677.db2.gz IOHNQTPCCORXJL-JTQLQIEISA-N 0 0 343.314 3.189 10 5 EGBERN Cc1nn(CC(F)F)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001351327448 1391627540 /nfs/dbraw/zinc/62/75/40/1391627540.db2.gz JUVZTXISSDDYCB-UHFFFAOYSA-N 0 0 344.705 3.271 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)cn1 ZINC001351380213 1391634100 /nfs/dbraw/zinc/63/41/00/1391634100.db2.gz TZDMQDWUQKIXKG-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN Cc1cc(C(N)=O)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001351923894 1391718313 /nfs/dbraw/zinc/71/83/13/1391718313.db2.gz HMMPDBCYXLFKLU-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC001352039863 1391749662 /nfs/dbraw/zinc/74/96/62/1391749662.db2.gz NLVWDFMTVWKAEQ-FNORWQNLSA-N 0 0 345.307 3.210 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC001352095112 1391758096 /nfs/dbraw/zinc/75/80/96/1391758096.db2.gz IILSHCFPMPKKOG-CYBMUJFWSA-N 0 0 346.408 3.044 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001352603959 1391820825 /nfs/dbraw/zinc/82/08/25/1391820825.db2.gz BCHFUIBOFDRDKA-UHFFFAOYSA-N 0 0 344.307 3.046 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccnn1CCc1ccccc1 ZINC001352661463 1391829920 /nfs/dbraw/zinc/82/99/20/1391829920.db2.gz RARJZUOKLJCGTR-UHFFFAOYSA-N 0 0 336.351 3.286 10 5 EGBERN COc1cccc(C(F)(F)C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001352762671 1391844490 /nfs/dbraw/zinc/84/44/90/1391844490.db2.gz HFSMYLBUEHSBJH-UHFFFAOYSA-N 0 0 337.278 3.439 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC001352765005 1391844633 /nfs/dbraw/zinc/84/46/33/1391844633.db2.gz VWRYPTAJYVIJGF-SFHVURJKSA-N 0 0 349.383 3.396 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001353161578 1391947508 /nfs/dbraw/zinc/94/75/08/1391947508.db2.gz JPLQHLDOLWFLJR-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(C(F)(F)F)cs1 ZINC001353243160 1391972171 /nfs/dbraw/zinc/97/21/71/1391972171.db2.gz AUSGIYFTBHBOCM-UHFFFAOYSA-N 0 0 349.265 3.390 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)o1 ZINC001354113700 1392121088 /nfs/dbraw/zinc/12/10/88/1392121088.db2.gz LHICMYXGAMLQHZ-UHFFFAOYSA-N 0 0 344.245 3.059 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1c(F)cccc1-n1cccn1 ZINC001354533357 1392151023 /nfs/dbraw/zinc/15/10/23/1392151023.db2.gz KZEWVPFBSOVAPB-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN CCCCC(=O)N(C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001479884190 1392457129 /nfs/dbraw/zinc/45/71/29/1392457129.db2.gz XKLXIGNQGWJTQH-UHFFFAOYSA-N 0 0 339.461 3.269 10 5 EGBERN CCCC1(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001480902939 1393008690 /nfs/dbraw/zinc/00/86/90/1393008690.db2.gz NRWGBBXYQKQCBJ-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CN(C(=O)CC(C)(C)C1CC1)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001483861276 1395118359 /nfs/dbraw/zinc/11/83/59/1395118359.db2.gz MLVKIPJXSYZXGN-UHFFFAOYSA-N 0 0 345.443 3.064 10 5 EGBERN CC(C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)=C1CCC1 ZINC001691208637 1405149019 /nfs/dbraw/zinc/14/90/19/1405149019.db2.gz DORNWTNEQDWZIW-UHFFFAOYSA-N 0 0 349.456 3.237 10 5 EGBERN CC(C)(C)CC(C)(C)C(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001692266614 1405897384 /nfs/dbraw/zinc/89/73/84/1405897384.db2.gz MKZXGNHDYBKUBI-UHFFFAOYSA-N 0 0 347.459 3.358 10 5 EGBERN CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001732025921 1428244399 /nfs/dbraw/zinc/24/43/99/1428244399.db2.gz YGXSDBPVYDYOAV-IUNVMDDCSA-N 0 0 343.427 3.126 10 5 EGBERN O=C(CC1CCCC1)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001713552571 1418337884 /nfs/dbraw/zinc/33/78/84/1418337884.db2.gz FLHMGSQDUNYJQE-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CCN(CCNC(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577334 1419314668 /nfs/dbraw/zinc/31/46/68/1419314668.db2.gz BLSDGXHQGKALPH-ZHACJKMWSA-N 0 0 333.432 3.135 10 5 EGBERN CCCCn1c(C2CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001728061191 1427134852 /nfs/dbraw/zinc/13/48/52/1427134852.db2.gz SRWUMDNXLVGJQY-UHFFFAOYSA-N 0 0 341.415 3.427 10 5 EGBERN CCC(C)(C)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734631802 1438194047 /nfs/dbraw/zinc/19/40/47/1438194047.db2.gz WLXRSCRGCRHVCF-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC=CCC1 ZINC001770234075 1441411452 /nfs/dbraw/zinc/41/14/52/1441411452.db2.gz IVWHADUPJIYEQY-ZDUSSCGKSA-N 0 0 343.387 3.207 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCSCC1 ZINC000050582986 214059760 /nfs/dbraw/zinc/05/97/60/214059760.db2.gz GTVWOUAOZVCZJQ-UHFFFAOYSA-N 0 0 349.437 3.297 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(C1)CCCCC2 ZINC000174240602 231157052 /nfs/dbraw/zinc/15/70/52/231157052.db2.gz FDFMABQQGNQTOK-UHFFFAOYSA-N 0 0 328.372 3.268 10 5 EGBERN CC[C@H](NC(=O)c1cnn(CC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181282145 529578514 /nfs/dbraw/zinc/57/85/14/529578514.db2.gz PEYXZXADCDVAPA-INIZCTEOSA-N 0 0 330.388 3.328 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000176700933 529605893 /nfs/dbraw/zinc/60/58/93/529605893.db2.gz AQTQDSAJSUIYFG-OAHLLOKOSA-N 0 0 332.360 3.184 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000175463027 231451206 /nfs/dbraw/zinc/45/12/06/231451206.db2.gz TZADREXHSBUITI-ZYHUDNBSSA-N 0 0 326.443 3.465 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178399334 232155832 /nfs/dbraw/zinc/15/58/32/232155832.db2.gz VBUGZOFCKGCLEH-CQSZACIVSA-N 0 0 342.399 3.291 10 5 EGBERN CCCCn1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102639858 219217841 /nfs/dbraw/zinc/21/78/41/219217841.db2.gz SIZYOAIXSDKWOH-UHFFFAOYSA-N 0 0 327.344 3.325 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000340348027 282581052 /nfs/dbraw/zinc/58/10/52/282581052.db2.gz XZUVLIZZQAJXNW-QGZVFWFLSA-N 0 0 340.383 3.283 10 5 EGBERN O=c1c([N+](=O)[O-])c(NCc2ccc3ccccc3c2)nc2ccccn21 ZINC000068996706 215351060 /nfs/dbraw/zinc/35/10/60/215351060.db2.gz HFXRCTFMKBRANU-UHFFFAOYSA-N 0 0 346.346 3.368 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])n1 ZINC000040661120 213365044 /nfs/dbraw/zinc/36/50/44/213365044.db2.gz DTTCHQUJUAFSFM-UHFFFAOYSA-N 0 0 346.297 3.209 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000183775262 235223060 /nfs/dbraw/zinc/22/30/60/235223060.db2.gz CLHOVNNUDUKWTB-VIFPVBQESA-N 0 0 336.417 3.407 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000105858256 219563108 /nfs/dbraw/zinc/56/31/08/219563108.db2.gz WREYJTAUDAFNNI-ZDUSSCGKSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1ccnc1-c1cnccn1 ZINC000069743185 215564708 /nfs/dbraw/zinc/56/47/08/215564708.db2.gz NFBZJRFLOLWNIC-UHFFFAOYSA-N 0 0 339.355 3.084 10 5 EGBERN C[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000037984350 213184194 /nfs/dbraw/zinc/18/41/94/213184194.db2.gz AQIYPPHQSUCNQM-VIFPVBQESA-N 0 0 334.825 3.303 10 5 EGBERN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984360 213184096 /nfs/dbraw/zinc/18/40/96/213184096.db2.gz ZZSMWXFJIBURRL-SNVBAGLBSA-N 0 0 334.825 3.303 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000072203796 216069282 /nfs/dbraw/zinc/06/92/82/216069282.db2.gz GQVYXXWSRRLWHI-RYUDHWBXSA-N 0 0 336.392 3.238 10 5 EGBERN Cc1cnc(COC(=O)C2CCC(F)(F)CC2)c(C)c1[N+](=O)[O-] ZINC000191352455 239061409 /nfs/dbraw/zinc/06/14/09/239061409.db2.gz KIXMQADYLAFGKZ-UHFFFAOYSA-N 0 0 328.315 3.475 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000191411161 239098817 /nfs/dbraw/zinc/09/88/17/239098817.db2.gz INMPOLQTXJCJCM-OAHLLOKOSA-N 0 0 343.383 3.109 10 5 EGBERN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000191778537 239292772 /nfs/dbraw/zinc/29/27/72/239292772.db2.gz UKQIJHFASDUAFX-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000024699355 212433840 /nfs/dbraw/zinc/43/38/40/212433840.db2.gz DUVJFZMVTICTOO-UHFFFAOYSA-N 0 0 342.351 3.246 10 5 EGBERN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000353231071 284016132 /nfs/dbraw/zinc/01/61/32/284016132.db2.gz PQJNQJDUOALUJP-JTQLQIEISA-N 0 0 348.668 3.005 10 5 EGBERN NC(=O)c1c(NCc2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000020850991 212175613 /nfs/dbraw/zinc/17/56/13/212175613.db2.gz KMVBQFFUWSOTCH-UHFFFAOYSA-N 0 0 331.397 3.246 10 5 EGBERN O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000351882380 284041948 /nfs/dbraw/zinc/04/19/48/284041948.db2.gz GDNLOSDXWAIQSV-CQSZACIVSA-N 0 0 340.335 3.131 10 5 EGBERN Cc1c(NC(=O)NCc2noc3ccccc32)cccc1[N+](=O)[O-] ZINC000020516687 212142232 /nfs/dbraw/zinc/14/22/32/212142232.db2.gz HWMZEQDEORFGKC-UHFFFAOYSA-N 0 0 326.312 3.366 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261791063 304145017 /nfs/dbraw/zinc/14/50/17/304145017.db2.gz TYQLHMOWBHRMBI-VQISRLSMSA-N 0 0 338.791 3.466 10 5 EGBERN O=C(N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130652155 284255733 /nfs/dbraw/zinc/25/57/33/284255733.db2.gz JHYMNINKXKEWML-AWEZNQCLSA-N 0 0 335.319 3.007 10 5 EGBERN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000373658324 284261292 /nfs/dbraw/zinc/26/12/92/284261292.db2.gz FOYGEFIMBZNSHI-AULYBMBSSA-N 0 0 331.759 3.319 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087057146 217709841 /nfs/dbraw/zinc/70/98/41/217709841.db2.gz YIVFRAJKLGYNPS-GFCCVEGCSA-N 0 0 328.372 3.334 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](c2cccs2)C1 ZINC000377158404 168991684 /nfs/dbraw/zinc/99/16/84/168991684.db2.gz KWZKQTKJJVUKRS-OAHLLOKOSA-N 0 0 332.381 3.437 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000378387353 169111478 /nfs/dbraw/zinc/11/14/78/169111478.db2.gz DEGKEUXTDUSDEN-IUODEOHRSA-N 0 0 332.381 3.164 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1CC12CCC(CC1)C2 ZINC000408458247 169178227 /nfs/dbraw/zinc/17/82/27/169178227.db2.gz SPLPVDVCIPEWMR-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN C[C@@H](c1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O ZINC000090733621 217951183 /nfs/dbraw/zinc/95/11/83/217951183.db2.gz IEMRMOYBXBZCGZ-SUMWQHHRSA-N 0 0 326.352 3.256 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000095438993 218382439 /nfs/dbraw/zinc/38/24/39/218382439.db2.gz GQINDKDPNMXMEX-ZDUSSCGKSA-N 0 0 325.267 3.309 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000268262962 251774269 /nfs/dbraw/zinc/77/42/69/251774269.db2.gz XXOAOXCTNQQZJG-LBPRGKRZSA-N 0 0 338.410 3.240 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000152982840 224040337 /nfs/dbraw/zinc/04/03/37/224040337.db2.gz XSEGMUJIRMIMKG-KRWDZBQOSA-N 0 0 328.368 3.147 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000355022453 291823857 /nfs/dbraw/zinc/82/38/57/291823857.db2.gz MPHPQHBKJOXPKY-CABCVRRESA-N 0 0 332.400 3.161 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153596043 224127498 /nfs/dbraw/zinc/12/74/98/224127498.db2.gz RSSBLRLQYNFMCV-LBPRGKRZSA-N 0 0 344.415 3.275 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000097596957 219038238 /nfs/dbraw/zinc/03/82/38/219038238.db2.gz LCRLCHBSOVWQDB-SFHVURJKSA-N 0 0 349.431 3.086 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000160326683 533124141 /nfs/dbraw/zinc/12/41/41/533124141.db2.gz WEUDEIOBRDTFQN-ADYCGDDGSA-N 0 0 346.383 3.151 10 5 EGBERN Cc1c(CC(=O)Nc2nc3c(s2)C(=O)CCC3)cccc1[N+](=O)[O-] ZINC000156040709 224524701 /nfs/dbraw/zinc/52/47/01/224524701.db2.gz ZHOOGSQBKMASGV-UHFFFAOYSA-N 0 0 345.380 3.060 10 5 EGBERN COC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000171549331 533459045 /nfs/dbraw/zinc/45/90/45/533459045.db2.gz VJLWQNZFMSVYMY-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000159378310 533581136 /nfs/dbraw/zinc/58/11/36/533581136.db2.gz NELRBEBJYYPQRU-UHFFFAOYSA-N 0 0 344.367 3.410 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000351884911 291991190 /nfs/dbraw/zinc/99/11/90/291991190.db2.gz OVAOITCIYGVKPK-CMPLNLGQSA-N 0 0 326.418 3.021 10 5 EGBERN CC(C)OCCCNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005940028 135673321 /nfs/dbraw/zinc/67/33/21/135673321.db2.gz VCGNNEHBMUHBQU-UHFFFAOYSA-N 0 0 349.431 3.130 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000338097900 141093795 /nfs/dbraw/zinc/09/37/95/141093795.db2.gz QTZHKOWJRZHOQG-INIZCTEOSA-N 0 0 344.342 3.089 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000338143575 141102307 /nfs/dbraw/zinc/10/23/07/141102307.db2.gz OATWNPJDGDZRIP-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN C[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341266236 141147484 /nfs/dbraw/zinc/14/74/84/141147484.db2.gz SYGQUSXBEQRWHZ-SECBINFHSA-N 0 0 338.285 3.432 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000346435466 141193911 /nfs/dbraw/zinc/19/39/11/141193911.db2.gz MKIIPZZLNKQIGH-ZDUSSCGKSA-N 0 0 348.330 3.027 10 5 EGBERN Cc1nn(C)c(-c2nc([C@H](C)c3c(F)cccc3F)no2)c1[N+](=O)[O-] ZINC000356852292 141354631 /nfs/dbraw/zinc/35/46/31/141354631.db2.gz WPCSGNFQEHUAIY-SSDOTTSWSA-N 0 0 349.297 3.117 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000366550101 141512331 /nfs/dbraw/zinc/51/23/31/141512331.db2.gz BWDFMEDCVQYYFD-QGZVFWFLSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000171612739 144007619 /nfs/dbraw/zinc/00/76/19/144007619.db2.gz WCTHFEWHUSWNOT-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN COc1cc(OC)cc([C@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000178253529 144067378 /nfs/dbraw/zinc/06/73/78/144067378.db2.gz HLSNOVPHSPYXTB-ZDUSSCGKSA-N 0 0 343.383 3.309 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000183913175 144081718 /nfs/dbraw/zinc/08/17/18/144081718.db2.gz HUEFMDQMHBJQDO-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351722093 144296690 /nfs/dbraw/zinc/29/66/90/144296690.db2.gz UQOFKSPJJYTXPA-VIFPVBQESA-N 0 0 336.294 3.453 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000351752422 144301619 /nfs/dbraw/zinc/30/16/19/144301619.db2.gz RLFNMKQIWDUJFZ-HNNXBMFYSA-N 0 0 342.729 3.350 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(Cc2ccccc2)CCC1 ZINC000351761613 144302576 /nfs/dbraw/zinc/30/25/76/144302576.db2.gz WHLGPURCHBDVRO-UHFFFAOYSA-N 0 0 325.368 3.193 10 5 EGBERN COc1cc(CSc2nnc(CSC)o2)ccc1[N+](=O)[O-] ZINC000351855603 144317310 /nfs/dbraw/zinc/31/73/10/144317310.db2.gz XCRYGCBLPFRRGP-UHFFFAOYSA-N 0 0 327.387 3.142 10 5 EGBERN CC(C)(C)n1nnnc1COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000361578957 144331893 /nfs/dbraw/zinc/33/18/93/144331893.db2.gz STHSIRVURMUZAG-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000341276584 155225072 /nfs/dbraw/zinc/22/50/72/155225072.db2.gz GBGNLCBJAKRHCI-VXGBXAGGSA-N 0 0 332.331 3.379 10 5 EGBERN COc1ncc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000341407360 155275033 /nfs/dbraw/zinc/27/50/33/155275033.db2.gz PZDSAMFNAHUFBK-JTQLQIEISA-N 0 0 349.774 3.451 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000116353338 152057510 /nfs/dbraw/zinc/05/75/10/152057510.db2.gz BUOWPFRAJZSNOR-CYBMUJFWSA-N 0 0 336.369 3.022 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000117225665 152091734 /nfs/dbraw/zinc/09/17/34/152091734.db2.gz YVDQLLKKPYVPFR-QWHCGFSZSA-N 0 0 338.429 3.398 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1COc2ccccc21 ZINC000117635355 152108155 /nfs/dbraw/zinc/10/81/55/152108155.db2.gz FQIJQYKUOHVILM-AWEZNQCLSA-N 0 0 332.743 3.041 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000155753940 152640210 /nfs/dbraw/zinc/64/02/10/152640210.db2.gz MSSAQYVSCJSHFH-GFCCVEGCSA-N 0 0 336.388 3.407 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000172073288 152802090 /nfs/dbraw/zinc/80/20/90/152802090.db2.gz KIGZBDNERASUBM-AWEZNQCLSA-N 0 0 336.369 3.022 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172688628 152808816 /nfs/dbraw/zinc/80/88/16/152808816.db2.gz SIVLXJQTPNVIOU-HUUCEWRRSA-N 0 0 340.335 3.108 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174485096 152862901 /nfs/dbraw/zinc/86/29/01/152862901.db2.gz LNWGOHSRGONMCZ-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000177637937 152967874 /nfs/dbraw/zinc/96/78/74/152967874.db2.gz NTRAZMLIABIPGN-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN CCc1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000191690285 153217058 /nfs/dbraw/zinc/21/70/58/153217058.db2.gz XUIXLQBDTSCULY-UHFFFAOYSA-N 0 0 349.822 3.308 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000193772129 153303163 /nfs/dbraw/zinc/30/31/63/153303163.db2.gz CNPQTWAFFINSEZ-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000194862904 153362933 /nfs/dbraw/zinc/36/29/33/153362933.db2.gz OMKCLCFITYRYFU-IAQYHMDHSA-N 0 0 344.392 3.325 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN2CCCC[C@H]2C1 ZINC000195081582 153378715 /nfs/dbraw/zinc/37/87/15/153378715.db2.gz HQJUPAXSSIXSKO-AWEZNQCLSA-N 0 0 345.424 3.120 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000195103574 153380022 /nfs/dbraw/zinc/38/00/22/153380022.db2.gz JHVDCLSUTFLOPX-QGZVFWFLSA-N 0 0 337.335 3.411 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1cccnc1)C1CC1 ZINC000195211847 153389233 /nfs/dbraw/zinc/38/92/33/153389233.db2.gz ATRWBNJOIKDMTE-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1coc(C2CCCC2)n1 ZINC000337956485 154580164 /nfs/dbraw/zinc/58/01/64/154580164.db2.gz SOHGIIZTEQHELM-UHFFFAOYSA-N 0 0 329.356 3.213 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)N2CC(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000338195702 154625166 /nfs/dbraw/zinc/62/51/66/154625166.db2.gz OTNBRROPEMGOTN-CYBMUJFWSA-N 0 0 340.383 3.255 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2cnc(C3CC3)nc2)c2ncccc12 ZINC000339361548 154815015 /nfs/dbraw/zinc/81/50/15/154815015.db2.gz QJXNZEFWJXJFHJ-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2noc(-c3cccc(F)c3)n2)n1 ZINC000343059982 155630399 /nfs/dbraw/zinc/63/03/99/155630399.db2.gz CBWSBFKBKDDWFG-UHFFFAOYSA-N 0 0 343.318 3.408 10 5 EGBERN COc1ccc(CNC(=O)c2cc[nH]c2C2CCC2)cc1[N+](=O)[O-] ZINC000345236926 156011339 /nfs/dbraw/zinc/01/13/39/156011339.db2.gz YAJHMOLRNJIJHE-UHFFFAOYSA-N 0 0 329.356 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000345288024 156035970 /nfs/dbraw/zinc/03/59/70/156035970.db2.gz NERZQZOOONNVOJ-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(CC2CCC(OC)CC2)no1 ZINC000346895882 156185735 /nfs/dbraw/zinc/18/57/35/156185735.db2.gz NEUXSXOKRYXHHH-UHFFFAOYSA-N 0 0 347.371 3.401 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000346915676 156195471 /nfs/dbraw/zinc/19/54/71/156195471.db2.gz MFEXXQLHJVPWOM-OAHLLOKOSA-N 0 0 329.356 3.188 10 5 EGBERN CCC(CC)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OC ZINC000346939253 156205819 /nfs/dbraw/zinc/20/58/19/156205819.db2.gz HOMWPVVIPDCWJQ-UHFFFAOYSA-N 0 0 346.330 3.131 10 5 EGBERN CCc1nn(C)c(N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000354536409 156568266 /nfs/dbraw/zinc/56/82/66/156568266.db2.gz GRNYLBWZXBXDKO-UVWXRNBGSA-N 0 0 330.388 3.256 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CC3(CCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000365313123 157104708 /nfs/dbraw/zinc/10/47/08/157104708.db2.gz AMXJAUBRRKRCAB-GFCCVEGCSA-N 0 0 346.383 3.176 10 5 EGBERN O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])s1 ZINC000109110022 162093045 /nfs/dbraw/zinc/09/30/45/162093045.db2.gz AFVQXUHWZUJSGG-UHFFFAOYSA-N 0 0 338.395 3.489 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110347973 162124427 /nfs/dbraw/zinc/12/44/27/162124427.db2.gz DYNNSPNGFORRLU-HNNXBMFYSA-N 0 0 341.411 3.154 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000113841119 162217928 /nfs/dbraw/zinc/21/79/28/162217928.db2.gz KCXOGQSDWNKJMD-UHFFFAOYSA-N 0 0 343.358 3.285 10 5 EGBERN Cn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000123260654 162254399 /nfs/dbraw/zinc/25/43/99/162254399.db2.gz WDNZVDAIUZZBCR-UHFFFAOYSA-N 0 0 333.398 3.139 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125703246 162284423 /nfs/dbraw/zinc/28/44/23/162284423.db2.gz JQUWRUYLGUWXCE-ZFWWWQNUSA-N 0 0 335.404 3.303 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126507707 162305676 /nfs/dbraw/zinc/30/56/76/162305676.db2.gz IQJQGRISWQECBO-KRWDZBQOSA-N 0 0 332.331 3.013 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(N2CCCC2=O)ccc1F ZINC000131159608 162391978 /nfs/dbraw/zinc/39/19/78/162391978.db2.gz ZHZVPKQQAAGBHV-UHFFFAOYSA-N 0 0 343.314 3.113 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cnc3cnccc3c2)cc1[N+](=O)[O-] ZINC000336981777 163097414 /nfs/dbraw/zinc/09/74/14/163097414.db2.gz SPQZWHGDDJPSOO-LBPRGKRZSA-N 0 0 336.351 3.337 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCOc2cccc(F)c2C1 ZINC000338329642 163212684 /nfs/dbraw/zinc/21/26/84/163212684.db2.gz WZXCYVJAAJDULK-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC2(CCC2)C1 ZINC000338555221 163271028 /nfs/dbraw/zinc/27/10/28/163271028.db2.gz VEYPNJNTDVAYQI-UHFFFAOYSA-N 0 0 327.388 3.254 10 5 EGBERN Cc1cc(N[C@@H](C)Cn2cncn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338652325 163306350 /nfs/dbraw/zinc/30/63/50/163306350.db2.gz GZHUBLNALQMYGW-VIFPVBQESA-N 0 0 329.282 3.014 10 5 EGBERN Nc1c(C(=O)NCC2CC(c3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000338671993 163314122 /nfs/dbraw/zinc/31/41/22/163314122.db2.gz CTTOMJHCSPOCPO-UHFFFAOYSA-N 0 0 343.358 3.240 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000338684008 163317565 /nfs/dbraw/zinc/31/75/65/163317565.db2.gz XSCLBZUVOACDLU-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN Cc1cc(NCC[C@@H](C)[S@](C)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338680689 163317637 /nfs/dbraw/zinc/31/76/37/163317637.db2.gz ISUDHYZFGNBUCC-CLTRCRFRSA-N 0 0 338.351 3.491 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000354355788 166008117 /nfs/dbraw/zinc/00/81/17/166008117.db2.gz KZCCBMKCFMYMHS-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN O=C(NCCOc1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338856654 163364812 /nfs/dbraw/zinc/36/48/12/163364812.db2.gz LDVLVPOKTZZSRV-UHFFFAOYSA-N 0 0 343.314 3.024 10 5 EGBERN CCc1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000341067534 163712416 /nfs/dbraw/zinc/71/24/16/163712416.db2.gz XBSPDJCLHDFBAY-UHFFFAOYSA-N 0 0 331.353 3.290 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2c(c1)COC2 ZINC000343561218 163983072 /nfs/dbraw/zinc/98/30/72/163983072.db2.gz FRWTZYWXPUFCPP-UHFFFAOYSA-N 0 0 334.278 3.084 10 5 EGBERN Cc1sc(C(=O)NCCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000343652768 164003888 /nfs/dbraw/zinc/00/38/88/164003888.db2.gz MDTPEZZZLBHYHS-UHFFFAOYSA-N 0 0 344.314 3.355 10 5 EGBERN CCN(CCc1nccs1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343698068 164015289 /nfs/dbraw/zinc/01/52/89/164015289.db2.gz OKLKTTPRHBYCDP-UHFFFAOYSA-N 0 0 347.440 3.420 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000343815269 164041483 /nfs/dbraw/zinc/04/14/83/164041483.db2.gz YNMIRDRYGDSKDM-UHFFFAOYSA-N 0 0 342.399 3.466 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCOC1 ZINC000344277714 164144978 /nfs/dbraw/zinc/14/49/78/164144978.db2.gz VDJAEBDSNDOVHB-GFCCVEGCSA-N 0 0 338.429 3.252 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000344447681 164180859 /nfs/dbraw/zinc/18/08/59/164180859.db2.gz KTMYPSRRGWBKNP-CQSZACIVSA-N 0 0 336.344 3.009 10 5 EGBERN C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000345545422 164213269 /nfs/dbraw/zinc/21/32/69/164213269.db2.gz QTVNNKMMMHZHFD-RYUDHWBXSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000345833053 164274421 /nfs/dbraw/zinc/27/44/21/164274421.db2.gz AFKBPJFGCAPACX-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000346088694 164334362 /nfs/dbraw/zinc/33/43/62/164334362.db2.gz UJPSYVVQERLBAQ-PRHODGIISA-N 0 0 331.294 3.211 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346357297 164374390 /nfs/dbraw/zinc/37/43/90/164374390.db2.gz FZMNXPOIKHWYIQ-OAHLLOKOSA-N 0 0 343.383 3.092 10 5 EGBERN COCCOc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000346411832 164382587 /nfs/dbraw/zinc/38/25/87/164382587.db2.gz GJIGGIXRUMWVQE-UHFFFAOYSA-N 0 0 337.763 3.281 10 5 EGBERN CN(Cc1ccoc1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348574358 164782079 /nfs/dbraw/zinc/78/20/79/164782079.db2.gz JQIFPCAHRAAEEJ-UHFFFAOYSA-N 0 0 328.246 3.479 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351621561 165105532 /nfs/dbraw/zinc/10/55/32/165105532.db2.gz QFCQVCJMYCUVFJ-IAQYHMDHSA-N 0 0 339.367 3.187 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000351689713 165134531 /nfs/dbraw/zinc/13/45/31/165134531.db2.gz CNDGBSUEKVLCOP-FVKWTLKZSA-N 0 0 340.383 3.089 10 5 EGBERN CNc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000352216804 165290354 /nfs/dbraw/zinc/29/03/54/165290354.db2.gz LFLKXBPAZHYCMQ-SCZZXKLOSA-N 0 0 331.294 3.049 10 5 EGBERN O=C1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000352368856 165367196 /nfs/dbraw/zinc/36/71/96/165367196.db2.gz WFBLANZMYWYZRZ-INIZCTEOSA-N 0 0 348.362 3.360 10 5 EGBERN CN(Cc1cc[nH]n1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353526886 165794035 /nfs/dbraw/zinc/79/40/35/165794035.db2.gz JYZPDWIXXAKABO-UHFFFAOYSA-N 0 0 329.385 3.073 10 5 EGBERN CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cs1 ZINC000353734266 165875289 /nfs/dbraw/zinc/87/52/89/165875289.db2.gz DENKJFMPCHNTCL-UHFFFAOYSA-N 0 0 327.793 3.212 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355114258 166110525 /nfs/dbraw/zinc/11/05/25/166110525.db2.gz OSHFDOBKXDMTDX-BXUZGUMPSA-N 0 0 342.342 3.197 10 5 EGBERN COc1ccc(CNC(=O)c2oc(CC(C)C)nc2C)cc1[N+](=O)[O-] ZINC000355163539 166120937 /nfs/dbraw/zinc/12/09/37/166120937.db2.gz KFBRGRWEOSNRPQ-UHFFFAOYSA-N 0 0 347.371 3.028 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccoc1C(F)(F)F ZINC000355329072 166166138 /nfs/dbraw/zinc/16/61/38/166166138.db2.gz VGKNNIWQNBMNSR-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000355339414 166169622 /nfs/dbraw/zinc/16/96/22/166169622.db2.gz FASUCFBXUAUXCJ-OAHLLOKOSA-N 0 0 336.351 3.419 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000355606940 166259182 /nfs/dbraw/zinc/25/91/82/166259182.db2.gz OKZMKRNFLCAGBR-OCCSQVGLSA-N 0 0 342.367 3.434 10 5 EGBERN CSc1ccc(C(=O)NCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000355751383 166296344 /nfs/dbraw/zinc/29/63/44/166296344.db2.gz MYUKFLWMSDLCDJ-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN Cc1cccnc1-c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000355840132 166324692 /nfs/dbraw/zinc/32/46/92/166324692.db2.gz ICIGLDLLCACIQZ-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CCCOc1ccc(-c2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)cc1 ZINC000356002671 166371807 /nfs/dbraw/zinc/37/18/07/166371807.db2.gz DDQDTEBCHCLZLQ-UHFFFAOYSA-N 0 0 343.343 3.143 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356469280 166424538 /nfs/dbraw/zinc/42/45/38/166424538.db2.gz DTRSUIHEAQBJKB-FUHWJXTLSA-N 0 0 344.342 3.203 10 5 EGBERN CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccc(F)c1 ZINC000357327999 166648603 /nfs/dbraw/zinc/64/86/03/166648603.db2.gz HJWAZIJYYIQAFS-UHFFFAOYSA-N 0 0 342.330 3.429 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358694170 166936472 /nfs/dbraw/zinc/93/64/72/166936472.db2.gz FLHKTRZQXZFXSL-DLBZAZTESA-N 0 0 326.352 3.023 10 5 EGBERN COc1ccccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358953202 167017069 /nfs/dbraw/zinc/01/70/69/167017069.db2.gz RKOLNEOFIMDCPY-UHFFFAOYSA-N 0 0 338.266 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000359079486 167060421 /nfs/dbraw/zinc/06/04/21/167060421.db2.gz BGWCJCRUQOQKOV-CQSZACIVSA-N 0 0 330.388 3.449 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccnc2OCC(F)F)n1 ZINC000359106660 167068213 /nfs/dbraw/zinc/06/82/13/167068213.db2.gz YLFKWRBGEOUGCD-UHFFFAOYSA-N 0 0 338.314 3.258 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359190859 167091639 /nfs/dbraw/zinc/09/16/39/167091639.db2.gz FENQJYYUOAEQFI-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1nc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cs1 ZINC000359418880 167151074 /nfs/dbraw/zinc/15/10/74/167151074.db2.gz YLLMHYFFTXLQSW-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000360398124 167319794 /nfs/dbraw/zinc/31/97/94/167319794.db2.gz ZSAYDXHTJZSYOA-SNVBAGLBSA-N 0 0 329.303 3.303 10 5 EGBERN COc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000360681475 167387103 /nfs/dbraw/zinc/38/71/03/167387103.db2.gz PZTFCHNMUHIJIN-XIKOKIGWSA-N 0 0 348.399 3.264 10 5 EGBERN COc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000360681474 167387129 /nfs/dbraw/zinc/38/71/29/167387129.db2.gz PZTFCHNMUHIJIN-SGTLLEGYSA-N 0 0 348.399 3.264 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1OC ZINC000361819465 167663277 /nfs/dbraw/zinc/66/32/77/167663277.db2.gz OCONDFZRCCJQMS-HZPDHXFCSA-N 0 0 345.399 3.400 10 5 EGBERN CC(C)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCOC1 ZINC000362263104 167713737 /nfs/dbraw/zinc/71/37/37/167713737.db2.gz RHDQSOUQLVYGJY-CYBMUJFWSA-N 0 0 334.397 3.449 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000362735472 167830947 /nfs/dbraw/zinc/83/09/47/167830947.db2.gz JOAKISHVPQTFKN-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000366976258 168164864 /nfs/dbraw/zinc/16/48/64/168164864.db2.gz OFGGNWHHMIBKDL-LBPRGKRZSA-N 0 0 341.346 3.165 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000367558319 168242030 /nfs/dbraw/zinc/24/20/30/168242030.db2.gz ZUIXTMKQYLDBMZ-CRAIPNDOSA-N 0 0 340.379 3.411 10 5 EGBERN COC[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171066573 226865274 /nfs/dbraw/zinc/86/52/74/226865274.db2.gz ZUBHRZGPALIDHC-MRXNPFEDSA-N 0 0 343.383 3.124 10 5 EGBERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000171448020 227085451 /nfs/dbraw/zinc/08/54/51/227085451.db2.gz RSQMETUCWXXJAN-AWEZNQCLSA-N 0 0 349.778 3.351 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000122899470 222178400 /nfs/dbraw/zinc/17/84/00/222178400.db2.gz NYMDQMSZMUYLEM-CQSZACIVSA-N 0 0 345.359 3.086 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(c1ccccn1)C1CCCC1 ZINC000154457865 264805462 /nfs/dbraw/zinc/80/54/62/264805462.db2.gz KIKHKLVELGCFLV-UHFFFAOYSA-N 0 0 326.356 3.283 10 5 EGBERN COc1ccc(C[C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1OC ZINC000173915930 265011956 /nfs/dbraw/zinc/01/19/56/265011956.db2.gz DBWDVQJOHZCZTJ-LBPRGKRZSA-N 0 0 331.372 3.359 10 5 EGBERN COC(=O)c1cc(O[C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000174151555 265027885 /nfs/dbraw/zinc/02/78/85/265027885.db2.gz MQSWDWMCFUOTIK-SECBINFHSA-N 0 0 349.343 3.202 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000174709123 265067963 /nfs/dbraw/zinc/06/79/63/265067963.db2.gz PIBXXXMUAJCGLG-SSDOTTSWSA-N 0 0 338.389 3.136 10 5 EGBERN COc1ccc(CSCC(=O)NCC2(C)CCC2)cc1[N+](=O)[O-] ZINC000175110937 265093627 /nfs/dbraw/zinc/09/36/27/265093627.db2.gz WZUOHCXWAIXXIJ-UHFFFAOYSA-N 0 0 338.429 3.143 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175168749 265097674 /nfs/dbraw/zinc/09/76/74/265097674.db2.gz VSYIIYWTIAVSJA-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000175426289 265114866 /nfs/dbraw/zinc/11/48/66/265114866.db2.gz UPDNRLWMIKHUMH-SNVBAGLBSA-N 0 0 335.385 3.344 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000175942199 265145838 /nfs/dbraw/zinc/14/58/38/265145838.db2.gz ZVSOZWIFWQOYPR-MRXNPFEDSA-N 0 0 329.356 3.251 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2onc(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177806782 265279114 /nfs/dbraw/zinc/27/91/14/265279114.db2.gz YCHMQNXDLPFUEI-OAHLLOKOSA-N 0 0 340.339 3.321 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000177845783 265282782 /nfs/dbraw/zinc/28/27/82/265282782.db2.gz FBZSRQWXSHWAND-CJNGLKHVSA-N 0 0 340.379 3.332 10 5 EGBERN CO[C@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000189854279 265799715 /nfs/dbraw/zinc/79/97/15/265799715.db2.gz CWOJEQOVPIJIOA-GFCCVEGCSA-N 0 0 329.356 3.103 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC2CCC2)c2ccccc2)n1 ZINC000191702668 265925675 /nfs/dbraw/zinc/92/56/75/265925675.db2.gz XKAROFLKHPOAAC-OAHLLOKOSA-N 0 0 342.399 3.473 10 5 EGBERN Cc1c(NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000193401539 266030596 /nfs/dbraw/zinc/03/05/96/266030596.db2.gz OMCCVESFFDEUPB-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000193637669 266049853 /nfs/dbraw/zinc/04/98/53/266049853.db2.gz BFBSDOREMBUVJH-NEPJUHHUSA-N 0 0 347.371 3.183 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000269449514 266296804 /nfs/dbraw/zinc/29/68/04/266296804.db2.gz GCKYXEOXVKWCOA-LBPRGKRZSA-N 0 0 330.388 3.283 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2F)C2CCCC2)n1 ZINC000271437468 266662209 /nfs/dbraw/zinc/66/22/09/266662209.db2.gz SPYZTCYMVYNCNC-HNNXBMFYSA-N 0 0 346.362 3.129 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000273440661 267040503 /nfs/dbraw/zinc/04/05/03/267040503.db2.gz HETVJHQLILZSEB-DGCLKSJQSA-N 0 0 340.807 3.117 10 5 EGBERN CC(C)(c1cccs1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000273992805 267159604 /nfs/dbraw/zinc/15/96/04/267159604.db2.gz QILGTPWPPMTXNK-UHFFFAOYSA-N 0 0 330.369 3.351 10 5 EGBERN C[C@@H](c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)C1CC1 ZINC000274007565 267163614 /nfs/dbraw/zinc/16/36/14/267163614.db2.gz ODSMXLQWIHWADC-OTYXRUKQSA-N 0 0 328.328 3.357 10 5 EGBERN COc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)CCO2 ZINC000274293582 267213553 /nfs/dbraw/zinc/21/35/53/267213553.db2.gz ZWBQRYJBXLWQQO-LBPRGKRZSA-N 0 0 348.380 3.227 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000275761468 267420755 /nfs/dbraw/zinc/42/07/55/267420755.db2.gz FPGAITPXYCOXNZ-ZLKJLUDKSA-N 0 0 338.791 3.100 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175121466 287731382 /nfs/dbraw/zinc/73/13/82/287731382.db2.gz OZNNRSZDYVETNL-LSDHHAIUSA-N 0 0 345.443 3.458 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186610326 275035888 /nfs/dbraw/zinc/03/58/88/275035888.db2.gz PNRCFHZFHOCGNB-GOSISDBHSA-N 0 0 328.343 3.365 10 5 EGBERN O=[N+]([O-])c1ccc2oc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2c1 ZINC000105645479 275039220 /nfs/dbraw/zinc/03/92/20/275039220.db2.gz IZQGCMUMFMBMOA-UHFFFAOYSA-N 0 0 330.212 3.219 10 5 EGBERN COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1F ZINC000103376957 275161792 /nfs/dbraw/zinc/16/17/92/275161792.db2.gz SLSNGILVUMACRH-LLVKDONJSA-N 0 0 344.342 3.263 10 5 EGBERN O=C(Nc1cncc(Br)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000156125590 275194355 /nfs/dbraw/zinc/19/43/55/275194355.db2.gz DABYUUIVNZXBGZ-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN COc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000172823472 275197642 /nfs/dbraw/zinc/19/76/42/275197642.db2.gz QPAJRJDDJCRXJV-ZDUSSCGKSA-N 0 0 344.367 3.109 10 5 EGBERN COc1c(C)cnc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000194843076 275227834 /nfs/dbraw/zinc/22/78/34/275227834.db2.gz MWIBMCRQXBXEDM-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CCCO)CC1 ZINC000278621238 275259941 /nfs/dbraw/zinc/25/99/41/275259941.db2.gz LVJKQOFIOAAJFQ-UHFFFAOYSA-N 0 0 340.807 3.181 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281126092 275524029 /nfs/dbraw/zinc/52/40/29/275524029.db2.gz SSTKYJBKHISEOY-HNNXBMFYSA-N 0 0 348.790 3.349 10 5 EGBERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000281912406 275587960 /nfs/dbraw/zinc/58/79/60/275587960.db2.gz GMYLQPHSWUZEJE-GOSISDBHSA-N 0 0 340.379 3.305 10 5 EGBERN CCCc1occc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000282805860 275672647 /nfs/dbraw/zinc/67/26/47/275672647.db2.gz ZODXZTMFMHYJGM-UHFFFAOYSA-N 0 0 332.312 3.179 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccnc(OC(F)F)c1)CCN2 ZINC000286374848 275990549 /nfs/dbraw/zinc/99/05/49/275990549.db2.gz IMPSBKCUCMFBKE-UHFFFAOYSA-N 0 0 336.298 3.171 10 5 EGBERN CC(=O)c1cc(N2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000287710383 276149690 /nfs/dbraw/zinc/14/96/90/276149690.db2.gz DUQXVIYAQPBUAJ-INIZCTEOSA-N 0 0 332.381 3.437 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000288314967 276200989 /nfs/dbraw/zinc/20/09/89/276200989.db2.gz ISONDNDJNHMIAU-LBPRGKRZSA-N 0 0 341.367 3.209 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288477298 276218317 /nfs/dbraw/zinc/21/83/17/276218317.db2.gz VGGRBBJNCQGBDZ-UHFFFAOYSA-N 0 0 347.802 3.195 10 5 EGBERN COCCC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289757419 276389059 /nfs/dbraw/zinc/38/90/59/276389059.db2.gz RPCNJMHBKXLOGO-UHFFFAOYSA-N 0 0 327.768 3.139 10 5 EGBERN CC(C)(CCc1noc(-c2cc3c(cc2O)CCCC3)n1)[N+](=O)[O-] ZINC000291071447 276584821 /nfs/dbraw/zinc/58/48/21/276584821.db2.gz LTQQMOLRQSBXRU-UHFFFAOYSA-N 0 0 331.372 3.309 10 5 EGBERN CCOC1(C)CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000291919920 276708198 /nfs/dbraw/zinc/70/81/98/276708198.db2.gz RLNQTARAVKAYAR-UHFFFAOYSA-N 0 0 336.388 3.085 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)c1 ZINC000154208576 277458463 /nfs/dbraw/zinc/45/84/63/277458463.db2.gz XHQQORQJBXAXHJ-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCOC3(CCSCC3)C2)n1 ZINC000359095767 278665508 /nfs/dbraw/zinc/66/55/08/278665508.db2.gz NRNYRFVZFBSOHJ-CYBMUJFWSA-N 0 0 337.445 3.463 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCCCC[C@@H]2O)ncc1[N+](=O)[O-] ZINC000165801535 280198878 /nfs/dbraw/zinc/19/88/78/280198878.db2.gz BERWVVONSUWTKI-KOLCDFICSA-N 0 0 344.209 3.166 10 5 EGBERN Cc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c([N+](=O)[O-])c1 ZINC000014264938 280925187 /nfs/dbraw/zinc/92/51/87/280925187.db2.gz VNKWTMDIPNEVNI-UHFFFAOYSA-N 0 0 339.233 3.152 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000155754059 281040111 /nfs/dbraw/zinc/04/01/11/281040111.db2.gz MSSAQYVSCJSHFH-LBPRGKRZSA-N 0 0 336.388 3.407 10 5 EGBERN CC[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376386318 288299640 /nfs/dbraw/zinc/29/96/40/288299640.db2.gz UKGOJQXWGDSCRJ-WFASDCNBSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341368876 281135684 /nfs/dbraw/zinc/13/56/84/281135684.db2.gz NNYVGIRHVBFZJZ-CQSZACIVSA-N 0 0 330.315 3.214 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354553829 281289534 /nfs/dbraw/zinc/28/95/34/281289534.db2.gz YFQSMAYGOSBCLY-OAHLLOKOSA-N 0 0 330.315 3.296 10 5 EGBERN Cc1nc2ccccc2n1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340861185 282077756 /nfs/dbraw/zinc/07/77/56/282077756.db2.gz TVAGPZWRGDQVRB-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189845666 304568264 /nfs/dbraw/zinc/56/82/64/304568264.db2.gz QDBWXOWUVDNUHG-UHFFFAOYSA-N 0 0 338.363 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000351884914 301424051 /nfs/dbraw/zinc/42/40/51/301424051.db2.gz OVAOITCIYGVKPK-PWSUYJOCSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000408171677 301682085 /nfs/dbraw/zinc/68/20/85/301682085.db2.gz MIOKIFBBOHRYMA-CJNGLKHVSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(C2)OCc2ccccc23)n1 ZINC000373459394 301853299 /nfs/dbraw/zinc/85/32/99/301853299.db2.gz LLHPUPJXYSFNPF-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413572537 309038015 /nfs/dbraw/zinc/03/80/15/309038015.db2.gz KFSIWGOZLVNAEB-FZMZJTMJSA-N 0 0 336.388 3.140 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000054277680 307337458 /nfs/dbraw/zinc/33/74/58/307337458.db2.gz LAWNLGLXZFPHFR-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CCOc1ccccc1CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067070670 307364645 /nfs/dbraw/zinc/36/46/45/307364645.db2.gz ARKODPKLBWVYQC-UHFFFAOYSA-N 0 0 328.368 3.243 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000071048693 307377808 /nfs/dbraw/zinc/37/78/08/307377808.db2.gz JMBXZWFYMIPIQP-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN CCOc1ccc(C(=O)N2c3ccccc3OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000072531502 307379924 /nfs/dbraw/zinc/37/99/24/307379924.db2.gz SZTXBFWPIVIFIL-LBPRGKRZSA-N 0 0 342.351 3.421 10 5 EGBERN CN(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000090459498 307459461 /nfs/dbraw/zinc/45/94/61/307459461.db2.gz ICEAHTWBFLPLNW-UHFFFAOYSA-N 0 0 328.299 3.173 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000121314505 307517538 /nfs/dbraw/zinc/51/75/38/307517538.db2.gz FYMSSKCAIYJMSJ-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)c(F)c1 ZINC000123300034 307537849 /nfs/dbraw/zinc/53/78/49/307537849.db2.gz GQXVGDDNAFUWDC-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000127637405 307587798 /nfs/dbraw/zinc/58/77/98/307587798.db2.gz RIVBVNZRKLPRAQ-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000128382639 307599133 /nfs/dbraw/zinc/59/91/33/307599133.db2.gz UYVXUKIAKCEAOB-CQSZACIVSA-N 0 0 338.285 3.498 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134531643 307689322 /nfs/dbraw/zinc/68/93/22/307689322.db2.gz BGRKAZQDDWYOMR-SJKOYZFVSA-N 0 0 345.399 3.137 10 5 EGBERN CC(C)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151426626 307732984 /nfs/dbraw/zinc/73/29/84/307732984.db2.gz JLWNUDOOEBHTPI-QGZVFWFLSA-N 0 0 348.424 3.412 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000151812205 307739599 /nfs/dbraw/zinc/73/95/99/307739599.db2.gz UNXBYPRAKAYXPY-UHFFFAOYSA-N 0 0 344.415 3.104 10 5 EGBERN COC(=O)c1sccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153016633 307764062 /nfs/dbraw/zinc/76/40/62/307764062.db2.gz GTYYIEUZAIQOKQ-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154597247 307796759 /nfs/dbraw/zinc/79/67/59/307796759.db2.gz KJOIXERNMJBAKD-CQSZACIVSA-N 0 0 326.418 3.079 10 5 EGBERN CCCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000155912111 307823385 /nfs/dbraw/zinc/82/33/85/307823385.db2.gz CRFKQKDFPAYYNQ-INIZCTEOSA-N 0 0 340.445 3.373 10 5 EGBERN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161095002 307898352 /nfs/dbraw/zinc/89/83/52/307898352.db2.gz HKNXJQDRLICWPI-VXGBXAGGSA-N 0 0 348.428 3.428 10 5 EGBERN C[C@@]12CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000292969506 308085383 /nfs/dbraw/zinc/08/53/83/308085383.db2.gz WMLYUJLQJQPWGA-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN[C@H](c2nccs2)C(F)(F)F)c1 ZINC000293033116 308092076 /nfs/dbraw/zinc/09/20/76/308092076.db2.gz RRCDUSPZXWJYJF-LLVKDONJSA-N 0 0 347.318 3.323 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293138972 308102953 /nfs/dbraw/zinc/10/29/53/308102953.db2.gz SGZMPFIARWVKMM-HIFRSBDPSA-N 0 0 340.807 3.412 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000293907860 308172670 /nfs/dbraw/zinc/17/26/70/308172670.db2.gz GEJCBTZNNKIDGM-SECBINFHSA-N 0 0 327.178 3.290 10 5 EGBERN CCc1nc(C)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000293935622 308175418 /nfs/dbraw/zinc/17/54/18/308175418.db2.gz HYSQDEIMMMALIK-UHFFFAOYSA-N 0 0 337.763 3.345 10 5 EGBERN CC[C@H]1CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293935644 308175462 /nfs/dbraw/zinc/17/54/62/308175462.db2.gz HZHZNSWYYISCPG-QMMMGPOBSA-N 0 0 331.141 3.121 10 5 EGBERN CCC(CC)(CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC ZINC000294638618 308240493 /nfs/dbraw/zinc/24/04/93/308240493.db2.gz LWIIGIWUOYVTEU-UHFFFAOYSA-N 0 0 328.796 3.492 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000294705340 308248131 /nfs/dbraw/zinc/24/81/31/308248131.db2.gz NJHKCDVPBSVRRP-DOMZBBRYSA-N 0 0 340.326 3.111 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294717413 308249034 /nfs/dbraw/zinc/24/90/34/308249034.db2.gz MGEPHVVOYMOIBC-LBPRGKRZSA-N 0 0 328.372 3.247 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000294996786 308279764 /nfs/dbraw/zinc/27/97/64/308279764.db2.gz UOTRMJBMNYEDGH-ZANVPECISA-N 0 0 346.305 3.111 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295262056 308308591 /nfs/dbraw/zinc/30/85/91/308308591.db2.gz KXVMTRBRRSONJE-HNNXBMFYSA-N 0 0 344.367 3.119 10 5 EGBERN CC(C)(C)c1cc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)no1 ZINC000295486418 308331708 /nfs/dbraw/zinc/33/17/08/308331708.db2.gz ZAQSPXRGJHZPLM-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN Cc1cc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000295569538 308339592 /nfs/dbraw/zinc/33/95/92/308339592.db2.gz NNKUQZRLCLYQHH-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295771806 308358392 /nfs/dbraw/zinc/35/83/92/308358392.db2.gz PZFPAKDRDFQRQW-CXAGYDPISA-N 0 0 329.356 3.331 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000296093297 308392863 /nfs/dbraw/zinc/39/28/63/308392863.db2.gz MHOANIJFNVYJCS-QWRGUYRKSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1cc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000296137312 308397632 /nfs/dbraw/zinc/39/76/32/308397632.db2.gz ZMAFGQQYGUTJTQ-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296140863 308397849 /nfs/dbraw/zinc/39/78/49/308397849.db2.gz PMSGEDRQPWHGJU-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1c(OS(=O)(=O)C[C@H]2CCCC2(F)F)cccc1[N+](=O)[O-] ZINC000296695532 308456837 /nfs/dbraw/zinc/45/68/37/308456837.db2.gz KFJCCNDCSVBYQM-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000296853501 308474010 /nfs/dbraw/zinc/47/40/10/308474010.db2.gz IVJVEIQDYZXUSG-QWRGUYRKSA-N 0 0 345.321 3.196 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C2CC2)n1 ZINC000297120745 308500977 /nfs/dbraw/zinc/50/09/77/308500977.db2.gz XULAJKYDAXPBJP-UHFFFAOYSA-N 0 0 326.356 3.231 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](O)C12CCCC2 ZINC000297774430 308562772 /nfs/dbraw/zinc/56/27/72/308562772.db2.gz JRDBKEGFADEYDG-CYBMUJFWSA-N 0 0 338.791 3.076 10 5 EGBERN CCOC(=O)c1cnn(Cc2ccc([N+](=O)[O-])c(F)c2)c1C(F)F ZINC000298371509 308608234 /nfs/dbraw/zinc/60/82/34/308608234.db2.gz PJZHLJFBVWTFFE-UHFFFAOYSA-N 0 0 343.261 3.093 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(Cl)cc1Cl ZINC000301069203 308687004 /nfs/dbraw/zinc/68/70/04/308687004.db2.gz FDFGWOTTWXOQTG-UHFFFAOYSA-N 0 0 328.111 3.188 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cccc(-n3cccn3)c2)c(Cl)c1 ZINC000301296619 308695444 /nfs/dbraw/zinc/69/54/44/308695444.db2.gz XYRPGUYPCNMSSQ-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC1(O)CCSCC1 ZINC000301348302 308697437 /nfs/dbraw/zinc/69/74/37/308697437.db2.gz HUETWLCRCHLDOZ-UHFFFAOYSA-N 0 0 347.234 3.027 10 5 EGBERN COC(=O)C=Cc1ccc(Oc2ccc3c[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000301574482 308705772 /nfs/dbraw/zinc/70/57/72/308705772.db2.gz YCZWPITYTQDTGF-XVNBXDOJSA-N 0 0 339.307 3.450 10 5 EGBERN COC(=O)c1cc(NC[C@@]2(C)CCCC[C@H]2O)cc(C)c1[N+](=O)[O-] ZINC000301668942 308710033 /nfs/dbraw/zinc/71/00/33/308710033.db2.gz DNXOLTQELAMOPG-RHSMWYFYSA-N 0 0 336.388 3.043 10 5 EGBERN Cc1cc(C)c(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c(C)c1 ZINC000301674844 308710351 /nfs/dbraw/zinc/71/03/51/308710351.db2.gz HBPXCFULSURRCB-UHFFFAOYSA-N 0 0 341.367 3.463 10 5 EGBERN O=[N+]([O-])c1ccc(Br)cc1NC[C@H](O)C1CCCC1 ZINC000301694047 308711371 /nfs/dbraw/zinc/71/13/71/308711371.db2.gz XZYHEQPQDXJPRK-ZDUSSCGKSA-N 0 0 329.194 3.320 10 5 EGBERN COC(=O)c1cc(NC[C@H](O)c2ccccc2C)cc(C)c1[N+](=O)[O-] ZINC000301711445 308712015 /nfs/dbraw/zinc/71/20/15/308712015.db2.gz XXHIJOBUAJAOEZ-INIZCTEOSA-N 0 0 344.367 3.144 10 5 EGBERN CS(=O)(=O)c1ccc(Sc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000301764797 308714290 /nfs/dbraw/zinc/71/42/90/308714290.db2.gz CMEKSSKOUOCZBU-UHFFFAOYSA-N 0 0 345.348 3.428 10 5 EGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccc(Cl)cc1 ZINC000301999568 308724769 /nfs/dbraw/zinc/72/47/69/308724769.db2.gz PSIPHVBOLDNSTJ-SNVBAGLBSA-N 0 0 347.762 3.170 10 5 EGBERN Cc1cc(N2CC[C@H](c3cnn(C)c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302031178 308725871 /nfs/dbraw/zinc/72/58/71/308725871.db2.gz SEPANCPLTYJRQT-ZDUSSCGKSA-N 0 0 337.383 3.179 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCOc3ccccc32)c1 ZINC000302062480 308727575 /nfs/dbraw/zinc/72/75/75/308727575.db2.gz BXHMISFPRGSUCE-ZDUSSCGKSA-N 0 0 342.351 3.360 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)nc1OCc1ccccc1 ZINC000302152965 308731186 /nfs/dbraw/zinc/73/11/86/308731186.db2.gz CKPBUKJULAJOJA-AWEZNQCLSA-N 0 0 329.356 3.160 10 5 EGBERN CC(=O)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302188385 308732501 /nfs/dbraw/zinc/73/25/01/308732501.db2.gz JRZKZPNAFJWNSJ-OAHLLOKOSA-N 0 0 344.346 3.034 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@@H]2CCCC[C@@H]21 ZINC000302191322 308732679 /nfs/dbraw/zinc/73/26/79/308732679.db2.gz QZRVZNAGKNTGLL-MRVWCRGKSA-N 0 0 338.429 3.013 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CCCN1c1cccnc1 ZINC000302198154 308732988 /nfs/dbraw/zinc/73/29/88/308732988.db2.gz YCESTRJLTXBDPY-HNNXBMFYSA-N 0 0 346.774 3.251 10 5 EGBERN CCc1nn(C)c(NCCc2cn(C)c3cc(C)ccc23)c1[N+](=O)[O-] ZINC000302520077 308738867 /nfs/dbraw/zinc/73/88/67/308738867.db2.gz XETVJCPCYRCOMG-UHFFFAOYSA-N 0 0 341.415 3.345 10 5 EGBERN COC(=O)c1cnc(N[C@@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000302785699 308745545 /nfs/dbraw/zinc/74/55/45/308745545.db2.gz VRIYJCLZPBWCNE-VIFPVBQESA-N 0 0 349.318 3.097 10 5 EGBERN COC(=O)c1cc(NCC2(c3ccccn3)CC2)cc(C)c1[N+](=O)[O-] ZINC000302867156 308748538 /nfs/dbraw/zinc/74/85/38/308748538.db2.gz WBTDPUBYDJPYGQ-UHFFFAOYSA-N 0 0 341.367 3.229 10 5 EGBERN CC[C@H](CC(F)F)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410706450 308920361 /nfs/dbraw/zinc/92/03/61/308920361.db2.gz UVEXACFMTUTDCM-SNVBAGLBSA-N 0 0 337.326 3.493 10 5 EGBERN CCc1ccc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000411118585 308927530 /nfs/dbraw/zinc/92/75/30/308927530.db2.gz SOVFHKCFFLJCDU-UHFFFAOYSA-N 0 0 328.290 3.324 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000412128426 308970354 /nfs/dbraw/zinc/97/03/54/308970354.db2.gz NMPRCMKDMQWFFO-MJBXVCDLSA-N 0 0 331.397 3.422 10 5 EGBERN COC(=O)c1cc(N[C@@H]2C[C@H](OC)C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000413437035 309031967 /nfs/dbraw/zinc/03/19/67/309031967.db2.gz HFABISUSGMBUPR-KGLIPLIRSA-N 0 0 334.372 3.059 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C3CCC3)C2)cc1OC(F)F ZINC000413484664 309033987 /nfs/dbraw/zinc/03/39/87/309033987.db2.gz ZYHXHJMJRBBWND-CQSZACIVSA-N 0 0 328.315 3.202 10 5 EGBERN O=C(c1nc2c(s1)CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415323305 309131080 /nfs/dbraw/zinc/13/10/80/309131080.db2.gz BCLSDLDGXCBSSO-UHFFFAOYSA-N 0 0 343.408 3.345 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000419030286 309259712 /nfs/dbraw/zinc/25/97/12/309259712.db2.gz SYSPENOFTIBXKV-CQSZACIVSA-N 0 0 328.372 3.049 10 5 EGBERN C[C@@]12C(=O)N(Cc3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000419070973 309260141 /nfs/dbraw/zinc/26/01/41/309260141.db2.gz KZLLQPHGXJNROD-SZMHQZGZSA-N 0 0 348.786 3.169 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420810231 309296021 /nfs/dbraw/zinc/29/60/21/309296021.db2.gz ZDMBHQUGKMOGTP-NVXWUHKLSA-N 0 0 349.431 3.174 10 5 EGBERN Cn1cc(Cl)c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959996 309304255 /nfs/dbraw/zinc/30/42/55/309304255.db2.gz GBMUZGGFKGLZDO-CYBMUJFWSA-N 0 0 334.807 3.361 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421585432 309330824 /nfs/dbraw/zinc/33/08/24/309330824.db2.gz CQCNAKNBMMFBMS-VNQPRFMTSA-N 0 0 346.452 3.348 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421664750 309333528 /nfs/dbraw/zinc/33/35/28/309333528.db2.gz RJWSJLRCUHJCHY-OUCADQQQSA-N 0 0 338.429 3.149 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000424301845 309437478 /nfs/dbraw/zinc/43/74/78/309437478.db2.gz WFNJGMSUETWIHH-SZMVWBNQSA-N 0 0 340.427 3.444 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000424695173 309452196 /nfs/dbraw/zinc/45/21/96/309452196.db2.gz ZPXUZGWEHQSWPF-ZIAGYGMSSA-N 0 0 337.395 3.350 10 5 EGBERN CC(C)n1cncc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425331280 309473747 /nfs/dbraw/zinc/47/37/47/309473747.db2.gz CIIVHMGTVSZFCL-UHFFFAOYSA-N 0 0 344.415 3.416 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1F ZINC000426297326 309503666 /nfs/dbraw/zinc/50/36/66/309503666.db2.gz YXTCGTXWLLVMKY-LBPRGKRZSA-N 0 0 338.379 3.085 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000426726407 309513783 /nfs/dbraw/zinc/51/37/83/309513783.db2.gz JLEKNTSSQALLMC-INIZCTEOSA-N 0 0 348.786 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc3ccccc3c2)n1 ZINC000427125766 309522724 /nfs/dbraw/zinc/52/27/24/309522724.db2.gz HDKZALKILQLRNX-UHFFFAOYSA-N 0 0 338.367 3.237 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2cccc(F)c21 ZINC000427597632 309531940 /nfs/dbraw/zinc/53/19/40/309531940.db2.gz WTDHSRXHLAOIHU-UHFFFAOYSA-N 0 0 325.299 3.418 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000428668176 309558174 /nfs/dbraw/zinc/55/81/74/309558174.db2.gz YNFVNZTXPDUWLC-YJBOKZPZSA-N 0 0 345.374 3.324 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N[C@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC000428670995 309558373 /nfs/dbraw/zinc/55/83/73/309558373.db2.gz UEMHBSNULAQKGB-HNNXBMFYSA-N 0 0 340.383 3.304 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1C[C@H]1C1CC1 ZINC000430967493 309622418 /nfs/dbraw/zinc/62/24/18/309622418.db2.gz SPTHJGBTZMLXAU-QWHCGFSZSA-N 0 0 343.305 3.211 10 5 EGBERN CO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000431175971 309627274 /nfs/dbraw/zinc/62/72/74/309627274.db2.gz BHKDWXPFDOLCBH-LBPRGKRZSA-N 0 0 345.193 3.275 10 5 EGBERN Cc1cc(N[C@H](C)c2ncc(Br)cn2)ncc1[N+](=O)[O-] ZINC000431491226 309634199 /nfs/dbraw/zinc/63/41/99/309634199.db2.gz SKAHQCSOSNTZPJ-MRVPVSSYSA-N 0 0 338.165 3.024 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000432133645 309652964 /nfs/dbraw/zinc/65/29/64/309652964.db2.gz OIHBYTVZLUKXRY-BBRMVZONSA-N 0 0 329.400 3.376 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](CC(F)(F)F)C1 ZINC000434189681 309706460 /nfs/dbraw/zinc/70/64/60/309706460.db2.gz OHABYYRHTLBJQZ-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1F ZINC000434599514 309715206 /nfs/dbraw/zinc/71/52/06/309715206.db2.gz YBIJUTBTFLFLNE-GFCCVEGCSA-N 0 0 331.347 3.332 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438143134 309807970 /nfs/dbraw/zinc/80/79/70/309807970.db2.gz UIPMDUGMBKBBRM-NVGCLXPQSA-N 0 0 326.352 3.278 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438152238 309808179 /nfs/dbraw/zinc/80/81/79/309808179.db2.gz ZRLMMGOGJWMXRH-FTGAXOIBSA-N 0 0 332.381 3.339 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cccc([N+](=O)[O-])c2C)cc1 ZINC000438902379 309822121 /nfs/dbraw/zinc/82/21/21/309822121.db2.gz RNPGGVYUGSWWRG-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438934900 309822661 /nfs/dbraw/zinc/82/26/61/309822661.db2.gz IPTNYUQSBKVJFJ-AXFHLTTASA-N 0 0 326.780 3.195 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439919943 309842220 /nfs/dbraw/zinc/84/22/20/309842220.db2.gz LORLBGANCLJMAT-NEPJUHHUSA-N 0 0 338.791 3.137 10 5 EGBERN COC(=O)c1cc(NCc2ccc3c(c2)OCO3)cc(C)c1[N+](=O)[O-] ZINC000440716834 309855072 /nfs/dbraw/zinc/85/50/72/309855072.db2.gz ZKVOFPYPDWSXSM-UHFFFAOYSA-N 0 0 344.323 3.031 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000440995844 309859931 /nfs/dbraw/zinc/85/99/31/309859931.db2.gz XEVBWKNGILSKQY-CYBMUJFWSA-N 0 0 340.379 3.087 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1[N+](=O)[O-] ZINC000444337249 309918599 /nfs/dbraw/zinc/91/85/99/309918599.db2.gz CEYVACWFWVQDTB-UHFFFAOYSA-N 0 0 348.407 3.109 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1cccc(F)c1 ZINC000444893281 309932979 /nfs/dbraw/zinc/93/29/79/309932979.db2.gz FJTSZUDDVYWQKM-UHFFFAOYSA-N 0 0 347.346 3.497 10 5 EGBERN CC(C)(C)n1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cn1 ZINC000445644271 309944964 /nfs/dbraw/zinc/94/49/64/309944964.db2.gz QLNVETYYBKMSTI-UHFFFAOYSA-N 0 0 331.307 3.402 10 5 EGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000445663594 309945290 /nfs/dbraw/zinc/94/52/90/309945290.db2.gz AGSPYSCNWZUGHW-KXUCPTDWSA-N 0 0 329.194 3.359 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000446339932 309960675 /nfs/dbraw/zinc/96/06/75/309960675.db2.gz GRLYCTLPOXTVDH-JTQLQIEISA-N 0 0 341.205 3.475 10 5 EGBERN CN(CCCOc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447688269 309985827 /nfs/dbraw/zinc/98/58/27/309985827.db2.gz LHQGNWTYBNXONQ-UHFFFAOYSA-N 0 0 326.356 3.376 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000449661708 310078490 /nfs/dbraw/zinc/07/84/90/310078490.db2.gz CXLHPTRDSKJAMI-GFCCVEGCSA-N 0 0 345.365 3.219 10 5 EGBERN Cc1cnc(CCCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000450186869 310107539 /nfs/dbraw/zinc/10/75/39/310107539.db2.gz XJTQBHSSOQPDAY-UHFFFAOYSA-N 0 0 343.383 3.405 10 5 EGBERN CC(C)[C@H](Nc1ccc([N+](=O)[O-])nc1)c1nc(-c2ccncc2)no1 ZINC000450396632 310120223 /nfs/dbraw/zinc/12/02/23/310120223.db2.gz WNMPEZUFXDONJG-AWEZNQCLSA-N 0 0 340.343 3.244 10 5 EGBERN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000450442919 310123025 /nfs/dbraw/zinc/12/30/25/310123025.db2.gz UEXGCARKQLIHJG-HOCLYGCPSA-N 0 0 331.347 3.485 10 5 EGBERN COCCCOc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1OC ZINC000450531432 310128598 /nfs/dbraw/zinc/12/85/98/310128598.db2.gz SUFROJZXVBQNOI-UHFFFAOYSA-N 0 0 333.344 3.157 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450552359 310129713 /nfs/dbraw/zinc/12/97/13/310129713.db2.gz HOHBKKSAJUPAIE-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCOC3(CCC3)C2)c1 ZINC000450717926 310139060 /nfs/dbraw/zinc/13/90/60/310139060.db2.gz MECBNUKRGICVKL-GFCCVEGCSA-N 0 0 334.372 3.143 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000450740191 310140291 /nfs/dbraw/zinc/14/02/91/310140291.db2.gz SUARUVIIVLIGPU-SUMWQHHRSA-N 0 0 329.400 3.428 10 5 EGBERN C[C@H]1CN(CC(F)(F)F)CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000450864419 310146582 /nfs/dbraw/zinc/14/65/82/310146582.db2.gz CLKSMCWYFVZTQB-JTQLQIEISA-N 0 0 335.301 3.054 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@]3(CCOC3)C2)cc1OC(F)F ZINC000450873954 310147159 /nfs/dbraw/zinc/14/71/59/310147159.db2.gz CVDJQQLMQUTMIW-HNNXBMFYSA-N 0 0 328.315 3.203 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CCSC3)C2)c1 ZINC000450911516 310149266 /nfs/dbraw/zinc/14/92/66/310149266.db2.gz ZGFMQOTZWUTNER-MRXNPFEDSA-N 0 0 336.413 3.105 10 5 EGBERN COC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000450946442 310151571 /nfs/dbraw/zinc/15/15/71/310151571.db2.gz MNCRCYHRCANFAB-JTQLQIEISA-N 0 0 344.209 3.005 10 5 EGBERN CCn1nnc(C)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000451761544 310196264 /nfs/dbraw/zinc/19/62/64/310196264.db2.gz PADPNKLZWSPKGB-UHFFFAOYSA-N 0 0 331.376 3.064 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000452474724 310229400 /nfs/dbraw/zinc/22/94/00/310229400.db2.gz ISZLGPPVUAGOHN-ZDUSSCGKSA-N 0 0 347.396 3.016 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2c(F)cccc21 ZINC000452576764 310232838 /nfs/dbraw/zinc/23/28/38/310232838.db2.gz UYWNLXFDFZLRLE-QGZVFWFLSA-N 0 0 328.343 3.470 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000452831927 310244305 /nfs/dbraw/zinc/24/43/05/310244305.db2.gz AHFOVRVHGRTEMR-YOEHRIQHSA-N 0 0 346.427 3.364 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452903603 310248126 /nfs/dbraw/zinc/24/81/26/310248126.db2.gz UZTDFYRRKCUBCW-AAEUAGOBSA-N 0 0 326.418 3.146 10 5 EGBERN CO[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000453230780 310265655 /nfs/dbraw/zinc/26/56/55/310265655.db2.gz DWTRHKGXGVAMOC-AWEZNQCLSA-N 0 0 330.344 3.100 10 5 EGBERN Cc1cnc(CCCc2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)o1 ZINC000453278739 310268897 /nfs/dbraw/zinc/26/88/97/310268897.db2.gz ZELQAZNDNVEHBA-UHFFFAOYSA-N 0 0 328.328 3.425 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000454146723 310294561 /nfs/dbraw/zinc/29/45/61/310294561.db2.gz MFKLXUGTTJIWCH-INMHGKMJSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000455157129 310347697 /nfs/dbraw/zinc/34/76/97/310347697.db2.gz DLMCLIJOFQJGNS-UAGQMJEPSA-N 0 0 347.415 3.451 10 5 EGBERN COC[C@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000455249678 310352209 /nfs/dbraw/zinc/35/22/09/310352209.db2.gz RCJGQQYSWMTBII-AWEZNQCLSA-N 0 0 335.404 3.492 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000455413200 310359563 /nfs/dbraw/zinc/35/95/63/310359563.db2.gz MAQCGIAJTISYEQ-ZDUSSCGKSA-N 0 0 335.404 3.271 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000455423026 310359901 /nfs/dbraw/zinc/35/99/01/310359901.db2.gz WGMXBYCLIFIQIR-XHDPSFHLSA-N 0 0 335.404 3.175 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000456156062 310391026 /nfs/dbraw/zinc/39/10/26/310391026.db2.gz SJFRSJYYFNNNCA-SMDDNHRTSA-N 0 0 340.807 3.429 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n1 ZINC000456172650 310391852 /nfs/dbraw/zinc/39/18/52/310391852.db2.gz DPUASCJMLQCPHU-CYBMUJFWSA-N 0 0 345.403 3.428 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456263912 310395604 /nfs/dbraw/zinc/39/56/04/310395604.db2.gz ZDRICFIDXPTMJE-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000456413638 310405109 /nfs/dbraw/zinc/40/51/09/310405109.db2.gz ICKDLNSYKKEKEP-KOLCDFICSA-N 0 0 334.763 3.189 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@@H](CC)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000456798281 310422952 /nfs/dbraw/zinc/42/29/52/310422952.db2.gz KHULOQCXFGWCET-OLZOCXBDSA-N 0 0 348.399 3.422 10 5 EGBERN CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000456800696 310423054 /nfs/dbraw/zinc/42/30/54/310423054.db2.gz NPHOHUJQGLDTEP-UHFFFAOYSA-N 0 0 336.779 3.285 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456884716 310427473 /nfs/dbraw/zinc/42/74/73/310427473.db2.gz RRZVPBBVPNTMSJ-CABZTGNLSA-N 0 0 339.189 3.133 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]1C1CC1 ZINC000458704535 310516772 /nfs/dbraw/zinc/51/67/72/310516772.db2.gz HWQKDGZRYVPSJB-CYBMUJFWSA-N 0 0 343.305 3.308 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1cc(F)cc(F)c1 ZINC000463402591 310612023 /nfs/dbraw/zinc/61/20/23/310612023.db2.gz YDMHDGQLIMBGDA-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN Cc1c(CNC(=O)N2CC(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000464340743 310619782 /nfs/dbraw/zinc/61/97/82/310619782.db2.gz KOSDDDLORDSQNF-UHFFFAOYSA-N 0 0 343.358 3.351 10 5 EGBERN COc1ccccc1S(=O)(=O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000468492307 310688965 /nfs/dbraw/zinc/68/89/65/310688965.db2.gz MRPGEDVYJWKEJW-LBPRGKRZSA-N 0 0 335.381 3.447 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000470065152 310716235 /nfs/dbraw/zinc/71/62/35/310716235.db2.gz HYJNVLUMGOVISG-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN O=C(C/C=C\c1ccc(F)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000470195625 310719893 /nfs/dbraw/zinc/71/98/93/310719893.db2.gz PVOHFHBEPXARGM-ARJAWSKDSA-N 0 0 328.343 3.496 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471330744 310736296 /nfs/dbraw/zinc/73/62/96/310736296.db2.gz KWLBTVKCWRYSSB-KBPBESRZSA-N 0 0 328.368 3.487 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000471682469 310742086 /nfs/dbraw/zinc/74/20/86/310742086.db2.gz ITHFFSZFCIMYLN-CABZTGNLSA-N 0 0 331.294 3.077 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000473512324 310776186 /nfs/dbraw/zinc/77/61/86/310776186.db2.gz GXUKIWJRLXRTJC-HUUCEWRRSA-N 0 0 327.384 3.396 10 5 EGBERN COC[C@@H](Cc1ccccc1)N(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000473705466 310778369 /nfs/dbraw/zinc/77/83/69/310778369.db2.gz KJAFKYJYRQOMBO-MRXNPFEDSA-N 0 0 329.400 3.301 10 5 EGBERN CC(C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000476156276 310823279 /nfs/dbraw/zinc/82/32/79/310823279.db2.gz OWYUEHBLPUUELO-SFHVURJKSA-N 0 0 339.395 3.314 10 5 EGBERN CC(C)(C(=O)NC[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000481308048 310910840 /nfs/dbraw/zinc/91/08/40/310910840.db2.gz AGEBPDVYKNWHQU-IBGZPJMESA-N 0 0 348.443 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000486006625 310986271 /nfs/dbraw/zinc/98/62/71/310986271.db2.gz RGPZANAMCRJCAM-MRXNPFEDSA-N 0 0 325.368 3.272 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000487024283 311007414 /nfs/dbraw/zinc/00/74/14/311007414.db2.gz GNEILTWWWOGRIU-GXTWGEPZSA-N 0 0 330.388 3.416 10 5 EGBERN Cc1ncc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000487174782 311013720 /nfs/dbraw/zinc/01/37/20/311013720.db2.gz QTYWZJHBIDZPRP-UHFFFAOYSA-N 0 0 326.278 3.002 10 5 EGBERN O=c1c2ccccc2n(CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000487879948 311041252 /nfs/dbraw/zinc/04/12/52/311041252.db2.gz RFPGWADDHZUIER-UHFFFAOYSA-N 0 0 330.290 3.431 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000488068674 311049967 /nfs/dbraw/zinc/04/99/67/311049967.db2.gz BGDYWHMEKIASHA-UZLBHIALSA-N 0 0 349.390 3.143 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](CCO)c1ccccc1 ZINC000488071885 311049980 /nfs/dbraw/zinc/04/99/80/311049980.db2.gz ZBZOTKOAFFOBTG-HNNXBMFYSA-N 0 0 337.379 3.143 10 5 EGBERN COc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c(F)c1 ZINC000488078956 311050328 /nfs/dbraw/zinc/05/03/28/311050328.db2.gz JKLXJWFKSNHKFC-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN Cn1c(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)ccc1[N+](=O)[O-] ZINC000488435508 311065415 /nfs/dbraw/zinc/06/54/15/311065415.db2.gz AFBLDSRYAXKMNK-UHFFFAOYSA-N 0 0 345.321 3.318 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000488787769 311079888 /nfs/dbraw/zinc/07/98/88/311079888.db2.gz AOCYSMMCBGWTDM-HOTGVXAUSA-N 0 0 340.445 3.229 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000488790514 311080139 /nfs/dbraw/zinc/08/01/39/311080139.db2.gz IPIOYPQZECTTHH-MNOVXSKESA-N 0 0 332.447 3.149 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488793233 311080186 /nfs/dbraw/zinc/08/01/86/311080186.db2.gz IIFWPLDRSYDQBZ-LSDHHAIUSA-N 0 0 326.418 3.088 10 5 EGBERN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1(C)CCCC1 ZINC000490596687 311146400 /nfs/dbraw/zinc/14/64/00/311146400.db2.gz XZRPBDQTYXUESD-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000490826989 311154152 /nfs/dbraw/zinc/15/41/52/311154152.db2.gz RLIURZJADUHJLA-NSHDSACASA-N 0 0 328.315 3.301 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000501094753 311938729 /nfs/dbraw/zinc/93/87/29/311938729.db2.gz OEFNJJMFCFAKJD-XHDPSFHLSA-N 0 0 335.404 3.127 10 5 EGBERN CC(C)(C)C1CC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000504852678 312011259 /nfs/dbraw/zinc/01/12/59/312011259.db2.gz MRXPTYFAHIVNGD-UHFFFAOYSA-N 0 0 329.400 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000512759011 312194462 /nfs/dbraw/zinc/19/44/62/312194462.db2.gz PWLHVLJALVXZIV-GRYCIOLGSA-N 0 0 344.458 3.294 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514867575 312251117 /nfs/dbraw/zinc/25/11/17/312251117.db2.gz KKLGSLFBUFUKQX-CABZTGNLSA-N 0 0 348.321 3.141 10 5 EGBERN COC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC(C)(C)O1 ZINC000517981398 312400416 /nfs/dbraw/zinc/40/04/16/312400416.db2.gz CFDGIESVWPIMCL-ZDUSSCGKSA-N 0 0 345.399 3.082 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOC(C)(C)C ZINC000519920040 312487546 /nfs/dbraw/zinc/48/75/46/312487546.db2.gz OLKFFGCNZDGHBO-LLVKDONJSA-N 0 0 326.418 3.007 10 5 EGBERN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000521439370 312546137 /nfs/dbraw/zinc/54/61/37/312546137.db2.gz GNEFDLYHCRMILK-SFHVURJKSA-N 0 0 343.358 3.366 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000523404019 312618047 /nfs/dbraw/zinc/61/80/47/312618047.db2.gz ZJRQRPFIJZUQEM-LLVKDONJSA-N 0 0 331.347 3.158 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)c(F)c1 ZINC000524699465 312672694 /nfs/dbraw/zinc/67/26/94/312672694.db2.gz OVWHYPKMCFAXJV-NSHDSACASA-N 0 0 343.358 3.391 10 5 EGBERN Cc1ccc(NCCCNC(=O)NC[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000525319823 312718973 /nfs/dbraw/zinc/71/89/73/312718973.db2.gz CQCRFLKVNMJBMQ-CQSZACIVSA-N 0 0 336.436 3.297 10 5 EGBERN COc1ccccc1OCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000531823386 313718248 /nfs/dbraw/zinc/71/82/48/313718248.db2.gz NQBQHQKVMQXYNB-UHFFFAOYSA-N 0 0 336.319 3.242 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000072287152 454284652 /nfs/dbraw/zinc/28/46/52/454284652.db2.gz AFRUZCLXMPQYAV-UHFFFAOYSA-N 0 0 329.200 3.311 10 5 EGBERN O=C(NCC1(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000534277222 313965130 /nfs/dbraw/zinc/96/51/30/313965130.db2.gz AHABBSLGJPNANI-UHFFFAOYSA-N 0 0 331.759 3.105 10 5 EGBERN CC[C@@H](CSC)N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000540207576 314370335 /nfs/dbraw/zinc/37/03/35/314370335.db2.gz AFAQQPPRQMYUNU-NSHDSACASA-N 0 0 326.418 3.268 10 5 EGBERN COc1ccc(CNC(=O)N(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000542260410 314530376 /nfs/dbraw/zinc/53/03/76/314530376.db2.gz YNRXBYZYHUCEOR-CYBMUJFWSA-N 0 0 333.388 3.101 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000542303222 314533584 /nfs/dbraw/zinc/53/35/84/314533584.db2.gz JYYBEDILWUQYIL-UGSOOPFHSA-N 0 0 347.415 3.325 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000542303221 314533703 /nfs/dbraw/zinc/53/37/03/314533703.db2.gz JYYBEDILWUQYIL-SCLBCKFNSA-N 0 0 347.415 3.325 10 5 EGBERN COC(=O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000543631045 314642138 /nfs/dbraw/zinc/64/21/38/314642138.db2.gz ZMNKJURODNPGPB-UHFFFAOYSA-N 0 0 328.368 3.078 10 5 EGBERN Cc1c(Cc2noc(-c3cccc4nccnc43)n2)cccc1[N+](=O)[O-] ZINC000545071275 314732732 /nfs/dbraw/zinc/73/27/32/314732732.db2.gz JSRPRAWFNOCCTF-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000552349506 315214890 /nfs/dbraw/zinc/21/48/90/315214890.db2.gz DMSFBFYSLSJSPS-OAHLLOKOSA-N 0 0 340.379 3.031 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000553442743 315263830 /nfs/dbraw/zinc/26/38/30/315263830.db2.gz YWFNARBAKRTSNH-UHFFFAOYSA-N 0 0 347.758 3.432 10 5 EGBERN CC1(C)CC[C@H]2C[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])c3cccc1c32 ZINC000554862888 315353307 /nfs/dbraw/zinc/35/33/07/315353307.db2.gz BYDJXOSFMTWYJR-HZMBPMFUSA-N 0 0 340.383 3.348 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000555044218 315363225 /nfs/dbraw/zinc/36/32/25/315363225.db2.gz JKBZNMJUDXSOQP-STQMWFEESA-N 0 0 329.404 3.356 10 5 EGBERN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000557939782 315542965 /nfs/dbraw/zinc/54/29/65/315542965.db2.gz BOCVSOZRHRDQIN-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN CCc1cccnc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558150031 315552800 /nfs/dbraw/zinc/55/28/00/315552800.db2.gz HKBAVGJFNVVNHU-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000562571391 315852967 /nfs/dbraw/zinc/85/29/67/315852967.db2.gz KCKRLHLCZOFGQB-ZDUSSCGKSA-N 0 0 344.367 3.017 10 5 EGBERN COC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000564366910 316143570 /nfs/dbraw/zinc/14/35/70/316143570.db2.gz CCEZGTXJJVITAL-NSHDSACASA-N 0 0 336.388 3.420 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)c1 ZINC000565209926 316290947 /nfs/dbraw/zinc/29/09/47/316290947.db2.gz UBMXDPVYDDWZRX-GFCCVEGCSA-N 0 0 329.331 3.067 10 5 EGBERN CC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000565684275 316356276 /nfs/dbraw/zinc/35/62/76/316356276.db2.gz QAHRBBWSXANZMI-CMPLNLGQSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2sc(Cl)cc2C1 ZINC000570214682 317022924 /nfs/dbraw/zinc/02/29/24/317022924.db2.gz AJUZCXGLFMGMKR-UHFFFAOYSA-N 0 0 336.800 3.437 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000573148857 317443613 /nfs/dbraw/zinc/44/36/13/317443613.db2.gz JMIJQLQCFCBYFU-GFCCVEGCSA-N 0 0 342.399 3.226 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171744957 323248997 /nfs/dbraw/zinc/24/89/97/323248997.db2.gz KSXLNNAXLATIMI-UONOGXRCSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000181935166 323513458 /nfs/dbraw/zinc/51/34/58/323513458.db2.gz ZULNDIZIUUIKBV-UHFFFAOYSA-N 0 0 342.399 3.410 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccccc1 ZINC000185786890 323711125 /nfs/dbraw/zinc/71/11/25/323711125.db2.gz CLCVGKAULCMFOM-UHFFFAOYSA-N 0 0 327.365 3.134 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000190533506 323796389 /nfs/dbraw/zinc/79/63/89/323796389.db2.gz YBVKZKDVNUWWOC-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350606963 324104537 /nfs/dbraw/zinc/10/45/37/324104537.db2.gz GOSMPGZRBRKLTO-MWLCHTKSSA-N 0 0 328.328 3.266 10 5 EGBERN COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c(F)c1 ZINC000350877688 324132748 /nfs/dbraw/zinc/13/27/48/324132748.db2.gz MHYPSNKMQPLSAX-UHFFFAOYSA-N 0 0 344.302 3.087 10 5 EGBERN Cc1ocnc1-c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000351017832 324154261 /nfs/dbraw/zinc/15/42/61/324154261.db2.gz BRTOMTSEMJFXKS-UHFFFAOYSA-N 0 0 338.226 3.210 10 5 EGBERN Cc1nc(C)c(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)o1 ZINC000351148045 324180847 /nfs/dbraw/zinc/18/08/47/324180847.db2.gz DAKALZLEMUXFFF-UHFFFAOYSA-N 0 0 341.327 3.275 10 5 EGBERN Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000389928594 324281224 /nfs/dbraw/zinc/28/12/24/324281224.db2.gz GLYSHAQEFHQLBV-UHFFFAOYSA-N 0 0 336.395 3.438 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@]12CCOC2 ZINC000311672776 456589172 /nfs/dbraw/zinc/58/91/72/456589172.db2.gz PRUNZARIDODFIF-CYBMUJFWSA-N 0 0 327.178 3.117 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]ccc1C1CC1 ZINC000578852966 325027830 /nfs/dbraw/zinc/02/78/30/325027830.db2.gz CKMRENSEIASSHP-UHFFFAOYSA-N 0 0 338.367 3.254 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCOCC12CCCCC2 ZINC000579441433 325110136 /nfs/dbraw/zinc/11/01/36/325110136.db2.gz PIFAQQCGUROCBZ-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000579738862 325153417 /nfs/dbraw/zinc/15/34/17/325153417.db2.gz DBKLSIOOSVUKLK-CVEARBPZSA-N 0 0 325.368 3.292 10 5 EGBERN COc1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000157915068 455248964 /nfs/dbraw/zinc/24/89/64/455248964.db2.gz UXPRFBJOHOUBAG-OAHLLOKOSA-N 0 0 334.397 3.238 10 5 EGBERN CCc1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000173354542 455272769 /nfs/dbraw/zinc/27/27/69/455272769.db2.gz XWEHEDFJTMKIJT-UHFFFAOYSA-N 0 0 326.352 3.369 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600669785 460561396 /nfs/dbraw/zinc/56/13/96/460561396.db2.gz FJWROKMMYPXWFH-UHFFFAOYSA-N 0 0 332.381 3.125 10 5 EGBERN CC(=O)c1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000000215107 452539711 /nfs/dbraw/zinc/53/97/11/452539711.db2.gz BMTDEODASKWSCC-UHFFFAOYSA-N 0 0 344.371 3.030 10 5 EGBERN O=C(CSc1ncnc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000003245879 452751856 /nfs/dbraw/zinc/75/18/56/452751856.db2.gz ZBTZAZMBBOCEIS-UHFFFAOYSA-N 0 0 340.364 3.269 10 5 EGBERN O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005943803 452912065 /nfs/dbraw/zinc/91/20/65/452912065.db2.gz BRCPJMYOXKZBNN-UHFFFAOYSA-N 0 0 325.284 3.289 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc([N+](=O)[O-])ccc1OC ZINC000006290793 452931482 /nfs/dbraw/zinc/93/14/82/452931482.db2.gz KLPZLLSNVHWEOU-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000600711372 460575011 /nfs/dbraw/zinc/57/50/11/460575011.db2.gz SROWNUDJNOYJEQ-SECBINFHSA-N 0 0 345.380 3.379 10 5 EGBERN COc1ccccc1CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007067368 453028044 /nfs/dbraw/zinc/02/80/44/453028044.db2.gz JDSDLIVNUQVYQK-CYBMUJFWSA-N 0 0 328.368 3.366 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000007074057 453030154 /nfs/dbraw/zinc/03/01/54/453030154.db2.gz JUNVSIJEWLEALY-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN CC(C)c1cc(Cl)ccc1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762349 460594403 /nfs/dbraw/zinc/59/44/03/460594403.db2.gz QUSHYARVLDUGIR-ZDUSSCGKSA-N 0 0 338.795 3.041 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600764571 460594571 /nfs/dbraw/zinc/59/45/71/460594571.db2.gz SDNOUONVIJICDD-UHFFFAOYSA-N 0 0 345.424 3.159 10 5 EGBERN COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000612333528 460597429 /nfs/dbraw/zinc/59/74/29/460597429.db2.gz BDWKKRYSGXAPPU-UHFFFAOYSA-N 0 0 330.344 3.055 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000014483506 453537663 /nfs/dbraw/zinc/53/76/63/453537663.db2.gz PIELWCCBVHAPCI-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600807002 460611221 /nfs/dbraw/zinc/61/12/21/460611221.db2.gz UJEZCLXPYMNCAA-JDGPPOGSSA-N 0 0 328.372 3.290 10 5 EGBERN CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000600809718 460612389 /nfs/dbraw/zinc/61/23/89/460612389.db2.gz CXMCTXUXRBHVRG-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1OCc1cc(=O)n2c(C)cccc2n1 ZINC000029750998 453831207 /nfs/dbraw/zinc/83/12/07/453831207.db2.gz CABWMNWVBQJRKD-UHFFFAOYSA-N 0 0 339.351 3.107 10 5 EGBERN CN(C1CCCCC1)S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000029944025 453832903 /nfs/dbraw/zinc/83/29/03/453832903.db2.gz XGDADBUHUDKZQZ-UHFFFAOYSA-N 0 0 348.808 3.136 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190738364 455375786 /nfs/dbraw/zinc/37/57/86/455375786.db2.gz SBSHUNPFDAURLW-LBPRGKRZSA-N 0 0 345.321 3.349 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066712924 453865867 /nfs/dbraw/zinc/86/58/67/453865867.db2.gz OPQVDXAVFZMNID-SUMWQHHRSA-N 0 0 326.352 3.197 10 5 EGBERN CC(C)NC(=O)Nc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066808853 453876067 /nfs/dbraw/zinc/87/60/67/453876067.db2.gz WZLLPJUPUVEBRU-UHFFFAOYSA-N 0 0 329.360 3.132 10 5 EGBERN COc1ccc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000066811708 453876570 /nfs/dbraw/zinc/87/65/70/453876570.db2.gz OIJJIUTZQMVDOC-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN COc1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1C(C)=O ZINC000181745726 455378716 /nfs/dbraw/zinc/37/87/16/455378716.db2.gz RQNQXSMUCDMYFO-UHFFFAOYSA-N 0 0 331.324 3.264 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000054125965 453912281 /nfs/dbraw/zinc/91/22/81/453912281.db2.gz BMGJLLQEWJUEOU-NSHDSACASA-N 0 0 329.356 3.188 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067504437 453936484 /nfs/dbraw/zinc/93/64/84/453936484.db2.gz ZITNOUWIGSDCPL-GJZGRUSLSA-N 0 0 326.352 3.279 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067512139 453937001 /nfs/dbraw/zinc/93/70/01/453937001.db2.gz VMJMDPFROCFNDX-WBVHZDCISA-N 0 0 337.379 3.455 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC000067513894 453937480 /nfs/dbraw/zinc/93/74/80/453937480.db2.gz LGKKBTNKIUSXLN-GOEBONIOSA-N 0 0 325.368 3.069 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067559965 453943616 /nfs/dbraw/zinc/94/36/16/453943616.db2.gz ASDCDQXPSAJJBJ-HUUCEWRRSA-N 0 0 329.331 3.089 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000054751779 453945041 /nfs/dbraw/zinc/94/50/41/453945041.db2.gz NZBVWROOCCCZOY-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000067649995 453953378 /nfs/dbraw/zinc/95/33/78/453953378.db2.gz JZSPOESOGIVIMG-SNVBAGLBSA-N 0 0 346.305 3.251 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067661743 453954204 /nfs/dbraw/zinc/95/42/04/453954204.db2.gz DORIAWRUIAYHDJ-KGLIPLIRSA-N 0 0 345.330 3.420 10 5 EGBERN Cc1nnc([C@H](C)Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000084114693 453970547 /nfs/dbraw/zinc/97/05/47/453970547.db2.gz AQEABOWTNPZRAX-JTQLQIEISA-N 0 0 340.343 3.225 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000055369484 453978774 /nfs/dbraw/zinc/97/87/74/453978774.db2.gz NXOGRSPMPNPQML-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000068165877 454003744 /nfs/dbraw/zinc/00/37/44/454003744.db2.gz JOWHJPONOMGYTO-OAHLLOKOSA-N 0 0 330.315 3.296 10 5 EGBERN CN(C(=O)c1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000042294273 454004291 /nfs/dbraw/zinc/00/42/91/454004291.db2.gz DJBGOGSUXOSAIY-UHFFFAOYSA-N 0 0 336.145 3.029 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000068221498 454009115 /nfs/dbraw/zinc/00/91/15/454009115.db2.gz SAERONHBUUCWNP-QGZVFWFLSA-N 0 0 342.399 3.162 10 5 EGBERN Cc1sc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000055976833 454030780 /nfs/dbraw/zinc/03/07/80/454030780.db2.gz HFEZRQLEHADQJA-UHFFFAOYSA-N 0 0 326.403 3.366 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000055972211 454030246 /nfs/dbraw/zinc/03/02/46/454030246.db2.gz MRRFIOOETYKZHJ-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000056108728 454038609 /nfs/dbraw/zinc/03/86/09/454038609.db2.gz NDQOOQRUGXZTAO-SNVBAGLBSA-N 0 0 340.426 3.313 10 5 EGBERN Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000068669785 454043386 /nfs/dbraw/zinc/04/33/86/454043386.db2.gz XSEDWNCKVLWDFH-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCO2 ZINC000087224120 454071490 /nfs/dbraw/zinc/07/14/90/454071490.db2.gz IOPZGCSVANWCNW-UHFFFAOYSA-N 0 0 326.352 3.491 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000077222688 454077427 /nfs/dbraw/zinc/07/74/27/454077427.db2.gz CQGSMUQKKVIFRI-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(OC)ccc2F)cc1[N+](=O)[O-] ZINC000088210415 454091678 /nfs/dbraw/zinc/09/16/78/454091678.db2.gz JJGAZPAQRYXUNA-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000077414236 454103409 /nfs/dbraw/zinc/10/34/09/454103409.db2.gz KSXHJIHIZJESFG-HNNXBMFYSA-N 0 0 327.340 3.467 10 5 EGBERN Cc1cc(N[C@H]2CCN(c3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000088751029 454118646 /nfs/dbraw/zinc/11/86/46/454118646.db2.gz GPFRJOHOEZRNBV-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cn2)cc1C ZINC000044799548 454119778 /nfs/dbraw/zinc/11/97/78/454119778.db2.gz MDSIOAZTECQBEF-LSDHHAIUSA-N 0 0 327.340 3.094 10 5 EGBERN CCOc1cc(NCCCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000089264957 454130958 /nfs/dbraw/zinc/13/09/58/454130958.db2.gz CGCFEUCLRACIIB-UHFFFAOYSA-N 0 0 332.404 3.389 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c(O)cccc1F ZINC000089493397 454156430 /nfs/dbraw/zinc/15/64/30/454156430.db2.gz NMFSEDRAPFNEQO-UHFFFAOYSA-N 0 0 329.287 3.102 10 5 EGBERN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000070039818 454165717 /nfs/dbraw/zinc/16/57/17/454165717.db2.gz KTZUDPAYFYAKBQ-AAEUAGOBSA-N 0 0 343.358 3.102 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccco1)C1CC1 ZINC000058172490 454167901 /nfs/dbraw/zinc/16/79/01/454167901.db2.gz WMPDLRXJBHPFKG-UHFFFAOYSA-N 0 0 329.356 3.099 10 5 EGBERN CCOc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130298747 454188469 /nfs/dbraw/zinc/18/84/69/454188469.db2.gz HLUHIRUJOLBCOF-UHFFFAOYSA-N 0 0 339.351 3.405 10 5 EGBERN CN(Cc1nc2cccnc2[nH]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000071797098 454219336 /nfs/dbraw/zinc/21/93/36/454219336.db2.gz FNKGUTUUWDPNQL-UHFFFAOYSA-N 0 0 331.763 3.152 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000095963478 454240683 /nfs/dbraw/zinc/24/06/83/454240683.db2.gz SOPUMWSYSRNXBA-UHFFFAOYSA-N 0 0 349.774 3.332 10 5 EGBERN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)c1c[nH]c2ccccc12 ZINC000131434889 454253969 /nfs/dbraw/zinc/25/39/69/454253969.db2.gz LXQPXUMXPSVENY-UHFFFAOYSA-N 0 0 335.363 3.317 10 5 EGBERN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000072302975 454292103 /nfs/dbraw/zinc/29/21/03/454292103.db2.gz RSSMTSZYEOKSET-QWHCGFSZSA-N 0 0 333.731 3.131 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000120406360 454297211 /nfs/dbraw/zinc/29/72/11/454297211.db2.gz NDFFPCYGAKVAKM-GFCCVEGCSA-N 0 0 334.763 3.086 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072513872 454301136 /nfs/dbraw/zinc/30/11/36/454301136.db2.gz JPIZZMDVGRXINC-UHFFFAOYSA-N 0 0 334.353 3.394 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072545366 454307176 /nfs/dbraw/zinc/30/71/76/454307176.db2.gz WZPZPKXGLJTCBA-QWHCGFSZSA-N 0 0 342.399 3.256 10 5 EGBERN CC[C@H](NC(=O)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466118 454309385 /nfs/dbraw/zinc/30/93/85/454309385.db2.gz YTRFBMMAVZLNFD-KRWDZBQOSA-N 0 0 328.368 3.413 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000047265276 454348647 /nfs/dbraw/zinc/34/86/47/454348647.db2.gz PIFVALRPLDOUBU-UHFFFAOYSA-N 0 0 347.440 3.125 10 5 EGBERN O=C(NCC1CCCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000079075876 454363623 /nfs/dbraw/zinc/36/36/23/454363623.db2.gz PMVHFSJTSGVHLS-UHFFFAOYSA-N 0 0 346.431 3.007 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)NC1CCCCCC1 ZINC000096911726 454382714 /nfs/dbraw/zinc/38/27/14/454382714.db2.gz ZXPLSDUEHYJMSL-FPLPWBNLSA-N 0 0 346.383 3.314 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1C ZINC000063186831 454395479 /nfs/dbraw/zinc/39/54/79/454395479.db2.gz DIXCLWPGWBTCIF-LSDHHAIUSA-N 0 0 346.408 3.046 10 5 EGBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091163245 454397544 /nfs/dbraw/zinc/39/75/44/454397544.db2.gz NPKAGZREIPVUSF-OCCSQVGLSA-N 0 0 349.387 3.147 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000073362137 454428336 /nfs/dbraw/zinc/42/83/36/454428336.db2.gz AJZXNBGQSUNXEZ-UHFFFAOYSA-N 0 0 333.369 3.200 10 5 EGBERN CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Nc1ccccc1 ZINC000091425558 454432895 /nfs/dbraw/zinc/43/28/95/454432895.db2.gz WUFGNUCLXWDJTK-AWEZNQCLSA-N 0 0 340.387 3.186 10 5 EGBERN CC(C)Cc1ccc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000097681386 454443402 /nfs/dbraw/zinc/44/34/02/454443402.db2.gz DLIZPYFGTZHUNH-AWEZNQCLSA-N 0 0 344.415 3.257 10 5 EGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000133681102 454454359 /nfs/dbraw/zinc/45/43/59/454454359.db2.gz MGIKOYGDOABYSS-HNNXBMFYSA-N 0 0 348.399 3.422 10 5 EGBERN C[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612477866 460637803 /nfs/dbraw/zinc/63/78/03/460637803.db2.gz LJSZPHRWZDMPQF-NWDGAFQWSA-N 0 0 331.347 3.152 10 5 EGBERN CCc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064242039 454468960 /nfs/dbraw/zinc/46/89/60/454468960.db2.gz SXYDGKRNFZPPMW-UHFFFAOYSA-N 0 0 340.426 3.039 10 5 EGBERN COc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1[N+](=O)[O-] ZINC000091834194 454479589 /nfs/dbraw/zinc/47/95/89/454479589.db2.gz ZJVGTMNHUUYCSO-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246221481 455451764 /nfs/dbraw/zinc/45/17/64/455451764.db2.gz DOJAURZXCOCOKH-NIKGAXFTSA-N 0 0 342.395 3.090 10 5 EGBERN Cc1cc(NCCc2nccs2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065230924 454540884 /nfs/dbraw/zinc/54/08/84/454540884.db2.gz YVLQSZIYEVWGCA-UHFFFAOYSA-N 0 0 341.396 3.471 10 5 EGBERN CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134565335 454561123 /nfs/dbraw/zinc/56/11/23/454561123.db2.gz YDYKRSLNXYYXIM-LLVKDONJSA-N 0 0 332.447 3.246 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000104461163 454587725 /nfs/dbraw/zinc/58/77/25/454587725.db2.gz HHCVXMIZRIXBQJ-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cn3c(cccc3C)n2)c1 ZINC000080637002 454610367 /nfs/dbraw/zinc/61/03/67/454610367.db2.gz LGPSRBYOOXUZCG-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000074662476 454614945 /nfs/dbraw/zinc/61/49/45/454614945.db2.gz WWKDFWNKNSSMJF-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](CO)c2ccc(Cl)cc2)nc2sccn21 ZINC000092961063 454659388 /nfs/dbraw/zinc/65/93/88/454659388.db2.gz VTYQJXALVQXPRK-SNVBAGLBSA-N 0 0 338.776 3.103 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCc4ccc(F)cc43)nn21 ZINC000092976543 454663926 /nfs/dbraw/zinc/66/39/26/454663926.db2.gz KXDFCNNURVRIRX-CYBMUJFWSA-N 0 0 327.319 3.266 10 5 EGBERN Cn1nccc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000124185809 454703741 /nfs/dbraw/zinc/70/37/41/454703741.db2.gz GLPQFSIWCGGFKM-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(=O)c1csc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000106614786 454706604 /nfs/dbraw/zinc/70/66/04/454706604.db2.gz VVJJPKONBSVKPR-VIFPVBQESA-N 0 0 330.365 3.450 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccs2)C1 ZINC000161908507 454735000 /nfs/dbraw/zinc/73/50/00/454735000.db2.gz KSLCSPGORLVBOW-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000107158882 454744388 /nfs/dbraw/zinc/74/43/88/454744388.db2.gz BFLGIKVVTFZFSE-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(C3CCCC3)no1)C2 ZINC000153095511 454759539 /nfs/dbraw/zinc/75/95/39/454759539.db2.gz CAXZWKUEMORLBW-UHFFFAOYSA-N 0 0 328.372 3.194 10 5 EGBERN COc1ccc([N+](=O)[O-])c(CCc2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000137052724 454767588 /nfs/dbraw/zinc/76/75/88/454767588.db2.gz WYWJJQVUWDHBTL-UHFFFAOYSA-N 0 0 332.312 3.305 10 5 EGBERN COC(=O)c1cc(N(Cc2cccnc2)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000153178179 454767557 /nfs/dbraw/zinc/76/75/57/454767557.db2.gz OUVKUIPACAXFOJ-UHFFFAOYSA-N 0 0 341.367 3.254 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176683533 454771735 /nfs/dbraw/zinc/77/17/35/454771735.db2.gz UFRFKNHFRGXIIY-XJKSGUPXSA-N 0 0 335.404 3.114 10 5 EGBERN O=c1sc2ccccc2n1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153557856 454806679 /nfs/dbraw/zinc/80/66/79/454806679.db2.gz WXOPQUQDPFSEMQ-UHFFFAOYSA-N 0 0 330.365 3.440 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000141226746 454827861 /nfs/dbraw/zinc/82/78/61/454827861.db2.gz ZAYBAYOUNDFZSY-HNNXBMFYSA-N 0 0 344.415 3.406 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153764526 454829965 /nfs/dbraw/zinc/82/99/65/454829965.db2.gz HAZCPPBIZOWQTO-UHFFFAOYSA-N 0 0 342.783 3.065 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000125796241 454848295 /nfs/dbraw/zinc/84/82/95/454848295.db2.gz IEJBAUFIOQRMPC-GFCCVEGCSA-N 0 0 346.358 3.471 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150794979 454893817 /nfs/dbraw/zinc/89/38/17/454893817.db2.gz LMMVHDFLDULAIP-SJORKVTESA-N 0 0 346.427 3.334 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000127463162 454967414 /nfs/dbraw/zinc/96/74/14/454967414.db2.gz OZFURZVNLRHQNL-UGAXZCSASA-N 0 0 342.351 3.110 10 5 EGBERN COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000151404619 454980723 /nfs/dbraw/zinc/98/07/23/454980723.db2.gz ALGIGLJUCBJXOI-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178932157 454991229 /nfs/dbraw/zinc/99/12/29/454991229.db2.gz AABIJPIVPHRWPU-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151529172 454997084 /nfs/dbraw/zinc/99/70/84/454997084.db2.gz VZERRVODNSYCOI-CXAGYDPISA-N 0 0 333.388 3.062 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000155518377 455011061 /nfs/dbraw/zinc/01/10/61/455011061.db2.gz GLKGFNRSJYWCOB-ZDUSSCGKSA-N 0 0 336.388 3.163 10 5 EGBERN CCC[C@H]1CN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000179263159 455025707 /nfs/dbraw/zinc/02/57/07/455025707.db2.gz YRYIJULBTCDNKE-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccccc3Cl)o2)c1=O ZINC000155791110 455046127 /nfs/dbraw/zinc/04/61/27/455046127.db2.gz IUKJJYBBPPBZSI-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC1CC1 ZINC000155931432 455063790 /nfs/dbraw/zinc/06/37/90/455063790.db2.gz MWWCRMMWATXRBB-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000172092884 455120689 /nfs/dbraw/zinc/12/06/89/455120689.db2.gz DRXFSMQFIIBSLR-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCOCC1 ZINC000129789352 455125773 /nfs/dbraw/zinc/12/57/73/455125773.db2.gz ZGHHWAJFWBDAPR-CYBMUJFWSA-N 0 0 332.400 3.149 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733210 455147601 /nfs/dbraw/zinc/14/76/01/455147601.db2.gz BHPDUJSAEZZOTB-LBPRGKRZSA-N 0 0 326.418 3.210 10 5 EGBERN Cc1nc(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cs1 ZINC000600982237 460664831 /nfs/dbraw/zinc/66/48/31/460664831.db2.gz QTAMRVCEZZHJPL-UHFFFAOYSA-N 0 0 345.424 3.140 10 5 EGBERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000180287321 455155134 /nfs/dbraw/zinc/15/51/34/455155134.db2.gz LAAAFKVPWHGMNW-XPKDYRNWSA-N 0 0 338.429 3.078 10 5 EGBERN COC(=O)c1cc(NCc2ccc([C@@H](C)O)cc2)cc(C)c1[N+](=O)[O-] ZINC000180426699 455167948 /nfs/dbraw/zinc/16/79/48/455167948.db2.gz STSSYHDKKIHRKX-GFCCVEGCSA-N 0 0 344.367 3.355 10 5 EGBERN COc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000173533891 455301978 /nfs/dbraw/zinc/30/19/78/455301978.db2.gz MLJBQHWWTTWJOQ-HNNXBMFYSA-N 0 0 343.383 3.309 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000173549463 455303462 /nfs/dbraw/zinc/30/34/62/455303462.db2.gz YSBSNBDGDSDPSM-KRWDZBQOSA-N 0 0 327.384 3.230 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173587432 455311348 /nfs/dbraw/zinc/31/13/48/455311348.db2.gz FGGIFEXAFFDHGX-AWEZNQCLSA-N 0 0 345.424 3.308 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000183632167 455314650 /nfs/dbraw/zinc/31/46/50/455314650.db2.gz SKXDMNSUYCNQJD-INIZCTEOSA-N 0 0 339.395 3.336 10 5 EGBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000173969692 455346147 /nfs/dbraw/zinc/34/61/47/455346147.db2.gz BJIZEOFZCTZYGL-HZMBPMFUSA-N 0 0 338.410 3.038 10 5 EGBERN Cc1csc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184086 455359234 /nfs/dbraw/zinc/35/92/34/455359234.db2.gz ZBLHPYWKNXROJK-MNOVXSKESA-N 0 0 334.401 3.038 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000184477702 455386937 /nfs/dbraw/zinc/38/69/37/455386937.db2.gz ZKQAXXFDZHAMNY-HNNXBMFYSA-N 0 0 343.383 3.109 10 5 EGBERN O=[N+]([O-])c1ccc(SCc2noc(Cc3ccccc3)n2)nc1 ZINC000159629484 455389961 /nfs/dbraw/zinc/38/99/61/455389961.db2.gz HJBIJIRJKMYWSB-UHFFFAOYSA-N 0 0 328.353 3.256 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174474022 455395813 /nfs/dbraw/zinc/39/58/13/455395813.db2.gz OPZPCIDJVTZCCR-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)c1 ZINC000181965874 455405896 /nfs/dbraw/zinc/40/58/96/455405896.db2.gz PSXSNACCRDSUPJ-CQSZACIVSA-N 0 0 339.395 3.424 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175429710 455447613 /nfs/dbraw/zinc/44/76/13/455447613.db2.gz UGXPDPWCPHUCEH-CYBMUJFWSA-N 0 0 348.790 3.058 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(C)C)cc2)n1 ZINC000191497076 455491329 /nfs/dbraw/zinc/49/13/29/455491329.db2.gz LMATTXIZDQVTKX-UHFFFAOYSA-N 0 0 330.388 3.207 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000191572860 455498708 /nfs/dbraw/zinc/49/87/08/455498708.db2.gz HDOUFSTUBZPIKF-QMMMGPOBSA-N 0 0 340.742 3.095 10 5 EGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000191632750 455505733 /nfs/dbraw/zinc/50/57/33/455505733.db2.gz YLXBVTWPXUJRRI-OAHLLOKOSA-N 0 0 344.415 3.297 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)n1 ZINC000191715071 455513185 /nfs/dbraw/zinc/51/31/85/455513185.db2.gz YQGLLOIJJLAYKL-SFHVURJKSA-N 0 0 342.399 3.049 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000191798672 455521532 /nfs/dbraw/zinc/52/15/32/455521532.db2.gz RONFSFUTRAOXAT-OAHLLOKOSA-N 0 0 342.399 3.221 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2NC(C)C)n1 ZINC000191834179 455524355 /nfs/dbraw/zinc/52/43/55/455524355.db2.gz RMGVYONFFDQDPN-UHFFFAOYSA-N 0 0 335.339 3.023 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000161112411 455535015 /nfs/dbraw/zinc/53/50/15/455535015.db2.gz OXARQHLTZQQHAE-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CC[C@@H](NC(=O)NCC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000267307392 455536250 /nfs/dbraw/zinc/53/62/50/455536250.db2.gz BNUFEVFOHBTGSL-MRXNPFEDSA-N 0 0 349.431 3.288 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000185600234 455583268 /nfs/dbraw/zinc/58/32/68/455583268.db2.gz MNOVJYDYBDFPBM-DZGCQCFKSA-N 0 0 337.420 3.013 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277550208 455595025 /nfs/dbraw/zinc/59/50/25/455595025.db2.gz XOTOGDQDUANVBB-ZETCQYMHSA-N 0 0 338.232 3.288 10 5 EGBERN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516422 455634880 /nfs/dbraw/zinc/63/48/80/455634880.db2.gz BVADKHRYRXAPHZ-YPMHNXCESA-N 0 0 340.355 3.187 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247968373 455662071 /nfs/dbraw/zinc/66/20/71/455662071.db2.gz FDOQRLDEEQDNMO-BBRMVZONSA-N 0 0 345.424 3.140 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000192686916 455669576 /nfs/dbraw/zinc/66/95/76/455669576.db2.gz IQHIRSFCSLGZDF-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000292548351 455693049 /nfs/dbraw/zinc/69/30/49/455693049.db2.gz NAHRCRIQWSEOGI-GXTWGEPZSA-N 0 0 336.413 3.138 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000292548357 455693108 /nfs/dbraw/zinc/69/31/08/455693108.db2.gz NAHRCRIQWSEOGI-JSGCOSHPSA-N 0 0 336.413 3.138 10 5 EGBERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248851868 455734436 /nfs/dbraw/zinc/73/44/36/455734436.db2.gz QCNQSEXYZFXEDO-ZBINZKHDSA-N 0 0 338.791 3.022 10 5 EGBERN C[N@@H+]1CCC[C@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292707425 455736885 /nfs/dbraw/zinc/73/68/85/455736885.db2.gz GLQAHOGZMSNABL-SFHVURJKSA-N 0 0 326.400 3.065 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000278159004 455773088 /nfs/dbraw/zinc/77/30/88/455773088.db2.gz CXWFADWHLOONRG-VIFPVBQESA-N 0 0 327.344 3.331 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000193950195 455788117 /nfs/dbraw/zinc/78/81/17/455788117.db2.gz OVJTTZYDEGTXSO-LLVKDONJSA-N 0 0 333.344 3.065 10 5 EGBERN CCC[C@H](CCO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278279060 455804861 /nfs/dbraw/zinc/80/48/61/455804861.db2.gz BBILBYSZWGKVHS-LLVKDONJSA-N 0 0 328.796 3.085 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000252452944 455805409 /nfs/dbraw/zinc/80/54/09/455805409.db2.gz PWKGYMOFCJXUKO-DZGCQCFKSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCOC1 ZINC000278283472 455806137 /nfs/dbraw/zinc/80/61/37/455806137.db2.gz ZEKNKCCFNARWLG-QWHCGFSZSA-N 0 0 336.391 3.248 10 5 EGBERN CCC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000278288103 455808094 /nfs/dbraw/zinc/80/80/94/455808094.db2.gz BPQMZMYTHRKDQS-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN CCc1ccc([C@@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000253417056 455842439 /nfs/dbraw/zinc/84/24/39/455842439.db2.gz SIBNPWDYINFSFE-ZDUSSCGKSA-N 0 0 346.387 3.241 10 5 EGBERN COC(=O)c1cc(NCCCc2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000269375367 455845720 /nfs/dbraw/zinc/84/57/20/455845720.db2.gz NOAAKTBYIQQUCW-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CCC(CC)N(C(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000280074103 455885791 /nfs/dbraw/zinc/88/57/91/455885791.db2.gz VJHKIDILRQGQNM-UHFFFAOYSA-N 0 0 330.388 3.472 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000272341320 455919641 /nfs/dbraw/zinc/91/96/41/455919641.db2.gz MQWCQCMQSSAINU-DZGCQCFKSA-N 0 0 335.404 3.164 10 5 EGBERN Cc1sc(C(=O)N2CCC=C(c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000285849567 455928474 /nfs/dbraw/zinc/92/84/74/455928474.db2.gz PMIWRLSUMWTTPQ-UHFFFAOYSA-N 0 0 329.381 3.289 10 5 EGBERN CC(F)(F)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296422721 455934606 /nfs/dbraw/zinc/93/46/06/455934606.db2.gz LRBAZGDZQOMLMD-UHFFFAOYSA-N 0 0 335.738 3.483 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000195375310 455952943 /nfs/dbraw/zinc/95/29/43/455952943.db2.gz VRDAGYSZZOIUGQ-OAHLLOKOSA-N 0 0 346.387 3.317 10 5 EGBERN CC(C)c1ccc(C(=O)N(C)c2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000187845876 455960565 /nfs/dbraw/zinc/96/05/65/455960565.db2.gz HBOIDYZHIIFUEA-UHFFFAOYSA-N 0 0 342.399 3.456 10 5 EGBERN CCc1nnc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000270742216 456028451 /nfs/dbraw/zinc/02/84/51/456028451.db2.gz VGCZKTMVVSFISA-ZETCQYMHSA-N 0 0 340.181 3.211 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000296761084 456030896 /nfs/dbraw/zinc/03/08/96/456030896.db2.gz CQGZOZKPIIGSHV-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000296761087 456031121 /nfs/dbraw/zinc/03/11/21/456031121.db2.gz CQGZOZKPIIGSHV-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN CO[C@@H](C)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000188291698 456036840 /nfs/dbraw/zinc/03/68/40/456036840.db2.gz YFNDLCDWNSAXKU-STQMWFEESA-N 0 0 343.383 3.492 10 5 EGBERN Cc1ncsc1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000296791311 456038883 /nfs/dbraw/zinc/03/88/83/456038883.db2.gz FISKIRRLWPLIOU-UHFFFAOYSA-N 0 0 339.804 3.294 10 5 EGBERN C[C@@H]1CCCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)C1 ZINC000301277409 456079168 /nfs/dbraw/zinc/07/91/68/456079168.db2.gz WWJZQFAMXKGPSW-CYBMUJFWSA-N 0 0 327.388 3.233 10 5 EGBERN CC(C)C(=O)Nc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601101446 460711064 /nfs/dbraw/zinc/71/10/64/460711064.db2.gz NRLRRHLNKQEFEL-UHFFFAOYSA-N 0 0 332.335 3.336 10 5 EGBERN CO[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC000601103183 460711167 /nfs/dbraw/zinc/71/11/67/460711167.db2.gz OENRJYSKXJQGGG-JTQLQIEISA-N 0 0 344.293 3.147 10 5 EGBERN Cc1c(Br)c(NCC2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000227705462 456116569 /nfs/dbraw/zinc/11/65/69/456116569.db2.gz LHXRBKFJVGHIQW-UHFFFAOYSA-N 0 0 344.209 3.024 10 5 EGBERN CCOc1cc(N[C@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000301561971 456146877 /nfs/dbraw/zinc/14/68/77/456146877.db2.gz IPXSWZWOUUYNCW-LLVKDONJSA-N 0 0 332.404 3.387 10 5 EGBERN Cc1nn(CCC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263650807 456181276 /nfs/dbraw/zinc/18/12/76/456181276.db2.gz GUCAUOCCWDJFGC-CYBMUJFWSA-N 0 0 330.388 3.018 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301750847 456205589 /nfs/dbraw/zinc/20/55/89/456205589.db2.gz URTGMOYVUNNGSR-GXFFZTMASA-N 0 0 344.396 3.132 10 5 EGBERN Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000301870015 456237906 /nfs/dbraw/zinc/23/79/06/456237906.db2.gz FIUFHNCHQSBWHZ-MRXNPFEDSA-N 0 0 331.347 3.324 10 5 EGBERN COC(=O)CC1(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000189153839 456241621 /nfs/dbraw/zinc/24/16/21/456241621.db2.gz PNKJUIGQOLHATP-CYBMUJFWSA-N 0 0 348.399 3.286 10 5 EGBERN Cc1cc(NCc2ccnc(O[C@@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000301897022 456244294 /nfs/dbraw/zinc/24/42/94/456244294.db2.gz QUIRYPKEQKQTCL-OAHLLOKOSA-N 0 0 329.356 3.078 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1=O ZINC000281509601 456252140 /nfs/dbraw/zinc/25/21/40/456252140.db2.gz HRQWZSOATYWNKV-LBPRGKRZSA-N 0 0 334.375 3.145 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCCC[C@H]32)cc1OC(F)F ZINC000301969125 456261849 /nfs/dbraw/zinc/26/18/49/456261849.db2.gz ZTSOWOHBLVFVSO-YPMHNXCESA-N 0 0 328.315 3.344 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1F ZINC000297650727 456270939 /nfs/dbraw/zinc/27/09/39/456270939.db2.gz BCYIGVLJMNDBSM-RISCZKNCSA-N 0 0 328.290 3.160 10 5 EGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281586620 456271082 /nfs/dbraw/zinc/27/10/82/456271082.db2.gz SZMGAXHHWSBGEO-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601136220 460726230 /nfs/dbraw/zinc/72/62/30/460726230.db2.gz AZGSRYXKWPTKLK-BMIGLBTASA-N 0 0 335.335 3.326 10 5 EGBERN CC[C@@H](NC(=O)NCc1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000297944050 456328958 /nfs/dbraw/zinc/32/89/58/456328958.db2.gz MEAXNWFPOAATJQ-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000342955805 456337113 /nfs/dbraw/zinc/33/71/13/456337113.db2.gz YVOZOAOTRXHOLZ-BAESOJJISA-N 0 0 335.404 3.015 10 5 EGBERN COc1ccc(F)cc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302402731 456340799 /nfs/dbraw/zinc/34/07/99/456340799.db2.gz FZZRGRPNWDBCKB-UHFFFAOYSA-N 0 0 344.302 3.003 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000302417267 456341464 /nfs/dbraw/zinc/34/14/64/456341464.db2.gz MIACGFYLOSSPDH-VUDGCMKMSA-N 0 0 334.372 3.151 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000275909815 456348752 /nfs/dbraw/zinc/34/87/52/456348752.db2.gz VZLRIJIQTKHNDP-OCCSQVGLSA-N 0 0 340.807 3.490 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000298092784 456362897 /nfs/dbraw/zinc/36/28/97/456362897.db2.gz ZVZGZEVRCJBVDO-IUODEOHRSA-N 0 0 329.356 3.287 10 5 EGBERN CCC(CC)n1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347795245 456372053 /nfs/dbraw/zinc/37/20/53/456372053.db2.gz LAOZTYODQKFMOR-UHFFFAOYSA-N 0 0 329.404 3.106 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCNc1ncnc2c(F)cccc12 ZINC000302784579 456400491 /nfs/dbraw/zinc/40/04/91/456400491.db2.gz URVFQOAHYSEIOW-UHFFFAOYSA-N 0 0 327.319 3.201 10 5 EGBERN C[C@@](CO)(NCc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601150074 460732350 /nfs/dbraw/zinc/73/23/50/460732350.db2.gz UCFMVUVBAIEAHB-INIZCTEOSA-N 0 0 338.766 3.385 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC2(CCCCC2)CC1 ZINC000302789022 456401514 /nfs/dbraw/zinc/40/15/14/456401514.db2.gz XQWKQLYXNLZJIP-UHFFFAOYSA-N 0 0 332.404 3.030 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000298242699 456402544 /nfs/dbraw/zinc/40/25/44/456402544.db2.gz JDUHEWCOTJDPMG-ZYHUDNBSSA-N 0 0 334.397 3.090 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000343095239 456403832 /nfs/dbraw/zinc/40/38/32/456403832.db2.gz IXYHPAORFHOBSS-UHFFFAOYSA-N 0 0 347.415 3.037 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000340348026 456407024 /nfs/dbraw/zinc/40/70/24/456407024.db2.gz XZUVLIZZQAJXNW-KRWDZBQOSA-N 0 0 340.383 3.283 10 5 EGBERN COc1cccc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000302848397 456416205 /nfs/dbraw/zinc/41/62/05/456416205.db2.gz HQMPWWSUOQQNEU-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN CC(=O)c1cc(NCc2ccnc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000343147780 456434359 /nfs/dbraw/zinc/43/43/59/456434359.db2.gz JNXODDGLVBCUIO-UHFFFAOYSA-N 0 0 337.282 3.406 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340399963 456437429 /nfs/dbraw/zinc/43/74/29/456437429.db2.gz GXIWPDJMTAEBCO-QGZVFWFLSA-N 0 0 325.368 3.433 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1CC(=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000353064480 456469886 /nfs/dbraw/zinc/46/98/86/456469886.db2.gz XKQIHEPDKZGWAM-LBPRGKRZSA-N 0 0 338.363 3.144 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000340541682 456522595 /nfs/dbraw/zinc/52/25/95/456522595.db2.gz KVDZKHQTWIGLGG-VIFPVBQESA-N 0 0 330.369 3.332 10 5 EGBERN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1-c1ccccc1 ZINC000340573593 456537768 /nfs/dbraw/zinc/53/77/68/456537768.db2.gz MUMVCQGRPONKRA-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cccn2)c1 ZINC000337957086 456621729 /nfs/dbraw/zinc/62/17/29/456621729.db2.gz KWCSZIXXGKUSIF-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H](O)CC(C)(C)C ZINC000291566276 456681979 /nfs/dbraw/zinc/68/19/79/456681979.db2.gz YNWDZLUTMIRCIR-CYBMUJFWSA-N 0 0 342.823 3.394 10 5 EGBERN COc1ccc(CNC(=O)N2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000340832280 456707105 /nfs/dbraw/zinc/70/71/05/456707105.db2.gz UHEWOEFPDCWATF-LBPRGKRZSA-N 0 0 341.367 3.390 10 5 EGBERN Cc1nc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2o1 ZINC000348524635 456736467 /nfs/dbraw/zinc/73/64/67/456736467.db2.gz DEZTZQUEHBWJLV-UHFFFAOYSA-N 0 0 325.324 3.283 10 5 EGBERN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1ccncc1[N+](=O)[O-] ZINC000340898313 456748297 /nfs/dbraw/zinc/74/82/97/456748297.db2.gz HGCFXCJIBXGKTJ-HNNXBMFYSA-N 0 0 332.381 3.175 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(OC2CCCC2)cc1 ZINC000301107864 456798599 /nfs/dbraw/zinc/79/85/99/456798599.db2.gz TVYZTAIDEIPTJD-UHFFFAOYSA-N 0 0 342.355 3.154 10 5 EGBERN C[C@H](COc1ccc(F)cc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301109643 456799377 /nfs/dbraw/zinc/79/93/77/456799377.db2.gz RRNRJQXDPXCKKM-SECBINFHSA-N 0 0 336.348 3.323 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610006 456802270 /nfs/dbraw/zinc/80/22/70/456802270.db2.gz VKPUIFDFRPNBSG-HZPDHXFCSA-N 0 0 326.400 3.340 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CCN1c1ccccc1 ZINC000301170271 456811999 /nfs/dbraw/zinc/81/19/99/456811999.db2.gz GGZYWQNFYAETCC-OAHLLOKOSA-N 0 0 331.759 3.466 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC(O)(C(F)(F)F)CC1 ZINC000291963377 456813101 /nfs/dbraw/zinc/81/31/01/456813101.db2.gz OIZXVSVKNIZLIZ-UHFFFAOYSA-N 0 0 341.289 3.037 10 5 EGBERN C[C@@H](O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292005592 456826863 /nfs/dbraw/zinc/82/68/63/456826863.db2.gz TWUZZMCWMLHVIN-MRVPVSSYSA-N 0 0 347.198 3.135 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341289789 456834708 /nfs/dbraw/zinc/83/47/08/456834708.db2.gz MTCHVBBJECRFEV-RYUDHWBXSA-N 0 0 332.331 3.379 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] ZINC000341308027 456839993 /nfs/dbraw/zinc/83/99/93/456839993.db2.gz WOYDFBHXDUKWHK-UHFFFAOYSA-N 0 0 330.296 3.080 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccc(F)cc21 ZINC000341646372 456883351 /nfs/dbraw/zinc/88/33/51/456883351.db2.gz UACVGOCAMCCOJF-UHFFFAOYSA-N 0 0 336.269 3.144 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nccs1 ZINC000348962282 456890642 /nfs/dbraw/zinc/89/06/42/456890642.db2.gz OEQXSZNNEMKIRI-GFCCVEGCSA-N 0 0 330.369 3.414 10 5 EGBERN Cc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341774763 456938140 /nfs/dbraw/zinc/93/81/40/456938140.db2.gz RFKLWKXGADPTPG-LBPRGKRZSA-N 0 0 338.367 3.130 10 5 EGBERN C[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000345138400 456938693 /nfs/dbraw/zinc/93/86/93/456938693.db2.gz VGLQLDLZHAWBSA-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN CCOc1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344261 456947457 /nfs/dbraw/zinc/94/74/57/456947457.db2.gz RLYRBPJVZXIIEY-SMDDNHRTSA-N 0 0 336.413 3.439 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1NC(C)=O ZINC000341806852 456952246 /nfs/dbraw/zinc/95/22/46/456952246.db2.gz CFUBGIHNQCEEHO-UHFFFAOYSA-N 0 0 349.368 3.184 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CC(C)C ZINC000353928644 456969410 /nfs/dbraw/zinc/96/94/10/456969410.db2.gz HGZMSLGJYVMXIP-UHFFFAOYSA-N 0 0 345.403 3.331 10 5 EGBERN Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C2CC2)n1 ZINC000339202197 456989574 /nfs/dbraw/zinc/98/95/74/456989574.db2.gz HVPVGLMDVYYBLM-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1c1cccc(F)c1 ZINC000349606318 456994349 /nfs/dbraw/zinc/99/43/49/456994349.db2.gz AXVMIMQNMBXRET-BDJLRTHQSA-N 0 0 331.347 3.296 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356471231 457006959 /nfs/dbraw/zinc/00/69/59/457006959.db2.gz CGZSNAYEFNREBD-XJKSGUPXSA-N 0 0 332.381 3.125 10 5 EGBERN O=C(C/C=C\c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000349667621 457011940 /nfs/dbraw/zinc/01/19/40/457011940.db2.gz NBJJJOZLSNWUIX-UPHRSURJSA-N 0 0 341.342 3.117 10 5 EGBERN CC1(C)Oc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2O1 ZINC000346146676 457020043 /nfs/dbraw/zinc/02/00/43/457020043.db2.gz DYXYCHPEJGWETO-UHFFFAOYSA-N 0 0 330.296 3.060 10 5 EGBERN CCOC(=O)c1nnc(Sc2cc(C)ccc2[N+](=O)[O-])s1 ZINC000362661243 457032046 /nfs/dbraw/zinc/03/20/46/457032046.db2.gz DAAMGEWOASASMZ-UHFFFAOYSA-N 0 0 325.371 3.083 10 5 EGBERN CNC(=O)CCCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356743982 457145858 /nfs/dbraw/zinc/14/58/58/457145858.db2.gz XIPQOBUZDKTJNT-UHFFFAOYSA-N 0 0 335.404 3.137 10 5 EGBERN C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342246983 457189011 /nfs/dbraw/zinc/18/90/11/457189011.db2.gz GKKAVMOYCSDQDD-BXUZGUMPSA-N 0 0 347.415 3.136 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c1[N+](=O)[O-] ZINC000363005144 457192926 /nfs/dbraw/zinc/19/29/26/457192926.db2.gz URVHEQXQGIKEPR-UHFFFAOYSA-N 0 0 341.327 3.096 10 5 EGBERN COC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000339688782 457214504 /nfs/dbraw/zinc/21/45/04/457214504.db2.gz XVZDVIISQKGALN-OAHLLOKOSA-N 0 0 340.335 3.459 10 5 EGBERN CCc1nc([C@@H]2CCCCN2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000360107049 457259232 /nfs/dbraw/zinc/25/92/32/457259232.db2.gz FBNDHJSQNKPMNE-HNNXBMFYSA-N 0 0 346.387 3.146 10 5 EGBERN Cc1cc(C)nc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000356991995 457262548 /nfs/dbraw/zinc/26/25/48/457262548.db2.gz ZNZHALBTZIFUEC-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN CN(CC1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347191408 457280788 /nfs/dbraw/zinc/28/07/88/457280788.db2.gz SAGCOIOHXBDRNU-UHFFFAOYSA-N 0 0 328.166 3.231 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000354545556 457281647 /nfs/dbraw/zinc/28/16/47/457281647.db2.gz QDZDOGISUAOBOW-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN CCOC(=O)c1c(C)onc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000351668226 457310317 /nfs/dbraw/zinc/31/03/17/457310317.db2.gz UILWRRQNEMXTLD-UHFFFAOYSA-N 0 0 340.719 3.300 10 5 EGBERN Cc1cccc2[nH]c(CNc3ncnc4sc([N+](=O)[O-])cc43)nc21 ZINC000342462614 457315794 /nfs/dbraw/zinc/31/57/94/457315794.db2.gz BAJAYQVJIXLGPZ-UHFFFAOYSA-N 0 0 340.368 3.396 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000360585107 457320360 /nfs/dbraw/zinc/32/03/60/457320360.db2.gz SLLJXKJTIKNWBS-UHFFFAOYSA-N 0 0 339.326 3.345 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC(=O)CC1 ZINC000347273178 457324107 /nfs/dbraw/zinc/32/41/07/457324107.db2.gz IJGIOYFNVMIQDB-UHFFFAOYSA-N 0 0 341.161 3.055 10 5 EGBERN CC(C)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000347381389 457391575 /nfs/dbraw/zinc/39/15/75/457391575.db2.gz KSAHNOKXBZOZNM-GFCCVEGCSA-N 0 0 336.335 3.390 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000369806724 457408430 /nfs/dbraw/zinc/40/84/30/457408430.db2.gz ZGHDKQCCXSITOV-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN Cc1nc(-c2cccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)c2)n[nH]1 ZINC000357288722 457422901 /nfs/dbraw/zinc/42/29/01/457422901.db2.gz ZICTUANYZDDUCG-UHFFFAOYSA-N 0 0 348.322 3.405 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC(CC(F)F)C1 ZINC000425077085 457431306 /nfs/dbraw/zinc/43/13/06/457431306.db2.gz QKBVATUNTCYZPT-UHFFFAOYSA-N 0 0 342.345 3.409 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000425082453 457431856 /nfs/dbraw/zinc/43/18/56/457431856.db2.gz FXJPUTBHMMNXGN-UHFFFAOYSA-N 0 0 328.315 3.109 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(NC(=O)C2CC2)cc1 ZINC000360953348 457461318 /nfs/dbraw/zinc/46/13/18/457461318.db2.gz JWTGTDULJWQQFJ-UHFFFAOYSA-N 0 0 330.344 3.260 10 5 EGBERN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])o1 ZINC000374155038 457499283 /nfs/dbraw/zinc/49/92/83/457499283.db2.gz BWUWTNITBMARGU-MRVPVSSYSA-N 0 0 343.122 3.358 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cccc(COCC(F)(F)F)c1 ZINC000361041468 457534481 /nfs/dbraw/zinc/53/44/81/457534481.db2.gz FKZIBSTZOPGYKF-UHFFFAOYSA-N 0 0 341.289 3.103 10 5 EGBERN C[C@H]1c2ccccc2CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361053990 457547971 /nfs/dbraw/zinc/54/79/71/457547971.db2.gz ASYGTDAAFWNYTP-ZDUSSCGKSA-N 0 0 325.368 3.134 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC(c2nc3ccccc3s2)C1 ZINC000361057386 457551646 /nfs/dbraw/zinc/55/16/46/457551646.db2.gz MBSWQTNOCDJCDV-UHFFFAOYSA-N 0 0 343.412 3.333 10 5 EGBERN CCc1ccc([C@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000347616269 457552039 /nfs/dbraw/zinc/55/20/39/457552039.db2.gz LVOZLJYWKQPQIH-AWEZNQCLSA-N 0 0 334.372 3.236 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H]1C ZINC000361063724 457558482 /nfs/dbraw/zinc/55/84/82/457558482.db2.gz UXMHAHHVVQUOER-STQMWFEESA-N 0 0 325.368 3.499 10 5 EGBERN CCOc1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000356306416 457564911 /nfs/dbraw/zinc/56/49/11/457564911.db2.gz KZJPBBZAWRAZLY-UHFFFAOYSA-N 0 0 332.278 3.066 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000357535334 457584167 /nfs/dbraw/zinc/58/41/67/457584167.db2.gz KJRIEUHJMPGGBK-VHSXEESVSA-N 0 0 345.321 3.282 10 5 EGBERN CC1(C2CC2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000357562086 457597691 /nfs/dbraw/zinc/59/76/91/457597691.db2.gz XTVJELFRUCOLTI-UHFFFAOYSA-N 0 0 344.458 3.076 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000374411304 457618175 /nfs/dbraw/zinc/61/81/75/457618175.db2.gz YIZMGDXKQNLLRP-SFHVURJKSA-N 0 0 343.358 3.196 10 5 EGBERN COc1cc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000374522534 457647772 /nfs/dbraw/zinc/64/77/72/457647772.db2.gz QVZICDGLBLQGEZ-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN C[C@H](COCc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000361313615 457690029 /nfs/dbraw/zinc/69/00/29/457690029.db2.gz MVVOLPZQAJOCIM-LLVKDONJSA-N 0 0 332.385 3.321 10 5 EGBERN CC[C@H](NC(=O)Cc1csc2nccn12)c1cccc([N+](=O)[O-])c1 ZINC000361330305 457695648 /nfs/dbraw/zinc/69/56/48/457695648.db2.gz HTLUJMWFKMIGGZ-AWEZNQCLSA-N 0 0 344.396 3.114 10 5 EGBERN CCCN(C(=O)c1ccc(N2CCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000410824643 457758389 /nfs/dbraw/zinc/75/83/89/457758389.db2.gz UIIFURGKJNVFNB-UHFFFAOYSA-N 0 0 340.383 3.257 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411039967 457782435 /nfs/dbraw/zinc/78/24/35/457782435.db2.gz ZSZJFGVBMITTSN-CXAGYDPISA-N 0 0 349.431 3.208 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nc(C)cs2)CCC1 ZINC000443879637 457818586 /nfs/dbraw/zinc/81/85/86/457818586.db2.gz RJLDYGDTJZMJRU-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN Cc1cc(NCc2ncn(Cc3cccc(F)c3)n2)ccc1[N+](=O)[O-] ZINC000443988393 457834946 /nfs/dbraw/zinc/83/49/46/457834946.db2.gz ZIASBDIZKPFUJZ-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(C(F)(F)F)cs1 ZINC000358260701 457894225 /nfs/dbraw/zinc/89/42/25/457894225.db2.gz VTUZSWBAVZLISB-UHFFFAOYSA-N 0 0 331.275 3.251 10 5 EGBERN COc1ccc(Cl)c(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000361864763 457917236 /nfs/dbraw/zinc/91/72/36/457917236.db2.gz FAXWQGUXZMGBPR-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN COc1cc(C)c(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1C ZINC000444632367 457923892 /nfs/dbraw/zinc/92/38/92/457923892.db2.gz ZXEVXXOHTJZSHS-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000434341624 457979220 /nfs/dbraw/zinc/97/92/20/457979220.db2.gz NHYFWJXELGFLFI-UHFFFAOYSA-N 0 0 327.384 3.282 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000434366984 457983784 /nfs/dbraw/zinc/98/37/84/457983784.db2.gz NGDGXSQHSIMQDP-SNVBAGLBSA-N 0 0 342.330 3.410 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](COc2ccccc2)C1 ZINC000361981491 457990580 /nfs/dbraw/zinc/99/05/80/457990580.db2.gz BROHXXXGHIEUQD-HNNXBMFYSA-N 0 0 346.358 3.014 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458268472 457995468 /nfs/dbraw/zinc/99/54/68/457995468.db2.gz YUSPIOUTKHLCBB-DVVUODLYSA-N 0 0 326.299 3.115 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000375780305 458061707 /nfs/dbraw/zinc/06/17/07/458061707.db2.gz OIWKIJLVPPJIGL-OAHLLOKOSA-N 0 0 344.371 3.352 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](c2ccccc2)O1 ZINC000427985901 458062331 /nfs/dbraw/zinc/06/23/31/458062331.db2.gz UGRQGHTVHRFYFO-YVEFUNNKSA-N 0 0 338.367 3.438 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cc(-c4ccccc4)no3)nc2c1 ZINC000427988364 458062666 /nfs/dbraw/zinc/06/26/66/458062666.db2.gz DOLPFGUCDFGLJV-UHFFFAOYSA-N 0 0 335.323 3.160 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000446339986 458179079 /nfs/dbraw/zinc/17/90/79/458179079.db2.gz HLGUCSHQGRLZTR-CQSZACIVSA-N 0 0 342.399 3.113 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000362479159 458206146 /nfs/dbraw/zinc/20/61/46/458206146.db2.gz JKJUDNDAXUMSGP-INIZCTEOSA-N 0 0 333.363 3.401 10 5 EGBERN O=c1[nH]c(NC2CC(c3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376169767 458221566 /nfs/dbraw/zinc/22/15/66/458221566.db2.gz BXUJDGRIHNICGS-UHFFFAOYSA-N 0 0 336.351 3.024 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000428886998 458228104 /nfs/dbraw/zinc/22/81/04/458228104.db2.gz KHXMCJCPSDQLQQ-VIFPVBQESA-N 0 0 346.305 3.301 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000372228183 458239774 /nfs/dbraw/zinc/23/97/74/458239774.db2.gz JZAJUKKISARSBF-UHFFFAOYSA-N 0 0 326.356 3.401 10 5 EGBERN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000412691862 458272485 /nfs/dbraw/zinc/27/24/85/458272485.db2.gz MIBFPOYUSFITGZ-CFVMTHIKSA-N 0 0 342.399 3.031 10 5 EGBERN Cc1c(Cc2noc([C@H]3CCCc4n[nH]cc43)n2)cccc1[N+](=O)[O-] ZINC000373193202 458424912 /nfs/dbraw/zinc/42/49/12/458424912.db2.gz MCKKVMVHSZPUQJ-LBPRGKRZSA-N 0 0 339.355 3.068 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000373202944 458429326 /nfs/dbraw/zinc/42/93/26/458429326.db2.gz NCDUSFSIAUUOIW-KXBFYZLASA-N 0 0 342.395 3.471 10 5 EGBERN COc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)ccc1O ZINC000438124205 458537084 /nfs/dbraw/zinc/53/70/84/458537084.db2.gz FYZHIKDWFSPTJE-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000438153380 458542326 /nfs/dbraw/zinc/54/23/26/458542326.db2.gz JUKNTFKEVWHSEE-PRXAMGSTSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1c(CN2C(=O)N[C@H](CCC(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000431740085 458615271 /nfs/dbraw/zinc/61/52/71/458615271.db2.gz FOKSSUVFRVUSED-CYBMUJFWSA-N 0 0 333.388 3.150 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000431800424 458626935 /nfs/dbraw/zinc/62/69/35/458626935.db2.gz LDEVXFKZKLZRKU-OAHLLOKOSA-N 0 0 338.363 3.223 10 5 EGBERN CN(c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000439093370 458652349 /nfs/dbraw/zinc/65/23/49/458652349.db2.gz DOXWJADQTVFPIL-MRXNPFEDSA-N 0 0 336.351 3.367 10 5 EGBERN Cc1ncc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C2CC2)n1 ZINC000439424504 458700467 /nfs/dbraw/zinc/70/04/67/458700467.db2.gz VFTKSFWWOBUGML-UHFFFAOYSA-N 0 0 341.371 3.201 10 5 EGBERN CCSCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)no1 ZINC000471737158 458723504 /nfs/dbraw/zinc/72/35/04/458723504.db2.gz OOXNQAXVRCNFGX-JTQLQIEISA-N 0 0 347.396 3.427 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530388158 458758499 /nfs/dbraw/zinc/75/84/99/458758499.db2.gz QNTKXUKOGXJJNR-RDBSUJKOSA-N 0 0 335.404 3.050 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCSC ZINC000439878847 458761818 /nfs/dbraw/zinc/76/18/18/458761818.db2.gz DELXZFFKBICPFS-UHFFFAOYSA-N 0 0 327.406 3.258 10 5 EGBERN C/C=C/C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000432903842 458810092 /nfs/dbraw/zinc/81/00/92/458810092.db2.gz WMADBYHTENUUMO-LYKUJDHUSA-N 0 0 326.780 3.236 10 5 EGBERN O=C1C[C@H](c2cccc(Nc3c(F)cc([N+](=O)[O-])cc3F)c2)CN1 ZINC000440585862 458829945 /nfs/dbraw/zinc/82/99/45/458829945.db2.gz AVJFHWAAIZQAEF-JTQLQIEISA-N 0 0 333.294 3.220 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000473512123 458832882 /nfs/dbraw/zinc/83/28/82/458832882.db2.gz GXUKIWJRLXRTJC-GJZGRUSLSA-N 0 0 327.384 3.396 10 5 EGBERN COc1cc(N(C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])cc1F ZINC000440667488 458841116 /nfs/dbraw/zinc/84/11/16/458841116.db2.gz FHMYQTZDBVDQGE-UHFFFAOYSA-N 0 0 334.351 3.292 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCCC2 ZINC000466384017 458896934 /nfs/dbraw/zinc/89/69/34/458896934.db2.gz UQBOGGHUXLIONI-UHFFFAOYSA-N 0 0 326.352 3.491 10 5 EGBERN Cc1cc(=NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000555747531 458909115 /nfs/dbraw/zinc/90/91/15/458909115.db2.gz DJCVZPIGGGPHTP-STQMWFEESA-N 0 0 342.399 3.235 10 5 EGBERN Cc1cc(=NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000555747528 458909843 /nfs/dbraw/zinc/90/98/43/458909843.db2.gz DJCVZPIGGGPHTP-CHWSQXEVSA-N 0 0 342.399 3.235 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)n1 ZINC000457273619 458910809 /nfs/dbraw/zinc/91/08/09/458910809.db2.gz IHAZRHHHYBRULA-INIZCTEOSA-N 0 0 340.383 3.086 10 5 EGBERN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000531635682 458950285 /nfs/dbraw/zinc/95/02/85/458950285.db2.gz FQZSRCUMPOZVLM-UHFFFAOYSA-N 0 0 342.336 3.071 10 5 EGBERN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000566510600 458951973 /nfs/dbraw/zinc/95/19/73/458951973.db2.gz WDZZVJUXRHFMMD-DOTOQJQBSA-N 0 0 332.400 3.450 10 5 EGBERN Cc1ccc(S(=O)(=O)NC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000566666704 458979534 /nfs/dbraw/zinc/97/95/34/458979534.db2.gz XKWGGVRXWXYALI-UHFFFAOYSA-N 0 0 326.418 3.006 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC2(C1)CCCC2 ZINC000519677377 458985880 /nfs/dbraw/zinc/98/58/80/458985880.db2.gz YIDFOIUAAIVRQG-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882373 458994065 /nfs/dbraw/zinc/99/40/65/458994065.db2.gz VNXSIVUPUSFJLE-UHFFFAOYSA-N 0 0 333.775 3.394 10 5 EGBERN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000531890068 458995567 /nfs/dbraw/zinc/99/55/67/458995567.db2.gz HJEMXHVUFJHKKJ-LBPRGKRZSA-N 0 0 349.774 3.231 10 5 EGBERN CC(C)[C@]1(CO)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000577605255 459059484 /nfs/dbraw/zinc/05/94/84/459059484.db2.gz PGNDASBIFICUCG-GOSISDBHSA-N 0 0 333.432 3.104 10 5 EGBERN Cc1cc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc(OCCO)c1 ZINC000594498952 459063884 /nfs/dbraw/zinc/06/38/84/459063884.db2.gz DQALQWRQUVCSAU-KRWDZBQOSA-N 0 0 328.368 3.374 10 5 EGBERN COCc1ccc(COc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1 ZINC000577751066 459088890 /nfs/dbraw/zinc/08/88/90/459088890.db2.gz LNQQVWXSWKOJLS-UHFFFAOYSA-N 0 0 331.324 3.107 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000478556499 459096176 /nfs/dbraw/zinc/09/61/76/459096176.db2.gz QPGSMGXDRAIHDP-AULYBMBSSA-N 0 0 348.790 3.141 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3ccc4cccnc4n3)CC2)s1 ZINC000594590861 459101183 /nfs/dbraw/zinc/10/11/83/459101183.db2.gz GSCRQZIACBCTBU-UHFFFAOYSA-N 0 0 341.396 3.379 10 5 EGBERN CC[C@@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594601263 459106116 /nfs/dbraw/zinc/10/61/16/459106116.db2.gz NBMUSONYHUJNGF-RHSMWYFYSA-N 0 0 349.431 3.493 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000557770348 459106296 /nfs/dbraw/zinc/10/62/96/459106296.db2.gz HVUBGDNVRNZILA-AWEZNQCLSA-N 0 0 340.379 3.082 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000521015455 459112912 /nfs/dbraw/zinc/11/29/12/459112912.db2.gz HDMOFQGZNZFDAD-ZDUSSCGKSA-N 0 0 348.399 3.356 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000478960880 459116665 /nfs/dbraw/zinc/11/66/65/459116665.db2.gz VEUPUEDGBXHFSX-KRWDZBQOSA-N 0 0 339.395 3.260 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CC2(O)CCCCC2)nn1 ZINC000594651617 459121515 /nfs/dbraw/zinc/12/15/15/459121515.db2.gz DYBDGCVTMFZTFI-UHFFFAOYSA-N 0 0 336.779 3.067 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590398809 459123708 /nfs/dbraw/zinc/12/37/08/459123708.db2.gz AMTQUYOETUCUMT-MRXNPFEDSA-N 0 0 339.395 3.247 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590445943 459131913 /nfs/dbraw/zinc/13/19/13/459131913.db2.gz WRPLHBKGGOXMBB-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN CC[C@@H](C)[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578094675 459144218 /nfs/dbraw/zinc/14/42/18/459144218.db2.gz HQXPZXXGHHHJPA-NEPJUHHUSA-N 0 0 332.404 3.352 10 5 EGBERN O=C([O-])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000594734365 459145126 /nfs/dbraw/zinc/14/51/26/459145126.db2.gz YLKQBWNQAUSSQX-BBWFWOEESA-N 0 0 332.400 3.103 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000594734154 459145407 /nfs/dbraw/zinc/14/54/07/459145407.db2.gz QQVVTYLWSRLTNB-QLFBSQMISA-N 0 0 348.399 3.069 10 5 EGBERN CC(=O)Nc1ccc(O)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000590549471 459147161 /nfs/dbraw/zinc/14/71/61/459147161.db2.gz HNIQKGAEHQNECA-UHFFFAOYSA-N 0 0 343.339 3.128 10 5 EGBERN Nc1cc(NCC[C@@H]2CCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000590706951 459190055 /nfs/dbraw/zinc/19/00/55/459190055.db2.gz FEECRJXBSQPWNF-ZDUSSCGKSA-N 0 0 327.384 3.201 10 5 EGBERN CCc1nnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757599 459207267 /nfs/dbraw/zinc/20/72/67/459207267.db2.gz BTLVCJGTJCCKFK-ZDUSSCGKSA-N 0 0 332.429 3.388 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000480735736 459217272 /nfs/dbraw/zinc/21/72/72/459217272.db2.gz XATLKOZMOHBLTL-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000481470879 459256634 /nfs/dbraw/zinc/25/66/34/459256634.db2.gz DOUBAWQUJHUDNP-JTQLQIEISA-N 0 0 332.447 3.103 10 5 EGBERN COc1ccc(OC)c(CN(Cc2onc(C)c2[N+](=O)[O-])C2CC2)c1 ZINC000595288693 459267457 /nfs/dbraw/zinc/26/74/57/459267457.db2.gz KECISNVBTHCMGN-UHFFFAOYSA-N 0 0 347.371 3.073 10 5 EGBERN CCn1c(SC[C@H](OC)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000582062090 459301196 /nfs/dbraw/zinc/30/11/96/459301196.db2.gz QBQRFNAWFYCDSP-AWEZNQCLSA-N 0 0 348.428 3.390 10 5 EGBERN CCOC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000560112656 459301968 /nfs/dbraw/zinc/30/19/68/459301968.db2.gz UBXJQQALUXKHFX-UHFFFAOYSA-N 0 0 343.383 3.161 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCC2(CC2(F)F)CC1 ZINC000595445654 459305071 /nfs/dbraw/zinc/30/50/71/459305071.db2.gz FXPFFKIBFIJPCZ-UHFFFAOYSA-N 0 0 339.342 3.362 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000595473674 459314955 /nfs/dbraw/zinc/31/49/55/459314955.db2.gz ANIBSAYBIBBMOF-CZIWCDLHSA-N 0 0 341.367 3.004 10 5 EGBERN O=C(NCCOCC1CCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568815516 459348559 /nfs/dbraw/zinc/34/85/59/459348559.db2.gz BIKBWQGOLBAPMP-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN C[C@@]1(C2CC2)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627205 459374617 /nfs/dbraw/zinc/37/46/17/459374617.db2.gz WWMXDRSKOMDROW-SFHVURJKSA-N 0 0 343.383 3.251 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000569234110 459419292 /nfs/dbraw/zinc/41/92/92/459419292.db2.gz WDCAKGLKNKZMIR-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc2n1C ZINC000525217791 459428117 /nfs/dbraw/zinc/42/81/17/459428117.db2.gz JJFYTEPFDFGGRE-UHFFFAOYSA-N 0 0 330.369 3.412 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000561225461 459433540 /nfs/dbraw/zinc/43/35/40/459433540.db2.gz DZAGETYIVDFQAA-UHFFFAOYSA-N 0 0 335.404 3.347 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@]1(C)CC1(F)F ZINC000595778961 459435642 /nfs/dbraw/zinc/43/56/42/459435642.db2.gz WNVNNMRVKWZXFN-CQSZACIVSA-N 0 0 327.331 3.172 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CC=CCC1 ZINC000541309927 459442185 /nfs/dbraw/zinc/44/21/85/459442185.db2.gz RARSDXJRONIFFO-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN CC(C)[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000595816209 459449979 /nfs/dbraw/zinc/44/99/79/459449979.db2.gz FOKVDSPOAXXVPT-KRWDZBQOSA-N 0 0 344.415 3.352 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595839407 459461000 /nfs/dbraw/zinc/46/10/00/459461000.db2.gz FUQUSOPFWFNNPJ-DZGCQCFKSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1c(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891950 459477588 /nfs/dbraw/zinc/47/75/88/459477588.db2.gz RNWNQRDXVDMWFJ-MFKMUULPSA-N 0 0 332.322 3.445 10 5 EGBERN C[C@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000591910970 459481283 /nfs/dbraw/zinc/48/12/83/459481283.db2.gz HUNWPPXZYSADOG-CORIIIEPSA-N 0 0 335.404 3.301 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595918089 459486002 /nfs/dbraw/zinc/48/60/02/459486002.db2.gz OMIGLAOVBPGHFF-OTYXRUKQSA-N 0 0 334.750 3.493 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](Cc3ccncc3)C1)CCCC2 ZINC000591929445 459489869 /nfs/dbraw/zinc/48/98/69/459489869.db2.gz OPYGKMOXPMDBNN-HNNXBMFYSA-N 0 0 338.411 3.333 10 5 EGBERN Cc1cc(NC[C@H](C)CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591963503 459498955 /nfs/dbraw/zinc/49/89/55/459498955.db2.gz FUDUEOOMYMXABF-SNVBAGLBSA-N 0 0 336.342 3.485 10 5 EGBERN CCCC[C@](C)(CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000591973032 459501853 /nfs/dbraw/zinc/50/18/53/459501853.db2.gz HXJXFIJFBYOPTA-CYBMUJFWSA-N 0 0 346.225 3.414 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000486433908 459502921 /nfs/dbraw/zinc/50/29/21/459502921.db2.gz WREHETUIAOAECC-MRXNPFEDSA-N 0 0 336.432 3.221 10 5 EGBERN Cc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000569761614 459504995 /nfs/dbraw/zinc/50/49/95/459504995.db2.gz YLSKFTWFHMXJIN-UHFFFAOYSA-N 0 0 328.372 3.033 10 5 EGBERN COC(=O)c1cc(C)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000562042887 459505879 /nfs/dbraw/zinc/50/58/79/459505879.db2.gz CEPFJKMVMWKURD-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1SC ZINC000591990756 459507288 /nfs/dbraw/zinc/50/72/88/459507288.db2.gz MBSXRZCJFHXVAI-YUELXQCFSA-N 0 0 333.413 3.464 10 5 EGBERN NC(=O)c1cc(N2CCC[C@H]2Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000596081445 459511996 /nfs/dbraw/zinc/51/19/96/459511996.db2.gz XEJROAWBVMBRRU-AWEZNQCLSA-N 0 0 343.358 3.044 10 5 EGBERN COc1cc2c(cc1F)CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596185465 459552303 /nfs/dbraw/zinc/55/23/03/459552303.db2.gz XGTVEXURRAHHKR-UHFFFAOYSA-N 0 0 337.738 3.354 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596185643 459552965 /nfs/dbraw/zinc/55/29/65/459552965.db2.gz FDFRZLZNMHAIPY-QMMMGPOBSA-N 0 0 331.777 3.306 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000596190086 459554726 /nfs/dbraw/zinc/55/47/26/459554726.db2.gz VQEXMSFFVHEIIN-UHFFFAOYSA-N 0 0 328.752 3.016 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000596191255 459555393 /nfs/dbraw/zinc/55/53/93/459555393.db2.gz MHEHZUGXQIKNAK-RTHLEPHNSA-N 0 0 328.752 3.014 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CCCC2)cc1C ZINC000497781556 459556846 /nfs/dbraw/zinc/55/68/46/459556846.db2.gz YLTROTZAXMTUCP-UHFFFAOYSA-N 0 0 326.418 3.070 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596229899 459568217 /nfs/dbraw/zinc/56/82/17/459568217.db2.gz RHKANAMTHFOTJI-VHSXEESVSA-N 0 0 342.779 3.119 10 5 EGBERN NC(=O)c1cc(NC[C@H]2CC[C@@H](c3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000596238599 459571473 /nfs/dbraw/zinc/57/14/73/459571473.db2.gz OSWRVMRGSMVTGD-PBHICJAKSA-N 0 0 341.367 3.026 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])s1 ZINC000596248587 459573871 /nfs/dbraw/zinc/57/38/71/459573871.db2.gz JGVJFURJLMYSFJ-CZUORRHYSA-N 0 0 336.388 3.269 10 5 EGBERN COc1cc(NCc2nnc(C(C)C)[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC000596250733 459575284 /nfs/dbraw/zinc/57/52/84/459575284.db2.gz TVLXSKAYQVVOPK-UHFFFAOYSA-N 0 0 325.756 3.110 10 5 EGBERN COc1cc(N2CCC[C@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596260806 459578009 /nfs/dbraw/zinc/57/80/09/459578009.db2.gz MHYBHUJJIRJGGR-HNNXBMFYSA-N 0 0 326.780 3.264 10 5 EGBERN COc1cc(N[C@@H]([C@H](CO)C2CC2)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596262957 459579140 /nfs/dbraw/zinc/57/91/40/459579140.db2.gz KNCOLNMXMSGOAQ-BDJLRTHQSA-N 0 0 340.807 3.466 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCC[C@H](CO)C1 ZINC000596278047 459581469 /nfs/dbraw/zinc/58/14/69/459581469.db2.gz LOGVHGUHXXFXIG-UWVGGRQHSA-N 0 0 329.194 3.320 10 5 EGBERN COc1cc(N(C)Cc2noc(C3CC3)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596276034 459581548 /nfs/dbraw/zinc/58/15/48/459581548.db2.gz CXOJGYDQNHDUTH-UHFFFAOYSA-N 0 0 338.751 3.154 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596278257 459581783 /nfs/dbraw/zinc/58/17/83/459581783.db2.gz NWILHFIDFCFDBC-NXEZZACHSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000572866424 459587891 /nfs/dbraw/zinc/58/78/91/459587891.db2.gz AHZPLDBVLHYDEZ-ZDUSSCGKSA-N 0 0 335.404 3.347 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000596317432 459594210 /nfs/dbraw/zinc/59/42/10/459594210.db2.gz IJASRSUWMXOKQY-RNCFNFMXSA-N 0 0 334.294 3.077 10 5 EGBERN CC[C@H](Cc1ccc(F)cc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596316531 459594450 /nfs/dbraw/zinc/59/44/50/459594450.db2.gz IPIRMFCOLPEBNM-CQSZACIVSA-N 0 0 333.363 3.242 10 5 EGBERN O=C([O-])[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000592424610 459598235 /nfs/dbraw/zinc/59/82/35/459598235.db2.gz YNHREXHEBYWEOZ-UKMLZYKCSA-N 0 0 332.400 3.149 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(O)c2ccccc2c1 ZINC000527170114 459602425 /nfs/dbraw/zinc/60/24/25/459602425.db2.gz AHQJTPXQIYFSFZ-UHFFFAOYSA-N 0 0 336.347 3.426 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c2ncnn21 ZINC000596347495 459603924 /nfs/dbraw/zinc/60/39/24/459603924.db2.gz XDWXETVXAXBRAV-CMPLNLGQSA-N 0 0 331.376 3.482 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596367356 459609919 /nfs/dbraw/zinc/60/99/19/459609919.db2.gz GXDSEPUQJCJHNF-IXPVHAAZSA-N 0 0 328.796 3.226 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596423679 459632347 /nfs/dbraw/zinc/63/23/47/459632347.db2.gz OGLZGHRBANCBRG-QGZVFWFLSA-N 0 0 341.411 3.082 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000596441566 459637604 /nfs/dbraw/zinc/63/76/04/459637604.db2.gz IPZANXRCFKBNPW-OKILXGFUSA-N 0 0 330.306 3.476 10 5 EGBERN COC1CC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596442575 459637736 /nfs/dbraw/zinc/63/77/36/459637736.db2.gz WWCJBVXXGMHOBR-UHFFFAOYSA-N 0 0 327.768 3.185 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596454550 459642067 /nfs/dbraw/zinc/64/20/67/459642067.db2.gz SWRCMMUAHODMID-UHFFFAOYSA-N 0 0 335.404 3.328 10 5 EGBERN Cc1cc(NC[C@@]2(C)CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596476350 459650559 /nfs/dbraw/zinc/65/05/59/459650559.db2.gz HMTSGTIHAZUFNN-OAHLLOKOSA-N 0 0 334.326 3.239 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596482274 459652064 /nfs/dbraw/zinc/65/20/64/459652064.db2.gz IJCGRXVBZCJCFE-SJORKVTESA-N 0 0 343.383 3.475 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596490130 459655100 /nfs/dbraw/zinc/65/51/00/459655100.db2.gz ZWRUPYZKWGEYPM-DZGCQCFKSA-N 0 0 330.388 3.160 10 5 EGBERN O=[N+]([O-])c1ccc(NCC(O)(C2CC2)C2CC2)c(Br)c1 ZINC000596493182 459656097 /nfs/dbraw/zinc/65/60/97/459656097.db2.gz WGZFZOZCJBCGNH-UHFFFAOYSA-N 0 0 341.205 3.320 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H](C)CC(F)F)ccc1[N+](=O)[O-] ZINC000592672490 459661086 /nfs/dbraw/zinc/66/10/86/459661086.db2.gz WSLAPHSQDVLFMA-JTQLQIEISA-N 0 0 330.331 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](O)C23CCC3)c(Br)c1 ZINC000596513294 459661752 /nfs/dbraw/zinc/66/17/52/459661752.db2.gz UKIKTNRCUODILI-VXGBXAGGSA-N 0 0 327.178 3.073 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000596513465 459661895 /nfs/dbraw/zinc/66/18/95/459661895.db2.gz XVUJBGCBWNIPEN-CYBMUJFWSA-N 0 0 341.358 3.436 10 5 EGBERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000596514020 459663048 /nfs/dbraw/zinc/66/30/48/459663048.db2.gz FDFIMIYMEANBHY-UNXYVOJBSA-N 0 0 344.408 3.327 10 5 EGBERN Cc1cccc2c1CCC[C@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596543457 459671038 /nfs/dbraw/zinc/67/10/38/459671038.db2.gz JSWFIIHCPNZFHR-OAHLLOKOSA-N 0 0 325.368 3.492 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000596554772 459675396 /nfs/dbraw/zinc/67/53/96/459675396.db2.gz LYBYHPLDEQURJD-JOYOIKCWSA-N 0 0 346.305 3.344 10 5 EGBERN CO[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000596580518 459684334 /nfs/dbraw/zinc/68/43/34/459684334.db2.gz NSPVPVWRVMSFQE-AWEZNQCLSA-N 0 0 332.360 3.495 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573520035 459690424 /nfs/dbraw/zinc/69/04/24/459690424.db2.gz OCEGKRBAGVDQPT-BLLLJJGKSA-N 0 0 344.415 3.497 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000592797616 459692382 /nfs/dbraw/zinc/69/23/82/459692382.db2.gz HBADIEOCHBNZCI-AWEZNQCLSA-N 0 0 344.415 3.006 10 5 EGBERN Cc1ccn([C@@H](C)Cc2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)n1 ZINC000596600168 459693069 /nfs/dbraw/zinc/69/30/69/459693069.db2.gz BLJCPZMZNWOTMK-LBPRGKRZSA-N 0 0 327.344 3.262 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(C)c(C)c3)no2)n1 ZINC000596614455 459699755 /nfs/dbraw/zinc/69/97/55/459699755.db2.gz RIBUIIFIAXDMFM-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN Cc1nn(C)c(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c1[N+](=O)[O-] ZINC000596618298 459700525 /nfs/dbraw/zinc/70/05/25/459700525.db2.gz KDZNVMNZBLISRW-STQMWFEESA-N 0 0 339.355 3.033 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C2CCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000592834041 459701788 /nfs/dbraw/zinc/70/17/88/459701788.db2.gz OSEWGMLEXCTYNV-CQSZACIVSA-N 0 0 334.420 3.359 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(C)(CC(F)F)C1 ZINC000592833892 459701816 /nfs/dbraw/zinc/70/18/16/459701816.db2.gz CNEGIEQWFRXGLZ-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](C3CCOCC3)C1)CCCC2 ZINC000584288513 459702534 /nfs/dbraw/zinc/70/25/34/459702534.db2.gz RMIIWRUNRCPQQT-OAHLLOKOSA-N 0 0 331.416 3.122 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874574 459708247 /nfs/dbraw/zinc/70/82/47/459708247.db2.gz TWOSDWCILAMUKU-RYUDHWBXSA-N 0 0 334.420 3.169 10 5 EGBERN CC(C)[C@H]1N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592899971 459715862 /nfs/dbraw/zinc/71/58/62/459715862.db2.gz GCRPAEOVELTPBC-GOSISDBHSA-N 0 0 343.427 3.234 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CCC(F)CC1 ZINC000592897099 459716027 /nfs/dbraw/zinc/71/60/27/459716027.db2.gz DKGNOVLKXJEPMU-UHFFFAOYSA-N 0 0 337.395 3.431 10 5 EGBERN O=C([O-])[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000596656517 459716851 /nfs/dbraw/zinc/71/68/51/459716851.db2.gz FDLDZYDTSZFSDJ-MRXNPFEDSA-N 0 0 344.367 3.445 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000593020561 459742564 /nfs/dbraw/zinc/74/25/64/459742564.db2.gz OQAYHYRMEAGBJO-GFCCVEGCSA-N 0 0 344.367 3.241 10 5 EGBERN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cscn1 ZINC000596745138 459750405 /nfs/dbraw/zinc/75/04/05/459750405.db2.gz WQSGQIAUULPKLC-NSHDSACASA-N 0 0 346.412 3.487 10 5 EGBERN CC[C@@H](C)[C@@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000584487035 459753060 /nfs/dbraw/zinc/75/30/60/459753060.db2.gz HPBQKSAPIQBNDD-RISCZKNCSA-N 0 0 335.404 3.490 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596838153 459775417 /nfs/dbraw/zinc/77/54/17/459775417.db2.gz KDEAGOMPNWIJBG-ZDUSSCGKSA-N 0 0 334.420 3.206 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@]1(C)CC1(F)F ZINC000596843898 459777057 /nfs/dbraw/zinc/77/70/57/459777057.db2.gz MKCBAVRLNOFGSL-CYBMUJFWSA-N 0 0 329.303 3.160 10 5 EGBERN O=c1oc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2s1 ZINC000584637021 459777970 /nfs/dbraw/zinc/77/79/70/459777970.db2.gz JBJNCYJYFKTIFW-UHFFFAOYSA-N 0 0 333.281 3.415 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1 ZINC000584676283 459781819 /nfs/dbraw/zinc/78/18/19/459781819.db2.gz AGUBQSFVRQLBPC-UHFFFAOYSA-N 0 0 338.367 3.118 10 5 EGBERN CC[C@@](C)(NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C1CC1 ZINC000596870869 459783647 /nfs/dbraw/zinc/78/36/47/459783647.db2.gz BMAGNKKFQLAZKF-QGZVFWFLSA-N 0 0 349.387 3.390 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000596888911 459788295 /nfs/dbraw/zinc/78/82/95/459788295.db2.gz CGHFMIXPTVXJNQ-YPMHNXCESA-N 0 0 337.376 3.073 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ccccn1 ZINC000596891875 459788794 /nfs/dbraw/zinc/78/87/94/459788794.db2.gz WLKUIIVMIVPOCQ-LBPRGKRZSA-N 0 0 344.371 3.314 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccc(OC)c1F ZINC000596913433 459794624 /nfs/dbraw/zinc/79/46/24/459794624.db2.gz YEXXESMPMVWKGR-UHFFFAOYSA-N 0 0 348.334 3.022 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CCn3ccc4ccccc43)no2)nc1 ZINC000545175163 459805816 /nfs/dbraw/zinc/80/58/16/459805816.db2.gz MCLZYKAJPVWTKP-UHFFFAOYSA-N 0 0 335.323 3.237 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CS1 ZINC000584825838 459809193 /nfs/dbraw/zinc/80/91/93/459809193.db2.gz ZUPNGJLNTSAJSW-NEPJUHHUSA-N 0 0 338.432 3.305 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CS1 ZINC000584825846 459809339 /nfs/dbraw/zinc/80/93/39/459809339.db2.gz ZUPNGJLNTSAJSW-VXGBXAGGSA-N 0 0 338.432 3.305 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593218624 459810999 /nfs/dbraw/zinc/81/09/99/459810999.db2.gz REQPDCVMVFBGJM-UHFFFAOYSA-N 0 0 341.367 3.443 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593217624 459811004 /nfs/dbraw/zinc/81/10/04/459811004.db2.gz BWFJWWYZWQEXIO-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN COCCc1cccc(OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000593236876 459816264 /nfs/dbraw/zinc/81/62/64/459816264.db2.gz BMQFLZWEULJQQV-UHFFFAOYSA-N 0 0 345.351 3.149 10 5 EGBERN Cc1c[nH]nc1COCc1ccc(Br)cc1[N+](=O)[O-] ZINC000593237331 459816360 /nfs/dbraw/zinc/81/63/60/459816360.db2.gz KWSZQVHLJUZPSA-UHFFFAOYSA-N 0 0 326.150 3.106 10 5 EGBERN O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000593249157 459820087 /nfs/dbraw/zinc/82/00/87/459820087.db2.gz OEELNINSLCLURL-UHFFFAOYSA-N 0 0 339.273 3.361 10 5 EGBERN C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094339 459836322 /nfs/dbraw/zinc/83/63/22/459836322.db2.gz DUGXOGNXVBGWOJ-VIFPVBQESA-N 0 0 326.784 3.484 10 5 EGBERN Nc1c(NC(=O)N[C@H]2CCC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093982 459836514 /nfs/dbraw/zinc/83/65/14/459836514.db2.gz AGXCFHGLWWXZEO-ZETCQYMHSA-N 0 0 334.710 3.140 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)OCC23CCC3)c1 ZINC000593316511 459838664 /nfs/dbraw/zinc/83/86/64/459838664.db2.gz JVPOGDLIKOGYCC-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC=CC1 ZINC000585808279 459854198 /nfs/dbraw/zinc/85/41/98/459854198.db2.gz VXXYDHXNHLNMPN-UHFFFAOYSA-N 0 0 326.150 3.197 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357495 459861286 /nfs/dbraw/zinc/86/12/86/459861286.db2.gz CELNNQQVVZBTPK-OAHLLOKOSA-N 0 0 333.294 3.014 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NC2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000598317100 459863259 /nfs/dbraw/zinc/86/32/59/459863259.db2.gz CZQYANFEOSOHGF-UHFFFAOYSA-N 0 0 342.346 3.139 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000598339666 459872142 /nfs/dbraw/zinc/87/21/42/459872142.db2.gz BWOIVMYXGNJMTP-SNVBAGLBSA-N 0 0 330.356 3.338 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000598352678 459876046 /nfs/dbraw/zinc/87/60/46/459876046.db2.gz PUDFZJBBDAPFQO-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598353482 459876820 /nfs/dbraw/zinc/87/68/20/459876820.db2.gz TVSBDLYHJFIARW-RBUKOAKNSA-N 0 0 342.395 3.012 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000598354054 459877268 /nfs/dbraw/zinc/87/72/68/459877268.db2.gz UYWCWQUORPCUDD-IAGOWNOFSA-N 0 0 346.358 3.222 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@](C)(C(F)F)C1 ZINC000597252163 459896593 /nfs/dbraw/zinc/89/65/93/459896593.db2.gz RMMNRPQUPJQECR-OQRGYWNNSA-N 0 0 326.343 3.354 10 5 EGBERN CCO[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCCCC2 ZINC000587985500 459898218 /nfs/dbraw/zinc/89/82/18/459898218.db2.gz LHMRCRLKVIJSKB-HOTGVXAUSA-N 0 0 349.431 3.209 10 5 EGBERN CN(C(=O)CNc1ccnc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000593469901 459899343 /nfs/dbraw/zinc/89/93/43/459899343.db2.gz WBFWVUIJUJBADM-UHFFFAOYSA-N 0 0 342.399 3.346 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](C)c1ccncc1 ZINC000587992929 459899846 /nfs/dbraw/zinc/89/98/46/459899846.db2.gz SZWVNRJFZBIEEQ-GFCCVEGCSA-N 0 0 329.356 3.300 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@]1(CO)CCc2ccccc21 ZINC000593483867 459902908 /nfs/dbraw/zinc/90/29/08/459902908.db2.gz KECGMZZFUTYNDH-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598457824 459903122 /nfs/dbraw/zinc/90/31/22/459903122.db2.gz PNBNRIGGBJSFOI-SNVBAGLBSA-N 0 0 346.305 3.159 10 5 EGBERN CCc1nn(C)c(Nc2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC000593486178 459904045 /nfs/dbraw/zinc/90/40/45/459904045.db2.gz OKWRWGHFYVYSLK-UHFFFAOYSA-N 0 0 344.350 3.268 10 5 EGBERN CNc1c(C(=O)N(C)C[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000598468638 459905721 /nfs/dbraw/zinc/90/57/21/459905721.db2.gz FJFOHPOZPXGSBK-AWEZNQCLSA-N 0 0 339.395 3.439 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598469850 459906411 /nfs/dbraw/zinc/90/64/11/459906411.db2.gz OWEBAUZDDKCHIY-HNNXBMFYSA-N 0 0 340.379 3.162 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000588068470 459908540 /nfs/dbraw/zinc/90/85/40/459908540.db2.gz OQICCOGOGZUSJQ-XPTSAGLGSA-N 0 0 341.289 3.299 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3cccc(C)c3[N+](=O)[O-])C2)n(C)n1 ZINC000618173686 459921978 /nfs/dbraw/zinc/92/19/78/459921978.db2.gz QWUCUPKEOOWHRF-AWEZNQCLSA-N 0 0 329.404 3.026 10 5 EGBERN Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598509341 459925666 /nfs/dbraw/zinc/92/56/66/459925666.db2.gz SPVWZZBXRKUBBC-QWRGUYRKSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000598540950 459933119 /nfs/dbraw/zinc/93/31/19/459933119.db2.gz UPDCWENGESKFMI-RHSMWYFYSA-N 0 0 342.395 3.372 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC1(F)F ZINC000588232680 459934661 /nfs/dbraw/zinc/93/46/61/459934661.db2.gz VUXMPHWCKDBQRB-MFKMUULPSA-N 0 0 327.331 3.089 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232434 459935070 /nfs/dbraw/zinc/93/50/70/459935070.db2.gz HGIXHJCHXRLJQA-UONOGXRCSA-N 0 0 336.342 3.195 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598572145 459943531 /nfs/dbraw/zinc/94/35/31/459943531.db2.gz KHUHTSIRAWWFHC-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000598575858 459946257 /nfs/dbraw/zinc/94/62/57/459946257.db2.gz DMQNDWDAXKOSFM-CQSZACIVSA-N 0 0 348.399 3.083 10 5 EGBERN C[C@@H](Nc1ccncc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000609384398 459955013 /nfs/dbraw/zinc/95/50/13/459955013.db2.gz SHOXLMUJFZRFEQ-MRVPVSSYSA-N 0 0 340.152 3.486 10 5 EGBERN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCc1cccc([N+](=O)[O-])c1 ZINC000597448955 459957998 /nfs/dbraw/zinc/95/79/98/459957998.db2.gz FQBMPIDCFBSJAG-HOCLYGCPSA-N 0 0 338.354 3.469 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCC(C(C)(C)O)CC1 ZINC000593702983 459958072 /nfs/dbraw/zinc/95/80/72/459958072.db2.gz YCMGQTFGNXRNIF-UHFFFAOYSA-N 0 0 348.443 3.173 10 5 EGBERN O=C(C1CCC(C2CC2)CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597477666 459968196 /nfs/dbraw/zinc/96/81/96/459968196.db2.gz MXDIUCFJMJPJPS-UHFFFAOYSA-N 0 0 329.400 3.091 10 5 EGBERN COc1ccc(NC(=O)C2(OC)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000597493043 459973753 /nfs/dbraw/zinc/97/37/53/459973753.db2.gz YJTLNHKCKIQZSZ-UHFFFAOYSA-N 0 0 344.314 3.136 10 5 EGBERN COc1cc(CN(C)Cc2c(C)cc(C)nc2OC)ccc1[N+](=O)[O-] ZINC000598648118 459975741 /nfs/dbraw/zinc/97/57/41/459975741.db2.gz HQKWFDZJNNRXCG-UHFFFAOYSA-N 0 0 345.399 3.256 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593768495 459979885 /nfs/dbraw/zinc/97/98/85/459979885.db2.gz VZPSVHZVKRMDNG-UHFFFAOYSA-N 0 0 346.427 3.269 10 5 EGBERN CC[N@H+](CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593786870 459985673 /nfs/dbraw/zinc/98/56/73/459985673.db2.gz RTRFYPXDIVFFSZ-UHFFFAOYSA-N 0 0 349.431 3.075 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](c2ccccc2)C1 ZINC000588901724 459998871 /nfs/dbraw/zinc/99/88/71/459998871.db2.gz CZPQKHYMVWCVOX-CYBMUJFWSA-N 0 0 346.333 3.432 10 5 EGBERN C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588906905 460001615 /nfs/dbraw/zinc/00/16/15/460001615.db2.gz HKUGYTCVDNSSKD-GFCCVEGCSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2cccnc2)CC1 ZINC000618469146 460019360 /nfs/dbraw/zinc/01/93/60/460019360.db2.gz HAJSXPWWXVRDOT-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C1N[C@H](C2CCCCCC2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000593954782 460026352 /nfs/dbraw/zinc/02/63/52/460026352.db2.gz OAXRHZNKSHVMDH-MRXNPFEDSA-N 0 0 345.399 3.028 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693475 460030821 /nfs/dbraw/zinc/03/08/21/460030821.db2.gz DLRHPUZVWVSDPG-ZBFHGGJFSA-N 0 0 339.395 3.500 10 5 EGBERN CC(C)(C)n1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000593999381 460048750 /nfs/dbraw/zinc/04/87/50/460048750.db2.gz PIXCOTIOCBFTIR-UHFFFAOYSA-N 0 0 342.399 3.351 10 5 EGBERN C[C@H](NC(=O)Nc1ccc2nccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000610026238 460053645 /nfs/dbraw/zinc/05/36/45/460053645.db2.gz HPDOWURJLLTUSW-NSHDSACASA-N 0 0 325.328 3.125 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCO1 ZINC000598825961 460053940 /nfs/dbraw/zinc/05/39/40/460053940.db2.gz AYVISUDSYJPHNJ-ABAIWWIYSA-N 0 0 329.356 3.287 10 5 EGBERN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCCC1 ZINC000598826044 460054295 /nfs/dbraw/zinc/05/42/95/460054295.db2.gz CBENMZFJZMSOGK-MRXNPFEDSA-N 0 0 329.356 3.287 10 5 EGBERN Cc1cc(NC(=O)C[C@@H](C)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827474 460054433 /nfs/dbraw/zinc/05/44/33/460054433.db2.gz HTUOKMQIZXDRPC-PIGZYNQJSA-N 0 0 343.383 3.017 10 5 EGBERN CN(C(=O)C[C@H]1OCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC000594014411 460057876 /nfs/dbraw/zinc/05/78/76/460057876.db2.gz QBDAXVRIBCCAAJ-CQSZACIVSA-N 0 0 347.758 3.268 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594053985 460075428 /nfs/dbraw/zinc/07/54/28/460075428.db2.gz GADYLERIUYZQCY-RYUDHWBXSA-N 0 0 347.293 3.216 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598883042 460082801 /nfs/dbraw/zinc/08/28/01/460082801.db2.gz QJNNYVKDPNBMHN-LBPRGKRZSA-N 0 0 327.331 3.048 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000610246338 460096504 /nfs/dbraw/zinc/09/65/04/460096504.db2.gz NUHMSEGMYKQTME-SSDMNJCBSA-N 0 0 335.404 3.123 10 5 EGBERN Cc1cc(C(=O)N2CCc3nc(C(C)C)ncc3C2)cc([N+](=O)[O-])c1 ZINC000598940991 460097745 /nfs/dbraw/zinc/09/77/45/460097745.db2.gz ZWVMPRLLBAKFOI-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN CC[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943373 460098188 /nfs/dbraw/zinc/09/81/88/460098188.db2.gz SOCJYAFAHRERNH-ZWKOTPCHSA-N 0 0 339.395 3.349 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594094314 460098110 /nfs/dbraw/zinc/09/81/10/460098110.db2.gz IUVWNKDUHJYPEN-ZDUSSCGKSA-N 0 0 349.387 3.217 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597919604 460111476 /nfs/dbraw/zinc/11/14/76/460111476.db2.gz OSCWEHRWZSGIKI-ZDUSSCGKSA-N 0 0 331.372 3.011 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597925328 460113902 /nfs/dbraw/zinc/11/39/02/460113902.db2.gz NGWOQAVRIRZLBP-SFHVURJKSA-N 0 0 332.400 3.359 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC=CCC1 ZINC000589648214 460123218 /nfs/dbraw/zinc/12/32/18/460123218.db2.gz ALIPMQYNHPCZKW-UHFFFAOYSA-N 0 0 327.388 3.276 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594142691 460124626 /nfs/dbraw/zinc/12/46/26/460124626.db2.gz ZYSPTEJXZFAYGV-JTQLQIEISA-N 0 0 328.796 3.429 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597952393 460125274 /nfs/dbraw/zinc/12/52/74/460125274.db2.gz RTFGSTUVWVZRLQ-LBPRGKRZSA-N 0 0 345.399 3.463 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1F ZINC000589679234 460125976 /nfs/dbraw/zinc/12/59/76/460125976.db2.gz HQVPUMMLHPYNGH-NHYWBVRUSA-N 0 0 348.378 3.008 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC2(CCCC2)CC1 ZINC000597953692 460126266 /nfs/dbraw/zinc/12/62/66/460126266.db2.gz GKWYWWQKWXQASZ-UHFFFAOYSA-N 0 0 334.420 3.063 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594175636 460137556 /nfs/dbraw/zinc/13/75/56/460137556.db2.gz MDLZQHBJFBZNNI-LSDHHAIUSA-N 0 0 340.807 3.255 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594205340 460150360 /nfs/dbraw/zinc/15/03/60/460150360.db2.gz AKFMCHNXKLZYDY-MRXNPFEDSA-N 0 0 346.427 3.480 10 5 EGBERN Nc1cc(NCc2ccc(C3CC3)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000589869676 460153634 /nfs/dbraw/zinc/15/36/34/460153634.db2.gz MPEHYQNEZFTWTR-UHFFFAOYSA-N 0 0 331.347 3.298 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594212262 460154494 /nfs/dbraw/zinc/15/44/94/460154494.db2.gz LZWFIDBTRGULDR-UHOFOFEASA-N 0 0 335.404 3.303 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000599102752 460161897 /nfs/dbraw/zinc/16/18/97/460161897.db2.gz TXHXZRLWBFOSSJ-ZDUSSCGKSA-N 0 0 335.367 3.235 10 5 EGBERN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)OC)c1 ZINC000599115462 460164121 /nfs/dbraw/zinc/16/41/21/460164121.db2.gz MWICWSMSPXKAPU-AWEZNQCLSA-N 0 0 337.763 3.451 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000599120117 460166418 /nfs/dbraw/zinc/16/64/18/460166418.db2.gz XSGZMLWOUBJHKF-UWVGGRQHSA-N 0 0 328.315 3.109 10 5 EGBERN Cc1cc(NCc2c(C(F)(F)F)cnn2C)c(F)cc1[N+](=O)[O-] ZINC000599123188 460166869 /nfs/dbraw/zinc/16/68/69/460166869.db2.gz BCYRRLQRQIFBKW-UHFFFAOYSA-N 0 0 332.257 3.407 10 5 EGBERN COc1ccc(CNC(=O)c2oc(C(F)F)cc2C)cc1[N+](=O)[O-] ZINC000599125574 460168146 /nfs/dbraw/zinc/16/81/46/460168146.db2.gz CPFVKTOKYMSWIY-UHFFFAOYSA-N 0 0 340.282 3.372 10 5 EGBERN COc1ccc(CN2CC[C@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138865 460172835 /nfs/dbraw/zinc/17/28/35/460172835.db2.gz HSJYTKYXCKGOPK-ZDUSSCGKSA-N 0 0 333.413 3.351 10 5 EGBERN Cc1cc(NC[C@H](C)c2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610517081 460173003 /nfs/dbraw/zinc/17/30/03/460173003.db2.gz WDJFGVKNGCLKLK-ZDUSSCGKSA-N 0 0 349.394 3.393 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599145807 460174711 /nfs/dbraw/zinc/17/47/11/460174711.db2.gz AZYLLAKXPDQDPK-JSGCOSHPSA-N 0 0 349.431 3.411 10 5 EGBERN CCO[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000599147250 460176068 /nfs/dbraw/zinc/17/60/68/460176068.db2.gz IWBNGAMPYYNFIH-SKDRFNHKSA-N 0 0 330.182 3.040 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000598114767 460178620 /nfs/dbraw/zinc/17/86/20/460178620.db2.gz YYVBRGFSWCGRFY-GHMZBOCLSA-N 0 0 336.413 3.004 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H]3c3ccsc3)n2)n1C ZINC000599154007 460179938 /nfs/dbraw/zinc/17/99/38/460179938.db2.gz NOXNHDMMKKAXGZ-VHSXEESVSA-N 0 0 331.357 3.019 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000599153778 460180193 /nfs/dbraw/zinc/18/01/93/460180193.db2.gz KKBKWGLBZFZBTJ-NEPJUHHUSA-N 0 0 343.318 3.179 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000599153781 460180283 /nfs/dbraw/zinc/18/02/83/460180283.db2.gz KKBKWGLBZFZBTJ-RYUDHWBXSA-N 0 0 343.318 3.179 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000599155938 460181435 /nfs/dbraw/zinc/18/14/35/460181435.db2.gz PBULYIDZDLEZGB-UHFFFAOYSA-N 0 0 331.319 3.260 10 5 EGBERN Cc1cn2c(n1)C[C@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000599163585 460181929 /nfs/dbraw/zinc/18/19/29/460181929.db2.gz DXZJXPHTESZAGL-GFCCVEGCSA-N 0 0 339.355 3.188 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599167867 460184548 /nfs/dbraw/zinc/18/45/48/460184548.db2.gz SDUPZTHKKMFPMJ-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Cc3nc(C4CCC4)no3)CC2)nc1 ZINC000599168026 460184736 /nfs/dbraw/zinc/18/47/36/460184736.db2.gz ZBNOWLRQPWLUBL-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000599169477 460185637 /nfs/dbraw/zinc/18/56/37/460185637.db2.gz BKBMDMGBDWFUPT-UHFFFAOYSA-N 0 0 325.796 3.309 10 5 EGBERN O=[N+]([O-])c1cc(N2C[C@@H]3CCC[C@]3(CO)C2)ccc1C(F)(F)F ZINC000599174160 460186649 /nfs/dbraw/zinc/18/66/49/460186649.db2.gz SBKRGRQXSGIDFS-IINYFYTJSA-N 0 0 330.306 3.212 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000599181419 460190114 /nfs/dbraw/zinc/19/01/14/460190114.db2.gz AGAYBCLUEBPIEY-JTQLQIEISA-N 0 0 343.387 3.333 10 5 EGBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000614652275 460192521 /nfs/dbraw/zinc/19/25/21/460192521.db2.gz ATDLRXSSDISNKY-INIZCTEOSA-N 0 0 332.331 3.046 10 5 EGBERN Cc1sc(C(=O)NCc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000610603401 460195889 /nfs/dbraw/zinc/19/58/89/460195889.db2.gz VEFKGGGTPJGBGL-UHFFFAOYSA-N 0 0 348.277 3.451 10 5 EGBERN Cc1nc(NCc2ccccc2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000599197586 460197076 /nfs/dbraw/zinc/19/70/76/460197076.db2.gz MOTZNZIAYQMHTK-UHFFFAOYSA-N 0 0 325.290 3.437 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594402578 460207047 /nfs/dbraw/zinc/20/70/47/460207047.db2.gz RTXXGCFULQMCJF-XYPYZODXSA-N 0 0 326.780 3.324 10 5 EGBERN C[C@@H](C(=O)NCC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598217994 460208117 /nfs/dbraw/zinc/20/81/17/460208117.db2.gz FTKDLJGNYREXCI-OTYXRUKQSA-N 0 0 330.306 3.389 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCCO1 ZINC000594410558 460209696 /nfs/dbraw/zinc/20/96/96/460209696.db2.gz JKIBUNITFIVBEB-ZBFHGGJFSA-N 0 0 331.372 3.154 10 5 EGBERN CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCCO1 ZINC000594411442 460210389 /nfs/dbraw/zinc/21/03/89/460210389.db2.gz RKVVYLZQPDJRTN-DOMZBBRYSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598221373 460210881 /nfs/dbraw/zinc/21/08/81/460210881.db2.gz RNIYIVJGMDJNPP-LBPRGKRZSA-N 0 0 335.379 3.381 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](CCF)C2)c1 ZINC000598221765 460211743 /nfs/dbraw/zinc/21/17/43/460211743.db2.gz URUDATSNQGZKCU-CQSZACIVSA-N 0 0 338.379 3.270 10 5 EGBERN COC(=O)c1occc1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000598238593 460217774 /nfs/dbraw/zinc/21/77/74/460217774.db2.gz LKYKDQVRZIVLLQ-UHFFFAOYSA-N 0 0 346.339 3.028 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000614830139 460230842 /nfs/dbraw/zinc/23/08/42/460230842.db2.gz KYDAFGBOMJSLHX-NSHDSACASA-N 0 0 339.701 3.191 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OCC ZINC000610768731 460233219 /nfs/dbraw/zinc/23/32/19/460233219.db2.gz AJMRSTHVSOUTJG-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN COC(=O)c1cc(NCCc2nc(C)cs2)cc(C)c1[N+](=O)[O-] ZINC000610769562 460234188 /nfs/dbraw/zinc/23/41/88/460234188.db2.gz FTZCZHOTYCXPKR-UHFFFAOYSA-N 0 0 335.385 3.109 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000610878922 460254408 /nfs/dbraw/zinc/25/44/08/460254408.db2.gz WBLHUVMRFVKSOJ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000599528822 460268276 /nfs/dbraw/zinc/26/82/76/460268276.db2.gz HNGDPIAUENFBON-OTDNITJGSA-N 0 0 330.431 3.023 10 5 EGBERN CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033499 460280919 /nfs/dbraw/zinc/28/09/19/460280919.db2.gz MSUDAWHJYFFSNM-ZBFHGGJFSA-N 0 0 340.445 3.373 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])C1CCc2ccccc2CC1 ZINC000599597488 460285141 /nfs/dbraw/zinc/28/51/41/460285141.db2.gz DVMCVIIQRJXCLD-UHFFFAOYSA-N 0 0 338.407 3.449 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2nccn2c1 ZINC000615197509 460291872 /nfs/dbraw/zinc/29/18/72/460291872.db2.gz WDIXABJPXVTXIV-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611152823 460297399 /nfs/dbraw/zinc/29/73/99/460297399.db2.gz QPBBKRVAWBTWCZ-OAHLLOKOSA-N 0 0 338.379 3.430 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000599648170 460297846 /nfs/dbraw/zinc/29/78/46/460297846.db2.gz UXFSCHSKACOHBK-SFHVURJKSA-N 0 0 346.358 3.220 10 5 EGBERN COC(=O)[C@@](C)(NCCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000599651706 460298569 /nfs/dbraw/zinc/29/85/69/460298569.db2.gz IXFLAZVZZAKBBU-IBGZPJMESA-N 0 0 342.395 3.124 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C(F)F)C1 ZINC000611180216 460302661 /nfs/dbraw/zinc/30/26/61/460302661.db2.gz UTDIJBOHSLJOTJ-RKDXNWHRSA-N 0 0 347.749 3.162 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599777617 460332846 /nfs/dbraw/zinc/33/28/46/460332846.db2.gz AWJRGNPYJMKORG-NEPJUHHUSA-N 0 0 337.401 3.105 10 5 EGBERN CCCC[C@H](COC)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830866 460343640 /nfs/dbraw/zinc/34/36/40/460343640.db2.gz XMOHSKQBLCALDR-GFCCVEGCSA-N 0 0 346.387 3.470 10 5 EGBERN CC(C)SCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836630 460345371 /nfs/dbraw/zinc/34/53/71/460345371.db2.gz VKGHPVHTISIRTH-UHFFFAOYSA-N 0 0 334.401 3.406 10 5 EGBERN C[C@@H]1CSC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836530 460345473 /nfs/dbraw/zinc/34/54/73/460345473.db2.gz SVVKBEBKLPZENJ-NOZJJQNGSA-N 0 0 332.385 3.016 10 5 EGBERN COc1ccc(CNC(=O)CCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000604016642 460369073 /nfs/dbraw/zinc/36/90/73/460369073.db2.gz LMOXSMJMPLSVFV-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](F)C2)cc1SC ZINC000611506987 460381932 /nfs/dbraw/zinc/38/19/32/460381932.db2.gz VKQVYOOUUGCFNX-MWLCHTKSSA-N 0 0 342.392 3.145 10 5 EGBERN C[C@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590184 460392280 /nfs/dbraw/zinc/39/22/80/460392280.db2.gz NQPXRPALNLHIHE-WCQYABFASA-N 0 0 331.397 3.258 10 5 EGBERN Cn1ccnc1[C@@H](NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000611560293 460398667 /nfs/dbraw/zinc/39/86/67/460398667.db2.gz PZVVYZOFWQHCRI-HNNXBMFYSA-N 0 0 346.774 3.454 10 5 EGBERN COc1cccc2c1OC[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000611616106 460414839 /nfs/dbraw/zinc/41/48/39/460414839.db2.gz PNQJJYJHSQHQJU-ZDUSSCGKSA-N 0 0 329.356 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(F)c3F)CC2)n1 ZINC000611616434 460414849 /nfs/dbraw/zinc/41/48/49/460414849.db2.gz OMROSGXBCZUEKN-UHFFFAOYSA-N 0 0 348.353 3.211 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600166337 460415982 /nfs/dbraw/zinc/41/59/82/460415982.db2.gz ZQOXDNUKJKDGRH-JTQLQIEISA-N 0 0 346.305 3.160 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600171489 460419464 /nfs/dbraw/zinc/41/94/64/460419464.db2.gz WEEIHCDPBANXDN-FRRDWIJNSA-N 0 0 327.384 3.171 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000600177209 460422079 /nfs/dbraw/zinc/42/20/79/460422079.db2.gz IOOCNZBIKYHSHE-KRWDZBQOSA-N 0 0 340.379 3.029 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC(c4cccnc4)CC3)c2c1 ZINC000611712742 460437026 /nfs/dbraw/zinc/43/70/26/460437026.db2.gz PGKWXGSCJDQLIR-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000604559839 460447583 /nfs/dbraw/zinc/44/75/83/460447583.db2.gz CBRCYCKMBFQSHH-KRWDZBQOSA-N 0 0 325.368 3.448 10 5 EGBERN CCCOc1cncc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000600365359 460483849 /nfs/dbraw/zinc/48/38/49/460483849.db2.gz GAOQBMRMNMYQRZ-UHFFFAOYSA-N 0 0 345.355 3.430 10 5 EGBERN CCC(F)(F)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600379604 460486657 /nfs/dbraw/zinc/48/66/57/460486657.db2.gz HHWPLCPUJKNUQQ-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000600440640 460495925 /nfs/dbraw/zinc/49/59/25/460495925.db2.gz QJZKHPJVIZYJCU-GXTWGEPZSA-N 0 0 331.397 3.131 10 5 EGBERN Cc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n1C(C)C ZINC000600535686 460514663 /nfs/dbraw/zinc/51/46/63/460514663.db2.gz QXXDZBGYDASXLD-UHFFFAOYSA-N 0 0 338.364 3.190 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000600537325 460515013 /nfs/dbraw/zinc/51/50/13/460515013.db2.gz QLLZMLYJUSXGLX-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600551760 460521104 /nfs/dbraw/zinc/52/11/04/460521104.db2.gz HJRVVJFXGXPAHO-QWRGUYRKSA-N 0 0 346.305 3.003 10 5 EGBERN CC(C)c1nc([C@H](CO)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000601187091 460743323 /nfs/dbraw/zinc/74/33/23/460743323.db2.gz NRAXNDIDLBHKCW-NSHDSACASA-N 0 0 325.365 3.459 10 5 EGBERN O=[N+]([O-])c1cc(N2CCO[C@@H](C(F)F)CC2)ccc1C(F)(F)F ZINC000601233345 460760293 /nfs/dbraw/zinc/76/02/93/460760293.db2.gz YXIKDMJSABNBDS-LLVKDONJSA-N 0 0 340.248 3.474 10 5 EGBERN CCOc1cc(CN2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219542 460776735 /nfs/dbraw/zinc/77/67/35/460776735.db2.gz OIRCNOSNMBWUOR-LBPRGKRZSA-N 0 0 330.331 3.197 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601303630 460782369 /nfs/dbraw/zinc/78/23/69/460782369.db2.gz HOIJJEFDAGQTOB-LBPRGKRZSA-N 0 0 338.410 3.100 10 5 EGBERN C[C@@H](NS(=O)(=O)C1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601310793 460783460 /nfs/dbraw/zinc/78/34/60/460783460.db2.gz UHNIJWSQUIBVCD-MQYJIDSJSA-N 0 0 326.418 3.154 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601320714 460787535 /nfs/dbraw/zinc/78/75/35/460787535.db2.gz JCIYYHZCACEOKG-GVDBMIGSSA-N 0 0 344.411 3.090 10 5 EGBERN CCCCCN(CCO)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601374025 460798424 /nfs/dbraw/zinc/79/84/24/460798424.db2.gz LKUNQJWAYHPXRA-UHFFFAOYSA-N 0 0 334.416 3.028 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601383488 460800676 /nfs/dbraw/zinc/80/06/76/460800676.db2.gz QRQVFZXYXKQDMY-XYPWUTKMSA-N 0 0 344.411 3.039 10 5 EGBERN C[C@@H]1CC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](C)O1 ZINC000601395011 460803575 /nfs/dbraw/zinc/80/35/75/460803575.db2.gz AWNLZVXVBJXEQR-CHWSQXEVSA-N 0 0 332.400 3.089 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000601398348 460804762 /nfs/dbraw/zinc/80/47/62/460804762.db2.gz CVAWFNARFNXBFD-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CCCc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000601409023 460805501 /nfs/dbraw/zinc/80/55/01/460805501.db2.gz HEMZZINOEQXVIX-UHFFFAOYSA-N 0 0 331.397 3.202 10 5 EGBERN CC(C)[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601404024 460806006 /nfs/dbraw/zinc/80/60/06/460806006.db2.gz FACSZYAYIOTERK-NVXWUHKLSA-N 0 0 346.427 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000617345430 460820799 /nfs/dbraw/zinc/82/07/99/460820799.db2.gz JQPNHLCSRYNDCN-OAHLLOKOSA-N 0 0 336.294 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000617345429 460820919 /nfs/dbraw/zinc/82/09/19/460820919.db2.gz JQPNHLCSRYNDCN-HNNXBMFYSA-N 0 0 336.294 3.097 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]1C(F)F ZINC000601606091 460845306 /nfs/dbraw/zinc/84/53/06/460845306.db2.gz RIFMWSWQXPHLTJ-LLVKDONJSA-N 0 0 339.323 3.198 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H](C)O1 ZINC000601643177 460854982 /nfs/dbraw/zinc/85/49/82/460854982.db2.gz DMENWCDZJKTILG-SMKXDYDZSA-N 0 0 347.415 3.050 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601653643 460858144 /nfs/dbraw/zinc/85/81/44/460858144.db2.gz BZEPPZXKIJTBCR-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)OC(C)C)C2)n1 ZINC000613284395 460895724 /nfs/dbraw/zinc/89/57/24/460895724.db2.gz GOWRSIKYELQNTQ-AWEZNQCLSA-N 0 0 335.404 3.165 10 5 EGBERN Cc1sc(C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601855605 460927420 /nfs/dbraw/zinc/92/74/20/460927420.db2.gz DBQMQVRWGRDYJF-CQSZACIVSA-N 0 0 338.429 3.434 10 5 EGBERN C[C@@H](C(=O)Nc1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601887129 460936651 /nfs/dbraw/zinc/93/66/51/460936651.db2.gz ZJLDMHDPFCMSPC-GFCCVEGCSA-N 0 0 328.372 3.334 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1cccc3ncccc13)CCCC2 ZINC000601918371 460942946 /nfs/dbraw/zinc/94/29/46/460942946.db2.gz SIUGOIXQXNGKJV-UHFFFAOYSA-N 0 0 335.363 3.232 10 5 EGBERN CCc1cc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])no1 ZINC000610097737 469980211 /nfs/dbraw/zinc/98/02/11/469980211.db2.gz POQDLKQSDLJQSP-UHFFFAOYSA-N 0 0 347.375 3.077 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000172968410 534335604 /nfs/dbraw/zinc/33/56/04/534335604.db2.gz MJQFLMFGLRIZTR-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN O=C(CSC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131659630 534657611 /nfs/dbraw/zinc/65/76/11/534657611.db2.gz VUNCZGKGGDFDNX-UHFFFAOYSA-N 0 0 330.793 3.099 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(C)on1 ZINC000184680955 535771958 /nfs/dbraw/zinc/77/19/58/535771958.db2.gz XCORKQZZSVSQHK-AWEZNQCLSA-N 0 0 331.372 3.119 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000343189527 536809419 /nfs/dbraw/zinc/80/94/19/536809419.db2.gz APYWKXAZVJHFLG-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000106600578 536913166 /nfs/dbraw/zinc/91/31/66/536913166.db2.gz IVRJPBDSDLSULY-HUUCEWRRSA-N 0 0 342.351 3.354 10 5 EGBERN COc1ncccc1-c1noc(-c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000356236664 537149331 /nfs/dbraw/zinc/14/93/31/537149331.db2.gz INCMWODEZWSHKB-UHFFFAOYSA-N 0 0 344.352 3.437 10 5 EGBERN CC1(C)Cc2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)c(O)c2O1 ZINC000727024488 574634148 /nfs/dbraw/zinc/63/41/48/574634148.db2.gz RZICENVAFKNGAY-UHFFFAOYSA-N 0 0 349.364 3.432 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)ccc1F ZINC000727055711 574638080 /nfs/dbraw/zinc/63/80/80/574638080.db2.gz SKZVRXQYCUQDRR-UHFFFAOYSA-N 0 0 340.257 3.054 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000729893139 574894480 /nfs/dbraw/zinc/89/44/80/574894480.db2.gz ZFPMZNHZUZXOAK-JTQLQIEISA-N 0 0 331.284 3.124 10 5 EGBERN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000730295513 574967301 /nfs/dbraw/zinc/96/73/01/574967301.db2.gz XSCRWPZGKDVKLT-SECBINFHSA-N 0 0 335.262 3.301 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731520147 575077979 /nfs/dbraw/zinc/07/79/79/575077979.db2.gz ZUAMHHSBEDDBGZ-UHFFFAOYSA-N 0 0 326.261 3.061 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2cccs2)o1 ZINC000731509827 575078293 /nfs/dbraw/zinc/07/82/93/575078293.db2.gz JGZHFTBECCSAIW-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN CCCCc1noc([C@H](C)OC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000731527920 575079260 /nfs/dbraw/zinc/07/92/60/575079260.db2.gz OJUTWFDTOAGVQU-VIFPVBQESA-N 0 0 337.307 3.378 10 5 EGBERN C[C@H](OC(=O)/C=C\C(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000732405429 575267609 /nfs/dbraw/zinc/26/76/09/575267609.db2.gz HSCBDKJCERKVHJ-DMEOUFDRSA-N 0 0 338.335 3.206 10 5 EGBERN COc1cccc(C[C@H](C)Nc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000732983074 575299062 /nfs/dbraw/zinc/29/90/62/575299062.db2.gz WZHUFBXMZGPNNZ-JTQLQIEISA-N 0 0 328.328 3.183 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000734402246 575480023 /nfs/dbraw/zinc/48/00/23/575480023.db2.gz JXSIVNNUIAALKL-KGLIPLIRSA-N 0 0 344.415 3.277 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2c(c1)CCC2 ZINC000734564020 575514783 /nfs/dbraw/zinc/51/47/83/575514783.db2.gz NLPRLCYSFDXFBL-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN CC(C)(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000734590803 575522328 /nfs/dbraw/zinc/52/23/28/575522328.db2.gz LQEHLUWHNSDKQL-UHFFFAOYSA-N 0 0 333.365 3.360 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2c(F)cccc2F)nc2ccccn21 ZINC000734831861 575562116 /nfs/dbraw/zinc/56/21/16/575562116.db2.gz DRPZXDZNBWVYKL-BXKDBHETSA-N 0 0 330.294 3.489 10 5 EGBERN O=C(/C=C\C1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000735423555 575659430 /nfs/dbraw/zinc/65/94/30/575659430.db2.gz CMICECICEAUBIC-KHPPLWFESA-N 0 0 343.427 3.380 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])OCC1(C(F)(F)F)CC1 ZINC000739342141 576399913 /nfs/dbraw/zinc/39/99/13/576399913.db2.gz WSUDHODRTSKKGL-UHFFFAOYSA-N 0 0 332.278 3.283 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739628139 576435950 /nfs/dbraw/zinc/43/59/50/576435950.db2.gz PMUOMEASNGJOIT-CQSZACIVSA-N 0 0 330.388 3.126 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000744190428 576822705 /nfs/dbraw/zinc/82/27/05/576822705.db2.gz RZVCELATOVVSKD-DAXOMENPSA-N 0 0 349.383 3.354 10 5 EGBERN COc1cccc(CCCOC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000744234414 576823737 /nfs/dbraw/zinc/82/37/37/576823737.db2.gz HZMDKNWBHQDUFU-UHFFFAOYSA-N 0 0 330.340 3.096 10 5 EGBERN COc1ccc(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC000744315510 576825212 /nfs/dbraw/zinc/82/52/12/576825212.db2.gz BOOFOKMHAVNTML-LLVKDONJSA-N 0 0 348.380 3.222 10 5 EGBERN COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000744316802 576825272 /nfs/dbraw/zinc/82/52/72/576825272.db2.gz QYQQTEZUOXYSMY-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN Cc1sc(C(=O)OCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000744682400 576832741 /nfs/dbraw/zinc/83/27/41/576832741.db2.gz SCTDMEKBMLFXCW-UHFFFAOYSA-N 0 0 333.365 3.299 10 5 EGBERN Cc1ccc2[nH]c(CNC(=S)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000745180863 576843200 /nfs/dbraw/zinc/84/32/00/576843200.db2.gz QYVJIYFRULQLQR-UHFFFAOYSA-N 0 0 341.396 3.266 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000745182732 576843247 /nfs/dbraw/zinc/84/32/47/576843247.db2.gz ZZCHTMIPUPJMOY-UHFFFAOYSA-N 0 0 344.396 3.386 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000698342437 1298168091 /nfs/dbraw/zinc/16/80/91/1298168091.db2.gz UCGWKGMWMRVWOX-ONGXEEELSA-N 0 0 339.189 3.133 10 5 EGBERN CC(=O)CCCOC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000895741832 1309499842 /nfs/dbraw/zinc/49/98/42/1309499842.db2.gz QMOFJWQTVCVGSW-CYBMUJFWSA-N 0 0 348.399 3.357 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000863846942 1329585125 /nfs/dbraw/zinc/58/51/25/1329585125.db2.gz SMTNMAFCBJUOLY-UHFFFAOYSA-N 0 0 346.183 3.180 10 5 EGBERN Cc1cccn2cc(CNCc3cc([N+](=O)[O-])ccc3Cl)nc12 ZINC000123986941 1293462763 /nfs/dbraw/zinc/46/27/63/1293462763.db2.gz IZQUVPRHZKNNDC-UHFFFAOYSA-N 0 0 330.775 3.494 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1cccc([N+](=O)[O-])c1Br ZINC000135104715 1293787822 /nfs/dbraw/zinc/78/78/22/1293787822.db2.gz KPXJSJIWYUBVEK-SECBINFHSA-N 0 0 332.150 3.078 10 5 EGBERN COC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171312686 1294402533 /nfs/dbraw/zinc/40/25/33/1294402533.db2.gz BFGSNZZYYHKHOL-CQSZACIVSA-N 0 0 334.759 3.366 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000869934256 1295545881 /nfs/dbraw/zinc/54/58/81/1295545881.db2.gz SXWIIGDACCKTPR-UYJPIKCFSA-N 0 0 339.775 3.497 10 5 EGBERN C[C@@H](OC(=O)c1cccn(C(C)(C)C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000869979107 1295571708 /nfs/dbraw/zinc/57/17/08/1295571708.db2.gz XGXINXRAOLGIPK-GFCCVEGCSA-N 0 0 344.367 3.430 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)/C=C/COC1CCOCC1 ZINC000870037714 1295609297 /nfs/dbraw/zinc/60/92/97/1295609297.db2.gz DDVXRZDDNIMUCW-RDFMZFSFSA-N 0 0 349.383 3.259 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000870503005 1295910027 /nfs/dbraw/zinc/91/00/27/1295910027.db2.gz BGMZRRDGNYXEBR-CZUORRHYSA-N 0 0 346.408 3.303 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCc2nccnc21 ZINC000870540990 1295932305 /nfs/dbraw/zinc/93/23/05/1295932305.db2.gz JGIGGCBKVRBEIZ-OAHLLOKOSA-N 0 0 327.340 3.236 10 5 EGBERN O=C(O[C@H]1CCCc2nccnc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000870541943 1295933849 /nfs/dbraw/zinc/93/38/49/1295933849.db2.gz POMZOCMHCIUETR-LZWOXQAQSA-N 0 0 339.351 3.109 10 5 EGBERN Cc1cc(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000870822242 1296101577 /nfs/dbraw/zinc/10/15/77/1296101577.db2.gz CXODJTQKVLARNJ-HAQNSBGRSA-N 0 0 333.262 3.170 10 5 EGBERN CC[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870828574 1296106077 /nfs/dbraw/zinc/10/60/77/1296106077.db2.gz RYKHDXRAJFREFX-AVVWSFFYSA-N 0 0 347.346 3.371 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1sccc1C1CC1 ZINC000870830226 1296107842 /nfs/dbraw/zinc/10/78/42/1296107842.db2.gz XSRGLPGSOJPHCC-UHFFFAOYSA-N 0 0 333.369 3.291 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2CCCS2)c1 ZINC000871027539 1296183777 /nfs/dbraw/zinc/18/37/77/1296183777.db2.gz RBCUWNBAVSWYJV-CYBMUJFWSA-N 0 0 338.429 3.074 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000871199393 1296270035 /nfs/dbraw/zinc/27/00/35/1296270035.db2.gz POCVRQICHUNJLV-UGFHNGPFSA-N 0 0 338.791 3.014 10 5 EGBERN CCC(CC)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])C(F)(F)F ZINC000871262388 1296300609 /nfs/dbraw/zinc/30/06/09/1296300609.db2.gz FLROBPXJZGMDCK-UHFFFAOYSA-N 0 0 333.310 3.276 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000871301475 1296331351 /nfs/dbraw/zinc/33/13/51/1296331351.db2.gz HKALAEVIWYGACU-VJXXYTJISA-N 0 0 344.411 3.320 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](OC3CCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000871330726 1296356117 /nfs/dbraw/zinc/35/61/17/1296356117.db2.gz HKVHHUTVTNCWTJ-AWEZNQCLSA-N 0 0 347.415 3.049 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871572308 1296434558 /nfs/dbraw/zinc/43/45/58/1296434558.db2.gz YCOVWKIFNNLARA-NSHDSACASA-N 0 0 338.791 3.185 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1Cl ZINC000871587191 1296444580 /nfs/dbraw/zinc/44/45/80/1296444580.db2.gz QEQNUTODOVFGKC-LLVKDONJSA-N 0 0 338.791 3.185 10 5 EGBERN CC1(C)CC[C@H](COc2ccc(Br)nc2[N+](=O)[O-])OC1 ZINC000871693859 1296484108 /nfs/dbraw/zinc/48/41/08/1296484108.db2.gz FZWDNBXGEXPCOA-SECBINFHSA-N 0 0 345.193 3.336 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(Cc2csc(C3CC3)n2)n1 ZINC000871823025 1296547422 /nfs/dbraw/zinc/54/74/22/1296547422.db2.gz BMTWPADQTJFALT-UHFFFAOYSA-N 0 0 342.380 3.493 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000871847996 1296566196 /nfs/dbraw/zinc/56/61/96/1296566196.db2.gz WHCLOSKIWBJJNI-AWEZNQCLSA-N 0 0 331.372 3.144 10 5 EGBERN COCCOc1ncccc1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022215 1296665021 /nfs/dbraw/zinc/66/50/21/1296665021.db2.gz HTYFKTZIFCFEKU-LBPRGKRZSA-N 0 0 349.362 3.005 10 5 EGBERN CNC(=O)C[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069685 1296716966 /nfs/dbraw/zinc/71/69/66/1296716966.db2.gz SEYAMWZTWJULAJ-DOMZBBRYSA-N 0 0 345.374 3.262 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000872085020 1296725609 /nfs/dbraw/zinc/72/56/09/1296725609.db2.gz MLSVJPPTUBFQQX-KWBADKCTSA-N 0 0 333.417 3.265 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000873573258 1297597975 /nfs/dbraw/zinc/59/79/75/1297597975.db2.gz YVHACZLSCGMYJW-WFASDCNBSA-N 0 0 337.372 3.354 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)CCO2 ZINC000875295400 1298286743 /nfs/dbraw/zinc/28/67/43/1298286743.db2.gz LJFVGZFVGOMYSA-GJZGRUSLSA-N 0 0 340.763 3.120 10 5 EGBERN O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879016362 1300320179 /nfs/dbraw/zinc/32/01/79/1300320179.db2.gz MQRMHGHEQAJYQS-KSSFIOAISA-N 0 0 344.411 3.401 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC000881508724 1301588101 /nfs/dbraw/zinc/58/81/01/1301588101.db2.gz GJGGMFNWIRQSMG-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(Cl)n1 ZINC000881884345 1301750338 /nfs/dbraw/zinc/75/03/38/1301750338.db2.gz PXQKUPIJNATZDU-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000882086211 1301822132 /nfs/dbraw/zinc/82/21/32/1301822132.db2.gz DJDUDWLSFWFHGE-WBMJQRKESA-N 0 0 328.372 3.081 10 5 EGBERN CC(=O)c1c(NCCn2ccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000882715649 1302075024 /nfs/dbraw/zinc/07/50/24/1302075024.db2.gz KRMQPPSQGBRAPW-UHFFFAOYSA-N 0 0 342.277 3.125 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1cnn(C)c1)C(C)C ZINC000885423462 1303137655 /nfs/dbraw/zinc/13/76/55/1303137655.db2.gz BKRWTXUHWCNDPJ-VEMDQMBVSA-N 0 0 342.399 3.245 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000885475372 1303155574 /nfs/dbraw/zinc/15/55/74/1303155574.db2.gz WOKGDBXFKCKXIU-LGNMEBTLSA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000888017051 1304014375 /nfs/dbraw/zinc/01/43/75/1304014375.db2.gz FKPHZYUDYSBRHO-OANVXVOSSA-N 0 0 328.290 3.409 10 5 EGBERN C/C(=C\C(=O)N[C@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000890414964 1304780150 /nfs/dbraw/zinc/78/01/50/1304780150.db2.gz KJFDTKPNXKYBQN-DBTPVHCXSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC12CCCC2 ZINC000890415983 1304781386 /nfs/dbraw/zinc/78/13/86/1304781386.db2.gz WXUZPAILVYULRB-CJTWTEFWSA-N 0 0 330.384 3.216 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000890770462 1304877111 /nfs/dbraw/zinc/87/71/11/1304877111.db2.gz FNGNEGDWXYLBJG-GDBMZVCRSA-N 0 0 343.427 3.282 10 5 EGBERN CC(=O)c1cncc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000893026057 1305666891 /nfs/dbraw/zinc/66/68/91/1305666891.db2.gz KZSGOWQVFQIRSG-UHFFFAOYSA-N 0 0 339.351 3.176 10 5 EGBERN CCNc1ccc(C(=O)NCC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000893363115 1305848636 /nfs/dbraw/zinc/84/86/36/1305848636.db2.gz RTGTUQPMVPTSEN-UHFFFAOYSA-N 0 0 327.331 3.192 10 5 EGBERN O=C(OCCc1ccns1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893366699 1305850525 /nfs/dbraw/zinc/85/05/25/1305850525.db2.gz QZKNKOKDRFTDOM-UHFFFAOYSA-N 0 0 332.381 3.259 10 5 EGBERN COCC1CC(OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000893641222 1306002297 /nfs/dbraw/zinc/00/22/97/1306002297.db2.gz WENBDZZLVXOFMN-UHFFFAOYSA-N 0 0 337.375 3.263 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCOC1 ZINC000893857385 1306100813 /nfs/dbraw/zinc/10/08/13/1306100813.db2.gz NVSUDJMAXYQOIA-SWLSCSKDSA-N 0 0 343.383 3.078 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccns1 ZINC000894062882 1306198640 /nfs/dbraw/zinc/19/86/40/1306198640.db2.gz FYNHAWLYCXQJLF-UHFFFAOYSA-N 0 0 337.426 3.436 10 5 EGBERN CSc1ccc(C(=O)NCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000894281531 1306318552 /nfs/dbraw/zinc/31/85/52/1306318552.db2.gz WYCMSSDDQQVLAB-UHFFFAOYSA-N 0 0 333.369 3.112 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894402237 1308856331 /nfs/dbraw/zinc/85/63/31/1308856331.db2.gz HEUIJKZWDDKTKU-NSHDSACASA-N 0 0 338.791 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC3(CCC3)CO2)c1F ZINC000894529749 1308939791 /nfs/dbraw/zinc/93/97/91/1308939791.db2.gz XQHLSBKOBSXTDJ-CYBMUJFWSA-N 0 0 336.363 3.121 10 5 EGBERN C[C@@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000894671147 1309015644 /nfs/dbraw/zinc/01/56/44/1309015644.db2.gz BELXBAKRQCOVCC-GNJLHFKMSA-N 0 0 344.411 3.464 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H]([C@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894704148 1309029539 /nfs/dbraw/zinc/02/95/39/1309029539.db2.gz NCYWJGQJGGFOEN-HSYXRWIHSA-N 0 0 330.384 3.026 10 5 EGBERN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000894909813 1309124738 /nfs/dbraw/zinc/12/47/38/1309124738.db2.gz RALRVXITSTXSIA-CQSZACIVSA-N 0 0 336.388 3.083 10 5 EGBERN COc1cc(CN2CC[C@@H]2C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000895437981 1309335087 /nfs/dbraw/zinc/33/50/87/1309335087.db2.gz XHUUCQLXSYJOGB-MRVPVSSYSA-N 0 0 338.257 3.044 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000895445067 1309339989 /nfs/dbraw/zinc/33/99/89/1309339989.db2.gz HNKVLTORFBUELP-ZWNOBZJWSA-N 0 0 332.278 3.319 10 5 EGBERN COC(=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1C ZINC000895615460 1309430522 /nfs/dbraw/zinc/43/05/22/1309430522.db2.gz DFKWNSRHIAJTGF-NXEZZACHSA-N 0 0 328.315 3.168 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CC(C)(C)CC(F)(F)F)n2)n1C ZINC000896245643 1309767523 /nfs/dbraw/zinc/76/75/23/1309767523.db2.gz AZMDCYVUDHBXAA-UHFFFAOYSA-N 0 0 347.297 3.208 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C2CCOCC2)C1 ZINC000896592294 1309928367 /nfs/dbraw/zinc/92/83/67/1309928367.db2.gz RSSHVQZVYTXXPM-HNNXBMFYSA-N 0 0 332.400 3.440 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(C3CSC3)no2)c1 ZINC000896730116 1309991200 /nfs/dbraw/zinc/99/12/00/1309991200.db2.gz JNQNYVUNAKFNEY-UHFFFAOYSA-N 0 0 346.412 3.466 10 5 EGBERN Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000896854136 1310053241 /nfs/dbraw/zinc/05/32/41/1310053241.db2.gz XCDOMTAMUJVAHD-ZDUSSCGKSA-N 0 0 330.388 3.021 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)c3cccc(F)c3)no2)n1 ZINC000897076920 1310168553 /nfs/dbraw/zinc/16/85/53/1310168553.db2.gz KQFSYTSAIAPISR-SECBINFHSA-N 0 0 331.307 3.152 10 5 EGBERN Nc1c(C(=O)N2CC[C@@H]2C(F)(F)F)cc2ccccc2c1[N+](=O)[O-] ZINC000897797638 1310471669 /nfs/dbraw/zinc/47/16/69/1310471669.db2.gz RSOJFVXDRVMNSG-LLVKDONJSA-N 0 0 339.273 3.107 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898411235 1310723367 /nfs/dbraw/zinc/72/33/67/1310723367.db2.gz UWEBMKOCCHCFBQ-GOSISDBHSA-N 0 0 337.379 3.286 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ncccn1 ZINC000898974427 1310894684 /nfs/dbraw/zinc/89/46/84/1310894684.db2.gz PVAOAGLHZBKUOH-BFFYNSAMSA-N 0 0 338.367 3.152 10 5 EGBERN CCOc1cc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000917552710 1319833761 /nfs/dbraw/zinc/83/37/61/1319833761.db2.gz KQWBCPCHGBMMSQ-GWCFXTLKSA-N 0 0 335.278 3.482 10 5 EGBERN CO[C@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000857633939 1328570702 /nfs/dbraw/zinc/57/07/02/1328570702.db2.gz AHNMGPAVTRJWOX-AWEZNQCLSA-N 0 0 338.316 3.004 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000857667368 1328579911 /nfs/dbraw/zinc/57/99/11/1328579911.db2.gz UFIPZDJJKDZPQH-LBPRGKRZSA-N 0 0 336.363 3.216 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)nc1 ZINC000858009639 1328655131 /nfs/dbraw/zinc/65/51/31/1328655131.db2.gz RMZIJFKXVWPZEP-LLVKDONJSA-N 0 0 334.763 3.004 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cn1 ZINC000858009110 1328655452 /nfs/dbraw/zinc/65/54/52/1328655452.db2.gz PJEKKSIUFQWTDX-MRXNPFEDSA-N 0 0 340.383 3.310 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035987 1328666483 /nfs/dbraw/zinc/66/64/83/1328666483.db2.gz CGZDFTDGMHZBEK-ZDUSSCGKSA-N 0 0 331.347 3.091 10 5 EGBERN CNc1nccc(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000899376954 1317010328 /nfs/dbraw/zinc/01/03/28/1317010328.db2.gz SHDQSHWFMDGXOG-IUODEOHRSA-N 0 0 340.383 3.255 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899444875 1317039755 /nfs/dbraw/zinc/03/97/55/1317039755.db2.gz VTTAUYGOVYCZEP-NVXWUHKLSA-N 0 0 346.408 3.187 10 5 EGBERN CCSc1c[nH]c(=O)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000930074086 1328778781 /nfs/dbraw/zinc/77/87/81/1328778781.db2.gz KJACMNCBIHOHLF-UHFFFAOYSA-N 0 0 347.396 3.080 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930074038 1328778863 /nfs/dbraw/zinc/77/88/63/1328778863.db2.gz JGEGDNLIINBNHY-YPMHNXCESA-N 0 0 346.305 3.053 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccns1 ZINC000858576267 1328797616 /nfs/dbraw/zinc/79/76/16/1328797616.db2.gz ATPDNBBONGTDDI-GHMZBOCLSA-N 0 0 334.401 3.119 10 5 EGBERN CC[C@H]1C[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000913385273 1319019978 /nfs/dbraw/zinc/01/99/78/1319019978.db2.gz VTMQNSJATAOMMO-MNOVXSKESA-N 0 0 344.770 3.209 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc(C2CC2)o1 ZINC000913385484 1319020029 /nfs/dbraw/zinc/02/00/29/1319020029.db2.gz CKSRBTHAVKUGDB-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN O=C(CCC(F)(F)F)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385293 1319020085 /nfs/dbraw/zinc/02/00/85/1319020085.db2.gz WUMYYARXDHMHBW-UHFFFAOYSA-N 0 0 328.649 3.346 10 5 EGBERN CCc1c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)ccn1C ZINC000913385249 1319020560 /nfs/dbraw/zinc/02/05/60/1319020560.db2.gz UQDUBMDLRDCQAT-UHFFFAOYSA-N 0 0 339.754 3.218 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2CSC[C@H]2C1 ZINC000913759109 1319117258 /nfs/dbraw/zinc/11/72/58/1319117258.db2.gz IOBTVDZDPXIUQA-WCBMZHEXSA-N 0 0 344.795 3.212 10 5 EGBERN Cc1sc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000914908032 1319397714 /nfs/dbraw/zinc/39/77/14/1319397714.db2.gz XCKCXRFFIHEKAW-ZETCQYMHSA-N 0 0 325.346 3.389 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SC[C@H]3CCC4(COC4)O3)sc2c1 ZINC000915674961 1319516631 /nfs/dbraw/zinc/51/66/31/1319516631.db2.gz SVHWRULODFPBDN-SNVBAGLBSA-N 0 0 338.410 3.245 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC000916696354 1319696984 /nfs/dbraw/zinc/69/69/84/1319696984.db2.gz WQLGSVBZZRNYIC-GUDFOSOFSA-N 0 0 327.283 3.052 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)CN1C(=O)OC(C)(C)C ZINC000858780290 1328859687 /nfs/dbraw/zinc/85/96/87/1328859687.db2.gz MHRVJMRBLXFJJL-DGCLKSJQSA-N 0 0 336.392 3.190 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(OC(F)F)cc1 ZINC000918504356 1319961938 /nfs/dbraw/zinc/96/19/38/1319961938.db2.gz OBEVBUPIGUHGRR-UHFFFAOYSA-N 0 0 337.278 3.482 10 5 EGBERN CCc1nn(C)c(N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000858805285 1328865975 /nfs/dbraw/zinc/86/59/75/1328865975.db2.gz FRWRDAJNAYDPDO-SOUVJXGZSA-N 0 0 326.400 3.131 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000858829494 1328869834 /nfs/dbraw/zinc/86/98/34/1328869834.db2.gz HOWUJVWHYSRYHR-JTQLQIEISA-N 0 0 334.401 3.363 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000858829495 1328870004 /nfs/dbraw/zinc/87/00/04/1328870004.db2.gz HOWUJVWHYSRYHR-SNVBAGLBSA-N 0 0 334.401 3.363 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000859432620 1328986122 /nfs/dbraw/zinc/98/61/22/1328986122.db2.gz YLBFAARKOGMYMN-OTDNITJGSA-N 0 0 330.431 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@]12C[C@H]1COC21CCC1 ZINC000930863095 1328990375 /nfs/dbraw/zinc/99/03/75/1328990375.db2.gz NCNVVSXQKQOUDR-YVEFUNNKSA-N 0 0 331.372 3.045 10 5 EGBERN CCOc1ccccc1OCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918839913 1322002259 /nfs/dbraw/zinc/00/22/59/1322002259.db2.gz ZVWVYKFSBYHQQW-UHFFFAOYSA-N 0 0 337.353 3.177 10 5 EGBERN CNc1ccc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000920155509 1322145839 /nfs/dbraw/zinc/14/58/39/1322145839.db2.gz VEDVWKSAGQRLNS-JTQLQIEISA-N 0 0 345.311 3.463 10 5 EGBERN Cc1noc(C)c1CCn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC000920412515 1322174272 /nfs/dbraw/zinc/17/42/72/1322174272.db2.gz SFWRCZDTEDDBDL-UHFFFAOYSA-N 0 0 347.762 3.354 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3cc(C4CC4)no3)n2)c1 ZINC000920416550 1322175517 /nfs/dbraw/zinc/17/55/17/1322175517.db2.gz DHNDLEHKYNZVTE-UHFFFAOYSA-N 0 0 345.746 3.420 10 5 EGBERN CN(CCc1ccncc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930937187 1329012243 /nfs/dbraw/zinc/01/22/43/1329012243.db2.gz XHHIXQONHMXUBT-UHFFFAOYSA-N 0 0 347.802 3.277 10 5 EGBERN Cc1nc(C2(NCc3cc(F)ccc3[N+](=O)[O-])CCCCC2)no1 ZINC000921193305 1322271919 /nfs/dbraw/zinc/27/19/19/1322271919.db2.gz XVKCFURAKCAMOV-UHFFFAOYSA-N 0 0 334.351 3.375 10 5 EGBERN CC[C@H](NC(=O)N1CCn2cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000921334065 1322295004 /nfs/dbraw/zinc/29/50/04/1322295004.db2.gz DRNIPZUDDAGPEW-INIZCTEOSA-N 0 0 328.372 3.073 10 5 EGBERN C[C@@H]1C[C@H]1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000859583700 1329025010 /nfs/dbraw/zinc/02/50/10/1329025010.db2.gz XEKPTUALFIVERO-RQJHMYQMSA-N 0 0 332.125 3.309 10 5 EGBERN C[C@@H]1C[C@@H]1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000859583699 1329025208 /nfs/dbraw/zinc/02/52/08/1329025208.db2.gz XEKPTUALFIVERO-RNFRBKRXSA-N 0 0 332.125 3.309 10 5 EGBERN Cc1ccc(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922171018 1322470983 /nfs/dbraw/zinc/47/09/83/1322470983.db2.gz GPRGUNAKGRVWKY-PWSUYJOCSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1c(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922183403 1322474239 /nfs/dbraw/zinc/47/42/39/1322474239.db2.gz DILPYCZPOMVFGU-JOYOIKCWSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@@H](NC(=O)NCCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000922522794 1322547939 /nfs/dbraw/zinc/54/79/39/1322547939.db2.gz GOYDNJKVUMSBCZ-LLVKDONJSA-N 0 0 334.401 3.044 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000922523294 1322548291 /nfs/dbraw/zinc/54/82/91/1322548291.db2.gz JXOIVRAYWYTHRK-GZMMTYOYSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000922917390 1322648641 /nfs/dbraw/zinc/64/86/41/1322648641.db2.gz GPBNPVSPBPLORC-GMSGAONNSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC2(CCCC2)C1 ZINC000923427116 1322749513 /nfs/dbraw/zinc/74/95/13/1322749513.db2.gz RNBGCUIBJMCIGG-AWEZNQCLSA-N 0 0 349.383 3.256 10 5 EGBERN Cc1cc(Cc2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)ccc1[N+](=O)[O-] ZINC000923946651 1322853629 /nfs/dbraw/zinc/85/36/29/1322853629.db2.gz QNWSYDRZWKBGRB-GDBMZVCRSA-N 0 0 343.383 3.377 10 5 EGBERN CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859672452 1329051119 /nfs/dbraw/zinc/05/11/19/1329051119.db2.gz FWXADLAFSBCNPW-LBPRGKRZSA-N 0 0 344.367 3.066 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924366252 1322999168 /nfs/dbraw/zinc/99/91/68/1322999168.db2.gz KIGNLXCVRKBJAN-MAUKXSAKSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(-c2nc(-c3cnn(CCF)c3)no2)c1C ZINC000924399393 1323007881 /nfs/dbraw/zinc/00/78/81/1323007881.db2.gz NLRDNSJGGOWEPM-UHFFFAOYSA-N 0 0 331.307 3.095 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000924942434 1323222447 /nfs/dbraw/zinc/22/24/47/1323222447.db2.gz ILVWBVAJYDOKFL-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810346 1329082729 /nfs/dbraw/zinc/08/27/29/1329082729.db2.gz MDCZVWRDPDNAED-RYUDHWBXSA-N 0 0 344.367 3.208 10 5 EGBERN COC[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000931296815 1329088017 /nfs/dbraw/zinc/08/80/17/1329088017.db2.gz AAFZXXJGGUHTJD-JTQLQIEISA-N 0 0 329.784 3.288 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC[C@H]1O ZINC000859865010 1329100365 /nfs/dbraw/zinc/10/03/65/1329100365.db2.gz KBNQTGDBQWCUOJ-IEBWSBKVSA-N 0 0 342.395 3.419 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000859999725 1329125204 /nfs/dbraw/zinc/12/52/04/1329125204.db2.gz GOWKGABDRPBHFY-BXKDBHETSA-N 0 0 347.596 3.038 10 5 EGBERN CC(=O)[C@@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000859999081 1329125552 /nfs/dbraw/zinc/12/55/52/1329125552.db2.gz IEQYPUWWVUMUCL-LBPRGKRZSA-N 0 0 344.161 3.128 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000931496670 1329131137 /nfs/dbraw/zinc/13/11/37/1329131137.db2.gz WYKXSHYHLMRSBE-HOCLYGCPSA-N 0 0 333.388 3.236 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccoc2)C1 ZINC000931494710 1329130539 /nfs/dbraw/zinc/13/05/39/1329130539.db2.gz OTJWQBCKDBFHIW-UHFFFAOYSA-N 0 0 329.356 3.457 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931608660 1329153166 /nfs/dbraw/zinc/15/31/66/1329153166.db2.gz WUDCACNDTPOENB-UHFFFAOYSA-N 0 0 344.346 3.329 10 5 EGBERN COc1cc(COC(=O)C23CC(C2)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000860269392 1329185317 /nfs/dbraw/zinc/18/53/17/1329185317.db2.gz ZRXZRZJCPZITDA-UHFFFAOYSA-N 0 0 343.282 3.048 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925500951 1325179846 /nfs/dbraw/zinc/17/98/46/1325179846.db2.gz AESQNFQXEJQPTM-LBPRGKRZSA-N 0 0 335.404 3.082 10 5 EGBERN C[C@@H](OC(=O)c1ccn(C2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000860397313 1329313170 /nfs/dbraw/zinc/31/31/70/1329313170.db2.gz ZZOIZNDYRSTSBI-GFCCVEGCSA-N 0 0 345.355 3.061 10 5 EGBERN CC[C@]1(C)COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860560345 1329330793 /nfs/dbraw/zinc/33/07/93/1329330793.db2.gz SRAMNXXBPREDRI-GOSISDBHSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860847584 1329362040 /nfs/dbraw/zinc/36/20/40/1329362040.db2.gz AYBLUBPKXDQKGB-RDTXWAMCSA-N 0 0 340.379 3.435 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCOCC2(CCC2)C1 ZINC000860810035 1329358388 /nfs/dbraw/zinc/35/83/88/1329358388.db2.gz SNGHRVKLHWDQFU-UHFFFAOYSA-N 0 0 340.379 3.391 10 5 EGBERN C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031248 1327825415 /nfs/dbraw/zinc/82/54/15/1327825415.db2.gz WVBPJNHJUVZVOA-INWMFGNUSA-N 0 0 346.456 3.291 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCS1 ZINC000927247391 1327930434 /nfs/dbraw/zinc/93/04/34/1327930434.db2.gz NPVXWRDRTQHAJW-OCCSQVGLSA-N 0 0 337.445 3.063 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000927254889 1327935554 /nfs/dbraw/zinc/93/55/54/1327935554.db2.gz ZOXPYVWTCNXBOI-VHSXEESVSA-N 0 0 325.390 3.009 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927288030 1327957352 /nfs/dbraw/zinc/95/73/52/1327957352.db2.gz NJBPWLHGSVZZTC-JTQLQIEISA-N 0 0 338.282 3.163 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000927400285 1328008002 /nfs/dbraw/zinc/00/80/02/1328008002.db2.gz PSJQHJKYADKBLS-VGPLMAKISA-N 0 0 336.413 3.007 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927405715 1328010711 /nfs/dbraw/zinc/01/07/11/1328010711.db2.gz GOZAKXPQHBDTBL-CJNGLKHVSA-N 0 0 330.384 3.110 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1nccc2c1CCCC2 ZINC000927609789 1328077880 /nfs/dbraw/zinc/07/78/80/1328077880.db2.gz FQCCNKMXNABHOK-UHFFFAOYSA-N 0 0 343.358 3.246 10 5 EGBERN Cc1ccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928142193 1328214773 /nfs/dbraw/zinc/21/47/73/1328214773.db2.gz QVYBEYSHPVFZFH-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN O=C(/C=C\[C@@H]1CCOC1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446480 1329418888 /nfs/dbraw/zinc/41/88/88/1329418888.db2.gz VEXAYDSLXDJYMN-DBNUPXPCSA-N 0 0 345.273 3.334 10 5 EGBERN Cc1csc(C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000929116425 1328508981 /nfs/dbraw/zinc/50/89/81/1328508981.db2.gz QLYDAILEMNZTBI-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Cc2nccs2)C1 ZINC000929119868 1328510273 /nfs/dbraw/zinc/51/02/73/1328510273.db2.gz TWLIVHJVQJEJKH-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@]2(CCOC2)C1 ZINC000861928450 1329451285 /nfs/dbraw/zinc/45/12/85/1329451285.db2.gz ZZSLHOFBPKJTTH-IBGZPJMESA-N 0 0 340.379 3.391 10 5 EGBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862128069 1329460759 /nfs/dbraw/zinc/46/07/59/1329460759.db2.gz YLUOVMORSCMGBB-WFASDCNBSA-N 0 0 328.368 3.388 10 5 EGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC000862146744 1329462051 /nfs/dbraw/zinc/46/20/51/1329462051.db2.gz ATLCLGIYQWYCIC-AAEUAGOBSA-N 0 0 326.780 3.326 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000862204097 1329465357 /nfs/dbraw/zinc/46/53/57/1329465357.db2.gz XKSMPFZLXFMADT-SWLSCSKDSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862221230 1329467017 /nfs/dbraw/zinc/46/70/17/1329467017.db2.gz RLCCMNNQQQFUKD-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862726875 1329505475 /nfs/dbraw/zinc/50/54/75/1329505475.db2.gz AHTHBYXSLOJQBR-GCENKBPGSA-N 0 0 332.425 3.495 10 5 EGBERN O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000862746003 1329505995 /nfs/dbraw/zinc/50/59/95/1329505995.db2.gz KNSRIDJYRQJJON-MRXNPFEDSA-N 0 0 329.331 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(=O)CC(C)(C)C2)cc1Cl ZINC000862771417 1329507840 /nfs/dbraw/zinc/50/78/40/1329507840.db2.gz XMUSLJCREJVKRF-UHFFFAOYSA-N 0 0 338.791 3.388 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H]2C[C@H]2C1 ZINC000863129626 1329530137 /nfs/dbraw/zinc/53/01/37/1329530137.db2.gz VXVVLJLUCPFLAE-BDQBCWGISA-N 0 0 343.427 3.361 10 5 EGBERN C/C=C(/C=C/C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC ZINC000863301669 1329544967 /nfs/dbraw/zinc/54/49/67/1329544967.db2.gz YEOYQNNMUPJZCP-VTFMUGPCSA-N 0 0 346.383 3.012 10 5 EGBERN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000863603988 1329566466 /nfs/dbraw/zinc/56/64/66/1329566466.db2.gz QHPKSANVGCOLBN-NSHDSACASA-N 0 0 334.401 3.121 10 5 EGBERN CCC(O)(CC)CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863621039 1329568571 /nfs/dbraw/zinc/56/85/71/1329568571.db2.gz VVFGRHGKWBMDCT-UHFFFAOYSA-N 0 0 330.384 3.371 10 5 EGBERN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000863642963 1329569852 /nfs/dbraw/zinc/56/98/52/1329569852.db2.gz MUDSZBWJCLUZQK-UHFFFAOYSA-N 0 0 332.385 3.006 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)OCC(F)(F)F ZINC000863844423 1329585017 /nfs/dbraw/zinc/58/50/17/1329585017.db2.gz DWGKIWIPSCIGFI-LLVKDONJSA-N 0 0 334.294 3.116 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2cccc(-n3nccn3)c2)c(Cl)c1 ZINC000864033498 1329594369 /nfs/dbraw/zinc/59/43/69/1329594369.db2.gz YKCKZZZDCSZVOA-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1ccc(N2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1[N+](=O)[O-] ZINC000864549510 1329625017 /nfs/dbraw/zinc/62/50/17/1329625017.db2.gz WAVWOTSTYUZXON-KRWDZBQOSA-N 0 0 331.372 3.298 10 5 EGBERN C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000864660700 1329635210 /nfs/dbraw/zinc/63/52/10/1329635210.db2.gz HLNAGGZUQCPTCD-NSHDSACASA-N 0 0 333.775 3.405 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000864676360 1329637586 /nfs/dbraw/zinc/63/75/86/1329637586.db2.gz AFTOBGHJHHAWQM-UHFFFAOYSA-N 0 0 339.189 3.053 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000865037035 1329663777 /nfs/dbraw/zinc/66/37/77/1329663777.db2.gz MDJIOCARAFREMP-DOOHLRMFSA-N 0 0 332.375 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC(OCCCO)CC1 ZINC000865607756 1329719498 /nfs/dbraw/zinc/71/94/98/1329719498.db2.gz MKRVWJKPOZCREW-UHFFFAOYSA-N 0 0 349.214 3.269 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@]1(CCO)CCOC1 ZINC000865614689 1329720224 /nfs/dbraw/zinc/72/02/24/1329720224.db2.gz OONZOMKWFMMMIN-ZDUSSCGKSA-N 0 0 335.187 3.103 10 5 EGBERN CC[C@H](C[C@H](C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000865872233 1329747711 /nfs/dbraw/zinc/74/77/11/1329747711.db2.gz JMBOXZOIBYNGDE-WCQYABFASA-N 0 0 335.429 3.357 10 5 EGBERN Cn1cc(CC2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000865957088 1329754547 /nfs/dbraw/zinc/75/45/47/1329754547.db2.gz YRYQNCYHLVDMFJ-UHFFFAOYSA-N 0 0 341.198 3.314 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000866158445 1330071830 /nfs/dbraw/zinc/07/18/30/1330071830.db2.gz UOPIVJSWUCBRAN-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000866159763 1330072186 /nfs/dbraw/zinc/07/21/86/1330072186.db2.gz NLDFYYSKGQRWAV-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3C[C@H]3C3CCOCC3)c2c1 ZINC000866182580 1330074516 /nfs/dbraw/zinc/07/45/16/1330074516.db2.gz VUFVLJWPCWBRTQ-JSGCOSHPSA-N 0 0 328.372 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(c3nc(C4CCC4)no3)CC2)n1 ZINC000866198843 1330077144 /nfs/dbraw/zinc/07/71/44/1330077144.db2.gz BDFLKJGCOZOGOC-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN Cc1cc(Cl)nc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868581677 1330296441 /nfs/dbraw/zinc/29/64/41/1330296441.db2.gz TUMOTAQDXZUSQN-UHFFFAOYSA-N 0 0 348.790 3.259 10 5 EGBERN O=C(C1CC2(CSC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000868711623 1330322062 /nfs/dbraw/zinc/32/20/62/1330322062.db2.gz TVAKPQVDSGCURO-CQSZACIVSA-N 0 0 346.452 3.444 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000869054164 1330403846 /nfs/dbraw/zinc/40/38/46/1330403846.db2.gz HZAARRGIKHRCHW-CMPLNLGQSA-N 0 0 345.321 3.386 10 5 EGBERN Cc1ccc(CNC(=O)NCC(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000869054742 1330404122 /nfs/dbraw/zinc/40/41/22/1330404122.db2.gz NWIKOBNUOATUCT-UHFFFAOYSA-N 0 0 329.347 3.384 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1coc(C2CC2)n1 ZINC000869339528 1330467706 /nfs/dbraw/zinc/46/77/06/1330467706.db2.gz AIJRQSZSEZDYDR-UHFFFAOYSA-N 0 0 334.353 3.296 10 5 EGBERN C[C@@H]1OCC[C@@H]1COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000869490680 1330510350 /nfs/dbraw/zinc/51/03/50/1330510350.db2.gz CRBAWSISOOXCSN-QWHCGFSZSA-N 0 0 337.375 3.263 10 5 EGBERN O=C(OCCC1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811976 1330569491 /nfs/dbraw/zinc/56/94/91/1330569491.db2.gz XFVLSZAMRILKCE-UHFFFAOYSA-N 0 0 333.384 3.376 10 5 EGBERN C[C@@H](OC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000869855144 1330576747 /nfs/dbraw/zinc/57/67/47/1330576747.db2.gz LWBSWTLHZASKTJ-NWDGAFQWSA-N 0 0 329.356 3.292 10 5 EGBERN C[C@H](OC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000869855460 1330577482 /nfs/dbraw/zinc/57/74/82/1330577482.db2.gz OFBAWKJZWBQZAS-RYUDHWBXSA-N 0 0 329.356 3.292 10 5 EGBERN COC[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001323331160 1387339740 /nfs/dbraw/zinc/33/97/40/1387339740.db2.gz OKZPJHBOPFOHQR-QGZVFWFLSA-N 0 0 341.367 3.008 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCCOCC(C)C)c([N+](=O)[O-])c1 ZINC001184658926 1387505696 /nfs/dbraw/zinc/50/56/96/1387505696.db2.gz SIABRMWDQWSQAK-SOFGYWHQSA-N 0 0 336.388 3.256 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC001184719850 1387519598 /nfs/dbraw/zinc/51/95/98/1387519598.db2.gz ILRYZZAUDWABCM-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1c2ccccc2C[C@@H]1O ZINC001185017695 1387590071 /nfs/dbraw/zinc/59/00/71/1387590071.db2.gz NUTIFHHSONCDKK-UONOGXRCSA-N 0 0 349.184 3.428 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001324328435 1387592573 /nfs/dbraw/zinc/59/25/73/1387592573.db2.gz VLCKZTSVHDEQID-UHFFFAOYSA-N 0 0 343.383 3.288 10 5 EGBERN NC(=O)C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001185603736 1387759329 /nfs/dbraw/zinc/75/93/29/1387759329.db2.gz YHLYBGCNJRVCQI-CYBMUJFWSA-N 0 0 337.738 3.416 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2Nc1cccc(-n2ccnn2)c1 ZINC001185765901 1387793093 /nfs/dbraw/zinc/79/30/93/1387793093.db2.gz DMZXPXCDAKTHKW-UHFFFAOYSA-N 0 0 332.323 3.467 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1CCC(O)CC1 ZINC001324884423 1387805422 /nfs/dbraw/zinc/80/54/22/1387805422.db2.gz NNQDTLDWIGEJMY-LKSINWNRSA-N 0 0 339.413 3.170 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCCOc1ncccc1F ZINC001185846975 1387814197 /nfs/dbraw/zinc/81/41/97/1387814197.db2.gz CLVJGJDPXKCJNI-UHFFFAOYSA-N 0 0 328.303 3.168 10 5 EGBERN CN(Cc1ncc(Cl)n1C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001185931340 1387829086 /nfs/dbraw/zinc/82/90/86/1387829086.db2.gz VHHAMCZGRVMJGJ-UHFFFAOYSA-N 0 0 331.763 3.166 10 5 EGBERN Cc1noc(CSc2ncc3c(n2)CC(C)(C)CC3=O)c1[N+](=O)[O-] ZINC001189702442 1367090700 /nfs/dbraw/zinc/09/07/00/1367090700.db2.gz OGPWQRZXHBRZIV-UHFFFAOYSA-N 0 0 348.384 3.129 10 5 EGBERN COC(=O)c1ccccc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190274899 1367215125 /nfs/dbraw/zinc/21/51/25/1367215125.db2.gz ZDJFWMLOZUTXCY-UHFFFAOYSA-N 0 0 337.335 3.293 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3ccc(F)c(OC)c3)c2c1 ZINC001186131984 1387875888 /nfs/dbraw/zinc/87/58/88/1387875888.db2.gz QROKEOIAZBOYSK-UHFFFAOYSA-N 0 0 343.314 3.465 10 5 EGBERN CCc1ccc(N(CC)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001191626353 1367547461 /nfs/dbraw/zinc/54/74/61/1367547461.db2.gz HQPXKXAZCKCPNT-KRWDZBQOSA-N 0 0 344.411 3.423 10 5 EGBERN CC(C)(CCC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)[N+](=O)[O-] ZINC001325528547 1387997973 /nfs/dbraw/zinc/99/79/73/1387997973.db2.gz BQKSROHLKCKTNK-JTQLQIEISA-N 0 0 347.198 3.379 10 5 EGBERN Cc1cc(N[C@H](C)c2nccc(N)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186853429 1388014570 /nfs/dbraw/zinc/01/45/70/1388014570.db2.gz CBARJBNJNLOLOG-MRVPVSSYSA-N 0 0 341.293 3.467 10 5 EGBERN Cc1cc(N[C@@H](C)COCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186930566 1388030888 /nfs/dbraw/zinc/03/08/88/1388030888.db2.gz LXINYCNWBIHKCR-ZDUSSCGKSA-N 0 0 342.399 3.009 10 5 EGBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001187282392 1388087083 /nfs/dbraw/zinc/08/70/83/1388087083.db2.gz VZNDPKMMIUXUCX-CDUCUWFYSA-N 0 0 332.200 3.337 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC001187351980 1388098534 /nfs/dbraw/zinc/09/85/34/1388098534.db2.gz KAFNOFXCMWRILN-UHFFFAOYSA-N 0 0 349.431 3.121 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C2CCOCC2)cc1C ZINC001187422176 1388105470 /nfs/dbraw/zinc/10/54/70/1388105470.db2.gz DMCVZRVGDONOGZ-LSDHHAIUSA-N 0 0 348.399 3.307 10 5 EGBERN O=[N+]([O-])c1ccccc1NCc1nnc(CCOc2ccccc2)o1 ZINC001117227063 1371024407 /nfs/dbraw/zinc/02/44/07/1371024407.db2.gz NDWUJTKMEOQQEF-UHFFFAOYSA-N 0 0 340.339 3.211 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@H](F)C1 ZINC001118157911 1371139808 /nfs/dbraw/zinc/13/98/08/1371139808.db2.gz BDWRUJJFAVYWSW-RYUDHWBXSA-N 0 0 349.318 3.216 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(-c3ccncc3)o2)ccc1OC(F)F ZINC001118411852 1371177123 /nfs/dbraw/zinc/17/71/23/1371177123.db2.gz BOOHRCYYVNCKMI-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001118883331 1371245398 /nfs/dbraw/zinc/24/53/98/1371245398.db2.gz SYBRSPOREKWNOM-UHFFFAOYSA-N 0 0 342.389 3.006 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001118928071 1371251574 /nfs/dbraw/zinc/25/15/74/1371251574.db2.gz IVFDIIZOVYWLJB-MWLCHTKSSA-N 0 0 336.779 3.195 10 5 EGBERN Cc1csc(CCCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001119034984 1371266702 /nfs/dbraw/zinc/26/67/02/1371266702.db2.gz CGSGQWFQZOBXHB-UHFFFAOYSA-N 0 0 348.428 3.100 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001187654865 1388137862 /nfs/dbraw/zinc/13/78/62/1388137862.db2.gz STMUYFUCMQKZRH-NSHDSACASA-N 0 0 348.384 3.419 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(C)cc(C)c2C1 ZINC001121316467 1371934974 /nfs/dbraw/zinc/93/49/74/1371934974.db2.gz WWIHAUXIAHTDFP-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@@](C)(C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001123359210 1372441523 /nfs/dbraw/zinc/44/15/23/1372441523.db2.gz GLZQXGWZNCKLBW-CYBMUJFWSA-N 0 0 347.293 3.088 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001123409158 1372458342 /nfs/dbraw/zinc/45/83/42/1372458342.db2.gz SOMNTRQUPQVWSV-AWEZNQCLSA-N 0 0 333.388 3.435 10 5 EGBERN O=[N+]([O-])Cc1nnc(N2CCCC[C@H]2CC2CCC2)n1CC1CC1 ZINC001123507479 1372492046 /nfs/dbraw/zinc/49/20/46/1372492046.db2.gz JQONXYKLFWUOLW-HNNXBMFYSA-N 0 0 333.436 3.014 10 5 EGBERN Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC001124242043 1372686366 /nfs/dbraw/zinc/68/63/66/1372686366.db2.gz UXSIBPCWOLUSAT-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN COc1ccc2onc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)c2c1 ZINC001124333031 1372692733 /nfs/dbraw/zinc/69/27/33/1372692733.db2.gz WBTQSPWALUUKMC-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001124333664 1372692911 /nfs/dbraw/zinc/69/29/11/1372692911.db2.gz JBPFXKOXKFHISB-INIZCTEOSA-N 0 0 325.324 3.035 10 5 EGBERN COc1cccc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001124343892 1372694095 /nfs/dbraw/zinc/69/40/95/1372694095.db2.gz DWLLCINXGGIANA-UHFFFAOYSA-N 0 0 333.315 3.419 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ncccc1-c1ccccn1 ZINC001124413101 1372699886 /nfs/dbraw/zinc/69/98/86/1372699886.db2.gz BNJKYFQIVAZSBI-UHFFFAOYSA-N 0 0 335.319 3.409 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@H]1C[C@@H]1F ZINC001124561262 1372712231 /nfs/dbraw/zinc/71/22/31/1372712231.db2.gz TTYJWWIQNQJDDV-JSGCOSHPSA-N 0 0 328.299 3.122 10 5 EGBERN Cc1ccc(C)c(C2=NO[C@H](C(=O)Oc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001124598101 1372715282 /nfs/dbraw/zinc/71/52/82/1372715282.db2.gz TWHSRYGAMBBMQX-KRWDZBQOSA-N 0 0 340.335 3.310 10 5 EGBERN O=C(Cc1ccc2cnccc2c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124619163 1372717122 /nfs/dbraw/zinc/71/71/22/1372717122.db2.gz JEEUQDMICPAZCS-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC001124810398 1372732701 /nfs/dbraw/zinc/73/27/01/1372732701.db2.gz YRDILJNRVOBJSJ-RMKNXTFCSA-N 0 0 344.323 3.243 10 5 EGBERN COC(=O)Nc1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001125187837 1372759608 /nfs/dbraw/zinc/75/96/08/1372759608.db2.gz WITXJFUDDUXARV-UHFFFAOYSA-N 0 0 347.302 3.473 10 5 EGBERN CO[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001125796331 1372859015 /nfs/dbraw/zinc/85/90/15/1372859015.db2.gz PGNXNSFIDUAZEZ-HNNXBMFYSA-N 0 0 334.759 3.444 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001125863681 1372876566 /nfs/dbraw/zinc/87/65/66/1372876566.db2.gz DPMSQGYCQCJVGZ-VHSXEESVSA-N 0 0 340.763 3.166 10 5 EGBERN CCn1cc(Cl)c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC001125914685 1372889505 /nfs/dbraw/zinc/88/95/05/1372889505.db2.gz VJYCGYKMDZQNAN-UHFFFAOYSA-N 0 0 334.763 3.058 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ncc(Cl)cn1 ZINC001126196330 1372948067 /nfs/dbraw/zinc/94/80/67/1372948067.db2.gz SJFMHYYBCNIXCD-UHFFFAOYSA-N 0 0 328.111 3.219 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccc(F)cc1F ZINC001126259002 1372953288 /nfs/dbraw/zinc/95/32/88/1372953288.db2.gz WEWUAXYIVZKUAZ-CQSZACIVSA-N 0 0 335.310 3.458 10 5 EGBERN O=C(c1cccc2scnc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126356366 1372960066 /nfs/dbraw/zinc/96/00/66/1372960066.db2.gz FZFAYEJIFWBHHE-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc3c(c2)OCO3)c1C ZINC001127185684 1373101423 /nfs/dbraw/zinc/10/14/23/1373101423.db2.gz AHGCAJWJZGORSQ-UHFFFAOYSA-N 0 0 328.324 3.217 10 5 EGBERN COc1ccc(F)cc1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001127262308 1373109861 /nfs/dbraw/zinc/10/98/61/1373109861.db2.gz JQBUTHPJUUZBAE-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN CCn1cc(Cl)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC001127399733 1373123223 /nfs/dbraw/zinc/12/32/23/1373123223.db2.gz PBJAIAVKBHGUAT-UHFFFAOYSA-N 0 0 348.790 3.269 10 5 EGBERN CC1(C)CC[C@@H](CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)OC1 ZINC001127748517 1373172954 /nfs/dbraw/zinc/17/29/54/1373172954.db2.gz PZHADFOVYYUVJW-ZDUSSCGKSA-N 0 0 332.400 3.469 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@H]1C ZINC001127765752 1373176832 /nfs/dbraw/zinc/17/68/32/1373176832.db2.gz HTEGSPFXBNKAPZ-DYEKYZERSA-N 0 0 344.371 3.157 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001127786701 1373180110 /nfs/dbraw/zinc/18/01/10/1373180110.db2.gz MDPCITFBQRSAFM-HUUCEWRRSA-N 0 0 338.379 3.364 10 5 EGBERN O=C(Nc1cccc(F)n1)c1c(Br)cccc1[N+](=O)[O-] ZINC001127826335 1373187338 /nfs/dbraw/zinc/18/73/38/1373187338.db2.gz QVWWWYKLDFJSJB-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN Cc1cnc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864595 1373191802 /nfs/dbraw/zinc/19/18/02/1373191802.db2.gz RTYFCDXEXLUIEV-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC001128409311 1373263559 /nfs/dbraw/zinc/26/35/59/1373263559.db2.gz CAKSEZHVGDQCNQ-INIZCTEOSA-N 0 0 348.330 3.377 10 5 EGBERN CC(C)[C@@H]1C[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001128954372 1373328142 /nfs/dbraw/zinc/32/81/42/1373328142.db2.gz JHFKJFMXKCELSF-AAEUAGOBSA-N 0 0 340.807 3.425 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001216792683 1373343763 /nfs/dbraw/zinc/34/37/63/1373343763.db2.gz FGBQRBDGXCMJFL-UHFFFAOYSA-N 0 0 327.340 3.162 10 5 EGBERN Cc1ccc(COC(=O)c2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001129136699 1373351158 /nfs/dbraw/zinc/35/11/58/1373351158.db2.gz ZVLGXWKZGIHKOD-UHFFFAOYSA-N 0 0 333.271 3.128 10 5 EGBERN CC1(C)CCC[C@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001129633918 1373405063 /nfs/dbraw/zinc/40/50/63/1373405063.db2.gz OHOZMALPUSTDQG-ZDUSSCGKSA-N 0 0 344.371 3.301 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001130064382 1373452123 /nfs/dbraw/zinc/45/21/23/1373452123.db2.gz UZZTWPOYNRENFQ-YIZWMMSDSA-N 0 0 347.371 3.368 10 5 EGBERN CCc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2s1 ZINC001130141179 1373460268 /nfs/dbraw/zinc/46/02/68/1373460268.db2.gz PVJLANCNCRGMIW-UHFFFAOYSA-N 0 0 330.369 3.358 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC001130212326 1373474564 /nfs/dbraw/zinc/47/45/64/1373474564.db2.gz HIAPXNSCEDRRBA-UHFFFAOYSA-N 0 0 340.232 3.307 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccsc1 ZINC001130445054 1373543718 /nfs/dbraw/zinc/54/37/18/1373543718.db2.gz YERZTRXQTXEVRV-UHFFFAOYSA-N 0 0 328.353 3.119 10 5 EGBERN COc1cccc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)sc21 ZINC001130453297 1373545928 /nfs/dbraw/zinc/54/59/28/1373545928.db2.gz JBCXHSNHCWBETB-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Oc2cccc(OC3CC3)c2)c1 ZINC001130638647 1373573929 /nfs/dbraw/zinc/57/39/29/1373573929.db2.gz JCXBWVBOGFNWTA-UHFFFAOYSA-N 0 0 329.308 3.364 10 5 EGBERN Cc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)CCC2)cc1 ZINC001130738680 1373586652 /nfs/dbraw/zinc/58/66/52/1373586652.db2.gz LCFGVUMHMVMRCH-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccnc2ccccc12 ZINC001130747476 1373587516 /nfs/dbraw/zinc/58/75/16/1373587516.db2.gz PUPPCTFEJXRFHJ-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cn1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c(C(F)F)n1 ZINC001130758841 1373588532 /nfs/dbraw/zinc/58/85/32/1373588532.db2.gz PTKUYJJNVLRDRE-UHFFFAOYSA-N 0 0 347.281 3.066 10 5 EGBERN CC(=O)[C@@H]1C[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC001130954600 1373614502 /nfs/dbraw/zinc/61/45/02/1373614502.db2.gz DRDKDPIANGEXHE-LSDHHAIUSA-N 0 0 341.367 3.333 10 5 EGBERN O=C(CN1CCc2ccccc21)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959670 1373616362 /nfs/dbraw/zinc/61/63/62/1373616362.db2.gz JOBRFAZOPGTUTC-UHFFFAOYSA-N 0 0 348.362 3.144 10 5 EGBERN O=C(NCCc1ccoc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001131049912 1373633475 /nfs/dbraw/zinc/63/34/75/1373633475.db2.gz JBGAKSWSDTYMGR-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN CCOc1cncc(COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001131227917 1373665811 /nfs/dbraw/zinc/66/58/11/1373665811.db2.gz AOFXLSADJKEYNS-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c(C)s1 ZINC001131462180 1373702997 /nfs/dbraw/zinc/70/29/97/1373702997.db2.gz CFBBZFWVISJCNS-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN O=C(Oc1cc(F)cc(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001131727611 1373775761 /nfs/dbraw/zinc/77/57/61/1373775761.db2.gz SVYSAVPFKRMFIM-UHFFFAOYSA-N 0 0 339.662 3.335 10 5 EGBERN O=C([O-])[C@@H](CCF)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001326717563 1388288603 /nfs/dbraw/zinc/28/86/03/1388288603.db2.gz SEQIZRXEQYXSAM-GFCCVEGCSA-N 0 0 338.360 3.226 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCCCCCC1 ZINC001224862320 1375081033 /nfs/dbraw/zinc/08/10/33/1375081033.db2.gz CKIWZUSTRIXDFX-UHFFFAOYSA-N 0 0 335.404 3.469 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001225483882 1375115714 /nfs/dbraw/zinc/11/57/14/1375115714.db2.gz KNWYOJUZEZYJFC-NVXWUHKLSA-N 0 0 331.416 3.263 10 5 EGBERN Cc1cc(OCC(=O)NCc2ccc(C(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC001132340857 1375320838 /nfs/dbraw/zinc/32/08/38/1375320838.db2.gz AXTHRBNBTGIJQH-UHFFFAOYSA-N 0 0 346.383 3.489 10 5 EGBERN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1 ZINC001132484329 1375419032 /nfs/dbraw/zinc/41/90/32/1375419032.db2.gz FVNFKOGRRCMOBT-UHFFFAOYSA-N 0 0 328.202 3.185 10 5 EGBERN C[C@]12CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001227568179 1375445157 /nfs/dbraw/zinc/44/51/57/1375445157.db2.gz NYAUKKKMKFFJQY-CYJAXWMASA-N 0 0 343.427 3.215 10 5 EGBERN C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001132559805 1375467727 /nfs/dbraw/zinc/46/77/27/1375467727.db2.gz DXRPZVDVHRMMCU-NFAWXSAZSA-N 0 0 342.317 3.208 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001132586078 1375477368 /nfs/dbraw/zinc/47/73/68/1375477368.db2.gz KGIYUGVWJGHWRW-BETUJISGSA-N 0 0 348.399 3.062 10 5 EGBERN COCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC001132616914 1375486770 /nfs/dbraw/zinc/48/67/70/1375486770.db2.gz CLRXNVQIQYABNZ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1nn(CCC(=O)Nc2noc(C(C)(C)C)c2C)c(C)c1[N+](=O)[O-] ZINC001132675401 1375508928 /nfs/dbraw/zinc/50/89/28/1375508928.db2.gz PIKXFEUJNCEXTR-UHFFFAOYSA-N 0 0 349.391 3.031 10 5 EGBERN Cn1cc(Cl)c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001132832653 1375589370 /nfs/dbraw/zinc/58/93/70/1375589370.db2.gz ZKRPEZAHNSBKRH-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1C(C)(F)F ZINC001132836800 1375591442 /nfs/dbraw/zinc/59/14/42/1375591442.db2.gz ZAGDLTCVUOHNTA-UHFFFAOYSA-N 0 0 327.262 3.436 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1C ZINC001133259943 1375875511 /nfs/dbraw/zinc/87/55/11/1375875511.db2.gz MDXLBOXUKVVGIV-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001133420917 1375997378 /nfs/dbraw/zinc/99/73/78/1375997378.db2.gz UWUPFFUPBVKHLV-LLVKDONJSA-N 0 0 329.312 3.302 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)ccc1[N+](=O)[O-] ZINC001133476380 1376030715 /nfs/dbraw/zinc/03/07/15/1376030715.db2.gz WKMLQAZGXXAVRF-CZUORRHYSA-N 0 0 330.315 3.105 10 5 EGBERN O=C(NCCC1CC=CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001133583294 1376104810 /nfs/dbraw/zinc/10/48/10/1376104810.db2.gz FMIJBLRYJNWYAO-UHFFFAOYSA-N 0 0 339.189 3.443 10 5 EGBERN COc1c(C(=O)NCc2cscc2Cl)cccc1[N+](=O)[O-] ZINC001133603013 1376114874 /nfs/dbraw/zinc/11/48/74/1376114874.db2.gz MTPDBTOFOJOUMZ-UHFFFAOYSA-N 0 0 326.761 3.248 10 5 EGBERN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133654417 1376140692 /nfs/dbraw/zinc/14/06/92/1376140692.db2.gz IRUJZVWTODLJBT-KBVBDRTLSA-N 0 0 341.323 3.394 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001133706336 1376166977 /nfs/dbraw/zinc/16/69/77/1376166977.db2.gz KDNPRGPOEBCANN-JTQLQIEISA-N 0 0 345.311 3.003 10 5 EGBERN CC(=O)c1cc(F)ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001133750262 1376189777 /nfs/dbraw/zinc/18/97/77/1376189777.db2.gz FASZBVARDXBZER-UHFFFAOYSA-N 0 0 342.286 3.065 10 5 EGBERN CCNc1ccc(C(=O)N=[S@@](C)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC001133783644 1376206027 /nfs/dbraw/zinc/20/60/27/1376206027.db2.gz KCSWVAREKFETEP-QFIPXVFZSA-N 0 0 327.406 3.063 10 5 EGBERN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cscn1 ZINC001189005236 1388435279 /nfs/dbraw/zinc/43/52/79/1388435279.db2.gz QQZBZUVYLLHILZ-UHFFFAOYSA-N 0 0 332.259 3.332 10 5 EGBERN COc1cc(C(=O)NCc2c(F)cc(C)cc2F)ccc1[N+](=O)[O-] ZINC001134052346 1376332436 /nfs/dbraw/zinc/33/24/36/1376332436.db2.gz ARIRVSVJWRVIFN-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN NC(=O)c1cc(NC(=O)CCCC2CCCCC2)ccc1[N+](=O)[O-] ZINC001134358364 1376493143 /nfs/dbraw/zinc/49/31/43/1376493143.db2.gz WSWNHMHELHPYRF-UHFFFAOYSA-N 0 0 333.388 3.383 10 5 EGBERN C[C@]12CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001134536572 1376581751 /nfs/dbraw/zinc/58/17/51/1376581751.db2.gz JLVCMNPGRSRPQA-KSBHJAGGSA-N 0 0 332.375 3.171 10 5 EGBERN COc1ccc(CSc2nc3c(nccc3C)[nH]2)cc1[N+](=O)[O-] ZINC001189224667 1388487513 /nfs/dbraw/zinc/48/75/13/1388487513.db2.gz BRUXYXCHFCTXOE-UHFFFAOYSA-N 0 0 330.369 3.475 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccccc2C1 ZINC001136241071 1377367877 /nfs/dbraw/zinc/36/78/77/1377367877.db2.gz CQQILEXBWQFWJZ-LBPRGKRZSA-N 0 0 344.392 3.050 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001136308516 1377375618 /nfs/dbraw/zinc/37/56/18/1377375618.db2.gz KTVCMFHBSMVQHM-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1OC ZINC001136433785 1377392647 /nfs/dbraw/zinc/39/26/47/1377392647.db2.gz ZQFDKSSUZNMOAP-UHFFFAOYSA-N 0 0 332.331 3.338 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCNc1ccccn1 ZINC001136646759 1377412519 /nfs/dbraw/zinc/41/25/19/1377412519.db2.gz NVFQDVGNKOZBSN-UHFFFAOYSA-N 0 0 346.362 3.059 10 5 EGBERN Cc1nc2cc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC001137392669 1377537909 /nfs/dbraw/zinc/53/79/09/1377537909.db2.gz FOFBLAXMWKQNGG-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001137569248 1377566983 /nfs/dbraw/zinc/56/69/83/1377566983.db2.gz UTWCNFGFBVBUQG-UHFFFAOYSA-N 0 0 345.693 3.052 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(c2ccccn2)CC1 ZINC001137807728 1377619689 /nfs/dbraw/zinc/61/96/89/1377619689.db2.gz KPZBTXRQYOUTDV-UHFFFAOYSA-N 0 0 345.786 3.034 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cnccc1C ZINC001137810606 1377619928 /nfs/dbraw/zinc/61/99/28/1377619928.db2.gz RTWCDRKONKDBID-LBPRGKRZSA-N 0 0 329.356 3.188 10 5 EGBERN CSc1ccc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001137869793 1377634448 /nfs/dbraw/zinc/63/44/48/1377634448.db2.gz FAXKYZGDUMGCEJ-CYBMUJFWSA-N 0 0 342.376 3.374 10 5 EGBERN Nc1c(F)cccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137957155 1377653614 /nfs/dbraw/zinc/65/36/14/1377653614.db2.gz PEVZSRMMFYZGEI-UHFFFAOYSA-N 0 0 329.331 3.121 10 5 EGBERN CN(Cc1ccsc1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141417487 1378321856 /nfs/dbraw/zinc/32/18/56/1378321856.db2.gz ZJMLNIZQGJENQJ-UHFFFAOYSA-N 0 0 343.767 3.303 10 5 EGBERN CN(Cc1cccs1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141419291 1378323127 /nfs/dbraw/zinc/32/31/27/1378323127.db2.gz RNGAFDFWKQJFAD-UHFFFAOYSA-N 0 0 343.767 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)n1 ZINC001280183588 1378334807 /nfs/dbraw/zinc/33/48/07/1378334807.db2.gz ZBPQBZAQSGLLHX-NUEKZKHPSA-N 0 0 343.770 3.020 10 5 EGBERN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001141597126 1378348708 /nfs/dbraw/zinc/34/87/08/1378348708.db2.gz KACDPAWBDJYLBL-AWEZNQCLSA-N 0 0 331.397 3.388 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccncc2)C1 ZINC001141673890 1378361194 /nfs/dbraw/zinc/36/11/94/1378361194.db2.gz BMFMKVWOWNXYED-ZDUSSCGKSA-N 0 0 329.331 3.067 10 5 EGBERN CCOc1cccc(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001141767446 1378372799 /nfs/dbraw/zinc/37/27/99/1378372799.db2.gz KLXBYSKZZOIZGH-UHFFFAOYSA-N 0 0 329.356 3.147 10 5 EGBERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141910071 1378392813 /nfs/dbraw/zinc/39/28/13/1378392813.db2.gz PFZZYBPYXDYHGG-DOTOQJQBSA-N 0 0 328.372 3.149 10 5 EGBERN Cc1cc(=O)[nH]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC001142812475 1378490799 /nfs/dbraw/zinc/49/07/99/1378490799.db2.gz ROTXMJBTXJMGJV-SNVBAGLBSA-N 0 0 333.369 3.123 10 5 EGBERN CC[C@@H]1COC(C)(C)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001145093574 1378792187 /nfs/dbraw/zinc/79/21/87/1378792187.db2.gz CPPLWMTTXWGNQT-GFCCVEGCSA-N 0 0 340.807 3.207 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC001146530802 1378861374 /nfs/dbraw/zinc/86/13/74/1378861374.db2.gz VIDCAEMPNFATOP-OAHLLOKOSA-N 0 0 332.306 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327745012 1388592688 /nfs/dbraw/zinc/59/26/88/1388592688.db2.gz BONZFHLGJLXAPX-ADEWGFFLSA-N 0 0 325.315 3.459 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cnccc1C(F)(F)F ZINC001148368368 1379157781 /nfs/dbraw/zinc/15/77/81/1379157781.db2.gz OVMNJFGUVYZSTF-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001148486048 1379185281 /nfs/dbraw/zinc/18/52/81/1379185281.db2.gz PAQRPDMMXDIJHJ-ROUUACIJSA-N 0 0 339.395 3.315 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001149224669 1379351599 /nfs/dbraw/zinc/35/15/99/1379351599.db2.gz VBAIYWRJSGJZOI-UHFFFAOYSA-N 0 0 338.323 3.448 10 5 EGBERN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001149689981 1379429070 /nfs/dbraw/zinc/42/90/70/1379429070.db2.gz OPQDRNMGNIQGLL-LLVKDONJSA-N 0 0 330.315 3.125 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(O)cc1 ZINC001150487979 1379557532 /nfs/dbraw/zinc/55/75/32/1379557532.db2.gz MSYDFZRWEQLEAU-UHFFFAOYSA-N 0 0 334.759 3.203 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001151125028 1379663809 /nfs/dbraw/zinc/66/38/09/1379663809.db2.gz LOBPONOHZFVVDM-RGYTYGDFSA-N 0 0 342.399 3.251 10 5 EGBERN O=C(Nc1cccc(F)c1O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001151779671 1379778618 /nfs/dbraw/zinc/77/86/18/1379778618.db2.gz JSVXBWGUVRWQGY-UHFFFAOYSA-N 0 0 342.286 3.082 10 5 EGBERN Cc1cc(C(=O)NCc2ccc(C(C)(C)C)o2)c(N)c([N+](=O)[O-])c1 ZINC001151859815 1379802967 /nfs/dbraw/zinc/80/29/67/1379802967.db2.gz OXTYXTHLNDXCNJ-UHFFFAOYSA-N 0 0 331.372 3.306 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc2cnccc2o1 ZINC001152678303 1379969153 /nfs/dbraw/zinc/96/91/53/1379969153.db2.gz PCKFSPNSUPZWFR-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN O=C(N[C@H]1CC(=O)c2ccccc21)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001152688320 1379970912 /nfs/dbraw/zinc/97/09/12/1379970912.db2.gz DVLGNJDVNVWOIU-LBPRGKRZSA-N 0 0 348.717 3.445 10 5 EGBERN Cc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cnc1C ZINC001153428029 1380075215 /nfs/dbraw/zinc/07/52/15/1380075215.db2.gz MOSRTENTDQHUJI-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC2(CCCC2)C1 ZINC001153496082 1380085467 /nfs/dbraw/zinc/08/54/67/1380085467.db2.gz ZOHZMTIYRPRCQX-NSHDSACASA-N 0 0 344.371 3.149 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1-c1cccnc1 ZINC001154566279 1380306429 /nfs/dbraw/zinc/30/64/29/1380306429.db2.gz LOAFFZCKKOCRFG-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN O=C(CCCC1CC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845873 1380364056 /nfs/dbraw/zinc/36/40/56/1380364056.db2.gz YOULRRKDNMONFR-UHFFFAOYSA-N 0 0 330.388 3.100 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001155375730 1380443368 /nfs/dbraw/zinc/44/33/68/1380443368.db2.gz QEJOKBQWXRRQDK-LLHIFLOGSA-N 0 0 340.326 3.218 10 5 EGBERN COc1ccccc1CONC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001156009462 1380513186 /nfs/dbraw/zinc/51/31/86/1380513186.db2.gz PQUCUYSVBAFBHL-UHFFFAOYSA-N 0 0 336.731 3.118 10 5 EGBERN O=C(N[C@@H](c1ccccn1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001156354158 1380563135 /nfs/dbraw/zinc/56/31/35/1380563135.db2.gz VFKMGRJDQSDCJN-QGZVFWFLSA-N 0 0 336.351 3.352 10 5 EGBERN O=C(N[C@H]1CCCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC001157946992 1381078517 /nfs/dbraw/zinc/07/85/17/1381078517.db2.gz LUSUPWYFGYJHOI-AWEZNQCLSA-N 0 0 328.343 3.411 10 5 EGBERN Cc1ccc(NC(=O)COc2cccc(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001158225019 1381165239 /nfs/dbraw/zinc/16/52/39/1381165239.db2.gz TUCXYUZHOSAVSW-UHFFFAOYSA-N 0 0 335.747 3.156 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001287964719 1381452293 /nfs/dbraw/zinc/45/22/93/1381452293.db2.gz LEDLQIQDCYOZFM-MAUKXSAKSA-N 0 0 328.343 3.404 10 5 EGBERN Nc1c(C(=O)NCCC2CCC(F)(F)CC2)cc(F)cc1[N+](=O)[O-] ZINC001158969320 1381491279 /nfs/dbraw/zinc/49/12/79/1381491279.db2.gz HIWPBOKWJHYVER-UHFFFAOYSA-N 0 0 345.321 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C ZINC001158973985 1381493463 /nfs/dbraw/zinc/49/34/63/1381493463.db2.gz RMKSNIPCXIJVBO-RHSMWYFYSA-N 0 0 336.432 3.231 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccc(OCC(C)C)c1 ZINC001288212802 1381728525 /nfs/dbraw/zinc/72/85/25/1381728525.db2.gz OFTMENBGKSLXDW-UHFFFAOYSA-N 0 0 345.355 3.286 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288749057 1381924237 /nfs/dbraw/zinc/92/42/37/1381924237.db2.gz RHHOGKJVZUQKKR-NEPJUHHUSA-N 0 0 332.331 3.379 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCO[C@@H](C)c2ccccc2)n1 ZINC001290326782 1382081822 /nfs/dbraw/zinc/08/18/22/1382081822.db2.gz CYCXRPPGIFZYTB-AWEZNQCLSA-N 0 0 343.383 3.196 10 5 EGBERN Cc1ccc(NC(=O)c2cnc(C3CCCC3)nc2N)cc1[N+](=O)[O-] ZINC001290429826 1382090994 /nfs/dbraw/zinc/09/09/94/1382090994.db2.gz HWRPQRWEELSWOT-UHFFFAOYSA-N 0 0 341.371 3.185 10 5 EGBERN COc1cc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1C ZINC001292064435 1382167487 /nfs/dbraw/zinc/16/74/87/1382167487.db2.gz LWHJEHHNSSVOHY-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN Nc1ccc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cc1[N+](=O)[O-] ZINC001160702757 1382174495 /nfs/dbraw/zinc/17/44/95/1382174495.db2.gz MOJWGCWUXPQUKD-AWEZNQCLSA-N 0 0 349.293 3.216 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1F ZINC001293681981 1382335152 /nfs/dbraw/zinc/33/51/52/1382335152.db2.gz GJWOUGALJQLPRA-OAHLLOKOSA-N 0 0 335.310 3.336 10 5 EGBERN CC(C)(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001295175620 1382562532 /nfs/dbraw/zinc/56/25/32/1382562532.db2.gz SUOUELVPEISFJF-UHFFFAOYSA-N 0 0 328.800 3.308 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccccc1-c1cn[nH]c1 ZINC001295476072 1382651927 /nfs/dbraw/zinc/65/19/27/1382651927.db2.gz MACVBORPTVMDQO-UHFFFAOYSA-N 0 0 340.314 3.305 10 5 EGBERN CCOC(=O)c1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001162200270 1382655688 /nfs/dbraw/zinc/65/56/88/1382655688.db2.gz HWNFPYQTRUKMPI-JTQLQIEISA-N 0 0 330.344 3.043 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOc1ccccc1C ZINC001162226120 1382661251 /nfs/dbraw/zinc/66/12/51/1382661251.db2.gz JEQZMXWBSDAVPE-UHFFFAOYSA-N 0 0 344.367 3.489 10 5 EGBERN Cc1c(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cccc1N(C)C ZINC001295634861 1382752308 /nfs/dbraw/zinc/75/23/08/1382752308.db2.gz TZUHFRQTMHVUQC-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN COC(=O)c1ccc(OCCNc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC001162476525 1382768778 /nfs/dbraw/zinc/76/87/78/1382768778.db2.gz RWVRRWDIIPTVSX-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN CCC[C@@H](CCO)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001162631608 1382816226 /nfs/dbraw/zinc/81/62/26/1382816226.db2.gz MJAZHITVMHHEPD-NSHDSACASA-N 0 0 337.807 3.429 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](OC)C1(C)C ZINC001162686104 1382833410 /nfs/dbraw/zinc/83/34/10/1382833410.db2.gz NFLLXGXBZXSUTK-NEPJUHHUSA-N 0 0 342.779 3.260 10 5 EGBERN CN(CCOCC1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001162731439 1382849882 /nfs/dbraw/zinc/84/98/82/1382849882.db2.gz CJLFOVINHXSDPU-UHFFFAOYSA-N 0 0 329.194 3.220 10 5 EGBERN Nc1ncc(C(=O)Nc2ncc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC001296262139 1382941867 /nfs/dbraw/zinc/94/18/67/1382941867.db2.gz KGMDSFHHAWMXLT-UHFFFAOYSA-N 0 0 347.400 3.329 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCO[C@H]1CCCCO1 ZINC001163210839 1382994082 /nfs/dbraw/zinc/99/40/82/1382994082.db2.gz YDGBKIAMAQJIAN-INIZCTEOSA-N 0 0 349.362 3.049 10 5 EGBERN COC(=O)c1ccnc(Oc2cccc(C=O)c2Cl)c1[N+](=O)[O-] ZINC001163412359 1383045794 /nfs/dbraw/zinc/04/57/94/1383045794.db2.gz KUSHFBSYZBGJFQ-UHFFFAOYSA-N 0 0 336.687 3.035 10 5 EGBERN C[C@@H](CSc1ccccc1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001163676079 1383103669 /nfs/dbraw/zinc/10/36/69/1383103669.db2.gz PSPMLSFGKPEJFL-LBPRGKRZSA-N 0 0 345.424 3.311 10 5 EGBERN Nc1nc(NC[C@@]2(Cc3ccccc3)C=CCCC2)ncc1[N+](=O)[O-] ZINC001163901415 1383134399 /nfs/dbraw/zinc/13/43/99/1383134399.db2.gz MJXBQZRNWXAPBM-SFHVURJKSA-N 0 0 339.399 3.348 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCc1ccnc(-c2ccccn2)n1 ZINC001164008232 1383145910 /nfs/dbraw/zinc/14/59/10/1383145910.db2.gz LYJNUVFSSWBIES-UHFFFAOYSA-N 0 0 325.303 3.198 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc2cc[nH]c2cn1 ZINC001164018331 1383147315 /nfs/dbraw/zinc/14/73/15/1383147315.db2.gz CVWPNODVLMMXMJ-UHFFFAOYSA-N 0 0 339.355 3.302 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001164119692 1383158092 /nfs/dbraw/zinc/15/80/92/1383158092.db2.gz FIAATOSEGPSFPQ-BEFAXECRSA-N 0 0 338.363 3.159 10 5 EGBERN Cc1ccc(NCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC001164200699 1383165442 /nfs/dbraw/zinc/16/54/42/1383165442.db2.gz FSIQQCASGUMLFI-UHFFFAOYSA-N 0 0 341.293 3.236 10 5 EGBERN COc1cc(N2CC[C@@H](c3cnccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001164211453 1383166385 /nfs/dbraw/zinc/16/63/85/1383166385.db2.gz DAHVRJDRENJOMO-SNVBAGLBSA-N 0 0 334.763 3.041 10 5 EGBERN CC1(C)C(C)(C)C1(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001164295120 1383175379 /nfs/dbraw/zinc/17/53/79/1383175379.db2.gz UEPYFZKTYHPMKM-UHFFFAOYSA-N 0 0 332.447 3.296 10 5 EGBERN Cc1cc2cc(CNC(=O)Cc3cccc(F)c3[N+](=O)[O-])ccc2[nH]1 ZINC001297527683 1383177600 /nfs/dbraw/zinc/17/76/00/1383177600.db2.gz UACLAFVKOKBXST-UHFFFAOYSA-N 0 0 341.342 3.383 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1Oc1cnc3ccccc3n1)OCCO2 ZINC001164357436 1383180650 /nfs/dbraw/zinc/18/06/50/1383180650.db2.gz BNCSDIMYKHDEEA-UHFFFAOYSA-N 0 0 325.280 3.102 10 5 EGBERN CSc1cccnc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001164565165 1383199524 /nfs/dbraw/zinc/19/95/24/1383199524.db2.gz JWMBCEAZTKIJFH-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN CNc1c(C(=O)NCc2ccc3occc3c2)cccc1[N+](=O)[O-] ZINC001165765602 1383342420 /nfs/dbraw/zinc/34/24/20/1383342420.db2.gz KDTGXJGQUNNATB-UHFFFAOYSA-N 0 0 325.324 3.313 10 5 EGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccccc1CF ZINC001165850654 1383352788 /nfs/dbraw/zinc/35/27/88/1383352788.db2.gz MUJXSFNJIUUORE-UHFFFAOYSA-N 0 0 341.136 3.037 10 5 EGBERN Cc1ccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)nc1C ZINC001299132373 1383474179 /nfs/dbraw/zinc/47/41/79/1383474179.db2.gz JQHIVJBLXZWMAK-UHFFFAOYSA-N 0 0 333.775 3.119 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCC2 ZINC001166808519 1383480377 /nfs/dbraw/zinc/48/03/77/1383480377.db2.gz ZHVZWCOPGIFSQG-LSDHHAIUSA-N 0 0 347.415 3.033 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)cc([N+](=O)[O-])c1 ZINC001299233594 1383490582 /nfs/dbraw/zinc/49/05/82/1383490582.db2.gz VOHIVABIDVBNBJ-HSZRJFAPSA-N 0 0 333.369 3.191 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S[C@H]1CCCS(=O)(=O)C1 ZINC001166944711 1383503248 /nfs/dbraw/zinc/50/32/48/1383503248.db2.gz GKFIRBIQNPWSLW-YPMHNXCESA-N 0 0 329.443 3.275 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001299750824 1383626253 /nfs/dbraw/zinc/62/62/53/1383626253.db2.gz RNNRYVMWRZWYFS-YOEHRIQHSA-N 0 0 332.306 3.409 10 5 EGBERN Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc12 ZINC001301115293 1383696817 /nfs/dbraw/zinc/69/68/17/1383696817.db2.gz FUXJLGARBIXDKP-UHFFFAOYSA-N 0 0 329.337 3.471 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccc(F)c1F ZINC001301810480 1383730587 /nfs/dbraw/zinc/73/05/87/1383730587.db2.gz QPJSVSQZWFBYBK-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN CC(C)Oc1cc(C(=O)NOc2ccccc2F)ccc1[N+](=O)[O-] ZINC001303333353 1383793952 /nfs/dbraw/zinc/79/39/52/1383793952.db2.gz KNHOJTRINIUODC-UHFFFAOYSA-N 0 0 334.303 3.245 10 5 EGBERN C[C@@H]1CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001303342853 1383794724 /nfs/dbraw/zinc/79/47/24/1383794724.db2.gz UAEXZKKXERJKTR-SECBINFHSA-N 0 0 328.318 3.194 10 5 EGBERN C[C@H]1CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001303342854 1383794962 /nfs/dbraw/zinc/79/49/62/1383794962.db2.gz UAEXZKKXERJKTR-VIFPVBQESA-N 0 0 328.318 3.194 10 5 EGBERN Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001303406298 1383798276 /nfs/dbraw/zinc/79/82/76/1383798276.db2.gz UAKQIKUCFPESCI-VIFPVBQESA-N 0 0 335.310 3.255 10 5 EGBERN CNc1cc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC001304193464 1383838718 /nfs/dbraw/zinc/83/87/18/1383838718.db2.gz SVXUEYRPOZLAHD-SNVBAGLBSA-N 0 0 348.790 3.218 10 5 EGBERN CCC[C@](C)(NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001305290819 1383859931 /nfs/dbraw/zinc/85/99/31/1383859931.db2.gz AXEHFYFPLDPPDB-HKUYNNGSSA-N 0 0 342.395 3.460 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)n1 ZINC001306670864 1383900338 /nfs/dbraw/zinc/90/03/38/1383900338.db2.gz NNPVMTRYMKNZNO-INIZCTEOSA-N 0 0 340.383 3.395 10 5 EGBERN Cc1cc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001306914127 1383919742 /nfs/dbraw/zinc/91/97/42/1383919742.db2.gz MZHCNWLXAJATQB-UHFFFAOYSA-N 0 0 347.440 3.166 10 5 EGBERN CCOC(=O)Cc1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001306976168 1383928458 /nfs/dbraw/zinc/92/84/58/1383928458.db2.gz KKDBDBSZFLBDPU-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN O=C1C[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001306992998 1383931142 /nfs/dbraw/zinc/93/11/42/1383931142.db2.gz JALMZVJTCVBHFO-SSDOTTSWSA-N 0 0 330.171 3.077 10 5 EGBERN C[C@H]1C[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001307080347 1383937881 /nfs/dbraw/zinc/93/78/81/1383937881.db2.gz LHGKXGUNEVTEIX-QWRGUYRKSA-N 0 0 335.791 3.445 10 5 EGBERN Cc1cscc1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307109309 1383941932 /nfs/dbraw/zinc/94/19/32/1383941932.db2.gz JGQOQSHCQJXMSR-UHFFFAOYSA-N 0 0 344.352 3.455 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001307144407 1383944881 /nfs/dbraw/zinc/94/48/81/1383944881.db2.gz ZCHANHPQUQFDTA-LBPRGKRZSA-N 0 0 348.834 3.483 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC001307144468 1383944990 /nfs/dbraw/zinc/94/49/90/1383944990.db2.gz AFZIRRKXSSUXPF-HWPRWLFBSA-N 0 0 342.355 3.053 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Oc2ccc(CC(=O)OC(C)(C)C)cc2)n1 ZINC001307152932 1383946681 /nfs/dbraw/zinc/94/66/81/1383946681.db2.gz JSKYPBCVXNMQPH-UHFFFAOYSA-N 0 0 333.344 3.005 10 5 EGBERN CC(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001307152371 1383946753 /nfs/dbraw/zinc/94/67/53/1383946753.db2.gz ACDGVHXCHCMZEN-JTQLQIEISA-N 0 0 343.811 3.091 10 5 EGBERN O=c1cc(CNc2ccc([N+](=O)[O-])cc2C(F)F)nc2ccccn12 ZINC001307155691 1383947234 /nfs/dbraw/zinc/94/72/34/1383947234.db2.gz RAFUTPSSJYDBJR-UHFFFAOYSA-N 0 0 346.293 3.152 10 5 EGBERN O=c1[nH]c2cc(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)ccc2o1 ZINC001307203416 1383956302 /nfs/dbraw/zinc/95/63/02/1383956302.db2.gz ZVZSEQACJWAUTA-UHFFFAOYSA-N 0 0 340.339 3.328 10 5 EGBERN CCc1nccn1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001307206688 1383957240 /nfs/dbraw/zinc/95/72/40/1383957240.db2.gz DCLFIKCAEXYPNA-UHFFFAOYSA-N 0 0 345.790 3.089 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC1(Br)CC1 ZINC001307219231 1383959205 /nfs/dbraw/zinc/95/92/05/1383959205.db2.gz NLEMQUMRRKZKPN-UHFFFAOYSA-N 0 0 340.152 3.043 10 5 EGBERN O=c1oc2ccccc2cc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC001307342380 1383974403 /nfs/dbraw/zinc/97/44/03/1383974403.db2.gz WHKBVNSGPYKTMD-UHFFFAOYSA-N 0 0 332.699 3.329 10 5 EGBERN Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c(C)n1 ZINC001307350591 1383975285 /nfs/dbraw/zinc/97/52/85/1383975285.db2.gz YEICBEZZUWDXFZ-UHFFFAOYSA-N 0 0 327.319 3.053 10 5 EGBERN CC[C@](O)(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538034 1383998194 /nfs/dbraw/zinc/99/81/94/1383998194.db2.gz QEPOOOOANIDCSW-AWEZNQCLSA-N 0 0 332.322 3.263 10 5 EGBERN Cc1noc(C)c1[C@H](C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307634734 1384005354 /nfs/dbraw/zinc/00/53/54/1384005354.db2.gz FKAGPUUPNBFREV-VIFPVBQESA-N 0 0 343.343 3.100 10 5 EGBERN CN(CCCN1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001168893041 1384050104 /nfs/dbraw/zinc/05/01/04/1384050104.db2.gz GGFQBAQDVWEUQI-UHFFFAOYSA-N 0 0 335.404 3.214 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCc2cc(Cl)ccc21 ZINC001307935209 1384059919 /nfs/dbraw/zinc/05/99/19/1384059919.db2.gz WOBADNFKUDHABL-UHFFFAOYSA-N 0 0 347.802 3.253 10 5 EGBERN Cn1cc(CN2CCCSc3cc(Cl)ccc32)c([N+](=O)[O-])n1 ZINC001308002914 1384073548 /nfs/dbraw/zinc/07/35/48/1384073548.db2.gz NLFIDOPYKJVSCE-UHFFFAOYSA-N 0 0 338.820 3.484 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCc3cc(F)cc(F)c3C2)c1 ZINC001308172610 1384105876 /nfs/dbraw/zinc/10/58/76/1384105876.db2.gz FKLLQYDIFGLYQS-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN COc1cnc(F)c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001169361216 1384140726 /nfs/dbraw/zinc/14/07/26/1384140726.db2.gz MOUWOOLYYATRHA-UHFFFAOYSA-N 0 0 343.673 3.182 10 5 EGBERN CC(=O)c1ccc(OS(=O)(=O)CC(C)(C)C(C)C)c([N+](=O)[O-])c1 ZINC001309333907 1384177924 /nfs/dbraw/zinc/17/79/24/1384177924.db2.gz DJBHYTYZSROBCN-UHFFFAOYSA-N 0 0 343.401 3.188 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001310095934 1384211603 /nfs/dbraw/zinc/21/16/03/1384211603.db2.gz CLMMVOMSMRVWOU-UHFFFAOYSA-N 0 0 341.367 3.470 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001313297022 1384408376 /nfs/dbraw/zinc/40/83/76/1384408376.db2.gz UJOMLEHCGWUCME-ZOBORPQBSA-N 0 0 331.416 3.421 10 5 EGBERN CC(C)CCCCC(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001318071958 1385624953 /nfs/dbraw/zinc/62/49/53/1385624953.db2.gz VWPIEJZDAOQQNX-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN Cc1nc(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)sc1C ZINC001318298863 1385643817 /nfs/dbraw/zinc/64/38/17/1385643817.db2.gz UYIQICGCSWPJOQ-UHFFFAOYSA-N 0 0 327.312 3.128 10 5 EGBERN CCCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC001319013663 1385926482 /nfs/dbraw/zinc/92/64/82/1385926482.db2.gz VQPWWRLDECNIMS-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NC)c1 ZINC001319393143 1386101126 /nfs/dbraw/zinc/10/11/26/1386101126.db2.gz GKHFIVHBKQNSOS-UHFFFAOYSA-N 0 0 343.383 3.008 10 5 EGBERN Cn1cnc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 ZINC001178831756 1386321045 /nfs/dbraw/zinc/32/10/45/1386321045.db2.gz GSVCVGQFUQSMEF-UHFFFAOYSA-N 0 0 349.350 3.144 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](OC)c2ccc(F)cc2)c1 ZINC001319997804 1386442822 /nfs/dbraw/zinc/44/28/22/1386442822.db2.gz SEDSSCWBQPAGFK-MRXNPFEDSA-N 0 0 348.330 3.320 10 5 EGBERN CCc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1O ZINC001179609835 1386530896 /nfs/dbraw/zinc/53/08/96/1386530896.db2.gz ZPFQAUXFJZANOC-UHFFFAOYSA-N 0 0 329.356 3.304 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C2 ZINC001180043825 1386678458 /nfs/dbraw/zinc/67/84/58/1386678458.db2.gz LJSKTMGDZGOEQT-LKFCYVNXSA-N 0 0 326.805 3.073 10 5 EGBERN Cc1cccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)C(C)(C)C ZINC001180183670 1386723366 /nfs/dbraw/zinc/72/33/66/1386723366.db2.gz FTMSKEQQRJIMLG-MRXNPFEDSA-N 0 0 342.399 3.398 10 5 EGBERN CCc1ccc2c(c1)CCN2C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001180431542 1386795229 /nfs/dbraw/zinc/79/52/29/1386795229.db2.gz PJFKANUSTGMVHC-UHFFFAOYSA-N 0 0 325.368 3.251 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 ZINC001321116059 1386813210 /nfs/dbraw/zinc/81/32/10/1386813210.db2.gz XKBSRJDNHDNKRA-UHFFFAOYSA-N 0 0 340.339 3.277 10 5 EGBERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1Br ZINC001321117445 1386814237 /nfs/dbraw/zinc/81/42/37/1386814237.db2.gz HASRGEZSBLUSKR-NXEZZACHSA-N 0 0 343.221 3.091 10 5 EGBERN COc1c(C(=O)OC[C@@H](OC)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001329451415 1389115476 /nfs/dbraw/zinc/11/54/76/1389115476.db2.gz XXNUMUGITZRMGA-OAHLLOKOSA-N 0 0 337.372 3.356 10 5 EGBERN CC(C)(C)OC1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001329619965 1389187484 /nfs/dbraw/zinc/18/74/84/1389187484.db2.gz PUHPGAJBYLEASR-UHFFFAOYSA-N 0 0 349.431 3.249 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001330556788 1389454447 /nfs/dbraw/zinc/45/44/47/1389454447.db2.gz BZBWULRVIJCHCQ-STQMWFEESA-N 0 0 349.431 3.021 10 5 EGBERN C[C@H](C(=O)NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC001330939236 1389571184 /nfs/dbraw/zinc/57/11/84/1389571184.db2.gz BVRLSVAYFXVQFB-JUXJKVCFSA-N 0 0 328.290 3.141 10 5 EGBERN CCCOc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2NC)c1 ZINC001331704075 1389857305 /nfs/dbraw/zinc/85/73/05/1389857305.db2.gz IAVMKKUJNFJMIW-UHFFFAOYSA-N 0 0 330.344 3.073 10 5 EGBERN CC1(C)CCc2onc(C[S@](=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC001339307268 1389984019 /nfs/dbraw/zinc/98/40/19/1389984019.db2.gz SPKXERKHVRHCOV-QHCPKHFHSA-N 0 0 334.397 3.406 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2ccn(CCF)n2)c(Br)c1 ZINC001332220248 1390052172 /nfs/dbraw/zinc/05/21/72/1390052172.db2.gz AODZYAIEXBTLPC-UHFFFAOYSA-N 0 0 343.156 3.135 10 5 EGBERN CO[C@H](COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC001333182456 1390263375 /nfs/dbraw/zinc/26/33/75/1390263375.db2.gz PZLRDURBDVJYDP-CQSZACIVSA-N 0 0 329.299 3.235 10 5 EGBERN CCOc1ccc(-c2nnc(Cc3ccncc3)o2)cc1[N+](=O)[O-] ZINC001341673542 1390516256 /nfs/dbraw/zinc/51/62/56/1390516256.db2.gz DPSYMTYZJFTJBD-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN CC(C)(C)Oc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001335127834 1390645806 /nfs/dbraw/zinc/64/58/06/1390645806.db2.gz RSKWSUIUIGNNPH-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCOC2(CCC2)C1 ZINC001345609514 1390868394 /nfs/dbraw/zinc/86/83/94/1390868394.db2.gz FCBCNRDFZKAADZ-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cc(C)oc2C)c1 ZINC001346118696 1390909045 /nfs/dbraw/zinc/90/90/45/1390909045.db2.gz WGGIGJUPMMJWDY-NSHDSACASA-N 0 0 332.356 3.442 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC001346197866 1390914625 /nfs/dbraw/zinc/91/46/25/1390914625.db2.gz OUSKRQOKVOXKHW-LBPRGKRZSA-N 0 0 338.360 3.085 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001346288736 1390919823 /nfs/dbraw/zinc/91/98/23/1390919823.db2.gz NSIARMWKVOCCKU-NSHDSACASA-N 0 0 339.392 3.176 10 5 EGBERN O=C(OC[C@@H]1CCc2cccnc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001346570417 1390955223 /nfs/dbraw/zinc/95/52/23/1390955223.db2.gz REQIOUZORVLLCE-USXIJHARSA-N 0 0 338.363 3.367 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[C@@]12CCOC2 ZINC001346630246 1390964176 /nfs/dbraw/zinc/96/41/76/1390964176.db2.gz HFQHXBMGJJZQCT-KRWDZBQOSA-N 0 0 327.340 3.145 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001346817675 1390980364 /nfs/dbraw/zinc/98/03/64/1390980364.db2.gz CMOUGBJHEGGMOZ-CABZTGNLSA-N 0 0 347.289 3.472 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001347835979 1391132593 /nfs/dbraw/zinc/13/25/93/1391132593.db2.gz ZEUHMJWXPLPHFV-QNSHHTMESA-N 0 0 330.718 3.412 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001348254007 1391192792 /nfs/dbraw/zinc/19/27/92/1391192792.db2.gz ITFIUFWSJXFITO-GOEBONIOSA-N 0 0 343.383 3.250 10 5 EGBERN C[C@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001348281297 1391198649 /nfs/dbraw/zinc/19/86/49/1391198649.db2.gz HVVNVTGOIZNSTI-KBXCAEBGSA-N 0 0 342.395 3.328 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccn(CCc2ccccc2)n1 ZINC001348448616 1391221135 /nfs/dbraw/zinc/22/11/35/1391221135.db2.gz PBZBLKHGKMAUMW-UHFFFAOYSA-N 0 0 336.351 3.286 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccccc2)c1C ZINC001348624538 1391245744 /nfs/dbraw/zinc/24/57/44/1391245744.db2.gz YZQYTUKLBHVNAD-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN Cc1cc(N2CC[C@H](Nc3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001349067259 1391300448 /nfs/dbraw/zinc/30/04/48/1391300448.db2.gz CLWNGIULZRWTNC-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN CC[C@H]1CCC[C@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349071158 1391300882 /nfs/dbraw/zinc/30/08/82/1391300882.db2.gz CTTXCKGXZVEHHJ-KXBFYZLASA-N 0 0 345.443 3.460 10 5 EGBERN C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC001349254659 1391315172 /nfs/dbraw/zinc/31/51/72/1391315172.db2.gz QSWUDMNDJKXLTD-CYBMUJFWSA-N 0 0 347.415 3.336 10 5 EGBERN COc1cc(C)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC001349435356 1391330676 /nfs/dbraw/zinc/33/06/76/1391330676.db2.gz VLEAKJZYGNTBBO-UHFFFAOYSA-N 0 0 326.352 3.423 10 5 EGBERN Cc1ccc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc1C ZINC001349856597 1391376256 /nfs/dbraw/zinc/37/62/56/1391376256.db2.gz YZILFNOGTIPPKU-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1C ZINC001349861000 1391377083 /nfs/dbraw/zinc/37/70/83/1391377083.db2.gz PUBXVFJVBSXJQO-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001350059982 1391404588 /nfs/dbraw/zinc/40/45/88/1391404588.db2.gz SHGONDQQBZYXDS-UHFFFAOYSA-N 0 0 332.331 3.338 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001350083896 1391408527 /nfs/dbraw/zinc/40/85/27/1391408527.db2.gz BPQXRGCNLKFCEX-SNVBAGLBSA-N 0 0 339.298 3.072 10 5 EGBERN O=C(c1cc2ccncc2s1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351152452 1391605258 /nfs/dbraw/zinc/60/52/58/1391605258.db2.gz DFJQSPRDZQOZCP-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN O=C(c1nsc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351153816 1391605319 /nfs/dbraw/zinc/60/53/19/1391605319.db2.gz PXMBHPQNRVWVHD-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN O=C(Cc1ccc2cnccc2c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001351283316 1391620610 /nfs/dbraw/zinc/62/06/10/1391620610.db2.gz NNTDBEYWGWYZJM-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2ccc(Cl)cc21 ZINC001351284306 1391620779 /nfs/dbraw/zinc/62/07/79/1391620779.db2.gz XAVVQMJQNHWRRE-INIZCTEOSA-N 0 0 330.771 3.247 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001351397035 1391636379 /nfs/dbraw/zinc/63/63/79/1391636379.db2.gz QGNADMTZHMRSTR-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN COC(=O)Nc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)ccc1F ZINC001351431147 1391639017 /nfs/dbraw/zinc/63/90/17/1391639017.db2.gz XFHRSDQUDPOZCX-UHFFFAOYSA-N 0 0 334.259 3.131 10 5 EGBERN Cn1cnc2cccc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)c21 ZINC001352371940 1391789800 /nfs/dbraw/zinc/78/98/00/1391789800.db2.gz ROSIYLTZQPBZSZ-UHFFFAOYSA-N 0 0 332.266 3.012 10 5 EGBERN O=C(Nc1cccnc1Cl)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001352477034 1391801910 /nfs/dbraw/zinc/80/19/10/1391801910.db2.gz JMOSUTLEDMHTTF-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN CCCOc1cc(NC(=O)[C@@H]2C[C@H]2F)c([N+](=O)[O-])cc1OCCC ZINC001352559826 1391814042 /nfs/dbraw/zinc/81/40/42/1391814042.db2.gz HYFPBSBXRXMYRL-GHMZBOCLSA-N 0 0 340.351 3.469 10 5 EGBERN COc1cccc([C@@H](C)C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001352604563 1391821200 /nfs/dbraw/zinc/82/12/00/1391821200.db2.gz WYSUNKSNZNTYHY-GFCCVEGCSA-N 0 0 326.352 3.296 10 5 EGBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353011411 1391910409 /nfs/dbraw/zinc/91/04/09/1391910409.db2.gz JTZDUTSDMNETOW-ISTRZQFTSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(-c2ccccn2)nc1 ZINC001353090552 1391930581 /nfs/dbraw/zinc/93/05/81/1391930581.db2.gz FTWCHXIIHSRJSB-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001353295033 1391984573 /nfs/dbraw/zinc/98/45/73/1391984573.db2.gz MFEKPXGOJCONGJ-IRXDYDNUSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1csc2nc(CC(=O)Oc3c(C)cc(C)cc3[N+](=O)[O-])cn12 ZINC001353348493 1391993768 /nfs/dbraw/zinc/99/37/68/1391993768.db2.gz TUUYEASIBXHBST-UHFFFAOYSA-N 0 0 345.380 3.377 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC001353472081 1392018417 /nfs/dbraw/zinc/01/84/17/1392018417.db2.gz PZHJCYJHCCLRBY-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN Cc1conc1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001353927614 1392109014 /nfs/dbraw/zinc/10/90/14/1392109014.db2.gz WIXHYIXCPJQRAO-UHFFFAOYSA-N 0 0 341.117 3.011 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC001354000887 1392113562 /nfs/dbraw/zinc/11/35/62/1392113562.db2.gz AVRUXNUJJSDKRQ-SUNKGSAMSA-N 0 0 335.356 3.348 10 5 EGBERN CO[C@@]1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001354361672 1392140142 /nfs/dbraw/zinc/14/01/42/1392140142.db2.gz CWLROCYMWCSHRI-BBRMVZONSA-N 0 0 338.429 3.250 10 5 EGBERN O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001354388824 1392141575 /nfs/dbraw/zinc/14/15/75/1392141575.db2.gz MRDVIGUMZFMBQZ-OAHLLOKOSA-N 0 0 328.755 3.477 10 5 EGBERN CC(C)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001354597796 1392155291 /nfs/dbraw/zinc/15/52/91/1392155291.db2.gz IDKAAZFKYJJVCG-CYBMUJFWSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1cc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c2nccn2c1 ZINC001354617190 1392156462 /nfs/dbraw/zinc/15/64/62/1392156462.db2.gz YGHLHRSTSOEKSO-GFCCVEGCSA-N 0 0 325.324 3.469 10 5 EGBERN Cc1noc([C@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C(C)C)n1 ZINC001687492185 1396393147 /nfs/dbraw/zinc/39/31/47/1396393147.db2.gz ZXJFKYAVMRQZQG-QMTHXVAHSA-N 0 0 347.375 3.044 10 5 EGBERN CC1(CC(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001494545638 1396465021 /nfs/dbraw/zinc/46/50/21/1396465021.db2.gz FEMFMCKBAZUOOK-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN C[C@H](CNC(=O)NCC1(O)CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687731979 1396474338 /nfs/dbraw/zinc/47/43/38/1396474338.db2.gz AJDBIVQACPQDBM-CQSZACIVSA-N 0 0 349.431 3.083 10 5 EGBERN CC(C)CC(C)(C)C(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001494610949 1396486662 /nfs/dbraw/zinc/48/66/62/1396486662.db2.gz DRMDAQSUOFCLMP-UHFFFAOYSA-N 0 0 347.459 3.215 10 5 EGBERN CC(C)=C(C)CC(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001715917818 1420396647 /nfs/dbraw/zinc/39/66/47/1420396647.db2.gz CYCOFPBVQJGJCK-UHFFFAOYSA-N 0 0 333.432 3.231 10 5 EGBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC1CCCC1 ZINC001726384030 1427054434 /nfs/dbraw/zinc/05/44/34/1427054434.db2.gz CBXFMZXGZOPNLJ-UHFFFAOYSA-N 0 0 341.415 3.248 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](C)C1 ZINC001730964746 1427185486 /nfs/dbraw/zinc/18/54/86/1427185486.db2.gz HETYLPPPSUKDGA-QWHCGFSZSA-N 0 0 345.403 3.287 10 5 EGBERN CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001745075982 1439726490 /nfs/dbraw/zinc/72/64/90/1439726490.db2.gz DQPWPFCLAFFBDU-ARJAWSKDSA-N 0 0 327.388 3.420 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001752039480 1440134597 /nfs/dbraw/zinc/13/45/97/1440134597.db2.gz MYRDVDGEWXTYJZ-IUODEOHRSA-N 0 0 341.415 3.356 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC=CO1 ZINC001766391219 1441401430 /nfs/dbraw/zinc/40/14/30/1441401430.db2.gz GZRUFIJXPWIPAY-OAHLLOKOSA-N 0 0 343.387 3.002 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2c(F)cccc2F)c1 ZINC000049998706 214039954 /nfs/dbraw/zinc/03/99/54/214039954.db2.gz ZVISFOFMENJRGG-OAHLLOKOSA-N 0 0 345.305 3.470 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000183852378 282167770 /nfs/dbraw/zinc/16/77/70/282167770.db2.gz IJBOOQDZCCCXFH-LLVKDONJSA-N 0 0 337.335 3.019 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC2(CCCCC2)C1 ZINC000174464915 231214893 /nfs/dbraw/zinc/21/48/93/231214893.db2.gz MKIGVYZOOONYMQ-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000174994201 231362529 /nfs/dbraw/zinc/36/25/29/231362529.db2.gz JIKCNKKJOUGPMS-UHFFFAOYSA-N 0 0 342.355 3.055 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1cccc([N+](=O)[O-])c1 ZINC000177811808 529558299 /nfs/dbraw/zinc/55/82/99/529558299.db2.gz QJIRWKUVIAZYNH-HNNXBMFYSA-N 0 0 329.356 3.017 10 5 EGBERN CCc1ccc(C(=O)N(CC)CCc2nccs2)cc1[N+](=O)[O-] ZINC000131732857 529593678 /nfs/dbraw/zinc/59/36/78/529593678.db2.gz DAYFHCJHQLWXMA-UHFFFAOYSA-N 0 0 333.413 3.319 10 5 EGBERN C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(C)(C)O ZINC000058407145 214577458 /nfs/dbraw/zinc/57/74/58/214577458.db2.gz WSBOKMOWGPGKTA-LBPRGKRZSA-N 0 0 328.368 3.397 10 5 EGBERN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000129550437 529707032 /nfs/dbraw/zinc/70/70/32/529707032.db2.gz JXFDETSPAYKLDZ-CYBMUJFWSA-N 0 0 348.424 3.338 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(OCC(F)(F)F)cc2)c1=O ZINC000178223375 232112308 /nfs/dbraw/zinc/11/23/08/232112308.db2.gz BDKZKPKWICIVGM-UHFFFAOYSA-N 0 0 342.273 3.054 10 5 EGBERN CN(C)c1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040608668 213358253 /nfs/dbraw/zinc/35/82/53/213358253.db2.gz SHTZHWJNOJCNSN-UHFFFAOYSA-N 0 0 327.369 3.150 10 5 EGBERN Cc1ccc2cccc(Nc3ncnc(-n4ccnc4)c3[N+](=O)[O-])c2n1 ZINC000040627000 213360935 /nfs/dbraw/zinc/36/09/35/213360935.db2.gz QINXXBJEDSOXPF-UHFFFAOYSA-N 0 0 347.338 3.171 10 5 EGBERN CCCCN(C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586085 213355032 /nfs/dbraw/zinc/35/50/32/213355032.db2.gz XYNMJIZEKGNBJM-UHFFFAOYSA-N 0 0 327.388 3.315 10 5 EGBERN CCc1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040587366 213354794 /nfs/dbraw/zinc/35/47/94/213354794.db2.gz DHPRXULVJYJIMJ-UHFFFAOYSA-N 0 0 330.392 3.406 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC2(CC2)c2ccccc21 ZINC000181261346 234134963 /nfs/dbraw/zinc/13/49/63/234134963.db2.gz YSHWRZDREKKDQV-UHFFFAOYSA-N 0 0 338.319 3.016 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000040111460 213266949 /nfs/dbraw/zinc/26/69/49/213266949.db2.gz AKEVDAHKFKZBDR-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000183775248 235221975 /nfs/dbraw/zinc/22/19/75/235221975.db2.gz CLHOVNNUDUKWTB-SECBINFHSA-N 0 0 336.417 3.407 10 5 EGBERN CC(C)CN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984333 213183916 /nfs/dbraw/zinc/18/39/16/213183916.db2.gz SVVCFBAVPCKFRH-UHFFFAOYSA-N 0 0 332.809 3.057 10 5 EGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1csc(Br)c1 ZINC000037843852 213169926 /nfs/dbraw/zinc/16/99/26/213169926.db2.gz ZYWWHYNVSYEKCW-UHFFFAOYSA-N 0 0 334.176 3.128 10 5 EGBERN C[C@H](c1ccc(F)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025493084 212484073 /nfs/dbraw/zinc/48/40/73/212484073.db2.gz VXGHMAUYVNHOPR-SNVBAGLBSA-N 0 0 331.351 3.296 10 5 EGBERN CC(=O)N1N=C(c2cccs2)O[C@@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000021091166 212205632 /nfs/dbraw/zinc/20/56/32/212205632.db2.gz GCOZQIUXDSJQMB-HNNXBMFYSA-N 0 0 331.353 3.070 10 5 EGBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])o1 ZINC000182118385 284176046 /nfs/dbraw/zinc/17/60/46/284176046.db2.gz MGKZRCIQMSVCFB-NSHDSACASA-N 0 0 336.731 3.485 10 5 EGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)CC2CC2)c(-c2cccs2)c1 ZINC000265082575 247186290 /nfs/dbraw/zinc/18/62/90/247186290.db2.gz IWJQVJHTYZBCJS-UHFFFAOYSA-N 0 0 339.394 3.442 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)Oc1ccccc1O2 ZINC000377570346 169043057 /nfs/dbraw/zinc/04/30/57/169043057.db2.gz FPVWBWIJGUIJCA-UHFFFAOYSA-N 0 0 341.323 3.000 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378389385 169112547 /nfs/dbraw/zinc/11/25/47/169112547.db2.gz RPUISAXDTSXTFG-QFBILLFUSA-N 0 0 340.379 3.031 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378403390 169115463 /nfs/dbraw/zinc/11/54/63/169115463.db2.gz YCMXLTVBYXONCP-CHWSQXEVSA-N 0 0 338.429 3.244 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](c2ccccc2)[C@@H]2CCOC2)nc2sccn21 ZINC000378412882 169116788 /nfs/dbraw/zinc/11/67/88/169116788.db2.gz SFPPKSZUDRJLJU-OLZOCXBDSA-N 0 0 344.396 3.494 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407965892 169154160 /nfs/dbraw/zinc/15/41/60/169154160.db2.gz MFXCSRVNMHRGAX-UONOGXRCSA-N 0 0 331.416 3.313 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@](C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000408049958 169158184 /nfs/dbraw/zinc/15/81/84/169158184.db2.gz GYBGIRZBLBPKAO-SCLBCKFNSA-N 0 0 349.406 3.405 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408208403 169165549 /nfs/dbraw/zinc/16/55/49/169165549.db2.gz WIUFAMRMAWGQPN-INIZCTEOSA-N 0 0 332.400 3.325 10 5 EGBERN COc1c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cccc1[N+](=O)[O-] ZINC000408307098 169169997 /nfs/dbraw/zinc/16/99/97/169169997.db2.gz CORRFSJOOXINBH-VTXSZYRJSA-N 0 0 330.384 3.254 10 5 EGBERN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000091439125 218005683 /nfs/dbraw/zinc/00/56/83/218005683.db2.gz SOHBIUZQWMHBPF-UHFFFAOYSA-N 0 0 327.178 3.229 10 5 EGBERN O=C(NC1CC1)[C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000011521232 211220550 /nfs/dbraw/zinc/22/05/50/211220550.db2.gz IZXUAAMCUZCDMB-MRXNPFEDSA-N 0 0 348.305 3.272 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000267302626 250926278 /nfs/dbraw/zinc/92/62/78/250926278.db2.gz QRNYZCWYPNYXCO-QGZVFWFLSA-N 0 0 340.379 3.340 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000007305197 210781946 /nfs/dbraw/zinc/78/19/46/210781946.db2.gz MMHMYCNXQWHAMC-SNVBAGLBSA-N 0 0 340.788 3.288 10 5 EGBERN Cc1ccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000006234233 210605498 /nfs/dbraw/zinc/60/54/98/210605498.db2.gz OGBSYZYAPOCKGW-RIYZIHGNSA-N 0 0 326.283 3.387 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152816524 224016003 /nfs/dbraw/zinc/01/60/03/224016003.db2.gz OTKVJDJSUAZKAJ-JTQLQIEISA-N 0 0 334.397 3.421 10 5 EGBERN O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000370324791 284987866 /nfs/dbraw/zinc/98/78/66/284987866.db2.gz KOZDWDHSJODBFZ-BBRMVZONSA-N 0 0 343.383 3.332 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])NC3=O)cc1 ZINC000004929032 210327279 /nfs/dbraw/zinc/32/72/79/210327279.db2.gz BNASVFNLJBRDKP-INIZCTEOSA-N 0 0 334.335 3.126 10 5 EGBERN O=c1c2ccccc2nc2ccc(N3CCC[C@H]4CCCC[C@H]43)nn21 ZINC000230033655 285211976 /nfs/dbraw/zinc/21/19/76/285211976.db2.gz KEIZMKJWGWMDSY-RHSMWYFYSA-N 0 0 334.423 3.402 10 5 EGBERN O=[N+]([O-])c1cccnc1NCc1cccc(COC2CCOCC2)c1 ZINC000071894585 258064066 /nfs/dbraw/zinc/06/40/66/258064066.db2.gz UJVIVMAHZMWNJB-UHFFFAOYSA-N 0 0 343.383 3.298 10 5 EGBERN COC(=O)[C@H](NCc1csc([N+](=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000189632342 533346610 /nfs/dbraw/zinc/34/66/10/533346610.db2.gz ZBIUOODXEUYSDS-OAHLLOKOSA-N 0 0 334.397 3.277 10 5 EGBERN Cc1cc(F)c2c(c1)CCCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030153226 135745267 /nfs/dbraw/zinc/74/52/67/135745267.db2.gz LVRNJDLNILXTNA-UHFFFAOYSA-N 0 0 343.358 3.434 10 5 EGBERN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263490220 141052078 /nfs/dbraw/zinc/05/20/78/141052078.db2.gz IHRODJKEPJKARS-ZLDLUXBVSA-N 0 0 338.791 3.466 10 5 EGBERN C[C@@H](Cc1cccs1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341191230 141134739 /nfs/dbraw/zinc/13/47/39/141134739.db2.gz LGUBRCMAHNUJAF-VIFPVBQESA-N 0 0 340.351 3.224 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)nc2c1 ZINC000344483973 141163216 /nfs/dbraw/zinc/16/32/16/141163216.db2.gz VXRYEYPKZYXNDT-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCCCNc3ccccc3F)c21 ZINC000347909254 141214756 /nfs/dbraw/zinc/21/47/56/141214756.db2.gz SFPVGBQUSQLMRL-UHFFFAOYSA-N 0 0 341.346 3.013 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000348001460 141231446 /nfs/dbraw/zinc/23/14/46/141231446.db2.gz BMDMDBCGRNRKNL-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000348171293 141243972 /nfs/dbraw/zinc/24/39/72/141243972.db2.gz PXCMAAFJIFAITI-UHFFFAOYSA-N 0 0 329.337 3.471 10 5 EGBERN Cc1ccccc1S(=O)(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000350767405 141265587 /nfs/dbraw/zinc/26/55/87/141265587.db2.gz JULRPOFESUOMIW-UHFFFAOYSA-N 0 0 327.308 3.155 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1n[nH]c2cc(F)ccc21 ZINC000356841421 141352591 /nfs/dbraw/zinc/35/25/91/141352591.db2.gz QADFSFBSFNCVLF-UHFFFAOYSA-N 0 0 344.302 3.018 10 5 EGBERN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106841254 143939457 /nfs/dbraw/zinc/93/94/57/143939457.db2.gz UERZESJTNMZIPL-OAHLLOKOSA-N 0 0 341.367 3.199 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171225415 144001916 /nfs/dbraw/zinc/00/19/16/144001916.db2.gz FNVIVJSDQFGAIC-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000172015341 144015087 /nfs/dbraw/zinc/01/50/87/144015087.db2.gz PTTPTNSMGOIRGF-JTQLQIEISA-N 0 0 326.399 3.004 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000178941017 144077358 /nfs/dbraw/zinc/07/73/58/144077358.db2.gz DVABHCGFMRZJTJ-HNNXBMFYSA-N 0 0 331.328 3.102 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C(F)F)cc1 ZINC000184608469 144095815 /nfs/dbraw/zinc/09/58/15/144095815.db2.gz UHYXXRWEPYZXLO-UHFFFAOYSA-N 0 0 336.294 3.228 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184967669 144101783 /nfs/dbraw/zinc/10/17/83/144101783.db2.gz ACKQVSMVWKMFOM-LBPRGKRZSA-N 0 0 343.387 3.188 10 5 EGBERN Cc1cccc(-c2noc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)n2)c1 ZINC000185164653 144106007 /nfs/dbraw/zinc/10/60/07/144106007.db2.gz CJYPTQUDOSKYOU-UHFFFAOYSA-N 0 0 325.328 3.075 10 5 EGBERN COc1cccc2c1CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000192583371 144176997 /nfs/dbraw/zinc/17/69/97/144176997.db2.gz PIOCTZDECZZTQL-UHFFFAOYSA-N 0 0 341.367 3.236 10 5 EGBERN COc1cc(NCCc2cnc(C3CC3)nc2)c(F)cc1[N+](=O)[O-] ZINC000351506006 144271272 /nfs/dbraw/zinc/27/12/72/144271272.db2.gz QVARLZIJUFSGDQ-UHFFFAOYSA-N 0 0 332.335 3.065 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000374696162 144554843 /nfs/dbraw/zinc/55/48/43/144554843.db2.gz IXFDVFREUUDWJD-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccco1 ZINC000116212083 152050496 /nfs/dbraw/zinc/05/04/96/152050496.db2.gz KVQAUMRHMQXDLP-ZDUSSCGKSA-N 0 0 326.312 3.041 10 5 EGBERN CCn1cnnc1[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275407 152054839 /nfs/dbraw/zinc/05/48/39/152054839.db2.gz OLBJUKYAVSHQEA-ZDUSSCGKSA-N 0 0 349.822 3.239 10 5 EGBERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116410042 152060712 /nfs/dbraw/zinc/06/07/12/152060712.db2.gz AQNJLOJMCKHOQJ-JTQLQIEISA-N 0 0 349.778 3.003 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000117576384 152102803 /nfs/dbraw/zinc/10/28/03/152102803.db2.gz GPGPSYZIBCGAAR-GFCCVEGCSA-N 0 0 343.335 3.465 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000120728152 152295344 /nfs/dbraw/zinc/29/53/44/152295344.db2.gz BHRPHFBMHMBMAI-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000121084479 152324506 /nfs/dbraw/zinc/32/45/06/152324506.db2.gz PTQRWKRQIIOXPV-RISCZKNCSA-N 0 0 349.749 3.377 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000121084317 152324569 /nfs/dbraw/zinc/32/45/69/152324569.db2.gz PTQRWKRQIIOXPV-BXUZGUMPSA-N 0 0 349.749 3.377 10 5 EGBERN O=C(NCCc1ccccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161609463 152775543 /nfs/dbraw/zinc/77/55/43/152775543.db2.gz MRTPQBIGJVWOIY-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000174055606 152836495 /nfs/dbraw/zinc/83/64/95/152836495.db2.gz WHPVSPDRYJQWJE-CABCVRRESA-N 0 0 348.790 3.358 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000188394756 153014070 /nfs/dbraw/zinc/01/40/70/153014070.db2.gz HHFMRTDWGGXHGK-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN COc1ccc(C(=O)N[C@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000190654929 153153755 /nfs/dbraw/zinc/15/37/55/153153755.db2.gz OYOVQAQXQGDDMS-AWEZNQCLSA-N 0 0 342.351 3.165 10 5 EGBERN Cc1ccc(C(=O)N[C@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000190636496 153154218 /nfs/dbraw/zinc/15/42/18/153154218.db2.gz QCJBKJGKZDKEPY-HNNXBMFYSA-N 0 0 326.352 3.465 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191850990 153225411 /nfs/dbraw/zinc/22/54/11/153225411.db2.gz ZNIJHUUZVUVCHN-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000195238956 153388621 /nfs/dbraw/zinc/38/86/21/153388621.db2.gz FOJDETJEYVWVBE-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000245416918 153578659 /nfs/dbraw/zinc/57/86/59/153578659.db2.gz FPXKHWIUKCDFLH-PIIMJCKOSA-N 0 0 344.411 3.401 10 5 EGBERN CCNc1ccc(C(=O)N(C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000327503490 154188336 /nfs/dbraw/zinc/18/83/36/154188336.db2.gz PPGKHSYNUORADN-UHFFFAOYSA-N 0 0 343.383 3.307 10 5 EGBERN O=c1[nH]c2ccccc2c(=O)n1CCCCc1ccc([N+](=O)[O-])cc1 ZINC000337630800 154457856 /nfs/dbraw/zinc/45/78/56/154457856.db2.gz ODLFUAPJWWWVNQ-UHFFFAOYSA-N 0 0 339.351 3.033 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000343099509 155648602 /nfs/dbraw/zinc/64/86/02/155648602.db2.gz VNENDDUSHPINRM-UHFFFAOYSA-N 0 0 342.351 3.294 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCCc1cc(-c2ccncc2)n[nH]1 ZINC000343104545 155651536 /nfs/dbraw/zinc/65/15/36/155651536.db2.gz PTWQUMLFWOBMQF-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN CCc1nc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c(C)o1 ZINC000346892470 156183568 /nfs/dbraw/zinc/18/35/68/156183568.db2.gz XGBQBCZFBQGXQB-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN Cc1cc(C)n([C@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000348912884 156286301 /nfs/dbraw/zinc/28/63/01/156286301.db2.gz ULOJBRFLIAFSDL-TZMCWYRMSA-N 0 0 342.399 3.337 10 5 EGBERN CC(C)n1c(SCc2csc([N+](=O)[O-])c2)nnc1N(C)C ZINC000348998714 156311871 /nfs/dbraw/zinc/31/18/71/156311871.db2.gz BNHJCYXZBBZUDE-UHFFFAOYSA-N 0 0 327.435 3.187 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ccnc3ccncc32)cc1[N+](=O)[O-] ZINC000354527408 156563573 /nfs/dbraw/zinc/56/35/73/156563573.db2.gz BVSCOSLSNPJUOG-LBPRGKRZSA-N 0 0 336.351 3.337 10 5 EGBERN COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000368865556 157310230 /nfs/dbraw/zinc/31/02/30/157310230.db2.gz JIXKTCKMTYFVNR-LLVKDONJSA-N 0 0 348.380 3.227 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)no1 ZINC000064329576 161562994 /nfs/dbraw/zinc/56/29/94/161562994.db2.gz BDYBYKBCGQTLJO-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN Cc1sc(C(=O)NCc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000067359595 161593496 /nfs/dbraw/zinc/59/34/96/161593496.db2.gz MDIQKVAUSOQAKM-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000105971445 162059407 /nfs/dbraw/zinc/05/94/07/162059407.db2.gz UTGDLSKWMNIXCC-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN CCOc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1F ZINC000105985366 162060574 /nfs/dbraw/zinc/06/05/74/162060574.db2.gz CCWPRHAYROKVGD-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000108817447 162085824 /nfs/dbraw/zinc/08/58/24/162085824.db2.gz PLNPUHZXHIZVKG-UHFFFAOYSA-N 0 0 340.339 3.302 10 5 EGBERN COc1ccc(C(=O)N2CCc3c2c(F)ccc3F)cc1[N+](=O)[O-] ZINC000354106840 165966922 /nfs/dbraw/zinc/96/69/22/165966922.db2.gz HJTYMXFJSYOKAI-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COc1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cn1 ZINC000109590515 162106770 /nfs/dbraw/zinc/10/67/70/162106770.db2.gz BDEMGOPGKUURQS-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110356463 162125093 /nfs/dbraw/zinc/12/50/93/162125093.db2.gz HKNXZDNYXNWEJM-GFCCVEGCSA-N 0 0 347.440 3.215 10 5 EGBERN C[S@@](=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000110932648 162138893 /nfs/dbraw/zinc/13/88/93/162138893.db2.gz COMWOXTXADQEEE-DEOSSOPVSA-N 0 0 343.364 3.066 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000113121306 162202679 /nfs/dbraw/zinc/20/26/79/162202679.db2.gz KBBQOPFISZQBIM-UHFFFAOYSA-N 0 0 333.775 3.266 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 ZINC000114225343 162225166 /nfs/dbraw/zinc/22/51/66/162225166.db2.gz NKJVZERLMLEBIF-UHFFFAOYSA-N 0 0 349.140 3.179 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125175956 162266442 /nfs/dbraw/zinc/26/64/42/162266442.db2.gz FJHOVNPAWMKWCN-QGZVFWFLSA-N 0 0 348.424 3.499 10 5 EGBERN Cc1cc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000128859105 162338503 /nfs/dbraw/zinc/33/85/03/162338503.db2.gz ZOJRNQILEMFVEO-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC000131393014 162399179 /nfs/dbraw/zinc/39/91/79/162399179.db2.gz KVPLUWAFHJMQRL-JOCHJYFZSA-N 0 0 338.410 3.096 10 5 EGBERN COc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337137609 163141359 /nfs/dbraw/zinc/14/13/59/163141359.db2.gz OHGMJALSGBHXFZ-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CSC1(C)C ZINC000338496450 163246149 /nfs/dbraw/zinc/24/61/49/163246149.db2.gz KFFKRJUENJYPIU-QPUJVOFHSA-N 0 0 344.820 3.026 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CSC1(C)C ZINC000338514434 163254481 /nfs/dbraw/zinc/25/44/81/163254481.db2.gz MLDOAAUZSSTECX-LBPRGKRZSA-N 0 0 325.390 3.009 10 5 EGBERN C[C@@H](NC(=O)NC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000338666476 163311815 /nfs/dbraw/zinc/31/18/15/163311815.db2.gz BAHHKKOCQNWYIO-CYBMUJFWSA-N 0 0 335.404 3.040 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000340222712 163511409 /nfs/dbraw/zinc/51/14/09/163511409.db2.gz SIUQDKTZHBDPES-LRDDRELGSA-N 0 0 325.368 3.135 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccnc1)C1CC1 ZINC000340401089 163570621 /nfs/dbraw/zinc/57/06/21/163570621.db2.gz NRJHNBAYVYNPJV-KRWDZBQOSA-N 0 0 343.408 3.349 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000341979088 163753980 /nfs/dbraw/zinc/75/39/80/163753980.db2.gz GIADCDIWNZUWHY-OAHLLOKOSA-N 0 0 333.319 3.243 10 5 EGBERN CSCC[C@@H](C)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342263086 163829256 /nfs/dbraw/zinc/82/92/56/163829256.db2.gz JJPIEYWIHDQFDI-SECBINFHSA-N 0 0 332.372 3.016 10 5 EGBERN C[C@H]1CSC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342318857 163847209 /nfs/dbraw/zinc/84/72/09/163847209.db2.gz MUXBBNQUIXYOAE-CBAPKCEASA-N 0 0 334.319 3.095 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342542743 163905293 /nfs/dbraw/zinc/90/52/93/163905293.db2.gz FOFBADXATXIIFE-JTQLQIEISA-N 0 0 344.396 3.373 10 5 EGBERN Cc1cc(=NC(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000342647860 163931820 /nfs/dbraw/zinc/93/18/20/163931820.db2.gz GZBCAWQWFNSQOV-CYBMUJFWSA-N 0 0 342.399 3.064 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960094 164073062 /nfs/dbraw/zinc/07/30/62/164073062.db2.gz HTSMDJBEMPLUHC-TZMCWYRMSA-N 0 0 347.415 3.052 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000344180494 164120946 /nfs/dbraw/zinc/12/09/46/164120946.db2.gz NLVCJMRPPXHSJN-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344185250 164121767 /nfs/dbraw/zinc/12/17/67/164121767.db2.gz CSWNITCUJXHADG-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN O=C(NCc1ccc2ccccc2n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188593 164122876 /nfs/dbraw/zinc/12/28/76/164122876.db2.gz KAFZBBDWHGTENC-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN COc1ncccc1-c1noc(-c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000346053153 164327054 /nfs/dbraw/zinc/32/70/54/164327054.db2.gz CKGOAFLPTIPJRZ-UHFFFAOYSA-N 0 0 344.352 3.437 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346346587 164372617 /nfs/dbraw/zinc/37/26/17/164372617.db2.gz ILQSOMTXEHPBML-MRXNPFEDSA-N 0 0 329.356 3.081 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347086360 164443070 /nfs/dbraw/zinc/44/30/70/164443070.db2.gz JJJPHKWHHQXNHQ-SGTLLEGYSA-N 0 0 326.352 3.023 10 5 EGBERN CO[C@@H](C)CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347562592 164521911 /nfs/dbraw/zinc/52/19/11/164521911.db2.gz GIOXFJWQYURALC-NWDGAFQWSA-N 0 0 326.368 3.109 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348454482 164743465 /nfs/dbraw/zinc/74/34/65/164743465.db2.gz YFYWPFLREHBSPW-SCZZXKLOSA-N 0 0 347.293 3.408 10 5 EGBERN CO[C@@](C)(c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000350428342 165049502 /nfs/dbraw/zinc/04/95/02/165049502.db2.gz CBWUWNYZMCGAQH-QGZVFWFLSA-N 0 0 346.387 3.294 10 5 EGBERN COC(=O)CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352021024 165194997 /nfs/dbraw/zinc/19/49/97/165194997.db2.gz LQHWEHWZCYRTSO-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000355022455 166087740 /nfs/dbraw/zinc/08/77/40/166087740.db2.gz MPHPQHBKJOXPKY-GJZGRUSLSA-N 0 0 332.400 3.161 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1csc(Br)c1 ZINC000353718138 165870661 /nfs/dbraw/zinc/87/06/61/165870661.db2.gz CKDUXDATIPGVHR-UHFFFAOYSA-N 0 0 349.593 3.282 10 5 EGBERN CO[C@H](C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000353909051 165919942 /nfs/dbraw/zinc/91/99/42/165919942.db2.gz XIOMATMDUGLZTH-LLVKDONJSA-N 0 0 328.796 3.063 10 5 EGBERN COc1cc(CN(CC(F)F)CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000355134077 166115188 /nfs/dbraw/zinc/11/51/88/166115188.db2.gz MORRAHLTPBODHH-UHFFFAOYSA-N 0 0 344.358 3.479 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355216582 166137070 /nfs/dbraw/zinc/13/70/70/166137070.db2.gz BCKBGQWCOTWCFX-YVEFUNNKSA-N 0 0 345.399 3.137 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC(C)(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000355457580 166206232 /nfs/dbraw/zinc/20/62/32/166206232.db2.gz RGFZBSYQGCXCRU-UHFFFAOYSA-N 0 0 346.383 3.034 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000355944982 166355761 /nfs/dbraw/zinc/35/57/61/166355761.db2.gz RLHLJUYCJVJGQJ-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000356463102 166423098 /nfs/dbraw/zinc/42/30/98/166423098.db2.gz XVXDSRJPGKBJIK-CYBMUJFWSA-N 0 0 348.424 3.353 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000356891497 166527699 /nfs/dbraw/zinc/52/76/99/166527699.db2.gz KFMAVARDYSLATF-SECBINFHSA-N 0 0 331.275 3.085 10 5 EGBERN CCc1cc2nncn2c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000357096647 166583598 /nfs/dbraw/zinc/58/35/98/166583598.db2.gz NHHAWZHKTUSMLC-SNVBAGLBSA-N 0 0 329.385 3.448 10 5 EGBERN Cc1ccncc1CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357843077 166789643 /nfs/dbraw/zinc/78/96/43/166789643.db2.gz BVUPKTCMMJVXAR-UHFFFAOYSA-N 0 0 331.397 3.049 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000358710642 166940285 /nfs/dbraw/zinc/94/02/85/166940285.db2.gz BGZQLGMMSGDATJ-GFCCVEGCSA-N 0 0 343.383 3.442 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)n1 ZINC000359008830 167036606 /nfs/dbraw/zinc/03/66/06/167036606.db2.gz ZXGMYOHSYZVDIX-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000359076909 167059953 /nfs/dbraw/zinc/05/99/53/167059953.db2.gz MYOIERYDUAWTRO-ZDUSSCGKSA-N 0 0 327.340 3.054 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000359146318 167080823 /nfs/dbraw/zinc/08/08/23/167080823.db2.gz YJONRGMWJAKPOZ-CYBMUJFWSA-N 0 0 344.415 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359206354 167095330 /nfs/dbraw/zinc/09/53/30/167095330.db2.gz YBHWCNFRBUTHOS-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN COc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000359293436 167117776 /nfs/dbraw/zinc/11/77/76/167117776.db2.gz FIVHKCBJWFDCDW-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CCC(=O)c1ccc(NCCNC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000359437219 167156850 /nfs/dbraw/zinc/15/68/50/167156850.db2.gz JXSSNLXDFGGTHX-UHFFFAOYSA-N 0 0 341.367 3.029 10 5 EGBERN COc1cc(Nc2ccc(OCCO)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000360185067 167266753 /nfs/dbraw/zinc/26/67/53/167266753.db2.gz PNDQRQPLBVQMPE-UHFFFAOYSA-N 0 0 348.355 3.035 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000360392069 167318876 /nfs/dbraw/zinc/31/88/76/167318876.db2.gz FGRITOBBCIAQOV-KBPBESRZSA-N 0 0 345.330 3.420 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1OC ZINC000360650587 167379404 /nfs/dbraw/zinc/37/94/04/167379404.db2.gz YSUMHGUGEOZPSY-OLZOCXBDSA-N 0 0 326.418 3.288 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCc3cc(F)c(F)cc32)c2c(c1)COCO2 ZINC000360662286 167382780 /nfs/dbraw/zinc/38/27/80/167382780.db2.gz XOPLLIBNNYKFIR-UHFFFAOYSA-N 0 0 348.305 3.302 10 5 EGBERN Cn1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000360684391 167386881 /nfs/dbraw/zinc/38/68/81/167386881.db2.gz DJMKYSASIPJJSQ-AWEZNQCLSA-N 0 0 331.376 3.237 10 5 EGBERN CN(Cc1cccs1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361019910 167486021 /nfs/dbraw/zinc/48/60/21/167486021.db2.gz FEOGJLDABMGYER-UHFFFAOYSA-N 0 0 326.324 3.136 10 5 EGBERN COC(=O)c1cc(NCc2cn3ccsc3n2)cc(C)c1[N+](=O)[O-] ZINC000362555341 167795991 /nfs/dbraw/zinc/79/59/91/167795991.db2.gz IGXXJJKSDJHQJA-UHFFFAOYSA-N 0 0 346.368 3.011 10 5 EGBERN C[C@H](NC(=O)c1ccoc1Br)c1ccccc1[N+](=O)[O-] ZINC000362721583 167828776 /nfs/dbraw/zinc/82/87/76/167828776.db2.gz BOKVDRQGGSDIJJ-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN CCOc1cccc(N2CC[C@@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000364855214 167992422 /nfs/dbraw/zinc/99/24/22/167992422.db2.gz LYIFNGCSEFTLOA-HNNXBMFYSA-N 0 0 327.384 3.458 10 5 EGBERN CCOc1ccc(C(=O)N2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000365790610 168043592 /nfs/dbraw/zinc/04/35/92/168043592.db2.gz JOEDATBVQCJIOV-UHFFFAOYSA-N 0 0 348.399 3.169 10 5 EGBERN CN(c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000366009748 168071936 /nfs/dbraw/zinc/07/19/36/168071936.db2.gz LVIDRXCLVAHOFT-UHFFFAOYSA-N 0 0 347.806 3.143 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000367562410 168242533 /nfs/dbraw/zinc/24/25/33/168242533.db2.gz HRPFLYQDJMCRSG-LPHOPBHVSA-N 0 0 340.379 3.031 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])s1 ZINC000367940759 168287012 /nfs/dbraw/zinc/28/70/12/168287012.db2.gz DSPMBRLNJASCCF-OLZOCXBDSA-N 0 0 332.381 3.306 10 5 EGBERN CS[C@@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000123224398 222237777 /nfs/dbraw/zinc/23/77/77/222237777.db2.gz MVPRJEYLOOSPAI-GFCCVEGCSA-N 0 0 333.413 3.434 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000124032618 222367551 /nfs/dbraw/zinc/36/75/51/222367551.db2.gz JNQZCUQIHKBXOV-CQSZACIVSA-N 0 0 329.356 3.078 10 5 EGBERN CCNc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000159865194 264864804 /nfs/dbraw/zinc/86/48/04/264864804.db2.gz RQTXSEIXKUOCKK-UHFFFAOYSA-N 0 0 341.371 3.255 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176684199 265197425 /nfs/dbraw/zinc/19/74/25/265197425.db2.gz FCMHTXSJOOGSGY-SJORKVTESA-N 0 0 349.431 3.286 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176813424 265207183 /nfs/dbraw/zinc/20/71/83/265207183.db2.gz NQSDLHGURXMZLS-CYBMUJFWSA-N 0 0 327.384 3.189 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000176884104 265211759 /nfs/dbraw/zinc/21/17/59/265211759.db2.gz STNVCYWCBQFWBB-CYBMUJFWSA-N 0 0 330.388 3.021 10 5 EGBERN Cc1cccc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000178643091 265333596 /nfs/dbraw/zinc/33/35/96/265333596.db2.gz OQVUZUCHVKSEPY-UHFFFAOYSA-N 0 0 334.397 3.178 10 5 EGBERN CCOC(=O)c1cc(NCCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000178840353 265345850 /nfs/dbraw/zinc/34/58/50/265345850.db2.gz RBRWDPJISQLANR-UHFFFAOYSA-N 0 0 329.356 3.211 10 5 EGBERN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc(C)c1O ZINC000188736785 265705099 /nfs/dbraw/zinc/70/50/99/265705099.db2.gz PYFXQKSGQWFASL-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000191489238 265907930 /nfs/dbraw/zinc/90/79/30/265907930.db2.gz BHHHGPVNOAZHAE-GFCCVEGCSA-N 0 0 336.779 3.346 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000194147991 266094043 /nfs/dbraw/zinc/09/40/43/266094043.db2.gz ADEYQQFCQMTGHP-HIFRSBDPSA-N 0 0 346.431 3.219 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000194165785 266094752 /nfs/dbraw/zinc/09/47/52/266094752.db2.gz DPCXAYZJMGLQQG-ZIAGYGMSSA-N 0 0 330.315 3.028 10 5 EGBERN CCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2o1 ZINC000194255788 266102537 /nfs/dbraw/zinc/10/25/37/266102537.db2.gz DMJDJPRVRGRGGE-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1 ZINC000195518847 266186433 /nfs/dbraw/zinc/18/64/33/266186433.db2.gz OOTOBADYSVRGIL-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CCN(CCc1nccs1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269986349 266395657 /nfs/dbraw/zinc/39/56/57/266395657.db2.gz JTTXEDDFXXPXTR-UHFFFAOYSA-N 0 0 347.440 3.420 10 5 EGBERN C[C@H](c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000273930138 267144616 /nfs/dbraw/zinc/14/46/16/267144616.db2.gz IMOLLFGLZOCPIH-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274172611 267193110 /nfs/dbraw/zinc/19/31/10/267193110.db2.gz ISTHEKWOHVPGIW-CJNGLKHVSA-N 0 0 342.399 3.018 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000274365174 267224294 /nfs/dbraw/zinc/22/42/94/267224294.db2.gz JKNODNIICOMIRR-APHBMKBZSA-N 0 0 349.431 3.094 10 5 EGBERN Cc1cccc(NCc2cccc(CS(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000275382648 267351802 /nfs/dbraw/zinc/35/18/02/267351802.db2.gz BLOPVEUQDGUWNS-UHFFFAOYSA-N 0 0 334.397 3.060 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000275737517 267417731 /nfs/dbraw/zinc/41/77/31/267417731.db2.gz BMWSSTWGAPMKPZ-CYBMUJFWSA-N 0 0 340.807 3.444 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275764842 267420684 /nfs/dbraw/zinc/42/06/84/267420684.db2.gz VGCDAXKVATVNJF-MLGOLLRUSA-N 0 0 346.358 3.169 10 5 EGBERN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342286238 274245390 /nfs/dbraw/zinc/24/53/90/274245390.db2.gz VQWYDZYNMIXIFO-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2cnccc2c1 ZINC000347898373 274626846 /nfs/dbraw/zinc/62/68/46/274626846.db2.gz QRXQFWIMYRLCIY-NSHDSACASA-N 0 0 334.335 3.129 10 5 EGBERN Cc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nn1-c1ccccc1 ZINC000119973337 274679066 /nfs/dbraw/zinc/67/90/66/274679066.db2.gz VRDSBZPEZRONPA-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1N1CCCC1 ZINC000020897837 275032931 /nfs/dbraw/zinc/03/29/31/275032931.db2.gz WKUNPHPEOVDBJQ-UHFFFAOYSA-N 0 0 337.339 3.307 10 5 EGBERN CCOCCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009824778 275119064 /nfs/dbraw/zinc/11/90/64/275119064.db2.gz YHIYUBLFQVEURU-UHFFFAOYSA-N 0 0 330.340 3.262 10 5 EGBERN COc1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000042180600 275125697 /nfs/dbraw/zinc/12/56/97/275125697.db2.gz BBDOSHGZWGEVSJ-UHFFFAOYSA-N 0 0 331.324 3.182 10 5 EGBERN CCOc1ccccc1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147082 275135962 /nfs/dbraw/zinc/13/59/62/275135962.db2.gz QEWQNFHOJZLLJQ-UHFFFAOYSA-N 0 0 328.368 3.243 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110566115 275181088 /nfs/dbraw/zinc/18/10/88/275181088.db2.gz DWEXELJLIBFWMZ-ORAYPTAESA-N 0 0 340.379 3.413 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000110567545 275181147 /nfs/dbraw/zinc/18/11/47/275181147.db2.gz SYZDAIKJYDZWAP-APPDUMDISA-N 0 0 326.352 3.267 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176427682 275200148 /nfs/dbraw/zinc/20/01/48/275200148.db2.gz DQYGCKAKVHZQMO-SNVBAGLBSA-N 0 0 328.796 3.410 10 5 EGBERN O=C(NCCOCc1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1 ZINC000178823248 275202214 /nfs/dbraw/zinc/20/22/14/275202214.db2.gz FKMZGEIJRHYWAD-UHFFFAOYSA-N 0 0 340.788 3.256 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC000274298817 275247287 /nfs/dbraw/zinc/24/72/87/275247287.db2.gz POGSLYCNRHOEGD-UHFFFAOYSA-N 0 0 338.314 3.309 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000278900661 275285941 /nfs/dbraw/zinc/28/59/41/275285941.db2.gz UXOKIYHUQPJZRO-UHFFFAOYSA-N 0 0 347.415 3.276 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(OC)ccc21 ZINC000279195462 275311542 /nfs/dbraw/zinc/31/15/42/275311542.db2.gz ADVZTJYSXRRRHW-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000281911963 275587860 /nfs/dbraw/zinc/58/78/60/275587860.db2.gz PWARTBWFWRTHIG-AXAPSJFSSA-N 0 0 338.379 3.262 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCSC(C)(C)C1 ZINC000282989184 275689387 /nfs/dbraw/zinc/68/93/87/275689387.db2.gz FYUMDCDTFZBMCA-UHFFFAOYSA-N 0 0 347.444 3.205 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000286229486 275967167 /nfs/dbraw/zinc/96/71/67/275967167.db2.gz LRIBGZYYRFSGKD-VTXSZYRJSA-N 0 0 345.399 3.100 10 5 EGBERN COCCc1ccc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000286737270 276038483 /nfs/dbraw/zinc/03/84/83/276038483.db2.gz DZTPSEATUANDTK-UHFFFAOYSA-N 0 0 346.339 3.066 10 5 EGBERN CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000287909311 276168525 /nfs/dbraw/zinc/16/85/25/276168525.db2.gz VVXAYYRSHHHCLM-OAHLLOKOSA-N 0 0 326.780 3.023 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2ncc[nH]2)CC1 ZINC000289652627 276372685 /nfs/dbraw/zinc/37/26/85/276372685.db2.gz LTFRXTJZTOJLOE-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC000290973343 276567934 /nfs/dbraw/zinc/56/79/34/276567934.db2.gz IZDBMRWLSPCYJC-VXGBXAGGSA-N 0 0 347.444 3.203 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000341281671 277698567 /nfs/dbraw/zinc/69/85/67/277698567.db2.gz HZXSGKOKDNHPOX-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CC[C@H](NC(=O)Nc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000152654803 288007461 /nfs/dbraw/zinc/00/74/61/288007461.db2.gz OWADDUYCNFDYGX-AWEZNQCLSA-N 0 0 343.387 3.329 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000133552556 288032119 /nfs/dbraw/zinc/03/21/19/288032119.db2.gz HKSFWUVKEXLDBM-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(N(C)C)n1 ZINC000357388805 278692935 /nfs/dbraw/zinc/69/29/35/278692935.db2.gz XZTRNXXPLIMTPM-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCOc2ccccc21 ZINC000103374954 280023490 /nfs/dbraw/zinc/02/34/90/280023490.db2.gz BNYHSZZRVKDJOD-LRDDRELGSA-N 0 0 338.363 3.439 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-n2cccn2)cc1 ZINC000103377065 280023793 /nfs/dbraw/zinc/02/37/93/280023793.db2.gz OVTZUGMISVGDPO-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000338490045 281429148 /nfs/dbraw/zinc/42/91/48/281429148.db2.gz BPXPSWWMZHHJLM-VIFPVBQESA-N 0 0 334.319 3.237 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000408110658 297076518 /nfs/dbraw/zinc/07/65/18/297076518.db2.gz TUFZUYRZIPZFKL-ZPWHCFADSA-N 0 0 337.228 3.106 10 5 EGBERN COc1ccc2c(c1)OCCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000338484941 295267665 /nfs/dbraw/zinc/26/76/65/295267665.db2.gz PFBYRGOSTNXCLM-UHFFFAOYSA-N 0 0 329.356 3.014 10 5 EGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000363876191 303505229 /nfs/dbraw/zinc/50/52/29/303505229.db2.gz PGKWRWFTUPNGCM-OAHLLOKOSA-N 0 0 344.346 3.079 10 5 EGBERN C[C@@H]1CC(C)(C)CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000413555199 309037218 /nfs/dbraw/zinc/03/72/18/309037218.db2.gz CTORPXOTMFHWTJ-CQSZACIVSA-N 0 0 333.432 3.052 10 5 EGBERN CSc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056945044 307345162 /nfs/dbraw/zinc/34/51/62/307345162.db2.gz PRARLBDJBDVPRF-UHFFFAOYSA-N 0 0 331.397 3.316 10 5 EGBERN CCOC(=O)[C@H](CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000060320186 307350940 /nfs/dbraw/zinc/35/09/40/307350940.db2.gz BVGLBOKEZOAYTM-HNNXBMFYSA-N 0 0 328.368 3.429 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000064242832 307356689 /nfs/dbraw/zinc/35/66/89/307356689.db2.gz PIPUBQWVBNHWNN-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001315 307360972 /nfs/dbraw/zinc/36/09/72/307360972.db2.gz HDDDOUIPBCQLKK-UHFFFAOYSA-N 0 0 326.399 3.098 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000066327355 307361881 /nfs/dbraw/zinc/36/18/81/307361881.db2.gz RZIQTCHBWYHUCB-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCCO1 ZINC000072610702 307380473 /nfs/dbraw/zinc/38/04/73/307380473.db2.gz PSAQJFVFNWWOIV-MRXNPFEDSA-N 0 0 349.431 3.123 10 5 EGBERN CCOc1c(F)cccc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000074234806 307391734 /nfs/dbraw/zinc/39/17/34/307391734.db2.gz DMUDHSICXQQAAN-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000075130667 307398176 /nfs/dbraw/zinc/39/81/76/307398176.db2.gz VWXYUZPPDFXSJC-OAHLLOKOSA-N 0 0 328.796 3.165 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000075287844 307398731 /nfs/dbraw/zinc/39/87/31/307398731.db2.gz KVJGQIAZDXEGIO-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1ccc(C(=O)OC)cc1 ZINC000080543864 307434097 /nfs/dbraw/zinc/43/40/97/307434097.db2.gz GCQWDXYSRMFMKG-UHFFFAOYSA-N 0 0 344.367 3.182 10 5 EGBERN CCCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000120425901 307506624 /nfs/dbraw/zinc/50/66/24/307506624.db2.gz HHHRSDYKCDBAHM-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)O1 ZINC000413999567 309055989 /nfs/dbraw/zinc/05/59/89/309055989.db2.gz XAPUFFWWHDJXGR-BBBLOLIVSA-N 0 0 346.305 3.157 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000124809450 307551484 /nfs/dbraw/zinc/55/14/84/307551484.db2.gz AZDGIALTSOBKHC-UHFFFAOYSA-N 0 0 349.387 3.230 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000127745694 307589575 /nfs/dbraw/zinc/58/95/75/307589575.db2.gz HVPQRJVJVBLLFS-JTQLQIEISA-N 0 0 336.779 3.123 10 5 EGBERN COc1ccc(C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000135365120 307701428 /nfs/dbraw/zinc/70/14/28/307701428.db2.gz FHLSIRKBTNWBJS-UHFFFAOYSA-N 0 0 335.287 3.013 10 5 EGBERN Cc1ccn(-c2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000151958582 307742599 /nfs/dbraw/zinc/74/25/99/307742599.db2.gz JJHPPGPPIXRBPB-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000152084806 307745300 /nfs/dbraw/zinc/74/53/00/307745300.db2.gz MVTAPGZLCLULNJ-ZBFHGGJFSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160146414 307885256 /nfs/dbraw/zinc/88/52/56/307885256.db2.gz UTOMDFJKJPYZAE-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000160506931 307890827 /nfs/dbraw/zinc/89/08/27/307890827.db2.gz KRAYOPQYVLPELC-CQSZACIVSA-N 0 0 342.395 3.323 10 5 EGBERN COc1ccc2c(c1)CCN2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170640053 307932828 /nfs/dbraw/zinc/93/28/28/307932828.db2.gz KNYHRYMYELAZFT-UHFFFAOYSA-N 0 0 339.351 3.182 10 5 EGBERN COC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000170749940 307935223 /nfs/dbraw/zinc/93/52/23/307935223.db2.gz CZWQPKFFGRHURK-OAHLLOKOSA-N 0 0 329.356 3.412 10 5 EGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C ZINC000249148934 308020309 /nfs/dbraw/zinc/02/03/09/308020309.db2.gz GWNDBJGIXHEQOP-QMTHXVAHSA-N 0 0 330.331 3.053 10 5 EGBERN COC(=O)c1cc(NCCc2scnc2C)cc(C)c1[N+](=O)[O-] ZINC000294899285 308269400 /nfs/dbraw/zinc/26/94/00/308269400.db2.gz DPOWZLPBSVLHEC-UHFFFAOYSA-N 0 0 335.385 3.109 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](C)(F)C1 ZINC000295216969 308303938 /nfs/dbraw/zinc/30/39/38/308303938.db2.gz BFXJCDUBMMIEJT-XHDPSFHLSA-N 0 0 326.393 3.426 10 5 EGBERN C[C@]12CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000295342782 308316526 /nfs/dbraw/zinc/31/65/26/308316526.db2.gz NPFYBKHXNGDFPV-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@](C)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295464141 308329351 /nfs/dbraw/zinc/32/93/51/308329351.db2.gz HIUIXVUNWHTELB-MRXNPFEDSA-N 0 0 326.343 3.362 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000295578008 308340142 /nfs/dbraw/zinc/34/01/42/308340142.db2.gz MYJJLDWEKFKJBA-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN CCOC(=O)c1sc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)nc1C ZINC000301597621 308706663 /nfs/dbraw/zinc/70/66/63/308706663.db2.gz GWZOONXCJYYCDH-VIFPVBQESA-N 0 0 336.373 3.105 10 5 EGBERN C[C@@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301784318 308715174 /nfs/dbraw/zinc/71/51/74/308715174.db2.gz KHSLZQMVGNNKOY-VXGBXAGGSA-N 0 0 326.418 3.237 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302070206 308728028 /nfs/dbraw/zinc/72/80/28/308728028.db2.gz XYLHLIUVAHFRFX-APPDUMDISA-N 0 0 349.387 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H](O)c1cc2ccccc2s1 ZINC000302075155 308728147 /nfs/dbraw/zinc/72/81/47/308728147.db2.gz XPUIRRSISMPVKN-OAHLLOKOSA-N 0 0 344.392 3.447 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000302144090 308730697 /nfs/dbraw/zinc/73/06/97/308730697.db2.gz GFXBFUZSZJCFMA-BBRMVZONSA-N 0 0 336.388 3.245 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@H]2CCCC[C@H]12 ZINC000302191320 308732708 /nfs/dbraw/zinc/73/27/08/308732708.db2.gz QZRVZNAGKNTGLL-BNOWGMLFSA-N 0 0 338.429 3.013 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3c2cccc3OC)c1 ZINC000302198269 308732995 /nfs/dbraw/zinc/73/29/95/308732995.db2.gz UCWSIEBJWDIGCI-AWEZNQCLSA-N 0 0 342.351 3.489 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCCCc3nnc4ccccn43)ccc2c1 ZINC000302637721 308740954 /nfs/dbraw/zinc/74/09/54/308740954.db2.gz HSCOEQQSYIICPQ-UHFFFAOYSA-N 0 0 348.366 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(=O)NC1CCCCC1 ZINC000302703420 308742580 /nfs/dbraw/zinc/74/25/80/308742580.db2.gz VLQVAAIXVLXIOF-UHFFFAOYSA-N 0 0 325.796 3.417 10 5 EGBERN Cc1ccc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1F ZINC000302721910 308743061 /nfs/dbraw/zinc/74/30/61/308743061.db2.gz MNMLRXHFRUUIML-UHFFFAOYSA-N 0 0 342.330 3.328 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCCCS(=O)(=O)c1ccccc1 ZINC000302793788 308746042 /nfs/dbraw/zinc/74/60/42/308746042.db2.gz HPLYZXBIGUIJTE-UHFFFAOYSA-N 0 0 338.360 3.010 10 5 EGBERN COc1cc2c(cc1F)ncnc2Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000302850110 308748038 /nfs/dbraw/zinc/74/80/38/308748038.db2.gz PMHNEHXIZKHZBC-UHFFFAOYSA-N 0 0 345.286 3.487 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ncnc2c(F)cccc12 ZINC000302901801 308750110 /nfs/dbraw/zinc/75/01/10/308750110.db2.gz QUAISNVUOOOQRH-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000410701028 308920218 /nfs/dbraw/zinc/92/02/18/308920218.db2.gz AKZWBFLRMONJGU-QMMMGPOBSA-N 0 0 341.289 3.400 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(c1nc(C2CCOCC2)no1)C1CC1 ZINC000413199264 309020950 /nfs/dbraw/zinc/02/09/50/309020950.db2.gz JCEBUGAOMOJSGQ-UHFFFAOYSA-N 0 0 344.371 3.041 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413222151 309022305 /nfs/dbraw/zinc/02/23/05/309022305.db2.gz KCXZCUPUPQWCPX-CVEARBPZSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000413291460 309025404 /nfs/dbraw/zinc/02/54/04/309025404.db2.gz MANKNXXMJNFNNH-ZDUSSCGKSA-N 0 0 331.294 3.016 10 5 EGBERN COC(=O)c1cc(N[C@H]2C[C@@H](OC)C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000413437037 309032042 /nfs/dbraw/zinc/03/20/42/309032042.db2.gz HFABISUSGMBUPR-UONOGXRCSA-N 0 0 334.372 3.059 10 5 EGBERN Cc1cc(N2CCO[C@@H](C3CCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000413469875 309033315 /nfs/dbraw/zinc/03/33/15/309033315.db2.gz BTWPXIVTFRWJCW-QGZVFWFLSA-N 0 0 327.384 3.457 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000415293967 309130150 /nfs/dbraw/zinc/13/01/50/309130150.db2.gz JWUBIAUZVQHZQD-JTQLQIEISA-N 0 0 331.397 3.339 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000415323254 309131043 /nfs/dbraw/zinc/13/10/43/309131043.db2.gz ZKJQABOSYWLZDW-LSDHHAIUSA-N 0 0 338.367 3.313 10 5 EGBERN C[C@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000420595490 309289583 /nfs/dbraw/zinc/28/95/83/309289583.db2.gz GBZDIWQWMZJOFG-PSVSLLHZSA-N 0 0 341.367 3.059 10 5 EGBERN C[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000421114807 309313974 /nfs/dbraw/zinc/31/39/74/309313974.db2.gz UPSRIVYRNHRJMZ-OLZOCXBDSA-N 0 0 349.431 3.375 10 5 EGBERN Cc1cc(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)n(C)n1 ZINC000421454304 309325246 /nfs/dbraw/zinc/32/52/46/309325246.db2.gz DZZWRQJTZFWTND-UHFFFAOYSA-N 0 0 342.399 3.155 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000421509509 309327734 /nfs/dbraw/zinc/32/77/34/309327734.db2.gz RUMASZHQPYGLOS-IJLUTSLNSA-N 0 0 332.356 3.065 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC12CCSCC2 ZINC000421584421 309330857 /nfs/dbraw/zinc/33/08/57/309330857.db2.gz BHIRBPHLOWKPKA-ZDUSSCGKSA-N 0 0 349.456 3.046 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000421664134 309333541 /nfs/dbraw/zinc/33/35/41/309333541.db2.gz ASEFZIZGWFVJFW-YPMHNXCESA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421672632 309334027 /nfs/dbraw/zinc/33/40/27/309334027.db2.gz VBORJTAFBYIOOB-QWRGUYRKSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](CC)O1 ZINC000421966052 309348462 /nfs/dbraw/zinc/34/84/62/309348462.db2.gz ZAGTUKSOSDFBCD-BETUJISGSA-N 0 0 331.372 3.106 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000422241954 309359023 /nfs/dbraw/zinc/35/90/23/309359023.db2.gz SSCPMAKKDQCSDC-GOEBONIOSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)C2CCC(F)(F)CC2)c1 ZINC000424878872 309458496 /nfs/dbraw/zinc/45/84/96/309458496.db2.gz MPJUOZSEKBLQRR-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000425029378 309462744 /nfs/dbraw/zinc/46/27/44/309462744.db2.gz IKEYALROKURWMQ-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](F)C1 ZINC000425472596 309481969 /nfs/dbraw/zinc/48/19/69/309481969.db2.gz JQBFPKMJFFOHEV-NEPJUHHUSA-N 0 0 332.335 3.247 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000426268767 309503120 /nfs/dbraw/zinc/50/31/20/309503120.db2.gz UFUQBQLJZCGJHF-CLLJXQQHSA-N 0 0 343.305 3.211 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ncc(C)o3)c2)n1 ZINC000427463646 309529597 /nfs/dbraw/zinc/52/95/97/309529597.db2.gz SYUOVAQKGYRWBQ-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428084371 309541936 /nfs/dbraw/zinc/54/19/36/309541936.db2.gz NTBQKCSISCNGRC-IWIIMEHWSA-N 0 0 339.189 3.194 10 5 EGBERN CC1(C)CC(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000428168511 309543660 /nfs/dbraw/zinc/54/36/60/309543660.db2.gz BCXANBXTVVDNNJ-UHFFFAOYSA-N 0 0 331.416 3.070 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000428286528 309546647 /nfs/dbraw/zinc/54/66/47/309546647.db2.gz MFACCPJQJLMDHC-UHFFFAOYSA-N 0 0 326.299 3.212 10 5 EGBERN COC(=O)c1cc(NC(=O)CC2CC(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000428309832 309547354 /nfs/dbraw/zinc/54/73/54/309547354.db2.gz FEZRVSAAFQRCEI-UHFFFAOYSA-N 0 0 334.372 3.455 10 5 EGBERN CC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430213823 309601818 /nfs/dbraw/zinc/60/18/18/309601818.db2.gz CXJYVYVCVPTKLJ-KRWDZBQOSA-N 0 0 330.384 3.381 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000430413606 309607620 /nfs/dbraw/zinc/60/76/20/309607620.db2.gz HQTNNKPLDUZJOQ-MRXNPFEDSA-N 0 0 344.342 3.225 10 5 EGBERN Cc1cc(NC(=O)N2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000455079079 310343645 /nfs/dbraw/zinc/34/36/45/310343645.db2.gz BROXTUBGCUTPHN-HNNXBMFYSA-N 0 0 333.388 3.326 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000432312604 309656930 /nfs/dbraw/zinc/65/69/30/309656930.db2.gz OWGWZBKRGFDAJV-CYBMUJFWSA-N 0 0 338.429 3.165 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432324982 309657399 /nfs/dbraw/zinc/65/73/99/309657399.db2.gz IYSGZIHGPBAJHA-SNVBAGLBSA-N 0 0 344.820 3.201 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000434038274 309703170 /nfs/dbraw/zinc/70/31/70/309703170.db2.gz WRANESQKHSPDOR-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN Cc1cc(NC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455080396 310343595 /nfs/dbraw/zinc/34/35/95/310343595.db2.gz FOQKSBAJACMOJC-BBRMVZONSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000436389506 309754388 /nfs/dbraw/zinc/75/43/88/309754388.db2.gz OTKYYOOKWZNOJG-DOTOQJQBSA-N 0 0 348.362 3.243 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438144105 309807927 /nfs/dbraw/zinc/80/79/27/309807927.db2.gz WNTYSWAFZPCTND-VGTOOOLASA-N 0 0 344.342 3.417 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c2ccncc21 ZINC000439084833 309826101 /nfs/dbraw/zinc/82/61/01/309826101.db2.gz HOZBDNKZNGIZSU-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000439894979 309841784 /nfs/dbraw/zinc/84/17/84/309841784.db2.gz DSDZHPXILXINAU-SDDRHHMPSA-N 0 0 337.376 3.023 10 5 EGBERN COc1cc(CC2CN(c3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000443953793 309910480 /nfs/dbraw/zinc/91/04/80/309910480.db2.gz XISFRKIJDRQJNE-UHFFFAOYSA-N 0 0 328.368 3.291 10 5 EGBERN CCc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)oc1CC ZINC000444645918 309923986 /nfs/dbraw/zinc/92/39/86/309923986.db2.gz QZOQOGTXVSZZSX-UHFFFAOYSA-N 0 0 342.355 3.119 10 5 EGBERN CC1(C)CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445128968 309936528 /nfs/dbraw/zinc/93/65/28/309936528.db2.gz BMHKHGPYMANPOM-UHFFFAOYSA-N 0 0 345.403 3.239 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000445574917 309943719 /nfs/dbraw/zinc/94/37/19/309943719.db2.gz BNKVRMNLQAHHKR-WDEREUQCSA-N 0 0 345.746 3.303 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cccc(O)c1 ZINC000446226732 309958525 /nfs/dbraw/zinc/95/85/25/309958525.db2.gz NKVPZBWRMZNUPN-UHFFFAOYSA-N 0 0 334.759 3.235 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000446344283 309960754 /nfs/dbraw/zinc/96/07/54/309960754.db2.gz ZKEKYMHUACYNQO-GFCCVEGCSA-N 0 0 346.770 3.159 10 5 EGBERN CCOc1cc(C)ccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447694386 309985782 /nfs/dbraw/zinc/98/57/82/309985782.db2.gz QXXSFWQCQWHMCZ-UHFFFAOYSA-N 0 0 326.356 3.212 10 5 EGBERN CN(C[C@H]1OCCc2ccccc21)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447692532 309985790 /nfs/dbraw/zinc/98/57/90/309985790.db2.gz GDPRVTPNGNYAQL-QGZVFWFLSA-N 0 0 338.367 3.221 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN(CC(F)(F)F)C1 ZINC000449671007 310079441 /nfs/dbraw/zinc/07/94/41/310079441.db2.gz YPVUOHJAZOBOAY-LLVKDONJSA-N 0 0 349.328 3.050 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000449996604 310098051 /nfs/dbraw/zinc/09/80/51/310098051.db2.gz AVBVGACZEVUQRU-NQBHXWOUSA-N 0 0 346.330 3.367 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000450315984 310114943 /nfs/dbraw/zinc/11/49/43/310114943.db2.gz YBQPTWGAHFKEKC-CHWSQXEVSA-N 0 0 328.290 3.284 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000450393371 310119882 /nfs/dbraw/zinc/11/98/82/310119882.db2.gz QVXCYDSFWKKZOW-CABCVRRESA-N 0 0 327.384 3.396 10 5 EGBERN CCC1(CC)CN(c2nccc3c2cccc3[N+](=O)[O-])CC[S@]1=O ZINC000450447442 310123275 /nfs/dbraw/zinc/12/32/75/310123275.db2.gz VRKLURGWKLGRER-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450657109 310135575 /nfs/dbraw/zinc/13/55/75/310135575.db2.gz KVOKRKWITWLDJB-CXAGYDPISA-N 0 0 334.322 3.038 10 5 EGBERN COc1cc(OC)c(C[C@H](C)Nc2ccc([N+](=O)[O-])nc2)c(OC)c1 ZINC000450709101 310138727 /nfs/dbraw/zinc/13/87/27/310138727.db2.gz LCXUBMSPHWFHKW-NSHDSACASA-N 0 0 347.371 3.059 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cn(CC2CC2)nn1 ZINC000450918257 310149688 /nfs/dbraw/zinc/14/96/88/310149688.db2.gz VBWGNVXSGPJOKT-UHFFFAOYSA-N 0 0 342.277 3.194 10 5 EGBERN COC[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000450942335 310151112 /nfs/dbraw/zinc/15/11/12/310151112.db2.gz GWXOLKFLMDBXKL-SNVBAGLBSA-N 0 0 344.209 3.005 10 5 EGBERN C[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451089182 310159951 /nfs/dbraw/zinc/15/99/51/310159951.db2.gz RCYDJDVTPNWQAT-JQWIXIFHSA-N 0 0 348.371 3.011 10 5 EGBERN Cc1c(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271622 310169022 /nfs/dbraw/zinc/16/90/22/310169022.db2.gz VFQULMBQYVGANM-IEBWSBKVSA-N 0 0 344.386 3.203 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H](C2CC2)C1 ZINC000451782041 310197027 /nfs/dbraw/zinc/19/70/27/310197027.db2.gz AKIPNLQXKKMVHM-HNNXBMFYSA-N 0 0 340.383 3.043 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c(F)cccc21 ZINC000452187566 310217550 /nfs/dbraw/zinc/21/75/50/310217550.db2.gz ACSUMQGBZZZEDO-INIZCTEOSA-N 0 0 328.343 3.470 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CC[C@H]3C3CC3)cc2[N+](=O)[O-])CC1 ZINC000452495516 310230139 /nfs/dbraw/zinc/23/01/39/310230139.db2.gz DEBDLTNZWYOCCZ-INIZCTEOSA-N 0 0 343.427 3.456 10 5 EGBERN Cc1ncccc1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000452649290 310235740 /nfs/dbraw/zinc/23/57/40/310235740.db2.gz WLWKIIGVVCANHV-UHFFFAOYSA-N 0 0 326.356 3.149 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000452834583 310244476 /nfs/dbraw/zinc/24/44/76/310244476.db2.gz BMZSYXQGRBGNEC-WMLDXEAASA-N 0 0 339.395 3.500 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CC[C@H]3CCCO3)n2)c2c1NCCC2 ZINC000453227588 310265234 /nfs/dbraw/zinc/26/52/34/310265234.db2.gz BDWXABCJBQKPNJ-LLVKDONJSA-N 0 0 344.371 3.115 10 5 EGBERN COC[C@@H](C)[C@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242112 310266274 /nfs/dbraw/zinc/26/62/74/310266274.db2.gz VIVVWLXUJNXHPH-MNOVXSKESA-N 0 0 346.387 3.389 10 5 EGBERN CCc1cccc(F)c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453577514 310282718 /nfs/dbraw/zinc/28/27/18/310282718.db2.gz OUBMAWSYEUPOIG-UHFFFAOYSA-N 0 0 344.390 3.014 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000454937498 310336558 /nfs/dbraw/zinc/33/65/58/310336558.db2.gz CSLIEZJKJDPLRW-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN C[C@@H](F)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455408338 310359341 /nfs/dbraw/zinc/35/93/41/310359341.db2.gz YPEHOFWZWULESZ-SSDOTTSWSA-N 0 0 334.145 3.227 10 5 EGBERN CC[C@@H](NC(=O)NCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000455435506 310360418 /nfs/dbraw/zinc/36/04/18/310360418.db2.gz IPSJWGQHOHFRMS-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](COC)CC1 ZINC000455462098 310361760 /nfs/dbraw/zinc/36/17/60/310361760.db2.gz KDQFUKAJXRBESS-ZDUSSCGKSA-N 0 0 335.404 3.438 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000456045744 310386345 /nfs/dbraw/zinc/38/63/45/310386345.db2.gz IOKRAYOFDXVHDF-UHFFFAOYSA-N 0 0 338.379 3.141 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000456114909 310389096 /nfs/dbraw/zinc/38/90/96/310389096.db2.gz QXVVZQOBPULYTQ-FRFSOERESA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)nc(C)n1 ZINC000456175792 310392002 /nfs/dbraw/zinc/39/20/02/310392002.db2.gz IEUOWCFTJNFVGN-UHFFFAOYSA-N 0 0 329.360 3.074 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOCC12CCCCC2 ZINC000456520849 310410152 /nfs/dbraw/zinc/41/01/52/310410152.db2.gz KMTCTZXUYJLBIG-UHFFFAOYSA-N 0 0 332.400 3.089 10 5 EGBERN CCCc1ncc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000456523173 310410182 /nfs/dbraw/zinc/41/01/82/310410182.db2.gz RSEPZLBABDCMIE-UHFFFAOYSA-N 0 0 331.372 3.129 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[C@@H]1CCOC1 ZINC000456764462 310421543 /nfs/dbraw/zinc/42/15/43/310421543.db2.gz MBSUFJQSOKSAEX-LLVKDONJSA-N 0 0 326.780 3.103 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456865963 310426576 /nfs/dbraw/zinc/42/65/76/310426576.db2.gz GVGBRGSSSADMNC-UWVGGRQHSA-N 0 0 328.290 3.390 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](OC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458498606 310506709 /nfs/dbraw/zinc/50/67/09/310506709.db2.gz JKDUDJKRFLYXFN-KCXAZCMYSA-N 0 0 335.404 3.112 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]1C1CC1 ZINC000458704536 310516776 /nfs/dbraw/zinc/51/67/76/310516776.db2.gz HWQKDGZRYVPSJB-ZDUSSCGKSA-N 0 0 343.305 3.308 10 5 EGBERN Cc1cc(Nc2cccc([C@@H]3CNC(=O)C3)c2)c(F)cc1[N+](=O)[O-] ZINC000461955288 310593988 /nfs/dbraw/zinc/59/39/88/310593988.db2.gz FRUNNWJASCAVNZ-LBPRGKRZSA-N 0 0 329.331 3.389 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000462484724 310600448 /nfs/dbraw/zinc/60/04/48/310600448.db2.gz BAOBDIPRMCXDIW-CABCVRRESA-N 0 0 338.429 3.150 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000463951348 310616589 /nfs/dbraw/zinc/61/65/89/310616589.db2.gz QGQYNQQAGMVWKF-HUUCEWRRSA-N 0 0 347.415 3.492 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)COCC(F)F ZINC000464705710 310623283 /nfs/dbraw/zinc/62/32/83/310623283.db2.gz BRGXXUXCMIXJPN-UHFFFAOYSA-N 0 0 330.331 3.404 10 5 EGBERN Cc1c(CNC(=O)N2CCc3cc(F)c(F)cc32)cccc1[N+](=O)[O-] ZINC000480060959 310888650 /nfs/dbraw/zinc/88/86/50/310888650.db2.gz WVLSZMRPGYVYJQ-UHFFFAOYSA-N 0 0 347.321 3.454 10 5 EGBERN CCc1ccc(C(=O)NC[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000481337871 310911041 /nfs/dbraw/zinc/91/10/41/310911041.db2.gz OMUVOYJHEZKBDJ-GOSISDBHSA-N 0 0 334.416 3.218 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481469067 310914573 /nfs/dbraw/zinc/91/45/73/310914573.db2.gz UXEKAWUVDGOFOD-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1C ZINC000486687745 310997005 /nfs/dbraw/zinc/99/70/05/310997005.db2.gz LCXAFDAKNFFHBL-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN CSc1cccc(C(=O)Nc2cccc(CCCO)c2)c1[N+](=O)[O-] ZINC000487060801 311009152 /nfs/dbraw/zinc/00/91/52/311009152.db2.gz KXLFWYYZHHJRSL-UHFFFAOYSA-N 0 0 346.408 3.494 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(OC)c2C)c1 ZINC000487128265 311011677 /nfs/dbraw/zinc/01/16/77/311011677.db2.gz DVOHUROKFTYPCJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000487215391 311016262 /nfs/dbraw/zinc/01/62/62/311016262.db2.gz BOUXYRYFRKJYCH-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN C[S@@](=O)Cc1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488072378 311050140 /nfs/dbraw/zinc/05/01/40/311050140.db2.gz FKZRMIAQZKUYHC-XMMPIXPASA-N 0 0 341.392 3.187 10 5 EGBERN CC(C)Oc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccn1 ZINC000488133383 311052946 /nfs/dbraw/zinc/05/29/46/311052946.db2.gz XRCWXFYPACGKPK-UHFFFAOYSA-N 0 0 338.367 3.359 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2cc(F)ccc2[nH]1 ZINC000488901309 311084281 /nfs/dbraw/zinc/08/42/81/311084281.db2.gz MGFPIXTYOLDCMH-UHFFFAOYSA-N 0 0 346.343 3.341 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000489264334 311097744 /nfs/dbraw/zinc/09/77/44/311097744.db2.gz MNJHFYXMQPFKLI-UHFFFAOYSA-N 0 0 332.400 3.468 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000489412342 311104692 /nfs/dbraw/zinc/10/46/92/311104692.db2.gz MJNBJLDJXSLTJA-UHFFFAOYSA-N 0 0 342.330 3.191 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H](OCC3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000489914679 311124938 /nfs/dbraw/zinc/12/49/38/311124938.db2.gz QNHSXTHUPARIOJ-HNNXBMFYSA-N 0 0 348.399 3.085 10 5 EGBERN COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)O2 ZINC000490097686 311133092 /nfs/dbraw/zinc/13/30/92/311133092.db2.gz ARJTYQIGGDXJHE-LBPRGKRZSA-N 0 0 344.367 3.400 10 5 EGBERN C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000490676013 311148662 /nfs/dbraw/zinc/14/86/62/311148662.db2.gz UJVCHJZDVTWNPS-GFCCVEGCSA-N 0 0 339.351 3.210 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCCC(F)(F)C1 ZINC000500291745 311923115 /nfs/dbraw/zinc/92/31/15/311923115.db2.gz KSUCSDITCILTHL-SSDOTTSWSA-N 0 0 336.136 3.164 10 5 EGBERN CC(C)(C(=O)NC[C@]1(O)CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000504553938 312007766 /nfs/dbraw/zinc/00/77/66/312007766.db2.gz RCISHHITXUOSRB-IBGZPJMESA-N 0 0 348.443 3.320 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000504862739 312011598 /nfs/dbraw/zinc/01/15/98/312011598.db2.gz WCQXKJFWIRITIB-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(O)c1 ZINC000506250942 312045679 /nfs/dbraw/zinc/04/56/79/312045679.db2.gz UHYAEOGBJUWQKC-UHFFFAOYSA-N 0 0 329.356 3.432 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000507467839 312073905 /nfs/dbraw/zinc/07/39/05/312073905.db2.gz MEHNDANLNCJVCX-NWDGAFQWSA-N 0 0 330.306 3.232 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2cc(C)c(C)cc21 ZINC000507633381 312079954 /nfs/dbraw/zinc/07/99/54/312079954.db2.gz DIULEONWEZAWPX-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN CC(C)Oc1ncccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508615735 312098105 /nfs/dbraw/zinc/09/81/05/312098105.db2.gz PXEAHNDERXTXGW-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000509501335 312118963 /nfs/dbraw/zinc/11/89/63/312118963.db2.gz PWAWUXORVFPOQZ-IBGZPJMESA-N 0 0 326.396 3.434 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)cc1 ZINC000509699950 312123791 /nfs/dbraw/zinc/12/37/91/312123791.db2.gz PXHLXTCMFKOYMR-GFCCVEGCSA-N 0 0 340.426 3.394 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000515610205 312291173 /nfs/dbraw/zinc/29/11/73/312291173.db2.gz CUCJQKDVHOXSRE-NWDGAFQWSA-N 0 0 330.306 3.403 10 5 EGBERN CC(C)(C)c1nnsc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000516892722 312348391 /nfs/dbraw/zinc/34/83/91/312348391.db2.gz ZXEJUHKMQHDQHK-UHFFFAOYSA-N 0 0 345.384 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000518441674 312417082 /nfs/dbraw/zinc/41/70/82/312417082.db2.gz NRDHEQTTZKHOFX-SJKOYZFVSA-N 0 0 346.408 3.115 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c(Cl)cccc1Cl ZINC000521763342 312558124 /nfs/dbraw/zinc/55/81/24/312558124.db2.gz NQRKGZNMWLNVRS-UHFFFAOYSA-N 0 0 341.154 3.008 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000523405011 312618390 /nfs/dbraw/zinc/61/83/90/312618390.db2.gz NXCNRQCVXXZTJV-AWEZNQCLSA-N 0 0 327.384 3.235 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cccc(Cl)c2O1 ZINC000530454261 313539245 /nfs/dbraw/zinc/53/92/45/313539245.db2.gz DWROSISZGYPZPU-SECBINFHSA-N 0 0 333.731 3.071 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000530461885 313540181 /nfs/dbraw/zinc/54/01/81/313540181.db2.gz IUCDLOICNIKPQJ-UHFFFAOYSA-N 0 0 340.445 3.350 10 5 EGBERN COc1ccc(OCCn2c3ccccc3sc2=O)c([N+](=O)[O-])c1 ZINC000531066541 313621808 /nfs/dbraw/zinc/62/18/08/313621808.db2.gz IXOMUWACINGCRY-UHFFFAOYSA-N 0 0 346.364 3.059 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000532144768 313760630 /nfs/dbraw/zinc/76/06/30/313760630.db2.gz VHQHGZYJYMZBDW-UHFFFAOYSA-N 0 0 329.400 3.421 10 5 EGBERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532391703 313793417 /nfs/dbraw/zinc/79/34/17/313793417.db2.gz COVSYBKDYHHQMN-UHFFFAOYSA-N 0 0 339.273 3.281 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOC(C)(C)C ZINC000535008036 314012511 /nfs/dbraw/zinc/01/25/11/314012511.db2.gz WJXPJPPYMOKSCF-UHFFFAOYSA-N 0 0 326.418 3.252 10 5 EGBERN Cc1ccccc1-c1cnc(Cn2cc([N+](=O)[O-])cc(C)c2=O)o1 ZINC000536021314 314088363 /nfs/dbraw/zinc/08/83/63/314088363.db2.gz FXYXYRANOWDVTJ-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000536154357 314096669 /nfs/dbraw/zinc/09/66/69/314096669.db2.gz FJVWRRCQXVLJEA-SJORKVTESA-N 0 0 331.416 3.405 10 5 EGBERN CCc1ccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000537137626 314163797 /nfs/dbraw/zinc/16/37/97/314163797.db2.gz ZJMIOMNAGKNOAZ-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN C[C@@H](NCC(=O)N(C)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538228293 314233311 /nfs/dbraw/zinc/23/33/11/314233311.db2.gz SGXATDVEFOUTMN-CQSZACIVSA-N 0 0 333.432 3.284 10 5 EGBERN COc1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000538658268 314261110 /nfs/dbraw/zinc/26/11/10/314261110.db2.gz QVJHAVXGYOORBO-UHFFFAOYSA-N 0 0 348.265 3.189 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2C2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000540709753 314398517 /nfs/dbraw/zinc/39/85/17/314398517.db2.gz SHAIJSJHEKOVGM-INIZCTEOSA-N 0 0 348.399 3.085 10 5 EGBERN O=C(c1cccc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540879890 314410315 /nfs/dbraw/zinc/41/03/15/314410315.db2.gz OZFMKCSLRDCRFK-UHFFFAOYSA-N 0 0 333.347 3.342 10 5 EGBERN CCNc1ccc(C(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000540886171 314411449 /nfs/dbraw/zinc/41/14/49/314411449.db2.gz NYVGCQIEJQVWDL-RMKNXTFCSA-N 0 0 325.368 3.470 10 5 EGBERN COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3C)n(C)c2c1 ZINC000542508862 314552090 /nfs/dbraw/zinc/55/20/90/314552090.db2.gz XGZWGVRXCXMPAU-UHFFFAOYSA-N 0 0 325.324 3.244 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543253255 314616406 /nfs/dbraw/zinc/61/64/06/314616406.db2.gz HOCBNDHZHXJTDK-MRXNPFEDSA-N 0 0 340.379 3.298 10 5 EGBERN CCOc1cccc(CCNc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000543434526 314628514 /nfs/dbraw/zinc/62/85/14/314628514.db2.gz WUCJPZCYWJHORC-UHFFFAOYSA-N 0 0 338.367 3.013 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCCc3cc(F)c(F)c(F)c3)c21 ZINC000544395324 314692267 /nfs/dbraw/zinc/69/22/67/314692267.db2.gz YGMUNJOWQRORDK-UHFFFAOYSA-N 0 0 348.284 3.032 10 5 EGBERN Cc1ccc([C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000544847029 314720856 /nfs/dbraw/zinc/72/08/56/314720856.db2.gz IRGNEPKLSZBRRG-HNNXBMFYSA-N 0 0 346.408 3.081 10 5 EGBERN COc1ccc(CNc2cccc3c2CCN3C(C)=O)cc1[N+](=O)[O-] ZINC000545974652 314798870 /nfs/dbraw/zinc/79/88/70/314798870.db2.gz ATPQASCVSXYHAL-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN Cc1cc(-c2nc(Cc3ccc4c(c3)OCO4)no2)cc([N+](=O)[O-])c1 ZINC000547007510 314869933 /nfs/dbraw/zinc/86/99/33/314869933.db2.gz WYHUTDIVVZSFMQ-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000547286105 314885340 /nfs/dbraw/zinc/88/53/40/314885340.db2.gz NIMQQFBCFFLYIK-CQSZACIVSA-N 0 0 346.387 3.007 10 5 EGBERN Cc1cc(C(=O)NCc2ccncc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000548722811 315039577 /nfs/dbraw/zinc/03/95/77/315039577.db2.gz YBVMJPSYOAPPGN-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000548808797 315050504 /nfs/dbraw/zinc/05/05/04/315050504.db2.gz TUDVXUPMKXWHNN-UHFFFAOYSA-N 0 0 345.355 3.242 10 5 EGBERN Cc1cc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549109387 315075689 /nfs/dbraw/zinc/07/56/89/315075689.db2.gz XFVSYMHIPJESRP-UHFFFAOYSA-N 0 0 347.337 3.273 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000549284117 315085331 /nfs/dbraw/zinc/08/53/31/315085331.db2.gz FHILNDHRCTVBRQ-JTQLQIEISA-N 0 0 329.303 3.057 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000549286374 315085839 /nfs/dbraw/zinc/08/58/39/315085839.db2.gz WGLKGMSRYXCLOO-ZNMIVQPWSA-N 0 0 336.779 3.275 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551670122 315163064 /nfs/dbraw/zinc/16/30/64/315163064.db2.gz NBIZSKWXXJBMDW-LLVKDONJSA-N 0 0 349.431 3.382 10 5 EGBERN O=[N+]([O-])c1ccc(OCCNc2ccnc3cc(F)cnc32)cc1 ZINC000553055365 315243213 /nfs/dbraw/zinc/24/32/13/315243213.db2.gz GXQHDMYHCKCDAX-UHFFFAOYSA-N 0 0 328.303 3.168 10 5 EGBERN COC(=O)c1cc(C)nc(SCc2ccccc2OC)c1[N+](=O)[O-] ZINC000553105055 315245348 /nfs/dbraw/zinc/24/53/48/315245348.db2.gz WWPQKZMYUJDLJW-UHFFFAOYSA-N 0 0 348.380 3.386 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000553445150 315264223 /nfs/dbraw/zinc/26/42/23/315264223.db2.gz HMWWYFPFVAEHIG-ZDUSSCGKSA-N 0 0 335.404 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)cn1 ZINC000555963436 315410711 /nfs/dbraw/zinc/41/07/11/315410711.db2.gz MPPGXINXTWXYRJ-GFCCVEGCSA-N 0 0 327.262 3.154 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000556851466 315474461 /nfs/dbraw/zinc/47/44/61/315474461.db2.gz RFUNPLDUQQRRIP-INIZCTEOSA-N 0 0 340.379 3.031 10 5 EGBERN O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000558766820 315601198 /nfs/dbraw/zinc/60/11/98/315601198.db2.gz XJPSKLLDVBGMSF-CQSZACIVSA-N 0 0 332.335 3.118 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000560778926 315723044 /nfs/dbraw/zinc/72/30/44/315723044.db2.gz FULDCJRTRLIYDP-CYBMUJFWSA-N 0 0 334.763 3.339 10 5 EGBERN CCC[C@@]1(C)CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000561262362 315752730 /nfs/dbraw/zinc/75/27/30/315752730.db2.gz IAUACIYFSGGGAA-KRWDZBQOSA-N 0 0 335.404 3.491 10 5 EGBERN Cc1nccn1CCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563039344 315947869 /nfs/dbraw/zinc/94/78/69/315947869.db2.gz VGLKMWFJJYXQBB-UHFFFAOYSA-N 0 0 329.404 3.266 10 5 EGBERN CC(F)(F)CCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000563424380 316019752 /nfs/dbraw/zinc/01/97/52/316019752.db2.gz MCCGYLXNCXACKN-UHFFFAOYSA-N 0 0 347.337 3.418 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717215 316193337 /nfs/dbraw/zinc/19/33/37/316193337.db2.gz OPZWBOSYCWOIQJ-IUODEOHRSA-N 0 0 346.408 3.360 10 5 EGBERN CC[C@@H]1CCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565561097 316340092 /nfs/dbraw/zinc/34/00/92/316340092.db2.gz ONYWUMNIYVFXKG-WBMJQRKESA-N 0 0 344.415 3.497 10 5 EGBERN CC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000565853661 316379182 /nfs/dbraw/zinc/37/91/82/316379182.db2.gz GXPQMGRDYUEVAR-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC1CCCC1 ZINC000569523919 316926325 /nfs/dbraw/zinc/92/63/25/316926325.db2.gz HATWLWFDAQZBNX-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](c3cccnc3)C2)cc(C)c1[N+](=O)[O-] ZINC000572031805 317281844 /nfs/dbraw/zinc/28/18/44/317281844.db2.gz PBFZYJHPCDKULB-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(CC(C)C)nc1C ZINC000572042218 317283109 /nfs/dbraw/zinc/28/31/09/317283109.db2.gz JELJPPIIGTZCGA-UHFFFAOYSA-N 0 0 332.360 3.384 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572377579 317331514 /nfs/dbraw/zinc/33/15/14/317331514.db2.gz JKBOUPAHULYREG-ZBFHGGJFSA-N 0 0 339.395 3.418 10 5 EGBERN COc1ccc(CC(=O)N(C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000572425868 317337221 /nfs/dbraw/zinc/33/72/21/317337221.db2.gz RDGNPAQXEWBWTN-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2cccc(CCCO)c2)n1 ZINC000572451628 317339672 /nfs/dbraw/zinc/33/96/72/317339672.db2.gz ILYCIHWTVXXQLT-SJORKVTESA-N 0 0 344.415 3.312 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000573765884 317525606 /nfs/dbraw/zinc/52/56/06/317525606.db2.gz CWTJKVFOPVONGU-CABCVRRESA-N 0 0 347.415 3.438 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000575011985 317662721 /nfs/dbraw/zinc/66/27/21/317662721.db2.gz YBSTXBVIQRDPTM-UHFFFAOYSA-N 0 0 347.346 3.169 10 5 EGBERN CCc1noc(C)c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179560726 323392664 /nfs/dbraw/zinc/39/26/64/323392664.db2.gz MVZBXGVOXBYTQS-UHFFFAOYSA-N 0 0 328.328 3.116 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000182301180 323541459 /nfs/dbraw/zinc/54/14/59/323541459.db2.gz RMKDMOIZKZMKAS-OAHLLOKOSA-N 0 0 339.395 3.304 10 5 EGBERN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000185079094 323687539 /nfs/dbraw/zinc/68/75/39/323687539.db2.gz XOGIJIKVGVZFHN-GFCCVEGCSA-N 0 0 334.401 3.039 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000351025586 324156132 /nfs/dbraw/zinc/15/61/32/324156132.db2.gz QULCYKOPZHNVSF-UHFFFAOYSA-N 0 0 330.300 3.179 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CCOc4ccccc43)n2)o1 ZINC000351145907 324181001 /nfs/dbraw/zinc/18/10/01/324181001.db2.gz KQYKWKIBWNZNCJ-JTQLQIEISA-N 0 0 327.296 3.347 10 5 EGBERN CC(C)[C@@]1(CO)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000577605256 324834876 /nfs/dbraw/zinc/83/48/76/324834876.db2.gz PGNDASBIFICUCG-SFHVURJKSA-N 0 0 333.432 3.104 10 5 EGBERN O=C([C@@H]1CCCOCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000577975598 324897566 /nfs/dbraw/zinc/89/75/66/324897566.db2.gz KAMIDASZLQUNIQ-HZPDHXFCSA-N 0 0 332.400 3.118 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCC1CCN(CC(F)(F)F)CC1 ZINC000579140629 325069421 /nfs/dbraw/zinc/06/94/21/325069421.db2.gz LHKJZSFVPYIPCZ-UHFFFAOYSA-N 0 0 347.337 3.290 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000579265540 325086750 /nfs/dbraw/zinc/08/67/50/325086750.db2.gz BEIUINDBMNDWRU-UHFFFAOYSA-N 0 0 347.415 3.280 10 5 EGBERN CCN(CC1CCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579300809 325089572 /nfs/dbraw/zinc/08/95/72/325089572.db2.gz BPUBYHZQNIGLPA-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](O)CC12CCC2 ZINC000579461099 325113435 /nfs/dbraw/zinc/11/34/35/325113435.db2.gz GZIPCSOWOGAPDY-CYBMUJFWSA-N 0 0 346.408 3.329 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(C)C)C1 ZINC000579498517 325119684 /nfs/dbraw/zinc/11/96/84/325119684.db2.gz YDWZHBLXMJOIKU-AWEZNQCLSA-N 0 0 329.404 3.356 10 5 EGBERN O=[N+]([O-])c1ccn(C2CCN(c3nccc4cc(F)ccc43)CC2)n1 ZINC000581545597 325370727 /nfs/dbraw/zinc/37/07/27/325370727.db2.gz STMAASHHLLAEGQ-UHFFFAOYSA-N 0 0 341.346 3.320 10 5 EGBERN O=C(Nc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000581641915 325377929 /nfs/dbraw/zinc/37/79/29/325377929.db2.gz FQBVKABNVCGCMQ-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@H](CO)Cc1ccc(F)cc1 ZINC000581751852 325388133 /nfs/dbraw/zinc/38/81/33/325388133.db2.gz UAXAETARBCLSMR-CYBMUJFWSA-N 0 0 334.347 3.006 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000340913686 456757902 /nfs/dbraw/zinc/75/79/02/456757902.db2.gz NGJKWUBINJRSRT-CQSZACIVSA-N 0 0 349.188 3.132 10 5 EGBERN COC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCC(C)CC1 ZINC000331062243 457126566 /nfs/dbraw/zinc/12/65/66/457126566.db2.gz UXGJFSFSWHVMAP-UHFFFAOYSA-N 0 0 326.418 3.290 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000173165185 455241614 /nfs/dbraw/zinc/24/16/14/455241614.db2.gz QHQGLTUUEQCSNE-DLBZAZTESA-N 0 0 346.427 3.334 10 5 EGBERN CC(C)(NC(=O)NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000180830194 455252809 /nfs/dbraw/zinc/25/28/09/455252809.db2.gz SELBIQKNVWEFGW-UHFFFAOYSA-N 0 0 348.790 3.378 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000173458630 455287076 /nfs/dbraw/zinc/28/70/76/455287076.db2.gz AGKJLWFURNWMPT-CYBMUJFWSA-N 0 0 344.371 3.387 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000190388347 455307867 /nfs/dbraw/zinc/30/78/67/455307867.db2.gz JQXAHEYNRYXYJZ-AWEZNQCLSA-N 0 0 343.387 3.204 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600683534 460568046 /nfs/dbraw/zinc/56/80/46/460568046.db2.gz PVDSKTOCCLMSKH-MNOVXSKESA-N 0 0 325.365 3.236 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000005616867 452887740 /nfs/dbraw/zinc/88/77/40/452887740.db2.gz AWQVUZMPWKWACX-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000600694484 460571353 /nfs/dbraw/zinc/57/13/53/460571353.db2.gz JMSROHJYKBAROZ-UHFFFAOYSA-N 0 0 348.325 3.294 10 5 EGBERN CCc1ccc(-c2nc(Sc3ncccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000006473783 452947368 /nfs/dbraw/zinc/94/73/68/452947368.db2.gz STKAJHQKXZTSOK-UHFFFAOYSA-N 0 0 327.369 3.489 10 5 EGBERN O=[N+]([O-])c1cccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000006548057 452952874 /nfs/dbraw/zinc/95/28/74/452952874.db2.gz GFPJAKPXGGQSSC-UHFFFAOYSA-N 0 0 349.272 3.315 10 5 EGBERN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C(C)C ZINC000008329852 453193216 /nfs/dbraw/zinc/19/32/16/453193216.db2.gz BGJDLBCSGVUMGX-UHFFFAOYSA-N 0 0 334.328 3.227 10 5 EGBERN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000008687531 453222760 /nfs/dbraw/zinc/22/27/60/453222760.db2.gz CWLNMGRFCSIAFV-UHFFFAOYSA-N 0 0 329.356 3.313 10 5 EGBERN O=C(NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000010995466 453309198 /nfs/dbraw/zinc/30/91/98/453309198.db2.gz QSUDVWJVCNMBFU-UHFFFAOYSA-N 0 0 340.257 3.423 10 5 EGBERN Cc1nc2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000011370387 453317808 /nfs/dbraw/zinc/31/78/08/453317808.db2.gz MVPLVGDBFWAPCT-UHFFFAOYSA-N 0 0 340.339 3.485 10 5 EGBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC2(CC2)CC1 ZINC000600768283 460595919 /nfs/dbraw/zinc/59/59/19/460595919.db2.gz FJSKROSQICYPKE-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])cc1Cl ZINC000012742550 453396248 /nfs/dbraw/zinc/39/62/48/453396248.db2.gz WJSPFOURYTWCMQ-UHFFFAOYSA-N 0 0 346.726 3.352 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000012891820 453420156 /nfs/dbraw/zinc/42/01/56/453420156.db2.gz ZDUWYZYFSXNEPX-UHFFFAOYSA-N 0 0 338.266 3.457 10 5 EGBERN Cc1cccc(C(=O)OCC(=O)N[C@@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC000013159820 453450707 /nfs/dbraw/zinc/45/07/07/453450707.db2.gz PUWWNBFKMOWXLK-ZDUSSCGKSA-N 0 0 336.388 3.001 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC12CC2 ZINC000600801563 460609808 /nfs/dbraw/zinc/60/98/08/460609808.db2.gz CMRDOLRYPBETMB-AWEZNQCLSA-N 0 0 330.384 3.254 10 5 EGBERN CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000016458815 453607885 /nfs/dbraw/zinc/60/78/85/453607885.db2.gz INGPFGRHCDTIRU-UHFFFAOYSA-N 0 0 342.395 3.479 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCC23CC3)c1 ZINC000600805678 460611296 /nfs/dbraw/zinc/61/12/96/460611296.db2.gz SPDXJYKDGLZMDU-CQSZACIVSA-N 0 0 332.400 3.369 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000021614522 453678834 /nfs/dbraw/zinc/67/88/34/453678834.db2.gz ABFUCYHWXXENHZ-INIZCTEOSA-N 0 0 340.379 3.476 10 5 EGBERN CSc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000030117574 453833742 /nfs/dbraw/zinc/83/37/42/453833742.db2.gz BWACSZUAYRZONT-UHFFFAOYSA-N 0 0 332.385 3.030 10 5 EGBERN O=C(CN1CCOc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030594327 453836941 /nfs/dbraw/zinc/83/69/41/453836941.db2.gz FWUCEUBJKUNKEF-UHFFFAOYSA-N 0 0 347.758 3.086 10 5 EGBERN Nc1nc(N2CCC[C@H]2[C@@H]2CCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000075094128 453859727 /nfs/dbraw/zinc/85/97/27/453859727.db2.gz RSCBZQSDAFRKBX-CABCVRRESA-N 0 0 339.399 3.056 10 5 EGBERN O=[N+]([O-])c1cnccc1NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066810383 453875685 /nfs/dbraw/zinc/87/56/85/453875685.db2.gz HUOJVHAUXUCZNV-UHFFFAOYSA-N 0 0 331.347 3.289 10 5 EGBERN COc1ccc(Br)cc1CNc1ccncc1[N+](=O)[O-] ZINC000066811354 453875933 /nfs/dbraw/zinc/87/59/33/453875933.db2.gz CGPRUARDIWMVGH-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000066812060 453876574 /nfs/dbraw/zinc/87/65/74/453876574.db2.gz XBCDUABZJGVGNB-UHFFFAOYSA-N 0 0 328.303 3.439 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000032682141 453883209 /nfs/dbraw/zinc/88/32/09/453883209.db2.gz ISKUFIPSMAEOJK-HTQZYQBOSA-N 0 0 349.265 3.135 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000075389398 453889851 /nfs/dbraw/zinc/88/98/51/453889851.db2.gz IRPFIXFKKKXZHE-TZMCWYRMSA-N 0 0 346.387 3.083 10 5 EGBERN O=[N+]([O-])c1cc(CN(CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000084133575 453971129 /nfs/dbraw/zinc/97/11/29/453971129.db2.gz FSCLRRIJKUUJAT-INIZCTEOSA-N 0 0 332.425 3.490 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000067859346 453973520 /nfs/dbraw/zinc/97/35/20/453973520.db2.gz HSEXFCLYZMBQDX-LLVKDONJSA-N 0 0 335.385 3.006 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055465566 453987075 /nfs/dbraw/zinc/98/70/75/453987075.db2.gz ICUYEWVUXBYHKL-LLVKDONJSA-N 0 0 327.340 3.044 10 5 EGBERN CCC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000084740797 454008429 /nfs/dbraw/zinc/00/84/29/454008429.db2.gz KDXKXEFMJJXSIS-LLVKDONJSA-N 0 0 332.447 3.247 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043165202 454046710 /nfs/dbraw/zinc/04/67/10/454046710.db2.gz GIDDFEWVMOSCEX-OAHLLOKOSA-N 0 0 341.367 3.260 10 5 EGBERN CC(=O)Nc1cccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000086624559 454053013 /nfs/dbraw/zinc/05/30/13/454053013.db2.gz FZGWUZGLLGNASZ-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN COc1ccc(F)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000088226652 454093321 /nfs/dbraw/zinc/09/33/21/454093321.db2.gz LVUZFJSNOWLWCU-UHFFFAOYSA-N 0 0 334.303 3.150 10 5 EGBERN COCCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000088744433 454118305 /nfs/dbraw/zinc/11/83/05/454118305.db2.gz QJFQWIDQJLRJKP-UHFFFAOYSA-N 0 0 331.372 3.326 10 5 EGBERN Cc1cc(N[C@@H]2CCN(c3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000088751028 454118308 /nfs/dbraw/zinc/11/83/08/454118308.db2.gz GPFRJOHOEZRNBV-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(OC[C@@H]2CCOC2)c1 ZINC000088743860 454118665 /nfs/dbraw/zinc/11/86/65/454118665.db2.gz KVLRPLXYGQKLMN-CQSZACIVSA-N 0 0 343.383 3.326 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCc2c1cccc2F ZINC000057367769 454122080 /nfs/dbraw/zinc/12/20/80/454122080.db2.gz OHFUCYQNYOWYJV-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000045111734 454139590 /nfs/dbraw/zinc/13/95/90/454139590.db2.gz FHAJTMCNOQWCNJ-QMMMGPOBSA-N 0 0 334.353 3.184 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2ncccc21 ZINC000089420540 454147497 /nfs/dbraw/zinc/14/74/97/454147497.db2.gz AUAPBXQBNAKZDL-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000078004925 454176635 /nfs/dbraw/zinc/17/66/35/454176635.db2.gz BQJVSYYJBUQWBZ-NSHDSACASA-N 0 0 334.401 3.364 10 5 EGBERN Cc1cccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000089688886 454177610 /nfs/dbraw/zinc/17/76/10/454177610.db2.gz PTDQIJDTQWEQKU-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN Cc1c(C(=O)NCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000045831492 454187945 /nfs/dbraw/zinc/18/79/45/454187945.db2.gz GEDPFVKLSKBAFK-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CCc1nn(C)c(NCCc2c[nH]c3cccc(C)c23)c1[N+](=O)[O-] ZINC000094155339 454190346 /nfs/dbraw/zinc/19/03/46/454190346.db2.gz QNSMGNNESCHVOD-UHFFFAOYSA-N 0 0 327.388 3.335 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000071047150 454197223 /nfs/dbraw/zinc/19/72/23/454197223.db2.gz XZHCSQXUBXVRGA-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN CC(C)N(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000078182036 454207803 /nfs/dbraw/zinc/20/78/03/454207803.db2.gz RUCNEPKIWASEIF-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886154 454225752 /nfs/dbraw/zinc/22/57/52/454225752.db2.gz HDNFQEWTCWLYPY-DLBZAZTESA-N 0 0 343.383 3.393 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952161 454245795 /nfs/dbraw/zinc/24/57/95/454245795.db2.gz MGTHXJFCGQXCMC-OLZOCXBDSA-N 0 0 340.420 3.220 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)Sc1ccccc1 ZINC000078505266 454265676 /nfs/dbraw/zinc/26/56/76/454265676.db2.gz MJJPCJJLUOUCEI-NSHDSACASA-N 0 0 331.397 3.286 10 5 EGBERN COc1ccc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000120419224 454299858 /nfs/dbraw/zinc/29/98/58/454299858.db2.gz HBPUZRLHEHFEGJ-UHFFFAOYSA-N 0 0 331.328 3.080 10 5 EGBERN CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466993 454309000 /nfs/dbraw/zinc/30/90/00/454309000.db2.gz XWXRTPGITNDADH-HNNXBMFYSA-N 0 0 344.367 3.493 10 5 EGBERN CC(C)(C)c1nc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cs1 ZINC000060815643 454315167 /nfs/dbraw/zinc/31/51/67/454315167.db2.gz FDVMNZYMDSRDEV-UHFFFAOYSA-N 0 0 345.380 3.145 10 5 EGBERN Cc1cc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC000060860015 454317624 /nfs/dbraw/zinc/31/76/24/454317624.db2.gz LHZMVCIJINTHSO-NSHDSACASA-N 0 0 344.371 3.380 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090621243 454330064 /nfs/dbraw/zinc/33/00/64/454330064.db2.gz IKFPFCBSIWEGOS-JYJNAYRXSA-N 0 0 335.404 3.303 10 5 EGBERN CN(CC(=O)NC(C)(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120680193 454334343 /nfs/dbraw/zinc/33/43/43/454334343.db2.gz DIJHFFVZMUXBAA-UHFFFAOYSA-N 0 0 345.399 3.201 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000097163072 454419720 /nfs/dbraw/zinc/41/97/20/454419720.db2.gz SYPPVQPCYIHRAI-CXAGYDPISA-N 0 0 333.388 3.062 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000073328287 454422698 /nfs/dbraw/zinc/42/26/98/454422698.db2.gz ALELQDRLHVWOSE-LLVKDONJSA-N 0 0 345.742 3.313 10 5 EGBERN O=C1NCCCC[C@@H]1Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000091479130 454439934 /nfs/dbraw/zinc/43/99/34/454439934.db2.gz KBNLDXCYZRAJEW-KRWDZBQOSA-N 0 0 342.351 3.435 10 5 EGBERN Cc1ccc(CN(C)c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c(C)c1 ZINC000121791292 454477314 /nfs/dbraw/zinc/47/73/14/454477314.db2.gz CHBDGJBKKGJJSS-UHFFFAOYSA-N 0 0 348.424 3.252 10 5 EGBERN COC(=O)[C@@H](C)[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000079923339 454500408 /nfs/dbraw/zinc/50/04/08/454500408.db2.gz JPUYZKNFLMAPNY-NHYWBVRUSA-N 0 0 334.397 3.296 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cn1 ZINC000103375819 454551173 /nfs/dbraw/zinc/55/11/73/454551173.db2.gz RVOXRCPJEIDDCZ-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377221 454552374 /nfs/dbraw/zinc/55/23/74/454552374.db2.gz SIQASDINHQQHQR-NSHDSACASA-N 0 0 339.351 3.145 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000122789747 454569272 /nfs/dbraw/zinc/56/92/72/454569272.db2.gz GCQMRZFNXJYEBN-UKRRQHHQSA-N 0 0 345.330 3.420 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134623060 454570577 /nfs/dbraw/zinc/57/05/77/454570577.db2.gz CPWAELOEAMNIGV-XHDPSFHLSA-N 0 0 340.807 3.309 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3ccc(C)cc32)c1 ZINC000092609608 454593573 /nfs/dbraw/zinc/59/35/73/454593573.db2.gz FWJIXRVHTBKKTC-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000074662479 454614595 /nfs/dbraw/zinc/61/45/95/454614595.db2.gz WWKDFWNKNSSMJF-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)C2CCCCC2)s1 ZINC000066000410 454648617 /nfs/dbraw/zinc/64/86/17/454648617.db2.gz XQUVRQSNVOZCTF-UHFFFAOYSA-N 0 0 330.431 3.142 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000105896210 454664724 /nfs/dbraw/zinc/66/47/24/454664724.db2.gz SQIULBHAIBMFER-INIZCTEOSA-N 0 0 332.379 3.421 10 5 EGBERN COc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000105895859 454665385 /nfs/dbraw/zinc/66/53/85/454665385.db2.gz FQOPWQOWUWRDEH-OAHLLOKOSA-N 0 0 344.415 3.291 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000093079755 454678287 /nfs/dbraw/zinc/67/82/87/454678287.db2.gz QQBMVLRNRMRRJU-LJQANCHMSA-N 0 0 342.395 3.485 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000135680830 454697549 /nfs/dbraw/zinc/69/75/49/454697549.db2.gz CBLBABRQJYEYAR-AWEZNQCLSA-N 0 0 349.456 3.017 10 5 EGBERN CC(C)Cc1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000161587091 454706029 /nfs/dbraw/zinc/70/60/29/454706029.db2.gz IMZMUXOILHGWQR-UHFFFAOYSA-N 0 0 345.384 3.378 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000093683946 454728253 /nfs/dbraw/zinc/72/82/53/454728253.db2.gz UFGZCJAERKCABT-MRXNPFEDSA-N 0 0 342.395 3.339 10 5 EGBERN COc1cc(C)ccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136981356 454763262 /nfs/dbraw/zinc/76/32/62/454763262.db2.gz LOBDRHSKMLNYPT-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN Cc1cc(C[C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162462232 454777212 /nfs/dbraw/zinc/77/72/12/454777212.db2.gz RXZNHCGBELQWSK-NSHDSACASA-N 0 0 344.415 3.285 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000125009277 454790016 /nfs/dbraw/zinc/79/00/16/454790016.db2.gz BNBKRMQIHVGWOJ-ZDUSSCGKSA-N 0 0 346.408 3.140 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000125102314 454797435 /nfs/dbraw/zinc/79/74/35/454797435.db2.gz FMQNRFIZIKRWFX-WZRBSPASSA-N 0 0 326.418 3.235 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109091979 454820725 /nfs/dbraw/zinc/82/07/25/454820725.db2.gz CPGKPXYKFFGJAW-LSDHHAIUSA-N 0 0 346.333 3.335 10 5 EGBERN COCc1noc(-c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000109597109 454831700 /nfs/dbraw/zinc/83/17/00/454831700.db2.gz HHRSMGSWUPLYDB-NSHDSACASA-N 0 0 332.360 3.028 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000142743687 454837945 /nfs/dbraw/zinc/83/79/45/454837945.db2.gz WCRFFDQURHUTOS-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(c3cc(F)ccc3F)CC2)cs1 ZINC000177628825 454885977 /nfs/dbraw/zinc/88/59/77/454885977.db2.gz RTARRHULQWVEEJ-UHFFFAOYSA-N 0 0 339.367 3.257 10 5 EGBERN COc1cc(NCc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])cc1OC ZINC000126904310 454925782 /nfs/dbraw/zinc/92/57/82/454925782.db2.gz QONSISTXPSKQQL-UHFFFAOYSA-N 0 0 342.355 3.409 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154922469 454942957 /nfs/dbraw/zinc/94/29/57/454942957.db2.gz QXHKDKLHOFSUHU-NSHDSACASA-N 0 0 330.388 3.346 10 5 EGBERN CC(C)c1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)on1 ZINC000114433327 454953839 /nfs/dbraw/zinc/95/38/39/454953839.db2.gz PSBYOGLSYHDQBM-UHFFFAOYSA-N 0 0 328.328 3.118 10 5 EGBERN CCc1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000155146984 454967815 /nfs/dbraw/zinc/96/78/15/454967815.db2.gz SYGWYVSIYZRGCK-UHFFFAOYSA-N 0 0 338.367 3.272 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3[nH]c4ccccc4c3C2)c1 ZINC000178869069 454985968 /nfs/dbraw/zinc/98/59/68/454985968.db2.gz QKILVPXVTMIGGB-IBGZPJMESA-N 0 0 337.379 3.168 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000155799270 455047310 /nfs/dbraw/zinc/04/73/10/455047310.db2.gz FBJWZFWSWWNOLG-AWEZNQCLSA-N 0 0 334.372 3.176 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Br)ccc2F)c1=O ZINC000155858467 455053780 /nfs/dbraw/zinc/05/37/80/455053780.db2.gz GFRXTZXXABXRAR-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621444 455061752 /nfs/dbraw/zinc/06/17/52/455061752.db2.gz URHPOMPLCDCZOO-LLVKDONJSA-N 0 0 348.321 3.386 10 5 EGBERN Cc1ccn(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000152062944 455067574 /nfs/dbraw/zinc/06/75/74/455067574.db2.gz RGRZOJDICOHSFT-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nccs1 ZINC000171654077 455082993 /nfs/dbraw/zinc/08/29/93/455082993.db2.gz ATNLVLUDSNXAKD-AWEZNQCLSA-N 0 0 346.412 3.217 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152241656 455091678 /nfs/dbraw/zinc/09/16/78/455091678.db2.gz DBXXDXGYGMKKJJ-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000129066302 455097003 /nfs/dbraw/zinc/09/70/03/455097003.db2.gz RQXCGNTUEXQJJF-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152316571 455101311 /nfs/dbraw/zinc/10/13/11/455101311.db2.gz AJNUWRNTUCTUBD-GPMSIDNRSA-N 0 0 347.374 3.392 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588538 455136313 /nfs/dbraw/zinc/13/63/13/455136313.db2.gz CAEDVLBILNWNPZ-LBPRGKRZSA-N 0 0 338.379 3.288 10 5 EGBERN C[C@H](NCc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180399408 455163823 /nfs/dbraw/zinc/16/38/23/455163823.db2.gz OIXYQUDQBRHSSI-ZDUSSCGKSA-N 0 0 337.383 3.241 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189389947 455188372 /nfs/dbraw/zinc/18/83/72/455188372.db2.gz DUWXAOZWIQUWHD-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN COc1cccc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000189501464 455208125 /nfs/dbraw/zinc/20/81/25/455208125.db2.gz LXSCNDCKUGQZBN-UHFFFAOYSA-N 0 0 329.356 3.052 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC3(CCOCC3)c3ccccc32)n1 ZINC000189515894 455212307 /nfs/dbraw/zinc/21/23/07/455212307.db2.gz RFPYSHLEHGKEOS-UHFFFAOYSA-N 0 0 325.368 3.498 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCCC1=O ZINC000190294102 455294906 /nfs/dbraw/zinc/29/49/06/455294906.db2.gz GEOATRYFTZNFBY-JTQLQIEISA-N 0 0 345.321 3.427 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173588595 455311246 /nfs/dbraw/zinc/31/12/46/455311246.db2.gz AOKVRRDKZXMTBL-CYBMUJFWSA-N 0 0 331.397 3.380 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245559338 455329927 /nfs/dbraw/zinc/32/99/27/455329927.db2.gz BNXPDYLFNQDCEH-FAXLKDOZSA-N 0 0 335.404 3.301 10 5 EGBERN CCOc1cc(Cl)ccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000158831432 455331302 /nfs/dbraw/zinc/33/13/02/455331302.db2.gz HYDVXECYMGALIP-UHFFFAOYSA-N 0 0 349.774 3.280 10 5 EGBERN CCO[C@H](C)c1noc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557792 455355540 /nfs/dbraw/zinc/35/55/40/455355540.db2.gz OHGUSFKFSAVIQE-RISCZKNCSA-N 0 0 334.376 3.316 10 5 EGBERN CCC[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000245689584 455356259 /nfs/dbraw/zinc/35/62/59/455356259.db2.gz KDKGADIGUMYXOW-XJKCOSOUSA-N 0 0 332.400 3.468 10 5 EGBERN CCc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1[N+](=O)[O-] ZINC000174162991 455367166 /nfs/dbraw/zinc/36/71/66/455367166.db2.gz XMAXLWLSXOPARB-UHFFFAOYSA-N 0 0 338.323 3.460 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159535659 455383077 /nfs/dbraw/zinc/38/30/77/455383077.db2.gz RMTCLYTWWXSXHR-APHBMKBZSA-N 0 0 328.755 3.316 10 5 EGBERN Cc1cc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000190877932 455396887 /nfs/dbraw/zinc/39/68/87/455396887.db2.gz VMIQRHSPXYMSFE-UHFFFAOYSA-N 0 0 329.356 3.281 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174519577 455400371 /nfs/dbraw/zinc/40/03/71/455400371.db2.gz JXYUGBDEPMWGCC-INIZCTEOSA-N 0 0 332.400 3.088 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113405 455438152 /nfs/dbraw/zinc/43/81/52/455438152.db2.gz KNDAPSRIALOQQK-CYBMUJFWSA-N 0 0 339.823 3.129 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000160692016 455488725 /nfs/dbraw/zinc/48/87/25/455488725.db2.gz LWGYSFDSCVCPOO-IYNGYCSASA-N 0 0 334.372 3.151 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)n1 ZINC000191497761 455490771 /nfs/dbraw/zinc/49/07/71/455490771.db2.gz AGRKAWIDWSFZSW-ZDUSSCGKSA-N 0 0 342.399 3.252 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)n1 ZINC000191625148 455504372 /nfs/dbraw/zinc/50/43/72/455504372.db2.gz LNFMAILKTOHRTO-KGLIPLIRSA-N 0 0 342.399 3.138 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC000191633723 455505528 /nfs/dbraw/zinc/50/55/28/455505528.db2.gz PIWLRFHDIYIYJV-HNNXBMFYSA-N 0 0 342.399 3.487 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2csc3ccccc23)n1 ZINC000191773050 455518180 /nfs/dbraw/zinc/51/81/80/455518180.db2.gz QTYACXDIXBHPSU-UHFFFAOYSA-N 0 0 344.396 3.298 10 5 EGBERN CCn1c2ccc(C)cc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000182501575 455527246 /nfs/dbraw/zinc/52/72/46/455527246.db2.gz DCKURDKGUOJQGU-UHFFFAOYSA-N 0 0 339.355 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC3(CC3)C2)c1 ZINC000185374843 455550599 /nfs/dbraw/zinc/55/05/99/455550599.db2.gz GRZFDMBSZRVDRD-UHFFFAOYSA-N 0 0 344.820 3.121 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185907821 455649285 /nfs/dbraw/zinc/64/92/85/455649285.db2.gz UPVDNBQFUMJINK-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292671998 455728050 /nfs/dbraw/zinc/72/80/50/455728050.db2.gz DLPOTLYOGFIJHB-OCCSQVGLSA-N 0 0 341.314 3.112 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](C)Cc1ccsc1 ZINC000186291674 455735693 /nfs/dbraw/zinc/73/56/93/455735693.db2.gz BYSPQEITVMFIEO-LLVKDONJSA-N 0 0 333.413 3.453 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000278063414 455748694 /nfs/dbraw/zinc/74/86/94/455748694.db2.gz NIZOSAXXTZBZCA-OLZOCXBDSA-N 0 0 336.391 3.391 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCOC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000269006564 455761058 /nfs/dbraw/zinc/76/10/58/455761058.db2.gz ZOTBQFNBDLAHPN-GFCCVEGCSA-N 0 0 334.372 3.203 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000269043261 455773386 /nfs/dbraw/zinc/77/33/86/455773386.db2.gz YSLCKGSPARSFBQ-YVEFUNNKSA-N 0 0 346.358 3.284 10 5 EGBERN COc1ccccc1[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278175418 455777400 /nfs/dbraw/zinc/77/74/00/455777400.db2.gz BGCKHEDNXNWILN-GFCCVEGCSA-N 0 0 338.367 3.474 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3csc([N+](=O)[O-])c3)cn(C)c2c1 ZINC000186556377 455792179 /nfs/dbraw/zinc/79/21/79/455792179.db2.gz IYQOKUNIKYMEBL-UHFFFAOYSA-N 0 0 343.408 3.429 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000272064534 455837255 /nfs/dbraw/zinc/83/72/55/455837255.db2.gz GXWMLOGCAPTORF-OCCSQVGLSA-N 0 0 340.807 3.117 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000272064532 455837295 /nfs/dbraw/zinc/83/72/95/455837295.db2.gz GXWMLOGCAPTORF-JSGCOSHPSA-N 0 0 340.807 3.117 10 5 EGBERN Cc1cc(C(=O)Nc2ccc(C)c3ncccc23)c([N+](=O)[O-])c(=O)[nH]1 ZINC000253404993 455840383 /nfs/dbraw/zinc/84/03/83/455840383.db2.gz GLRNJBMBWMKHBP-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN Cc1cccc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285433963 455845049 /nfs/dbraw/zinc/84/50/49/455845049.db2.gz WXTMBHPGTOMGSH-UHFFFAOYSA-N 0 0 327.384 3.016 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000295859917 455861937 /nfs/dbraw/zinc/86/19/37/455861937.db2.gz KPRPBXUSFHZCAE-QGZVFWFLSA-N 0 0 336.391 3.391 10 5 EGBERN CC(C)N(Cc1nnc(C2CC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195107172 455921877 /nfs/dbraw/zinc/92/18/77/455921877.db2.gz NTFQZGDLDDNRRO-UHFFFAOYSA-N 0 0 329.404 3.011 10 5 EGBERN O=[N+]([O-])c1cc(CNc2ncn(CC(F)(F)F)n2)ccc1Cl ZINC000195110642 455922637 /nfs/dbraw/zinc/92/26/37/455922637.db2.gz NAQXFEZFJSDLBS-UHFFFAOYSA-N 0 0 335.673 3.014 10 5 EGBERN CC(C)CCCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296401360 455928563 /nfs/dbraw/zinc/92/85/63/455928563.db2.gz KKFAEEWLZDVFRJ-UHFFFAOYSA-N 0 0 342.359 3.204 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1C ZINC000187905706 455967179 /nfs/dbraw/zinc/96/71/79/455967179.db2.gz ZWOUFPKIQPYCQZ-GXFFZTMASA-N 0 0 334.397 3.307 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn(C)nc1C(F)(F)F ZINC000286070638 455971085 /nfs/dbraw/zinc/97/10/85/455971085.db2.gz CEIMEYGTQZCCNB-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN COCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272498804 455971607 /nfs/dbraw/zinc/97/16/07/455971607.db2.gz HIZHZKQOFVZQQY-GXTWGEPZSA-N 0 0 347.371 3.326 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000272529429 455984057 /nfs/dbraw/zinc/98/40/57/455984057.db2.gz JTWMJDRZQOENIZ-UHFFFAOYSA-N 0 0 348.790 3.181 10 5 EGBERN CN1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800795 456042159 /nfs/dbraw/zinc/04/21/59/456042159.db2.gz UGIUXMTYQHPJRH-ZFWWWQNUSA-N 0 0 334.326 3.125 10 5 EGBERN Cc1c(NC(=O)[C@]2(C)CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280770142 456048861 /nfs/dbraw/zinc/04/88/61/456048861.db2.gz RJZPUNGLVITYKG-ZDUSSCGKSA-N 0 0 343.177 3.173 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCOC1CCCC1 ZINC000601108302 460713117 /nfs/dbraw/zinc/71/31/17/460713117.db2.gz HGSZRGVJKWFRFD-UHFFFAOYSA-N 0 0 336.314 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)nc1 ZINC000301259569 456074634 /nfs/dbraw/zinc/07/46/34/456074634.db2.gz OGHTWGCWQWHBPI-GFCCVEGCSA-N 0 0 348.353 3.345 10 5 EGBERN C[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000297033404 456098203 /nfs/dbraw/zinc/09/82/03/456098203.db2.gz LEIAIUQXYJBLTA-JQWIXIFHSA-N 0 0 348.371 3.011 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000188636399 456101558 /nfs/dbraw/zinc/10/15/58/456101558.db2.gz RLZCOYWBCRDSGE-GJZGRUSLSA-N 0 0 335.404 3.303 10 5 EGBERN CCCCCN(Cc1ccc(F)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271043878 456109210 /nfs/dbraw/zinc/10/92/10/456109210.db2.gz RLTJHCDXNLEDJC-UHFFFAOYSA-N 0 0 348.378 3.300 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc(C)c(O)c(C)c2)c1 ZINC000188690670 456114017 /nfs/dbraw/zinc/11/40/17/456114017.db2.gz YEMWAWMYPADJRW-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN Cc1cc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000188705395 456117494 /nfs/dbraw/zinc/11/74/94/456117494.db2.gz GWCZFVBUBXSXOW-UHFFFAOYSA-N 0 0 342.395 3.209 10 5 EGBERN CC[C@H](NC(=O)[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271072457 456117632 /nfs/dbraw/zinc/11/76/32/456117632.db2.gz YQVZZRSMUDWWII-ROUUACIJSA-N 0 0 342.395 3.156 10 5 EGBERN CC(C)Oc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301873352 456238317 /nfs/dbraw/zinc/23/83/17/456238317.db2.gz DPRXOHJOQMPBOW-UHFFFAOYSA-N 0 0 327.344 3.037 10 5 EGBERN Cc1cccc2[nH]c(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc21 ZINC000301893989 456244996 /nfs/dbraw/zinc/24/49/96/456244996.db2.gz PFJFYZOOFYWPHW-UHFFFAOYSA-N 0 0 327.300 3.300 10 5 EGBERN Cc1nc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903504 456247307 /nfs/dbraw/zinc/24/73/07/456247307.db2.gz OYBMHBZWTSVIBX-PBHICJAKSA-N 0 0 348.353 3.434 10 5 EGBERN CCc1nn(C)c(NCCc2ccc(OC)cc2Cl)c1[N+](=O)[O-] ZINC000301921845 456252416 /nfs/dbraw/zinc/25/24/16/456252416.db2.gz DTJMUTQSKMUSNE-UHFFFAOYSA-N 0 0 338.795 3.207 10 5 EGBERN Cc1cc(Cc2noc(C[C@H](O)CC(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000290154409 456254180 /nfs/dbraw/zinc/25/41/80/456254180.db2.gz SFFFBEMGJKGJEM-ZDUSSCGKSA-N 0 0 333.388 3.217 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000290166686 456257925 /nfs/dbraw/zinc/25/79/25/456257925.db2.gz MHAWWNRJEHXPMI-NWDGAFQWSA-N 0 0 334.376 3.235 10 5 EGBERN COC(=O)c1ccc(CNc2ccccc2[N+](=O)[O-])nc1C1CC1 ZINC000302024026 456271003 /nfs/dbraw/zinc/27/10/03/456271003.db2.gz JSDSFZJGIBBABF-UHFFFAOYSA-N 0 0 327.340 3.266 10 5 EGBERN COc1ccc(CCNc2cc(CO)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000302042542 456274664 /nfs/dbraw/zinc/27/46/64/456274664.db2.gz ODGOFDYTBHQQJP-UHFFFAOYSA-N 0 0 336.775 3.404 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC=C(C(F)(F)F)CC1 ZINC000601135388 460725008 /nfs/dbraw/zinc/72/50/08/460725008.db2.gz NWFQSQAMZSEOGB-UHFFFAOYSA-N 0 0 344.215 3.046 10 5 EGBERN COc1cc(N2CC[C@@H](OCc3c(C)noc3C)C2)ccc1[N+](=O)[O-] ZINC000302127990 456293655 /nfs/dbraw/zinc/29/36/55/456293655.db2.gz AAZUTDHOENGMEL-CQSZACIVSA-N 0 0 347.371 3.004 10 5 EGBERN Cc1ccncc1[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137013 460726216 /nfs/dbraw/zinc/72/62/16/460726216.db2.gz PPQADOLBWCWFNR-MRVPVSSYSA-N 0 0 329.282 3.224 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342917660 456312431 /nfs/dbraw/zinc/31/24/31/456312431.db2.gz CFMOTCMYFCUEHL-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC(=O)OC(C)C ZINC000275791572 456315383 /nfs/dbraw/zinc/31/53/83/456315383.db2.gz LBXVFIRXFKMCJG-UHFFFAOYSA-N 0 0 342.779 3.018 10 5 EGBERN COCCCOc1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601135488 460727100 /nfs/dbraw/zinc/72/71/00/460727100.db2.gz VKXADQJBXLBZLP-UHFFFAOYSA-N 0 0 335.335 3.156 10 5 EGBERN Cc1nnc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000275840469 456329962 /nfs/dbraw/zinc/32/99/62/456329962.db2.gz UQKQPSHCHMFWRR-SSDOTTSWSA-N 0 0 340.792 3.208 10 5 EGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cncc(F)c1 ZINC000601139457 460728258 /nfs/dbraw/zinc/72/82/58/460728258.db2.gz HDFHJQRWRAWQBO-ZCFIWIBFSA-N 0 0 333.245 3.054 10 5 EGBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302492211 456348900 /nfs/dbraw/zinc/34/89/00/456348900.db2.gz ZNADPZKNFGSTCH-RYUDHWBXSA-N 0 0 336.392 3.047 10 5 EGBERN Cc1csc([C@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601141764 460729633 /nfs/dbraw/zinc/72/96/33/460729633.db2.gz GXHDTGSIJCXGQX-ZCFIWIBFSA-N 0 0 349.338 3.328 10 5 EGBERN CCOc1cc(N2CCn3c(C(C)C)nnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000302602094 456364390 /nfs/dbraw/zinc/36/43/90/456364390.db2.gz YTLZTPARRYUPCV-GFCCVEGCSA-N 0 0 345.403 3.290 10 5 EGBERN Cc1nc2cc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000340297611 456369070 /nfs/dbraw/zinc/36/90/70/456369070.db2.gz JWSBCOQCIZZQMF-UHFFFAOYSA-N 0 0 340.339 3.409 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1ccccn1 ZINC000282021023 456391871 /nfs/dbraw/zinc/39/18/71/456391871.db2.gz SEDDPDTWTJGDSR-UHFFFAOYSA-N 0 0 344.371 3.143 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000343087913 456398680 /nfs/dbraw/zinc/39/86/80/456398680.db2.gz XJESZBACUAIALJ-JSGCOSHPSA-N 0 0 345.330 3.192 10 5 EGBERN CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)O1 ZINC000601149550 460732702 /nfs/dbraw/zinc/73/27/02/460732702.db2.gz NXXMRDYUOIYLAD-XJKSGUPXSA-N 0 0 332.400 3.042 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000302820524 456410048 /nfs/dbraw/zinc/41/00/48/456410048.db2.gz PLUYZFIIUNLTNN-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN COC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(Cl)cc1 ZINC000302867476 456422126 /nfs/dbraw/zinc/42/21/26/456422126.db2.gz WJJZNNGKWVKCKW-GFCCVEGCSA-N 0 0 347.762 3.091 10 5 EGBERN Cc1ccccc1OCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353000903 456440265 /nfs/dbraw/zinc/44/02/65/456440265.db2.gz OOSSPRCOHVZTMT-UHFFFAOYSA-N 0 0 327.384 3.125 10 5 EGBERN CC[C@@H](NC(=O)N1CC(C)(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000290901684 456463445 /nfs/dbraw/zinc/46/34/45/456463445.db2.gz CKJWNZUMARYSEZ-OAHLLOKOSA-N 0 0 335.404 3.114 10 5 EGBERN COc1ccc2[nH]c(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2c1 ZINC000291006726 456493838 /nfs/dbraw/zinc/49/38/38/456493838.db2.gz AIOYRZOLKVIGIH-UHFFFAOYSA-N 0 0 330.344 3.214 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000343282031 456507186 /nfs/dbraw/zinc/50/71/86/456507186.db2.gz HEXKZJXRKJHUCI-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000348225734 456547080 /nfs/dbraw/zinc/54/70/80/456547080.db2.gz BGRJHSNYMXZFRZ-GHMZBOCLSA-N 0 0 337.376 3.312 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCN3c4ccccc4C[C@H]3C2)c(Cl)c1 ZINC000291189926 456559233 /nfs/dbraw/zinc/55/92/33/456559233.db2.gz SQCBUYBMFKWHFI-AWEZNQCLSA-N 0 0 344.802 3.285 10 5 EGBERN COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000340610968 456571442 /nfs/dbraw/zinc/57/14/42/456571442.db2.gz LANUMBCNITUIOP-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCOc1ccc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc1Cl ZINC000340697518 456633720 /nfs/dbraw/zinc/63/37/20/456633720.db2.gz SCJDPMBXEFCXQJ-UHFFFAOYSA-N 0 0 349.734 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282912582 456662606 /nfs/dbraw/zinc/66/26/06/456662606.db2.gz VLSNWQYERAZJGO-XHDPSFHLSA-N 0 0 340.807 3.228 10 5 EGBERN CCNc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000348403246 456667525 /nfs/dbraw/zinc/66/75/25/456667525.db2.gz DEPSDMIAKDYYFH-ZDUSSCGKSA-N 0 0 347.415 3.058 10 5 EGBERN CC[C@H](NCc1c(Cl)ncnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283002030 456686669 /nfs/dbraw/zinc/68/66/69/456686669.db2.gz FRMDFBBCALUOTH-AWEZNQCLSA-N 0 0 349.822 3.345 10 5 EGBERN CC(C)OCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348456665 456694215 /nfs/dbraw/zinc/69/42/15/456694215.db2.gz OTXGEKBNUNCLIM-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN Cn1ccnc1[C@@H](NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353433671 456695795 /nfs/dbraw/zinc/69/57/95/456695795.db2.gz HIAUJCXEXIJPTD-SFHVURJKSA-N 0 0 336.395 3.250 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCCC23CCOCC3)cc(C)c1[N+](=O)[O-] ZINC000283335820 456760811 /nfs/dbraw/zinc/76/08/11/456760811.db2.gz AQFYBLFJAWFPFL-OAHLLOKOSA-N 0 0 348.399 3.451 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NCCC2(F)CCC2)c([N+](=O)[O-])c1 ZINC000340922406 456761923 /nfs/dbraw/zinc/76/19/23/456761923.db2.gz VCQHRNVUJYPGIO-UHFFFAOYSA-N 0 0 346.362 3.254 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CCO)c3ccc(Cl)cc3)nc2c1 ZINC000340931413 456768295 /nfs/dbraw/zinc/76/82/95/456768295.db2.gz CSRHETLDLYFXME-CYBMUJFWSA-N 0 0 346.774 3.082 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277331677 456781425 /nfs/dbraw/zinc/78/14/25/456781425.db2.gz DVIFOAAFMSQXNG-ZETCQYMHSA-N 0 0 338.232 3.288 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000348629333 456785936 /nfs/dbraw/zinc/78/59/36/456785936.db2.gz BJKKELNCTMKOKO-QWRGUYRKSA-N 0 0 345.321 3.102 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cc(Cl)ccc1Cl ZINC000301060288 456787080 /nfs/dbraw/zinc/78/70/80/456787080.db2.gz AUXBPTHJTRGXRS-UHFFFAOYSA-N 0 0 328.111 3.188 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc2ocnc21 ZINC000344046229 456792315 /nfs/dbraw/zinc/79/23/15/456792315.db2.gz GTYDNXBFSPLTSC-UHFFFAOYSA-N 0 0 333.250 3.195 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCC2(C1)Oc1ccccc1O2 ZINC000344152658 456802130 /nfs/dbraw/zinc/80/21/30/456802130.db2.gz HVBMQHQDXKEAAO-UHFFFAOYSA-N 0 0 330.315 3.107 10 5 EGBERN COc1ccc(CNc2cc(C)n([C@H](C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000344302456 456815562 /nfs/dbraw/zinc/81/55/62/456815562.db2.gz LHLGVMFONSNCSN-GFCCVEGCSA-N 0 0 330.388 3.113 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000292130624 456863106 /nfs/dbraw/zinc/86/31/06/456863106.db2.gz HCRKIANGNCOJNK-CYBMUJFWSA-N 0 0 343.358 3.051 10 5 EGBERN CCc1ncnc(CC)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339017654 456902817 /nfs/dbraw/zinc/90/28/17/456902817.db2.gz MQRLVMPFDJIQFG-NSHDSACASA-N 0 0 328.372 3.001 10 5 EGBERN CN(Cc1nccs1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349181062 456905007 /nfs/dbraw/zinc/90/50/07/456905007.db2.gz FCWHXOQEZHGZHG-UHFFFAOYSA-N 0 0 345.302 3.342 10 5 EGBERN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000345110807 456929424 /nfs/dbraw/zinc/92/94/24/456929424.db2.gz OUTUEKBYXYMVLR-NSHDSACASA-N 0 0 349.215 3.235 10 5 EGBERN CCOC(=O)c1cnc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000349870229 457086852 /nfs/dbraw/zinc/08/68/52/457086852.db2.gz ATQYDFRHOYKFEA-UHFFFAOYSA-N 0 0 343.339 3.036 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000346655251 457094995 /nfs/dbraw/zinc/09/49/95/457094995.db2.gz JUYWCGNXBPZYMO-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN COCCN(Cc1scnc1C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000362848353 457122498 /nfs/dbraw/zinc/12/24/98/457122498.db2.gz BDBWTKFWCRTDPS-UHFFFAOYSA-N 0 0 336.417 3.025 10 5 EGBERN CNc1c(C(=O)N[C@@H]2CCOc3c(C)cccc32)cccc1[N+](=O)[O-] ZINC000356705451 457125393 /nfs/dbraw/zinc/12/53/93/457125393.db2.gz UONVOPSUZRTQKU-CQSZACIVSA-N 0 0 341.367 3.199 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356720464 457132852 /nfs/dbraw/zinc/13/28/52/457132852.db2.gz CFKINELHQXWHOP-ZFWWWQNUSA-N 0 0 331.416 3.359 10 5 EGBERN CN(C)c1cnc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000356731254 457140131 /nfs/dbraw/zinc/14/01/31/457140131.db2.gz IBYOUBYJDLNXAR-UHFFFAOYSA-N 0 0 343.387 3.001 10 5 EGBERN Cc1sc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000331246513 457153260 /nfs/dbraw/zinc/15/32/60/457153260.db2.gz MKXGHJBKDLUMFN-HNNXBMFYSA-N 0 0 326.418 3.026 10 5 EGBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359943553 457161226 /nfs/dbraw/zinc/16/12/26/457161226.db2.gz QIAWQKBZPRPUDV-UHFFFAOYSA-N 0 0 345.380 3.042 10 5 EGBERN Cc1cc(N2CCO[C@@H](c3cccc(O)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000360064342 457234900 /nfs/dbraw/zinc/23/49/00/457234900.db2.gz BXQKGZUTFOZSMS-QGZVFWFLSA-N 0 0 332.331 3.326 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ncon2)cc1C(F)(F)F ZINC000363158685 457241178 /nfs/dbraw/zinc/24/11/78/457241178.db2.gz CSMCVKWMDZVYTR-LLVKDONJSA-N 0 0 328.250 3.338 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(CCC(F)(F)F)c1 ZINC000342369180 457260948 /nfs/dbraw/zinc/26/09/48/457260948.db2.gz YHCXTDVUPBXPFP-UHFFFAOYSA-N 0 0 346.240 3.135 10 5 EGBERN O=C(c1ccc2c(c1)CCC=C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000354524274 457270579 /nfs/dbraw/zinc/27/05/79/457270579.db2.gz FWZIPRBTTWJMFN-UHFFFAOYSA-N 0 0 335.363 3.148 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000360259233 457298692 /nfs/dbraw/zinc/29/86/92/457298692.db2.gz UMKPWQBFBZMBMM-HUUCEWRRSA-N 0 0 346.408 3.046 10 5 EGBERN C[C@@H]1CCCc2ncc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)n21 ZINC000351521909 457302449 /nfs/dbraw/zinc/30/24/49/457302449.db2.gz URWMIJUIASKAIE-MRVPVSSYSA-N 0 0 331.357 3.467 10 5 EGBERN CC1(C)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000342462996 457315855 /nfs/dbraw/zinc/31/58/55/457315855.db2.gz YNXIVIPCXAZUEQ-UHFFFAOYSA-N 0 0 326.343 3.454 10 5 EGBERN Cc1cc(NC(=O)c2cccnc2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360760366 457340104 /nfs/dbraw/zinc/34/01/04/457340104.db2.gz BYAHUYMHWYSCEP-UHFFFAOYSA-N 0 0 348.362 3.398 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424989291 457395922 /nfs/dbraw/zinc/39/59/22/457395922.db2.gz PYMZOYDDNPAMRY-MLGOLLRUSA-N 0 0 329.400 3.113 10 5 EGBERN Cc1c(Br)c(NCC2(CCO)CCC2)ncc1[N+](=O)[O-] ZINC000347408541 457408981 /nfs/dbraw/zinc/40/89/81/457408981.db2.gz CDASDBBGHHVDDJ-UHFFFAOYSA-N 0 0 344.209 3.025 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCc4ccc(F)c(F)c4C3)c21 ZINC000347429095 457423220 /nfs/dbraw/zinc/42/32/20/457423220.db2.gz ZAOKVWQXPPCCSX-UHFFFAOYSA-N 0 0 342.305 3.379 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CC(F)F)C1 ZINC000425078773 457430576 /nfs/dbraw/zinc/43/05/76/457430576.db2.gz XIGSZZVDLRFSDP-UHFFFAOYSA-N 0 0 330.356 3.434 10 5 EGBERN COc1cc(CNC2(c3noc(C)n3)CCCCC2)ccc1[N+](=O)[O-] ZINC000352535745 457446297 /nfs/dbraw/zinc/44/62/97/457446297.db2.gz VCSHCUYKYIUJRY-UHFFFAOYSA-N 0 0 346.387 3.244 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC=C(c2cccc(OC)c2)CC1 ZINC000360952785 457460797 /nfs/dbraw/zinc/46/07/97/457460797.db2.gz FEPYHNIFZGGBIH-UHFFFAOYSA-N 0 0 342.399 3.422 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3cc([O-])ccc3[N+](=O)[O-])c21 ZINC000352576846 457478772 /nfs/dbraw/zinc/47/87/72/457478772.db2.gz LBCRZMPZORVEST-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000369996409 457494565 /nfs/dbraw/zinc/49/45/65/457494565.db2.gz MWSNMDSKHQBPME-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000361041938 457535988 /nfs/dbraw/zinc/53/59/88/457535988.db2.gz HJMJUXYUJQNSRI-LSDHHAIUSA-N 0 0 330.388 3.309 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000374411301 457619043 /nfs/dbraw/zinc/61/90/43/457619043.db2.gz YIZMGDXKQNLLRP-GOSISDBHSA-N 0 0 343.358 3.196 10 5 EGBERN Cc1c(NC(=O)N2CCOc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000374548528 457655968 /nfs/dbraw/zinc/65/59/68/457655968.db2.gz BHLWVLQTBUIRPE-UHFFFAOYSA-N 0 0 345.330 3.469 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000361257117 457669249 /nfs/dbraw/zinc/66/92/49/457669249.db2.gz HDGPVXKXELWKEV-SFHVURJKSA-N 0 0 348.362 3.037 10 5 EGBERN COC1CCC(Cc2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)CC1 ZINC000357731499 457671414 /nfs/dbraw/zinc/67/14/14/457671414.db2.gz NQLMHAHHVXAZCL-UHFFFAOYSA-N 0 0 349.391 3.239 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000365076439 457726215 /nfs/dbraw/zinc/72/62/15/457726215.db2.gz GTXDMOJTLWNUBB-LLVKDONJSA-N 0 0 348.384 3.031 10 5 EGBERN CC(C)CC[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785986 457810799 /nfs/dbraw/zinc/81/07/99/457810799.db2.gz DNPDAXSCRDZNOR-HNNXBMFYSA-N 0 0 340.445 3.325 10 5 EGBERN CC(C)(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000443763571 457810975 /nfs/dbraw/zinc/81/09/75/457810975.db2.gz ZCVACZOFYROKKL-UHFFFAOYSA-N 0 0 340.426 3.011 10 5 EGBERN Cc1cc(NC(=O)C(=O)N2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000411253442 457841704 /nfs/dbraw/zinc/84/17/04/457841704.db2.gz DCGBOQGDIZKYBM-UHFFFAOYSA-N 0 0 345.399 3.025 10 5 EGBERN COc1cccc(N2CC[C@H](OCc3c(C)noc3C)C2)c1[N+](=O)[O-] ZINC000375371718 457901678 /nfs/dbraw/zinc/90/16/78/457901678.db2.gz WVCNKDMVYHPWAG-ZDUSSCGKSA-N 0 0 347.371 3.004 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000458032329 457911002 /nfs/dbraw/zinc/91/10/02/457911002.db2.gz UHSBWCFFBRBISM-LSDHHAIUSA-N 0 0 342.399 3.220 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000433995332 457927715 /nfs/dbraw/zinc/92/77/15/457927715.db2.gz XVNIDPCRUIHYIF-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000433997886 457929636 /nfs/dbraw/zinc/92/96/36/457929636.db2.gz CGDUJIDZGUJZJJ-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN C[C@@H]1COCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000375537367 457964494 /nfs/dbraw/zinc/96/44/94/457964494.db2.gz NTRORCQCAOLOSU-LBPRGKRZSA-N 0 0 335.404 3.393 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000458240012 457983948 /nfs/dbraw/zinc/98/39/48/457983948.db2.gz PNRSTVKXIRIYMH-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN COc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1F ZINC000444881254 457991922 /nfs/dbraw/zinc/99/19/22/457991922.db2.gz YDKSAFGPJCRKNA-UHFFFAOYSA-N 0 0 336.367 3.400 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445075881 458013156 /nfs/dbraw/zinc/01/31/56/458013156.db2.gz DSHCPDIZOJYFIR-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000362242722 458047485 /nfs/dbraw/zinc/04/74/85/458047485.db2.gz MVCHLYJAUBFIIC-LBPRGKRZSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C/C=C/c3ccc(C)cc3)n2)n1C ZINC000445602764 458068276 /nfs/dbraw/zinc/06/82/76/458068276.db2.gz XCTWOWFKJMKDTA-SNAWJCMRSA-N 0 0 339.355 3.251 10 5 EGBERN C[C@@H](NC(=O)NC[C@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000458611421 458109657 /nfs/dbraw/zinc/10/96/57/458109657.db2.gz DSRMZYSCFDIXPD-UKRRQHHQSA-N 0 0 349.431 3.144 10 5 EGBERN CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000412280125 458153099 /nfs/dbraw/zinc/15/30/99/458153099.db2.gz LPMONXWQUVOEBH-XQQFMLRXSA-N 0 0 330.306 3.401 10 5 EGBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCSC1 ZINC000446228083 458165097 /nfs/dbraw/zinc/16/50/97/458165097.db2.gz QZDNEGIRLNKLLZ-LBPRGKRZSA-N 0 0 338.432 3.259 10 5 EGBERN CC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022446 458167898 /nfs/dbraw/zinc/16/78/98/458167898.db2.gz SQLVUDOBPZYIGI-XJKSGUPXSA-N 0 0 340.807 3.018 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000428668168 458188684 /nfs/dbraw/zinc/18/86/84/458188684.db2.gz YNFVNZTXPDUWLC-CRAIPNDOSA-N 0 0 345.374 3.324 10 5 EGBERN O=C(NCC1CC(F)(F)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000358826407 458241872 /nfs/dbraw/zinc/24/18/72/458241872.db2.gz PRSLQRRYXLZLCP-UHFFFAOYSA-N 0 0 338.232 3.389 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000372269642 458256254 /nfs/dbraw/zinc/25/62/54/458256254.db2.gz DGMHNYZWBLHDLR-GFCCVEGCSA-N 0 0 344.298 3.074 10 5 EGBERN CC[C@@H]1CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285555 458307086 /nfs/dbraw/zinc/30/70/86/458307086.db2.gz OLMRUOGZIFWPPI-LLVKDONJSA-N 0 0 330.331 3.232 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000430211492 458422447 /nfs/dbraw/zinc/42/24/47/458422447.db2.gz ALGSQDKGGYAQHA-LLVKDONJSA-N 0 0 330.340 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CCCc3n[nH]cc32)n1 ZINC000373196068 458425966 /nfs/dbraw/zinc/42/59/66/458425966.db2.gz RDDGTVLURBLNGW-LLVKDONJSA-N 0 0 339.355 3.453 10 5 EGBERN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483931 458440983 /nfs/dbraw/zinc/44/09/83/458440983.db2.gz QJNRIPDCZSAYIL-BXUZGUMPSA-N 0 0 345.415 3.052 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000430410753 458447449 /nfs/dbraw/zinc/44/74/49/458447449.db2.gz XMVHZMASQWHLAR-JBBXEZCESA-N 0 0 340.379 3.269 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000460193234 458504209 /nfs/dbraw/zinc/50/42/09/458504209.db2.gz NALBIKZHGBCCEQ-QWHCGFSZSA-N 0 0 329.404 3.498 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1ccccc1 ZINC000460461928 458519031 /nfs/dbraw/zinc/51/90/31/458519031.db2.gz NIFLMDKMJPBERK-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN Cc1cnc(N[C@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000431493775 458580047 /nfs/dbraw/zinc/58/00/47/458580047.db2.gz JDVUIIODPWBCJC-MRVPVSSYSA-N 0 0 338.165 3.024 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813646 458611638 /nfs/dbraw/zinc/61/16/38/458611638.db2.gz UWUDBSMCVHJSMG-GDBMZVCRSA-N 0 0 340.807 3.018 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000470172685 458621351 /nfs/dbraw/zinc/62/13/51/458621351.db2.gz AEPIEGHIXQVSDU-JVMYSYBCSA-N 0 0 346.427 3.266 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000439156993 458664071 /nfs/dbraw/zinc/66/40/71/458664071.db2.gz RYVNEXWBBHCIQL-NSHDSACASA-N 0 0 328.796 3.442 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955573 458668689 /nfs/dbraw/zinc/66/86/89/458668689.db2.gz MKMNEQMIGVCRGV-ZYHUDNBSSA-N 0 0 345.321 3.114 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000494386176 458669330 /nfs/dbraw/zinc/66/93/30/458669330.db2.gz POHWRJZPMNRSAC-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN CC[C@H](C)Oc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccn1 ZINC000547193742 458706454 /nfs/dbraw/zinc/70/64/54/458706454.db2.gz JVAOCCMFQFFCOQ-JTQLQIEISA-N 0 0 341.327 3.279 10 5 EGBERN CN(CC(=O)N1CCC[C@H]1CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000463575654 458710218 /nfs/dbraw/zinc/71/02/18/458710218.db2.gz MEFQBJZFJQLTFA-AWEZNQCLSA-N 0 0 333.432 3.458 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000547287016 458715779 /nfs/dbraw/zinc/71/57/79/458715779.db2.gz WBFXHVUOZOXNTP-CQSZACIVSA-N 0 0 331.372 3.304 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000503703610 458722481 /nfs/dbraw/zinc/72/24/81/458722481.db2.gz RTYSQLAQTMYJDB-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000456601498 458726442 /nfs/dbraw/zinc/72/64/42/458726442.db2.gz VDOIAFLLEWHUJK-INIZCTEOSA-N 0 0 325.368 3.296 10 5 EGBERN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1Br ZINC000547421032 458736347 /nfs/dbraw/zinc/73/63/47/458736347.db2.gz BJIXFXHWZJBLQC-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cn1c(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000456756515 458772972 /nfs/dbraw/zinc/77/29/72/458772972.db2.gz MNVXRQOXPMHZMV-UHFFFAOYSA-N 0 0 345.374 3.313 10 5 EGBERN COc1ccc(NC(=O)CN2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000530466514 458774177 /nfs/dbraw/zinc/77/41/77/458774177.db2.gz LCQUNGDNGOEEML-UHFFFAOYSA-N 0 0 349.431 3.300 10 5 EGBERN O=C(c1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000432926179 458814613 /nfs/dbraw/zinc/81/46/13/458814613.db2.gz DUCHAZDONRNWPT-UHFFFAOYSA-N 0 0 329.331 3.228 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000566510603 458951878 /nfs/dbraw/zinc/95/18/78/458951878.db2.gz WDZZVJUXRHFMMD-WBVHZDCISA-N 0 0 332.400 3.450 10 5 EGBERN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531888073 458994791 /nfs/dbraw/zinc/99/47/91/458994791.db2.gz PHDFBQCQAVXQIT-UHFFFAOYSA-N 0 0 342.355 3.227 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000442678766 459023176 /nfs/dbraw/zinc/02/31/76/459023176.db2.gz KZNPNPVFHWLYPG-MFKMUULPSA-N 0 0 344.371 3.359 10 5 EGBERN CCCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000532137055 459035158 /nfs/dbraw/zinc/03/51/58/459035158.db2.gz AXLUQUPAVKQPHW-UHFFFAOYSA-N 0 0 339.355 3.461 10 5 EGBERN CC(C)(C)[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577537695 459047798 /nfs/dbraw/zinc/04/77/98/459047798.db2.gz NVDRSQAIQQNJTP-CQSZACIVSA-N 0 0 326.343 3.453 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000577577196 459052321 /nfs/dbraw/zinc/05/23/21/459052321.db2.gz XBLFKOMASZKASK-LBPRGKRZSA-N 0 0 338.367 3.199 10 5 EGBERN CCOc1cc(COc2cc(CCO)cc(OC)c2)ccc1[N+](=O)[O-] ZINC000594489843 459057553 /nfs/dbraw/zinc/05/75/53/459057553.db2.gz FTYSMGRDAKKEHQ-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN COc1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594521313 459078597 /nfs/dbraw/zinc/07/85/97/459078597.db2.gz UCNWRAHLUGLPLI-BXUZGUMPSA-N 0 0 348.321 3.193 10 5 EGBERN COc1ccc2c(c1)OCCN(c1c(OC)cccc1[N+](=O)[O-])C2 ZINC000594577819 459096626 /nfs/dbraw/zinc/09/66/26/459096626.db2.gz IEEGMJMHWKVMOP-UHFFFAOYSA-N 0 0 330.340 3.011 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc([N+](=O)[O-])c1C ZINC000532478363 459097416 /nfs/dbraw/zinc/09/74/16/459097416.db2.gz QYDWUMLUQZIMPI-JQFCIGGWSA-N 0 0 332.400 3.209 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cnc(C(F)(F)F)nc2)n1 ZINC000594586722 459099581 /nfs/dbraw/zinc/09/95/81/459099581.db2.gz BBHGMSRDEVOJOY-UHFFFAOYSA-N 0 0 327.266 3.028 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CC3)[C@H]3CCCCO3)cc2N1 ZINC000594589986 459101367 /nfs/dbraw/zinc/10/13/67/459101367.db2.gz HCHKTXKSHVRPPU-SJLPKXTDSA-N 0 0 345.399 3.239 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](COC)CC(C)(C)C)c1[N+](=O)[O-] ZINC000594602025 459106036 /nfs/dbraw/zinc/10/60/36/459106036.db2.gz WDWICJQPBJOVRY-LLVKDONJSA-N 0 0 339.392 3.030 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](COC)CC(C)(C)C)c1[N+](=O)[O-] ZINC000594602026 459106616 /nfs/dbraw/zinc/10/66/16/459106616.db2.gz WDWICJQPBJOVRY-NSHDSACASA-N 0 0 339.392 3.030 10 5 EGBERN COc1cc(C(=O)N2CC(F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000590442479 459130665 /nfs/dbraw/zinc/13/06/65/459130665.db2.gz FUZVOWKMILCRRH-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN Cc1c(NC(=O)c2cc(Cc3ccccc3)[nH]n2)cccc1[N+](=O)[O-] ZINC000567592256 459130722 /nfs/dbraw/zinc/13/07/22/459130722.db2.gz CQQULVHGFSDLNT-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN CNC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578066740 459140900 /nfs/dbraw/zinc/14/09/00/459140900.db2.gz DIYHDURDEFRMIF-AWEZNQCLSA-N 0 0 345.374 3.059 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000578095844 459143933 /nfs/dbraw/zinc/14/39/33/459143933.db2.gz IFULHHNZGAIMKL-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN C[C@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000479710448 459161218 /nfs/dbraw/zinc/16/12/18/459161218.db2.gz AAULMRGSWWANER-SCLBCKFNSA-N 0 0 349.431 3.286 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594888443 459167994 /nfs/dbraw/zinc/16/79/94/459167994.db2.gz YEBZEHVXPCCVSI-VNHYZAJKSA-N 0 0 325.368 3.255 10 5 EGBERN Cc1cccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000558943559 459224399 /nfs/dbraw/zinc/22/43/99/459224399.db2.gz XVBTZRBFOSOBCP-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN C[C@@](O)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000481348125 459247271 /nfs/dbraw/zinc/24/72/71/459247271.db2.gz PZEKJLZWFRANAK-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H]1[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000559349942 459254536 /nfs/dbraw/zinc/25/45/36/459254536.db2.gz VLEIGEYUROQPTI-DTWKUNHWSA-N 0 0 346.168 3.040 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2=CCCC2)cc1[N+](=O)[O-] ZINC000595204671 459257015 /nfs/dbraw/zinc/25/70/15/459257015.db2.gz UXAWVPQCDBDSJG-UHFFFAOYSA-N 0 0 345.399 3.057 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000496668602 459279738 /nfs/dbraw/zinc/27/97/38/459279738.db2.gz FGXMUEMGPKVYRB-NSHDSACASA-N 0 0 348.790 3.163 10 5 EGBERN Cc1noc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386370 459288362 /nfs/dbraw/zinc/28/83/62/459288362.db2.gz DOBUVEULSXGJQB-AWEZNQCLSA-N 0 0 347.346 3.268 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595465640 459312468 /nfs/dbraw/zinc/31/24/68/459312468.db2.gz PMZFIUYXUNNBSU-UHFFFAOYSA-N 0 0 329.347 3.118 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000568688541 459328777 /nfs/dbraw/zinc/32/87/77/459328777.db2.gz RZZGJVZPESPVFI-ZDUSSCGKSA-N 0 0 345.403 3.160 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544153 459341705 /nfs/dbraw/zinc/34/17/05/459341705.db2.gz MNTDWZMUANTTKM-BBRMVZONSA-N 0 0 349.431 3.469 10 5 EGBERN C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1[N+](=O)[O-] ZINC000595582307 459353797 /nfs/dbraw/zinc/35/37/97/459353797.db2.gz QXEWNNLYQAYGGO-GFCCVEGCSA-N 0 0 344.371 3.233 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000595616168 459369534 /nfs/dbraw/zinc/36/95/34/459369534.db2.gz POVISUCAGRLAOL-CYBMUJFWSA-N 0 0 343.383 3.394 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000591482766 459390620 /nfs/dbraw/zinc/39/06/20/459390620.db2.gz CFYPZFJVZQZLKJ-CYBMUJFWSA-N 0 0 333.388 3.123 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000497001399 459401271 /nfs/dbraw/zinc/40/12/71/459401271.db2.gz LWDNMOKGHVGFKD-LBPRGKRZSA-N 0 0 343.383 3.006 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C[C@@]1(F)c1ccccc1)OCCO2 ZINC000591640248 459416432 /nfs/dbraw/zinc/41/64/32/459416432.db2.gz ZBKMXTXBBNSOGG-QZTJIDSGSA-N 0 0 344.342 3.093 10 5 EGBERN COC(=O)c1cc(C)nc(N(Cc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000561142673 459423296 /nfs/dbraw/zinc/42/32/96/459423296.db2.gz RLDYJYTVLWMCJN-UHFFFAOYSA-N 0 0 341.367 3.254 10 5 EGBERN O=[N+]([O-])c1ccc(CCN2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595757246 459427747 /nfs/dbraw/zinc/42/77/47/459427747.db2.gz CAHWGVLKNYIODJ-GOSISDBHSA-N 0 0 330.359 3.350 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000541114761 459428435 /nfs/dbraw/zinc/42/84/35/459428435.db2.gz FRRWDJYFDZEKSA-UONOGXRCSA-N 0 0 336.388 3.387 10 5 EGBERN COc1cccc([C@@]2(C)CCN(Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770422 459433873 /nfs/dbraw/zinc/43/38/73/459433873.db2.gz VKUPRPKVUFTBGJ-KRWDZBQOSA-N 0 0 331.372 3.063 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(C)(C)C)on1 ZINC000525666396 459474083 /nfs/dbraw/zinc/47/40/83/459474083.db2.gz FNCZGQHVVBPRAI-JTQLQIEISA-N 0 0 329.356 3.472 10 5 EGBERN Cc1c(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595891949 459478736 /nfs/dbraw/zinc/47/87/36/459478736.db2.gz RNWNQRDXVDMWFJ-GXFFZTMASA-N 0 0 332.322 3.445 10 5 EGBERN CC(C)CC[NH+]1CCC(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000583087457 459480628 /nfs/dbraw/zinc/48/06/28/459480628.db2.gz VKFHVESMOJJHBC-UHFFFAOYSA-N 0 0 349.431 3.463 10 5 EGBERN O=C(CN1CC2CC1(c1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000595911910 459483067 /nfs/dbraw/zinc/48/30/67/459483067.db2.gz UJGUJMQMIPNZNK-UHFFFAOYSA-N 0 0 337.379 3.154 10 5 EGBERN CCc1cnc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000541771407 459489441 /nfs/dbraw/zinc/48/94/41/459489441.db2.gz ZRDSZLWQSQTEDE-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000541816753 459495097 /nfs/dbraw/zinc/49/50/97/459495097.db2.gz MOTDWYXDTUAXHP-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN CN(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000486252315 459495298 /nfs/dbraw/zinc/49/52/98/459495298.db2.gz KAPPFLWNQLUTOU-UHFFFAOYSA-N 0 0 346.431 3.101 10 5 EGBERN CN1CCO[C@@H](CSc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000591953760 459496410 /nfs/dbraw/zinc/49/64/10/459496410.db2.gz QOYKQTOEFQZWAH-SECBINFHSA-N 0 0 337.228 3.324 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000591958285 459496934 /nfs/dbraw/zinc/49/69/34/459496934.db2.gz RPCNAQRYXWLMID-YPMHNXCESA-N 0 0 335.404 3.102 10 5 EGBERN CCOC(=O)[C@@H]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596056390 459504075 /nfs/dbraw/zinc/50/40/75/459504075.db2.gz XNETXKYRTNLMSM-SNVBAGLBSA-N 0 0 342.779 3.036 10 5 EGBERN Cc1cc(NCc2ccc(CN3CCOCC3)cc2)c([N+](=O)[O-])s1 ZINC000596060590 459505492 /nfs/dbraw/zinc/50/54/92/459505492.db2.gz BUBJHXFWTNQJHK-UHFFFAOYSA-N 0 0 347.440 3.409 10 5 EGBERN COC(=O)c1cc(N2CC3(C[C@H]2C)CCOCC3)cc(C)c1[N+](=O)[O-] ZINC000591993281 459507390 /nfs/dbraw/zinc/50/73/90/459507390.db2.gz UZEWYXUFMYYUKY-CYBMUJFWSA-N 0 0 348.399 3.085 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000486531368 459507791 /nfs/dbraw/zinc/50/77/91/459507791.db2.gz HYEQPPDFDNAVGT-GJZGRUSLSA-N 0 0 346.427 3.148 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3c(F)cccc3Cl)C2)s1 ZINC000592007489 459509911 /nfs/dbraw/zinc/50/99/11/459509911.db2.gz WBNHRHXEKNAFNJ-JTQLQIEISA-N 0 0 343.767 3.422 10 5 EGBERN NC(=O)c1cc(N2CCC[C@@H]2Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000596081446 459512014 /nfs/dbraw/zinc/51/20/14/459512014.db2.gz XEJROAWBVMBRRU-CQSZACIVSA-N 0 0 343.358 3.044 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596089100 459516235 /nfs/dbraw/zinc/51/62/35/459516235.db2.gz VBZNKVGQLPCILL-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H]1c1ncon1 ZINC000596107666 459522912 /nfs/dbraw/zinc/52/29/12/459522912.db2.gz VELLSKPOHRZVPE-JTQLQIEISA-N 0 0 339.149 3.082 10 5 EGBERN COc1cc(N2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596109274 459524577 /nfs/dbraw/zinc/52/45/77/459524577.db2.gz USBUZLRDRCAACY-SNVBAGLBSA-N 0 0 336.779 3.364 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCC(F)CC1 ZINC000592109033 459525983 /nfs/dbraw/zinc/52/59/83/459525983.db2.gz WOHLGJYUNWIESG-UHFFFAOYSA-N 0 0 325.340 3.253 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H](OC)C(C)C)ccc1[N+](=O)[O-] ZINC000596145605 459536200 /nfs/dbraw/zinc/53/62/00/459536200.db2.gz RHHPONKALHQVOC-LLVKDONJSA-N 0 0 330.768 3.118 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596160609 459543619 /nfs/dbraw/zinc/54/36/19/459543619.db2.gz QXNWXHXZRUJADG-ZJUUUORDSA-N 0 0 342.779 3.262 10 5 EGBERN C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596168013 459545448 /nfs/dbraw/zinc/54/54/48/459545448.db2.gz NAORCDLFZHEWAZ-CHWSQXEVSA-N 0 0 328.372 3.154 10 5 EGBERN C[C@@H](NC(=O)NC[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000596168015 459545602 /nfs/dbraw/zinc/54/56/02/459545602.db2.gz NAORCDLFZHEWAZ-QWHCGFSZSA-N 0 0 328.372 3.154 10 5 EGBERN COC(=O)Cc1ccnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000596187546 459553520 /nfs/dbraw/zinc/55/35/20/459553520.db2.gz QHNOANDUALXMHO-UHFFFAOYSA-N 0 0 349.774 3.013 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596203446 459559830 /nfs/dbraw/zinc/55/98/30/459559830.db2.gz NJVHSOGFRYPZDS-LPEHRKFASA-N 0 0 342.779 3.037 10 5 EGBERN CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000596236794 459570686 /nfs/dbraw/zinc/57/06/86/459570686.db2.gz RCDORHGYLOORBM-GFCCVEGCSA-N 0 0 344.433 3.049 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)F)nc1OCc1ccccc1 ZINC000596246615 459573313 /nfs/dbraw/zinc/57/33/13/459573313.db2.gz FINYTZYGRWRGES-GFCCVEGCSA-N 0 0 335.310 3.413 10 5 EGBERN Cc1c(CN2C(=O)CC(C3CCCC3)CC2=O)cccc1[N+](=O)[O-] ZINC000596307630 459590848 /nfs/dbraw/zinc/59/08/48/459590848.db2.gz NODJWZGOJCHCRH-UHFFFAOYSA-N 0 0 330.384 3.359 10 5 EGBERN COC1CC(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596311723 459592247 /nfs/dbraw/zinc/59/22/47/459592247.db2.gz QSYWQSZWABGWLC-UHFFFAOYSA-N 0 0 342.399 3.009 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596311858 459592601 /nfs/dbraw/zinc/59/26/01/459592601.db2.gz FOBOJGYUMCSZJM-ZDUSSCGKSA-N 0 0 342.399 3.344 10 5 EGBERN CO[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596318570 459594722 /nfs/dbraw/zinc/59/47/22/459594722.db2.gz OLTIAGYUWDTKLT-NOZJJQNGSA-N 0 0 334.294 3.077 10 5 EGBERN COC[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCOCC1 ZINC000596331286 459598263 /nfs/dbraw/zinc/59/82/63/459598263.db2.gz XXOWIADBWUDOAK-ZDUSSCGKSA-N 0 0 348.321 3.467 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000596333830 459599198 /nfs/dbraw/zinc/59/91/98/459599198.db2.gz LICJYLGKXJIEFV-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN O=C(Nc1cccc(O)c1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542920104 459610778 /nfs/dbraw/zinc/61/07/78/459610778.db2.gz FTAZPLACVUHUHV-UHFFFAOYSA-N 0 0 342.229 3.293 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592516122 459620528 /nfs/dbraw/zinc/62/05/28/459620528.db2.gz XYXPJZAYXWPKII-YEZGLVMTSA-N 0 0 344.333 3.243 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000596443560 459637759 /nfs/dbraw/zinc/63/77/59/459637759.db2.gz OMYMJSQWQLDKBB-OKILXGFUSA-N 0 0 330.306 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@@H]2CC2(F)F)cc1C(F)(F)F ZINC000596446319 459638740 /nfs/dbraw/zinc/63/87/40/459638740.db2.gz DSQNYNCUZWFSJL-SNVBAGLBSA-N 0 0 326.221 3.450 10 5 EGBERN Cc1nc(N2CC3(CCOCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596445711 459638767 /nfs/dbraw/zinc/63/87/67/459638767.db2.gz HJQZPBMEUYDRJP-INIZCTEOSA-N 0 0 329.356 3.249 10 5 EGBERN CC[C@H](NC(=O)N1CCO[C@](C)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451830 459642022 /nfs/dbraw/zinc/64/20/22/459642022.db2.gz CKVIVCHFIWTJQM-WMZOPIPTSA-N 0 0 347.415 3.256 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000596481323 459651252 /nfs/dbraw/zinc/65/12/52/459651252.db2.gz AFXXSSLPECIQMY-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596496342 459656762 /nfs/dbraw/zinc/65/67/62/459656762.db2.gz CTIILJCSPQDMML-CALCHBBNSA-N 0 0 331.372 3.019 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)nc2c1 ZINC000573317122 459657736 /nfs/dbraw/zinc/65/77/36/459657736.db2.gz FANSPZOJPAUJRF-KBPBESRZSA-N 0 0 349.394 3.044 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592671168 459660440 /nfs/dbraw/zinc/66/04/40/459660440.db2.gz DTEHBURCLOWTAW-VIFPVBQESA-N 0 0 332.322 3.419 10 5 EGBERN COc1ccc(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592674348 459662044 /nfs/dbraw/zinc/66/20/44/459662044.db2.gz DOUQUYBFDPRCIC-HZPDHXFCSA-N 0 0 340.379 3.066 10 5 EGBERN Cc1cc([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)c(O)cc1Cl ZINC000596510926 459661981 /nfs/dbraw/zinc/66/19/81/459661981.db2.gz NDMKAHIGRHOXQP-SNVBAGLBSA-N 0 0 348.790 3.233 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1C[C@H](O)C12CCC2 ZINC000596512735 459662407 /nfs/dbraw/zinc/66/24/07/459662407.db2.gz SNFGACORJHFOHG-QWRGUYRKSA-N 0 0 327.178 3.073 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000596528175 459666575 /nfs/dbraw/zinc/66/65/75/459666575.db2.gz MHBZNYVYTWIJMN-KGLIPLIRSA-N 0 0 343.358 3.269 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000592697445 459670087 /nfs/dbraw/zinc/67/00/87/459670087.db2.gz WWIORCZGORKECK-PHIMTYICSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](CC(F)(F)F)O1 ZINC000596556259 459675477 /nfs/dbraw/zinc/67/54/77/459675477.db2.gz XHKATMRKGZCLNG-VHSXEESVSA-N 0 0 345.321 3.109 10 5 EGBERN CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCC1 ZINC000596559765 459677085 /nfs/dbraw/zinc/67/70/85/459677085.db2.gz OREFPNGKANCNBR-UHFFFAOYSA-N 0 0 339.367 3.240 10 5 EGBERN COC(=O)c1cc(N[C@@H](c2ccccc2)[C@H](C)O)cc(C)c1[N+](=O)[O-] ZINC000596567110 459679582 /nfs/dbraw/zinc/67/95/82/459679582.db2.gz OUDBRAMKSRURNQ-BLLLJJGKSA-N 0 0 344.367 3.224 10 5 EGBERN C[C@@]1(C(F)F)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596571432 459681090 /nfs/dbraw/zinc/68/10/90/459681090.db2.gz DQLIZGCIGSZNDN-LBPRGKRZSA-N 0 0 340.248 3.474 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000500578663 459686339 /nfs/dbraw/zinc/68/63/39/459686339.db2.gz DCBOQKKKTNPIBC-GJZGRUSLSA-N 0 0 327.384 3.390 10 5 EGBERN CC1(CC(F)F)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000592834097 459701889 /nfs/dbraw/zinc/70/18/89/459701889.db2.gz DHISSCYWIHKZNQ-UHFFFAOYSA-N 0 0 335.310 3.260 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000584293687 459702989 /nfs/dbraw/zinc/70/29/89/459702989.db2.gz PJCKMTWVSAWUJH-IUODEOHRSA-N 0 0 348.399 3.035 10 5 EGBERN Cc1ccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596627258 459703423 /nfs/dbraw/zinc/70/34/23/459703423.db2.gz XJXZZYFOQZVMKK-ZDUSSCGKSA-N 0 0 333.388 3.469 10 5 EGBERN CN(CC1CCOCC1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000573646042 459709896 /nfs/dbraw/zinc/70/98/96/459709896.db2.gz QIGSNRUVVMONLZ-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC=CCC1 ZINC000544114227 459727880 /nfs/dbraw/zinc/72/78/80/459727880.db2.gz GOVWDKFKRBKRDY-ZDUSSCGKSA-N 0 0 328.372 3.433 10 5 EGBERN CCc1cnccc1[C@@H](C)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022753 459743770 /nfs/dbraw/zinc/74/37/70/459743770.db2.gz JSVJJFNRGIGNOZ-GFCCVEGCSA-N 0 0 343.383 3.190 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000593021948 459743839 /nfs/dbraw/zinc/74/38/39/459743839.db2.gz ZSARJYPLPUBBCJ-GFCCVEGCSA-N 0 0 344.367 3.241 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000596817677 459769674 /nfs/dbraw/zinc/76/96/74/459769674.db2.gz QKGBKIQPBHMASX-HNNXBMFYSA-N 0 0 342.355 3.154 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596828913 459772930 /nfs/dbraw/zinc/77/29/30/459772930.db2.gz NMVLMYOLFMMFJB-MGCOHNPYSA-N 0 0 347.293 3.303 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596837337 459774386 /nfs/dbraw/zinc/77/43/86/459774386.db2.gz RVRRRFBHLNHHSE-CALCHBBNSA-N 0 0 333.388 3.102 10 5 EGBERN O=[N+]([O-])c1cc(OCc2ncccc2F)ccc1Br ZINC000584646779 459778227 /nfs/dbraw/zinc/77/82/27/459778227.db2.gz CSPVCBZQXNYJFC-UHFFFAOYSA-N 0 0 327.109 3.470 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)CC(F)(F)F ZINC000596869833 459783411 /nfs/dbraw/zinc/78/34/11/459783411.db2.gz RCFBNEIFSKCHHQ-UHFFFAOYSA-N 0 0 334.294 3.198 10 5 EGBERN Cc1c(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000593220473 459811432 /nfs/dbraw/zinc/81/14/32/459811432.db2.gz DFPUZDBLMJJCQO-IAQYHMDHSA-N 0 0 348.399 3.238 10 5 EGBERN CC[C@@H](OCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593249040 459820227 /nfs/dbraw/zinc/82/02/27/459820227.db2.gz FXHCALLDJJXIMW-GOSISDBHSA-N 0 0 342.395 3.421 10 5 EGBERN Cc1ccc(-c2noc(Cc3cn4c(n3)CCCC4)n2)cc1[N+](=O)[O-] ZINC000593295803 459832587 /nfs/dbraw/zinc/83/25/87/459832587.db2.gz TXJYPEXDUUJNOS-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CC[C@H](CSC)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093961 459836209 /nfs/dbraw/zinc/83/62/09/459836209.db2.gz AEMJOPXZDKHMGD-SECBINFHSA-N 0 0 346.840 3.436 10 5 EGBERN CSC[C@@H]1CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100200 459837097 /nfs/dbraw/zinc/83/70/97/459837097.db2.gz GNTROMRDYFXUQR-VIFPVBQESA-N 0 0 344.824 3.190 10 5 EGBERN CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103885 459837106 /nfs/dbraw/zinc/83/71/06/459837106.db2.gz LUZFSVQFAYJBAK-WCBMZHEXSA-N 0 0 326.784 3.483 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)OCC12CCC2 ZINC000593321462 459841683 /nfs/dbraw/zinc/84/16/83/459841683.db2.gz XEYXUPQJGNSHPP-NSHDSACASA-N 0 0 338.791 3.340 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(C(F)(F)F)nn1C ZINC000597128877 459845122 /nfs/dbraw/zinc/84/51/22/459845122.db2.gz NDMPRIOYQCHEGF-UHFFFAOYSA-N 0 0 342.321 3.022 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593330724 459847746 /nfs/dbraw/zinc/84/77/46/459847746.db2.gz LOKDJPDPOPMHEH-CQSZACIVSA-N 0 0 339.395 3.466 10 5 EGBERN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1cccc(Cl)c1 ZINC000545776546 459854403 /nfs/dbraw/zinc/85/44/03/459854403.db2.gz SSXIZAYSMCCYAC-ZDUSSCGKSA-N 0 0 346.730 3.429 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593361374 459863569 /nfs/dbraw/zinc/86/35/69/459863569.db2.gz XJNYXLJMLOTYCE-ZDUSSCGKSA-N 0 0 328.340 3.188 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369349 459867700 /nfs/dbraw/zinc/86/77/00/459867700.db2.gz BBLFFVQWYPXSIV-LRDDRELGSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586777206 459870049 /nfs/dbraw/zinc/87/00/49/459870049.db2.gz HZTXRLPEXPMQJU-KRTXAFLBSA-N 0 0 340.248 3.025 10 5 EGBERN CC1(C)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1(F)F ZINC000598341276 459872101 /nfs/dbraw/zinc/87/21/01/459872101.db2.gz RPSVDFQLVQFCMD-GFCCVEGCSA-N 0 0 335.310 3.164 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000598345848 459873989 /nfs/dbraw/zinc/87/39/89/459873989.db2.gz HCSUXAXIYSTBOS-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000598354055 459876888 /nfs/dbraw/zinc/87/68/88/459876888.db2.gz UYWCWQUORPCUDD-IRXDYDNUSA-N 0 0 346.358 3.222 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000598364418 459879696 /nfs/dbraw/zinc/87/96/96/459879696.db2.gz OFDDAFWWIPQLLZ-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccon2)CC1 ZINC000598400889 459890034 /nfs/dbraw/zinc/89/00/34/459890034.db2.gz RAKAXINOQBSSAW-UHFFFAOYSA-N 0 0 347.396 3.081 10 5 EGBERN Nc1cc(NCCCc2ccc(Cl)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587630514 459893397 /nfs/dbraw/zinc/89/33/97/459893397.db2.gz QINQPILCFTUZPV-UHFFFAOYSA-N 0 0 335.791 3.367 10 5 EGBERN Nc1cc(N[C@@H]2CCc3c2cccc3Cl)cc(CO)c1[N+](=O)[O-] ZINC000587455000 459893443 /nfs/dbraw/zinc/89/34/43/459893443.db2.gz RNYSMMASQLWCSM-OAHLLOKOSA-N 0 0 333.775 3.422 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOC1CCOCC1 ZINC000593464232 459897636 /nfs/dbraw/zinc/89/76/36/459897636.db2.gz HGURVHPUYJYUNU-UHFFFAOYSA-N 0 0 331.372 3.141 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H](C2CCOCC2)C1 ZINC000593465920 459897680 /nfs/dbraw/zinc/89/76/80/459897680.db2.gz RUOAZGSMPNBRJD-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000587987445 459897921 /nfs/dbraw/zinc/89/79/21/459897921.db2.gz UFAWGCOUBUXENF-UHFFFAOYSA-N 0 0 347.415 3.491 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCSC2(CCOCC2)C1 ZINC000593467189 459898078 /nfs/dbraw/zinc/89/80/78/459898078.db2.gz JUCXDCCWXIRGOK-UHFFFAOYSA-N 0 0 345.424 3.245 10 5 EGBERN CO[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000598437782 459898647 /nfs/dbraw/zinc/89/86/47/459898647.db2.gz PBRQRTFRNGHSHM-QGZVFWFLSA-N 0 0 345.399 3.401 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000598436993 459898697 /nfs/dbraw/zinc/89/86/97/459898697.db2.gz CDBSGDFYHXTNDQ-CYBMUJFWSA-N 0 0 326.418 3.290 10 5 EGBERN CC[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(C)c1 ZINC000587992862 459899026 /nfs/dbraw/zinc/89/90/26/459899026.db2.gz IZVKSNUFDQREGX-OAHLLOKOSA-N 0 0 345.399 3.247 10 5 EGBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000587992923 459899609 /nfs/dbraw/zinc/89/96/09/459899609.db2.gz QVTBTCHRESQJCR-ZDUSSCGKSA-N 0 0 330.344 3.043 10 5 EGBERN COc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)nc1 ZINC000593480782 459901765 /nfs/dbraw/zinc/90/17/65/459901765.db2.gz MJYWTTMZRMAUOY-UHFFFAOYSA-N 0 0 343.383 3.391 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598456542 459902620 /nfs/dbraw/zinc/90/26/20/459902620.db2.gz JXUPDPXZIWXYGG-VIFPVBQESA-N 0 0 346.305 3.159 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@]1(CO)CCc2ccccc21 ZINC000593485570 459903547 /nfs/dbraw/zinc/90/35/47/459903547.db2.gz ZIFUHTYGXVAZKA-LJQANCHMSA-N 0 0 342.395 3.030 10 5 EGBERN C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000597282427 459903783 /nfs/dbraw/zinc/90/37/83/459903783.db2.gz OROVAYRVONQSSU-PBHICJAKSA-N 0 0 334.416 3.239 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598466049 459903898 /nfs/dbraw/zinc/90/38/98/459903898.db2.gz RNRFEXAXVJAWEM-UHFFFAOYSA-N 0 0 325.315 3.487 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000597283968 459904335 /nfs/dbraw/zinc/90/43/35/459904335.db2.gz XPHYDXNDQJNRDX-YOEHRIQHSA-N 0 0 349.431 3.027 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)nc1C ZINC000598467300 459904566 /nfs/dbraw/zinc/90/45/66/459904566.db2.gz WTEFPOKMUNGPGI-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN CSc1ccccc1CN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588037490 459904873 /nfs/dbraw/zinc/90/48/73/459904873.db2.gz CQSTTZKKRCIIKZ-UHFFFAOYSA-N 0 0 333.413 3.028 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CC3)C3CCOCC3)c2c1 ZINC000593492444 459905835 /nfs/dbraw/zinc/90/58/35/459905835.db2.gz NSEHBGLMXWFOMZ-INIZCTEOSA-N 0 0 328.372 3.155 10 5 EGBERN CCOC(=O)c1cc(N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593493033 459905992 /nfs/dbraw/zinc/90/59/92/459905992.db2.gz UEOKHYATLROQHI-KRWDZBQOSA-N 0 0 348.399 3.389 10 5 EGBERN CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609122134 459906227 /nfs/dbraw/zinc/90/62/27/459906227.db2.gz NIXPWNBYYYBZIW-WDEREUQCSA-N 0 0 332.447 3.294 10 5 EGBERN CSc1cccc(F)c1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588062468 459908165 /nfs/dbraw/zinc/90/81/65/459908165.db2.gz UBDINPJFIOIHHU-UHFFFAOYSA-N 0 0 337.376 3.142 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3cccc(C)c3[N+](=O)[O-])C2)n(C)n1 ZINC000618173687 459921839 /nfs/dbraw/zinc/92/18/39/459921839.db2.gz QWUCUPKEOOWHRF-CQSZACIVSA-N 0 0 329.404 3.026 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598510784 459928003 /nfs/dbraw/zinc/92/80/03/459928003.db2.gz XKVUIDBVAYJPOE-MNOVXSKESA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598539936 459932862 /nfs/dbraw/zinc/93/28/62/459932862.db2.gz MUGKNPRSAFSPAD-JKDFXYPNSA-N 0 0 346.358 3.076 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598538361 459933275 /nfs/dbraw/zinc/93/32/75/459933275.db2.gz BHMYDEFHWRJHDZ-CXAGYDPISA-N 0 0 342.395 3.111 10 5 EGBERN C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597410733 459943803 /nfs/dbraw/zinc/94/38/03/459943803.db2.gz ZYNYPZBYFVBUAB-GFCCVEGCSA-N 0 0 327.388 3.252 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000598575054 459945707 /nfs/dbraw/zinc/94/57/07/459945707.db2.gz BCNCKNLQFYPXRP-HNNXBMFYSA-N 0 0 348.399 3.083 10 5 EGBERN CNc1c(C(=O)NCC(C)(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000598582531 459952230 /nfs/dbraw/zinc/95/22/30/459952230.db2.gz ZXUJDJMHFIGBBE-UHFFFAOYSA-N 0 0 333.310 3.345 10 5 EGBERN CC(C)c1ccc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000593696071 459956535 /nfs/dbraw/zinc/95/65/35/459956535.db2.gz CCFVLBIAZWUPDP-IAGOWNOFSA-N 0 0 334.416 3.096 10 5 EGBERN CC(C)c1ccc(CN2CCOC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000593702256 459957590 /nfs/dbraw/zinc/95/75/90/459957590.db2.gz KOSYSPMRPDTUQN-SFHVURJKSA-N 0 0 344.415 3.025 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598610371 459963563 /nfs/dbraw/zinc/96/35/63/459963563.db2.gz ADTQBKBXWBUGII-AWEZNQCLSA-N 0 0 338.429 3.022 10 5 EGBERN COC(=O)c1ccnc(N[C@@H]2CCCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000598625751 459966224 /nfs/dbraw/zinc/96/62/24/459966224.db2.gz SSPIMOTZFFLZAD-CQSZACIVSA-N 0 0 345.330 3.405 10 5 EGBERN CCS[C@@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000613921716 459967899 /nfs/dbraw/zinc/96/78/99/459967899.db2.gz BWBJDYSBCHNNRO-ZIAGYGMSSA-N 0 0 325.434 3.146 10 5 EGBERN COC(=O)c1ccnc(NC[C@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000598628030 459968820 /nfs/dbraw/zinc/96/88/20/459968820.db2.gz KMQBQYLESDRILK-JTQLQIEISA-N 0 0 345.380 3.078 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](c2ccco2)C1 ZINC000609529539 459975339 /nfs/dbraw/zinc/97/53/39/459975339.db2.gz RXLYSSXNSGOHEO-LLVKDONJSA-N 0 0 325.324 3.299 10 5 EGBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC12CCCC2 ZINC000593759496 459976559 /nfs/dbraw/zinc/97/65/59/459976559.db2.gz MMLGSFOIJDUHPD-UHFFFAOYSA-N 0 0 343.427 3.356 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000588784397 459983468 /nfs/dbraw/zinc/98/34/68/459983468.db2.gz JRIMEEHJPPIKMZ-JTQLQIEISA-N 0 0 349.131 3.275 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593792423 459988460 /nfs/dbraw/zinc/98/84/60/459988460.db2.gz POSWYJKUWNLKKA-QGZVFWFLSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1nc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)sc1C ZINC000618382291 459990289 /nfs/dbraw/zinc/99/02/89/459990289.db2.gz DTBFGSQIVYTZIH-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588851073 459991764 /nfs/dbraw/zinc/99/17/64/459991764.db2.gz CXYWJPMTWWVOJE-MEBBXXQBSA-N 0 0 326.343 3.453 10 5 EGBERN COc1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000609599045 459992350 /nfs/dbraw/zinc/99/23/50/459992350.db2.gz COXXFCMVMQFXCD-AWEZNQCLSA-N 0 0 344.367 3.225 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)CO1 ZINC000609663668 460005105 /nfs/dbraw/zinc/00/51/05/460005105.db2.gz VXPKKTNQABYYOK-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN Cc1cccc(COCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000598730563 460008989 /nfs/dbraw/zinc/00/89/89/460008989.db2.gz RCOYLAHJPKOOJG-UHFFFAOYSA-N 0 0 342.395 3.121 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000597616120 460009192 /nfs/dbraw/zinc/00/91/92/460009192.db2.gz HPDYFMWUVYWVDP-HOCLYGCPSA-N 0 0 325.368 3.140 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCOc2ccccc21 ZINC000588957479 460010698 /nfs/dbraw/zinc/01/06/98/460010698.db2.gz YARZKRBRNVIZBF-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593887602 460011178 /nfs/dbraw/zinc/01/11/78/460011178.db2.gz WWKASHADISZLQG-OAHLLOKOSA-N 0 0 339.342 3.045 10 5 EGBERN Cc1c(CN2C(=O)N[C@H](C3CCCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000593951999 460024902 /nfs/dbraw/zinc/02/49/02/460024902.db2.gz DJHXWPXJTIOAEJ-MRXNPFEDSA-N 0 0 345.399 3.294 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(C(C)(C)C)n1 ZINC000593960500 460029444 /nfs/dbraw/zinc/02/94/44/460029444.db2.gz CYPKQBXOWRFTIP-LLVKDONJSA-N 0 0 328.372 3.138 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000598828849 460055541 /nfs/dbraw/zinc/05/55/41/460055541.db2.gz RUOHDEHAMQFIRY-WPRPVWTQSA-N 0 0 332.278 3.367 10 5 EGBERN CCCN(C(=O)C[C@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000598842436 460061583 /nfs/dbraw/zinc/06/15/83/460061583.db2.gz OLWOYZGTRJJENV-AWEZNQCLSA-N 0 0 330.388 3.494 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000610166919 460074082 /nfs/dbraw/zinc/07/40/82/460074082.db2.gz ZYLZYRLTGUEMLP-LLVKDONJSA-N 0 0 335.278 3.188 10 5 EGBERN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCCO1 ZINC000594055284 460077035 /nfs/dbraw/zinc/07/70/35/460077035.db2.gz KEQWKTIVYJTYOU-DOMZBBRYSA-N 0 0 337.376 3.073 10 5 EGBERN CCCc1nccnc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598877409 460079941 /nfs/dbraw/zinc/07/99/41/460079941.db2.gz BKNPEJVFPJAMCZ-JTQLQIEISA-N 0 0 332.335 3.219 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ccccn2)c1 ZINC000597861992 460084485 /nfs/dbraw/zinc/08/44/85/460084485.db2.gz AHPUNJYAVGCWCI-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000594070287 460086218 /nfs/dbraw/zinc/08/62/18/460086218.db2.gz YETSNHVGRKLKHB-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCc2cccnc21 ZINC000594069476 460086270 /nfs/dbraw/zinc/08/62/70/460086270.db2.gz RZVVUZKQNXBKOZ-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)c1ccccn1 ZINC000597866628 460086798 /nfs/dbraw/zinc/08/67/98/460086798.db2.gz XMRRQDJNAOZVAY-LLVKDONJSA-N 0 0 333.775 3.485 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594072006 460087301 /nfs/dbraw/zinc/08/73/01/460087301.db2.gz MUHIJUUWEBZKCN-IAGOWNOFSA-N 0 0 347.415 3.104 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594074452 460088514 /nfs/dbraw/zinc/08/85/14/460088514.db2.gz VXNIHHNRYNLOPB-IRXDYDNUSA-N 0 0 332.400 3.235 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C(F)F)C2CCCCC2)c1[N+](=O)[O-] ZINC000598912623 460091761 /nfs/dbraw/zinc/09/17/61/460091761.db2.gz GDLDPBQVMHPCKW-LLVKDONJSA-N 0 0 344.362 3.385 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594081569 460093380 /nfs/dbraw/zinc/09/33/80/460093380.db2.gz RFCITJLWZLTXJY-JKSUJKDBSA-N 0 0 349.387 3.073 10 5 EGBERN CCCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000589495932 460094511 /nfs/dbraw/zinc/09/45/11/460094511.db2.gz LTXCRZITZLVGRA-UHFFFAOYSA-N 0 0 334.294 3.156 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccccc2F)c1 ZINC000589494419 460094622 /nfs/dbraw/zinc/09/46/22/460094622.db2.gz JHUGDONPNDBSJM-UHFFFAOYSA-N 0 0 332.331 3.153 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000598947678 460099376 /nfs/dbraw/zinc/09/93/76/460099376.db2.gz MPTZJUMIGWEWCJ-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000597919557 460111098 /nfs/dbraw/zinc/11/10/98/460111098.db2.gz NQSHLKSCIVEVDQ-GFCCVEGCSA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000597919574 460111236 /nfs/dbraw/zinc/11/12/36/460111236.db2.gz NVVMYLVUWHPRIS-ZDUSSCGKSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597922128 460111982 /nfs/dbraw/zinc/11/19/82/460111982.db2.gz ZAUUMSLKGNSKDF-ZDUSSCGKSA-N 0 0 340.807 3.112 10 5 EGBERN COc1c(C(=O)N2CCC(c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000597925562 460113750 /nfs/dbraw/zinc/11/37/50/460113750.db2.gz NRPRZSCKCAZNOO-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597923762 460114240 /nfs/dbraw/zinc/11/42/40/460114240.db2.gz PHTDFAJYONIBGD-AWEZNQCLSA-N 0 0 334.416 3.194 10 5 EGBERN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597943515 460121488 /nfs/dbraw/zinc/12/14/88/460121488.db2.gz BVKAZNZEHNZPBE-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](COC)CC(C)(C)C ZINC000594138112 460121967 /nfs/dbraw/zinc/12/19/67/460121967.db2.gz NEMYYZROVXVYIO-GFCCVEGCSA-N 0 0 338.404 3.175 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599000568 460122812 /nfs/dbraw/zinc/12/28/12/460122812.db2.gz MWUSOFMFQURVHA-ZIAGYGMSSA-N 0 0 335.404 3.080 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594142146 460124706 /nfs/dbraw/zinc/12/47/06/460124706.db2.gz XPTOTVPBYNGHOV-NEPJUHHUSA-N 0 0 340.395 3.405 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597952044 460124957 /nfs/dbraw/zinc/12/49/57/460124957.db2.gz OLTFNOBSWFRKHL-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(F)(F)F)o1 ZINC000594154241 460128973 /nfs/dbraw/zinc/12/89/73/460128973.db2.gz ORCZUUROKMUAMF-AWEZNQCLSA-N 0 0 342.273 3.459 10 5 EGBERN CC1(C)C[C@H](Sc2ncc(Br)cc2[N+](=O)[O-])CO1 ZINC000599125758 460168766 /nfs/dbraw/zinc/16/87/66/460168766.db2.gz QTRWVIJVSLMUGR-QMMMGPOBSA-N 0 0 333.207 3.412 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594178998 460138401 /nfs/dbraw/zinc/13/84/01/460138401.db2.gz FQAPKMRRQZIKCS-ZIAGYGMSSA-N 0 0 326.780 3.326 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC)[C@@H]1CCCCO1 ZINC000594180353 460139317 /nfs/dbraw/zinc/13/93/17/460139317.db2.gz ZGFVZODSMGDONX-OCCSQVGLSA-N 0 0 336.388 3.071 10 5 EGBERN COc1cc(C(=O)N2CCC(C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000597990360 460139709 /nfs/dbraw/zinc/13/97/09/460139709.db2.gz UDHFUEAWQOEBOE-UHFFFAOYSA-N 0 0 336.363 3.395 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000598015084 460144664 /nfs/dbraw/zinc/14/46/64/460144664.db2.gz QWZINRHLLHWRSE-LLVKDONJSA-N 0 0 346.412 3.143 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000599059189 460145645 /nfs/dbraw/zinc/14/56/45/460145645.db2.gz OQTYVXRTAGCODV-GJZGRUSLSA-N 0 0 327.384 3.396 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000594202122 460147978 /nfs/dbraw/zinc/14/79/78/460147978.db2.gz CUBZUIOIUXHMHB-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN CC(C)(C)OC(=O)CCCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000589864821 460153512 /nfs/dbraw/zinc/15/35/12/460153512.db2.gz LXEDERZRDWDAEZ-UHFFFAOYSA-N 0 0 345.399 3.489 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594212263 460153834 /nfs/dbraw/zinc/15/38/34/460153834.db2.gz LZWFIDBTRGULDR-VBNZEHGJSA-N 0 0 335.404 3.303 10 5 EGBERN Cn1nc2c(c1CNc1ccc3cnccc3c1[N+](=O)[O-])CCCC2 ZINC000599079321 460154179 /nfs/dbraw/zinc/15/41/79/460154179.db2.gz DOFVJLWBUZISQA-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN COC(=O)[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])CC1CC1 ZINC000599095834 460160618 /nfs/dbraw/zinc/16/06/18/460160618.db2.gz IJWCQYPZJCFHGC-ZDUSSCGKSA-N 0 0 329.356 3.144 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)c1 ZINC000599099676 460161456 /nfs/dbraw/zinc/16/14/56/460161456.db2.gz JDEAPZHZSSUDSZ-LLVKDONJSA-N 0 0 341.396 3.297 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599104487 460163333 /nfs/dbraw/zinc/16/33/33/460163333.db2.gz BSMRBAMBXNWVLX-ZDUSSCGKSA-N 0 0 329.356 3.144 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@H](n2cccn2)C(F)(F)F)c(F)c1 ZINC000599115788 460164883 /nfs/dbraw/zinc/16/48/83/460164883.db2.gz DELKPEYSZIZZCY-JTQLQIEISA-N 0 0 336.220 3.285 10 5 EGBERN Nc1cc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc(CO)c1[N+](=O)[O-] ZINC000599122574 460167138 /nfs/dbraw/zinc/16/71/38/460167138.db2.gz CRZKFYSQOJSSJY-NUEKZKHPSA-N 0 0 345.786 3.073 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599138511 460172333 /nfs/dbraw/zinc/17/23/33/460172333.db2.gz FZNVBPSDQVZOPB-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](c2ccccn2)C2CCC2)c([N+](=O)[O-])c1 ZINC000599138521 460172459 /nfs/dbraw/zinc/17/24/59/460172459.db2.gz DUXPBGAEGKXRMH-QGZVFWFLSA-N 0 0 340.383 3.303 10 5 EGBERN CNc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000598101527 460173763 /nfs/dbraw/zinc/17/37/63/460173763.db2.gz OGFWUWRARJZSKO-MEDUHNTESA-N 0 0 325.368 3.095 10 5 EGBERN CCC(F)(F)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000599148638 460176233 /nfs/dbraw/zinc/17/62/33/460176233.db2.gz JAFABPCFQRDHSD-UHFFFAOYSA-N 0 0 338.314 3.017 10 5 EGBERN CC[C@@H](NC(=O)NC(C)(C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610530822 460177981 /nfs/dbraw/zinc/17/79/81/460177981.db2.gz KSRGQSXIPVRXQA-OAHLLOKOSA-N 0 0 345.403 3.014 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594280939 460179952 /nfs/dbraw/zinc/17/99/52/460179952.db2.gz QLVQEAAWPSLKCE-SJORKVTESA-N 0 0 349.431 3.126 10 5 EGBERN CCC(F)(F)C(C)(C)CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000599156395 460181481 /nfs/dbraw/zinc/18/14/81/460181481.db2.gz YTFLSKQNNKRZSF-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN Cc1cc(N2CCO[C@H](CCF)C2)c(Br)cc1[N+](=O)[O-] ZINC000599169213 460185501 /nfs/dbraw/zinc/18/55/01/460185501.db2.gz RTFZOEKIXKZCRN-SNVBAGLBSA-N 0 0 347.184 3.231 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc1-c1ccc(F)cc1 ZINC000599196463 460196478 /nfs/dbraw/zinc/19/64/78/460196478.db2.gz RAXIHQKQZCKKEX-WBHUJUFNSA-N 0 0 343.358 3.146 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598185254 460198011 /nfs/dbraw/zinc/19/80/11/460198011.db2.gz IFQMSQKYSIQMQL-GOSISDBHSA-N 0 0 332.400 3.095 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203510 460198313 /nfs/dbraw/zinc/19/83/13/460198313.db2.gz ZPDYJEGJIIOSDQ-SCOBNMCVSA-N 0 0 338.429 3.181 10 5 EGBERN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000598196609 460200341 /nfs/dbraw/zinc/20/03/41/460200341.db2.gz HTDCCLCXCPUVOS-OAHLLOKOSA-N 0 0 345.330 3.115 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000598208245 460204535 /nfs/dbraw/zinc/20/45/35/460204535.db2.gz KXTNOHOHBBPDJV-KBMXLJTQSA-N 0 0 343.427 3.361 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598209120 460205027 /nfs/dbraw/zinc/20/50/27/460205027.db2.gz QUIFVAWAVOJTPR-KEYYUXOJSA-N 0 0 331.416 3.339 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598214876 460207537 /nfs/dbraw/zinc/20/75/37/460207537.db2.gz HCHGUMHHZPVDOB-AWEZNQCLSA-N 0 0 328.315 3.159 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000610660192 460207557 /nfs/dbraw/zinc/20/75/57/460207557.db2.gz HYKOIDBSOIVDEE-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000598215026 460207788 /nfs/dbraw/zinc/20/77/88/460207788.db2.gz GMCKDXRPROQYNB-NOZJJQNGSA-N 0 0 330.356 3.237 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000598218169 460208651 /nfs/dbraw/zinc/20/86/51/460208651.db2.gz ZWHFUASNJFAWKK-OCCSQVGLSA-N 0 0 336.388 3.069 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCCO1 ZINC000594410556 460209226 /nfs/dbraw/zinc/20/92/26/460209226.db2.gz JKIBUNITFIVBEB-GOEBONIOSA-N 0 0 331.372 3.154 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCCCO1 ZINC000594410526 460209485 /nfs/dbraw/zinc/20/94/85/460209485.db2.gz IVIIBGYZQBQWKH-WFASDCNBSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594417284 460211414 /nfs/dbraw/zinc/21/14/14/460211414.db2.gz IAZUPCAJIWZBOD-ZDUSSCGKSA-N 0 0 343.383 3.298 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000598226295 460212500 /nfs/dbraw/zinc/21/25/00/460212500.db2.gz DFECBJBSYPMKGA-ACJLOTCBSA-N 0 0 332.400 3.001 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000598228402 460214607 /nfs/dbraw/zinc/21/46/07/460214607.db2.gz ICLOQTIXKZBVQB-QGZVFWFLSA-N 0 0 330.340 3.000 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(CC(F)(F)F)C2)c(Br)c1 ZINC000610735143 460228424 /nfs/dbraw/zinc/22/84/24/460228424.db2.gz DHWXQYPJJDWMHG-UHFFFAOYSA-N 0 0 340.099 3.141 10 5 EGBERN CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610792048 460238623 /nfs/dbraw/zinc/23/86/23/460238623.db2.gz HDWQUPVORWOHNA-QGZVFWFLSA-N 0 0 325.368 3.385 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000610971893 460268940 /nfs/dbraw/zinc/26/89/40/460268940.db2.gz FFJOYSHSKGXPDA-UHFFFAOYSA-N 0 0 338.407 3.455 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000610978721 460270142 /nfs/dbraw/zinc/27/01/42/460270142.db2.gz LHSSJZKPRLJJOU-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3C(F)(F)F)n2)cc1 ZINC000599596799 460284989 /nfs/dbraw/zinc/28/49/89/460284989.db2.gz QYDKMPJNEHABTQ-NSHDSACASA-N 0 0 342.277 3.172 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC2(CC(F)C2)C1 ZINC000611077278 460286988 /nfs/dbraw/zinc/28/69/88/460286988.db2.gz KKIDCLJBTXBUJP-UHFFFAOYSA-N 0 0 347.371 3.292 10 5 EGBERN COC(=O)[C@](C)(NCc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599645015 460297032 /nfs/dbraw/zinc/29/70/32/460297032.db2.gz ZGKAFJXDMIPEDR-LJQANCHMSA-N 0 0 342.395 3.390 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1NCc1ccc(Cl)o1 ZINC000611227089 460311997 /nfs/dbraw/zinc/31/19/97/460311997.db2.gz DZSBUJFVZISLNM-UHFFFAOYSA-N 0 0 332.541 3.033 10 5 EGBERN CSc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccn1 ZINC000611246959 460316544 /nfs/dbraw/zinc/31/65/44/460316544.db2.gz MMRASQVENDNOGQ-UHFFFAOYSA-N 0 0 332.385 3.076 10 5 EGBERN Cc1sc(NC(=O)c2nn(C)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000611334856 460338519 /nfs/dbraw/zinc/33/85/19/460338519.db2.gz VCBPREAAFPTDOH-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599830587 460342881 /nfs/dbraw/zinc/34/28/81/460342881.db2.gz USPORDBVSTUCQB-RYUDHWBXSA-N 0 0 344.371 3.174 10 5 EGBERN COCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829627 460343358 /nfs/dbraw/zinc/34/33/58/460343358.db2.gz KDAIAGQCFGUGAT-UHFFFAOYSA-N 0 0 344.371 3.033 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H](C2CC2)C1 ZINC000599833069 460343794 /nfs/dbraw/zinc/34/37/94/460343794.db2.gz OBZRUZFYMDKAEV-LBPRGKRZSA-N 0 0 326.356 3.407 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834438 460344762 /nfs/dbraw/zinc/34/47/62/460344762.db2.gz JIPBNQBVQFLCRM-ZAQLIGFBSA-N 0 0 344.371 3.076 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834435 460344921 /nfs/dbraw/zinc/34/49/21/460344921.db2.gz JIPBNQBVQFLCRM-DJQAVVSRSA-N 0 0 344.371 3.076 10 5 EGBERN COCCC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599836191 460345360 /nfs/dbraw/zinc/34/53/60/460345360.db2.gz PLBNUZPLOURXCN-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN C[C@@H](COCC1CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835434 460345543 /nfs/dbraw/zinc/34/55/43/460345543.db2.gz WPFIHLWONFXGNX-NSHDSACASA-N 0 0 344.371 3.080 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599840304 460346274 /nfs/dbraw/zinc/34/62/74/460346274.db2.gz ROFXYEHNNQNPPX-NEPJUHHUSA-N 0 0 344.371 3.222 10 5 EGBERN CCOC(=O)[C@H](CNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000611370563 460346343 /nfs/dbraw/zinc/34/63/43/460346343.db2.gz VCZYTZQLZLJVKM-ZDUSSCGKSA-N 0 0 334.397 3.490 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000611371666 460347034 /nfs/dbraw/zinc/34/70/34/460347034.db2.gz XMKDSFTUAOVPSM-ZBEGNZNMSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611408057 460357014 /nfs/dbraw/zinc/35/70/14/460357014.db2.gz ILCBETFJXZUWRD-CZUORRHYSA-N 0 0 339.395 3.396 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000619526969 460374780 /nfs/dbraw/zinc/37/47/80/460374780.db2.gz LJHCVWOQHVCSKU-VXGBXAGGSA-N 0 0 331.347 3.410 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@H](F)C1 ZINC000611502041 460378894 /nfs/dbraw/zinc/37/88/94/460378894.db2.gz MGHMBIHFQJCARV-GBIKHYSHSA-N 0 0 343.786 3.255 10 5 EGBERN C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1F ZINC000611506240 460381443 /nfs/dbraw/zinc/38/14/43/460381443.db2.gz IYWYCDMZEGDCKF-ZFWWWQNUSA-N 0 0 349.406 3.018 10 5 EGBERN CCc1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000611515300 460385041 /nfs/dbraw/zinc/38/50/41/460385041.db2.gz DCRGVRFXOYMYRO-AWEZNQCLSA-N 0 0 346.387 3.276 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611576432 460406825 /nfs/dbraw/zinc/40/68/25/460406825.db2.gz NCQBVKFLKXRPHO-ZWNOBZJWSA-N 0 0 343.330 3.069 10 5 EGBERN COc1ccccc1OCCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611615922 460414712 /nfs/dbraw/zinc/41/47/12/460414712.db2.gz HRCHNWOISYUDCC-UHFFFAOYSA-N 0 0 331.372 3.496 10 5 EGBERN O=C(Nc1ccc2nccn2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611617556 460414914 /nfs/dbraw/zinc/41/49/14/460414914.db2.gz KTJVYRWRDMXFLN-UHFFFAOYSA-N 0 0 348.265 3.096 10 5 EGBERN CCc1n[nH]c(C(=O)NCc2ccccc2CC(C)C)c1[N+](=O)[O-] ZINC000600168073 460418039 /nfs/dbraw/zinc/41/80/39/460418039.db2.gz QVHNPOOYINWMDW-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN COCCC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000600178251 460421911 /nfs/dbraw/zinc/42/19/11/460421911.db2.gz IZRNONAUXUXKBR-UHFFFAOYSA-N 0 0 340.807 3.445 10 5 EGBERN CSc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000619790234 460445812 /nfs/dbraw/zinc/44/58/12/460445812.db2.gz CEJUCRLFSIVZPO-UHFFFAOYSA-N 0 0 346.412 3.418 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000619805925 460446861 /nfs/dbraw/zinc/44/68/61/460446861.db2.gz WWRFRTAQGJHGDH-BXUZGUMPSA-N 0 0 333.367 3.058 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000619871405 460458720 /nfs/dbraw/zinc/45/87/20/460458720.db2.gz GTUZZOFJRAVRJP-FZMZJTMJSA-N 0 0 331.759 3.177 10 5 EGBERN O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600301783 460466826 /nfs/dbraw/zinc/46/68/26/460466826.db2.gz LDHUNMRHEZNKSG-INIZCTEOSA-N 0 0 329.331 3.400 10 5 EGBERN CCCOc1cncc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000600365371 460483440 /nfs/dbraw/zinc/48/34/40/460483440.db2.gz GKNHENOMCXEVQW-UHFFFAOYSA-N 0 0 345.355 3.105 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000600370296 460485795 /nfs/dbraw/zinc/48/57/95/460485795.db2.gz MMZFHAHSWSEATN-MRXNPFEDSA-N 0 0 342.395 3.458 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[C@H]1CC=CCC1 ZINC000600394789 460489138 /nfs/dbraw/zinc/48/91/38/460489138.db2.gz SCGVWROSNXTROT-AWEZNQCLSA-N 0 0 330.384 3.420 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000611988496 460502746 /nfs/dbraw/zinc/50/27/46/460502746.db2.gz PLUMLLIWUZAAON-KRZKBDHCSA-N 0 0 346.412 3.478 10 5 EGBERN COC(=O)[C@@](C)(NC(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600525301 460511556 /nfs/dbraw/zinc/51/15/56/460511556.db2.gz BNOQGOZOSVKTJS-SFHVURJKSA-N 0 0 348.399 3.070 10 5 EGBERN CCCc1cncc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601201681 460748610 /nfs/dbraw/zinc/74/86/10/460748610.db2.gz QIRMFVUNYBXMSB-UHFFFAOYSA-N 0 0 330.266 3.487 10 5 EGBERN CCn1nc(C)c(CN(C)c2cc(OC)c([N+](=O)[O-])cc2F)c1C ZINC000601208831 460750554 /nfs/dbraw/zinc/75/05/54/460750554.db2.gz MZGDBIICABQYEU-UHFFFAOYSA-N 0 0 336.367 3.212 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCC(Cc3nccs3)CC1)CCN2 ZINC000601216326 460753235 /nfs/dbraw/zinc/75/32/35/460753235.db2.gz POMKNQCWUNTIKO-UHFFFAOYSA-N 0 0 344.440 3.478 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000601224035 460756930 /nfs/dbraw/zinc/75/69/30/460756930.db2.gz XDSNZBDFAKZJON-NQMVMOMDSA-N 0 0 328.752 3.013 10 5 EGBERN O=C(NCC1([C@@H]2CCCCO2)CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000601239975 460761984 /nfs/dbraw/zinc/76/19/84/460761984.db2.gz UCKDMGCKYYZEEA-HNNXBMFYSA-N 0 0 333.388 3.456 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4occc4s3)n2)nc1 ZINC000612969855 460788977 /nfs/dbraw/zinc/78/89/77/460788977.db2.gz FOYOSRMDBGVCJV-UHFFFAOYSA-N 0 0 328.309 3.438 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(C(F)F)CCC1 ZINC000601413831 460806903 /nfs/dbraw/zinc/80/69/03/460806903.db2.gz KBRGIKSKTDTVMJ-UHFFFAOYSA-N 0 0 332.734 3.342 10 5 EGBERN C[C@@H]1C[C@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601431931 460809794 /nfs/dbraw/zinc/80/97/94/460809794.db2.gz TXBHPQAZKXVKMF-HUUCEWRRSA-N 0 0 346.427 3.338 10 5 EGBERN C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1nccs1 ZINC000601438614 460811634 /nfs/dbraw/zinc/81/16/34/460811634.db2.gz CSGMKXIUJGDGOQ-LBPRGKRZSA-N 0 0 345.424 3.393 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601540208 460827474 /nfs/dbraw/zinc/82/74/74/460827474.db2.gz FJDCWWDKQDORTH-KRWDZBQOSA-N 0 0 332.400 3.044 10 5 EGBERN CON1CCC(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000601565808 460834687 /nfs/dbraw/zinc/83/46/87/460834687.db2.gz PODMOVHZRCOIHE-UHFFFAOYSA-N 0 0 335.404 3.104 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCCc3ccccc32)n1 ZINC000617378613 460837538 /nfs/dbraw/zinc/83/75/38/460837538.db2.gz DYZUSADPSBZGQG-UHFFFAOYSA-N 0 0 328.372 3.184 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H](C)O1 ZINC000601643171 460854886 /nfs/dbraw/zinc/85/48/86/460854886.db2.gz DMENWCDZJKTILG-CXUGXGMPSA-N 0 0 347.415 3.050 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601653623 460858015 /nfs/dbraw/zinc/85/80/15/460858015.db2.gz BWDAHZNMJPPSAY-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601653649 460858079 /nfs/dbraw/zinc/85/80/79/460858079.db2.gz BZEPPZXKIJTBCR-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000601661063 460860781 /nfs/dbraw/zinc/86/07/81/460860781.db2.gz UWDLICIMVJWPDS-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2nccs2)CC1 ZINC000601743939 460888247 /nfs/dbraw/zinc/88/82/47/460888247.db2.gz WRKUTZSLLYAKJI-UHFFFAOYSA-N 0 0 337.426 3.208 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(CCF)CC1 ZINC000601747631 460889104 /nfs/dbraw/zinc/88/91/04/460889104.db2.gz QGYDNKWPEGSLEI-UHFFFAOYSA-N 0 0 347.346 3.060 10 5 EGBERN C[C@@H](C(=O)N1CCC(CCF)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000601747284 460889748 /nfs/dbraw/zinc/88/97/48/460889748.db2.gz LOYXDBXBLYXBPH-LLVKDONJSA-N 0 0 326.343 3.436 10 5 EGBERN C[C@@](CO)(NC(=O)C1=CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601779418 460896200 /nfs/dbraw/zinc/89/62/00/460896200.db2.gz RKXTWMQJAPGVBF-SFHVURJKSA-N 0 0 332.400 3.055 10 5 EGBERN CC(C)(C(=O)Nc1cnn2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000601829752 460914115 /nfs/dbraw/zinc/91/41/15/460914115.db2.gz NMWSRDSSMZVQAT-UHFFFAOYSA-N 0 0 328.372 3.044 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000601869701 460931526 /nfs/dbraw/zinc/93/15/26/460931526.db2.gz JVZZDWKXAHPHAU-GOSISDBHSA-N 0 0 342.399 3.172 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000601876274 460933702 /nfs/dbraw/zinc/93/37/02/460933702.db2.gz HYDMIOFDOWCKQY-IRXDYDNUSA-N 0 0 346.427 3.336 10 5 EGBERN CC(=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1O ZINC000558062045 517368666 /nfs/dbraw/zinc/36/86/66/517368666.db2.gz UBTCWEAFDXBGKC-UHFFFAOYSA-N 0 0 339.307 3.237 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000187041540 534605248 /nfs/dbraw/zinc/60/52/48/534605248.db2.gz DRDJAWMRIRJQDO-OAHLLOKOSA-N 0 0 347.396 3.102 10 5 EGBERN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000175113297 527976865 /nfs/dbraw/zinc/97/68/65/527976865.db2.gz BCFWRUJNEMBPDN-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN CC(C)[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174745781 528415678 /nfs/dbraw/zinc/41/56/78/528415678.db2.gz TWQBBZBJDIWYEZ-CYBMUJFWSA-N 0 0 335.404 3.192 10 5 EGBERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177944429 528822318 /nfs/dbraw/zinc/82/23/18/528822318.db2.gz DDDBAYZFSOEBGS-PXAZEXFGSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000171425352 528942122 /nfs/dbraw/zinc/94/21/22/528942122.db2.gz SHAHXGBQJKMHDJ-CJNGLKHVSA-N 0 0 335.404 3.082 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170943732 536901732 /nfs/dbraw/zinc/90/17/32/536901732.db2.gz PPQGYBZJPKRILR-SJORKVTESA-N 0 0 340.379 3.366 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c2c1 ZINC000344787373 536962051 /nfs/dbraw/zinc/96/20/51/536962051.db2.gz SBFKMZWZZAYAIQ-UHFFFAOYSA-N 0 0 332.341 3.102 10 5 EGBERN O=C(OCc1ccnc(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000726201224 574545251 /nfs/dbraw/zinc/54/52/51/574545251.db2.gz WHKPWAMQPOIWCE-UHFFFAOYSA-N 0 0 331.715 3.482 10 5 EGBERN COc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC000748197286 574603978 /nfs/dbraw/zinc/60/39/78/574603978.db2.gz CLJWVAZLWOXYDC-UHFFFAOYSA-N 0 0 337.715 3.319 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(F)c1 ZINC000728202210 574729464 /nfs/dbraw/zinc/72/94/64/574729464.db2.gz WDVWPZAFVFZYMT-LLVKDONJSA-N 0 0 329.331 3.124 10 5 EGBERN C[C@@H]1C[C@H]1COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000729089502 574813079 /nfs/dbraw/zinc/81/30/79/574813079.db2.gz VYRCYBCQSHATND-BDAKNGLRSA-N 0 0 333.262 3.349 10 5 EGBERN Cc1sc(C(=O)OCc2cn3c(cccc3C)n2)cc1[N+](=O)[O-] ZINC000730039111 574910482 /nfs/dbraw/zinc/91/04/82/574910482.db2.gz KOIGCLDHILJKFG-UHFFFAOYSA-N 0 0 331.353 3.278 10 5 EGBERN COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1[N+](=O)[O-] ZINC000730270988 574964747 /nfs/dbraw/zinc/96/47/47/574964747.db2.gz GZJONHGVBYNUHC-UHFFFAOYSA-N 0 0 328.284 3.065 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000730643898 575008205 /nfs/dbraw/zinc/00/82/05/575008205.db2.gz VQWXJWGNNFYUQQ-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN CCc1nc(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])cs1 ZINC000730805224 575022377 /nfs/dbraw/zinc/02/23/77/575022377.db2.gz DYGVJQZYTHXBIF-FNORWQNLSA-N 0 0 347.396 3.412 10 5 EGBERN CC[C@H](CCOC)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000754582147 575061172 /nfs/dbraw/zinc/06/11/72/575061172.db2.gz GZJBAVZXZQMFOK-DGCLKSJQSA-N 0 0 327.402 3.434 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)C1CCCC1 ZINC000731553024 575081251 /nfs/dbraw/zinc/08/12/51/575081251.db2.gz FWMJRSZLXJWFEG-KRWDZBQOSA-N 0 0 329.356 3.266 10 5 EGBERN O=C(COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000731695169 575200225 /nfs/dbraw/zinc/20/02/25/575200225.db2.gz SOVMHNNCXBFLMA-UHFFFAOYSA-N 0 0 340.335 3.474 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000731993710 575229981 /nfs/dbraw/zinc/22/99/81/575229981.db2.gz JISOHXUVBBJEJQ-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)nc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000733097924 575308433 /nfs/dbraw/zinc/30/84/33/575308433.db2.gz QYMQNAWHODFJQE-JTQLQIEISA-N 0 0 348.790 3.200 10 5 EGBERN O=C(C[C@H]1OCCc2ccccc21)OCc1csc([N+](=O)[O-])c1 ZINC000734608881 575527172 /nfs/dbraw/zinc/52/71/72/575527172.db2.gz RSTPDNIFKMXEDO-CQSZACIVSA-N 0 0 333.365 3.404 10 5 EGBERN CCC/C=C/C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000735218884 575617253 /nfs/dbraw/zinc/61/72/53/575617253.db2.gz UXNAOTCXXATENJ-MCRQLQJRSA-N 0 0 346.383 3.099 10 5 EGBERN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000735487541 575668643 /nfs/dbraw/zinc/66/86/43/575668643.db2.gz MVWIVBIWARKQQG-ZDUSSCGKSA-N 0 0 338.408 3.341 10 5 EGBERN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736312189 575932422 /nfs/dbraw/zinc/93/24/22/575932422.db2.gz QXSWJAMSXZUBGY-INIZCTEOSA-N 0 0 332.331 3.080 10 5 EGBERN CC[C@H](C)C(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000756426388 576122694 /nfs/dbraw/zinc/12/26/94/576122694.db2.gz OQIZWAMKUREJRT-QMMMGPOBSA-N 0 0 344.161 3.129 10 5 EGBERN CC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000743020371 576800028 /nfs/dbraw/zinc/80/00/28/576800028.db2.gz OOVHTKZVAPDATO-CQSZACIVSA-N 0 0 347.444 3.383 10 5 EGBERN CCC(C)(C)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000744331936 576825692 /nfs/dbraw/zinc/82/56/92/576825692.db2.gz HIZMGRFKNRQHHU-UHFFFAOYSA-N 0 0 336.388 3.024 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000072497470 1292277695 /nfs/dbraw/zinc/27/76/95/1292277695.db2.gz AVDJCIWYTLQYAK-UHFFFAOYSA-N 0 0 343.261 3.183 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178354893 1294729866 /nfs/dbraw/zinc/72/98/66/1294729866.db2.gz ZQHVYAKGTNYVNT-HUUCEWRRSA-N 0 0 343.427 3.457 10 5 EGBERN CN(CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178496817 1294738784 /nfs/dbraw/zinc/73/87/84/1294738784.db2.gz QWWZHNCNOUNHJE-UHFFFAOYSA-N 0 0 343.811 3.205 10 5 EGBERN C/C(=C/c1ccc(Cl)cc1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000179202296 1294778891 /nfs/dbraw/zinc/77/88/91/1294778891.db2.gz KARWBOVZJABTCL-FLIBITNWSA-N 0 0 335.747 3.091 10 5 EGBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000179290175 1294783255 /nfs/dbraw/zinc/78/32/55/1294783255.db2.gz BCSXWCPSQAMWHT-CQSZACIVSA-N 0 0 334.759 3.366 10 5 EGBERN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000869959976 1295563074 /nfs/dbraw/zinc/56/30/74/1295563074.db2.gz IXTSMRMHIDRPPW-WOSRLPQWSA-N 0 0 337.372 3.031 10 5 EGBERN Cc1csc2nc(CC(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])cn12 ZINC000869980392 1295572168 /nfs/dbraw/zinc/57/21/68/1295572168.db2.gz CCLJCIDJOAVYDO-NSHDSACASA-N 0 0 345.380 3.459 10 5 EGBERN CC(C)(C)c1csc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000870059295 1295621530 /nfs/dbraw/zinc/62/15/30/1295621530.db2.gz ZWUSGPKSSCFPOR-UHFFFAOYSA-N 0 0 348.380 3.389 10 5 EGBERN C/C(=C\C(=O)Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000870694127 1296024105 /nfs/dbraw/zinc/02/41/05/1296024105.db2.gz ADDZBDQAZNWMKE-ZRDIBKRKSA-N 0 0 326.356 3.170 10 5 EGBERN C[C@]1(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000870828269 1296105878 /nfs/dbraw/zinc/10/58/78/1296105878.db2.gz NMBPVBRUXHARNV-VCJLRHCSSA-N 0 0 348.186 3.012 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000870828033 1296105963 /nfs/dbraw/zinc/10/59/63/1296105963.db2.gz JWCUSQXDSZLOES-DISOXQEGSA-N 0 0 333.388 3.254 10 5 EGBERN Cc1cc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000870827553 1296106335 /nfs/dbraw/zinc/10/63/35/1296106335.db2.gz ALZSKHPXJPBJDB-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN C[C@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000870830207 1296107580 /nfs/dbraw/zinc/10/75/80/1296107580.db2.gz WPXMMIGTPYKPEZ-LKSINWNRSA-N 0 0 347.346 3.371 10 5 EGBERN C[C@H](Cc1ccc(F)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830231 1296107878 /nfs/dbraw/zinc/10/78/78/1296107878.db2.gz XXLGIRICASOOJW-OLQXHTCTSA-N 0 0 347.346 3.056 10 5 EGBERN Cc1ccsc1[C@H]1C[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830353 1296108095 /nfs/dbraw/zinc/10/80/95/1296108095.db2.gz ZTKYJKIVWDHELC-AKUTZHFWSA-N 0 0 347.396 3.212 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000870879640 1296127217 /nfs/dbraw/zinc/12/72/17/1296127217.db2.gz FVHYNCUUDXDZRP-VAWYXSNFSA-N 0 0 340.383 3.249 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@@H]1CCCS1 ZINC000871029607 1296184900 /nfs/dbraw/zinc/18/49/00/1296184900.db2.gz FGFOFHWFBMIIAK-LBPRGKRZSA-N 0 0 328.821 3.193 10 5 EGBERN O=C(NCC1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000871041569 1296193280 /nfs/dbraw/zinc/19/32/80/1296193280.db2.gz PTVKLEALGFOFHX-HNNXBMFYSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871123184 1296234898 /nfs/dbraw/zinc/23/48/98/1296234898.db2.gz NNFUMRAOMSQXPN-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000871200094 1296270264 /nfs/dbraw/zinc/27/02/64/1296270264.db2.gz MUAAURYNWXJLPD-XMMJMSBPSA-N 0 0 344.411 3.150 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000871214802 1296279434 /nfs/dbraw/zinc/27/94/34/1296279434.db2.gz SCWPTCPXCJZCAA-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871338293 1296360635 /nfs/dbraw/zinc/36/06/35/1296360635.db2.gz FQGITMKUPWBSJE-MRXNPFEDSA-N 0 0 332.400 3.088 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871337959 1296360713 /nfs/dbraw/zinc/36/07/13/1296360713.db2.gz WQSXXRHUVMZEDH-HNNXBMFYSA-N 0 0 347.415 3.200 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CNc2ccn(CCF)n2)c1 ZINC000871861596 1296575267 /nfs/dbraw/zinc/57/52/67/1296575267.db2.gz DSSOHTUONWHDBF-UHFFFAOYSA-N 0 0 332.257 3.392 10 5 EGBERN COc1ccccc1[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046279 1296696632 /nfs/dbraw/zinc/69/66/32/1296696632.db2.gz WAXCRAJXYWVILD-FZMZJTMJSA-N 0 0 334.347 3.127 10 5 EGBERN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079457 1296722974 /nfs/dbraw/zinc/72/29/74/1296722974.db2.gz YRJQRKUTHYPCOQ-NEPJUHHUSA-N 0 0 346.362 3.115 10 5 EGBERN COC(=O)Cc1ccccc1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084957 1296725481 /nfs/dbraw/zinc/72/54/81/1296725481.db2.gz MCUASYXWACRXDR-GFCCVEGCSA-N 0 0 346.358 3.300 10 5 EGBERN C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090505 1296728334 /nfs/dbraw/zinc/72/83/34/1296728334.db2.gz QHIZFTZRRBFYBJ-BZNIZROVSA-N 0 0 343.358 3.211 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000873574950 1297599184 /nfs/dbraw/zinc/59/91/84/1297599184.db2.gz QFZDXTQTWLFQTL-DOMZBBRYSA-N 0 0 337.372 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000873577271 1297602399 /nfs/dbraw/zinc/60/23/99/1297602399.db2.gz ZXGYYWAJAQZMSK-SWLSCSKDSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000878979484 1300299442 /nfs/dbraw/zinc/29/94/42/1300299442.db2.gz RAXCDMDUISAXIB-UHFFFAOYSA-N 0 0 348.399 3.264 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)OC1 ZINC000881514444 1301590045 /nfs/dbraw/zinc/59/00/45/1301590045.db2.gz XWRYEAPOUYXLGU-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000881538481 1301604291 /nfs/dbraw/zinc/60/42/91/1301604291.db2.gz KREUWTULOBEQSB-QWHCGFSZSA-N 0 0 326.343 3.496 10 5 EGBERN CC(=O)c1c(NCCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000881872488 1301747821 /nfs/dbraw/zinc/74/78/21/1301747821.db2.gz KEZSPUYUZAPWMT-UHFFFAOYSA-N 0 0 333.388 3.002 10 5 EGBERN CC(=O)c1c(NCCc2cnc(C3CC3)nc2)cccc1[N+](=O)[O-] ZINC000882133981 1301842656 /nfs/dbraw/zinc/84/26/56/1301842656.db2.gz IAVBTHBQSNTXKB-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)ccc1[N+](=O)[O-] ZINC000884699406 1302956062 /nfs/dbraw/zinc/95/60/62/1302956062.db2.gz BUDQOXRISRGZBR-MTKHPJAWSA-N 0 0 348.399 3.182 10 5 EGBERN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ncco1 ZINC000886540934 1303492760 /nfs/dbraw/zinc/49/27/60/1303492760.db2.gz MZZRPIHSLZYXDF-MRVPVSSYSA-N 0 0 326.150 3.196 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000887552448 1303852745 /nfs/dbraw/zinc/85/27/45/1303852745.db2.gz YQYKXJCXMZACGU-GSTOJPGVSA-N 0 0 332.400 3.056 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@]1(C)C1CC1 ZINC000890588209 1304826065 /nfs/dbraw/zinc/82/60/65/1304826065.db2.gz MIPJIKCPNTXQHO-YLZCUGDYSA-N 0 0 330.384 3.026 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000890771358 1304876696 /nfs/dbraw/zinc/87/66/96/1304876696.db2.gz QBYSODGQPRFJCS-MLGOLLRUSA-N 0 0 340.383 3.080 10 5 EGBERN C[C@@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000893509981 1305940685 /nfs/dbraw/zinc/94/06/85/1305940685.db2.gz AQFMQKBDPLEZOJ-GUYCJALGSA-N 0 0 349.383 3.306 10 5 EGBERN CSc1ccc(C(=O)O[C@@H]2CCn3c(C)cnc32)cc1[N+](=O)[O-] ZINC000893514545 1305943277 /nfs/dbraw/zinc/94/32/77/1305943277.db2.gz CDSOUXUJOLDXQH-GFCCVEGCSA-N 0 0 333.369 3.123 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893534297 1305955714 /nfs/dbraw/zinc/95/57/14/1305955714.db2.gz QCLDIMVICJYVGG-OAHLLOKOSA-N 0 0 341.367 3.210 10 5 EGBERN CCSCc1cccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893951227 1306143470 /nfs/dbraw/zinc/14/34/70/1306143470.db2.gz FFBNZYIPJCJVBX-UHFFFAOYSA-N 0 0 331.397 3.424 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000894001764 1306172632 /nfs/dbraw/zinc/17/26/32/1306172632.db2.gz JVIKNMBOPRUWPR-QGZVFWFLSA-N 0 0 346.427 3.193 10 5 EGBERN CC(C)(C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000894498262 1308923432 /nfs/dbraw/zinc/92/34/32/1308923432.db2.gz VEWVNBUARMADFZ-CYBMUJFWSA-N 0 0 334.416 3.194 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000894669808 1309014979 /nfs/dbraw/zinc/01/49/79/1309014979.db2.gz AEEFEOJGKIEHEO-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1ccc(CN(CCCC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000895062973 1309174494 /nfs/dbraw/zinc/17/44/94/1309174494.db2.gz IEBSNCLWZFIYHY-UHFFFAOYSA-N 0 0 348.403 3.308 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000895213057 1309242486 /nfs/dbraw/zinc/24/24/86/1309242486.db2.gz SQEYPIRWQAPLTK-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1n[nH]c2c1COCC2 ZINC000895741188 1309497973 /nfs/dbraw/zinc/49/79/73/1309497973.db2.gz DOZDWRIILDAMSU-UHFFFAOYSA-N 0 0 342.277 3.022 10 5 EGBERN CC(=O)c1ccc(NCC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000896113389 1309705008 /nfs/dbraw/zinc/70/50/08/1309705008.db2.gz ZDEPDMWWUUEEQE-CYBMUJFWSA-N 0 0 333.310 3.092 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc4cnccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000897020106 1310139659 /nfs/dbraw/zinc/13/96/59/1310139659.db2.gz XRPPJJAQXMCGIV-FIRUKDTASA-N 0 0 341.367 3.143 10 5 EGBERN CC(=O)c1ccc(NCC[C@H](NC2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000897227709 1310231101 /nfs/dbraw/zinc/23/11/01/1310231101.db2.gz GAPAGHUARDRTDC-AWEZNQCLSA-N 0 0 345.321 3.282 10 5 EGBERN CC(=O)c1ccc(NCC[C@@H](NC2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000897227710 1310231440 /nfs/dbraw/zinc/23/14/40/1310231440.db2.gz GAPAGHUARDRTDC-CQSZACIVSA-N 0 0 345.321 3.282 10 5 EGBERN Nc1c(C(=O)N2CC[C@H]2C(F)(F)F)cc2ccccc2c1[N+](=O)[O-] ZINC000897797639 1310472016 /nfs/dbraw/zinc/47/20/16/1310472016.db2.gz RSOJFVXDRVMNSG-NSHDSACASA-N 0 0 339.273 3.107 10 5 EGBERN C[C@@H](C(=O)N[C@@H](C)c1cc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000898394868 1310709622 /nfs/dbraw/zinc/70/96/22/1310709622.db2.gz PUFWGWBIKWKBGF-OLZOCXBDSA-N 0 0 342.399 3.109 10 5 EGBERN Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000857571197 1328550039 /nfs/dbraw/zinc/55/00/39/1328550039.db2.gz AOUQARPEQCZHKX-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN COC(=O)C1(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)CC2(CCC2)C1 ZINC000857603910 1328562054 /nfs/dbraw/zinc/56/20/54/1328562054.db2.gz JERVADGOBWUZQZ-UHFFFAOYSA-N 0 0 347.367 3.070 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c1F ZINC000857666620 1328579891 /nfs/dbraw/zinc/57/98/91/1328579891.db2.gz HYOZYEBFYUVHGJ-LBPRGKRZSA-N 0 0 336.363 3.216 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(F)c1F ZINC000857697046 1328586569 /nfs/dbraw/zinc/58/65/69/1328586569.db2.gz LWYROMFKWZFUEE-NSHDSACASA-N 0 0 335.310 3.475 10 5 EGBERN COc1cc(N[C@H]2CCCc3nn(C)cc32)c(Cl)cc1[N+](=O)[O-] ZINC000857899208 1328619172 /nfs/dbraw/zinc/61/91/72/1328619172.db2.gz ZJDDADWSBJACNW-NSHDSACASA-N 0 0 336.779 3.480 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000899936704 1317202941 /nfs/dbraw/zinc/20/29/41/1317202941.db2.gz FCZQJZDBSYTGHK-ZDUSSCGKSA-N 0 0 347.415 3.187 10 5 EGBERN CCOC(=O)N1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858316915 1328735932 /nfs/dbraw/zinc/73/59/32/1328735932.db2.gz DKPKJUDRMCULHS-UHFFFAOYSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858514998 1328785791 /nfs/dbraw/zinc/78/57/91/1328785791.db2.gz YRUPSAWBELJJSU-NSHDSACASA-N 0 0 346.387 3.468 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384835 1319019998 /nfs/dbraw/zinc/01/99/98/1319019998.db2.gz HUFBBDIYHQOGKH-SNVBAGLBSA-N 0 0 346.786 3.191 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385713 1319021615 /nfs/dbraw/zinc/02/16/15/1319021615.db2.gz BVRWWOQBCNJADH-NMSKTSORSA-N 0 0 344.770 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cn[nH]c2)c(Br)c1 ZINC000858619997 1328812741 /nfs/dbraw/zinc/81/27/41/1328812741.db2.gz VDBKGBZGCRZRCS-GFCCVEGCSA-N 0 0 337.177 3.422 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000914238466 1319273701 /nfs/dbraw/zinc/27/37/01/1319273701.db2.gz FOQGNJTVZGUZFY-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000858653040 1328818432 /nfs/dbraw/zinc/81/84/32/1328818432.db2.gz JOXNXRFQXMCPPA-BRLPQQTGSA-N 0 0 334.372 3.010 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000914786104 1319377965 /nfs/dbraw/zinc/37/79/65/1319377965.db2.gz NCCPIHCNIUZYHV-WAFBPQNNSA-N 0 0 330.340 3.417 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCSC2(CCC2)C1 ZINC000915089652 1319419749 /nfs/dbraw/zinc/41/97/49/1319419749.db2.gz HFADZZCRUULVGR-ZDUSSCGKSA-N 0 0 335.429 3.212 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)c(F)cc21 ZINC000915604145 1319505778 /nfs/dbraw/zinc/50/57/78/1319505778.db2.gz BZDSFYWAWGIDDH-UTCJRWHESA-N 0 0 330.290 3.476 10 5 EGBERN COc1cc(C(=O)O[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000917522094 1319826275 /nfs/dbraw/zinc/82/62/75/1319826275.db2.gz VSPINBCONWAREA-OAHLLOKOSA-N 0 0 343.335 3.456 10 5 EGBERN O=c1c2ccccc2n(C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000917758973 1319867990 /nfs/dbraw/zinc/86/79/90/1319867990.db2.gz CICZFTHIPOPADA-RNCFNFMXSA-N 0 0 342.273 3.020 10 5 EGBERN C[C@]1(Cc2cccs2)CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930621705 1328917779 /nfs/dbraw/zinc/91/77/79/1328917779.db2.gz VWQMFZSEDQWDHA-MRXNPFEDSA-N 0 0 346.412 3.102 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000919065119 1322025240 /nfs/dbraw/zinc/02/52/40/1322025240.db2.gz NFOBVZSQOIXOCF-UHFFFAOYSA-N 0 0 344.323 3.173 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000919722818 1322098756 /nfs/dbraw/zinc/09/87/56/1322098756.db2.gz UMKMIJDICATLOM-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)NCc1cccc([N+](=O)[O-])c1 ZINC000930920794 1329007281 /nfs/dbraw/zinc/00/72/81/1329007281.db2.gz IESOYHJABNLBAS-CHWSQXEVSA-N 0 0 346.305 3.101 10 5 EGBERN Cn1nc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000859564672 1329018952 /nfs/dbraw/zinc/01/89/52/1329018952.db2.gz LARMNNHYFSVJOB-UHFFFAOYSA-N 0 0 337.763 3.003 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859565908 1329019316 /nfs/dbraw/zinc/01/93/16/1329019316.db2.gz TXWFAFILLPFBBF-UHFFFAOYSA-N 0 0 336.779 3.031 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921679457 1322377135 /nfs/dbraw/zinc/37/71/35/1322377135.db2.gz DIQHFTJSNJTYEB-MRXNPFEDSA-N 0 0 349.431 3.126 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000921807372 1322401203 /nfs/dbraw/zinc/40/12/03/1322401203.db2.gz PJPLFAXPVGHTSD-DXCKQFNASA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000921807992 1322401523 /nfs/dbraw/zinc/40/15/23/1322401523.db2.gz WVHUTQUOYBFSQU-WCABBAIRSA-N 0 0 331.294 3.153 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCCCO2)CC1 ZINC000922069833 1322448336 /nfs/dbraw/zinc/44/83/36/1322448336.db2.gz QTNJECOLZBNZQX-UHFFFAOYSA-N 0 0 348.399 3.169 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000922432564 1322528335 /nfs/dbraw/zinc/52/83/35/1322528335.db2.gz RGTWQZZYHYUJBF-GHMZBOCLSA-N 0 0 337.225 3.001 10 5 EGBERN CCc1onc(C)c1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000922474425 1322536596 /nfs/dbraw/zinc/53/65/96/1322536596.db2.gz CJGQMRCJXFGABK-UHFFFAOYSA-N 0 0 332.356 3.475 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922645414 1322578722 /nfs/dbraw/zinc/57/87/22/1322578722.db2.gz JSZOWTPSPKMGJD-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(CCC(F)F)OCc1cc([N+](=O)[O-])ccc1Br ZINC000922686823 1322590305 /nfs/dbraw/zinc/59/03/05/1322590305.db2.gz JTRQLQGCJIVYKL-UHFFFAOYSA-N 0 0 338.104 3.446 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000923720129 1322796264 /nfs/dbraw/zinc/79/62/64/1322796264.db2.gz BCGHLNHLCSWTKU-STQMWFEESA-N 0 0 347.289 3.181 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000923913944 1322845688 /nfs/dbraw/zinc/84/56/88/1322845688.db2.gz WQUVLNDHTJYMEN-AWEZNQCLSA-N 0 0 349.431 3.296 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@H]1CCC2(CCC2)O1 ZINC000923964459 1322857451 /nfs/dbraw/zinc/85/74/51/1322857451.db2.gz ZNZPTMNJODDKPP-CQSZACIVSA-N 0 0 337.347 3.311 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1CCCOC1 ZINC000923967932 1322859045 /nfs/dbraw/zinc/85/90/45/1322859045.db2.gz TWXBUIXGECGBQF-NSHDSACASA-N 0 0 327.764 3.151 10 5 EGBERN Cc1cnc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC000923968231 1322859692 /nfs/dbraw/zinc/85/96/92/1322859692.db2.gz XYVMRVIIQVIDCD-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924048023 1322883946 /nfs/dbraw/zinc/88/39/46/1322883946.db2.gz KUCNMVFHJSDDDW-CJNGLKHVSA-N 0 0 347.415 3.304 10 5 EGBERN COC[C@@H](C)Cc1noc(CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000924111171 1322903705 /nfs/dbraw/zinc/90/37/05/1322903705.db2.gz FJBRWGWSCQHZIX-JTQLQIEISA-N 0 0 339.779 3.241 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931139261 1329058582 /nfs/dbraw/zinc/05/85/82/1329058582.db2.gz BHOOHBMYAXJZAA-IRXDYDNUSA-N 0 0 338.363 3.296 10 5 EGBERN C[C@H](OC(=O)C[C@@H]1CC=CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000924240980 1322949362 /nfs/dbraw/zinc/94/93/62/1322949362.db2.gz XMICMMLKPDJDAD-QWHCGFSZSA-N 0 0 332.356 3.211 10 5 EGBERN COc1ccc(COC(=O)C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000924332448 1322986423 /nfs/dbraw/zinc/98/64/23/1322986423.db2.gz QOAQBHHEYHELMT-NSHDSACASA-N 0 0 329.299 3.472 10 5 EGBERN CC(C)(c1nc(-c2cnn(CCF)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000924402689 1323009063 /nfs/dbraw/zinc/00/90/63/1323009063.db2.gz XPMWOPAFGPMOAT-UHFFFAOYSA-N 0 0 345.334 3.137 10 5 EGBERN C[C@H](CNC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000931437572 1329117367 /nfs/dbraw/zinc/11/73/67/1329117367.db2.gz SVHHAYPTFZQBOH-NOZJJQNGSA-N 0 0 345.321 3.338 10 5 EGBERN CC[C@@H](C)C(=O)COC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999563 1329125382 /nfs/dbraw/zinc/12/53/82/1329125382.db2.gz SPCGSPCLDAUOPC-MRVPVSSYSA-N 0 0 344.161 3.129 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000859999726 1329125413 /nfs/dbraw/zinc/12/54/13/1329125413.db2.gz GOWKGABDRPBHFY-CABZTGNLSA-N 0 0 347.596 3.038 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000931493998 1329130492 /nfs/dbraw/zinc/13/04/92/1329130492.db2.gz CBDUEOBGFCKFKE-OAHLLOKOSA-N 0 0 333.388 3.380 10 5 EGBERN CCC(CC)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860086915 1329142839 /nfs/dbraw/zinc/14/28/39/1329142839.db2.gz DBUJCSPLMXIYBL-KRWDZBQOSA-N 0 0 330.384 3.275 10 5 EGBERN CCC(CC)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860086917 1329143009 /nfs/dbraw/zinc/14/30/09/1329143009.db2.gz DBUJCSPLMXIYBL-QGZVFWFLSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860119270 1329151216 /nfs/dbraw/zinc/15/12/16/1329151216.db2.gz UFMPEIHOEBBASX-CABZTGNLSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000926316766 1325514968 /nfs/dbraw/zinc/51/49/68/1325514968.db2.gz NJTIYEYRUOSEIX-VXGBXAGGSA-N 0 0 347.293 3.216 10 5 EGBERN COc1cc(COC(=O)C[C@@H](C)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000860323351 1329304857 /nfs/dbraw/zinc/30/48/57/1329304857.db2.gz KEHIFWUYWOIEFE-SSDOTTSWSA-N 0 0 339.241 3.374 10 5 EGBERN C[C@@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000860325921 1329305217 /nfs/dbraw/zinc/30/52/17/1329305217.db2.gz OWOJCHXFJSQLNC-ZETCQYMHSA-N 0 0 337.225 3.048 10 5 EGBERN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860460870 1329320100 /nfs/dbraw/zinc/32/01/00/1329320100.db2.gz ARTWNVXGSSFXNZ-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860993909 1329376626 /nfs/dbraw/zinc/37/66/26/1329376626.db2.gz GEVXYPUZFMEZNK-CYBMUJFWSA-N 0 0 342.395 3.371 10 5 EGBERN C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCS1 ZINC000927247139 1327931235 /nfs/dbraw/zinc/93/12/35/1327931235.db2.gz MOBMVVBVWMTGMX-GXTWGEPZSA-N 0 0 337.445 3.063 10 5 EGBERN Cc1cc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000861066385 1329384573 /nfs/dbraw/zinc/38/45/73/1329384573.db2.gz SLRKMLXLXRKXFH-LBPRGKRZSA-N 0 0 347.396 3.226 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927292483 1327960550 /nfs/dbraw/zinc/96/05/50/1327960550.db2.gz GSHPYIZYAUDPLB-ZDUSSCGKSA-N 0 0 346.280 3.030 10 5 EGBERN Cc1c(NC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927427865 1328022200 /nfs/dbraw/zinc/02/22/00/1328022200.db2.gz CCGQZWWIAKSFJV-CZUORRHYSA-N 0 0 333.388 3.230 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]23C[C@H]2CCCC3)cc1OC ZINC000927462229 1328033837 /nfs/dbraw/zinc/03/38/37/1328033837.db2.gz MUIIOTYYGZQRSI-XIKOKIGWSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCS[C@H](C(F)(F)F)C2)c1C ZINC000928144458 1328216481 /nfs/dbraw/zinc/21/64/81/1328216481.db2.gz XMHYTPGGKDSUQX-NSHDSACASA-N 0 0 348.346 3.332 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928368738 1328291475 /nfs/dbraw/zinc/29/14/75/1328291475.db2.gz YAXKZRQJGXJBMK-CQSZACIVSA-N 0 0 348.790 3.267 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C1CCC1 ZINC000928665757 1328387634 /nfs/dbraw/zinc/38/76/34/1328387634.db2.gz XJDBDFHBPKJEHN-UHFFFAOYSA-N 0 0 345.330 3.029 10 5 EGBERN O=C(/C=C/[C@@H]1CCOC1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446484 1329419039 /nfs/dbraw/zinc/41/90/39/1329419039.db2.gz VEXAYDSLXDJYMN-KYEIKLFCSA-N 0 0 345.273 3.334 10 5 EGBERN C[C@@H](CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929007219 1328487312 /nfs/dbraw/zinc/48/73/12/1328487312.db2.gz YTZHBKTVOZXAFQ-ZDUSSCGKSA-N 0 0 345.399 3.295 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000929117615 1328509122 /nfs/dbraw/zinc/50/91/22/1328509122.db2.gz ASWRFFDDKHBYFK-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@H]1CC1CCC1 ZINC000861844102 1329445194 /nfs/dbraw/zinc/44/51/94/1329445194.db2.gz IYHNRJCTORHMAN-GFCCVEGCSA-N 0 0 338.791 3.279 10 5 EGBERN C[C@@H](CO)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862175708 1329464291 /nfs/dbraw/zinc/46/42/91/1329464291.db2.gz SSYLQFMUMVNUII-SCLBCKFNSA-N 0 0 342.395 3.371 10 5 EGBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862863246 1329515826 /nfs/dbraw/zinc/51/58/26/1329515826.db2.gz AENCBRFPPZESQN-MFKMUULPSA-N 0 0 333.171 3.199 10 5 EGBERN C/C(=C/C(=O)NC(C)(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000863375908 1329550367 /nfs/dbraw/zinc/55/03/67/1329550367.db2.gz IEYVFNGDCKVXJN-QXMHVHEDSA-N 0 0 348.399 3.235 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000863604677 1329566440 /nfs/dbraw/zinc/56/64/40/1329566440.db2.gz ZEKHJWTXWQDEMU-ZJUUUORDSA-N 0 0 337.426 3.409 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000863817109 1329583664 /nfs/dbraw/zinc/58/36/64/1329583664.db2.gz HEQISEVANVPBOR-KXMPLOMGSA-N 0 0 346.412 3.418 10 5 EGBERN CC1(C)CC[C@@H](CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])OC1 ZINC000865289158 1329683479 /nfs/dbraw/zinc/68/34/79/1329683479.db2.gz YULCQNUJLWVXBS-ZDUSSCGKSA-N 0 0 338.429 3.132 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@@H]2CC3(CO2)CCOCC3)ccc1Cl ZINC000865367301 1329689523 /nfs/dbraw/zinc/68/95/23/1329689523.db2.gz APIYWKFJYFVAHQ-LBPRGKRZSA-N 0 0 327.764 3.213 10 5 EGBERN NC(=O)C1CCC(Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865527399 1329709477 /nfs/dbraw/zinc/70/94/77/1329709477.db2.gz DBSQZLXFRUJVCM-UHFFFAOYSA-N 0 0 332.187 3.358 10 5 EGBERN C[C@H](O)c1ccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000865853305 1329745731 /nfs/dbraw/zinc/74/57/31/1329745731.db2.gz FPPUZRDNLJKJHX-BBRMVZONSA-N 0 0 327.384 3.427 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000865985728 1329756797 /nfs/dbraw/zinc/75/67/97/1329756797.db2.gz JLLGTULNYVUDHV-NSHDSACASA-N 0 0 335.429 3.042 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H]2c3ccccc3OC[C@H]2CO)c(Cl)c1 ZINC000934211298 1329956053 /nfs/dbraw/zinc/95/60/53/1329956053.db2.gz HCCMMXAYCXBHQW-SJKOYZFVSA-N 0 0 348.786 3.080 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])o1 ZINC000866117756 1330066943 /nfs/dbraw/zinc/06/69/43/1330066943.db2.gz FTATXZWPPXZZQU-LLVKDONJSA-N 0 0 334.347 3.315 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccc4cccnc4n3)C2)n1 ZINC000866130658 1330068359 /nfs/dbraw/zinc/06/83/59/1330068359.db2.gz WXLIMGYUYXPOQY-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN CCC(CC)(CNc1ccc2ncc([N+](=O)[O-])n2n1)C(F)(F)F ZINC000866134344 1330069177 /nfs/dbraw/zinc/06/91/77/1330069177.db2.gz VSIZZSAGSSJIQN-UHFFFAOYSA-N 0 0 331.298 3.418 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC34CCOCC4)c21 ZINC000866174552 1330073654 /nfs/dbraw/zinc/07/36/54/1330073654.db2.gz KIRZTVTULBEAIW-LBPRGKRZSA-N 0 0 328.372 3.157 10 5 EGBERN Cc1ccc(CNc2ccc(OCC(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000866182170 1330074734 /nfs/dbraw/zinc/07/47/34/1330074734.db2.gz URBYEUUBVQMCGA-UHFFFAOYSA-N 0 0 342.277 3.246 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000866200652 1330077691 /nfs/dbraw/zinc/07/76/91/1330077691.db2.gz JYJBAXJWAZQZPG-UWVGGRQHSA-N 0 0 341.205 3.014 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CSC[C@H]3C2)cc1OC(F)F ZINC000866202544 1330077834 /nfs/dbraw/zinc/07/78/34/1330077834.db2.gz BVRDIJKVSISXCH-VHSXEESVSA-N 0 0 330.356 3.386 10 5 EGBERN COc1ccccc1[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000866231630 1330081276 /nfs/dbraw/zinc/08/12/76/1330081276.db2.gz GFSBMOQDCMSABB-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000866233252 1330081593 /nfs/dbraw/zinc/08/15/93/1330081593.db2.gz KLJIYXMODHNZDC-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN COc1ccc([C@@H]2CN(c3cc(OC)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233355 1330081631 /nfs/dbraw/zinc/08/16/31/1330081631.db2.gz FMYISKYQTPARIN-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccc([C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233257 1330081832 /nfs/dbraw/zinc/08/18/32/1330081832.db2.gz DYGMSQYVBZGKNC-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2cncc(C)c2)c1 ZINC000866276968 1330089483 /nfs/dbraw/zinc/08/94/83/1330089483.db2.gz GNEGGARTHLQBOA-HNNXBMFYSA-N 0 0 341.367 3.426 10 5 EGBERN Cc1cncc([C@@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000866279271 1330089912 /nfs/dbraw/zinc/08/99/12/1330089912.db2.gz NNPUURNKDKXJJU-LBPRGKRZSA-N 0 0 329.385 3.349 10 5 EGBERN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2c1CN(C)C2=O ZINC000866373949 1330103235 /nfs/dbraw/zinc/10/32/35/1330103235.db2.gz YDUBDANMEXGAJZ-NSHDSACASA-N 0 0 343.358 3.363 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403491 1330107478 /nfs/dbraw/zinc/10/74/78/1330107478.db2.gz QNYOCXBUQMWZAU-CJNGLKHVSA-N 0 0 346.456 3.151 10 5 EGBERN Cc1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000867343795 1330194874 /nfs/dbraw/zinc/19/48/74/1330194874.db2.gz QQCCBNCSSGBKPX-LLVKDONJSA-N 0 0 346.362 3.391 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1scnc1C(F)F ZINC000868252968 1330264653 /nfs/dbraw/zinc/26/46/53/1330264653.db2.gz NXAGMCQTIOLYOC-UHFFFAOYSA-N 0 0 341.339 3.304 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000868309005 1330269021 /nfs/dbraw/zinc/26/90/21/1330269021.db2.gz GFNYNSITNAAJBO-WMLDXEAASA-N 0 0 349.431 3.126 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000868617308 1330300452 /nfs/dbraw/zinc/30/04/52/1330300452.db2.gz BLLDLHLLQUKWDY-SJKOYZFVSA-N 0 0 341.367 3.225 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000868655269 1330306634 /nfs/dbraw/zinc/30/66/34/1330306634.db2.gz MLSWXIDKBAYQBY-ZLIFDBKOSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1cccnc1CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868670605 1330311770 /nfs/dbraw/zinc/31/17/70/1330311770.db2.gz PKYPQSMTUPZBGK-UHFFFAOYSA-N 0 0 342.399 3.039 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868749840 1330331489 /nfs/dbraw/zinc/33/14/89/1330331489.db2.gz VAGCATPLTRBFRE-IRXDYDNUSA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000869053006 1330403351 /nfs/dbraw/zinc/40/33/51/1330403351.db2.gz HFLHVOZTGHKELF-CYBMUJFWSA-N 0 0 328.372 3.201 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000869069674 1330408524 /nfs/dbraw/zinc/40/85/24/1330408524.db2.gz IZAKVQFEXPJPPB-HUUCEWRRSA-N 0 0 328.343 3.196 10 5 EGBERN CC(C)[C@H]1N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC12CC=CC2 ZINC000869114750 1330416978 /nfs/dbraw/zinc/41/69/78/1330416978.db2.gz QZESQVHACWUMGH-QGZVFWFLSA-N 0 0 332.375 3.480 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cncc2c1CCCC2 ZINC000869227085 1330441824 /nfs/dbraw/zinc/44/18/24/1330441824.db2.gz FVXYEJCKOLRKGG-UHFFFAOYSA-N 0 0 329.331 3.189 10 5 EGBERN CCCCC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000869299771 1330457114 /nfs/dbraw/zinc/45/71/14/1330457114.db2.gz WWTMXKMZPHMLJF-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN CC1(C)CO[C@H](COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000869458457 1330504387 /nfs/dbraw/zinc/50/43/87/1330504387.db2.gz RHZMOFMSKQPGHW-NSHDSACASA-N 0 0 330.340 3.115 10 5 EGBERN Cc1ccc(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)N2)cc1[N+](=O)[O-] ZINC000869520883 1330516270 /nfs/dbraw/zinc/51/62/70/1330516270.db2.gz QQHWELIDQSGOIK-WCQYABFASA-N 0 0 346.305 3.019 10 5 EGBERN Cc1ccc(COC(=O)c2ccc3c(n2)CCCN3)cc1[N+](=O)[O-] ZINC000869547484 1330521357 /nfs/dbraw/zinc/52/13/57/1330521357.db2.gz UANRXEVUNQJAKQ-UHFFFAOYSA-N 0 0 327.340 3.013 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000869601437 1330531264 /nfs/dbraw/zinc/53/12/64/1330531264.db2.gz WPYHYYYGNUHMPY-SECBINFHSA-N 0 0 346.355 3.069 10 5 EGBERN O=C(COC(=O)C1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000869810248 1330568420 /nfs/dbraw/zinc/56/84/20/1330568420.db2.gz GQQLNBWXIQDNDW-MRXNPFEDSA-N 0 0 347.367 3.060 10 5 EGBERN O=C(OCC1CCC(=O)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809742 1330568539 /nfs/dbraw/zinc/56/85/39/1330568539.db2.gz AAWLCGBRKYTEGA-UHFFFAOYSA-N 0 0 331.368 3.319 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000869899164 1330586014 /nfs/dbraw/zinc/58/60/14/1330586014.db2.gz SCLSTZWNRVJUIX-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](c2ncccn2)C1 ZINC000952995788 1334633384 /nfs/dbraw/zinc/63/33/84/1334633384.db2.gz YSZYJVDAGQMPSK-SNVBAGLBSA-N 0 0 338.289 3.398 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001183837662 1387357588 /nfs/dbraw/zinc/35/75/88/1387357588.db2.gz ZRNXDKITGPYHRJ-UHFFFAOYSA-N 0 0 345.746 3.334 10 5 EGBERN CCn1cccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001183879308 1387365322 /nfs/dbraw/zinc/36/53/22/1387365322.db2.gz VMBNEOPBOFHQEU-UHFFFAOYSA-N 0 0 325.328 3.059 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)nc(=O)[nH]1 ZINC001184767466 1387533056 /nfs/dbraw/zinc/53/30/56/1387533056.db2.gz PNRDBIUTCWYAPX-UHFFFAOYSA-N 0 0 329.143 3.034 10 5 EGBERN COc1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001184810908 1387543733 /nfs/dbraw/zinc/54/37/33/1387543733.db2.gz BXFWVEQMHIOBDB-KRWDZBQOSA-N 0 0 339.351 3.297 10 5 EGBERN COC(=O)c1ccnc(N[C@@H](C)Cc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC001185354798 1387691126 /nfs/dbraw/zinc/69/11/26/1387691126.db2.gz QLWCAIIUYZWSJO-ZDUSSCGKSA-N 0 0 343.383 3.436 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185438367 1387717446 /nfs/dbraw/zinc/71/74/46/1387717446.db2.gz FINSVJPGZYKFIL-KRWDZBQOSA-N 0 0 335.379 3.303 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC001185747093 1387788976 /nfs/dbraw/zinc/78/89/76/1387788976.db2.gz YBOUROVRLFCCMB-UHFFFAOYSA-N 0 0 334.339 3.411 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001190045045 1367159779 /nfs/dbraw/zinc/15/97/79/1367159779.db2.gz GMYQPZHXDHNGFG-JOYOIKCWSA-N 0 0 344.770 3.461 10 5 EGBERN Cc1cccc(Cl)c1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001190220066 1367203127 /nfs/dbraw/zinc/20/31/27/1367203127.db2.gz LOLYDGXFXCFINY-UHFFFAOYSA-N 0 0 329.747 3.258 10 5 EGBERN Cn1c2ccccc2nc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190274961 1367215509 /nfs/dbraw/zinc/21/55/09/1367215509.db2.gz ZTXVBLXDJXWSLZ-UHFFFAOYSA-N 0 0 333.351 3.393 10 5 EGBERN CC1=NO[C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001186500914 1387956740 /nfs/dbraw/zinc/95/67/40/1387956740.db2.gz YRGHSQXERHHNDH-OAHLLOKOSA-N 0 0 339.351 3.403 10 5 EGBERN C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC001197506895 1368829003 /nfs/dbraw/zinc/82/90/03/1368829003.db2.gz MRJDUXNUKMTJMN-LBPRGKRZSA-N 0 0 330.340 3.053 10 5 EGBERN CCOC(=O)Cc1cccc(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001198632946 1369077375 /nfs/dbraw/zinc/07/73/75/1369077375.db2.gz OFWXYSURBYHDQN-UHFFFAOYSA-N 0 0 328.368 3.337 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H](OC)C23CCC3)cc1C ZINC001186669937 1387997021 /nfs/dbraw/zinc/99/70/21/1387997021.db2.gz QELOQNYPEWGPDJ-JKSUJKDBSA-N 0 0 348.399 3.449 10 5 EGBERN CN(CCCN(C)c1ccsc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001186720908 1388000420 /nfs/dbraw/zinc/00/04/20/1388000420.db2.gz QDFDRYQBOOPPFF-UHFFFAOYSA-N 0 0 329.422 3.350 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC001187124075 1388056525 /nfs/dbraw/zinc/05/65/25/1388056525.db2.gz VPAMPOKWWWDNBJ-SCXUMTSISA-N 0 0 340.326 3.484 10 5 EGBERN Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001116361604 1370894911 /nfs/dbraw/zinc/89/49/11/1370894911.db2.gz DAPIEGMIGDFGCP-UHFFFAOYSA-N 0 0 328.372 3.085 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@@H]3CCC[C@@H](C)C3)C2)n1 ZINC001187393045 1388102354 /nfs/dbraw/zinc/10/23/54/1388102354.db2.gz VHNMZXBQJQWCIN-VXGBXAGGSA-N 0 0 333.388 3.039 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118544527 1371196359 /nfs/dbraw/zinc/19/63/59/1371196359.db2.gz BKTQELZSBOYZSP-AYMMMOKOSA-N 0 0 331.706 3.413 10 5 EGBERN O=C(NCC1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001118790452 1371228506 /nfs/dbraw/zinc/22/85/06/1371228506.db2.gz ABYYGDIOAWZILA-UHFFFAOYSA-N 0 0 347.198 3.183 10 5 EGBERN CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1OC ZINC001118931088 1371252537 /nfs/dbraw/zinc/25/25/37/1371252537.db2.gz YZIANKZRKAOMCO-GFCCVEGCSA-N 0 0 332.360 3.274 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1c2ccccc2OC[C@H]1F ZINC001187586469 1388127947 /nfs/dbraw/zinc/12/79/47/1388127947.db2.gz NYKZABRJMHYISU-DYVFJYSZSA-N 0 0 339.326 3.449 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC3(CCC3)CO2)c1 ZINC001187606921 1388129281 /nfs/dbraw/zinc/12/92/81/1388129281.db2.gz KHFDXTJVQYKMFP-CYBMUJFWSA-N 0 0 334.372 3.143 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC3CC(Cl)(Cl)C3)cc2N1 ZINC001187716736 1388149353 /nfs/dbraw/zinc/14/93/53/1388149353.db2.gz MSZTUZIAGYCWFH-UHFFFAOYSA-N 0 0 330.171 3.228 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(Cc2nc(C)no2)cc1 ZINC001187774744 1388160225 /nfs/dbraw/zinc/16/02/25/1388160225.db2.gz VXMPPEJGQXEGGR-UHFFFAOYSA-N 0 0 342.359 3.145 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NCC1(OCCO)CCCCC1 ZINC001187807743 1388167045 /nfs/dbraw/zinc/16/70/45/1388167045.db2.gz KUOHKCXCLTXEPZ-UHFFFAOYSA-N 0 0 328.796 3.372 10 5 EGBERN O=C(OC[C@@H]1CCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001123219477 1372399596 /nfs/dbraw/zinc/39/95/96/1372399596.db2.gz OWAIWZCEBLFOPP-HNNXBMFYSA-N 0 0 342.351 3.153 10 5 EGBERN Nc1cc(N2Cc3ccccc3C3(CCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC001326462847 1388200045 /nfs/dbraw/zinc/20/00/45/1388200045.db2.gz UBTRJDFCDKVSNL-UHFFFAOYSA-N 0 0 339.395 3.111 10 5 EGBERN O=[N+]([O-])Cc1nnc(N2CCCC[C@@H]2CC2CCC2)n1CC1CC1 ZINC001123507481 1372492285 /nfs/dbraw/zinc/49/22/85/1372492285.db2.gz JQONXYKLFWUOLW-OAHLLOKOSA-N 0 0 333.436 3.014 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001123697071 1372562821 /nfs/dbraw/zinc/56/28/21/1372562821.db2.gz STZQHXZIBOHUHR-IAOVAPTHSA-N 0 0 347.415 3.399 10 5 EGBERN COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1cccnc1 ZINC001123984495 1372647013 /nfs/dbraw/zinc/64/70/13/1372647013.db2.gz ZXARRTWDMVSGIP-MRXNPFEDSA-N 0 0 343.383 3.114 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@@H](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001124087747 1372670772 /nfs/dbraw/zinc/67/07/72/1372670772.db2.gz HNIZKUZOFYUPCY-CZUORRHYSA-N 0 0 334.416 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC001124120563 1372676070 /nfs/dbraw/zinc/67/60/70/1372676070.db2.gz UQVJAUQBFHRTBZ-SMDDNHRTSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(CCc2ccccc2)n1 ZINC001124340928 1372693506 /nfs/dbraw/zinc/69/35/06/1372693506.db2.gz SFAVUDGCMXTBPV-UHFFFAOYSA-N 0 0 336.351 3.286 10 5 EGBERN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001124396948 1372698347 /nfs/dbraw/zinc/69/83/47/1372698347.db2.gz SRBZILPLCPSGBA-SFHVURJKSA-N 0 0 340.335 3.014 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001124404097 1372699021 /nfs/dbraw/zinc/69/90/21/1372699021.db2.gz WPTXFECQESIGKL-SUMWQHHRSA-N 0 0 330.315 3.427 10 5 EGBERN COC(=O)c1ccc(F)c(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124506685 1372707576 /nfs/dbraw/zinc/70/75/76/1372707576.db2.gz MCSMCJHESXOAFS-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN O=C([C@@H]1CCOc2c(F)cccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124546950 1372710485 /nfs/dbraw/zinc/71/04/85/1372710485.db2.gz LLLLBDQZGAQKQK-CQSZACIVSA-N 0 0 342.326 3.189 10 5 EGBERN C[C@@H](OCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001125336331 1372771859 /nfs/dbraw/zinc/77/18/59/1372771859.db2.gz GHKCMKLLNKLKEM-GFCCVEGCSA-N 0 0 332.331 3.320 10 5 EGBERN O=C(NCc1coc(-c2cccs2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001125408149 1372783033 /nfs/dbraw/zinc/78/30/33/1372783033.db2.gz VPCAHNLDMBZLOK-UHFFFAOYSA-N 0 0 347.327 3.380 10 5 EGBERN COc1cc(C(=O)Nc2ccc(SC)nc2)c([N+](=O)[O-])cc1F ZINC001125807839 1372861905 /nfs/dbraw/zinc/86/19/05/1372861905.db2.gz KLNMTPJSNNXBGP-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H](C)C1 ZINC001126303056 1372955359 /nfs/dbraw/zinc/95/53/59/1372955359.db2.gz HCTOGMMKIWIULC-YQPCPPDFSA-N 0 0 346.383 3.456 10 5 EGBERN COc1c(F)nccc1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001126317450 1372956926 /nfs/dbraw/zinc/95/69/26/1372956926.db2.gz FPXDSIYCTMMHKI-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CC1(C)CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001126489409 1372968861 /nfs/dbraw/zinc/96/88/61/1372968861.db2.gz SUWRQIHAVZKBAZ-INIZCTEOSA-N 0 0 345.399 3.173 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)Oc2ccccc2Cl)n1 ZINC001126516294 1372971581 /nfs/dbraw/zinc/97/15/81/1372971581.db2.gz SSYKRONVDKPSTE-NSHDSACASA-N 0 0 349.774 3.149 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC001126623419 1372985373 /nfs/dbraw/zinc/98/53/73/1372985373.db2.gz UJZHOYQFRSBQNT-LLVKDONJSA-N 0 0 346.387 3.383 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]2c3ccccc3OC[C@@H]2C)n1 ZINC001127401610 1373123828 /nfs/dbraw/zinc/12/38/28/1373123828.db2.gz GDVPATYBGQJRLW-MGPLVRAMSA-N 0 0 328.324 3.225 10 5 EGBERN CCC(=O)N1CCC[C@H](C(=O)O[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001127623394 1373149185 /nfs/dbraw/zinc/14/91/85/1373149185.db2.gz AOIGYEZGZANXDL-HOCLYGCPSA-N 0 0 348.399 3.238 10 5 EGBERN O=C(Oc1ccc2nccnc2c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001127694845 1373162609 /nfs/dbraw/zinc/16/26/09/1373162609.db2.gz KIONHQHUPGLTEU-CABCVRRESA-N 0 0 335.319 3.247 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H]1CCOc2c(F)cccc21 ZINC001127707856 1373164907 /nfs/dbraw/zinc/16/49/07/1373164907.db2.gz BNBGDIATPZPNJK-HNNXBMFYSA-N 0 0 331.299 3.343 10 5 EGBERN CC[C@@H](OC(=O)[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC001127729974 1373168927 /nfs/dbraw/zinc/16/89/27/1373168927.db2.gz JKXPWNXFZCPLHC-CHWSQXEVSA-N 0 0 327.427 3.438 10 5 EGBERN O=C(Nc1ccc(OC(F)F)nc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001128431057 1373266152 /nfs/dbraw/zinc/26/61/52/1373266152.db2.gz XPXNNWKDLMJTNE-CHWSQXEVSA-N 0 0 349.293 3.333 10 5 EGBERN COC(=O)c1ccc(C)c(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001128503766 1373278389 /nfs/dbraw/zinc/27/83/89/1373278389.db2.gz ZSIAASRFYGBCOJ-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN COCOc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC001128621503 1373298537 /nfs/dbraw/zinc/29/85/37/1373298537.db2.gz JWCRBKBOXJYQHZ-UHFFFAOYSA-N 0 0 338.266 3.108 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC001128880364 1373320146 /nfs/dbraw/zinc/32/01/46/1373320146.db2.gz IHQJLZOOLOCNAI-UHFFFAOYSA-N 0 0 346.290 3.193 10 5 EGBERN Cc1nc(C2CCCCC2)sc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128985822 1373331855 /nfs/dbraw/zinc/33/18/55/1373331855.db2.gz XMBQVNXEXGZRRS-UHFFFAOYSA-N 0 0 349.416 3.393 10 5 EGBERN COc1cc(C(=O)OCc2cc(C)ccc2F)c([N+](=O)[O-])cc1OC ZINC001129038211 1373338666 /nfs/dbraw/zinc/33/86/66/1373338666.db2.gz ADDJUMCSWPHCKZ-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001129058203 1373340487 /nfs/dbraw/zinc/34/04/87/1373340487.db2.gz BJTDFKFZTBEIQI-AWEZNQCLSA-N 0 0 348.786 3.236 10 5 EGBERN COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001129076115 1373343420 /nfs/dbraw/zinc/34/34/20/1373343420.db2.gz DAUMILABPJZCAL-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN O=C(NCc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC001129137607 1373351191 /nfs/dbraw/zinc/35/11/91/1373351191.db2.gz UHMKHJDGSYTIKY-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN CC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)sc1C ZINC001129215304 1373361972 /nfs/dbraw/zinc/36/19/72/1373361972.db2.gz HLRDXLIBTJLHES-UHFFFAOYSA-N 0 0 337.332 3.262 10 5 EGBERN Cc1ccc(COC(=O)c2ncnc3sccc32)cc1[N+](=O)[O-] ZINC001129247042 1373364784 /nfs/dbraw/zinc/36/47/84/1373364784.db2.gz AXGDZEFBNUVXHB-UHFFFAOYSA-N 0 0 329.337 3.265 10 5 EGBERN Cc1nc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c2ccccn12 ZINC001129247106 1373365026 /nfs/dbraw/zinc/36/50/26/1373365026.db2.gz DZQPKOGUBSSWJB-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN CCc1noc2ncc(C(=O)OCc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC001129247633 1373365312 /nfs/dbraw/zinc/36/53/12/1373365312.db2.gz PBCGKOKHQSEJTP-UHFFFAOYSA-N 0 0 341.323 3.359 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cnc1Cl ZINC001129311138 1373370024 /nfs/dbraw/zinc/37/00/24/1373370024.db2.gz YDWGGMXUDHMDGU-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1cc3ccccc3c([N+](=O)[O-])c1N)CC2 ZINC001129307252 1373370623 /nfs/dbraw/zinc/37/06/23/1373370623.db2.gz SLTYRKFBUNSUAT-UHFFFAOYSA-N 0 0 348.362 3.237 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1COC2=O ZINC001129440452 1373383822 /nfs/dbraw/zinc/38/38/22/1373383822.db2.gz CEPIADJCVLQZAN-UHFFFAOYSA-N 0 0 326.308 3.134 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1Cl ZINC001129702174 1373414421 /nfs/dbraw/zinc/41/44/21/1373414421.db2.gz AJSXMDMZURATLW-UHFFFAOYSA-N 0 0 326.692 3.111 10 5 EGBERN Cc1cccnc1/C=C\C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130755725 1373588325 /nfs/dbraw/zinc/58/83/25/1373588325.db2.gz AGWMXPBQQRXXCP-SREVYHEPSA-N 0 0 334.335 3.498 10 5 EGBERN CCOc1ncccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761424 1373589268 /nfs/dbraw/zinc/58/92/68/1373589268.db2.gz UQUAOKMQVKRWPH-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCc2cc(F)ccc21 ZINC001130850359 1373598432 /nfs/dbraw/zinc/59/84/32/1373598432.db2.gz UTAKEUBKXBCSGN-HNNXBMFYSA-N 0 0 346.270 3.278 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001130882012 1373601962 /nfs/dbraw/zinc/60/19/62/1373601962.db2.gz VPQAIADUYQIIOK-MRXNPFEDSA-N 0 0 348.362 3.198 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC001130939339 1373611697 /nfs/dbraw/zinc/61/16/97/1373611697.db2.gz ITUGTNXOOHNQRT-UHFFFAOYSA-N 0 0 325.328 3.013 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cnsc1 ZINC001131166401 1373655958 /nfs/dbraw/zinc/65/59/58/1373655958.db2.gz PNOGLQQWZZLDOG-UHFFFAOYSA-N 0 0 330.724 3.130 10 5 EGBERN Cc1ccn2cnc(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)c2c1 ZINC001131250941 1373669478 /nfs/dbraw/zinc/66/94/78/1373669478.db2.gz NQRHMCIDVCEOCG-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC001131492735 1373710713 /nfs/dbraw/zinc/71/07/13/1373710713.db2.gz YCRVAJGPXDEVRP-ARFHVFGLSA-N 0 0 328.755 3.316 10 5 EGBERN O=C(NCC1CCC2(CC2)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001131933465 1375054848 /nfs/dbraw/zinc/05/48/48/1375054848.db2.gz JQBATBWBHIUKSP-UHFFFAOYSA-N 0 0 346.383 3.066 10 5 EGBERN CCc1cc(Cl)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001132020581 1375101290 /nfs/dbraw/zinc/10/12/90/1375101290.db2.gz KPRJTKYGLSESAV-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN COC(=O)c1c(C)sc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001132704187 1375523057 /nfs/dbraw/zinc/52/30/57/1375523057.db2.gz HMGMZYOTUCTMOS-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2cc3cnccc3o2)ccc1[N+](=O)[O-] ZINC001132721963 1375529401 /nfs/dbraw/zinc/52/94/01/1375529401.db2.gz PRYIWCOJTLLKOA-SNVBAGLBSA-N 0 0 341.323 3.236 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001132747296 1375543340 /nfs/dbraw/zinc/54/33/40/1375543340.db2.gz JACVZOJMLHPEEZ-SECBINFHSA-N 0 0 347.396 3.437 10 5 EGBERN CC(C)(COCC(F)F)C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327147389 1388404974 /nfs/dbraw/zinc/40/49/74/1388404974.db2.gz SNPPWXPZVYUEJA-UHFFFAOYSA-N 0 0 335.278 3.085 10 5 EGBERN C[C@H](NC(=O)c1ccc(P(C)(C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133484240 1376034836 /nfs/dbraw/zinc/03/48/36/1376034836.db2.gz OOMSBCUXMMVFSZ-LBPRGKRZSA-N 0 0 346.323 3.334 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)nc1Cl ZINC001133654798 1376140967 /nfs/dbraw/zinc/14/09/67/1376140967.db2.gz RBVQNTIZMMTXJD-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC001134137199 1376385142 /nfs/dbraw/zinc/38/51/42/1376385142.db2.gz GAMSVFGKLHSBAP-VIFPVBQESA-N 0 0 347.758 3.089 10 5 EGBERN COC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)C ZINC001134287088 1376459478 /nfs/dbraw/zinc/45/94/78/1376459478.db2.gz PYCYBCNEIRIQRS-CQSZACIVSA-N 0 0 338.404 3.030 10 5 EGBERN Cc1cc(OCC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001134319865 1376474496 /nfs/dbraw/zinc/47/44/96/1376474496.db2.gz AKLCVNWMWVHAKJ-QMYADUOMSA-N 0 0 344.411 3.177 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001134599023 1376620146 /nfs/dbraw/zinc/62/01/46/1376620146.db2.gz JERMWIBFZGMLIF-CQSZACIVSA-N 0 0 347.415 3.248 10 5 EGBERN O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134970173 1376818143 /nfs/dbraw/zinc/81/81/43/1376818143.db2.gz HEDAKTVLWISBHD-QWHCGFSZSA-N 0 0 346.333 3.482 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001135494959 1377117858 /nfs/dbraw/zinc/11/78/58/1377117858.db2.gz OSSSZZYXBBCJNU-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN O=C(NCc1ccccn1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001135573051 1377152312 /nfs/dbraw/zinc/15/23/12/1377152312.db2.gz VMHCGKHPARFMPG-UHFFFAOYSA-N 0 0 344.129 3.366 10 5 EGBERN CCOc1ccc(OC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001135685848 1377183447 /nfs/dbraw/zinc/18/34/47/1377183447.db2.gz WSVYSFRWWYGSKL-UHFFFAOYSA-N 0 0 336.731 3.448 10 5 EGBERN CC(C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001136188003 1377362506 /nfs/dbraw/zinc/36/25/06/1377362506.db2.gz UIYJPJPFKXMNFB-NSHDSACASA-N 0 0 336.779 3.141 10 5 EGBERN O=C(/C=C\CCc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001136202300 1377363610 /nfs/dbraw/zinc/36/36/10/1377363610.db2.gz NMZFZOZXSNAIHF-UITAMQMPSA-N 0 0 339.395 3.312 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(Cl)nc1 ZINC001136307586 1377376164 /nfs/dbraw/zinc/37/61/64/1377376164.db2.gz WTHPALGTDIHKRM-UHFFFAOYSA-N 0 0 340.166 3.156 10 5 EGBERN Cc1noc2ncc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc12 ZINC001136500923 1377400521 /nfs/dbraw/zinc/40/05/21/1377400521.db2.gz DTYRPAMTOTXIBQ-UHFFFAOYSA-N 0 0 332.703 3.345 10 5 EGBERN CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001136502040 1377400587 /nfs/dbraw/zinc/40/05/87/1377400587.db2.gz NSGFCBRHFRHCLG-UHFFFAOYSA-N 0 0 347.758 3.483 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCNc2ccccc2)c1F ZINC001136662112 1377413621 /nfs/dbraw/zinc/41/36/21/1377413621.db2.gz BHCOGJOJEWCSIX-UHFFFAOYSA-N 0 0 349.337 3.413 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001136785020 1377422919 /nfs/dbraw/zinc/42/29/19/1377422919.db2.gz LVGXZTKDXNWWOW-LLVKDONJSA-N 0 0 345.786 3.290 10 5 EGBERN C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[C@@H]1c1ccccc1 ZINC001137002802 1377455051 /nfs/dbraw/zinc/45/50/51/1377455051.db2.gz UXFRVWIIYUJGON-PWSUYJOCSA-N 0 0 348.790 3.237 10 5 EGBERN CC(C)(C)Oc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137031382 1377461627 /nfs/dbraw/zinc/46/16/27/1377461627.db2.gz OJCZQCMUIAZJQN-UHFFFAOYSA-N 0 0 343.383 3.284 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001137481734 1377556045 /nfs/dbraw/zinc/55/60/45/1377556045.db2.gz DRZFWKCEIGSACX-NSHDSACASA-N 0 0 332.331 3.143 10 5 EGBERN Cc1c(N)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1F ZINC001137531447 1377561955 /nfs/dbraw/zinc/56/19/55/1377561955.db2.gz UBWFRQCWQOTLQB-UHFFFAOYSA-N 0 0 337.738 3.208 10 5 EGBERN Cc1ccn2ncc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)c2c1 ZINC001137829031 1377623639 /nfs/dbraw/zinc/62/36/39/1377623639.db2.gz WLBNNQVYBPLGJS-UHFFFAOYSA-N 0 0 336.351 3.062 10 5 EGBERN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001137874041 1377634955 /nfs/dbraw/zinc/63/49/55/1377634955.db2.gz BYQKEDKSMKPSNL-IUODEOHRSA-N 0 0 334.416 3.268 10 5 EGBERN Cc1ccc(O)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 ZINC001138013433 1377666208 /nfs/dbraw/zinc/66/62/08/1377666208.db2.gz NVOCZSYKEZPNGX-UHFFFAOYSA-N 0 0 338.323 3.251 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc2cc[nH]c21 ZINC001138252105 1377694109 /nfs/dbraw/zinc/69/41/09/1377694109.db2.gz UHMSSJLGOIECMN-UHFFFAOYSA-N 0 0 327.315 3.074 10 5 EGBERN C[C@H]1C[C@@H](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001139605145 1377916304 /nfs/dbraw/zinc/91/63/04/1377916304.db2.gz GNZRMYZBFSQECV-NWDGAFQWSA-N 0 0 334.420 3.154 10 5 EGBERN Nc1c(C(=O)Nc2cc3cc[nH]c3cn2)cc2ccccc2c1[N+](=O)[O-] ZINC001277624166 1378240691 /nfs/dbraw/zinc/24/06/91/1378240691.db2.gz IKGWUMUMRCQMGA-UHFFFAOYSA-N 0 0 347.334 3.459 10 5 EGBERN CCc1ccc([C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC001141271365 1378288720 /nfs/dbraw/zinc/28/87/20/1378288720.db2.gz UEIBOVHNELUZQQ-INIZCTEOSA-N 0 0 343.383 3.385 10 5 EGBERN Cc1cc(C)cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001280359312 1378343531 /nfs/dbraw/zinc/34/35/31/1378343531.db2.gz DZRFYBMFPQPHDI-UHFFFAOYSA-N 0 0 337.379 3.483 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001141707938 1378364599 /nfs/dbraw/zinc/36/45/99/1378364599.db2.gz OWUIMVKAWIWFCJ-RNCFNFMXSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001141709899 1378364885 /nfs/dbraw/zinc/36/48/85/1378364885.db2.gz QFKUCZIHFPDHCC-UHFFFAOYSA-N 0 0 346.240 3.047 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1c1ccsc1 ZINC001141752377 1378370908 /nfs/dbraw/zinc/37/09/08/1378370908.db2.gz IXPCZCFZHQODIP-MRVPVSSYSA-N 0 0 326.765 3.010 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2ncco2)CC1 ZINC001142946167 1378514469 /nfs/dbraw/zinc/51/44/69/1378514469.db2.gz ZPWMPALCKUQBSO-UHFFFAOYSA-N 0 0 349.774 3.185 10 5 EGBERN CC(C)Nc1cccc(F)c1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001143822150 1378650557 /nfs/dbraw/zinc/65/05/57/1378650557.db2.gz NOMAPXIZVNZBFC-UHFFFAOYSA-N 0 0 341.730 3.183 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC001148856562 1379284967 /nfs/dbraw/zinc/28/49/67/1379284967.db2.gz CYXUXYGYTWECKV-UHFFFAOYSA-N 0 0 337.282 3.073 10 5 EGBERN Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cnc1C(F)(F)F ZINC001149137206 1379331165 /nfs/dbraw/zinc/33/11/65/1379331165.db2.gz GHALFWDSMSGPTB-UHFFFAOYSA-N 0 0 340.261 3.152 10 5 EGBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001152505847 1379943528 /nfs/dbraw/zinc/94/35/28/1379943528.db2.gz YGAZFDOZANCJHZ-OAHLLOKOSA-N 0 0 348.399 3.175 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2cncnc2[C@H](C)C1 ZINC001153033737 1380011690 /nfs/dbraw/zinc/01/16/90/1380011690.db2.gz JAURQJZRASMXRS-GFCCVEGCSA-N 0 0 340.383 3.070 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)s1 ZINC001328038892 1388651090 /nfs/dbraw/zinc/65/10/90/1388651090.db2.gz MYQMYCZHNAOORY-BWVDBABLSA-N 0 0 326.328 3.445 10 5 EGBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328046562 1388652731 /nfs/dbraw/zinc/65/27/31/1388652731.db2.gz NJUYXIBJSSRCMI-AEFFLSMTSA-N 0 0 341.342 3.257 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001156729725 1380619380 /nfs/dbraw/zinc/61/93/80/1380619380.db2.gz SWMOHQRTKXXILJ-QMMMGPOBSA-N 0 0 335.747 3.002 10 5 EGBERN CON(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H](C)c1csc(C)n1 ZINC001328151792 1388682428 /nfs/dbraw/zinc/68/24/28/1388682428.db2.gz RVHWGCGBGFRZFK-SNVBAGLBSA-N 0 0 335.385 3.433 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(C2CCCCC2)cs1 ZINC001287795025 1381377969 /nfs/dbraw/zinc/37/79/69/1381377969.db2.gz UNEAXCARXLMHTK-UHFFFAOYSA-N 0 0 349.416 3.324 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc2[nH]ccc21 ZINC001288190063 1381674609 /nfs/dbraw/zinc/67/46/09/1381674609.db2.gz IGRMWLDUJXIOBY-UHFFFAOYSA-N 0 0 339.351 3.405 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)COc1ccc(C(C)C)cc1 ZINC001288211543 1381727669 /nfs/dbraw/zinc/72/76/69/1381727669.db2.gz DZHNNRYPVIYISM-UHFFFAOYSA-N 0 0 345.355 3.139 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1scnc1C1CCCC1 ZINC001288215685 1381731157 /nfs/dbraw/zinc/73/11/57/1381731157.db2.gz FBCONZZSESEKPD-UHFFFAOYSA-N 0 0 348.384 3.365 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001288236867 1381748060 /nfs/dbraw/zinc/74/80/60/1381748060.db2.gz KLIQOAHOQXLWJZ-SJLPKXTDSA-N 0 0 344.342 3.115 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001288392283 1381800618 /nfs/dbraw/zinc/80/06/18/1381800618.db2.gz OOKCQUCLXAAJAD-GFCCVEGCSA-N 0 0 345.403 3.040 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])o1 ZINC001288627678 1381900308 /nfs/dbraw/zinc/90/03/08/1381900308.db2.gz KZMRERBLYKDWHP-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328459550 1388750724 /nfs/dbraw/zinc/75/07/24/1388750724.db2.gz VNCUZDKRMPEPSZ-VIRABCJISA-N 0 0 338.354 3.323 10 5 EGBERN C[C@H](NC(=O)c1coc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288790034 1381940660 /nfs/dbraw/zinc/94/06/60/1381940660.db2.gz ZWCLRUUOZCAJQR-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NC[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC001288852178 1381949596 /nfs/dbraw/zinc/94/95/96/1381949596.db2.gz ACVVHRPWUZDSQV-DIFFPNOSSA-N 0 0 335.379 3.110 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001289633839 1382005742 /nfs/dbraw/zinc/00/57/42/1382005742.db2.gz PXQRSPPBBRCJCH-HNNXBMFYSA-N 0 0 348.761 3.213 10 5 EGBERN C[S@@](=O)(=NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC001289707068 1382008528 /nfs/dbraw/zinc/00/85/28/1382008528.db2.gz KTZDDKJLIIDNQY-NRFANRHFSA-N 0 0 328.346 3.093 10 5 EGBERN CNc1nccc(C(=O)Nc2cccc(-n3cccc3)c2)c1[N+](=O)[O-] ZINC001290674968 1382102695 /nfs/dbraw/zinc/10/26/95/1382102695.db2.gz JGXRTWQXBAYTGA-UHFFFAOYSA-N 0 0 337.339 3.075 10 5 EGBERN COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1O ZINC001160449667 1382107078 /nfs/dbraw/zinc/10/70/78/1382107078.db2.gz DDPGEWILIGXXDN-UHFFFAOYSA-N 0 0 330.340 3.225 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)nc1F ZINC001160556629 1382140913 /nfs/dbraw/zinc/14/09/13/1382140913.db2.gz PCTWQSLSWFOIET-UHFFFAOYSA-N 0 0 339.710 3.433 10 5 EGBERN Cc1c2ccccc2c(=O)[nH]c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001291594517 1382144232 /nfs/dbraw/zinc/14/42/32/1382144232.db2.gz BZGZVPGYCWEWKZ-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@]2(C1)OCc1ccccc12 ZINC001328585547 1388781871 /nfs/dbraw/zinc/78/18/71/1388781871.db2.gz PNJKBWXDORTZAQ-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)cc1[N+](=O)[O-] ZINC001161511788 1382427226 /nfs/dbraw/zinc/42/72/26/1382427226.db2.gz MGCUKUYYGAQNBZ-DEOSSOPVSA-N 0 0 347.396 3.445 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162327235 1382730605 /nfs/dbraw/zinc/73/06/05/1382730605.db2.gz RGTPLEKABWJSMD-MBNYWOFBSA-N 0 0 334.420 3.209 10 5 EGBERN COC(=O)Cc1ccc(Nc2ccc3nc(C)cn3c2)c([N+](=O)[O-])c1 ZINC001162567894 1382793640 /nfs/dbraw/zinc/79/36/40/1382793640.db2.gz KLQCETICUBCIBX-UHFFFAOYSA-N 0 0 340.339 3.010 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1nccc2ccsc21 ZINC001295988636 1382892399 /nfs/dbraw/zinc/89/23/99/1382892399.db2.gz WGJNCMGBVDVWAT-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN CC1(C)CCC[C@@]1(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001163378235 1383036363 /nfs/dbraw/zinc/03/63/63/1383036363.db2.gz QHVRXRJHLGZSEG-QGZVFWFLSA-N 0 0 333.363 3.057 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1COc2ccccc21 ZINC001163437727 1383051807 /nfs/dbraw/zinc/05/18/07/1383051807.db2.gz VWBJKTJZZHERQR-NSHDSACASA-N 0 0 339.326 3.292 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC001163678847 1383104133 /nfs/dbraw/zinc/10/41/33/1383104133.db2.gz XUNQRVZMLCICBA-LBPRGKRZSA-N 0 0 343.261 3.112 10 5 EGBERN CCc1nccn1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164138164 1383160166 /nfs/dbraw/zinc/16/01/66/1383160166.db2.gz MXLKHTNKJIELBR-UHFFFAOYSA-N 0 0 346.778 3.062 10 5 EGBERN COC[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C(C)C ZINC001164205827 1383165860 /nfs/dbraw/zinc/16/58/60/1383165860.db2.gz JMVDEGXINXEVTR-SNVBAGLBSA-N 0 0 344.795 3.365 10 5 EGBERN Cc1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)nc1Cl ZINC001165614313 1383315492 /nfs/dbraw/zinc/31/54/92/1383315492.db2.gz HFXORLVWPXGFMS-UHFFFAOYSA-N 0 0 329.747 3.258 10 5 EGBERN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccns1 ZINC001165808920 1383348493 /nfs/dbraw/zinc/34/84/93/1383348493.db2.gz QYRJBYDYMYWWBL-UHFFFAOYSA-N 0 0 343.158 3.076 10 5 EGBERN CC(=O)c1ccc(OCc2ncc(Cl)nc2Cl)c([N+](=O)[O-])c1 ZINC001165896616 1383360731 /nfs/dbraw/zinc/36/07/31/1383360731.db2.gz HDHGRDHGYWONHS-UHFFFAOYSA-N 0 0 342.138 3.473 10 5 EGBERN COc1ccc(F)cc1C(=O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001166322160 1383411647 /nfs/dbraw/zinc/41/16/47/1383411647.db2.gz XRHLIYACXQVAMV-UHFFFAOYSA-N 0 0 341.241 3.282 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001298829991 1383435300 /nfs/dbraw/zinc/43/53/00/1383435300.db2.gz NYVIYEKZEOBATP-LSDHHAIUSA-N 0 0 342.351 3.441 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1SC ZINC001299165783 1383479521 /nfs/dbraw/zinc/47/95/21/1383479521.db2.gz CSFCBCLMULTYQN-UHFFFAOYSA-N 0 0 333.369 3.160 10 5 EGBERN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001300206768 1383652051 /nfs/dbraw/zinc/65/20/51/1383652051.db2.gz QCAKYVAURAVWPH-URGYJCLVSA-N 0 0 331.416 3.338 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC1CC1 ZINC001300341316 1383659573 /nfs/dbraw/zinc/65/95/73/1383659573.db2.gz RUPTYAJWCDLJPL-AWEZNQCLSA-N 0 0 348.399 3.037 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001301242139 1383702872 /nfs/dbraw/zinc/70/28/72/1383702872.db2.gz AKXDZHRYTWUGEG-IAOVAPTHSA-N 0 0 344.317 3.250 10 5 EGBERN Cc1ccccc1N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001301301479 1383707924 /nfs/dbraw/zinc/70/79/24/1383707924.db2.gz KDBNSRDUFIQRBK-UHFFFAOYSA-N 0 0 328.353 3.185 10 5 EGBERN Cc1cc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC001301695464 1383727143 /nfs/dbraw/zinc/72/71/43/1383727143.db2.gz WPCBDAZVEWLQHT-OAHLLOKOSA-N 0 0 339.351 3.107 10 5 EGBERN Cc1cncc(/C=C\C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001301918669 1383736359 /nfs/dbraw/zinc/73/63/59/1383736359.db2.gz ZRDFKNIAMWKFGU-IHWYPQMZSA-N 0 0 349.749 3.420 10 5 EGBERN Nc1c(C(=O)NCCC[C@@H]2C=CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001303272928 1383790110 /nfs/dbraw/zinc/79/01/10/1383790110.db2.gz FVMUJMKDTBDBMV-SECBINFHSA-N 0 0 341.770 3.446 10 5 EGBERN CCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC001305290848 1383859891 /nfs/dbraw/zinc/85/98/91/1383859891.db2.gz BYSBHUKHUASDIH-KRWDZBQOSA-N 0 0 328.372 3.017 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC(C3CC3)C3CC3)c2c1 ZINC001306908163 1383919182 /nfs/dbraw/zinc/91/91/82/1383919182.db2.gz CXYIANAXNNHPNB-UHFFFAOYSA-N 0 0 328.328 3.074 10 5 EGBERN COc1ccc(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])cc1 ZINC001306914561 1383919672 /nfs/dbraw/zinc/91/96/72/1383919672.db2.gz XBOFSXIIDQSHCR-UHFFFAOYSA-N 0 0 339.351 3.194 10 5 EGBERN CCN(CCNc1c(Cl)cncc1[N+](=O)[O-])c1cccc(C)c1 ZINC001306916837 1383919769 /nfs/dbraw/zinc/91/97/69/1383919769.db2.gz QUYGAESTBLPNAC-UHFFFAOYSA-N 0 0 334.807 3.312 10 5 EGBERN COc1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC001306915035 1383919965 /nfs/dbraw/zinc/91/99/65/1383919965.db2.gz IUFCLSFIMJHMLC-UHFFFAOYSA-N 0 0 334.328 3.373 10 5 EGBERN Cc1nc(NC[C@@H](O)c2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001306968256 1383928003 /nfs/dbraw/zinc/92/80/03/1383928003.db2.gz OHSGNVITPDYBJL-GFCCVEGCSA-N 0 0 343.170 3.146 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCO[C@H](c2ccco2)C1 ZINC001306993563 1383931025 /nfs/dbraw/zinc/93/10/25/1383931025.db2.gz PZLMTDMCSTXTQO-INIZCTEOSA-N 0 0 343.314 3.453 10 5 EGBERN Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307137358 1383943480 /nfs/dbraw/zinc/94/34/80/1383943480.db2.gz JXFOWAOLLWRFBT-FZNQNYSPSA-N 0 0 342.399 3.150 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](CC(C)C)OC)c2c1 ZINC001307145363 1383944912 /nfs/dbraw/zinc/94/49/12/1383944912.db2.gz IUXBISMECMTIAI-ZDUSSCGKSA-N 0 0 333.388 3.047 10 5 EGBERN CC(=O)N(C)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001307166433 1383949044 /nfs/dbraw/zinc/94/90/44/1383949044.db2.gz WLDWKXFIYCFJSG-UHFFFAOYSA-N 0 0 339.355 3.066 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(OC(F)F)cc2F)c(F)c1 ZINC001307188030 1383953026 /nfs/dbraw/zinc/95/30/26/1383953026.db2.gz IKFLVTRFDCYKQK-UHFFFAOYSA-N 0 0 331.225 3.482 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001307208175 1383957318 /nfs/dbraw/zinc/95/73/18/1383957318.db2.gz GWMLMXZEHQNKNI-GOEBONIOSA-N 0 0 344.440 3.135 10 5 EGBERN Cc1nc([C@@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)[nH]c1C ZINC001307208831 1383957476 /nfs/dbraw/zinc/95/74/76/1383957476.db2.gz NQDAPLHOUAHBIK-HNNXBMFYSA-N 0 0 338.371 3.219 10 5 EGBERN C[C@@H]1C[C@@]2(CC[C@@H](CNc3ccc(Cl)cc3[N+](=O)[O-])O2)CO1 ZINC001307211404 1383957507 /nfs/dbraw/zinc/95/75/07/1383957507.db2.gz BPZVRVZGOPPUMV-GMXABZIVSA-N 0 0 326.780 3.387 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001307224040 1383960093 /nfs/dbraw/zinc/96/00/93/1383960093.db2.gz XSRYLFQJUOGZTD-QWRGUYRKSA-N 0 0 344.337 3.362 10 5 EGBERN CCc1noc([C@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001307224005 1383960311 /nfs/dbraw/zinc/96/03/11/1383960311.db2.gz DERUSEWJSZTZNI-VHSXEESVSA-N 0 0 347.331 3.197 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001307323403 1383971939 /nfs/dbraw/zinc/97/19/39/1383971939.db2.gz GMEJYXQGTYJBRK-UHFFFAOYSA-N 0 0 345.355 3.066 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001307328058 1383972139 /nfs/dbraw/zinc/97/21/39/1383972139.db2.gz XMIISMLQGQMKLB-QJPTWQEYSA-N 0 0 343.408 3.146 10 5 EGBERN CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC001307345234 1383974556 /nfs/dbraw/zinc/97/45/56/1383974556.db2.gz IVHLMXZCZGVWHO-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN O=[N+]([O-])c1cn(CCc2c(F)cccc2F)nc1-c1ccccn1 ZINC001307371956 1383978932 /nfs/dbraw/zinc/97/89/32/1383978932.db2.gz JRNKIJTXANPMEB-UHFFFAOYSA-N 0 0 330.294 3.374 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@H](C)CO1 ZINC001307897794 1384053007 /nfs/dbraw/zinc/05/30/07/1384053007.db2.gz PHVMFVZDAULVRW-GWCFXTLKSA-N 0 0 343.221 3.357 10 5 EGBERN O=C(CCN[C@H](CF)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001308018149 1384075250 /nfs/dbraw/zinc/07/52/50/1384075250.db2.gz ATQCNZAYDDDJLD-MRXNPFEDSA-N 0 0 349.337 3.363 10 5 EGBERN Nc1cc(F)ccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001169726251 1384178858 /nfs/dbraw/zinc/17/88/58/1384178858.db2.gz PREISIVKUNMRQV-UHFFFAOYSA-N 0 0 341.701 3.039 10 5 EGBERN CC(C)=CCC[C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001312729446 1384367326 /nfs/dbraw/zinc/36/73/26/1384367326.db2.gz RBHCWNNEMUBGNK-AWEZNQCLSA-N 0 0 334.420 3.441 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001313280537 1384407191 /nfs/dbraw/zinc/40/71/91/1384407191.db2.gz RWBQBJZXFXSFHC-RISCZKNCSA-N 0 0 349.412 3.059 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001313297019 1384408425 /nfs/dbraw/zinc/40/84/25/1384408425.db2.gz UJOMLEHCGWUCME-RFGFWPKPSA-N 0 0 331.416 3.421 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001335769563 1388928653 /nfs/dbraw/zinc/92/86/53/1388928653.db2.gz AZIJDXUNHAVPAJ-ROUUACIJSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1ccc(CNC(=O)c2ccccc2-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC001171891390 1384672375 /nfs/dbraw/zinc/67/23/75/1384672375.db2.gz SLUYFQLJYRCICM-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ncccc12 ZINC001176030201 1385465802 /nfs/dbraw/zinc/46/58/02/1385465802.db2.gz ZORBCUDSXWFFJB-VXGBXAGGSA-N 0 0 338.367 3.393 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)C3O)cc1C(F)(F)F ZINC001319318791 1386056947 /nfs/dbraw/zinc/05/69/47/1386056947.db2.gz QXNHDAILUAAOTJ-XFLKPENQSA-N 0 0 330.306 3.211 10 5 EGBERN CC[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001178321057 1386187637 /nfs/dbraw/zinc/18/76/37/1386187637.db2.gz SWQLZYXKFAKUME-KOTGUFOOSA-N 0 0 348.399 3.092 10 5 EGBERN C[C@H](CNC(=O)c1c(F)ccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC001179400306 1386475076 /nfs/dbraw/zinc/47/50/76/1386475076.db2.gz YJVGYOOYWLIZRH-SECBINFHSA-N 0 0 337.738 3.316 10 5 EGBERN CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2O1 ZINC001179614438 1386532451 /nfs/dbraw/zinc/53/24/51/1386532451.db2.gz UFFADHCRWVXVRF-LLVKDONJSA-N 0 0 332.312 3.035 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])OCCCc1cccnc1 ZINC001320143457 1386533045 /nfs/dbraw/zinc/53/30/45/1386533045.db2.gz QMUZCXAWYINUSD-UHFFFAOYSA-N 0 0 332.381 3.258 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@@H](OC)C2)cc1Cl ZINC001320668802 1386686844 /nfs/dbraw/zinc/68/68/44/1386686844.db2.gz PNVSUUMTBIDCFF-RKDXNWHRSA-N 0 0 328.752 3.014 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC001180144942 1386713238 /nfs/dbraw/zinc/71/32/38/1386713238.db2.gz DLOYOLKRMRTAOU-HNNXBMFYSA-N 0 0 346.774 3.107 10 5 EGBERN CCCC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001322256236 1387122625 /nfs/dbraw/zinc/12/26/25/1387122625.db2.gz VVMMUUSAYSNKDO-UHFFFAOYSA-N 0 0 336.388 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(Cc4cscn4)no3)CCC2)cc1 ZINC001329377271 1389083883 /nfs/dbraw/zinc/08/38/83/1389083883.db2.gz GKLWKVXMIPUPDZ-UHFFFAOYSA-N 0 0 342.380 3.495 10 5 EGBERN CC(C)Oc1ccc(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC001329448184 1389113533 /nfs/dbraw/zinc/11/35/33/1389113533.db2.gz HBVOGAJLUNRAIO-UHFFFAOYSA-N 0 0 334.303 3.273 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001330231517 1389354847 /nfs/dbraw/zinc/35/48/47/1389354847.db2.gz BUXSQWHLVAPGSD-IACUBPJLSA-N 0 0 343.339 3.124 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001330320865 1389387666 /nfs/dbraw/zinc/38/76/66/1389387666.db2.gz XKRUIOISVKKPBE-FAAHXZRKSA-N 0 0 348.353 3.051 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(C)cc(C)c3C2)c1 ZINC001337904609 1389477900 /nfs/dbraw/zinc/47/79/00/1389477900.db2.gz MKRUKXFSLDCBNP-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330905917 1389559292 /nfs/dbraw/zinc/55/92/92/1389559292.db2.gz VHCDXVFKSUIORR-OUAUKWLOSA-N 0 0 340.326 3.157 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331674712 1389853248 /nfs/dbraw/zinc/85/32/48/1389853248.db2.gz SFRMJZXAAUYEAI-KDOFPFPSSA-N 0 0 340.379 3.389 10 5 EGBERN C[C@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@]1(F)Cl ZINC001332586819 1390137850 /nfs/dbraw/zinc/13/78/50/1390137850.db2.gz FGAGGKRRFRUJHW-GJZGRUSLSA-N 0 0 341.770 3.325 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C2 ZINC001332659010 1390145170 /nfs/dbraw/zinc/14/51/70/1390145170.db2.gz ZZNSCPYZOGMKPR-KBPBESRZSA-N 0 0 330.306 3.410 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001339851745 1390175589 /nfs/dbraw/zinc/17/55/89/1390175589.db2.gz KJOPPZRAGPESMA-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN Cc1c(Br)c(N2C[C@@H](C)OCC[C@H]2C)ncc1[N+](=O)[O-] ZINC001339936194 1390193601 /nfs/dbraw/zinc/19/36/01/1390193601.db2.gz HRZJRTVXQZITTE-RKDXNWHRSA-N 0 0 344.209 3.064 10 5 EGBERN Cc1cnn(CC2CC2)c1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001341840205 1390535700 /nfs/dbraw/zinc/53/57/00/1390535700.db2.gz YNHGEPXYTIONRM-UHFFFAOYSA-N 0 0 346.362 3.220 10 5 EGBERN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC001334853938 1390605885 /nfs/dbraw/zinc/60/58/85/1390605885.db2.gz BDMIFCBFYQGEOH-XDTLVQLUSA-N 0 0 346.305 3.272 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccsc1C(F)F ZINC001344280199 1390779184 /nfs/dbraw/zinc/77/91/84/1390779184.db2.gz GOTVKJWOPFRHCX-UHFFFAOYSA-N 0 0 343.311 3.351 10 5 EGBERN COc1cc(C(=O)OCC23CCC(C)(CC2)OC3)ccc1[N+](=O)[O-] ZINC001344402355 1390789249 /nfs/dbraw/zinc/78/92/49/1390789249.db2.gz JCPJZTILFLHRCV-UHFFFAOYSA-N 0 0 335.356 3.110 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001344853323 1390819510 /nfs/dbraw/zinc/81/95/10/1390819510.db2.gz HGYYYFDUNURDDX-BXUZGUMPSA-N 0 0 329.356 3.295 10 5 EGBERN O=C(OCc1ccnn1C(F)F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345532993 1390864156 /nfs/dbraw/zinc/86/41/56/1390864156.db2.gz VAHASPPGBZIFOC-OLZOCXBDSA-N 0 0 337.282 3.033 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001346104162 1390907806 /nfs/dbraw/zinc/90/78/06/1390907806.db2.gz STZQHXZIBOHUHR-KBRIMQKVSA-N 0 0 347.415 3.399 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001346196304 1390914489 /nfs/dbraw/zinc/91/44/89/1390914489.db2.gz CULIGTFOUHPHPJ-NSHDSACASA-N 0 0 335.747 3.009 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCO1 ZINC001346500903 1390947044 /nfs/dbraw/zinc/94/70/44/1390947044.db2.gz QJIMPQCWLZDLPM-AWEZNQCLSA-N 0 0 339.367 3.403 10 5 EGBERN Cc1c(CNC(=O)[C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001346878738 1390984309 /nfs/dbraw/zinc/98/43/09/1390984309.db2.gz MLFQRPRWLGGKBA-QGZVFWFLSA-N 0 0 342.395 3.076 10 5 EGBERN CSc1ccc(C(=O)NC2([C@@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001347620740 1391101065 /nfs/dbraw/zinc/10/10/65/1391101065.db2.gz SABSENBAZROLJY-AWEZNQCLSA-N 0 0 336.413 3.148 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001347890739 1391141820 /nfs/dbraw/zinc/14/18/20/1391141820.db2.gz PPABYOCFCLLTHF-HZPDHXFCSA-N 0 0 333.388 3.469 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001347985896 1391155049 /nfs/dbraw/zinc/15/50/49/1391155049.db2.gz GVHFWNZVPOHKLN-UHFFFAOYSA-N 0 0 349.778 3.181 10 5 EGBERN C[C@@H](C(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001348269603 1391196537 /nfs/dbraw/zinc/19/65/37/1391196537.db2.gz XZOGWJABHGQAOU-ABAIWWIYSA-N 0 0 336.363 3.055 10 5 EGBERN O=C(Oc1ccccc1Cl)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001348330761 1391206665 /nfs/dbraw/zinc/20/66/65/1391206665.db2.gz VGCUAYGBFCSAMX-UHFFFAOYSA-N 0 0 344.714 3.048 10 5 EGBERN O=C(Cn1ccc2ccc(F)cc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001348439638 1391219788 /nfs/dbraw/zinc/21/97/88/1391219788.db2.gz VZWRTKHQCUNPAN-UHFFFAOYSA-N 0 0 331.278 3.466 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001348994147 1391294398 /nfs/dbraw/zinc/29/43/98/1391294398.db2.gz HOJMVSXJBYEFMJ-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(CF)cc1 ZINC001349072405 1391300718 /nfs/dbraw/zinc/30/07/18/1391300718.db2.gz DESFEHKDEDPZKG-UHFFFAOYSA-N 0 0 346.314 3.478 10 5 EGBERN CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349366057 1391324150 /nfs/dbraw/zinc/32/41/50/1391324150.db2.gz WBJYNNLUOXHDSG-KRWDZBQOSA-N 0 0 347.415 3.228 10 5 EGBERN CC(C)C1(O)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001349807339 1391369685 /nfs/dbraw/zinc/36/96/85/1391369685.db2.gz QJDNXTQFDMKHQE-UHFFFAOYSA-N 0 0 346.427 3.026 10 5 EGBERN Cc1c(NC(=O)c2c(C(F)F)nc3cnccn32)cccc1[N+](=O)[O-] ZINC001349900552 1391383065 /nfs/dbraw/zinc/38/30/65/1391383065.db2.gz XCBNZGXTIVBREZ-UHFFFAOYSA-N 0 0 347.281 3.136 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(C)C)nc1 ZINC001349951215 1391390359 /nfs/dbraw/zinc/39/03/59/1391390359.db2.gz MXVRYBUJIXAHAD-UHFFFAOYSA-N 0 0 330.344 3.071 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1F ZINC001350199789 1391428633 /nfs/dbraw/zinc/42/86/33/1391428633.db2.gz OCCRQQHHGOOCRI-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1C ZINC001350226042 1391432827 /nfs/dbraw/zinc/43/28/27/1391432827.db2.gz IJVRTTUVMXQWNA-UHFFFAOYSA-N 0 0 339.351 3.349 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccnc1-n1cccn1 ZINC001350263323 1391438588 /nfs/dbraw/zinc/43/85/88/1391438588.db2.gz HYFIVBRIFVEIPL-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Nc1c(NC(=O)N[C@@H]2CCC[C@@H](F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC001350614176 1391490357 /nfs/dbraw/zinc/49/03/57/1391490357.db2.gz BQSQZYCHVDYFKI-RKDXNWHRSA-N 0 0 330.747 3.233 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001351310569 1391624849 /nfs/dbraw/zinc/62/48/49/1391624849.db2.gz BDKLPKNWFSYKIC-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001351335787 1391628412 /nfs/dbraw/zinc/62/84/12/1391628412.db2.gz GZUJGAOZFQWHQW-HUUCEWRRSA-N 0 0 327.296 3.245 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cccc2c1OC(F)(F)O2 ZINC001351357507 1391631029 /nfs/dbraw/zinc/63/10/29/1391631029.db2.gz DIGCPJDPPOOTSF-UHFFFAOYSA-N 0 0 340.213 3.308 10 5 EGBERN CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001351681963 1391669948 /nfs/dbraw/zinc/66/99/48/1391669948.db2.gz BVURMAXCKARYAK-HOTGVXAUSA-N 0 0 341.323 3.270 10 5 EGBERN CCNC(=O)c1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001352299150 1391781687 /nfs/dbraw/zinc/78/16/87/1391781687.db2.gz WGMDRXJKDZZFPC-UHFFFAOYSA-N 0 0 345.330 3.044 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC001353570316 1392041969 /nfs/dbraw/zinc/04/19/69/1392041969.db2.gz FYJDHPJSVIUFKZ-JTQLQIEISA-N 0 0 335.360 3.129 10 5 EGBERN O=C(Nc1ccc(Cl)nc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001353789227 1392089186 /nfs/dbraw/zinc/08/91/86/1392089186.db2.gz JMQYOHSEZPTAKU-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN COCc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001353897815 1392106378 /nfs/dbraw/zinc/10/63/78/1392106378.db2.gz OQUPNXQMJPSVJZ-UHFFFAOYSA-N 0 0 346.408 3.393 10 5 EGBERN Cn1nc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1-c1ccc(F)cc1 ZINC001354147439 1392122903 /nfs/dbraw/zinc/12/29/03/1392122903.db2.gz UWGTXWHPPOQVMN-UHFFFAOYSA-N 0 0 341.298 3.354 10 5 EGBERN COc1cccc([C@H](C)NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001354294214 1392136755 /nfs/dbraw/zinc/13/67/55/1392136755.db2.gz AAJASGJWBLCSCC-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CC(C)COc1ccc([C@@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC001354892934 1392175893 /nfs/dbraw/zinc/17/58/93/1392175893.db2.gz SSTUQGUFEVWNEI-CYBMUJFWSA-N 0 0 347.371 3.131 10 5 EGBERN CC[C@@H]1CN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001687733622 1396475024 /nfs/dbraw/zinc/47/50/24/1396475024.db2.gz TZHUKMITNWEXML-KFWWJZLASA-N 0 0 349.431 3.297 10 5 EGBERN CCCC1(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001494584781 1396477266 /nfs/dbraw/zinc/47/72/66/1396477266.db2.gz NFWKRVHRECDIDL-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CN(CCNC(=O)c1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001690211292 1404418435 /nfs/dbraw/zinc/41/84/35/1404418435.db2.gz VXXDMTAJLSMJTI-UHFFFAOYSA-N 0 0 349.337 3.399 10 5 EGBERN CCCN(CCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001691175663 1405112072 /nfs/dbraw/zinc/11/20/72/1405112072.db2.gz KNZOPFJDVMWQQT-UHFFFAOYSA-N 0 0 345.399 3.138 10 5 EGBERN CC/C=C(/C)C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001691202844 1405142221 /nfs/dbraw/zinc/14/22/21/1405142221.db2.gz FISMBQNCXPOMHQ-QCDXTXTGSA-N 0 0 337.445 3.093 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001695344181 1406091277 /nfs/dbraw/zinc/09/12/77/1406091277.db2.gz QOXIECXRIPAOAS-QWHCGFSZSA-N 0 0 329.404 3.498 10 5 EGBERN CCCC(CCC)C(=O)N(C)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001723792411 1424567719 /nfs/dbraw/zinc/56/77/19/1424567719.db2.gz ZPNFJQISNPLCRC-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN CC(C)=CC(=O)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001734548074 1438144267 /nfs/dbraw/zinc/14/42/67/1438144267.db2.gz ZBJWVSQGQYPMNX-UHFFFAOYSA-N 0 0 339.461 3.291 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001752221392 1440156551 /nfs/dbraw/zinc/15/65/51/1440156551.db2.gz YHYWLGCSBZSCEY-UMVBOHGHSA-N 0 0 341.415 3.356 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCSC(C)C ZINC001764708043 1441390872 /nfs/dbraw/zinc/39/08/72/1441390872.db2.gz WCIPIBYOEOEPHA-UHFFFAOYSA-N 0 0 349.460 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000368322250 168342608 /nfs/dbraw/zinc/34/26/08/168342608.db2.gz AQLKVNSRSZSIPF-KRWDZBQOSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000368475690 168360966 /nfs/dbraw/zinc/36/09/66/168360966.db2.gz VOKNZKBBMRKENW-CQSZACIVSA-N 0 0 342.399 3.298 10 5 EGBERN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000057095054 214405084 /nfs/dbraw/zinc/40/50/84/214405084.db2.gz KLLQTBGAWUKKKY-LBPRGKRZSA-N 0 0 348.428 3.415 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000171915608 529468897 /nfs/dbraw/zinc/46/88/97/529468897.db2.gz DMTQIJLBNVYXGE-LLVKDONJSA-N 0 0 330.388 3.495 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N(Cc1ccncc1)C1CC1 ZINC000058413730 214578166 /nfs/dbraw/zinc/57/81/66/214578166.db2.gz ZWZKJDPVZKECHF-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN CCc1nc(C2(NCc3cc([N+](=O)[O-])ccc3OC)CCCC2)no1 ZINC000173695405 529731508 /nfs/dbraw/zinc/73/15/08/529731508.db2.gz AYMQOOOSWVLXET-UHFFFAOYSA-N 0 0 346.387 3.108 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC000065530575 214948362 /nfs/dbraw/zinc/94/83/62/214948362.db2.gz OMGJQKBSIGGFBB-LBPRGKRZSA-N 0 0 338.367 3.233 10 5 EGBERN CCc1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000370956853 168555308 /nfs/dbraw/zinc/55/53/08/168555308.db2.gz QXHOVKZPGLXTSD-AWEZNQCLSA-N 0 0 344.371 3.216 10 5 EGBERN O=[N+]([O-])c1cccc(COc2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC000003326294 210008222 /nfs/dbraw/zinc/00/82/22/210008222.db2.gz OTCHYKFWPJSHPL-UHFFFAOYSA-N 0 0 326.268 3.025 10 5 EGBERN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(F)c1 ZINC000003302750 210002192 /nfs/dbraw/zinc/00/21/92/210002192.db2.gz QBJLREDJFQEGPE-UHFFFAOYSA-N 0 0 345.261 3.078 10 5 EGBERN CCOc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000040659590 213365424 /nfs/dbraw/zinc/36/54/24/213365424.db2.gz QQWCSCHCQKMUGJ-UHFFFAOYSA-N 0 0 339.149 3.290 10 5 EGBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1-n1cnc2ccccc21 ZINC000040647987 213364298 /nfs/dbraw/zinc/36/42/98/213364298.db2.gz XKAFBUSTBHCWGZ-UHFFFAOYSA-N 0 0 332.323 3.467 10 5 EGBERN COc1ccc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040628316 213361041 /nfs/dbraw/zinc/36/10/41/213361041.db2.gz CIODDFUAYUSKCL-UHFFFAOYSA-N 0 0 338.327 3.276 10 5 EGBERN CCOc1ncnc(Oc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040618676 213358876 /nfs/dbraw/zinc/35/88/76/213358876.db2.gz VGPSOPBOEWQDFP-UHFFFAOYSA-N 0 0 326.312 3.432 10 5 EGBERN Cc1ccc2cccc(Oc3ncnc(N(C)C)c3[N+](=O)[O-])c2n1 ZINC000040608343 213358456 /nfs/dbraw/zinc/35/84/56/213358456.db2.gz PJPAZKNECAXIPI-UHFFFAOYSA-N 0 0 325.328 3.100 10 5 EGBERN COCCNc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040611030 213358537 /nfs/dbraw/zinc/35/85/37/213358537.db2.gz WEYWNEMNCHDQBL-UHFFFAOYSA-N 0 0 332.360 3.359 10 5 EGBERN Nc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040608787 213357902 /nfs/dbraw/zinc/35/79/02/213357902.db2.gz NHCLRSANFMJWFC-UHFFFAOYSA-N 0 0 333.657 3.383 10 5 EGBERN CCN(c1ccccc1)c1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040573521 213352413 /nfs/dbraw/zinc/35/24/13/213352413.db2.gz CYSYTYJVAOLLHA-UHFFFAOYSA-N 0 0 330.392 3.258 10 5 EGBERN Cn1nccc1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182108275 234455650 /nfs/dbraw/zinc/45/56/50/234455650.db2.gz MLVMGHHPESGOIJ-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000036562540 213100736 /nfs/dbraw/zinc/10/07/36/213100736.db2.gz ZIHLCYVDHKVHQJ-HNNXBMFYSA-N 0 0 329.312 3.384 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000036562542 213100292 /nfs/dbraw/zinc/10/02/92/213100292.db2.gz ZIHLCYVDHKVHQJ-OAHLLOKOSA-N 0 0 329.312 3.384 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000072203785 216069801 /nfs/dbraw/zinc/06/98/01/216069801.db2.gz PTKJKTUAPMZJNT-QWHCGFSZSA-N 0 0 336.392 3.238 10 5 EGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1Br ZINC000037843845 213169969 /nfs/dbraw/zinc/16/99/69/213169969.db2.gz INRCFHWATKXRIQ-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191488338 239141362 /nfs/dbraw/zinc/14/13/62/239141362.db2.gz BGHJIYKFPDQEGT-ZWNOBZJWSA-N 0 0 347.396 3.472 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ncsc4Cl)no3)c2c1 ZINC000361359641 241937171 /nfs/dbraw/zinc/93/71/71/241937171.db2.gz DMSMVUCISXHOIY-UHFFFAOYSA-N 0 0 348.731 3.298 10 5 EGBERN C[C@@H](Cc1ccco1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000048552676 213945654 /nfs/dbraw/zinc/94/56/54/213945654.db2.gz RGCPPZMLWFZYFN-QMMMGPOBSA-N 0 0 326.150 3.388 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(Cl)nc1 ZINC000080912138 217339531 /nfs/dbraw/zinc/33/95/31/217339531.db2.gz MEDUPRFSNQEBKO-LLVKDONJSA-N 0 0 348.790 3.102 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000377404910 169021486 /nfs/dbraw/zinc/02/14/86/169021486.db2.gz TUYORSDQBLYMPY-IAGOWNOFSA-N 0 0 326.352 3.245 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2-c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000378278238 169094726 /nfs/dbraw/zinc/09/47/26/169094726.db2.gz VJNGIWXSFPPUDU-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(c1csc2c1CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408135740 169161312 /nfs/dbraw/zinc/16/13/12/169161312.db2.gz YWPNCMVPIIFVQA-UHFFFAOYSA-N 0 0 343.408 3.129 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C3CC3)C2)c1C ZINC000408179059 169163284 /nfs/dbraw/zinc/16/32/84/169163284.db2.gz ANXYBLHKRMDEIJ-CQSZACIVSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1csc([C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000092789826 218167399 /nfs/dbraw/zinc/16/73/99/218167399.db2.gz TZTCOQZXFUPUOZ-NBUZRDOWSA-N 0 0 345.424 3.446 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095083102 218274777 /nfs/dbraw/zinc/27/47/77/218274777.db2.gz GEUXYECEWRPHNY-NSHDSACASA-N 0 0 349.343 3.124 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2CC(=O)c2ccco2)n1 ZINC000359090728 291824949 /nfs/dbraw/zinc/82/49/49/291824949.db2.gz DURNNAHJJDICBG-CYBMUJFWSA-N 0 0 329.356 3.441 10 5 EGBERN O=C(CCSCCc1ccccn1)Nc1cccc([N+](=O)[O-])c1 ZINC000004908742 210319248 /nfs/dbraw/zinc/31/92/48/210319248.db2.gz SKVLXWCAFNQTES-UHFFFAOYSA-N 0 0 331.397 3.294 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCC(F)(F)CC1 ZINC000179035535 533221535 /nfs/dbraw/zinc/22/15/35/533221535.db2.gz YGMDTOMJFPXECN-UHFFFAOYSA-N 0 0 328.315 3.045 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119075974 221238529 /nfs/dbraw/zinc/23/85/29/221238529.db2.gz HJGCVLYDNYPZIJ-SFHVURJKSA-N 0 0 328.368 3.177 10 5 EGBERN Cc1noc(CCNC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000064345964 258062365 /nfs/dbraw/zinc/06/23/65/258062365.db2.gz RCWMRHDIOFSJBK-UHFFFAOYSA-N 0 0 332.363 3.052 10 5 EGBERN COC[C@@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184424714 533350054 /nfs/dbraw/zinc/35/00/54/533350054.db2.gz JMRHQQZSJVNUIB-YBHKSSGVSA-N 0 0 344.367 3.403 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000174718592 533552869 /nfs/dbraw/zinc/55/28/69/533552869.db2.gz SYZGFMBWVMRYRF-LLVKDONJSA-N 0 0 341.367 3.366 10 5 EGBERN Cc1sc(C(=O)NC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000054200165 132190248 /nfs/dbraw/zinc/19/02/48/132190248.db2.gz KJSZZTRAVAOOQJ-UHFFFAOYSA-N 0 0 345.424 3.364 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263490218 141051943 /nfs/dbraw/zinc/05/19/43/141051943.db2.gz IHRODJKEPJKARS-WHOFXGATSA-N 0 0 338.791 3.466 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000338034299 141077874 /nfs/dbraw/zinc/07/78/74/141077874.db2.gz BNWRGQWIPALXGY-KRWDZBQOSA-N 0 0 326.352 3.117 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000338091872 141092398 /nfs/dbraw/zinc/09/23/98/141092398.db2.gz IQQVEPOOVKCICE-MRXNPFEDSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000341243608 141142913 /nfs/dbraw/zinc/14/29/13/141142913.db2.gz QVXVSLSLILTXSJ-ZDUSSCGKSA-N 0 0 345.399 3.359 10 5 EGBERN Cc1sc(C(=O)Nc2nc3c(cccc3F)n2C)cc1[N+](=O)[O-] ZINC000344556884 141173335 /nfs/dbraw/zinc/17/33/35/141173335.db2.gz YJFVBRVBLOAKHM-UHFFFAOYSA-N 0 0 334.332 3.243 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346250659 141186365 /nfs/dbraw/zinc/18/63/65/141186365.db2.gz YMLTXYRRVHQCLO-NSHDSACASA-N 0 0 348.790 3.498 10 5 EGBERN Cc1nnccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000347931377 141219491 /nfs/dbraw/zinc/21/94/91/141219491.db2.gz LOYJDGRMHQGCOU-UHFFFAOYSA-N 0 0 332.385 3.446 10 5 EGBERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000357938884 141362109 /nfs/dbraw/zinc/36/21/09/141362109.db2.gz XEGLAAPHVFATSG-HNNXBMFYSA-N 0 0 342.399 3.259 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000348123875 142648984 /nfs/dbraw/zinc/64/89/84/142648984.db2.gz LLDXOQZDXYTCTD-UHFFFAOYSA-N 0 0 330.315 3.013 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171609835 144007796 /nfs/dbraw/zinc/00/77/96/144007796.db2.gz FMEQLBMJULKYSV-UHFFFAOYSA-N 0 0 325.368 3.085 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2c1C ZINC000172719932 144026555 /nfs/dbraw/zinc/02/65/55/144026555.db2.gz PDLOACYZBNWFHO-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN COc1cc(CN2CCC(=O)Nc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184260476 144089786 /nfs/dbraw/zinc/08/97/86/144089786.db2.gz ZFYQURCTLOTBIX-UHFFFAOYSA-N 0 0 345.330 3.091 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000185243871 144108411 /nfs/dbraw/zinc/10/84/11/144108411.db2.gz BMYMXJFQWNVOIJ-BDJLRTHQSA-N 0 0 346.362 3.314 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000344691371 144210219 /nfs/dbraw/zinc/21/02/19/144210219.db2.gz HNUPIJXJCGWGIJ-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351767414 144303750 /nfs/dbraw/zinc/30/37/50/144303750.db2.gz VIKPGJWUJUXLRL-RYUDHWBXSA-N 0 0 326.343 3.122 10 5 EGBERN Cc1cn2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000351772978 144304596 /nfs/dbraw/zinc/30/45/96/144304596.db2.gz KYAHQXORZVDWQR-UHFFFAOYSA-N 0 0 338.367 3.467 10 5 EGBERN COc1cc(CSc2n[nH]c(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000351827828 144312838 /nfs/dbraw/zinc/31/28/38/144312838.db2.gz RLWILCZVOLQZCD-UHFFFAOYSA-N 0 0 343.368 3.076 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000373507885 144511169 /nfs/dbraw/zinc/51/11/69/144511169.db2.gz JIMHGMPDZHPJLS-ZDUSSCGKSA-N 0 0 348.399 3.025 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1csc([N+](=O)[O-])c1 ZINC000374498624 144545207 /nfs/dbraw/zinc/54/52/07/144545207.db2.gz WEQARGAKUOCZIU-IUODEOHRSA-N 0 0 332.381 3.164 10 5 EGBERN COc1ccc(C(=O)N[C@H]2CCCc3nc(C)sc32)cc1[N+](=O)[O-] ZINC000374858973 144559546 /nfs/dbraw/zinc/55/95/46/144559546.db2.gz VPPXFRPXFCHQBU-LBPRGKRZSA-N 0 0 347.396 3.176 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000341276577 155225541 /nfs/dbraw/zinc/22/55/41/155225541.db2.gz GBGNLCBJAKRHCI-NEPJUHHUSA-N 0 0 332.331 3.379 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOC[C@@H]1CC1CCC1 ZINC000341396905 155268083 /nfs/dbraw/zinc/26/80/83/155268083.db2.gz CKWGGJCPQPNBCQ-ZDUSSCGKSA-N 0 0 343.383 3.107 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000184260083 286218557 /nfs/dbraw/zinc/21/85/57/286218557.db2.gz XOCHQRBWXBZKGP-CQSZACIVSA-N 0 0 334.351 3.193 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@H](c2nccs2)C1 ZINC000116275421 152054653 /nfs/dbraw/zinc/05/46/53/152054653.db2.gz OEJNIHMFPWJIEV-ZDUSSCGKSA-N 0 0 339.804 3.278 10 5 EGBERN O=C(NCc1ccccc1OC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000118266396 152133419 /nfs/dbraw/zinc/13/34/19/152133419.db2.gz JYVOJUAVDTWKSR-UHFFFAOYSA-N 0 0 326.352 3.456 10 5 EGBERN C[C@H](c1cccnc1)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836521 152156707 /nfs/dbraw/zinc/15/67/07/152156707.db2.gz NNFXLVYUJKPBCH-HZPDHXFCSA-N 0 0 340.427 3.430 10 5 EGBERN COc1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000337520600 286328918 /nfs/dbraw/zinc/32/89/18/286328918.db2.gz CLJXUIUTAXONFB-SNVBAGLBSA-N 0 0 329.303 3.255 10 5 EGBERN Cc1c(CNC(=O)c2csc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000341595288 155374389 /nfs/dbraw/zinc/37/43/89/155374389.db2.gz DDSBCTOUKZFRLY-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN Cc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1[N+](=O)[O-] ZINC000190406368 153140092 /nfs/dbraw/zinc/14/00/92/153140092.db2.gz GZBAJTIMXQVWDF-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000191641452 153213929 /nfs/dbraw/zinc/21/39/29/153213929.db2.gz FFJFDLMDEVJVPP-YPMHNXCESA-N 0 0 338.429 3.393 10 5 EGBERN CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341612225 155382727 /nfs/dbraw/zinc/38/27/27/155382727.db2.gz HPUATIAXWKVQAO-YYUOZPCZSA-N 0 0 346.408 3.213 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C(F)F ZINC000337460527 286384349 /nfs/dbraw/zinc/38/43/49/286384349.db2.gz QSHLKPAUPNLFFI-NSHDSACASA-N 0 0 329.303 3.255 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C ZINC000121312794 292291928 /nfs/dbraw/zinc/29/19/28/292291928.db2.gz UEMUWRUSZQBTMA-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C(F)F ZINC000337314823 154277711 /nfs/dbraw/zinc/27/77/11/154277711.db2.gz XWMJAAUTKDPATR-GFCCVEGCSA-N 0 0 328.315 3.010 10 5 EGBERN Cc1sc(C(=O)NCCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000337422364 154345600 /nfs/dbraw/zinc/34/56/00/154345600.db2.gz QKRKSACTEUZCEB-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(C2CCCCC2)n[nH]1 ZINC000340095341 155097998 /nfs/dbraw/zinc/09/79/98/155097998.db2.gz YXTHSEMOVUSGNY-UHFFFAOYSA-N 0 0 328.372 3.296 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2c1cccc2F ZINC000340113099 155101679 /nfs/dbraw/zinc/10/16/79/155101679.db2.gz WDRAVBUPQIUJAH-KRWDZBQOSA-N 0 0 343.358 3.263 10 5 EGBERN COC(=O)c1cc(C(=O)N2Cc3ccccc3[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000341011285 155123795 /nfs/dbraw/zinc/12/37/95/155123795.db2.gz WDWDBYUAEQWLBR-NSHDSACASA-N 0 0 340.335 3.098 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C(F)F)cc2)n1 ZINC000342843874 155542921 /nfs/dbraw/zinc/54/29/21/155542921.db2.gz TWBJJUGQAUWHTP-UHFFFAOYSA-N 0 0 337.282 3.326 10 5 EGBERN Cn1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000345195067 155987528 /nfs/dbraw/zinc/98/75/28/155987528.db2.gz ZQPOAMQRFABQTF-UHFFFAOYSA-N 0 0 336.351 3.171 10 5 EGBERN CSCCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349135805 156363605 /nfs/dbraw/zinc/36/36/05/156363605.db2.gz YVJASRNIQOECSQ-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN Cc1ccc(C[C@@H](C)C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352685776 156422853 /nfs/dbraw/zinc/42/28/53/156422853.db2.gz NVLLAPJEBAUUQZ-CQSZACIVSA-N 0 0 339.395 3.062 10 5 EGBERN COc1cc(CN[C@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000352778192 156482967 /nfs/dbraw/zinc/48/29/67/156482967.db2.gz JNKFMQTZKPBVMI-HNNXBMFYSA-N 0 0 346.387 3.351 10 5 EGBERN COC(=O)c1cc(N(C)Cc2cnccc2C)cc(C)c1[N+](=O)[O-] ZINC000360107735 156920089 /nfs/dbraw/zinc/92/00/89/156920089.db2.gz LVMKQIWWGAKHGE-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000368756580 157281170 /nfs/dbraw/zinc/28/11/70/157281170.db2.gz ILGCGUDODYRXDE-LBPRGKRZSA-N 0 0 326.418 3.244 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000368765993 157285041 /nfs/dbraw/zinc/28/50/41/157285041.db2.gz UCOOSSIKOJPJKG-INIZCTEOSA-N 0 0 334.416 3.193 10 5 EGBERN COc1ccc(F)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000093788414 162028603 /nfs/dbraw/zinc/02/86/03/162028603.db2.gz OFCZSYHCSCLQFU-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN COCc1csc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000094151787 162041259 /nfs/dbraw/zinc/04/12/59/162041259.db2.gz MGVNELCIJKMIRU-UHFFFAOYSA-N 0 0 335.385 3.375 10 5 EGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000128899549 162339993 /nfs/dbraw/zinc/33/99/93/162339993.db2.gz RRFCAWXVPOOVIJ-CXAGYDPISA-N 0 0 340.379 3.208 10 5 EGBERN Cc1sc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151767004 162601121 /nfs/dbraw/zinc/60/11/21/162601121.db2.gz WVRLEHYDRSSNOZ-BONVTDFDSA-N 0 0 346.408 3.429 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCCc1cc(F)ccc1F ZINC000177107192 162629475 /nfs/dbraw/zinc/62/94/75/162629475.db2.gz YMCGOXSTHMOFGR-UHFFFAOYSA-N 0 0 349.337 3.034 10 5 EGBERN COCc1ccsc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000182061912 162811873 /nfs/dbraw/zinc/81/18/73/162811873.db2.gz HSGPRVJIBHADOW-UHFFFAOYSA-N 0 0 332.381 3.396 10 5 EGBERN CC(C)NC(=O)c1ccccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000184427549 162838234 /nfs/dbraw/zinc/83/82/34/162838234.db2.gz FKDVALHIIMCFCJ-UHFFFAOYSA-N 0 0 327.384 3.388 10 5 EGBERN O=C(COc1ccsc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000337075635 163122526 /nfs/dbraw/zinc/12/25/26/163122526.db2.gz CACLPTCIMSXTRD-UHFFFAOYSA-N 0 0 340.788 3.047 10 5 EGBERN COc1cc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337137960 163141352 /nfs/dbraw/zinc/14/13/52/163141352.db2.gz OOJAMGZBWQBCHW-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC2CCC(c3nc(C)no3)CC2)c1 ZINC000338675214 163314683 /nfs/dbraw/zinc/31/46/83/163314683.db2.gz BQZRZZDRRPSYDW-UHFFFAOYSA-N 0 0 332.360 3.433 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)cc1C ZINC000354763772 166025622 /nfs/dbraw/zinc/02/56/22/166025622.db2.gz DIXCLWPGWBTCIF-GJZGRUSLSA-N 0 0 346.408 3.046 10 5 EGBERN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000343673680 164009275 /nfs/dbraw/zinc/00/92/75/164009275.db2.gz RKRDALLEKPXTLO-LLVKDONJSA-N 0 0 342.417 3.144 10 5 EGBERN Cc1cc2cc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)ccc2[nH]1 ZINC000343833093 164046505 /nfs/dbraw/zinc/04/65/05/164046505.db2.gz DYFLPCXPFQKRMG-UHFFFAOYSA-N 0 0 349.350 3.067 10 5 EGBERN O=[N+]([O-])c1c(NCCCNc2ccccc2F)nc2sccn21 ZINC000343890038 164058912 /nfs/dbraw/zinc/05/89/12/164058912.db2.gz RQJHYOXIHGXLRZ-UHFFFAOYSA-N 0 0 335.364 3.357 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960082 164072947 /nfs/dbraw/zinc/07/29/47/164072947.db2.gz HTSMDJBEMPLUHC-GXTWGEPZSA-N 0 0 347.415 3.052 10 5 EGBERN CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000344200016 164125211 /nfs/dbraw/zinc/12/52/11/164125211.db2.gz NRTXTTNPXLLHLI-YPMHNXCESA-N 0 0 333.294 3.035 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ncccc1C ZINC000344230960 164131792 /nfs/dbraw/zinc/13/17/92/164131792.db2.gz WJDGQZQFLHXTMB-UHFFFAOYSA-N 0 0 335.310 3.172 10 5 EGBERN CC(C)c1ccccc1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344287062 164146798 /nfs/dbraw/zinc/14/67/98/164146798.db2.gz KWQFOIOQCVFXJE-UHFFFAOYSA-N 0 0 327.384 3.454 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000344427192 164176701 /nfs/dbraw/zinc/17/67/01/164176701.db2.gz ZULUSPKATSPQNP-QGZVFWFLSA-N 0 0 327.340 3.324 10 5 EGBERN O=C(NC1(CCO)CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344438161 164178584 /nfs/dbraw/zinc/17/85/84/164178584.db2.gz SWILBUCACCUNFU-UHFFFAOYSA-N 0 0 332.356 3.156 10 5 EGBERN C[C@@H](NC(=O)NCC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344455309 164182289 /nfs/dbraw/zinc/18/22/89/164182289.db2.gz SOSHPOCFBDLHEA-SECBINFHSA-N 0 0 331.294 3.298 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(CC2(C(F)(F)F)CC2)n1 ZINC000345535214 164212345 /nfs/dbraw/zinc/21/23/45/164212345.db2.gz ZTDQZLCCJPEINK-UHFFFAOYSA-N 0 0 327.262 3.454 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CNC2=O ZINC000345554782 164214005 /nfs/dbraw/zinc/21/40/05/164214005.db2.gz XIYIRUHJXGTLNZ-UHFFFAOYSA-N 0 0 345.742 3.052 10 5 EGBERN O=C(NCCCNc1ccccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345697215 164246371 /nfs/dbraw/zinc/24/63/71/164246371.db2.gz QQWWUNFQAFGKTR-UHFFFAOYSA-N 0 0 335.310 3.105 10 5 EGBERN Cc1cccc(C(=O)NCCCNc2ccccc2F)c1[N+](=O)[O-] ZINC000345705101 164248151 /nfs/dbraw/zinc/24/81/51/164248151.db2.gz DBFKCJKTUNXWOQ-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN Cc1c(C(=O)NCCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000345706839 164248989 /nfs/dbraw/zinc/24/89/89/164248989.db2.gz FORRPNSTFJFRNO-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN COC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000345858579 164281172 /nfs/dbraw/zinc/28/11/72/164281172.db2.gz ZAFHFCLNVHPXNT-UHFFFAOYSA-N 0 0 343.383 3.078 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000346088701 164334039 /nfs/dbraw/zinc/33/40/39/164334039.db2.gz UJPSYVVQERLBAQ-UFBFGSQYSA-N 0 0 331.294 3.211 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3[C@H](C)[C@@H]3c3ccccc3)n2)n1C ZINC000347130447 164448917 /nfs/dbraw/zinc/44/89/17/164448917.db2.gz CFOMGLXZGRZZQS-OASPWFOLSA-N 0 0 339.355 3.204 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000354939356 166069730 /nfs/dbraw/zinc/06/97/30/166069730.db2.gz VSQZABJAYVHJDX-HOTGVXAUSA-N 0 0 346.427 3.409 10 5 EGBERN CC[C@@H](NCc1nc2ccc(OC)nc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000355004896 166084656 /nfs/dbraw/zinc/08/46/56/166084656.db2.gz KQCIEOJBTRFWIO-CYBMUJFWSA-N 0 0 341.371 3.116 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351642896 165110326 /nfs/dbraw/zinc/11/03/26/165110326.db2.gz HBCGOQSJYJFCGW-SMDDNHRTSA-N 0 0 349.412 3.059 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351677864 165128683 /nfs/dbraw/zinc/12/86/83/165128683.db2.gz YSPWPENADBJXKV-FVKWTLKZSA-N 0 0 340.383 3.089 10 5 EGBERN COc1cc(CNc2cccc(C[S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000352034788 165202771 /nfs/dbraw/zinc/20/27/71/165202771.db2.gz HPSYMSLEJRPHBL-HSZRJFAPSA-N 0 0 334.397 3.094 10 5 EGBERN COc1ccc(NC(=O)CN2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000352201336 165280408 /nfs/dbraw/zinc/28/04/08/165280408.db2.gz RQMNCCOBNFIKSL-UHFFFAOYSA-N 0 0 347.415 3.054 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352229963 165297631 /nfs/dbraw/zinc/29/76/31/165297631.db2.gz WHMMNWSTPHJLIS-QPUJVOFHSA-N 0 0 341.289 3.489 10 5 EGBERN COc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422880 165394497 /nfs/dbraw/zinc/39/44/97/165394497.db2.gz LMRYXGPYCDCDHI-RDJZCZTQSA-N 0 0 332.400 3.137 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355114264 166110318 /nfs/dbraw/zinc/11/03/18/166110318.db2.gz OSHFDOBKXDMTDX-FZMZJTMJSA-N 0 0 342.342 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000355163914 166121367 /nfs/dbraw/zinc/12/13/67/166121367.db2.gz MYSFPEARWVOFJY-KPZWWZAWSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1cc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000355175943 166123739 /nfs/dbraw/zinc/12/37/39/166123739.db2.gz KETLKRKKVIOVOF-SGTLLEGYSA-N 0 0 334.416 3.210 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000355378843 166179852 /nfs/dbraw/zinc/17/98/52/166179852.db2.gz COSJHJJADDTOKW-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN Cc1nn(Cc2ccc3c(c2)OCCO3)c2ccc([N+](=O)[O-])cc12 ZINC000355442742 166201951 /nfs/dbraw/zinc/20/19/51/166201951.db2.gz FYILKLUAAOFKCF-UHFFFAOYSA-N 0 0 325.324 3.072 10 5 EGBERN COc1cc(CN(C)c2ccc([N+](=O)[O-])nc2)c(SC)cc1OC ZINC000355752017 166297526 /nfs/dbraw/zinc/29/75/26/166297526.db2.gz KUJHYGHLZJOMGE-UHFFFAOYSA-N 0 0 349.412 3.365 10 5 EGBERN Cc1nn(C)c(-c2nc(Cc3c(C)cc(C)cc3C)no2)c1[N+](=O)[O-] ZINC000355822094 166320490 /nfs/dbraw/zinc/32/04/90/166320490.db2.gz IGRBCEITGWGWAJ-UHFFFAOYSA-N 0 0 341.371 3.203 10 5 EGBERN COc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000355872237 166333960 /nfs/dbraw/zinc/33/39/60/166333960.db2.gz WQHCKQSQNGVZMP-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000355937016 166352847 /nfs/dbraw/zinc/35/28/47/166352847.db2.gz GLRWIWWKRNEIJS-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCc2cccnc21 ZINC000356019633 166376832 /nfs/dbraw/zinc/37/68/32/166376832.db2.gz IEVCACULYCKHTP-HNNXBMFYSA-N 0 0 342.399 3.494 10 5 EGBERN CC(C)n1ncnc1CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000357194355 166610528 /nfs/dbraw/zinc/61/05/28/166610528.db2.gz WMQTWYMUNDQHHO-UHFFFAOYSA-N 0 0 340.181 3.142 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCc2ccc(C)o2)c1 ZINC000358933918 167011530 /nfs/dbraw/zinc/01/15/30/167011530.db2.gz URAQOYSJVGLTRB-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCc2ncccc21 ZINC000358993607 167030779 /nfs/dbraw/zinc/03/07/79/167030779.db2.gz ZJGJAZDHUGDUCT-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccnc1 ZINC000358996472 167031687 /nfs/dbraw/zinc/03/16/87/167031687.db2.gz XIBQYGUANBLQLB-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)Nc2c(C)cccc2C)n1 ZINC000359081457 167062182 /nfs/dbraw/zinc/06/21/82/167062182.db2.gz JFPZBWXIKUXCQA-UHFFFAOYSA-N 0 0 328.372 3.274 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC2(N3CCOCC3)CCCCC2)n1 ZINC000359082818 167062540 /nfs/dbraw/zinc/06/25/40/167062540.db2.gz MYKKRRGYMHLQDU-UHFFFAOYSA-N 0 0 348.447 3.054 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000359083562 167062574 /nfs/dbraw/zinc/06/25/74/167062574.db2.gz OSRRUHPDJIYSKO-UHFFFAOYSA-N 0 0 348.790 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2ncn(-c3ccccc3)n2)n1 ZINC000359110885 167069225 /nfs/dbraw/zinc/06/92/25/167069225.db2.gz TXUKNNRJLDQYDD-UHFFFAOYSA-N 0 0 327.369 3.339 10 5 EGBERN Cc1noc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000359378397 167141184 /nfs/dbraw/zinc/14/11/84/167141184.db2.gz LNIZXPCXTJEKOF-SECBINFHSA-N 0 0 339.735 3.259 10 5 EGBERN Cc1c(CNC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000359534328 167182250 /nfs/dbraw/zinc/18/22/50/167182250.db2.gz RGONARSVCRDFQN-YOEHRIQHSA-N 0 0 349.431 3.034 10 5 EGBERN CCC(=O)c1ccc(NCc2nnc(C3CCC3)n2C)c([N+](=O)[O-])c1 ZINC000359561682 167193741 /nfs/dbraw/zinc/19/37/41/167193741.db2.gz DEAYOCKFJHGFEM-UHFFFAOYSA-N 0 0 343.387 3.196 10 5 EGBERN COC(=O)c1cc(F)cc(NCc2csc([N+](=O)[O-])c2)c1F ZINC000359671929 167206725 /nfs/dbraw/zinc/20/67/25/167206725.db2.gz AZGSSPSHDVDHNH-UHFFFAOYSA-N 0 0 328.296 3.333 10 5 EGBERN CCN(CC)C(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359873334 167254357 /nfs/dbraw/zinc/25/43/57/167254357.db2.gz ICYZIKNZRSOKSE-UHFFFAOYSA-N 0 0 337.395 3.127 10 5 EGBERN Cn1cc(C(=O)NCCC2(F)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000360225681 167275852 /nfs/dbraw/zinc/27/58/52/167275852.db2.gz LSWMMQZHQDGBLU-UHFFFAOYSA-N 0 0 346.362 3.007 10 5 EGBERN Cc1c(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])oc2ccccc12 ZINC000360280266 167288665 /nfs/dbraw/zinc/28/86/65/167288665.db2.gz UZFSTTZRHFQHEK-UHFFFAOYSA-N 0 0 325.324 3.360 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367453130 168227900 /nfs/dbraw/zinc/22/79/00/168227900.db2.gz YHSVOCQVQXLMRF-SFHVURJKSA-N 0 0 334.416 3.385 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2occ3c2CCOC3)cc1[N+](=O)[O-] ZINC000367605633 168247795 /nfs/dbraw/zinc/24/77/95/168247795.db2.gz HUEOIUMNCUSPDI-NSHDSACASA-N 0 0 331.324 3.487 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCC2)no1 ZINC000171793893 227285548 /nfs/dbraw/zinc/28/55/48/227285548.db2.gz ZSIROVXNOMXWPY-JTQLQIEISA-N 0 0 330.344 3.126 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1c(Cl)cccc1Cl ZINC000155899972 264821682 /nfs/dbraw/zinc/82/16/82/264821682.db2.gz FGNIZZPOWLDFDN-UHFFFAOYSA-N 0 0 343.170 3.070 10 5 EGBERN COc1ncc(C)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174354278 265045557 /nfs/dbraw/zinc/04/55/57/265045557.db2.gz ZJABKLWSQTUYKE-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1cc(F)ccc1F ZINC000174875199 265076458 /nfs/dbraw/zinc/07/64/58/265076458.db2.gz SQHVDSTVFMRJMH-UHFFFAOYSA-N 0 0 349.337 3.257 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175733485 265132309 /nfs/dbraw/zinc/13/23/09/265132309.db2.gz RBDONDBSJJUNLC-CYBMUJFWSA-N 0 0 345.403 3.008 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176686471 265197385 /nfs/dbraw/zinc/19/73/85/265197385.db2.gz MCRBJSFEHSEJTM-HUUCEWRRSA-N 0 0 337.420 3.406 10 5 EGBERN CC[C@H](NC(=O)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000177787511 265278069 /nfs/dbraw/zinc/27/80/69/265278069.db2.gz IYXRBNPWDWOHQM-AWEZNQCLSA-N 0 0 328.324 3.205 10 5 EGBERN O=C1NCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000178788473 265342432 /nfs/dbraw/zinc/34/24/32/265342432.db2.gz HOZYYKVRFOPATO-SNVBAGLBSA-N 0 0 335.410 3.108 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000180502402 265405119 /nfs/dbraw/zinc/40/51/19/265405119.db2.gz TZQCLYULUITBLH-LLVKDONJSA-N 0 0 333.310 3.395 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000185104578 265484030 /nfs/dbraw/zinc/48/40/30/265484030.db2.gz UFOWVJHHFMSEBS-ZDUSSCGKSA-N 0 0 335.331 3.169 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188459343 265680696 /nfs/dbraw/zinc/68/06/96/265680696.db2.gz NQUYKCXIEMPUMY-CQSZACIVSA-N 0 0 340.379 3.063 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189653766 265781972 /nfs/dbraw/zinc/78/19/72/265781972.db2.gz IEVHKGUDUPVUQC-HOCLYGCPSA-N 0 0 334.416 3.237 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000191538359 265912311 /nfs/dbraw/zinc/91/23/11/265912311.db2.gz CFYJJBRSFQTOFC-LBPRGKRZSA-N 0 0 346.387 3.089 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)n1 ZINC000191540710 265912626 /nfs/dbraw/zinc/91/26/26/265912626.db2.gz KXTQQVKVYAPBIF-HNNXBMFYSA-N 0 0 348.378 3.468 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000195063028 266158894 /nfs/dbraw/zinc/15/88/94/266158894.db2.gz PTMVUERXTNAGRK-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1OC(F)F ZINC000195508471 266186520 /nfs/dbraw/zinc/18/65/20/266186520.db2.gz OLMYCOSRAJMPED-UHFFFAOYSA-N 0 0 331.300 3.273 10 5 EGBERN O=[N+]([O-])c1nn(C[C@H]2CCC3(CCCCC3)O2)cc1Br ZINC000228020611 266200720 /nfs/dbraw/zinc/20/07/20/266200720.db2.gz XRQLVBGWHQXKFZ-SNVBAGLBSA-N 0 0 344.209 3.436 10 5 EGBERN Cc1nc2cc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])ccc2o1 ZINC000269424110 266291025 /nfs/dbraw/zinc/29/10/25/266291025.db2.gz YBPAUAUXBRICKP-UHFFFAOYSA-N 0 0 329.316 3.143 10 5 EGBERN CCc1nn(C)c(CC)c1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000269954050 266389220 /nfs/dbraw/zinc/38/92/20/266389220.db2.gz KAXFOSSQEZYKHN-UHFFFAOYSA-N 0 0 336.367 3.213 10 5 EGBERN COC1CCC(N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273462195 267042816 /nfs/dbraw/zinc/04/28/16/267042816.db2.gz ZSZYTZGXUJNNPX-OUKQBFOZSA-N 0 0 332.400 3.414 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOCCC(C)C ZINC000276509032 267563033 /nfs/dbraw/zinc/56/30/33/267563033.db2.gz AVWOKSGBFLPQDH-UHFFFAOYSA-N 0 0 328.796 3.349 10 5 EGBERN C[C@@H](CO)[C@@H](C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278445230 268014768 /nfs/dbraw/zinc/01/47/68/268014768.db2.gz KVSCTVFOKHOWQD-NKWVEPMBSA-N 0 0 343.252 3.073 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1noc2ccccc21 ZINC000103376848 274411557 /nfs/dbraw/zinc/41/15/57/274411557.db2.gz PZAXNHIUPNGPBP-LLVKDONJSA-N 0 0 337.335 3.256 10 5 EGBERN Cc1cncn1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000376742237 274828756 /nfs/dbraw/zinc/82/87/56/274828756.db2.gz MUQSMFVUVKKBFS-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cc3n(n2)CCc2nc4ccccc4n2-3)cc1 ZINC000012486074 275034512 /nfs/dbraw/zinc/03/45/12/275034512.db2.gz VUKHRKIQZRQORK-UHFFFAOYSA-N 0 0 331.335 3.353 10 5 EGBERN O=c1c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])sn1-c1ccc(F)cc1 ZINC000004689445 275043088 /nfs/dbraw/zinc/04/30/88/275043088.db2.gz XNQGGNMXUSXFNJ-UHFFFAOYSA-N 0 0 335.272 3.008 10 5 EGBERN Cc1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000103326284 275161527 /nfs/dbraw/zinc/16/15/27/275161527.db2.gz JVUCCIXMBGRCCR-ZFWWWQNUSA-N 0 0 347.415 3.173 10 5 EGBERN Cc1cccc(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377591 275161794 /nfs/dbraw/zinc/16/17/94/275161794.db2.gz CJMLNNGFZTWKMT-ZDUSSCGKSA-N 0 0 326.352 3.260 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)F)cc1 ZINC000184589101 275212760 /nfs/dbraw/zinc/21/27/60/275212760.db2.gz YQOBLXQRPKVAJN-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278915147 275287190 /nfs/dbraw/zinc/28/71/90/275287190.db2.gz WETKIEDRTCHBIM-MNOVXSKESA-N 0 0 345.321 3.196 10 5 EGBERN Cc1ccc(CN(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])o1 ZINC000279073754 275301637 /nfs/dbraw/zinc/30/16/37/275301637.db2.gz GGMVRYBVVVSWFD-UHFFFAOYSA-N 0 0 340.738 3.490 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280537691 275462531 /nfs/dbraw/zinc/46/25/31/275462531.db2.gz HSBQKZMLAAFPCM-LBPRGKRZSA-N 0 0 343.177 3.173 10 5 EGBERN COC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCC1 ZINC000280554711 275464656 /nfs/dbraw/zinc/46/46/56/275464656.db2.gz IZAHQGRPPWJNSW-UHFFFAOYSA-N 0 0 343.177 3.173 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1 ZINC000285667647 275901244 /nfs/dbraw/zinc/90/12/44/275901244.db2.gz YDOPBRMTAHFUHD-KVSKMBFKSA-N 0 0 346.427 3.449 10 5 EGBERN CCN(CCc1nccs1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286225177 275966562 /nfs/dbraw/zinc/96/65/62/275966562.db2.gz NSUOFTPRECPSTE-UHFFFAOYSA-N 0 0 335.414 3.125 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287293482 276105080 /nfs/dbraw/zinc/10/50/80/276105080.db2.gz UTEYMJFQJOWMJO-UHFFFAOYSA-N 0 0 345.403 3.158 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC(F)F ZINC000287610335 276139275 /nfs/dbraw/zinc/13/92/75/276139275.db2.gz PCWBUHIMIDEGNN-LLVKDONJSA-N 0 0 343.330 3.100 10 5 EGBERN CCOC1CC(N(C)C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000287812996 276159754 /nfs/dbraw/zinc/15/97/54/276159754.db2.gz XCKLFBIISBFNIN-UYSNPLJNSA-N 0 0 335.404 3.255 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1Cc1ccccc1OC ZINC000288187526 276189436 /nfs/dbraw/zinc/18/94/36/276189436.db2.gz ROQPJRFHLWAZBM-HNNXBMFYSA-N 0 0 344.415 3.340 10 5 EGBERN Cc1sc(C(=O)N2CCOc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000288551077 276226668 /nfs/dbraw/zinc/22/66/68/276226668.db2.gz VPFWYOLDEAVUAK-UHFFFAOYSA-N 0 0 332.381 3.308 10 5 EGBERN CC(C)OCc1nc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000289423975 276337033 /nfs/dbraw/zinc/33/70/33/276337033.db2.gz CMBBWJZAKULMCH-NWDGAFQWSA-N 0 0 334.376 3.315 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCCCc2nccs2)cc1[N+](=O)[O-] ZINC000290848030 276550289 /nfs/dbraw/zinc/55/02/89/276550289.db2.gz ZSSPAKJTKFWJSZ-GFCCVEGCSA-N 0 0 348.428 3.353 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292169872 276744466 /nfs/dbraw/zinc/74/44/66/276744466.db2.gz FWYMXCAMPQPQEJ-CPCISQLKSA-N 0 0 333.171 3.056 10 5 EGBERN COc1cc(NCC[C@@H](OC)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000344973755 277385486 /nfs/dbraw/zinc/38/54/86/277385486.db2.gz BRSQPFFWWOIXSQ-LLVKDONJSA-N 0 0 326.246 3.122 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCOc2ccccc21 ZINC000103374949 278038510 /nfs/dbraw/zinc/03/85/10/278038510.db2.gz BNYHSZZRVKDJOD-MLGOLLRUSA-N 0 0 338.363 3.439 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000340561903 278041395 /nfs/dbraw/zinc/04/13/95/278041395.db2.gz AWQWPYVZHJANQH-AWEZNQCLSA-N 0 0 338.363 3.223 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000367841363 278592222 /nfs/dbraw/zinc/59/22/22/278592222.db2.gz FUICWNMHOBOXRR-PIGZYNQJSA-N 0 0 328.372 3.260 10 5 EGBERN Cc1cc(N2CC[C@@]3(C2)CCCOC3)c2cccc([N+](=O)[O-])c2n1 ZINC000376488109 278715238 /nfs/dbraw/zinc/71/52/38/278715238.db2.gz NWYAXSRWSIZALU-GOSISDBHSA-N 0 0 327.384 3.458 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000376039743 279158184 /nfs/dbraw/zinc/15/81/84/279158184.db2.gz ULINDQOVCSGGIH-UHFFFAOYSA-N 0 0 337.379 3.376 10 5 EGBERN O=C(c1cccs1)N1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000225724128 280216941 /nfs/dbraw/zinc/21/69/41/280216941.db2.gz MLCIAOGIDZWWOL-UHFFFAOYSA-N 0 0 349.387 3.148 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1Cc2ccccc2[C@H]1C ZINC000361061538 281261150 /nfs/dbraw/zinc/26/11/50/281261150.db2.gz HVMDWGKVVYFLPA-CYBMUJFWSA-N 0 0 325.368 3.419 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCOc3cccc(F)c3C1)CCN2 ZINC000337794975 304804816 /nfs/dbraw/zinc/80/48/16/304804816.db2.gz FNRCIJBKBATEJD-UHFFFAOYSA-N 0 0 329.331 3.101 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000055712871 307341448 /nfs/dbraw/zinc/34/14/48/307341448.db2.gz BWKSCSCKMWLKKW-HNNXBMFYSA-N 0 0 331.759 3.369 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2cccs2)cc1C ZINC000060497383 307351363 /nfs/dbraw/zinc/35/13/63/307351363.db2.gz DVFNOQIOOBAEBS-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000060548442 307351559 /nfs/dbraw/zinc/35/15/59/307351559.db2.gz VFMGMORHLFXJFY-LBPRGKRZSA-N 0 0 341.367 3.437 10 5 EGBERN CCOC(=O)CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000065684358 307359778 /nfs/dbraw/zinc/35/97/78/307359778.db2.gz RNUWEQZMDPIHDH-UHFFFAOYSA-N 0 0 334.397 3.222 10 5 EGBERN CSc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000065892759 307360486 /nfs/dbraw/zinc/36/04/86/307360486.db2.gz DKWHKYGYTSUAIB-UHFFFAOYSA-N 0 0 331.397 3.045 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000413876736 309051032 /nfs/dbraw/zinc/05/10/32/309051032.db2.gz KSRQRQJLEIEFIN-DGCLKSJQSA-N 0 0 338.354 3.358 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC000080802005 307435392 /nfs/dbraw/zinc/43/53/92/307435392.db2.gz AJQQKJWKKLAXCG-GHMZBOCLSA-N 0 0 340.426 3.127 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000089874619 307454533 /nfs/dbraw/zinc/45/45/33/307454533.db2.gz KLBLZQOFYHKXDN-LLVKDONJSA-N 0 0 337.376 3.065 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413997914 309055838 /nfs/dbraw/zinc/05/58/38/309055838.db2.gz VUVDCYFUHROIJD-OAHLLOKOSA-N 0 0 325.368 3.333 10 5 EGBERN Cc1c2ccccc2sc1C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127279819 307582329 /nfs/dbraw/zinc/58/23/29/307582329.db2.gz ATKQTVWYVOCJJJ-UHFFFAOYSA-N 0 0 342.376 3.471 10 5 EGBERN CCc1ccc([C@@H](N[C@@H]2CCC[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414133074 309062734 /nfs/dbraw/zinc/06/27/34/309062734.db2.gz ATCJAJNRYOYNAL-NUJGCVRESA-N 0 0 330.384 3.343 10 5 EGBERN Cc1ccn(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000151937380 307742212 /nfs/dbraw/zinc/74/22/12/307742212.db2.gz ZLLKLFJYMHCGBC-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN CC(C)N(C1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153071218 307765480 /nfs/dbraw/zinc/76/54/80/307765480.db2.gz SFXKLAVWNFXVKM-UHFFFAOYSA-N 0 0 326.418 3.078 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000154178411 307789643 /nfs/dbraw/zinc/78/96/43/307789643.db2.gz HIWVWKVTJCXHMY-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N(CC1CC1)CC1CC1 ZINC000155274537 307811146 /nfs/dbraw/zinc/81/11/46/307811146.db2.gz OLKZJGZEUFZELZ-UHFFFAOYSA-N 0 0 325.368 3.405 10 5 EGBERN Cc1cccc(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414384031 309076856 /nfs/dbraw/zinc/07/68/56/309076856.db2.gz TUHTVRWNFDDCAX-UHFFFAOYSA-N 0 0 334.397 3.345 10 5 EGBERN Cc1ccc(F)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000414411935 309078492 /nfs/dbraw/zinc/07/84/92/309078492.db2.gz KWMGTZOLHYQARM-UHFFFAOYSA-N 0 0 337.372 3.466 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000255672104 308057318 /nfs/dbraw/zinc/05/73/18/308057318.db2.gz IPEOCLNZKAWWBO-DAXSKMNVSA-N 0 0 349.346 3.292 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293393619 308126715 /nfs/dbraw/zinc/12/67/15/308126715.db2.gz GAYWZTVMWWVYHR-UKRRQHHQSA-N 0 0 340.807 3.112 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC(C)(C)C[C@H]1C ZINC000414509896 309085657 /nfs/dbraw/zinc/08/56/57/309085657.db2.gz GQDAOQPOHBRALR-GFCCVEGCSA-N 0 0 329.404 3.498 10 5 EGBERN CSC[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000294647688 308241803 /nfs/dbraw/zinc/24/18/03/308241803.db2.gz MROVUAVEJSUXQD-NSHDSACASA-N 0 0 333.413 3.291 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294786441 308256815 /nfs/dbraw/zinc/25/68/15/308256815.db2.gz AOTRBPOKHBFEOM-NEPJUHHUSA-N 0 0 328.372 3.246 10 5 EGBERN Cc1ccc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000295085496 308289478 /nfs/dbraw/zinc/28/94/78/308289478.db2.gz DUGMNZSECHBTAD-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000295253698 308307782 /nfs/dbraw/zinc/30/77/82/308307782.db2.gz KHSXVCDBKFVKPC-LLVKDONJSA-N 0 0 326.356 3.062 10 5 EGBERN Cc1nn(CC(=O)N(Cc2ccco2)C2=CCCCC2)cc1[N+](=O)[O-] ZINC000295392072 308322022 /nfs/dbraw/zinc/32/20/22/308322022.db2.gz RAPJEXQGVSFMSX-UHFFFAOYSA-N 0 0 344.371 3.179 10 5 EGBERN Cc1c(C(=O)NCCCC(C)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000295419554 308325009 /nfs/dbraw/zinc/32/50/09/308325009.db2.gz CQIBHBIPBMXSQP-UHFFFAOYSA-N 0 0 345.302 3.285 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](C)(F)C2)cc1SC ZINC000295489300 308332110 /nfs/dbraw/zinc/33/21/10/308332110.db2.gz JGVYNUDEXWGSDH-HNNXBMFYSA-N 0 0 342.392 3.290 10 5 EGBERN Cc1cc(Cc2noc(-c3cnc(C4CC4)nc3)n2)ccc1[N+](=O)[O-] ZINC000296774206 308465543 /nfs/dbraw/zinc/46/55/43/308465543.db2.gz KOMKXQLHABEHKT-UHFFFAOYSA-N 0 0 337.339 3.211 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000296904871 308479111 /nfs/dbraw/zinc/47/91/11/308479111.db2.gz KOOKMTJJPPVBNB-ISBHARSQSA-N 0 0 332.400 3.008 10 5 EGBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000414744714 309098443 /nfs/dbraw/zinc/09/84/43/309098443.db2.gz OTZALRPSFANNDU-QAPCUYQASA-N 0 0 326.327 3.369 10 5 EGBERN CC[C@H](NC(=O)NCCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000297630790 308551521 /nfs/dbraw/zinc/55/15/21/308551521.db2.gz CJPPBXJEPLLBBZ-HNNXBMFYSA-N 0 0 335.404 3.304 10 5 EGBERN CC[C@H]1CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000297790080 308563914 /nfs/dbraw/zinc/56/39/14/308563914.db2.gz OIOKSLAETOZSNV-VIFPVBQESA-N 0 0 328.166 3.374 10 5 EGBERN O=C(c1ccc(NCCC2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301085584 308687519 /nfs/dbraw/zinc/68/75/19/308687519.db2.gz KWRYZWTZIWFOSP-UHFFFAOYSA-N 0 0 347.415 3.059 10 5 EGBERN CNC(=O)c1ccc(Nc2cccc([C@@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000301157127 308690174 /nfs/dbraw/zinc/69/01/74/308690174.db2.gz QKFINHTUCQYBQA-LLVKDONJSA-N 0 0 329.356 3.405 10 5 EGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1Cl ZINC000301160077 308690180 /nfs/dbraw/zinc/69/01/80/308690180.db2.gz OXCJBQHDBKWHTA-UHFFFAOYSA-N 0 0 348.790 3.132 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000301181299 308690918 /nfs/dbraw/zinc/69/09/18/308690918.db2.gz IBBLZBCJARNRKV-UHFFFAOYSA-N 0 0 339.254 3.272 10 5 EGBERN CCS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000301236975 308693050 /nfs/dbraw/zinc/69/30/50/308693050.db2.gz MNNIDXCBMWQCIY-CYBMUJFWSA-N 0 0 338.429 3.493 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000301261092 308693865 /nfs/dbraw/zinc/69/38/65/308693865.db2.gz BLPAJLHLVYQOLA-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN NC(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301485697 308702083 /nfs/dbraw/zinc/70/20/83/308702083.db2.gz WXURHNDHYIEIAA-RKDXNWHRSA-N 0 0 331.294 3.070 10 5 EGBERN CCc1ccccc1NC(=O)CN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301753093 308713882 /nfs/dbraw/zinc/71/38/82/308713882.db2.gz VXQBTFSFMWZJQA-UHFFFAOYSA-N 0 0 348.790 3.281 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301759988 308714223 /nfs/dbraw/zinc/71/42/23/308714223.db2.gz ZQXLYYFHVVULJR-ZUZCIYMTSA-N 0 0 333.775 3.472 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000301764333 308714352 /nfs/dbraw/zinc/71/43/52/308714352.db2.gz NCSALEWWHDQASI-NHYWBVRUSA-N 0 0 326.368 3.486 10 5 EGBERN O=C1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCN1c1ccccc1 ZINC000301763755 308714365 /nfs/dbraw/zinc/71/43/65/308714365.db2.gz CIVOGKSUBODHRO-AWEZNQCLSA-N 0 0 333.294 3.090 10 5 EGBERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000301768262 308714420 /nfs/dbraw/zinc/71/44/20/308714420.db2.gz IRGULAVGMVENJX-CYBMUJFWSA-N 0 0 335.404 3.478 10 5 EGBERN COc1ccc([C@@H](C)CCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301992005 308724407 /nfs/dbraw/zinc/72/44/07/308724407.db2.gz NAODLLUNVDMDSI-LBPRGKRZSA-N 0 0 341.371 3.252 10 5 EGBERN C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026372 308725810 /nfs/dbraw/zinc/72/58/10/308725810.db2.gz IEMTXMKAVRDUPC-DIFFPNOSSA-N 0 0 334.347 3.150 10 5 EGBERN CC1(C)CCC[C@@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302467432 308737702 /nfs/dbraw/zinc/73/77/02/308737702.db2.gz BSRBUEJHPGXIAZ-SFHVURJKSA-N 0 0 347.415 3.223 10 5 EGBERN CO[C@@H](C)[C@H](C)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302721174 308743051 /nfs/dbraw/zinc/74/30/51/308743051.db2.gz PHVXKVSLOACKMO-BQBZGAKWSA-N 0 0 337.254 3.357 10 5 EGBERN COc1cc(NC[C@@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1F ZINC000302767880 308744773 /nfs/dbraw/zinc/74/47/73/308744773.db2.gz MCDUMNREHXASMO-LLVKDONJSA-N 0 0 336.367 3.328 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302817472 308746874 /nfs/dbraw/zinc/74/68/74/308746874.db2.gz MIVXWLXHBRXFSH-GFCCVEGCSA-N 0 0 337.395 3.111 10 5 EGBERN CC[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330777384 308798635 /nfs/dbraw/zinc/79/86/35/308798635.db2.gz AAUHXDBJRLXILY-JTQLQIEISA-N 0 0 328.315 3.458 10 5 EGBERN CC[C@H](NC(=O)c1cnc(C(C)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000412155156 308971962 /nfs/dbraw/zinc/97/19/62/308971962.db2.gz DGYXWOCIRYYGJN-LBPRGKRZSA-N 0 0 333.369 3.135 10 5 EGBERN CC[C@H](NC(=O)C[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000412170530 308972646 /nfs/dbraw/zinc/97/26/46/308972646.db2.gz SUEFBHWTFNZAPU-LRDDRELGSA-N 0 0 330.388 3.089 10 5 EGBERN CO[C@@](C)([C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000412598872 308993122 /nfs/dbraw/zinc/99/31/22/308993122.db2.gz QGIAPPHVXVLFNV-BTDLBPIBSA-N 0 0 331.372 3.010 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCC3(CO)CC4(CCC4)C3)c2c1 ZINC000413258186 309023887 /nfs/dbraw/zinc/02/38/87/309023887.db2.gz BWPCJBLSDRTJAU-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN COC(=O)c1cc(NC[C@H]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000413330920 309027242 /nfs/dbraw/zinc/02/72/42/309027242.db2.gz GXRYNMAXOJJEKC-LBPRGKRZSA-N 0 0 336.388 3.307 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(C2CCC2)CCC1 ZINC000413345895 309027956 /nfs/dbraw/zinc/02/79/56/309027956.db2.gz YLRWXQXIGNNSAJ-UHFFFAOYSA-N 0 0 338.429 3.381 10 5 EGBERN C[C@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000413457832 309032928 /nfs/dbraw/zinc/03/29/28/309032928.db2.gz OMKNPMOQPUPLPH-SECBINFHSA-N 0 0 329.784 3.057 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC1(C)C ZINC000416087027 309157795 /nfs/dbraw/zinc/15/77/95/309157795.db2.gz WYTNOKYDHJIBTQ-BXUZGUMPSA-N 0 0 326.343 3.356 10 5 EGBERN C[C@@H]1[C@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C ZINC000416119650 309159484 /nfs/dbraw/zinc/15/94/84/309159484.db2.gz SONPKJBXHQJUTI-BBBLOLIVSA-N 0 0 328.315 3.313 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c(C)cc1[N+](=O)[O-] ZINC000416523347 309172797 /nfs/dbraw/zinc/17/27/97/309172797.db2.gz KIBOUTMZDBVJQL-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN CC(C)(C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416641645 309175648 /nfs/dbraw/zinc/17/56/48/309175648.db2.gz ZBHFWCRXEMCFPX-HUUCEWRRSA-N 0 0 340.445 3.229 10 5 EGBERN O=[N+]([O-])c1cc(CNc2ccc(F)cc2N2CCOCC2)cs1 ZINC000417064587 309191676 /nfs/dbraw/zinc/19/16/76/309191676.db2.gz PQRAMYOLTZIIJT-UHFFFAOYSA-N 0 0 337.376 3.244 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000418135355 309237192 /nfs/dbraw/zinc/23/71/92/309237192.db2.gz AMTATCJNKFEQGJ-CQSZACIVSA-N 0 0 333.413 3.403 10 5 EGBERN O=C1NCCC[C@H]1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419436487 309267191 /nfs/dbraw/zinc/26/71/91/309267191.db2.gz DNAVIDQKFUNWET-LLVKDONJSA-N 0 0 334.319 3.125 10 5 EGBERN CCc1[nH]nc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c1[N+](=O)[O-] ZINC000420497972 309288507 /nfs/dbraw/zinc/28/85/07/309288507.db2.gz BJMGOKHNRYKDTO-JTQLQIEISA-N 0 0 327.344 3.391 10 5 EGBERN C[C@@H]1CC[C@H](O)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420628296 309290826 /nfs/dbraw/zinc/29/08/26/309290826.db2.gz FECMGUWUGVDYND-RISCZKNCSA-N 0 0 331.347 3.146 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000420844525 309297824 /nfs/dbraw/zinc/29/78/24/309297824.db2.gz NIQFZRQQPYWOEJ-GXTWGEPZSA-N 0 0 349.456 3.488 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC000421257254 309317557 /nfs/dbraw/zinc/31/75/57/309317557.db2.gz AYFLVTDTKYBGIP-OAHLLOKOSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000421573448 309330263 /nfs/dbraw/zinc/33/02/63/309330263.db2.gz IOUQBRPRKLIWLC-HNNXBMFYSA-N 0 0 332.400 3.243 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000421787875 309340156 /nfs/dbraw/zinc/34/01/56/309340156.db2.gz VVYMBFFMWKDHEX-PBHICJAKSA-N 0 0 334.416 3.273 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000421794691 309340391 /nfs/dbraw/zinc/34/03/91/309340391.db2.gz CZGGUHNPNWKQGT-HOCLYGCPSA-N 0 0 334.416 3.081 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000422241481 309358996 /nfs/dbraw/zinc/35/89/96/309358996.db2.gz RPLCXNXVDITVMC-PBHICJAKSA-N 0 0 347.415 3.226 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425033483 309463161 /nfs/dbraw/zinc/46/31/61/309463161.db2.gz DYSOIPXKIBRCOH-WFASDCNBSA-N 0 0 348.399 3.177 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)F)C1 ZINC000425088338 309465690 /nfs/dbraw/zinc/46/56/90/309465690.db2.gz NAHNBQJXGGQOIM-VIFPVBQESA-N 0 0 330.356 3.189 10 5 EGBERN COc1ccc(C[NH2+][C@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752601 309514983 /nfs/dbraw/zinc/51/49/83/309514983.db2.gz DJHUNYXLWJQBHE-KGLIPLIRSA-N 0 0 336.388 3.117 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2ccccc2n1 ZINC000427261425 309526002 /nfs/dbraw/zinc/52/60/02/309526002.db2.gz XPFODVFQXOPAND-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN COc1cc(C)cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1C ZINC000428058549 309541352 /nfs/dbraw/zinc/54/13/52/309541352.db2.gz FXNCMYFVHBIIIR-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN Cc1c(NC(=O)c2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000431226069 309628086 /nfs/dbraw/zinc/62/80/86/309628086.db2.gz UZMYMEKLSKDTAK-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCC[C@H]([C@H]4CCOC4)C3)ccnc21 ZINC000432313637 309656958 /nfs/dbraw/zinc/65/69/58/309656958.db2.gz OEPLWAJKEBFIFP-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000436363948 309753815 /nfs/dbraw/zinc/75/38/15/309753815.db2.gz BEWZOBYUHFRESR-UHFFFAOYSA-N 0 0 338.371 3.046 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000438894641 309822074 /nfs/dbraw/zinc/82/20/74/309822074.db2.gz MKBZVJGEKOUPSZ-UHFFFAOYSA-N 0 0 347.298 3.172 10 5 EGBERN Cc1c(CC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000438924059 309822430 /nfs/dbraw/zinc/82/24/30/309822430.db2.gz VZFJTDPLEUQDBC-KRWDZBQOSA-N 0 0 344.415 3.083 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000438943573 309822873 /nfs/dbraw/zinc/82/28/73/309822873.db2.gz BWQHSMDUOMCYLQ-GHMZBOCLSA-N 0 0 326.780 3.102 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c2ncccc12 ZINC000439078985 309825820 /nfs/dbraw/zinc/82/58/20/309825820.db2.gz RXKFHMXPHNVOKC-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439276534 309830273 /nfs/dbraw/zinc/83/02/73/309830273.db2.gz QKEXKNCSKRESGR-NEPJUHHUSA-N 0 0 338.791 3.137 10 5 EGBERN CCc1nc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)no1 ZINC000441757094 309876342 /nfs/dbraw/zinc/87/63/42/309876342.db2.gz HMTHZNMAWSBWLP-UHFFFAOYSA-N 0 0 347.375 3.214 10 5 EGBERN Cn1cc([C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000444672158 309925240 /nfs/dbraw/zinc/92/52/40/309925240.db2.gz FMPPSLZWNQQQOE-INIZCTEOSA-N 0 0 342.403 3.082 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2csc3ccccc23)n1 ZINC000445577393 309943687 /nfs/dbraw/zinc/94/36/87/309943687.db2.gz QERIXOBADJZJAO-UHFFFAOYSA-N 0 0 341.352 3.184 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(C(F)F)c1 ZINC000446028114 309953607 /nfs/dbraw/zinc/95/36/07/309953607.db2.gz IGMCPHPLLGUUIB-UHFFFAOYSA-N 0 0 330.678 3.401 10 5 EGBERN CCc1ccc(C(=O)Nc2c(F)cccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000446112505 309956352 /nfs/dbraw/zinc/95/63/52/309956352.db2.gz PRHJOIODNYEIJV-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN CC[C@@H](C)[C@](C)(O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446310501 309960069 /nfs/dbraw/zinc/96/00/69/309960069.db2.gz HHOUEPUBMRRSRT-MEBBXXQBSA-N 0 0 328.796 3.084 10 5 EGBERN CCCN(CCc1ccccn1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447695864 309985949 /nfs/dbraw/zinc/98/59/49/309985949.db2.gz ZCLXPTRCFINQLT-UHFFFAOYSA-N 0 0 325.372 3.325 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1ccc([N+](=O)[O-])cc1 ZINC000448488537 310004657 /nfs/dbraw/zinc/00/46/57/310004657.db2.gz BUVBTLFMASWNQN-UHFFFAOYSA-N 0 0 327.271 3.063 10 5 EGBERN CC[C@H](NC(=O)[C@H]1Cc2cccc(C)c2O1)c1cccc([N+](=O)[O-])c1 ZINC000450052745 310100919 /nfs/dbraw/zinc/10/09/19/310100919.db2.gz MPMAFMJFPBJTEX-DLBZAZTESA-N 0 0 340.379 3.474 10 5 EGBERN COC(=O)Cc1ccc(NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000450525203 310128167 /nfs/dbraw/zinc/12/81/67/310128167.db2.gz QQBPPUCMOBABDH-UHFFFAOYSA-N 0 0 332.278 3.065 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000450657642 310135483 /nfs/dbraw/zinc/13/54/83/310135483.db2.gz LWALNSCJKIDZCY-YJBOKZPZSA-N 0 0 330.359 3.208 10 5 EGBERN Cc1cccc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450659032 310135634 /nfs/dbraw/zinc/13/56/34/310135634.db2.gz PDZZAQITWUCNKT-YJBOKZPZSA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000450679063 310136759 /nfs/dbraw/zinc/13/67/59/310136759.db2.gz IXWPNGFETVSCTD-AXAPSJFSSA-N 0 0 338.379 3.262 10 5 EGBERN Cc1cccc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450868078 310146909 /nfs/dbraw/zinc/14/69/09/310146909.db2.gz HXUVPKXXDXJOTN-LLVKDONJSA-N 0 0 331.338 3.224 10 5 EGBERN O=C(CSC1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000451764489 310196366 /nfs/dbraw/zinc/19/63/66/310196366.db2.gz SKCJDKVUMHTRBA-UHFFFAOYSA-N 0 0 331.191 3.191 10 5 EGBERN O=C(CN1CC2(CCC2)[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000451860494 310200746 /nfs/dbraw/zinc/20/07/46/310200746.db2.gz UGHBPQWWHNWLOC-KRWDZBQOSA-N 0 0 341.367 3.354 10 5 EGBERN CC(C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000451866175 310201013 /nfs/dbraw/zinc/20/10/13/310201013.db2.gz KXUVKXUUNSMTHF-UHFFFAOYSA-N 0 0 332.809 3.105 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452590181 310233495 /nfs/dbraw/zinc/23/34/95/310233495.db2.gz OCGHUWPPJGYTJD-LZLYRXPVSA-N 0 0 346.427 3.313 10 5 EGBERN Cc1c(CC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452811298 310243061 /nfs/dbraw/zinc/24/30/61/310243061.db2.gz DJIDUZHORYWVHB-RHSMWYFYSA-N 0 0 334.416 3.013 10 5 EGBERN CC(C)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)C ZINC000452959004 310250743 /nfs/dbraw/zinc/25/07/43/310250743.db2.gz BXWHAARCLKZDRD-DOTOQJQBSA-N 0 0 347.415 3.095 10 5 EGBERN CC[C@@](C)(OC)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453240811 310266114 /nfs/dbraw/zinc/26/61/14/310266114.db2.gz SRUMLZARMQSVMN-MRXNPFEDSA-N 0 0 332.360 3.275 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](NCc2nnc(C3CC3)[nH]2)c2ccccc2)c1 ZINC000453272234 310268337 /nfs/dbraw/zinc/26/83/37/310268337.db2.gz HWFJHUXZCSEPJM-GOSISDBHSA-N 0 0 349.394 3.470 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000454146729 310294550 /nfs/dbraw/zinc/29/45/50/310294550.db2.gz MFKLXUGTTJIWCH-ZMSDIMECSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454860405 310333070 /nfs/dbraw/zinc/33/30/70/310333070.db2.gz VBBFLTZOHGEPKP-RHSMWYFYSA-N 0 0 349.431 3.154 10 5 EGBERN CC(C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCC1 ZINC000456147076 310390616 /nfs/dbraw/zinc/39/06/16/310390616.db2.gz NVOSNLLDFLUTFW-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456238797 310394495 /nfs/dbraw/zinc/39/44/95/310394495.db2.gz BASVTIUITFQCHT-YOEHRIQHSA-N 0 0 330.384 3.254 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000456600875 310414468 /nfs/dbraw/zinc/41/44/68/310414468.db2.gz WXYPMKFCLGCHJG-HOTGVXAUSA-N 0 0 348.399 3.023 10 5 EGBERN CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457986803 310481682 /nfs/dbraw/zinc/48/16/82/310481682.db2.gz GUFNECZRFNDCSX-GHMZBOCLSA-N 0 0 328.315 3.361 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCc2ccncn2)cc1[N+](=O)[O-] ZINC000459554522 310560442 /nfs/dbraw/zinc/56/04/42/310560442.db2.gz DDGZOJNWVCNZGN-UHFFFAOYSA-N 0 0 329.360 3.004 10 5 EGBERN O=C(c1ccn(C2CCCCC2)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470739758 310726508 /nfs/dbraw/zinc/72/65/08/310726508.db2.gz FAGPSAKGLBXVRJ-UHFFFAOYSA-N 0 0 340.383 3.499 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000471586495 310739506 /nfs/dbraw/zinc/73/95/06/310739506.db2.gz CTTFROMWJQCQMM-GXSJLCMTSA-N 0 0 331.294 3.077 10 5 EGBERN COc1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000474187208 310787645 /nfs/dbraw/zinc/78/76/45/310787645.db2.gz BQFHPTCBGPKFJM-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000476146268 310822862 /nfs/dbraw/zinc/82/28/62/310822862.db2.gz IFBTXCRNBLZSLG-HNNXBMFYSA-N 0 0 326.352 3.384 10 5 EGBERN C[C@@H]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000481611828 310918071 /nfs/dbraw/zinc/91/80/71/310918071.db2.gz SNWBCMBVPPDNEJ-IPYPFGDCSA-N 0 0 340.445 3.087 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc12 ZINC000486934375 311002563 /nfs/dbraw/zinc/00/25/63/311002563.db2.gz BFEGICARQOMKER-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN COc1ccc(OC)c(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000487915349 311042760 /nfs/dbraw/zinc/04/27/60/311042760.db2.gz KGNAEGBZPVYVHM-UHFFFAOYSA-N 0 0 339.351 3.194 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cnn(-c2ccccc2)c1 ZINC000487925428 311043041 /nfs/dbraw/zinc/04/30/41/311043041.db2.gz WUINPGJFLLBOOH-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN CC(C)c1noc(CCCNc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC000488060502 311049591 /nfs/dbraw/zinc/04/95/91/311049591.db2.gz WZLJYXKZBMIHEB-UHFFFAOYSA-N 0 0 341.371 3.116 10 5 EGBERN COC(=O)c1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000488090533 311050848 /nfs/dbraw/zinc/05/08/48/311050848.db2.gz SFQFCZBBBKZQJO-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CN(CCC(=O)OC(C)(C)C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488131674 311052446 /nfs/dbraw/zinc/05/24/46/311052446.db2.gz ZAHPDYGUQMDMQP-UHFFFAOYSA-N 0 0 331.372 3.311 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000488798381 311080404 /nfs/dbraw/zinc/08/04/04/311080404.db2.gz OGOFUDLGXDDZGC-LLVKDONJSA-N 0 0 344.408 3.323 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000488905856 311084185 /nfs/dbraw/zinc/08/41/85/311084185.db2.gz FKYILLNOGPCDFU-UHFFFAOYSA-N 0 0 344.302 3.261 10 5 EGBERN CC(=O)[C@@H](C)CCCCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000489800953 311121377 /nfs/dbraw/zinc/12/13/77/311121377.db2.gz HTHRIBILXRKRIS-JTQLQIEISA-N 0 0 332.360 3.165 10 5 EGBERN COc1ccc(/C=C\C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492364324 311242299 /nfs/dbraw/zinc/24/22/99/311242299.db2.gz IRSSWQKDJGZEQM-KIWPFMIBSA-N 0 0 326.352 3.494 10 5 EGBERN Cn1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000497460395 311860219 /nfs/dbraw/zinc/86/02/19/311860219.db2.gz ARGGQRPJLGEAQK-OAHLLOKOSA-N 0 0 333.775 3.468 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501124234 311939404 /nfs/dbraw/zinc/93/94/04/311939404.db2.gz HQAUCGBBZVKYEH-BXUZGUMPSA-N 0 0 335.404 3.439 10 5 EGBERN Cc1ccccc1-c1noc(=O)n1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000505531325 312025445 /nfs/dbraw/zinc/02/54/45/312025445.db2.gz ASJAXAFGWLFSGG-UHFFFAOYSA-N 0 0 347.277 3.046 10 5 EGBERN CC(C)(C)c1ccc(NC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000506267446 312046125 /nfs/dbraw/zinc/04/61/25/312046125.db2.gz FJLDCSUFUWMQCH-LBPRGKRZSA-N 0 0 340.445 3.129 10 5 EGBERN Cc1cccc(N2CCC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000509498887 312118719 /nfs/dbraw/zinc/11/87/19/312118719.db2.gz DUTHKEZQWTZWGK-IBGZPJMESA-N 0 0 326.396 3.434 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000511944807 312172738 /nfs/dbraw/zinc/17/27/38/312172738.db2.gz RSNSJUJHCQVDBC-LBPRGKRZSA-N 0 0 333.310 3.120 10 5 EGBERN Cc1cc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000515494728 312285861 /nfs/dbraw/zinc/28/58/61/312285861.db2.gz YKCNPLSXDIHVKA-MLGOLLRUSA-N 0 0 347.415 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCCC2)c(Cl)c1 ZINC000515727062 312295610 /nfs/dbraw/zinc/29/56/10/312295610.db2.gz AFDHKJIHXDSMMV-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000518928151 312433215 /nfs/dbraw/zinc/43/32/15/312433215.db2.gz WWLBVYMPNXMDAY-LBPRGKRZSA-N 0 0 333.775 3.216 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530431565 313535019 /nfs/dbraw/zinc/53/50/19/313535019.db2.gz VMCROSRZGOXXKE-APPZFPTMSA-N 0 0 342.277 3.021 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Br ZINC000532137742 313759320 /nfs/dbraw/zinc/75/93/20/313759320.db2.gz ZTTMUWYYDPPPNY-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000534271682 313964368 /nfs/dbraw/zinc/96/43/68/313964368.db2.gz UZKSZHPJDUMIGS-CHWSQXEVSA-N 0 0 342.399 3.344 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc([C@H]2CCCOC2)c1 ZINC000534307558 313969668 /nfs/dbraw/zinc/96/96/68/313969668.db2.gz FFRGHVJQTJZYOJ-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN O=C(Nc1nc2c(s1)CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535322669 314040970 /nfs/dbraw/zinc/04/09/70/314040970.db2.gz SUTZLYWQSGUVPZ-UHFFFAOYSA-N 0 0 344.396 3.130 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000537449582 314182139 /nfs/dbraw/zinc/18/21/39/314182139.db2.gz LYNPRBSLHOCNLG-GFCCVEGCSA-N 0 0 330.340 3.318 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000538239907 314234409 /nfs/dbraw/zinc/23/44/09/314234409.db2.gz IARMDMMPNIEAAD-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN C[C@](NC(=O)c1ccc([N+](=O)[O-])cn1)(c1ccccc1)C(F)(F)F ZINC000541877247 314500029 /nfs/dbraw/zinc/50/00/29/314500029.db2.gz ZUTXGOXHSYLDRE-AWEZNQCLSA-N 0 0 339.273 3.197 10 5 EGBERN CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1ccccc1Cl ZINC000545100301 314734500 /nfs/dbraw/zinc/73/45/00/314734500.db2.gz SYMWJSYQHFEPAA-CYBMUJFWSA-N 0 0 346.730 3.429 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000547865134 314949713 /nfs/dbraw/zinc/94/97/13/314949713.db2.gz IVXQWZCMDAEAPH-INIZCTEOSA-N 0 0 340.383 3.315 10 5 EGBERN C[C@H]1C[C@H](C)N1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424344 315008137 /nfs/dbraw/zinc/00/81/37/315008137.db2.gz QZECVFMOYKWYIW-QWRGUYRKSA-N 0 0 346.412 3.140 10 5 EGBERN C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000548749258 315042759 /nfs/dbraw/zinc/04/27/59/315042759.db2.gz LUKKHHGBTRRLEC-OUJBWJOFSA-N 0 0 330.306 3.498 10 5 EGBERN CC(C)(c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1)C(F)(F)F ZINC000552519962 315223749 /nfs/dbraw/zinc/22/37/49/315223749.db2.gz BMBGZVNFHVTXAB-UHFFFAOYSA-N 0 0 342.277 3.410 10 5 EGBERN O=c1[nH]c(NCCCCC2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000553064112 315243524 /nfs/dbraw/zinc/24/35/24/315243524.db2.gz GMOGKZMLARRKGE-UHFFFAOYSA-N 0 0 330.388 3.438 10 5 EGBERN Cc1cc(F)ccc1CN(C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553245557 315252844 /nfs/dbraw/zinc/25/28/44/315252844.db2.gz YJKSKSHARBZJHK-UHFFFAOYSA-N 0 0 342.330 3.328 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(F)c1F ZINC000554363818 315313264 /nfs/dbraw/zinc/31/32/64/315313264.db2.gz LTYUSDQPQFQXKG-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(N2CCOCC2)c1 ZINC000559068629 315616334 /nfs/dbraw/zinc/61/63/34/315616334.db2.gz ZNUWUTGIKNAVHQ-UHFFFAOYSA-N 0 0 327.384 3.352 10 5 EGBERN Cc1ccc([C@@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000561214586 315749634 /nfs/dbraw/zinc/74/96/34/315749634.db2.gz WWWCVPXMPNCISJ-LBPRGKRZSA-N 0 0 338.367 3.190 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562390075 315827151 /nfs/dbraw/zinc/82/71/51/315827151.db2.gz XEUPCSKQTFIUDK-KKXDTOCCSA-N 0 0 340.379 3.140 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC([C@H]3CCCO3)CC1)CCCC2 ZINC000564323565 316137394 /nfs/dbraw/zinc/13/73/94/316137394.db2.gz SIPOHFFGNGNTDZ-QGZVFWFLSA-N 0 0 331.416 3.264 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000564329685 316137860 /nfs/dbraw/zinc/13/78/60/316137860.db2.gz DAVUYIMSLXELDX-UHFFFAOYSA-N 0 0 326.352 3.277 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCC(OC)CC1 ZINC000564442542 316153243 /nfs/dbraw/zinc/15/32/43/316153243.db2.gz GLILONSPQLGLPQ-UHFFFAOYSA-N 0 0 335.404 3.484 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CCC2)C1 ZINC000564634928 316178717 /nfs/dbraw/zinc/17/87/17/316178717.db2.gz HNZHAUBFWWHBHL-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN COc1ccc(C)cc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000564727708 316195323 /nfs/dbraw/zinc/19/53/23/316195323.db2.gz QHHUQRAFDKMVRN-UHFFFAOYSA-N 0 0 328.368 3.001 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000564813733 316210322 /nfs/dbraw/zinc/21/03/22/316210322.db2.gz SGQVULVQQLFDLZ-UHFFFAOYSA-N 0 0 340.335 3.131 10 5 EGBERN O=C(Nc1ccccc1)C1(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475309 316483464 /nfs/dbraw/zinc/48/34/64/316483464.db2.gz XWDYXVKSRQFCAZ-INIZCTEOSA-N 0 0 337.379 3.343 10 5 EGBERN O=C([C@@H]1CCCC[C@H]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567590795 316639921 /nfs/dbraw/zinc/63/99/21/316639921.db2.gz CITKMHFIJDNYJS-JKSUJKDBSA-N 0 0 346.431 3.171 10 5 EGBERN CC[C@@H]1[C@H](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569657941 316943067 /nfs/dbraw/zinc/94/30/67/316943067.db2.gz RCEQKJNUPSMSJC-SJKOYZFVSA-N 0 0 344.415 3.449 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(F)(c4ccccn4)CC3)nc2c1 ZINC000572488700 317347050 /nfs/dbraw/zinc/34/70/50/317347050.db2.gz RHNNTTFYSZBMEM-UHFFFAOYSA-N 0 0 341.346 3.331 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ccccn2)n1 ZINC000171305105 323229251 /nfs/dbraw/zinc/22/92/51/323229251.db2.gz SCOMYFXKHLYHHH-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cccc(OC(F)F)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171450180 323235970 /nfs/dbraw/zinc/23/59/70/323235970.db2.gz CSFFLADUUFOGQH-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000173685921 323297630 /nfs/dbraw/zinc/29/76/30/323297630.db2.gz UJROIEODLHUGON-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN COCc1csc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183999442 323638269 /nfs/dbraw/zinc/63/82/69/323638269.db2.gz VZQIGJDZOVBWMK-QMMMGPOBSA-N 0 0 339.348 3.079 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCC4(CCCCC4)O3)[nH]c2c1 ZINC000447694975 324339692 /nfs/dbraw/zinc/33/96/92/324339692.db2.gz UQQQRIUGPIKCLT-ZDUSSCGKSA-N 0 0 330.388 3.187 10 5 EGBERN CO[C@@](C)(c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000577446209 324806596 /nfs/dbraw/zinc/80/65/96/324806596.db2.gz HHDUUXGVUPFIRK-OAHLLOKOSA-N 0 0 337.763 3.494 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCC(C)(F)F)cc2[N+](=O)[O-])C1 ZINC000578806430 325020164 /nfs/dbraw/zinc/02/01/64/325020164.db2.gz VGICNZRQIRPDPO-NSHDSACASA-N 0 0 341.358 3.216 10 5 EGBERN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579556110 325125910 /nfs/dbraw/zinc/12/59/10/325125910.db2.gz HXKANQFZSPBFHN-SLEUVZQESA-N 0 0 327.384 3.171 10 5 EGBERN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579788772 325157737 /nfs/dbraw/zinc/15/77/37/325157737.db2.gz KTCYYJRFALVFIT-HNNXBMFYSA-N 0 0 339.395 3.047 10 5 EGBERN COc1cc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)ccc1O ZINC000580067589 325198557 /nfs/dbraw/zinc/19/85/57/325198557.db2.gz ASFKWYCXDMAAJT-UHFFFAOYSA-N 0 0 343.383 3.219 10 5 EGBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000580188384 325215342 /nfs/dbraw/zinc/21/53/42/325215342.db2.gz KQIJGWAADGETAC-CQSZACIVSA-N 0 0 344.459 3.179 10 5 EGBERN Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580332541 325236311 /nfs/dbraw/zinc/23/63/11/325236311.db2.gz YYQUEINEEXMPIR-LBPRGKRZSA-N 0 0 335.404 3.135 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCc1cccs1 ZINC000580372893 325240248 /nfs/dbraw/zinc/24/02/48/325240248.db2.gz RRVDQWXWHQINEN-UHFFFAOYSA-N 0 0 340.351 3.226 10 5 EGBERN C[C@@H]1C[C@@H]1N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000582952819 325483033 /nfs/dbraw/zinc/48/30/33/325483033.db2.gz GHLFHOQDCBIIKH-RISCZKNCSA-N 0 0 340.335 3.379 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000189577380 455219494 /nfs/dbraw/zinc/21/94/94/455219494.db2.gz LMFQQOJRKSXOBT-CQSZACIVSA-N 0 0 348.305 3.435 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464813122 458776841 /nfs/dbraw/zinc/77/68/41/458776841.db2.gz HCIROOPGUXRSMW-WDEREUQCSA-N 0 0 325.796 3.307 10 5 EGBERN O=C(NC(=S)Nc1ccccc1Cl)c1csc([N+](=O)[O-])c1 ZINC000000143308 452519873 /nfs/dbraw/zinc/51/98/73/452519873.db2.gz FWNVLKZVIQONRV-UHFFFAOYSA-N 0 0 341.801 3.437 10 5 EGBERN O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000003030384 452739878 /nfs/dbraw/zinc/73/98/78/452739878.db2.gz UNOUYVWCUBEKIJ-UHFFFAOYSA-N 0 0 326.374 3.204 10 5 EGBERN CN(N[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004323126 452799931 /nfs/dbraw/zinc/79/99/31/452799931.db2.gz HUQQEZAXNGJWGK-CQSZACIVSA-N 0 0 333.731 3.058 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)s1 ZINC000181367146 455323783 /nfs/dbraw/zinc/32/37/83/455323783.db2.gz VCEUTRPMCGLHFH-UHFFFAOYSA-N 0 0 336.753 3.250 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(C(F)(F)F)CCCC1 ZINC000600693746 460570668 /nfs/dbraw/zinc/57/06/68/460570668.db2.gz HGRVXZORTINXQC-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN Cc1sc2ncnc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000007814857 453120746 /nfs/dbraw/zinc/12/07/46/453120746.db2.gz AXWSXUZKVHSKRB-CYBMUJFWSA-N 0 0 344.396 3.362 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600762900 460595151 /nfs/dbraw/zinc/59/51/51/460595151.db2.gz XKKPJZUVSGKFKP-UGSOOPFHSA-N 0 0 340.383 3.390 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600770951 460595997 /nfs/dbraw/zinc/59/59/97/460595997.db2.gz FEPRLYCSAPVFFU-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc([N+](=O)[O-])c1 ZINC000600776033 460598618 /nfs/dbraw/zinc/59/86/18/460598618.db2.gz VVDOCNPJQOJVLH-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600804714 460611004 /nfs/dbraw/zinc/61/10/04/460611004.db2.gz PARLJZGNSZYBKJ-AWEZNQCLSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000028837782 453825040 /nfs/dbraw/zinc/82/50/40/453825040.db2.gz AHCCUSPXMVZPBT-ZDUSSCGKSA-N 0 0 349.412 3.125 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000029907816 453832662 /nfs/dbraw/zinc/83/26/62/453832662.db2.gz GNVMKHZXZJDIHI-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000030270424 453834678 /nfs/dbraw/zinc/83/46/78/453834678.db2.gz ZGQOAPHOEMPNRK-VIFPVBQESA-N 0 0 347.396 3.414 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052711144 453842253 /nfs/dbraw/zinc/84/22/53/453842253.db2.gz FYZIOTXUXLCJLX-UHFFFAOYSA-N 0 0 329.356 3.446 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 ZINC000066524293 453850012 /nfs/dbraw/zinc/85/00/12/453850012.db2.gz HBEXYSPYNWRNPN-VIFPVBQESA-N 0 0 330.369 3.414 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000032470008 453874913 /nfs/dbraw/zinc/87/49/13/453874913.db2.gz UBSOCBFLTICEEF-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN CN(Cc1cc(Br)cs1)c1ccncc1[N+](=O)[O-] ZINC000066809172 453875608 /nfs/dbraw/zinc/87/56/08/453875608.db2.gz DBPDPCPDRSEDNT-UHFFFAOYSA-N 0 0 328.191 3.450 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066813877 453876355 /nfs/dbraw/zinc/87/63/55/453876355.db2.gz NFKUIEVBVUQQSZ-HNNXBMFYSA-N 0 0 337.738 3.360 10 5 EGBERN COc1ccccc1CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066812233 453876507 /nfs/dbraw/zinc/87/65/07/453876507.db2.gz MCPYMNJPYLOALX-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000075292472 453876491 /nfs/dbraw/zinc/87/64/91/453876491.db2.gz XVSCMKFZQQYIEA-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN COc1ccc(CCNc2ccncc2[N+](=O)[O-])cc1OC(F)F ZINC000066811972 453876662 /nfs/dbraw/zinc/87/66/62/453876662.db2.gz SPGRYDXSWIGEDO-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000066851607 453880241 /nfs/dbraw/zinc/88/02/41/453880241.db2.gz YCZFCTMFGIHRBH-BEFAXECRSA-N 0 0 342.395 3.436 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000053476204 453882105 /nfs/dbraw/zinc/88/21/05/453882105.db2.gz RZEDFGSREKGNDZ-HNNXBMFYSA-N 0 0 326.352 3.411 10 5 EGBERN COc1ccc(OC)c(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000053582766 453889563 /nfs/dbraw/zinc/88/95/63/453889563.db2.gz BRPOZZSYMRRJKT-UHFFFAOYSA-N 0 0 344.367 3.469 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000033058065 453902747 /nfs/dbraw/zinc/90/27/47/453902747.db2.gz HIBAEVOCGVSXOY-NSHDSACASA-N 0 0 345.424 3.146 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000181790283 455382197 /nfs/dbraw/zinc/38/21/97/455382197.db2.gz LJCHYLKRLTXOOI-UFBFGSQYSA-N 0 0 347.293 3.303 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000036624329 453928789 /nfs/dbraw/zinc/92/87/89/453928789.db2.gz AXOIFLBEIQDDKD-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067512138 453937343 /nfs/dbraw/zinc/93/73/43/453937343.db2.gz VMJMDPFROCFNDX-RDJZCZTQSA-N 0 0 337.379 3.455 10 5 EGBERN COc1ccc2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000054758789 453944935 /nfs/dbraw/zinc/94/49/35/453944935.db2.gz JUKMCULRBIGVNE-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN Cc1csc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000067858061 453972997 /nfs/dbraw/zinc/97/29/97/453972997.db2.gz DHUQSBSHZVQHQO-NSHDSACASA-N 0 0 344.396 3.192 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000067859348 453973499 /nfs/dbraw/zinc/97/34/99/453973499.db2.gz HSEXFCLYZMBQDX-NSHDSACASA-N 0 0 335.385 3.006 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000076399487 453997152 /nfs/dbraw/zinc/99/71/52/453997152.db2.gz LZZVJQQABOFKKS-GFCCVEGCSA-N 0 0 331.338 3.226 10 5 EGBERN COc1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000084651658 454004050 /nfs/dbraw/zinc/00/40/50/454004050.db2.gz BXVVQDPNAKMENZ-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN Cc1nn(C)c(C)c1CCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809235 454011230 /nfs/dbraw/zinc/01/12/30/454011230.db2.gz SOOUYYNOSCAWQI-CQSZACIVSA-N 0 0 345.399 3.491 10 5 EGBERN CSc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000055747817 454012070 /nfs/dbraw/zinc/01/20/70/454012070.db2.gz JXADAHDCAYIBSW-UHFFFAOYSA-N 0 0 345.424 3.435 10 5 EGBERN CN1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000056047878 454035093 /nfs/dbraw/zinc/03/50/93/454035093.db2.gz ALRXWTWKTWDOCV-NSHDSACASA-N 0 0 331.397 3.010 10 5 EGBERN CCOc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000056228166 454045391 /nfs/dbraw/zinc/04/53/91/454045391.db2.gz DOTGCNCMSNJGQK-UHFFFAOYSA-N 0 0 346.358 3.447 10 5 EGBERN C[C@H](c1ccccc1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000043531447 454067007 /nfs/dbraw/zinc/06/70/07/454067007.db2.gz CZMUWGSVMAAUAN-CYBMUJFWSA-N 0 0 334.397 3.118 10 5 EGBERN C[C@H](CO)[C@H](C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000077227994 454078393 /nfs/dbraw/zinc/07/83/93/454078393.db2.gz PFWGAAXJJDCYQD-OLZOCXBDSA-N 0 0 328.368 3.255 10 5 EGBERN Cc1c(OCC(=O)N(CC(C)C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000077250932 454082037 /nfs/dbraw/zinc/08/20/37/454082037.db2.gz FYGZDNKBXLTMMO-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000069285235 454092104 /nfs/dbraw/zinc/09/21/04/454092104.db2.gz HKSFCKVSMVYLSN-MNOVXSKESA-N 0 0 334.401 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000077351495 454096070 /nfs/dbraw/zinc/09/60/70/454096070.db2.gz AYGXQNCVXYRYQY-UHFFFAOYSA-N 0 0 326.352 3.279 10 5 EGBERN Cc1csc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000069530052 454116871 /nfs/dbraw/zinc/11/68/71/454116871.db2.gz QCXPCXRCQJLKKG-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1sc(C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000045114236 454139596 /nfs/dbraw/zinc/13/95/96/454139596.db2.gz CJTNPBSUNHFNML-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN CC(C)c1nc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000069811255 454147386 /nfs/dbraw/zinc/14/73/86/454147386.db2.gz VNRPPXHGSZAORM-LLVKDONJSA-N 0 0 349.412 3.431 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CSc1nncn1Cc1ccco1 ZINC000069894333 454155028 /nfs/dbraw/zinc/15/50/28/454155028.db2.gz RYQZSRMGXWMFRC-UHFFFAOYSA-N 0 0 334.332 3.259 10 5 EGBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)cccc1[N+](=O)[O-] ZINC000069970984 454161320 /nfs/dbraw/zinc/16/13/20/454161320.db2.gz PRMIEYZNXKLYKI-UHFFFAOYSA-N 0 0 337.238 3.342 10 5 EGBERN Cc1nc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000160041847 455423757 /nfs/dbraw/zinc/42/37/57/455423757.db2.gz RMULIHYHJZAGNN-UHFFFAOYSA-N 0 0 344.396 3.301 10 5 EGBERN O=C(Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000058367369 454193784 /nfs/dbraw/zinc/19/37/84/454193784.db2.gz CGOMCKBSDRKUAV-UHFFFAOYSA-N 0 0 345.330 3.055 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000071050291 454196859 /nfs/dbraw/zinc/19/68/59/454196859.db2.gz MIGXSXGUPAFQSY-UHFFFAOYSA-N 0 0 334.353 3.014 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1noc(-c2ccccc2)n1 ZINC000078252198 454217221 /nfs/dbraw/zinc/21/72/21/454217221.db2.gz FZYHAZBALMABMD-UHFFFAOYSA-N 0 0 326.312 3.266 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000046183621 454227180 /nfs/dbraw/zinc/22/71/80/454227180.db2.gz MGHNYOSFXSTBIS-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN C[C@@H](OCCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000089905757 454230946 /nfs/dbraw/zinc/23/09/46/454230946.db2.gz BNIZLWCURSPPNC-CYBMUJFWSA-N 0 0 341.371 3.217 10 5 EGBERN C[C@@H](O)CCN(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078416955 454249826 /nfs/dbraw/zinc/24/98/26/454249826.db2.gz XRVWQAMZYGWSAZ-SSDOTTSWSA-N 0 0 326.702 3.474 10 5 EGBERN Cc1nc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])no1 ZINC000071911547 454254220 /nfs/dbraw/zinc/25/42/20/454254220.db2.gz PVWDDGNVIYWBBJ-UHFFFAOYSA-N 0 0 338.323 3.129 10 5 EGBERN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1c1ccccc1 ZINC000078460877 454256577 /nfs/dbraw/zinc/25/65/77/454256577.db2.gz ZVOLGHIITIBOGN-IINYFYTJSA-N 0 0 346.774 3.249 10 5 EGBERN CCc1cc(N[C@@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060342781 454278070 /nfs/dbraw/zinc/27/80/70/454278070.db2.gz LSUNUBUIDZYOMG-CVEARBPZSA-N 0 0 342.399 3.330 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000184708307 455433489 /nfs/dbraw/zinc/43/34/89/455433489.db2.gz YJEQGVOZFONBAP-KRWDZBQOSA-N 0 0 325.368 3.293 10 5 EGBERN COCCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000120469529 454306515 /nfs/dbraw/zinc/30/65/15/454306515.db2.gz ZUUIEOMAOOAXPF-UHFFFAOYSA-N 0 0 345.399 3.403 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000090613608 454327555 /nfs/dbraw/zinc/32/75/55/454327555.db2.gz DRVARIGWDMOFTE-TWMKSMIVSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1c(NCc2csc([N+](=O)[O-])c2)cccc1N1C(=O)CCC1=O ZINC000078903834 454334899 /nfs/dbraw/zinc/33/48/99/454334899.db2.gz JNWFACUJFIIDJX-UHFFFAOYSA-N 0 0 345.380 3.230 10 5 EGBERN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NC1CCCCCC1 ZINC000047240914 454345060 /nfs/dbraw/zinc/34/50/60/454345060.db2.gz QDIZUVWZGGGTJP-UHFFFAOYSA-N 0 0 330.388 3.174 10 5 EGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000047254351 454347216 /nfs/dbraw/zinc/34/72/16/454347216.db2.gz IFLMQBRMAGXJQG-AWEZNQCLSA-N 0 0 340.383 3.153 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)NC12CC3CC(CC(C3)C1)C2 ZINC000047355272 454362903 /nfs/dbraw/zinc/36/29/03/454362903.db2.gz BBWHSWAUHONNHO-UHFFFAOYSA-N 0 0 348.374 3.198 10 5 EGBERN COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000079112534 454370343 /nfs/dbraw/zinc/37/03/43/454370343.db2.gz VZKVNJGDDHNYPY-GOSISDBHSA-N 0 0 339.351 3.301 10 5 EGBERN CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000073304032 454419175 /nfs/dbraw/zinc/41/91/75/454419175.db2.gz RLKWJTKUCDRQBI-HNNXBMFYSA-N 0 0 332.743 3.215 10 5 EGBERN Cc1cc(CN(C)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000091429069 454433973 /nfs/dbraw/zinc/43/39/73/454433973.db2.gz WEDALNDDNRHKTF-UHFFFAOYSA-N 0 0 326.150 3.290 10 5 EGBERN C[C@H](c1ccc(F)c(F)c1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000091426580 454434529 /nfs/dbraw/zinc/43/45/29/454434529.db2.gz LWRDNKFIYHYHEV-SECBINFHSA-N 0 0 333.298 3.113 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(F)c(F)c1 ZINC000048244918 454462151 /nfs/dbraw/zinc/46/21/51/454462151.db2.gz YRHVKQYHLQCADW-SSDOTTSWSA-N 0 0 339.273 3.085 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1[N+](=O)[O-] ZINC000133817924 454470353 /nfs/dbraw/zinc/47/03/53/454470353.db2.gz LMMQSVWVPCGRRW-QGZVFWFLSA-N 0 0 344.367 3.272 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000121801234 454479229 /nfs/dbraw/zinc/47/92/29/454479229.db2.gz WDQJCIHWFSSHTH-HNNXBMFYSA-N 0 0 349.774 3.069 10 5 EGBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@H]1c1ccco1 ZINC000101949876 454488292 /nfs/dbraw/zinc/48/82/92/454488292.db2.gz QOLLIYIWBJPRML-CHWSQXEVSA-N 0 0 338.323 3.320 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccccc1C ZINC000048804383 454516708 /nfs/dbraw/zinc/51/67/08/454516708.db2.gz WGKKEMCRKODARA-CYBMUJFWSA-N 0 0 341.367 3.028 10 5 EGBERN Cc1c(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cccc1[N+](=O)[O-] ZINC000074099532 454531528 /nfs/dbraw/zinc/53/15/28/454531528.db2.gz UKRVGANYERHVBW-HNNXBMFYSA-N 0 0 341.367 3.124 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000074235294 454549364 /nfs/dbraw/zinc/54/93/64/454549364.db2.gz XTHUCVQSEUPJMP-WCQYABFASA-N 0 0 349.387 3.227 10 5 EGBERN CCO[C@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000074293378 454557315 /nfs/dbraw/zinc/55/73/15/454557315.db2.gz KYGLCPPYVGNPAR-MRXNPFEDSA-N 0 0 333.388 3.257 10 5 EGBERN COC(=O)c1cc(Nc2ccc3c(c2)nc(C)n3C)ccc1[N+](=O)[O-] ZINC000092658935 454604079 /nfs/dbraw/zinc/60/40/79/454604079.db2.gz JLRBFDQIGLGEIZ-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN COC(=O)c1cc(N2CCS[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092670823 454606028 /nfs/dbraw/zinc/60/60/28/454606028.db2.gz ZESNSJCYHUVKDC-LSDHHAIUSA-N 0 0 336.413 3.246 10 5 EGBERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050480 454606606 /nfs/dbraw/zinc/60/66/06/454606606.db2.gz COKCLKNUFBKODL-GXTWGEPZSA-N 0 0 339.461 3.173 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065873308 454634094 /nfs/dbraw/zinc/63/40/94/454634094.db2.gz NTSUJLGANHUPDG-UHFFFAOYSA-N 0 0 343.383 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000092961211 454659165 /nfs/dbraw/zinc/65/91/65/454659165.db2.gz SABYZECNQJNQTO-CYBMUJFWSA-N 0 0 337.719 3.302 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000152759775 454722639 /nfs/dbraw/zinc/72/26/39/454722639.db2.gz XLZFZNVUWOKFGD-CABZTGNLSA-N 0 0 332.381 3.259 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000124440262 454733475 /nfs/dbraw/zinc/73/34/75/454733475.db2.gz KDZVTJAVNYWRLM-BDJLRTHQSA-N 0 0 345.403 3.008 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000152901824 454739325 /nfs/dbraw/zinc/73/93/25/454739325.db2.gz OJBNQTYBZCYSTJ-INIZCTEOSA-N 0 0 345.355 3.410 10 5 EGBERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000124559724 454747909 /nfs/dbraw/zinc/74/79/09/454747909.db2.gz NTYKERSLEADJQD-CMPLNLGQSA-N 0 0 332.360 3.087 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2SC[C@@H]1C ZINC000176648969 454768615 /nfs/dbraw/zinc/76/86/15/454768615.db2.gz GNKZTJPUQCFBGL-JTQLQIEISA-N 0 0 329.381 3.439 10 5 EGBERN Cc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000153325325 454782744 /nfs/dbraw/zinc/78/27/44/454782744.db2.gz PLGFXNGRMRIQTP-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000125026826 454791475 /nfs/dbraw/zinc/79/14/75/454791475.db2.gz ZPEWINBDKSLFQT-DZGCQCFKSA-N 0 0 346.408 3.214 10 5 EGBERN Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000153546801 454805260 /nfs/dbraw/zinc/80/52/60/454805260.db2.gz CKJVOYDWJNXJSK-UHFFFAOYSA-N 0 0 344.751 3.497 10 5 EGBERN COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000110567989 454848203 /nfs/dbraw/zinc/84/82/03/454848203.db2.gz BLDDKJFPDWKLFH-DIFFPNOSSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1c(OC(=O)c2cnn(CCC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000182237992 455468435 /nfs/dbraw/zinc/46/84/35/455468435.db2.gz BBRHFBIXXHRQSH-UHFFFAOYSA-N 0 0 343.261 3.271 10 5 EGBERN COc1cccc([C@H]2CN(c3c(C)cccc3[N+](=O)[O-])CCO2)c1 ZINC000154129091 454867404 /nfs/dbraw/zinc/86/74/04/454867404.db2.gz DQJUEUNVWKCUHU-QGZVFWFLSA-N 0 0 328.368 3.490 10 5 EGBERN CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000154318056 454884814 /nfs/dbraw/zinc/88/48/14/454884814.db2.gz CFCCTKOORHPWNT-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN COC(=O)[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515604 454904012 /nfs/dbraw/zinc/90/40/12/454904012.db2.gz LHOMZIBCIRZESJ-RDTXWAMCSA-N 0 0 342.395 3.420 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000154692005 454920031 /nfs/dbraw/zinc/92/00/31/454920031.db2.gz VTCUAXFJFPBOPB-CZUORRHYSA-N 0 0 335.404 3.356 10 5 EGBERN CCc1ccc(CC)c(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1 ZINC000127245291 454948285 /nfs/dbraw/zinc/94/82/85/454948285.db2.gz JOYFSDRZVNYTPZ-UHFFFAOYSA-N 0 0 328.368 3.073 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000127248869 454948712 /nfs/dbraw/zinc/94/87/12/454948712.db2.gz ARXBNCPHNMDYPG-INIZCTEOSA-N 0 0 325.368 3.451 10 5 EGBERN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000151305287 454965899 /nfs/dbraw/zinc/96/58/99/454965899.db2.gz IMTHCYSXDHWVCO-UHFFFAOYSA-N 0 0 334.759 3.229 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)nc21 ZINC000155214166 454975471 /nfs/dbraw/zinc/97/54/71/454975471.db2.gz QZHXBFKCMPZHAW-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN Cc1csc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000170790538 454978074 /nfs/dbraw/zinc/97/80/74/454978074.db2.gz KCIDQILLGRZFEO-SNVBAGLBSA-N 0 0 335.385 3.077 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000151466887 454989024 /nfs/dbraw/zinc/98/90/24/454989024.db2.gz GSFHDDFLQLZZFY-QGZVFWFLSA-N 0 0 346.408 3.166 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178932130 454991193 /nfs/dbraw/zinc/99/11/93/454991193.db2.gz AXKBUMFTPMSMIU-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN Nc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000115365154 455012192 /nfs/dbraw/zinc/01/21/92/455012192.db2.gz VGRBOCUYYOGKQJ-GFCCVEGCSA-N 0 0 332.385 3.001 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2ccccc2)C(C)C)n1 ZINC000191614327 455504005 /nfs/dbraw/zinc/50/40/05/455504005.db2.gz JRUGMZFUOHSVSL-INIZCTEOSA-N 0 0 330.388 3.281 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151750443 455026588 /nfs/dbraw/zinc/02/65/88/455026588.db2.gz QZKYSACSEUOVST-SJKOYZFVSA-N 0 0 326.352 3.059 10 5 EGBERN CCCCCN(C(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151939310 455051231 /nfs/dbraw/zinc/05/12/31/455051231.db2.gz HPTOUIZVBREAJE-UHFFFAOYSA-N 0 0 328.434 3.325 10 5 EGBERN C[C@H](C(=O)N1CC2(C1)CC(F)(F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000612556235 460659990 /nfs/dbraw/zinc/65/99/90/460659990.db2.gz UYOIJQRZBLKUBF-VIFPVBQESA-N 0 0 328.290 3.095 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1nccn1CC(C)C ZINC000156002523 455071633 /nfs/dbraw/zinc/07/16/33/455071633.db2.gz NETBSXPFAHCYOV-UHFFFAOYSA-N 0 0 331.376 3.077 10 5 EGBERN CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000156579251 455134617 /nfs/dbraw/zinc/13/46/17/455134617.db2.gz ICAZHBBRFHKSJQ-ZDUSSCGKSA-N 0 0 338.404 3.203 10 5 EGBERN Cc1cnc(OCCCN(CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000180324189 455157950 /nfs/dbraw/zinc/15/79/50/455157950.db2.gz WKYKHKUPOYGNCL-UHFFFAOYSA-N 0 0 335.326 3.340 10 5 EGBERN COc1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263929354 455167019 /nfs/dbraw/zinc/16/70/19/455167019.db2.gz WENYPJCNNSEHTN-UHFFFAOYSA-N 0 0 343.383 3.026 10 5 EGBERN C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 ZINC000180552417 455195587 /nfs/dbraw/zinc/19/55/87/455195587.db2.gz UIZXBGHBAWKGCJ-HZMBPMFUSA-N 0 0 345.380 3.027 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)no1 ZINC000172888848 455204008 /nfs/dbraw/zinc/20/40/08/455204008.db2.gz BMITYMDLMRDIHL-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN CC(C)c1nnc2n1CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]2C ZINC000189514064 455211042 /nfs/dbraw/zinc/21/10/42/455211042.db2.gz LTMSOKXPJLWVBP-LLVKDONJSA-N 0 0 333.367 3.026 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000265539148 455340320 /nfs/dbraw/zinc/34/03/20/455340320.db2.gz DBMHTTIRVABIKV-NSHDSACASA-N 0 0 345.355 3.348 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000173928298 455341971 /nfs/dbraw/zinc/34/19/71/455341971.db2.gz WHVNTDLYRFXUHD-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](c2ccco2)C1 ZINC000184468235 455385002 /nfs/dbraw/zinc/38/50/02/455385002.db2.gz BHFVIBFCNIXQIL-ABAIWWIYSA-N 0 0 329.356 3.383 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000184477719 455387194 /nfs/dbraw/zinc/38/71/94/455387194.db2.gz ZKQAXXFDZHAMNY-OAHLLOKOSA-N 0 0 343.383 3.109 10 5 EGBERN C[C@H](N[C@H](C[S@@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245923101 455400634 /nfs/dbraw/zinc/40/06/34/455400634.db2.gz YEQVWRVNFBZKDC-OLJPZDALSA-N 0 0 332.425 3.365 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184558175 455403213 /nfs/dbraw/zinc/40/32/13/455403213.db2.gz SQUDZAONGSKQLU-CQSZACIVSA-N 0 0 326.418 3.079 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000175729146 455488954 /nfs/dbraw/zinc/48/89/54/455488954.db2.gz GKMUVOPEPKAHPW-CZUORRHYSA-N 0 0 325.368 3.316 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000160691890 455489041 /nfs/dbraw/zinc/48/90/41/455489041.db2.gz LWGYSFDSCVCPOO-VUDGCMKMSA-N 0 0 334.372 3.151 10 5 EGBERN CC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000185084888 455499381 /nfs/dbraw/zinc/49/93/81/455499381.db2.gz IWYITQLMTVDGTA-GFCCVEGCSA-N 0 0 345.384 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)n1 ZINC000191654253 455507738 /nfs/dbraw/zinc/50/77/38/455507738.db2.gz RNXYYXLQFNOSFC-UHFFFAOYSA-N 0 0 348.334 3.134 10 5 EGBERN CC[C@H](Nc1ncnc2c1ncn2CC)c1cccc([N+](=O)[O-])c1 ZINC000267208550 455516572 /nfs/dbraw/zinc/51/65/72/455516572.db2.gz BFKSXJISPCYJPC-ZDUSSCGKSA-N 0 0 326.360 3.318 10 5 EGBERN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124214 455537523 /nfs/dbraw/zinc/53/75/23/455537523.db2.gz IRPFSHWRSZVQDR-QWRGUYRKSA-N 0 0 334.401 3.119 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000182668921 455564674 /nfs/dbraw/zinc/56/46/74/455564674.db2.gz VBAJVRLUBRFVOS-DUMNWFOQSA-N 0 0 347.396 3.453 10 5 EGBERN CC[C@@H](NC(=O)N1CC=C(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000185598992 455583344 /nfs/dbraw/zinc/58/33/44/455583344.db2.gz AOCPBCBJSHZHIN-MRXNPFEDSA-N 0 0 333.388 3.034 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185632648 455587188 /nfs/dbraw/zinc/58/71/88/455587188.db2.gz GYJNPWYTXRHLTD-NSHDSACASA-N 0 0 329.784 3.119 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185632663 455587272 /nfs/dbraw/zinc/58/72/72/455587272.db2.gz GYJNPWYTXRHLTD-LLVKDONJSA-N 0 0 329.784 3.119 10 5 EGBERN CC1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000192372881 455600520 /nfs/dbraw/zinc/60/05/20/455600520.db2.gz SRRZCNVYJQKTJD-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000271369177 455612983 /nfs/dbraw/zinc/61/29/83/455612983.db2.gz ZCIDTIKYCRQTKG-ZETCQYMHSA-N 0 0 332.428 3.294 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000268234074 455627071 /nfs/dbraw/zinc/62/70/71/455627071.db2.gz VGYJRUZEJHFZRC-MRXNPFEDSA-N 0 0 334.397 3.381 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277782575 455664654 /nfs/dbraw/zinc/66/46/54/455664654.db2.gz NWNZXLSWLHHIMZ-MPKXVKKWSA-N 0 0 332.322 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C3CCCC2CCC3)c1 ZINC000612629544 460684367 /nfs/dbraw/zinc/68/43/67/460684367.db2.gz DWPIOAPQUBMPGG-UHFFFAOYSA-N 0 0 338.429 3.307 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCc1nnc[nH]1 ZINC000268443643 455684549 /nfs/dbraw/zinc/68/45/49/455684549.db2.gz URQYKFJMWGCXIG-UHFFFAOYSA-N 0 0 335.673 3.040 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000271618466 455702286 /nfs/dbraw/zinc/70/22/86/455702286.db2.gz DOHBFFYVSQGOPA-KBPBESRZSA-N 0 0 341.415 3.462 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc(C)c1[N+](=O)[O-] ZINC000268515488 455705366 /nfs/dbraw/zinc/70/53/66/455705366.db2.gz YATGAAYINVAKDH-BPLDGKMQSA-N 0 0 334.372 3.059 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)c2cccc(O)c21 ZINC000186254919 455726567 /nfs/dbraw/zinc/72/65/67/455726567.db2.gz OEQNUUPWOLAQLA-JTQLQIEISA-N 0 0 327.340 3.158 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000186354906 455750686 /nfs/dbraw/zinc/75/06/86/455750686.db2.gz SDKLCCBIHDLCOV-CQSZACIVSA-N 0 0 345.359 3.086 10 5 EGBERN Cc1ccc(-c2noc([C@H]3CCCc4n[nH]cc43)n2)cc1[N+](=O)[O-] ZINC000278127068 455764914 /nfs/dbraw/zinc/76/49/14/455764914.db2.gz PKUFEHGPKFMXQU-NSHDSACASA-N 0 0 325.328 3.145 10 5 EGBERN CCC[C@@]1(CO)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000278191667 455783387 /nfs/dbraw/zinc/78/33/87/455783387.db2.gz ROMCPTTWGIDWGM-SZEUEKNRSA-N 0 0 332.400 3.152 10 5 EGBERN CO[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C ZINC000252005474 455802437 /nfs/dbraw/zinc/80/24/37/455802437.db2.gz WYZHLMZHRJDZAQ-TYNCELHUSA-N 0 0 346.387 3.063 10 5 EGBERN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCOC1 ZINC000278283473 455806526 /nfs/dbraw/zinc/80/65/26/455806526.db2.gz ZEKNKCCFNARWLG-STQMWFEESA-N 0 0 336.391 3.248 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3ccc(=O)oc3c2)c1 ZINC000253426448 455845067 /nfs/dbraw/zinc/84/50/67/455845067.db2.gz QABLEHSTJHZTQP-UHFFFAOYSA-N 0 0 341.275 3.280 10 5 EGBERN CC(C)(CO)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295411484 455848853 /nfs/dbraw/zinc/84/88/53/455848853.db2.gz LEJWYCAQNSQTCJ-UHFFFAOYSA-N 0 0 338.407 3.232 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000187504213 455918284 /nfs/dbraw/zinc/91/82/84/455918284.db2.gz XHFRUIDOORVSNX-AAEUAGOBSA-N 0 0 326.418 3.288 10 5 EGBERN CCOC(=O)c1csc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296532822 455966070 /nfs/dbraw/zinc/96/60/70/455966070.db2.gz DIZWKGZCQYOMIM-JTQLQIEISA-N 0 0 335.385 3.079 10 5 EGBERN Cc1ncc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000195496305 455969329 /nfs/dbraw/zinc/96/93/29/455969329.db2.gz TZVCEIQQTRTPSQ-UHFFFAOYSA-N 0 0 330.369 3.113 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2Nc2ccc(N3CCCC3)nc2)s1 ZINC000286087881 455974506 /nfs/dbraw/zinc/97/45/06/455974506.db2.gz KDRVADVTCBXCBM-UHFFFAOYSA-N 0 0 342.384 3.338 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000286093214 455975766 /nfs/dbraw/zinc/97/57/66/455975766.db2.gz UAFZUZKTPCFGBC-MRXNPFEDSA-N 0 0 339.355 3.167 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Sc3nnc(C4CC4)n3C3CC3)nc2c1 ZINC000296590660 455982381 /nfs/dbraw/zinc/98/23/81/455982381.db2.gz SAESFEUJQFVTEY-UHFFFAOYSA-N 0 0 342.384 3.426 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000280659150 456025248 /nfs/dbraw/zinc/02/52/48/456025248.db2.gz KSBBNUSWWVVLKT-OLZOCXBDSA-N 0 0 349.387 3.065 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000188303159 456039743 /nfs/dbraw/zinc/03/97/43/456039743.db2.gz DEBSNDNEPBMGAS-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(COc2ccccc2F)no1 ZINC000188328811 456044352 /nfs/dbraw/zinc/04/43/52/456044352.db2.gz GNTNUWWKVQTYQM-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)c1 ZINC000301317348 456088318 /nfs/dbraw/zinc/08/83/18/456088318.db2.gz OKGPFNUBLCOMHJ-CYBMUJFWSA-N 0 0 328.372 3.079 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc3c(c2)OCO3)c1 ZINC000301370058 456099965 /nfs/dbraw/zinc/09/99/65/456099965.db2.gz UVYIQZLUBGQEHC-UHFFFAOYSA-N 0 0 334.303 3.108 10 5 EGBERN C[C@H]1CC[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301424249 456112095 /nfs/dbraw/zinc/11/20/95/456112095.db2.gz GGLDRQVNMWJXEC-STQMWFEESA-N 0 0 342.399 3.184 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000301465798 456121679 /nfs/dbraw/zinc/12/16/79/456121679.db2.gz LOUIYPZJQPDNJT-GFCCVEGCSA-N 0 0 333.348 3.417 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000301491555 456129610 /nfs/dbraw/zinc/12/96/10/456129610.db2.gz NRUBBAONQYDRSZ-XPAKDJPHSA-N 0 0 348.399 3.134 10 5 EGBERN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577129 456150733 /nfs/dbraw/zinc/15/07/33/456150733.db2.gz ZFBHCXNBAPRMMH-JTQLQIEISA-N 0 0 343.225 3.039 10 5 EGBERN COC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC000601119035 460717017 /nfs/dbraw/zinc/71/70/17/460717017.db2.gz KMDPJPVFMWDCHZ-SNVBAGLBSA-N 0 0 344.293 3.147 10 5 EGBERN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000601119014 460717293 /nfs/dbraw/zinc/71/72/93/460717293.db2.gz KGHYCTWGRGCKIV-ZUZCIYMTSA-N 0 0 335.310 3.234 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000281260015 456181281 /nfs/dbraw/zinc/18/12/81/456181281.db2.gz FHELMGSPDOBZCN-MRXNPFEDSA-N 0 0 343.387 3.396 10 5 EGBERN Cc1cc([C@H]2CN(c3cc(C)c([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000301854282 456233354 /nfs/dbraw/zinc/23/33/54/456233354.db2.gz ALLLNQFAQJSKST-MRXNPFEDSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc([C@@H]2CN(c3ccc([N+](=O)[O-])c(C)n3)CCO2)ccc1F ZINC000301920864 456252075 /nfs/dbraw/zinc/25/20/75/456252075.db2.gz XHHVSTYNMDAPAT-INIZCTEOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000263886906 456256523 /nfs/dbraw/zinc/25/65/23/456256523.db2.gz XDTBICFJLQLBSD-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301957083 456258229 /nfs/dbraw/zinc/25/82/29/456258229.db2.gz LDNAJEDKRPDUMO-ZYHUDNBSSA-N 0 0 345.321 3.460 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297620899 456264407 /nfs/dbraw/zinc/26/44/07/456264407.db2.gz WIRAWPDOFKFDPG-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3c(cccc3C)[nH]2)c1 ZINC000302065371 456279035 /nfs/dbraw/zinc/27/90/35/456279035.db2.gz APNFTXXOIQEXEP-UHFFFAOYSA-N 0 0 340.339 3.178 10 5 EGBERN C[C@H](Nc1ccncc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000340152138 456283207 /nfs/dbraw/zinc/28/32/07/456283207.db2.gz RGEJWOIGXKHKMR-VIFPVBQESA-N 0 0 333.298 3.330 10 5 EGBERN COc1cccc2c1CCN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000302194049 456312516 /nfs/dbraw/zinc/31/25/16/456312516.db2.gz RYNLQLVCRRJAHD-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000342918099 456312706 /nfs/dbraw/zinc/31/27/06/456312706.db2.gz PHPGYVLBCRNMDH-LLVKDONJSA-N 0 0 333.388 3.101 10 5 EGBERN O=C(NCC[C@@H](O)C(F)(F)F)c1cc2ccccc2c2cccnc12 ZINC000337041252 456323391 /nfs/dbraw/zinc/32/33/91/456323391.db2.gz MLORUUNKWXTVRY-OAHLLOKOSA-N 0 0 348.324 3.431 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000302241781 456327841 /nfs/dbraw/zinc/32/78/41/456327841.db2.gz IPLMPSYYFZYYMQ-GOSISDBHSA-N 0 0 344.342 3.378 10 5 EGBERN COc1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1Cl ZINC000347782981 456366046 /nfs/dbraw/zinc/36/60/46/456366046.db2.gz JKXXHSONPCIVJM-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000347820607 456385834 /nfs/dbraw/zinc/38/58/34/456385834.db2.gz FBQRAGWANZECMH-KCJUWKMLSA-N 0 0 332.278 3.016 10 5 EGBERN O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302766421 456394152 /nfs/dbraw/zinc/39/41/52/456394152.db2.gz ZQILXOQQNWEYEF-HNNXBMFYSA-N 0 0 347.321 3.086 10 5 EGBERN C[C@@](CO)(NCc1cnc(C2CCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000601148929 460731946 /nfs/dbraw/zinc/73/19/46/460731946.db2.gz HQNBACUGPCDJMU-KRWDZBQOSA-N 0 0 347.440 3.316 10 5 EGBERN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302815221 456408006 /nfs/dbraw/zinc/40/80/06/456408006.db2.gz KLOUWRAZCSDFKC-OLZOCXBDSA-N 0 0 337.395 3.255 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccccc1N1CCOCC1 ZINC000302815249 456408628 /nfs/dbraw/zinc/40/86/28/456408628.db2.gz KNUVRIJKUZVNRR-UHFFFAOYSA-N 0 0 331.347 3.183 10 5 EGBERN CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000348048462 456444313 /nfs/dbraw/zinc/44/43/13/456444313.db2.gz PVDYDHBXSIBPIN-INIZCTEOSA-N 0 0 332.404 3.065 10 5 EGBERN CCOC(=O)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000303632378 456474355 /nfs/dbraw/zinc/47/43/55/456474355.db2.gz FSGXYEFNUDNJEN-OAHLLOKOSA-N 0 0 343.383 3.132 10 5 EGBERN Cc1c(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000340506237 456498499 /nfs/dbraw/zinc/49/84/99/456498499.db2.gz KJNLKQSKZJYKGU-QGZVFWFLSA-N 0 0 341.346 3.040 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000276538732 456509734 /nfs/dbraw/zinc/50/97/34/456509734.db2.gz FUHSSLRRQPVWDD-CJNGLKHVSA-N 0 0 340.807 3.228 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000353133538 456513666 /nfs/dbraw/zinc/51/36/66/456513666.db2.gz BSSKFQNMFDEFRC-LBPRGKRZSA-N 0 0 348.790 3.094 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCc1ccncc1 ZINC000276554540 456514133 /nfs/dbraw/zinc/51/41/33/456514133.db2.gz IDRDUXNGZIZPRL-UHFFFAOYSA-N 0 0 333.775 3.266 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000276578581 456520903 /nfs/dbraw/zinc/52/09/03/456520903.db2.gz LWHZZYZZRJEXML-UHFFFAOYSA-N 0 0 349.774 3.204 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2nc(C3CC3)no2)c1 ZINC000340607805 456568261 /nfs/dbraw/zinc/56/82/61/456568261.db2.gz KFGCBCCEIZDADG-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1coc(C2CCCC2)n1 ZINC000337855585 456573236 /nfs/dbraw/zinc/57/32/36/456573236.db2.gz ZBIHVMNUUTWUBE-UHFFFAOYSA-N 0 0 345.355 3.179 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000340620550 456576604 /nfs/dbraw/zinc/57/66/04/456576604.db2.gz ISGKWXZVGROOGA-WMLDXEAASA-N 0 0 349.431 3.027 10 5 EGBERN C[C@@H](NC(=O)c1cc2nccnc2cc1F)c1ccccc1[N+](=O)[O-] ZINC000348416309 456676108 /nfs/dbraw/zinc/67/61/08/456676108.db2.gz AKHMNYNXLGVKKF-SNVBAGLBSA-N 0 0 340.314 3.168 10 5 EGBERN C[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000291724931 456734280 /nfs/dbraw/zinc/73/42/80/456734280.db2.gz XFAJXKVQXPUJRF-VZJVUDMVSA-N 0 0 339.342 3.343 10 5 EGBERN CSCCCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353529845 456738885 /nfs/dbraw/zinc/73/88/85/456738885.db2.gz RJEMGWMIKURLDD-HNNXBMFYSA-N 0 0 334.445 3.151 10 5 EGBERN CCc1cnc(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000340987954 456800765 /nfs/dbraw/zinc/80/07/65/456800765.db2.gz CMIFWUXPOSPRIL-UHFFFAOYSA-N 0 0 347.440 3.250 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277388806 456804581 /nfs/dbraw/zinc/80/45/81/456804581.db2.gz DFDQPOZYDIQWRE-VIFPVBQESA-N 0 0 341.289 3.491 10 5 EGBERN CCOCc1nc([C@H](C)N[C@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615121 456804850 /nfs/dbraw/zinc/80/48/50/456804850.db2.gz YAMOPHYVZGVDPQ-OLZOCXBDSA-N 0 0 348.403 3.186 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344253463 456811478 /nfs/dbraw/zinc/81/14/78/456811478.db2.gz BUSZZNRJYKPOPT-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000277449988 456829310 /nfs/dbraw/zinc/82/93/10/456829310.db2.gz OBDXJLQDJOENKU-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000341329816 456850878 /nfs/dbraw/zinc/85/08/78/456850878.db2.gz UMKJCDKPGLGGJC-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC000345203210 456966121 /nfs/dbraw/zinc/96/61/21/456966121.db2.gz BCRWRHSBXRMHJS-LBPRGKRZSA-N 0 0 334.294 3.129 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000339189186 456984203 /nfs/dbraw/zinc/98/42/03/456984203.db2.gz LNMUMOUVMQUWRY-QMMMGPOBSA-N 0 0 332.385 3.132 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000362607536 457003438 /nfs/dbraw/zinc/00/34/38/457003438.db2.gz DVSFTMQQCURQSU-UHFFFAOYSA-N 0 0 345.374 3.137 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356471224 457007009 /nfs/dbraw/zinc/00/70/09/457007009.db2.gz CGZSNAYEFNREBD-BBRMVZONSA-N 0 0 332.381 3.125 10 5 EGBERN Cc1cn2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc2n1 ZINC000346030637 457013882 /nfs/dbraw/zinc/01/38/82/457013882.db2.gz CGYPBXOGZLLNLL-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COC(=O)c1cc(NC(=O)CCc2ccc(C)o2)c(C)c([N+](=O)[O-])c1 ZINC000362649755 457025348 /nfs/dbraw/zinc/02/53/48/457025348.db2.gz PAUTUCDEVAAPPI-UHFFFAOYSA-N 0 0 346.339 3.163 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1nc2cc(F)ccc2[nH]1 ZINC000362647883 457025815 /nfs/dbraw/zinc/02/58/15/457025815.db2.gz FSZBFUFNJOUZHP-UHFFFAOYSA-N 0 0 330.319 3.043 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000346301292 457030661 /nfs/dbraw/zinc/03/06/61/457030661.db2.gz RUUJDPHDBMTFOC-UHFFFAOYSA-N 0 0 331.309 3.252 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](C)c1ccccc1 ZINC000339287434 457043295 /nfs/dbraw/zinc/04/32/95/457043295.db2.gz ZFRRPVTWGQGWQO-AWEZNQCLSA-N 0 0 343.383 3.148 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C3(c4cccc(C)c4)CC3)no2)n1 ZINC000354091826 457056643 /nfs/dbraw/zinc/05/66/43/457056643.db2.gz MWWIKWVJMVFZJB-UHFFFAOYSA-N 0 0 339.355 3.250 10 5 EGBERN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000349808735 457060580 /nfs/dbraw/zinc/06/05/80/457060580.db2.gz SNJHUMZXLHFTGU-JTQLQIEISA-N 0 0 335.360 3.098 10 5 EGBERN CC(=O)c1ccc(NCCc2cnc(C3CC3)nc2)c([N+](=O)[O-])c1 ZINC000339358296 457064585 /nfs/dbraw/zinc/06/45/85/457064585.db2.gz CLPXFIHJJGWQQA-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cc(F)ccc1F ZINC000342026086 457065980 /nfs/dbraw/zinc/06/59/80/457065980.db2.gz AAEXXKYAIGXMEX-UHFFFAOYSA-N 0 0 342.248 3.010 10 5 EGBERN COCCN(Cc1scnc1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000362851498 457124295 /nfs/dbraw/zinc/12/42/95/457124295.db2.gz FQBLFPHLBBUDQC-UHFFFAOYSA-N 0 0 325.365 3.152 10 5 EGBERN Cn1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000339508456 457128476 /nfs/dbraw/zinc/12/84/76/457128476.db2.gz LATXUBPHLWUGGC-UHFFFAOYSA-N 0 0 341.342 3.198 10 5 EGBERN COc1cc(C(=O)N(CC(F)F)CC2CCC2)cc([N+](=O)[O-])c1C ZINC000359908886 457141862 /nfs/dbraw/zinc/14/18/62/457141862.db2.gz IHXNBUQTRLVOGK-UHFFFAOYSA-N 0 0 342.342 3.419 10 5 EGBERN CC(C)(NC(=O)c1cnc2cnccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000350041017 457152849 /nfs/dbraw/zinc/15/28/49/457152849.db2.gz YGQRFXOFNTWUSI-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)c3ccccc3C)no2)n1 ZINC000346759140 457154725 /nfs/dbraw/zinc/15/47/25/457154725.db2.gz YAHAPDTYALQJJD-LLVKDONJSA-N 0 0 327.344 3.321 10 5 EGBERN CCc1cnccc1[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362982307 457183442 /nfs/dbraw/zinc/18/34/42/457183442.db2.gz KAIPDNSRQHHELB-JTQLQIEISA-N 0 0 349.337 3.250 10 5 EGBERN Cc1ccc(CC[C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)o1 ZINC000342265828 457200037 /nfs/dbraw/zinc/20/00/37/457200037.db2.gz AVPLHEXSBLUSSM-SNVBAGLBSA-N 0 0 342.355 3.000 10 5 EGBERN CC[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000360009983 457200554 /nfs/dbraw/zinc/20/05/54/457200554.db2.gz KIQAFMDBGCODCO-LBPRGKRZSA-N 0 0 333.344 3.341 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000356891500 457202082 /nfs/dbraw/zinc/20/20/82/457202082.db2.gz KFMAVARDYSLATF-VIFPVBQESA-N 0 0 331.275 3.085 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000342282773 457210343 /nfs/dbraw/zinc/21/03/43/457210343.db2.gz PRPAEALNDHCCNO-UHFFFAOYSA-N 0 0 341.339 3.234 10 5 EGBERN COc1ncc(CSCCCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000356957693 457242626 /nfs/dbraw/zinc/24/26/26/457242626.db2.gz KXAAHKODLGLWJQ-UHFFFAOYSA-N 0 0 349.412 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)s1 ZINC000363263840 457277391 /nfs/dbraw/zinc/27/73/91/457277391.db2.gz CJNCWAYPRZKZJF-UHFFFAOYSA-N 0 0 330.431 3.001 10 5 EGBERN C[C@@](O)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000360430627 457310532 /nfs/dbraw/zinc/31/05/32/457310532.db2.gz YHYDYMNBDDBRFE-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN C[C@@H](N(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000347368851 457380146 /nfs/dbraw/zinc/38/01/46/457380146.db2.gz KJMVSOBTAFGAIW-CQSZACIVSA-N 0 0 344.415 3.255 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000425027965 457409037 /nfs/dbraw/zinc/40/90/37/457409037.db2.gz FOCVEYMYYLPUBT-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000425027962 457409631 /nfs/dbraw/zinc/40/96/31/457409631.db2.gz FNNVFEGSVAMKSE-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN Cc1cc(=NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000342625240 457411888 /nfs/dbraw/zinc/41/18/88/457411888.db2.gz ZEDQTAMOGMUFBC-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN Cc1cc(=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000342626965 457413377 /nfs/dbraw/zinc/41/33/77/457413377.db2.gz FYIBIYNNTBJANB-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN Cc1cccnc1-c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000355834620 457421943 /nfs/dbraw/zinc/42/19/43/457421943.db2.gz AFCMPZCMUWRUDB-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975192 457423454 /nfs/dbraw/zinc/42/34/54/457423454.db2.gz GYIKEXKZJVIZNE-RVKKMQEKSA-N 0 0 334.416 3.062 10 5 EGBERN Cc1c(Cc2noc(-c3ccc(N(C)C)nc3)n2)cccc1[N+](=O)[O-] ZINC000357328496 457449693 /nfs/dbraw/zinc/44/96/93/457449693.db2.gz XMPNDPBFAVEBQL-UHFFFAOYSA-N 0 0 339.355 3.005 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000356109488 457453646 /nfs/dbraw/zinc/45/36/46/457453646.db2.gz KWUQUTZFRBRAKR-TZMCWYRMSA-N 0 0 332.306 3.293 10 5 EGBERN CNc1c(C(=O)N2CC=C(c3ccccc3C)C2)cccc1[N+](=O)[O-] ZINC000360953098 457461308 /nfs/dbraw/zinc/46/13/08/457461308.db2.gz FHGCPOKCPKYHFD-UHFFFAOYSA-N 0 0 337.379 3.484 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556197 457464624 /nfs/dbraw/zinc/46/46/24/457464624.db2.gz WPDLLEUDNSLKBK-GJZGRUSLSA-N 0 0 340.301 3.197 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000360971243 457479174 /nfs/dbraw/zinc/47/91/74/457479174.db2.gz QYDOQERKCOOMEV-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357378312 457481859 /nfs/dbraw/zinc/48/18/59/457481859.db2.gz HFXHUIRVDXMYJA-CMPLNLGQSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1ccc([C@H]2OCCC[C@H]2CNc2ccncc2[N+](=O)[O-])cc1 ZINC000360989403 457493635 /nfs/dbraw/zinc/49/36/35/457493635.db2.gz CLYFLSIIMPNCBQ-MAUKXSAKSA-N 0 0 327.384 3.300 10 5 EGBERN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n[nH]1 ZINC000357409560 457504646 /nfs/dbraw/zinc/50/46/46/457504646.db2.gz SIEOPUDZBJUQEK-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN CCCN(CCc1ccccn1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342781405 457521467 /nfs/dbraw/zinc/52/14/67/457521467.db2.gz GNOUJERCWFZIRF-UHFFFAOYSA-N 0 0 343.412 3.454 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000347583490 457527403 /nfs/dbraw/zinc/52/74/03/457527403.db2.gz AGTHCUNCESHXQH-LLVKDONJSA-N 0 0 335.282 3.312 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000364212562 457529041 /nfs/dbraw/zinc/52/90/41/457529041.db2.gz HJQHGYJSMBHMEN-OAHLLOKOSA-N 0 0 340.383 3.395 10 5 EGBERN COc1c(C(=O)N[C@H](C)CCc2ccc(C)o2)cccc1[N+](=O)[O-] ZINC000356204815 457530346 /nfs/dbraw/zinc/53/03/46/457530346.db2.gz XIVCTMZRTKQQLE-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407965884 457556202 /nfs/dbraw/zinc/55/62/02/457556202.db2.gz MFXCSRVNMHRGAX-KBPBESRZSA-N 0 0 331.416 3.313 10 5 EGBERN C[C@@H]1C[C@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCO1 ZINC000357488952 457560786 /nfs/dbraw/zinc/56/07/86/457560786.db2.gz SQEZJYUJHMBHHA-GHMZBOCLSA-N 0 0 342.355 3.332 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(O)(c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000364390451 457590399 /nfs/dbraw/zinc/59/03/99/457590399.db2.gz ZCSYGINTQFCECY-UHFFFAOYSA-N 0 0 340.166 3.004 10 5 EGBERN CNc1c(C(=O)Nc2ccc3oc(C)nc3c2)cccc1[N+](=O)[O-] ZINC000361122188 457595304 /nfs/dbraw/zinc/59/53/04/457595304.db2.gz KBTMPSULBCIZDO-UHFFFAOYSA-N 0 0 326.312 3.338 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000425610605 457611999 /nfs/dbraw/zinc/61/19/99/457611999.db2.gz QHNUZNBRYKYJDQ-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000370345297 457625146 /nfs/dbraw/zinc/62/51/46/457625146.db2.gz KCXLVYTYXHZVSP-GOSISDBHSA-N 0 0 342.399 3.074 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000374443120 457628849 /nfs/dbraw/zinc/62/88/49/457628849.db2.gz YLYNAUCZKRLLPS-GOSISDBHSA-N 0 0 343.358 3.196 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(-n2ccnc2)c1 ZINC000370412746 457642147 /nfs/dbraw/zinc/64/21/47/457642147.db2.gz KHVYXEAVCGEDEZ-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN CCOc1cc(Oc2ncncc2Br)ccc1[N+](=O)[O-] ZINC000357669460 457648815 /nfs/dbraw/zinc/64/88/15/457648815.db2.gz CSJPYQWQQFSUIN-UHFFFAOYSA-N 0 0 340.133 3.338 10 5 EGBERN COc1cc(CN2CC(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000361236347 457661267 /nfs/dbraw/zinc/66/12/67/457661267.db2.gz DTJHDGUOKPXONL-UHFFFAOYSA-N 0 0 346.358 3.351 10 5 EGBERN COC(=O)c1cnc(N[C@@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000357704946 457663419 /nfs/dbraw/zinc/66/34/19/457663419.db2.gz GSFMCOJYMBLBSW-JTQLQIEISA-N 0 0 333.344 3.111 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC000357723199 457669357 /nfs/dbraw/zinc/66/93/57/457669357.db2.gz AFMJUWBWFWZCBR-LLVKDONJSA-N 0 0 328.315 3.220 10 5 EGBERN COC1CCC(Cc2noc(Cc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000357726438 457669735 /nfs/dbraw/zinc/66/97/35/457669735.db2.gz FDSSUDNYCIZCKJ-UHFFFAOYSA-N 0 0 331.372 3.316 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1F ZINC000357797430 457693743 /nfs/dbraw/zinc/69/37/43/457693743.db2.gz RBFYXKIGTDGFAN-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1ccnc(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000374931065 457736500 /nfs/dbraw/zinc/73/65/00/457736500.db2.gz SHWHAVABZMCQSU-UHFFFAOYSA-N 0 0 334.326 3.355 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC2CC1(C(F)(F)F)C2 ZINC000411117948 457806421 /nfs/dbraw/zinc/80/64/21/457806421.db2.gz RHQHMROCFXKQLA-UHFFFAOYSA-N 0 0 346.330 3.240 10 5 EGBERN COCCN(Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1C ZINC000426566092 457855271 /nfs/dbraw/zinc/85/52/71/457855271.db2.gz DTMFBIFPFFLTIM-UHFFFAOYSA-N 0 0 335.429 3.317 10 5 EGBERN COc1c(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000458237575 457982397 /nfs/dbraw/zinc/98/23/97/457982397.db2.gz FNJMAYTUWMFSGL-LBPRGKRZSA-N 0 0 346.358 3.446 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1ncc(Br)s1 ZINC000434475324 458002611 /nfs/dbraw/zinc/00/26/11/458002611.db2.gz YBFBHDHMZHFJKC-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(F)(F)C1 ZINC000445138966 458019693 /nfs/dbraw/zinc/01/96/93/458019693.db2.gz QBUHKLRPZKSXSO-UHFFFAOYSA-N 0 0 328.318 3.163 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC3(CC3)CC2)cc1C ZINC000434775436 458049605 /nfs/dbraw/zinc/04/96/05/458049605.db2.gz NAOGRFAPJGLFBB-UHFFFAOYSA-N 0 0 338.429 3.213 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1 ZINC000371778329 458070762 /nfs/dbraw/zinc/07/07/62/458070762.db2.gz PVFNXEDKTPLYKB-ZDUSSCGKSA-N 0 0 343.358 3.254 10 5 EGBERN COc1cc(C(=O)N(C)Cc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000428192733 458094035 /nfs/dbraw/zinc/09/40/35/458094035.db2.gz CMCCNNYMJZCUGX-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000435183952 458101475 /nfs/dbraw/zinc/10/14/75/458101475.db2.gz PJXSTNKSKCNAEK-UHFFFAOYSA-N 0 0 331.376 3.116 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435341560 458117473 /nfs/dbraw/zinc/11/74/73/458117473.db2.gz YXVLYIMEUBHCMX-GXTWGEPZSA-N 0 0 348.305 3.482 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000375913386 458122288 /nfs/dbraw/zinc/12/22/88/458122288.db2.gz IUALFQMCUKGJMK-GFCCVEGCSA-N 0 0 342.399 3.290 10 5 EGBERN COc1cc(C(=O)N[C@H](c2cccnc2)C2CC2)cc([N+](=O)[O-])c1C ZINC000358650404 458128814 /nfs/dbraw/zinc/12/88/14/458128814.db2.gz RQGUNTUZDUVJPA-KRWDZBQOSA-N 0 0 341.367 3.188 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000428413435 458137774 /nfs/dbraw/zinc/13/77/74/458137774.db2.gz LGECOYKOIOIVMI-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000372066885 458181748 /nfs/dbraw/zinc/18/17/48/458181748.db2.gz CFFLCQWPDRRXDD-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000446540385 458196488 /nfs/dbraw/zinc/19/64/88/458196488.db2.gz PMURZXNMTYGRHP-IBGZPJMESA-N 0 0 340.379 3.164 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446899733 458243177 /nfs/dbraw/zinc/24/31/77/458243177.db2.gz UFOFOAXZBLMMKR-WOPDTQHZSA-N 0 0 345.403 3.047 10 5 EGBERN CSc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1[N+](=O)[O-] ZINC000362542340 458256329 /nfs/dbraw/zinc/25/63/29/458256329.db2.gz QPWWAMHNPXZOAJ-UHFFFAOYSA-N 0 0 332.385 3.030 10 5 EGBERN Cc1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000447064278 458259979 /nfs/dbraw/zinc/25/99/79/458259979.db2.gz WAAWCWPIKHRREZ-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459086960 458262258 /nfs/dbraw/zinc/26/22/58/458262258.db2.gz OOTIMFQSNLJVQQ-YOEHRIQHSA-N 0 0 329.400 3.315 10 5 EGBERN CCCc1[nH]nc(-c2nc(Cc3cccc(F)c3)no2)c1[N+](=O)[O-] ZINC000362578674 458280585 /nfs/dbraw/zinc/28/05/85/458280585.db2.gz FLBQBIKXESEZAO-UHFFFAOYSA-N 0 0 331.307 3.050 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](C3CCCCC3)C2)s1 ZINC000376458503 458307277 /nfs/dbraw/zinc/30/72/77/458307277.db2.gz BGQRDBPEPKJVCH-ZDUSSCGKSA-N 0 0 348.428 3.385 10 5 EGBERN C[C@H]1CN(c2cccc3cnccc32)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000447678317 458329033 /nfs/dbraw/zinc/32/90/33/458329033.db2.gz KDXUSTUYMZSEJV-AWEZNQCLSA-N 0 0 349.394 3.253 10 5 EGBERN Cc1cccc(-c2noc(COc3ccc([N+](=O)[O-])c(CO)c3)n2)c1 ZINC000372999383 458370817 /nfs/dbraw/zinc/37/08/17/458370817.db2.gz SEHRUZZVESSGEQ-UHFFFAOYSA-N 0 0 341.323 3.025 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCOCC1 ZINC000373268401 458448015 /nfs/dbraw/zinc/44/80/15/458448015.db2.gz COAKCOWGVGUABT-LLVKDONJSA-N 0 0 346.305 3.047 10 5 EGBERN COc1cc(CN2CC3CC2(C(F)(F)F)C3)c([N+](=O)[O-])cc1F ZINC000459805314 458483785 /nfs/dbraw/zinc/48/37/85/458483785.db2.gz LQADYHHSUYRQNR-UHFFFAOYSA-N 0 0 334.269 3.269 10 5 EGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nn1C(C)C ZINC000459988250 458494833 /nfs/dbraw/zinc/49/48/33/458494833.db2.gz NYHFRCZCGMWXFH-LLVKDONJSA-N 0 0 328.372 3.272 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OC(F)F)c1 ZINC000459985949 458495294 /nfs/dbraw/zinc/49/52/94/458495294.db2.gz JVXJOTMSTKPGDX-SECBINFHSA-N 0 0 349.293 3.183 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000373476146 458502860 /nfs/dbraw/zinc/50/28/60/458502860.db2.gz PHVXPPFPWQSXFL-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000438106559 458534353 /nfs/dbraw/zinc/53/43/53/458534353.db2.gz GQKXGQIYKDXOJY-SECBINFHSA-N 0 0 334.303 3.190 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438144100 458541167 /nfs/dbraw/zinc/54/11/67/458541167.db2.gz WNTYSWAFZPCTND-DINDLPBHSA-N 0 0 344.342 3.417 10 5 EGBERN Cc1c(NC(=O)C[C@H]2CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000431247101 458546679 /nfs/dbraw/zinc/54/66/79/458546679.db2.gz MWNONAYUJZPNHT-SECBINFHSA-N 0 0 343.177 3.031 10 5 EGBERN CN(C[C@H](O)Cc1ccccc1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000431509654 458583204 /nfs/dbraw/zinc/58/32/04/458583204.db2.gz WDGNRLPSACLAOR-OAHLLOKOSA-N 0 0 337.379 3.183 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000470099209 458611632 /nfs/dbraw/zinc/61/16/32/458611632.db2.gz ZGBWFWVULKIQOK-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000438814726 458616238 /nfs/dbraw/zinc/61/62/38/458616238.db2.gz QWQFBRIEYBHZOE-UHFFFAOYSA-N 0 0 329.308 3.033 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000462484900 458625434 /nfs/dbraw/zinc/62/54/34/458625434.db2.gz BAOBDIPRMCXDIW-LSDHHAIUSA-N 0 0 338.429 3.150 10 5 EGBERN COC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000438924699 458629921 /nfs/dbraw/zinc/62/99/21/458629921.db2.gz GMUHQDFUJJYRTP-INIZCTEOSA-N 0 0 346.358 3.089 10 5 EGBERN CCCc1ncc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000456485721 458692387 /nfs/dbraw/zinc/69/23/87/458692387.db2.gz BLONUARHJXBFJT-SNVBAGLBSA-N 0 0 335.335 3.094 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432326449 458716912 /nfs/dbraw/zinc/71/69/12/458716912.db2.gz PHAHBVWRFPOQJK-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN COC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000494695445 458732080 /nfs/dbraw/zinc/73/20/80/458732080.db2.gz WNUXVDNGWKNBRK-NSHDSACASA-N 0 0 343.339 3.264 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000439889037 458762863 /nfs/dbraw/zinc/76/28/63/458762863.db2.gz SEZRYCQQMAPZFR-GFCCVEGCSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1cc(OCC(=O)N(C)c2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000432783832 458786262 /nfs/dbraw/zinc/78/62/62/458786262.db2.gz DAEIQRQHIDEDHM-UHFFFAOYSA-N 0 0 339.351 3.426 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000456821334 458790916 /nfs/dbraw/zinc/79/09/16/458790916.db2.gz PSFCIAFRAVXINR-WDEREUQCSA-N 0 0 326.343 3.453 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000457051732 458848229 /nfs/dbraw/zinc/84/82/29/458848229.db2.gz WMXWNTCVEDYGHT-CYBMUJFWSA-N 0 0 347.415 3.058 10 5 EGBERN O=C1[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000518319729 458855801 /nfs/dbraw/zinc/85/58/01/458855801.db2.gz VVCIEWAEECNCFW-AWEZNQCLSA-N 0 0 331.759 3.466 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000576847361 458933094 /nfs/dbraw/zinc/93/30/94/458933094.db2.gz VKGSKMSBAXZTJA-GFCCVEGCSA-N 0 0 335.404 3.347 10 5 EGBERN O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cn1 ZINC000531633351 458949156 /nfs/dbraw/zinc/94/91/56/458949156.db2.gz JQBVQIGZILOLTR-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(Oc2ncccc2C)CC1 ZINC000566630440 458973690 /nfs/dbraw/zinc/97/36/90/458973690.db2.gz VQEJRWFFBZRGSO-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000467783105 458986712 /nfs/dbraw/zinc/98/67/12/458986712.db2.gz KZHZZHWRCRWBMC-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878552 458992831 /nfs/dbraw/zinc/99/28/31/458992831.db2.gz MRNYVIYDVDAOJV-SNVBAGLBSA-N 0 0 342.380 3.433 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2cc(Cl)cc(F)c21 ZINC000531882630 458993535 /nfs/dbraw/zinc/99/35/35/458993535.db2.gz PTARMXGEVZNOFY-UHFFFAOYSA-N 0 0 335.722 3.375 10 5 EGBERN COc1c(C(=O)N(C)Cc2cc(C)cc(C)c2)cccc1[N+](=O)[O-] ZINC000477113739 459032379 /nfs/dbraw/zinc/03/23/79/459032379.db2.gz NXAYPWJWTRRCDM-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000478001307 459070018 /nfs/dbraw/zinc/07/00/18/459070018.db2.gz VBKMNUYOUYRMPR-HOCLYGCPSA-N 0 0 347.415 3.246 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H]3C[C@@H]32)ccc1Oc1ccc(F)cc1 ZINC000590052970 459073626 /nfs/dbraw/zinc/07/36/26/459073626.db2.gz GIVHNNAWXREBDD-MAUKXSAKSA-N 0 0 344.342 3.499 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1ccccc1O ZINC000557510510 459079164 /nfs/dbraw/zinc/07/91/64/459079164.db2.gz IRVMBZPASMRBCR-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN COc1ccc(Cc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1[N+](=O)[O-] ZINC000594538479 459083061 /nfs/dbraw/zinc/08/30/61/459083061.db2.gz YEKRGEIPORIQMK-YNEHKIRRSA-N 0 0 329.356 3.481 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)c2ccc(C)cc2)n1 ZINC000557588968 459088441 /nfs/dbraw/zinc/08/84/41/459088441.db2.gz SERRIECCORTGIX-LBPRGKRZSA-N 0 0 329.356 3.300 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)CC(F)F ZINC000594586095 459098950 /nfs/dbraw/zinc/09/89/50/459098950.db2.gz MWFAKJLEKNMFHL-JTQLQIEISA-N 0 0 347.337 3.274 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CNc1cccc(C3CC3)n1)OCCO2 ZINC000590190265 459099612 /nfs/dbraw/zinc/09/96/12/459099612.db2.gz IHFLSJABXOGQBY-UHFFFAOYSA-N 0 0 327.340 3.251 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594592087 459100247 /nfs/dbraw/zinc/10/02/47/459100247.db2.gz YTTDXQFAJQEHTB-IRXDYDNUSA-N 0 0 327.384 3.325 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594590938 459100587 /nfs/dbraw/zinc/10/05/87/459100587.db2.gz OVSYDDXTIPUNRF-YPMHNXCESA-N 0 0 334.401 3.359 10 5 EGBERN COc1cccc(CCNc2ncc(Cl)cc2[N+](=O)[O-])c1OC ZINC000532502090 459102027 /nfs/dbraw/zinc/10/20/27/459102027.db2.gz QBICLKZZMNMJEH-UHFFFAOYSA-N 0 0 337.763 3.315 10 5 EGBERN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594597686 459104012 /nfs/dbraw/zinc/10/40/12/459104012.db2.gz FAQRIFABTSJXNE-SECBINFHSA-N 0 0 327.331 3.320 10 5 EGBERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594598116 459104844 /nfs/dbraw/zinc/10/48/44/459104844.db2.gz FNSKQPGGNZHPNZ-INIZCTEOSA-N 0 0 343.383 3.355 10 5 EGBERN CC[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594603802 459107018 /nfs/dbraw/zinc/10/70/18/459107018.db2.gz VVDXWJIMRIWMKV-WMLDXEAASA-N 0 0 347.415 3.247 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](COc2ccccc2)C1 ZINC000577909958 459114684 /nfs/dbraw/zinc/11/46/84/459114684.db2.gz NOHCPYWWDIRFOR-MRXNPFEDSA-N 0 0 328.368 3.187 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000521164002 459123938 /nfs/dbraw/zinc/12/39/38/459123938.db2.gz JBGKYFRYEHZBFC-SJKOYZFVSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000590399131 459123921 /nfs/dbraw/zinc/12/39/21/459123921.db2.gz CECDUIDNMQSVSZ-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000521205136 459129956 /nfs/dbraw/zinc/12/99/56/459129956.db2.gz VZCVDMWHHUIHQN-UHFFFAOYSA-N 0 0 335.404 3.058 10 5 EGBERN COc1cc(CNc2cncc3c2CCCC3)c([N+](=O)[O-])cc1O ZINC000594742139 459148814 /nfs/dbraw/zinc/14/88/14/459148814.db2.gz KJAHCOYLZBPHEG-UHFFFAOYSA-N 0 0 329.356 3.195 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2oc(C(C)C)nc2C)c1 ZINC000590567657 459150241 /nfs/dbraw/zinc/15/02/41/459150241.db2.gz AOEGEZAXYHFGSB-UHFFFAOYSA-N 0 0 333.344 3.413 10 5 EGBERN COC(=O)[C@@H](CNc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000521574224 459162862 /nfs/dbraw/zinc/16/28/62/459162862.db2.gz DTXIFGMVWHJROJ-CYBMUJFWSA-N 0 0 332.331 3.178 10 5 EGBERN COCC1(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000567767440 459163710 /nfs/dbraw/zinc/16/37/10/459163710.db2.gz NDFMXJFLEBDQRJ-UHFFFAOYSA-N 0 0 333.413 3.369 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558691351 459198050 /nfs/dbraw/zinc/19/80/50/459198050.db2.gz LOKYQMGQMSKYAF-LBPRGKRZSA-N 0 0 345.321 3.128 10 5 EGBERN Cc1cc(F)ccc1[C@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590736982 459200400 /nfs/dbraw/zinc/20/04/00/459200400.db2.gz QQBSOEZTUZOXAN-QGZVFWFLSA-N 0 0 345.374 3.458 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(CO)c(F)c1 ZINC000595020709 459218430 /nfs/dbraw/zinc/21/84/30/459218430.db2.gz ZJYGNAHWUJCCEA-LLVKDONJSA-N 0 0 334.347 3.086 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC(C)(C)C ZINC000522973802 459273484 /nfs/dbraw/zinc/27/34/84/459273484.db2.gz MTZGUURCOVEHKD-NSHDSACASA-N 0 0 344.433 3.097 10 5 EGBERN Cc1noc(CN2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC000595368610 459285625 /nfs/dbraw/zinc/28/56/25/459285625.db2.gz LJVVNRIFUSJRPK-UHFFFAOYSA-N 0 0 330.319 3.070 10 5 EGBERN Cc1noc(CN2CC(c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000595402865 459290633 /nfs/dbraw/zinc/29/06/33/459290633.db2.gz FTCWLINFJNMONY-UHFFFAOYSA-N 0 0 330.369 3.100 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000582020315 459293028 /nfs/dbraw/zinc/29/30/28/459293028.db2.gz CSCKMXOCPKAVKB-JTQLQIEISA-N 0 0 349.309 3.474 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)C(C)(C)C ZINC000560264422 459317239 /nfs/dbraw/zinc/31/72/39/459317239.db2.gz TZSWMROAOIXVBC-UHFFFAOYSA-N 0 0 335.404 3.037 10 5 EGBERN C[C@]1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC=CCC1 ZINC000560314115 459321226 /nfs/dbraw/zinc/32/12/26/459321226.db2.gz KTMMEUDOAABDPX-SFHVURJKSA-N 0 0 327.384 3.481 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCN1CCc2sccc2C1 ZINC000582617765 459396130 /nfs/dbraw/zinc/39/61/30/459396130.db2.gz YMTSUMNKWXWICQ-UHFFFAOYSA-N 0 0 333.413 3.135 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000595777867 459436197 /nfs/dbraw/zinc/43/61/97/459436197.db2.gz LDYLEMUXYJBUSA-HNNXBMFYSA-N 0 0 341.358 3.214 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595782928 459438233 /nfs/dbraw/zinc/43/82/33/459438233.db2.gz CJYBQCGVHIFGLR-PRHODGIISA-N 0 0 338.713 3.400 10 5 EGBERN COC(=O)c1cc(N(C)Cc2ccc(OC)cc2)cc(C)c1[N+](=O)[O-] ZINC000485178739 459444639 /nfs/dbraw/zinc/44/46/39/459444639.db2.gz XPQKONUSRWQIBT-UHFFFAOYSA-N 0 0 344.367 3.335 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595808649 459448932 /nfs/dbraw/zinc/44/89/32/459448932.db2.gz OQENAKFYYMLLIL-LLVKDONJSA-N 0 0 326.343 3.407 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000485407386 459453693 /nfs/dbraw/zinc/45/36/93/459453693.db2.gz GVQLOXUOAKVMLU-INIZCTEOSA-N 0 0 343.358 3.411 10 5 EGBERN CC(C)c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458623 459454755 /nfs/dbraw/zinc/45/47/55/459454755.db2.gz DCWCCSGTSBZQAF-QGZVFWFLSA-N 0 0 336.457 3.426 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000485800503 459470929 /nfs/dbraw/zinc/47/09/29/459470929.db2.gz XSFVLMACWALYQW-UHFFFAOYSA-N 0 0 342.330 3.202 10 5 EGBERN CC(C)(C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618849 459474612 /nfs/dbraw/zinc/47/46/12/459474612.db2.gz PVPPHFFEAZJRBV-ZFWWWQNUSA-N 0 0 326.824 3.477 10 5 EGBERN CCOc1cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919678 459487452 /nfs/dbraw/zinc/48/74/52/459487452.db2.gz RCRPPTTWAUUBGF-BDJLRTHQSA-N 0 0 344.358 3.238 10 5 EGBERN COc1cc(CN2CC3CC2(C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595920829 459487763 /nfs/dbraw/zinc/48/77/63/459487763.db2.gz XNUZXFLIQRJGSC-UHFFFAOYSA-N 0 0 342.342 3.232 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@@H](c3ccco3)C1)CCCC2 ZINC000591926762 459489131 /nfs/dbraw/zinc/48/91/31/459489131.db2.gz UMITYUPLOOZVIG-MRXNPFEDSA-N 0 0 329.356 3.040 10 5 EGBERN Cc1c(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596002556 459493490 /nfs/dbraw/zinc/49/34/90/459493490.db2.gz GVKMPITUXPMBBY-UHFFFAOYSA-N 0 0 343.387 3.243 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000596004666 459493566 /nfs/dbraw/zinc/49/35/66/459493566.db2.gz KZCJVSLOLBMFIU-UHFFFAOYSA-N 0 0 348.790 3.196 10 5 EGBERN Cc1noc(CNc2cnn(-c3cccc(C)c3)c2C)c1[N+](=O)[O-] ZINC000596038747 459499644 /nfs/dbraw/zinc/49/96/44/459499644.db2.gz PQJOSUOPDXAZAW-UHFFFAOYSA-N 0 0 327.344 3.306 10 5 EGBERN COC(=O)c1c(Cl)c(Nc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000596057927 459503760 /nfs/dbraw/zinc/50/37/60/459503760.db2.gz YLLXWEOCNNEVQM-UHFFFAOYSA-N 0 0 338.751 3.129 10 5 EGBERN CC1(C2CC2)CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000562244500 459522199 /nfs/dbraw/zinc/52/21/99/459522199.db2.gz IXWFHBJMEICPQP-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN COCCOc1cccc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000542043518 459523547 /nfs/dbraw/zinc/52/35/47/459523547.db2.gz FPQOXNSCXJCMSL-UHFFFAOYSA-N 0 0 346.339 3.150 10 5 EGBERN CCN(CC(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272649 459527522 /nfs/dbraw/zinc/52/75/22/459527522.db2.gz VDHPBRXEVSJPMO-UHFFFAOYSA-N 0 0 332.404 3.306 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000596135936 459532363 /nfs/dbraw/zinc/53/23/63/459532363.db2.gz OEPQAQBDYIDAIN-UHFFFAOYSA-N 0 0 344.795 3.286 10 5 EGBERN CC(C)Cn1ncc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])c1C(F)F ZINC000596178646 459549791 /nfs/dbraw/zinc/54/97/91/459549791.db2.gz KURKTUVXCMAFBD-UHFFFAOYSA-N 0 0 327.291 3.229 10 5 EGBERN COc1cc(NC[C@H](C)N2CCCCC2=O)c(Cl)cc1[N+](=O)[O-] ZINC000596203410 459559886 /nfs/dbraw/zinc/55/98/86/459559886.db2.gz FMFVQZSQWPZDPL-JTQLQIEISA-N 0 0 341.795 3.070 10 5 EGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562460938 459566766 /nfs/dbraw/zinc/56/67/66/459566766.db2.gz HVDVLUOAPDZXMT-HNNXBMFYSA-N 0 0 334.372 3.364 10 5 EGBERN COCC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596241741 459572363 /nfs/dbraw/zinc/57/23/63/459572363.db2.gz XWJZWXRWVWVHQG-UHFFFAOYSA-N 0 0 330.768 3.119 10 5 EGBERN COC(=O)c1c(Cl)c(NCc2oc(C)nc2C)ccc1[N+](=O)[O-] ZINC000596243007 459573308 /nfs/dbraw/zinc/57/33/08/459573308.db2.gz IYRSUYOQUAZVKL-UHFFFAOYSA-N 0 0 339.735 3.252 10 5 EGBERN CCc1cc(N2CC[C@H]2C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596247270 459574181 /nfs/dbraw/zinc/57/41/81/459574181.db2.gz JMCASFUSJMHUGN-ZDUSSCGKSA-N 0 0 334.326 3.458 10 5 EGBERN CCC[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)OC ZINC000596259794 459578288 /nfs/dbraw/zinc/57/82/88/459578288.db2.gz XPFAYFSOVKDIAL-SECBINFHSA-N 0 0 330.768 3.262 10 5 EGBERN COc1cc(N[C@@H]2CCN(CC(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596279145 459582968 /nfs/dbraw/zinc/58/29/68/459582968.db2.gz STPYWBZSHUWVGX-MRVPVSSYSA-N 0 0 335.738 3.008 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H](c3ccccn3)C2)nc2sccn21 ZINC000596305842 459590086 /nfs/dbraw/zinc/59/00/86/459590086.db2.gz NNXQDBFMGXXTTA-NSHDSACASA-N 0 0 329.385 3.083 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000596317431 459594372 /nfs/dbraw/zinc/59/43/72/459594372.db2.gz IJASRSUWMXOKQY-NOZJJQNGSA-N 0 0 334.294 3.077 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000596318610 459594391 /nfs/dbraw/zinc/59/43/91/459594391.db2.gz OZLFBSQLCGZFMN-RNCFNFMXSA-N 0 0 334.294 3.077 10 5 EGBERN O=C([O-])[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000592424608 459598515 /nfs/dbraw/zinc/59/85/15/459598515.db2.gz YNHREXHEBYWEOZ-DRPJVOAASA-N 0 0 332.400 3.149 10 5 EGBERN Cc1ccc([C@@H](C)N2C(=O)N[C@H](CC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000592458380 459604382 /nfs/dbraw/zinc/60/43/82/459604382.db2.gz FKCYMSFUMJJVCM-DGCLKSJQSA-N 0 0 333.388 3.321 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596361485 459608086 /nfs/dbraw/zinc/60/80/86/459608086.db2.gz SVRIVGBUSLBRSC-RVZJWNSFSA-N 0 0 345.399 3.121 10 5 EGBERN COCCC1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000596364236 459608519 /nfs/dbraw/zinc/60/85/19/459608519.db2.gz KDFFDCOHNNLSNX-UHFFFAOYSA-N 0 0 343.383 3.042 10 5 EGBERN Cc1noc([C@@H](C)N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000583881113 459612365 /nfs/dbraw/zinc/61/23/65/459612365.db2.gz SCEYKQJXQPHCEL-MRVPVSSYSA-N 0 0 338.751 3.081 10 5 EGBERN C[C@@H](C(=O)N1CCOCC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000573064527 459618479 /nfs/dbraw/zinc/61/84/79/459618479.db2.gz IUUOUGMOLFAOSV-CQSZACIVSA-N 0 0 332.400 3.260 10 5 EGBERN Cc1cc(N2CC[C@@H](O)C(F)(F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596431570 459634673 /nfs/dbraw/zinc/63/46/73/459634673.db2.gz MKRZSILRTLAPBP-LLVKDONJSA-N 0 0 340.248 3.128 10 5 EGBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573201501 459641558 /nfs/dbraw/zinc/64/15/58/459641558.db2.gz ZZWDJXWYNDSYNX-LVQVYYBASA-N 0 0 329.400 3.282 10 5 EGBERN CC[C@H](NC(=O)NCC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596454128 459641598 /nfs/dbraw/zinc/64/15/98/459641598.db2.gz LVRGQCIGAQPBTI-MNQCNDSGSA-N 0 0 349.431 3.286 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@H]1[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596452530 459641827 /nfs/dbraw/zinc/64/18/27/459641827.db2.gz GFNOXHUIWAODGP-JQFCIGGWSA-N 0 0 349.431 3.238 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596455714 459642892 /nfs/dbraw/zinc/64/28/92/459642892.db2.gz WIXLOSDQAYKSAA-ZIAGYGMSSA-N 0 0 342.399 3.462 10 5 EGBERN C[C@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC000596477963 459650634 /nfs/dbraw/zinc/65/06/34/459650634.db2.gz FQCDWYGDLKJSQR-UGSOOPFHSA-N 0 0 343.358 3.269 10 5 EGBERN C[C@@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000596483944 459653547 /nfs/dbraw/zinc/65/35/47/459653547.db2.gz QZSYSYIDADXHHG-RDTXWAMCSA-N 0 0 325.368 3.130 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596486964 459654002 /nfs/dbraw/zinc/65/40/02/459654002.db2.gz CJOLTHDBHOQTKA-VIFPVBQESA-N 0 0 327.768 3.185 10 5 EGBERN C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592672955 459660884 /nfs/dbraw/zinc/66/08/84/459660884.db2.gz QTPBFERKAKUBCC-ZJUUUORDSA-N 0 0 332.372 3.483 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CC(F)F)cc1OC ZINC000592673852 459662537 /nfs/dbraw/zinc/66/25/37/459662537.db2.gz ZWVIAYLFHWTKDP-VIFPVBQESA-N 0 0 346.330 3.023 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000596513917 459663257 /nfs/dbraw/zinc/66/32/57/459663257.db2.gz AAOMYDPKBZVULL-SNVBAGLBSA-N 0 0 334.401 3.137 10 5 EGBERN CC(C)(C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1)n1cc([N+](=O)[O-])cn1 ZINC000592696141 459668518 /nfs/dbraw/zinc/66/85/18/459668518.db2.gz SYKJCUHUZBPGNM-UKRRQHHQSA-N 0 0 348.447 3.201 10 5 EGBERN CC(=O)c1ccc(NCC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000596543478 459670857 /nfs/dbraw/zinc/67/08/57/459670857.db2.gz KERWDLOBMIUUGO-UHFFFAOYSA-N 0 0 333.388 3.035 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596558554 459676005 /nfs/dbraw/zinc/67/60/05/459676005.db2.gz QQFDXGCCRJJHPZ-LLVKDONJSA-N 0 0 341.289 3.301 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000592736432 459679899 /nfs/dbraw/zinc/67/98/99/459679899.db2.gz RSHUYDMPHAYNMM-FBIMIBRVSA-N 0 0 326.299 3.115 10 5 EGBERN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596574036 459682555 /nfs/dbraw/zinc/68/25/55/459682555.db2.gz MOWGGKHKXTZFNG-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752550 459683981 /nfs/dbraw/zinc/68/39/81/459683981.db2.gz OQTOBLXVLFPMMP-QWHCGFSZSA-N 0 0 330.388 3.182 10 5 EGBERN COc1cc(Cc2noc([C@@H](OC)C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000596596607 459691254 /nfs/dbraw/zinc/69/12/54/459691254.db2.gz RGPUJQXMHFLOMP-INIZCTEOSA-N 0 0 347.371 3.455 10 5 EGBERN CC[C@](C)(NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000596600587 459693050 /nfs/dbraw/zinc/69/30/50/459693050.db2.gz IQZILRYGVJIMIY-SFHVURJKSA-N 0 0 344.415 3.497 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3COC[C@H]3c3ccccc3)n2)o1 ZINC000596600794 459693190 /nfs/dbraw/zinc/69/31/90/459693190.db2.gz JVPHUACHRYXWOZ-RYUDHWBXSA-N 0 0 327.296 3.135 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584293689 459703126 /nfs/dbraw/zinc/70/31/26/459703126.db2.gz PJCKMTWVSAWUJH-WFASDCNBSA-N 0 0 348.399 3.035 10 5 EGBERN COc1c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000592904004 459718000 /nfs/dbraw/zinc/71/80/00/459718000.db2.gz YJCSKCGKOYHSFQ-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1cc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971996 459726665 /nfs/dbraw/zinc/72/66/65/459726665.db2.gz FYPTZXFDCLWQES-CHWSQXEVSA-N 0 0 335.404 3.276 10 5 EGBERN CCc1nc([C@H](C)NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000593024554 459745163 /nfs/dbraw/zinc/74/51/63/459745163.db2.gz MWVUQCAFUBYDPY-JTQLQIEISA-N 0 0 349.412 3.251 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(F)(F)F ZINC000493571162 459749945 /nfs/dbraw/zinc/74/99/45/459749945.db2.gz FEWKNMKXISWIJN-SECBINFHSA-N 0 0 334.297 3.362 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000596823453 459771418 /nfs/dbraw/zinc/77/14/18/459771418.db2.gz POFHUKTVJZFPSC-QWHCGFSZSA-N 0 0 335.404 3.087 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596824923 459772204 /nfs/dbraw/zinc/77/22/04/459772204.db2.gz SBYYFQYWQSCQEL-BXKDBHETSA-N 0 0 347.293 3.087 10 5 EGBERN COc1ccc(NC(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000596833024 459773665 /nfs/dbraw/zinc/77/36/65/459773665.db2.gz UHHQFLAYMUUQFB-CYBMUJFWSA-N 0 0 329.303 3.160 10 5 EGBERN COc1ccc(NC(=O)NC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000596831358 459774066 /nfs/dbraw/zinc/77/40/66/459774066.db2.gz HBCHLNNNUCPGHY-NSHDSACASA-N 0 0 329.303 3.016 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(F)(F)C(C)(C)C ZINC000596843247 459776872 /nfs/dbraw/zinc/77/68/72/459776872.db2.gz IHOVSYSPHDHPLI-UHFFFAOYSA-N 0 0 331.319 3.406 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000596866362 459782705 /nfs/dbraw/zinc/78/27/05/459782705.db2.gz MJAFXPUODOFFLK-SUMWQHHRSA-N 0 0 343.383 3.455 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000593134608 459784162 /nfs/dbraw/zinc/78/41/62/459784162.db2.gz ASDILJNSZCNONX-LLVKDONJSA-N 0 0 327.768 3.281 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000593142715 459786278 /nfs/dbraw/zinc/78/62/78/459786278.db2.gz XODDAOJQNUUCSX-KGLIPLIRSA-N 0 0 346.383 3.455 10 5 EGBERN Cc1cc(Br)cc(C)c1CNc1ncc([N+](=O)[O-])cn1 ZINC000544857945 459788387 /nfs/dbraw/zinc/78/83/87/459788387.db2.gz CXHFZKAUBYNLSH-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596895342 459789654 /nfs/dbraw/zinc/78/96/54/459789654.db2.gz FUQXQMHNSSJVDU-HOCLYGCPSA-N 0 0 338.354 3.469 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237160 459816291 /nfs/dbraw/zinc/81/62/91/459816291.db2.gz KJKVCXZDIAWCLS-UHFFFAOYSA-N 0 0 346.280 3.030 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](O)[C@H](C3CCCC3)C1)CCCC2 ZINC000566160016 459816984 /nfs/dbraw/zinc/81/69/84/459816984.db2.gz VYPLHFWEHYDRBS-MAUKXSAKSA-N 0 0 345.443 3.246 10 5 EGBERN CC[C@H](OCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593249041 459820279 /nfs/dbraw/zinc/82/02/79/459820279.db2.gz FXHCALLDJJXIMW-SFHVURJKSA-N 0 0 342.395 3.421 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000593279879 459828006 /nfs/dbraw/zinc/82/80/06/459828006.db2.gz BOIKSSRSWCAJBK-HNNXBMFYSA-N 0 0 338.791 3.183 10 5 EGBERN CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC(C)(C)C1 ZINC000597089905 459835853 /nfs/dbraw/zinc/83/58/53/459835853.db2.gz GJWZVNFAANFURM-UHFFFAOYSA-N 0 0 326.784 3.483 10 5 EGBERN CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105881 459837221 /nfs/dbraw/zinc/83/72/21/459837221.db2.gz YZXUZZYJWHBQSS-SECBINFHSA-N 0 0 326.784 3.484 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597101737 459837585 /nfs/dbraw/zinc/83/75/85/459837585.db2.gz STFIKJFTBNDCQN-BDAKNGLRSA-N 0 0 326.784 3.483 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000593315404 459839134 /nfs/dbraw/zinc/83/91/34/459839134.db2.gz GBCBYOFZVRWHNJ-UHFFFAOYSA-N 0 0 326.352 3.180 10 5 EGBERN CC[C@](C)(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000598251733 459840491 /nfs/dbraw/zinc/84/04/91/459840491.db2.gz VVUGZVORUJSEJA-SFHVURJKSA-N 0 0 343.383 3.217 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593355200 459860584 /nfs/dbraw/zinc/86/05/84/459860584.db2.gz WVLAZEIKFFUOHT-ZDUSSCGKSA-N 0 0 342.370 3.465 10 5 EGBERN Nc1c(C(=O)NC2CCC3(CC3(F)F)CC2)cc(F)cc1[N+](=O)[O-] ZINC000598318235 459864602 /nfs/dbraw/zinc/86/46/02/459864602.db2.gz YHLKPHLXULSBMH-UHFFFAOYSA-N 0 0 343.305 3.014 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000593369650 459868941 /nfs/dbraw/zinc/86/89/41/459868941.db2.gz FCLQQQKIJRUJAF-APHBMKBZSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593374246 459871353 /nfs/dbraw/zinc/87/13/53/459871353.db2.gz XSKFCRLNKJXGCW-XHDPSFHLSA-N 0 0 339.342 3.405 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2C(C)(C)C2(F)F)c1 ZINC000598340356 459872162 /nfs/dbraw/zinc/87/21/62/459872162.db2.gz JOGFOBDHDGKHSO-ZDUSSCGKSA-N 0 0 342.342 3.080 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598345506 459872659 /nfs/dbraw/zinc/87/26/59/459872659.db2.gz DVZZIGMANZDYKZ-CVEARBPZSA-N 0 0 348.424 3.453 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598348043 459874049 /nfs/dbraw/zinc/87/40/49/459874049.db2.gz IGJFQEJKDTVHTO-OALUTQOASA-N 0 0 342.395 3.012 10 5 EGBERN CC[C@@H](NC(=O)N1CCO[C@@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000602266528 459880169 /nfs/dbraw/zinc/88/01/69/459880169.db2.gz HCPCQIFZVFTDBW-OWCLPIDISA-N 0 0 333.388 3.009 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000598377674 459882274 /nfs/dbraw/zinc/88/22/74/459882274.db2.gz CGLOGWRHBRFJNY-KRWDZBQOSA-N 0 0 339.395 3.254 10 5 EGBERN Cc1ccccc1C(F)(F)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000598395094 459887705 /nfs/dbraw/zinc/88/77/05/459887705.db2.gz WKDZWAZBAWNMIM-UHFFFAOYSA-N 0 0 335.310 3.128 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](C2CCC2)C1 ZINC000598395550 459887718 /nfs/dbraw/zinc/88/77/18/459887718.db2.gz DSOOXCXXPVGDJC-LBPRGKRZSA-N 0 0 338.354 3.454 10 5 EGBERN C[C@H](SCc1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593437605 459888515 /nfs/dbraw/zinc/88/85/15/459888515.db2.gz JQUYWIIKJNOZAI-JTQLQIEISA-N 0 0 345.384 3.373 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000598400450 459889645 /nfs/dbraw/zinc/88/96/45/459889645.db2.gz OHEYGFLCCFLAKE-UHFFFAOYSA-N 0 0 335.747 3.256 10 5 EGBERN O=C(COc1ccc(F)cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000608845851 459890096 /nfs/dbraw/zinc/89/00/96/459890096.db2.gz ILRFNRRLCMFKIO-UHFFFAOYSA-N 0 0 348.374 3.198 10 5 EGBERN COc1cc(OCC(=O)N2CCC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000598398972 459890223 /nfs/dbraw/zinc/89/02/23/459890223.db2.gz HFYDEXKRIMZBET-CQSZACIVSA-N 0 0 348.399 3.021 10 5 EGBERN Cc1noc([C@@H]2CCCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000593458417 459895247 /nfs/dbraw/zinc/89/52/47/459895247.db2.gz OXJCKUWIYNJKIK-GFCCVEGCSA-N 0 0 339.355 3.218 10 5 EGBERN Nc1cc(N2CCC[C@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587971378 459896898 /nfs/dbraw/zinc/89/68/98/459896898.db2.gz HHEMAKFUALDPMO-OAHLLOKOSA-N 0 0 341.411 3.128 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000587978625 459897217 /nfs/dbraw/zinc/89/72/17/459897217.db2.gz BTVPAKHZCVEPBG-GOSISDBHSA-N 0 0 345.399 3.412 10 5 EGBERN Cc1c2ccccc2oc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979314 459897259 /nfs/dbraw/zinc/89/72/59/459897259.db2.gz XYMIBTDWYAFZHB-UHFFFAOYSA-N 0 0 327.340 3.336 10 5 EGBERN Cc1ccc(C[C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587974025 459897311 /nfs/dbraw/zinc/89/73/11/459897311.db2.gz NGYXOEVECHVIGV-CYBMUJFWSA-N 0 0 329.400 3.329 10 5 EGBERN C[C@]1(c2ccccc2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587985476 459898131 /nfs/dbraw/zinc/89/81/31/459898131.db2.gz IFYGCEIWHUXSGN-MAUKXSAKSA-N 0 0 336.351 3.386 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593467599 459898282 /nfs/dbraw/zinc/89/82/82/459898282.db2.gz LNECUBBSBDRGFH-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCCCC2 ZINC000587985499 459898354 /nfs/dbraw/zinc/89/83/54/459898354.db2.gz LHMRCRLKVIJSKB-CVEARBPZSA-N 0 0 349.431 3.209 10 5 EGBERN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000598438671 459898671 /nfs/dbraw/zinc/89/86/71/459898671.db2.gz AKUORXNELMRDRV-LBPRGKRZSA-N 0 0 348.399 3.312 10 5 EGBERN CCCOc1cccc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588003202 459900978 /nfs/dbraw/zinc/90/09/78/459900978.db2.gz XHHCEPIRSYVDON-UHFFFAOYSA-N 0 0 345.399 3.113 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCCC[C@H]2CCCC[C@H]2O)s1 ZINC000588002729 459901097 /nfs/dbraw/zinc/90/10/97/459901097.db2.gz FPNATPWVEGROFI-ZYHUDNBSSA-N 0 0 336.417 3.343 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000593485867 459903703 /nfs/dbraw/zinc/90/37/03/459903703.db2.gz YHJWFHBHNCXJEX-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN CCCOc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000588030101 459904431 /nfs/dbraw/zinc/90/44/31/459904431.db2.gz POMULGCOJCVASZ-UHFFFAOYSA-N 0 0 345.399 3.379 10 5 EGBERN COc1cc(Cl)ccc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000574992865 459904563 /nfs/dbraw/zinc/90/45/63/459904563.db2.gz CYLKVGDQYMBZKV-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN CCOc1ccc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])nc1C ZINC000598467957 459904799 /nfs/dbraw/zinc/90/47/99/459904799.db2.gz AQMJEDHOGDIERE-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N(CCC1CC1)CC1CC1 ZINC000598466141 459904945 /nfs/dbraw/zinc/90/49/45/459904945.db2.gz LHUQJYKHRBLMGX-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN Cc1cc(C)cc(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c1 ZINC000588034101 459905113 /nfs/dbraw/zinc/90/51/13/459905113.db2.gz LBDKJQIZCOSMBD-UHFFFAOYSA-N 0 0 338.367 3.497 10 5 EGBERN Cc1ccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000598496831 459918429 /nfs/dbraw/zinc/91/84/29/459918429.db2.gz YBFPFVUKSHIVME-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC2CC1(C)C2 ZINC000598570114 459942543 /nfs/dbraw/zinc/94/25/43/459942543.db2.gz FKZGIDWHRSSYML-UHFFFAOYSA-N 0 0 339.189 3.290 10 5 EGBERN CC1=CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597406886 459942684 /nfs/dbraw/zinc/94/26/84/459942684.db2.gz OUDNQDKDPUDMFN-UHFFFAOYSA-N 0 0 339.399 3.420 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1F)[C@@H](C)O ZINC000593660034 459943034 /nfs/dbraw/zinc/94/30/34/459943034.db2.gz YXALXXPMWLGFRP-KZULUSFZSA-N 0 0 348.374 3.344 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000598580804 459951045 /nfs/dbraw/zinc/95/10/45/459951045.db2.gz CEWDGSLQKUYXHX-UHFFFAOYSA-N 0 0 336.314 3.150 10 5 EGBERN COc1ccc(CC(=O)NCC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000598581005 459951420 /nfs/dbraw/zinc/95/14/20/459951420.db2.gz FMHSLQUMYUKEFY-UHFFFAOYSA-N 0 0 348.321 3.241 10 5 EGBERN COC(=O)c1ccc(Oc2nc(CC(C)C)ns2)cc1[N+](=O)[O-] ZINC000613890346 459961239 /nfs/dbraw/zinc/96/12/39/459961239.db2.gz SIAWQPFKIUUQCR-UHFFFAOYSA-N 0 0 337.357 3.224 10 5 EGBERN C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCO1 ZINC000597468082 459964080 /nfs/dbraw/zinc/96/40/80/459964080.db2.gz OXIGIKUFMIAEEO-SUMWQHHRSA-N 0 0 332.400 3.291 10 5 EGBERN COC(=O)c1ccnc(N[C@H]2C[C@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000598624898 459967592 /nfs/dbraw/zinc/96/75/92/459967592.db2.gz LJHVZZAAYXLAPE-JOCQHMNTSA-N 0 0 341.367 3.443 10 5 EGBERN CC(C)NC(=O)c1ccc(NCC[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598640122 459973715 /nfs/dbraw/zinc/97/37/15/459973715.db2.gz WMINNAUOBZZBRJ-LLVKDONJSA-N 0 0 327.331 3.190 10 5 EGBERN O=C(CN[C@H](C(F)F)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000598651163 459977545 /nfs/dbraw/zinc/97/75/45/459977545.db2.gz WUBJZTLZUKUILE-HNNXBMFYSA-N 0 0 341.358 3.337 10 5 EGBERN CC(C)(NC(=O)NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598668835 459984829 /nfs/dbraw/zinc/98/48/29/459984829.db2.gz DOZNOGJAYPWBLJ-NSHDSACASA-N 0 0 327.331 3.174 10 5 EGBERN C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000588888044 459996526 /nfs/dbraw/zinc/99/65/26/459996526.db2.gz YFLQUGYTRZASAD-LLVKDONJSA-N 0 0 330.388 3.106 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CC2(F)F)CC1 ZINC000593827366 459997525 /nfs/dbraw/zinc/99/75/25/459997525.db2.gz DTFYBCRYOPLYRY-UHFFFAOYSA-N 0 0 335.310 3.338 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000588937400 460008166 /nfs/dbraw/zinc/00/81/66/460008166.db2.gz MFCVSPPBARXEJW-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN O=C(NCCC1(CO)CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593879849 460008521 /nfs/dbraw/zinc/00/85/21/460008521.db2.gz QAVALVOZBZBMRN-UHFFFAOYSA-N 0 0 334.397 3.092 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CNc2ccccc2C1 ZINC000593914043 460016203 /nfs/dbraw/zinc/01/62/03/460016203.db2.gz FKUUZAGOQHGEGU-OAHLLOKOSA-N 0 0 339.395 3.287 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000598778971 460031309 /nfs/dbraw/zinc/03/13/09/460031309.db2.gz AQIHLBDRSQTMKC-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CC1(F)F ZINC000598785619 460034007 /nfs/dbraw/zinc/03/40/07/460034007.db2.gz XQUHQUAOHMVRKB-IUCAKERBSA-N 0 0 348.733 3.177 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598786070 460034519 /nfs/dbraw/zinc/03/45/19/460034519.db2.gz ZIMHILXSAHFBBP-STQMWFEESA-N 0 0 326.343 3.325 10 5 EGBERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609911921 460039096 /nfs/dbraw/zinc/03/90/96/460039096.db2.gz GNIRJUUNQDUQFF-LLVKDONJSA-N 0 0 335.791 3.290 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728387 460040606 /nfs/dbraw/zinc/04/06/06/460040606.db2.gz UXCNFULCIGIBNR-QGZVFWFLSA-N 0 0 338.363 3.011 10 5 EGBERN Cc1cccc(COCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000598802429 460040797 /nfs/dbraw/zinc/04/07/97/460040797.db2.gz DIOKDXQOJVTDIY-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597730255 460042646 /nfs/dbraw/zinc/04/26/46/460042646.db2.gz ZXVKIXUYUMWVKX-CYBMUJFWSA-N 0 0 326.312 3.041 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000597729446 460042659 /nfs/dbraw/zinc/04/26/59/460042659.db2.gz JBYLNEBZGKVYSG-CQSZACIVSA-N 0 0 344.371 3.082 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000609981389 460043604 /nfs/dbraw/zinc/04/36/04/460043604.db2.gz DWTLWEKYGUWIQS-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000609981390 460044329 /nfs/dbraw/zinc/04/43/29/460044329.db2.gz DWTLWEKYGUWIQS-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn2cccc(F)c2n1 ZINC000589183647 460047521 /nfs/dbraw/zinc/04/75/21/460047521.db2.gz BOEBORHXNQEGTN-UHFFFAOYSA-N 0 0 328.347 3.056 10 5 EGBERN CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000589196670 460050541 /nfs/dbraw/zinc/05/05/41/460050541.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N 0 0 343.427 3.384 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000610006511 460050706 /nfs/dbraw/zinc/05/07/06/460050706.db2.gz IPKTWPGUFNDGES-ZDUSSCGKSA-N 0 0 348.424 3.294 10 5 EGBERN CCOC1(C(=O)Nc2cc(CC)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000598828845 460055488 /nfs/dbraw/zinc/05/54/88/460055488.db2.gz RTQUGQOSVNFKCD-UHFFFAOYSA-N 0 0 343.383 3.025 10 5 EGBERN CC(C)(C)OC(=O)c1ncccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000598860080 460071058 /nfs/dbraw/zinc/07/10/58/460071058.db2.gz XNRXVWAIAZUUPZ-UHFFFAOYSA-N 0 0 349.368 3.259 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594053969 460075822 /nfs/dbraw/zinc/07/58/22/460075822.db2.gz FUBIBPVTJAUURA-CVEARBPZSA-N 0 0 349.387 3.073 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597829562 460076220 /nfs/dbraw/zinc/07/62/20/460076220.db2.gz OTSSZBYUIWLBFE-QWRGUYRKSA-N 0 0 326.299 3.211 10 5 EGBERN Cc1c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)nnn1C(C)C ZINC000598882511 460082935 /nfs/dbraw/zinc/08/29/35/460082935.db2.gz YUDNDXCFVNHNGZ-UHFFFAOYSA-N 0 0 343.387 3.059 10 5 EGBERN C[C@H](C(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594068323 460084588 /nfs/dbraw/zinc/08/45/88/460084588.db2.gz GBQMVEVKZHOEGX-JCURWCKSSA-N 0 0 332.400 3.162 10 5 EGBERN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597866650 460086723 /nfs/dbraw/zinc/08/67/23/460086723.db2.gz YBJGDRALXATACB-RYUDHWBXSA-N 0 0 331.347 3.152 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C(F)F)C1CCCCC1 ZINC000598895038 460087565 /nfs/dbraw/zinc/08/75/65/460087565.db2.gz CLIINCLFKWDKLV-HNNXBMFYSA-N 0 0 342.342 3.304 10 5 EGBERN COc1cccc(C(=O)N2CC3CC2(c2ccccc2)C3)c1[N+](=O)[O-] ZINC000598892651 460088315 /nfs/dbraw/zinc/08/83/15/460088315.db2.gz GIVWFONYBJAOLZ-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594081565 460093217 /nfs/dbraw/zinc/09/32/17/460093217.db2.gz RFCITJLWZLTXJY-CVEARBPZSA-N 0 0 349.387 3.073 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000598949798 460099673 /nfs/dbraw/zinc/09/96/73/460099673.db2.gz DEFXFCYUJCOEOH-OAHLLOKOSA-N 0 0 325.368 3.012 10 5 EGBERN COc1cc(C(=O)N2CCC(c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000597922851 460112273 /nfs/dbraw/zinc/11/22/73/460112273.db2.gz NPKXGKACRRUPEW-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594142692 460124259 /nfs/dbraw/zinc/12/42/59/460124259.db2.gz ZYSPTEJXZFAYGV-SNVBAGLBSA-N 0 0 328.796 3.429 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594142149 460124927 /nfs/dbraw/zinc/12/49/27/460124927.db2.gz XPTOTVPBYNGHOV-VXGBXAGGSA-N 0 0 340.395 3.405 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(O)cccc1F ZINC000610339830 460125559 /nfs/dbraw/zinc/12/55/59/460125559.db2.gz VFAAHSADQIGVRW-UHFFFAOYSA-N 0 0 329.287 3.033 10 5 EGBERN CCC(F)(F)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599023097 460129903 /nfs/dbraw/zinc/12/99/03/460129903.db2.gz BJMIFXNTYCKJIQ-UHFFFAOYSA-N 0 0 335.738 3.135 10 5 EGBERN Cc1cnc(N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000576395418 460132795 /nfs/dbraw/zinc/13/27/95/460132795.db2.gz JGOOOHMOMYGLDJ-QWHCGFSZSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594165438 460135454 /nfs/dbraw/zinc/13/54/54/460135454.db2.gz PRPKJXJMRMSLAU-AAEUAGOBSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594171904 460136408 /nfs/dbraw/zinc/13/64/08/460136408.db2.gz DAPTYRVUAUTWTH-DOTOQJQBSA-N 0 0 345.399 3.013 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594174431 460137053 /nfs/dbraw/zinc/13/70/53/460137053.db2.gz HAFRLFXCXSBULJ-OCCSQVGLSA-N 0 0 338.429 3.151 10 5 EGBERN CSCC1(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000597984412 460137252 /nfs/dbraw/zinc/13/72/52/460137252.db2.gz HUUAIZZBMXULDW-UHFFFAOYSA-N 0 0 333.413 3.339 10 5 EGBERN COc1cc(C(=O)N2CCC(C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000597994804 460139829 /nfs/dbraw/zinc/13/98/29/460139829.db2.gz KZRQXBOBVDOHRK-UHFFFAOYSA-N 0 0 348.399 3.264 10 5 EGBERN COc1ccc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594201809 460148334 /nfs/dbraw/zinc/14/83/34/460148334.db2.gz AOMMAPKMQKRSSD-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC000594202121 460148479 /nfs/dbraw/zinc/14/84/79/460148479.db2.gz CUBZUIOIUXHMHB-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594207373 460152214 /nfs/dbraw/zinc/15/22/14/460152214.db2.gz YPOJZCSYJYWQPB-NSHDSACASA-N 0 0 338.791 3.470 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC(F)(c4ccccc4F)C3)c2c1 ZINC000589874271 460155153 /nfs/dbraw/zinc/15/51/53/460155153.db2.gz VJBPYYBYRQEAHR-UHFFFAOYSA-N 0 0 342.305 3.362 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000598062428 460157251 /nfs/dbraw/zinc/15/72/51/460157251.db2.gz YPZYEENGYQVAPF-UHFFFAOYSA-N 0 0 346.427 3.409 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594226941 460160224 /nfs/dbraw/zinc/16/02/24/460160224.db2.gz PPXBCBVXRFIHPM-CQSZACIVSA-N 0 0 347.415 3.228 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000599110550 460164270 /nfs/dbraw/zinc/16/42/70/460164270.db2.gz AFCCVUNGTPVBHM-LLVKDONJSA-N 0 0 341.289 3.301 10 5 EGBERN CC[C@H](NC(=O)N(C)[C@@H](C)c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000594237076 460164458 /nfs/dbraw/zinc/16/44/58/460164458.db2.gz ZSPHESULLGDBQC-HZMBPMFUSA-N 0 0 347.375 3.140 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CC3CCC(F)(F)CC3)n2)nc1 ZINC000599143527 460173852 /nfs/dbraw/zinc/17/38/52/460173852.db2.gz DFHVZQWJFJQEFJ-UHFFFAOYSA-N 0 0 338.314 3.332 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610530821 460178159 /nfs/dbraw/zinc/17/81/59/460178159.db2.gz KSRGQSXIPVRXQA-HNNXBMFYSA-N 0 0 345.403 3.014 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594284449 460181604 /nfs/dbraw/zinc/18/16/04/460181604.db2.gz YJZADPYJZRTVLM-HNNXBMFYSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(OC2CC2)c1F ZINC000598140301 460186872 /nfs/dbraw/zinc/18/68/72/460186872.db2.gz LJCZVNHRWRQNAZ-UHFFFAOYSA-N 0 0 344.342 3.134 10 5 EGBERN COc1ccc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)cc1F ZINC000599194408 460195901 /nfs/dbraw/zinc/19/59/01/460195901.db2.gz MCIIKXPOODCUAZ-NSHDSACASA-N 0 0 335.310 3.271 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594399424 460206195 /nfs/dbraw/zinc/20/61/95/460206195.db2.gz UFHZJBFKYAPZJW-WBVHZDCISA-N 0 0 343.383 3.154 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000598214724 460207654 /nfs/dbraw/zinc/20/76/54/460207654.db2.gz IQJMULRHDIWQOK-AWEZNQCLSA-N 0 0 328.315 3.157 10 5 EGBERN CSc1cccc(C(=O)NCC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000598218931 460210065 /nfs/dbraw/zinc/21/00/65/460210065.db2.gz JLFNVOFVVQHADQ-CYBMUJFWSA-N 0 0 330.356 3.482 10 5 EGBERN Cc1ccccc1CC1CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610716334 460224064 /nfs/dbraw/zinc/22/40/64/460224064.db2.gz VYYYQYWFAVZDBA-UHFFFAOYSA-N 0 0 328.397 3.291 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610720686 460224742 /nfs/dbraw/zinc/22/47/42/460224742.db2.gz ZVUJTJBGEYQSKY-INIZCTEOSA-N 0 0 349.431 3.032 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000610721697 460225912 /nfs/dbraw/zinc/22/59/12/460225912.db2.gz QPGUHSJUQNZCFU-MRXNPFEDSA-N 0 0 349.431 3.332 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000610761684 460232501 /nfs/dbraw/zinc/23/25/01/460232501.db2.gz ZLRRCEIWQVALBZ-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000599528824 460268593 /nfs/dbraw/zinc/26/85/93/460268593.db2.gz HNGDPIAUENFBON-VUDBWIFFSA-N 0 0 330.431 3.023 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000599550595 460272851 /nfs/dbraw/zinc/27/28/51/460272851.db2.gz GDOWDNHXHRAMRO-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN C[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000603264967 460273981 /nfs/dbraw/zinc/27/39/81/460273981.db2.gz CRIOLIAKLFBIMT-CYBMUJFWSA-N 0 0 325.368 3.441 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnc(C2CC2)nc1 ZINC000615194093 460290715 /nfs/dbraw/zinc/29/07/15/460290715.db2.gz BHIYDEACDRNTHS-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccncc1 ZINC000611223307 460311065 /nfs/dbraw/zinc/31/10/65/460311065.db2.gz VNBBUEUQGXQWSF-LBPRGKRZSA-N 0 0 336.351 3.072 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000599697243 460314358 /nfs/dbraw/zinc/31/43/58/460314358.db2.gz CBSGHRWCONXXOR-INIZCTEOSA-N 0 0 341.367 3.166 10 5 EGBERN CCCN(Cc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000603527519 460317769 /nfs/dbraw/zinc/31/77/69/460317769.db2.gz VMUVIOBGLMYDMU-UHFFFAOYSA-N 0 0 343.383 3.359 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCCO1 ZINC000599831791 460343866 /nfs/dbraw/zinc/34/38/66/460343866.db2.gz AEJFYBKGTIKESQ-BBRMVZONSA-N 0 0 344.371 3.222 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834346 460344779 /nfs/dbraw/zinc/34/47/79/460344779.db2.gz HPQGGCKAIOANSW-SECBINFHSA-N 0 0 336.298 3.310 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599841352 460347088 /nfs/dbraw/zinc/34/70/88/460347088.db2.gz YFFCSZICUPBAGZ-QGZVFWFLSA-N 0 0 346.387 3.206 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000611377818 460348425 /nfs/dbraw/zinc/34/84/25/460348425.db2.gz ZLFNGBHWCKXDGU-JTQLQIEISA-N 0 0 346.314 3.012 10 5 EGBERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000619456089 460361542 /nfs/dbraw/zinc/36/15/42/460361542.db2.gz SOJQJRWQICDVMS-FOLVSLTJSA-N 0 0 348.424 3.004 10 5 EGBERN CN(Cc1cccc2ccccc21)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525512 460387712 /nfs/dbraw/zinc/38/77/12/460387712.db2.gz IHELYPNJPUHTCU-UHFFFAOYSA-N 0 0 337.379 3.459 10 5 EGBERN Cc1ccccc1[C@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525850 460389445 /nfs/dbraw/zinc/38/94/45/460389445.db2.gz XCBFBEHOQNYTMT-QGZVFWFLSA-N 0 0 327.384 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](OC(F)F)C2)cc1OC(F)F ZINC000611583349 460410317 /nfs/dbraw/zinc/41/03/17/460410317.db2.gz BIYNGCWEKLIRSQ-VIFPVBQESA-N 0 0 338.257 3.404 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3ccnc(C)n3)C2)n1 ZINC000611616588 460414928 /nfs/dbraw/zinc/41/49/28/460414928.db2.gz FGGXBMMOZFCPQB-AWEZNQCLSA-N 0 0 327.388 3.089 10 5 EGBERN CCOC(=O)CC[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617319 460415052 /nfs/dbraw/zinc/41/50/52/460415052.db2.gz FQPAITGPSVYMCO-AWEZNQCLSA-N 0 0 335.404 3.166 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000611617480 460415298 /nfs/dbraw/zinc/41/52/98/460415298.db2.gz ZKARTDVMTJZTGA-WFASDCNBSA-N 0 0 349.337 3.197 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000604387388 460418583 /nfs/dbraw/zinc/41/85/83/460418583.db2.gz IKNGUWZAEHMQAY-HUUCEWRRSA-N 0 0 342.399 3.093 10 5 EGBERN COC(=O)c1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1C ZINC000604474935 460430625 /nfs/dbraw/zinc/43/06/25/460430625.db2.gz BPIRESWMACZDAS-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCCc3cc(F)c(F)c(F)c3)c2c1 ZINC000611714463 460437469 /nfs/dbraw/zinc/43/74/69/460437469.db2.gz RVIRNOVQQNFHTA-UHFFFAOYSA-N 0 0 348.284 3.032 10 5 EGBERN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214033 460444905 /nfs/dbraw/zinc/44/49/05/460444905.db2.gz CVYCEDWSPJZIFZ-SFHVURJKSA-N 0 0 340.379 3.176 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272176 460462090 /nfs/dbraw/zinc/46/20/90/460462090.db2.gz RPGXLOKIZTWNMC-OLZOCXBDSA-N 0 0 326.805 3.358 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccn1)C1CCC1 ZINC000600302365 460468359 /nfs/dbraw/zinc/46/83/59/460468359.db2.gz PNSZWCVCGWCYND-SFHVURJKSA-N 0 0 325.368 3.190 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCOCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000611814988 460469635 /nfs/dbraw/zinc/46/96/35/460469635.db2.gz QBSZOMNAKYRLOP-UHFFFAOYSA-N 0 0 332.400 3.145 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600390527 460487803 /nfs/dbraw/zinc/48/78/03/460487803.db2.gz BKPOAFUUQYFDSL-GFCCVEGCSA-N 0 0 341.367 3.325 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000616166651 460489714 /nfs/dbraw/zinc/48/97/14/460489714.db2.gz BQUKEBMONNKUCN-UHFFFAOYSA-N 0 0 341.367 3.437 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000600443945 460497037 /nfs/dbraw/zinc/49/70/37/460497037.db2.gz WUBPCJOLXCELCX-FVFNWAJOSA-N 0 0 334.416 3.092 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600488466 460505587 /nfs/dbraw/zinc/50/55/87/460505587.db2.gz AVWJVSRYIPXHSS-CDMJZVDBSA-N 0 0 340.326 3.362 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000601162363 460735677 /nfs/dbraw/zinc/73/56/77/460735677.db2.gz MGZSVTMXSSCLOI-GFCCVEGCSA-N 0 0 345.378 3.046 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(c2ccccc2F)C1 ZINC000601167084 460738666 /nfs/dbraw/zinc/73/86/66/460738666.db2.gz ZJKFMBZSLUHEPG-UHFFFAOYSA-N 0 0 344.268 3.090 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC1CC(F)(F)C1 ZINC000601172658 460740263 /nfs/dbraw/zinc/74/02/63/460740263.db2.gz FLNZKNZSXGCTLO-UHFFFAOYSA-N 0 0 328.241 3.194 10 5 EGBERN COc1cncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000601211421 460752010 /nfs/dbraw/zinc/75/20/10/460752010.db2.gz ABKJTOBUPHZLHG-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2ccccc2F)CC1 ZINC000601217010 460754392 /nfs/dbraw/zinc/75/43/92/460754392.db2.gz UQLOEDLKZYEREF-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN O=[N+]([O-])c1sccc1NCCC1(O)CCN(c2ccccc2)CC1 ZINC000601223705 460755510 /nfs/dbraw/zinc/75/55/10/460755510.db2.gz LXGUEUSBKRXAJR-UHFFFAOYSA-N 0 0 347.440 3.490 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000617149135 460759444 /nfs/dbraw/zinc/75/94/44/460759444.db2.gz CONSNLJLTAVKFE-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=[N+]([O-])c1cc(N2CCO[C@H](C(F)F)CC2)ccc1C(F)(F)F ZINC000601233347 460760014 /nfs/dbraw/zinc/76/00/14/460760014.db2.gz YXIKDMJSABNBDS-NSHDSACASA-N 0 0 340.248 3.474 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601273747 460772217 /nfs/dbraw/zinc/77/22/17/460772217.db2.gz SVVNFBPAXDZMJK-UHFFFAOYSA-N 0 0 349.387 3.341 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612998828 460798590 /nfs/dbraw/zinc/79/85/90/460798590.db2.gz QITHBEDQHQAJJY-LBPRGKRZSA-N 0 0 345.374 3.326 10 5 EGBERN CCC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601383232 460800778 /nfs/dbraw/zinc/80/07/78/460800778.db2.gz GXHMYEPRLHYJPT-INIZCTEOSA-N 0 0 332.400 3.044 10 5 EGBERN CC(C)C1(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000601382518 460801057 /nfs/dbraw/zinc/80/10/57/460801057.db2.gz AMRVQBFJOAVKKA-UHFFFAOYSA-N 0 0 338.429 3.078 10 5 EGBERN C[C@H](CO)N(CC1CCC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601472581 460818662 /nfs/dbraw/zinc/81/86/62/460818662.db2.gz XPQVXFXCTYKOKO-CQSZACIVSA-N 0 0 346.427 3.026 10 5 EGBERN CC[C@]1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601510885 460823244 /nfs/dbraw/zinc/82/32/44/460823244.db2.gz AEZKWFGKPZHUCB-QGZVFWFLSA-N 0 0 332.400 3.044 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)O1 ZINC000601540024 460827119 /nfs/dbraw/zinc/82/71/19/460827119.db2.gz QXFDRQFAPYOLEX-VYUIOLGVSA-N 0 0 346.305 3.043 10 5 EGBERN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C2CC2)O1 ZINC000601539609 460827681 /nfs/dbraw/zinc/82/76/81/460827681.db2.gz CMSOTLMHLXHTDP-SUMWQHHRSA-N 0 0 344.411 3.042 10 5 EGBERN C[C@@H]1C[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)O1 ZINC000601540027 460827884 /nfs/dbraw/zinc/82/78/84/460827884.db2.gz QXFDRQFAPYOLEX-ZDMBXUJBSA-N 0 0 346.305 3.043 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCO1 ZINC000601602173 460844192 /nfs/dbraw/zinc/84/41/92/460844192.db2.gz PWJMPDNHOIPWDG-KRWDZBQOSA-N 0 0 346.427 3.290 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C(F)F ZINC000601601745 460844283 /nfs/dbraw/zinc/84/42/83/460844283.db2.gz GRSJPGBRMLYDCT-JTQLQIEISA-N 0 0 349.131 3.145 10 5 EGBERN CC1(C)C[C@@H](O)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601621549 460849443 /nfs/dbraw/zinc/84/94/43/460849443.db2.gz SEPZRGONLHDEKP-INIZCTEOSA-N 0 0 346.427 3.026 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601659196 460860390 /nfs/dbraw/zinc/86/03/90/460860390.db2.gz NBJUEVMJLUFAIB-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601660325 460860674 /nfs/dbraw/zinc/86/06/74/460860674.db2.gz YNDOJBCWFQYNGY-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@H](C1CC1)N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000601715744 460881550 /nfs/dbraw/zinc/88/15/50/460881550.db2.gz WKBLOESUEHRJFX-CYBMUJFWSA-N 0 0 328.372 3.013 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccccc2F)CC1 ZINC000601738214 460886014 /nfs/dbraw/zinc/88/60/14/460886014.db2.gz PHZPTYHALNJRLO-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC(Cc2nccs2)CC1 ZINC000601742453 460887463 /nfs/dbraw/zinc/88/74/63/460887463.db2.gz DHSYTGKXDYIMIO-UHFFFAOYSA-N 0 0 337.426 3.208 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000601767465 460893052 /nfs/dbraw/zinc/89/30/52/460893052.db2.gz GFRNICGYUHNHME-UHFFFAOYSA-N 0 0 346.427 3.391 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn2c1CCCC2 ZINC000601826142 460913414 /nfs/dbraw/zinc/91/34/14/460913414.db2.gz UMCMTKFQTRQEHN-AWEZNQCLSA-N 0 0 342.399 3.335 10 5 EGBERN C[C@@H](CC1CCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000601872730 460931343 /nfs/dbraw/zinc/93/13/43/460931343.db2.gz ZPXUSEQNEWAZLL-LBPRGKRZSA-N 0 0 343.383 3.217 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000171352503 534182346 /nfs/dbraw/zinc/18/23/46/534182346.db2.gz ITPSSRHPOIXMLT-ZDUSSCGKSA-N 0 0 346.412 3.028 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159746367 534218238 /nfs/dbraw/zinc/21/82/38/534218238.db2.gz ASGRPJNGJOTOBG-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000187086204 534606484 /nfs/dbraw/zinc/60/64/84/534606484.db2.gz RVOBXOJWRVVMKF-CQSZACIVSA-N 0 0 335.360 3.476 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163129285 534776729 /nfs/dbraw/zinc/77/67/29/534776729.db2.gz PIWSVKGJSFBNGY-HNNXBMFYSA-N 0 0 343.387 3.105 10 5 EGBERN CC(C)Cn1ncnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000180040860 528764148 /nfs/dbraw/zinc/76/41/48/528764148.db2.gz HLYMMLKMRDNSGR-UHFFFAOYSA-N 0 0 344.293 3.440 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000171425347 528942354 /nfs/dbraw/zinc/94/23/54/528942354.db2.gz SHAHXGBQJKMHDJ-BBRMVZONSA-N 0 0 335.404 3.082 10 5 EGBERN COc1cc(C(=O)Nc2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000348152693 536529748 /nfs/dbraw/zinc/52/97/48/536529748.db2.gz RWKGFJSEAZEMML-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000350721641 536887170 /nfs/dbraw/zinc/88/71/70/536887170.db2.gz VZYAOTNOGZSTCD-WDEREUQCSA-N 0 0 346.305 3.198 10 5 EGBERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000363566318 536997102 /nfs/dbraw/zinc/99/71/02/536997102.db2.gz QBHSYJYSDMXRTD-LBPRGKRZSA-N 0 0 348.380 3.227 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592004896 548103710 /nfs/dbraw/zinc/10/37/10/548103710.db2.gz COQOVCCVCXLKIU-CYBMUJFWSA-N 0 0 337.738 3.360 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc2c(c1)OCCCO2 ZINC000726758126 574570077 /nfs/dbraw/zinc/57/00/77/574570077.db2.gz OENCSGLQEQFXIJ-UHFFFAOYSA-N 0 0 329.308 3.284 10 5 EGBERN CCn1c(COC(=O)c2ccc([N+](=O)[O-])cc2)nc2cc(F)ccc21 ZINC000727509925 574672310 /nfs/dbraw/zinc/67/23/10/574672310.db2.gz GYMAYNHTGRIXSD-UHFFFAOYSA-N 0 0 343.314 3.461 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000727552280 574674851 /nfs/dbraw/zinc/67/48/51/574674851.db2.gz UAZQGHYQWYNLCV-UHFFFAOYSA-N 0 0 343.158 3.171 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000728201655 574729123 /nfs/dbraw/zinc/72/91/23/574729123.db2.gz LRNYIILSIGPQRQ-ZDUSSCGKSA-N 0 0 325.368 3.293 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(F)cc1F ZINC000728201644 574729138 /nfs/dbraw/zinc/72/91/38/574729138.db2.gz LGVRSPUIQJJPHR-JTQLQIEISA-N 0 0 347.321 3.263 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000728202174 574729482 /nfs/dbraw/zinc/72/94/82/574729482.db2.gz UKBXODVHFCAPPY-XJKCOSOUSA-N 0 0 331.416 3.041 10 5 EGBERN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000730445717 574988042 /nfs/dbraw/zinc/98/80/42/574988042.db2.gz DLUJRDHYXLQVGU-DLBZAZTESA-N 0 0 326.352 3.370 10 5 EGBERN C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000731528929 575079509 /nfs/dbraw/zinc/07/95/09/575079509.db2.gz RJXHQSDPHWBHFB-QMMMGPOBSA-N 0 0 337.307 3.332 10 5 EGBERN O=C(/C=C/c1ccccc1Cl)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731587255 575083719 /nfs/dbraw/zinc/08/37/19/575083719.db2.gz ZUUPJVYNYHZGRK-BJMVGYQFSA-N 0 0 346.770 3.457 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000732403115 575267145 /nfs/dbraw/zinc/26/71/45/575267145.db2.gz UXIIMWONTPZDLD-SREVYHEPSA-N 0 0 340.763 3.332 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000733189712 575318807 /nfs/dbraw/zinc/31/88/07/575318807.db2.gz VFIBJJQQHNDGQI-LBPRGKRZSA-N 0 0 336.392 3.191 10 5 EGBERN Cc1sc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221756 575618596 /nfs/dbraw/zinc/61/85/96/575618596.db2.gz SHJXUGQGVDSFTO-AWEZNQCLSA-N 0 0 346.408 3.396 10 5 EGBERN COCC[C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000755729217 575674519 /nfs/dbraw/zinc/67/45/19/575674519.db2.gz GOUQLCINZIZATL-XHDPSFHLSA-N 0 0 327.352 3.442 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000741991769 576066884 /nfs/dbraw/zinc/06/68/84/576066884.db2.gz FVVJOTHGTVTSHN-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN Cc1ccc(NCCCNC(=O)CSC(C)(C)C)c([N+](=O)[O-])c1 ZINC000739656336 576493559 /nfs/dbraw/zinc/49/35/59/576493559.db2.gz YBIMAMDLHITSBW-UHFFFAOYSA-N 0 0 339.461 3.353 10 5 EGBERN Cc1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000745334813 576845964 /nfs/dbraw/zinc/84/59/64/576845964.db2.gz ZJJVYHRWDNFTCR-UHFFFAOYSA-N 0 0 337.335 3.132 10 5 EGBERN COc1cccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000010665643 1291117007 /nfs/dbraw/zinc/11/70/07/1291117007.db2.gz NQCNAJGQRHINSJ-UHFFFAOYSA-N 0 0 349.726 3.297 10 5 EGBERN Cc1c(CC(=O)Nc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000122094781 1293401165 /nfs/dbraw/zinc/40/11/65/1293401165.db2.gz JOKKJCYGUXLNOG-UHFFFAOYSA-N 0 0 339.395 3.467 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cccc(O)c1 ZINC000171241075 1294400657 /nfs/dbraw/zinc/40/06/57/1294400657.db2.gz SBLBZDXUCFDJGD-UHFFFAOYSA-N 0 0 334.759 3.155 10 5 EGBERN COC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000171313831 1294402106 /nfs/dbraw/zinc/40/21/06/1294402106.db2.gz TUUDVIUZHHCCIJ-AWEZNQCLSA-N 0 0 334.759 3.366 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000870524583 1295925764 /nfs/dbraw/zinc/92/57/64/1295925764.db2.gz VNDUYMYUGJYFJI-UHFFFAOYSA-N 0 0 338.791 3.055 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2ccsc2C(F)(F)F)n1 ZINC000870576115 1295952906 /nfs/dbraw/zinc/95/29/06/1295952906.db2.gz SUXQOVGJDWLRPY-UHFFFAOYSA-N 0 0 349.290 3.249 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](OC)CC[C@@H]1C ZINC000870720000 1296043033 /nfs/dbraw/zinc/04/30/33/1296043033.db2.gz KZEZXWMKLUPZNE-AAEUAGOBSA-N 0 0 338.429 3.346 10 5 EGBERN CCCOc1cccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870827579 1296106258 /nfs/dbraw/zinc/10/62/58/1296106258.db2.gz AWYPMLZYSIEFRH-UHFFFAOYSA-N 0 0 345.355 3.141 10 5 EGBERN Cc1cc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc(C)c1F ZINC000870828610 1296106527 /nfs/dbraw/zinc/10/65/27/1296106527.db2.gz SZHGLQMLNOLBFJ-UHFFFAOYSA-N 0 0 333.319 3.108 10 5 EGBERN CCC[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(=O)OCC ZINC000216222070 1296119410 /nfs/dbraw/zinc/11/94/10/1296119410.db2.gz VAUMALDDQNXOKK-GFCCVEGCSA-N 0 0 346.177 3.468 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871123268 1296234711 /nfs/dbraw/zinc/23/47/11/1296234711.db2.gz OXXAPJAAIBSYJZ-KGLIPLIRSA-N 0 0 338.791 3.326 10 5 EGBERN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000871165551 1296253618 /nfs/dbraw/zinc/25/36/18/1296253618.db2.gz AJZWTRBTRDIXGE-CQSZACIVSA-N 0 0 340.807 3.255 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871214619 1296279509 /nfs/dbraw/zinc/27/95/09/1296279509.db2.gz PBJWJCAPINBOQQ-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC2CC3(CSC3)C2)cc1[N+](=O)[O-] ZINC000871505429 1296418636 /nfs/dbraw/zinc/41/86/36/1296418636.db2.gz LPVVEHUHNRPCJC-UHFFFAOYSA-N 0 0 326.805 3.182 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000871576923 1296438012 /nfs/dbraw/zinc/43/80/12/1296438012.db2.gz GCAMXVGGANQLLO-CYBMUJFWSA-N 0 0 344.367 3.278 10 5 EGBERN CC(C)O[C@@]1(COc2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000871693506 1296484031 /nfs/dbraw/zinc/48/40/31/1296484031.db2.gz BLBLXIGWOOZGEI-AWEZNQCLSA-N 0 0 333.743 3.350 10 5 EGBERN Cc1ccc(CNc2ccc(S(C)(=O)=O)cc2C)cc1[N+](=O)[O-] ZINC000871826918 1296551206 /nfs/dbraw/zinc/55/12/06/1296551206.db2.gz OWXBIGQXFYGZRV-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC/C=C\c1ccccc1 ZINC000255779184 1296569387 /nfs/dbraw/zinc/56/93/87/1296569387.db2.gz XLMBSQWSWDPVHW-UITAMQMPSA-N 0 0 329.356 3.137 10 5 EGBERN C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047416 1296697379 /nfs/dbraw/zinc/69/73/79/1296697379.db2.gz BNOSHUGGKZZFFS-DOMZBBRYSA-N 0 0 349.406 3.318 10 5 EGBERN C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047418 1296698825 /nfs/dbraw/zinc/69/88/25/1296698825.db2.gz BNOSHUGGKZZFFS-SWLSCSKDSA-N 0 0 349.406 3.318 10 5 EGBERN CCc1nn(C)c(CC)c1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051204 1296701687 /nfs/dbraw/zinc/70/16/87/1296701687.db2.gz ISDIMEBNUYJGGV-LLVKDONJSA-N 0 0 334.395 3.443 10 5 EGBERN COCc1nc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872072458 1296717824 /nfs/dbraw/zinc/71/78/24/1296717824.db2.gz GNDNNMXZVJJMTP-SECBINFHSA-N 0 0 325.365 3.188 10 5 EGBERN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083215 1296724400 /nfs/dbraw/zinc/72/44/00/1296724400.db2.gz IXLAUMMLDKQIPW-IAQYHMDHSA-N 0 0 343.358 3.338 10 5 EGBERN CCn1ncc(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000872140006 1296764359 /nfs/dbraw/zinc/76/43/59/1296764359.db2.gz VINWFJOUDRWRMW-INIZCTEOSA-N 0 0 340.387 3.055 10 5 EGBERN CC(C)(C)[C@H]1C[C@@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000873572510 1297596824 /nfs/dbraw/zinc/59/68/24/1297596824.db2.gz WHNGRVBRMSNFJZ-UONOGXRCSA-N 0 0 325.336 3.484 10 5 EGBERN COc1c(C(=O)O[C@@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873577457 1297602324 /nfs/dbraw/zinc/60/23/24/1297602324.db2.gz YPSTYPYCRFVAQL-RISCZKNCSA-N 0 0 337.372 3.354 10 5 EGBERN CNc1ccc(C(=O)O[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873579512 1297604577 /nfs/dbraw/zinc/60/45/77/1297604577.db2.gz HDNSNJNRXBNWJM-ZDUSSCGKSA-N 0 0 334.372 3.285 10 5 EGBERN Cc1ccnc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(N)c21 ZINC000675028353 1298113150 /nfs/dbraw/zinc/11/31/50/1298113150.db2.gz QERDQYFYSDRFTG-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN CCC[C@@H](Oc1cc(Br)ccc1[N+](=O)[O-])C(=O)OCC ZINC000703803717 1298203383 /nfs/dbraw/zinc/20/33/83/1298203383.db2.gz XCSZHGYWNMJHPM-LLVKDONJSA-N 0 0 346.177 3.468 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000875348201 1298304911 /nfs/dbraw/zinc/30/49/11/1298304911.db2.gz GDGRGXLHERAWLO-FMKPAKJESA-N 0 0 349.456 3.440 10 5 EGBERN Cn1cc(CNc2ccc3nc(C4CC4)sc3c2)c([N+](=O)[O-])n1 ZINC000877160485 1299187427 /nfs/dbraw/zinc/18/74/27/1299187427.db2.gz XRJOKDPAZGTEGE-UHFFFAOYSA-N 0 0 329.385 3.428 10 5 EGBERN CCNc1nc(C)c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000881435448 1301563096 /nfs/dbraw/zinc/56/30/96/1301563096.db2.gz HDLLDSZMKNUJSZ-UHFFFAOYSA-N 0 0 334.401 3.030 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC000881508725 1301587729 /nfs/dbraw/zinc/58/77/29/1301587729.db2.gz GJGGMFNWIRQSMG-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(C)c2ccccc2C1 ZINC000881911758 1301754196 /nfs/dbraw/zinc/75/41/96/1301754196.db2.gz KWEGMNCYUGQKIB-UHFFFAOYSA-N 0 0 325.368 3.254 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](Cc2ccncc2)C1 ZINC000882172980 1301859124 /nfs/dbraw/zinc/85/91/24/1301859124.db2.gz VXXPILFFQHINQA-OAHLLOKOSA-N 0 0 325.368 3.261 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000882437892 1301965365 /nfs/dbraw/zinc/96/53/65/1301965365.db2.gz WIYHMQQIQQUOMX-SFHVURJKSA-N 0 0 348.399 3.356 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCOC1 ZINC000882453595 1301975095 /nfs/dbraw/zinc/97/50/95/1301975095.db2.gz VLEYUVWJVUTTNF-NHYWBVRUSA-N 0 0 331.372 3.011 10 5 EGBERN CC(=O)c1c(N(C)C[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000882484170 1301990360 /nfs/dbraw/zinc/99/03/60/1301990360.db2.gz UZTKCOWJDOXXFH-SFHVURJKSA-N 0 0 328.368 3.141 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000882552596 1302016619 /nfs/dbraw/zinc/01/66/19/1302016619.db2.gz GZEJMESBMQBWAQ-DVFVSVACSA-N 0 0 330.384 3.216 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000883553124 1302496447 /nfs/dbraw/zinc/49/64/47/1302496447.db2.gz LHWHYBUKEJYYLZ-VMGRFDJRSA-N 0 0 333.388 3.057 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000884699720 1302956286 /nfs/dbraw/zinc/95/62/86/1302956286.db2.gz HDUAZGQVTIZCQH-MTKHPJAWSA-N 0 0 348.399 3.182 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@]23C[C@H]2CCC3)cc1SC ZINC000886002583 1303315196 /nfs/dbraw/zinc/31/51/96/1303315196.db2.gz GFPQEXJEDSNLDV-HWPZZCPQSA-N 0 0 336.413 3.245 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000888277894 1304096278 /nfs/dbraw/zinc/09/62/78/1304096278.db2.gz HUSUTZOVQMARCJ-JTQLQIEISA-N 0 0 341.795 3.181 10 5 EGBERN Cc1cnc(F)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000889103595 1304386314 /nfs/dbraw/zinc/38/63/14/1304386314.db2.gz KCCFQOHPZCBRPL-UHFFFAOYSA-N 0 0 331.347 3.190 10 5 EGBERN COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000889371647 1304460918 /nfs/dbraw/zinc/46/09/18/1304460918.db2.gz VKMSCLGBLXGLNM-CYBMUJFWSA-N 0 0 343.383 3.117 10 5 EGBERN CCO[C@]12CCC[C@@]1(NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC000889808416 1304594788 /nfs/dbraw/zinc/59/47/88/1304594788.db2.gz ZFTYEIHDWLEOCU-MSOLQXFVSA-N 0 0 348.399 3.017 10 5 EGBERN CSc1cccc(C(=O)NC[C@]23C[C@H]2COC32CCC2)c1[N+](=O)[O-] ZINC000890172225 1304692002 /nfs/dbraw/zinc/69/20/02/1304692002.db2.gz LOGLMHUDDCKREY-MEDUHNTESA-N 0 0 348.424 3.006 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC=CC[C@H]2C)cc1SC ZINC000890769379 1304876117 /nfs/dbraw/zinc/87/61/17/1304876117.db2.gz UFYMXWMXDMKKNX-ZYHUDNBSSA-N 0 0 336.413 3.410 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC2CCC2)c1C ZINC000893155802 1305736078 /nfs/dbraw/zinc/73/60/78/1305736078.db2.gz SQRVLYXEKQFJKZ-UHFFFAOYSA-N 0 0 328.372 3.461 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CC2(C)C)cc1OC ZINC000893379005 1305858737 /nfs/dbraw/zinc/85/87/37/1305858737.db2.gz OUYZOVORLSRGGN-KRWDZBQOSA-N 0 0 336.388 3.168 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCn2c(C)cnc21 ZINC000893525864 1305950529 /nfs/dbraw/zinc/95/05/29/1305950529.db2.gz ZWHHWSNHOGZHEB-HOCLYGCPSA-N 0 0 343.383 3.357 10 5 EGBERN Cc1c(CC(=O)O[C@@H]2CO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000893649540 1306007292 /nfs/dbraw/zinc/00/72/92/1306007292.db2.gz LKWHAUOELFEMEI-SJLPKXTDSA-N 0 0 327.336 3.129 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(c2ncccn2)CCC1 ZINC000893656906 1306011537 /nfs/dbraw/zinc/01/15/37/1306011537.db2.gz ACBAGQKURASEDT-UHFFFAOYSA-N 0 0 346.774 3.156 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCOC1 ZINC000893857387 1306101068 /nfs/dbraw/zinc/10/10/68/1306101068.db2.gz NVSUDJMAXYQOIA-WFASDCNBSA-N 0 0 343.383 3.078 10 5 EGBERN C/C(=C\C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000894270021 1306313959 /nfs/dbraw/zinc/31/39/59/1306313959.db2.gz UZGNPUCNMNPNRK-DHZHZOJOSA-N 0 0 327.340 3.180 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386655 1306371015 /nfs/dbraw/zinc/37/10/15/1306371015.db2.gz KSEYTODGWHGPIL-HZMBPMFUSA-N 0 0 328.290 3.399 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H]2CC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000894402742 1308856252 /nfs/dbraw/zinc/85/62/52/1308856252.db2.gz JQNMUADAVQPBAG-CQSZACIVSA-N 0 0 348.399 3.071 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000894502261 1308926324 /nfs/dbraw/zinc/92/63/24/1308926324.db2.gz AFKNKPNZFGTNCH-GFCCVEGCSA-N 0 0 338.429 3.008 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000894504922 1308927263 /nfs/dbraw/zinc/92/72/63/1308927263.db2.gz YUSBOYALHHGMHX-GFCCVEGCSA-N 0 0 343.383 3.078 10 5 EGBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCOC2(CCC2)C1 ZINC000894667395 1309012961 /nfs/dbraw/zinc/01/29/61/1309012961.db2.gz ZFPRRSGYFOQPIW-MRXNPFEDSA-N 0 0 336.363 3.203 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCOC2(CCC2)C1 ZINC000894667394 1309013336 /nfs/dbraw/zinc/01/33/36/1309013336.db2.gz ZFPRRSGYFOQPIW-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000894702460 1309028278 /nfs/dbraw/zinc/02/82/78/1309028278.db2.gz UMDVWVSRTKYDCI-NHYWBVRUSA-N 0 0 338.791 3.198 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894712426 1309032432 /nfs/dbraw/zinc/03/24/32/1309032432.db2.gz MPWYMQVUSMWHDG-HUUCEWRRSA-N 0 0 332.400 3.161 10 5 EGBERN CCn1cc(Cl)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000894898420 1309119555 /nfs/dbraw/zinc/11/95/55/1309119555.db2.gz GBUZDXMGDPKQFL-QMMMGPOBSA-N 0 0 340.742 3.346 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000895357678 1309297766 /nfs/dbraw/zinc/29/77/66/1309297766.db2.gz MBSDSVJDYVOEOL-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000895446019 1309340950 /nfs/dbraw/zinc/34/09/50/1309340950.db2.gz NXBHLRCLJYOHBQ-ZWNOBZJWSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896079544 1309690029 /nfs/dbraw/zinc/69/00/29/1309690029.db2.gz YGLICTVSJOLESN-AXFHLTTASA-N 0 0 339.189 3.360 10 5 EGBERN CC(=O)c1c(NCC[C@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000896105671 1309702194 /nfs/dbraw/zinc/70/21/94/1309702194.db2.gz PPLUCQOAUIGYHJ-LBPRGKRZSA-N 0 0 333.310 3.092 10 5 EGBERN COCC1(c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)CC1 ZINC000897054381 1310158132 /nfs/dbraw/zinc/15/81/32/1310158132.db2.gz JUMXFSNETHCIDP-UHFFFAOYSA-N 0 0 329.356 3.126 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000897563863 1310382080 /nfs/dbraw/zinc/38/20/80/1310382080.db2.gz YKFKYIKWVQUHDT-CABCVRRESA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000897563864 1310383064 /nfs/dbraw/zinc/38/30/64/1310383064.db2.gz YKFKYIKWVQUHDT-GJZGRUSLSA-N 0 0 332.400 3.440 10 5 EGBERN CC(C)(CCC(=O)NCc1ccc(Oc2ccccc2)cn1)[N+](=O)[O-] ZINC000898523734 1310777318 /nfs/dbraw/zinc/77/73/18/1310777318.db2.gz CUJADOBAJHGPTM-UHFFFAOYSA-N 0 0 343.383 3.326 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CO)cc1 ZINC000898592668 1310799576 /nfs/dbraw/zinc/79/95/76/1310799576.db2.gz ICSZDOYXUWOQSE-HNNXBMFYSA-N 0 0 328.368 3.295 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)c1C ZINC000899019289 1310913202 /nfs/dbraw/zinc/91/32/02/1310913202.db2.gz HNICTLLYLQHNGP-QFYYESIMSA-N 0 0 342.342 3.096 10 5 EGBERN COc1cccc(CN(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000929298655 1328560008 /nfs/dbraw/zinc/56/00/08/1328560008.db2.gz XFAWEGLXRINAAF-UHFFFAOYSA-N 0 0 346.358 3.334 10 5 EGBERN Cc1ccccc1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929377789 1328584161 /nfs/dbraw/zinc/58/41/61/1328584161.db2.gz WCUNUUMKKRQZBL-UHFFFAOYSA-N 0 0 330.359 3.334 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2C1 ZINC000929374935 1328582403 /nfs/dbraw/zinc/58/24/03/1328582403.db2.gz ADGIYJLEGWGRAQ-KRWDZBQOSA-N 0 0 342.370 3.340 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc(F)ccc21 ZINC000857896003 1328617252 /nfs/dbraw/zinc/61/72/52/1328617252.db2.gz HRTDFYVVEPYWGK-CYBMUJFWSA-N 0 0 343.358 3.287 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000857970996 1328644020 /nfs/dbraw/zinc/64/40/20/1328644020.db2.gz UZHQPMKIENSQCE-KVNDZABWSA-N 0 0 337.379 3.239 10 5 EGBERN Cc1ccc(O[C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)nc1 ZINC000858009942 1328655281 /nfs/dbraw/zinc/65/52/81/1328655281.db2.gz WPRUWBDOKQVUDT-ZDUSSCGKSA-N 0 0 331.347 3.403 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010061 1328656467 /nfs/dbraw/zinc/65/64/67/1328656467.db2.gz ZGOXLQKHSBRPPG-INIZCTEOSA-N 0 0 340.383 3.228 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000899465234 1317047936 /nfs/dbraw/zinc/04/79/36/1317047936.db2.gz CAUHHSYMFJKLRD-LBPRGKRZSA-N 0 0 343.383 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ncccn3)C2)c1C ZINC000899519125 1317069014 /nfs/dbraw/zinc/06/90/14/1317069014.db2.gz MZKPNWVWGNUFCU-AWEZNQCLSA-N 0 0 340.383 3.021 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(c2ccccn2)C1 ZINC000913378315 1319018395 /nfs/dbraw/zinc/01/83/95/1319018395.db2.gz VOUMHEBPVKTZDY-UHFFFAOYSA-N 0 0 325.368 3.155 10 5 EGBERN CCOC1CC(CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913384735 1319019969 /nfs/dbraw/zinc/01/99/69/1319019969.db2.gz DFMGXPHREDVHGY-UHFFFAOYSA-N 0 0 344.770 3.209 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000914364180 1319308850 /nfs/dbraw/zinc/30/88/50/1319308850.db2.gz QYDMPWKLBIFJIH-LBPRGKRZSA-N 0 0 340.445 3.235 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000930315016 1328831799 /nfs/dbraw/zinc/83/17/99/1328831799.db2.gz JHXOCBLLRPHJQL-WBMJQRKESA-N 0 0 335.429 3.428 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000858692830 1328832573 /nfs/dbraw/zinc/83/25/73/1328832573.db2.gz WXLIDWUINVLJLJ-SNVBAGLBSA-N 0 0 341.161 3.031 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000858736663 1328846741 /nfs/dbraw/zinc/84/67/41/1328846741.db2.gz QEEDOJQYHAGXDI-SECBINFHSA-N 0 0 345.277 3.072 10 5 EGBERN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)CN1C(=O)OC(C)(C)C ZINC000858780291 1328859207 /nfs/dbraw/zinc/85/92/07/1328859207.db2.gz MHRVJMRBLXFJJL-WCQYABFASA-N 0 0 336.392 3.190 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCCOC2CCCC2)c1 ZINC000918518672 1319965694 /nfs/dbraw/zinc/96/56/94/1319965694.db2.gz QGUAKXACIFBHHR-UHFFFAOYSA-N 0 0 325.386 3.433 10 5 EGBERN Cc1sc(C(=O)OCc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000918526447 1319969091 /nfs/dbraw/zinc/96/90/91/1319969091.db2.gz OAUSJOXIZAVRHM-UHFFFAOYSA-N 0 0 331.353 3.208 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000858864367 1328879866 /nfs/dbraw/zinc/87/98/66/1328879866.db2.gz XNWKXJGOPQPJLG-SCOBNMCVSA-N 0 0 338.429 3.181 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1cccc(F)c1)C1CCC1 ZINC000930620742 1328917834 /nfs/dbraw/zinc/91/78/34/1328917834.db2.gz OPMGBYFVPGAIBR-UHFFFAOYSA-N 0 0 344.346 3.137 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000919033078 1322022546 /nfs/dbraw/zinc/02/25/46/1322022546.db2.gz SULUZLCUBZYXQR-KGLIPLIRSA-N 0 0 348.399 3.024 10 5 EGBERN C[C@H](OC(=O)c1cc(-c2ccoc2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000919327412 1322057144 /nfs/dbraw/zinc/05/71/44/1322057144.db2.gz SRHQJLZXAFFZLD-JTQLQIEISA-N 0 0 327.296 3.496 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CC(F)(F)C(F)F)n2)c1 ZINC000920411491 1322174462 /nfs/dbraw/zinc/17/44/62/1322174462.db2.gz IEBFFFATCGGCNE-UHFFFAOYSA-N 0 0 338.648 3.407 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3CC[C@@H](C4CC4)O3)n2)c1 ZINC000920417993 1322175569 /nfs/dbraw/zinc/17/55/69/1322175569.db2.gz WITWCWMNHRGFBO-KBPBESRZSA-N 0 0 348.790 3.464 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000920967715 1322239761 /nfs/dbraw/zinc/23/97/61/1322239761.db2.gz VDAAORFCPSUCEJ-SFHVURJKSA-N 0 0 343.358 3.468 10 5 EGBERN CC[C@@H](NC(=O)N[C@]12C[C@H]1COC21CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921335587 1322294608 /nfs/dbraw/zinc/29/46/08/1322294608.db2.gz NJEIANPNIKUHAI-JCKWVBRZSA-N 0 0 345.399 3.057 10 5 EGBERN Cc1ccc(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922171021 1322471151 /nfs/dbraw/zinc/47/11/51/1322471151.db2.gz GPRGUNAKGRVWKY-ZYHUDNBSSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@@H]1Cn2nccc2N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000922210429 1322478708 /nfs/dbraw/zinc/47/87/08/1322478708.db2.gz SFLPJIQGNFXYBS-NSHDSACASA-N 0 0 348.790 3.060 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(C(F)(F)F)nn1C ZINC000922216997 1322480756 /nfs/dbraw/zinc/48/07/56/1322480756.db2.gz BQTGVVYHSCRHSR-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922493609 1322541789 /nfs/dbraw/zinc/54/17/89/1322541789.db2.gz SEXFGMHFOCAIBB-BXKDBHETSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000923065058 1322685942 /nfs/dbraw/zinc/68/59/42/1322685942.db2.gz ZQXMQUSYOZRXTR-RNCFNFMXSA-N 0 0 347.289 3.472 10 5 EGBERN CCn1nc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1C1CC1 ZINC000923511402 1322766659 /nfs/dbraw/zinc/76/66/59/1322766659.db2.gz LNIIWRSCJVPUMR-UHFFFAOYSA-N 0 0 333.319 3.185 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)O[C@H]1CCCCC1=O ZINC000923593944 1322779275 /nfs/dbraw/zinc/77/92/75/1322779275.db2.gz YJJUSVWVAVHDIF-AWEZNQCLSA-N 0 0 325.748 3.236 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000924353044 1322993163 /nfs/dbraw/zinc/99/31/63/1322993163.db2.gz OEQBHSCIAAUHFG-XHDPSFHLSA-N 0 0 341.310 3.264 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000924371848 1323000272 /nfs/dbraw/zinc/00/02/72/1323000272.db2.gz DFFYGQRPYPRNIS-BTTYYORXSA-N 0 0 346.383 3.211 10 5 EGBERN CCCC[C@](C)(F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859737072 1329067259 /nfs/dbraw/zinc/06/72/59/1329067259.db2.gz LDUVWCDBSWROAL-HNNXBMFYSA-N 0 0 329.299 3.378 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000924954877 1323226611 /nfs/dbraw/zinc/22/66/11/1323226611.db2.gz LMINLOLRHWCODH-LBPRGKRZSA-N 0 0 330.388 3.376 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000931262196 1329080767 /nfs/dbraw/zinc/08/07/67/1329080767.db2.gz NMOVTMPPWZFPPM-WDEREUQCSA-N 0 0 339.417 3.399 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000931270603 1329083186 /nfs/dbraw/zinc/08/31/86/1329083186.db2.gz YXSYAFFFYLMIAY-VURMDHGXSA-N 0 0 344.279 3.482 10 5 EGBERN CCOC(=O)CCCOC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810934 1329083405 /nfs/dbraw/zinc/08/34/05/1329083405.db2.gz DMBZAEYXRWTQHS-UHFFFAOYSA-N 0 0 331.324 3.248 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC000931325855 1329094364 /nfs/dbraw/zinc/09/43/64/1329094364.db2.gz VAMNJOKZZMCGBE-VURMDHGXSA-N 0 0 328.324 3.017 10 5 EGBERN C[C@H](CNC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000931437573 1329117622 /nfs/dbraw/zinc/11/76/22/1329117622.db2.gz SVHHAYPTFZQBOH-RNCFNFMXSA-N 0 0 345.321 3.338 10 5 EGBERN C[C@H](OC(=O)[C@@H]1C[C@@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000860120208 1329151474 /nfs/dbraw/zinc/15/14/74/1329151474.db2.gz QJHKXHFDEQNFQE-LJUAHTATSA-N 0 0 328.162 3.373 10 5 EGBERN C[C@H](OC(=O)[C@@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000860120209 1329151492 /nfs/dbraw/zinc/15/14/92/1329151492.db2.gz QJHKXHFDEQNFQE-QWRKXWFKSA-N 0 0 328.162 3.373 10 5 EGBERN C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000925456138 1325157986 /nfs/dbraw/zinc/15/79/86/1325157986.db2.gz ZGONBLIBNZUULN-KRWDZBQOSA-N 0 0 343.408 3.138 10 5 EGBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000926031169 1325394672 /nfs/dbraw/zinc/39/46/72/1325394672.db2.gz ODNPDSBYAWULLE-QFIPXVFZSA-N 0 0 328.365 3.305 10 5 EGBERN CCOC(=O)C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860470229 1329321322 /nfs/dbraw/zinc/32/13/22/1329321322.db2.gz XWYBAUQOFQTVTA-LBPRGKRZSA-N 0 0 344.367 3.067 10 5 EGBERN CC[C@@]1(C)COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860560347 1329330709 /nfs/dbraw/zinc/33/07/09/1329330709.db2.gz SRAMNXXBPREDRI-SFHVURJKSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861010950 1329377875 /nfs/dbraw/zinc/37/78/75/1329377875.db2.gz QBROBIKOYKLNGD-SJKOYZFVSA-N 0 0 328.368 3.029 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927292128 1327959355 /nfs/dbraw/zinc/95/93/55/1327959355.db2.gz FMBMMLQCRQHDCD-CYBMUJFWSA-N 0 0 346.280 3.030 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927427550 1328022137 /nfs/dbraw/zinc/02/21/37/1328022137.db2.gz AISANYOAHKFJRV-XJKSGUPXSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc(C(=O)N2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000928139299 1328213259 /nfs/dbraw/zinc/21/32/59/1328213259.db2.gz AVGCFHUVQVZGOQ-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)n1 ZINC000928197095 1328231080 /nfs/dbraw/zinc/23/10/80/1328231080.db2.gz RWXPTMIMXZNYJC-LLVKDONJSA-N 0 0 348.790 3.002 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)n1 ZINC000928208488 1328236681 /nfs/dbraw/zinc/23/66/81/1328236681.db2.gz BLORPECTGCCGJS-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN C[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246679 1328254227 /nfs/dbraw/zinc/25/42/27/1328254227.db2.gz KISBNBJPVPAAEQ-SNVBAGLBSA-N 0 0 346.305 3.131 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928366404 1328290098 /nfs/dbraw/zinc/29/00/98/1328290098.db2.gz BKVQMUTZBNVJPD-INIZCTEOSA-N 0 0 342.399 3.429 10 5 EGBERN Cc1ncc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c(C2CC2)n1 ZINC000861509692 1329423125 /nfs/dbraw/zinc/42/31/25/1329423125.db2.gz OHXIFOSKQZNBTD-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1=COCCC1 ZINC000861443418 1329418631 /nfs/dbraw/zinc/41/86/31/1329418631.db2.gz CJBICVASLSWEPG-LBPRGKRZSA-N 0 0 331.246 3.436 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1=COCCC1 ZINC000861443417 1329418639 /nfs/dbraw/zinc/41/86/39/1329418639.db2.gz CJBICVASLSWEPG-GFCCVEGCSA-N 0 0 331.246 3.436 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CCCCO1 ZINC000861445047 1329418939 /nfs/dbraw/zinc/41/89/39/1329418939.db2.gz WDSDRUXBYKUENN-VXGBXAGGSA-N 0 0 333.262 3.311 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000929116838 1328509339 /nfs/dbraw/zinc/50/93/39/1328509339.db2.gz BCZIVAUEVPXYFU-UONOGXRCSA-N 0 0 333.388 3.265 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ccn(C)n2)CC1 ZINC000929118667 1328510383 /nfs/dbraw/zinc/51/03/83/1328510383.db2.gz RKDCRESLMOQICP-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000929132892 1328515342 /nfs/dbraw/zinc/51/53/42/1328515342.db2.gz IFUIUDUCRYRAAG-JQWIXIFHSA-N 0 0 332.278 3.342 10 5 EGBERN CON(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861565596 1329427036 /nfs/dbraw/zinc/42/70/36/1329427036.db2.gz VFEWZZRBIFHRJL-UHFFFAOYSA-N 0 0 344.367 3.178 10 5 EGBERN COC(=O)/C=C\c1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000861665493 1329434964 /nfs/dbraw/zinc/43/49/64/1329434964.db2.gz KGVUKAZYYPOAJD-NTMALXAHSA-N 0 0 343.335 3.369 10 5 EGBERN CC[C@H](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862101286 1329459119 /nfs/dbraw/zinc/45/91/19/1329459119.db2.gz PLPQUBLGIZDHPB-GXTWGEPZSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000862204095 1329465345 /nfs/dbraw/zinc/46/53/45/1329465345.db2.gz XKSMPFZLXFMADT-DOMZBBRYSA-N 0 0 328.368 3.435 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1 ZINC000862727789 1329505625 /nfs/dbraw/zinc/50/56/25/1329505625.db2.gz LYSLLDLNFWBANW-QLZIMGNHSA-N 0 0 332.425 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862803986 1329511571 /nfs/dbraw/zinc/51/15/71/1329511571.db2.gz RIBQBROFXYHCGV-IBGZPJMESA-N 0 0 340.379 3.027 10 5 EGBERN Cc1c(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000863126483 1329529966 /nfs/dbraw/zinc/52/99/66/1329529966.db2.gz JXUKOUPRNDXNKU-DPIQGUFMSA-N 0 0 347.371 3.286 10 5 EGBERN Nc1c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000863244903 1329538650 /nfs/dbraw/zinc/53/86/50/1329538650.db2.gz KMFNBGZONZRNHQ-CWRNSKLLSA-N 0 0 337.379 3.053 10 5 EGBERN CCCCCCC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863300087 1329544990 /nfs/dbraw/zinc/54/49/90/1329544990.db2.gz DPJMICQTEHJENG-QGZVFWFLSA-N 0 0 336.388 3.070 10 5 EGBERN CC1(c2ccc(CNc3ccc(N)cc3[N+](=O)[O-])cc2)OCCO1 ZINC000864021930 1329593847 /nfs/dbraw/zinc/59/38/47/1329593847.db2.gz AYHIEYXUZFNGRH-UHFFFAOYSA-N 0 0 329.356 3.009 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(-n2nccn2)c1 ZINC000864033379 1329594413 /nfs/dbraw/zinc/59/44/13/1329594413.db2.gz UFSPTLOIEUMCIQ-UHFFFAOYSA-N 0 0 339.355 3.186 10 5 EGBERN C[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000864931885 1329653052 /nfs/dbraw/zinc/65/30/52/1329653052.db2.gz SYEYAIMNDJGHNM-LBPRGKRZSA-N 0 0 343.383 3.003 10 5 EGBERN CCC[C@@]12CCCN1C(=O)N(Cc1ccc(C)c([N+](=O)[O-])c1)C2=O ZINC000865328136 1329686649 /nfs/dbraw/zinc/68/66/49/1329686649.db2.gz UGQTXPKMZGJDLP-KRWDZBQOSA-N 0 0 331.372 3.000 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865358882 1329688696 /nfs/dbraw/zinc/68/86/96/1329688696.db2.gz QCFAQAYQCPXPFI-LBPRGKRZSA-N 0 0 327.764 3.213 10 5 EGBERN CCn1cnc2c1nc(Cl)nc2NCCc1ccccc1[N+](=O)[O-] ZINC000865562968 1329713796 /nfs/dbraw/zinc/71/37/96/1329713796.db2.gz XCYKDBAAODAMRQ-UHFFFAOYSA-N 0 0 346.778 3.062 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@@H](c3ccccn3)C2)cc1F ZINC000865923274 1329752243 /nfs/dbraw/zinc/75/22/43/1329752243.db2.gz LLXYWLDRPIEYOY-GFCCVEGCSA-N 0 0 331.347 3.005 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@H](Cn2ccnn2)C1 ZINC000865932144 1329752531 /nfs/dbraw/zinc/75/25/31/1329752531.db2.gz OSSXIKPNGQWFDW-VIFPVBQESA-N 0 0 342.186 3.020 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1c2ccccc2OC[C@H]1CO ZINC000934212844 1329956243 /nfs/dbraw/zinc/95/62/43/1329956243.db2.gz XVMXDBBXESQXKY-SJKOYZFVSA-N 0 0 348.786 3.080 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000866052881 1330059971 /nfs/dbraw/zinc/05/99/71/1330059971.db2.gz NKGRTQWKKHVUEP-HIFRSBDPSA-N 0 0 333.775 3.346 10 5 EGBERN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000866132145 1330068878 /nfs/dbraw/zinc/06/88/78/1330068878.db2.gz AXOUJQFTQWONBV-INIZCTEOSA-N 0 0 334.326 3.265 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000866145212 1330070430 /nfs/dbraw/zinc/07/04/30/1330070430.db2.gz IQPWVWPTPKVYGN-AWEZNQCLSA-N 0 0 338.379 3.154 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000866151535 1330071218 /nfs/dbraw/zinc/07/12/18/1330071218.db2.gz JVTQAHVZXBDIQS-ZJUUUORDSA-N 0 0 341.820 3.465 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000866159760 1330072019 /nfs/dbraw/zinc/07/20/19/1330072019.db2.gz NLDFYYSKGQRWAV-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN COc1ccc([C@H]2CN(c3cc(OC)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233353 1330081770 /nfs/dbraw/zinc/08/17/70/1330081770.db2.gz FMYISKYQTPARIN-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccc([C@H]2CN(c3cccc(OC)c3[N+](=O)[O-])CCO2)cc1 ZINC000866235431 1330082256 /nfs/dbraw/zinc/08/22/56/1330082256.db2.gz CTKHQAZCVGCAHP-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000866272396 1330088786 /nfs/dbraw/zinc/08/87/86/1330088786.db2.gz NRTOOQNXYAKXDW-CQSZACIVSA-N 0 0 344.415 3.419 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000866451368 1330114081 /nfs/dbraw/zinc/11/40/81/1330114081.db2.gz JCWBIAKXUIDVCM-ARFHVFGLSA-N 0 0 332.379 3.288 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1conc1C1CCCC1 ZINC000867032347 1330167322 /nfs/dbraw/zinc/16/73/22/1330167322.db2.gz MDENBJQZXPUIIB-UHFFFAOYSA-N 0 0 329.356 3.213 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCSc4ccccc43)no2)n1 ZINC000867148642 1330179203 /nfs/dbraw/zinc/17/92/03/1330179203.db2.gz SNJKNHLDISGSTG-SNVBAGLBSA-N 0 0 343.368 3.006 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000868120930 1330251860 /nfs/dbraw/zinc/25/18/60/1330251860.db2.gz ATKZIJVHIWPUMM-XGWLTEMNSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000868122720 1330251930 /nfs/dbraw/zinc/25/19/30/1330251930.db2.gz QJPFSDHNHICOHU-ZFWWWQNUSA-N 0 0 347.415 3.162 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000868410056 1330278145 /nfs/dbraw/zinc/27/81/45/1330278145.db2.gz IHVPTTYLHCIVSC-HNNXBMFYSA-N 0 0 341.367 3.145 10 5 EGBERN COC1CCC(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000868498161 1330286663 /nfs/dbraw/zinc/28/66/63/1330286663.db2.gz JRESNPFFNAHCMM-UHFFFAOYSA-N 0 0 349.431 3.298 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000868530075 1330290777 /nfs/dbraw/zinc/29/07/77/1330290777.db2.gz DQWUBHTZGFBFGS-LBPRGKRZSA-N 0 0 333.310 3.289 10 5 EGBERN CCOC(CN(CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000868769072 1330337000 /nfs/dbraw/zinc/33/70/00/1330337000.db2.gz JKDKYIOMZARQMO-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN CNc1c(C(=O)N2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000869050469 1330402068 /nfs/dbraw/zinc/40/20/68/1330402068.db2.gz ILJJUXWNTIDICX-AWEZNQCLSA-N 0 0 340.383 3.051 10 5 EGBERN CC(C)c1ccc(C(=O)O[C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000869479530 1330508290 /nfs/dbraw/zinc/50/82/90/1330508290.db2.gz SNEYGKRSLZTJLY-MRXNPFEDSA-N 0 0 346.383 3.028 10 5 EGBERN O=C(OCc1cnc(Cl)cn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810192 1330568605 /nfs/dbraw/zinc/56/86/05/1330568605.db2.gz FSGNQPCWMVRSEA-UHFFFAOYSA-N 0 0 347.758 3.203 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000869824406 1330571460 /nfs/dbraw/zinc/57/14/60/1330571460.db2.gz PRQKLYAFADZDJJ-DIKSDDLMSA-N 0 0 344.411 3.006 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCCCCOc1ccc(F)cc1 ZINC001184750747 1387527550 /nfs/dbraw/zinc/52/75/50/1387527550.db2.gz RSMVMOPRYKLEDM-UHFFFAOYSA-N 0 0 339.754 3.475 10 5 EGBERN Cc1cc(Cl)c(C(=O)OCC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001324286228 1387581737 /nfs/dbraw/zinc/58/17/37/1387581737.db2.gz LXUYMBJZKVHAAI-UHFFFAOYSA-N 0 0 327.764 3.265 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@@H](O)COCC1CC1 ZINC001185204753 1387649063 /nfs/dbraw/zinc/64/90/63/1387649063.db2.gz QXNUYDZYJGAQAN-SECBINFHSA-N 0 0 335.187 3.101 10 5 EGBERN Cc1ccc(NCCCNc2cc(C3CC3)ncn2)c([N+](=O)[O-])c1 ZINC001185450023 1387719774 /nfs/dbraw/zinc/71/97/74/1387719774.db2.gz BZOWZRNEHVKBJT-UHFFFAOYSA-N 0 0 327.388 3.485 10 5 EGBERN C[C@@H]1CCCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193576145 1368065255 /nfs/dbraw/zinc/06/52/55/1368065255.db2.gz YWERXWQJRGBFRD-LLVKDONJSA-N 0 0 325.796 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001197543631 1368836365 /nfs/dbraw/zinc/83/63/65/1368836365.db2.gz RWLIKCIDAJPSGB-KRWDZBQOSA-N 0 0 346.358 3.396 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H](OC)C23CCC3)cc1C ZINC001186669934 1387996776 /nfs/dbraw/zinc/99/67/76/1387996776.db2.gz QELOQNYPEWGPDJ-CVEARBPZSA-N 0 0 348.399 3.449 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CC(Cc4ccco4)C3)c2c1 ZINC001187033986 1388043135 /nfs/dbraw/zinc/04/31/35/1388043135.db2.gz CWDYEHQYMONVFY-UHFFFAOYSA-N 0 0 339.351 3.424 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Br)c(F)c1F ZINC001187233891 1388078426 /nfs/dbraw/zinc/07/84/26/1388078426.db2.gz LTWOPPXTRNEKMX-UHFFFAOYSA-N 0 0 344.115 3.065 10 5 EGBERN COc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC001187362364 1388099560 /nfs/dbraw/zinc/09/95/60/1388099560.db2.gz XBVNMHZKUQCIHW-UHFFFAOYSA-N 0 0 347.327 3.441 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001117827185 1371097073 /nfs/dbraw/zinc/09/70/73/1371097073.db2.gz VXODTFHXCLDJFD-UHFFFAOYSA-N 0 0 334.763 3.040 10 5 EGBERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001118200697 1371145011 /nfs/dbraw/zinc/14/50/11/1371145011.db2.gz BWIWMDBHOJYREM-SNVBAGLBSA-N 0 0 349.774 3.128 10 5 EGBERN COc1cc(N2CC[C@H]3OCCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001118529967 1371193261 /nfs/dbraw/zinc/19/32/61/1371193261.db2.gz WYBDWQXHEMLTLQ-QMTHXVAHSA-N 0 0 326.780 3.262 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001118730950 1371217295 /nfs/dbraw/zinc/21/72/95/1371217295.db2.gz KSYRGEWAQRTLHW-UHFFFAOYSA-N 0 0 348.252 3.114 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118868752 1371243581 /nfs/dbraw/zinc/24/35/81/1371243581.db2.gz PSTYSKNCQDJGLK-LOKDSWTASA-N 0 0 336.779 3.415 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001118928070 1371251570 /nfs/dbraw/zinc/25/15/70/1371251570.db2.gz IVFDIIZOVYWLJB-KOLCDFICSA-N 0 0 336.779 3.195 10 5 EGBERN C[C@@H](CNC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1[N+](=O)[O-] ZINC001119893270 1371418013 /nfs/dbraw/zinc/41/80/13/1371418013.db2.gz WTDVPMPUZIWGMQ-JTQLQIEISA-N 0 0 345.321 3.483 10 5 EGBERN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001187841186 1388175245 /nfs/dbraw/zinc/17/52/45/1388175245.db2.gz IQNLUMUGSMIKDY-HNNXBMFYSA-N 0 0 345.309 3.203 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc([N+](=O)[O-])nc3)CCC[C@@H]12 ZINC001187881456 1388183706 /nfs/dbraw/zinc/18/37/06/1388183706.db2.gz ZVCDVAXRJABECU-DYVFJYSZSA-N 0 0 348.403 3.334 10 5 EGBERN CO[C@@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001187889901 1388184001 /nfs/dbraw/zinc/18/40/01/1388184001.db2.gz ZXOZNOCMXBCQBJ-QZTJIDSGSA-N 0 0 340.379 3.439 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001187920118 1388190486 /nfs/dbraw/zinc/19/04/86/1388190486.db2.gz CZJYYUYVQKPAGB-GFCCVEGCSA-N 0 0 336.392 3.190 10 5 EGBERN O=C(OCc1ccn(C(F)F)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001123037752 1372367422 /nfs/dbraw/zinc/36/74/22/1372367422.db2.gz DJBXDKFVQQVTMM-CHWSQXEVSA-N 0 0 337.282 3.033 10 5 EGBERN COCCC[C@H](C)OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001123324146 1372425779 /nfs/dbraw/zinc/42/57/79/1372425779.db2.gz DMOHWQFXTSBFPC-VIFPVBQESA-N 0 0 333.287 3.168 10 5 EGBERN C[C@H](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC001123347746 1372437033 /nfs/dbraw/zinc/43/70/33/1372437033.db2.gz VARFXJJXDCNOLO-CYBMUJFWSA-N 0 0 346.383 3.155 10 5 EGBERN CCCC[C@](C)(F)C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001123367778 1372444299 /nfs/dbraw/zinc/44/42/99/1372444299.db2.gz BYSRESNFBIVLFI-HNNXBMFYSA-N 0 0 327.308 3.190 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001123453977 1372474565 /nfs/dbraw/zinc/47/45/65/1372474565.db2.gz SLWJPIOWOKEGSF-WQAKAFBOSA-N 0 0 325.315 3.459 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001123697074 1372562834 /nfs/dbraw/zinc/56/28/34/1372562834.db2.gz STZQHXZIBOHUHR-XKQJLSEDSA-N 0 0 347.415 3.399 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001124126508 1372677395 /nfs/dbraw/zinc/67/73/95/1372677395.db2.gz AIXGKVQYIXPLSF-CVEARBPZSA-N 0 0 342.370 3.271 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2ccccn2)nc1 ZINC001124332039 1372692926 /nfs/dbraw/zinc/69/29/26/1372692926.db2.gz QOIRMVQHBXZTAL-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnc2ccccc2c1O ZINC001124397306 1372698285 /nfs/dbraw/zinc/69/82/85/1372698285.db2.gz ZXGAPYCDMLRNGD-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN Cn1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1 ZINC001124396118 1372698440 /nfs/dbraw/zinc/69/84/40/1372698440.db2.gz FPXBXKQFZNPLKV-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN CN(C(=O)Cc1ccc([Si](C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001124626367 1372717718 /nfs/dbraw/zinc/71/77/18/1372717718.db2.gz VYHASTSQNKVSNX-UHFFFAOYSA-N 0 0 342.471 3.346 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC001125182290 1372759183 /nfs/dbraw/zinc/75/91/83/1372759183.db2.gz OPXSQCFKEYJVGA-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN Cc1c(OC(=O)c2cccc3c2OC(F)(F)O3)cccc1[N+](=O)[O-] ZINC001125229009 1372761885 /nfs/dbraw/zinc/76/18/85/1372761885.db2.gz WGBSXJUBCCVQGW-UHFFFAOYSA-N 0 0 337.234 3.444 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2ccncc21 ZINC001125316181 1372769938 /nfs/dbraw/zinc/76/99/38/1372769938.db2.gz LKIPYHPNBLDSFP-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN Cc1cnccc1/C=C/C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125791146 1372857255 /nfs/dbraw/zinc/85/72/55/1372857255.db2.gz JMAMICKBVFBKMU-FARCUNLSSA-N 0 0 349.350 3.136 10 5 EGBERN Cc1nn(C)c(Cl)c1COC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001126404179 1372963114 /nfs/dbraw/zinc/96/31/14/1372963114.db2.gz RSYZWUPKRIVGIN-UHFFFAOYSA-N 0 0 341.726 3.095 10 5 EGBERN Cc1ccc(CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001126413849 1372963904 /nfs/dbraw/zinc/96/39/04/1372963904.db2.gz SNDSJMNJHJNSDM-UHFFFAOYSA-N 0 0 329.308 3.031 10 5 EGBERN O=C(c1ocnc1-c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126611638 1372983291 /nfs/dbraw/zinc/98/32/91/1372983291.db2.gz KRLBQVYISWKNPM-UHFFFAOYSA-N 0 0 335.319 3.406 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ncnc3ccsc32)cc1[N+](=O)[O-] ZINC001126615293 1372984413 /nfs/dbraw/zinc/98/44/13/1372984413.db2.gz SEEDXOIGCUPZOH-SNVBAGLBSA-N 0 0 342.380 3.399 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001326544101 1388236039 /nfs/dbraw/zinc/23/60/39/1388236039.db2.gz QGHWSRUQMOHTFZ-UHFFFAOYSA-N 0 0 343.387 3.037 10 5 EGBERN CCn1cc(Cl)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC001126982401 1373062697 /nfs/dbraw/zinc/06/26/97/1373062697.db2.gz AVILMQFGLFDQAO-UHFFFAOYSA-N 0 0 348.790 3.269 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001127195570 1373102416 /nfs/dbraw/zinc/10/24/16/1373102416.db2.gz YVNVNXMILPELSO-INIZCTEOSA-N 0 0 348.447 3.451 10 5 EGBERN COc1cc(F)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1F ZINC001127212385 1373104718 /nfs/dbraw/zinc/10/47/18/1373104718.db2.gz IKCKBAFXYLLNGL-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN CC[C@H](OC(=O)c1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC001127624609 1373149488 /nfs/dbraw/zinc/14/94/88/1373149488.db2.gz QGPWCMKBTOMHBC-ZDUSSCGKSA-N 0 0 349.368 3.318 10 5 EGBERN Cc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])nn1-c1ccccc1 ZINC001127652960 1373153629 /nfs/dbraw/zinc/15/36/29/1373153629.db2.gz IQPLUGLNMOESEV-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CCOc1ccc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC001127896095 1373197275 /nfs/dbraw/zinc/19/72/75/1373197275.db2.gz GQJTZTHLGKZPTG-UHFFFAOYSA-N 0 0 344.367 3.417 10 5 EGBERN CC(=Cc1ccccn1)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001127967096 1373204536 /nfs/dbraw/zinc/20/45/36/1373204536.db2.gz DUAAFZCOLICUTI-FMIVXFBMSA-N 0 0 348.362 3.310 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCOc2ccc(F)cc21 ZINC001128008451 1373207604 /nfs/dbraw/zinc/20/76/04/1373207604.db2.gz XXQYPMYMDBMQER-CQSZACIVSA-N 0 0 348.305 3.056 10 5 EGBERN COc1cc(C(=O)N(Cc2ccccn2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001128143427 1373222817 /nfs/dbraw/zinc/22/28/17/1373222817.db2.gz IFDYLDIPCOCJHO-UHFFFAOYSA-N 0 0 343.383 3.439 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccsc1 ZINC001128488798 1373276982 /nfs/dbraw/zinc/27/69/82/1373276982.db2.gz URKBZGKOBNLILL-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN COc1cc(C(=O)Oc2ccc3cc[nH]c3c2)c([N+](=O)[O-])cc1F ZINC001128754601 1373309117 /nfs/dbraw/zinc/30/91/17/1373309117.db2.gz ZZSQCAZJESUOLT-UHFFFAOYSA-N 0 0 330.271 3.443 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccncc1N1CCCC1 ZINC001128847992 1373315740 /nfs/dbraw/zinc/31/57/40/1373315740.db2.gz YUAZIMNBYPZJRM-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN CN=[S@@](C)(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC001128996229 1373333079 /nfs/dbraw/zinc/33/30/79/1373333079.db2.gz LZFVPAWDTURODT-DEOSSOPVSA-N 0 0 347.396 3.242 10 5 EGBERN O=C(Cc1cccc(F)c1F)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129108404 1373346898 /nfs/dbraw/zinc/34/68/98/1373346898.db2.gz PBFTVIIPBMYCSV-UHFFFAOYSA-N 0 0 336.269 3.144 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)C2CC2)n1 ZINC001129374682 1373376946 /nfs/dbraw/zinc/37/69/46/1373376946.db2.gz SQFUBQFYIVUZIV-INIZCTEOSA-N 0 0 325.368 3.222 10 5 EGBERN C[C@H]1C[C@@H]1N(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001129642350 1373406421 /nfs/dbraw/zinc/40/64/21/1373406421.db2.gz BJPKIVXFIIJOJJ-GUYCJALGSA-N 0 0 326.352 3.415 10 5 EGBERN Cc1c(F)c(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001129668335 1373410543 /nfs/dbraw/zinc/41/05/43/1373410543.db2.gz XJAZAJCYRNTLBH-UHFFFAOYSA-N 0 0 337.238 3.342 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001129693249 1373413422 /nfs/dbraw/zinc/41/34/22/1373413422.db2.gz VCUPABSHIQGXNI-LLVKDONJSA-N 0 0 328.324 3.124 10 5 EGBERN COc1ccc(C(=O)N2CCc3cccc(Cl)c3C2)cc1[N+](=O)[O-] ZINC001129701334 1373414214 /nfs/dbraw/zinc/41/42/14/1373414214.db2.gz RPUMPTIILHFMRY-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccnc(Cl)c2F)c1[N+](=O)[O-] ZINC001129740181 1373418835 /nfs/dbraw/zinc/41/88/35/1373418835.db2.gz RXUYKNUHRBWXPJ-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN CCC(CC)(CNC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001129963034 1373440577 /nfs/dbraw/zinc/44/05/77/1373440577.db2.gz JLZQDFISBTVNFE-UHFFFAOYSA-N 0 0 344.452 3.086 10 5 EGBERN COc1cc(C)c(OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 ZINC001130171567 1373470030 /nfs/dbraw/zinc/47/00/30/1373470030.db2.gz ADPFUTTZFMWIAD-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc2ccccc2nn1 ZINC001130176035 1373470589 /nfs/dbraw/zinc/47/05/89/1373470589.db2.gz ZXKXNDXJZDRBMQ-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001130613876 1373571014 /nfs/dbraw/zinc/57/10/14/1373571014.db2.gz LRIIMVHMEPGNFR-LMPOIIKSSA-N 0 0 345.443 3.362 10 5 EGBERN CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC001130720681 1373584864 /nfs/dbraw/zinc/58/48/64/1373584864.db2.gz ZIXCEHAPBKXTSB-UHFFFAOYSA-N 0 0 338.722 3.429 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1noc2c1CCCC2 ZINC001130758813 1373588157 /nfs/dbraw/zinc/58/81/57/1373588157.db2.gz ORKKRHKGKMYVBF-UHFFFAOYSA-N 0 0 338.323 3.262 10 5 EGBERN Cc1ccc(C(=O)C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC001130758820 1373588676 /nfs/dbraw/zinc/58/86/76/1373588676.db2.gz OWIHNNUPOPIXLQ-UHFFFAOYSA-N 0 0 335.319 3.273 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001130770626 1373589477 /nfs/dbraw/zinc/58/94/77/1373589477.db2.gz HUWFLLGHPPGHFQ-UHFFFAOYSA-N 0 0 345.311 3.097 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl ZINC001130919146 1373608131 /nfs/dbraw/zinc/60/81/31/1373608131.db2.gz GFDVOTYLPJTDCW-UHFFFAOYSA-N 0 0 338.722 3.429 10 5 EGBERN CSc1ccc(C(=O)Nc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001131142669 1373651524 /nfs/dbraw/zinc/65/15/24/1373651524.db2.gz KWIVLDOTKGUQNF-UHFFFAOYSA-N 0 0 328.353 3.217 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC001131177451 1373657747 /nfs/dbraw/zinc/65/77/47/1373657747.db2.gz HURWRIOFWNBJLH-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CSc1cc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])ncn1 ZINC001131435670 1373697856 /nfs/dbraw/zinc/69/78/56/1373697856.db2.gz BEQWOSPHMQGLOB-UHFFFAOYSA-N 0 0 338.776 3.321 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC001188324588 1388290814 /nfs/dbraw/zinc/29/08/14/1388290814.db2.gz KHVKZHRSIVSUDM-CYBMUJFWSA-N 0 0 327.402 3.025 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001326783077 1388308549 /nfs/dbraw/zinc/30/85/49/1388308549.db2.gz COLNCQHLOLTJLO-FZNQNYSPSA-N 0 0 347.415 3.009 10 5 EGBERN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001131928586 1375050909 /nfs/dbraw/zinc/05/09/09/1375050909.db2.gz VTUQIPZLYRKBTD-ZDUSSCGKSA-N 0 0 341.367 3.431 10 5 EGBERN Cc1c(C(=O)N[C@@H](C)CC2CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001131927302 1375050963 /nfs/dbraw/zinc/05/09/63/1375050963.db2.gz OKEYGIOJLFWJIU-VIFPVBQESA-N 0 0 335.360 3.428 10 5 EGBERN O=C(Cc1cscn1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001131967123 1375074613 /nfs/dbraw/zinc/07/46/13/1375074613.db2.gz ZTXAMLABZWCSBS-GFCCVEGCSA-N 0 0 346.286 3.441 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001225569923 1375126109 /nfs/dbraw/zinc/12/61/09/1375126109.db2.gz ANJSPVLIHWEFFR-HOCLYGCPSA-N 0 0 337.420 3.264 10 5 EGBERN CN(CC(=O)N1CC(C)(C)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001132089204 1375140418 /nfs/dbraw/zinc/14/04/18/1375140418.db2.gz SKMAJEHNESQUII-UHFFFAOYSA-N 0 0 339.395 3.355 10 5 EGBERN Cc1c(CC(=O)NCc2ccc3cccnc3c2)cccc1[N+](=O)[O-] ZINC001132121705 1375157628 /nfs/dbraw/zinc/15/76/28/1375157628.db2.gz INOILCMRFHHPFX-UHFFFAOYSA-N 0 0 335.363 3.310 10 5 EGBERN CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1 ZINC001132267836 1375255839 /nfs/dbraw/zinc/25/58/39/1375255839.db2.gz OUNASNFSYKXSBF-KRWDZBQOSA-N 0 0 331.347 3.493 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001132427635 1375373903 /nfs/dbraw/zinc/37/39/03/1375373903.db2.gz GPKWUFXXGLHTMX-UHFFFAOYSA-N 0 0 344.323 3.406 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cn1ncc2ccccc21 ZINC001132431466 1375376861 /nfs/dbraw/zinc/37/68/61/1375376861.db2.gz DZUIJIODUXLUNJ-UHFFFAOYSA-N 0 0 339.351 3.305 10 5 EGBERN CC1(C)CCC(C)(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC001132469327 1375411470 /nfs/dbraw/zinc/41/14/70/1375411470.db2.gz SUNNQJSKZUPRTC-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)n1 ZINC001132480907 1375416507 /nfs/dbraw/zinc/41/65/07/1375416507.db2.gz ZSMSUZRJVNILAF-GOSISDBHSA-N 0 0 343.358 3.399 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001132747291 1375543961 /nfs/dbraw/zinc/54/39/61/1375543961.db2.gz IWUGRPLFBIFIAP-SECBINFHSA-N 0 0 347.396 3.437 10 5 EGBERN C[C@H](OC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC001132750465 1375546210 /nfs/dbraw/zinc/54/62/10/1375546210.db2.gz MVQWFYSIQXHUNQ-QFYYESIMSA-N 0 0 331.299 3.342 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)n1 ZINC001132774554 1375556020 /nfs/dbraw/zinc/55/60/20/1375556020.db2.gz ALDDZAQWEQOREZ-HOCLYGCPSA-N 0 0 329.331 3.054 10 5 EGBERN CC1(C)C[C@@]1(C)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001133223691 1375852248 /nfs/dbraw/zinc/85/22/48/1375852248.db2.gz BIKRWXKIUMXJAC-SFHVURJKSA-N 0 0 342.399 3.006 10 5 EGBERN CC(=O)c1cc(F)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001133747903 1376187876 /nfs/dbraw/zinc/18/78/76/1376187876.db2.gz KZTAINUOQNIDHK-UHFFFAOYSA-N 0 0 345.330 3.377 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001133776389 1376202810 /nfs/dbraw/zinc/20/28/10/1376202810.db2.gz ZAUDNKNJNRODIM-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN CCc1cc(C(=O)OC)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001133960683 1376286368 /nfs/dbraw/zinc/28/63/68/1376286368.db2.gz ZKURYFRHHLDJEA-UHFFFAOYSA-N 0 0 342.351 3.125 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCC=CCC1 ZINC001134207294 1376418523 /nfs/dbraw/zinc/41/85/23/1376418523.db2.gz UPMPPADULLTPOU-UHFFFAOYSA-N 0 0 327.384 3.481 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cccnc2)n1 ZINC001134245579 1376430797 /nfs/dbraw/zinc/43/07/97/1376430797.db2.gz HAAKFDNRERPXGZ-UHFFFAOYSA-N 0 0 334.335 3.233 10 5 EGBERN C[C@@H](CNC(=O)c1nncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001134275278 1376451129 /nfs/dbraw/zinc/45/11/29/1376451129.db2.gz RJLBNWFQJUERHE-LBPRGKRZSA-N 0 0 336.351 3.072 10 5 EGBERN COC(=O)c1cc(C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001134553906 1376589216 /nfs/dbraw/zinc/58/92/16/1376589216.db2.gz BASYNBSDEZWBFJ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COC(=O)c1ccc(OCc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001189095726 1388456698 /nfs/dbraw/zinc/45/66/98/1388456698.db2.gz ZGCMUGRGLIOBFV-UHFFFAOYSA-N 0 0 340.694 3.148 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nn(C)c2ccccc12 ZINC001134891060 1376770482 /nfs/dbraw/zinc/77/04/82/1376770482.db2.gz KCDJVTPMCHWWCO-UHFFFAOYSA-N 0 0 342.380 3.456 10 5 EGBERN CCc1ccc2c(c1)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC001135261295 1377008878 /nfs/dbraw/zinc/00/88/78/1377008878.db2.gz UXCBMGXNAUKDGM-UHFFFAOYSA-N 0 0 328.343 3.495 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCCOC2 ZINC001135268702 1377012043 /nfs/dbraw/zinc/01/20/43/1377012043.db2.gz CPCGWRIGNGWVNZ-YQVWRLOYSA-N 0 0 344.411 3.260 10 5 EGBERN COc1cccc2c1CC[C@H]2OC(=O)COc1ccccc1[N+](=O)[O-] ZINC001135355115 1377050226 /nfs/dbraw/zinc/05/02/26/1377050226.db2.gz MEAWFUICFYBDJI-MRXNPFEDSA-N 0 0 343.335 3.213 10 5 EGBERN CC(C)(F)c1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])no1 ZINC001135372506 1377059794 /nfs/dbraw/zinc/05/97/94/1377059794.db2.gz AIMRTKZTDNAWIN-UHFFFAOYSA-N 0 0 339.298 3.498 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001135744962 1377200052 /nfs/dbraw/zinc/20/00/52/1377200052.db2.gz YMSZCSYLVQESPU-DLBZAZTESA-N 0 0 340.335 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC001135968220 1377280693 /nfs/dbraw/zinc/28/06/93/1377280693.db2.gz NGGZZYXMIYVCTB-UHFFFAOYSA-N 0 0 326.312 3.046 10 5 EGBERN CC(C)Oc1cc(C(=O)Nn2cnc3ccccc32)ccc1[N+](=O)[O-] ZINC001136104957 1377344826 /nfs/dbraw/zinc/34/48/26/1377344826.db2.gz ZCCKZGWKFRJVOQ-UHFFFAOYSA-N 0 0 340.339 3.116 10 5 EGBERN CC(C)C[C@H]1CCCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136859852 1377431692 /nfs/dbraw/zinc/43/16/92/1377431692.db2.gz FNIRZLHJRAGMBU-SNVBAGLBSA-N 0 0 328.800 3.402 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)o1 ZINC001137037018 1377463154 /nfs/dbraw/zinc/46/31/54/1377463154.db2.gz MFPARYYAFNXSOA-GXFFZTMASA-N 0 0 344.371 3.087 10 5 EGBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(CC)CC ZINC001137064244 1377471247 /nfs/dbraw/zinc/47/12/47/1377471247.db2.gz YALOMPVRJDRJBR-CVEARBPZSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC001137313159 1377514851 /nfs/dbraw/zinc/51/48/51/1377514851.db2.gz RJFGLHKEMCKAGN-GFCCVEGCSA-N 0 0 344.342 3.434 10 5 EGBERN O=Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1F ZINC001137531373 1377561758 /nfs/dbraw/zinc/56/17/58/1377561758.db2.gz SHJOAHHVRSUDEQ-UHFFFAOYSA-N 0 0 336.706 3.130 10 5 EGBERN COc1ccc(O)c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001137934483 1377648154 /nfs/dbraw/zinc/64/81/54/1377648154.db2.gz ZGUCDBBOVOTEKM-UHFFFAOYSA-N 0 0 340.694 3.354 10 5 EGBERN O=C(NN1CCCc2ccccc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138790644 1377785287 /nfs/dbraw/zinc/78/52/87/1377785287.db2.gz WRRXXGKRTBZECB-SJORKVTESA-N 0 0 337.379 3.182 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001140890975 1378170521 /nfs/dbraw/zinc/17/05/21/1378170521.db2.gz ISLMZIBJFUMUJN-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001277585047 1378234974 /nfs/dbraw/zinc/23/49/74/1378234974.db2.gz BADUKJQLKWPOEC-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC001141180813 1378260754 /nfs/dbraw/zinc/26/07/54/1378260754.db2.gz ZTVBVBWLWMRSFH-UHFFFAOYSA-N 0 0 339.355 3.495 10 5 EGBERN Cc1cc(C)cc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001280359548 1378343326 /nfs/dbraw/zinc/34/33/26/1378343326.db2.gz JAUKZNUKEMEFMU-UHFFFAOYSA-N 0 0 332.331 3.046 10 5 EGBERN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001141597127 1378349052 /nfs/dbraw/zinc/34/90/52/1378349052.db2.gz KACDPAWBDJYLBL-CQSZACIVSA-N 0 0 331.397 3.388 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001141707939 1378364278 /nfs/dbraw/zinc/36/42/78/1378364278.db2.gz OWUIMVKAWIWFCJ-TVQRCGJNSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]c1C(F)(F)F ZINC001142520667 1378452329 /nfs/dbraw/zinc/45/23/29/1378452329.db2.gz RXRPTMMIDNLZQM-UHFFFAOYSA-N 0 0 332.213 3.037 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001142746161 1378483297 /nfs/dbraw/zinc/48/32/97/1378483297.db2.gz FTDCLXPGWRSFAI-MBNYWOFBSA-N 0 0 334.420 3.010 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001143093095 1378538653 /nfs/dbraw/zinc/53/86/53/1378538653.db2.gz MHJBXGHZOSHMJF-DYVFJYSZSA-N 0 0 329.331 3.460 10 5 EGBERN CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1 ZINC001143093367 1378538726 /nfs/dbraw/zinc/53/87/26/1378538726.db2.gz ROOSERZXUJYQQU-UHFFFAOYSA-N 0 0 329.356 3.216 10 5 EGBERN C[C@@H]1CCCCN1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001144069499 1378678634 /nfs/dbraw/zinc/67/86/34/1378678634.db2.gz AKMNVADRFLKKTP-LLVKDONJSA-N 0 0 346.412 3.238 10 5 EGBERN CNc1c(C(=O)Nc2cc(F)cc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC001144769831 1378770871 /nfs/dbraw/zinc/77/08/71/1378770871.db2.gz SWXIJTBFZJDXEA-UHFFFAOYSA-N 0 0 332.335 3.094 10 5 EGBERN CC[C@@H](C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001147249613 1378996987 /nfs/dbraw/zinc/99/69/87/1378996987.db2.gz ABLDFBZIUZDAMF-VXGBXAGGSA-N 0 0 331.372 3.073 10 5 EGBERN Cc1cccn2c(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cnc12 ZINC001147286796 1379001476 /nfs/dbraw/zinc/00/14/76/1379001476.db2.gz LQMBDFAAKPKEGH-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN O=C(NCc1ccns1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001147634247 1379052884 /nfs/dbraw/zinc/05/28/84/1379052884.db2.gz YIQQCKGCNIXPDI-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN Cc1cccc([C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C(C)C)c1 ZINC001150927652 1379633402 /nfs/dbraw/zinc/63/34/02/1379633402.db2.gz HZNQMRXTELBSBB-LBPRGKRZSA-N 0 0 336.779 3.407 10 5 EGBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001152505846 1379943274 /nfs/dbraw/zinc/94/32/74/1379943274.db2.gz YGAZFDOZANCJHZ-HNNXBMFYSA-N 0 0 348.399 3.175 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC001152803437 1379982552 /nfs/dbraw/zinc/98/25/52/1379982552.db2.gz LDCQWYWYISWXGN-ZDUSSCGKSA-N 0 0 334.420 3.484 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc2ccccc21 ZINC001152838885 1379985754 /nfs/dbraw/zinc/98/57/54/1379985754.db2.gz LYRKIBPFSJPXKA-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153455487 1380080164 /nfs/dbraw/zinc/08/01/64/1380080164.db2.gz LEKDCLKONJSONU-UHFFFAOYSA-N 0 0 340.339 3.157 10 5 EGBERN Nc1c(Cl)cc(F)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001153494673 1380084359 /nfs/dbraw/zinc/08/43/59/1380084359.db2.gz GPGYQEXZCBDWGF-UHFFFAOYSA-N 0 0 349.709 3.098 10 5 EGBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001153686186 1380114460 /nfs/dbraw/zinc/11/44/60/1380114460.db2.gz WYLAMXHWWRHZRS-MRXNPFEDSA-N 0 0 346.770 3.178 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@@H]1c1ncccn1 ZINC001153913213 1380154040 /nfs/dbraw/zinc/15/40/40/1380154040.db2.gz YAOREDWIUYZCBQ-CQSZACIVSA-N 0 0 346.774 3.406 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(O)c1 ZINC001154444296 1380279132 /nfs/dbraw/zinc/27/91/32/1380279132.db2.gz BEPFCUPOSGOQTO-UHFFFAOYSA-N 0 0 346.339 3.349 10 5 EGBERN CC1(C)CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001154471725 1380284589 /nfs/dbraw/zinc/28/45/89/1380284589.db2.gz YEWICCIGCUWCMY-SNVBAGLBSA-N 0 0 334.401 3.298 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1cccnc1 ZINC001154566549 1380307274 /nfs/dbraw/zinc/30/72/74/1380307274.db2.gz SYVPLPBQOKRIDF-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN Cn1c(=O)[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc21 ZINC001155189263 1380422116 /nfs/dbraw/zinc/42/21/16/1380422116.db2.gz DKDVJCPRNLKMSU-UHFFFAOYSA-N 0 0 346.730 3.093 10 5 EGBERN CC(C)(C)CC[C@@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001155664118 1380480401 /nfs/dbraw/zinc/48/04/01/1380480401.db2.gz FBTYBCMMDNJUMV-JTQLQIEISA-N 0 0 328.796 3.165 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001288118664 1381567505 /nfs/dbraw/zinc/56/75/05/1381567505.db2.gz AEEWTWGABWKPJC-UHFFFAOYSA-N 0 0 338.678 3.368 10 5 EGBERN COC(=O)c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2ccccc21 ZINC001288180889 1381641789 /nfs/dbraw/zinc/64/17/89/1381641789.db2.gz FGSZOXLTQFXVJL-UHFFFAOYSA-N 0 0 344.367 3.400 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001288212931 1381728608 /nfs/dbraw/zinc/72/86/08/1381728608.db2.gz QBZDIYXVQBFKJP-BDAKNGLRSA-N 0 0 347.293 3.306 10 5 EGBERN COc1cc(C(=O)NCCC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001288978008 1381968831 /nfs/dbraw/zinc/96/88/31/1381968831.db2.gz CQAYMFQXCNDLCA-UHFFFAOYSA-N 0 0 340.379 3.455 10 5 EGBERN CC1(C)C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001289005826 1381971865 /nfs/dbraw/zinc/97/18/65/1381971865.db2.gz KHHVQMXWJLJJSN-AWEZNQCLSA-N 0 0 341.415 3.500 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC001289220027 1381986695 /nfs/dbraw/zinc/98/66/95/1381986695.db2.gz JWHXZJNDPIVTTD-ORAYPTAESA-N 0 0 344.411 3.334 10 5 EGBERN Nc1ccc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC001160126778 1382005647 /nfs/dbraw/zinc/00/56/47/1382005647.db2.gz QQZPSWBYIYHJBK-UHFFFAOYSA-N 0 0 349.749 3.168 10 5 EGBERN Cc1ccc2occ(CC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)c2c1 ZINC001160701962 1382173982 /nfs/dbraw/zinc/17/39/82/1382173982.db2.gz DPOCHEOPTAXDSX-UHFFFAOYSA-N 0 0 325.324 3.413 10 5 EGBERN O=C(c1ccc(Cl)[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001293661903 1382328567 /nfs/dbraw/zinc/32/85/67/1382328567.db2.gz XFPUBTGGQWEZMI-AWEZNQCLSA-N 0 0 337.788 3.464 10 5 EGBERN O=C(Nc1ccc(SC(F)(F)F)nc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001161405194 1382401417 /nfs/dbraw/zinc/40/14/17/1382401417.db2.gz BEIJSJHKSFOFMM-UHFFFAOYSA-N 0 0 332.263 3.182 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001161483552 1382419973 /nfs/dbraw/zinc/41/99/73/1382419973.db2.gz USOUKNDSKJUZTN-UHFFFAOYSA-N 0 0 348.380 3.421 10 5 EGBERN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001161843333 1382526254 /nfs/dbraw/zinc/52/62/54/1382526254.db2.gz FSDIWFGVNZLDNC-FRFSOERESA-N 0 0 334.416 3.351 10 5 EGBERN O=C(c1cc2c[nH]ccc-2n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001295351157 1382614057 /nfs/dbraw/zinc/61/40/57/1382614057.db2.gz QGEWUQVXCYWYJT-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN CN(CCCNc1ncc([N+](=O)[O-])c2ccccc21)CC(F)(F)F ZINC001162148178 1382640252 /nfs/dbraw/zinc/64/02/52/1382640252.db2.gz YLYNRRNDAZLNAU-UHFFFAOYSA-N 0 0 342.321 3.439 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1cccc(CO)c1 ZINC001162465630 1382765745 /nfs/dbraw/zinc/76/57/45/1382765745.db2.gz CFFNHZKRUOMPBN-UHFFFAOYSA-N 0 0 343.770 3.323 10 5 EGBERN CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162631423 1382816595 /nfs/dbraw/zinc/81/65/95/1382816595.db2.gz HNSOXARQPGKIRY-UHFFFAOYSA-N 0 0 343.383 3.483 10 5 EGBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001162654461 1382822364 /nfs/dbraw/zinc/82/23/64/1382822364.db2.gz IMPHOUIVLHSQEV-CRAIPNDOSA-N 0 0 339.326 3.443 10 5 EGBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001162654462 1382822792 /nfs/dbraw/zinc/82/27/92/1382822792.db2.gz IMPHOUIVLHSQEV-MAUKXSAKSA-N 0 0 339.326 3.443 10 5 EGBERN CCCCCC(C)(C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001162743123 1382855787 /nfs/dbraw/zinc/85/57/87/1382855787.db2.gz PJIFSZNIYCNBQD-UHFFFAOYSA-N 0 0 343.449 3.261 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1noc(-c2ccccc2)n1 ZINC001162813118 1382882133 /nfs/dbraw/zinc/88/21/33/1382882133.db2.gz VCHCJUBWYYRSMJ-VIFPVBQESA-N 0 0 329.291 3.352 10 5 EGBERN COC(=O)c1cc2ccc(Oc3cc[nH]c(=O)c3[N+](=O)[O-])cc2o1 ZINC001163091972 1382963008 /nfs/dbraw/zinc/96/30/08/1382963008.db2.gz JBERAAPNEYRTRV-UHFFFAOYSA-N 0 0 330.252 3.021 10 5 EGBERN Cc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CCC2)c1 ZINC001163096459 1382963434 /nfs/dbraw/zinc/96/34/34/1382963434.db2.gz GJVMMLRRSDBWSH-UHFFFAOYSA-N 0 0 343.358 3.434 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCCCC(F)(F)F)c2c1 ZINC001163287166 1383013347 /nfs/dbraw/zinc/01/33/47/1383013347.db2.gz LVUOTZIEKQYLRA-UHFFFAOYSA-N 0 0 329.278 3.328 10 5 EGBERN COc1ccc(Cl)cc1[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C ZINC001163294847 1383014487 /nfs/dbraw/zinc/01/44/87/1383014487.db2.gz RJKKHVVLEABHPK-ZDUSSCGKSA-N 0 0 337.763 3.106 10 5 EGBERN Nc1ncccc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001163327302 1383022856 /nfs/dbraw/zinc/02/28/56/1383022856.db2.gz QYDKPVWQKIGLCV-UHFFFAOYSA-N 0 0 339.330 3.385 10 5 EGBERN CCc1cc(NC[C@](C)(CC)OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163345912 1383028765 /nfs/dbraw/zinc/02/87/65/1383028765.db2.gz AXJQETVLEVJLRN-SFHVURJKSA-N 0 0 344.415 3.263 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163355148 1383029081 /nfs/dbraw/zinc/02/90/81/1383029081.db2.gz QBABKMOBMZGHGP-LLVKDONJSA-N 0 0 334.322 3.368 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2COc3cccc(C)c3C2)c1 ZINC001163768903 1383120369 /nfs/dbraw/zinc/12/03/69/1383120369.db2.gz FTDRXVGAEJASRN-ZDUSSCGKSA-N 0 0 342.351 3.105 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)O[C@H]1C ZINC001163906608 1383134701 /nfs/dbraw/zinc/13/47/01/1383134701.db2.gz MGDVMCIFSWPJRV-YVZVNANGSA-N 0 0 328.752 3.013 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CCC2(CCC2)O1 ZINC001163983478 1383143177 /nfs/dbraw/zinc/14/31/77/1383143177.db2.gz CLIVRRJVZIFDFG-LBPRGKRZSA-N 0 0 331.347 3.218 10 5 EGBERN Cc1cc(CO)cc(C)c1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164182285 1383163800 /nfs/dbraw/zinc/16/38/00/1383163800.db2.gz QPLGLWYJTCEQSL-UHFFFAOYSA-N 0 0 331.328 3.224 10 5 EGBERN CC[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001164185301 1383164038 /nfs/dbraw/zinc/16/40/38/1383164038.db2.gz AYPWFXJBCXEAOF-JTQLQIEISA-N 0 0 339.348 3.283 10 5 EGBERN Cc1ccc2nc(CNC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cn2c1 ZINC001297681486 1383211834 /nfs/dbraw/zinc/21/18/34/1383211834.db2.gz OCZFPKSQNBYLBL-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN Cc1ccc(CSc2n[nH]c(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC001165562142 1383311179 /nfs/dbraw/zinc/31/11/79/1383311179.db2.gz IUHSJOIZRWDHGZ-UHFFFAOYSA-N 0 0 327.369 3.376 10 5 EGBERN CN(C)C(=O)OCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC001165764259 1383341685 /nfs/dbraw/zinc/34/16/85/1383341685.db2.gz OOPOARWFIKXETE-UHFFFAOYSA-N 0 0 330.340 3.220 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC001165777209 1383344168 /nfs/dbraw/zinc/34/41/68/1383344168.db2.gz BQVYZDNDNQEPER-AWEZNQCLSA-N 0 0 330.315 3.086 10 5 EGBERN O=[N+]([O-])c1cn(Cc2csc(Cl)n2)nc1-c1ccc(F)cn1 ZINC001166239495 1383406356 /nfs/dbraw/zinc/40/63/56/1383406356.db2.gz CBFNDTZHHFYCKX-UHFFFAOYSA-N 0 0 339.739 3.151 10 5 EGBERN Cc1nn(Cc2cc(Br)cc(F)c2F)cc1[N+](=O)[O-] ZINC001166286913 1383409246 /nfs/dbraw/zinc/40/92/46/1383409246.db2.gz JAGLHJNHEIKEGG-UHFFFAOYSA-N 0 0 332.104 3.189 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc(OC)c1C ZINC001298637088 1383418696 /nfs/dbraw/zinc/41/86/96/1383418696.db2.gz LCBSHSAOZKNBDU-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN CCc1nc2c(nccc2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC001298809021 1383432583 /nfs/dbraw/zinc/43/25/83/1383432583.db2.gz HWMUVPAFMRCADD-UHFFFAOYSA-N 0 0 339.355 3.298 10 5 EGBERN CC(=O)c1c(F)cccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001166804743 1383479816 /nfs/dbraw/zinc/47/98/16/1383479816.db2.gz CSQJXUHCDVJFET-UHFFFAOYSA-N 0 0 347.298 3.382 10 5 EGBERN O=C(N[C@H]1COCc2ccccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001299547285 1383564094 /nfs/dbraw/zinc/56/40/94/1383564094.db2.gz HZRCVVSBKOEVJJ-HNNXBMFYSA-N 0 0 337.335 3.077 10 5 EGBERN O=C(c1cc2c[nH]ccc-2n1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398150 1383622663 /nfs/dbraw/zinc/62/26/63/1383622663.db2.gz XFDLNZLMYOEEOI-UHFFFAOYSA-N 0 0 336.351 3.454 10 5 EGBERN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001300098046 1383644441 /nfs/dbraw/zinc/64/44/41/1383644441.db2.gz STYWGXXDJIFVBS-AWEZNQCLSA-N 0 0 339.823 3.051 10 5 EGBERN Cc1ccccc1C1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC001300233647 1383654617 /nfs/dbraw/zinc/65/46/17/1383654617.db2.gz YBWBWCUDAAZMJB-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1C(F)(F)F ZINC001300417828 1383663790 /nfs/dbraw/zinc/66/37/90/1383663790.db2.gz VZQGPJZSIFBZNZ-UHFFFAOYSA-N 0 0 343.261 3.340 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC(=O)CC1CCCCC1 ZINC001302930151 1383774157 /nfs/dbraw/zinc/77/41/57/1383774157.db2.gz SWCMQMCNZAYIMC-FLIBITNWSA-N 0 0 330.384 3.264 10 5 EGBERN C[C@@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCOc2ccccc21 ZINC001304003325 1383820121 /nfs/dbraw/zinc/82/01/21/1383820121.db2.gz HWTAXKGTQYRSJO-QGZVFWFLSA-N 0 0 330.315 3.162 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC=O)c1 ZINC001304102085 1383830477 /nfs/dbraw/zinc/83/04/77/1383830477.db2.gz PDTQHSTYXRZPOQ-LLVKDONJSA-N 0 0 345.380 3.282 10 5 EGBERN Cc1cc(C)cc(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c1 ZINC001306914705 1383919725 /nfs/dbraw/zinc/91/97/25/1383919725.db2.gz MMTXHXQUQNRTHN-UHFFFAOYSA-N 0 0 349.412 3.206 10 5 EGBERN CN(CCNc1ncc([N+](=O)[O-])c2ccccc21)C(=O)OC(C)(C)C ZINC001306953124 1383925596 /nfs/dbraw/zinc/92/55/96/1383925596.db2.gz MERMWUMLEMSBTK-UHFFFAOYSA-N 0 0 346.387 3.422 10 5 EGBERN COCCN1CC[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306967498 1383927093 /nfs/dbraw/zinc/92/70/93/1383927093.db2.gz BVLGREOSDGOGHS-SECBINFHSA-N 0 0 334.203 3.034 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC3(C2)OCCO3)nc1-c1ccccc1 ZINC001307080166 1383937694 /nfs/dbraw/zinc/93/76/94/1383937694.db2.gz JDMLYGHKTWEORQ-CQSZACIVSA-N 0 0 341.367 3.364 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCc3[nH]c4ccc(F)cc4c3C2)c(F)c1 ZINC001307094363 1383939773 /nfs/dbraw/zinc/93/97/73/1383939773.db2.gz PFHXWPFXEQKKBQ-UHFFFAOYSA-N 0 0 330.294 3.312 10 5 EGBERN Cc1cc(SCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307161385 1383948363 /nfs/dbraw/zinc/94/83/63/1383948363.db2.gz VFPBYXJTPSIXQC-UHFFFAOYSA-N 0 0 341.396 3.386 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC001307174334 1383950264 /nfs/dbraw/zinc/95/02/64/1383950264.db2.gz HOKIMHSUHJSERX-CYBMUJFWSA-N 0 0 330.237 3.297 10 5 EGBERN COC(=O)Cc1ccc(Oc2cnc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC001307172559 1383950562 /nfs/dbraw/zinc/95/05/62/1383950562.db2.gz PSMBRFCVIONBPM-UHFFFAOYSA-N 0 0 340.694 3.290 10 5 EGBERN CC(=O)c1ccc(N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001307188848 1383953520 /nfs/dbraw/zinc/95/35/20/1383953520.db2.gz RHJXYYVRMUIXJL-BETUJISGSA-N 0 0 334.372 3.330 10 5 EGBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001307204144 1383956266 /nfs/dbraw/zinc/95/62/66/1383956266.db2.gz OIJYMUAAROOEDS-KZULUSFZSA-N 0 0 346.383 3.454 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313383 1384339154 /nfs/dbraw/zinc/33/91/54/1384339154.db2.gz ONUFAXHSANKTPP-VCSATFKPSA-N 0 0 335.404 3.157 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001312347371 1384341569 /nfs/dbraw/zinc/34/15/69/1384341569.db2.gz FDKQEOOZFDRPFI-JKSUJKDBSA-N 0 0 349.431 3.030 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001313281513 1384406931 /nfs/dbraw/zinc/40/69/31/1384406931.db2.gz SAGKGMVUZAODDO-MLGOLLRUSA-N 0 0 343.387 3.316 10 5 EGBERN CC1(C)CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001313381380 1384414825 /nfs/dbraw/zinc/41/48/25/1384414825.db2.gz DCVKULXVLLFSQF-MRXNPFEDSA-N 0 0 347.415 3.010 10 5 EGBERN CN(CCNC(=O)C1CCCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317440837 1385142545 /nfs/dbraw/zinc/14/25/45/1385142545.db2.gz RHJTVQPVZVEOAT-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CC1(C)CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001175332191 1385255616 /nfs/dbraw/zinc/25/56/16/1385255616.db2.gz XXVNRJJTXWAOQU-KGLIPLIRSA-N 0 0 342.399 3.410 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3nc[nH]c(=O)c32)c1C ZINC001177490271 1385976716 /nfs/dbraw/zinc/97/67/16/1385976716.db2.gz UNNGAKSZGIQNOJ-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN C[C@@H]1CCC[C@H]1CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177680685 1386021553 /nfs/dbraw/zinc/02/15/53/1386021553.db2.gz BMPCJALEZDPAEN-OLZOCXBDSA-N 0 0 344.415 3.346 10 5 EGBERN CC(C)c1nc2ccccn2c1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001178752829 1386294792 /nfs/dbraw/zinc/29/47/92/1386294792.db2.gz ALXUMCWRQNDXDU-UHFFFAOYSA-N 0 0 339.355 3.200 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(OCC2CC2)nc1 ZINC001321473821 1386911883 /nfs/dbraw/zinc/91/18/83/1386911883.db2.gz IJLUVOQWIAALLK-UHFFFAOYSA-N 0 0 334.353 3.197 10 5 EGBERN CCc1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001329648262 1389197167 /nfs/dbraw/zinc/19/71/67/1389197167.db2.gz PWUYOCICKBLCTM-UHFFFAOYSA-N 0 0 325.368 3.383 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2COC(C)(C)C2)cc1SC ZINC001330172593 1389325837 /nfs/dbraw/zinc/32/58/37/1389325837.db2.gz KYBCUZLCYOVDSU-SECBINFHSA-N 0 0 341.385 3.050 10 5 EGBERN CC(C)(C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001331135312 1389634935 /nfs/dbraw/zinc/63/49/35/1389634935.db2.gz ACXSOQIGJUWSGR-ZSPDNNCOSA-N 0 0 342.317 3.171 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(C)C ZINC001332298444 1390079399 /nfs/dbraw/zinc/07/93/99/1390079399.db2.gz ZIBZCYZYRCZKGC-KRWDZBQOSA-N 0 0 327.384 3.295 10 5 EGBERN CCC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CCC1 ZINC001340051946 1390216167 /nfs/dbraw/zinc/21/61/67/1390216167.db2.gz WQCKTHNCMKPADZ-UHFFFAOYSA-N 0 0 342.193 3.002 10 5 EGBERN O=C(NCC[C@H]1CCC2(CCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340163267 1390239745 /nfs/dbraw/zinc/23/97/45/1390239745.db2.gz NXJZVHLFBHEVLI-MRXNPFEDSA-N 0 0 345.399 3.112 10 5 EGBERN CC(C)(C)CC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333290712 1390277049 /nfs/dbraw/zinc/27/70/49/1390277049.db2.gz IUCCLVOAONOBAG-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(-c2cccc(C)c2)n1 ZINC001340426493 1390286992 /nfs/dbraw/zinc/28/69/92/1390286992.db2.gz COOGOOPAGURTOC-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])s1)N1Cc2ccccc2C1 ZINC001343950931 1390746149 /nfs/dbraw/zinc/74/61/49/1390746149.db2.gz LFXJGLWHJOUDHP-UHFFFAOYSA-N 0 0 331.397 3.391 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CCCc2nccnc21 ZINC001345130109 1390839824 /nfs/dbraw/zinc/83/98/24/1390839824.db2.gz VSKSQBYLWHMLMQ-AWEZNQCLSA-N 0 0 345.380 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001345289858 1390853552 /nfs/dbraw/zinc/85/35/52/1390853552.db2.gz ADHMQQHHXNIWKO-UKRRQHHQSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1c(CC(=O)OCC23CCC(C)(CC2)OC3)cccc1[N+](=O)[O-] ZINC001345689879 1390876639 /nfs/dbraw/zinc/87/66/39/1390876639.db2.gz QSALGNZVMGPPNV-UHFFFAOYSA-N 0 0 333.384 3.338 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001346833395 1390981317 /nfs/dbraw/zinc/98/13/17/1390981317.db2.gz CGIRFWGMHMJEOS-FXAINCCUSA-N 0 0 329.274 3.459 10 5 EGBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001347488973 1391082967 /nfs/dbraw/zinc/08/29/67/1391082967.db2.gz XGOYUJDRBZYJIO-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)n1 ZINC001347829336 1391131484 /nfs/dbraw/zinc/13/14/84/1391131484.db2.gz BXUHSLNEMZQXRN-QGZVFWFLSA-N 0 0 325.368 3.448 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001347890728 1391141852 /nfs/dbraw/zinc/14/18/52/1391141852.db2.gz PPABYOCFCLLTHF-CVEARBPZSA-N 0 0 333.388 3.469 10 5 EGBERN C[C@@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001348036578 1391164018 /nfs/dbraw/zinc/16/40/18/1391164018.db2.gz TWDCHFFBAYWXHS-PBHICJAKSA-N 0 0 342.395 3.328 10 5 EGBERN C[C@H](C(=O)N[C@H]1CCOCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348112656 1391174774 /nfs/dbraw/zinc/17/47/74/1391174774.db2.gz COBWMLLPSRMKRM-BBRMVZONSA-N 0 0 332.400 3.164 10 5 EGBERN C[C@H](c1nnc(N2CCC[C@@H](C3CCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001348154968 1391180550 /nfs/dbraw/zinc/18/05/50/1391180550.db2.gz UJTOLOAFXDIMMW-IUODEOHRSA-N 0 0 333.436 3.042 10 5 EGBERN CCC(=O)c1ccc(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001348231917 1391188971 /nfs/dbraw/zinc/18/89/71/1391188971.db2.gz GDMFKARMHOQPJK-UHFFFAOYSA-N 0 0 331.299 3.475 10 5 EGBERN Cc1cc(NC(=O)C[C@@H](n2ccnc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001348317690 1391205448 /nfs/dbraw/zinc/20/54/48/1391205448.db2.gz MWGUMNHLHYBKBG-GFCCVEGCSA-N 0 0 342.277 3.232 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001348406723 1391214881 /nfs/dbraw/zinc/21/48/81/1391214881.db2.gz ZVVIQBTXGYZQGV-SJORKVTESA-N 0 0 339.351 3.295 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001348406721 1391214889 /nfs/dbraw/zinc/21/48/89/1391214889.db2.gz ZVVIQBTXGYZQGV-IRXDYDNUSA-N 0 0 339.351 3.295 10 5 EGBERN Cn1nc(Cl)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl ZINC001348439257 1391220057 /nfs/dbraw/zinc/22/00/57/1391220057.db2.gz SKNXIVGQMVIPJD-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001348645032 1391247654 /nfs/dbraw/zinc/24/76/54/1391247654.db2.gz VJUOWOCGBDPISN-CQSZACIVSA-N 0 0 338.791 3.327 10 5 EGBERN Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349432365 1391330077 /nfs/dbraw/zinc/33/00/77/1391330077.db2.gz CEVQVCJGLHYUIX-UHFFFAOYSA-N 0 0 348.362 3.198 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349446232 1391331715 /nfs/dbraw/zinc/33/17/15/1391331715.db2.gz FOHIYXNHAWNCQS-IJEWVQPXSA-N 0 0 339.351 3.109 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001349804964 1391369113 /nfs/dbraw/zinc/36/91/13/1391369113.db2.gz DABAMTVKDAMVMX-LLVKDONJSA-N 0 0 338.360 3.085 10 5 EGBERN O=C(NC1([C@H]2CCCO2)CCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001349822457 1391371893 /nfs/dbraw/zinc/37/18/93/1391371893.db2.gz FODLKFKSGYAZLB-GFCCVEGCSA-N 0 0 342.754 3.219 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001349897414 1391382688 /nfs/dbraw/zinc/38/26/88/1391382688.db2.gz CCZVPBDPAJCCOL-UHFFFAOYSA-N 0 0 327.340 3.043 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccncc2s1 ZINC001349904131 1391383358 /nfs/dbraw/zinc/38/33/58/1391383358.db2.gz HARXISWAUWBXCV-UHFFFAOYSA-N 0 0 327.365 3.477 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1nsc2ccccc21 ZINC001350021561 1391399050 /nfs/dbraw/zinc/39/90/50/1391399050.db2.gz YMAGULZHFHLBBZ-UHFFFAOYSA-N 0 0 330.321 3.432 10 5 EGBERN C[C@@H]1CC[C@H](O)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001350246504 1391435979 /nfs/dbraw/zinc/43/59/79/1391435979.db2.gz RVIWPYKGFGZRDR-NEPJUHHUSA-N 0 0 329.356 3.125 10 5 EGBERN C/C(=C\C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001350299318 1391443264 /nfs/dbraw/zinc/44/32/64/1391443264.db2.gz PCNUFTFNJRULQV-IEZBTEQYSA-N 0 0 343.408 3.471 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001350406830 1391459345 /nfs/dbraw/zinc/45/93/45/1391459345.db2.gz BJLGWVVDWSQLLP-SJORKVTESA-N 0 0 326.352 3.324 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCO[C@@H]3CC3(F)F)c2c1 ZINC001350500124 1391471762 /nfs/dbraw/zinc/47/17/62/1391471762.db2.gz AKWMUXFPHSBXCD-SNVBAGLBSA-N 0 0 344.705 3.028 10 5 EGBERN O=[N+]([O-])Cc1nnc(N2CCC[C@@H]2CC2CCCC2)n1CC1CC1 ZINC001350507736 1391472443 /nfs/dbraw/zinc/47/24/43/1391472443.db2.gz DXOFPSJVOBZNDW-OAHLLOKOSA-N 0 0 333.436 3.014 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1noc2c1CCc1ccccc1-2 ZINC001350627936 1391493969 /nfs/dbraw/zinc/49/39/69/1391493969.db2.gz DCWLKYQEIWZBCL-UHFFFAOYSA-N 0 0 349.346 3.278 10 5 EGBERN O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001350887578 1391550973 /nfs/dbraw/zinc/55/09/73/1391550973.db2.gz MKMNKYLXNMULMP-BYCMXARLSA-N 0 0 336.338 3.161 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001351215068 1391611777 /nfs/dbraw/zinc/61/17/77/1391611777.db2.gz AWOREMOIFAIPHT-ADEWGFFLSA-N 0 0 346.280 3.237 10 5 EGBERN COc1ccc(NC(=O)c2cccc3cc(=O)[nH]cc32)c([N+](=O)[O-])c1 ZINC001351380045 1391634009 /nfs/dbraw/zinc/63/40/09/1391634009.db2.gz QVGFBLIRNITVDS-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nscc1Br ZINC001351451649 1391640398 /nfs/dbraw/zinc/64/03/98/1391640398.db2.gz UNSKFRGNMRIFDO-UHFFFAOYSA-N 0 0 343.158 3.171 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001351482293 1391643680 /nfs/dbraw/zinc/64/36/80/1391643680.db2.gz MYMSMGNGDVMGCE-QGZVFWFLSA-N 0 0 333.432 3.205 10 5 EGBERN O=C(C[C@@H]1Cc2ccccc2O1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001351888270 1391710780 /nfs/dbraw/zinc/71/07/80/1391710780.db2.gz WMAHTKZMJFTQSD-JTQLQIEISA-N 0 0 334.278 3.205 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001352659530 1391829588 /nfs/dbraw/zinc/82/95/88/1391829588.db2.gz GRPZIEXITOIPRI-LSDHHAIUSA-N 0 0 327.296 3.245 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nccc(-c2ccccc2)n1 ZINC001352810266 1391852572 /nfs/dbraw/zinc/85/25/72/1391852572.db2.gz IVSIMFIHVOFGOE-UHFFFAOYSA-N 0 0 334.335 3.233 10 5 EGBERN CO[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353339241 1391992080 /nfs/dbraw/zinc/99/20/80/1391992080.db2.gz VJZSEQBRWKRSDQ-HNNXBMFYSA-N 0 0 336.294 3.069 10 5 EGBERN CCOCCOCCCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001353552694 1392037722 /nfs/dbraw/zinc/03/77/22/1392037722.db2.gz IPROIHIVTAYDQT-UHFFFAOYSA-N 0 0 345.779 3.295 10 5 EGBERN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001353729186 1392077822 /nfs/dbraw/zinc/07/78/22/1392077822.db2.gz MOBVCHDGTBNWTG-ZIAGYGMSSA-N 0 0 342.399 3.082 10 5 EGBERN O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353900758 1392106826 /nfs/dbraw/zinc/10/68/26/1392106826.db2.gz JMOCYQABCJVKHU-OAHLLOKOSA-N 0 0 328.755 3.477 10 5 EGBERN CC(=O)Nc1cccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001353969702 1392110411 /nfs/dbraw/zinc/11/04/11/1392110411.db2.gz PMYSFJUOHRKMBA-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN COC(=O)c1cc(NC(=O)c2coc(C(F)F)c2)cc([N+](=O)[O-])c1 ZINC001353988146 1392111666 /nfs/dbraw/zinc/11/16/66/1392111666.db2.gz GDAOZRQSPLKNTF-UHFFFAOYSA-N 0 0 340.238 3.164 10 5 EGBERN O=C(Cc1nsc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC001354128793 1392121733 /nfs/dbraw/zinc/12/17/33/1392121733.db2.gz FXPVEQJHNJAHGI-UHFFFAOYSA-N 0 0 339.376 3.336 10 5 EGBERN COc1ccc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC001354477660 1392146754 /nfs/dbraw/zinc/14/67/54/1392146754.db2.gz IWWJFCNHSOTKCV-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001354524975 1392150508 /nfs/dbraw/zinc/15/05/08/1392150508.db2.gz IQCNADVTYFJHLF-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN COCc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC001354623749 1392157044 /nfs/dbraw/zinc/15/70/44/1392157044.db2.gz JQXGSBOEELMBIR-NSHDSACASA-N 0 0 332.331 3.371 10 5 EGBERN COc1ccc(NC(=O)c2cccc3scnc32)c([N+](=O)[O-])c1 ZINC001355055402 1392189873 /nfs/dbraw/zinc/18/98/73/1392189873.db2.gz IFVNGQBAJVCDBD-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN C[C@H](CCO)C1(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001479297847 1392207453 /nfs/dbraw/zinc/20/74/53/1392207453.db2.gz WETDYDKOFLCBMI-ZIAGYGMSSA-N 0 0 349.431 3.144 10 5 EGBERN CCCCC1(C(=O)N(C)C2CN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001699719378 1413132358 /nfs/dbraw/zinc/13/23/58/1413132358.db2.gz DMBGYGXIXMHYMA-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN CN(CCN(C)C(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001715516785 1420202649 /nfs/dbraw/zinc/20/26/49/1420202649.db2.gz XTQWVDIOKMRMTR-KHPPLWFESA-N 0 0 333.432 3.087 10 5 EGBERN CC(C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1[C@@H]1C[C@H]1C ZINC001723168540 1424314068 /nfs/dbraw/zinc/31/40/68/1424314068.db2.gz CWFNBHOJEZSDEA-MLGOLLRUSA-N 0 0 341.415 3.453 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CC=CCC1 ZINC001726356923 1427048614 /nfs/dbraw/zinc/04/86/14/1427048614.db2.gz HEKBCERPTJTLEE-OAHLLOKOSA-N 0 0 341.415 3.487 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCSC1 ZINC001728112049 1427138103 /nfs/dbraw/zinc/13/81/03/1427138103.db2.gz DBPQODORWXPHDX-AWEZNQCLSA-N 0 0 347.444 3.205 10 5 EGBERN CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001731034900 1427187510 /nfs/dbraw/zinc/18/75/10/1427187510.db2.gz OUJIMPXJWRKLBQ-NSHDSACASA-N 0 0 347.444 3.203 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1(C)CCC1 ZINC001742753710 1439522691 /nfs/dbraw/zinc/52/26/91/1439522691.db2.gz BECMKHZXUWNXPP-UHFFFAOYSA-N 0 0 329.404 3.321 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1[C@H]1C[C@H]1C ZINC001751887211 1440125594 /nfs/dbraw/zinc/12/55/94/1440125594.db2.gz BZIYKEFJLUCHAC-WBMJQRKESA-N 0 0 329.404 3.491 10 5 EGBERN CCCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC ZINC001765894373 1441398783 /nfs/dbraw/zinc/39/87/83/1441398783.db2.gz YRVVQRHCAJHZJU-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000050312526 214053206 /nfs/dbraw/zinc/05/32/06/214053206.db2.gz CHEIUDVDIMQELX-HZMBPMFUSA-N 0 0 347.396 3.016 10 5 EGBERN COC(=O)c1sc(Oc2ccc(F)cc2[N+](=O)[O-])nc1Cl ZINC000052064973 214115149 /nfs/dbraw/zinc/11/51/49/214115149.db2.gz CRHWMIMXDOPZKQ-UHFFFAOYSA-N 0 0 332.696 3.423 10 5 EGBERN Cc1cc(Cl)c(S(=O)(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000368431734 168355221 /nfs/dbraw/zinc/35/52/21/168355221.db2.gz GHZXNEXESFGOGN-UHFFFAOYSA-N 0 0 344.820 3.264 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 ZINC000189834942 282167350 /nfs/dbraw/zinc/16/73/50/282167350.db2.gz ONLFIBCETZSRTM-SECBINFHSA-N 0 0 347.758 3.379 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000173611476 282167672 /nfs/dbraw/zinc/16/76/72/282167672.db2.gz ZXLJEGCVPDFJCD-VIFPVBQESA-N 0 0 347.758 3.379 10 5 EGBERN CC[C@H](NC(=O)NCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000175666721 529515907 /nfs/dbraw/zinc/51/59/07/529515907.db2.gz CUYFFJGCNJGTSF-ZDUSSCGKSA-N 0 0 334.401 3.310 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)Oc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177805275 529538085 /nfs/dbraw/zinc/53/80/85/529538085.db2.gz VYVSIBNIQLMXDM-WBMJQRKESA-N 0 0 329.356 3.025 10 5 EGBERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000174999416 231363313 /nfs/dbraw/zinc/36/33/13/231363313.db2.gz WJDGPPOLMCHLJB-UHFFFAOYSA-N 0 0 342.355 3.055 10 5 EGBERN CC[C@@H](NC(=O)C1CCC(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000179519349 529587659 /nfs/dbraw/zinc/58/76/59/529587659.db2.gz ZGPAICNZRXEDCQ-SEEARECTSA-N 0 0 348.399 3.142 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000176146648 231582906 /nfs/dbraw/zinc/58/29/06/231582906.db2.gz QYFJDBYLTRKWLM-VXGBXAGGSA-N 0 0 336.413 3.329 10 5 EGBERN CCc1nc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3C)CCCC2)no1 ZINC000175135556 529730916 /nfs/dbraw/zinc/73/09/16/529730916.db2.gz HOQJEIMLOQRCCK-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN CCc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCCC2)no1 ZINC000175146694 529731134 /nfs/dbraw/zinc/73/11/34/529731134.db2.gz VQSSIYXWBLWUKT-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN COc1ccc(OCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC000004404831 210187249 /nfs/dbraw/zinc/18/72/49/210187249.db2.gz CSKLXJLAOHWCKE-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN CCN(CC)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000101757103 219161669 /nfs/dbraw/zinc/16/16/69/219161669.db2.gz PABFBAFIRFRWJB-OKILXGFUSA-N 0 0 345.399 3.121 10 5 EGBERN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1ncc(-c2cccs2)o1 ZINC000067429655 215144320 /nfs/dbraw/zinc/14/43/20/215144320.db2.gz YUIADWYBNWRKDV-UHFFFAOYSA-N 0 0 343.320 3.268 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000068224712 215291761 /nfs/dbraw/zinc/29/17/61/215291761.db2.gz BPISERGRFLJHQM-HNNXBMFYSA-N 0 0 330.388 3.003 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000152067575 223905167 /nfs/dbraw/zinc/90/51/67/223905167.db2.gz NZHVKIMYAIUIKH-HONMWMINSA-N 0 0 336.413 3.042 10 5 EGBERN Cc1ccc(Nc2ncnc(-n3nnc4ccccc43)c2[N+](=O)[O-])cc1 ZINC000040649040 213364300 /nfs/dbraw/zinc/36/43/00/213364300.db2.gz WKHFSGFDMLAXLD-UHFFFAOYSA-N 0 0 347.338 3.171 10 5 EGBERN Cc1ccccc1Nc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-] ZINC000040648111 213364071 /nfs/dbraw/zinc/36/40/71/213364071.db2.gz BVHLNKCHUQWSBS-UHFFFAOYSA-N 0 0 347.338 3.171 10 5 EGBERN Cc1cccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1C ZINC000040620732 213359801 /nfs/dbraw/zinc/35/98/01/213359801.db2.gz DHGZCJXXVQEANS-UHFFFAOYSA-N 0 0 330.392 3.460 10 5 EGBERN Cc1nc([N-]c2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])sc1C ZINC000040586402 213355458 /nfs/dbraw/zinc/35/54/58/213355458.db2.gz NBQQOTVPBCSZSK-UHFFFAOYSA-N 0 0 343.372 3.340 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371862183 168665791 /nfs/dbraw/zinc/66/57/91/168665791.db2.gz BGPFXMWMLJBWBB-CQSZACIVSA-N 0 0 338.429 3.386 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC000372304593 168723545 /nfs/dbraw/zinc/72/35/45/168723545.db2.gz GYZRGWFUFXSMJD-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN COC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184306987 235362238 /nfs/dbraw/zinc/36/22/38/235362238.db2.gz FUVKMSLDODAVRM-OAHLLOKOSA-N 0 0 334.347 3.220 10 5 EGBERN O=C(NCCC[C@@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184344759 235372575 /nfs/dbraw/zinc/37/25/75/235372575.db2.gz RYLMLAFVUBFBFU-ZDUSSCGKSA-N 0 0 331.372 3.155 10 5 EGBERN Cc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000036016187 213056049 /nfs/dbraw/zinc/05/60/49/213056049.db2.gz JQENXBXELIHSQJ-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC(C)(C)C(=O)NCCCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000071858635 215888679 /nfs/dbraw/zinc/88/86/79/215888679.db2.gz DTLJZIYJBUXWSO-UHFFFAOYSA-N 0 0 341.795 3.129 10 5 EGBERN COc1ccc(-c2n[nH]c(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000072237712 216076149 /nfs/dbraw/zinc/07/61/49/216076149.db2.gz PUYAXFNKFIPEHN-UHFFFAOYSA-N 0 0 326.312 3.064 10 5 EGBERN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 ZINC000026709954 212531767 /nfs/dbraw/zinc/53/17/67/212531767.db2.gz NURVYVXNXLWQOE-MRVPVSSYSA-N 0 0 325.166 3.264 10 5 EGBERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191611213 239210535 /nfs/dbraw/zinc/21/05/35/239210535.db2.gz FNGOHIVERMXSBQ-ZWNOBZJWSA-N 0 0 326.780 3.022 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075182486 216595755 /nfs/dbraw/zinc/59/57/55/216595755.db2.gz DXAMJRKBFNUGRS-YPMHNXCESA-N 0 0 349.387 3.227 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075182483 216596152 /nfs/dbraw/zinc/59/61/52/216596152.db2.gz DXAMJRKBFNUGRS-WCQYABFASA-N 0 0 349.387 3.227 10 5 EGBERN Cn1c(CNc2ccc([N+](=O)[O-])c3cccnc23)nnc1C1CCC1 ZINC000132847385 223366990 /nfs/dbraw/zinc/36/69/90/223366990.db2.gz SRZPHIKGGGBZFV-UHFFFAOYSA-N 0 0 338.371 3.151 10 5 EGBERN O=C(N[C@H]1CCCc2sc(Cl)cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000344636097 284190006 /nfs/dbraw/zinc/19/00/06/284190006.db2.gz VQEQDWFLPSSCCZ-QMMMGPOBSA-N 0 0 325.777 3.445 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000361257116 296227376 /nfs/dbraw/zinc/22/73/76/296227376.db2.gz HDGPVXKXELWKEV-GOSISDBHSA-N 0 0 348.362 3.037 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC2(CCOCC2)C1 ZINC000266136063 248122161 /nfs/dbraw/zinc/12/21/61/248122161.db2.gz HCQUMLZOGAAAGV-UHFFFAOYSA-N 0 0 343.383 3.109 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2nccs2)CC1 ZINC000377513591 169034487 /nfs/dbraw/zinc/03/44/87/169034487.db2.gz ZGTQVNUPGNEUAG-UHFFFAOYSA-N 0 0 335.360 3.210 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090613847 217944877 /nfs/dbraw/zinc/94/48/77/217944877.db2.gz AAJVYJVWIAEQAC-WBMJQRKESA-N 0 0 335.404 3.160 10 5 EGBERN COc1ccc(CNc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000095429142 218371644 /nfs/dbraw/zinc/37/16/44/218371644.db2.gz ALVVGBKAMBIFPM-HSZRJFAPSA-N 0 0 334.397 3.094 10 5 EGBERN C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000008360178 210942443 /nfs/dbraw/zinc/94/24/43/210942443.db2.gz GGUZLTUIDLQTRS-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000267401848 251025513 /nfs/dbraw/zinc/02/55/13/251025513.db2.gz NKNJSRVPZHORII-IAGOWNOFSA-N 0 0 343.383 3.079 10 5 EGBERN Cc1nn(C)c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000267722611 251286432 /nfs/dbraw/zinc/28/64/32/251286432.db2.gz KOSCLYLSYBLBHT-AWEZNQCLSA-N 0 0 346.362 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000268417393 251897996 /nfs/dbraw/zinc/89/79/96/251897996.db2.gz KNVHMFRRWAJXDJ-GUYCJALGSA-N 0 0 328.368 3.145 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000153562442 224122708 /nfs/dbraw/zinc/12/27/08/224122708.db2.gz KCPFCKJNFFFYLR-SNVBAGLBSA-N 0 0 348.378 3.485 10 5 EGBERN COCC[C@@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000364117369 285145306 /nfs/dbraw/zinc/14/53/06/285145306.db2.gz DZTMTMAPWZHUDW-ZDUSSCGKSA-N 0 0 347.415 3.123 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000119035119 221227871 /nfs/dbraw/zinc/22/78/71/221227871.db2.gz HWWCXUYWVNQCQL-IBGZPJMESA-N 0 0 342.395 3.485 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000129284223 533255294 /nfs/dbraw/zinc/25/52/94/533255294.db2.gz KUJBKIOBNIFDCU-UHFFFAOYSA-N 0 0 326.352 3.125 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000182781371 533405252 /nfs/dbraw/zinc/40/52/52/533405252.db2.gz UQBREQLXHNSUJI-OUKQBFOZSA-N 0 0 340.383 3.127 10 5 EGBERN CCCCN(C)c1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000040612028 132404294 /nfs/dbraw/zinc/40/42/94/132404294.db2.gz IUAAUUPGZQOYTG-UHFFFAOYSA-N 0 0 341.415 3.184 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182342749 140983594 /nfs/dbraw/zinc/98/35/94/140983594.db2.gz GMNNVNPSMMYJDS-BDJLRTHQSA-N 0 0 344.342 3.477 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263490216 141051901 /nfs/dbraw/zinc/05/19/01/141051901.db2.gz IHRODJKEPJKARS-LNSITVRQSA-N 0 0 338.791 3.466 10 5 EGBERN CC(C)[C@H](C)N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000341186106 141134374 /nfs/dbraw/zinc/13/43/74/141134374.db2.gz LCNXJYLNLSBESY-JTQLQIEISA-N 0 0 326.343 3.451 10 5 EGBERN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000347916781 141216471 /nfs/dbraw/zinc/21/64/71/141216471.db2.gz KHAQTAINQOIHSK-NSHDSACASA-N 0 0 334.401 3.039 10 5 EGBERN O=C(c1cccc2nccnc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347981441 141228442 /nfs/dbraw/zinc/22/84/42/141228442.db2.gz DYTLVGJSMAJNLX-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN C[C@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccccc1[N+](=O)[O-] ZINC000356332784 141342353 /nfs/dbraw/zinc/34/23/53/141342353.db2.gz PHNKGPPRWFMIDD-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN C[C@@H](CC(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356832329 141351029 /nfs/dbraw/zinc/35/10/29/141351029.db2.gz RHSHNVXBAGUZOD-STQMWFEESA-N 0 0 334.420 3.075 10 5 EGBERN C[C@H](NC(=O)NCc1ccc2cc[nH]c2n1)c1ccccc1[N+](=O)[O-] ZINC000357938563 141362284 /nfs/dbraw/zinc/36/22/84/141362284.db2.gz RUOXLKUDVFSGNQ-NSHDSACASA-N 0 0 339.355 3.032 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000337047975 292086214 /nfs/dbraw/zinc/08/62/14/292086214.db2.gz NJTMYTURZHHOAR-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000171647259 144008708 /nfs/dbraw/zinc/00/87/08/144008708.db2.gz GQCRDOSIGFCLRK-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172443106 144021228 /nfs/dbraw/zinc/02/12/28/144021228.db2.gz HLEFTHNGCXONJQ-ZFWWWQNUSA-N 0 0 347.758 3.028 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000172786686 144028423 /nfs/dbraw/zinc/02/84/23/144028423.db2.gz FEVNRJFZOZPEOK-ZFWWWQNUSA-N 0 0 332.306 3.293 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173010258 144033261 /nfs/dbraw/zinc/03/32/61/144033261.db2.gz WDAQIPHYQPQMQZ-KBXCAEBGSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cccn1C ZINC000173550889 144044464 /nfs/dbraw/zinc/04/44/64/144044464.db2.gz BWTZWFNMJJIWNI-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184642807 144096680 /nfs/dbraw/zinc/09/66/80/144096680.db2.gz UNPWDXXQSCLEBW-UHFFFAOYSA-N 0 0 347.400 3.345 10 5 EGBERN Cn1c(COc2c(F)cccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000185031944 144103022 /nfs/dbraw/zinc/10/30/22/144103022.db2.gz NHNKDCBGFBBOBK-UHFFFAOYSA-N 0 0 328.303 3.108 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185304140 144110595 /nfs/dbraw/zinc/11/05/95/144110595.db2.gz XLVJDBGWDZHERV-CQSZACIVSA-N 0 0 348.742 3.316 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1[N+](=O)[O-] ZINC000187095655 144152126 /nfs/dbraw/zinc/15/21/26/144152126.db2.gz DMUPUAQGPKBULT-CYBMUJFWSA-N 0 0 347.396 3.346 10 5 EGBERN Cc1cc(C)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)CC2 ZINC000187762415 144164655 /nfs/dbraw/zinc/16/46/55/144164655.db2.gz DUNMNTSVWZDNBS-UHFFFAOYSA-N 0 0 325.368 3.114 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000187855644 144164871 /nfs/dbraw/zinc/16/48/71/144164871.db2.gz AKFDQLNOQOQBCE-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN COC(=O)[C@H](CNc1cc(OC)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351475005 144266413 /nfs/dbraw/zinc/26/64/13/144266413.db2.gz AUNNQGFFLDTNQR-GFCCVEGCSA-N 0 0 348.330 3.111 10 5 EGBERN COc1cc(CSc2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000351814487 144309879 /nfs/dbraw/zinc/30/98/79/144309879.db2.gz XNSFAPZRGZCGFP-UHFFFAOYSA-N 0 0 334.401 3.214 10 5 EGBERN Cc1nnc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000351930256 144321086 /nfs/dbraw/zinc/32/10/86/144321086.db2.gz DUUCXSRYADKTLA-SECBINFHSA-N 0 0 346.391 3.202 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000361724351 144355670 /nfs/dbraw/zinc/35/56/70/144355670.db2.gz BSZQIOUALOPYKE-ACJLOTCBSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375454080 144597889 /nfs/dbraw/zinc/59/78/89/144597889.db2.gz HRAKBEMNGWGZOA-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN C[C@H](c1cccnc1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836519 152156206 /nfs/dbraw/zinc/15/62/06/152156206.db2.gz NNFXLVYUJKPBCH-JKSUJKDBSA-N 0 0 340.427 3.430 10 5 EGBERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120177473 152256000 /nfs/dbraw/zinc/25/60/00/152256000.db2.gz RQNPHDTVMSTWOU-CQSZACIVSA-N 0 0 334.420 3.160 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000152899669 152516471 /nfs/dbraw/zinc/51/64/71/152516471.db2.gz DWHICEIKNHBKDT-MRXNPFEDSA-N 0 0 345.355 3.410 10 5 EGBERN Cc1cc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000153828817 152557999 /nfs/dbraw/zinc/55/79/99/152557999.db2.gz UITAFLWLNXELIB-CJNGLKHVSA-N 0 0 335.404 3.356 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cs1 ZINC000189259078 153060039 /nfs/dbraw/zinc/06/00/39/153060039.db2.gz NZSKIZUBHWZIHO-GFCCVEGCSA-N 0 0 333.373 3.124 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000189794388 153097172 /nfs/dbraw/zinc/09/71/72/153097172.db2.gz COXAHIFYHLUPPD-UHFFFAOYSA-N 0 0 341.342 3.246 10 5 EGBERN CC[C@H](NCc1nccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000191061747 153173238 /nfs/dbraw/zinc/17/32/38/153173238.db2.gz HLBNVKBULCASGJ-AWEZNQCLSA-N 0 0 331.372 3.248 10 5 EGBERN CC(C)(C)c1csc([C@H]2CN(c3ncccc3[N+](=O)[O-])CCO2)n1 ZINC000195314182 153394978 /nfs/dbraw/zinc/39/49/78/153394978.db2.gz JJDKRJIMURAPHV-GFCCVEGCSA-N 0 0 348.428 3.322 10 5 EGBERN Cc1csc(NC(=O)CSc2nc(C)cc(C)c2[N+](=O)[O-])n1 ZINC000336918504 154239552 /nfs/dbraw/zinc/23/95/52/154239552.db2.gz DRAAKLSRNDZOTM-UHFFFAOYSA-N 0 0 338.414 3.102 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000339853870 155002909 /nfs/dbraw/zinc/00/29/09/155002909.db2.gz FDGZXPVBFGZSOE-AWEZNQCLSA-N 0 0 342.321 3.338 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000341040845 155128099 /nfs/dbraw/zinc/12/80/99/155128099.db2.gz JULVWTXCZJWCQP-CYBMUJFWSA-N 0 0 325.368 3.134 10 5 EGBERN Cc1ccc(CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000349086195 156349171 /nfs/dbraw/zinc/34/91/71/156349171.db2.gz BTDUELZKPNTQBL-UHFFFAOYSA-N 0 0 336.775 3.441 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000359970817 156859296 /nfs/dbraw/zinc/85/92/96/156859296.db2.gz OXFQBFYHBOTHHV-LLVKDONJSA-N 0 0 346.339 3.018 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](OC)c2ccccc2)c1 ZINC000360144652 156932461 /nfs/dbraw/zinc/93/24/61/156932461.db2.gz QDYXGFNFIFHVLM-INIZCTEOSA-N 0 0 330.340 3.181 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC12CCOCC2 ZINC000377847788 157428018 /nfs/dbraw/zinc/42/80/18/157428018.db2.gz PXNCIDJWHDHPHR-UHFFFAOYSA-N 0 0 325.752 3.035 10 5 EGBERN CCc1cnc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000081213039 161834341 /nfs/dbraw/zinc/83/43/41/161834341.db2.gz SMVOFWIFOGKSNK-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000105850682 162059794 /nfs/dbraw/zinc/05/97/94/162059794.db2.gz VYYZAHJGRWRLCK-MRXNPFEDSA-N 0 0 342.399 3.231 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]1c1ccccc1 ZINC000110445120 162127191 /nfs/dbraw/zinc/12/71/91/162127191.db2.gz PBZDFVOWHMJWKW-CVEARBPZSA-N 0 0 339.395 3.317 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000110455056 162128488 /nfs/dbraw/zinc/12/84/88/162128488.db2.gz BPLJMLSVHXYPAZ-DZGCQCFKSA-N 0 0 326.352 3.137 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000112187856 162165131 /nfs/dbraw/zinc/16/51/31/162165131.db2.gz KHRYYORSXNNIFV-UHFFFAOYSA-N 0 0 331.759 3.371 10 5 EGBERN Cc1sc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1[N+](=O)[O-] ZINC000151100771 162568908 /nfs/dbraw/zinc/56/89/08/162568908.db2.gz GPVQKSCLABTMBL-UHFFFAOYSA-N 0 0 343.408 3.271 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151189482 162574493 /nfs/dbraw/zinc/57/44/93/162574493.db2.gz NQXKJBKTBRAXOT-BLLLJJGKSA-N 0 0 338.791 3.015 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183582206 162832633 /nfs/dbraw/zinc/83/26/33/162832633.db2.gz NBJSPRZRAUSWAT-VIFPVBQESA-N 0 0 334.307 3.020 10 5 EGBERN COC(=O)c1cc(N[C@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000247822273 162975957 /nfs/dbraw/zinc/97/59/57/162975957.db2.gz INUSJIOEHUTKHQ-SNVBAGLBSA-N 0 0 340.339 3.431 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000336994758 163100351 /nfs/dbraw/zinc/10/03/51/163100351.db2.gz NHPRJVGPNWBBHO-UHFFFAOYSA-N 0 0 348.362 3.048 10 5 EGBERN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc(C)n1 ZINC000337070785 163121147 /nfs/dbraw/zinc/12/11/47/163121147.db2.gz YIVYOTDLDWYLNM-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338657593 163308878 /nfs/dbraw/zinc/30/88/78/163308878.db2.gz VPPAQFBXBSWWHX-NVXWUHKLSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(COc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000338848112 163362287 /nfs/dbraw/zinc/36/22/87/163362287.db2.gz YHRVNRGWQYVCRG-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342281695 163834954 /nfs/dbraw/zinc/83/49/54/163834954.db2.gz BVHKUQFLNMLQJV-UHFFFAOYSA-N 0 0 339.804 3.327 10 5 EGBERN COc1cc(NCCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000343846406 164050084 /nfs/dbraw/zinc/05/00/84/164050084.db2.gz NWEMCTGGNCXEHK-UHFFFAOYSA-N 0 0 348.330 3.168 10 5 EGBERN C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000345545420 164213277 /nfs/dbraw/zinc/21/32/77/164213277.db2.gz QTVNNKMMMHZHFD-NEPJUHHUSA-N 0 0 331.372 3.011 10 5 EGBERN COc1ccc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)cn1 ZINC000346056088 164327926 /nfs/dbraw/zinc/32/79/26/164327926.db2.gz ULBXCRWXQCYPLT-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN C[C@@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000346077471 164331765 /nfs/dbraw/zinc/33/17/65/164331765.db2.gz QFQGXUJQBPTHPP-ZDUSSCGKSA-N 0 0 325.368 3.463 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(OC(C)C)c3)no2)n1 ZINC000346228874 164360264 /nfs/dbraw/zinc/36/02/64/164360264.db2.gz UVKOFLGSMCSJMT-UHFFFAOYSA-N 0 0 343.343 3.315 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccnc4ccncc43)n2)s1 ZINC000347077206 164441522 /nfs/dbraw/zinc/44/15/22/164441522.db2.gz FXXHREDRELAILD-UHFFFAOYSA-N 0 0 325.309 3.317 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)Cc3ccccc3)n2)n1C ZINC000347139238 164450228 /nfs/dbraw/zinc/45/02/28/164450228.db2.gz RLSQVPDATDZTSG-SNVBAGLBSA-N 0 0 327.344 3.033 10 5 EGBERN CO[C@@](C)(c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000350422809 165048303 /nfs/dbraw/zinc/04/83/03/165048303.db2.gz RYNBXLVDWHQTBN-MRXNPFEDSA-N 0 0 328.328 3.398 10 5 EGBERN CC1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000352270353 165321017 /nfs/dbraw/zinc/32/10/17/165321017.db2.gz FPZARIFAHVWOQG-UHFFFAOYSA-N 0 0 325.796 3.280 10 5 EGBERN Cc1sc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355178948 166124664 /nfs/dbraw/zinc/12/46/64/166124664.db2.gz MATFKMKPEOAWFA-QLJPJBMISA-N 0 0 340.445 3.272 10 5 EGBERN COc1ccc(OCc2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000355885604 166337093 /nfs/dbraw/zinc/33/70/93/166337093.db2.gz DXOKSUUICWZKHZ-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000356109485 166402452 /nfs/dbraw/zinc/40/24/52/166402452.db2.gz KWUQUTZFRBRAKR-GXTWGEPZSA-N 0 0 332.306 3.293 10 5 EGBERN COc1cccc([C@@H](C)c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000357306104 166641090 /nfs/dbraw/zinc/64/10/90/166641090.db2.gz BOAFRDHTFLXARI-LLVKDONJSA-N 0 0 340.339 3.124 10 5 EGBERN Cc1ccc2cccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c2n1 ZINC000357326802 166648132 /nfs/dbraw/zinc/64/81/32/166648132.db2.gz AZUZTDMLNDRRNP-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CCOc1cc(OCC(=O)Nc2ccccc2OC)ccc1[N+](=O)[O-] ZINC000358538266 166892004 /nfs/dbraw/zinc/89/20/04/166892004.db2.gz FOXRRHPTPUSHDC-UHFFFAOYSA-N 0 0 346.339 3.020 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(NCC[C@@H](C)O)c([N+](=O)[O-])c2)cc1 ZINC000358924232 167006963 /nfs/dbraw/zinc/00/69/63/167006963.db2.gz XICXLCXOUBQKTQ-CYBMUJFWSA-N 0 0 343.383 3.338 10 5 EGBERN COc1ccccc1O[C@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359092703 167064720 /nfs/dbraw/zinc/06/47/20/167064720.db2.gz GOZMRQDVFPNYTR-CYBMUJFWSA-N 0 0 331.372 3.495 10 5 EGBERN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccnc1 ZINC000359110481 167069492 /nfs/dbraw/zinc/06/94/92/167069492.db2.gz RVFLSSJDWSAUSM-UHFFFAOYSA-N 0 0 337.282 3.258 10 5 EGBERN CC[C@@H](CSC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359126101 167074834 /nfs/dbraw/zinc/07/48/34/167074834.db2.gz NKHGJTPAUVLCPU-VIFPVBQESA-N 0 0 334.344 3.068 10 5 EGBERN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359152619 167082744 /nfs/dbraw/zinc/08/27/44/167082744.db2.gz JOPMIIDHGNNGLT-UHFFFAOYSA-N 0 0 337.738 3.334 10 5 EGBERN CC(C)[C@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC12CCC2 ZINC000359193545 167092590 /nfs/dbraw/zinc/09/25/90/167092590.db2.gz NMRVZICQEZYJLP-MRXNPFEDSA-N 0 0 338.354 3.453 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1C ZINC000360193744 167267650 /nfs/dbraw/zinc/26/76/50/167267650.db2.gz KQXFIMDTFDHYKC-LSDHHAIUSA-N 0 0 346.408 3.046 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000360683083 167386545 /nfs/dbraw/zinc/38/65/45/167386545.db2.gz XMNAXQOFLWJNBS-APPDUMDISA-N 0 0 347.371 3.464 10 5 EGBERN Cc1ccnc(NCc2noc(-c3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000366828474 168145672 /nfs/dbraw/zinc/14/56/72/168145672.db2.gz CUMLGTVNJWHHOU-UHFFFAOYSA-N 0 0 329.291 3.099 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000367208451 168193415 /nfs/dbraw/zinc/19/34/15/168193415.db2.gz WMQXWKRLNRBTNW-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN Cc1ccc(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000367801328 168271839 /nfs/dbraw/zinc/27/18/39/168271839.db2.gz NACDCKWTOTWEBJ-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000162824539 225877612 /nfs/dbraw/zinc/87/76/12/225877612.db2.gz ZIQRYPGNGVLEKV-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN Cc1cc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)ncc1[N+](=O)[O-] ZINC000120405955 221569737 /nfs/dbraw/zinc/56/97/37/221569737.db2.gz YTGGBDLJUVIBGM-CYBMUJFWSA-N 0 0 348.790 3.394 10 5 EGBERN Cc1ccc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(C)c1 ZINC000124094844 222375889 /nfs/dbraw/zinc/37/58/89/222375889.db2.gz FXTQXIJLUDXVBA-UHFFFAOYSA-N 0 0 348.424 3.270 10 5 EGBERN COC(=O)[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154491122 264806013 /nfs/dbraw/zinc/80/60/13/264806013.db2.gz MVPMFSPKNIROHQ-VDZSZVPASA-N 0 0 326.352 3.112 10 5 EGBERN C[C@H](COCc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174180413 265029250 /nfs/dbraw/zinc/02/92/50/265029250.db2.gz IIJLPPHQJAJMAA-CYBMUJFWSA-N 0 0 329.356 3.322 10 5 EGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000174185741 265029522 /nfs/dbraw/zinc/02/95/22/265029522.db2.gz ICPCJFJBZNDCJU-NSHDSACASA-N 0 0 345.403 3.006 10 5 EGBERN COC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000174611332 265059234 /nfs/dbraw/zinc/05/92/34/265059234.db2.gz MQGPQSXHGVGJOV-HNNXBMFYSA-N 0 0 343.339 3.095 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177982584 265290023 /nfs/dbraw/zinc/29/00/23/265290023.db2.gz JOGPUDKMHHHFEA-UHFFFAOYSA-N 0 0 325.324 3.070 10 5 EGBERN CC(C)Oc1cncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000178491211 265322594 /nfs/dbraw/zinc/32/25/94/265322594.db2.gz DNOSBAMCSBOYRC-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN C[C@H](C1CC1)n1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000189336467 265756436 /nfs/dbraw/zinc/75/64/36/265756436.db2.gz TUFIXFFJKPSFFZ-SNVBAGLBSA-N 0 0 339.355 3.496 10 5 EGBERN COc1cc(C(=O)NCc2ccc(SC)cc2)ccc1[N+](=O)[O-] ZINC000195320623 266173794 /nfs/dbraw/zinc/17/37/94/266173794.db2.gz ZEVXBWYTRWTIMJ-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000266200701 266273981 /nfs/dbraw/zinc/27/39/81/266273981.db2.gz DIVBLZDBJLWLBY-UHFFFAOYSA-N 0 0 338.429 3.159 10 5 EGBERN C[C@H]1C[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269630728 266329250 /nfs/dbraw/zinc/32/92/50/266329250.db2.gz HRBCLDRTNUZAGC-NKWVEPMBSA-N 0 0 347.596 3.397 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C2CCCCC2)n1 ZINC000272472007 266851253 /nfs/dbraw/zinc/85/12/53/266851253.db2.gz PJTRDFGZSSNUAS-UHFFFAOYSA-N 0 0 342.399 3.303 10 5 EGBERN CCOc1cccc(N2CCC[C@@H](n3cc(C)cn3)C2)c1[N+](=O)[O-] ZINC000273855327 267126110 /nfs/dbraw/zinc/12/61/10/267126110.db2.gz LAWJQYBKYPFGLL-CQSZACIVSA-N 0 0 330.388 3.340 10 5 EGBERN Cc1c(CC(=O)N2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000277365358 267771766 /nfs/dbraw/zinc/77/17/66/267771766.db2.gz HITMSGQVTTXIBE-LLVKDONJSA-N 0 0 330.306 3.247 10 5 EGBERN COc1cc(C)c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1C ZINC000278307850 267983765 /nfs/dbraw/zinc/98/37/65/267983765.db2.gz HCOYVYMDTIHPEJ-UHFFFAOYSA-N 0 0 346.387 3.062 10 5 EGBERN CC(C)(C)OC(=O)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278488235 268023693 /nfs/dbraw/zinc/02/36/93/268023693.db2.gz PHRIJCBOZWAIQH-UHFFFAOYSA-N 0 0 346.387 3.029 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C(=O)c1ccc(Cl)cc1 ZINC000348965629 274411499 /nfs/dbraw/zinc/41/14/99/274411499.db2.gz NGHLXLOHSNXJGZ-SNVBAGLBSA-N 0 0 344.754 3.409 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1COc2ccccc2C1 ZINC000367348330 274998966 /nfs/dbraw/zinc/99/89/66/274998966.db2.gz HMDFOMGUXPNNCL-NSHDSACASA-N 0 0 332.743 3.438 10 5 EGBERN O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000372011247 275000937 /nfs/dbraw/zinc/00/09/37/275000937.db2.gz ASRBKVUGHMFZOM-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Br)c1 ZINC000003097310 275031133 /nfs/dbraw/zinc/03/11/33/275031133.db2.gz LRSZOJLPHHNLMC-UHFFFAOYSA-N 0 0 347.124 3.158 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(C)(C)C)nn1C ZINC000103375595 275161780 /nfs/dbraw/zinc/16/17/80/275161780.db2.gz MRPOEAODQWJIPF-NSHDSACASA-N 0 0 342.399 3.217 10 5 EGBERN C[C@@H](Oc1cccc(F)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376174 275161804 /nfs/dbraw/zinc/16/18/04/275161804.db2.gz UVZRVCDJMZBESW-NWDGAFQWSA-N 0 0 344.342 3.479 10 5 EGBERN C[C@H](Oc1cccc(F)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376178 275161839 /nfs/dbraw/zinc/16/18/39/275161839.db2.gz UVZRVCDJMZBESW-RYUDHWBXSA-N 0 0 344.342 3.479 10 5 EGBERN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194838892 275227726 /nfs/dbraw/zinc/22/77/26/275227726.db2.gz VAKUQQQGDWJWND-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000278638895 275261352 /nfs/dbraw/zinc/26/13/52/275261352.db2.gz OUKIDHRBTOLQDJ-AWEZNQCLSA-N 0 0 344.342 3.401 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278755037 275271845 /nfs/dbraw/zinc/27/18/45/275271845.db2.gz MIGOVTGEHBLIGC-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000279805980 275361236 /nfs/dbraw/zinc/36/12/36/275361236.db2.gz WXKIPTXZJGBWAC-OAHLLOKOSA-N 0 0 340.379 3.281 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H](O)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000280042437 275395961 /nfs/dbraw/zinc/39/59/61/275395961.db2.gz MHFBBTYRKXCVBR-QGZVFWFLSA-N 0 0 344.367 3.342 10 5 EGBERN CCC(=O)c1ccc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000280816759 275498286 /nfs/dbraw/zinc/49/82/86/275498286.db2.gz XPKHNXHSPCPDRP-CYBMUJFWSA-N 0 0 348.399 3.356 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281126094 275524032 /nfs/dbraw/zinc/52/40/32/275524032.db2.gz SSTKYJBKHISEOY-OAHLLOKOSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1ccnc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282002898 275595463 /nfs/dbraw/zinc/59/54/63/275595463.db2.gz ULCDEOSNTRRVFM-CQSZACIVSA-N 0 0 341.415 3.215 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000282081041 275601383 /nfs/dbraw/zinc/60/13/83/275601383.db2.gz DBADAZZMAKWDGP-CQSZACIVSA-N 0 0 342.399 3.162 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283113133 275698288 /nfs/dbraw/zinc/69/82/88/275698288.db2.gz HLADYTHOHZWVPI-JTQLQIEISA-N 0 0 332.278 3.383 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000287406185 276116619 /nfs/dbraw/zinc/11/66/19/276116619.db2.gz AJBSVXINACHULP-GVDBMIGSSA-N 0 0 347.415 3.399 10 5 EGBERN O=c1[nH]c(N2CC[C@H](CC(F)(F)F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000287581045 276135951 /nfs/dbraw/zinc/13/59/51/276135951.db2.gz DOQMRIQJAVSMLV-MRVPVSSYSA-N 0 0 342.277 3.022 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc2c1CCCC2 ZINC000288468907 276217259 /nfs/dbraw/zinc/21/72/59/276217259.db2.gz OSDPQDYRUSDIHL-ZRDIBKRKSA-N 0 0 341.367 3.181 10 5 EGBERN CC(=O)c1ccc(N2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000288878873 276262961 /nfs/dbraw/zinc/26/29/61/276262961.db2.gz LXILKFPVYYKDOP-UHFFFAOYSA-N 0 0 340.335 3.175 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCC(F)(c2ccccn2)CC1 ZINC000289043196 276282944 /nfs/dbraw/zinc/28/29/44/276282944.db2.gz BPOXJNSJXVPNMN-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN CC(C)OCc1nc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000289423979 276336997 /nfs/dbraw/zinc/33/69/97/276336997.db2.gz CMBBWJZAKULMCH-VXGBXAGGSA-N 0 0 334.376 3.315 10 5 EGBERN Cc1ccc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(Cl)n1 ZINC000289804063 276397807 /nfs/dbraw/zinc/39/78/07/276397807.db2.gz YRYJVYQGHSALKI-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1[C@H]1CCCO1 ZINC000290697899 276530225 /nfs/dbraw/zinc/53/02/25/276530225.db2.gz VOJCPSVJXDTPDI-CVEARBPZSA-N 0 0 343.383 3.106 10 5 EGBERN C[C@H]1CC[C@H](c2ccccc2)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291059972 276582767 /nfs/dbraw/zinc/58/27/67/276582767.db2.gz FNKRMKBOQFZPAP-SWLSCSKDSA-N 0 0 340.383 3.066 10 5 EGBERN COc1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291436727 276643271 /nfs/dbraw/zinc/64/32/71/276643271.db2.gz ZNTLNMJLIBGWIA-INIZCTEOSA-N 0 0 345.399 3.078 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291938936 276710531 /nfs/dbraw/zinc/71/05/31/276710531.db2.gz MRQAPAUDLFWYBZ-OLZOCXBDSA-N 0 0 342.399 3.202 10 5 EGBERN CCc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000292374777 276781839 /nfs/dbraw/zinc/78/18/39/276781839.db2.gz RBKDWEFZFWAXMY-JTQLQIEISA-N 0 0 332.360 3.014 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCC1=O ZINC000362361741 278803125 /nfs/dbraw/zinc/80/31/25/278803125.db2.gz ZVLFXRYMSPQUQG-LLVKDONJSA-N 0 0 329.331 3.211 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc2nccnc21 ZINC000347684421 279013082 /nfs/dbraw/zinc/01/30/82/279013082.db2.gz FMQTXSPKGCFKEK-LLVKDONJSA-N 0 0 334.335 3.129 10 5 EGBERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000191934447 279039550 /nfs/dbraw/zinc/03/95/50/279039550.db2.gz OCCDTTVHILWELY-WPRPVWTQSA-N 0 0 343.177 3.111 10 5 EGBERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000191937484 280053664 /nfs/dbraw/zinc/05/36/64/280053664.db2.gz IENNADSCEVTHCS-PSASIEDQSA-N 0 0 343.177 3.111 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000370592014 280191988 /nfs/dbraw/zinc/19/19/88/280191988.db2.gz DRIJBDNBBOFZBN-MRXNPFEDSA-N 0 0 329.331 3.496 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000343473805 280354761 /nfs/dbraw/zinc/35/47/61/280354761.db2.gz QWJURDZCVXOLSH-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000266048327 280357136 /nfs/dbraw/zinc/35/71/36/280357136.db2.gz WNXPCPLNGNRDKU-SNVBAGLBSA-N 0 0 344.211 3.117 10 5 EGBERN CC[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373645711 288300256 /nfs/dbraw/zinc/30/02/56/288300256.db2.gz UABLMSLHGYJWIL-SWLSCSKDSA-N 0 0 326.780 3.023 10 5 EGBERN CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CC2(CCCC2)O1 ZINC000408434951 281272845 /nfs/dbraw/zinc/27/28/45/281272845.db2.gz KFQNHJVGROZOQR-UHFFFAOYSA-N 0 0 342.399 3.466 10 5 EGBERN C[C@H]1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)O1 ZINC000154486680 300051181 /nfs/dbraw/zinc/05/11/81/300051181.db2.gz LSZFVOPJMVPORT-GXFFZTMASA-N 0 0 346.305 3.053 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413572542 309037923 /nfs/dbraw/zinc/03/79/23/309037923.db2.gz KFSIWGOZLVNAEB-SMDDNHRTSA-N 0 0 336.388 3.140 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000087434756 307446203 /nfs/dbraw/zinc/44/62/03/307446203.db2.gz DGRVXNGFSYDFJY-UHFFFAOYSA-N 0 0 348.399 3.456 10 5 EGBERN C[C@@H](Sc1nnc(-c2cnccn2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000123004848 307535116 /nfs/dbraw/zinc/53/51/16/307535116.db2.gz IWVJCASGDTUCSQ-SNVBAGLBSA-N 0 0 342.384 3.034 10 5 EGBERN CCc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000152451028 307752992 /nfs/dbraw/zinc/75/29/92/307752992.db2.gz LDNDXXZCLVBYJI-UHFFFAOYSA-N 0 0 347.346 3.356 10 5 EGBERN Cc1c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000155053173 307806340 /nfs/dbraw/zinc/80/63/40/307806340.db2.gz IDQHTNQNWLWIHT-LBPRGKRZSA-N 0 0 328.368 3.312 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000160324385 307887986 /nfs/dbraw/zinc/88/79/86/307887986.db2.gz ZGCCYSWEJKLOQJ-NEPJUHHUSA-N 0 0 331.397 3.348 10 5 EGBERN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086621 307898370 /nfs/dbraw/zinc/89/83/70/307898370.db2.gz YJDIJCOVCKBUAG-GXFFZTMASA-N 0 0 334.401 3.119 10 5 EGBERN CCOC1(C)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000293749100 308158334 /nfs/dbraw/zinc/15/83/34/308158334.db2.gz WBTAMTWYDWSLSY-UHFFFAOYSA-N 0 0 331.372 3.107 10 5 EGBERN CC[C@@H](NC(=O)Cc1cnccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000293809150 308163879 /nfs/dbraw/zinc/16/38/79/308163879.db2.gz UEQVNABYAJXUSY-OAHLLOKOSA-N 0 0 333.775 3.453 10 5 EGBERN COc1cc(C(=O)Nc2cccc(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000293976224 308179269 /nfs/dbraw/zinc/17/92/69/308179269.db2.gz SLAUWDDYOZLPTQ-UHFFFAOYSA-N 0 0 343.339 3.137 10 5 EGBERN CC(C)(CCC(=O)Nc1cccc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000294494292 308226179 /nfs/dbraw/zinc/22/61/79/308226179.db2.gz NLAPTPVSCPSWPW-UHFFFAOYSA-N 0 0 334.294 3.402 10 5 EGBERN CCn1ccnc1CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000295065873 308286946 /nfs/dbraw/zinc/28/69/46/308286946.db2.gz VWCMFBLXUKZFNX-UHFFFAOYSA-N 0 0 339.193 3.494 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000295635441 308345669 /nfs/dbraw/zinc/34/56/69/308345669.db2.gz CVGGXRHBWPSZCF-GJZGRUSLSA-N 0 0 328.372 3.009 10 5 EGBERN CC(=O)N(c1nc(/C=C/c2ccnc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000296000103 308383290 /nfs/dbraw/zinc/38/32/90/308383290.db2.gz SLEHYZCTNGHWFH-NSCUHMNNSA-N 0 0 330.369 3.132 10 5 EGBERN COC(=O)c1cc(OCc2cc(C(C)(C)C)on2)ccc1[N+](=O)[O-] ZINC000296177929 308401381 /nfs/dbraw/zinc/40/13/81/308401381.db2.gz ZVEIVHOMVOQYIH-UHFFFAOYSA-N 0 0 334.328 3.246 10 5 EGBERN CC(C)(NCc1cccc(S(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000296179813 308401802 /nfs/dbraw/zinc/40/18/02/308401802.db2.gz XTSHEGUHCURUOE-UHFFFAOYSA-N 0 0 348.424 3.023 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000296904875 308479052 /nfs/dbraw/zinc/47/90/52/308479052.db2.gz KOOKMTJJPPVBNB-QSOAKEGCSA-N 0 0 332.400 3.008 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000298396013 308610356 /nfs/dbraw/zinc/61/03/56/308610356.db2.gz SENIBKHUROHODZ-UHFFFAOYSA-N 0 0 345.380 3.109 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000301160823 308690235 /nfs/dbraw/zinc/69/02/35/308690235.db2.gz HHAIGRVUWFAEEI-NSHDSACASA-N 0 0 329.331 3.124 10 5 EGBERN Cc1ccc(NC(=O)CCNc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000301260181 308693938 /nfs/dbraw/zinc/69/39/38/308693938.db2.gz UXRALEAJGQJZRF-UHFFFAOYSA-N 0 0 334.763 3.392 10 5 EGBERN COc1cc(NCCc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000301637098 308708503 /nfs/dbraw/zinc/70/85/03/308708503.db2.gz XAFXMFQLDXPPGG-UHFFFAOYSA-N 0 0 347.346 3.356 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1cn(-c2ccccc2)nn1 ZINC000301651974 308709071 /nfs/dbraw/zinc/70/90/71/308709071.db2.gz KDAHBGAOJODVJT-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COc1cc(NCCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1F ZINC000301665005 308709810 /nfs/dbraw/zinc/70/98/10/308709810.db2.gz ZMVOIHLNNXILMR-UHFFFAOYSA-N 0 0 335.291 3.305 10 5 EGBERN COC(=O)c1cc(NC[C@]2(C)CCCC[C@@H]2O)cc(C)c1[N+](=O)[O-] ZINC000301668944 308710067 /nfs/dbraw/zinc/71/00/67/308710067.db2.gz DNXOLTQELAMOPG-YOEHRIQHSA-N 0 0 336.388 3.043 10 5 EGBERN Cc1cccc([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000301697670 308711438 /nfs/dbraw/zinc/71/14/38/308711438.db2.gz QRKFWVPIIWSIDL-GFCCVEGCSA-N 0 0 341.367 3.450 10 5 EGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000301731097 308712870 /nfs/dbraw/zinc/71/28/70/308712870.db2.gz DMRGXEUWDPKOSW-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000301773446 308714711 /nfs/dbraw/zinc/71/47/11/308714711.db2.gz FMQNRFIZIKRWFX-MDZLAQPJSA-N 0 0 326.418 3.235 10 5 EGBERN Nc1nc2c(s1)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000301823457 308716981 /nfs/dbraw/zinc/71/69/81/308716981.db2.gz HTORVMXNTJUQEI-UHFFFAOYSA-N 0 0 344.318 3.215 10 5 EGBERN CCS[C@@H]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301878123 308719585 /nfs/dbraw/zinc/71/95/85/308719585.db2.gz JFQJLCJMKBAWLV-WDEREUQCSA-N 0 0 344.458 3.084 10 5 EGBERN C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000301875753 308719586 /nfs/dbraw/zinc/71/95/86/308719586.db2.gz IMAQCGBCLJESSL-JTQLQIEISA-N 0 0 340.426 3.275 10 5 EGBERN C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000301875754 308719587 /nfs/dbraw/zinc/71/95/87/308719587.db2.gz IMAQCGBCLJESSL-SNVBAGLBSA-N 0 0 340.426 3.275 10 5 EGBERN CCc1nn(C)c(N(C)Cc2cc(C)c(OC)c(C)c2)c1[N+](=O)[O-] ZINC000301939044 308722398 /nfs/dbraw/zinc/72/23/98/308722398.db2.gz SQGPDBOGRCISRA-UHFFFAOYSA-N 0 0 332.404 3.153 10 5 EGBERN Cc1cc(NCc2nnc3ccccn32)c2cccc([N+](=O)[O-])c2n1 ZINC000301985675 308724117 /nfs/dbraw/zinc/72/41/17/308724117.db2.gz COSVUYLQMDUXLU-UHFFFAOYSA-N 0 0 334.339 3.106 10 5 EGBERN C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000302170342 308731820 /nfs/dbraw/zinc/73/18/20/308731820.db2.gz LOTKCUXBTNFJMC-INIZCTEOSA-N 0 0 336.775 3.060 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@H]2CCCC[C@@H]12 ZINC000302191323 308732648 /nfs/dbraw/zinc/73/26/48/308732648.db2.gz QZRVZNAGKNTGLL-XBFCOCLRSA-N 0 0 338.429 3.013 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(F)ccc(F)c3C2)c1 ZINC000302194457 308732888 /nfs/dbraw/zinc/73/28/88/308732888.db2.gz SCLUVURWHDCTLB-UHFFFAOYSA-N 0 0 348.305 3.222 10 5 EGBERN Nc1nc(N2CCCCC[C@@H]2/C=C/c2cccs2)ncc1[N+](=O)[O-] ZINC000302354515 308736242 /nfs/dbraw/zinc/73/62/42/308736242.db2.gz DNLQTQVABLRCCV-ABZNLYFFSA-N 0 0 345.428 3.491 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O ZINC000302421564 308737165 /nfs/dbraw/zinc/73/71/65/308737165.db2.gz IZVVOSWPIAALJJ-UHFFFAOYSA-N 0 0 346.836 3.042 10 5 EGBERN COC(=O)c1cc(N(C)Cc2ccc(C)cn2)cc(C)c1[N+](=O)[O-] ZINC000302651778 308741141 /nfs/dbraw/zinc/74/11/41/308741141.db2.gz GTHZAOZNDZVATL-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccc(F)cc1 ZINC000302681981 308741813 /nfs/dbraw/zinc/74/18/13/308741813.db2.gz ACQYWDPRRCSBAK-MRXNPFEDSA-N 0 0 347.321 3.086 10 5 EGBERN CC1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)OCCCO1 ZINC000302761179 308744561 /nfs/dbraw/zinc/74/45/61/308744561.db2.gz YEGPOBSGDJBSNS-UHFFFAOYSA-N 0 0 329.356 3.222 10 5 EGBERN CCc1ncc2c(n1)CN(c1c(C)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000302823711 308747151 /nfs/dbraw/zinc/74/71/51/308747151.db2.gz LJUUTSHKQATMMO-UHFFFAOYSA-N 0 0 332.791 3.472 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000359892500 308893296 /nfs/dbraw/zinc/89/32/96/308893296.db2.gz BNBJBAGBQHSYDO-LBPRGKRZSA-N 0 0 335.360 3.306 10 5 EGBERN COc1cc(CN(C)c2ccc([N+](=O)[O-])c(OC)c2)cc(OC)c1 ZINC000360964315 308896004 /nfs/dbraw/zinc/89/60/04/308896004.db2.gz POEJHMQZOYLDGS-UHFFFAOYSA-N 0 0 332.356 3.257 10 5 EGBERN CC[C@H]1CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000410935426 308922916 /nfs/dbraw/zinc/92/29/16/308922916.db2.gz GNSZZBGOMJWZLE-VIFPVBQESA-N 0 0 332.278 3.160 10 5 EGBERN CCN(C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC(C)(C)C1 ZINC000411897318 308957112 /nfs/dbraw/zinc/95/71/12/308957112.db2.gz VBCREVXRYHRISY-UHFFFAOYSA-N 0 0 347.415 3.187 10 5 EGBERN CCc1cnc(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000412152211 308971801 /nfs/dbraw/zinc/97/18/01/308971801.db2.gz UTUPKTYHGUIWGM-LSDHHAIUSA-N 0 0 345.424 3.076 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412178351 308973150 /nfs/dbraw/zinc/97/31/50/308973150.db2.gz WGCOKNNKUPYZTB-UHFFFAOYSA-N 0 0 331.328 3.043 10 5 EGBERN C[C@@]12CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000412376545 308983678 /nfs/dbraw/zinc/98/36/78/308983678.db2.gz AJRIUPQUNPCINA-HSKGYUPQSA-N 0 0 338.407 3.369 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000412457076 308987152 /nfs/dbraw/zinc/98/71/52/308987152.db2.gz JKENFAUAXKUURG-CRAIPNDOSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000412792081 309002927 /nfs/dbraw/zinc/00/29/27/309002927.db2.gz IEOQNSXJICMDMM-UHFFFAOYSA-N 0 0 339.395 3.348 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000412948565 309009440 /nfs/dbraw/zinc/00/94/40/309009440.db2.gz SHYNRCKKYAVEQT-LBPRGKRZSA-N 0 0 349.387 3.113 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413206879 309021531 /nfs/dbraw/zinc/02/15/31/309021531.db2.gz QFJNFJUOTANBAO-LSDHHAIUSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1O ZINC000413227176 309022575 /nfs/dbraw/zinc/02/25/75/309022575.db2.gz OZCOBYDMRZSGJX-JQWIXIFHSA-N 0 0 347.337 3.242 10 5 EGBERN Cc1nc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1[N+](=O)[O-] ZINC000413415616 309031073 /nfs/dbraw/zinc/03/10/73/309031073.db2.gz BDAUQCYOHHTHOJ-GXTWGEPZSA-N 0 0 335.385 3.045 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000417071948 309191988 /nfs/dbraw/zinc/19/19/88/309191988.db2.gz IBKKLKMPQRWGBT-GFCCVEGCSA-N 0 0 344.367 3.492 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1nnc3ccccn31)CCCC2 ZINC000417346225 309202449 /nfs/dbraw/zinc/20/24/49/309202449.db2.gz UAIVTMCGFSHYHR-MRXNPFEDSA-N 0 0 337.383 3.195 10 5 EGBERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000417643419 309215631 /nfs/dbraw/zinc/21/56/31/309215631.db2.gz CJNFEEREKLDBHU-CZUORRHYSA-N 0 0 344.367 3.445 10 5 EGBERN COc1cc(N2CCC[C@H]2COc2cccnc2C)ccc1[N+](=O)[O-] ZINC000419019902 309259662 /nfs/dbraw/zinc/25/96/62/309259662.db2.gz FDLXFNPIKPHRNO-HNNXBMFYSA-N 0 0 343.383 3.355 10 5 EGBERN O=C1NCCC[C@@H]1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419436490 309267180 /nfs/dbraw/zinc/26/71/80/309267180.db2.gz DNAVIDQKFUNWET-NSHDSACASA-N 0 0 334.319 3.125 10 5 EGBERN CC[C@H]1C[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623372 309290571 /nfs/dbraw/zinc/29/05/71/309290571.db2.gz VBIUHHKMKWRKPV-ZBFHGGJFSA-N 0 0 342.399 3.152 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@]23CCOC3)nc1-c1ccc(F)cc1 ZINC000420643853 309291407 /nfs/dbraw/zinc/29/14/07/309291407.db2.gz RJBMINKRCABIDF-QGZVFWFLSA-N 0 0 329.331 3.165 10 5 EGBERN C[C@@H](C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccnn1C ZINC000421457637 309325376 /nfs/dbraw/zinc/32/53/76/309325376.db2.gz JZUXQXZCGWWEGV-CYBMUJFWSA-N 0 0 342.399 3.408 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000421524776 309328374 /nfs/dbraw/zinc/32/83/74/309328374.db2.gz LTGNFXOOQJLBNV-LSDHHAIUSA-N 0 0 332.400 3.100 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000421541936 309329063 /nfs/dbraw/zinc/32/90/63/309329063.db2.gz MPNHPABURIBAGK-MRXNPFEDSA-N 0 0 342.399 3.313 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000421541934 309329096 /nfs/dbraw/zinc/32/90/96/309329096.db2.gz MPNHPABURIBAGK-INIZCTEOSA-N 0 0 342.399 3.313 10 5 EGBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421570095 309330035 /nfs/dbraw/zinc/33/00/35/309330035.db2.gz PJBIKAISCOJGBS-HIFRSBDPSA-N 0 0 348.399 3.063 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000421568542 309330117 /nfs/dbraw/zinc/33/01/17/309330117.db2.gz HQSGKRMSKQBFNM-DFHZNHDVSA-N 0 0 326.396 3.496 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000421673763 309334014 /nfs/dbraw/zinc/33/40/14/309334014.db2.gz YMKMOILRSHNLHF-HLLBOEOZSA-N 0 0 334.416 3.237 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000421905736 309345962 /nfs/dbraw/zinc/34/59/62/309345962.db2.gz ADDUCCIYNNYYPZ-LBPRGKRZSA-N 0 0 345.424 3.339 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000426871606 309519017 /nfs/dbraw/zinc/51/90/17/309519017.db2.gz NUQHVPGYGKHEMP-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n1 ZINC000427740709 309535085 /nfs/dbraw/zinc/53/50/85/309535085.db2.gz JYKKAEPPWKCTKT-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN CC(C)C[C@H]1C(=O)N(CCCCc2ccc([N+](=O)[O-])cc2)C(=O)N1C ZINC000427952360 309538822 /nfs/dbraw/zinc/53/88/22/309538822.db2.gz SFANRLGUDFLUQC-INIZCTEOSA-N 0 0 347.415 3.226 10 5 EGBERN CC(C)(C(=O)NCCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000433269115 309684245 /nfs/dbraw/zinc/68/42/45/309684245.db2.gz HEAOBCNETFQWCC-YOEHRIQHSA-N 0 0 348.443 3.320 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000437362537 309791269 /nfs/dbraw/zinc/79/12/69/309791269.db2.gz DKTHJHVXDZNKMR-OLZOCXBDSA-N 0 0 348.305 3.482 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1cccnc1C ZINC000439232112 309828858 /nfs/dbraw/zinc/82/88/58/309828858.db2.gz FVFLQLVDWUUYBQ-UHFFFAOYSA-N 0 0 329.356 3.039 10 5 EGBERN CCC(C)(C)[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000441545940 309874108 /nfs/dbraw/zinc/87/41/08/309874108.db2.gz MKRPTGFPLKKAHT-MRXNPFEDSA-N 0 0 333.432 3.458 10 5 EGBERN C[C@@H](NC(=O)NC[C@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000446508829 309963071 /nfs/dbraw/zinc/96/30/71/309963071.db2.gz ZMFMHYVFBYBAPC-ACJLOTCBSA-N 0 0 349.431 3.286 10 5 EGBERN CC(C)c1ccc(C(=O)NCC2(CO)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000447624164 309984710 /nfs/dbraw/zinc/98/47/10/309984710.db2.gz KAEKGFSFBKUHAE-UHFFFAOYSA-N 0 0 346.427 3.391 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCOc4c(F)cccc43)nc2c1 ZINC000447669523 309985473 /nfs/dbraw/zinc/98/54/73/309985473.db2.gz GKZNWPVZCLGDMH-CYBMUJFWSA-N 0 0 342.330 3.358 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000449793456 310087683 /nfs/dbraw/zinc/08/76/83/310087683.db2.gz WWYDLHZZDORARC-RYUDHWBXSA-N 0 0 326.352 3.409 10 5 EGBERN CC1(O)CC(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449885645 310092293 /nfs/dbraw/zinc/09/22/93/310092293.db2.gz TYQUKLZRZQUKNT-UHFFFAOYSA-N 0 0 342.351 3.487 10 5 EGBERN O=C(CNc1nccc2c1cccc2[N+](=O)[O-])NC1CCCCC1 ZINC000450293427 310113787 /nfs/dbraw/zinc/11/37/87/310113787.db2.gz XKFPBKAZJLLUEN-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000450393372 310119873 /nfs/dbraw/zinc/11/98/73/310119873.db2.gz QVXCYDSFWKKZOW-GJZGRUSLSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@H]1CCCC[C@H]1O ZINC000450393128 310119909 /nfs/dbraw/zinc/11/99/09/310119909.db2.gz OFAJWEJABDADQO-CXAGYDPISA-N 0 0 329.400 3.308 10 5 EGBERN COC[C@@](C)(O)CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450592060 310131889 /nfs/dbraw/zinc/13/18/89/310131889.db2.gz KPAUMJPDAGZYAW-ZDUSSCGKSA-N 0 0 336.310 3.121 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450664850 310136157 /nfs/dbraw/zinc/13/61/57/310136157.db2.gz ZWSVBSDAHYGMEU-YJBOKZPZSA-N 0 0 330.359 3.208 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000450673751 310136528 /nfs/dbraw/zinc/13/65/28/310136528.db2.gz AGBPTTCIABJVQU-BNOWGMLFSA-N 0 0 325.796 3.163 10 5 EGBERN CCCc1ncc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])o1 ZINC000450844108 310145421 /nfs/dbraw/zinc/14/54/21/310145421.db2.gz GWZPPMKIFMYQCV-UHFFFAOYSA-N 0 0 346.387 3.286 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451114711 310161212 /nfs/dbraw/zinc/16/12/12/310161212.db2.gz DYKRCMKCVXYWOH-MCIONIFRSA-N 0 0 332.400 3.451 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2c(F)cccc21 ZINC000452201780 310218385 /nfs/dbraw/zinc/21/83/85/310218385.db2.gz XWXCONDEXPGKKK-KRWDZBQOSA-N 0 0 344.342 3.307 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452607952 310234514 /nfs/dbraw/zinc/23/45/14/310234514.db2.gz VCLHXWRWFUREBU-RYRUWHOVSA-N 0 0 337.379 3.360 10 5 EGBERN CSC[C@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453235281 310265879 /nfs/dbraw/zinc/26/58/79/310265879.db2.gz JUNXXTBLNHFYRV-VIFPVBQESA-N 0 0 334.401 3.469 10 5 EGBERN Cc1[nH]nc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)c1C ZINC000453244635 310266388 /nfs/dbraw/zinc/26/63/88/310266388.db2.gz ZCSBXZBHZVUAIA-UHFFFAOYSA-N 0 0 340.343 3.010 10 5 EGBERN Cc1c(-c2noc([C@@H]3CCCc4n[nH]cc43)n2)cccc1[N+](=O)[O-] ZINC000453258443 310267459 /nfs/dbraw/zinc/26/74/59/310267459.db2.gz OXJROFPTCGJGNN-LLVKDONJSA-N 0 0 325.328 3.145 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cc4c(cc3O)CCCC4)n2)o1 ZINC000453262472 310267655 /nfs/dbraw/zinc/26/76/55/310267655.db2.gz SJDQGCGKOUNEEX-UHFFFAOYSA-N 0 0 327.296 3.489 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000454133454 310293959 /nfs/dbraw/zinc/29/39/59/310293959.db2.gz NBWCMOSUQBLMAJ-MCTLKSGKSA-N 0 0 343.383 3.279 10 5 EGBERN CC[C@H](NC(=O)NCCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000455560423 310366785 /nfs/dbraw/zinc/36/67/85/310366785.db2.gz MJXKGGQJXXVSJH-BBRMVZONSA-N 0 0 335.404 3.162 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000456156055 310390991 /nfs/dbraw/zinc/39/09/91/310390991.db2.gz SJFRSJYYFNNNCA-BXUZGUMPSA-N 0 0 340.807 3.429 10 5 EGBERN CSc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cnn1C ZINC000456170138 310391765 /nfs/dbraw/zinc/39/17/65/310391765.db2.gz BKGZAQKCYLFBGW-UHFFFAOYSA-N 0 0 349.416 3.123 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000457081391 310436222 /nfs/dbraw/zinc/43/62/22/310436222.db2.gz MVROZQUTBSCNPU-YPMHNXCESA-N 0 0 348.790 3.048 10 5 EGBERN CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460222464 310581100 /nfs/dbraw/zinc/58/11/00/310581100.db2.gz OMUANOQQGKLGBB-JSGCOSHPSA-N 0 0 329.404 3.498 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(c2ccccc2F)C1 ZINC000461986743 310594221 /nfs/dbraw/zinc/59/42/21/310594221.db2.gz UDPZRKOWFDDCHF-UHFFFAOYSA-N 0 0 344.342 3.433 10 5 EGBERN Cc1cc(NC(=O)CCc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462574825 310601964 /nfs/dbraw/zinc/60/19/64/310601964.db2.gz RFTXSTYSBVJKOD-UHFFFAOYSA-N 0 0 335.363 3.445 10 5 EGBERN Cc1ccc(C)c(-n2cnc(=O)n2[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000468404816 310687032 /nfs/dbraw/zinc/68/70/32/310687032.db2.gz ZWANHZFOXOLNTF-CQSZACIVSA-N 0 0 338.367 3.168 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470353247 310721886 /nfs/dbraw/zinc/72/18/86/310721886.db2.gz JYUCGJPHCXKUKY-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000471983778 310756321 /nfs/dbraw/zinc/75/63/21/310756321.db2.gz DBMLWCSKIDRACN-JQWIXIFHSA-N 0 0 345.321 3.120 10 5 EGBERN COc1ccc(CNC(=O)C/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474542212 310795675 /nfs/dbraw/zinc/79/56/75/310795675.db2.gz ATIJUIBMGHGUGJ-NSCUHMNNSA-N 0 0 344.342 3.462 10 5 EGBERN COc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477303362 310842910 /nfs/dbraw/zinc/84/29/10/310842910.db2.gz OSDIQVSJNGZCMW-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC(C)(C(=O)NC[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000481308051 310910878 /nfs/dbraw/zinc/91/08/78/310910878.db2.gz AGEBPDVYKNWHQU-LJQANCHMSA-N 0 0 348.443 3.320 10 5 EGBERN CCCc1cc(=O)[nH]c(SCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000484714450 310968742 /nfs/dbraw/zinc/96/87/42/310968742.db2.gz MQNFIALQNVNSRU-UHFFFAOYSA-N 0 0 335.385 3.344 10 5 EGBERN CCCC[C@@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000484784987 310970230 /nfs/dbraw/zinc/97/02/30/310970230.db2.gz RUJQHVYLEMWJNR-GFCCVEGCSA-N 0 0 344.433 3.241 10 5 EGBERN CC(C)[C@@H](CO)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000485504833 310978525 /nfs/dbraw/zinc/97/85/25/310978525.db2.gz NMENDBRBJICMLK-GFCCVEGCSA-N 0 0 337.420 3.278 10 5 EGBERN O=C(c1cc[nH]c1C1CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000487436087 311023472 /nfs/dbraw/zinc/02/34/72/311023472.db2.gz GBRVMEIZCPUTCF-UHFFFAOYSA-N 0 0 341.367 3.094 10 5 EGBERN CC[C@@H](NC(=O)CN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000487862071 311040434 /nfs/dbraw/zinc/04/04/34/311040434.db2.gz RDNQTCCWIMGSEL-QGZVFWFLSA-N 0 0 339.395 3.225 10 5 EGBERN Nc1nc(N[C@@H]2CCCc3sc(Cl)cc32)ncc1[N+](=O)[O-] ZINC000488755201 311078779 /nfs/dbraw/zinc/07/87/79/311078779.db2.gz XDECVQVQROKCBK-SSDOTTSWSA-N 0 0 325.781 3.002 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000488794357 311080153 /nfs/dbraw/zinc/08/01/53/311080153.db2.gz COZHASTUZWXRAB-UHFFFAOYSA-N 0 0 346.387 3.393 10 5 EGBERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1 ZINC000489205540 311095788 /nfs/dbraw/zinc/09/57/88/311095788.db2.gz NBYYHLRLWRMJHC-JGVFFNPUSA-N 0 0 337.405 3.087 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000489560789 311112066 /nfs/dbraw/zinc/11/20/66/311112066.db2.gz AWDKXDYPHUQCTK-JTQLQIEISA-N 0 0 328.315 3.314 10 5 EGBERN COc1cc(CS(=O)(=O)c2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000492105014 311216879 /nfs/dbraw/zinc/21/68/79/311216879.db2.gz MEZFOKWWFWFHJM-UHFFFAOYSA-N 0 0 335.381 3.194 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000493932721 311445660 /nfs/dbraw/zinc/44/56/60/311445660.db2.gz CAIWMCBVFLHLBF-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(SC)cc1 ZINC000494637777 311496830 /nfs/dbraw/zinc/49/68/30/311496830.db2.gz QJDHNKKKQQATEW-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000501140535 311939550 /nfs/dbraw/zinc/93/95/50/311939550.db2.gz RHWDLJCTMRQYME-NXEZZACHSA-N 0 0 346.836 3.223 10 5 EGBERN CCc1n[nH]c(C(=O)NCc2ccc(C(C)(C)CC)cc2)c1[N+](=O)[O-] ZINC000505384660 312021067 /nfs/dbraw/zinc/02/10/67/312021067.db2.gz PDYYCGIPDMVEAD-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507303910 312067765 /nfs/dbraw/zinc/06/77/65/312067765.db2.gz JVCCTFWAFVHVLD-GXFFZTMASA-N 0 0 327.331 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000511103182 312154542 /nfs/dbraw/zinc/15/45/42/312154542.db2.gz BOBZDGAHBWFFPH-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512519982 312188683 /nfs/dbraw/zinc/18/86/83/312188683.db2.gz VUJNCSHSHTUMMY-LBPRGKRZSA-N 0 0 340.426 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CNc3cc4n(n3)CCCC4)o2)cc1 ZINC000513026706 312200102 /nfs/dbraw/zinc/20/01/02/312200102.db2.gz FFYZKRCKIQPKCD-UHFFFAOYSA-N 0 0 338.367 3.422 10 5 EGBERN O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513412420 312209691 /nfs/dbraw/zinc/20/96/91/312209691.db2.gz ZIFIVKWWLGONED-ZJUUUORDSA-N 0 0 328.290 3.463 10 5 EGBERN CC(=O)c1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1C ZINC000514991365 312258384 /nfs/dbraw/zinc/25/83/84/312258384.db2.gz NEGJFOMJPCSGKY-UHFFFAOYSA-N 0 0 338.363 3.304 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CCCCC2 ZINC000524739351 312675503 /nfs/dbraw/zinc/67/55/03/312675503.db2.gz CQKLPJWMHWXEJY-UHFFFAOYSA-N 0 0 347.415 3.339 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000527182664 312838043 /nfs/dbraw/zinc/83/80/43/312838043.db2.gz OCONITSXPFGAPA-OKILXGFUSA-N 0 0 331.416 3.454 10 5 EGBERN CC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000527300267 312852600 /nfs/dbraw/zinc/85/26/00/312852600.db2.gz BUVBVVZKUROEND-LBPRGKRZSA-N 0 0 331.294 3.003 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000527471453 312867257 /nfs/dbraw/zinc/86/72/57/312867257.db2.gz YDLLBQGSYRGJNF-AOOOYVTPSA-N 0 0 345.321 3.425 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000527471454 312867380 /nfs/dbraw/zinc/86/73/80/312867380.db2.gz YDLLBQGSYRGJNF-NXEZZACHSA-N 0 0 345.321 3.425 10 5 EGBERN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531626845 313692802 /nfs/dbraw/zinc/69/28/02/313692802.db2.gz DNPFUNQVNKGTAJ-UHFFFAOYSA-N 0 0 341.245 3.183 10 5 EGBERN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000532137609 313759346 /nfs/dbraw/zinc/75/93/46/313759346.db2.gz ZTPRXTDWAMBIKH-GFCCVEGCSA-N 0 0 325.246 3.023 10 5 EGBERN CC(C)(C)OCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000532860991 313847326 /nfs/dbraw/zinc/84/73/26/313847326.db2.gz VUSXUMQBDORWOZ-UHFFFAOYSA-N 0 0 335.404 3.084 10 5 EGBERN CC(C)Oc1ccccc1[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000534310851 313970285 /nfs/dbraw/zinc/97/02/85/313970285.db2.gz FVLOOUBLIFJKOO-LBPRGKRZSA-N 0 0 341.371 3.020 10 5 EGBERN CCc1ncsc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535305876 314039236 /nfs/dbraw/zinc/03/92/36/314039236.db2.gz XSEJBKPOCPXOKW-UHFFFAOYSA-N 0 0 332.385 3.204 10 5 EGBERN COc1ccc(OC)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000537138403 314163718 /nfs/dbraw/zinc/16/37/18/314163718.db2.gz OAFNBBGIKZQRQT-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000538247785 314234754 /nfs/dbraw/zinc/23/47/54/314234754.db2.gz OABPWMCSFKBWEK-LLVKDONJSA-N 0 0 331.347 3.291 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000541114760 314436654 /nfs/dbraw/zinc/43/66/54/314436654.db2.gz FRRWDJYFDZEKSA-KGLIPLIRSA-N 0 0 336.388 3.387 10 5 EGBERN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000541333912 314451191 /nfs/dbraw/zinc/45/11/91/314451191.db2.gz DPFOIJTYMHLOAH-CQSZACIVSA-N 0 0 336.388 3.083 10 5 EGBERN Cc1cccc2[nH]cc(CCNc3ncnc4cccc([N+](=O)[O-])c43)c21 ZINC000542506310 314552188 /nfs/dbraw/zinc/55/21/88/314552188.db2.gz BULFSNZZFHHPKN-UHFFFAOYSA-N 0 0 347.378 3.404 10 5 EGBERN COCCOc1ccc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000542974407 314596414 /nfs/dbraw/zinc/59/64/14/314596414.db2.gz NHPHBBFLLIRHGI-UHFFFAOYSA-N 0 0 346.339 3.150 10 5 EGBERN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545197433 314740585 /nfs/dbraw/zinc/74/05/85/314740585.db2.gz XSMMQFNNQDNNAV-SJCJKPOMSA-N 0 0 325.368 3.433 10 5 EGBERN Cc1ccc(C(F)(F)c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000545775274 314780960 /nfs/dbraw/zinc/78/09/60/314780960.db2.gz FBQKSGWPQNFTCT-UHFFFAOYSA-N 0 0 346.293 3.412 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2CCOCCOc1ccccc1 ZINC000546808072 314859105 /nfs/dbraw/zinc/85/91/05/314859105.db2.gz GBXAPVVSRNPORX-UHFFFAOYSA-N 0 0 328.368 3.053 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000548465242 315013318 /nfs/dbraw/zinc/01/33/18/315013318.db2.gz HLBUYUZBFNDSDC-MFKMUULPSA-N 0 0 345.321 3.467 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2cc(-c3ccccc3)ccc21 ZINC000548962502 315065992 /nfs/dbraw/zinc/06/59/92/315065992.db2.gz UYVMWFNTBJUGLH-UHFFFAOYSA-N 0 0 334.335 3.188 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000549346347 315087949 /nfs/dbraw/zinc/08/79/49/315087949.db2.gz CLEIWGDJZVZYQN-HUUCEWRRSA-N 0 0 341.415 3.500 10 5 EGBERN Cc1ccc(C)c(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000550978647 315139202 /nfs/dbraw/zinc/13/92/02/315139202.db2.gz RHAIUGNLHJLBDF-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN CC(C)(C)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551689974 315163692 /nfs/dbraw/zinc/16/36/92/315163692.db2.gz ZSWJJJIJHOMZIW-UHFFFAOYSA-N 0 0 349.431 3.383 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000551768833 315167013 /nfs/dbraw/zinc/16/70/13/315167013.db2.gz DKENVALZHMYEDX-UHFFFAOYSA-N 0 0 341.367 3.470 10 5 EGBERN C[C@H]1CC[C@@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553328072 315258111 /nfs/dbraw/zinc/25/81/11/315258111.db2.gz CVEDZSYNDOSCIJ-CABZTGNLSA-N 0 0 334.763 3.005 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000553378762 315260859 /nfs/dbraw/zinc/26/08/59/315260859.db2.gz KGIFKAPWNMWBME-LLVKDONJSA-N 0 0 347.375 3.035 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1COc2ccccc21 ZINC000558344906 315560428 /nfs/dbraw/zinc/56/04/28/315560428.db2.gz PFJCICPIEXVFTD-NSHDSACASA-N 0 0 346.770 3.463 10 5 EGBERN CC(C)(C)C1CC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000558954429 315612264 /nfs/dbraw/zinc/61/22/64/315612264.db2.gz UVEWVEBPPDPJAY-UHFFFAOYSA-N 0 0 326.418 3.235 10 5 EGBERN C[C@H](C(=O)NCCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000559390329 315631707 /nfs/dbraw/zinc/63/17/07/315631707.db2.gz QVNBTSKHFDDEPJ-ZDUSSCGKSA-N 0 0 345.374 3.456 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000561209571 315749191 /nfs/dbraw/zinc/74/91/91/315749191.db2.gz KMLXRPQMUXNHMZ-AWEZNQCLSA-N 0 0 345.330 3.323 10 5 EGBERN CCC[C@H](C)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272372 315810388 /nfs/dbraw/zinc/81/03/88/315810388.db2.gz FCTZEZUAICVPNF-LBPRGKRZSA-N 0 0 332.404 3.449 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565115281 316269016 /nfs/dbraw/zinc/26/90/16/316269016.db2.gz OYRYTHDQHDRBBC-ZANVPECISA-N 0 0 348.321 3.141 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000565229637 316295387 /nfs/dbraw/zinc/29/53/87/316295387.db2.gz NDEYDANIEJSWOM-LBPRGKRZSA-N 0 0 338.429 3.460 10 5 EGBERN CC[C@H]1CCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565561090 316339830 /nfs/dbraw/zinc/33/98/30/316339830.db2.gz ONYWUMNIYVFXKG-BLLLJJGKSA-N 0 0 344.415 3.497 10 5 EGBERN CCc1cc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000567727279 316665094 /nfs/dbraw/zinc/66/50/94/316665094.db2.gz IEWZUFYKVIIMQC-INIZCTEOSA-N 0 0 330.384 3.317 10 5 EGBERN C[C@H](C(=O)NC[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000568348370 316761588 /nfs/dbraw/zinc/76/15/88/316761588.db2.gz VQODYCDFARYXLA-SCLBCKFNSA-N 0 0 334.416 3.146 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000568773359 316821715 /nfs/dbraw/zinc/82/17/15/316821715.db2.gz KQYXUJJEJMPIBE-UHFFFAOYSA-N 0 0 337.383 3.179 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000569241692 316887721 /nfs/dbraw/zinc/88/77/21/316887721.db2.gz GKSAAHKVAIRXPV-VIFPVBQESA-N 0 0 334.706 3.010 10 5 EGBERN Cc1ccc(OCCN(C)c2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000569625479 316940816 /nfs/dbraw/zinc/94/08/16/316940816.db2.gz MHLFLBLWULGSMK-UHFFFAOYSA-N 0 0 338.367 3.362 10 5 EGBERN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000570590770 317078067 /nfs/dbraw/zinc/07/80/67/317078067.db2.gz BIZXYWYTWFBJIV-LBPRGKRZSA-N 0 0 343.236 3.004 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000570595097 317078857 /nfs/dbraw/zinc/07/88/57/317078857.db2.gz ZHEYIBZRMLRZNO-OKDNKWQNSA-N 0 0 346.427 3.240 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000571292151 317179872 /nfs/dbraw/zinc/17/98/72/317179872.db2.gz ZLEDHHJAMDRODV-SJCJKPOMSA-N 0 0 346.358 3.203 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000571581313 317219730 /nfs/dbraw/zinc/21/97/30/317219730.db2.gz LKQYWEFNJNWJQL-QGZVFWFLSA-N 0 0 336.388 3.162 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000572504889 317348836 /nfs/dbraw/zinc/34/88/36/317348836.db2.gz NPPNJQMSOPGEDT-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN COc1cc(N[C@@H](C)COCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000268179000 455610658 /nfs/dbraw/zinc/61/06/58/455610658.db2.gz SLBQQWXHZYEWDJ-ZETCQYMHSA-N 0 0 326.246 3.122 10 5 EGBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625449 323243566 /nfs/dbraw/zinc/24/35/66/323243566.db2.gz DSRRBQKNJYFTJO-WPGHFRTFSA-N 0 0 336.363 3.040 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC/C=C/c1ccccc1 ZINC000171850423 323255189 /nfs/dbraw/zinc/25/51/89/323255189.db2.gz HUDZRNVVQSCQDU-VMPITWQZSA-N 0 0 341.367 3.116 10 5 EGBERN C[C@H]1C[C@H](c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000351105630 324171689 /nfs/dbraw/zinc/17/16/89/324171689.db2.gz NSHBFHYMUJRSBE-WCQYABFASA-N 0 0 345.355 3.076 10 5 EGBERN CCOCCOc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351140129 324179462 /nfs/dbraw/zinc/17/94/62/324179462.db2.gz BFKNPMMTQOIQNY-UHFFFAOYSA-N 0 0 345.311 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)o1 ZINC000351145908 324180764 /nfs/dbraw/zinc/18/07/64/324180764.db2.gz KQYKWKIBWNZNCJ-SNVBAGLBSA-N 0 0 327.296 3.347 10 5 EGBERN Cc1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)nn1 ZINC000351255585 324211703 /nfs/dbraw/zinc/21/17/03/324211703.db2.gz FBSLZJZKKAZBCU-UHFFFAOYSA-N 0 0 325.328 3.069 10 5 EGBERN CCNC(=O)c1cccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000575864005 324495471 /nfs/dbraw/zinc/49/54/71/324495471.db2.gz UPOZSWBLJGVSEN-UHFFFAOYSA-N 0 0 341.367 3.411 10 5 EGBERN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1c[nH]nc1[N+](=O)[O-] ZINC000577162322 324754189 /nfs/dbraw/zinc/75/41/89/324754189.db2.gz YJUGJUIOYMSYAS-JTQLQIEISA-N 0 0 341.154 3.042 10 5 EGBERN O=C(Nc1cc(Cl)ccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579149610 325069988 /nfs/dbraw/zinc/06/99/88/325069988.db2.gz FGPONZUIUCVATN-UHFFFAOYSA-N 0 0 332.747 3.233 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000579738864 325153517 /nfs/dbraw/zinc/15/35/17/325153517.db2.gz DBKLSIOOSVUKLK-HZPDHXFCSA-N 0 0 325.368 3.292 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000580328146 325235968 /nfs/dbraw/zinc/23/59/68/325235968.db2.gz MMGXMVMBTFRMKJ-MRXNPFEDSA-N 0 0 339.395 3.165 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000580736332 325289733 /nfs/dbraw/zinc/28/97/33/325289733.db2.gz PPNBLANZLNMGHG-FTGAXOIBSA-N 0 0 326.343 3.356 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCO[C@]2(CCSC2)C1 ZINC000580949211 325313197 /nfs/dbraw/zinc/31/31/97/325313197.db2.gz GYJJGPDJRNECQA-CYBMUJFWSA-N 0 0 348.346 3.326 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1cscn1 ZINC000581081673 325328780 /nfs/dbraw/zinc/32/87/80/325328780.db2.gz CLGMXPMNLAIKLC-MNOVXSKESA-N 0 0 334.401 3.119 10 5 EGBERN Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610335 325376143 /nfs/dbraw/zinc/37/61/43/325376143.db2.gz JVDADPYSRSXFFX-DGCLKSJQSA-N 0 0 335.404 3.134 10 5 EGBERN CC(=O)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)nc1C ZINC000583437306 325524374 /nfs/dbraw/zinc/52/43/74/325524374.db2.gz GIQUBYILYKHXFL-UHFFFAOYSA-N 0 0 340.383 3.387 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189573120 455219375 /nfs/dbraw/zinc/21/93/75/455219375.db2.gz KZDIHSMAOZWJCM-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000157711876 455223671 /nfs/dbraw/zinc/22/36/71/455223671.db2.gz KIBQVHQLRDDFQT-SECBINFHSA-N 0 0 341.154 3.042 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnn(Cc3c(F)cccc3Cl)n2)c1 ZINC000000090096 452503899 /nfs/dbraw/zinc/50/38/99/452503899.db2.gz AGSXHFYFMDTNHD-UHFFFAOYSA-N 0 0 333.710 3.089 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccc(Cl)cc2)C1 ZINC000000135462 452517371 /nfs/dbraw/zinc/51/73/71/452517371.db2.gz BFPHBAWMOSMIEA-UHFFFAOYSA-N 0 0 332.743 3.152 10 5 EGBERN CCc1ccc(C(=O)N2CCC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000173432532 455281768 /nfs/dbraw/zinc/28/17/68/455281768.db2.gz IYKDEOAJMSOKIZ-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000158242997 455283577 /nfs/dbraw/zinc/28/35/77/455283577.db2.gz HUJQZGHGLNVCFM-UHFFFAOYSA-N 0 0 343.368 3.059 10 5 EGBERN COc1ccc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005578237 452886988 /nfs/dbraw/zinc/88/69/88/452886988.db2.gz VIGJVXIJBLVADG-NTUHNPAUSA-N 0 0 345.336 3.002 10 5 EGBERN CCC(C)(C)[C@H](C)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600697263 460570759 /nfs/dbraw/zinc/57/07/59/460570759.db2.gz BUNQAJKOWPDJLN-GTNSWQLSSA-N 0 0 333.388 3.187 10 5 EGBERN Cc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000005970228 452913436 /nfs/dbraw/zinc/91/34/36/452913436.db2.gz AIYXYXDPZZMPNE-STQMWFEESA-N 0 0 341.367 3.043 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1C ZINC000007549272 453085438 /nfs/dbraw/zinc/08/54/38/453085438.db2.gz BRFPJVXOOGHCAT-LBPRGKRZSA-N 0 0 330.340 3.393 10 5 EGBERN Cc1sc2ncnc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000007814856 453121227 /nfs/dbraw/zinc/12/12/27/453121227.db2.gz AXWSXUZKVHSKRB-ZDUSSCGKSA-N 0 0 344.396 3.362 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000012533188 453366750 /nfs/dbraw/zinc/36/67/50/453366750.db2.gz QYNKVQKTUVOWMX-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN CN(Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015298578 453565677 /nfs/dbraw/zinc/56/56/77/453565677.db2.gz OKFWSSSUIHJLMD-UHFFFAOYSA-N 0 0 332.331 3.232 10 5 EGBERN CC(=O)N[C@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000015409877 453571853 /nfs/dbraw/zinc/57/18/53/453571853.db2.gz HBMVKHLLQWSPQK-MRXNPFEDSA-N 0 0 341.367 3.109 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600803325 460610069 /nfs/dbraw/zinc/61/00/69/460610069.db2.gz GTEAJLNCNYBCEV-YWVDXFKGSA-N 0 0 346.383 3.184 10 5 EGBERN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021092037 453671886 /nfs/dbraw/zinc/67/18/86/453671886.db2.gz PHVYUKHPUCCESS-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN CC(C)c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1Cc1ccco1 ZINC000023616883 453714066 /nfs/dbraw/zinc/71/40/66/453714066.db2.gz JRFWTCXSTNVSKN-UHFFFAOYSA-N 0 0 345.384 3.497 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)cn2)C[C@@H](C)O1 ZINC000066410789 453842511 /nfs/dbraw/zinc/84/25/11/453842511.db2.gz SBMRQLXSOFQROZ-VXGBXAGGSA-N 0 0 348.428 3.277 10 5 EGBERN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000032863051 453894244 /nfs/dbraw/zinc/89/42/44/453894244.db2.gz BCORIDAMNPGEMT-GFCCVEGCSA-N 0 0 346.362 3.206 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000054586839 453936630 /nfs/dbraw/zinc/93/66/30/453936630.db2.gz TWPMLMRWFYOJLF-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067504435 453936572 /nfs/dbraw/zinc/93/65/72/453936572.db2.gz ZITNOUWIGSDCPL-LSDHHAIUSA-N 0 0 326.352 3.279 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067504431 453936811 /nfs/dbraw/zinc/93/68/11/453936811.db2.gz ZITNOUWIGSDCPL-HUUCEWRRSA-N 0 0 326.352 3.279 10 5 EGBERN COc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000067536839 453940425 /nfs/dbraw/zinc/94/04/25/453940425.db2.gz CUOOPMLYMZMZIY-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000076008706 453948814 /nfs/dbraw/zinc/94/88/14/453948814.db2.gz VZPGJLGHUDLMPP-LBPRGKRZSA-N 0 0 341.433 3.145 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCc1ccc(F)cc1 ZINC000055023043 453956731 /nfs/dbraw/zinc/95/67/31/453956731.db2.gz HFVYVIVSRYHTPX-UHFFFAOYSA-N 0 0 345.374 3.155 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(SC)cc2)c1 ZINC000067753850 453963365 /nfs/dbraw/zinc/96/33/65/453963365.db2.gz QGIRETYJLMAMFB-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000067913167 453979996 /nfs/dbraw/zinc/97/99/96/453979996.db2.gz MMQFLUPXEVHQSO-VXGBXAGGSA-N 0 0 348.428 3.277 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000067938547 453982345 /nfs/dbraw/zinc/98/23/45/453982345.db2.gz WZTXZENGVJQRHZ-SECBINFHSA-N 0 0 330.369 3.332 10 5 EGBERN CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000055835425 454018078 /nfs/dbraw/zinc/01/80/78/454018078.db2.gz UDOZNHDZBLVZAV-UHFFFAOYSA-N 0 0 347.396 3.357 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000085333769 454022826 /nfs/dbraw/zinc/02/28/26/454022826.db2.gz NNPAZAORSOSARV-LLVKDONJSA-N 0 0 325.390 3.091 10 5 EGBERN COc1ccc(C(=O)N2CC(Cc3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000085478445 454031643 /nfs/dbraw/zinc/03/16/43/454031643.db2.gz PWYWRKILOSLFLF-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN Cc1csc([C@@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n1 ZINC000068907545 454064432 /nfs/dbraw/zinc/06/44/32/454064432.db2.gz QEHIPDCKBUODTP-SNVBAGLBSA-N 0 0 346.412 3.425 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077294706 454087241 /nfs/dbraw/zinc/08/72/41/454087241.db2.gz PYFIMQSDEIOVLH-HNNXBMFYSA-N 0 0 330.315 3.214 10 5 EGBERN Nc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000056981238 454093790 /nfs/dbraw/zinc/09/37/90/454093790.db2.gz RFZBUQIXZJZBKO-HNNXBMFYSA-N 0 0 343.358 3.163 10 5 EGBERN Cc1sc(C(=O)Nc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000044541396 454106144 /nfs/dbraw/zinc/10/61/44/454106144.db2.gz GRDRTCBZPHLTRB-UHFFFAOYSA-N 0 0 332.385 3.212 10 5 EGBERN COc1ccc(CN(C)[C@H](C)c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000069580621 454121461 /nfs/dbraw/zinc/12/14/61/454121461.db2.gz GYPIDUSGZLBUHA-LLVKDONJSA-N 0 0 334.376 3.303 10 5 EGBERN Cc1nn([C@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1[N+](=O)[O-] ZINC000069780613 454144318 /nfs/dbraw/zinc/14/43/18/454144318.db2.gz BLALABZDZZRWMS-ZDUSSCGKSA-N 0 0 334.763 3.040 10 5 EGBERN CC(C)C1CCC2(CC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000057948227 454158158 /nfs/dbraw/zinc/15/81/58/454158158.db2.gz UGNUYJDBBZSDDL-UHFFFAOYSA-N 0 0 345.399 3.232 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000089601665 454166274 /nfs/dbraw/zinc/16/62/74/454166274.db2.gz DGXOUVQYIBMHDL-INIZCTEOSA-N 0 0 348.330 3.026 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000130419123 454196758 /nfs/dbraw/zinc/19/67/58/454196758.db2.gz XGBSCFUTZHCNQN-GFCCVEGCSA-N 0 0 330.369 3.414 10 5 EGBERN O=[N+]([O-])c1cc(CSC[C@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000058427714 454202650 /nfs/dbraw/zinc/20/26/50/454202650.db2.gz KZNBFIZUGOZUDQ-INIZCTEOSA-N 0 0 347.392 3.428 10 5 EGBERN CCOc1c(Cl)cccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058441762 454204379 /nfs/dbraw/zinc/20/43/79/454204379.db2.gz NDSPIBDNQMTIMC-UHFFFAOYSA-N 0 0 349.774 3.358 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000089955595 454247069 /nfs/dbraw/zinc/24/70/69/454247069.db2.gz XQKCMFNMTRWHBD-MRXNPFEDSA-N 0 0 339.395 3.400 10 5 EGBERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000058983815 454250471 /nfs/dbraw/zinc/25/04/71/454250471.db2.gz ZCKBTHMKPXFTRN-INIZCTEOSA-N 0 0 340.379 3.451 10 5 EGBERN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000072022845 454268261 /nfs/dbraw/zinc/26/82/61/454268261.db2.gz LSMMTBAGQAIYCJ-ZDUSSCGKSA-N 0 0 344.415 3.356 10 5 EGBERN Cc1c(Br)c(N2CC[C@H](C)[C@H](F)C2)ncc1[N+](=O)[O-] ZINC000612449945 460631154 /nfs/dbraw/zinc/63/11/54/460631154.db2.gz PRDKJSUIOSFPFM-IONNQARKSA-N 0 0 332.173 3.245 10 5 EGBERN Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] ZINC000060211234 454273209 /nfs/dbraw/zinc/27/32/09/454273209.db2.gz UOGPCDADZSVTPN-UHFFFAOYSA-N 0 0 344.758 3.118 10 5 EGBERN NC(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090094280 454278845 /nfs/dbraw/zinc/27/88/45/454278845.db2.gz CKPOISVOHCDHTF-UONOGXRCSA-N 0 0 340.383 3.113 10 5 EGBERN CC[C@H](NC(=O)CCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000090466421 454309774 /nfs/dbraw/zinc/30/97/74/454309774.db2.gz KEHSFHVDSHCDJM-AWEZNQCLSA-N 0 0 346.387 3.301 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090621249 454330031 /nfs/dbraw/zinc/33/00/31/454330031.db2.gz IKFPFCBSIWEGOS-HRCADAONSA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000090621245 454330254 /nfs/dbraw/zinc/33/02/54/454330254.db2.gz IKFPFCBSIWEGOS-XHSDSOJGSA-N 0 0 335.404 3.303 10 5 EGBERN Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000072842166 454350821 /nfs/dbraw/zinc/35/08/21/454350821.db2.gz RPUAAGLBTXYIJF-MRVPVSSYSA-N 0 0 328.328 3.172 10 5 EGBERN COc1ccc(C(=O)COc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047355627 454362661 /nfs/dbraw/zinc/36/26/61/454362661.db2.gz HHYXRJJEQLYLRK-UHFFFAOYSA-N 0 0 331.324 3.182 10 5 EGBERN O=C(NCc1cccc(-c2ccccn2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000097080994 454401564 /nfs/dbraw/zinc/40/15/64/454401564.db2.gz JOAHTUNWSMLKAJ-UHFFFAOYSA-N 0 0 349.350 3.374 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000133412884 454423022 /nfs/dbraw/zinc/42/30/22/454423022.db2.gz QIQHJKWSMWZDST-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN COc1cc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)ccn1 ZINC000073340743 454424411 /nfs/dbraw/zinc/42/44/11/454424411.db2.gz ITOLQFHPDQUIMZ-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000091477778 454439797 /nfs/dbraw/zinc/43/97/97/454439797.db2.gz MXKWYJXLWRUDLU-HNNXBMFYSA-N 0 0 327.388 3.254 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000073513183 454444271 /nfs/dbraw/zinc/44/42/71/454444271.db2.gz DJBBOQYQSLXHTG-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN CN(C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000121544855 454449831 /nfs/dbraw/zinc/44/98/31/454449831.db2.gz VMNMELDSTFPCHL-PBHICJAKSA-N 0 0 331.416 3.212 10 5 EGBERN CCc1nn(C)c(NCCOCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000091673405 454455752 /nfs/dbraw/zinc/45/57/52/454455752.db2.gz CIMZRIRLSGABLX-UHFFFAOYSA-N 0 0 338.795 3.173 10 5 EGBERN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605905 454457744 /nfs/dbraw/zinc/45/77/44/454457744.db2.gz XVRBSNAUDYFZTE-ZDUSSCGKSA-N 0 0 331.372 3.264 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000102734511 454518402 /nfs/dbraw/zinc/51/84/02/454518402.db2.gz RIYHVYLNOUFDIY-CYBMUJFWSA-N 0 0 327.384 3.394 10 5 EGBERN COc1ccc(CNc2nnc(-c3ccoc3C)o2)cc1[N+](=O)[O-] ZINC000182197366 455459037 /nfs/dbraw/zinc/45/90/37/455459037.db2.gz DSHAHCQXKZNABB-UHFFFAOYSA-N 0 0 330.300 3.167 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)cn1 ZINC000080232748 454553750 /nfs/dbraw/zinc/55/37/50/454553750.db2.gz ZKGNOIODBXTHQT-QGZVFWFLSA-N 0 0 327.384 3.218 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000122959397 454586306 /nfs/dbraw/zinc/58/63/06/454586306.db2.gz DNWNVKJHJDULAN-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN COc1ccc(Oc2cc(OC)cc(F)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000092582361 454589067 /nfs/dbraw/zinc/58/90/67/454589067.db2.gz QXKOPZAIKKEDRG-UHFFFAOYSA-N 0 0 338.247 3.452 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2nc3ccccc3[nH]2)c1 ZINC000092583594 454589401 /nfs/dbraw/zinc/58/94/01/454589401.db2.gz BPRYQTPNYZJSSH-UHFFFAOYSA-N 0 0 330.319 3.273 10 5 EGBERN COC(=O)c1cc(N[C@@H]2COc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000092684703 454609919 /nfs/dbraw/zinc/60/99/19/454609919.db2.gz UZNUHSRIELGNKL-CQSZACIVSA-N 0 0 328.324 3.235 10 5 EGBERN O=C(CSc1ncccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000065693028 454611543 /nfs/dbraw/zinc/61/15/43/454611543.db2.gz GNLFCWXOSJFJGU-UHFFFAOYSA-N 0 0 346.364 3.126 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000074659837 454614978 /nfs/dbraw/zinc/61/49/78/454614978.db2.gz NJJBHVBONQXVOZ-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN CCN(Cc1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000256 454648736 /nfs/dbraw/zinc/64/87/36/454648736.db2.gz FDYAJZWNFQZOJM-UHFFFAOYSA-N 0 0 340.426 3.176 10 5 EGBERN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001329 454648839 /nfs/dbraw/zinc/64/88/39/454648839.db2.gz AEUPJSBADFJJPR-UHFFFAOYSA-N 0 0 340.426 3.488 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000105858261 454659689 /nfs/dbraw/zinc/65/96/89/454659689.db2.gz JMAYYPIFIHZIJE-ZDUSSCGKSA-N 0 0 348.790 3.230 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000080977770 454664714 /nfs/dbraw/zinc/66/47/14/454664714.db2.gz ZTQKDLDNACPMRQ-UHFFFAOYSA-N 0 0 337.763 3.004 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897978 454666288 /nfs/dbraw/zinc/66/62/88/454666288.db2.gz DDKURIYSXKMMJR-CYBMUJFWSA-N 0 0 332.379 3.330 10 5 EGBERN O=[N+]([O-])c1cc(F)cc(OCc2noc(Cc3ccccc3)n2)c1 ZINC000135347707 454667465 /nfs/dbraw/zinc/66/74/65/454667465.db2.gz FCGKYEMUAJGIPL-UHFFFAOYSA-N 0 0 329.287 3.287 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000161552453 454702505 /nfs/dbraw/zinc/70/25/05/454702505.db2.gz VJYDWOSYWXGOOE-UHFFFAOYSA-N 0 0 338.323 3.287 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000161563155 454703791 /nfs/dbraw/zinc/70/37/91/454703791.db2.gz RQVFKBLPKQLDDB-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN COCCC(C)(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161868581 454730683 /nfs/dbraw/zinc/73/06/83/454730683.db2.gz HTPWHXDGELKHEA-UHFFFAOYSA-N 0 0 331.372 3.453 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000153113680 454762345 /nfs/dbraw/zinc/76/23/45/454762345.db2.gz LVCIRTHQFQMDPQ-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000140434363 454820912 /nfs/dbraw/zinc/82/09/12/454820912.db2.gz HRNCLBUTDQZVLH-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000153779847 454832321 /nfs/dbraw/zinc/83/23/21/454832321.db2.gz GXRPGIZTZHVTEF-UHFFFAOYSA-N 0 0 340.217 3.335 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1noc(-c2ccccc2)n1 ZINC000177285041 454846134 /nfs/dbraw/zinc/84/61/34/454846134.db2.gz ULFYBCKAGQNNKH-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000145178642 454852748 /nfs/dbraw/zinc/85/27/48/454852748.db2.gz DQCGEHSCZPZDBR-UHFFFAOYSA-N 0 0 329.331 3.247 10 5 EGBERN Cc1nc(I)cn1-c1ccc([N+](=O)[O-])c(C)c1 ZINC000165333428 454898689 /nfs/dbraw/zinc/89/86/89/454898689.db2.gz OSUPUKLGGJXZLD-UHFFFAOYSA-N 0 0 343.124 3.002 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000177967814 454923460 /nfs/dbraw/zinc/92/34/60/454923460.db2.gz MQFPHYGSRXORGB-OAHLLOKOSA-N 0 0 333.775 3.297 10 5 EGBERN CN(Cc1ccc(N)nc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000127109526 454939122 /nfs/dbraw/zinc/93/91/22/454939122.db2.gz CVEPPVDQKICHIJ-UHFFFAOYSA-N 0 0 335.367 3.270 10 5 EGBERN Cc1c(CC(=O)N[C@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000178736077 454970761 /nfs/dbraw/zinc/97/07/61/454970761.db2.gz GYPGCIHVFJAWCR-CQSZACIVSA-N 0 0 342.395 3.167 10 5 EGBERN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115472607 455017908 /nfs/dbraw/zinc/01/79/08/455017908.db2.gz BRVOYMKYUXHKEQ-CYBMUJFWSA-N 0 0 328.372 3.011 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000171038421 455019311 /nfs/dbraw/zinc/01/93/11/455019311.db2.gz NQYSENAXTUWHRB-HNNXBMFYSA-N 0 0 347.371 3.035 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000116072720 455041664 /nfs/dbraw/zinc/04/16/64/455041664.db2.gz QOEZXTPPRSOPOB-UHFFFAOYSA-N 0 0 340.379 3.235 10 5 EGBERN CCOc1ccc(C(=O)N(C)Cc2scnc2C)cc1[N+](=O)[O-] ZINC000171687868 455086402 /nfs/dbraw/zinc/08/64/02/455086402.db2.gz IUMAJHXFGDUQLW-UHFFFAOYSA-N 0 0 335.385 3.031 10 5 EGBERN COc1cc(CN2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000171696083 455086985 /nfs/dbraw/zinc/08/69/85/455086985.db2.gz VNJHPDMUYDZXQC-VIFPVBQESA-N 0 0 348.371 3.142 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CO2 ZINC000156152153 455087868 /nfs/dbraw/zinc/08/78/68/455087868.db2.gz KLCPPPIFTMDQPA-MRXNPFEDSA-N 0 0 337.335 3.248 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000117632934 455089816 /nfs/dbraw/zinc/08/98/16/455089816.db2.gz XCYKOEOYPPZEOP-CQSZACIVSA-N 0 0 326.352 3.167 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000129066053 455096570 /nfs/dbraw/zinc/09/65/70/455096570.db2.gz RQXCGNTUEXQJJF-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000152373387 455109289 /nfs/dbraw/zinc/10/92/89/455109289.db2.gz RUVHYJXTAJNSES-HNNXBMFYSA-N 0 0 331.416 3.496 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000152576893 455138142 /nfs/dbraw/zinc/13/81/42/455138142.db2.gz MRTADDOTVHJCCA-DZGCQCFKSA-N 0 0 332.306 3.293 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156751043 455148437 /nfs/dbraw/zinc/14/84/37/455148437.db2.gz QACAJPIKWLHIMG-ZDUSSCGKSA-N 0 0 338.379 3.288 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172688635 455172585 /nfs/dbraw/zinc/17/25/85/455172585.db2.gz SIVLXJQTPNVIOU-GJZGRUSLSA-N 0 0 340.335 3.108 10 5 EGBERN CS(=O)(=O)c1ccc(N2CC3(CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC000265787697 455382061 /nfs/dbraw/zinc/38/20/61/455382061.db2.gz HBPOHPXLWSCXNN-UHFFFAOYSA-N 0 0 344.392 3.182 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCc1ccccn1 ZINC000184479393 455387565 /nfs/dbraw/zinc/38/75/65/455387565.db2.gz WGLBRMUBJICACH-UHFFFAOYSA-N 0 0 328.372 3.361 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000184510659 455393316 /nfs/dbraw/zinc/39/33/16/455393316.db2.gz JYJSYCIDZITJRI-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN COc1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000174533258 455401165 /nfs/dbraw/zinc/40/11/65/455401165.db2.gz QJUGTBAHHUOFIO-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601002294 460671518 /nfs/dbraw/zinc/67/15/18/460671518.db2.gz MICINULMEMIMCV-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000175121418 455422593 /nfs/dbraw/zinc/42/25/93/455422593.db2.gz OZNNRSZDYVETNL-CABCVRRESA-N 0 0 345.443 3.458 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2nccs2)C1 ZINC000175219704 455427484 /nfs/dbraw/zinc/42/74/84/455427484.db2.gz WSFIIYCZXRVPFO-HNNXBMFYSA-N 0 0 349.412 3.024 10 5 EGBERN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000182282547 455479421 /nfs/dbraw/zinc/47/94/21/455479421.db2.gz HYJINZQCOKGZME-UHFFFAOYSA-N 0 0 333.731 3.407 10 5 EGBERN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000175695433 455483176 /nfs/dbraw/zinc/48/31/76/455483176.db2.gz HZECLWXPXYKHGO-JKSUJKDBSA-N 0 0 349.431 3.354 10 5 EGBERN CCN(Cc1ccccc1Cl)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191503361 455492016 /nfs/dbraw/zinc/49/20/16/455492016.db2.gz BXKKELHFIQFIIN-UHFFFAOYSA-N 0 0 336.779 3.127 10 5 EGBERN CCC[C@@H](CCc1ccccc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191634007 455505431 /nfs/dbraw/zinc/50/54/31/455505431.db2.gz JFRGACRUCJMCOO-HNNXBMFYSA-N 0 0 344.415 3.343 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2-c2ccccc2)n1 ZINC000191687845 455510272 /nfs/dbraw/zinc/51/02/72/455510272.db2.gz ANNMBVNMLJSUGN-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN CC(C)CCOc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271359063 455610255 /nfs/dbraw/zinc/61/02/55/455610255.db2.gz GBIVXSLQZJIPAJ-UHFFFAOYSA-N 0 0 332.360 3.006 10 5 EGBERN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC000271450001 455641550 /nfs/dbraw/zinc/64/15/50/455641550.db2.gz VLTCPLZJJSLTFP-CQSZACIVSA-N 0 0 330.388 3.332 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000292548365 455693038 /nfs/dbraw/zinc/69/30/38/455693038.db2.gz NAHRCRIQWSEOGI-TZMCWYRMSA-N 0 0 336.413 3.138 10 5 EGBERN O=C(NC[C@@H]1CCCCO1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277936071 455714124 /nfs/dbraw/zinc/71/41/24/455714124.db2.gz RIJFZHKJWROUQH-ZDUSSCGKSA-N 0 0 336.391 3.393 10 5 EGBERN Cc1ccc(-c2noc([C@@H]3CCCc4n[nH]cc43)n2)cc1[N+](=O)[O-] ZINC000278127065 455765298 /nfs/dbraw/zinc/76/52/98/455765298.db2.gz PKUFEHGPKFMXQU-LLVKDONJSA-N 0 0 325.328 3.145 10 5 EGBERN CO[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000251436007 455790594 /nfs/dbraw/zinc/79/05/94/455790594.db2.gz AVDYPZLVFIXKGJ-MLGOLLRUSA-N 0 0 331.372 3.107 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H](C(=O)OC)c1ccccc1 ZINC000269326501 455835540 /nfs/dbraw/zinc/83/55/40/455835540.db2.gz GZEXEWOTJDSDOP-INIZCTEOSA-N 0 0 344.367 3.110 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000269331361 455836608 /nfs/dbraw/zinc/83/66/08/455836608.db2.gz FLBVSODXYHWESA-UHFFFAOYSA-N 0 0 328.372 3.117 10 5 EGBERN COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194584272 455860916 /nfs/dbraw/zinc/86/09/16/455860916.db2.gz YTQFPAPUFDTQRK-UHFFFAOYSA-N 0 0 343.383 3.012 10 5 EGBERN Cc1nc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)s1 ZINC000272205212 455875433 /nfs/dbraw/zinc/87/54/33/455875433.db2.gz ZDYXNVSJTKFQPA-UHFFFAOYSA-N 0 0 339.804 3.294 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285635423 455886377 /nfs/dbraw/zinc/88/63/77/455886377.db2.gz BHIGOXDLRBLFPS-JGJWRRPTSA-N 0 0 330.384 3.168 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)c2cc(F)ccc2F)c1 ZINC000270153152 455889539 /nfs/dbraw/zinc/88/95/39/455889539.db2.gz SBEKZLZDBKDNCB-HNNXBMFYSA-N 0 0 338.310 3.051 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1 ZINC000195111640 455921714 /nfs/dbraw/zinc/92/17/14/455921714.db2.gz CXKGSEJFWAIIJH-KRWDZBQOSA-N 0 0 343.383 3.434 10 5 EGBERN Cc1c(NC(=O)COC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280431065 455969958 /nfs/dbraw/zinc/96/99/58/455969958.db2.gz BGWKDYJSGQQDGQ-UHFFFAOYSA-N 0 0 331.166 3.029 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3nccs3)C2)c(Cl)c1 ZINC000195521151 455978016 /nfs/dbraw/zinc/97/80/16/455978016.db2.gz UOONOBNZEQFODL-LBPRGKRZSA-N 0 0 325.777 3.283 10 5 EGBERN CCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000198603859 456008929 /nfs/dbraw/zinc/00/89/29/456008929.db2.gz BACQYMBAESIMIC-UHFFFAOYSA-N 0 0 340.379 3.455 10 5 EGBERN CC1CCN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601104713 460712395 /nfs/dbraw/zinc/71/23/95/460712395.db2.gz DNALDYGTWIBTMB-UHFFFAOYSA-N 0 0 345.378 3.372 10 5 EGBERN CCOc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000601108175 460713599 /nfs/dbraw/zinc/71/35/99/460713599.db2.gz HPZINALTYSMPHN-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301275317 456078352 /nfs/dbraw/zinc/07/83/52/456078352.db2.gz RSWYSXJBDMQCEF-DIFFPNOSSA-N 0 0 346.408 3.344 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000296986753 456084036 /nfs/dbraw/zinc/08/40/36/456084036.db2.gz QWJSSHZNYCPIJC-YUMQZZPRSA-N 0 0 349.284 3.119 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270981903 456086782 /nfs/dbraw/zinc/08/67/82/456086782.db2.gz ITXULZONSOKRIW-MFKMUULPSA-N 0 0 326.418 3.288 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000297008302 456089898 /nfs/dbraw/zinc/08/98/98/456089898.db2.gz SCMBGWRNAFVSLR-ZYHUDNBSSA-N 0 0 330.306 3.327 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000188626933 456098360 /nfs/dbraw/zinc/09/83/60/456098360.db2.gz XWPXOBBXINWNRJ-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN Cc1cnc([C@@H](C)Nc2ncc(Br)cc2[N+](=O)[O-])o1 ZINC000226546845 456109909 /nfs/dbraw/zinc/10/99/09/456109909.db2.gz MYVPGLNXKBTGSI-SSDOTTSWSA-N 0 0 327.138 3.222 10 5 EGBERN CCC[C@@H]1C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301418516 456110709 /nfs/dbraw/zinc/11/07/09/456110709.db2.gz DABXSLCRFCMRMZ-KCJUWKMLSA-N 0 0 334.344 3.192 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000301464749 456121915 /nfs/dbraw/zinc/12/19/15/456121915.db2.gz WROWVURGJUTQMN-FNORWQNLSA-N 0 0 347.396 3.466 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)c2c(F)cccc2F)c1 ZINC000301470741 456123464 /nfs/dbraw/zinc/12/34/64/456123464.db2.gz JFYDWUQZXXCVKH-ZDUSSCGKSA-N 0 0 342.273 3.166 10 5 EGBERN CCOc1cc(CN2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193143 456160800 /nfs/dbraw/zinc/16/08/00/456160800.db2.gz ABVBZAZJWCKIAK-MRXNPFEDSA-N 0 0 344.415 3.454 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301633891 456169247 /nfs/dbraw/zinc/16/92/47/456169247.db2.gz DMPNFIXDQADKMH-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN COc1ccc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000301646412 456172903 /nfs/dbraw/zinc/17/29/03/456172903.db2.gz HYMQECAORZSQPD-NSHDSACASA-N 0 0 331.372 3.359 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCC(C)(F)F ZINC000297292972 456174550 /nfs/dbraw/zinc/17/45/50/456174550.db2.gz WGPUNDBSDDIJLU-UHFFFAOYSA-N 0 0 329.347 3.214 10 5 EGBERN CCc1n[nH]c(C(=O)N(CC)Cc2c[nH]c3ccccc23)c1[N+](=O)[O-] ZINC000188958408 456181467 /nfs/dbraw/zinc/18/14/67/456181467.db2.gz GNDHQZREXXWPNM-UHFFFAOYSA-N 0 0 341.371 3.024 10 5 EGBERN COC(=O)c1cc(NC[C@H](O)c2cccc(C)c2)cc(C)c1[N+](=O)[O-] ZINC000301719188 456197419 /nfs/dbraw/zinc/19/74/19/456197419.db2.gz ZFBQQOBNDGCQEL-INIZCTEOSA-N 0 0 344.367 3.144 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CCO2)c1 ZINC000301721161 456197556 /nfs/dbraw/zinc/19/75/56/456197556.db2.gz QHRPBQPSTGYMJF-SFHVURJKSA-N 0 0 328.368 3.490 10 5 EGBERN COC(=O)c1ccc(CNc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000301764117 456210004 /nfs/dbraw/zinc/21/00/04/456210004.db2.gz FJXJJGPJODPZBT-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN C[C@@H]1c2ccccc2CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601124831 460719976 /nfs/dbraw/zinc/71/99/76/460719976.db2.gz UKNWTHGAWQUDMK-MRVPVSSYSA-N 0 0 326.278 3.428 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@@H]2CCCC[C@H]2C1 ZINC000301907755 456248183 /nfs/dbraw/zinc/24/81/83/456248183.db2.gz ZXVLLVKAAGQNRH-UWVGGRQHSA-N 0 0 326.194 3.379 10 5 EGBERN COC(=O)c1cc(N2CCc3cccc(F)c3C2)cc(C)c1[N+](=O)[O-] ZINC000301913427 456249312 /nfs/dbraw/zinc/24/93/12/456249312.db2.gz COLDCHKKYRKLNL-UHFFFAOYSA-N 0 0 344.342 3.392 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(C2CC2)nc1C ZINC000281541448 456260583 /nfs/dbraw/zinc/26/05/83/456260583.db2.gz YJKXXELJNNITPO-UHFFFAOYSA-N 0 0 331.328 3.420 10 5 EGBERN COc1cc(CN(CC(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000352775166 456295680 /nfs/dbraw/zinc/29/56/80/456295680.db2.gz YEHDWQCXFGWJSE-UHFFFAOYSA-N 0 0 338.404 3.156 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000302208670 456317959 /nfs/dbraw/zinc/31/79/59/456317959.db2.gz XVCLCPCBLMTVMO-HUUCEWRRSA-N 0 0 334.372 3.141 10 5 EGBERN O=C1CCN1c1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000343045795 456369288 /nfs/dbraw/zinc/36/92/88/456369288.db2.gz OIWJPPQXXNBOIE-UHFFFAOYSA-N 0 0 341.352 3.080 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000601147284 460730893 /nfs/dbraw/zinc/73/08/93/460730893.db2.gz YHZQZENYFNWVKO-KRWDZBQOSA-N 0 0 329.331 3.155 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000337592314 456406239 /nfs/dbraw/zinc/40/62/39/456406239.db2.gz ISKJYQJVWNGLNA-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COc1cc(NCc2ccc(OC(F)F)cn2)c([N+](=O)[O-])cc1F ZINC000302836180 456413835 /nfs/dbraw/zinc/41/38/35/456413835.db2.gz WGOPSAUAWCFSTI-UHFFFAOYSA-N 0 0 343.261 3.351 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000353045346 456459486 /nfs/dbraw/zinc/45/94/86/456459486.db2.gz HJAQELJXAVNHAP-UHFFFAOYSA-N 0 0 347.415 3.252 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1CC(=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000353064479 456469582 /nfs/dbraw/zinc/46/95/82/456469582.db2.gz XKQIHEPDKZGWAM-GFCCVEGCSA-N 0 0 338.363 3.144 10 5 EGBERN O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000303593053 456470315 /nfs/dbraw/zinc/47/03/15/456470315.db2.gz SQBNKNFMCDPXFR-OAHLLOKOSA-N 0 0 329.331 3.341 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276571194 456520140 /nfs/dbraw/zinc/52/01/40/456520140.db2.gz KMJXHRSVTWQAIP-LLVKDONJSA-N 0 0 326.780 3.055 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000338055834 456657092 /nfs/dbraw/zinc/65/70/92/456657092.db2.gz XUDHXJUACAUQOT-AWEZNQCLSA-N 0 0 330.315 3.160 10 5 EGBERN C[C@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348424976 456683500 /nfs/dbraw/zinc/68/35/00/456683500.db2.gz SYRNHRADWGAKFW-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000291661520 456712315 /nfs/dbraw/zinc/71/23/15/456712315.db2.gz FSKZFMYHXXZUPH-UHFFFAOYSA-N 0 0 345.359 3.248 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000277285447 456760745 /nfs/dbraw/zinc/76/07/45/456760745.db2.gz RTYBIMMOEJMOKH-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN CC(C)N(Cc1ccco1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000340928969 456767447 /nfs/dbraw/zinc/76/74/47/456767447.db2.gz ZAUZVTSDQKJCQW-UHFFFAOYSA-N 0 0 338.310 3.446 10 5 EGBERN Cc1cnc(N2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000343906422 456782851 /nfs/dbraw/zinc/78/28/51/456782851.db2.gz FFCPPCCVDONCDA-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN CC(C)Oc1ncccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000340972467 456791490 /nfs/dbraw/zinc/79/14/90/456791490.db2.gz LPVOSMLHJPJLEL-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cccc(Cl)c3)cc2N1 ZINC000301138125 456804702 /nfs/dbraw/zinc/80/47/02/456804702.db2.gz DZCZEZOAYVBLBS-UHFFFAOYSA-N 0 0 333.731 3.191 10 5 EGBERN COC(=O)c1cc(N2CC[C@]3(C)[C@H](C2)C3(F)F)cc(C)c1[N+](=O)[O-] ZINC000291945364 456806743 /nfs/dbraw/zinc/80/67/43/456806743.db2.gz NDRIGLZNJIQRIH-SWLSCSKDSA-N 0 0 340.326 3.171 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000277399651 456810328 /nfs/dbraw/zinc/81/03/28/456810328.db2.gz JSRBCSDMOHTESO-JTQLQIEISA-N 0 0 346.305 3.326 10 5 EGBERN C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC000341311899 456841897 /nfs/dbraw/zinc/84/18/97/456841897.db2.gz WRLICHDVFCQHJY-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000348812850 456866685 /nfs/dbraw/zinc/86/66/85/456866685.db2.gz QKUQJJSAIODQDC-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN CCc1ccc([C@@H]2CCN(C(=O)c3nn(CC)cc3[N+](=O)[O-])C2)cc1 ZINC000348843756 456882039 /nfs/dbraw/zinc/88/20/39/456882039.db2.gz PNOJREDBJKEDOT-OAHLLOKOSA-N 0 0 342.399 3.003 10 5 EGBERN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341717472 456912124 /nfs/dbraw/zinc/91/21/24/456912124.db2.gz DIWQDQCKBIWXFX-UHFFFAOYSA-N 0 0 344.415 3.424 10 5 EGBERN O=C(Cc1ccco1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341724073 456916220 /nfs/dbraw/zinc/91/62/20/456916220.db2.gz WQABRIJNEPSEGT-UHFFFAOYSA-N 0 0 325.118 3.132 10 5 EGBERN COC1(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000341730659 456918756 /nfs/dbraw/zinc/91/87/56/456918756.db2.gz IFTDXIVDGCEFHK-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN COCCC[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341732392 456919343 /nfs/dbraw/zinc/91/93/43/456919343.db2.gz WUUDAMXSXHJTEB-SECBINFHSA-N 0 0 345.193 3.359 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000341733893 456920369 /nfs/dbraw/zinc/92/03/69/456920369.db2.gz ZVOVSDNWUXHIGK-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CC(C)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000353841122 456931478 /nfs/dbraw/zinc/93/14/78/456931478.db2.gz IYOMQVHXVQTTEQ-UHFFFAOYSA-N 0 0 332.356 3.371 10 5 EGBERN C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000341771782 456936385 /nfs/dbraw/zinc/93/63/85/456936385.db2.gz MCFCFUCQLOYRKW-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000345142355 456940365 /nfs/dbraw/zinc/94/03/65/456940365.db2.gz AGSKFVIWRFJCHA-ZDUSSCGKSA-N 0 0 345.399 3.355 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000341818595 456957639 /nfs/dbraw/zinc/95/76/39/456957639.db2.gz WAWJPVFMCVVZKY-GFCCVEGCSA-N 0 0 334.763 3.052 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000349388098 456960876 /nfs/dbraw/zinc/96/08/76/456960876.db2.gz UOELNPUWNKCUQR-LURJTMIESA-N 0 0 329.143 3.116 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1ccsc1 ZINC000353910580 456962397 /nfs/dbraw/zinc/96/23/97/456962397.db2.gz DHLKVQNALXBVGI-CQSZACIVSA-N 0 0 335.385 3.074 10 5 EGBERN CCSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000349584261 456991544 /nfs/dbraw/zinc/99/15/44/456991544.db2.gz SFLOLGCHBNBPED-GFCCVEGCSA-N 0 0 349.460 3.358 10 5 EGBERN O=C(Nc1ccc2c[nH]nc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358893869 457026993 /nfs/dbraw/zinc/02/69/93/457026993.db2.gz COEQEACUYSRSJQ-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN Cc1c(CNC(=O)N[C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000359257374 457069207 /nfs/dbraw/zinc/06/92/07/457069207.db2.gz ZSIFWWLEPJRVNI-KRWDZBQOSA-N 0 0 340.383 3.249 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342056684 457083438 /nfs/dbraw/zinc/08/34/38/457083438.db2.gz BXRRQCPKKXKDIF-NSHDSACASA-N 0 0 332.331 3.143 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1Cc2ccccc2C1 ZINC000346645739 457089202 /nfs/dbraw/zinc/08/92/02/457089202.db2.gz CCGKDLRIUCLLAL-UHFFFAOYSA-N 0 0 347.374 3.382 10 5 EGBERN CC[C@@H](NC(=O)N1CCCCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000354144610 457091506 /nfs/dbraw/zinc/09/15/06/457091506.db2.gz UTGLZJHHBIJGHN-DOTOQJQBSA-N 0 0 349.431 3.383 10 5 EGBERN C[C@@H](F)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000356702019 457123765 /nfs/dbraw/zinc/12/37/65/457123765.db2.gz MOAHFWDEZWNSRO-CYBMUJFWSA-N 0 0 326.371 3.019 10 5 EGBERN CC[C@@]1(C)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331155846 457139640 /nfs/dbraw/zinc/13/96/40/457139640.db2.gz VPKLKKUDSNUBHZ-INIZCTEOSA-N 0 0 326.343 3.454 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCC[C@H]1CCO ZINC000356733390 457140201 /nfs/dbraw/zinc/14/02/01/457140201.db2.gz BBLRJSZCESFPFU-NSHDSACASA-N 0 0 326.780 3.015 10 5 EGBERN O=C1COc2c(NCc3csc([N+](=O)[O-])c3)cc(Cl)cc2N1 ZINC000342176901 457151732 /nfs/dbraw/zinc/15/17/32/457151732.db2.gz RGGNZPIMULTUBW-UHFFFAOYSA-N 0 0 339.760 3.253 10 5 EGBERN CCCOc1ncccc1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360144038 457272937 /nfs/dbraw/zinc/27/29/37/457272937.db2.gz LQOLXLOMHCRMEX-UHFFFAOYSA-N 0 0 345.355 3.177 10 5 EGBERN COc1cc(N2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000360245438 457298889 /nfs/dbraw/zinc/29/88/89/457298889.db2.gz ONBIYWBRDIJWGE-UHFFFAOYSA-N 0 0 344.342 3.500 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@H]2c2noc(C)n2)cc1[N+](=O)[O-] ZINC000363348605 457301603 /nfs/dbraw/zinc/30/16/03/457301603.db2.gz IBGOFOZDCFNPAV-AWEZNQCLSA-N 0 0 344.371 3.216 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1SCc1ccccc1C1CC1 ZINC000342461721 457316187 /nfs/dbraw/zinc/31/61/87/457316187.db2.gz XCNVZJVWEPLAEJ-UHFFFAOYSA-N 0 0 329.381 3.258 10 5 EGBERN C[C@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCOC1 ZINC000347269473 457321621 /nfs/dbraw/zinc/32/16/21/457321621.db2.gz SWEMNUKHJSTPCB-ZDUSSCGKSA-N 0 0 343.177 3.113 10 5 EGBERN Cc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C1CC1 ZINC000351957497 457324978 /nfs/dbraw/zinc/32/49/78/457324978.db2.gz REZGMYOVSJQOJR-KRWDZBQOSA-N 0 0 325.368 3.488 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000360733825 457329982 /nfs/dbraw/zinc/32/99/82/457329982.db2.gz WRFAHZKZIFWQKJ-UHFFFAOYSA-N 0 0 338.363 3.296 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000357189214 457366632 /nfs/dbraw/zinc/36/66/32/457366632.db2.gz TXBYKGLSHLUVII-ZFWWWQNUSA-N 0 0 340.383 3.227 10 5 EGBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000424986382 457396747 /nfs/dbraw/zinc/39/67/47/457396747.db2.gz XNLKPFDSYLXLAE-MJQMVNBJSA-N 0 0 340.354 3.452 10 5 EGBERN CNc1c(C(=O)NCCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000360930629 457440816 /nfs/dbraw/zinc/44/08/16/457440816.db2.gz JKNFUHUUZFZDAR-UHFFFAOYSA-N 0 0 346.362 3.008 10 5 EGBERN COc1cc(CN2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544611 457454914 /nfs/dbraw/zinc/45/49/14/457454914.db2.gz BKYUTKWXHLKATI-INIZCTEOSA-N 0 0 334.397 3.238 10 5 EGBERN O=c1c2ccccc2n(Cc2nc(-c3ccon3)no2)c2ccccc12 ZINC000357340180 457459024 /nfs/dbraw/zinc/45/90/24/457459024.db2.gz MFOFXVAEAGPPMK-UHFFFAOYSA-N 0 0 344.330 3.241 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000360961569 457469116 /nfs/dbraw/zinc/46/91/16/457469116.db2.gz SDQWJTHEZVHWKC-DOMZBBRYSA-N 0 0 330.388 3.086 10 5 EGBERN Cc1cc(N2CC(CC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425275573 457479595 /nfs/dbraw/zinc/47/95/95/457479595.db2.gz AXEDIVCJDAELPC-UHFFFAOYSA-N 0 0 334.326 3.452 10 5 EGBERN CCc1noc(COc2ccc(Oc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000360992059 457494971 /nfs/dbraw/zinc/49/49/71/457494971.db2.gz YIVHRNKZZFNGJT-UHFFFAOYSA-N 0 0 342.311 3.307 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000360997145 457498284 /nfs/dbraw/zinc/49/82/84/457498284.db2.gz SAVMEJPJLBNBHR-CABZTGNLSA-N 0 0 331.294 3.101 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H]1C ZINC000361063723 457558500 /nfs/dbraw/zinc/55/85/00/457558500.db2.gz UXMHAHHVVQUOER-QWHCGFSZSA-N 0 0 325.368 3.499 10 5 EGBERN CCOc1cc(NC(=O)N[C@H]2CC23CC3)c([N+](=O)[O-])cc1OCC ZINC000425606704 457610810 /nfs/dbraw/zinc/61/08/10/457610810.db2.gz IYNGZVLSMUHOMA-AWEZNQCLSA-N 0 0 335.360 3.066 10 5 EGBERN Cc1ccc(-c2ccc(C)c(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)o1 ZINC000357594079 457611624 /nfs/dbraw/zinc/61/16/24/457611624.db2.gz FXFGCHKGYSKJTD-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN CC[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000361177826 457631581 /nfs/dbraw/zinc/63/15/81/457631581.db2.gz LTJSLALPPUKISH-JTQLQIEISA-N 0 0 334.405 3.218 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ncccc2-n2cccn2)no1 ZINC000361193960 457640540 /nfs/dbraw/zinc/64/05/40/457640540.db2.gz MKCRYBUTNZHJMK-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)c2c(F)cccc2OC)cccc1[N+](=O)[O-] ZINC000361213211 457648247 /nfs/dbraw/zinc/64/82/47/457648247.db2.gz QCKKQHQSKTXPPF-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN COCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[C@@H](C)C1 ZINC000361247527 457665523 /nfs/dbraw/zinc/66/55/23/457665523.db2.gz XLYLXTLGZWCCRF-OLZOCXBDSA-N 0 0 345.399 3.353 10 5 EGBERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587721 457678319 /nfs/dbraw/zinc/67/83/19/457678319.db2.gz IZGMDSWCBQKFIO-MEDUHNTESA-N 0 0 329.331 3.352 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374695074 457688943 /nfs/dbraw/zinc/68/89/43/457688943.db2.gz RMFQPFGRQPSRSI-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Cc2ccncc2)C1 ZINC000374700053 457690267 /nfs/dbraw/zinc/69/02/67/457690267.db2.gz MQDSKUMEQAGAPU-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000357791922 457691648 /nfs/dbraw/zinc/69/16/48/457691648.db2.gz CKXRPFNPKZZPDC-JTQLQIEISA-N 0 0 331.376 3.136 10 5 EGBERN Cc1ccncc1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000357837599 457707177 /nfs/dbraw/zinc/70/71/77/457707177.db2.gz VFYVNCASPKIRBH-UHFFFAOYSA-N 0 0 336.351 3.119 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374824279 457713465 /nfs/dbraw/zinc/71/34/65/457713465.db2.gz VUSIHNBNWDOPLO-CQSZACIVSA-N 0 0 331.397 3.476 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000410739662 457748955 /nfs/dbraw/zinc/74/89/55/457748955.db2.gz JQQGYNMBQYJGJB-BBBLOLIVSA-N 0 0 346.305 3.252 10 5 EGBERN CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361508524 457760277 /nfs/dbraw/zinc/76/02/77/457760277.db2.gz NBDLKSFYNYAXMI-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC1(C)C ZINC000411023972 457779813 /nfs/dbraw/zinc/77/98/13/457779813.db2.gz ARILTFGDLNJWIY-CQSZACIVSA-N 0 0 338.429 3.394 10 5 EGBERN COC[C@H]1CCCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000375137655 457806228 /nfs/dbraw/zinc/80/62/28/457806228.db2.gz VYSQZSLGWRPPRO-UKYUDJEDSA-N 0 0 332.400 3.273 10 5 EGBERN CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443759556 457810771 /nfs/dbraw/zinc/81/07/71/457810771.db2.gz PLFQSUGZYQQPLJ-HUUCEWRRSA-N 0 0 340.445 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1F ZINC000375177307 457821657 /nfs/dbraw/zinc/82/16/57/457821657.db2.gz YRZRGUXQDVKRPV-LBPRGKRZSA-N 0 0 336.363 3.074 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@]1(F)c1ccccc1 ZINC000411187735 457823803 /nfs/dbraw/zinc/82/38/03/457823803.db2.gz LBBXFOYIYMTGGR-KDOFPFPSSA-N 0 0 343.358 3.008 10 5 EGBERN CCOc1cccc(NC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000358228114 457872693 /nfs/dbraw/zinc/87/26/93/457872693.db2.gz BVWQUPQHUNCDEA-LBPRGKRZSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000444363557 457891481 /nfs/dbraw/zinc/89/14/81/457891481.db2.gz LQAIYNFLQQSXBA-UHFFFAOYSA-N 0 0 337.379 3.367 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1C ZINC000444608747 457916797 /nfs/dbraw/zinc/91/67/97/457916797.db2.gz KTUJSGCTIBQMCS-UHFFFAOYSA-N 0 0 333.319 3.194 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](C4CCC4)C3)co2)cc1 ZINC000411843890 457990772 /nfs/dbraw/zinc/99/07/72/457990772.db2.gz IRBXDJYXBSNZOT-QGZVFWFLSA-N 0 0 343.383 3.251 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCc2ccccc2C1 ZINC000444909783 457995683 /nfs/dbraw/zinc/99/56/83/457995683.db2.gz ZXLDTSQCBCUSHP-AWEZNQCLSA-N 0 0 341.367 3.282 10 5 EGBERN CC(C)C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000445179748 458023295 /nfs/dbraw/zinc/02/32/95/458023295.db2.gz JJUSQHMXIBUARS-LLVKDONJSA-N 0 0 335.385 3.274 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000362127798 458032249 /nfs/dbraw/zinc/03/22/49/458032249.db2.gz BJDYLUODOFREAJ-LBPRGKRZSA-N 0 0 349.412 3.096 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC3(CC3)CC2)c(Cl)c1 ZINC000434752915 458046399 /nfs/dbraw/zinc/04/63/99/458046399.db2.gz AJHSJQSKPIONKE-UHFFFAOYSA-N 0 0 344.820 3.249 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc(-c3ccc(OC(F)F)cn3)no2)c1 ZINC000445512990 458058909 /nfs/dbraw/zinc/05/89/09/458058909.db2.gz DNZHZOBUWWLZQT-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OC)cc1 ZINC000427983522 458061104 /nfs/dbraw/zinc/06/11/04/458061104.db2.gz LEPISJXPFDOBQM-AWEZNQCLSA-N 0 0 326.356 3.465 10 5 EGBERN CCOC(=O)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434951129 458069076 /nfs/dbraw/zinc/06/90/76/458069076.db2.gz OUQGGDGMQRZWCU-ZDUSSCGKSA-N 0 0 349.774 3.402 10 5 EGBERN CCc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000412053782 458070392 /nfs/dbraw/zinc/07/03/92/458070392.db2.gz JLAFOGHBLIKGHJ-UONOGXRCSA-N 0 0 331.397 3.034 10 5 EGBERN CO[C@](C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000362278373 458075720 /nfs/dbraw/zinc/07/57/20/458075720.db2.gz JBNFUMMHNWMIEA-ZDUSSCGKSA-N 0 0 343.177 3.111 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2csc(Br)c2)cc1CO ZINC000428092319 458078807 /nfs/dbraw/zinc/07/88/07/458078807.db2.gz PKVAHQIFUJDZPA-UHFFFAOYSA-N 0 0 344.186 3.490 10 5 EGBERN CO[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362365076 458127330 /nfs/dbraw/zinc/12/73/30/458127330.db2.gz MOGZLANNVWVBBG-KBPBESRZSA-N 0 0 331.347 3.197 10 5 EGBERN Cc1c(NC(=O)NC[C@]2(O)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000446029568 458130724 /nfs/dbraw/zinc/13/07/24/458130724.db2.gz TUAQNMKDCJIOBX-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN(c2ccccc2F)CC1 ZINC000375943298 458134618 /nfs/dbraw/zinc/13/46/18/458134618.db2.gz YWXYPIZVDMOBIL-UHFFFAOYSA-N 0 0 349.387 3.148 10 5 EGBERN Cc1ncc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000446076733 458140958 /nfs/dbraw/zinc/14/09/58/458140958.db2.gz AATDBDWMYMDURC-UHFFFAOYSA-N 0 0 330.347 3.032 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000446099825 458147971 /nfs/dbraw/zinc/14/79/71/458147971.db2.gz PEIRIEHOJZEGPR-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CC(C)Oc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000435538238 458159340 /nfs/dbraw/zinc/15/93/40/458159340.db2.gz ZXCYWUVZHHASJT-UHFFFAOYSA-N 0 0 329.356 3.049 10 5 EGBERN COCC[C@@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000412486610 458216908 /nfs/dbraw/zinc/21/69/08/458216908.db2.gz OPWSMTUUOOWDSV-CYBMUJFWSA-N 0 0 338.407 3.084 10 5 EGBERN CCOC(=O)c1sc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)nc1C ZINC000362559721 458269320 /nfs/dbraw/zinc/26/93/20/458269320.db2.gz HGTZJEXRAHWQJO-VIFPVBQESA-N 0 0 336.373 3.105 10 5 EGBERN COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429122493 458275672 /nfs/dbraw/zinc/27/56/72/458275672.db2.gz QBBRZFFLKFADIH-AWEZNQCLSA-N 0 0 328.796 3.268 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCOc4c(Cl)cccc43)nc2c1 ZINC000447680001 458328603 /nfs/dbraw/zinc/32/86/03/458328603.db2.gz PUASDRWWBCJRCC-GFCCVEGCSA-N 0 0 344.758 3.482 10 5 EGBERN CCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000447690129 458330094 /nfs/dbraw/zinc/33/00/94/458330094.db2.gz BOLLEVQSXNIDOF-UHFFFAOYSA-N 0 0 330.319 3.043 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCC1=CCCC1 ZINC000447807858 458345291 /nfs/dbraw/zinc/34/52/91/458345291.db2.gz RVLHSPJNELPTNT-UHFFFAOYSA-N 0 0 331.416 3.339 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000437250770 458438576 /nfs/dbraw/zinc/43/85/76/458438576.db2.gz YMPGKSPAZBQMRN-SNVBAGLBSA-N 0 0 348.321 3.499 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000437304947 458442382 /nfs/dbraw/zinc/44/23/82/458442382.db2.gz LNTHBGISYKXQDA-SNVBAGLBSA-N 0 0 346.836 3.366 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000430403174 458446300 /nfs/dbraw/zinc/44/63/00/458446300.db2.gz UJEMPBFENWKWAW-OCBCSQNSSA-N 0 0 340.379 3.269 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1cncn1Cc1ccccc1 ZINC000437620975 458476003 /nfs/dbraw/zinc/47/60/03/458476003.db2.gz NXRGIUCGTBVCQZ-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000431496928 458581019 /nfs/dbraw/zinc/58/10/19/458581019.db2.gz ONWCRLOXPNYTOL-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN Cc1c(CN2C(=O)N[C@@H](CCC(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000431740086 458615561 /nfs/dbraw/zinc/61/55/61/458615561.db2.gz FOKSSUVFRVUSED-ZDUSSCGKSA-N 0 0 333.388 3.150 10 5 EGBERN CCOc1cc(N2CCC(n3cncc3C)CC2)ccc1[N+](=O)[O-] ZINC000439126494 458659260 /nfs/dbraw/zinc/65/92/60/458659260.db2.gz BGWBTPYWPYYHET-UHFFFAOYSA-N 0 0 330.388 3.340 10 5 EGBERN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000432054313 458667886 /nfs/dbraw/zinc/66/78/86/458667886.db2.gz UAJHAEHNSOJXGK-CQSZACIVSA-N 0 0 343.383 3.114 10 5 EGBERN CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000439292329 458687175 /nfs/dbraw/zinc/68/71/75/458687175.db2.gz DLCHILBFYHGKTB-STQMWFEESA-N 0 0 331.759 3.410 10 5 EGBERN Nc1c(F)c(NCCc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000432162903 458692554 /nfs/dbraw/zinc/69/25/54/458692554.db2.gz OPGONZLCIWFNIO-UHFFFAOYSA-N 0 0 344.268 3.385 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](COC)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000471404043 458693056 /nfs/dbraw/zinc/69/30/56/458693056.db2.gz ATHWWDUPLYDDHN-INIZCTEOSA-N 0 0 346.358 3.414 10 5 EGBERN Cc1ncc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000439414399 458698955 /nfs/dbraw/zinc/69/89/55/458698955.db2.gz MOJRASUSPKATIW-UHFFFAOYSA-N 0 0 341.371 3.235 10 5 EGBERN CCn1c2cc(F)ccc2nc1NCc1ccc([N+](=O)[O-])cc1C ZINC000463508661 458708158 /nfs/dbraw/zinc/70/81/58/458708158.db2.gz XHMIOLPSFSBVPQ-UHFFFAOYSA-N 0 0 328.347 3.446 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000494675322 458726749 /nfs/dbraw/zinc/72/67/49/458726749.db2.gz ZMIRZXHPUSYTJM-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456699751 458756358 /nfs/dbraw/zinc/75/63/58/458756358.db2.gz SXPLYORUVXOBRO-LPHOPBHVSA-N 0 0 346.427 3.193 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000472240009 458776444 /nfs/dbraw/zinc/77/64/44/458776444.db2.gz MODSGFXGHUMANX-CYBMUJFWSA-N 0 0 326.352 3.199 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1cc(F)cc(Br)c1 ZINC000518660316 458883257 /nfs/dbraw/zinc/88/32/57/458883257.db2.gz QHPGYMRETVZYOB-UHFFFAOYSA-N 0 0 340.152 3.234 10 5 EGBERN C[C@H](C(=O)Nc1ncn(C2CCCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000519047268 458910761 /nfs/dbraw/zinc/91/07/61/458910761.db2.gz YZTURXXOEFKJIX-LBPRGKRZSA-N 0 0 343.387 3.434 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000531501272 458927217 /nfs/dbraw/zinc/92/72/17/458927217.db2.gz FTIIQHHYVDHFFF-IBGZPJMESA-N 0 0 339.395 3.468 10 5 EGBERN CCc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000531630983 458949264 /nfs/dbraw/zinc/94/92/64/458949264.db2.gz LDCRHTOABSYCEI-UHFFFAOYSA-N 0 0 325.368 3.357 10 5 EGBERN COc1c(C(=O)Nc2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000475539101 458951417 /nfs/dbraw/zinc/95/14/17/458951417.db2.gz WEBQNXVHKZOLJB-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000467122696 458952157 /nfs/dbraw/zinc/95/21/57/458952157.db2.gz QBJMBRGUEVLCCZ-NSHDSACASA-N 0 0 332.447 3.246 10 5 EGBERN Cc1ccccc1C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000566635884 458974107 /nfs/dbraw/zinc/97/41/07/458974107.db2.gz BIEDRGRIKHRZGZ-LBPRGKRZSA-N 0 0 338.367 3.017 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2ccccc2F)CC1 ZINC000531883315 458994332 /nfs/dbraw/zinc/99/43/32/458994332.db2.gz FHLWGYRKDUCQCI-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594485608 459056726 /nfs/dbraw/zinc/05/67/26/459056726.db2.gz ARMQZAVOKXUBKV-SNVBAGLBSA-N 0 0 348.371 3.087 10 5 EGBERN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000477995261 459070673 /nfs/dbraw/zinc/07/06/73/459070673.db2.gz ODHKWTNOJLLOLQ-HUUCEWRRSA-N 0 0 347.415 3.246 10 5 EGBERN Cc1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594517431 459075770 /nfs/dbraw/zinc/07/57/70/459075770.db2.gz CJAKPMSDOAHFSU-OCCSQVGLSA-N 0 0 332.322 3.493 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594525182 459079915 /nfs/dbraw/zinc/07/99/15/459079915.db2.gz OUFPYVOXQFZRCK-JSGCOSHPSA-N 0 0 325.340 3.203 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CC3)[C@H]3CCCCO3)c2c1 ZINC000594589680 459100670 /nfs/dbraw/zinc/10/06/70/459100670.db2.gz FDQSFDHJHPMFSV-CVEARBPZSA-N 0 0 328.372 3.298 10 5 EGBERN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC2(CCCCC2)O1 ZINC000594601071 459106533 /nfs/dbraw/zinc/10/65/33/459106533.db2.gz SVPFAIOQKTUZSA-CYBMUJFWSA-N 0 0 342.399 3.466 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCCOCCOc2ccccc2)c1 ZINC000567471019 459111626 /nfs/dbraw/zinc/11/16/26/459111626.db2.gz ZYXCIVUINXXGDD-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN COC[C@@H](CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)OC ZINC000594701129 459133994 /nfs/dbraw/zinc/13/39/94/459133994.db2.gz KQNVYZPWKLUJOH-OAHLLOKOSA-N 0 0 331.372 3.412 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713163 459137814 /nfs/dbraw/zinc/13/78/14/459137814.db2.gz UGSRLGASWLDMJS-GHMZBOCLSA-N 0 0 334.401 3.038 10 5 EGBERN CC(C)(C)OC(=O)Nc1cc(COc2cccnc2[N+](=O)[O-])ccn1 ZINC000521395169 459148219 /nfs/dbraw/zinc/14/82/19/459148219.db2.gz SNTVDLBOMIVQIR-UHFFFAOYSA-N 0 0 346.343 3.311 10 5 EGBERN CCN(C(C)=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000594744303 459149833 /nfs/dbraw/zinc/14/98/33/459149833.db2.gz YAKZWOXLQRLYRW-UHFFFAOYSA-N 0 0 328.372 3.283 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2Cc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000590567960 459151559 /nfs/dbraw/zinc/15/15/59/459151559.db2.gz JYFYPPZJBDNKFO-UHFFFAOYSA-N 0 0 334.335 3.069 10 5 EGBERN CO[C@@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCCC1 ZINC000594894273 459169365 /nfs/dbraw/zinc/16/93/65/459169365.db2.gz QBUZIQZQHUBWSS-HNNXBMFYSA-N 0 0 347.371 3.007 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C/c2ccccc2)cc1C ZINC000480047260 459179912 /nfs/dbraw/zinc/17/99/12/459179912.db2.gz POHOFPBQSBSFDU-RMKNXTFCSA-N 0 0 346.408 3.203 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2cc3n(n2)CCC3)cc(C(F)(F)F)c1 ZINC000594937994 459183513 /nfs/dbraw/zinc/18/35/13/459183513.db2.gz KIBLOVYJSCUIBI-UHFFFAOYSA-N 0 0 340.305 3.046 10 5 EGBERN C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956083 459192293 /nfs/dbraw/zinc/19/22/93/459192293.db2.gz FADNYHPIDBNFLM-ABAIWWIYSA-N 0 0 339.355 3.242 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000533255035 459208165 /nfs/dbraw/zinc/20/81/65/459208165.db2.gz VPNAIUFHQBJLGM-UHFFFAOYSA-N 0 0 348.725 3.180 10 5 EGBERN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000590771151 459210726 /nfs/dbraw/zinc/21/07/26/459210726.db2.gz KQMUBSHFVIUOOL-ONGXEEELSA-N 0 0 331.294 3.231 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)c1sccc1C ZINC000595025885 459220646 /nfs/dbraw/zinc/22/06/46/459220646.db2.gz JVGDBPSJKMBXMR-BXUZGUMPSA-N 0 0 336.413 3.358 10 5 EGBERN COc1ccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000522264731 459232802 /nfs/dbraw/zinc/23/28/02/459232802.db2.gz CGZUARBIHMTILR-IBGZPJMESA-N 0 0 344.411 3.495 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000481122532 459234975 /nfs/dbraw/zinc/23/49/75/459234975.db2.gz FTAJQSJOCXEOEL-GFCCVEGCSA-N 0 0 343.387 3.445 10 5 EGBERN CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000595171433 459254586 /nfs/dbraw/zinc/25/45/86/459254586.db2.gz FRPCKZNOCYSKGL-CQSZACIVSA-N 0 0 347.415 3.136 10 5 EGBERN COc1cc(N[C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000533820142 459272180 /nfs/dbraw/zinc/27/21/80/459272180.db2.gz SURRYMHZAZIXAT-OAHLLOKOSA-N 0 0 331.347 3.341 10 5 EGBERN Cc1noc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328766 459278006 /nfs/dbraw/zinc/27/80/06/459278006.db2.gz ZFQMMBSZHQUTRK-BBRMVZONSA-N 0 0 345.399 3.470 10 5 EGBERN CCCCC[C@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000595379774 459287071 /nfs/dbraw/zinc/28/70/71/459287071.db2.gz HOMIDMFPMSKUFN-ZDUSSCGKSA-N 0 0 341.433 3.113 10 5 EGBERN CCCCC[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595380163 459287238 /nfs/dbraw/zinc/28/72/38/459287238.db2.gz LESQYFARTMCDIC-CYBMUJFWSA-N 0 0 341.433 3.113 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000523752187 459329357 /nfs/dbraw/zinc/32/93/57/459329357.db2.gz LPERMJDESOHXTI-VXGBXAGGSA-N 0 0 330.388 3.417 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000523757262 459329565 /nfs/dbraw/zinc/32/95/65/459329565.db2.gz AKCPXPMWBZBUOW-ZDUSSCGKSA-N 0 0 340.445 3.493 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(=O)[O-] ZINC000582241348 459332670 /nfs/dbraw/zinc/33/26/70/459332670.db2.gz NIJINNRMNBSYOP-LRDDRELGSA-N 0 0 344.367 3.397 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000595522540 459332966 /nfs/dbraw/zinc/33/29/66/459332966.db2.gz LZKNBAFYWNVENY-MRXNPFEDSA-N 0 0 331.416 3.359 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000482986913 459334231 /nfs/dbraw/zinc/33/42/31/459334231.db2.gz BYOFAVGHWOGWNC-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN Cc1noc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c1[N+](=O)[O-] ZINC000595561292 459346877 /nfs/dbraw/zinc/34/68/77/459346877.db2.gz FDJRIEKDQFYUJF-INIZCTEOSA-N 0 0 345.399 3.054 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc21 ZINC000534769035 459351167 /nfs/dbraw/zinc/35/11/67/459351167.db2.gz ITDBSOLWBSMBFB-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C\[C@H]3CCCO3)n2)c2c1NCCC2 ZINC000591665822 459420401 /nfs/dbraw/zinc/42/04/01/459420401.db2.gz JXZPLLDXMZHHEC-UIJKISKDSA-N 0 0 342.355 3.195 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595753741 459425341 /nfs/dbraw/zinc/42/53/41/459425341.db2.gz UDPGAEDLUUIYTB-BFYDXBDKSA-N 0 0 347.415 3.051 10 5 EGBERN CCOc1cc(CN2CCO[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595787371 459440238 /nfs/dbraw/zinc/44/02/38/459440238.db2.gz ORKSMFJAWXCAIK-HZMBPMFUSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595789115 459440914 /nfs/dbraw/zinc/44/09/14/459440914.db2.gz VRSLWBPLBAZDGY-PRHODGIISA-N 0 0 338.713 3.400 10 5 EGBERN COc1ccc(NC(=O)CN2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595833736 459458104 /nfs/dbraw/zinc/45/81/04/459458104.db2.gz LLVLEWJRJKFBLG-CQSZACIVSA-N 0 0 347.415 3.054 10 5 EGBERN CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000485869081 459475933 /nfs/dbraw/zinc/47/59/33/459475933.db2.gz LFUIGVVSAUTELJ-UHFFFAOYSA-N 0 0 337.420 3.123 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC(OCC3CC3)CC1)CCCC2 ZINC000591917879 459483312 /nfs/dbraw/zinc/48/33/12/459483312.db2.gz IBALVDMVJUSCHP-UHFFFAOYSA-N 0 0 331.416 3.264 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCc3n[nH]cc3C2)cc1C(F)(F)F ZINC000596003694 459493202 /nfs/dbraw/zinc/49/32/02/459493202.db2.gz TZIKGWISXKRUHQ-UHFFFAOYSA-N 0 0 326.278 3.290 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000596007185 459494838 /nfs/dbraw/zinc/49/48/38/459494838.db2.gz USZCUUMPONTMOH-UHFFFAOYSA-N 0 0 328.372 3.030 10 5 EGBERN COC(=O)Cc1ccccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583180857 459495332 /nfs/dbraw/zinc/49/53/32/459495332.db2.gz SYQVDODGWZURLC-LBPRGKRZSA-N 0 0 342.351 3.053 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000591961891 459498216 /nfs/dbraw/zinc/49/82/16/459498216.db2.gz RTVJWDGTUDSNSG-JTQLQIEISA-N 0 0 330.331 3.404 10 5 EGBERN COc1cc(NC[C@@H](CO)Cc2ccco2)c(Cl)cc1[N+](=O)[O-] ZINC000596070360 459508452 /nfs/dbraw/zinc/50/84/52/459508452.db2.gz COLLGYUJYDFKRM-JTQLQIEISA-N 0 0 340.763 3.113 10 5 EGBERN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592031632 459514180 /nfs/dbraw/zinc/51/41/80/459514180.db2.gz DEXYANULNGGDMN-NSHDSACASA-N 0 0 329.347 3.070 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2nc(C3CC3)ncc2Br)cc1 ZINC000596085212 459515258 /nfs/dbraw/zinc/51/52/58/459515258.db2.gz JKCJUGFAXDXGQF-UHFFFAOYSA-N 0 0 349.188 3.059 10 5 EGBERN COc1cc(NC2CCN(CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596096099 459518971 /nfs/dbraw/zinc/51/89/71/459518971.db2.gz AYIYKWHJDTWQST-UHFFFAOYSA-N 0 0 349.765 3.398 10 5 EGBERN COc1ccc(CNC(=O)N2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000562245550 459522418 /nfs/dbraw/zinc/52/24/18/459522418.db2.gz MVPQPUHRAUSYRN-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCC[C@H](O)C(F)(F)F ZINC000596124837 459528889 /nfs/dbraw/zinc/52/88/89/459528889.db2.gz HOXPBEZRHJXEGH-QMMMGPOBSA-N 0 0 343.099 3.083 10 5 EGBERN NC(=O)c1cc(NCc2ccccc2OC2CCC2)ccc1[N+](=O)[O-] ZINC000596130419 459530783 /nfs/dbraw/zinc/53/07/83/459530783.db2.gz QEHCNZRVGBPPOA-UHFFFAOYSA-N 0 0 341.367 3.237 10 5 EGBERN COc1cc(NCC2(O)Cc3ccccc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596137237 459533208 /nfs/dbraw/zinc/53/32/08/459533208.db2.gz XXGKGEZWLRZVNU-UHFFFAOYSA-N 0 0 348.786 3.199 10 5 EGBERN Cn1c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000497460390 459538074 /nfs/dbraw/zinc/53/80/74/459538074.db2.gz ARGGQRPJLGEAQK-HNNXBMFYSA-N 0 0 333.775 3.468 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000596160980 459544058 /nfs/dbraw/zinc/54/40/58/459544058.db2.gz QOMAFZGHGDOCRE-VIFPVBQESA-N 0 0 342.779 3.262 10 5 EGBERN COc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596170960 459546707 /nfs/dbraw/zinc/54/67/07/459546707.db2.gz BMJMDZMPXIKTSU-WDEREUQCSA-N 0 0 326.780 3.120 10 5 EGBERN COC(=O)c1c(Cl)c(NC2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596180062 459550534 /nfs/dbraw/zinc/55/05/34/459550534.db2.gz OROJXXYSUGDQMZ-RKDXNWHRSA-N 0 0 342.779 3.403 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596183669 459551999 /nfs/dbraw/zinc/55/19/99/459551999.db2.gz YPHBBCWQHWVJGX-MEBBXXQBSA-N 0 0 342.779 3.007 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H](C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596221042 459564957 /nfs/dbraw/zinc/56/49/57/459564957.db2.gz TWOLPCYYGHIKJU-ZETCQYMHSA-N 0 0 334.706 3.126 10 5 EGBERN Cc1cnc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)s1 ZINC000562472165 459569451 /nfs/dbraw/zinc/56/94/51/459569451.db2.gz YARSBOOYDXWLNQ-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000592298504 459573278 /nfs/dbraw/zinc/57/32/78/459573278.db2.gz NUXXWHYQGKQNHK-INIZCTEOSA-N 0 0 345.399 3.008 10 5 EGBERN O=[N+]([O-])c1ccc(OCCO[C@H]2CC2(F)F)c(Br)c1 ZINC000596258266 459576851 /nfs/dbraw/zinc/57/68/51/459576851.db2.gz HTPLHQZPYAFYIR-JTQLQIEISA-N 0 0 338.104 3.160 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1OCCO[C@H]1CC1(F)F ZINC000596260225 459577602 /nfs/dbraw/zinc/57/76/02/459577602.db2.gz BSBDPSXTFUUWRG-VIFPVBQESA-N 0 0 338.104 3.160 10 5 EGBERN CC[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596269063 459580019 /nfs/dbraw/zinc/58/00/19/459580019.db2.gz DYYJQKDWQUVNAK-KCJUWKMLSA-N 0 0 328.752 3.014 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000596281581 459583037 /nfs/dbraw/zinc/58/30/37/459583037.db2.gz OBMRSFLODRXGFF-UHFFFAOYSA-N 0 0 334.706 3.126 10 5 EGBERN CC(C)(CNc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000596288136 459585723 /nfs/dbraw/zinc/58/57/23/459585723.db2.gz AURRPXIMOHAORN-OAHLLOKOSA-N 0 0 330.331 3.122 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289745 459585918 /nfs/dbraw/zinc/58/59/18/459585918.db2.gz GCOJQDOJKCKNCM-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN CC(C)(CNc1ccc(C(F)F)cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000596288135 459586019 /nfs/dbraw/zinc/58/60/19/459586019.db2.gz AURRPXIMOHAORN-HNNXBMFYSA-N 0 0 330.331 3.122 10 5 EGBERN C[C@]1(C2CC2)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596339091 459601426 /nfs/dbraw/zinc/60/14/26/459601426.db2.gz PWPLSXXEIUBTBB-CYBMUJFWSA-N 0 0 331.294 3.014 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000542837676 459601532 /nfs/dbraw/zinc/60/15/32/459601532.db2.gz RMEWIAACALTPNT-LSDHHAIUSA-N 0 0 340.383 3.260 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000596351201 459604698 /nfs/dbraw/zinc/60/46/98/459604698.db2.gz RPTYOUDBBZSDRT-MNOVXSKESA-N 0 0 346.305 3.081 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cccnc1N1CCCC1 ZINC000596358230 459607360 /nfs/dbraw/zinc/60/73/60/459607360.db2.gz XJEGOWJWYBVLBV-UHFFFAOYSA-N 0 0 349.394 3.172 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000542972540 459615868 /nfs/dbraw/zinc/61/58/68/459615868.db2.gz SRDCLEFTNMJKRS-DOMZBBRYSA-N 0 0 336.388 3.387 10 5 EGBERN Cc1c(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]c1C(C)C ZINC000592523823 459624116 /nfs/dbraw/zinc/62/41/16/459624116.db2.gz CPIVUPIEORMXFG-NSHDSACASA-N 0 0 345.403 3.001 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000573148858 459633872 /nfs/dbraw/zinc/63/38/72/459633872.db2.gz JMIJQLQCFCBYFU-LBPRGKRZSA-N 0 0 342.399 3.226 10 5 EGBERN COC1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CC1 ZINC000592584121 459636415 /nfs/dbraw/zinc/63/64/15/459636415.db2.gz HOZJHZUFAKQNAD-UHFFFAOYSA-N 0 0 333.369 3.144 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCCO[C@H]1CC1(F)F ZINC000596446975 459640069 /nfs/dbraw/zinc/64/00/69/459640069.db2.gz JOPJJHVPBJSTBQ-VIFPVBQESA-N 0 0 337.120 3.193 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000596455368 459642804 /nfs/dbraw/zinc/64/28/04/459642804.db2.gz WIHFSISIGRGDQU-UHFFFAOYSA-N 0 0 335.404 3.328 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000596457709 459643822 /nfs/dbraw/zinc/64/38/22/459643822.db2.gz QTLOYKRGBLVJTF-HNNXBMFYSA-N 0 0 329.356 3.284 10 5 EGBERN Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596469426 459647118 /nfs/dbraw/zinc/64/71/18/459647118.db2.gz LXUONNZEYUBEQQ-NXEZZACHSA-N 0 0 343.221 3.119 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000596470814 459648011 /nfs/dbraw/zinc/64/80/11/459648011.db2.gz QPVQUXSPHZPGJA-GXSJLCMTSA-N 0 0 327.768 3.327 10 5 EGBERN Cn1c(=O)c2cc3ccccc3cc2nc1SCCC1(O)CC1 ZINC000527486351 459648088 /nfs/dbraw/zinc/64/80/88/459648088.db2.gz PWVOBLZBMSTUQX-UHFFFAOYSA-N 0 0 326.421 3.094 10 5 EGBERN C[C@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000596473000 459648943 /nfs/dbraw/zinc/64/89/43/459648943.db2.gz DQJIPINTKFUOLW-WPRPVWTQSA-N 0 0 330.182 3.122 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000596474599 459649032 /nfs/dbraw/zinc/64/90/32/459649032.db2.gz RUINCURYJXJCMV-GJZGRUSLSA-N 0 0 330.388 3.104 10 5 EGBERN Cc1cc(Br)c(CNc2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000596480424 459651139 /nfs/dbraw/zinc/65/11/39/459651139.db2.gz ZCENJLDEQHRAEN-UHFFFAOYSA-N 0 0 345.222 3.381 10 5 EGBERN C[C@@]12COC[C@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000596481064 459651412 /nfs/dbraw/zinc/65/14/12/459651412.db2.gz SKSNJJAAPJUETN-MLGOLLRUSA-N 0 0 331.397 3.191 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H](O)C23CCC3)c(Br)c1 ZINC000596513291 459661933 /nfs/dbraw/zinc/66/19/33/459661933.db2.gz UKIKTNRCUODILI-NEPJUHHUSA-N 0 0 327.178 3.073 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000596528176 459667055 /nfs/dbraw/zinc/66/70/55/459667055.db2.gz MHBZNYVYTWIJMN-UONOGXRCSA-N 0 0 343.358 3.269 10 5 EGBERN CC(=O)c1cc(NCC2(O)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000596527563 459667254 /nfs/dbraw/zinc/66/72/54/459667254.db2.gz GTPSKGKGHSVLOV-UHFFFAOYSA-N 0 0 328.315 3.150 10 5 EGBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592690574 459668031 /nfs/dbraw/zinc/66/80/31/459668031.db2.gz TXERIFHZJYABGU-LBPRGKRZSA-N 0 0 348.355 3.049 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592721730 459676916 /nfs/dbraw/zinc/67/69/16/459676916.db2.gz LXYHUVIUZOJCQV-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000543632040 459678139 /nfs/dbraw/zinc/67/81/39/459678139.db2.gz QEHJUQHLRDZBRA-KRWDZBQOSA-N 0 0 328.368 3.249 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592734169 459679026 /nfs/dbraw/zinc/67/90/26/459679026.db2.gz HMULNVSTMLHPTG-SBFPOUOMSA-N 0 0 338.791 3.320 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572327 459681289 /nfs/dbraw/zinc/68/12/89/459681289.db2.gz LFIOWTLNEFXQBA-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752548 459683725 /nfs/dbraw/zinc/68/37/25/459683725.db2.gz OQTOBLXVLFPMMP-OLZOCXBDSA-N 0 0 330.388 3.182 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596588478 459686438 /nfs/dbraw/zinc/68/64/38/459686438.db2.gz UFAVOOQJYOYSJK-SNVBAGLBSA-N 0 0 333.392 3.095 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770757 459686709 /nfs/dbraw/zinc/68/67/09/459686709.db2.gz CNLLZZVHWKNLHN-UONOGXRCSA-N 0 0 344.415 3.491 10 5 EGBERN CCC1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CCC(F)(F)CC1 ZINC000596590699 459687571 /nfs/dbraw/zinc/68/75/71/459687571.db2.gz FHCXHEJRGDRNBQ-UHFFFAOYSA-N 0 0 341.318 3.235 10 5 EGBERN CC1(C)C[C@@]1(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596601118 459693125 /nfs/dbraw/zinc/69/31/25/459693125.db2.gz MRNCRQKPDDMOKD-QGZVFWFLSA-N 0 0 330.388 3.106 10 5 EGBERN CNc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592826437 459699113 /nfs/dbraw/zinc/69/91/13/459699113.db2.gz BRQXCCUTUFVOBB-HUUCEWRRSA-N 0 0 325.368 3.170 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000596620739 459701502 /nfs/dbraw/zinc/70/15/02/459701502.db2.gz PYPITDCSMYMPHW-HOTGVXAUSA-N 0 0 326.352 3.272 10 5 EGBERN CCOc1ccc(C(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592834693 459701808 /nfs/dbraw/zinc/70/18/08/459701808.db2.gz GQNUDXLRWKMIOY-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@]1(C)CC1(F)F ZINC000596623972 459702520 /nfs/dbraw/zinc/70/25/20/459702520.db2.gz BYOFCKYNMUIRQZ-CYBMUJFWSA-N 0 0 329.303 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000596636451 459708091 /nfs/dbraw/zinc/70/80/91/459708091.db2.gz LBARERSQYPUQAW-ZUZCIYMTSA-N 0 0 343.330 3.180 10 5 EGBERN COc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000543886170 459710545 /nfs/dbraw/zinc/71/05/45/459710545.db2.gz XLQRYFZMYVWYDP-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN CCCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCc2ncsc2C1 ZINC000592899825 459715935 /nfs/dbraw/zinc/71/59/35/459715935.db2.gz DLRUBJYGQYYDEK-LLVKDONJSA-N 0 0 348.428 3.179 10 5 EGBERN Cc1cc(OCC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000592901694 459717274 /nfs/dbraw/zinc/71/72/74/459717274.db2.gz MVKQDFMKONGBTO-SFHVURJKSA-N 0 0 344.411 3.485 10 5 EGBERN O=C([O-])[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000596658775 459718044 /nfs/dbraw/zinc/71/80/44/459718044.db2.gz VALZRVVQRPTRGA-HNNXBMFYSA-N 0 0 344.367 3.445 10 5 EGBERN Cc1cc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971997 459726608 /nfs/dbraw/zinc/72/66/08/459726608.db2.gz FYPTZXFDCLWQES-STQMWFEESA-N 0 0 335.404 3.276 10 5 EGBERN Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000544114662 459727741 /nfs/dbraw/zinc/72/77/41/459727741.db2.gz QMCZYJRMEYBOKZ-HNNXBMFYSA-N 0 0 346.408 3.081 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000544188893 459736796 /nfs/dbraw/zinc/73/67/96/459736796.db2.gz CCWJHESMPMOLER-INIZCTEOSA-N 0 0 340.379 3.298 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000544188895 459736832 /nfs/dbraw/zinc/73/68/32/459736832.db2.gz CCWJHESMPMOLER-MRXNPFEDSA-N 0 0 340.379 3.298 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593051407 459756063 /nfs/dbraw/zinc/75/60/63/459756063.db2.gz JQCPNRWGIQUSBJ-HNNXBMFYSA-N 0 0 344.342 3.143 10 5 EGBERN CCn1cc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C(C)C)cn1 ZINC000593079704 459766962 /nfs/dbraw/zinc/76/69/62/459766962.db2.gz JUVKNTKLOXORDR-UHFFFAOYSA-N 0 0 332.404 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596865843 459781311 /nfs/dbraw/zinc/78/13/11/459781311.db2.gz JCTYLRAOJBARDL-CYBMUJFWSA-N 0 0 333.388 3.387 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000596888908 459788424 /nfs/dbraw/zinc/78/84/24/459788424.db2.gz CGHFMIXPTVXJNQ-AAEUAGOBSA-N 0 0 337.376 3.073 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCOC(C)(C)C)c1 ZINC000593188754 459800783 /nfs/dbraw/zinc/80/07/83/459800783.db2.gz PDDDZNXUHYGWAF-UHFFFAOYSA-N 0 0 327.402 3.430 10 5 EGBERN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000593220194 459811349 /nfs/dbraw/zinc/81/13/49/459811349.db2.gz ZMZHMMHFRHLOHA-IUODEOHRSA-N 0 0 348.399 3.238 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000593279166 459827318 /nfs/dbraw/zinc/82/73/18/459827318.db2.gz IGFJIBFEOYDHHB-QGZVFWFLSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000574523836 459829385 /nfs/dbraw/zinc/82/93/85/459829385.db2.gz OCJQYIREOQETGK-CQSZACIVSA-N 0 0 333.294 3.075 10 5 EGBERN Nc1c(NC(=O)N2CC[C@H](C3CCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091042 459835490 /nfs/dbraw/zinc/83/54/90/459835490.db2.gz ULPLLQSXPZFIDT-JTQLQIEISA-N 0 0 338.795 3.484 10 5 EGBERN CO[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)CC(C)C ZINC000597090183 459835771 /nfs/dbraw/zinc/83/57/71/459835771.db2.gz IUCZFYLDRPDEGG-SNVBAGLBSA-N 0 0 344.799 3.013 10 5 EGBERN CN(C[C@@H]1CC1(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092014 459835765 /nfs/dbraw/zinc/83/57/65/459835765.db2.gz IJHFMGBKCGKCKE-QMMMGPOBSA-N 0 0 326.784 3.340 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101738 459837075 /nfs/dbraw/zinc/83/70/75/459837075.db2.gz STFIKJFTBNDCQN-DTWKUNHWSA-N 0 0 326.784 3.483 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000598251371 459840738 /nfs/dbraw/zinc/84/07/38/459840738.db2.gz QLTFJZPKQXOYIL-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN CC(=O)c1ccc2c(c1)oc(=O)n2Cc1cccc([N+](=O)[O-])c1C ZINC000585814479 459855298 /nfs/dbraw/zinc/85/52/98/459855298.db2.gz YLGJNJZIFMDXIX-UHFFFAOYSA-N 0 0 326.308 3.062 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598309334 459859693 /nfs/dbraw/zinc/85/96/93/459859693.db2.gz ONJSXYSMBGDOAE-YOEHRIQHSA-N 0 0 332.400 3.325 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598339620 459871773 /nfs/dbraw/zinc/87/17/73/459871773.db2.gz AVUVDQFUECRGNB-QPUJVOFHSA-N 0 0 330.306 3.245 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598350321 459875208 /nfs/dbraw/zinc/87/52/08/459875208.db2.gz IDMDEOYJJKLWMP-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN C[C@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598356231 459878133 /nfs/dbraw/zinc/87/81/33/459878133.db2.gz ZEUWTNVQGXWTGN-KBPBESRZSA-N 0 0 332.400 3.258 10 5 EGBERN C[C@H](c1ccc(F)c(F)c1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587127634 459891428 /nfs/dbraw/zinc/89/14/28/459891428.db2.gz CNGLBERTMUSXSE-SECBINFHSA-N 0 0 337.326 3.145 10 5 EGBERN Nc1cc(N2CCC[C@H]2c2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587096838 459891589 /nfs/dbraw/zinc/89/15/89/459891589.db2.gz VHIMUBWZZRUZOD-INIZCTEOSA-N 0 0 331.347 3.150 10 5 EGBERN CCN(Cc1cccc(Cl)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587295801 459892556 /nfs/dbraw/zinc/89/25/56/459892556.db2.gz QNSNSBNCOISMAR-UHFFFAOYSA-N 0 0 335.791 3.349 10 5 EGBERN CC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000608933385 459894801 /nfs/dbraw/zinc/89/48/01/459894801.db2.gz CNWGIKLCLYRPKY-UHFFFAOYSA-N 0 0 349.368 3.198 10 5 EGBERN Nc1cc(NCc2ccc(F)c(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587771506 459895089 /nfs/dbraw/zinc/89/50/89/459895089.db2.gz OWGWNIRCTZBZMP-UHFFFAOYSA-N 0 0 325.727 3.074 10 5 EGBERN Cc1ccccc1C(C)(C)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587749462 459895370 /nfs/dbraw/zinc/89/53/70/459895370.db2.gz GOYRMINQWMEEKR-UHFFFAOYSA-N 0 0 329.400 3.367 10 5 EGBERN CN(CCc1ccc(Cl)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587977841 459897033 /nfs/dbraw/zinc/89/70/33/459897033.db2.gz AQOULQTYVABHSN-UHFFFAOYSA-N 0 0 335.791 3.002 10 5 EGBERN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256178 459897963 /nfs/dbraw/zinc/89/79/63/459897963.db2.gz LQLRUKFMQNSZCI-RNHHIQEPSA-N 0 0 326.343 3.353 10 5 EGBERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587982188 459898194 /nfs/dbraw/zinc/89/81/94/459898194.db2.gz PERNTVVIHCXCJW-DGCLKSJQSA-N 0 0 345.374 3.191 10 5 EGBERN CC(=O)NC1CCC(N(C)c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593467868 459898259 /nfs/dbraw/zinc/89/82/59/459898259.db2.gz OKAAGMUHOOTLEX-UHFFFAOYSA-N 0 0 342.399 3.027 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000593469254 459898879 /nfs/dbraw/zinc/89/88/79/459898879.db2.gz KKHDJGHHLIUXLN-YOEHRIQHSA-N 0 0 329.400 3.376 10 5 EGBERN Nc1cc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587994328 459899543 /nfs/dbraw/zinc/89/95/43/459899543.db2.gz VQJUVXUIWXNFCX-GXSJLCMTSA-N 0 0 347.337 3.450 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc([N+](=O)[O-])c1 ZINC000597264018 459900223 /nfs/dbraw/zinc/90/02/23/459900223.db2.gz APHIXUFEXUKUQR-LLVKDONJSA-N 0 0 332.356 3.290 10 5 EGBERN CC[C@H](CC(F)(F)F)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000588017581 459902641 /nfs/dbraw/zinc/90/26/41/459902641.db2.gz QMKDRTGHUDPTSD-MRVPVSSYSA-N 0 0 335.282 3.228 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@]1(CO)CCc2ccccc21 ZINC000593485569 459903334 /nfs/dbraw/zinc/90/33/34/459903334.db2.gz ZIFUHTYGXVAZKA-IBGZPJMESA-N 0 0 342.395 3.030 10 5 EGBERN Cc1ccc2c(c1)CN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C)CC2 ZINC000597280120 459903725 /nfs/dbraw/zinc/90/37/25/459903725.db2.gz ZCZASXYWTBFYDF-UHFFFAOYSA-N 0 0 349.394 3.261 10 5 EGBERN COc1c(C(=O)N(C)C[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000598468667 459905703 /nfs/dbraw/zinc/90/57/03/459905703.db2.gz FWXDKMRZYQAPJB-CQSZACIVSA-N 0 0 340.379 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCc3ccccc32)c1 ZINC000598469484 459905931 /nfs/dbraw/zinc/90/59/31/459905931.db2.gz NLAIRJMBKJFGMW-AWEZNQCLSA-N 0 0 340.379 3.405 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000588068309 459908386 /nfs/dbraw/zinc/90/83/86/459908386.db2.gz FZVMHGKQECEYJR-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537741 459918431 /nfs/dbraw/zinc/91/84/31/459918431.db2.gz JBOYGMUBPKQDKD-OAHLLOKOSA-N 0 0 349.412 3.152 10 5 EGBERN CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545751 459920562 /nfs/dbraw/zinc/92/05/62/459920562.db2.gz QEZSGTNBDCIGGV-INIZCTEOSA-N 0 0 349.412 3.008 10 5 EGBERN CCc1c[nH]c(=O)c(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000597352273 459926584 /nfs/dbraw/zinc/92/65/84/459926584.db2.gz XYNCWNCVMKWNIY-OAHLLOKOSA-N 0 0 329.356 3.139 10 5 EGBERN Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609305673 459940639 /nfs/dbraw/zinc/94/06/39/459940639.db2.gz JZPFSHKCIWELQW-UHFFFAOYSA-N 0 0 336.351 3.072 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(N3CC=CCC3)n2CC2CC2)cc1 ZINC000597407776 459942280 /nfs/dbraw/zinc/94/22/80/459942280.db2.gz YEDDCAFUXIYKFX-UHFFFAOYSA-N 0 0 325.372 3.030 10 5 EGBERN COc1cccc(C(=O)NCC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000598582481 459952164 /nfs/dbraw/zinc/95/21/64/459952164.db2.gz ZIDAJKRFBMXUTH-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000598586383 459953180 /nfs/dbraw/zinc/95/31/80/459953180.db2.gz SKQNEOYVARCPCB-LLVKDONJSA-N 0 0 345.355 3.348 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593715564 459961296 /nfs/dbraw/zinc/96/12/96/459961296.db2.gz QURAXIKPBKWFCA-IIYDPXPESA-N 0 0 339.395 3.337 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC1(F)F ZINC000598653419 459979177 /nfs/dbraw/zinc/97/91/77/459979177.db2.gz ZJRAUZJZMICJSG-ZDUSSCGKSA-N 0 0 341.358 3.262 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC(CC2CC2)C1 ZINC000598655595 459980494 /nfs/dbraw/zinc/98/04/94/459980494.db2.gz VVIJFRHXRGQGOE-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588785880 459983397 /nfs/dbraw/zinc/98/33/97/459983397.db2.gz AFBMSGCWGGMADB-JTQLQIEISA-N 0 0 349.131 3.275 10 5 EGBERN C[C@@H](CCC1CC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588890162 459996322 /nfs/dbraw/zinc/99/63/22/459996322.db2.gz RSUULUPMKQMUEY-LBPRGKRZSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1ccc(COCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000598734673 460011215 /nfs/dbraw/zinc/01/12/15/460011215.db2.gz JPFCBWPBABWSDN-UHFFFAOYSA-N 0 0 342.395 3.121 10 5 EGBERN Cc1ccc(COCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000598743143 460014822 /nfs/dbraw/zinc/01/48/22/460014822.db2.gz YKOXTVRGVRNPAY-UHFFFAOYSA-N 0 0 342.395 3.471 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000593914041 460015198 /nfs/dbraw/zinc/01/51/98/460015198.db2.gz FKUUZAGOQHGEGU-HNNXBMFYSA-N 0 0 339.395 3.287 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1csc([N+](=O)[O-])c1 ZINC000593917639 460016973 /nfs/dbraw/zinc/01/69/73/460016973.db2.gz XDAZEEGWIGVDLU-ZDUSSCGKSA-N 0 0 331.397 3.203 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593917556 460017268 /nfs/dbraw/zinc/01/72/68/460017268.db2.gz VZMVXVNIJYAUGC-HNNXBMFYSA-N 0 0 325.368 3.142 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1Cc2ccccc21 ZINC000589063409 460023216 /nfs/dbraw/zinc/02/32/16/460023216.db2.gz ZIYUWVWRHJOJJR-QGZVFWFLSA-N 0 0 335.363 3.075 10 5 EGBERN CC(C)(C(=O)NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598784859 460033135 /nfs/dbraw/zinc/03/31/35/460033135.db2.gz UWVYJAQRISEMNN-VIFPVBQESA-N 0 0 330.306 3.173 10 5 EGBERN Cc1c(CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cnn1C ZINC000575954027 460039580 /nfs/dbraw/zinc/03/95/80/460039580.db2.gz PABQDHRDMHEMIR-UHFFFAOYSA-N 0 0 343.412 3.397 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000610006674 460050471 /nfs/dbraw/zinc/05/04/71/460050471.db2.gz XNSJDGXNGJLVEB-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610051453 460056060 /nfs/dbraw/zinc/05/60/60/460056060.db2.gz JUTGYAOTSQXQKO-GFCCVEGCSA-N 0 0 334.372 3.161 10 5 EGBERN Cc1ccc(NCCCNc2ncnc3ccccc32)c([N+](=O)[O-])c1 ZINC000610077360 460059034 /nfs/dbraw/zinc/05/90/34/460059034.db2.gz TWHQVSXNTXVDKG-UHFFFAOYSA-N 0 0 337.383 3.182 10 5 EGBERN Cc1cccc(COCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000598837387 460059541 /nfs/dbraw/zinc/05/95/41/460059541.db2.gz DELPVBLPMRRUSW-UHFFFAOYSA-N 0 0 342.395 3.471 10 5 EGBERN O=[N+]([O-])c1ccccc1C=CCN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000614247725 460067196 /nfs/dbraw/zinc/06/71/96/460067196.db2.gz LNDNDCXNPLZGKM-IVEQORNPSA-N 0 0 335.367 3.105 10 5 EGBERN CSc1cccc(C(=O)N2CC3(CCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000598868713 460076498 /nfs/dbraw/zinc/07/64/98/460076498.db2.gz KAFPVFKCMOBETI-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2C(F)(F)F)n1 ZINC000598870861 460077655 /nfs/dbraw/zinc/07/76/55/460077655.db2.gz NUBSJLZKZJMGMN-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccc(C)c1C1CC1 ZINC000598873953 460078326 /nfs/dbraw/zinc/07/83/26/460078326.db2.gz PUEAYBQIASBQNX-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCCc2cc(Cl)ccc21 ZINC000598875431 460080094 /nfs/dbraw/zinc/08/00/94/460080094.db2.gz LGWZQHSFLGCVMY-UHFFFAOYSA-N 0 0 348.790 3.204 10 5 EGBERN CC(C)CCc1nnc(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000597869400 460087615 /nfs/dbraw/zinc/08/76/15/460087615.db2.gz GPKZRGJCXGTHFX-UHFFFAOYSA-N 0 0 334.401 3.216 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594073912 460088663 /nfs/dbraw/zinc/08/86/63/460088663.db2.gz UVTRQFPDUWNHBV-WBVHZDCISA-N 0 0 344.367 3.419 10 5 EGBERN CC(C)CCc1nnc(NC(=O)CNc2ccccc2[N+](=O)[O-])s1 ZINC000597870526 460089133 /nfs/dbraw/zinc/08/91/33/460089133.db2.gz NSYXPDBTILFUHU-UHFFFAOYSA-N 0 0 349.416 3.086 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2N(C)C(=O)C1 ZINC000598938146 460096082 /nfs/dbraw/zinc/09/60/82/460096082.db2.gz ARISMNOYVBTOKK-CYBMUJFWSA-N 0 0 325.368 3.134 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCc2nc(C(C)C)ncc2C1 ZINC000598936586 460096453 /nfs/dbraw/zinc/09/64/53/460096453.db2.gz ODZQJWKDAHPZHT-UHFFFAOYSA-N 0 0 326.400 3.375 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000598943504 460097975 /nfs/dbraw/zinc/09/79/75/460097975.db2.gz VTTAJKMIEHTEHN-UHFFFAOYSA-N 0 0 333.779 3.119 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000597923322 460114358 /nfs/dbraw/zinc/11/43/58/460114358.db2.gz QUVMJNSEWWUPNO-UHFFFAOYSA-N 0 0 329.356 3.006 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000597952923 460125142 /nfs/dbraw/zinc/12/51/42/460125142.db2.gz XZIVQIBMOPCKBU-GFCCVEGCSA-N 0 0 345.403 3.038 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC(C3CC3)C2)cc1[N+](=O)[O-] ZINC000589724961 460131634 /nfs/dbraw/zinc/13/16/34/460131634.db2.gz JCPSDMDOWRYKTH-UHFFFAOYSA-N 0 0 339.189 3.148 10 5 EGBERN Cc1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594165682 460135048 /nfs/dbraw/zinc/13/50/48/460135048.db2.gz QYFXRIHJGKRZJI-DGCLKSJQSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594165683 460135498 /nfs/dbraw/zinc/13/54/98/460135498.db2.gz QYFXRIHJGKRZJI-WCQYABFASA-N 0 0 346.305 3.133 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC(C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000597994126 460139535 /nfs/dbraw/zinc/13/95/35/460139535.db2.gz FZICDPBYYZJUDS-UHFFFAOYSA-N 0 0 346.383 3.034 10 5 EGBERN CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594186247 460140512 /nfs/dbraw/zinc/14/05/12/460140512.db2.gz NFZAEHVZWPDPEU-GJZGRUSLSA-N 0 0 338.429 3.151 10 5 EGBERN C[C@]12COC[C@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000618721472 460142496 /nfs/dbraw/zinc/14/24/96/460142496.db2.gz GYHSEWPORXUOFI-VFNWGFHPSA-N 0 0 332.403 3.497 10 5 EGBERN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cscn1 ZINC000598014437 460144820 /nfs/dbraw/zinc/14/48/20/460144820.db2.gz FZLJLZRKNWQUCX-VIFPVBQESA-N 0 0 337.376 3.345 10 5 EGBERN COc1cccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594202406 460148541 /nfs/dbraw/zinc/14/85/41/460148541.db2.gz GZQMUKXJKUBZDV-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC2(CCCC2)O1 ZINC000594206303 460151699 /nfs/dbraw/zinc/15/16/99/460151699.db2.gz LLOPPFGMGMHFJK-MRXNPFEDSA-N 0 0 332.400 3.135 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594206546 460152158 /nfs/dbraw/zinc/15/21/58/460152158.db2.gz PHUMVZOEMISGCE-CYBMUJFWSA-N 0 0 348.399 3.215 10 5 EGBERN Cn1nc(CNc2c3ccccc3ncc2[N+](=O)[O-])c2ccccc21 ZINC000589864705 460154298 /nfs/dbraw/zinc/15/42/98/460154298.db2.gz TZHWOEXUQKYPQO-UHFFFAOYSA-N 0 0 333.351 3.064 10 5 EGBERN O=[N+]([O-])c1c(NCC2(CO)CC3(CCC3)C2)ccc2cnccc21 ZINC000599082930 460155133 /nfs/dbraw/zinc/15/51/33/460155133.db2.gz ZCNDBSWILXFFEV-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN Cc1ccc(NCC2(OCCO)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599139777 460172941 /nfs/dbraw/zinc/17/29/41/460172941.db2.gz VFZTWSIDOJGQBX-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000598102331 460175198 /nfs/dbraw/zinc/17/51/98/460175198.db2.gz ZGNHCFGPFOPDGA-MEDUHNTESA-N 0 0 326.352 3.062 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000610531311 460177900 /nfs/dbraw/zinc/17/79/00/460177900.db2.gz DQXFSJXBEOZODM-INIZCTEOSA-N 0 0 345.403 3.104 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(Cc3ccco3)C2)c(C(F)(F)F)c1 ZINC000599151067 460178759 /nfs/dbraw/zinc/17/87/59/460178759.db2.gz BDJIDJNEOLXKTA-UHFFFAOYSA-N 0 0 327.262 3.281 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCc2nc(C3CC3)ncc2C1 ZINC000599160856 460182292 /nfs/dbraw/zinc/18/22/92/460182292.db2.gz QUIMUAYPWUXNSL-UHFFFAOYSA-N 0 0 347.378 3.373 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000599166167 460183077 /nfs/dbraw/zinc/18/30/77/460183077.db2.gz WOQCXCHSNFCWMV-GXTWGEPZSA-N 0 0 332.381 3.340 10 5 EGBERN CCc1nn(C)c(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1[N+](=O)[O-] ZINC000599166797 460184327 /nfs/dbraw/zinc/18/43/27/460184327.db2.gz GISHZLOPZATLSN-DDTOSNHZSA-N 0 0 332.791 3.294 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](CCF)C2)nc1-c1ccccc1 ZINC000599168357 460184770 /nfs/dbraw/zinc/18/47/70/460184770.db2.gz CRAHJXBCRWHUJW-CQSZACIVSA-N 0 0 331.347 3.222 10 5 EGBERN O=[N+]([O-])c1c(N2CC[C@H](c3ccc(O)cc3)C2)nc2sccn21 ZINC000599190286 460193685 /nfs/dbraw/zinc/19/36/85/460193685.db2.gz BUKHCNVNURZDLQ-NSHDSACASA-N 0 0 330.369 3.004 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)cc1F ZINC000599193371 460194901 /nfs/dbraw/zinc/19/49/01/460194901.db2.gz KOWCLFJOZDAXNJ-LLVKDONJSA-N 0 0 349.337 3.458 10 5 EGBERN COc1ccc([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)cc1F ZINC000599193232 460195062 /nfs/dbraw/zinc/19/50/62/460195062.db2.gz IHLSJCGVWQFCDB-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC(Cc4cccs4)C3)c21 ZINC000599196927 460195937 /nfs/dbraw/zinc/19/59/37/460195937.db2.gz SULKAUHUJWPMCP-UHFFFAOYSA-N 0 0 326.381 3.278 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598199210 460201296 /nfs/dbraw/zinc/20/12/96/460201296.db2.gz OHTLSMGWCDCTES-KOMQPUFPSA-N 0 0 344.342 3.003 10 5 EGBERN Cc1ccc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cc1[N+](=O)[O-] ZINC000598208922 460204365 /nfs/dbraw/zinc/20/43/65/460204365.db2.gz QFMBGGUOHXPSTO-IRXDYDNUSA-N 0 0 340.379 3.206 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCCCO1 ZINC000594410278 460209610 /nfs/dbraw/zinc/20/96/10/460209610.db2.gz IVIIBGYZQBQWKH-SWLSCSKDSA-N 0 0 331.372 3.154 10 5 EGBERN C[C@@H](C(=O)NC[C@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000576775176 460210801 /nfs/dbraw/zinc/21/08/01/460210801.db2.gz SREWGURWGZIEFF-ACJLOTCBSA-N 0 0 334.416 3.146 10 5 EGBERN CNc1c(C(=O)N2CC(Cc3ccc(C)cc3)C2)cccc1[N+](=O)[O-] ZINC000598234313 460216894 /nfs/dbraw/zinc/21/68/94/460216894.db2.gz HOHVBDUXPXMXJK-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN COc1cc(NCc2c(C)cc(C)nc2OC)c([N+](=O)[O-])cc1F ZINC000610715495 460223834 /nfs/dbraw/zinc/22/38/34/460223834.db2.gz WDOQWSSPAXMRHW-UHFFFAOYSA-N 0 0 335.335 3.375 10 5 EGBERN COc1ccc(OCCN2CCC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599595488 460283623 /nfs/dbraw/zinc/28/36/23/460283623.db2.gz HNLAYADAHRYBLO-ZDUSSCGKSA-N 0 0 334.294 3.009 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000611159633 460298491 /nfs/dbraw/zinc/29/84/91/460298491.db2.gz NTHCWUXOFLYPMR-UHFFFAOYSA-N 0 0 342.327 3.240 10 5 EGBERN CC[C@@H](CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599651181 460298766 /nfs/dbraw/zinc/29/87/66/460298766.db2.gz HWXSQKFNLJLZJC-BZNIZROVSA-N 0 0 344.358 3.254 10 5 EGBERN COC(=O)[C@](C)(NCCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000599651707 460299256 /nfs/dbraw/zinc/29/92/56/460299256.db2.gz IXFLAZVZZAKBBU-LJQANCHMSA-N 0 0 342.395 3.124 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2cnncc21 ZINC000619311836 460325620 /nfs/dbraw/zinc/32/56/20/460325620.db2.gz GUHMRSOIMSFPEK-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599830586 460343130 /nfs/dbraw/zinc/34/31/30/460343130.db2.gz USPORDBVSTUCQB-NWDGAFQWSA-N 0 0 344.371 3.174 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H](C)O1 ZINC000599830589 460343315 /nfs/dbraw/zinc/34/33/15/460343315.db2.gz USPORDBVSTUCQB-VXGBXAGGSA-N 0 0 344.371 3.174 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599832901 460343909 /nfs/dbraw/zinc/34/39/09/460343909.db2.gz MRTGGGQZHRQTPP-LLVKDONJSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@H](CSC)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832777 460343929 /nfs/dbraw/zinc/34/39/29/460343929.db2.gz JMQHEIWGFLGOAP-SNVBAGLBSA-N 0 0 334.401 3.406 10 5 EGBERN CCC(CC)(CO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832304 460344150 /nfs/dbraw/zinc/34/41/50/460344150.db2.gz VUPOXPSJASKSPF-UHFFFAOYSA-N 0 0 346.387 3.063 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC2(CC2(F)F)C1 ZINC000599835056 460344849 /nfs/dbraw/zinc/34/48/49/460344849.db2.gz STNMZCVZFHZKNF-UHFFFAOYSA-N 0 0 334.282 3.016 10 5 EGBERN CCOC1CC(N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834275 460344881 /nfs/dbraw/zinc/34/48/81/460344881.db2.gz DMPCUWHMULHURD-UHFFFAOYSA-N 0 0 344.371 3.174 10 5 EGBERN CC(C)CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835027 460344945 /nfs/dbraw/zinc/34/49/45/460344945.db2.gz SAPYQYJJPLHTCI-LBPRGKRZSA-N 0 0 346.387 3.062 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837397 460345273 /nfs/dbraw/zinc/34/52/73/460345273.db2.gz COTUZDQEYKHJEN-MEDUHNTESA-N 0 0 346.387 3.326 10 5 EGBERN COCC1(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599835650 460345457 /nfs/dbraw/zinc/34/54/57/460345457.db2.gz YAMOHQNRWUEKKN-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)(C)O ZINC000599836250 460345520 /nfs/dbraw/zinc/34/55/20/460345520.db2.gz RKBAPVGNXCTYDD-HNNXBMFYSA-N 0 0 346.387 3.060 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000603941698 460362558 /nfs/dbraw/zinc/36/25/58/460362558.db2.gz QAAAMDKTDGRRDE-NSHDSACASA-N 0 0 342.351 3.377 10 5 EGBERN Cc1c(NC(=O)N2CC(C)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541702 460378059 /nfs/dbraw/zinc/37/80/59/460378059.db2.gz PDFUBXKUEGPKDO-UHFFFAOYSA-N 0 0 346.156 3.241 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1F ZINC000611517641 460386543 /nfs/dbraw/zinc/38/65/43/460386543.db2.gz ZUFIJQQKTGMCOL-KWQFWETISA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)n1 ZINC000619652354 460404424 /nfs/dbraw/zinc/40/44/24/460404424.db2.gz YZWIVURMWNKISI-HUUCEWRRSA-N 0 0 331.347 3.058 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000611587295 460411702 /nfs/dbraw/zinc/41/17/02/460411702.db2.gz VRFLHIDCHUTRTD-NSHDSACASA-N 0 0 348.733 3.021 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000611592973 460412743 /nfs/dbraw/zinc/41/27/43/460412743.db2.gz KEOIPJBQPMLBRL-NSHDSACASA-N 0 0 329.303 3.139 10 5 EGBERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611615910 460413846 /nfs/dbraw/zinc/41/38/46/460413846.db2.gz GZNWONOIOKLCSL-DZGCQCFKSA-N 0 0 348.447 3.128 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000611615859 460413867 /nfs/dbraw/zinc/41/38/67/460413867.db2.gz IUAKFDNZTBZEGX-JTQLQIEISA-N 0 0 327.344 3.362 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000600168077 460417185 /nfs/dbraw/zinc/41/71/85/460417185.db2.gz RAMNFXMQWYZFTH-UHFFFAOYSA-N 0 0 327.384 3.306 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC(C3CCOCC3)C2)c1 ZINC000619726637 460424257 /nfs/dbraw/zinc/42/42/57/460424257.db2.gz YCGGCMTXGCQYJP-UHFFFAOYSA-N 0 0 342.342 3.055 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1(C)C ZINC000619737641 460426106 /nfs/dbraw/zinc/42/61/06/460426106.db2.gz DNLUNGGXSRYTKM-LBPRGKRZSA-N 0 0 329.404 3.263 10 5 EGBERN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000600185986 460427638 /nfs/dbraw/zinc/42/76/38/460427638.db2.gz WYRRPRBBZXJHBV-AOOOYVTPSA-N 0 0 337.326 3.439 10 5 EGBERN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000604539062 460443807 /nfs/dbraw/zinc/44/38/07/460443807.db2.gz DVYIXZDPRPNDIJ-IUCKJTJTSA-N 0 0 341.415 3.277 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000600299882 460466783 /nfs/dbraw/zinc/46/67/83/460466783.db2.gz AUSGXRDDBKCSNV-QGZVFWFLSA-N 0 0 341.367 3.270 10 5 EGBERN O=C(N[C@H](c1ccccn1)C1CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600303196 460467925 /nfs/dbraw/zinc/46/79/25/460467925.db2.gz VWKPPRQXMRGNER-INIZCTEOSA-N 0 0 329.331 3.400 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000600303274 460468147 /nfs/dbraw/zinc/46/81/47/460468147.db2.gz WWDURTPZLSSUGS-SFHVURJKSA-N 0 0 340.383 3.059 10 5 EGBERN COc1ccc(NC(=O)NCc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000611823481 460470155 /nfs/dbraw/zinc/47/01/55/460470155.db2.gz QKTTYLUZRVZKMA-UHFFFAOYSA-N 0 0 325.708 3.172 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000600366439 460483851 /nfs/dbraw/zinc/48/38/51/460483851.db2.gz UGRRFDBULJOXLP-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN CCCOc1cncc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000600368020 460484454 /nfs/dbraw/zinc/48/44/54/460484454.db2.gz XRZNCBDPVDWVPR-UHFFFAOYSA-N 0 0 329.356 3.268 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@]1(C)OCC ZINC000600368559 460485665 /nfs/dbraw/zinc/48/56/65/460485665.db2.gz VRSLOUCPFBCYHL-ZBFHGGJFSA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000600443950 460496486 /nfs/dbraw/zinc/49/64/86/460496486.db2.gz WUBPCJOLXCELCX-WVXQGFRLSA-N 0 0 334.416 3.092 10 5 EGBERN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600520151 460511590 /nfs/dbraw/zinc/51/15/90/460511590.db2.gz NMUNNWGFQCSLNC-YPMHNXCESA-N 0 0 332.381 3.107 10 5 EGBERN CC1(C)C[C@@H](SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CO1 ZINC000600569212 460527622 /nfs/dbraw/zinc/52/76/22/460527622.db2.gz JXHPLYSNZSJWID-GFCCVEGCSA-N 0 0 335.385 3.446 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000601150866 460733967 /nfs/dbraw/zinc/73/39/67/460733967.db2.gz GVERSKCYVHZIGV-PELKAZGASA-N 0 0 337.273 3.024 10 5 EGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)n1ccnc1 ZINC000601197789 460747274 /nfs/dbraw/zinc/74/72/74/460747274.db2.gz GABVWUKXOZWBAI-UHFFFAOYSA-N 0 0 329.282 3.052 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(Cc3nccs3)CC2)nc2sccn21 ZINC000601215701 460753148 /nfs/dbraw/zinc/75/31/48/460753148.db2.gz CENMPSQYFRDWEA-UHFFFAOYSA-N 0 0 349.441 3.220 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000601216938 460754519 /nfs/dbraw/zinc/75/45/19/460754519.db2.gz JVHVYIWFJLNJKM-OAHLLOKOSA-N 0 0 341.367 3.160 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000601221522 460755459 /nfs/dbraw/zinc/75/54/59/460755459.db2.gz NNMLVMIXGJDARM-UHFFFAOYSA-N 0 0 331.376 3.092 10 5 EGBERN O=[N+]([O-])c1ccc(NCCC2(O)CCN(c3ccccc3)CC2)cc1 ZINC000601223808 460755544 /nfs/dbraw/zinc/75/55/44/460755544.db2.gz NYTARXAXILRHRI-UHFFFAOYSA-N 0 0 341.411 3.428 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000601281077 460774321 /nfs/dbraw/zinc/77/43/21/460774321.db2.gz LDCDHINBDZYHBO-GVDBMIGSSA-N 0 0 332.400 3.225 10 5 EGBERN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000601413720 460806884 /nfs/dbraw/zinc/80/68/84/460806884.db2.gz HHWHCCFDSKSOPL-NSHDSACASA-N 0 0 333.775 3.106 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601566587 460835291 /nfs/dbraw/zinc/83/52/91/460835291.db2.gz TWZJOWRZIQRPNJ-DNSOKLHBSA-N 0 0 343.177 3.109 10 5 EGBERN O=C(N[C@H](C1CC1)C(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601583798 460838605 /nfs/dbraw/zinc/83/86/05/460838605.db2.gz ZNEOTUZFTNLDQL-CYBMUJFWSA-N 0 0 342.317 3.474 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@@H](C)O1 ZINC000601643173 460855090 /nfs/dbraw/zinc/85/50/90/460855090.db2.gz DMENWCDZJKTILG-LGWLGOQQSA-N 0 0 347.415 3.050 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nccn2c1 ZINC000613182010 460855362 /nfs/dbraw/zinc/85/53/62/460855362.db2.gz CSQMLZJVOAFHOH-AWEZNQCLSA-N 0 0 338.367 3.450 10 5 EGBERN CC(C)O[C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601651307 460856883 /nfs/dbraw/zinc/85/68/83/460856883.db2.gz IIMKVAPVVKTLGU-QGZVFWFLSA-N 0 0 346.427 3.433 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601656300 460859312 /nfs/dbraw/zinc/85/93/12/460859312.db2.gz HCPLWLQRWYLNLO-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN COCc1ccnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601660135 460859662 /nfs/dbraw/zinc/85/96/62/460859662.db2.gz RGEWKGHWJQIDPS-UHFFFAOYSA-N 0 0 341.367 3.197 10 5 EGBERN COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000601697724 460874563 /nfs/dbraw/zinc/87/45/63/460874563.db2.gz CPQWRDYJTFLYQI-HNNXBMFYSA-N 0 0 330.340 3.420 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC12CC2 ZINC000601705619 460877976 /nfs/dbraw/zinc/87/79/76/460877976.db2.gz QCPXBTSBSWOIIF-IINYFYTJSA-N 0 0 338.791 3.464 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601706593 460879068 /nfs/dbraw/zinc/87/90/68/460879068.db2.gz YAQQTODGXYBMRT-MRXNPFEDSA-N 0 0 329.400 3.258 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601706429 460879119 /nfs/dbraw/zinc/87/91/19/460879119.db2.gz UTEVQKOZVBMKNT-GFCCVEGCSA-N 0 0 326.299 3.259 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccccc2F)CC1 ZINC000601736336 460886374 /nfs/dbraw/zinc/88/63/74/460886374.db2.gz HOTKYKGZUAXPDG-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN O=C(N[C@]12C[C@H]1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601779515 460895980 /nfs/dbraw/zinc/89/59/80/460895980.db2.gz YPHFSWZFHNWILM-RDTXWAMCSA-N 0 0 329.400 3.258 10 5 EGBERN CNc1ccc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601858272 460927957 /nfs/dbraw/zinc/92/79/57/460927957.db2.gz WNRFNHWVWATDFH-INIZCTEOSA-N 0 0 347.415 3.106 10 5 EGBERN C[C@H](C(=O)N1CCC(c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617758674 460968900 /nfs/dbraw/zinc/96/89/00/460968900.db2.gz GWISUYZKIJEBRX-AWEZNQCLSA-N 0 0 339.395 3.500 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000613527006 460982685 /nfs/dbraw/zinc/98/26/85/460982685.db2.gz RMOGICQBLYWFIO-UHFFFAOYSA-N 0 0 335.312 3.438 10 5 EGBERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000233304861 535493091 /nfs/dbraw/zinc/49/30/91/535493091.db2.gz JWWRUICAWUNYOH-PSASIEDQSA-N 0 0 327.178 3.276 10 5 EGBERN Cc1c(CC(=O)Nc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000160298048 533840560 /nfs/dbraw/zinc/84/05/60/533840560.db2.gz QNPZXDSWJFYHHC-UHFFFAOYSA-N 0 0 340.383 3.080 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000183588919 534424222 /nfs/dbraw/zinc/42/42/22/534424222.db2.gz XYBKSNOGQUEXJF-RKDXNWHRSA-N 0 0 332.282 3.232 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000187041520 534564869 /nfs/dbraw/zinc/56/48/69/534564869.db2.gz DRDJAWMRIRJQDO-HNNXBMFYSA-N 0 0 347.396 3.102 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000187740845 528064678 /nfs/dbraw/zinc/06/46/78/528064678.db2.gz NJKOFHSTJHTAFL-AWEZNQCLSA-N 0 0 342.399 3.081 10 5 EGBERN CCc1sc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)nc1-c1ccccc1 ZINC000350616462 535951953 /nfs/dbraw/zinc/95/19/53/535951953.db2.gz RXSCBRYAXFBYKU-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000374204897 547804127 /nfs/dbraw/zinc/80/41/27/547804127.db2.gz MCGOYLBMWPJNGC-MRXNPFEDSA-N 0 0 348.399 3.073 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600392571 548111459 /nfs/dbraw/zinc/11/14/59/548111459.db2.gz HVJRSMDECNKWQD-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(C)cc1 ZINC000727302087 574660579 /nfs/dbraw/zinc/66/05/79/574660579.db2.gz GEOCWVIHKGIDSA-UHFFFAOYSA-N 0 0 342.351 3.341 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1c(F)cccc1F ZINC000728201315 574729102 /nfs/dbraw/zinc/72/91/02/574729102.db2.gz DYYRZLOXSYOXCE-JTQLQIEISA-N 0 0 347.321 3.263 10 5 EGBERN COC(=O)c1cccc(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000728202024 574729512 /nfs/dbraw/zinc/72/95/12/574729512.db2.gz RIANZIHVAFBWMG-GFCCVEGCSA-N 0 0 326.352 3.333 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C)c1ccccc1 ZINC000728201318 574729186 /nfs/dbraw/zinc/72/91/86/574729186.db2.gz FERBPODPOWYGFY-CYBMUJFWSA-N 0 0 325.368 3.009 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000728987129 574791545 /nfs/dbraw/zinc/79/15/45/574791545.db2.gz XKSRCDRIWZTXNP-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN CCC(C)(C)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000730703191 575011159 /nfs/dbraw/zinc/01/11/59/575011159.db2.gz KYOWFMBOPQKORE-CYBMUJFWSA-N 0 0 348.399 3.179 10 5 EGBERN O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000732054155 575234641 /nfs/dbraw/zinc/23/46/41/575234641.db2.gz QSNAFLPTZCTJPS-GFCCVEGCSA-N 0 0 337.807 3.087 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000732402453 575266787 /nfs/dbraw/zinc/26/67/87/575266787.db2.gz RPAKLKSOILTXTQ-BQYQJAHWSA-N 0 0 331.328 3.290 10 5 EGBERN CCNc1ccc(C(=O)OCc2ncc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000733389056 575331944 /nfs/dbraw/zinc/33/19/44/575331944.db2.gz CQKRIKWOTKVPHJ-UHFFFAOYSA-N 0 0 333.344 3.495 10 5 EGBERN CCOc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000733604616 575372122 /nfs/dbraw/zinc/37/21/22/575372122.db2.gz IAQDTQWRJFCLPN-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000735669550 575697079 /nfs/dbraw/zinc/69/70/79/575697079.db2.gz SAVOOGVOPKUISO-LBPRGKRZSA-N 0 0 328.155 3.442 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000742015728 576742781 /nfs/dbraw/zinc/74/27/81/576742781.db2.gz KNUHZMRYZWTAST-LBPRGKRZSA-N 0 0 345.399 3.313 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOCCOc1ccccc1 ZINC000742259266 576763573 /nfs/dbraw/zinc/76/35/73/576763573.db2.gz XKSJTYOZIVMIBG-OAHLLOKOSA-N 0 0 342.395 3.441 10 5 EGBERN Cc1cnc(N2CCC(O)(c3cccc(C)c3C)CC2)c([N+](=O)[O-])c1 ZINC000742429901 576783600 /nfs/dbraw/zinc/78/36/00/576783600.db2.gz JLRMDKCAHURENB-UHFFFAOYSA-N 0 0 341.411 3.403 10 5 EGBERN Cc1ccccc1OCCCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000742872701 576796997 /nfs/dbraw/zinc/79/69/97/576796997.db2.gz LKHQIXGZTQPOLA-UHFFFAOYSA-N 0 0 330.340 3.233 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000022261182 1291210540 /nfs/dbraw/zinc/21/05/40/1291210540.db2.gz GHKIFMVXGRQLRF-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN Cc1nn(C)c(Cl)c1/C=C\C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000098042636 1292962567 /nfs/dbraw/zinc/96/25/67/1292962567.db2.gz KMULEBGUIUMPPH-FPLPWBNLSA-N 0 0 349.774 3.355 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCCc1cccnc1 ZINC000119161511 1293257777 /nfs/dbraw/zinc/25/77/77/1293257777.db2.gz GIGUVKIWJMSLAI-UHFFFAOYSA-N 0 0 339.351 3.190 10 5 EGBERN CC(C)N(Cc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119323665 1293265624 /nfs/dbraw/zinc/26/56/24/1293265624.db2.gz FEIMWMWJFONGOD-UHFFFAOYSA-N 0 0 340.426 3.256 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000128474398 1293594382 /nfs/dbraw/zinc/59/43/82/1293594382.db2.gz UMGZDDWQYDSICF-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN CCC(=O)c1ccc(OS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000134030214 1293760313 /nfs/dbraw/zinc/76/03/13/1293760313.db2.gz ZLOMBIOOFDTESN-UHFFFAOYSA-N 0 0 349.364 3.096 10 5 EGBERN O=C(Nc1ccc2c(c1)CCCO2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170801077 1294382956 /nfs/dbraw/zinc/38/29/56/1294382956.db2.gz LPVWFCAQYBCXPW-UHFFFAOYSA-N 0 0 334.278 3.450 10 5 EGBERN C[C@]1(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000177215698 1294661235 /nfs/dbraw/zinc/66/12/35/1294661235.db2.gz CJYQDAAOZMBIJB-MRXNPFEDSA-N 0 0 348.380 3.444 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccn(C2CC2)c1=O ZINC000869992944 1295584575 /nfs/dbraw/zinc/58/45/75/1295584575.db2.gz SANSBNOWBSVQJO-LBPRGKRZSA-N 0 0 342.351 3.318 10 5 EGBERN CCc1ccc(C(=O)O[C@@H]2CCCc3nccnc32)cc1[N+](=O)[O-] ZINC000870539498 1295930242 /nfs/dbraw/zinc/93/02/42/1295930242.db2.gz CWVMYHIARICWEX-OAHLLOKOSA-N 0 0 327.340 3.182 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C[C@@H](C)c1cnn(C)c1 ZINC000870700105 1296027562 /nfs/dbraw/zinc/02/75/62/1296027562.db2.gz DNXFPFSBELFJMU-GFCCVEGCSA-N 0 0 331.372 3.182 10 5 EGBERN CC(C)c1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870826711 1296104704 /nfs/dbraw/zinc/10/47/04/1296104704.db2.gz LAZNRPOAQTYRQH-UHFFFAOYSA-N 0 0 329.356 3.475 10 5 EGBERN CC(C)=C[C@@H]1[C@@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000870826996 1296105158 /nfs/dbraw/zinc/10/51/58/1296105158.db2.gz RPXOCXAUUWTLTH-AXVKAWJUSA-N 0 0 333.388 3.276 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCCS1 ZINC000871023464 1296182112 /nfs/dbraw/zinc/18/21/12/1296182112.db2.gz DYQWAXPRHPOQBO-GFCCVEGCSA-N 0 0 326.443 3.089 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000871120127 1296233032 /nfs/dbraw/zinc/23/30/32/1296233032.db2.gz KSJFWCXEZFPZGT-HIFRSBDPSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000871123490 1296234968 /nfs/dbraw/zinc/23/49/68/1296234968.db2.gz PZWGSMNYSRXGGH-FFHQTSAVSA-N 0 0 330.384 3.072 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000871299823 1296329774 /nfs/dbraw/zinc/32/97/74/1296329774.db2.gz BDIJEWCSIVPNGI-SJKOYZFVSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1 ZINC000871332143 1296356070 /nfs/dbraw/zinc/35/60/70/1296356070.db2.gz XJCVQPGDFIRJJQ-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN O=[N+]([O-])c1ccc(OCCSCc2nccn2CC(F)F)cc1 ZINC000871677910 1296476385 /nfs/dbraw/zinc/47/63/85/1296476385.db2.gz GJWTVUGGTCRNHF-UHFFFAOYSA-N 0 0 343.355 3.369 10 5 EGBERN CC1(C)CO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000871745930 1296513602 /nfs/dbraw/zinc/51/36/02/1296513602.db2.gz MZAXLQPWQQBACP-SNVBAGLBSA-N 0 0 327.768 3.185 10 5 EGBERN CC(C)(CCc1noc(-c2cc(F)c3ncccc3c2)n1)[N+](=O)[O-] ZINC000871848049 1296565512 /nfs/dbraw/zinc/56/55/12/1296565512.db2.gz YNOHBRFKRBSONC-UHFFFAOYSA-N 0 0 330.319 3.412 10 5 EGBERN CCNC(=O)c1ccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024164 1296668012 /nfs/dbraw/zinc/66/80/12/1296668012.db2.gz YGXCTGQNGIYNBR-LBPRGKRZSA-N 0 0 345.374 3.334 10 5 EGBERN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067029 1296714011 /nfs/dbraw/zinc/71/40/11/1296714011.db2.gz UBOGCEZVRPIHGV-QWRGUYRKSA-N 0 0 341.383 3.298 10 5 EGBERN C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000872091208 1296728289 /nfs/dbraw/zinc/72/82/89/1296728289.db2.gz GYFKJPIVDTXCKM-NEPJUHHUSA-N 0 0 326.368 3.174 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC000872091548 1296730473 /nfs/dbraw/zinc/73/04/73/1296730473.db2.gz JHASIMQAFYBDHQ-XHDPSFHLSA-N 0 0 349.456 3.121 10 5 EGBERN CC(=O)C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000872668739 1297046879 /nfs/dbraw/zinc/04/68/79/1297046879.db2.gz YRMAKSLZMVLBFB-UHFFFAOYSA-N 0 0 340.383 3.166 10 5 EGBERN O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000312277481 1297114889 /nfs/dbraw/zinc/11/48/89/1297114889.db2.gz GZICIRGXOFGQNR-UHFFFAOYSA-N 0 0 342.193 3.205 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000873352680 1297455207 /nfs/dbraw/zinc/45/52/07/1297455207.db2.gz BAGDWYZDZALYIT-GSJFWJNXSA-N 0 0 348.380 3.300 10 5 EGBERN Cc1c(NCc2cn(C)nc2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000877165810 1299188961 /nfs/dbraw/zinc/18/89/61/1299188961.db2.gz MKSXHXSSODUWLP-UHFFFAOYSA-N 0 0 340.387 3.051 10 5 EGBERN Cn1cc(CNc2cc(F)c(OC(C)(C)C)c(F)c2)c([N+](=O)[O-])n1 ZINC000877196109 1299202819 /nfs/dbraw/zinc/20/28/19/1299202819.db2.gz WDLGJFVXLDACHF-UHFFFAOYSA-N 0 0 340.330 3.396 10 5 EGBERN Cc1cccc(NCc2cn(C)nc2[N+](=O)[O-])c1Br ZINC000877400177 1299279192 /nfs/dbraw/zinc/27/91/92/1299279192.db2.gz UYMWLFQDYBPLPH-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC/C=C(/C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864998 1301745267 /nfs/dbraw/zinc/74/52/67/1301745267.db2.gz IUYCKDUCRXRZIJ-WTKPLQERSA-N 0 0 327.178 3.330 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000884700046 1302956251 /nfs/dbraw/zinc/95/62/51/1302956251.db2.gz LVYAXXLORUGFOA-JPHJHBEYSA-N 0 0 348.399 3.182 10 5 EGBERN CC(=O)[C@H]1CC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000887255447 1303721094 /nfs/dbraw/zinc/72/10/94/1303721094.db2.gz OJCFNVMEBFDUSH-FYFZZSKRSA-N 0 0 330.384 3.262 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887482837 1303814725 /nfs/dbraw/zinc/81/47/25/1303814725.db2.gz YDUYPTNBWDFKSP-QHLFFQLOSA-N 0 0 330.384 3.072 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000891416274 1305045769 /nfs/dbraw/zinc/04/57/69/1305045769.db2.gz PILDQJKMSTYBIN-KRWDZBQOSA-N 0 0 346.383 3.065 10 5 EGBERN O=C(OC/C=C\C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893212245 1305764737 /nfs/dbraw/zinc/76/47/37/1305764737.db2.gz YCWPFXIPTPMOSS-IWQZZHSRSA-N 0 0 347.245 3.031 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ncsc1C1CC1 ZINC000893278816 1305800994 /nfs/dbraw/zinc/80/09/94/1305800994.db2.gz YFGKAYZUSZSWPD-UHFFFAOYSA-N 0 0 333.369 3.336 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893534296 1305955425 /nfs/dbraw/zinc/95/54/25/1305955425.db2.gz QCLDIMVICJYVGG-HNNXBMFYSA-N 0 0 341.367 3.210 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885734 1306113761 /nfs/dbraw/zinc/11/37/61/1306113761.db2.gz HAFPAUCWPWTENG-ZFWWWQNUSA-N 0 0 342.399 3.043 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000893957376 1306145660 /nfs/dbraw/zinc/14/56/60/1306145660.db2.gz DDRMCCDUDLEJTP-FUHWJXTLSA-N 0 0 328.343 3.279 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000894267358 1306311631 /nfs/dbraw/zinc/31/16/31/1306311631.db2.gz ZDBNZVOLYMDRQN-UHFFFAOYSA-N 0 0 335.747 3.352 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000894301183 1306330833 /nfs/dbraw/zinc/33/08/33/1306330833.db2.gz TYTUWJQYHNKVOQ-FZKQIMNGSA-N 0 0 342.399 3.100 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000894506498 1308928534 /nfs/dbraw/zinc/92/85/34/1308928534.db2.gz UPBUWBZPTNVASO-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@H](C(=O)NC[C@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000894529718 1308939748 /nfs/dbraw/zinc/93/97/48/1308939748.db2.gz WMNGNASZSKOZBN-XJKSGUPXSA-N 0 0 332.400 3.164 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000894699250 1309027059 /nfs/dbraw/zinc/02/70/59/1309027059.db2.gz DMTOKYSKKHTWNH-GDBMZVCRSA-N 0 0 348.399 3.023 10 5 EGBERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccccc1[N+](=O)[O-] ZINC000895755809 1309506052 /nfs/dbraw/zinc/50/60/52/1309506052.db2.gz AOECGTAZUKWMQS-LLVKDONJSA-N 0 0 344.392 3.108 10 5 EGBERN CC(=O)c1cc(N[C@H]2c3ccccc3CC[C@H]2O)ccc1[N+](=O)[O-] ZINC000896669039 1309968786 /nfs/dbraw/zinc/96/87/86/1309968786.db2.gz PYSHPCFNTPODHX-MSOLQXFVSA-N 0 0 326.352 3.258 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000897010695 1310134046 /nfs/dbraw/zinc/13/40/46/1310134046.db2.gz PYMCFITZQFDHMR-MSIPSHCFSA-N 0 0 341.367 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)c1C ZINC000898270582 1310655588 /nfs/dbraw/zinc/65/55/88/1310655588.db2.gz WKAIXVAEOXOTRT-YVEFUNNKSA-N 0 0 346.358 3.203 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000857578347 1328552743 /nfs/dbraw/zinc/55/27/43/1328552743.db2.gz JCVFVVVFZAVQEZ-CVEARBPZSA-N 0 0 327.336 3.239 10 5 EGBERN O=C(NCC[C@@H]1CC1(Cl)Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857686521 1328584520 /nfs/dbraw/zinc/58/45/20/1328584520.db2.gz ABLCZDDNBQCUOB-ZCFIWIBFSA-N 0 0 339.125 3.187 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000857875418 1328612002 /nfs/dbraw/zinc/61/20/02/1328612002.db2.gz NOLNIJDSXSTODJ-UHFFFAOYSA-N 0 0 334.326 3.349 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cn3c(n2)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000857938966 1328634590 /nfs/dbraw/zinc/63/45/90/1328634590.db2.gz LABZGJPXNHHWOV-DGCLKSJQSA-N 0 0 342.399 3.173 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 ZINC000929566025 1328636029 /nfs/dbraw/zinc/63/60/29/1328636029.db2.gz WKHRORMKWWHXGF-MRXNPFEDSA-N 0 0 343.358 3.425 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857967601 1328643753 /nfs/dbraw/zinc/64/37/53/1328643753.db2.gz FQNDDDDBGDRPRS-GFCCVEGCSA-N 0 0 331.759 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2ncccn2)C1 ZINC000899520405 1317069847 /nfs/dbraw/zinc/06/98/47/1317069847.db2.gz VRSRDKIVGGFXON-CQSZACIVSA-N 0 0 340.383 3.021 10 5 EGBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000899530646 1317075203 /nfs/dbraw/zinc/07/52/03/1317075203.db2.gz QVCPWKNCUKYERX-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000956937126 1317090213 /nfs/dbraw/zinc/09/02/13/1317090213.db2.gz HCJBQMMZUBAZNH-GXTWGEPZSA-N 0 0 333.388 3.244 10 5 EGBERN COc1cccc2c1CN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000858497214 1328779659 /nfs/dbraw/zinc/77/96/59/1328779659.db2.gz VKZPVGQFMIEVCE-LBPRGKRZSA-N 0 0 341.367 3.390 10 5 EGBERN Cn1ccnc1[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858517181 1328786226 /nfs/dbraw/zinc/78/62/26/1328786226.db2.gz OWKZOIQUKFIAJF-CQSZACIVSA-N 0 0 337.383 3.261 10 5 EGBERN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000858576270 1328797980 /nfs/dbraw/zinc/79/79/80/1328797980.db2.gz ATPDNBBONGTDDI-WDEREUQCSA-N 0 0 334.401 3.119 10 5 EGBERN CC(C)n1nccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385396 1319020069 /nfs/dbraw/zinc/02/00/69/1319020069.db2.gz ZNEALRMOBHEIMV-UHFFFAOYSA-N 0 0 340.742 3.095 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1(c2ccccn2)CC1 ZINC000913386437 1319021539 /nfs/dbraw/zinc/02/15/39/1319021539.db2.gz VDEYXBVIGUBTPW-UHFFFAOYSA-N 0 0 349.749 3.130 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913586694 1319064276 /nfs/dbraw/zinc/06/42/76/1319064276.db2.gz AIIWLAMUFIKURK-GXTWGEPZSA-N 0 0 342.399 3.033 10 5 EGBERN C[C@](CO)(NC(=O)[C@@H]1CCC=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000913659723 1319089761 /nfs/dbraw/zinc/08/97/61/1319089761.db2.gz LCPGWVVZCKEMRA-RDTXWAMCSA-N 0 0 332.400 3.055 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC1CC2(CSC2)C1 ZINC000913751198 1319115072 /nfs/dbraw/zinc/11/50/72/1319115072.db2.gz SXFFPNJWEBCFTL-UHFFFAOYSA-N 0 0 340.832 3.193 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238807 1319273577 /nfs/dbraw/zinc/27/35/77/1319273577.db2.gz JZOXTXXCQNLUNF-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914239001 1319274142 /nfs/dbraw/zinc/27/41/42/1319274142.db2.gz PIEPHPCYMXOHFT-XJKSGUPXSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000915129492 1319430240 /nfs/dbraw/zinc/43/02/40/1319430240.db2.gz JUUXUPVRBGLVKM-BZNIZROVSA-N 0 0 340.335 3.409 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1([C@H]2CCCCO2)CC1 ZINC000930317254 1328832195 /nfs/dbraw/zinc/83/21/95/1328832195.db2.gz SDTRIFUBVFIAEI-CQSZACIVSA-N 0 0 333.388 3.435 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858732709 1328845277 /nfs/dbraw/zinc/84/52/77/1328845277.db2.gz DARNPRXTTSRFSI-JTQLQIEISA-N 0 0 333.369 3.268 10 5 EGBERN CC(C)(C)[NH+]1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000917090712 1319754058 /nfs/dbraw/zinc/75/40/58/1319754058.db2.gz ICURPSTXPVBZPL-FNORWQNLSA-N 0 0 347.415 3.367 10 5 EGBERN CC(=O)c1ccc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000917346391 1319793408 /nfs/dbraw/zinc/79/34/08/1319793408.db2.gz AMJNVKYMRGOMGX-ZWNOBZJWSA-N 0 0 333.262 3.286 10 5 EGBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SC1CC2(CCC2)C1 ZINC000917468356 1319816573 /nfs/dbraw/zinc/81/65/73/1319816573.db2.gz MJHDXDORUKLCCJ-UHFFFAOYSA-N 0 0 331.397 3.267 10 5 EGBERN Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cnc1Br ZINC000917485494 1319820954 /nfs/dbraw/zinc/82/09/54/1319820954.db2.gz UTFVPNQLFJQBBR-UHFFFAOYSA-N 0 0 337.177 3.183 10 5 EGBERN O=c1c2ccccc2n(C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000917758977 1319869783 /nfs/dbraw/zinc/86/97/83/1319869783.db2.gz CICZFTHIPOPADA-ZANVPECISA-N 0 0 342.273 3.020 10 5 EGBERN COc1ccc(OS(=O)(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000917848743 1319881556 /nfs/dbraw/zinc/88/15/56/1319881556.db2.gz CNLQNVIBILFSFH-MDZDMXLPSA-N 0 0 349.364 3.291 10 5 EGBERN Cc1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000917921313 1319887994 /nfs/dbraw/zinc/88/79/94/1319887994.db2.gz LIZXSZVZNUDWLR-UHFFFAOYSA-N 0 0 327.383 3.349 10 5 EGBERN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000858779798 1328858637 /nfs/dbraw/zinc/85/86/37/1328858637.db2.gz XOUWRRAQOCMIGX-RYUDHWBXSA-N 0 0 336.392 3.190 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)OCCCOc1ccc(F)cc1 ZINC000918508742 1319962872 /nfs/dbraw/zinc/96/28/72/1319962872.db2.gz BHWLEHMTEPSTKU-UHFFFAOYSA-N 0 0 333.315 3.289 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCCOC1CCCCC1 ZINC000918515588 1319964433 /nfs/dbraw/zinc/96/44/33/1319964433.db2.gz YBSAYVXURDCITM-UHFFFAOYSA-N 0 0 337.372 3.500 10 5 EGBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCCC1 ZINC000858801620 1328865124 /nfs/dbraw/zinc/86/51/24/1328865124.db2.gz LGGLWGZMIQAVMF-UHFFFAOYSA-N 0 0 348.428 3.265 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCCC2(CC2)CC1 ZINC000858834999 1328871443 /nfs/dbraw/zinc/87/14/43/1328871443.db2.gz FZDCXXAFJNZZMR-UHFFFAOYSA-N 0 0 331.372 3.322 10 5 EGBERN Cc1cn(C)nc1CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000930723961 1328950413 /nfs/dbraw/zinc/95/04/13/1328950413.db2.gz YOQFZRNRCCDLNV-CYBMUJFWSA-N 0 0 346.284 3.169 10 5 EGBERN COc1ccc(N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000930743741 1328954978 /nfs/dbraw/zinc/95/49/78/1328954978.db2.gz VCYYNHYRQCAPLP-UHFFFAOYSA-N 0 0 349.774 3.247 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859367341 1328977501 /nfs/dbraw/zinc/97/75/01/1328977501.db2.gz CUVUNSXBHKUETH-ZDUSSCGKSA-N 0 0 328.368 3.247 10 5 EGBERN CN(Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000859382062 1328979710 /nfs/dbraw/zinc/97/97/10/1328979710.db2.gz LUNMBCWBQPHPBW-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000859432167 1328985842 /nfs/dbraw/zinc/98/58/42/1328985842.db2.gz OQQFRNQAQBIUTA-QAVQXKDTSA-N 0 0 342.392 3.101 10 5 EGBERN CCO[C@@H](COC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 ZINC000859445938 1328988322 /nfs/dbraw/zinc/98/83/22/1328988322.db2.gz WFRBQLYCEPQKEO-ZDUSSCGKSA-N 0 0 325.386 3.289 10 5 EGBERN COc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc2c1O[C@@H](C)C2 ZINC000918919387 1322011940 /nfs/dbraw/zinc/01/19/40/1322011940.db2.gz NUWABFAJKVEMIR-VIFPVBQESA-N 0 0 349.364 3.345 10 5 EGBERN C[C@H](Oc1cccc(F)c1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000919075407 1322025535 /nfs/dbraw/zinc/02/55/35/1322025535.db2.gz QQTANGUTYMMWAV-VIFPVBQESA-N 0 0 325.317 3.306 10 5 EGBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2F)nc2ccccc12 ZINC000919568397 1322079852 /nfs/dbraw/zinc/07/98/52/1322079852.db2.gz NVDUSBDFBIBVHJ-UHFFFAOYSA-N 0 0 341.298 3.343 10 5 EGBERN COC[C@H](Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)C(C)C ZINC000920417233 1322175254 /nfs/dbraw/zinc/17/52/54/1322175254.db2.gz KEAWVCFQXBFNFJ-LBPRGKRZSA-N 0 0 338.795 3.425 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNCc1nccc2c1CCCC2 ZINC000921687532 1322378674 /nfs/dbraw/zinc/37/86/74/1322378674.db2.gz GFKMPFKNVOXCKC-UHFFFAOYSA-N 0 0 327.384 3.167 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000921807374 1322401448 /nfs/dbraw/zinc/40/14/48/1322401448.db2.gz PJPLFAXPVGHTSD-QEORTHHSSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1cc(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000922180005 1322473510 /nfs/dbraw/zinc/47/35/10/1322473510.db2.gz QJAJAJVUYODCGV-PWSUYJOCSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000922412826 1322523872 /nfs/dbraw/zinc/52/38/72/1322523872.db2.gz QZRWVZKRWBHDKG-GZMMTYOYSA-N 0 0 337.225 3.001 10 5 EGBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cn2)sc1C(C)(C)C ZINC000922529944 1322550501 /nfs/dbraw/zinc/55/05/01/1322550501.db2.gz PSEZWBMAOOAUPD-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN C[C@@H](NCc1csc(-c2ccn(C)n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000922540187 1322552362 /nfs/dbraw/zinc/55/23/62/1322552362.db2.gz HAILBSYLKRFMHA-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN C[C@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923330815 1322734812 /nfs/dbraw/zinc/73/48/12/1322734812.db2.gz CSQHQWQJDZMVCK-NSHDSACASA-N 0 0 332.356 3.045 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCc1cscn1 ZINC000923597707 1322779220 /nfs/dbraw/zinc/77/92/20/1322779220.db2.gz GHRASUBSRIBJHS-UHFFFAOYSA-N 0 0 340.788 3.423 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000923720127 1322796338 /nfs/dbraw/zinc/79/63/38/1322796338.db2.gz BCGHLNHLCSWTKU-OLZOCXBDSA-N 0 0 347.289 3.181 10 5 EGBERN COCCCCc1noc(CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000923873699 1322831249 /nfs/dbraw/zinc/83/12/49/1322831249.db2.gz MLANLJQAGCJUJE-UHFFFAOYSA-N 0 0 339.779 3.386 10 5 EGBERN CC(=O)[C@@H](C)CCOC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923961976 1322856816 /nfs/dbraw/zinc/85/68/16/1322856816.db2.gz LUIAGZPIYNODSD-JTQLQIEISA-N 0 0 327.764 3.339 10 5 EGBERN CCO[C@H](COC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000923963744 1322857372 /nfs/dbraw/zinc/85/73/72/1322857372.db2.gz VRAFRSUCPKSCQB-OAHLLOKOSA-N 0 0 325.336 3.025 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1CC1(Cl)Cl ZINC000923966806 1322858431 /nfs/dbraw/zinc/85/84/31/1322858431.db2.gz XHDDKCJWWSDOKF-VIFPVBQESA-N 0 0 336.146 3.404 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@H]1CCCO1 ZINC000923968278 1322859243 /nfs/dbraw/zinc/85/92/43/1322859243.db2.gz YQAACCKMYQSDSP-LLVKDONJSA-N 0 0 327.764 3.293 10 5 EGBERN C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000923968158 1322859262 /nfs/dbraw/zinc/85/92/62/1322859262.db2.gz UVHQCTRVWOYIBD-JEBQAFNWSA-N 0 0 340.379 3.238 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCc1cscn1 ZINC000923967960 1322859566 /nfs/dbraw/zinc/85/95/66/1322859566.db2.gz ULPJPXPHKNDSCC-UHFFFAOYSA-N 0 0 340.788 3.423 10 5 EGBERN CC(C)OC1(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000923975661 1322861407 /nfs/dbraw/zinc/86/14/07/1322861407.db2.gz CHJIUKGNJBRBPJ-CYBMUJFWSA-N 0 0 335.404 3.303 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000923997185 1322867839 /nfs/dbraw/zinc/86/78/39/1322867839.db2.gz IISMFTBZUOISQI-IUODEOHRSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@]1(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C=CCC1 ZINC000924410514 1323011335 /nfs/dbraw/zinc/01/13/35/1323011335.db2.gz WLUCAUOTHVCZQR-OAHLLOKOSA-N 0 0 338.747 3.086 10 5 EGBERN C[C@H](CNC(=O)Nc1cccc2c1CCO2)c1ccccc1[N+](=O)[O-] ZINC000931219366 1329073296 /nfs/dbraw/zinc/07/32/96/1329073296.db2.gz IXTZFQJOZXXHMO-GFCCVEGCSA-N 0 0 341.367 3.455 10 5 EGBERN COC(C)(C)CCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859998873 1329125133 /nfs/dbraw/zinc/12/51/33/1329125133.db2.gz AOIPWKPHXALZCL-UHFFFAOYSA-N 0 0 346.177 3.329 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)O1 ZINC000860070286 1329140299 /nfs/dbraw/zinc/14/02/99/1329140299.db2.gz BXUPLZKQPZPWDO-LLVKDONJSA-N 0 0 325.336 3.371 10 5 EGBERN COc1ccc(COC(=O)[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000860070604 1329140622 /nfs/dbraw/zinc/14/06/22/1329140622.db2.gz VGNQGPRVYUJZAM-LBPRGKRZSA-N 0 0 337.372 3.240 10 5 EGBERN C[C@H](CN(C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099107 1329146270 /nfs/dbraw/zinc/14/62/70/1329146270.db2.gz YEPQCDBCUPEOJN-LLVKDONJSA-N 0 0 341.383 3.079 10 5 EGBERN Cc1c(COC(=O)[C@H]2C[C@@]2(C)Br)cccc1[N+](=O)[O-] ZINC000860117674 1329150871 /nfs/dbraw/zinc/15/08/71/1329150871.db2.gz XDRUWUGPSIAXGZ-ZWNOBZJWSA-N 0 0 328.162 3.120 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCc3nc[nH]c3C23CCC3)c(F)c1 ZINC000931679864 1329163102 /nfs/dbraw/zinc/16/31/02/1329163102.db2.gz GPDZJENZFPAOTH-UHFFFAOYSA-N 0 0 334.326 3.034 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCCC23CC3)c1 ZINC000860176823 1329166675 /nfs/dbraw/zinc/16/66/75/1329166675.db2.gz SOAPKRWXFMZVOZ-CYBMUJFWSA-N 0 0 333.340 3.005 10 5 EGBERN C[C@@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860178180 1329167396 /nfs/dbraw/zinc/16/73/96/1329167396.db2.gz HIQRYPRKDSEUHQ-RISCZKNCSA-N 0 0 332.356 3.045 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCC12CC2 ZINC000860178984 1329167705 /nfs/dbraw/zinc/16/77/05/1329167705.db2.gz HCJQMKUCKCEFMH-AWEZNQCLSA-N 0 0 333.340 3.085 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000860188601 1329169758 /nfs/dbraw/zinc/16/97/58/1329169758.db2.gz NDDHUHRBVZNPNH-ZSBIGDGJSA-N 0 0 340.807 3.410 10 5 EGBERN CN(OCC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000860262012 1329184595 /nfs/dbraw/zinc/18/45/95/1329184595.db2.gz RCKYBBPFTHOTIK-UHFFFAOYSA-N 0 0 327.646 3.206 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925243494 1325093822 /nfs/dbraw/zinc/09/38/22/1325093822.db2.gz HFGAEYJUHHPMPQ-KGLIPLIRSA-N 0 0 335.404 3.114 10 5 EGBERN C[S@@](=O)(=NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000926026335 1325393867 /nfs/dbraw/zinc/39/38/67/1325393867.db2.gz UPJDWJKEUGTRTC-QHCPKHFHSA-N 0 0 342.392 3.234 10 5 EGBERN Cc1ccnc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1C1CC1 ZINC000926105972 1325429844 /nfs/dbraw/zinc/42/98/44/1325429844.db2.gz GPYKSWGSWRWMLP-UHFFFAOYSA-N 0 0 329.331 3.496 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000860344745 1329307547 /nfs/dbraw/zinc/30/75/47/1329307547.db2.gz ULTCQJYNIZGKEJ-CABCVRRESA-N 0 0 340.379 3.247 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000860648404 1329339989 /nfs/dbraw/zinc/33/99/89/1329339989.db2.gz PSACWBDSMMZZJH-UUIJZJDISA-N 0 0 339.413 3.290 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927317664 1327969888 /nfs/dbraw/zinc/96/98/88/1327969888.db2.gz PFIFXFOMWRTHPR-XLIONFOSSA-N 0 0 336.391 3.328 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928143943 1328215542 /nfs/dbraw/zinc/21/55/42/1328215542.db2.gz UYYRIRYXPURFQG-LLVKDONJSA-N 0 0 348.346 3.332 10 5 EGBERN C/C(=C/C(=O)N[C@H](c1ncccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928582279 1328361884 /nfs/dbraw/zinc/36/18/84/1328361884.db2.gz TXVFSTRNYNTUBZ-CPFIRTDXSA-N 0 0 338.367 3.056 10 5 EGBERN CC[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928683429 1328393401 /nfs/dbraw/zinc/39/34/01/1328393401.db2.gz ADAVRGPSDDXRKJ-GFCCVEGCSA-N 0 0 336.388 3.001 10 5 EGBERN O=C(C[C@H]1CCCO1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443825 1329418606 /nfs/dbraw/zinc/41/86/06/1329418606.db2.gz GTFGNBHYHIIWOO-YPMHNXCESA-N 0 0 333.262 3.311 10 5 EGBERN Cc1[nH]nc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1C ZINC000861445146 1329418873 /nfs/dbraw/zinc/41/88/73/1329418873.db2.gz WOVYKAUKGFCOPK-LBPRGKRZSA-N 0 0 343.261 3.395 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000929117616 1328509677 /nfs/dbraw/zinc/50/96/77/1328509677.db2.gz ASWRFFDDKHBYFK-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Cc2nccs2)C1 ZINC000929119867 1328510605 /nfs/dbraw/zinc/51/06/05/1328510605.db2.gz TWLIVHJVQJEJKH-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN CC(=O)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861859997 1329446218 /nfs/dbraw/zinc/44/62/18/1329446218.db2.gz WYOMFZNHGZVPPN-QGZVFWFLSA-N 0 0 326.352 3.332 10 5 EGBERN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862175709 1329464224 /nfs/dbraw/zinc/46/42/24/1329464224.db2.gz SSYLQFMUMVNUII-UGSOOPFHSA-N 0 0 342.395 3.371 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862210123 1329465915 /nfs/dbraw/zinc/46/59/15/1329465915.db2.gz AOSWMRDLPUCVCQ-UHFFFAOYSA-N 0 0 348.790 3.179 10 5 EGBERN COCCC1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000862429418 1329485850 /nfs/dbraw/zinc/48/58/50/1329485850.db2.gz GRUUYNHFLQNUAK-YPKPFQOOSA-N 0 0 332.400 3.273 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000862999945 1329521879 /nfs/dbraw/zinc/52/18/79/1329521879.db2.gz QLKHBFSMAGMERD-JIXVBMEVSA-N 0 0 326.780 3.098 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000863588720 1329564918 /nfs/dbraw/zinc/56/49/18/1329564918.db2.gz DTUINHRRQDEGJG-GTNSWQLSSA-N 0 0 335.379 3.205 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000863643386 1329570249 /nfs/dbraw/zinc/57/02/49/1329570249.db2.gz VPFJGHDFJNQDNJ-UHFFFAOYSA-N 0 0 335.379 3.206 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000863651374 1329570448 /nfs/dbraw/zinc/57/04/48/1329570448.db2.gz JWDOXCNSOLOPOG-ZDUSSCGKSA-N 0 0 344.342 3.378 10 5 EGBERN C[C@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864405269 1329612233 /nfs/dbraw/zinc/61/22/33/1329612233.db2.gz GHFAWKITBFKGJG-JTQLQIEISA-N 0 0 341.205 3.158 10 5 EGBERN CC[C@H](C)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865082976 1329667876 /nfs/dbraw/zinc/66/78/76/1329667876.db2.gz PIHWMONFMOIDDI-VIFPVBQESA-N 0 0 329.194 3.157 10 5 EGBERN C[C@@H](C1CC1)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864688825 1329638312 /nfs/dbraw/zinc/63/83/12/1329638312.db2.gz HDXCLTDMGTZNBR-VIFPVBQESA-N 0 0 341.205 3.157 10 5 EGBERN CC[C@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865140158 1329672683 /nfs/dbraw/zinc/67/26/83/1329672683.db2.gz CHAUMWDENOSWIR-NSHDSACASA-N 0 0 341.205 3.301 10 5 EGBERN Cc1ccc(CNC(=S)NCCc2cccs2)cc1[N+](=O)[O-] ZINC000865264459 1329681051 /nfs/dbraw/zinc/68/10/51/1329681051.db2.gz ZHTMHTGQEMOWFL-UHFFFAOYSA-N 0 0 335.454 3.172 10 5 EGBERN CC1(C)CC[C@H](CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])OC1 ZINC000865289157 1329683403 /nfs/dbraw/zinc/68/34/03/1329683403.db2.gz YULCQNUJLWVXBS-CYBMUJFWSA-N 0 0 338.429 3.132 10 5 EGBERN CCn1cnc2c1nc(Cl)nc2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000865436976 1329697177 /nfs/dbraw/zinc/69/71/77/1329697177.db2.gz VTHDELSLZHDUIQ-UHFFFAOYSA-N 0 0 346.778 3.044 10 5 EGBERN C[C@H]1CN(c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])cc2)CCO1 ZINC000865546928 1329711930 /nfs/dbraw/zinc/71/19/30/1329711930.db2.gz KFHZWQQDOGLLKZ-NSHDSACASA-N 0 0 332.335 3.098 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)Cc3ccccc3C2)c(C(F)F)c1 ZINC000865550122 1329712364 /nfs/dbraw/zinc/71/23/64/1329712364.db2.gz ZPABDPNXWRFCFO-UHFFFAOYSA-N 0 0 334.322 3.474 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865724119 1329732710 /nfs/dbraw/zinc/73/27/10/1329732710.db2.gz HQGCCHHWTQZKHI-PIGZYNQJSA-N 0 0 328.343 3.326 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865851644 1329745657 /nfs/dbraw/zinc/74/56/57/1329745657.db2.gz OIOFQNCONXXWLO-ZBEGNZNMSA-N 0 0 326.368 3.089 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ncc3c(n2)CCOC3)c(C(F)F)c1 ZINC000865908802 1329751135 /nfs/dbraw/zinc/75/11/35/1329751135.db2.gz UZXGRRLESFVCGC-UHFFFAOYSA-N 0 0 336.298 3.007 10 5 EGBERN CC(=O)c1cc(N2CCC[C@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051073 1330059686 /nfs/dbraw/zinc/05/96/86/1330059686.db2.gz HNTXARLOBITDHW-OALUTQOASA-N 0 0 340.379 3.500 10 5 EGBERN COc1cc(N2CCC[C@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866053912 1330060066 /nfs/dbraw/zinc/06/00/66/1330060066.db2.gz VHHZQRPHTJOUKZ-WMZOPIPTSA-N 0 0 328.368 3.306 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCO[C@@H](C(F)F)CC3)sc2c1 ZINC000866064777 1330061754 /nfs/dbraw/zinc/06/17/54/1330061754.db2.gz XOLVUHUKIWKABL-SNVBAGLBSA-N 0 0 329.328 3.065 10 5 EGBERN Cc1cc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866076839 1330062768 /nfs/dbraw/zinc/06/27/68/1330062768.db2.gz CWRPYGFPHGBIHW-DTWKUNHWSA-N 0 0 338.713 3.164 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000866129558 1330068370 /nfs/dbraw/zinc/06/83/70/1330068370.db2.gz ICSDASNZKMDNRR-NHYWBVRUSA-N 0 0 337.351 3.061 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](OC3CCC3)CC2)c2nonc21 ZINC000866147635 1330070591 /nfs/dbraw/zinc/07/05/91/1330070591.db2.gz JPOCNOAFCXXMHC-LBPRGKRZSA-N 0 0 332.360 3.059 10 5 EGBERN NC(=O)c1cc(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000866178695 1330073955 /nfs/dbraw/zinc/07/39/55/1330073955.db2.gz WICLRUHTTWUJPO-JOYOIKCWSA-N 0 0 343.305 3.250 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nc(C(F)(F)F)n3c2CCCC3)s1 ZINC000866191898 1330075892 /nfs/dbraw/zinc/07/58/92/1330075892.db2.gz VYDAWGLTFCVDII-UHFFFAOYSA-N 0 0 347.322 3.215 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3OC)C2)c1 ZINC000866231543 1330081433 /nfs/dbraw/zinc/08/14/33/1330081433.db2.gz DMHYZCIHAYMYDC-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000866232301 1330081519 /nfs/dbraw/zinc/08/15/19/1330081519.db2.gz DHJIDXPCGBAJSA-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2ccc([N+](=O)[O-])cc2F)no1 ZINC000866250883 1330085632 /nfs/dbraw/zinc/08/56/32/1330085632.db2.gz JMMCGEQYNKNCBT-YOGCLGLASA-N 0 0 332.335 3.340 10 5 EGBERN Cn1cc(-c2ccc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)cc2)cn1 ZINC000867016330 1330166075 /nfs/dbraw/zinc/16/60/75/1330166075.db2.gz NPNLSXBCVROZPC-UHFFFAOYSA-N 0 0 341.371 3.125 10 5 EGBERN O=[N+]([O-])c1c(Cl)cccc1OS(=O)(=O)C[C@H]1CCC1(F)F ZINC000867307501 1330193023 /nfs/dbraw/zinc/19/30/23/1330193023.db2.gz SHMZHEYJJPVUOC-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN Cc1cc(S(=O)(=O)N(c2ccccc2)C2CC2)c([N+](=O)[O-])s1 ZINC000867359602 1330196165 /nfs/dbraw/zinc/19/61/65/1330196165.db2.gz AMGJWZOVHAPMNU-UHFFFAOYSA-N 0 0 338.410 3.322 10 5 EGBERN CCC(C)(C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867798060 1330221029 /nfs/dbraw/zinc/22/10/29/1330221029.db2.gz IWVJMAJJKUMUGB-UHFFFAOYSA-N 0 0 343.221 3.452 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867976034 1330235157 /nfs/dbraw/zinc/23/51/57/1330235157.db2.gz DDSZHFLSUVRNCA-IBGZPJMESA-N 0 0 341.411 3.044 10 5 EGBERN CC1(C)CC[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868334551 1330271729 /nfs/dbraw/zinc/27/17/29/1330271729.db2.gz ZVSLDGRAZXRLDI-LBPRGKRZSA-N 0 0 341.205 3.205 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000868404054 1330277319 /nfs/dbraw/zinc/27/73/19/1330277319.db2.gz JZHHISVAXMVWJP-SUZRMVIJSA-N 0 0 327.384 3.027 10 5 EGBERN CCCCC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000869312448 1330459356 /nfs/dbraw/zinc/45/93/56/1330459356.db2.gz OPRAPHDQEBNGMT-UHFFFAOYSA-N 0 0 348.399 3.114 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000869410834 1330485524 /nfs/dbraw/zinc/48/55/24/1330485524.db2.gz KCHDSFFABQIWSO-KRWDZBQOSA-N 0 0 343.358 3.329 10 5 EGBERN C[C@H](OC(=O)[C@@]12C[C@@H]1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000869709318 1330549617 /nfs/dbraw/zinc/54/96/17/1330549617.db2.gz XIDCEUOIOHPZPE-PRXAMGSTSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@@H]1CCCC[C@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001184775249 1387535599 /nfs/dbraw/zinc/53/55/99/1387535599.db2.gz JDQKEUQEMQUWMN-TZMCWYRMSA-N 0 0 329.400 3.462 10 5 EGBERN COc1ccc([C@H](O)CNc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001184810909 1387543808 /nfs/dbraw/zinc/54/38/08/1387543808.db2.gz BXFWVEQMHIOBDB-QGZVFWFLSA-N 0 0 339.351 3.297 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1cccc(O)c1 ZINC001185106075 1387619152 /nfs/dbraw/zinc/61/91/52/1387619152.db2.gz HHLAGAYMEUZHIN-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3C[C@H]4CCC[C@@H](C3)C4O)n2)cc1 ZINC001324459985 1387629624 /nfs/dbraw/zinc/62/96/24/1387629624.db2.gz ZORGNGONKKIJDJ-OCZCAGDBSA-N 0 0 345.424 3.316 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccc(F)c1 ZINC001185339870 1387688068 /nfs/dbraw/zinc/68/80/68/1387688068.db2.gz UHBGRJJMNJJTFX-UHFFFAOYSA-N 0 0 331.347 3.223 10 5 EGBERN C[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])N1CCCCC1=O ZINC001186166917 1387888785 /nfs/dbraw/zinc/88/87/85/1387888785.db2.gz OGBWQOCOJMTJOQ-JTQLQIEISA-N 0 0 345.321 3.427 10 5 EGBERN CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001325179122 1387910581 /nfs/dbraw/zinc/91/05/81/1387910581.db2.gz DOBFJZKXFWBWPR-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN NC(=O)c1cc(N[C@@H]2CCCc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC001186360210 1387928842 /nfs/dbraw/zinc/92/88/42/1387928842.db2.gz SSZZBFFPHCFFJY-OAHLLOKOSA-N 0 0 329.331 3.322 10 5 EGBERN COC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001195567537 1368455330 /nfs/dbraw/zinc/45/53/30/1368455330.db2.gz MWSJFIYSLPKCFV-HNNXBMFYSA-N 0 0 348.786 3.122 10 5 EGBERN CCCCOC(=O)C(C)(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001195596613 1368458270 /nfs/dbraw/zinc/45/82/70/1368458270.db2.gz QWEUNHICJYRUCS-UHFFFAOYSA-N 0 0 328.796 3.460 10 5 EGBERN Cc1cc(C)c(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001186696638 1387998344 /nfs/dbraw/zinc/99/83/44/1387998344.db2.gz VYBGDRWAORTMAP-UHFFFAOYSA-N 0 0 349.394 3.406 10 5 EGBERN Cc1nc(-c2cccc(CNc3nn(C)cc3[N+](=O)[O-])c2)cs1 ZINC001187182736 1388065515 /nfs/dbraw/zinc/06/55/15/1388065515.db2.gz KUZLQCFDYWVQMV-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN COc1cc(COC(=O)[C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1F ZINC001325915647 1388079768 /nfs/dbraw/zinc/07/97/68/1388079768.db2.gz GLUXLIWFGLOTDU-ONGXEEELSA-N 0 0 329.299 3.314 10 5 EGBERN COc1ccc(C[C@@H](C)N(C)c2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC001116050121 1370827604 /nfs/dbraw/zinc/82/76/04/1370827604.db2.gz OUXFZJOZYIDALL-CYBMUJFWSA-N 0 0 340.383 3.319 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116395375 1370903122 /nfs/dbraw/zinc/90/31/22/1370903122.db2.gz CWPMWXJNDDWEMZ-KRWDZBQOSA-N 0 0 338.367 3.166 10 5 EGBERN Cc1csc(CCCNc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC001117674849 1371061849 /nfs/dbraw/zinc/06/18/49/1371061849.db2.gz UMJOQNZXEMARBG-UHFFFAOYSA-N 0 0 328.397 3.375 10 5 EGBERN O=[N+]([O-])c1cnc(NC2CC3(CC3(F)F)C2)c(Br)c1 ZINC001118536813 1371194983 /nfs/dbraw/zinc/19/49/83/1371194983.db2.gz PVUPAIOMLJWXFT-UHFFFAOYSA-N 0 0 334.120 3.352 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118561372 1371198859 /nfs/dbraw/zinc/19/88/59/1371198859.db2.gz IXFLTBKEXGGJLY-SYEHKZFSSA-N 0 0 339.342 3.307 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@]23C[C@@H]2COC3(C)C)n1 ZINC001118603128 1371205986 /nfs/dbraw/zinc/20/59/86/1371205986.db2.gz WWIRZPJBGRNCHE-PIGZYNQJSA-N 0 0 329.356 3.328 10 5 EGBERN COC(=O)CC1CC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001187607153 1388129419 /nfs/dbraw/zinc/12/94/19/1388129419.db2.gz PTGAHRKVHNPHCP-UHFFFAOYSA-N 0 0 341.367 3.410 10 5 EGBERN COc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(F)c1OC ZINC001119507566 1371357392 /nfs/dbraw/zinc/35/73/92/1371357392.db2.gz MMSYXZOTJKKKHC-UHFFFAOYSA-N 0 0 332.331 3.267 10 5 EGBERN Cn1cnc2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001187632901 1388133479 /nfs/dbraw/zinc/13/34/79/1388133479.db2.gz FSFZISTZHVJQGA-UHFFFAOYSA-N 0 0 327.300 3.002 10 5 EGBERN CC(C)OC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001187654039 1388137774 /nfs/dbraw/zinc/13/77/74/1388137774.db2.gz BERIPIFWKNZMBY-UHFFFAOYSA-N 0 0 326.780 3.416 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001121286915 1371922580 /nfs/dbraw/zinc/92/25/80/1371922580.db2.gz VMBUGURKVFSNII-SJLPKXTDSA-N 0 0 344.367 3.372 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](CO)c1cc(F)ccc1F ZINC001187888636 1388184411 /nfs/dbraw/zinc/18/44/11/1388184411.db2.gz KMMZHHICTQTSMY-NSHDSACASA-N 0 0 329.690 3.067 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001187871692 1388181337 /nfs/dbraw/zinc/18/13/37/1388181337.db2.gz OPAJQSYLADCVMS-STMXVASLSA-N 0 0 341.367 3.219 10 5 EGBERN C[C@H](C(=O)O[C@H]1CCCc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001123108229 1372381934 /nfs/dbraw/zinc/38/19/34/1372381934.db2.gz FVFNVUBXSDVQFQ-NHYWBVRUSA-N 0 0 327.340 3.109 10 5 EGBERN C[C@@H](COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC001123242356 1372405460 /nfs/dbraw/zinc/40/54/60/1372405460.db2.gz QCRYNSBXZJSDPP-NWDGAFQWSA-N 0 0 339.363 3.443 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001123454453 1372475159 /nfs/dbraw/zinc/47/51/59/1372475159.db2.gz YNWMNGNKKWBLAV-NSHDSACASA-N 0 0 332.385 3.381 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001124114365 1372675327 /nfs/dbraw/zinc/67/53/27/1372675327.db2.gz JLMOVBZJMMVAPU-JKSUJKDBSA-N 0 0 340.335 3.124 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001124193831 1372682868 /nfs/dbraw/zinc/68/28/68/1372682868.db2.gz NCZLIKMRAKBUDT-ZIAGYGMSSA-N 0 0 326.308 3.066 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1OCCCO2 ZINC001124394267 1372698332 /nfs/dbraw/zinc/69/83/32/1372698332.db2.gz VUTDVZFSRAVSCD-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC001124396306 1372698552 /nfs/dbraw/zinc/69/85/52/1372698552.db2.gz JAQGLJWJYRAFLL-UHFFFAOYSA-N 0 0 330.300 3.076 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCSCc2ccccc2F)n1 ZINC001124478814 1372705467 /nfs/dbraw/zinc/70/54/67/1372705467.db2.gz YHVPMONAICSUAY-UHFFFAOYSA-N 0 0 349.387 3.101 10 5 EGBERN O=C(c1cccc(C(F)(F)F)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124645146 1372718955 /nfs/dbraw/zinc/71/89/55/1372718955.db2.gz ROYSCSLAWGTIHS-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001124676761 1372721245 /nfs/dbraw/zinc/72/12/45/1372721245.db2.gz XTLDPHRLLMOMAJ-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CCCCN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H](C)CC ZINC001124878295 1372737216 /nfs/dbraw/zinc/73/72/16/1372737216.db2.gz VFBSSPUKAQKQAF-ZDUSSCGKSA-N 0 0 345.403 3.216 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC001124963539 1372743459 /nfs/dbraw/zinc/74/34/59/1372743459.db2.gz XTOIBXKLIJWIGW-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001125181807 1372759029 /nfs/dbraw/zinc/75/90/29/1372759029.db2.gz HIRSQBVONCXTJH-SNVBAGLBSA-N 0 0 347.302 3.062 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001125316158 1372769834 /nfs/dbraw/zinc/76/98/34/1372769834.db2.gz KMXIGIPVUCHHGE-OAHLLOKOSA-N 0 0 348.305 3.311 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC001125644212 1372826626 /nfs/dbraw/zinc/82/66/26/1372826626.db2.gz XWFWFLRQYDXXBM-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN CC1(C)CO[C@@H](CCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001125910930 1372888532 /nfs/dbraw/zinc/88/85/32/1372888532.db2.gz DDYPOSYTLVNSJQ-HNNXBMFYSA-N 0 0 332.400 3.469 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC001126018210 1372911645 /nfs/dbraw/zinc/91/16/45/1372911645.db2.gz YHQSGFXZTFPSPM-UHFFFAOYSA-N 0 0 346.240 3.053 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC001126368180 1372961249 /nfs/dbraw/zinc/96/12/49/1372961249.db2.gz OJISGPNOLHEKNP-KBUPBQIOSA-N 0 0 331.416 3.114 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(-c3cccs3)ns2)n1 ZINC001127584077 1373143023 /nfs/dbraw/zinc/14/30/23/1373143023.db2.gz BXOOFVPCSOPCOG-UHFFFAOYSA-N 0 0 347.381 3.131 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1C ZINC001127680530 1373158880 /nfs/dbraw/zinc/15/88/80/1373158880.db2.gz NFSNQOIAQPKZJI-JTNHKYCSSA-N 0 0 335.356 3.348 10 5 EGBERN O=C(Oc1ccc2nccnc2c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001127694846 1373162524 /nfs/dbraw/zinc/16/25/24/1373162524.db2.gz KIONHQHUPGLTEU-GJZGRUSLSA-N 0 0 335.319 3.247 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@@H]1C ZINC001127765750 1373176904 /nfs/dbraw/zinc/17/69/04/1373176904.db2.gz HTEGSPFXBNKAPZ-BZPMIXESSA-N 0 0 344.371 3.157 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccn2)nc1 ZINC001128527477 1373283433 /nfs/dbraw/zinc/28/34/33/1373283433.db2.gz LGIZCEVMXDCVRQ-UHFFFAOYSA-N 0 0 348.362 3.024 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2cccc(C(F)(F)F)c21 ZINC001128778980 1373310406 /nfs/dbraw/zinc/31/04/06/1373310406.db2.gz QZRQLZDZWZNNGA-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nccnc1-c1ccccc1 ZINC001128788394 1373311264 /nfs/dbraw/zinc/31/12/64/1373311264.db2.gz PDBGOKIKUIMJCM-UHFFFAOYSA-N 0 0 334.335 3.233 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC001128881738 1373320819 /nfs/dbraw/zinc/32/08/19/1373320819.db2.gz QJHGMNAPRBALLO-UHFFFAOYSA-N 0 0 338.323 3.373 10 5 EGBERN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001129058205 1373341549 /nfs/dbraw/zinc/34/15/49/1373341549.db2.gz BJTDFKFZTBEIQI-CQSZACIVSA-N 0 0 348.786 3.236 10 5 EGBERN COc1cccc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1C ZINC001129108515 1373346967 /nfs/dbraw/zinc/34/69/67/1373346967.db2.gz QSVOLHPOFLDUOG-UHFFFAOYSA-N 0 0 330.315 3.254 10 5 EGBERN Cc1ccc(OCC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cc1C ZINC001129108134 1373347011 /nfs/dbraw/zinc/34/70/11/1373347011.db2.gz NFSPQPADKYFUHO-UHFFFAOYSA-N 0 0 344.342 3.319 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccccn1 ZINC001129161189 1373355137 /nfs/dbraw/zinc/35/51/37/1373355137.db2.gz LDGUEYYTHFOIQA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc(C(F)(F)F)co1 ZINC001129250103 1373365415 /nfs/dbraw/zinc/36/54/15/1373365415.db2.gz BFYQFNUHWUZKGI-UHFFFAOYSA-N 0 0 333.197 3.301 10 5 EGBERN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001129498141 1373391262 /nfs/dbraw/zinc/39/12/62/1373391262.db2.gz GJHAWAAHZSCLST-APPDUMDISA-N 0 0 334.372 3.065 10 5 EGBERN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001129499521 1373391272 /nfs/dbraw/zinc/39/12/72/1373391272.db2.gz VAETUZAHLSPWGX-APPDUMDISA-N 0 0 337.395 3.499 10 5 EGBERN COc1cc(C(=O)Nc2ccnc(Cl)c2F)ccc1[N+](=O)[O-] ZINC001129739493 1373419029 /nfs/dbraw/zinc/41/90/29/1373419029.db2.gz IKZZVDQXCYHWOA-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN Cc1nc(COC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c(C)o1 ZINC001129814928 1373425757 /nfs/dbraw/zinc/42/57/57/1373425757.db2.gz PEPMWSQDUGTFSC-UHFFFAOYSA-N 0 0 341.323 3.292 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cn1 ZINC001130103855 1373455640 /nfs/dbraw/zinc/45/56/40/1373455640.db2.gz OSOBFBMHYIVNNZ-UHFFFAOYSA-N 0 0 340.383 3.054 10 5 EGBERN CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001130523291 1373555438 /nfs/dbraw/zinc/55/54/38/1373555438.db2.gz VPHZGXZPIYLDCM-MRXNPFEDSA-N 0 0 332.331 3.380 10 5 EGBERN Cc1nc(CCC(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cs1 ZINC001130758939 1373588382 /nfs/dbraw/zinc/58/83/82/1373588382.db2.gz TZGCGBDMQHOXHT-UHFFFAOYSA-N 0 0 342.380 3.479 10 5 EGBERN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761057 1373589462 /nfs/dbraw/zinc/58/94/62/1373589462.db2.gz DMFOYARSOKYXLS-CMPLNLGQSA-N 0 0 327.340 3.087 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCc2cc(F)ccc21 ZINC001130850360 1373598267 /nfs/dbraw/zinc/59/82/67/1373598267.db2.gz UTAKEUBKXBCSGN-OAHLLOKOSA-N 0 0 346.270 3.278 10 5 EGBERN O=C(Oc1ccc(OC2CC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001130892538 1373603725 /nfs/dbraw/zinc/60/37/25/1373603725.db2.gz FXNJVFLFZZNDTI-UHFFFAOYSA-N 0 0 343.291 3.084 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2cnccc2n1 ZINC001130959431 1373616762 /nfs/dbraw/zinc/61/67/62/1373616762.db2.gz GUZGOLJUUQVDGT-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CCOc1cc(NC(=O)c2ncoc2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001131000368 1373623037 /nfs/dbraw/zinc/62/30/37/1373623037.db2.gz PZSNCIVMKFTHQT-GFCCVEGCSA-N 0 0 347.327 3.085 10 5 EGBERN CCOc1cc(NC(=O)c2cccc(C(=O)OC)c2)ccc1[N+](=O)[O-] ZINC001131000264 1373623057 /nfs/dbraw/zinc/62/30/57/1373623057.db2.gz MYMQUAMSMLEJLV-UHFFFAOYSA-N 0 0 344.323 3.032 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131051196 1373633217 /nfs/dbraw/zinc/63/32/17/1373633217.db2.gz CVRTZKBIPLPJDP-HNHYXYPQSA-N 0 0 342.307 3.458 10 5 EGBERN CCc1ccc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001131189985 1373659935 /nfs/dbraw/zinc/65/99/35/1373659935.db2.gz YIXLGSNELOWCHW-HNNXBMFYSA-N 0 0 344.342 3.030 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ncc2ccccn21 ZINC001131251053 1373669538 /nfs/dbraw/zinc/66/95/38/1373669538.db2.gz RTHVRQGVHDEAMB-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN Cc1cnccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251096 1373669549 /nfs/dbraw/zinc/66/95/49/1373669549.db2.gz UPJAZGJHFGBWBR-GORDUTHDSA-N 0 0 334.335 3.498 10 5 EGBERN O=C(Nc1ccc2c(c1)CCOC2)c1cc(F)c([N+](=O)[O-])cc1F ZINC001131303461 1373677721 /nfs/dbraw/zinc/67/77/21/1373677721.db2.gz SVJWAPGUCIFCHA-UHFFFAOYSA-N 0 0 334.278 3.198 10 5 EGBERN Cc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001131544225 1373718175 /nfs/dbraw/zinc/71/81/75/1373718175.db2.gz IXUYLRUPVYWOAN-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN O=C(NCc1cccc(F)c1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001131700188 1373770828 /nfs/dbraw/zinc/77/08/28/1373770828.db2.gz ZWWPBJLZQNBWOG-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN COc1cccc(C(=O)OCc2ccc3c(c2)C[C@H](C)O3)c1[N+](=O)[O-] ZINC001131788865 1373807122 /nfs/dbraw/zinc/80/71/22/1373807122.db2.gz CAORBOOPLZAICS-NSHDSACASA-N 0 0 343.335 3.284 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001131868445 1373850904 /nfs/dbraw/zinc/85/09/04/1373850904.db2.gz BUXWLDZDKYNIGL-WDEREUQCSA-N 0 0 332.278 3.207 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC001131973771 1375078426 /nfs/dbraw/zinc/07/84/26/1375078426.db2.gz QJCTUHNKLQEMKM-NSHDSACASA-N 0 0 339.351 3.317 10 5 EGBERN CCc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC001132418529 1375367369 /nfs/dbraw/zinc/36/73/69/1375367369.db2.gz JVYAKSYZDOTABA-UHFFFAOYSA-N 0 0 333.775 3.444 10 5 EGBERN COc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001132442125 1375387168 /nfs/dbraw/zinc/38/71/68/1375387168.db2.gz NPTGNAKJBLGEJC-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2cccc([N+](=O)[O-])c2Br)CO1 ZINC001327103032 1388381671 /nfs/dbraw/zinc/38/16/71/1388381671.db2.gz LFAXGQBIPZWMKI-QMMMGPOBSA-N 0 0 344.161 3.082 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001132877600 1375618117 /nfs/dbraw/zinc/61/81/17/1375618117.db2.gz XBMUJJSKPKJVDU-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1cocc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001133149710 1375809340 /nfs/dbraw/zinc/80/93/40/1375809340.db2.gz WOEXXXSZSWDGTB-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN O=C(NCc1cccc2ncccc12)c1c(F)cccc1[N+](=O)[O-] ZINC001133248276 1375867539 /nfs/dbraw/zinc/86/75/39/1375867539.db2.gz YZFXHPLVBRHUGO-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(C(F)(F)F)s2)n1 ZINC001133306691 1375912556 /nfs/dbraw/zinc/91/25/56/1375912556.db2.gz IZBBOJXJCGQCCV-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001133654620 1376140508 /nfs/dbraw/zinc/14/05/08/1376140508.db2.gz OKCKNWKROOAOAX-BYCMXARLSA-N 0 0 348.399 3.140 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N=[S@](C)(=O)c1ccccc1 ZINC001133776388 1376202085 /nfs/dbraw/zinc/20/20/85/1376202085.db2.gz ZAUDNKNJNRODIM-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN Nc1c(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001133818516 1376216767 /nfs/dbraw/zinc/21/67/67/1376216767.db2.gz KUBXLDKCUWNNOC-NJZAAPMLSA-N 0 0 339.395 3.496 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)c(F)cc2O1 ZINC001133930741 1376269509 /nfs/dbraw/zinc/26/95/09/1376269509.db2.gz MXCJFDIZCFNRCD-SSDOTTSWSA-N 0 0 340.307 3.362 10 5 EGBERN C[S@](=O)(=NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001133994500 1376301607 /nfs/dbraw/zinc/30/16/07/1376301607.db2.gz GRDVWBNXENCNEP-UQBDUDKASA-N 0 0 330.365 3.292 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1OCC2 ZINC001134037466 1376322704 /nfs/dbraw/zinc/32/27/04/1376322704.db2.gz MGQFMERHWNAPGH-UHFFFAOYSA-N 0 0 344.392 3.182 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cc(C)cc1F ZINC001134049048 1376330438 /nfs/dbraw/zinc/33/04/38/1376330438.db2.gz FLOZEOVGEPTTQF-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN O=C(N[C@H]1CCCC2(CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001134137522 1376384490 /nfs/dbraw/zinc/38/44/90/1376384490.db2.gz OTEGWPWJABFPQO-ZDUSSCGKSA-N 0 0 340.383 3.233 10 5 EGBERN O=C(N[C@@H]1CCCC2(CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001134137521 1376385012 /nfs/dbraw/zinc/38/50/12/1376385012.db2.gz OTEGWPWJABFPQO-CYBMUJFWSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1ccn2cc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC001134270398 1376447672 /nfs/dbraw/zinc/44/76/72/1376447672.db2.gz FATGIZLAMXTIOX-ZDUSSCGKSA-N 0 0 338.367 3.084 10 5 EGBERN Cc1noc(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC001134368276 1376497035 /nfs/dbraw/zinc/49/70/35/1376497035.db2.gz VTMWNBCTLAXIHJ-UHFFFAOYSA-N 0 0 338.323 3.129 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc2C1 ZINC001134454734 1376547257 /nfs/dbraw/zinc/54/72/57/1376547257.db2.gz DHZFYXCLRJIKPD-QGZVFWFLSA-N 0 0 342.370 3.340 10 5 EGBERN Cc1cnc2cc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001134502186 1376571730 /nfs/dbraw/zinc/57/17/30/1376571730.db2.gz TXVMACGLPGJLAV-LBPRGKRZSA-N 0 0 338.367 3.084 10 5 EGBERN O=C(NCc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])s1 ZINC001134564469 1376597296 /nfs/dbraw/zinc/59/72/96/1376597296.db2.gz YFDLCYDLKWRNCO-UHFFFAOYSA-N 0 0 329.337 3.241 10 5 EGBERN Cn1nc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001134890861 1376770584 /nfs/dbraw/zinc/77/05/84/1376770584.db2.gz GFFFNBQYDUSSSE-UHFFFAOYSA-N 0 0 338.367 3.398 10 5 EGBERN COc1ccc(CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1OC ZINC001135145364 1376933666 /nfs/dbraw/zinc/93/36/66/1376933666.db2.gz QPONWDSHBPDFMI-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001135311939 1377032121 /nfs/dbraw/zinc/03/21/21/1377032121.db2.gz AVFCSULNZDUATG-RNCFNFMXSA-N 0 0 328.372 3.239 10 5 EGBERN COc1cccc([C@@]2(C)CCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC001261655331 1377125723 /nfs/dbraw/zinc/12/57/23/1377125723.db2.gz SWKOVVCHNAFVGN-SFHVURJKSA-N 0 0 344.415 3.038 10 5 EGBERN CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001135942308 1377271961 /nfs/dbraw/zinc/27/19/61/1377271961.db2.gz UHIVHYYSFKCMLZ-UHFFFAOYSA-N 0 0 332.331 3.451 10 5 EGBERN CNC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001136099171 1377342976 /nfs/dbraw/zinc/34/29/76/1377342976.db2.gz QKJJXEUKKCUEIB-UHFFFAOYSA-N 0 0 348.746 3.252 10 5 EGBERN COc1ccc2c(c1)OCC(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)=C2 ZINC001266631186 1377352107 /nfs/dbraw/zinc/35/21/07/1377352107.db2.gz OQRXBKJEKSJKRX-UHFFFAOYSA-N 0 0 340.335 3.326 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCOc2ccccc2C1 ZINC001136510176 1377401018 /nfs/dbraw/zinc/40/10/18/1377401018.db2.gz PHROAZPNEVFONP-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN CC(C)(C)n1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)nc2ccccc21 ZINC001136555295 1377404188 /nfs/dbraw/zinc/40/41/88/1377404188.db2.gz KNACOEJWGXMYIX-UHFFFAOYSA-N 0 0 327.344 3.280 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001136839876 1377428890 /nfs/dbraw/zinc/42/88/90/1377428890.db2.gz WLISCTCWUWZMOW-UHFFFAOYSA-N 0 0 345.252 3.267 10 5 EGBERN CSc1ccncc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001137169353 1377490264 /nfs/dbraw/zinc/49/02/64/1377490264.db2.gz XULHPCPDQSGGLA-UHFFFAOYSA-N 0 0 345.380 3.313 10 5 EGBERN COc1ncc(C)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001137250272 1377504202 /nfs/dbraw/zinc/50/42/02/1377504202.db2.gz SPDXFGHJRBNZNB-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001137784719 1377616187 /nfs/dbraw/zinc/61/61/87/1377616187.db2.gz DYFPRJGBNVHYDM-UHFFFAOYSA-N 0 0 344.342 3.217 10 5 EGBERN CNc1nccc(C(=O)N(C)c2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC001137895706 1377641058 /nfs/dbraw/zinc/64/10/58/1377641058.db2.gz IHVRJRHCOXXZIP-UHFFFAOYSA-N 0 0 338.726 3.101 10 5 EGBERN Cc1cc(Cl)cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1N ZINC001138819309 1377790874 /nfs/dbraw/zinc/79/08/74/1377790874.db2.gz JWMFENGWCRUMDZ-UHFFFAOYSA-N 0 0 347.802 3.454 10 5 EGBERN O=C(Nc1ccn2nccc2n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001277347328 1378218227 /nfs/dbraw/zinc/21/82/27/1378218227.db2.gz REQSEENZXACBIN-UHFFFAOYSA-N 0 0 339.336 3.105 10 5 EGBERN CNc1ccc(C(=O)N2CC(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001141365580 1378311727 /nfs/dbraw/zinc/31/17/27/1378311727.db2.gz HWFFRLNBGRFHIU-UHFFFAOYSA-N 0 0 329.331 3.015 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC001280183589 1378334548 /nfs/dbraw/zinc/33/45/48/1378334548.db2.gz ZBPQBZAQSGLLHX-VNQPRFMTSA-N 0 0 343.770 3.020 10 5 EGBERN CC[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001141515106 1378337443 /nfs/dbraw/zinc/33/74/43/1378337443.db2.gz PEVGVJTYRPNFEL-LBPRGKRZSA-N 0 0 334.763 3.107 10 5 EGBERN C[C@@H](C(=O)NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141575544 1378345987 /nfs/dbraw/zinc/34/59/87/1378345987.db2.gz HPQHFDSVXXWASF-OGOUPESXSA-N 0 0 329.331 3.062 10 5 EGBERN O=C(NCc1csc2ccccc12)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141699259 1378363812 /nfs/dbraw/zinc/36/38/12/1378363812.db2.gz NMFALAGTIMEGPB-UHFFFAOYSA-N 0 0 336.760 3.116 10 5 EGBERN COc1c(F)cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1F ZINC001141987910 1378400804 /nfs/dbraw/zinc/40/08/04/1378400804.db2.gz YISUMWLXYVIJBB-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001142062750 1378409852 /nfs/dbraw/zinc/40/98/52/1378409852.db2.gz TVGFFNNLGGEZMJ-JTQLQIEISA-N 0 0 346.314 3.263 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(F)c1 ZINC001142492919 1378448202 /nfs/dbraw/zinc/44/82/02/1378448202.db2.gz DMMJRMUYLUGHDK-UHFFFAOYSA-N 0 0 337.282 3.106 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001142506328 1378449827 /nfs/dbraw/zinc/44/98/27/1378449827.db2.gz ONFIJCXDARVAET-MWLCHTKSSA-N 0 0 325.796 3.385 10 5 EGBERN C[C@H](c1ccccn1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001142732891 1378482679 /nfs/dbraw/zinc/48/26/79/1378482679.db2.gz OLUVITLRSCTIPA-LLVKDONJSA-N 0 0 333.775 3.405 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001142746162 1378483362 /nfs/dbraw/zinc/48/33/62/1378483362.db2.gz FTDCLXPGWRSFAI-YRGRVCCFSA-N 0 0 334.420 3.010 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001327549884 1388557968 /nfs/dbraw/zinc/55/79/68/1388557968.db2.gz HRZFDXGOMAIZQA-IUODEOHRSA-N 0 0 337.372 3.240 10 5 EGBERN CCN(C)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001144574339 1378747532 /nfs/dbraw/zinc/74/75/32/1378747532.db2.gz RBBPFNRFRLDNAI-UHFFFAOYSA-N 0 0 331.347 3.120 10 5 EGBERN Cc1ccc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)cc1[N+](=O)[O-] ZINC001146817640 1378926865 /nfs/dbraw/zinc/92/68/65/1378926865.db2.gz VKRGSRWEPHGZEK-UHFFFAOYSA-N 0 0 331.259 3.141 10 5 EGBERN O=C(CCCC(=O)c1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC001146934330 1378945529 /nfs/dbraw/zinc/94/55/29/1378945529.db2.gz LLQICVCFRCXBOZ-UHFFFAOYSA-N 0 0 326.352 3.264 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001327687403 1388582588 /nfs/dbraw/zinc/58/25/88/1388582588.db2.gz FBBFTSVQDPLWJK-ZFRGLUTLSA-N 0 0 346.717 3.490 10 5 EGBERN CO[C@@]1(C)C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001147882272 1379097070 /nfs/dbraw/zinc/09/70/70/1379097070.db2.gz VCIUUKYTKRKXCI-NHYWBVRUSA-N 0 0 344.770 3.321 10 5 EGBERN C[C@@H](Cc1ccncc1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001148257557 1379140602 /nfs/dbraw/zinc/14/06/02/1379140602.db2.gz QIEXBGILEYJHMA-VIFPVBQESA-N 0 0 337.738 3.143 10 5 EGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nccn1C ZINC001149438561 1379383432 /nfs/dbraw/zinc/38/34/32/1379383432.db2.gz OOMJPNPSEPUGKE-SECBINFHSA-N 0 0 330.369 3.034 10 5 EGBERN CCCOc1cc(F)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001150445115 1379553888 /nfs/dbraw/zinc/55/38/88/1379553888.db2.gz FCWHSHLZAQDNKY-MRXNPFEDSA-N 0 0 348.330 3.195 10 5 EGBERN COc1ccnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001153238330 1380042096 /nfs/dbraw/zinc/04/20/96/1380042096.db2.gz YTKGYRBSJGQNKD-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(N)c([N+](=O)[O-])c1 ZINC001153256299 1380046417 /nfs/dbraw/zinc/04/64/17/1380046417.db2.gz QLKVHFNUQSWAOE-GFCCVEGCSA-N 0 0 339.395 3.465 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001154261877 1380242200 /nfs/dbraw/zinc/24/22/00/1380242200.db2.gz FMYSAWVKLLTWKR-NSHDSACASA-N 0 0 346.770 3.159 10 5 EGBERN C[C@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1 ZINC001154728860 1380341256 /nfs/dbraw/zinc/34/12/56/1380341256.db2.gz XHYBYAUFNQGQLQ-TVQRCGJNSA-N 0 0 334.763 3.195 10 5 EGBERN Cc1c(C(=O)NCc2ccc(O)c3ncccc23)cccc1[N+](=O)[O-] ZINC001157937302 1381075792 /nfs/dbraw/zinc/07/57/92/1381075792.db2.gz OFTDZTVUSLRXRT-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231752 1381168376 /nfs/dbraw/zinc/16/83/76/1381168376.db2.gz IRMQNHQPKKCSNE-BYCMXARLSA-N 0 0 325.368 3.474 10 5 EGBERN Cc1ccc(CNC(=O)c2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC001287962149 1381450341 /nfs/dbraw/zinc/45/03/41/1381450341.db2.gz LJVNQVRIDJEUQN-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CSc2ccccc21 ZINC001159237593 1381740812 /nfs/dbraw/zinc/74/08/12/1381740812.db2.gz GNGSLMBGHGXFSJ-GFCCVEGCSA-N 0 0 346.383 3.282 10 5 EGBERN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001159715663 1381877936 /nfs/dbraw/zinc/87/79/36/1381877936.db2.gz LCVLILMZNQDIDN-LSDHHAIUSA-N 0 0 349.350 3.122 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC001288749917 1381924966 /nfs/dbraw/zinc/92/49/66/1381924966.db2.gz PHRLMPGARFICRR-SNVBAGLBSA-N 0 0 345.311 3.003 10 5 EGBERN CCc1ccc([C@@H]2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001159908973 1381934154 /nfs/dbraw/zinc/93/41/54/1381934154.db2.gz MCDNGAINMZVBPW-GFCCVEGCSA-N 0 0 348.790 3.163 10 5 EGBERN C[C@@H]1C[C@H](C)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001288960015 1381968118 /nfs/dbraw/zinc/96/81/18/1381968118.db2.gz UXGRJQMDBMFCBK-CHWSQXEVSA-N 0 0 349.387 3.330 10 5 EGBERN COc1cccc(F)c1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289338672 1381992961 /nfs/dbraw/zinc/99/29/61/1381992961.db2.gz CCOPLIPJIRAIIO-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC001160239108 1382044359 /nfs/dbraw/zinc/04/43/59/1382044359.db2.gz PFCIEZWQJCTQRN-MRVPVSSYSA-N 0 0 328.649 3.458 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001290331709 1382082280 /nfs/dbraw/zinc/08/22/80/1382082280.db2.gz NWRSYXTYZWUSNZ-UHFFFAOYSA-N 0 0 346.314 3.231 10 5 EGBERN COc1ccc(/C=C(/C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC001160696436 1382173581 /nfs/dbraw/zinc/17/35/81/1382173581.db2.gz KYBPMQVIZITGOP-YFHOEESVSA-N 0 0 345.330 3.367 10 5 EGBERN CC(C)[C@H](O)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001293600477 1382311913 /nfs/dbraw/zinc/31/19/13/1382311913.db2.gz YPRDRIVXVFCWDL-LLVKDONJSA-N 0 0 335.187 3.038 10 5 EGBERN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293608044 1382314011 /nfs/dbraw/zinc/31/40/11/1382314011.db2.gz LLKYOOMFLAOCGP-HNNXBMFYSA-N 0 0 339.395 3.333 10 5 EGBERN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)c2ccc(F)cc21 ZINC001294204020 1382427271 /nfs/dbraw/zinc/42/72/71/1382427271.db2.gz FMNCJLYXEUECDZ-UHFFFAOYSA-N 0 0 349.749 3.484 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)c(F)c1 ZINC001295154300 1382557886 /nfs/dbraw/zinc/55/78/86/1382557886.db2.gz QPLQYAFKUZOWKT-YFKPBYRVSA-N 0 0 347.133 3.255 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)SC ZINC001295430215 1382639129 /nfs/dbraw/zinc/63/91/29/1382639129.db2.gz OSFLLGVBMGGAPR-GFCCVEGCSA-N 0 0 349.460 3.451 10 5 EGBERN COc1ccc(NC(=O)c2c3cn[nH]c3ccc2C)cc1[N+](=O)[O-] ZINC001295474233 1382651233 /nfs/dbraw/zinc/65/12/33/1382651233.db2.gz ARMCVSFDJHFIQN-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC001162824451 1382887724 /nfs/dbraw/zinc/88/77/24/1382887724.db2.gz ZLCAUHHDURACSB-UHFFFAOYSA-N 0 0 347.331 3.020 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@@H]1OC ZINC001162994736 1382941395 /nfs/dbraw/zinc/94/13/95/1382941395.db2.gz MDFKBMLYBHFAOE-WZRBSPASSA-N 0 0 334.294 3.218 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCC1(CO)CC3(CCC3)C1)CCCC2 ZINC001163179506 1382985486 /nfs/dbraw/zinc/98/54/86/1382985486.db2.gz QMQYPGYQMJRONR-UHFFFAOYSA-N 0 0 331.416 3.223 10 5 EGBERN O=[N+]([O-])c1ccccc1CCNc1nc2ccccc2n2cncc12 ZINC001163197696 1382990410 /nfs/dbraw/zinc/99/04/10/1382990410.db2.gz MXALVRIASKVROK-UHFFFAOYSA-N 0 0 333.351 3.445 10 5 EGBERN COc1ccc(Cl)cc1[C@H](O)CNc1ncc(C)cc1[N+](=O)[O-] ZINC001163294865 1383014908 /nfs/dbraw/zinc/01/49/08/1383014908.db2.gz SGMCBORHGNWKIF-CYBMUJFWSA-N 0 0 337.763 3.106 10 5 EGBERN CCc1cc(N[C@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163334845 1383024967 /nfs/dbraw/zinc/02/49/67/1383024967.db2.gz NODALPGJFCLDAG-HNNXBMFYSA-N 0 0 342.399 3.016 10 5 EGBERN CN(CC(C)(C)CO)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001163404551 1383043822 /nfs/dbraw/zinc/04/38/22/1383043822.db2.gz RUEUJGXPJJLKOE-UHFFFAOYSA-N 0 0 342.395 3.281 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCCSC3)c2c1 ZINC001163419962 1383048443 /nfs/dbraw/zinc/04/84/43/1383048443.db2.gz VYOKEIPIWUVFOP-JTQLQIEISA-N 0 0 348.384 3.028 10 5 EGBERN Cc1nc(N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)ncc1[N+](=O)[O-] ZINC001163436535 1383051787 /nfs/dbraw/zinc/05/17/87/1383051787.db2.gz BWLDLSQODFBJLX-HZPDHXFCSA-N 0 0 342.399 3.376 10 5 EGBERN COc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1SC ZINC001163472131 1383058552 /nfs/dbraw/zinc/05/85/52/1383058552.db2.gz FFDJSPXYNQRWAP-UHFFFAOYSA-N 0 0 333.369 3.168 10 5 EGBERN COc1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1F ZINC001296796499 1383065299 /nfs/dbraw/zinc/06/52/99/1383065299.db2.gz FTAMSAGUCPFBFM-UHFFFAOYSA-N 0 0 339.710 3.230 10 5 EGBERN Cc1cc(C)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001297105862 1383118426 /nfs/dbraw/zinc/11/84/26/1383118426.db2.gz JURCGVXMRQXURF-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN COCc1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)cc1OC ZINC001163847482 1383128863 /nfs/dbraw/zinc/12/88/63/1383128863.db2.gz XFEGLTAKOJNJRO-UHFFFAOYSA-N 0 0 346.368 3.498 10 5 EGBERN Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)n1 ZINC001163856582 1383129953 /nfs/dbraw/zinc/12/99/53/1383129953.db2.gz GSVXNNIFEWVTRJ-UHFFFAOYSA-N 0 0 337.339 3.128 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001163877046 1383131911 /nfs/dbraw/zinc/13/19/11/1383131911.db2.gz HGAMUMBUZBJSOL-MRVWCRGKSA-N 0 0 336.413 3.004 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001164098701 1383156053 /nfs/dbraw/zinc/15/60/53/1383156053.db2.gz CTENZIMGAIAPIQ-JTQLQIEISA-N 0 0 342.783 3.065 10 5 EGBERN Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)n2)cc1 ZINC001164135641 1383159952 /nfs/dbraw/zinc/15/99/52/1383159952.db2.gz UTFSZDBRMXWWJV-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC(=O)c1ccc(NCC2(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001164248337 1383171112 /nfs/dbraw/zinc/17/11/12/1383171112.db2.gz ANWDXCXBNLZBAZ-UHFFFAOYSA-N 0 0 349.387 3.267 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CC(Cc4ccoc4)C3)c2c1 ZINC001164302789 1383175874 /nfs/dbraw/zinc/17/58/74/1383175874.db2.gz IKNRSDOMLPWYOI-UHFFFAOYSA-N 0 0 339.351 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCCc1cccc(F)c1 ZINC001164670972 1383216096 /nfs/dbraw/zinc/21/60/96/1383216096.db2.gz BRDUODNTQCVBHQ-UHFFFAOYSA-N 0 0 337.372 3.449 10 5 EGBERN Cc1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001165857116 1383352921 /nfs/dbraw/zinc/35/29/21/1383352921.db2.gz QVYWXHLEFUUHRJ-UHFFFAOYSA-N 0 0 334.259 3.212 10 5 EGBERN COc1c(F)nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001298192595 1383381078 /nfs/dbraw/zinc/38/10/78/1383381078.db2.gz ZIBBTWFRPCUFFI-UHFFFAOYSA-N 0 0 348.334 3.210 10 5 EGBERN CCC(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001166742549 1383469293 /nfs/dbraw/zinc/46/92/93/1383469293.db2.gz SDPOYOVOZGKRLU-UHFFFAOYSA-N 0 0 327.340 3.238 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCC2 ZINC001166808516 1383480541 /nfs/dbraw/zinc/48/05/41/1383480541.db2.gz ZHVZWCOPGIFSQG-GJZGRUSLSA-N 0 0 347.415 3.033 10 5 EGBERN Nc1c(C(=O)NCCCC2CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001167180559 1383560482 /nfs/dbraw/zinc/56/04/82/1383560482.db2.gz GARLBVIDKZOTEP-UHFFFAOYSA-N 0 0 329.759 3.280 10 5 EGBERN C[C@]1(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(F)F ZINC001167189411 1383561976 /nfs/dbraw/zinc/56/19/76/1383561976.db2.gz ZBJQPNYQLILQSO-ZDUSSCGKSA-N 0 0 332.734 3.342 10 5 EGBERN CC(=O)Nc1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001167235180 1383571886 /nfs/dbraw/zinc/57/18/86/1383571886.db2.gz ABRISPZCFQPGGQ-UHFFFAOYSA-N 0 0 338.323 3.287 10 5 EGBERN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC001167250381 1383575605 /nfs/dbraw/zinc/57/56/05/1383575605.db2.gz IRWQXFDJRDAVEO-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)Oc3ccccc32)c1 ZINC001167426680 1383631385 /nfs/dbraw/zinc/63/13/85/1383631385.db2.gz XSRAZKONAUHSTO-LBPRGKRZSA-N 0 0 342.351 3.169 10 5 EGBERN CC(C)(C(=O)NC1CC(Cl)(Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC001304043863 1383825125 /nfs/dbraw/zinc/82/51/25/1383825125.db2.gz BVCATIZRSGANIG-UHFFFAOYSA-N 0 0 349.189 3.464 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1(c2ccccn2)CC1 ZINC001306863377 1383912153 /nfs/dbraw/zinc/91/21/53/1383912153.db2.gz XIOKCKLXETVBIQ-UHFFFAOYSA-N 0 0 334.335 3.208 10 5 EGBERN Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])s1 ZINC001306922420 1383921229 /nfs/dbraw/zinc/92/12/29/1383921229.db2.gz NFLZZVFEWDJXRI-GHMZBOCLSA-N 0 0 327.450 3.264 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)CC(C)(C)C ZINC001306970825 1383927822 /nfs/dbraw/zinc/92/78/22/1383927822.db2.gz YPHBJZGRFZGHKC-JTQLQIEISA-N 0 0 344.795 3.244 10 5 EGBERN O=C(N[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001306979067 1383929094 /nfs/dbraw/zinc/92/90/94/1383929094.db2.gz QABGATFUBGXQQI-ZDUSSCGKSA-N 0 0 331.397 3.055 10 5 EGBERN NC(=O)c1cc(NCc2csc(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC001306996192 1383931611 /nfs/dbraw/zinc/93/16/11/1383931611.db2.gz WBWDRLFYPBWAHT-UHFFFAOYSA-N 0 0 344.352 3.022 10 5 EGBERN Cc1c(Nc2cc(F)c([N+](=O)[O-])cc2CO)cnn1-c1ccccc1 ZINC001307076045 1383937068 /nfs/dbraw/zinc/93/70/68/1383937068.db2.gz ZVRLXFNCXNDTKI-UHFFFAOYSA-N 0 0 342.330 3.464 10 5 EGBERN CCOC(=O)[C@@H]1CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001307077099 1383937592 /nfs/dbraw/zinc/93/75/92/1383937592.db2.gz PVLFKKRCIPCRSO-LLVKDONJSA-N 0 0 347.346 3.062 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(SC[C@@H]3CCCO3)c2c1 ZINC001307092468 1383939071 /nfs/dbraw/zinc/93/90/71/1383939071.db2.gz FKNZMEXCWQFZQH-JTQLQIEISA-N 0 0 335.341 3.322 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001307105859 1383940797 /nfs/dbraw/zinc/94/07/97/1383940797.db2.gz YVGKIJYLRYSTRU-LBPRGKRZSA-N 0 0 335.404 3.490 10 5 EGBERN Cc1cc(Nc2cccc(O[C@@H]3CC(=O)N3)c2)c(F)cc1[N+](=O)[O-] ZINC001307139219 1383944289 /nfs/dbraw/zinc/94/42/89/1383944289.db2.gz CLDACJSSJBAJEN-MRXNPFEDSA-N 0 0 331.303 3.011 10 5 EGBERN C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001168603205 1383946525 /nfs/dbraw/zinc/94/65/25/1383946525.db2.gz DKXINOJVDAHYOW-SECBINFHSA-N 0 0 330.369 3.156 10 5 EGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001307206362 1383956574 /nfs/dbraw/zinc/95/65/74/1383956574.db2.gz KWCLITCWLVKABI-QMMMGPOBSA-N 0 0 333.329 3.385 10 5 EGBERN CC[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C(=O)OC(C)(C)C ZINC001307211738 1383957773 /nfs/dbraw/zinc/95/77/73/1383957773.db2.gz HBGPQINNYSXUAC-LLVKDONJSA-N 0 0 346.387 3.318 10 5 EGBERN COC(=O)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Br ZINC001307210675 1383957882 /nfs/dbraw/zinc/95/78/82/1383957882.db2.gz VCOLPWKLMPXTAU-UHFFFAOYSA-N 0 0 345.193 3.359 10 5 EGBERN COc1cc(CN(C)c2ccc([N+](=O)[O-])c3cnccc32)sn1 ZINC001307219910 1383959096 /nfs/dbraw/zinc/95/90/96/1383959096.db2.gz ZSNSBVQIOUZSQK-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN CC(C)(C)OC(=O)NCCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307219726 1383959699 /nfs/dbraw/zinc/95/96/99/1383959699.db2.gz RQJPOTGATNLRMJ-UHFFFAOYSA-N 0 0 338.389 3.088 10 5 EGBERN CCOc1cc(NC2CC(NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC001307224905 1383960526 /nfs/dbraw/zinc/96/05/26/1383960526.db2.gz MFTACGNYWLHLDT-UHFFFAOYSA-N 0 0 333.310 3.088 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCc3cc(F)cc(F)c3C2)c(Cl)c1 ZINC001307234096 1383963008 /nfs/dbraw/zinc/96/30/08/1383963008.db2.gz KHHGJPZVLHCUQS-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1c(Cl)cncc1Cl ZINC001307277059 1383965706 /nfs/dbraw/zinc/96/57/06/1383965706.db2.gz IGBKODCKNIITAY-UHFFFAOYSA-N 0 0 340.122 3.253 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCc1ccc(CN2CCOCC2)cc1 ZINC001307288706 1383967026 /nfs/dbraw/zinc/96/70/26/1383967026.db2.gz LZUASCNWNANIMD-UHFFFAOYSA-N 0 0 342.395 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOc2ccc([N+](=O)[O-])c(F)c2F)cc1 ZINC001307345031 1383974486 /nfs/dbraw/zinc/97/44/86/1383974486.db2.gz HCHKKHCPAQPAEK-UHFFFAOYSA-N 0 0 340.238 3.239 10 5 EGBERN O=[N+]([O-])c1cc(CS(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC001307396553 1383982022 /nfs/dbraw/zinc/98/20/22/1383982022.db2.gz REGDLRCTJCDKCE-UHFFFAOYSA-N 0 0 329.736 3.361 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC001307661300 1384009470 /nfs/dbraw/zinc/00/94/70/1384009470.db2.gz PRXLBAVRDBTYOV-TZMCWYRMSA-N 0 0 330.306 3.457 10 5 EGBERN O=C(CN1CCc2c1cccc2F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307660779 1384009889 /nfs/dbraw/zinc/00/98/89/1384009889.db2.gz UVEZEDNCPSAMLF-UHFFFAOYSA-N 0 0 349.749 3.389 10 5 EGBERN CON(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)o1 ZINC001308092870 1384090514 /nfs/dbraw/zinc/09/05/14/1384090514.db2.gz OFPSCNRZSFIJSR-UHFFFAOYSA-N 0 0 347.371 3.197 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001312313040 1384339318 /nfs/dbraw/zinc/33/93/18/1384339318.db2.gz JLRKTTJPXGCDBU-HUUCEWRRSA-N 0 0 335.404 3.160 10 5 EGBERN CCC[C@H](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001312594495 1384359337 /nfs/dbraw/zinc/35/93/37/1384359337.db2.gz JEQZBXMXPNDJQI-NSHDSACASA-N 0 0 333.392 3.097 10 5 EGBERN C[C@@H](CNC(=O)N(O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001313352200 1384412388 /nfs/dbraw/zinc/41/23/88/1384412388.db2.gz NEKAUWXWSMQLBV-ZDUSSCGKSA-N 0 0 329.356 3.299 10 5 EGBERN C[C@H](CNC(=O)NC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001313350319 1384412404 /nfs/dbraw/zinc/41/24/04/1384412404.db2.gz DNDQMWHYDIKCNU-CQSZACIVSA-N 0 0 349.431 3.083 10 5 EGBERN O=C(C1=CCCCCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001313445645 1384425008 /nfs/dbraw/zinc/42/50/08/1384425008.db2.gz ZMTREHMMZNXCRZ-UHFFFAOYSA-N 0 0 343.427 3.130 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(O)ccc2C)c1 ZINC001171478517 1384534950 /nfs/dbraw/zinc/53/49/50/1384534950.db2.gz IRUQOGDDVYAQLO-UHFFFAOYSA-N 0 0 330.340 3.325 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC001177105548 1385815608 /nfs/dbraw/zinc/81/56/08/1385815608.db2.gz OPJJONWTXFQADM-ZDUSSCGKSA-N 0 0 334.269 3.457 10 5 EGBERN CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2O1 ZINC001179614439 1386532129 /nfs/dbraw/zinc/53/21/29/1386532129.db2.gz UFFADHCRWVXVRF-NSHDSACASA-N 0 0 332.312 3.035 10 5 EGBERN COc1cccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1Cl ZINC001179879570 1386616302 /nfs/dbraw/zinc/61/63/02/1386616302.db2.gz OSRXIHWLHNWIOW-UHFFFAOYSA-N 0 0 349.774 3.329 10 5 EGBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1csc([N+](=O)[O-])c1 ZINC001180261358 1386750036 /nfs/dbraw/zinc/75/00/36/1386750036.db2.gz KRYKQVGXTRTEDB-UHFFFAOYSA-N 0 0 342.380 3.319 10 5 EGBERN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329184811 1389009974 /nfs/dbraw/zinc/00/99/74/1389009974.db2.gz RUTFYGXPLCSJCU-LBPRGKRZSA-N 0 0 344.367 3.160 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC(CC2CCOCC2)C1 ZINC001332022300 1389949529 /nfs/dbraw/zinc/94/95/29/1389949529.db2.gz WNBWENDZXUPPFO-UHFFFAOYSA-N 0 0 334.416 3.242 10 5 EGBERN C[C@H](NC(=O)Nc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC001332763236 1390183020 /nfs/dbraw/zinc/18/30/20/1390183020.db2.gz ZTXCNTIYGYYFGI-JTQLQIEISA-N 0 0 329.360 3.088 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001332798508 1390190108 /nfs/dbraw/zinc/19/01/08/1390190108.db2.gz UAZYCXQTAJWFOM-IMJCEVDSSA-N 0 0 339.342 3.389 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001332953332 1390223723 /nfs/dbraw/zinc/22/37/23/1390223723.db2.gz VGKPMOOFJIIMOR-CQSZACIVSA-N 0 0 348.790 3.117 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001334453652 1390540623 /nfs/dbraw/zinc/54/06/23/1390540623.db2.gz JRABGBGELSGBSW-HNNXBMFYSA-N 0 0 328.796 3.228 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001344340350 1390784622 /nfs/dbraw/zinc/78/46/22/1390784622.db2.gz AGBBTVJUDCVEKI-DOTOQJQBSA-N 0 0 349.383 3.162 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001344340351 1390784717 /nfs/dbraw/zinc/78/47/17/1390784717.db2.gz AGBBTVJUDCVEKI-NVXWUHKLSA-N 0 0 349.383 3.162 10 5 EGBERN C[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(Cl)Cl ZINC001344507566 1390796034 /nfs/dbraw/zinc/79/60/34/1390796034.db2.gz UGTTVNPBNOMKSB-CYBMUJFWSA-N 0 0 342.182 3.390 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001345488164 1390862063 /nfs/dbraw/zinc/86/20/63/1390862063.db2.gz FHKPYBGZMGQPRT-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001346065493 1390904714 /nfs/dbraw/zinc/90/47/14/1390904714.db2.gz MGFYLNSMQPJVPH-DOTOQJQBSA-N 0 0 347.415 3.146 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001346196417 1390914468 /nfs/dbraw/zinc/91/44/68/1390914468.db2.gz FBGIFDOLBPMBLE-ZWNOBZJWSA-N 0 0 327.764 3.147 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccccc2Br)n1 ZINC001347800829 1391126406 /nfs/dbraw/zinc/12/64/06/1391126406.db2.gz SITBGZHGNQJSJS-UHFFFAOYSA-N 0 0 337.129 3.280 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001347816006 1391128818 /nfs/dbraw/zinc/12/88/18/1391128818.db2.gz FDZHFIYKJTXIFF-FXAINCCUSA-N 0 0 342.367 3.480 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cc1 ZINC001348439669 1391219793 /nfs/dbraw/zinc/21/97/93/1391219793.db2.gz WKMWPMPAHVMINS-MRXNPFEDSA-N 0 0 343.314 3.174 10 5 EGBERN O=C(NC1CCCCCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001348570128 1391239657 /nfs/dbraw/zinc/23/96/57/1391239657.db2.gz BZOIYBCWJPENCV-QGZVFWFLSA-N 0 0 345.399 3.317 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(C(F)(F)F)n1 ZINC001349028314 1391297491 /nfs/dbraw/zinc/29/74/91/1391297491.db2.gz DQJVBNVIUXYJDL-UHFFFAOYSA-N 0 0 342.229 3.236 10 5 EGBERN C[C@H](CNC(=O)NC1([C@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001349145325 1391306478 /nfs/dbraw/zinc/30/64/78/1391306478.db2.gz BIEWZDCIBWRHPR-CZUORRHYSA-N 0 0 347.415 3.099 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1COC[C@H]1c1ccccc1 ZINC001349537102 1391338563 /nfs/dbraw/zinc/33/85/63/1391338563.db2.gz UYSFILVBSMZACA-RYUDHWBXSA-N 0 0 348.305 3.242 10 5 EGBERN CSc1cccc(C(=O)OC[C@]23CCC[C@@H]2OCC3)c1[N+](=O)[O-] ZINC001349675052 1391351932 /nfs/dbraw/zinc/35/19/32/1391351932.db2.gz BMUGALSMIBANLK-XJKSGUPXSA-N 0 0 337.397 3.433 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001349825511 1391372874 /nfs/dbraw/zinc/37/28/74/1391372874.db2.gz LIKUYDDDRIEREF-HUUCEWRRSA-N 0 0 332.400 3.161 10 5 EGBERN O=C(Cc1ccc2cnccc2c1)Nc1cc([N+](=O)[O-])ccc1F ZINC001349885257 1391380811 /nfs/dbraw/zinc/38/08/11/1391380811.db2.gz IOGIOUQDLNCZBO-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2n1 ZINC001349899643 1391383148 /nfs/dbraw/zinc/38/31/48/1391383148.db2.gz QIBXCGWBDFMVPZ-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN COc1cccc(CN(C)C(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001350192500 1391427400 /nfs/dbraw/zinc/42/74/00/1391427400.db2.gz BDLDJWGKHRAHGP-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC001350390200 1391457460 /nfs/dbraw/zinc/45/74/60/1391457460.db2.gz ZQPQACVLJHBYKO-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)COCc1cccc(C)c1 ZINC001350445335 1391465712 /nfs/dbraw/zinc/46/57/12/1391465712.db2.gz XUAPTYNJGFPULZ-UHFFFAOYSA-N 0 0 330.340 3.067 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1coc(-c2cccnc2)n1 ZINC001351310574 1391625046 /nfs/dbraw/zinc/62/50/46/1391625046.db2.gz BHXUDGRZTXUKRF-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001351335735 1391628545 /nfs/dbraw/zinc/62/85/45/1391628545.db2.gz GPVCAEDIEXYUGV-NSHDSACASA-N 0 0 325.324 3.049 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC001351359292 1391631390 /nfs/dbraw/zinc/63/13/90/1391631390.db2.gz QLIIZEOEOHEKFW-VIFPVBQESA-N 0 0 332.287 3.205 10 5 EGBERN C/C(=C\C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccco1 ZINC001351603893 1391655795 /nfs/dbraw/zinc/65/57/95/1391655795.db2.gz KAERRHYMJIIERY-DHZHZOJOSA-N 0 0 344.323 3.391 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001351789270 1391690177 /nfs/dbraw/zinc/69/01/77/1391690177.db2.gz CVUGKAHYIUDUKJ-DSYKOEDSSA-N 0 0 340.252 3.193 10 5 EGBERN CC(C)CC[C@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001352257884 1391778037 /nfs/dbraw/zinc/77/80/37/1391778037.db2.gz LPOJLCCSLBSKKE-AWEZNQCLSA-N 0 0 344.415 3.394 10 5 EGBERN COc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc2n1 ZINC001352604378 1391820980 /nfs/dbraw/zinc/82/09/80/1391820980.db2.gz OVXPVAXMELXKGO-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN O=C(c1cn(-c2ccccc2)cn1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001352811936 1391853045 /nfs/dbraw/zinc/85/30/45/1391853045.db2.gz REXIFLGGBOYJES-UHFFFAOYSA-N 0 0 348.362 3.374 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001353295034 1391984630 /nfs/dbraw/zinc/98/46/30/1391984630.db2.gz MFEKPXGOJCONGJ-SJORKVTESA-N 0 0 332.400 3.088 10 5 EGBERN O=C(C[C@H]1OCc2ccccc21)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353336281 1391991670 /nfs/dbraw/zinc/99/16/70/1391991670.db2.gz BECBIESGRDZLQL-OAHLLOKOSA-N 0 0 334.278 3.473 10 5 EGBERN O=C(Nc1cccc(Cn2cccn2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001353775620 1392085945 /nfs/dbraw/zinc/08/59/45/1392085945.db2.gz JARJJVLBDBZFGS-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC001354000881 1392113555 /nfs/dbraw/zinc/11/35/55/1392113555.db2.gz AVRUXNUJJSDKRQ-GYSYKLTISA-N 0 0 335.356 3.348 10 5 EGBERN O=C(Nc1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001354111677 1392121087 /nfs/dbraw/zinc/12/10/87/1392121087.db2.gz SUORAGGCLPXWES-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN O=C(COCc1cccc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001354387772 1392141391 /nfs/dbraw/zinc/14/13/91/1392141391.db2.gz AZYCHCYZBJIKRP-UHFFFAOYSA-N 0 0 346.770 3.354 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC001354597669 1392155232 /nfs/dbraw/zinc/15/52/32/1392155232.db2.gz VXVSJDASGKHFCQ-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC001354993588 1392183776 /nfs/dbraw/zinc/18/37/76/1392183776.db2.gz DPHPOYANMWORAB-LBPRGKRZSA-N 0 0 339.351 3.358 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2n1 ZINC001355107402 1392193875 /nfs/dbraw/zinc/19/38/75/1392193875.db2.gz MFLGVRUPWXKEDX-ZDUSSCGKSA-N 0 0 338.367 3.350 10 5 EGBERN CC(C)CC(C)(C)C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481653055 1394433173 /nfs/dbraw/zinc/43/31/73/1394433173.db2.gz BJQSGYYIIYNCCG-UHFFFAOYSA-N 0 0 347.459 3.215 10 5 EGBERN CCCN(CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001713546039 1418315828 /nfs/dbraw/zinc/31/58/28/1418315828.db2.gz VRSACNFHRLFVBP-UHFFFAOYSA-N 0 0 341.411 3.237 10 5 EGBERN CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001714853476 1419566427 /nfs/dbraw/zinc/56/64/27/1419566427.db2.gz XBPUTIRRTFVSMX-HDICACEKSA-N 0 0 345.443 3.350 10 5 EGBERN CC(C(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1)=C1CCCC1 ZINC001715806625 1420351285 /nfs/dbraw/zinc/35/12/85/1420351285.db2.gz LNELZJLXSQPZAO-PLNGDYQASA-N 0 0 349.456 3.309 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001742970056 1439532790 /nfs/dbraw/zinc/53/27/90/1439532790.db2.gz MEODCRXEKKGPJX-YPMHNXCESA-N 0 0 327.388 3.108 10 5 EGBERN CCSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC ZINC001768401894 1441407574 /nfs/dbraw/zinc/40/75/74/1441407574.db2.gz UIHRDQAEPOLTGH-UHFFFAOYSA-N 0 0 349.460 3.453 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF)C1CCC1 ZINC001768534813 1441407820 /nfs/dbraw/zinc/40/78/20/1441407820.db2.gz KGXSNRDQYQKEAB-SWLSCSKDSA-N 0 0 345.378 3.373 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC(C)(C)C1 ZINC001770234093 1441411528 /nfs/dbraw/zinc/41/15/28/1441411528.db2.gz JIJDSQSACAFIIW-UHFFFAOYSA-N 0 0 345.403 3.287 10 5 EGBERN CCN(Cc1ccco1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052697198 214140570 /nfs/dbraw/zinc/14/05/70/214140570.db2.gz RBQOICIZFQVJDO-UHFFFAOYSA-N 0 0 328.328 3.260 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114451533 290627917 /nfs/dbraw/zinc/62/79/17/290627917.db2.gz IJMKDJSWAKYCRS-GOSISDBHSA-N 0 0 329.400 3.281 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H](C)CO2)c1 ZINC000174709157 231285739 /nfs/dbraw/zinc/28/57/39/231285739.db2.gz WWUSKFHRHSICRW-BBRMVZONSA-N 0 0 344.367 3.407 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000176684820 529485715 /nfs/dbraw/zinc/48/57/15/529485715.db2.gz RFNIAIAVZUHLHP-AWEZNQCLSA-N 0 0 334.401 3.344 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177813656 529660312 /nfs/dbraw/zinc/66/03/12/529660312.db2.gz FFZLEBVVKMNMFI-JKSUJKDBSA-N 0 0 326.352 3.338 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N2CCC(Cc3cccc(F)c3)CC2)n1C ZINC000065227822 214846635 /nfs/dbraw/zinc/84/66/35/214846635.db2.gz HEUIDPXGPURTFF-UHFFFAOYSA-N 0 0 332.379 3.235 10 5 EGBERN Cc1noc(C)c1CNC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067758917 215206725 /nfs/dbraw/zinc/20/67/25/215206725.db2.gz QFIYZNDMWGGIKW-NSHDSACASA-N 0 0 332.360 3.102 10 5 EGBERN CCN(CC)c1ncnc(Nc2cccc(C(C)=O)c2)c1[N+](=O)[O-] ZINC000040593132 213356093 /nfs/dbraw/zinc/35/60/93/213356093.db2.gz DANQIEAJMUROAH-UHFFFAOYSA-N 0 0 329.360 3.177 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187361928 236189534 /nfs/dbraw/zinc/18/95/34/236189534.db2.gz OYBKIUHMRLBLKL-UHFFFAOYSA-N 0 0 338.314 3.240 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000187622222 236263108 /nfs/dbraw/zinc/26/31/08/236263108.db2.gz SSVFXAOVDDHBOV-UHFFFAOYSA-N 0 0 347.371 3.136 10 5 EGBERN COc1ccc(Br)cc1[C@H](N)c1ccc([N+](=O)[O-])o1 ZINC000035381679 213024145 /nfs/dbraw/zinc/02/41/45/213024145.db2.gz MDLKZCWLBSDSPL-LBPRGKRZSA-N 0 0 327.134 3.007 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129557791 223069123 /nfs/dbraw/zinc/06/91/23/223069123.db2.gz QXLHAWBQWYJYQI-ZDUSSCGKSA-N 0 0 334.397 3.084 10 5 EGBERN Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130115519 223123459 /nfs/dbraw/zinc/12/34/59/223123459.db2.gz WQOQJDKGTIQXSG-SECBINFHSA-N 0 0 342.355 3.042 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC000072627599 216284071 /nfs/dbraw/zinc/28/40/71/216284071.db2.gz KXRHVYBJICYCGA-SNVBAGLBSA-N 0 0 333.300 3.204 10 5 EGBERN C[C@H](SCc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191710896 239261491 /nfs/dbraw/zinc/26/14/91/239261491.db2.gz QRWVTUBRGVHXGE-QMMMGPOBSA-N 0 0 347.322 3.138 10 5 EGBERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000191934438 239390234 /nfs/dbraw/zinc/39/02/34/239390234.db2.gz OCCDTTVHILWELY-SCZZXKLOSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1cc(NCC2(CCO)CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132691114 223354670 /nfs/dbraw/zinc/35/46/70/223354670.db2.gz AXTJEKIJKDMBEV-UHFFFAOYSA-N 0 0 342.399 3.325 10 5 EGBERN C[C@H]1C[C@@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357478765 241864379 /nfs/dbraw/zinc/86/43/79/241864379.db2.gz NKUBUGQLPZRKLK-UWVGGRQHSA-N 0 0 328.328 3.409 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110442391 220036598 /nfs/dbraw/zinc/03/65/98/220036598.db2.gz SVEBDIJVTQREMM-ZFWWWQNUSA-N 0 0 344.342 3.033 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc(C)ccc3[N+](=O)[O-])CCC2)n1 ZINC000266628592 248389251 /nfs/dbraw/zinc/38/92/51/248389251.db2.gz IBAKVBUZZAUPKQ-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cc(Cl)ccc21 ZINC000378136298 169075021 /nfs/dbraw/zinc/07/50/21/169075021.db2.gz BOKXPXNADPMQQH-UHFFFAOYSA-N 0 0 346.774 3.130 10 5 EGBERN Cc1cn2c(n1)CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000092634639 218155975 /nfs/dbraw/zinc/15/59/75/218155975.db2.gz MOIXOBDRPGDACZ-LLVKDONJSA-N 0 0 338.314 3.128 10 5 EGBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)cs2)cc1 ZINC000009314324 211065289 /nfs/dbraw/zinc/06/52/89/211065289.db2.gz SUBAKXBRWJKYGX-UHFFFAOYSA-N 0 0 327.365 3.237 10 5 EGBERN Cc1ccc(NC(=O)CSc2nccn2C2CC2)c([N+](=O)[O-])c1 ZINC000008709302 210985933 /nfs/dbraw/zinc/98/59/33/210985933.db2.gz VKGLCFRCAZUQMB-UHFFFAOYSA-N 0 0 332.385 3.165 10 5 EGBERN O=[N+]([O-])c1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000007583586 210816353 /nfs/dbraw/zinc/81/63/53/210816353.db2.gz JXZIUDVJZHTOEJ-UHFFFAOYSA-N 0 0 349.272 3.315 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267304092 250925743 /nfs/dbraw/zinc/92/57/43/250925743.db2.gz AUULXOYECCWFBN-MRXNPFEDSA-N 0 0 346.362 3.074 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000005692171 210517454 /nfs/dbraw/zinc/51/74/54/210517454.db2.gz ANFBUIMGUUWVAM-CYBMUJFWSA-N 0 0 325.368 3.293 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCOC2(CCOCC2)C1 ZINC000408107420 285088083 /nfs/dbraw/zinc/08/80/83/285088083.db2.gz ORSFJTLYEYAOAO-UHFFFAOYSA-N 0 0 347.198 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(OCC2(O)CCOCC2)c(Cc2ccccc2)c1 ZINC000153708849 224145558 /nfs/dbraw/zinc/14/55/58/224145558.db2.gz FQDXRIBBGQKRQX-UHFFFAOYSA-N 0 0 343.379 3.106 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3Cc4ccccc4C4(CCC4)C3)nn21 ZINC000376196899 285185968 /nfs/dbraw/zinc/18/59/68/285185968.db2.gz DFFRBUZQWKXHBB-UHFFFAOYSA-N 0 0 335.367 3.079 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](c2cccs2)C1 ZINC000154057745 224195892 /nfs/dbraw/zinc/19/58/92/224195892.db2.gz FKHDMOJCBDBNCP-LLVKDONJSA-N 0 0 325.777 3.283 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000269043257 255519311 /nfs/dbraw/zinc/51/93/11/255519311.db2.gz YSLCKGSPARSFBQ-SJCJKPOMSA-N 0 0 346.358 3.284 10 5 EGBERN COc1cccc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)c1OC ZINC000154392035 533520486 /nfs/dbraw/zinc/52/04/86/533520486.db2.gz QYOJAJATMDJEML-UHFFFAOYSA-N 0 0 345.351 3.206 10 5 EGBERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123627213 140898163 /nfs/dbraw/zinc/89/81/63/140898163.db2.gz BWQJYEAWMFXZET-ZDUSSCGKSA-N 0 0 330.340 3.044 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000246961736 141046206 /nfs/dbraw/zinc/04/62/06/141046206.db2.gz JTLJYHWIJDJPLN-DOMZBBRYSA-N 0 0 329.356 3.352 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000337909204 141071363 /nfs/dbraw/zinc/07/13/63/141071363.db2.gz GJOOONZIDBTPRD-LLVKDONJSA-N 0 0 327.178 3.194 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000338035538 141077547 /nfs/dbraw/zinc/07/75/47/141077547.db2.gz RWFPYDLJGWJZJS-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338070060 141087466 /nfs/dbraw/zinc/08/74/66/141087466.db2.gz VIYMIMYKONHSMS-UHFFFAOYSA-N 0 0 342.355 3.297 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000338083835 141090471 /nfs/dbraw/zinc/09/04/71/141090471.db2.gz GKSHHPHIIXAGKI-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000341243607 141142912 /nfs/dbraw/zinc/14/29/12/141142912.db2.gz QVXVSLSLILTXSJ-CYBMUJFWSA-N 0 0 345.399 3.359 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOC1 ZINC000346215555 141182739 /nfs/dbraw/zinc/18/27/39/141182739.db2.gz BNNNPWWBNIZSDL-LBPRGKRZSA-N 0 0 338.429 3.396 10 5 EGBERN Cc1nc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1[N+](=O)[O-] ZINC000346623244 141206269 /nfs/dbraw/zinc/20/62/69/141206269.db2.gz RSWJXDGBTVLCLI-HNNXBMFYSA-N 0 0 341.367 3.445 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000350721639 141262594 /nfs/dbraw/zinc/26/25/94/141262594.db2.gz VZYAOTNOGZSTCD-MNOVXSKESA-N 0 0 346.305 3.198 10 5 EGBERN Cc1ccn(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356846370 141352762 /nfs/dbraw/zinc/35/27/62/141352762.db2.gz ZRRBDLPIAAUWCO-UHFFFAOYSA-N 0 0 338.161 3.257 10 5 EGBERN CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000046930901 142565087 /nfs/dbraw/zinc/56/50/87/142565087.db2.gz YLYFIZWDYDCPBO-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN COCc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341333227 142635121 /nfs/dbraw/zinc/63/51/21/142635121.db2.gz YUSDGBKCARMWEW-UHFFFAOYSA-N 0 0 336.294 3.201 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1Cc2ccccc2[C@H]1O ZINC000170993307 144000619 /nfs/dbraw/zinc/00/06/19/144000619.db2.gz SXEYRQRVGQDVSK-LSDHHAIUSA-N 0 0 347.758 3.028 10 5 EGBERN CCS[C@H]1CCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175048742 144056565 /nfs/dbraw/zinc/05/65/65/144056565.db2.gz AXVWTUYFONEZHE-RISCZKNCSA-N 0 0 339.417 3.399 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OC(C)C ZINC000183910904 144081958 /nfs/dbraw/zinc/08/19/58/144081958.db2.gz ZMJMPSRKPXWGCF-UHFFFAOYSA-N 0 0 345.355 3.346 10 5 EGBERN CSc1cccc(C(=O)NCc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000186967627 144148108 /nfs/dbraw/zinc/14/81/08/144148108.db2.gz AXGOOEAGNDJIKN-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN Nc1c(C(=O)NCCc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000344922729 144242706 /nfs/dbraw/zinc/24/27/06/144242706.db2.gz GNUVLFHRSMYNDO-UHFFFAOYSA-N 0 0 335.363 3.303 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000351617768 144288494 /nfs/dbraw/zinc/28/84/94/144288494.db2.gz CKBDJXVPDIISLT-UHFFFAOYSA-N 0 0 343.318 3.240 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCC(c2nccc(C)n2)CC1 ZINC000363776687 144364963 /nfs/dbraw/zinc/36/49/63/144364963.db2.gz JKFZWROXZYOMQL-UHFFFAOYSA-N 0 0 342.399 3.081 10 5 EGBERN CC(C)CSCCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341112118 155166049 /nfs/dbraw/zinc/16/60/49/155166049.db2.gz MFHRELMIVUMBOS-LBPRGKRZSA-N 0 0 325.434 3.344 10 5 EGBERN C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000341302763 155237104 /nfs/dbraw/zinc/23/71/04/155237104.db2.gz AUCYVHUOCCFJEH-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN C[C@@H](NC(=O)c1cccc2ccc(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000341396731 155267933 /nfs/dbraw/zinc/26/79/33/155267933.db2.gz ZZLXDWGGEUAZLW-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1c[nH]c2ccc(F)cc12 ZINC000116819925 152077888 /nfs/dbraw/zinc/07/78/88/152077888.db2.gz GUHJFKDYRBHNPT-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117648295 152109488 /nfs/dbraw/zinc/10/94/88/152109488.db2.gz MLKUZNANWNYVJT-SECBINFHSA-N 0 0 339.804 3.433 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000119588739 152215865 /nfs/dbraw/zinc/21/58/65/152215865.db2.gz OPYBXQSKZINYQE-GFCCVEGCSA-N 0 0 329.356 3.395 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3c(F)cccc3F)n2)c1=O ZINC000120273667 152263982 /nfs/dbraw/zinc/26/39/82/152263982.db2.gz AKXJXZYIFHDFPL-UHFFFAOYSA-N 0 0 347.277 3.046 10 5 EGBERN CC(C)(C)OC(=O)NC(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153875499 152560444 /nfs/dbraw/zinc/56/04/44/152560444.db2.gz VYDOMBYNKQDABO-UHFFFAOYSA-N 0 0 344.799 3.358 10 5 EGBERN COc1ccc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000161568701 152774729 /nfs/dbraw/zinc/77/47/29/152774729.db2.gz WZKIXKFKIWKGQQ-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC000174494715 152863833 /nfs/dbraw/zinc/86/38/33/152863833.db2.gz DJLIAHXXHQQQHP-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CO[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000188362583 153012596 /nfs/dbraw/zinc/01/25/96/153012596.db2.gz HZEOFROSXULFBQ-QWRGUYRKSA-N 0 0 326.418 3.249 10 5 EGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC2(CCCC2)O1 ZINC000189963455 153109569 /nfs/dbraw/zinc/10/95/69/153109569.db2.gz KJBVDWSRZBRBFT-UHFFFAOYSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000190623023 153151831 /nfs/dbraw/zinc/15/18/31/153151831.db2.gz PRLPYFUNTRLOHV-HNNXBMFYSA-N 0 0 326.352 3.086 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000191944712 153232348 /nfs/dbraw/zinc/23/23/48/153232348.db2.gz ZPNDJSIQXRSRGG-SMDDNHRTSA-N 0 0 343.383 3.459 10 5 EGBERN Cc1cc([C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000193490753 153293313 /nfs/dbraw/zinc/29/33/13/153293313.db2.gz DAPKNLNWRQUPKP-QGZVFWFLSA-N 0 0 331.347 3.202 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359191749 292294500 /nfs/dbraw/zinc/29/45/00/292294500.db2.gz FWEPONVBVMISKE-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN O=C(NCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000302890796 154029801 /nfs/dbraw/zinc/02/98/01/154029801.db2.gz FIPLMNWCFFRXGE-UHFFFAOYSA-N 0 0 340.257 3.423 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000339249475 154774434 /nfs/dbraw/zinc/77/44/34/154774434.db2.gz NFVBIVICCFHJDE-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000339924714 155035887 /nfs/dbraw/zinc/03/58/87/155035887.db2.gz FOJVTPSYNMCSSM-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN CCc1nc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cs1 ZINC000341063927 155131435 /nfs/dbraw/zinc/13/14/35/155131435.db2.gz GGKYFNNXBLGFDQ-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cnc2ccc(Cl)cc2c1 ZINC000343074952 155639051 /nfs/dbraw/zinc/63/90/51/155639051.db2.gz HJCKMSQADULQLJ-UHFFFAOYSA-N 0 0 344.714 3.083 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CSCc3ccccc3)no2)n1 ZINC000346831782 156154933 /nfs/dbraw/zinc/15/49/33/156154933.db2.gz LXRVAGQOXNDRCG-UHFFFAOYSA-N 0 0 345.384 3.295 10 5 EGBERN CC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000346882474 156177632 /nfs/dbraw/zinc/17/76/32/156177632.db2.gz FWXQTOLDIBUNDQ-GFCCVEGCSA-N 0 0 329.278 3.076 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(Cl)c3F)no2)n1 ZINC000346984430 156230472 /nfs/dbraw/zinc/23/04/72/156230472.db2.gz OKFQRLKSXSKQCE-UHFFFAOYSA-N 0 0 337.698 3.321 10 5 EGBERN CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nccs1 ZINC000348919315 156288068 /nfs/dbraw/zinc/28/80/68/156288068.db2.gz FUFHYFXLSOCJEF-JTQLQIEISA-N 0 0 330.369 3.414 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000365313124 157104567 /nfs/dbraw/zinc/10/45/67/157104567.db2.gz AMXJAUBRRKRCAB-LBPRGKRZSA-N 0 0 346.383 3.176 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077780109 161750776 /nfs/dbraw/zinc/75/07/76/161750776.db2.gz UFBAVCBXZJCWFN-GUYCJALGSA-N 0 0 337.420 3.142 10 5 EGBERN COCCN(CC(C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000358883017 292461134 /nfs/dbraw/zinc/46/11/34/292461134.db2.gz MAXBCTRHTNDMLO-UHFFFAOYSA-N 0 0 328.796 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(CC(=O)Nc2ccccc2)no1 ZINC000109548993 162105786 /nfs/dbraw/zinc/10/57/86/162105786.db2.gz WQWZTJWHMYDYPR-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000112001960 162159539 /nfs/dbraw/zinc/15/95/39/162159539.db2.gz VMYVWYMHLNDCEM-AWEZNQCLSA-N 0 0 327.384 3.002 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(CO)c(Cl)c2)cc1[N+](=O)[O-] ZINC000354158141 165975838 /nfs/dbraw/zinc/97/58/38/165975838.db2.gz NGVPRKOEJAJJPB-UHFFFAOYSA-N 0 0 326.761 3.363 10 5 EGBERN Cc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130924948 162384706 /nfs/dbraw/zinc/38/47/06/162384706.db2.gz BPRCFHINNGQYNS-OLZOCXBDSA-N 0 0 329.404 3.243 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1cccc2ccccc21 ZINC000180760144 162759875 /nfs/dbraw/zinc/75/98/75/162759875.db2.gz MTFHDSVTQCGFLB-UHFFFAOYSA-N 0 0 335.363 3.303 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000337046471 163115290 /nfs/dbraw/zinc/11/52/90/163115290.db2.gz LLNNNVQZFPKVMY-GDBMZVCRSA-N 0 0 342.399 3.016 10 5 EGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000337098827 163127666 /nfs/dbraw/zinc/12/76/66/163127666.db2.gz CJJJNAIKRGOFAP-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1cccc(-n2cccn2)c1 ZINC000354329159 166004126 /nfs/dbraw/zinc/00/41/26/166004126.db2.gz DWMDOGHAEJZTDY-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CSC1(C)C ZINC000338478569 163240797 /nfs/dbraw/zinc/24/07/97/163240797.db2.gz ZYSWDXVENNNQDZ-GFCCVEGCSA-N 0 0 326.443 3.331 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC(F)(F)C1 ZINC000340258984 163524096 /nfs/dbraw/zinc/52/40/96/163524096.db2.gz YCLHWTHFBOSXCF-LBPRGKRZSA-N 0 0 327.331 3.014 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342542747 163905693 /nfs/dbraw/zinc/90/56/93/163905693.db2.gz FOFBADXATXIIFE-SNVBAGLBSA-N 0 0 344.396 3.373 10 5 EGBERN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000342666565 163937668 /nfs/dbraw/zinc/93/76/68/163937668.db2.gz ATFJMZUEOQNWJA-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN CC[C@H](CC(F)(F)F)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343774903 164031422 /nfs/dbraw/zinc/03/14/22/164031422.db2.gz VZZWGCZOFKXKGM-SSDOTTSWSA-N 0 0 340.248 3.263 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000344051223 164090964 /nfs/dbraw/zinc/09/09/64/164090964.db2.gz RJHRNOVIZMEJGI-UHFFFAOYSA-N 0 0 334.416 3.237 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)CCO2 ZINC000344083052 164099220 /nfs/dbraw/zinc/09/92/20/164099220.db2.gz ADMVIIAYJNRKSO-UHFFFAOYSA-N 0 0 337.335 3.123 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1F ZINC000344290944 164147415 /nfs/dbraw/zinc/14/74/15/164147415.db2.gz NOODNNBGSNJWKQ-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CCOc1ccc(C(=O)N(CC)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000344438732 164179307 /nfs/dbraw/zinc/17/93/07/164179307.db2.gz YZVMLAWUXARBIE-UHFFFAOYSA-N 0 0 329.356 3.051 10 5 EGBERN Cc1nc(COc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)no1 ZINC000344443164 164180350 /nfs/dbraw/zinc/18/03/50/164180350.db2.gz SFQWFRAFBRGECT-UHFFFAOYSA-N 0 0 327.300 3.004 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCc3sc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000344604376 164198740 /nfs/dbraw/zinc/19/87/40/164198740.db2.gz MOGWLLQCNPQCJN-VIFPVBQESA-N 0 0 339.804 3.456 10 5 EGBERN Cc1csc(N(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000344607636 164199770 /nfs/dbraw/zinc/19/97/70/164199770.db2.gz RHBPFBIUOOXRDX-UHFFFAOYSA-N 0 0 343.368 3.072 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1F ZINC000345767577 164261958 /nfs/dbraw/zinc/26/19/58/164261958.db2.gz TYTLHWZANLACTM-UHFFFAOYSA-N 0 0 328.752 3.421 10 5 EGBERN Cc1n[nH]cc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347200375 164459678 /nfs/dbraw/zinc/45/96/78/164459678.db2.gz YIQPEJMPCVUIOM-UHFFFAOYSA-N 0 0 331.376 3.246 10 5 EGBERN CN(c1nc(COc2c(Cl)cncc2[N+](=O)[O-])cs1)C1CC1 ZINC000349912479 164973546 /nfs/dbraw/zinc/97/35/46/164973546.db2.gz KNPUSWDFFCSWSW-UHFFFAOYSA-N 0 0 340.792 3.277 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000350125136 165008843 /nfs/dbraw/zinc/00/88/43/165008843.db2.gz CUSIUZVJKHTYBH-UHFFFAOYSA-N 0 0 342.355 3.145 10 5 EGBERN COc1cc(CN(Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984511 165178449 /nfs/dbraw/zinc/17/84/49/165178449.db2.gz NKSDRSMVXGFKGD-INIZCTEOSA-N 0 0 346.383 3.378 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1ccccc1[N+](=O)[O-] ZINC000352058762 165214216 /nfs/dbraw/zinc/21/42/16/165214216.db2.gz GHQBOELDOSKYDU-MRXNPFEDSA-N 0 0 331.324 3.034 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000352813216 165509621 /nfs/dbraw/zinc/50/96/21/165509621.db2.gz AMAHDDKFZMCQSQ-IRXDYDNUSA-N 0 0 342.399 3.024 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361057149 287144063 /nfs/dbraw/zinc/14/40/63/287144063.db2.gz KZQQFWTVSGXSTI-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000355178915 166124782 /nfs/dbraw/zinc/12/47/82/166124782.db2.gz RMJHAKICDDWEFC-UHFFFAOYSA-N 0 0 329.356 3.116 10 5 EGBERN Cc1ccc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355186676 166126343 /nfs/dbraw/zinc/12/63/43/166126343.db2.gz WLUFURBOYSXBBW-KPZWWZAWSA-N 0 0 334.416 3.210 10 5 EGBERN COc1cc(CN(C)c2cccc(OC)c2[N+](=O)[O-])cc(OC)c1 ZINC000355330373 166165775 /nfs/dbraw/zinc/16/57/75/166165775.db2.gz CHQODHJQBRHDDQ-UHFFFAOYSA-N 0 0 332.356 3.257 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(C)c3nccn3c2)cc1[N+](=O)[O-] ZINC000355378962 166180096 /nfs/dbraw/zinc/18/00/96/166180096.db2.gz CRLPDXZTPKBBKI-UHFFFAOYSA-N 0 0 340.339 3.202 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000355944973 166356032 /nfs/dbraw/zinc/35/60/32/166356032.db2.gz RLHLJUYCJVJGQJ-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000356655865 166476553 /nfs/dbraw/zinc/47/65/53/166476553.db2.gz MQQGSMMSRJABQT-WOPDTQHZSA-N 0 0 343.383 3.355 10 5 EGBERN Cn1cc(-c2nc(-c3cccnc3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357466084 166687440 /nfs/dbraw/zinc/68/74/40/166687440.db2.gz JDKWAXWQAMMBFN-UHFFFAOYSA-N 0 0 348.322 3.107 10 5 EGBERN O=C(NCCc1ccsc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358905389 167000873 /nfs/dbraw/zinc/00/08/73/167000873.db2.gz NKMXBMOVGMUQEX-UHFFFAOYSA-N 0 0 342.323 3.230 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCc2ccc(C)o2)c1 ZINC000358933919 167011247 /nfs/dbraw/zinc/01/12/47/167011247.db2.gz URAQOYSJVGLTRB-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000358935261 167011934 /nfs/dbraw/zinc/01/19/34/167011934.db2.gz RHOQDYLAFCXUIJ-CQSZACIVSA-N 0 0 336.388 3.025 10 5 EGBERN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000358992593 167030665 /nfs/dbraw/zinc/03/06/65/167030665.db2.gz OINHQMUXLDWVIC-UHFFFAOYSA-N 0 0 340.326 3.457 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359064367 167055508 /nfs/dbraw/zinc/05/55/08/167055508.db2.gz FXDBLFNUNSYFLI-ZJUUUORDSA-N 0 0 328.315 3.457 10 5 EGBERN CCN(CC)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000359081190 167061922 /nfs/dbraw/zinc/06/19/22/167061922.db2.gz IZVSEEGZIJZJFW-UHFFFAOYSA-N 0 0 329.404 3.460 10 5 EGBERN COc1ccccc1O[C@@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359092707 167064308 /nfs/dbraw/zinc/06/43/08/167064308.db2.gz GOZMRQDVFPNYTR-ZDUSSCGKSA-N 0 0 331.372 3.495 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2nc3ccccc3n2C)n1 ZINC000359104832 167067283 /nfs/dbraw/zinc/06/72/83/167067283.db2.gz VQIWEYOSCQGGOM-UHFFFAOYSA-N 0 0 325.372 3.130 10 5 EGBERN Cc1nc2ccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2o1 ZINC000359132950 167076488 /nfs/dbraw/zinc/07/64/88/167076488.db2.gz WEOFYBZOCLLPTG-UHFFFAOYSA-N 0 0 339.351 3.359 10 5 EGBERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359143596 167080324 /nfs/dbraw/zinc/08/03/24/167080324.db2.gz NUEYOSLMDAZVQK-UHFFFAOYSA-N 0 0 330.388 3.064 10 5 EGBERN CSc1cccc(C(=O)NCc2ccc3cc[nH]c3n2)c1[N+](=O)[O-] ZINC000359431214 167155120 /nfs/dbraw/zinc/15/51/20/167155120.db2.gz UYHHGEJZFDHNEZ-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cncc(F)c1 ZINC000359538770 167184424 /nfs/dbraw/zinc/18/44/24/167184424.db2.gz HWYGJQPBSCJLPO-SNVBAGLBSA-N 0 0 342.330 3.030 10 5 EGBERN CC1CCC(C)(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000360203455 167270917 /nfs/dbraw/zinc/27/09/17/167270917.db2.gz PRJZMRYKBNXJJG-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCF ZINC000360527325 167349470 /nfs/dbraw/zinc/34/94/70/167349470.db2.gz BVPHKNIOIJPLLL-UHFFFAOYSA-N 0 0 333.157 3.145 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)C(=O)C1 ZINC000360620830 167371308 /nfs/dbraw/zinc/37/13/08/167371308.db2.gz OEXZZTRYCOZBMS-CQSZACIVSA-N 0 0 325.368 3.005 10 5 EGBERN Cc1sc(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361841750 167671803 /nfs/dbraw/zinc/67/18/03/167671803.db2.gz GRRQVULUSLVHQR-STQMWFEESA-N 0 0 326.418 3.287 10 5 EGBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000362242721 167709443 /nfs/dbraw/zinc/70/94/43/167709443.db2.gz MVCHLYJAUBFIIC-GFCCVEGCSA-N 0 0 346.305 3.253 10 5 EGBERN COc1cc(CN2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362322949 167730208 /nfs/dbraw/zinc/73/02/08/167730208.db2.gz PTOXSOOFCUKJHB-KRWDZBQOSA-N 0 0 338.379 3.135 10 5 EGBERN Cc1cc2c[nH]nc2cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362713050 167826486 /nfs/dbraw/zinc/82/64/86/167826486.db2.gz AKORAWHNDUSMGU-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000367167520 168187228 /nfs/dbraw/zinc/18/72/28/168187228.db2.gz ZWDUYZKVRPOQPM-SFHVURJKSA-N 0 0 330.359 3.264 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367164723 168187573 /nfs/dbraw/zinc/18/75/73/168187573.db2.gz KFPDZWAFALCVBH-GOSISDBHSA-N 0 0 330.359 3.264 10 5 EGBERN CC1=C(c2ccco2)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367190333 168191839 /nfs/dbraw/zinc/19/18/39/168191839.db2.gz CMFVHZCDSFIJMG-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367550459 168241055 /nfs/dbraw/zinc/24/10/55/168241055.db2.gz RRVNYDKUFUYZLM-QAPCUYQASA-N 0 0 340.379 3.411 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000367903031 168282492 /nfs/dbraw/zinc/28/24/92/168282492.db2.gz YSJKVZLYVXKARO-INIZCTEOSA-N 0 0 345.399 3.078 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000367928988 168285459 /nfs/dbraw/zinc/28/54/59/168285459.db2.gz GVJFBGVFDLHSMJ-AWEZNQCLSA-N 0 0 331.397 3.096 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000120716945 221655621 /nfs/dbraw/zinc/65/56/21/221655621.db2.gz STDVQVAXIONZBL-MRXNPFEDSA-N 0 0 346.408 3.189 10 5 EGBERN COc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000121877252 221960464 /nfs/dbraw/zinc/96/04/64/221960464.db2.gz IWGYATNSZXDPNE-UHFFFAOYSA-N 0 0 332.381 3.392 10 5 EGBERN Cn1nccc1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000124641216 222458293 /nfs/dbraw/zinc/45/82/93/222458293.db2.gz SULQEWUTISTGDH-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125183359 222530161 /nfs/dbraw/zinc/53/01/61/222530161.db2.gz OJTJDLGIVTVVGT-CYBMUJFWSA-N 0 0 340.445 3.261 10 5 EGBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000154268566 264804087 /nfs/dbraw/zinc/80/40/87/264804087.db2.gz GDCNSAAYMBFTAG-AWEZNQCLSA-N 0 0 343.383 3.114 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175112223 265093651 /nfs/dbraw/zinc/09/36/51/265093651.db2.gz SSKPUPAXOMSXAU-OAHLLOKOSA-N 0 0 338.360 3.164 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000175357435 265110423 /nfs/dbraw/zinc/11/04/23/265110423.db2.gz DNYBGXBENXSENJ-UHFFFAOYSA-N 0 0 331.294 3.103 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCCc1ccccc1O ZINC000177814067 265280194 /nfs/dbraw/zinc/28/01/94/265280194.db2.gz UBCMPJXODUWZNM-UHFFFAOYSA-N 0 0 338.161 3.113 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178286726 265305329 /nfs/dbraw/zinc/30/53/29/265305329.db2.gz BVJSYFFDXROETD-HOTGVXAUSA-N 0 0 343.427 3.457 10 5 EGBERN COc1ccc(F)cc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000186665869 265543469 /nfs/dbraw/zinc/54/34/69/265543469.db2.gz JYZHIXRDFNRSDG-NSHDSACASA-N 0 0 344.342 3.263 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=Cc3ccccc32)s1 ZINC000188410946 265676839 /nfs/dbraw/zinc/67/68/39/265676839.db2.gz NWBLMSAVBRPCOF-UHFFFAOYSA-N 0 0 336.394 3.269 10 5 EGBERN Cc1c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000189189217 265743737 /nfs/dbraw/zinc/74/37/37/265743737.db2.gz LJYZPFFUQRYWAO-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189725350 265790161 /nfs/dbraw/zinc/79/01/61/265790161.db2.gz JAULHOSAFPJASM-NEPJUHHUSA-N 0 0 344.371 3.120 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)n1 ZINC000191540454 265913003 /nfs/dbraw/zinc/91/30/03/265913003.db2.gz FNEXTTHTYRRUGA-GFCCVEGCSA-N 0 0 346.387 3.156 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191640448 265922807 /nfs/dbraw/zinc/92/28/07/265922807.db2.gz MHHXBZRWFKDIDD-OAHLLOKOSA-N 0 0 344.415 3.213 10 5 EGBERN COc1ccc(-c2cnc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)o2)cc1 ZINC000195039151 266156543 /nfs/dbraw/zinc/15/65/43/266156543.db2.gz CDKTWXCKGJAMQE-UHFFFAOYSA-N 0 0 340.339 3.381 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000231327529 266206131 /nfs/dbraw/zinc/20/61/31/266206131.db2.gz YRMGYSZORKCNEE-CABZTGNLSA-N 0 0 329.194 3.320 10 5 EGBERN CCOc1cccc(N2CCC[C@H](n3cc(C)cn3)C2)c1[N+](=O)[O-] ZINC000273855325 267125802 /nfs/dbraw/zinc/12/58/02/267125802.db2.gz LAWJQYBKYPFGLL-AWEZNQCLSA-N 0 0 330.388 3.340 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000273957707 267151080 /nfs/dbraw/zinc/15/10/80/267151080.db2.gz FNGXULJEWRQROZ-JSGCOSHPSA-N 0 0 338.791 3.340 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000274005089 267163973 /nfs/dbraw/zinc/16/39/73/267163973.db2.gz PWDLSRFUVGFYMN-UHFFFAOYSA-N 0 0 345.355 3.192 10 5 EGBERN Cc1cccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000275504170 267371252 /nfs/dbraw/zinc/37/12/52/267371252.db2.gz TVQWHIZYBWWEDX-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000277863306 267887428 /nfs/dbraw/zinc/88/74/28/267887428.db2.gz ODPZWCQBZGMISJ-MWLCHTKSSA-N 0 0 331.376 3.026 10 5 EGBERN COC[C@@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000278338284 267990507 /nfs/dbraw/zinc/99/05/07/267990507.db2.gz CHRRKSSZJDNDDB-CFRMROPGSA-N 0 0 348.380 3.386 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000278416426 268008403 /nfs/dbraw/zinc/00/84/03/268008403.db2.gz BTXRWEPHRJXTCK-LLVKDONJSA-N 0 0 334.763 3.087 10 5 EGBERN COc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1Cl ZINC000340965885 274168481 /nfs/dbraw/zinc/16/84/81/274168481.db2.gz CFYVHSHHOJBFDG-VIFPVBQESA-N 0 0 347.758 3.243 10 5 EGBERN CC(C)(C)c1nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cs1 ZINC000032323025 275123131 /nfs/dbraw/zinc/12/31/31/275123131.db2.gz WTQAXXLKCKDWCL-UHFFFAOYSA-N 0 0 345.380 3.145 10 5 EGBERN C[C@@H](NC(=O)NCCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000083196007 275152498 /nfs/dbraw/zinc/15/24/98/275152498.db2.gz ZVZZLEVQLQJZSF-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN Cc1cccc(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377592 275161724 /nfs/dbraw/zinc/16/17/24/275161724.db2.gz CJMLNNGFZTWKMT-CYBMUJFWSA-N 0 0 326.352 3.260 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000181219930 275205702 /nfs/dbraw/zinc/20/57/02/275205702.db2.gz SSAPHHOSYBPGCP-DJJJIMSYSA-N 0 0 340.379 3.332 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@H](Oc3ncccc3F)C2)cs1 ZINC000278901332 275285913 /nfs/dbraw/zinc/28/59/13/275285913.db2.gz RQAFTCJQXUAISH-LBPRGKRZSA-N 0 0 337.376 3.234 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278915162 275287249 /nfs/dbraw/zinc/28/72/49/275287249.db2.gz WETKIEDRTCHBIM-WDEREUQCSA-N 0 0 345.321 3.196 10 5 EGBERN COc1cc(C)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C ZINC000279181460 275310295 /nfs/dbraw/zinc/31/02/95/275310295.db2.gz IMXLEUGGKNDXQF-UHFFFAOYSA-N 0 0 332.360 3.319 10 5 EGBERN CC[C@](C)(OC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000280420039 275448673 /nfs/dbraw/zinc/44/86/73/275448673.db2.gz SQGSWGYOTVEWKR-LBPRGKRZSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1nc(NC(=O)CO[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000281696260 275569032 /nfs/dbraw/zinc/56/90/32/275569032.db2.gz PJPKMAFOCQRTON-INIZCTEOSA-N 0 0 341.367 3.331 10 5 EGBERN CC[C@H](NC(=O)N1CCCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000281869507 275584010 /nfs/dbraw/zinc/58/40/10/275584010.db2.gz MGTINCKYDQFPCM-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN O=C(N[C@H]1CCCC12CCOCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000282294834 275619698 /nfs/dbraw/zinc/61/96/98/275619698.db2.gz AZGVFVJEBZJLEA-INIZCTEOSA-N 0 0 343.383 3.155 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000182897078 275729863 /nfs/dbraw/zinc/72/98/63/275729863.db2.gz VBMHYZBZNIWRAJ-JGJWRRPTSA-N 0 0 330.384 3.168 10 5 EGBERN COCCc1cccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000283895936 275759363 /nfs/dbraw/zinc/75/93/63/275759363.db2.gz DDMWNABXDAUQBU-UHFFFAOYSA-N 0 0 332.312 3.271 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnc(OCC2CC2)cn1 ZINC000283914001 275760400 /nfs/dbraw/zinc/76/04/00/275760400.db2.gz PIMAARRLDXZLPU-UHFFFAOYSA-N 0 0 342.355 3.043 10 5 EGBERN COc1ccccc1N1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286273098 275974047 /nfs/dbraw/zinc/97/40/47/275974047.db2.gz NUKJXKRRHRIOHS-UHFFFAOYSA-N 0 0 342.399 3.267 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc(C)no1 ZINC000286651632 276027696 /nfs/dbraw/zinc/02/76/96/276027696.db2.gz QYINOMORDWEAPV-NKSUMMKUSA-N 0 0 342.355 3.053 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000286693478 276033890 /nfs/dbraw/zinc/03/38/90/276033890.db2.gz XTYDDHHMLZOZJR-AWEZNQCLSA-N 0 0 347.198 3.287 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000287269726 276103067 /nfs/dbraw/zinc/10/30/67/276103067.db2.gz YGEJXVORJBUDQM-CYBMUJFWSA-N 0 0 326.312 3.041 10 5 EGBERN Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000288372249 276207214 /nfs/dbraw/zinc/20/72/14/276207214.db2.gz LBECBYOILJIHHE-JTQLQIEISA-N 0 0 346.387 3.495 10 5 EGBERN Nc1nc(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 ZINC000289142801 276296373 /nfs/dbraw/zinc/29/63/73/276296373.db2.gz OIJMNEFHBFFEIF-UHFFFAOYSA-N 0 0 332.307 3.307 10 5 EGBERN CC(C)(Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C(F)(F)F ZINC000290262084 276472302 /nfs/dbraw/zinc/47/23/02/276472302.db2.gz VHRFFHJWXVEMPM-UHFFFAOYSA-N 0 0 330.266 3.358 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000357606816 277267821 /nfs/dbraw/zinc/26/78/21/277267821.db2.gz UOFGZOAIZCBZFW-AWEZNQCLSA-N 0 0 347.415 3.136 10 5 EGBERN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000266493588 278268512 /nfs/dbraw/zinc/26/85/12/278268512.db2.gz TYNMOEMPXGREPR-STQMWFEESA-N 0 0 348.424 3.410 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338492725 278423698 /nfs/dbraw/zinc/42/36/98/278423698.db2.gz ZQBXUUHIFBZXHE-SNVBAGLBSA-N 0 0 334.319 3.237 10 5 EGBERN C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000362489727 279111582 /nfs/dbraw/zinc/11/15/82/279111582.db2.gz XDUZKBUOSSSHQK-HIFRSBDPSA-N 0 0 337.383 3.095 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000348129114 280182368 /nfs/dbraw/zinc/18/23/68/280182368.db2.gz UNWNNIONNFSJFC-LLVKDONJSA-N 0 0 327.262 3.214 10 5 EGBERN Cc1ccncc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000359935034 281489245 /nfs/dbraw/zinc/48/92/45/281489245.db2.gz UJVPUQLXADOYHN-UHFFFAOYSA-N 0 0 332.791 3.278 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])CCC2 ZINC000360642884 282041982 /nfs/dbraw/zinc/04/19/82/282041982.db2.gz RLHRINOKZGFZAJ-CYBMUJFWSA-N 0 0 331.397 3.476 10 5 EGBERN CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000413601109 309039159 /nfs/dbraw/zinc/03/91/59/309039159.db2.gz ZTQLVDUSEKQMFB-ZDUSSCGKSA-N 0 0 335.404 3.328 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000054719598 307338739 /nfs/dbraw/zinc/33/87/39/307338739.db2.gz OYBNBTLPYPRMPO-UHFFFAOYSA-N 0 0 325.368 3.150 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCc1noc(Cc2ccccc2)n1 ZINC000068050985 307368744 /nfs/dbraw/zinc/36/87/44/307368744.db2.gz KOPZKOHREVLPLD-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076711178 307408956 /nfs/dbraw/zinc/40/89/56/307408956.db2.gz AVMWQTXAQHVHSF-JKSUJKDBSA-N 0 0 326.352 3.370 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000081452074 307440043 /nfs/dbraw/zinc/44/00/43/307440043.db2.gz POKYQCRROYBMRH-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)OCC1CC1 ZINC000414010092 309056317 /nfs/dbraw/zinc/05/63/17/309056317.db2.gz SLDIRYIZRRHAJP-UHFFFAOYSA-N 0 0 340.807 3.492 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000124861313 307551832 /nfs/dbraw/zinc/55/18/32/307551832.db2.gz QXFJJBWKLLLAPN-UHFFFAOYSA-N 0 0 348.399 3.456 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414027693 309056978 /nfs/dbraw/zinc/05/69/78/309056978.db2.gz DCPRJJOXEOZKFQ-OCCSQVGLSA-N 0 0 334.416 3.173 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccco1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000414034280 309057202 /nfs/dbraw/zinc/05/72/02/309057202.db2.gz MOAVTUFYPWKWFY-PSASIEDQSA-N 0 0 340.257 3.493 10 5 EGBERN Cc1ccc(F)c(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000130914530 307636235 /nfs/dbraw/zinc/63/62/35/307636235.db2.gz NTPPSIJJYSHDGB-GFCCVEGCSA-N 0 0 344.342 3.399 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000133804441 307677476 /nfs/dbraw/zinc/67/74/76/307677476.db2.gz GYFLSIZJAAWBQH-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134566873 307689963 /nfs/dbraw/zinc/68/99/63/307689963.db2.gz RQOHOTLZCLPVIH-NHYWBVRUSA-N 0 0 340.807 3.309 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000157727096 307849569 /nfs/dbraw/zinc/84/95/69/307849569.db2.gz GPDRMVGSSGCGEA-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C ZINC000249148932 308020227 /nfs/dbraw/zinc/02/02/27/308020227.db2.gz GWNDBJGIXHEQOP-IINYFYTJSA-N 0 0 330.331 3.053 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000255020399 308037469 /nfs/dbraw/zinc/03/74/69/308037469.db2.gz AZPMZGQEVUKGMW-YVMONPNESA-N 0 0 348.362 3.224 10 5 EGBERN CCOC(=O)c1csc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000292817133 308068969 /nfs/dbraw/zinc/06/89/69/308068969.db2.gz CQWIBPOPIHQERY-ZDUSSCGKSA-N 0 0 349.412 3.469 10 5 EGBERN C[C@]12CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]1C2(F)F ZINC000292859607 308073189 /nfs/dbraw/zinc/07/31/89/308073189.db2.gz OIYTZPCXUKDHOO-ZBFHGGJFSA-N 0 0 349.337 3.122 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414473300 309082622 /nfs/dbraw/zinc/08/26/22/309082622.db2.gz QCPUQNAVAOTXFQ-ZYHUDNBSSA-N 0 0 338.410 3.260 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)[C@@H]1C ZINC000293870910 308169308 /nfs/dbraw/zinc/16/93/08/308169308.db2.gz AURGGQRJSWLOKJ-RNFRBKRXSA-N 0 0 347.596 3.491 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnn1CC(F)(F)F ZINC000294280103 308206415 /nfs/dbraw/zinc/20/64/15/308206415.db2.gz HHKYRMYFWFSRIU-UHFFFAOYSA-N 0 0 342.277 3.223 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc([C@H]2CCC(=O)N2)c1 ZINC000414534813 309087024 /nfs/dbraw/zinc/08/70/24/309087024.db2.gz GUWKGHLONAWCCA-QGZVFWFLSA-N 0 0 325.368 3.466 10 5 EGBERN CC[C@@H](C)c1nnc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000295144063 308296616 /nfs/dbraw/zinc/29/66/16/308296616.db2.gz ZYRZGNULCINYJA-BDAKNGLRSA-N 0 0 329.364 3.276 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295592369 308341347 /nfs/dbraw/zinc/34/13/47/308341347.db2.gz PFTFFTSUQPXEMU-UHFFFAOYSA-N 0 0 346.427 3.071 10 5 EGBERN Cc1cccnc1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000295809715 308362278 /nfs/dbraw/zinc/36/22/78/308362278.db2.gz UARANLQECNFYJU-UHFFFAOYSA-N 0 0 342.399 3.091 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@@H]1C ZINC000296049821 308388479 /nfs/dbraw/zinc/38/84/79/308388479.db2.gz TYPPLQOBIHUEQV-XPTSAGLGSA-N 0 0 326.780 3.054 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000296113691 308395099 /nfs/dbraw/zinc/39/50/99/308395099.db2.gz NRWMHHSHIZTHOW-QWRGUYRKSA-N 0 0 346.305 3.163 10 5 EGBERN CC[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000297896526 308571270 /nfs/dbraw/zinc/57/12/70/308571270.db2.gz QRTASRGLCZKHLW-AWEZNQCLSA-N 0 0 331.416 3.456 10 5 EGBERN Cc1ccccc1[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301074103 308687182 /nfs/dbraw/zinc/68/71/82/308687182.db2.gz GHOZDQQBGAVMRO-LLVKDONJSA-N 0 0 327.340 3.407 10 5 EGBERN Cc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000301081561 308687496 /nfs/dbraw/zinc/68/74/96/308687496.db2.gz KFINVMQEOAEBIN-ZDUSSCGKSA-N 0 0 335.404 3.397 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000301419245 308699455 /nfs/dbraw/zinc/69/94/55/308699455.db2.gz DFAIITIMYWLRGP-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301424248 308699592 /nfs/dbraw/zinc/69/95/92/308699592.db2.gz GGLDRQVNMWJXEC-QWHCGFSZSA-N 0 0 342.399 3.184 10 5 EGBERN Cc1nccn1Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000301546760 308704686 /nfs/dbraw/zinc/70/46/86/308704686.db2.gz UGRXEFDUZKINNW-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN C[C@H]1CN(C)c2ccccc2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301550183 308704874 /nfs/dbraw/zinc/70/48/74/308704874.db2.gz GNSUMCWMXYEXKK-LBPRGKRZSA-N 0 0 342.355 3.348 10 5 EGBERN Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301581905 308706090 /nfs/dbraw/zinc/70/60/90/308706090.db2.gz PWJHRDHJJJWZHB-GFCCVEGCSA-N 0 0 339.823 3.298 10 5 EGBERN CS[C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301669387 308710027 /nfs/dbraw/zinc/71/00/27/308710027.db2.gz DQCRLKVTRUHMOA-ZJUUUORDSA-N 0 0 337.401 3.012 10 5 EGBERN Cc1ccc([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301684571 308710802 /nfs/dbraw/zinc/71/08/02/308710802.db2.gz KWEIWIGYCUGECO-LBPRGKRZSA-N 0 0 341.367 3.450 10 5 EGBERN Cc1ccccc1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302007302 308725051 /nfs/dbraw/zinc/72/50/51/308725051.db2.gz UQYQNBMXWMWOPH-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC(Nc2ccccc2F)CC1 ZINC000302014986 308725243 /nfs/dbraw/zinc/72/52/43/308725243.db2.gz BTSPEZGAFQFMEL-UHFFFAOYSA-N 0 0 345.374 3.307 10 5 EGBERN COc1ccccc1[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302063367 308727696 /nfs/dbraw/zinc/72/76/96/308727696.db2.gz SRUOWLDRTIMOQW-CQSZACIVSA-N 0 0 328.368 3.090 10 5 EGBERN COc1ccc([C@H]2C[C@H](C)N(c3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302080352 308728476 /nfs/dbraw/zinc/72/84/76/308728476.db2.gz ZZNFVFOGTRKARB-BBRMVZONSA-N 0 0 342.395 3.478 10 5 EGBERN CCOc1cccc(N2CCO[C@@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000302087580 308728822 /nfs/dbraw/zinc/72/88/22/308728822.db2.gz FQJWUCPQZGNIPO-QGZVFWFLSA-N 0 0 344.367 3.277 10 5 EGBERN COc1cc(OC)c2ncnc(Oc3cccc([N+](=O)[O-])c3)c2c1 ZINC000302727285 308743307 /nfs/dbraw/zinc/74/33/07/308743307.db2.gz KIJMJSIZHPYUPX-UHFFFAOYSA-N 0 0 327.296 3.348 10 5 EGBERN Cc1cc(CCNc2nc3sccn3c2[N+](=O)[O-])cc(C)c1O ZINC000302773108 308744843 /nfs/dbraw/zinc/74/48/43/308744843.db2.gz NPZVBJZBXXWIOA-UHFFFAOYSA-N 0 0 332.385 3.281 10 5 EGBERN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(C)c1 ZINC000303147058 308751956 /nfs/dbraw/zinc/75/19/56/308751956.db2.gz SAWZGNQZLOIAIX-UHFFFAOYSA-N 0 0 341.411 3.468 10 5 EGBERN COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410354419 308916571 /nfs/dbraw/zinc/91/65/71/308916571.db2.gz PZZCPZJVQYOREL-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c(OC)c1 ZINC000410420344 308916995 /nfs/dbraw/zinc/91/69/95/308916995.db2.gz PBNIHFBLQNEERJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000412395104 308984500 /nfs/dbraw/zinc/98/45/00/308984500.db2.gz QROZARRLTCAIHT-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000412653707 308996016 /nfs/dbraw/zinc/99/60/16/308996016.db2.gz JVXXKVUFNDCGIL-QMMMGPOBSA-N 0 0 329.278 3.394 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccn1C ZINC000412729056 309000145 /nfs/dbraw/zinc/00/01/45/309000145.db2.gz LKHFGGPOPACRGX-UHFFFAOYSA-N 0 0 334.401 3.473 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412778234 309002278 /nfs/dbraw/zinc/00/22/78/309002278.db2.gz IMIGIBUNUFAYQF-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000412808305 309003768 /nfs/dbraw/zinc/00/37/68/309003768.db2.gz GKRMURCUGMVIQJ-UHFFFAOYSA-N 0 0 343.383 3.499 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3ncc[nH]3)CC2)c(C(F)(F)F)c1 ZINC000413095863 309015832 /nfs/dbraw/zinc/01/58/32/309015832.db2.gz AJTOWNTXWPUXSO-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416591984 309174353 /nfs/dbraw/zinc/17/43/53/309174353.db2.gz ODEUZSCQXNYFMS-DYVFJYSZSA-N 0 0 346.408 3.340 10 5 EGBERN CCOC(=O)c1noc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000417032414 309190457 /nfs/dbraw/zinc/19/04/57/309190457.db2.gz QIJQWKYWLRNHCG-UHFFFAOYSA-N 0 0 348.359 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(CCNc2ccc(F)cc2N2CCOCC2)cc1 ZINC000417071770 309191945 /nfs/dbraw/zinc/19/19/45/309191945.db2.gz WDSBZLMMUALVGP-UHFFFAOYSA-N 0 0 345.374 3.225 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)CCO1 ZINC000420618046 309290359 /nfs/dbraw/zinc/29/03/59/309290359.db2.gz LMCBBUPSKLPDFN-NXEZZACHSA-N 0 0 344.209 3.430 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420620903 309290453 /nfs/dbraw/zinc/29/04/53/309290453.db2.gz FFNKMOLZDBMRKU-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC34CCSCC4)cc2N1 ZINC000420650997 309291762 /nfs/dbraw/zinc/29/17/62/309291762.db2.gz IYQVCYCBLCVMOJ-GFCCVEGCSA-N 0 0 347.440 3.425 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420810228 309296049 /nfs/dbraw/zinc/29/60/49/309296049.db2.gz ZDMBHQUGKMOGTP-DOTOQJQBSA-N 0 0 349.431 3.174 10 5 EGBERN CC[C@H](NC(=O)NCCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000420876035 309298950 /nfs/dbraw/zinc/29/89/50/309298950.db2.gz MBESMLQVNIXDHI-HNNXBMFYSA-N 0 0 335.404 3.040 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000421671025 309333810 /nfs/dbraw/zinc/33/38/10/309333810.db2.gz PJHKZDNSHIRLNJ-DGCLKSJQSA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000421674242 309334142 /nfs/dbraw/zinc/33/41/42/309334142.db2.gz ZVFWELDAPPLQFA-NEPJUHHUSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nn1C(C)C ZINC000421732735 309337423 /nfs/dbraw/zinc/33/74/23/309337423.db2.gz SGFGDUILUZKFHS-UHFFFAOYSA-N 0 0 336.779 3.317 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422194462 309357502 /nfs/dbraw/zinc/35/75/02/309357502.db2.gz YVWMLLHRJOOZDD-PBHICJAKSA-N 0 0 349.431 3.240 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC(C)(C)C ZINC000425032622 309462998 /nfs/dbraw/zinc/46/29/98/309462998.db2.gz CLTKXOHSXNRADT-IUODEOHRSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425137170 309467230 /nfs/dbraw/zinc/46/72/30/309467230.db2.gz DCHMWITTXXESCY-ILWJIGKKSA-N 0 0 339.189 3.194 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC12CC2 ZINC000425676614 309490069 /nfs/dbraw/zinc/49/00/69/309490069.db2.gz UKMAJQFYWYTZHA-JTQLQIEISA-N 0 0 326.150 3.031 10 5 EGBERN COc1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC000426458572 309507527 /nfs/dbraw/zinc/50/75/27/309507527.db2.gz IECWASDWQNRGNB-UHFFFAOYSA-N 0 0 340.339 3.374 10 5 EGBERN CC(=O)c1ccsc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000427416988 309528692 /nfs/dbraw/zinc/52/86/92/309528692.db2.gz WOUIDZMPRZJKFQ-UHFFFAOYSA-N 0 0 333.369 3.218 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2Cc2ccccc2)n1 ZINC000427449177 309529174 /nfs/dbraw/zinc/52/91/74/309529174.db2.gz MTXRMKVTRVUXDM-HNNXBMFYSA-N 0 0 342.399 3.049 10 5 EGBERN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000428095005 309542149 /nfs/dbraw/zinc/54/21/49/309542149.db2.gz XEVGRYCJNITREG-OAHLLOKOSA-N 0 0 334.759 3.252 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000428381399 309549440 /nfs/dbraw/zinc/54/94/40/309549440.db2.gz OMNPFKLEQVYIDX-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1ccc(C)c(CN(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000428662221 309558043 /nfs/dbraw/zinc/55/80/43/309558043.db2.gz DCUWMMHYBBRZMD-UHFFFAOYSA-N 0 0 348.424 3.252 10 5 EGBERN Cn1cc(C(=O)N[C@@H]2CC23CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430221028 309602200 /nfs/dbraw/zinc/60/22/00/309602200.db2.gz CPMSJIRYKULPBE-OAHLLOKOSA-N 0 0 340.383 3.058 10 5 EGBERN CSc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000430407382 309607459 /nfs/dbraw/zinc/60/74/59/309607459.db2.gz XCKOQFVBGYZZNO-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1F ZINC000434331954 309709179 /nfs/dbraw/zinc/70/91/79/309709179.db2.gz FLGLXKILEQMOAP-SECBINFHSA-N 0 0 335.310 3.255 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000434766666 309719770 /nfs/dbraw/zinc/71/97/70/309719770.db2.gz OMUSPFWTCBNTSH-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000435260752 309728006 /nfs/dbraw/zinc/72/80/06/309728006.db2.gz TZIRGHYNIJIGIV-VIFPVBQESA-N 0 0 326.299 3.234 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000436009337 309744796 /nfs/dbraw/zinc/74/47/96/309744796.db2.gz HRFKKQGXPYRMAN-CYBMUJFWSA-N 0 0 329.400 3.233 10 5 EGBERN COC1CCC(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000455097134 310344395 /nfs/dbraw/zinc/34/43/95/310344395.db2.gz SDKSDKJIRPUWOX-FUJMWEONSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1sc(C(=O)NCCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000441797673 309876545 /nfs/dbraw/zinc/87/65/45/309876545.db2.gz CQKSXVLNFDXALL-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443759558 309907711 /nfs/dbraw/zinc/90/77/11/309907711.db2.gz PLFQSUGZYQQPLJ-LSDHHAIUSA-N 0 0 340.445 3.229 10 5 EGBERN COc1coc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1=O ZINC000444005151 309911837 /nfs/dbraw/zinc/91/18/37/309911837.db2.gz VFIMAUSHBSBPEL-UHFFFAOYSA-N 0 0 345.229 3.154 10 5 EGBERN Cc1ncc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000446110013 309956367 /nfs/dbraw/zinc/95/63/67/309956367.db2.gz WTWIGOJXLDWCMZ-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN CCSc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccn1 ZINC000447670121 309985475 /nfs/dbraw/zinc/98/54/75/309985475.db2.gz IFHCMJSDKWMYDT-UHFFFAOYSA-N 0 0 329.385 3.012 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@@H](OC)C1 ZINC000447799634 309988835 /nfs/dbraw/zinc/98/88/35/309988835.db2.gz KQBZTXYLAZXLPX-WCBMZHEXSA-N 0 0 328.752 3.014 10 5 EGBERN C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000448580349 310007222 /nfs/dbraw/zinc/00/72/22/310007222.db2.gz YBPLWSKBFRMQAU-LLVKDONJSA-N 0 0 332.381 3.497 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000448797398 310018256 /nfs/dbraw/zinc/01/82/56/310018256.db2.gz QHCFSAHFQIIJDD-DLBZAZTESA-N 0 0 338.363 3.230 10 5 EGBERN Cc1ccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419476 310060471 /nfs/dbraw/zinc/06/04/71/310060471.db2.gz HNCNFMWJZHSEFT-PKOBYXMFSA-N 0 0 344.386 3.203 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449863251 310091275 /nfs/dbraw/zinc/09/12/75/310091275.db2.gz DUTKVQFNTNAZPL-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN COC(=O)Cc1ccc(N[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000450411761 310120993 /nfs/dbraw/zinc/12/09/93/310120993.db2.gz OWCGXIZITLREOM-SFHVURJKSA-N 0 0 341.367 3.269 10 5 EGBERN COc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000450523298 310128121 /nfs/dbraw/zinc/12/81/21/310128121.db2.gz FVARLMQREQQQKX-PIGZYNQJSA-N 0 0 336.363 3.395 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450604404 310132522 /nfs/dbraw/zinc/13/25/22/310132522.db2.gz WDHLWJBYDNSSKH-NFAWXSAZSA-N 0 0 337.383 3.408 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000450685626 310137175 /nfs/dbraw/zinc/13/71/75/310137175.db2.gz SVGZSXIRFLGVQX-OUCADQQQSA-N 0 0 325.796 3.163 10 5 EGBERN COc1cc(OC)c(C[C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000450706827 310138485 /nfs/dbraw/zinc/13/84/85/310138485.db2.gz GPPAZGZUEQUKIG-LLVKDONJSA-N 0 0 347.371 3.059 10 5 EGBERN COc1cccc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000450791864 310142714 /nfs/dbraw/zinc/14/27/14/310142714.db2.gz JMDHEGFWZBBSCI-CZUORRHYSA-N 0 0 329.356 3.331 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000450795789 310142871 /nfs/dbraw/zinc/14/28/71/310142871.db2.gz OIQLOBJJMVRZGZ-BXUZGUMPSA-N 0 0 334.763 3.370 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451120531 310161587 /nfs/dbraw/zinc/16/15/87/310161587.db2.gz KLMUSFDVHCPXBF-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451403804 310176263 /nfs/dbraw/zinc/17/62/63/310176263.db2.gz MVFQCQGIVGWYEQ-LBPRGKRZSA-N 0 0 340.383 3.390 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C1CC1 ZINC000452486225 310229812 /nfs/dbraw/zinc/22/98/12/310229812.db2.gz JIIRIANLSUNWHP-CYBMUJFWSA-N 0 0 339.189 3.290 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000452600995 310234177 /nfs/dbraw/zinc/23/41/77/310234177.db2.gz WAQLCHMWWSMIIM-OIISXLGYSA-N 0 0 332.400 3.059 10 5 EGBERN CCC[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452709381 310238254 /nfs/dbraw/zinc/23/82/54/310238254.db2.gz SGOYXHBVVYNRTE-SECBINFHSA-N 0 0 334.294 3.159 10 5 EGBERN COC[C@@]1(C)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452793183 310242042 /nfs/dbraw/zinc/24/20/42/310242042.db2.gz HAMSSVNXIPCQKG-HNNXBMFYSA-N 0 0 326.780 3.055 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000452894175 310247621 /nfs/dbraw/zinc/24/76/21/310247621.db2.gz QACANJXOVJBIOV-ABAIWWIYSA-N 0 0 340.807 3.429 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1CCCCCC1 ZINC000453907278 310290562 /nfs/dbraw/zinc/29/05/62/310290562.db2.gz ZGYAFYNOJJIMPJ-UHFFFAOYSA-N 0 0 347.415 3.237 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454146855 310294495 /nfs/dbraw/zinc/29/44/95/310294495.db2.gz MZOUBZWEIONKAT-CZUORRHYSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454197672 310296600 /nfs/dbraw/zinc/29/66/00/310296600.db2.gz KPXSANNBGQGYKJ-CJNGLKHVSA-N 0 0 335.404 3.476 10 5 EGBERN CCOc1cc(NC(=O)NCC[C@@H](C)F)c([N+](=O)[O-])cc1OCC ZINC000454355548 310305051 /nfs/dbraw/zinc/30/50/51/310305051.db2.gz YDTZGPMCNRRESB-SNVBAGLBSA-N 0 0 343.355 3.262 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000454383933 310306616 /nfs/dbraw/zinc/30/66/16/310306616.db2.gz ZXAWPIFLURPNNQ-JJRVBVJISA-N 0 0 349.431 3.406 10 5 EGBERN Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000454423195 310309064 /nfs/dbraw/zinc/30/90/64/310309064.db2.gz DJRDNPUAAGYBIM-QWRGUYRKSA-N 0 0 334.401 3.481 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454849007 310332473 /nfs/dbraw/zinc/33/24/73/310332473.db2.gz QOSQCYVQDVWPMZ-YQQAZPJKSA-N 0 0 347.415 3.051 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000455354997 310357090 /nfs/dbraw/zinc/35/70/90/310357090.db2.gz GMNFKHXFXJQMNK-QGZVFWFLSA-N 0 0 349.387 3.028 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000456115855 310389248 /nfs/dbraw/zinc/38/92/48/310389248.db2.gz BLOXXLVMOZGCAC-CYBMUJFWSA-N 0 0 348.399 3.073 10 5 EGBERN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)nnn1C(C)C ZINC000456175004 310392057 /nfs/dbraw/zinc/39/20/57/310392057.db2.gz YVQCJEVIFDVCJQ-UHFFFAOYSA-N 0 0 346.391 3.148 10 5 EGBERN CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460315796 310581903 /nfs/dbraw/zinc/58/19/03/310581903.db2.gz YPWGGEUQIVRMCD-IUODEOHRSA-N 0 0 329.404 3.498 10 5 EGBERN CC(C)NC(=O)c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000462840406 310606655 /nfs/dbraw/zinc/60/66/55/310606655.db2.gz LZVNVBYPXRBBCE-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN COC(=O)c1ccc(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000467730065 310677319 /nfs/dbraw/zinc/67/73/19/310677319.db2.gz BKNBNJFJATWCCU-UHFFFAOYSA-N 0 0 348.330 3.184 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473389208 310774123 /nfs/dbraw/zinc/77/41/23/310774123.db2.gz MFWFXWKXELGRQY-WCBMZHEXSA-N 0 0 341.289 3.489 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000483035165 310940643 /nfs/dbraw/zinc/94/06/43/310940643.db2.gz ISBDQQODBFPYGK-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN Cc1cc2n[nH]cc2cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487715245 311034988 /nfs/dbraw/zinc/03/49/88/311034988.db2.gz BOWINMABDAYVHR-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000487878790 311040943 /nfs/dbraw/zinc/04/09/43/311040943.db2.gz LGTFPGWDVIPYAJ-MRXNPFEDSA-N 0 0 343.408 3.059 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000488790515 311080308 /nfs/dbraw/zinc/08/03/08/311080308.db2.gz IPIOYPQZECTTHH-QWRGUYRKSA-N 0 0 332.447 3.149 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000488794082 311080323 /nfs/dbraw/zinc/08/03/23/311080323.db2.gz FFJDSYAHNVWFFY-ZDUSSCGKSA-N 0 0 340.445 3.493 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000488996338 311088449 /nfs/dbraw/zinc/08/84/49/311088449.db2.gz YBGMCBUWHLDDJV-UHFFFAOYSA-N 0 0 336.269 3.211 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501124238 311939415 /nfs/dbraw/zinc/93/94/15/311939415.db2.gz HQAUCGBBZVKYEH-SMDDNHRTSA-N 0 0 335.404 3.439 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(N3CCc4cc(F)ccc43)CC2)cn1 ZINC000509495023 312118667 /nfs/dbraw/zinc/11/86/67/312118667.db2.gz SYJSIVUBKRFKLF-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H]1CCc2ccccc2C1 ZINC000513639957 312214233 /nfs/dbraw/zinc/21/42/33/312214233.db2.gz HVLOYBAXKFPBOV-ZDUSSCGKSA-N 0 0 335.363 3.110 10 5 EGBERN COc1ncccc1-c1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000516342980 312320788 /nfs/dbraw/zinc/32/07/88/312320788.db2.gz GSFTWFLXVQZQET-JTQLQIEISA-N 0 0 326.312 3.200 10 5 EGBERN CCOC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000523130434 312610156 /nfs/dbraw/zinc/61/01/56/312610156.db2.gz YWZDLYNPXXIDAB-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN O=C(Nc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000532146053 313760893 /nfs/dbraw/zinc/76/08/93/313760893.db2.gz UTSVVXLQSQARBS-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000532396051 313793505 /nfs/dbraw/zinc/79/35/05/313793505.db2.gz QSIBWQMLKCNTOZ-CABCVRRESA-N 0 0 335.404 3.046 10 5 EGBERN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000532397407 313794287 /nfs/dbraw/zinc/79/42/87/313794287.db2.gz IANIKXDMNHXJGI-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN COc1cc(NCc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])cc1F ZINC000532421388 313797572 /nfs/dbraw/zinc/79/75/72/313797572.db2.gz QOUJEIYSDGFHHP-UHFFFAOYSA-N 0 0 348.256 3.113 10 5 EGBERN O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000535556268 314052825 /nfs/dbraw/zinc/05/28/25/314052825.db2.gz PTWOZLAJGISDKQ-UHFFFAOYSA-N 0 0 347.321 3.467 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000537323376 314174320 /nfs/dbraw/zinc/17/43/20/314174320.db2.gz ZLRIPTGUDFARQO-HNNXBMFYSA-N 0 0 332.400 3.487 10 5 EGBERN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537590195 314192609 /nfs/dbraw/zinc/19/26/09/314192609.db2.gz ICESPCJNQBHNOP-MEBBXXQBSA-N 0 0 349.774 3.149 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000543902722 314663176 /nfs/dbraw/zinc/66/31/76/314663176.db2.gz UONMCZIJUJPSQE-JTQLQIEISA-N 0 0 344.323 3.283 10 5 EGBERN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545197435 314740737 /nfs/dbraw/zinc/74/07/37/314740737.db2.gz XSMMQFNNQDNNAV-YVEFUNNKSA-N 0 0 325.368 3.433 10 5 EGBERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545197434 314740770 /nfs/dbraw/zinc/74/07/70/314740770.db2.gz XSMMQFNNQDNNAV-SJKOYZFVSA-N 0 0 325.368 3.433 10 5 EGBERN C[C@@H]1C[C@H](C)N1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424343 315008097 /nfs/dbraw/zinc/00/80/97/315008097.db2.gz QZECVFMOYKWYIW-PHIMTYICSA-N 0 0 346.412 3.140 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000548465241 315013389 /nfs/dbraw/zinc/01/33/89/315013389.db2.gz HLBUYUZBFNDSDC-GXFFZTMASA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000548751271 315042745 /nfs/dbraw/zinc/04/27/45/315042745.db2.gz PTLNRQPMWKTFFJ-KDOFPFPSSA-N 0 0 331.416 3.359 10 5 EGBERN CC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549869583 315108624 /nfs/dbraw/zinc/10/86/24/315108624.db2.gz SHTVABVUKYFBRW-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCc2nnsc2Cl)c1 ZINC000551360034 315151465 /nfs/dbraw/zinc/15/14/65/315151465.db2.gz UMXBMXYOHTXMRD-UHFFFAOYSA-N 0 0 349.597 3.474 10 5 EGBERN CCc1ncncc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551357388 315151694 /nfs/dbraw/zinc/15/16/94/315151694.db2.gz HJEKUCQTXOZBDU-UHFFFAOYSA-N 0 0 328.372 3.497 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1snnc1C(C)(C)C ZINC000552711961 315229631 /nfs/dbraw/zinc/22/96/31/315229631.db2.gz CLYSDBLUOCEZFS-UHFFFAOYSA-N 0 0 348.428 3.059 10 5 EGBERN COC(=O)c1cccc(CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1 ZINC000553131243 315246799 /nfs/dbraw/zinc/24/67/99/315246799.db2.gz HSLZPXBDYVCMGE-UHFFFAOYSA-N 0 0 342.351 3.239 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000553490728 315266807 /nfs/dbraw/zinc/26/68/07/315266807.db2.gz OGGVPJWDQJSDQX-SNVBAGLBSA-N 0 0 339.804 3.456 10 5 EGBERN CC(C)[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nncn1C ZINC000553578869 315270891 /nfs/dbraw/zinc/27/08/91/315270891.db2.gz RQZOGCYJUHEONS-AWEZNQCLSA-N 0 0 326.360 3.081 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)CCCC(F)(F)F)c1[N+](=O)[O-] ZINC000553583280 315271437 /nfs/dbraw/zinc/27/14/37/315271437.db2.gz WSOYFKZKNIOOQC-QMMMGPOBSA-N 0 0 349.309 3.040 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000554747874 315346646 /nfs/dbraw/zinc/34/66/46/315346646.db2.gz ZKJRWTILDWOAGW-ZDUSSCGKSA-N 0 0 345.330 3.168 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555167863 315370336 /nfs/dbraw/zinc/37/03/36/315370336.db2.gz MPFNQZLHAOMBNX-VHSXEESVSA-N 0 0 345.321 3.378 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000558958848 315612299 /nfs/dbraw/zinc/61/22/99/315612299.db2.gz GOZVEALOBBDXJT-JSGCOSHPSA-N 0 0 342.342 3.004 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000561268487 315753173 /nfs/dbraw/zinc/75/31/73/315753173.db2.gz NBOGSIFPTPHPPH-VHRBIJSZSA-N 0 0 333.388 3.100 10 5 EGBERN C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561692476 315776721 /nfs/dbraw/zinc/77/67/21/315776721.db2.gz GNVRKNKLMXPFNN-NXEZZACHSA-N 0 0 326.343 3.356 10 5 EGBERN CCC[C@H]1[C@H](C)CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000563738751 316063455 /nfs/dbraw/zinc/06/34/55/316063455.db2.gz KIBJQPGXYVMGPO-RISCZKNCSA-N 0 0 335.404 3.490 10 5 EGBERN CC[C@H]1C[C@@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564316075 316135293 /nfs/dbraw/zinc/13/52/93/316135293.db2.gz XMXBSIQIJFWNEY-OCCSQVGLSA-N 0 0 344.415 3.449 10 5 EGBERN CCc1cnc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000564717343 316193440 /nfs/dbraw/zinc/19/34/40/316193440.db2.gz UVLJLLQYEYSYAX-NSHDSACASA-N 0 0 333.413 3.076 10 5 EGBERN Cc1sccc1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564753561 316199197 /nfs/dbraw/zinc/19/91/97/316199197.db2.gz KPJWKYULAYLWPD-UHFFFAOYSA-N 0 0 343.408 3.347 10 5 EGBERN C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000567306037 316597785 /nfs/dbraw/zinc/59/77/85/316597785.db2.gz IULFWLNHOOTYPQ-XJKSGUPXSA-N 0 0 325.368 3.196 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Cc2ccc(Cl)cc2)n1 ZINC000567843276 316681418 /nfs/dbraw/zinc/68/14/18/316681418.db2.gz TZOFQSRHGZJKEI-UHFFFAOYSA-N 0 0 334.759 3.451 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCOC3(CCOCC3)C1)CCCC2 ZINC000568387949 316768432 /nfs/dbraw/zinc/76/84/32/316768432.db2.gz WWEAVUMNIHYVOX-CQSZACIVSA-N 0 0 347.415 3.009 10 5 EGBERN CC1(C)CC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570074255 317004359 /nfs/dbraw/zinc/00/43/59/317004359.db2.gz VYJRZRQJEWLBRC-HNNXBMFYSA-N 0 0 330.388 3.106 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@H]1CCc2ccccc2C1 ZINC000572036542 317282223 /nfs/dbraw/zinc/28/22/23/317282223.db2.gz UTPDKLLPAVYFNB-NSHDSACASA-N 0 0 341.392 3.171 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000573705855 317520734 /nfs/dbraw/zinc/52/07/34/317520734.db2.gz JZRHSHIXFCZUHI-KOLCDFICSA-N 0 0 346.305 3.467 10 5 EGBERN COCC[C@@H](COC)Nc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574285132 317582026 /nfs/dbraw/zinc/58/20/26/317582026.db2.gz QCMPVGQLMUGKLE-JTQLQIEISA-N 0 0 336.310 3.385 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000574620978 317618241 /nfs/dbraw/zinc/61/82/41/317618241.db2.gz XMNVDDLHDGYVIT-ZDUSSCGKSA-N 0 0 330.388 3.350 10 5 EGBERN Cc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000171428535 323234955 /nfs/dbraw/zinc/23/49/55/323234955.db2.gz PPWNKTFMHJOKIU-UHFFFAOYSA-N 0 0 342.399 3.418 10 5 EGBERN O=C(NC/C=C/c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171993192 323265290 /nfs/dbraw/zinc/26/52/90/323265290.db2.gz DKQHWVPDUZLLOL-QPJJXVBHSA-N 0 0 348.362 3.224 10 5 EGBERN Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000175921114 323324323 /nfs/dbraw/zinc/32/43/23/323324323.db2.gz KRRZTAANRVSKOU-ZDUSSCGKSA-N 0 0 328.372 3.167 10 5 EGBERN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000185112356 323688896 /nfs/dbraw/zinc/68/88/96/323688896.db2.gz QLQYUWWKGBHUPQ-LBPRGKRZSA-N 0 0 345.384 3.342 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CCC(C)(C)C)C1=O ZINC000349281517 324005171 /nfs/dbraw/zinc/00/51/71/324005171.db2.gz VNGUCIKOLHARMZ-BXUZGUMPSA-N 0 0 333.388 3.403 10 5 EGBERN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)c(C(F)(F)F)n1 ZINC000350532578 324085468 /nfs/dbraw/zinc/08/54/68/324085468.db2.gz IJFBRVYRNHYUTC-UHFFFAOYSA-N 0 0 345.262 3.126 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccccc2N(C)C)c1 ZINC000577292147 324781028 /nfs/dbraw/zinc/78/10/28/324781028.db2.gz FJOHDWCUNQNLEP-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN Cc1cccc(NC2CCN(C(=O)CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000577829357 324873237 /nfs/dbraw/zinc/87/32/37/324873237.db2.gz DLGWBXGYAHJDAH-UHFFFAOYSA-N 0 0 345.321 3.259 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000579241256 325082802 /nfs/dbraw/zinc/08/28/02/325082802.db2.gz AEADLDYQMAEJMT-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000582393673 325437554 /nfs/dbraw/zinc/43/75/54/325437554.db2.gz WDMVXRZPZZSBED-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2cnc3ccccc3c2)c1[N+](=O)[O-] ZINC000583280399 325510803 /nfs/dbraw/zinc/51/08/03/325510803.db2.gz VOHGOBRQMGRRTK-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN CCc1sc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1C ZINC000157788562 455232023 /nfs/dbraw/zinc/23/20/23/455232023.db2.gz AOCFYVZXIPXWLZ-VIFPVBQESA-N 0 0 334.401 3.194 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CCO)CC(C)C ZINC000183224495 455254664 /nfs/dbraw/zinc/25/46/64/455254664.db2.gz DPLSPONKDFECHM-UKYUDJEDSA-N 0 0 334.416 3.159 10 5 EGBERN CCO[C@@H](CSCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600637931 460554483 /nfs/dbraw/zinc/55/44/83/460554483.db2.gz OMXAQCMGJLWIID-HNNXBMFYSA-N 0 0 338.429 3.472 10 5 EGBERN COc1ccc(C2=NO[C@@H](COc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000000158282 452524570 /nfs/dbraw/zinc/52/45/70/452524570.db2.gz YVQXLBJIPYSRSE-MRXNPFEDSA-N 0 0 328.324 3.175 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000173557099 455305189 /nfs/dbraw/zinc/30/51/89/455305189.db2.gz VRVAXPZJGUCDHJ-RISCZKNCSA-N 0 0 346.387 3.001 10 5 EGBERN CCOc1ccccc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000005199933 452847172 /nfs/dbraw/zinc/84/71/72/452847172.db2.gz YEFKXZHTSDKBFE-UHFFFAOYSA-N 0 0 329.356 3.312 10 5 EGBERN Cc1ccc(OCc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])n1 ZINC000005702270 452895380 /nfs/dbraw/zinc/89/53/80/452895380.db2.gz PRLLGOCYJWOGNU-UHFFFAOYSA-N 0 0 336.731 3.302 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000600694386 460570889 /nfs/dbraw/zinc/57/08/89/460570889.db2.gz JAHCDXXXUFMDAK-UHFFFAOYSA-N 0 0 331.294 3.151 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600761466 460593539 /nfs/dbraw/zinc/59/35/39/460593539.db2.gz PZZOWWVCMZTVMT-VOJFVSQTSA-N 0 0 341.367 3.253 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012798641 453406298 /nfs/dbraw/zinc/40/62/98/453406298.db2.gz IYXSZSQZMJSJTQ-OAHLLOKOSA-N 0 0 348.742 3.199 10 5 EGBERN C[C@@H](C(=O)N1CC[C@H](c2ccc(O)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600776741 460599698 /nfs/dbraw/zinc/59/96/98/460599698.db2.gz RMVDJIAUPKJPMY-CJNGLKHVSA-N 0 0 340.379 3.420 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000023754082 453716859 /nfs/dbraw/zinc/71/68/59/453716859.db2.gz HGFMFMBEGREOMC-AWEZNQCLSA-N 0 0 343.383 3.194 10 5 EGBERN CCc1cc2c(ncnc2NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000024057146 453724171 /nfs/dbraw/zinc/72/41/71/453724171.db2.gz GSFHDASKEYCSJJ-CQSZACIVSA-N 0 0 344.396 3.307 10 5 EGBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)co2)c(C)c1 ZINC000024839202 453749173 /nfs/dbraw/zinc/74/91/73/453749173.db2.gz VUICXOJTMUQQGK-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN O=C(OC[C@H]1CCCO1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000025396870 453769637 /nfs/dbraw/zinc/76/96/37/453769637.db2.gz FYQJPKCGGDRHIJ-OAHLLOKOSA-N 0 0 348.399 3.311 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000025908679 453789404 /nfs/dbraw/zinc/78/94/04/453789404.db2.gz NRAKOHOPYGARDW-LLVKDONJSA-N 0 0 347.346 3.032 10 5 EGBERN Cc1csc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236555 455364921 /nfs/dbraw/zinc/36/49/21/455364921.db2.gz NJLOJDXPUBJGIW-GHMZBOCLSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000029940150 453832765 /nfs/dbraw/zinc/83/27/65/453832765.db2.gz OUMZMXOXBCSZGE-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN O=C(CN1CCOc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030594333 453836952 /nfs/dbraw/zinc/83/69/52/453836952.db2.gz YUKULASTUFYGQT-UHFFFAOYSA-N 0 0 347.758 3.086 10 5 EGBERN CN(C)c1ccc(CCCNC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000031664726 453851310 /nfs/dbraw/zinc/85/13/10/453851310.db2.gz CEKQOMXKKIBGIS-UHFFFAOYSA-N 0 0 342.399 3.415 10 5 EGBERN C[C@H]1C[C@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000032393845 453870060 /nfs/dbraw/zinc/87/00/60/453870060.db2.gz PZXIVZADUVMNOH-IPYPFGDCSA-N 0 0 331.416 3.217 10 5 EGBERN O=[N+]([O-])c1cnccc1Sc1nnc(NCc2ccco2)s1 ZINC000066797672 453874597 /nfs/dbraw/zinc/87/45/97/453874597.db2.gz FJSYLIDVWAQZFT-UHFFFAOYSA-N 0 0 335.370 3.198 10 5 EGBERN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000032777403 453890080 /nfs/dbraw/zinc/89/00/80/453890080.db2.gz ZIRUVRSKFWCIHN-SECBINFHSA-N 0 0 347.352 3.299 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000036624330 453928616 /nfs/dbraw/zinc/92/86/16/453928616.db2.gz AXOIFLBEIQDDKD-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000083195993 453942967 /nfs/dbraw/zinc/94/29/67/453942967.db2.gz IGGIADWBGNRBHB-KBXCAEBGSA-N 0 0 347.415 3.258 10 5 EGBERN CCOCCOc1ccccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076711259 454029114 /nfs/dbraw/zinc/02/91/14/454029114.db2.gz XSWRIUUDBMGVLW-UHFFFAOYSA-N 0 0 344.367 3.287 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000042958403 454033614 /nfs/dbraw/zinc/03/36/14/454033614.db2.gz BWQNGCWYMCXEHM-INIZCTEOSA-N 0 0 325.368 3.472 10 5 EGBERN C[C@@H](Cn1cncn1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000069192893 454085917 /nfs/dbraw/zinc/08/59/17/454085917.db2.gz POQCWGJFWBZYLN-ZETCQYMHSA-N 0 0 349.700 3.359 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000159704029 455397308 /nfs/dbraw/zinc/39/73/08/455397308.db2.gz IOVQPPARRJOYBW-UHFFFAOYSA-N 0 0 331.397 3.131 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000088253030 454096477 /nfs/dbraw/zinc/09/64/77/454096477.db2.gz TVRHBMQNTWOOKC-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000044366901 454098597 /nfs/dbraw/zinc/09/85/97/454098597.db2.gz USUJTSTZOUWIPK-UHFFFAOYSA-N 0 0 342.380 3.114 10 5 EGBERN COc1ccc([C@H]2C[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000069708626 454136558 /nfs/dbraw/zinc/13/65/58/454136558.db2.gz JVYJHMXCXZEJTG-HZPDHXFCSA-N 0 0 326.352 3.023 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnn(CC)c1 ZINC000069740295 454139382 /nfs/dbraw/zinc/13/93/82/454139382.db2.gz UHJPBRZTIIUNMY-AWEZNQCLSA-N 0 0 336.779 3.346 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000159985198 455420313 /nfs/dbraw/zinc/42/03/13/455420313.db2.gz ZBKFBKFDEGSHNQ-CYBMUJFWSA-N 0 0 341.367 3.209 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119308590 454185746 /nfs/dbraw/zinc/18/57/46/454185746.db2.gz MFIFTPMIMZGMRX-CYBMUJFWSA-N 0 0 326.352 3.199 10 5 EGBERN CC(C)(C)c1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000130262493 454186422 /nfs/dbraw/zinc/18/64/22/454186422.db2.gz IQDNDYJMJMZSMT-UHFFFAOYSA-N 0 0 345.384 3.477 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccoc3)cc2[N+](=O)[O-])C1 ZINC000045835832 454188192 /nfs/dbraw/zinc/18/81/92/454188192.db2.gz UMPXDCBWBDBNDE-CYBMUJFWSA-N 0 0 343.383 3.354 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1ccsc1 ZINC000046366197 454245514 /nfs/dbraw/zinc/24/55/14/454245514.db2.gz PKVOYQFAXCRIHR-UHFFFAOYSA-N 0 0 333.413 3.207 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000078411222 454249855 /nfs/dbraw/zinc/24/98/55/454249855.db2.gz MHEUBFVFHBIDQP-UHFFFAOYSA-N 0 0 349.387 3.464 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131446862 454254774 /nfs/dbraw/zinc/25/47/74/454254774.db2.gz ZISRYUHDVCJGEY-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CCc1noc(C)c1NC(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096011268 454263232 /nfs/dbraw/zinc/26/32/32/454263232.db2.gz MHXIZRQRJFNWJL-UHFFFAOYSA-N 0 0 341.327 3.096 10 5 EGBERN CC(C)N(CC(F)F)C(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096011262 454263359 /nfs/dbraw/zinc/26/33/59/454263359.db2.gz PSXJQOGQWPHONK-UHFFFAOYSA-N 0 0 338.314 3.101 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000131734617 454281225 /nfs/dbraw/zinc/28/12/25/454281225.db2.gz DOZKCWLZDSFKRW-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000072302974 454291797 /nfs/dbraw/zinc/29/17/97/454291797.db2.gz RSSMTSZYEOKSET-CHWSQXEVSA-N 0 0 333.731 3.131 10 5 EGBERN CC[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466216 454309783 /nfs/dbraw/zinc/30/97/83/454309783.db2.gz LUEJQBZLELBKMW-UPCLLVRISA-N 0 0 346.408 3.213 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000132266356 454326351 /nfs/dbraw/zinc/32/63/51/454326351.db2.gz WHHIYBXHVOINDR-JKSUJKDBSA-N 0 0 349.431 3.354 10 5 EGBERN CCOC(=O)Cc1csc(Sc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000061173190 454330190 /nfs/dbraw/zinc/33/01/90/454330190.db2.gz RUFVFKCWOWVCIC-UHFFFAOYSA-N 0 0 342.373 3.447 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1nccs1)C(C)C ZINC000132671056 454357283 /nfs/dbraw/zinc/35/72/83/454357283.db2.gz NJPBUMZSOOPOGW-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN CCc1noc(CC)c1CN[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000097017290 454388511 /nfs/dbraw/zinc/38/85/11/454388511.db2.gz WRZNSQCWJAWGLA-JTQLQIEISA-N 0 0 347.371 3.287 10 5 EGBERN Cc1nn(C)c2sc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000073304109 454418919 /nfs/dbraw/zinc/41/89/19/454418919.db2.gz GTKAWTHSJRIAOE-UHFFFAOYSA-N 0 0 330.369 3.128 10 5 EGBERN Cc1cn2cc(CC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)nc2s1 ZINC000600893861 460632041 /nfs/dbraw/zinc/63/20/41/460632041.db2.gz AHRJDNFETHWQOF-UHFFFAOYSA-N 0 0 344.396 3.410 10 5 EGBERN COC(=O)c1cc(N2CCc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000091671871 454455366 /nfs/dbraw/zinc/45/53/66/454455366.db2.gz SOMGXDXBNBSKBZ-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000160341659 455449549 /nfs/dbraw/zinc/44/95/49/455449549.db2.gz KAKSTFRGPTVPAG-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN CCc1nc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 ZINC000103374890 454551106 /nfs/dbraw/zinc/55/11/06/454551106.db2.gz PDMXZZVBKJGEJP-JTQLQIEISA-N 0 0 331.397 3.134 10 5 EGBERN Cc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])cc3C)cc2)n1 ZINC000092654803 454601557 /nfs/dbraw/zinc/60/15/57/454601557.db2.gz PMIIKNVRZSZZPT-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cccc(C[S@@](C)=O)c2)c1 ZINC000092654860 454601952 /nfs/dbraw/zinc/60/19/52/454601952.db2.gz YUYGOLLBUATFSX-QHCPKHFHSA-N 0 0 338.360 3.365 10 5 EGBERN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050486 454606632 /nfs/dbraw/zinc/60/66/32/454606632.db2.gz COKCLKNUFBKODL-JSGCOSHPSA-N 0 0 339.461 3.173 10 5 EGBERN Cc1sc(C(=O)Nc2cc(-c3ccncc3)nn2C)cc1[N+](=O)[O-] ZINC000080705666 454622085 /nfs/dbraw/zinc/62/20/85/454622085.db2.gz WHRKUTKSLXDZQO-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2cc(C)c([N+](=O)[O-])cn2)cs1 ZINC000074767595 454631976 /nfs/dbraw/zinc/63/19/76/454631976.db2.gz CMMMNFCELVKOMM-LLVKDONJSA-N 0 0 336.417 3.489 10 5 EGBERN CCc1nc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000105714358 454653937 /nfs/dbraw/zinc/65/39/37/454653937.db2.gz NSLWZDMLPBZAEE-SNVBAGLBSA-N 0 0 340.426 3.290 10 5 EGBERN CCn1cc(C2CCN(c3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000124022325 454694289 /nfs/dbraw/zinc/69/42/89/454694289.db2.gz PTSOEGDQKMEYMM-UHFFFAOYSA-N 0 0 348.378 3.343 10 5 EGBERN O=C(Nc1cc(F)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124018344 454694397 /nfs/dbraw/zinc/69/43/97/454694397.db2.gz RELSPTQIQHOSHR-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN C[C@H](C(=O)NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1F ZINC000612523468 460649203 /nfs/dbraw/zinc/64/92/03/460649203.db2.gz XQKHTUXIYUUFSD-QMMMGPOBSA-N 0 0 326.711 3.400 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000136799510 454756912 /nfs/dbraw/zinc/75/69/12/454756912.db2.gz PRPGUKVVPJIHNW-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153175564 454766707 /nfs/dbraw/zinc/76/67/07/454766707.db2.gz GFAZHMVSOKYWJZ-AWEZNQCLSA-N 0 0 349.394 3.295 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000162320868 454767348 /nfs/dbraw/zinc/76/73/48/454767348.db2.gz JEGNYNFHBSRWQY-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153184505 454768600 /nfs/dbraw/zinc/76/86/00/454768600.db2.gz KXOSQSQZOIDVLL-NSHDSACASA-N 0 0 330.340 3.190 10 5 EGBERN COc1ccc(-c2nc(CNc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000176898868 454796675 /nfs/dbraw/zinc/79/66/75/454796675.db2.gz QLSNGNCCEQGRQP-UHFFFAOYSA-N 0 0 326.312 3.266 10 5 EGBERN Cc1cc(C)cc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000125444080 454822009 /nfs/dbraw/zinc/82/20/09/454822009.db2.gz CRYSBQHUNSMVJN-UHFFFAOYSA-N 0 0 348.424 3.270 10 5 EGBERN Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1 ZINC000153985334 454853833 /nfs/dbraw/zinc/85/38/33/454853833.db2.gz YADDGILLRFTQFT-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN CSCCCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000125965091 454860665 /nfs/dbraw/zinc/86/06/65/454860665.db2.gz AUUJPJXXCRGYAX-NSHDSACASA-N 0 0 328.459 3.335 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111475328 454867024 /nfs/dbraw/zinc/86/70/24/454867024.db2.gz TYWHYACOOJTGEK-SJLPKXTDSA-N 0 0 339.395 3.240 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177814004 454909949 /nfs/dbraw/zinc/90/99/49/454909949.db2.gz IWKBWPTWIJQERX-RDJZCZTQSA-N 0 0 344.342 3.305 10 5 EGBERN CC1(C)[C@@H](C(F)(F)F)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000170606561 454940797 /nfs/dbraw/zinc/94/07/97/454940797.db2.gz BNITUNQLSUXQDF-VIFPVBQESA-N 0 0 328.294 3.410 10 5 EGBERN Cc1nn(CCC(=O)O[C@H]2C=C(C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000170617734 454942893 /nfs/dbraw/zinc/94/28/93/454942893.db2.gz SBSKNEVYPRQREJ-AWEZNQCLSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(Nc3ccccc3)n2)c1=O ZINC000127238620 454947948 /nfs/dbraw/zinc/94/79/48/454947948.db2.gz ZFMKDVKMTZHQNP-UHFFFAOYSA-N 0 0 342.380 3.313 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000170715162 454962546 /nfs/dbraw/zinc/96/25/46/454962546.db2.gz RILPYVUMXUGFAD-UHFFFAOYSA-N 0 0 342.355 3.267 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000191566862 455497477 /nfs/dbraw/zinc/49/74/77/455497477.db2.gz ZSBFWDPAXBLWFJ-UHFFFAOYSA-N 0 0 338.360 3.460 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127576136 454978526 /nfs/dbraw/zinc/97/85/26/454978526.db2.gz CKJHOCNSDSFDKN-BDJLRTHQSA-N 0 0 338.791 3.015 10 5 EGBERN COc1ccc(NC(C)=O)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000155362625 454992199 /nfs/dbraw/zinc/99/21/99/454992199.db2.gz FCHVSLSUIYHNOI-UHFFFAOYSA-N 0 0 345.355 3.183 10 5 EGBERN CCOC1CC(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000191622679 455504817 /nfs/dbraw/zinc/50/48/17/455504817.db2.gz JXUKCGOKIVMKDH-UHFFFAOYSA-N 0 0 336.388 3.307 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000151714054 455020851 /nfs/dbraw/zinc/02/08/51/455020851.db2.gz JUOUNEZAVLGXHT-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000151776025 455028388 /nfs/dbraw/zinc/02/83/88/455028388.db2.gz QZVRNOGQHRTEMV-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000151829448 455036127 /nfs/dbraw/zinc/03/61/27/455036127.db2.gz WPDWFZFEHXKKQT-LBPRGKRZSA-N 0 0 332.381 3.048 10 5 EGBERN Cc1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000116731226 455067513 /nfs/dbraw/zinc/06/75/13/455067513.db2.gz DMNVKXGKVVFENI-UHFFFAOYSA-N 0 0 349.774 3.037 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000152070622 455068917 /nfs/dbraw/zinc/06/89/17/455068917.db2.gz VDCQCGRKYBKWHJ-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000156078172 455079593 /nfs/dbraw/zinc/07/95/93/455079593.db2.gz UHXMRLOZPDUDCV-ZDUSSCGKSA-N 0 0 348.380 3.385 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000156092880 455080405 /nfs/dbraw/zinc/08/04/05/455080405.db2.gz ZPWLJVCOHYVKFU-JTQLQIEISA-N 0 0 336.373 3.333 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nccs1 ZINC000171654073 455082647 /nfs/dbraw/zinc/08/26/47/455082647.db2.gz ATNLVLUDSNXAKD-CQSZACIVSA-N 0 0 346.412 3.217 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000612561848 460662148 /nfs/dbraw/zinc/66/21/48/460662148.db2.gz HJOKLTLRQKXHIE-SKDRFNHKSA-N 0 0 346.305 3.301 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(F)cc4)CC3)nn21 ZINC000157005130 455160958 /nfs/dbraw/zinc/16/09/58/455160958.db2.gz GHWZEEHEYZBGTJ-UHFFFAOYSA-N 0 0 339.330 3.070 10 5 EGBERN CCOc1ccc(C(=O)NCCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183407841 455289606 /nfs/dbraw/zinc/28/96/06/455289606.db2.gz SXIOYOGVKTVNKV-AWEZNQCLSA-N 0 0 336.388 3.073 10 5 EGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000180643102 455215788 /nfs/dbraw/zinc/21/57/88/455215788.db2.gz ABWCBZRHKIUECG-ZETCQYMHSA-N 0 0 325.777 3.383 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000173493960 455293676 /nfs/dbraw/zinc/29/36/76/455293676.db2.gz YMUAZETVPDCOSA-ZDUSSCGKSA-N 0 0 331.397 3.000 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)Cc3cccc([N+](=O)[O-])c3)c21 ZINC000173519113 455299590 /nfs/dbraw/zinc/29/95/90/455299590.db2.gz ZBLBYLAUHFIYPR-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN O=C(NCc1ccccc1OC1CCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183620798 455313420 /nfs/dbraw/zinc/31/34/20/455313420.db2.gz JYXZGXJJMVQVDV-UHFFFAOYSA-N 0 0 342.355 3.243 10 5 EGBERN CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000183625102 455313426 /nfs/dbraw/zinc/31/34/26/455313426.db2.gz JKEOFPXDUOEZCP-SNVBAGLBSA-N 0 0 342.417 3.287 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000265802121 455383327 /nfs/dbraw/zinc/38/33/27/455383327.db2.gz KAMGONGGCGUMEF-UHFFFAOYSA-N 0 0 345.403 3.090 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184521430 455395908 /nfs/dbraw/zinc/39/59/08/455395908.db2.gz WIMLDZSDLXKXOY-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000191454976 455486400 /nfs/dbraw/zinc/48/64/00/455486400.db2.gz HGCIZBHMNBNTOH-UHFFFAOYSA-N 0 0 338.751 3.034 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)n1 ZINC000191639992 455506340 /nfs/dbraw/zinc/50/63/40/455506340.db2.gz MBFGZLCXJCHBPY-UHFFFAOYSA-N 0 0 344.415 3.169 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(F)(F)F)c2C)n1 ZINC000191670676 455508831 /nfs/dbraw/zinc/50/88/31/455508831.db2.gz SLYPFPNOELXBLR-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)n1 ZINC000191721721 455513894 /nfs/dbraw/zinc/51/38/94/455513894.db2.gz YNTMTKHXJGFOBI-OAHLLOKOSA-N 0 0 344.415 3.056 10 5 EGBERN CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000267845690 455555989 /nfs/dbraw/zinc/55/59/89/455555989.db2.gz OTNPOTDUPBIYLL-ZETCQYMHSA-N 0 0 341.414 3.059 10 5 EGBERN COc1ccncc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601024442 460679127 /nfs/dbraw/zinc/67/91/27/460679127.db2.gz YVTYRYAQMZBFHU-UHFFFAOYSA-N 0 0 327.340 3.059 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)CCn2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000268043865 455585046 /nfs/dbraw/zinc/58/50/46/455585046.db2.gz YTQUPRNOJRTCCK-NSHDSACASA-N 0 0 337.763 3.448 10 5 EGBERN CCN(Cc1ccncc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601028891 460681214 /nfs/dbraw/zinc/68/12/14/460681214.db2.gz XMUCDOHAYWVTBT-UHFFFAOYSA-N 0 0 339.395 3.460 10 5 EGBERN C[C@@H]1CCC[C@@H](Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248078773 455679300 /nfs/dbraw/zinc/67/93/00/455679300.db2.gz HZPHUBGSCUDUQB-MBNYWOFBSA-N 0 0 345.399 3.485 10 5 EGBERN C[C@H](NC(=O)NCC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271685172 455721685 /nfs/dbraw/zinc/72/16/85/455721685.db2.gz CVKJHPAIDNDVJS-AWEZNQCLSA-N 0 0 349.431 3.288 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248669977 455725836 /nfs/dbraw/zinc/72/58/36/455725836.db2.gz RXJQFFQEPAJAFH-XHDPSFHLSA-N 0 0 348.378 3.225 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](CCO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271707050 455729251 /nfs/dbraw/zinc/72/92/51/455729251.db2.gz IVIVVJAIZSZXIP-CJNGLKHVSA-N 0 0 349.431 3.286 10 5 EGBERN O=[N+]([O-])c1cnn(CCN2CC[C@H](C(F)(F)F)c3ccccc32)c1 ZINC000292747284 455746972 /nfs/dbraw/zinc/74/69/72/455746972.db2.gz NRBWADOHIAGZSE-ZDUSSCGKSA-N 0 0 340.305 3.348 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000193244744 455748864 /nfs/dbraw/zinc/74/88/64/455748864.db2.gz OLPLXROUTBHDHV-SNVBAGLBSA-N 0 0 335.310 3.410 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCOC1 ZINC000278094307 455755792 /nfs/dbraw/zinc/75/57/92/455755792.db2.gz YRLDMIRYIPAKCR-NSHDSACASA-N 0 0 326.780 3.055 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186644144 455811942 /nfs/dbraw/zinc/81/19/42/455811942.db2.gz YSRAOHLLBLWUOR-CYBMUJFWSA-N 0 0 336.413 3.289 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000186667684 455815808 /nfs/dbraw/zinc/81/58/08/455815808.db2.gz IEZSOTHQZKRKIE-NVXWUHKLSA-N 0 0 336.432 3.029 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000253426547 455845439 /nfs/dbraw/zinc/84/54/39/455845439.db2.gz HLAKJMHWERAOSC-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000280147653 455902884 /nfs/dbraw/zinc/90/28/84/455902884.db2.gz CRGYKNUYQIRLCX-UHFFFAOYSA-N 0 0 334.401 3.183 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000272290323 455903492 /nfs/dbraw/zinc/90/34/92/455903492.db2.gz BMDQIKPQPFNMTA-WFASDCNBSA-N 0 0 335.404 3.164 10 5 EGBERN CC(C)(C)/C=C/c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296376653 455921600 /nfs/dbraw/zinc/92/16/00/455921600.db2.gz IYKIVJUVBWUGGE-VOTSOKGWSA-N 0 0 340.343 3.285 10 5 EGBERN CC1(C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280307008 455942528 /nfs/dbraw/zinc/94/25/28/455942528.db2.gz PFWSECDHQASZHI-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN CCC[C@@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000296546306 455968761 /nfs/dbraw/zinc/96/87/61/455968761.db2.gz BNMSNKAUOOIYNQ-GFCCVEGCSA-N 0 0 345.193 3.419 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2nccn2C(C)C)c1[N+](=O)[O-] ZINC000286288583 456017126 /nfs/dbraw/zinc/01/71/26/456017126.db2.gz XPRHCHZPERVGQL-UHFFFAOYSA-N 0 0 336.373 3.013 10 5 EGBERN CC(C)c1ccc(CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000271019374 456099511 /nfs/dbraw/zinc/09/95/11/456099511.db2.gz NQKATLJFPVOSJR-UHFFFAOYSA-N 0 0 342.399 3.257 10 5 EGBERN COc1cc(N2CCC(OCC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271076296 456118922 /nfs/dbraw/zinc/11/89/22/456118922.db2.gz HAZOQVINKGLJHD-UHFFFAOYSA-N 0 0 326.368 3.384 10 5 EGBERN CC1(C)[C@@H]2CN(c3nc(N4C[C@@H]5[C@H](C4)C5(C)C)c([N+](=O)[O-])s3)C[C@@H]21 ZINC000301478920 456125975 /nfs/dbraw/zinc/12/59/75/456125975.db2.gz XYGKCCHCJNAAJO-BKUVIOGVSA-N 0 0 348.472 3.236 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000301491552 456129252 /nfs/dbraw/zinc/12/92/52/456129252.db2.gz NRUBBAONQYDRSZ-MQZONAICSA-N 0 0 348.399 3.134 10 5 EGBERN COc1ccc(O)cc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188833328 456148268 /nfs/dbraw/zinc/14/82/68/456148268.db2.gz ZZFUFVUBZSJBKA-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN O=C(c1cnc(C2CC2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297205519 456149543 /nfs/dbraw/zinc/14/95/43/456149543.db2.gz RRJFYRPKEYQPQU-UHFFFAOYSA-N 0 0 338.367 3.067 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301619807 456164635 /nfs/dbraw/zinc/16/46/35/456164635.db2.gz XJAINRPMKPJARZ-AWEZNQCLSA-N 0 0 343.383 3.303 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCOC3CCCCCC3)cc2N1 ZINC000301666921 456179136 /nfs/dbraw/zinc/17/91/36/456179136.db2.gz CONMAWMYICQTAA-UHFFFAOYSA-N 0 0 349.387 3.077 10 5 EGBERN C[C@@H](CCc1cccn1C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121690 460718248 /nfs/dbraw/zinc/71/82/48/460718248.db2.gz PZIKREIUHDVFDH-VIFPVBQESA-N 0 0 345.325 3.119 10 5 EGBERN CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000301802888 456217209 /nfs/dbraw/zinc/21/72/09/456217209.db2.gz UQXRPRGGTDPOLC-OAHLLOKOSA-N 0 0 347.321 3.115 10 5 EGBERN CCOc1cc(NCc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000301809054 456220906 /nfs/dbraw/zinc/22/09/06/456220906.db2.gz XGQJALGBUDYIFX-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-n2ccnn2)cc1 ZINC000301812882 456221796 /nfs/dbraw/zinc/22/17/96/456221796.db2.gz CBVZOYCEACYHIJ-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ncc(C(C)(C)C)o1 ZINC000601124564 460719388 /nfs/dbraw/zinc/71/93/88/460719388.db2.gz RMXGMBGRISZPEB-UHFFFAOYSA-N 0 0 347.297 3.245 10 5 EGBERN CC(C)(C)c1ccc(-c2nc(-c3ccncn3)no2)cc1[N+](=O)[O-] ZINC000281468507 456242266 /nfs/dbraw/zinc/24/22/66/456242266.db2.gz RNWKDFCIWJIHIL-UHFFFAOYSA-N 0 0 325.328 3.399 10 5 EGBERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988582 456265387 /nfs/dbraw/zinc/26/53/87/456265387.db2.gz LNPUDOWTPBWQTN-WCQYABFASA-N 0 0 341.346 3.159 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2COC3(CCCCC3)O2)c1 ZINC000302021268 456270178 /nfs/dbraw/zinc/27/01/78/456270178.db2.gz NXKRIEMSNGYPAN-LBPRGKRZSA-N 0 0 340.351 3.230 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2COC3(CCCCC3)O2)c1 ZINC000302021267 456270186 /nfs/dbraw/zinc/27/01/86/456270186.db2.gz NXKRIEMSNGYPAN-GFCCVEGCSA-N 0 0 340.351 3.230 10 5 EGBERN CCCOc1ccc2c(c1)CCN(c1cc(CO)ccc1[N+](=O)[O-])C2 ZINC000302029843 456271565 /nfs/dbraw/zinc/27/15/65/456271565.db2.gz JLIOLEQBHNIHKN-UHFFFAOYSA-N 0 0 342.395 3.439 10 5 EGBERN COc1ccc([C@H]2C[C@@H](C)N(c3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302080353 456281425 /nfs/dbraw/zinc/28/14/25/456281425.db2.gz ZZNFVFOGTRKARB-CJNGLKHVSA-N 0 0 342.395 3.478 10 5 EGBERN COc1cc(CNc2ccncc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000340153677 456285135 /nfs/dbraw/zinc/28/51/35/456285135.db2.gz AUAAAYRJCFMLJD-UHFFFAOYSA-N 0 0 345.399 3.457 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342879839 456291328 /nfs/dbraw/zinc/29/13/28/456291328.db2.gz FCKBCVNPQTYKQX-UHFFFAOYSA-N 0 0 327.344 3.181 10 5 EGBERN CC(C)N(CCc1nccs1)c1nc2sccn2c1[N+](=O)[O-] ZINC000302225349 456321590 /nfs/dbraw/zinc/32/15/90/456321590.db2.gz RHCGWYFPYRHSKA-UHFFFAOYSA-N 0 0 337.430 3.218 10 5 EGBERN COC[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000342941367 456326788 /nfs/dbraw/zinc/32/67/88/456326788.db2.gz WKFPAQFXWXIPCW-HNNXBMFYSA-N 0 0 340.339 3.043 10 5 EGBERN Cc1nnc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000275840471 456329212 /nfs/dbraw/zinc/32/92/12/456329212.db2.gz UQKQPSHCHMFWRR-ZETCQYMHSA-N 0 0 340.792 3.208 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nccs1 ZINC000342946512 456331496 /nfs/dbraw/zinc/33/14/96/456331496.db2.gz YCVLWFIWMGOBSF-JTQLQIEISA-N 0 0 330.369 3.414 10 5 EGBERN COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000337179007 456335134 /nfs/dbraw/zinc/33/51/34/456335134.db2.gz PSYBYQPMLMYMPF-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN COc1ccc(Oc2ncnc3cc(F)c(OC)cc32)c([N+](=O)[O-])c1 ZINC000302336559 456335161 /nfs/dbraw/zinc/33/51/61/456335161.db2.gz VOYYROHUHUXOSA-UHFFFAOYSA-N 0 0 345.286 3.487 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCc1nc2ccccc2n1C1CC1 ZINC000601141793 460729425 /nfs/dbraw/zinc/72/94/25/460729425.db2.gz HVFJOABITXGIQG-UHFFFAOYSA-N 0 0 327.319 3.426 10 5 EGBERN CCOC[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000275928672 456352489 /nfs/dbraw/zinc/35/24/89/456352489.db2.gz ZOFVQQRKSASXPB-GFCCVEGCSA-N 0 0 340.807 3.445 10 5 EGBERN CCc1nocc1CN(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298052329 456353104 /nfs/dbraw/zinc/35/31/04/456353104.db2.gz UZVGBMNCZPHBKJ-HNNXBMFYSA-N 0 0 346.387 3.438 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c(F)cccc23)c1 ZINC000302770794 456395303 /nfs/dbraw/zinc/39/53/03/456395303.db2.gz CBRZODHIZLUERY-UHFFFAOYSA-N 0 0 343.270 3.256 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818867 456409169 /nfs/dbraw/zinc/40/91/69/456409169.db2.gz NQLADOIRGJJVDY-LBPRGKRZSA-N 0 0 339.367 3.227 10 5 EGBERN COc1cc2c(cc1OC)CN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000302852767 456417742 /nfs/dbraw/zinc/41/77/42/456417742.db2.gz JPJIBHAWPIZGLC-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccccc1OC(F)F)CC2 ZINC000352997994 456437222 /nfs/dbraw/zinc/43/72/22/456437222.db2.gz BGBAHYFERUMKKP-UHFFFAOYSA-N 0 0 335.310 3.150 10 5 EGBERN C[C@@H]1N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000348051668 456447317 /nfs/dbraw/zinc/44/73/17/456447317.db2.gz SOFZIQRFUYVGGC-AWEZNQCLSA-N 0 0 346.427 3.290 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC=C(Br)C1 ZINC000282319700 456476874 /nfs/dbraw/zinc/47/68/74/456476874.db2.gz SGEFTAJYIGELBF-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN O=C(CSc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2 ZINC000337766320 456532712 /nfs/dbraw/zinc/53/27/12/456532712.db2.gz SVUJGUWYXIUUJP-UHFFFAOYSA-N 0 0 332.337 3.054 10 5 EGBERN CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000343373143 456570239 /nfs/dbraw/zinc/57/02/39/456570239.db2.gz ZYMXOZJDYCGAMG-UHFFFAOYSA-N 0 0 348.384 3.358 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1csc([N+](=O)[O-])c1 ZINC000343428223 456614265 /nfs/dbraw/zinc/61/42/65/456614265.db2.gz AZUGDTBZIZRTJQ-UHFFFAOYSA-N 0 0 334.401 3.341 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC000283236686 456743750 /nfs/dbraw/zinc/74/37/50/456743750.db2.gz SCROGFMOWXKORE-INIZCTEOSA-N 0 0 349.394 3.384 10 5 EGBERN CC(C)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000291774125 456752576 /nfs/dbraw/zinc/75/25/76/456752576.db2.gz UBDOFWBNOXUYEM-TZMCWYRMSA-N 0 0 338.429 3.101 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348619835 456782979 /nfs/dbraw/zinc/78/29/79/456782979.db2.gz DQMPIHHNGUYDJS-PXAZEXFGSA-N 0 0 325.368 3.328 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000277449985 456828964 /nfs/dbraw/zinc/82/89/64/456828964.db2.gz OBDXJLQDJOENKU-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000277456115 456831966 /nfs/dbraw/zinc/83/19/66/456831966.db2.gz ONEBEHNEQOPAOY-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000301255490 456835571 /nfs/dbraw/zinc/83/55/71/456835571.db2.gz BIZACJLIJBKNPY-NSHDSACASA-N 0 0 331.347 3.137 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000341318410 456844807 /nfs/dbraw/zinc/84/48/07/456844807.db2.gz FRXQOPZHUODOPR-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341327696 456848879 /nfs/dbraw/zinc/84/88/79/456848879.db2.gz UKJOFWDPXQIFSM-AEFFLSMTSA-N 0 0 344.342 3.203 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341329930 456851409 /nfs/dbraw/zinc/85/14/09/456851409.db2.gz UOMPJUSYPWUPIU-NSHDSACASA-N 0 0 327.340 3.044 10 5 EGBERN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000348801588 456861855 /nfs/dbraw/zinc/86/18/55/456861855.db2.gz NNDCOSLAWDTKBF-SWLSCSKDSA-N 0 0 325.368 3.371 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 ZINC000353705216 456863803 /nfs/dbraw/zinc/86/38/03/456863803.db2.gz BXXWDZQVPNSCDN-UHFFFAOYSA-N 0 0 331.353 3.344 10 5 EGBERN Cc1cccnc1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000348808093 456864528 /nfs/dbraw/zinc/86/45/28/456864528.db2.gz ZGXSBKHQSBGBNE-UHFFFAOYSA-N 0 0 337.282 3.176 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000349182045 456905468 /nfs/dbraw/zinc/90/54/68/456905468.db2.gz UNQUJECKISYVOP-JSGCOSHPSA-N 0 0 346.362 3.016 10 5 EGBERN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000353901950 456958549 /nfs/dbraw/zinc/95/85/49/456958549.db2.gz STYXHCWNNNSQKF-SSDOTTSWSA-N 0 0 343.206 3.060 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341912941 456997501 /nfs/dbraw/zinc/99/75/01/456997501.db2.gz DCDDGDSQOBJXSO-DGCLKSJQSA-N 0 0 349.412 3.059 10 5 EGBERN C[C@H]1CC2(CCC2)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000349695792 457018250 /nfs/dbraw/zinc/01/82/50/457018250.db2.gz SHHRYMASBVOLCB-LBPRGKRZSA-N 0 0 327.388 3.159 10 5 EGBERN CCOC(=O)c1nnc(Sc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000362682451 457042424 /nfs/dbraw/zinc/04/24/24/457042424.db2.gz ZMWVKKPFNQLVAF-UHFFFAOYSA-N 0 0 347.324 3.052 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ncc[nH]2)no1 ZINC000349778207 457049045 /nfs/dbraw/zinc/04/90/45/457049045.db2.gz PBSORPASJPWDSU-SSDOTTSWSA-N 0 0 335.707 3.161 10 5 EGBERN NC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000330537204 457053940 /nfs/dbraw/zinc/05/39/40/457053940.db2.gz XCPKBQJAGUHFKN-SECBINFHSA-N 0 0 325.752 3.168 10 5 EGBERN C[C@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC12CCOCC2 ZINC000349859788 457083233 /nfs/dbraw/zinc/08/32/33/457083233.db2.gz XWABCXAGDGPUIC-GFCCVEGCSA-N 0 0 343.383 3.107 10 5 EGBERN CCC[C@H]1SCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362832554 457114722 /nfs/dbraw/zinc/11/47/22/457114722.db2.gz ZYQJLZKSHYMMQI-CQSZACIVSA-N 0 0 330.356 3.117 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000362927876 457159964 /nfs/dbraw/zinc/15/99/64/457159964.db2.gz MJEMUWMQTJXACH-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000359970818 457178476 /nfs/dbraw/zinc/17/84/76/457178476.db2.gz OXFQBFYHBOTHHV-NSHDSACASA-N 0 0 346.339 3.018 10 5 EGBERN CC(C)COCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356870902 457188452 /nfs/dbraw/zinc/18/84/52/457188452.db2.gz WRWNEYSDWFSHKI-UHFFFAOYSA-N 0 0 345.193 3.359 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000362995912 457190039 /nfs/dbraw/zinc/19/00/39/457190039.db2.gz FXLGDUDPOWIWCE-INIZCTEOSA-N 0 0 334.416 3.273 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000356922513 457221218 /nfs/dbraw/zinc/22/12/18/457221218.db2.gz PNMZHBRJQBREMI-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000347085571 457222114 /nfs/dbraw/zinc/22/21/14/457222114.db2.gz MANLPBNUXNKRAC-DIFFPNOSSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccccc1CN(CCO)c1cc(C)c([N+](=O)[O-])cc1F ZINC000360064584 457235089 /nfs/dbraw/zinc/23/50/89/457235089.db2.gz CWTCUYQKFGICGP-UHFFFAOYSA-N 0 0 334.347 3.050 10 5 EGBERN CCSCC[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342357042 457253982 /nfs/dbraw/zinc/25/39/82/457253982.db2.gz DJALVJZENRSLMR-SECBINFHSA-N 0 0 332.372 3.063 10 5 EGBERN CCc1nc(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000360136911 457270487 /nfs/dbraw/zinc/27/04/87/457270487.db2.gz XDTOLZNHMUXESQ-UHFFFAOYSA-N 0 0 335.385 3.055 10 5 EGBERN CO[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000354537594 457276704 /nfs/dbraw/zinc/27/67/04/457276704.db2.gz QHICLKZQWWRZJM-SJKOYZFVSA-N 0 0 344.367 3.174 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CCC2(CC2)CC1 ZINC000347208914 457290514 /nfs/dbraw/zinc/29/05/14/457290514.db2.gz QQVBEOZSMDKGBL-UHFFFAOYSA-N 0 0 327.384 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)c1C ZINC000360201964 457295148 /nfs/dbraw/zinc/29/51/48/457295148.db2.gz HMEJYQXGBROAJX-PWSUYJOCSA-N 0 0 326.418 3.021 10 5 EGBERN CCS[C@H]1CCC[C@@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340025890 457321938 /nfs/dbraw/zinc/32/19/38/457321938.db2.gz VUGPMEJLBDSUFG-RYUDHWBXSA-N 0 0 339.417 3.171 10 5 EGBERN O=C(CC[C@@H]1CCOC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347273167 457323405 /nfs/dbraw/zinc/32/34/05/457323405.db2.gz IGFZHEBSZBHJCY-SECBINFHSA-N 0 0 343.177 3.113 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355221385 457348203 /nfs/dbraw/zinc/34/82/03/457348203.db2.gz LIMPEXOTIKILLO-HUUCEWRRSA-N 0 0 334.416 3.242 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000360813804 457366391 /nfs/dbraw/zinc/36/63/91/457366391.db2.gz QCQIRHJCKQIRPF-UHFFFAOYSA-N 0 0 336.351 3.279 10 5 EGBERN C[C@H](N(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000347356128 457371140 /nfs/dbraw/zinc/37/11/40/457371140.db2.gz ISHPZTOSVZWWFE-AWEZNQCLSA-N 0 0 344.415 3.255 10 5 EGBERN COC(=O)c1cc(NCc2ccnc(SC)c2)cc(C)c1[N+](=O)[O-] ZINC000357203212 457371816 /nfs/dbraw/zinc/37/18/16/457371816.db2.gz LTQMBEZHRQEOAK-UHFFFAOYSA-N 0 0 347.396 3.419 10 5 EGBERN Cc1csc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000357217424 457379537 /nfs/dbraw/zinc/37/95/37/457379537.db2.gz OPPYFDFCWSPPKW-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000369786122 457398405 /nfs/dbraw/zinc/39/84/05/457398405.db2.gz DNXRXXZRBOQNOS-SFHVURJKSA-N 0 0 343.358 3.241 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000425004601 457402202 /nfs/dbraw/zinc/40/22/02/457402202.db2.gz NWXFWSGQKSNCMX-FUHWJXTLSA-N 0 0 344.342 3.036 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000360882098 457405471 /nfs/dbraw/zinc/40/54/71/457405471.db2.gz YAHPQJWKOWMGFX-UHFFFAOYSA-N 0 0 344.367 3.089 10 5 EGBERN Cc1cc2ccccc2n1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357330476 457452050 /nfs/dbraw/zinc/45/20/50/457452050.db2.gz HLLCRKULVWONCX-UHFFFAOYSA-N 0 0 349.350 3.275 10 5 EGBERN O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000392331587 457458057 /nfs/dbraw/zinc/45/80/57/457458057.db2.gz ZHBHROUGBPMOTK-UHFFFAOYSA-N 0 0 344.348 3.254 10 5 EGBERN CNc1c(C(=O)N2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000360951396 457458972 /nfs/dbraw/zinc/45/89/72/457458972.db2.gz NYTGLQONMKILLD-IBGZPJMESA-N 0 0 339.395 3.440 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1Oc1ncc(C)cc1[N+](=O)[O-] ZINC000425271010 457478216 /nfs/dbraw/zinc/47/82/16/457478216.db2.gz BRKYWULAMOQUME-QHCPKHFHSA-N 0 0 336.369 3.145 10 5 EGBERN Cc1cccc(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000347515946 457478640 /nfs/dbraw/zinc/47/86/40/457478640.db2.gz XJUOPMNOMMMIRV-UHFFFAOYSA-N 0 0 336.351 3.405 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000361004102 457503953 /nfs/dbraw/zinc/50/39/53/457503953.db2.gz WLGZFEQUHPKRHZ-OAHLLOKOSA-N 0 0 343.431 3.225 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000425351772 457513682 /nfs/dbraw/zinc/51/36/82/457513682.db2.gz VUWFDWIBEJUTRC-HNNXBMFYSA-N 0 0 326.418 3.210 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000364183316 457515029 /nfs/dbraw/zinc/51/50/29/457515029.db2.gz WXKLQTHCYUZBAT-UHFFFAOYSA-N 0 0 334.278 3.396 10 5 EGBERN CC(C)COCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357437274 457525523 /nfs/dbraw/zinc/52/55/23/457525523.db2.gz GQZYPKDBBQOQOQ-MRXNPFEDSA-N 0 0 338.429 3.232 10 5 EGBERN Cn1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)n1 ZINC000342786688 457527553 /nfs/dbraw/zinc/52/75/53/457527553.db2.gz UNJOWWDMRXAMBH-GOSISDBHSA-N 0 0 340.358 3.347 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356303914 457562163 /nfs/dbraw/zinc/56/21/63/457562163.db2.gz SLTLXASBBRYRLH-UHFFFAOYSA-N 0 0 328.246 3.413 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc2ccccc2s1 ZINC000347638786 457566781 /nfs/dbraw/zinc/56/67/81/457566781.db2.gz DLUCHRAXPWBQDM-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000425505012 457579340 /nfs/dbraw/zinc/57/93/40/457579340.db2.gz AETURZJGKXMZGJ-WMZOPIPTSA-N 0 0 343.358 3.340 10 5 EGBERN CNc1c(C(=O)NCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000361120621 457595517 /nfs/dbraw/zinc/59/55/17/457595517.db2.gz CBDWUUDVPRUPNT-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425616638 457613776 /nfs/dbraw/zinc/61/37/76/457613776.db2.gz IQAIRQKCYNLTLL-SJLPKXTDSA-N 0 0 343.358 3.374 10 5 EGBERN O=C1[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000370324794 457620185 /nfs/dbraw/zinc/62/01/85/457620185.db2.gz KOZDWDHSJODBFZ-CJNGLKHVSA-N 0 0 343.383 3.332 10 5 EGBERN CNc1c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cccc1[N+](=O)[O-] ZINC000361161943 457621400 /nfs/dbraw/zinc/62/14/00/457621400.db2.gz PIAIGAIJNRQZOE-VTXSZYRJSA-N 0 0 329.400 3.287 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000364520735 457631104 /nfs/dbraw/zinc/63/11/04/457631104.db2.gz WRJIGWGLTSILRT-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000374522806 457647425 /nfs/dbraw/zinc/64/74/25/457647425.db2.gz RKTZSZOJUNDQBQ-QGZVFWFLSA-N 0 0 329.331 3.009 10 5 EGBERN CC(C)(NC(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357768919 457682941 /nfs/dbraw/zinc/68/29/41/457682941.db2.gz DGPTYMVWZLBXJX-UHFFFAOYSA-N 0 0 345.321 3.472 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000370631697 457686481 /nfs/dbraw/zinc/68/64/81/457686481.db2.gz RTDWWTVBBWZRSM-CYBMUJFWSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000374848247 457719347 /nfs/dbraw/zinc/71/93/47/457719347.db2.gz VGVOIKOOIVUKNR-CQSZACIVSA-N 0 0 345.359 3.435 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000370901124 457736006 /nfs/dbraw/zinc/73/60/06/457736006.db2.gz VUTPTZYZCNYOKD-CQSZACIVSA-N 0 0 332.381 3.009 10 5 EGBERN CC(C)CC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000443774360 457810440 /nfs/dbraw/zinc/81/04/40/457810440.db2.gz AYIBJNCCUGCXJN-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN COC(=O)c1cc(N(C)[C@H](C)CCSC)cc(C)c1[N+](=O)[O-] ZINC000433432249 457832142 /nfs/dbraw/zinc/83/21/42/457832142.db2.gz FWZTULDIWZLWNY-LLVKDONJSA-N 0 0 326.418 3.268 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426738589 457889841 /nfs/dbraw/zinc/88/98/41/457889841.db2.gz XIQGQINAYBFXQU-CYBMUJFWSA-N 0 0 341.415 3.079 10 5 EGBERN Cc1ccc2ncc(CN3CCc4ncc([N+](=O)[O-])cc4C3)cc2c1 ZINC000411474620 457897065 /nfs/dbraw/zinc/89/70/65/457897065.db2.gz CJHIPKYKLVESAF-UHFFFAOYSA-N 0 0 334.379 3.405 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000444687205 457939676 /nfs/dbraw/zinc/93/96/76/457939676.db2.gz AFDAHVBYHPTDRT-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000427122875 457946406 /nfs/dbraw/zinc/94/64/06/457946406.db2.gz UCVJPZPJGNICOA-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)n1 ZINC000427188769 457955867 /nfs/dbraw/zinc/95/58/67/457955867.db2.gz DSKUBBOLYFXBFN-CYBMUJFWSA-N 0 0 330.388 3.261 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)n1 ZINC000458181916 457958665 /nfs/dbraw/zinc/95/86/65/457958665.db2.gz IDLKMDRRKILPKA-HNNXBMFYSA-N 0 0 334.420 3.242 10 5 EGBERN CNc1c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000434295358 457973304 /nfs/dbraw/zinc/97/33/04/457973304.db2.gz LCDWXMCTYFQGKY-VIFPVBQESA-N 0 0 331.294 3.051 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C2CCOCC2)n1 ZINC000434324603 457977628 /nfs/dbraw/zinc/97/76/28/457977628.db2.gz FORGCCGTFDJEGT-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN O=C(NCc1cccnc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444823858 457984641 /nfs/dbraw/zinc/98/46/41/457984641.db2.gz GYASBYHRWBKBNU-UHFFFAOYSA-N 0 0 329.359 3.006 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)n1 ZINC000427601436 458006568 /nfs/dbraw/zinc/00/65/68/458006568.db2.gz LCBHDDSFAFUAJS-HNNXBMFYSA-N 0 0 342.399 3.405 10 5 EGBERN O=[N+]([O-])c1cnc(NCCCc2ccccn2)c(Br)c1 ZINC000434944599 458068597 /nfs/dbraw/zinc/06/85/97/458068597.db2.gz XFOMPCXMLKPTPC-UHFFFAOYSA-N 0 0 337.177 3.192 10 5 EGBERN CC[C@@H](NC(=O)NC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000458511781 458076088 /nfs/dbraw/zinc/07/60/88/458076088.db2.gz QAQBHFCVNGSTIX-AVVWSFFYSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccccc2F)CC1 ZINC000375914692 458122347 /nfs/dbraw/zinc/12/23/47/458122347.db2.gz STJJSBLUUONPEF-UHFFFAOYSA-N 0 0 343.358 3.086 10 5 EGBERN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000435401755 458137276 /nfs/dbraw/zinc/13/72/76/458137276.db2.gz LQMVUNWKMNXTES-GOEBONIOSA-N 0 0 343.383 3.351 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1cccnc1)C1CC1 ZINC000362501573 458223096 /nfs/dbraw/zinc/22/30/96/458223096.db2.gz GOXRAWCOHHCXQO-UHFFFAOYSA-N 0 0 347.321 3.002 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H](c2ccncn2)C1 ZINC000376401212 458288947 /nfs/dbraw/zinc/28/89/47/458288947.db2.gz OYVPKXIDUJOTIM-AWEZNQCLSA-N 0 0 335.367 3.317 10 5 EGBERN Nc1c(C(=O)N[C@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000372702861 458322720 /nfs/dbraw/zinc/32/27/20/458322720.db2.gz RETVQEUEAUAFRT-KRWDZBQOSA-N 0 0 337.335 3.289 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CCOC4(CCCCC4)C3)[nH]c2c1 ZINC000447691586 458329985 /nfs/dbraw/zinc/32/99/85/458329985.db2.gz TUXZOPDDOVONNQ-GFCCVEGCSA-N 0 0 330.388 3.187 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000430193590 458418260 /nfs/dbraw/zinc/41/82/60/458418260.db2.gz GRJPUHMAWZQJLC-UHFFFAOYSA-N 0 0 338.367 3.360 10 5 EGBERN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2Cc3ccc(Cl)cc3C2)c1 ZINC000459750898 458468613 /nfs/dbraw/zinc/46/86/13/458468613.db2.gz AREDTYMEPLQPHO-INIZCTEOSA-N 0 0 348.786 3.004 10 5 EGBERN CC[C@H]1[C@@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460315798 458510079 /nfs/dbraw/zinc/51/00/79/458510079.db2.gz YPWGGEUQIVRMCD-WFASDCNBSA-N 0 0 329.404 3.498 10 5 EGBERN Cc1ncoc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431174309 458539642 /nfs/dbraw/zinc/53/96/42/458539642.db2.gz AXYKNAGARDMLJP-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000377818773 458540245 /nfs/dbraw/zinc/54/02/45/458540245.db2.gz MDKAGFWXTHUVTF-UHFFFAOYSA-N 0 0 348.399 3.026 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCO[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000431247202 458546390 /nfs/dbraw/zinc/54/63/90/458546390.db2.gz DRZXXXCOLMGNKS-WPRPVWTQSA-N 0 0 343.177 3.029 10 5 EGBERN O=C(Nc1ccc(CO)c(Cl)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000431396768 458566777 /nfs/dbraw/zinc/56/67/77/458566777.db2.gz QCCDWKVSQKYWBP-UHFFFAOYSA-N 0 0 345.742 3.474 10 5 EGBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000373715335 458581694 /nfs/dbraw/zinc/58/16/94/458581694.db2.gz WTUFBTKQBXAXOG-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCC(OC)CC1 ZINC000462605450 458634239 /nfs/dbraw/zinc/63/42/39/458634239.db2.gz IDQSTUPCYJUPJN-UPTPFMHGSA-N 0 0 348.443 3.485 10 5 EGBERN CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000462635290 458637577 /nfs/dbraw/zinc/63/75/77/458637577.db2.gz CLCWBUXBYDSWEG-AWEZNQCLSA-N 0 0 336.388 3.225 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@@H]4CCOC4)C3)ccc2c1 ZINC000439081685 458650579 /nfs/dbraw/zinc/65/05/79/458650579.db2.gz XNCGTXHRDNHFFC-LSDHHAIUSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470955504 458668734 /nfs/dbraw/zinc/66/87/34/458668734.db2.gz LWMQWSWZOXYRKE-MNOVXSKESA-N 0 0 345.321 3.114 10 5 EGBERN Cc1cn(Cc2cccc(C(=O)Nc3ccccc3)c2)nc1[N+](=O)[O-] ZINC000439195907 458669215 /nfs/dbraw/zinc/66/92/15/458669215.db2.gz DDWJWAQDKXWKFQ-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CCOC(=O)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463062052 458674144 /nfs/dbraw/zinc/67/41/44/458674144.db2.gz UHRJJJJNIFNSSY-HNNXBMFYSA-N 0 0 343.383 3.132 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439264512 458678758 /nfs/dbraw/zinc/67/87/58/458678758.db2.gz YJRJKIFZASQTOH-CHWSQXEVSA-N 0 0 344.367 3.230 10 5 EGBERN CCc1ncc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC000456487442 458693184 /nfs/dbraw/zinc/69/31/84/458693184.db2.gz PKYJWGDUSPICKM-UHFFFAOYSA-N 0 0 343.261 3.094 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000471586500 458700963 /nfs/dbraw/zinc/70/09/63/458700963.db2.gz CTTFROMWJQCQMM-MWLCHTKSSA-N 0 0 331.294 3.077 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(O)c(OC)c1 ZINC000439914376 458764908 /nfs/dbraw/zinc/76/49/08/458764908.db2.gz NNVRHZKMSPCWKJ-UHFFFAOYSA-N 0 0 347.327 3.352 10 5 EGBERN COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000457061380 458852486 /nfs/dbraw/zinc/85/24/86/458852486.db2.gz PJFZBIYNDRGCNY-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000457068805 458854922 /nfs/dbraw/zinc/85/49/22/458854922.db2.gz WYQNFYOZNZSKKU-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000518513469 458874206 /nfs/dbraw/zinc/87/42/06/458874206.db2.gz XMYCXEVTWXCGEL-YRGRVCCFSA-N 0 0 327.384 3.171 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000518928149 458900047 /nfs/dbraw/zinc/90/00/47/458900047.db2.gz WWLBVYMPNXMDAY-GFCCVEGCSA-N 0 0 333.775 3.216 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000519152059 458919899 /nfs/dbraw/zinc/91/98/99/458919899.db2.gz VMRYWDSRESFKLO-PRHODGIISA-N 0 0 332.809 3.024 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2cccnc2C1 ZINC000556086292 458927951 /nfs/dbraw/zinc/92/79/51/458927951.db2.gz BYMUYNBHUBMQAD-LLVKDONJSA-N 0 0 337.339 3.117 10 5 EGBERN COc1c(C(=O)NCCCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000475781408 458965750 /nfs/dbraw/zinc/96/57/50/458965750.db2.gz OBOPDGDZXATYEY-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCCN(C(=O)C1CCC1)C1CC1 ZINC000577078029 458976676 /nfs/dbraw/zinc/97/66/76/458976676.db2.gz WQUMOQODPSCFGY-UHFFFAOYSA-N 0 0 347.415 3.197 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000577076065 458976926 /nfs/dbraw/zinc/97/69/26/458976926.db2.gz MGPRJHWPSUZTKT-AWEZNQCLSA-N 0 0 340.445 3.272 10 5 EGBERN COc1cc(NCc2ccccc2NC(C)=O)c([N+](=O)[O-])cc1F ZINC000531823945 458984980 /nfs/dbraw/zinc/98/49/80/458984980.db2.gz RBZIEMSJLMDPHD-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN CCCN(C(=O)c1cnn2c1C[C@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000519782583 459004188 /nfs/dbraw/zinc/00/41/88/459004188.db2.gz VOGJZRKOTMIYNJ-CYBMUJFWSA-N 0 0 342.399 3.430 10 5 EGBERN COc1c(C(=O)NCc2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000476703175 459014033 /nfs/dbraw/zinc/01/40/33/459014033.db2.gz WPTLSTBUFXGIBO-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN CC(C)CN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520155133 459034202 /nfs/dbraw/zinc/03/42/02/459034202.db2.gz RPQVHZKWPGKCCR-UHFFFAOYSA-N 0 0 332.447 3.246 10 5 EGBERN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532138883 459035392 /nfs/dbraw/zinc/03/53/92/459035392.db2.gz BLBJSYCTEAFUAN-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN CO[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000477348035 459041273 /nfs/dbraw/zinc/04/12/73/459041273.db2.gz HBXZPFVIZOOZSR-GFCCVEGCSA-N 0 0 328.796 3.348 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H](OC(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000590037914 459070107 /nfs/dbraw/zinc/07/01/07/459070107.db2.gz OSQXZGCYNJLGQF-NSHDSACASA-N 0 0 342.342 3.103 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594520831 459076926 /nfs/dbraw/zinc/07/69/26/459076926.db2.gz PYIRADVZLSKWCE-KBPBESRZSA-N 0 0 332.322 3.493 10 5 EGBERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397482 459080215 /nfs/dbraw/zinc/08/02/15/459080215.db2.gz UFDGQVTYBORALF-QLJPJBMISA-N 0 0 329.331 3.182 10 5 EGBERN C[C@H](C(=O)N1CCO[C@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000567297445 459081284 /nfs/dbraw/zinc/08/12/84/459081284.db2.gz IUXUPAWBNCLPEE-LRDDRELGSA-N 0 0 346.408 3.360 10 5 EGBERN CCN(Cc1ccc(C)cc1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557541199 459083078 /nfs/dbraw/zinc/08/30/78/459083078.db2.gz JNCLPVAXXCCXET-UHFFFAOYSA-N 0 0 343.383 3.420 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@H](c2ccccc2F)C1 ZINC000594549120 459086493 /nfs/dbraw/zinc/08/64/93/459086493.db2.gz XTHLPISSJOLVRO-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN CC(C)Oc1nc(N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000594574645 459095058 /nfs/dbraw/zinc/09/50/58/459095058.db2.gz GXNLUNCLCBSYRY-OAHLLOKOSA-N 0 0 342.399 3.241 10 5 EGBERN COc1ccc(C2CCN(c3c(OC)cccc3[N+](=O)[O-])CC2)nc1 ZINC000594586206 459099444 /nfs/dbraw/zinc/09/94/44/459099444.db2.gz MYOQPOVPKTYKOX-UHFFFAOYSA-N 0 0 343.383 3.391 10 5 EGBERN O=c1[nH]cnc2cc(N[C@H](C3CC3)[C@@H]3CCCCO3)c([N+](=O)[O-])cc21 ZINC000594590685 459100540 /nfs/dbraw/zinc/10/05/40/459100540.db2.gz MUTAGPBUMVLPDS-JKSUJKDBSA-N 0 0 344.371 3.003 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594592088 459101741 /nfs/dbraw/zinc/10/17/41/459101741.db2.gz YTTDXQFAJQEHTB-SJORKVTESA-N 0 0 327.384 3.325 10 5 EGBERN COc1cc(NC[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000594596321 459103349 /nfs/dbraw/zinc/10/33/49/459103349.db2.gz RHRVNYNGWSDDPD-SECBINFHSA-N 0 0 328.340 3.132 10 5 EGBERN CCOc1cc(OCCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000478735141 459106337 /nfs/dbraw/zinc/10/63/37/459106337.db2.gz XUUPYLZWJFVHBB-UHFFFAOYSA-N 0 0 325.361 3.494 10 5 EGBERN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1Cc2c[nH]nc2C1 ZINC000590391799 459122010 /nfs/dbraw/zinc/12/20/10/459122010.db2.gz HOSVPOZXCRDMHX-UHFFFAOYSA-N 0 0 349.350 3.218 10 5 EGBERN Cc1cc(C(=O)N2CC(F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000590443416 459131325 /nfs/dbraw/zinc/13/13/25/459131325.db2.gz LLYPOPPTXVHXAQ-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000578071713 459141985 /nfs/dbraw/zinc/14/19/85/459141985.db2.gz HTKQCQHPTSRZKN-ZALBZXLWSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590557238 459148044 /nfs/dbraw/zinc/14/80/44/459148044.db2.gz UPHIWXYDJSCYNI-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590556931 459148117 /nfs/dbraw/zinc/14/81/17/459148117.db2.gz PJHBUCPSPRWTTH-ZDUSSCGKSA-N 0 0 330.365 3.203 10 5 EGBERN CCCC[C@H](C)N(CCCC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777259 459154916 /nfs/dbraw/zinc/15/49/16/459154916.db2.gz XYNKNXJQYSLMSE-ZDUSSCGKSA-N 0 0 343.449 3.359 10 5 EGBERN CO[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000594885186 459166724 /nfs/dbraw/zinc/16/67/24/459166724.db2.gz AKMKWXWBVVPHDN-NSHDSACASA-N 0 0 332.198 3.149 10 5 EGBERN COC[C@@H](CSc1ccc(Br)cc1[N+](=O)[O-])OC ZINC000594890126 459168063 /nfs/dbraw/zinc/16/80/63/459168063.db2.gz MHGQSDWPKQHJCB-VIFPVBQESA-N 0 0 336.207 3.111 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc(OC)ccc1[N+](=O)[O-] ZINC000567848956 459176814 /nfs/dbraw/zinc/17/68/14/459176814.db2.gz GNPDJJNHNPCAAX-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN Nc1cc(N[C@H]2CCCc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000590704337 459189145 /nfs/dbraw/zinc/18/91/45/459189145.db2.gz XPKULVIMRHETTD-INIZCTEOSA-N 0 0 331.347 3.298 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC4(CCC(O)CC4)CC3)c2c1 ZINC000590706485 459190014 /nfs/dbraw/zinc/19/00/14/459190014.db2.gz DSJPMKPBJOCNQG-UHFFFAOYSA-N 0 0 342.399 3.060 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc2c1CCN(C)C2=O ZINC000594979430 459203706 /nfs/dbraw/zinc/20/37/06/459203706.db2.gz KPHMKWDACGXHAM-UHFFFAOYSA-N 0 0 325.368 3.143 10 5 EGBERN O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000590766766 459210310 /nfs/dbraw/zinc/21/03/10/459210310.db2.gz OCJQYIREOQETGK-AWEZNQCLSA-N 0 0 333.294 3.075 10 5 EGBERN CCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000558865176 459217621 /nfs/dbraw/zinc/21/76/21/459217621.db2.gz IUFLQITWINQLIB-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064156 459232882 /nfs/dbraw/zinc/23/28/82/459232882.db2.gz DRTLRSUVRBDWBN-KMUNFCNLSA-N 0 0 327.388 3.204 10 5 EGBERN CC(C)c1ccc(C(=O)N2Cc3ccc(N)cc3C2)cc1[N+](=O)[O-] ZINC000595225046 459258459 /nfs/dbraw/zinc/25/84/59/459258459.db2.gz ULTDKVJGQPFNBO-UHFFFAOYSA-N 0 0 325.368 3.456 10 5 EGBERN Cc1noc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000595293333 459269126 /nfs/dbraw/zinc/26/91/26/459269126.db2.gz KWTUSBYLSNZDMH-ZDUSSCGKSA-N 0 0 337.763 3.118 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595449587 459305819 /nfs/dbraw/zinc/30/58/19/459305819.db2.gz ZTPKSIYCMYKCBL-INIZCTEOSA-N 0 0 339.395 3.466 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(CC(F)F)c1ccc(F)cc1 ZINC000568708903 459330617 /nfs/dbraw/zinc/33/06/17/459330617.db2.gz JHDHZWMTWJVSHN-UHFFFAOYSA-N 0 0 325.246 3.041 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000582304682 459342802 /nfs/dbraw/zinc/34/28/02/459342802.db2.gz XWJBYONOUMGFNQ-UHFFFAOYSA-N 0 0 347.371 3.136 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551171 459344307 /nfs/dbraw/zinc/34/43/07/459344307.db2.gz WCJJDNXMQUMRRP-KRWDZBQOSA-N 0 0 338.379 3.288 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000591513806 459394305 /nfs/dbraw/zinc/39/43/05/459394305.db2.gz DNJAJHCSEZXBRN-ZWNOBZJWSA-N 0 0 346.305 3.003 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)Oc2ccccc2)c1 ZINC000541114154 459428897 /nfs/dbraw/zinc/42/88/97/459428897.db2.gz HCPCXVCAOZEOEY-GFCCVEGCSA-N 0 0 330.340 3.261 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000595758850 459428998 /nfs/dbraw/zinc/42/89/98/459428998.db2.gz JCPDHSZRQMPPHN-KRWDZBQOSA-N 0 0 346.358 3.316 10 5 EGBERN COc1ccc(CN2CCOC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595760416 459429811 /nfs/dbraw/zinc/42/98/11/459429811.db2.gz RCDFJWGDXFANJQ-QGZVFWFLSA-N 0 0 346.358 3.316 10 5 EGBERN CC[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595786059 459440318 /nfs/dbraw/zinc/44/03/18/459440318.db2.gz ZAJGPSYDNOMOCD-GXTWGEPZSA-N 0 0 327.331 3.390 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000561590856 459467121 /nfs/dbraw/zinc/46/71/21/459467121.db2.gz KVBZBKAQJCSEAM-HOTGVXAUSA-N 0 0 338.411 3.179 10 5 EGBERN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000595892955 459477875 /nfs/dbraw/zinc/47/78/75/459477875.db2.gz VMBYEQSHVHUBIB-RISCZKNCSA-N 0 0 348.321 3.015 10 5 EGBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C(F)(F)F)O1 ZINC000591918721 459483384 /nfs/dbraw/zinc/48/33/84/459483384.db2.gz WTSXBYVRBYQJTJ-TVQRCGJNSA-N 0 0 345.321 3.025 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000591933593 459490619 /nfs/dbraw/zinc/49/06/19/459490619.db2.gz JGPQDSJAVQQQNL-CYBMUJFWSA-N 0 0 336.388 3.070 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCc2ccccc2C1 ZINC000541785798 459493321 /nfs/dbraw/zinc/49/33/21/459493321.db2.gz JHMUXZRIAKCQCN-ZDUSSCGKSA-N 0 0 329.331 3.413 10 5 EGBERN CCC[C@H](CC)S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596021465 459497065 /nfs/dbraw/zinc/49/70/65/459497065.db2.gz PRDWQJXYMCWWFN-VIFPVBQESA-N 0 0 335.813 3.151 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1cncn1Cc1ccccc1 ZINC000525833230 459500744 /nfs/dbraw/zinc/50/07/44/459500744.db2.gz NKFJRPUGUBMECF-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000591971616 459501272 /nfs/dbraw/zinc/50/12/72/459501272.db2.gz JXEMZDUXGMNFHY-CHWSQXEVSA-N 0 0 337.383 3.426 10 5 EGBERN O=[N+]([O-])c1cc(NCC[C@@H](O)C(F)(F)F)ccc1C(F)(F)F ZINC000596125188 459530061 /nfs/dbraw/zinc/53/00/61/459530061.db2.gz MAPPHQHLNUQURG-SECBINFHSA-N 0 0 332.200 3.339 10 5 EGBERN Cc1cnc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130729 459530104 /nfs/dbraw/zinc/53/01/04/459530104.db2.gz KWDVLUDTFWIQOR-WKILWMFISA-N 0 0 345.399 3.197 10 5 EGBERN COc1ccccc1C1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000592145666 459535765 /nfs/dbraw/zinc/53/57/65/459535765.db2.gz WISSXHQYZXFBBE-UHFFFAOYSA-N 0 0 338.367 3.259 10 5 EGBERN COc1cc(N[C@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1C ZINC000596143211 459536076 /nfs/dbraw/zinc/53/60/76/459536076.db2.gz ZTJWKCJGVKBZRJ-LLVKDONJSA-N 0 0 332.404 3.305 10 5 EGBERN CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596155940 459540825 /nfs/dbraw/zinc/54/08/25/459540825.db2.gz MFKYWASTYBDBOU-NXEZZACHSA-N 0 0 342.779 3.039 10 5 EGBERN COc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596183670 459551376 /nfs/dbraw/zinc/55/13/76/459551376.db2.gz YPHBBCWQHWVJGX-ZUZCIYMTSA-N 0 0 342.779 3.007 10 5 EGBERN COc1cc(NCc2nnc(C(C)C)n2C)c(Cl)cc1[N+](=O)[O-] ZINC000596182392 459551680 /nfs/dbraw/zinc/55/16/80/459551680.db2.gz BYASPWWBCRKINJ-UHFFFAOYSA-N 0 0 339.783 3.121 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000596185753 459552992 /nfs/dbraw/zinc/55/29/92/459552992.db2.gz PJGNPGFZYVYIFW-SKDRFNHKSA-N 0 0 342.779 3.262 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000542436378 459557046 /nfs/dbraw/zinc/55/70/46/459557046.db2.gz KZOMVERCOYCCGL-CQSZACIVSA-N 0 0 342.399 3.379 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)Cc2ccc(C)cn2)ccc1[N+](=O)[O-] ZINC000596207426 459560471 /nfs/dbraw/zinc/56/04/71/459560471.db2.gz QKURUHFETROTJF-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2C[C@H](C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596272323 459581244 /nfs/dbraw/zinc/58/12/44/459581244.db2.gz XPPMMUJAJVGSLT-AEJSXWLSSA-N 0 0 342.779 3.260 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCC[C@@H](CO)C1 ZINC000596278045 459581988 /nfs/dbraw/zinc/58/19/88/459581988.db2.gz LOGVHGUHXXFXIG-NXEZZACHSA-N 0 0 329.194 3.320 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000596298416 459587830 /nfs/dbraw/zinc/58/78/30/459587830.db2.gz WVLICPCWVWGSAS-SNVBAGLBSA-N 0 0 349.774 3.473 10 5 EGBERN COc1cc(CCCO)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000596302965 459589061 /nfs/dbraw/zinc/58/90/61/459589061.db2.gz DVKHYVKJCIYJCE-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN CO[C@H](CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596319034 459595114 /nfs/dbraw/zinc/59/51/14/459595114.db2.gz SAWBHRUWQDVDTK-QMTHXVAHSA-N 0 0 348.321 3.385 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596327697 459597300 /nfs/dbraw/zinc/59/73/00/459597300.db2.gz KPUXQOMYNYOXIF-NSHDSACASA-N 0 0 333.363 3.160 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596359277 459607570 /nfs/dbraw/zinc/60/75/70/459607570.db2.gz FXPLHWOTLBAYTK-ZENOOKHLSA-N 0 0 345.399 3.121 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596369078 459611259 /nfs/dbraw/zinc/61/12/59/459611259.db2.gz NCNDDXJASLKTFK-XNJGSVPQSA-N 0 0 345.399 3.121 10 5 EGBERN O=c1[nH]c(N2CCC(C3CCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000596429585 459634855 /nfs/dbraw/zinc/63/48/55/459634855.db2.gz YOJOSJZVIDKEAI-UHFFFAOYSA-N 0 0 328.372 3.260 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000573177615 459635755 /nfs/dbraw/zinc/63/57/55/459635755.db2.gz PISXOPAUHRXUNW-BZNIZROVSA-N 0 0 344.415 3.316 10 5 EGBERN COCC1(C2CCC2)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596439822 459636788 /nfs/dbraw/zinc/63/67/88/459636788.db2.gz GRWIPCUMXMEDGO-UHFFFAOYSA-N 0 0 331.416 3.122 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)C1=O ZINC000596445542 459638719 /nfs/dbraw/zinc/63/87/19/459638719.db2.gz AFWYUEJNWATYEI-CHWSQXEVSA-N 0 0 325.368 3.318 10 5 EGBERN O=[N+]([O-])c1cc(N2CCC[C@](O)(C3CC3)C2)ccc1C(F)(F)F ZINC000596462914 459644587 /nfs/dbraw/zinc/64/45/87/459644587.db2.gz MKKCPLOKAOTTLI-CQSZACIVSA-N 0 0 330.306 3.355 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@](O)(C2CC2)C1 ZINC000596461352 459644737 /nfs/dbraw/zinc/64/47/37/459644737.db2.gz FYEWMAHTEFCARY-CQSZACIVSA-N 0 0 330.306 3.355 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543337376 459646639 /nfs/dbraw/zinc/64/66/39/459646639.db2.gz HQJGHWRNRPXLOI-MRXNPFEDSA-N 0 0 339.395 3.331 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)[C@H]1O ZINC000596469314 459647013 /nfs/dbraw/zinc/64/70/13/459647013.db2.gz KKLVTKIRBUIJNV-FVGIMDHTSA-N 0 0 345.374 3.249 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000596476425 459650680 /nfs/dbraw/zinc/65/06/80/459650680.db2.gz IJYQXQWIRACXBW-TZMCWYRMSA-N 0 0 336.388 3.070 10 5 EGBERN COc1cc(Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])cc1OC ZINC000596484790 459652960 /nfs/dbraw/zinc/65/29/60/459652960.db2.gz AXTKQGVRIILKJO-UHFFFAOYSA-N 0 0 330.340 3.428 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@H]2Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596486611 459652991 /nfs/dbraw/zinc/65/29/91/459652991.db2.gz AVZDNXGFXWAAGE-WCQYABFASA-N 0 0 335.795 3.200 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H](O)C23CCC3)c(Br)c1 ZINC000596513292 459661837 /nfs/dbraw/zinc/66/18/37/459661837.db2.gz UKIKTNRCUODILI-NWDGAFQWSA-N 0 0 327.178 3.073 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)c(C)c1Cl ZINC000592679176 459663298 /nfs/dbraw/zinc/66/32/98/459663298.db2.gz KKYCNNSCBAZKDW-UHFFFAOYSA-N 0 0 336.779 3.399 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000592677062 459663421 /nfs/dbraw/zinc/66/34/21/459663421.db2.gz QRZNFAGAIXKNLS-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC000596518249 459663894 /nfs/dbraw/zinc/66/38/94/459663894.db2.gz TTZLEVVGVDVRSX-MRXNPFEDSA-N 0 0 326.400 3.322 10 5 EGBERN Cc1ccccc1C(F)(F)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596527834 459667269 /nfs/dbraw/zinc/66/72/69/459667269.db2.gz XASKBYVTPMPZDB-UHFFFAOYSA-N 0 0 337.326 3.182 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000592696341 459669032 /nfs/dbraw/zinc/66/90/32/459669032.db2.gz WHHBZZHLQOWBOO-LSDHHAIUSA-N 0 0 348.447 3.165 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000596554770 459675420 /nfs/dbraw/zinc/67/54/20/459675420.db2.gz LYBYHPLDEQURJD-BXKDBHETSA-N 0 0 346.305 3.344 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](CC(F)(F)F)C2)c2ncccc12 ZINC000596558672 459675756 /nfs/dbraw/zinc/67/57/56/459675756.db2.gz SXQATVRPKVUYFB-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1SC ZINC000592734876 459679739 /nfs/dbraw/zinc/67/97/39/459679739.db2.gz LBTSGCRHZUQLAV-GMTAPVOTSA-N 0 0 336.413 3.244 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572324 459681598 /nfs/dbraw/zinc/68/15/98/459681598.db2.gz LFIOWTLNEFXQBA-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CCc1[nH]nc(-c2nc(CCc3ccccc3Cl)no2)c1[N+](=O)[O-] ZINC000596614586 459699309 /nfs/dbraw/zinc/69/93/09/459699309.db2.gz USPKAFXLFKMQFE-UHFFFAOYSA-N 0 0 347.762 3.369 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000596620738 459701349 /nfs/dbraw/zinc/70/13/49/459701349.db2.gz PYPITDCSMYMPHW-CVEARBPZSA-N 0 0 326.352 3.272 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592875556 459709464 /nfs/dbraw/zinc/70/94/64/459709464.db2.gz RTXXGCFULQMCJF-PHIMTYICSA-N 0 0 326.780 3.324 10 5 EGBERN CCOC(=O)Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1C ZINC000596647650 459713800 /nfs/dbraw/zinc/71/38/00/459713800.db2.gz TYWHIDQBZNLAJF-UHFFFAOYSA-N 0 0 343.379 3.211 10 5 EGBERN CC1=CC[C@](C)(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000596652040 459715026 /nfs/dbraw/zinc/71/50/26/459715026.db2.gz XDZYVJOOLRRLJJ-IBGZPJMESA-N 0 0 343.427 3.380 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000592903578 459717312 /nfs/dbraw/zinc/71/73/12/459717312.db2.gz WBMKHQBAYHYXGK-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592943487 459722190 /nfs/dbraw/zinc/72/21/90/459722190.db2.gz ZKYLRHUOUGHGFQ-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN Cc1cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971995 459726654 /nfs/dbraw/zinc/72/66/54/459726654.db2.gz FYPTZXFDCLWQES-BETUJISGSA-N 0 0 335.404 3.276 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2nc(C)cs2)c1 ZINC000593020836 459742460 /nfs/dbraw/zinc/74/24/60/459742460.db2.gz XLLQGKAPRFDQLF-UHFFFAOYSA-N 0 0 349.412 3.171 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCOc3ccccc32)c1 ZINC000593023128 459743056 /nfs/dbraw/zinc/74/30/56/459743056.db2.gz PLXNMTKRLVAKMX-UHFFFAOYSA-N 0 0 342.351 3.171 10 5 EGBERN COCC1(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000584527175 459761618 /nfs/dbraw/zinc/76/16/18/459761618.db2.gz XUMZOEKSWCDJIF-UHFFFAOYSA-N 0 0 347.415 3.059 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000584564031 459767288 /nfs/dbraw/zinc/76/72/88/459767288.db2.gz JLPSOAHRNMPQJP-UHFFFAOYSA-N 0 0 326.299 3.355 10 5 EGBERN COc1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000596829260 459772898 /nfs/dbraw/zinc/77/28/98/459772898.db2.gz QZQVXSWPGKBFPY-UHFFFAOYSA-N 0 0 331.319 3.406 10 5 EGBERN CCOC(=O)[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000584603128 459774679 /nfs/dbraw/zinc/77/46/79/459774679.db2.gz KBKMGKRISRHOCA-KCPJHIHWSA-N 0 0 335.356 3.120 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593124624 459780511 /nfs/dbraw/zinc/78/05/11/459780511.db2.gz UIMHAWXQBWMJIV-ZDUSSCGKSA-N 0 0 326.368 3.286 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000593142716 459786736 /nfs/dbraw/zinc/78/67/36/459786736.db2.gz XODDAOJQNUUCSX-UONOGXRCSA-N 0 0 346.383 3.455 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CC1(F)F ZINC000596890035 459788364 /nfs/dbraw/zinc/78/83/64/459788364.db2.gz IKSQOBJKHVGOIE-ZDUSSCGKSA-N 0 0 329.303 3.160 10 5 EGBERN C[C@H](O)[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899566 459790225 /nfs/dbraw/zinc/79/02/25/459790225.db2.gz MDWRURSORXEXRT-SMDDNHRTSA-N 0 0 335.404 3.269 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1(c2ccccc2Cl)CCC1 ZINC000593175350 459797369 /nfs/dbraw/zinc/79/73/69/459797369.db2.gz KZQDOEHIMYVNBR-UHFFFAOYSA-N 0 0 346.774 3.266 10 5 EGBERN CC(C)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000593184521 459800280 /nfs/dbraw/zinc/80/02/80/459800280.db2.gz NEVBQDJPPAXJAC-UHFFFAOYSA-N 0 0 331.347 3.361 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593219779 459811595 /nfs/dbraw/zinc/81/15/95/459811595.db2.gz YHRLZWTXVWIAIW-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN CC[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000574449486 459819851 /nfs/dbraw/zinc/81/98/51/459819851.db2.gz UQBHCBNHCMMTKT-GFCCVEGCSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1ccnc(N2CCc3nccc(Br)c3C2)c1[N+](=O)[O-] ZINC000585092331 459822170 /nfs/dbraw/zinc/82/21/70/459822170.db2.gz PPMXQKCLGNZXFS-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593284184 459829697 /nfs/dbraw/zinc/82/96/97/459829697.db2.gz SUOWXQRHHHAPKP-CMPLNLGQSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1c(-c2noc(Cc3cn4c(n3)CCCC4)n2)cccc1[N+](=O)[O-] ZINC000593301990 459835212 /nfs/dbraw/zinc/83/52/12/459835212.db2.gz PBUHPMDHDOKBTQ-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CSCCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104663 459837509 /nfs/dbraw/zinc/83/75/09/459837509.db2.gz UIKIIBWKNWFBST-UHFFFAOYSA-N 0 0 332.813 3.095 10 5 EGBERN C[C@H](C(=O)N1C[C@@H](C)OCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000593318147 459839620 /nfs/dbraw/zinc/83/96/20/459839620.db2.gz ABHSOHXPZNVYIK-NEPJUHHUSA-N 0 0 336.363 3.007 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598298209 459852361 /nfs/dbraw/zinc/85/23/61/459852361.db2.gz ZIPIIITXVDRCBR-HOTGVXAUSA-N 0 0 346.427 3.380 10 5 EGBERN CCc1cccc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000593340876 459853658 /nfs/dbraw/zinc/85/36/58/459853658.db2.gz SGTOPHPWHYOUOB-UHFFFAOYSA-N 0 0 344.367 3.104 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCc2ccc(F)cc21 ZINC000593354865 459860142 /nfs/dbraw/zinc/86/01/42/459860142.db2.gz VKKZDWDJBSCSAC-CYBMUJFWSA-N 0 0 342.370 3.465 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593359214 459861866 /nfs/dbraw/zinc/86/18/66/459861866.db2.gz LVJUNGRKDKLLSR-SNVBAGLBSA-N 0 0 342.417 3.157 10 5 EGBERN C[C@]1(C2CC2)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000597178707 459863844 /nfs/dbraw/zinc/86/38/44/459863844.db2.gz FFTTYIZTUHHTOY-MRXNPFEDSA-N 0 0 342.342 3.197 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](O)C(F)(F)C3)o2)c1 ZINC000597187545 459867999 /nfs/dbraw/zinc/86/79/99/459867999.db2.gz NTBOVROHLMYGPC-OAHLLOKOSA-N 0 0 338.310 3.057 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000598339583 459871646 /nfs/dbraw/zinc/87/16/46/459871646.db2.gz AEIGCXCAYWEWDM-BXKDBHETSA-N 0 0 344.383 3.483 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598350324 459874888 /nfs/dbraw/zinc/87/48/88/459874888.db2.gz IDMDEOYJJKLWMP-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000598351928 459876350 /nfs/dbraw/zinc/87/63/50/459876350.db2.gz OPIMUFNUGIOTGG-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000598354100 459877176 /nfs/dbraw/zinc/87/71/76/459877176.db2.gz VSLRRXAWMGNFKO-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000598381032 459884334 /nfs/dbraw/zinc/88/43/34/459884334.db2.gz IXLWANLXNLWVJC-KRWDZBQOSA-N 0 0 343.383 3.073 10 5 EGBERN C[C@H](C(=O)N1CCC(c2ccon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598399753 459889654 /nfs/dbraw/zinc/88/96/54/459889654.db2.gz SSMVFOFAQPULCL-LBPRGKRZSA-N 0 0 329.356 3.093 10 5 EGBERN COc1cc(OCC(=O)N2CCC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000598398971 459889862 /nfs/dbraw/zinc/88/98/62/459889862.db2.gz HFYDEXKRIMZBET-AWEZNQCLSA-N 0 0 348.399 3.021 10 5 EGBERN Cc1cccc(C(C)(C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587553696 459893241 /nfs/dbraw/zinc/89/32/41/459893241.db2.gz ZISDJXDNWCTTJP-UHFFFAOYSA-N 0 0 329.400 3.367 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@](C)(C(F)F)C1 ZINC000597252160 459895997 /nfs/dbraw/zinc/89/59/97/459895997.db2.gz RMMNRPQUPJQECR-LJEUOOAZSA-N 0 0 326.343 3.354 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598453330 459902513 /nfs/dbraw/zinc/90/25/13/459902513.db2.gz GGDQSUSPSUJWFD-SNVBAGLBSA-N 0 0 346.305 3.159 10 5 EGBERN CCOc1cccc([C@@H]2C[C@@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588012672 459902956 /nfs/dbraw/zinc/90/29/56/459902956.db2.gz YQPIIIUKSZHVCD-RDJZCZTQSA-N 0 0 343.383 3.036 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598464303 459904084 /nfs/dbraw/zinc/90/40/84/459904084.db2.gz HHRBRKNEZGWPOG-UHFFFAOYSA-N 0 0 336.285 3.213 10 5 EGBERN CC[C@@H](OCCNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccccc1 ZINC000593489688 459905096 /nfs/dbraw/zinc/90/50/96/459905096.db2.gz WOVUDGLRWWKHSF-MRXNPFEDSA-N 0 0 343.383 3.274 10 5 EGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068422 459908479 /nfs/dbraw/zinc/90/84/79/459908479.db2.gz NLHZXGYOGZRQCL-ZANVPECISA-N 0 0 341.289 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000598506118 459924941 /nfs/dbraw/zinc/92/49/41/459924941.db2.gz DNWYDRZLASHNBP-ZYHUDNBSSA-N 0 0 346.305 3.085 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000597349355 459925268 /nfs/dbraw/zinc/92/52/68/459925268.db2.gz ONTFEIHRRMSIKL-CQSZACIVSA-N 0 0 346.339 3.164 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC2(F)F)cc1SC ZINC000588180093 459926210 /nfs/dbraw/zinc/92/62/10/459926210.db2.gz HPNWKKXBBMQJGJ-LBPRGKRZSA-N 0 0 346.355 3.243 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598511462 459926981 /nfs/dbraw/zinc/92/69/81/459926981.db2.gz OUOZBQULCLNCAO-NSHDSACASA-N 0 0 346.305 3.005 10 5 EGBERN Cc1cc(NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575127016 459932122 /nfs/dbraw/zinc/93/21/22/459932122.db2.gz WLJYSTZAGOHONU-CHWSQXEVSA-N 0 0 335.404 3.276 10 5 EGBERN C[C@@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000598542139 459934156 /nfs/dbraw/zinc/93/41/56/459934156.db2.gz JFFDFZXTJBXSQW-ZMYBRWDISA-N 0 0 344.411 3.118 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2CC1(c1ccccc1)C2 ZINC000598554641 459936186 /nfs/dbraw/zinc/93/61/86/459936186.db2.gz KJHKOFBQPCIQKP-UHFFFAOYSA-N 0 0 326.327 3.495 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598567129 459940094 /nfs/dbraw/zinc/94/00/94/459940094.db2.gz ASUNTVOUQQWCHV-XLKFXECMSA-N 0 0 348.733 3.133 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2CC2CC2)cc1 ZINC000597406833 459942609 /nfs/dbraw/zinc/94/26/09/459942609.db2.gz MVXGAKWOBDZAAK-HUUCEWRRSA-N 0 0 339.399 3.110 10 5 EGBERN CCOC(=O)CCC1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000613885630 459960099 /nfs/dbraw/zinc/96/00/99/459960099.db2.gz VXPNJOHYBXDWLO-UHFFFAOYSA-N 0 0 336.388 3.163 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000598621422 459967186 /nfs/dbraw/zinc/96/71/86/459967186.db2.gz VYMHNNVTIAVUSV-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN CO[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000597477350 459968203 /nfs/dbraw/zinc/96/82/03/459968203.db2.gz IUDBEKAPUOMSMK-OAHLLOKOSA-N 0 0 340.807 3.112 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000588840106 459989664 /nfs/dbraw/zinc/98/96/64/459989664.db2.gz GTQCFUQOERGTSI-CKEIUWERSA-N 0 0 336.436 3.030 10 5 EGBERN CC(C)C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000588937021 460008803 /nfs/dbraw/zinc/00/88/03/460008803.db2.gz NWBVNBDRUMNCHT-NSHDSACASA-N 0 0 326.343 3.310 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000618449180 460014019 /nfs/dbraw/zinc/01/40/19/460014019.db2.gz NSBAGXLORUMNHW-CYBMUJFWSA-N 0 0 348.790 3.230 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000575841891 460015811 /nfs/dbraw/zinc/01/58/11/460015811.db2.gz NONNRAUIRPRZDF-STQMWFEESA-N 0 0 344.802 3.216 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(N(C)C)ccn1 ZINC000618469904 460019864 /nfs/dbraw/zinc/01/98/64/460019864.db2.gz NOSAWOTXQKIQOO-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1Cc2ccccc21 ZINC000589063408 460023227 /nfs/dbraw/zinc/02/32/27/460023227.db2.gz ZIYUWVWRHJOJJR-KRWDZBQOSA-N 0 0 335.363 3.075 10 5 EGBERN Cc1ccnc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC000598766400 460026652 /nfs/dbraw/zinc/02/66/52/460026652.db2.gz XLAZPWPALHNXIZ-UHFFFAOYSA-N 0 0 327.340 3.193 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000597694224 460030606 /nfs/dbraw/zinc/03/06/06/460030606.db2.gz KFRXRIFPDOUGAZ-CYBMUJFWSA-N 0 0 341.367 3.018 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598786067 460035125 /nfs/dbraw/zinc/03/51/25/460035125.db2.gz ZIMHILXSAHFBBP-CHWSQXEVSA-N 0 0 326.343 3.325 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598804102 460041557 /nfs/dbraw/zinc/04/15/57/460041557.db2.gz SADQVBYHUBXVKO-QJPTWQEYSA-N 0 0 332.356 3.131 10 5 EGBERN CC[C@H](NC(=O)c1ccn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000593986943 460041542 /nfs/dbraw/zinc/04/15/42/460041542.db2.gz ARJLKCNZSIQREM-AWEZNQCLSA-N 0 0 330.388 3.427 10 5 EGBERN Cc1nc(NC(=O)CCCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000593989438 460042597 /nfs/dbraw/zinc/04/25/97/460042597.db2.gz QNFSYCRBJBZSFL-UHFFFAOYSA-N 0 0 337.376 3.139 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)CCOC2 ZINC000598806231 460042813 /nfs/dbraw/zinc/04/28/13/460042813.db2.gz ULIBMSADLLIVFB-GFCCVEGCSA-N 0 0 338.363 3.259 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000598822855 460051423 /nfs/dbraw/zinc/05/14/23/460051423.db2.gz JMIBXPDHMHRFQW-ZFWWWQNUSA-N 0 0 341.367 3.439 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C(F)(F)F)CCOCC1 ZINC000598841215 460061910 /nfs/dbraw/zinc/06/19/10/460061910.db2.gz DLIWIYYUYGSMDL-UHFFFAOYSA-N 0 0 346.305 3.455 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCOC1CCCC1 ZINC000610131026 460067908 /nfs/dbraw/zinc/06/79/08/460067908.db2.gz QJHYIQLREVSFQE-UHFFFAOYSA-N 0 0 340.351 3.282 10 5 EGBERN COCC1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000598855726 460068908 /nfs/dbraw/zinc/06/89/08/460068908.db2.gz MOCHPZALQNEHDM-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598882195 460082742 /nfs/dbraw/zinc/08/27/42/460082742.db2.gz WMRLNRDVUOBOQD-VXGBXAGGSA-N 0 0 328.290 3.463 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598882401 460082948 /nfs/dbraw/zinc/08/29/48/460082948.db2.gz MAMMXVIKQAHVBX-CQSZACIVSA-N 0 0 346.427 3.433 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598881873 460083131 /nfs/dbraw/zinc/08/31/31/460083131.db2.gz HLQIAEBFOKLEBP-AWEZNQCLSA-N 0 0 346.427 3.433 10 5 EGBERN CC(C)CCc1nnc(NC(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000597871429 460088795 /nfs/dbraw/zinc/08/87/95/460088795.db2.gz XHZFFLWLRHCGCV-UHFFFAOYSA-N 0 0 326.403 3.349 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000610236652 460092064 /nfs/dbraw/zinc/09/20/64/460092064.db2.gz LSXWSIGFZKMWEY-XUJLQICISA-N 0 0 349.431 3.133 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccc(F)cc3C2)c1 ZINC000589499752 460095067 /nfs/dbraw/zinc/09/50/67/460095067.db2.gz AYSDSAIDKWWIFE-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000598938124 460095675 /nfs/dbraw/zinc/09/56/75/460095675.db2.gz VKRKIAPMCAJNJA-UHFFFAOYSA-N 0 0 348.353 3.345 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCc2cccnc21 ZINC000598950368 460099600 /nfs/dbraw/zinc/09/96/00/460099600.db2.gz KGMSDZMMGAJVNV-ZDUSSCGKSA-N 0 0 345.786 3.032 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597918658 460111271 /nfs/dbraw/zinc/11/12/71/460111271.db2.gz GHODSWMCBOIBOK-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000597951629 460125008 /nfs/dbraw/zinc/12/50/08/460125008.db2.gz KSGFDRCAJQNNFJ-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000589725851 460131569 /nfs/dbraw/zinc/13/15/69/460131569.db2.gz ZULIWYCMDAYEEX-ZDUSSCGKSA-N 0 0 343.427 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594160199 460132828 /nfs/dbraw/zinc/13/28/28/460132828.db2.gz DGLLZKLIIMHAPM-GWCFXTLKSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1ccnc(N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)c1 ZINC000599057625 460144109 /nfs/dbraw/zinc/14/41/09/460144109.db2.gz QNTGOPYWWOCNIN-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000598015111 460145067 /nfs/dbraw/zinc/14/50/67/460145067.db2.gz RJNWIDWAPUHDHM-SNVBAGLBSA-N 0 0 335.385 3.330 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594205333 460150343 /nfs/dbraw/zinc/15/03/43/460150343.db2.gz AKFMCHNXKLZYDY-INIZCTEOSA-N 0 0 346.427 3.480 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594206908 460151718 /nfs/dbraw/zinc/15/17/18/460151718.db2.gz SPMIYBMJZMQCQZ-HNNXBMFYSA-N 0 0 332.400 3.379 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c(O)cccc1F ZINC000610456137 460155884 /nfs/dbraw/zinc/15/58/84/460155884.db2.gz TVGQVTNFJIGZBY-UHFFFAOYSA-N 0 0 333.319 3.270 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]([C@H](CO)C2CC2)C2CC2)ccc2cnccc21 ZINC000599084230 460156489 /nfs/dbraw/zinc/15/64/89/460156489.db2.gz QBKXNCSLQXRCSV-WBVHZDCISA-N 0 0 327.384 3.352 10 5 EGBERN COc1cccc(NC[C@@H](n2cccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC000599117098 460164614 /nfs/dbraw/zinc/16/46/14/460164614.db2.gz LCMFVCPIYILXHU-LLVKDONJSA-N 0 0 330.266 3.015 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CCCCC2)c1C ZINC000610501521 460167564 /nfs/dbraw/zinc/16/75/64/460167564.db2.gz MPROIZASBPCUBS-UHFFFAOYSA-N 0 0 326.418 3.070 10 5 EGBERN COc1cc(NC[C@H]2CCCN2CC(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000599134641 460170222 /nfs/dbraw/zinc/17/02/22/460170222.db2.gz ZSRLMVQBVWRFOV-SECBINFHSA-N 0 0 349.765 3.398 10 5 EGBERN CCCc1cncc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000599135375 460171439 /nfs/dbraw/zinc/17/14/39/460171439.db2.gz KOEWOZHXPYYSAW-UHFFFAOYSA-N 0 0 342.398 3.200 10 5 EGBERN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccncc1 ZINC000610517062 460173424 /nfs/dbraw/zinc/17/34/24/460173424.db2.gz VBSMVZQEQCOHML-LLVKDONJSA-N 0 0 326.356 3.090 10 5 EGBERN Cc1c(Br)c(N[C@]23C[C@H]2COC3(C)C)ncc1[N+](=O)[O-] ZINC000599142733 460174063 /nfs/dbraw/zinc/17/40/63/460174063.db2.gz KDJCOKCUUHMNAW-ISVAXAHUSA-N 0 0 342.193 3.040 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610526794 460176880 /nfs/dbraw/zinc/17/68/80/460176880.db2.gz WWSSHIOUOYDXNM-LLVKDONJSA-N 0 0 333.775 3.106 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C3(C)CCC(F)(F)CC3)n2)n1C ZINC000599153637 460179825 /nfs/dbraw/zinc/17/98/25/460179825.db2.gz GQIULFLDKZKNRQ-UHFFFAOYSA-N 0 0 341.318 3.154 10 5 EGBERN Cc1c(Br)c(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000599163345 460182246 /nfs/dbraw/zinc/18/22/46/460182246.db2.gz GLHBCMNJESQAIC-WJOUQXRDSA-N 0 0 344.209 3.285 10 5 EGBERN Cn1ccnc1[C@@H]1N(c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000576670788 460189716 /nfs/dbraw/zinc/18/97/16/460189716.db2.gz SDCYROZNKFAWNS-INIZCTEOSA-N 0 0 337.383 3.464 10 5 EGBERN COC(=O)c1cc(N2Cc3cccc(OC)c3C2)cc(C)c1[N+](=O)[O-] ZINC000599179798 460190166 /nfs/dbraw/zinc/19/01/66/460190166.db2.gz IFKLKGYIQUESSU-UHFFFAOYSA-N 0 0 342.351 3.219 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(Cc3ccccc3Br)C2)cn1 ZINC000599184837 460192445 /nfs/dbraw/zinc/19/24/45/460192445.db2.gz RPVOIVNVNFUBAG-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599194315 460195041 /nfs/dbraw/zinc/19/50/41/460195041.db2.gz JBOZHOYODOXEIW-CYBMUJFWSA-N 0 0 348.378 3.261 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594395777 460204559 /nfs/dbraw/zinc/20/45/59/460204559.db2.gz HTFMNHKKSZOVHT-NVXWUHKLSA-N 0 0 343.383 3.154 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594399720 460205555 /nfs/dbraw/zinc/20/55/55/460205555.db2.gz BOQAIGPSKTVXMC-LLVKDONJSA-N 0 0 328.796 3.429 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594401159 460207329 /nfs/dbraw/zinc/20/73/29/460207329.db2.gz LTEGUNDKWDDMQO-LLVKDONJSA-N 0 0 333.388 3.257 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000598215538 460207776 /nfs/dbraw/zinc/20/77/76/460207776.db2.gz MMLHSDOLGQORAC-LLVKDONJSA-N 0 0 338.232 3.389 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CC1(F)F ZINC000598218118 460208843 /nfs/dbraw/zinc/20/88/43/460208843.db2.gz YNHVGJXBXONZIO-ZDUSSCGKSA-N 0 0 330.356 3.482 10 5 EGBERN CC(C)(C(=O)NCC[C@@]1(C)CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598217559 460208898 /nfs/dbraw/zinc/20/88/98/460208898.db2.gz BLGRADVPCGMYGR-HNNXBMFYSA-N 0 0 326.343 3.424 10 5 EGBERN CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCCO1 ZINC000594411444 460210615 /nfs/dbraw/zinc/21/06/15/460210615.db2.gz RKVVYLZQPDJRTN-SWLSCSKDSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](CCF)C1 ZINC000598222892 460211524 /nfs/dbraw/zinc/21/15/24/460211524.db2.gz DNXMBLJMPHXUIH-JTQLQIEISA-N 0 0 330.306 3.014 10 5 EGBERN O=[N+]([O-])c1ccccc1CNCc1ccnn1CCc1ccccc1 ZINC000610678047 460213021 /nfs/dbraw/zinc/21/30/21/460213021.db2.gz PPCAALUEXGOXIN-UHFFFAOYSA-N 0 0 336.395 3.324 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC(CC(F)(F)F)C1 ZINC000610744809 460230205 /nfs/dbraw/zinc/23/02/05/460230205.db2.gz IUVSVADWUXNNQY-UHFFFAOYSA-N 0 0 327.262 3.101 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000610865612 460251122 /nfs/dbraw/zinc/25/11/22/460251122.db2.gz BVOPWZVHDRYHPG-JTQLQIEISA-N 0 0 346.314 3.012 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CCCC1 ZINC000599500001 460263431 /nfs/dbraw/zinc/26/34/31/460263431.db2.gz FZILBNYPUVBPIY-LLVKDONJSA-N 0 0 346.362 3.228 10 5 EGBERN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc2ccccc2c2cccnc12 ZINC000619085097 460264748 /nfs/dbraw/zinc/26/47/48/460264748.db2.gz AIFMTNXWJGQEKB-MSOLQXFVSA-N 0 0 332.403 3.421 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)c(Cl)c1 ZINC000599508972 460265020 /nfs/dbraw/zinc/26/50/20/460265020.db2.gz CHSCJUJLWVOGQG-UHFFFAOYSA-N 0 0 344.820 3.203 10 5 EGBERN COC(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000610968526 460267708 /nfs/dbraw/zinc/26/77/08/460267708.db2.gz YFACUPXOSSTSMR-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN O=C(c1ccc2c(n1)CCCC2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000611007954 460277518 /nfs/dbraw/zinc/27/75/18/460277518.db2.gz CPXUMHLABPAWLS-UHFFFAOYSA-N 0 0 337.379 3.462 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCc3ncccc3C2)cc1[N+](=O)[O-] ZINC000611009621 460277646 /nfs/dbraw/zinc/27/76/46/460277646.db2.gz QMEZABUKWFODCC-UHFFFAOYSA-N 0 0 339.395 3.486 10 5 EGBERN CNc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000611085665 460287266 /nfs/dbraw/zinc/28/72/66/460287266.db2.gz NORHTUILVFRKTH-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN CC[C@H](NC(=O)c1cc(C)c(C(=O)OC)o1)c1cccc([N+](=O)[O-])c1 ZINC000599634716 460294004 /nfs/dbraw/zinc/29/40/04/460294004.db2.gz KQRBLANJOYDQPV-ZDUSSCGKSA-N 0 0 346.339 3.164 10 5 EGBERN O=c1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642902 460295767 /nfs/dbraw/zinc/29/57/67/460295767.db2.gz XLENFVLWZFDANH-AWEZNQCLSA-N 0 0 334.763 3.081 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(CO)CCCC(C)(C)C1 ZINC000599695145 460314052 /nfs/dbraw/zinc/31/40/52/460314052.db2.gz JEOMVAASEDYKNT-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN COc1ccc(CNC(=O)Nc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000611246770 460316271 /nfs/dbraw/zinc/31/62/71/460316271.db2.gz NDCKATFSGHIARM-UHFFFAOYSA-N 0 0 348.384 3.042 10 5 EGBERN C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000599738809 460323974 /nfs/dbraw/zinc/32/39/74/460323974.db2.gz CLFWDDIZXIKQQN-SCZZXKLOSA-N 0 0 345.168 3.177 10 5 EGBERN O=C(c1cc2c(cc1O)CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611277759 460326613 /nfs/dbraw/zinc/32/66/13/460326613.db2.gz IRZIYZSSCTVFCN-UHFFFAOYSA-N 0 0 338.363 3.382 10 5 EGBERN O=[N+]([O-])c1ccsc1N1CCC(c2nnc3ccccn32)CC1 ZINC000611289950 460330052 /nfs/dbraw/zinc/33/00/52/460330052.db2.gz FGYQFWPGTASKHG-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN Nc1c(NC(=O)N2CCCC(F)(F)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599801465 460336685 /nfs/dbraw/zinc/33/66/85/460336685.db2.gz SYXJPCRXOHEMNR-UHFFFAOYSA-N 0 0 348.737 3.484 10 5 EGBERN COCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599832423 460343679 /nfs/dbraw/zinc/34/36/79/460343679.db2.gz ZEUANJKILRYQNB-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CCCN(CC(C)(C)O)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831498 460343812 /nfs/dbraw/zinc/34/38/12/460343812.db2.gz NFQVTULCVAPFRH-UHFFFAOYSA-N 0 0 346.387 3.158 10 5 EGBERN CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832649 460343904 /nfs/dbraw/zinc/34/39/04/460343904.db2.gz HEWIWIZKHOGRHX-LLVKDONJSA-N 0 0 344.371 3.222 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835001 460344594 /nfs/dbraw/zinc/34/45/94/460344594.db2.gz RLBIQHKEBMQNQC-LBPRGKRZSA-N 0 0 344.371 3.081 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCCOC1 ZINC000599833574 460344830 /nfs/dbraw/zinc/34/48/30/460344830.db2.gz UMQCJENSSKPLLE-NWDGAFQWSA-N 0 0 344.371 3.080 10 5 EGBERN CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)C1 ZINC000599836215 460345349 /nfs/dbraw/zinc/34/53/49/460345349.db2.gz QBPFTVAKYVZFNG-NWDGAFQWSA-N 0 0 344.371 3.174 10 5 EGBERN C[C@@H]1CSC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836531 460345370 /nfs/dbraw/zinc/34/53/70/460345370.db2.gz SVVKBEBKLPZENJ-RNCFNFMXSA-N 0 0 332.385 3.016 10 5 EGBERN CC(C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000619422043 460351335 /nfs/dbraw/zinc/35/13/35/460351335.db2.gz UTMDNBHFCUHZLD-UHFFFAOYSA-N 0 0 337.120 3.131 10 5 EGBERN CCO[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000599987850 460366638 /nfs/dbraw/zinc/36/66/38/460366638.db2.gz SFUHBTACXIJOOC-NVXWUHKLSA-N 0 0 334.416 3.362 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000600042676 460372623 /nfs/dbraw/zinc/37/26/23/460372623.db2.gz CNRYNYSLGKNHED-CQSZACIVSA-N 0 0 345.399 3.013 10 5 EGBERN CSc1ccc(C(=O)N[C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000611485200 460374598 /nfs/dbraw/zinc/37/45/98/460374598.db2.gz IUZIAKOBLRASQK-SECBINFHSA-N 0 0 335.360 3.342 10 5 EGBERN O=C(c1cc2cccc(F)c2o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484910 460374637 /nfs/dbraw/zinc/37/46/37/460374637.db2.gz FDQPMRFBLNXRDI-UHFFFAOYSA-N 0 0 341.298 3.074 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611505229 460380329 /nfs/dbraw/zinc/38/03/29/460380329.db2.gz ASELSORBWIIZOG-TZMCWYRMSA-N 0 0 335.379 3.015 10 5 EGBERN Cc1cccc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619549807 460380612 /nfs/dbraw/zinc/38/06/12/460380612.db2.gz XYWNIUOIYJGBCK-CABCVRRESA-N 0 0 331.416 3.496 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc1SC ZINC000611506988 460381614 /nfs/dbraw/zinc/38/16/14/460381614.db2.gz VKQVYOOUUGCFNX-ONGXEEELSA-N 0 0 342.392 3.145 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611513707 460384397 /nfs/dbraw/zinc/38/43/97/460384397.db2.gz GIPMGRQQSFCNOG-GXFFZTMASA-N 0 0 343.786 3.180 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000611597157 460412438 /nfs/dbraw/zinc/41/24/38/460412438.db2.gz FXHDCUBWPHGXGW-LLVKDONJSA-N 0 0 343.330 3.447 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000611615888 460413997 /nfs/dbraw/zinc/41/39/97/460413997.db2.gz FMZVOGCEMGZUDS-OAHLLOKOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000611616685 460415331 /nfs/dbraw/zinc/41/53/31/460415331.db2.gz DPJMBOOLAYZEBS-INIZCTEOSA-N 0 0 349.431 3.161 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000600170377 460419509 /nfs/dbraw/zinc/41/95/09/460419509.db2.gz SBLHEYCAZLXEGL-UPJWGTAASA-N 0 0 348.399 3.168 10 5 EGBERN CSc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611710815 460436189 /nfs/dbraw/zinc/43/61/89/460436189.db2.gz XXPHBZJMZSBNAP-UHFFFAOYSA-N 0 0 326.381 3.294 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000619805926 460446759 /nfs/dbraw/zinc/44/67/59/460446759.db2.gz WWRFRTAQGJHGDH-FZMZJTMJSA-N 0 0 333.367 3.058 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000600268224 460461106 /nfs/dbraw/zinc/46/11/06/460461106.db2.gz ROMOYOUUBYJZGK-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600268278 460461472 /nfs/dbraw/zinc/46/14/72/460461472.db2.gz SOAZGVHERHPGPQ-UHFFFAOYSA-N 0 0 345.399 3.035 10 5 EGBERN COc1cc(C(=O)N[C@@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000600300553 460466645 /nfs/dbraw/zinc/46/66/45/460466645.db2.gz DXJRKMVAFMMQJM-QGZVFWFLSA-N 0 0 341.367 3.270 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000600364270 460483465 /nfs/dbraw/zinc/48/34/65/460483465.db2.gz FRCLYXMJPFYZJW-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000600387835 460487781 /nfs/dbraw/zinc/48/77/81/460487781.db2.gz KFVFACPEFIJXCE-UHFFFAOYSA-N 0 0 344.358 3.470 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000616161985 460488203 /nfs/dbraw/zinc/48/82/03/460488203.db2.gz NUTIPJGUSAGFLJ-UHFFFAOYSA-N 0 0 327.340 3.047 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000600406176 460489964 /nfs/dbraw/zinc/48/99/64/460489964.db2.gz BWKWJKCYVNLZBZ-HNNXBMFYSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1nn(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000600508154 460506816 /nfs/dbraw/zinc/50/68/16/460506816.db2.gz ISIHZAYFNJZAHQ-MNOVXSKESA-N 0 0 333.310 3.346 10 5 EGBERN CC1(C)C(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000600523869 460511775 /nfs/dbraw/zinc/51/17/75/460511775.db2.gz WTXHQJSMEMCFFV-UHFFFAOYSA-N 0 0 328.372 3.105 10 5 EGBERN Cc1csc(CC2(O)CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000601194353 460747307 /nfs/dbraw/zinc/74/73/07/460747307.db2.gz HIMPFMOIDIZDPL-UHFFFAOYSA-N 0 0 347.440 3.242 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601320712 460787958 /nfs/dbraw/zinc/78/79/58/460787958.db2.gz JCIYYHZCACEOKG-BRWVUGGUSA-N 0 0 344.411 3.090 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601343056 460791359 /nfs/dbraw/zinc/79/13/59/460791359.db2.gz JRMIFZHBVZDGAE-ZWKOTPCHSA-N 0 0 344.411 3.149 10 5 EGBERN O=C(NCCc1ccc(O)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601340097 460791503 /nfs/dbraw/zinc/79/15/03/460791503.db2.gz LMLSKHANUGMSAO-UHFFFAOYSA-N 0 0 340.379 3.081 10 5 EGBERN COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nc1 ZINC000613022473 460806362 /nfs/dbraw/zinc/80/63/62/460806362.db2.gz IKZKPRHIEYWUGO-UHFFFAOYSA-N 0 0 333.319 3.054 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccco1 ZINC000601481903 460819767 /nfs/dbraw/zinc/81/97/67/460819767.db2.gz LSLOVPUWFLXOMX-GFCCVEGCSA-N 0 0 342.398 3.021 10 5 EGBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C2CC2)O1 ZINC000601539605 460827398 /nfs/dbraw/zinc/82/73/98/460827398.db2.gz CMSOTLMHLXHTDP-CXAGYDPISA-N 0 0 344.411 3.042 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)O1 ZINC000601540020 460827673 /nfs/dbraw/zinc/82/76/73/460827673.db2.gz QXFDRQFAPYOLEX-JRKPZEMJSA-N 0 0 346.305 3.043 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NCC1([C@@H]2CCCCO2)CCC1 ZINC000601554542 460831180 /nfs/dbraw/zinc/83/11/80/460831180.db2.gz FTSYRGXFWQUANZ-INIZCTEOSA-N 0 0 347.415 3.133 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000601561780 460833193 /nfs/dbraw/zinc/83/31/93/460833193.db2.gz ZTWQUPPNEHIJKF-UHFFFAOYSA-N 0 0 347.321 3.230 10 5 EGBERN CCn1cc([C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601619266 460848273 /nfs/dbraw/zinc/84/82/73/460848273.db2.gz BYWQCDZNRMPKRZ-ZDUSSCGKSA-N 0 0 342.399 3.110 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000601622703 460849461 /nfs/dbraw/zinc/84/94/61/460849461.db2.gz XROPRMTXYQNENA-CQSZACIVSA-N 0 0 343.358 3.435 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC000601631963 460852607 /nfs/dbraw/zinc/85/26/07/460852607.db2.gz JMCOVPBOKDMYLX-HOTGVXAUSA-N 0 0 344.411 3.090 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000601669236 460864063 /nfs/dbraw/zinc/86/40/63/460864063.db2.gz BBXGOJNMPDYWJK-SJORKVTESA-N 0 0 346.358 3.222 10 5 EGBERN CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 ZINC000601698568 460874720 /nfs/dbraw/zinc/87/47/20/460874720.db2.gz IRVWUTADOMKMSO-MRXNPFEDSA-N 0 0 330.340 3.176 10 5 EGBERN CC1(C)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000601701051 460875672 /nfs/dbraw/zinc/87/56/72/460875672.db2.gz UWRJTENBIRJMPN-INIZCTEOSA-N 0 0 332.331 3.479 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000601703656 460876383 /nfs/dbraw/zinc/87/63/83/460876383.db2.gz WTVHOJAEBUWAMG-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN CCOc1cc(C(=O)N[C@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000601705005 460877671 /nfs/dbraw/zinc/87/76/71/460877671.db2.gz QOEYAXMGBHMEAB-HNNXBMFYSA-N 0 0 334.372 3.065 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCF)CC1 ZINC000601746495 460889279 /nfs/dbraw/zinc/88/92/79/460889279.db2.gz AMSHKOAQGCNDKH-UHFFFAOYSA-N 0 0 346.305 3.408 10 5 EGBERN CO[C@H](CSCCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000601918339 460943099 /nfs/dbraw/zinc/94/30/99/460943099.db2.gz VSJKHJHHEXIPGB-CQSZACIVSA-N 0 0 327.450 3.428 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1ccc([N+](=O)[O-])cn1 ZINC000518686351 468123151 /nfs/dbraw/zinc/12/31/51/468123151.db2.gz YECMIJUTQMHOSF-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000177206097 533750830 /nfs/dbraw/zinc/75/08/30/533750830.db2.gz PRMODFGOFYVOQG-XJKSGUPXSA-N 0 0 344.367 3.225 10 5 EGBERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000189817083 534569558 /nfs/dbraw/zinc/56/95/58/534569558.db2.gz RKOSELRFNMNZSG-AWEZNQCLSA-N 0 0 346.412 3.135 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377514 534726142 /nfs/dbraw/zinc/72/61/42/534726142.db2.gz HNJKEWMYSFSBMZ-LLVKDONJSA-N 0 0 339.351 3.145 10 5 EGBERN CCCC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161179419 528846182 /nfs/dbraw/zinc/84/61/82/528846182.db2.gz FXGAYFNNMGIPPP-CYBMUJFWSA-N 0 0 336.388 3.225 10 5 EGBERN CCOC(=O)[C@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000359102550 535654961 /nfs/dbraw/zinc/65/49/61/535654961.db2.gz SEIXWNQSYVORAJ-OAHLLOKOSA-N 0 0 343.383 3.365 10 5 EGBERN COc1cc(C)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000357945544 536605264 /nfs/dbraw/zinc/60/52/64/536605264.db2.gz PRGAZSJPJUGEBL-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1ccc(CC(=O)OCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000727883393 574698332 /nfs/dbraw/zinc/69/83/32/574698332.db2.gz MGBTZWIMGUZBRU-UHFFFAOYSA-N 0 0 342.307 3.031 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000729000033 574802212 /nfs/dbraw/zinc/80/22/12/574802212.db2.gz IULQWXAGIFULNW-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCC(=O)c1ccccc1 ZINC000730013850 574903568 /nfs/dbraw/zinc/90/35/68/574903568.db2.gz UYFJQCZYSCKDRK-UHFFFAOYSA-N 0 0 328.324 3.118 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592004070 574954098 /nfs/dbraw/zinc/95/40/98/574954098.db2.gz SCLFHLOBCLZNAW-HRCADAONSA-N 0 0 331.416 3.028 10 5 EGBERN O=C(c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000592000818 574954131 /nfs/dbraw/zinc/95/41/31/574954131.db2.gz CORHLJWNVUZUAI-MELADBBJSA-N 0 0 329.400 3.431 10 5 EGBERN Cc1cnn(CCCCCOC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000733476123 575352361 /nfs/dbraw/zinc/35/23/61/575352361.db2.gz OJACHCQGXVRNPU-UHFFFAOYSA-N 0 0 331.372 3.435 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)cc1Br ZINC000733896026 575411638 /nfs/dbraw/zinc/41/16/38/575411638.db2.gz WYZBNUBCWWYIEZ-UHFFFAOYSA-N 0 0 343.177 3.134 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000734781256 575551373 /nfs/dbraw/zinc/55/13/73/575551373.db2.gz VUONQOKEJNYRMK-LLVKDONJSA-N 0 0 337.763 3.366 10 5 EGBERN C[C@H](COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000735142992 575612155 /nfs/dbraw/zinc/61/21/55/575612155.db2.gz CRYPZTPFUQKLPU-CYBMUJFWSA-N 0 0 343.335 3.133 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000735832068 575720715 /nfs/dbraw/zinc/72/07/15/575720715.db2.gz DGJCQDWJKKSTFB-INIZCTEOSA-N 0 0 345.786 3.490 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cn3ccc(C)cc3n2)c1 ZINC000741751124 576716798 /nfs/dbraw/zinc/71/67/98/576716798.db2.gz RCQBXCZZUCUILP-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN O=[N+]([O-])c1cnccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000742418140 576781953 /nfs/dbraw/zinc/78/19/53/576781953.db2.gz NRGLOQCVIXBATI-UHFFFAOYSA-N 0 0 340.089 3.453 10 5 EGBERN C[C@@H](OC(=O)[C@](C)(O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000745146178 576842185 /nfs/dbraw/zinc/84/21/85/576842185.db2.gz KFIIUJLBVFPRNQ-FZKQIMNGSA-N 0 0 329.352 3.193 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(F)cc1 ZINC000005436621 1291027914 /nfs/dbraw/zinc/02/79/14/1291027914.db2.gz FCLGINCXXKCROC-UHFFFAOYSA-N 0 0 348.330 3.036 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC000088226711 1292748625 /nfs/dbraw/zinc/74/86/25/1292748625.db2.gz NLGXILAUNOKJOZ-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000127217641 1293556269 /nfs/dbraw/zinc/55/62/69/1293556269.db2.gz SXZXQJQXMRZUKT-LBPRGKRZSA-N 0 0 343.339 3.345 10 5 EGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1CCCO1 ZINC000165132287 1294356506 /nfs/dbraw/zinc/35/65/06/1294356506.db2.gz NFYKTJNXQKKYHG-JTQLQIEISA-N 0 0 344.161 3.118 10 5 EGBERN C[C@@]1(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000178294136 1294727441 /nfs/dbraw/zinc/72/74/41/1294727441.db2.gz JRJXZSMRRAXSRX-ZDUSSCGKSA-N 0 0 344.161 3.083 10 5 EGBERN Cc1c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178379315 1294731614 /nfs/dbraw/zinc/73/16/14/1294731614.db2.gz AGJLNRFVHFJOFR-STQMWFEESA-N 0 0 347.371 3.382 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000870015911 1295598769 /nfs/dbraw/zinc/59/87/69/1295598769.db2.gz FGKGGSKTQOCFFQ-QGZVFWFLSA-N 0 0 338.379 3.185 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000870722970 1296044069 /nfs/dbraw/zinc/04/40/69/1296044069.db2.gz RVOQEQOZMQLZSI-AAEUAGOBSA-N 0 0 338.379 3.037 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000870722971 1296044638 /nfs/dbraw/zinc/04/46/38/1296044638.db2.gz RVOQEQOZMQLZSI-DGCLKSJQSA-N 0 0 338.379 3.037 10 5 EGBERN Cc1cc(Cl)ccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830035 1296107543 /nfs/dbraw/zinc/10/75/43/1296107543.db2.gz UNVRWIMNKVITOX-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN CC(C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000871162731 1296251189 /nfs/dbraw/zinc/25/11/89/1296251189.db2.gz HVSJHKGQUSAJST-CYBMUJFWSA-N 0 0 326.780 3.326 10 5 EGBERN CCCOc1ccccc1C(=O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000871239935 1296288260 /nfs/dbraw/zinc/28/82/60/1296288260.db2.gz OSVALIHDABQCLH-UHFFFAOYSA-N 0 0 348.380 3.058 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000871579809 1296438844 /nfs/dbraw/zinc/43/88/44/1296438844.db2.gz MLRICDRLYSTCBO-LBPRGKRZSA-N 0 0 338.791 3.185 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSC[C@H]1OCCc2ccccc21 ZINC000871695563 1296485407 /nfs/dbraw/zinc/48/54/07/1296485407.db2.gz FKZJPSXFXNDIGM-OAHLLOKOSA-N 0 0 333.413 3.147 10 5 EGBERN CCOC1CC2(C[C@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000871763560 1296524191 /nfs/dbraw/zinc/52/41/91/1296524191.db2.gz KNVCKGWVFUOJFB-VROQLPPWSA-N 0 0 339.779 3.327 10 5 EGBERN COc1ccc(CCO)cc1OCc1ccc([N+](=O)[O-])cc1Cl ZINC000871791389 1296535406 /nfs/dbraw/zinc/53/54/06/1296535406.db2.gz BBVPUCZMBSFRQW-UHFFFAOYSA-N 0 0 337.759 3.371 10 5 EGBERN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027698 1296674708 /nfs/dbraw/zinc/67/47/08/1296674708.db2.gz LKUZWNWRCHKDDX-OLZOCXBDSA-N 0 0 345.374 3.089 10 5 EGBERN C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043406 1296692631 /nfs/dbraw/zinc/69/26/31/1296692631.db2.gz HWBQNRGBKATXIG-JSGCOSHPSA-N 0 0 349.406 3.176 10 5 EGBERN C[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067030 1296713782 /nfs/dbraw/zinc/71/37/82/1296713782.db2.gz UBOGCEZVRPIHGV-WDEREUQCSA-N 0 0 341.383 3.298 10 5 EGBERN C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087508 1296726983 /nfs/dbraw/zinc/72/69/83/1296726983.db2.gz IZRFSSOUAGFFFM-BXKDBHETSA-N 0 0 346.284 3.385 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC000872091546 1296730308 /nfs/dbraw/zinc/73/03/08/1296730308.db2.gz JHASIMQAFYBDHQ-IAQYHMDHSA-N 0 0 349.456 3.121 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000872751835 1297090613 /nfs/dbraw/zinc/09/06/13/1297090613.db2.gz AQNKQZGNUCQJCU-LKFCYVNXSA-N 0 0 346.305 3.344 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000873577270 1297602451 /nfs/dbraw/zinc/60/24/51/1297602451.db2.gz ZXGYYWAJAQZMSK-IUODEOHRSA-N 0 0 337.372 3.354 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC000875054257 1298215841 /nfs/dbraw/zinc/21/58/41/1298215841.db2.gz LYXVZAJKJJLPEO-IRXDYDNUSA-N 0 0 334.372 3.083 10 5 EGBERN CC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C(C)(C)C)CC1 ZINC000876341490 1298709109 /nfs/dbraw/zinc/70/91/09/1298709109.db2.gz JDXQVHYOFJCTML-UHFFFAOYSA-N 0 0 347.415 3.089 10 5 EGBERN CCN(CC1CCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879844382 1300761650 /nfs/dbraw/zinc/76/16/50/1300761650.db2.gz XGFKFTNGSDMMPE-UHFFFAOYSA-N 0 0 334.372 3.018 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880875767 1301308543 /nfs/dbraw/zinc/30/85/43/1301308543.db2.gz COCGSAMCNVEWLH-GFCCVEGCSA-N 0 0 346.383 3.066 10 5 EGBERN COc1ccc(C2CC2)cc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000881560739 1301616550 /nfs/dbraw/zinc/61/65/50/1301616550.db2.gz VCTZTTRAVWXOTB-UHFFFAOYSA-N 0 0 340.379 3.340 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2nccs2)C1 ZINC000881708673 1301701453 /nfs/dbraw/zinc/70/14/53/1301701453.db2.gz KFYWOZWIDDPSPR-VHDGCEQUSA-N 0 0 343.408 3.171 10 5 EGBERN CCOc1cccc(N2CCC[C@H](n3ccnc3C)C2)c1[N+](=O)[O-] ZINC000762802597 1301752522 /nfs/dbraw/zinc/75/25/22/1301752522.db2.gz ZBZWDALNZXETFA-AWEZNQCLSA-N 0 0 330.388 3.340 10 5 EGBERN CC(=O)c1c(N[C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000882080293 1301818720 /nfs/dbraw/zinc/81/87/20/1301818720.db2.gz JDWOAPFTCOKMHX-LBPRGKRZSA-N 0 0 344.346 3.022 10 5 EGBERN CC(=O)c1c(N[C@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000882097131 1301827167 /nfs/dbraw/zinc/82/71/67/1301827167.db2.gz UWALSZUEDGBPNL-AWEZNQCLSA-N 0 0 345.399 3.000 10 5 EGBERN CC(=O)c1ccc(OC[C@@H]2CCC3(CCOCC3)CO2)c([N+](=O)[O-])c1 ZINC000882148442 1301849016 /nfs/dbraw/zinc/84/90/16/1301849016.db2.gz WMKUWZOWNATVMF-HNNXBMFYSA-N 0 0 349.383 3.152 10 5 EGBERN COc1cc(C(=O)N2CCc3ccsc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000882186866 1301869079 /nfs/dbraw/zinc/86/90/79/1301869079.db2.gz AUWDLBMZSHIOTM-JTQLQIEISA-N 0 0 332.381 3.424 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000882445966 1301969515 /nfs/dbraw/zinc/96/95/15/1301969515.db2.gz AJZSSFJPYHUYPZ-HZMBPMFUSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H](C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000882549906 1302016076 /nfs/dbraw/zinc/01/60/76/1302016076.db2.gz OZSAKEUJNXCMMV-DGCLKSJQSA-N 0 0 336.363 3.055 10 5 EGBERN CC(=O)c1c(NC[C@@H](n2cccn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000882649222 1302043712 /nfs/dbraw/zinc/04/37/12/1302043712.db2.gz WYRBSKPFRHFQOV-GFCCVEGCSA-N 0 0 342.277 3.209 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000885485446 1303160803 /nfs/dbraw/zinc/16/08/03/1303160803.db2.gz FXISDBADUAHCTH-SPUZQDLCSA-N 0 0 344.411 3.020 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000887183677 1303698803 /nfs/dbraw/zinc/69/88/03/1303698803.db2.gz GQBCFJAACBWXCN-IINYFYTJSA-N 0 0 339.779 3.281 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)C1CCCC1 ZINC000889112588 1304388701 /nfs/dbraw/zinc/38/87/01/1304388701.db2.gz CMGYPDKIHOIYRC-MUSGIIIZSA-N 0 0 332.400 3.056 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(C)c1Cl ZINC000892960087 1305627189 /nfs/dbraw/zinc/62/71/89/1305627189.db2.gz NGVJCSUTLZJOMQ-LLVKDONJSA-N 0 0 336.779 3.189 10 5 EGBERN O=C(CCCCc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000893305510 1305817315 /nfs/dbraw/zinc/81/73/15/1305817315.db2.gz SLZWCOOYIXGLSA-UHFFFAOYSA-N 0 0 343.383 3.451 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(CC3CC3)CC2)cc1OC ZINC000893355574 1305844456 /nfs/dbraw/zinc/84/44/56/1305844456.db2.gz NEYTUWRDZIZYFY-UHFFFAOYSA-N 0 0 348.399 3.312 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCn2c(C)cnc21 ZINC000893525229 1305951132 /nfs/dbraw/zinc/95/11/32/1305951132.db2.gz XBTGSRQQCRFUQJ-ZHUYAKLQSA-N 0 0 327.340 3.191 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893852754 1306098768 /nfs/dbraw/zinc/09/87/68/1306098768.db2.gz CFEMAFPIEQBHDS-HIFRSBDPSA-N 0 0 334.416 3.194 10 5 EGBERN CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893855706 1306100174 /nfs/dbraw/zinc/10/01/74/1306100174.db2.gz HCJDBLWAVMMCHF-AAEUAGOBSA-N 0 0 338.429 3.252 10 5 EGBERN C/C(=C\C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000893924707 1306133027 /nfs/dbraw/zinc/13/30/27/1306133027.db2.gz MQWPGPROWKDQAW-JXPOREOESA-N 0 0 330.384 3.216 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C3CC3)no2)c1 ZINC000894279195 1306319242 /nfs/dbraw/zinc/31/92/42/1306319242.db2.gz ZNRKGYDOWCAFSQ-UHFFFAOYSA-N 0 0 333.369 3.112 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000894292372 1306324462 /nfs/dbraw/zinc/32/44/62/1306324462.db2.gz GFNKUADLGHMQSX-WBMJQRKESA-N 0 0 328.372 3.035 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000894530951 1308939971 /nfs/dbraw/zinc/93/99/71/1308939971.db2.gz QKOMATSOHZDOFD-LBPRGKRZSA-N 0 0 338.791 3.327 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000895445060 1309339497 /nfs/dbraw/zinc/33/94/97/1309339497.db2.gz HNKVLTORFBUELP-GWCFXTLKSA-N 0 0 332.278 3.319 10 5 EGBERN CC(C)c1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848249 1309557130 /nfs/dbraw/zinc/55/71/30/1309557130.db2.gz YYLQWZCTXIZKIR-HNNXBMFYSA-N 0 0 346.349 3.465 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CCC3(CCC3)O2)n1 ZINC000895958666 1309612766 /nfs/dbraw/zinc/61/27/66/1309612766.db2.gz RZNCRLBZXZFRBD-ZDUSSCGKSA-N 0 0 329.356 3.213 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000897544140 1310373893 /nfs/dbraw/zinc/37/38/93/1310373893.db2.gz IJNYLHRZOLTAGP-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(CC3CCOCC3)C2)c1C ZINC000899216578 1310982327 /nfs/dbraw/zinc/98/23/27/1310982327.db2.gz USTRJNVUEBAZPH-UHFFFAOYSA-N 0 0 332.400 3.100 10 5 EGBERN Cc1c(NC(=O)NC2CC3(C2)COC(C)(C)C3)cccc1[N+](=O)[O-] ZINC000929223281 1328541221 /nfs/dbraw/zinc/54/12/21/1328541221.db2.gz TXOVEDKHDWZBTD-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000857599410 1328559846 /nfs/dbraw/zinc/55/98/46/1328559846.db2.gz OFJYAYJOFUYYQO-BRPSZJMVSA-N 0 0 325.162 3.342 10 5 EGBERN Cc1cc(NC(=O)C2CC3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000857605094 1328561800 /nfs/dbraw/zinc/56/18/00/1328561800.db2.gz GNKFYGCZVBSBHR-UHFFFAOYSA-N 0 0 347.321 3.247 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000929374937 1328582397 /nfs/dbraw/zinc/58/23/97/1328582397.db2.gz ADGIYJLEGWGRAQ-QGZVFWFLSA-N 0 0 342.370 3.340 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@H]1CC1(Cl)Cl ZINC000857687164 1328584387 /nfs/dbraw/zinc/58/43/87/1328584387.db2.gz JLEZCTFAZMOFFO-JTQLQIEISA-N 0 0 347.198 3.064 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000929614181 1328647588 /nfs/dbraw/zinc/64/75/88/1328647588.db2.gz BTWHMAMBXCJJFV-UHFFFAOYSA-N 0 0 334.372 3.313 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2ncccn2)C1 ZINC000899532221 1317076573 /nfs/dbraw/zinc/07/65/73/1317076573.db2.gz HZPWKKNDWSSFQG-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN Cc1csc(C[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000899536878 1317078549 /nfs/dbraw/zinc/07/85/49/1317078549.db2.gz JOCZKISXPVZHGA-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN CC(C)(C(=O)NCC1(C2(O)CCC2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000899680811 1317132102 /nfs/dbraw/zinc/13/21/02/1317132102.db2.gz FBZLAQDLLWUORE-UHFFFAOYSA-N 0 0 346.427 3.074 10 5 EGBERN CCc1nc(C)c(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000899909796 1317199598 /nfs/dbraw/zinc/19/95/98/1317199598.db2.gz AEZAHIZYVAVMBW-UHFFFAOYSA-N 0 0 328.372 3.054 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H](C(F)F)C2)c1 ZINC000930126684 1328791428 /nfs/dbraw/zinc/79/14/28/1328791428.db2.gz PIYJTJQSDHHPIE-MRVPVSSYSA-N 0 0 335.148 3.444 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000913306418 1319002838 /nfs/dbraw/zinc/00/28/38/1319002838.db2.gz JUOVTPOXVFAWOH-UHFFFAOYSA-N 0 0 330.296 3.130 10 5 EGBERN CC[C@@H](C)[C@H](OC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385201 1319020357 /nfs/dbraw/zinc/02/03/57/1319020357.db2.gz SUHZQVRRHHIJLG-OQPBUACISA-N 0 0 332.759 3.065 10 5 EGBERN CCc1noc(C)c1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385743 1319021383 /nfs/dbraw/zinc/02/13/83/1319021383.db2.gz CTHNFSLYGRYBBI-UHFFFAOYSA-N 0 0 341.726 3.176 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913719086 1319107133 /nfs/dbraw/zinc/10/71/33/1319107133.db2.gz OMCMEMMZNDKIRR-UMSPYCQHSA-N 0 0 328.821 3.191 10 5 EGBERN CC(=O)C1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000913791880 1319126991 /nfs/dbraw/zinc/12/69/91/1319126991.db2.gz GERLRVNHZZDVBH-UHFFFAOYSA-N 0 0 338.791 3.008 10 5 EGBERN CC(C)OC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1 ZINC000913798827 1319128939 /nfs/dbraw/zinc/12/89/39/1319128939.db2.gz YAXJHGFCEOTMEB-UHFFFAOYSA-N 0 0 344.770 3.465 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000858613092 1328809908 /nfs/dbraw/zinc/80/99/08/1328809908.db2.gz SAJBPMIDGYTUIX-LBPRGKRZSA-N 0 0 328.328 3.200 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000858653041 1328818452 /nfs/dbraw/zinc/81/84/52/1328818452.db2.gz JOXNXRFQXMCPPA-DYLGSBMWSA-N 0 0 334.372 3.010 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[C@H](O)CC1 ZINC000930248100 1328819830 /nfs/dbraw/zinc/81/98/30/1328819830.db2.gz JPUUHGZCILUMEO-AULYBMBSSA-N 0 0 343.221 3.093 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1Cc2ccccc2CO1 ZINC000858659167 1328820742 /nfs/dbraw/zinc/82/07/42/1328820742.db2.gz FRLOWIRVZHLFRP-INIZCTEOSA-N 0 0 326.352 3.351 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](CF)C1 ZINC000914426078 1319324029 /nfs/dbraw/zinc/32/40/29/1319324029.db2.gz XODZRSFSKYBNLI-NSHDSACASA-N 0 0 328.771 3.389 10 5 EGBERN CSCCOC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000916617817 1319686065 /nfs/dbraw/zinc/68/60/65/1319686065.db2.gz JWEIKYGDYZLFSF-LBPRGKRZSA-N 0 0 338.429 3.351 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000858735234 1328846587 /nfs/dbraw/zinc/84/65/87/1328846587.db2.gz FKVUQNBSBVGFMR-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1c(F)c(F)cc(F)c1F ZINC000916869392 1319717189 /nfs/dbraw/zinc/71/71/89/1319717189.db2.gz UCBCCQKCCFFSRU-UHFFFAOYSA-N 0 0 329.205 3.299 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c(F)cc1F ZINC000917830034 1319878452 /nfs/dbraw/zinc/87/84/52/1319878452.db2.gz WQGKGNOFLMKOBU-KSBSHMNSSA-N 0 0 327.205 3.362 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)CN1C(=O)OC(C)(C)C ZINC000858779859 1328858441 /nfs/dbraw/zinc/85/84/41/1328858441.db2.gz DTIYFJNORIDOHQ-ZJUUUORDSA-N 0 0 342.421 3.251 10 5 EGBERN COc1ccc([C@@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)cc1F ZINC000858844645 1328873575 /nfs/dbraw/zinc/87/35/75/1328873575.db2.gz UABQXYYOWIHMMP-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000859298209 1328963657 /nfs/dbraw/zinc/96/36/57/1328963657.db2.gz XZXDZINGQXMMIN-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN COc1ccc(NC(=O)N2CCC(F)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000930768984 1328965106 /nfs/dbraw/zinc/96/51/06/1328965106.db2.gz LIIJHUJVVQKHNM-UHFFFAOYSA-N 0 0 337.351 3.349 10 5 EGBERN CS(=O)(=O)CCCCOc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000920244607 1322153979 /nfs/dbraw/zinc/15/39/79/1322153979.db2.gz LCOULDBFHVOHRN-UHFFFAOYSA-N 0 0 342.200 3.105 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCCOC2CCCCC2)c1 ZINC000920324434 1322162705 /nfs/dbraw/zinc/16/27/05/1322162705.db2.gz HLBZYEVBYJAHGR-UHFFFAOYSA-N 0 0 337.372 3.500 10 5 EGBERN CC[C@@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335512 1322295062 /nfs/dbraw/zinc/29/50/62/1322295062.db2.gz LMXJCXRAJWDBAC-HZPDHXFCSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000921365376 1322302379 /nfs/dbraw/zinc/30/23/79/1322302379.db2.gz LEIAIUQXYJBLTA-PWSUYJOCSA-N 0 0 348.371 3.011 10 5 EGBERN CC1(C)C(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C1(C)C ZINC000859584126 1329026120 /nfs/dbraw/zinc/02/61/20/1329026120.db2.gz KYFDDKPIPOUWDB-UHFFFAOYSA-N 0 0 341.310 3.281 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000922132209 1322462541 /nfs/dbraw/zinc/46/25/41/1322462541.db2.gz UPDVPSGDMNUKLO-SKDRFNHKSA-N 0 0 344.770 3.322 10 5 EGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC000922134576 1322463241 /nfs/dbraw/zinc/46/32/41/1322463241.db2.gz IPTCCJCIVBNFEO-PWSUYJOCSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000922515027 1322546047 /nfs/dbraw/zinc/54/60/47/1322546047.db2.gz KBCUAOHZNJHGPX-RNLVFQAGSA-N 0 0 333.237 3.321 10 5 EGBERN CCO[C@@H](COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859627742 1329039177 /nfs/dbraw/zinc/03/91/77/1329039177.db2.gz UWBXHYUVDOZBBQ-ZDUSSCGKSA-N 0 0 329.299 3.045 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000922965514 1322664339 /nfs/dbraw/zinc/66/43/39/1322664339.db2.gz RVMFSQPQIWDYGR-DGCLKSJQSA-N 0 0 328.372 3.115 10 5 EGBERN CCO[C@@H](COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000859666040 1329049854 /nfs/dbraw/zinc/04/98/54/1329049854.db2.gz YQCOZDBCQQRCSF-AWEZNQCLSA-N 0 0 327.764 3.149 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc([C@]23CCO[C@H]2CCCC3)n1 ZINC000923760747 1322803826 /nfs/dbraw/zinc/80/38/26/1322803826.db2.gz MTKWDBJIJBKOHM-WMLDXEAASA-N 0 0 329.356 3.169 10 5 EGBERN O=C(C[C@@H]1CCC(F)(F)C1)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859677414 1329052366 /nfs/dbraw/zinc/05/23/66/1329052366.db2.gz MKEYTZYWFJOWKJ-VIFPVBQESA-N 0 0 345.273 3.285 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000923959271 1322856199 /nfs/dbraw/zinc/85/61/99/1322856199.db2.gz YGYPKFTVRYFKKO-ABAIWWIYSA-N 0 0 328.372 3.104 10 5 EGBERN C[C@@H](OC(=O)C[C@@H]1CC=CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000924240976 1322949271 /nfs/dbraw/zinc/94/92/71/1322949271.db2.gz XMICMMLKPDJDAD-CHWSQXEVSA-N 0 0 332.356 3.211 10 5 EGBERN C[C@@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C=CCC1 ZINC000924402171 1323008632 /nfs/dbraw/zinc/00/86/32/1323008632.db2.gz SIZFUYWPFPCMEK-OAHLLOKOSA-N 0 0 338.747 3.086 10 5 EGBERN C[C@@]1(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C=CCC1 ZINC000924408367 1323010711 /nfs/dbraw/zinc/01/07/11/1323010711.db2.gz KMMLCWNKWUPJNL-OAHLLOKOSA-N 0 0 338.747 3.086 10 5 EGBERN COc1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1[N+](=O)[O-] ZINC000924841623 1323184353 /nfs/dbraw/zinc/18/43/53/1323184353.db2.gz KQVDNWJHFUBPIA-CYBMUJFWSA-N 0 0 333.775 3.429 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCO[C@@H](CCF)C1 ZINC000859908023 1329109039 /nfs/dbraw/zinc/10/90/39/1329109039.db2.gz BMKBJEMSWDOVER-NSHDSACASA-N 0 0 337.178 3.462 10 5 EGBERN Cc1noc(COC(=O)c2ccsc2C(F)(F)F)c1[N+](=O)[O-] ZINC000859994386 1329123925 /nfs/dbraw/zinc/12/39/25/1329123925.db2.gz QQILZSCXDHMZED-UHFFFAOYSA-N 0 0 336.247 3.329 10 5 EGBERN Cc1ccc(F)c(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC000931468704 1329125835 /nfs/dbraw/zinc/12/58/35/1329125835.db2.gz BZYMKHKJVCVQCS-KRWDZBQOSA-N 0 0 336.338 3.179 10 5 EGBERN C[C@@H]1C[C@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000860089848 1329143419 /nfs/dbraw/zinc/14/34/19/1329143419.db2.gz IOIITXZPXKRNFW-NXEZZACHSA-N 0 0 333.215 3.494 10 5 EGBERN C[C@H](CN(C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098064 1329145924 /nfs/dbraw/zinc/14/59/24/1329145924.db2.gz KUQYAWYRYSHCFA-SNVBAGLBSA-N 0 0 329.422 3.001 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CCOCC1 ZINC000860102299 1329146862 /nfs/dbraw/zinc/14/68/62/1329146862.db2.gz CMALTFVHZZATQW-GFCCVEGCSA-N 0 0 328.368 3.293 10 5 EGBERN C[C@@]1(Br)C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000860117076 1329150963 /nfs/dbraw/zinc/15/09/63/1329150963.db2.gz FOSOXMDAZIDUQN-JOYOIKCWSA-N 0 0 348.580 3.465 10 5 EGBERN CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931624195 1329155260 /nfs/dbraw/zinc/15/52/60/1329155260.db2.gz LHWCCQJEFCTNBP-DGCLKSJQSA-N 0 0 327.768 3.198 10 5 EGBERN C[C@H](OC(=O)[C@@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000860182774 1329169139 /nfs/dbraw/zinc/16/91/39/1329169139.db2.gz SHAHOIQQSDYVEH-KPZWWZAWSA-N 0 0 343.335 3.429 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1Br)C12CC(C1)C2 ZINC000860273125 1329185448 /nfs/dbraw/zinc/18/54/48/1329185448.db2.gz OVVIEEKHKHIABV-UHFFFAOYSA-N 0 0 326.146 3.201 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@H]2CSC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246150 1325095620 /nfs/dbraw/zinc/09/56/20/1325095620.db2.gz CKLFKCBAQPJIKI-MRVWCRGKSA-N 0 0 335.429 3.050 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925248369 1325096283 /nfs/dbraw/zinc/09/62/83/1325096283.db2.gz XEWJRTAOHMPFEU-IAQYHMDHSA-N 0 0 339.342 3.487 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860474111 1329321872 /nfs/dbraw/zinc/32/18/72/1329321872.db2.gz WLCJBCLQDRQEAY-LBPRGKRZSA-N 0 0 344.367 3.210 10 5 EGBERN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO[C@H]1C1CC1 ZINC000860779507 1329354465 /nfs/dbraw/zinc/35/44/65/1329354465.db2.gz DBLKEMKQIJMPAR-PKOBYXMFSA-N 0 0 340.379 3.435 10 5 EGBERN CC(C)(NC(=O)NC[C@@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000927201318 1327916457 /nfs/dbraw/zinc/91/64/57/1327916457.db2.gz IFIHVDSFLRHBMR-QGZVFWFLSA-N 0 0 335.404 3.088 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927292008 1327959392 /nfs/dbraw/zinc/95/93/92/1327959392.db2.gz HNSNZKHSPRUPIW-GFCCVEGCSA-N 0 0 332.253 3.101 10 5 EGBERN Cc1sc(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000927311379 1327967847 /nfs/dbraw/zinc/96/78/47/1327967847.db2.gz DZLFGWDKGNKFBV-DYVFJYSZSA-N 0 0 328.393 3.378 10 5 EGBERN CNc1c(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000927396885 1328005751 /nfs/dbraw/zinc/00/57/51/1328005751.db2.gz DNUJOARSQLDDEG-YOGCLGLASA-N 0 0 335.429 3.041 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927402188 1328008736 /nfs/dbraw/zinc/00/87/36/1328008736.db2.gz LPUMWUAWMRYWEC-VGPLMAKISA-N 0 0 336.413 3.007 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nccc2c1CCCC2 ZINC000927606763 1328075874 /nfs/dbraw/zinc/07/58/74/1328075874.db2.gz HCDISKZGFQHKGR-UHFFFAOYSA-N 0 0 339.395 3.415 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861184555 1329395619 /nfs/dbraw/zinc/39/56/19/1329395619.db2.gz DMNRBXHBVZNFRU-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN CSCC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000861356862 1329411934 /nfs/dbraw/zinc/41/19/34/1329411934.db2.gz PELPNWNMYFSQEK-SNVBAGLBSA-N 0 0 334.401 3.406 10 5 EGBERN CC[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928683432 1328393593 /nfs/dbraw/zinc/39/35/93/1328393593.db2.gz ADAVRGPSDDXRKJ-LBPRGKRZSA-N 0 0 336.388 3.001 10 5 EGBERN CC(C)(/C=C\Cl)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928929847 1328475826 /nfs/dbraw/zinc/47/58/26/1328475826.db2.gz MFFRWCWHPQOZCI-WAYWQWQTSA-N 0 0 334.706 3.457 10 5 EGBERN Cc1csc(C[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000929116426 1328509624 /nfs/dbraw/zinc/50/96/24/1328509624.db2.gz QLYDAILEMNZTBI-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN CCOC1CC(N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861727948 1329438057 /nfs/dbraw/zinc/43/80/57/1329438057.db2.gz ASJNBXQPKRWDOA-UHFFFAOYSA-N 0 0 328.368 3.388 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000861848314 1329445702 /nfs/dbraw/zinc/44/57/02/1329445702.db2.gz RJFSCAWWTAZVHG-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H](CCO)CC1 ZINC000862022624 1329455436 /nfs/dbraw/zinc/45/54/36/1329455436.db2.gz YDPSSEWOUDKIJN-CQSZACIVSA-N 0 0 342.395 3.373 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000862392278 1329482079 /nfs/dbraw/zinc/48/20/79/1329482079.db2.gz IIEWTJBRYUOVCP-NSHDSACASA-N 0 0 326.780 3.103 10 5 EGBERN O=C(N[C@H](c1ccccn1)C1CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000862744329 1329506043 /nfs/dbraw/zinc/50/60/43/1329506043.db2.gz DHZVUTVWFOEDRW-INIZCTEOSA-N 0 0 329.331 3.400 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000862845216 1329514585 /nfs/dbraw/zinc/51/45/85/1329514585.db2.gz GIVKVSYYNXUWFN-YOCVDRLZSA-N 0 0 332.400 3.056 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000863010036 1329522642 /nfs/dbraw/zinc/52/26/42/1329522642.db2.gz ZKPRMMJLQZQWBG-GXFFZTMASA-N 0 0 349.387 3.147 10 5 EGBERN O=C(CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CCCC1 ZINC000863057372 1329526990 /nfs/dbraw/zinc/52/69/90/1329526990.db2.gz FGFZHFAETHJXGV-UHFFFAOYSA-N 0 0 326.352 3.237 10 5 EGBERN CC1(C)C[C@@H](SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CO1 ZINC000863355893 1329549522 /nfs/dbraw/zinc/54/95/22/1329549522.db2.gz PKUTZSBBXBSAPC-SNVBAGLBSA-N 0 0 344.820 3.487 10 5 EGBERN C[C@@H](S[C@H]1COC(C)(C)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000863355417 1329549540 /nfs/dbraw/zinc/54/95/40/1329549540.db2.gz NMYDZIDFAYLUST-MWLCHTKSSA-N 0 0 342.392 3.362 10 5 EGBERN CC(C)c1ccc(-c2nc(Cn3ncc([N+](=O)[O-])n3)cs2)cc1 ZINC000863375521 1329550384 /nfs/dbraw/zinc/55/03/84/1329550384.db2.gz VHDTZXYCJAWUSO-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C(=O)OC(C)(C)C ZINC000863376373 1329550536 /nfs/dbraw/zinc/55/05/36/1329550536.db2.gz YIOIVHSWZCOJHG-QXMHVHEDSA-N 0 0 348.399 3.235 10 5 EGBERN Cc1c(NC(=O)c2cccn(C(C)(C)C)c2=O)cccc1[N+](=O)[O-] ZINC000864443198 1329614998 /nfs/dbraw/zinc/61/49/98/1329614998.db2.gz WLFAIRRUJMXNAS-UHFFFAOYSA-N 0 0 329.356 3.072 10 5 EGBERN CC(=O)CSCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865358905 1329688813 /nfs/dbraw/zinc/68/88/13/1329688813.db2.gz QZFXENMXSUDKHS-UHFFFAOYSA-N 0 0 327.749 3.120 10 5 EGBERN Cc1cccnc1NC(=O)CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000865371972 1329689560 /nfs/dbraw/zinc/68/95/60/1329689560.db2.gz JOVQUUMMGQLLLW-UHFFFAOYSA-N 0 0 347.396 3.049 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@]1(C)CC1(Cl)Cl ZINC000865852787 1329745575 /nfs/dbraw/zinc/74/55/75/1329745575.db2.gz NCNQRPQSOPOCHI-MRVPVSSYSA-N 0 0 347.124 3.343 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@]1(C)CC1(Cl)Cl ZINC000865852788 1329745697 /nfs/dbraw/zinc/74/56/97/1329745697.db2.gz NCNQRPQSOPOCHI-QMMMGPOBSA-N 0 0 347.124 3.343 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N[C@H]2CCN(c3ccc(F)cc3)C2)cc1F ZINC000865881422 1329748621 /nfs/dbraw/zinc/74/86/21/1329748621.db2.gz ZWSQABXZIUPTEU-ZDUSSCGKSA-N 0 0 349.337 3.056 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCSC3)C2)c(C(F)F)c1 ZINC000865899261 1329750128 /nfs/dbraw/zinc/75/01/28/1329750128.db2.gz YGOJYKWUKIWRGT-AWEZNQCLSA-N 0 0 330.356 3.245 10 5 EGBERN Cn1cc(CC2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000865958100 1329754734 /nfs/dbraw/zinc/75/47/34/1329754734.db2.gz XVTGAZXOKDGLJA-UHFFFAOYSA-N 0 0 341.198 3.314 10 5 EGBERN CC(=O)c1cc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051071 1330059359 /nfs/dbraw/zinc/05/93/59/1330059359.db2.gz HNTXARLOBITDHW-MOPGFXCFSA-N 0 0 340.379 3.500 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000866075746 1330062587 /nfs/dbraw/zinc/06/25/87/1330062587.db2.gz CBOAGTRHRWSMLD-DLBZAZTESA-N 0 0 341.367 3.325 10 5 EGBERN CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000866101848 1330065661 /nfs/dbraw/zinc/06/56/61/1330065661.db2.gz UXVAOMPTYGSKDH-JOCQHMNTSA-N 0 0 335.429 3.137 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CCC3)[C@@H]3CCOC3)c21 ZINC000866141693 1330070045 /nfs/dbraw/zinc/07/00/45/1330070045.db2.gz MHSMRGBIBHBRNQ-MLGOLLRUSA-N 0 0 328.372 3.155 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157493 1330071652 /nfs/dbraw/zinc/07/16/52/1330071652.db2.gz WXEGHQCLMBBVII-CYBMUJFWSA-N 0 0 328.347 3.118 10 5 EGBERN O=[N+]([O-])c1ccc(NCCSCCC(F)(F)F)c2nonc21 ZINC000866184402 1330074786 /nfs/dbraw/zinc/07/47/86/1330074786.db2.gz CLDZXYOFMJZFGP-UHFFFAOYSA-N 0 0 336.295 3.229 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC(=O)c2ccccc2O1 ZINC000866189894 1330075792 /nfs/dbraw/zinc/07/57/92/1330075792.db2.gz SPAVUZXVNRNZAW-CQSZACIVSA-N 0 0 342.351 3.187 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1nn(C)cc1C(F)F ZINC000866193635 1330076140 /nfs/dbraw/zinc/07/61/40/1330076140.db2.gz OGACSRQLFSBTLD-UHFFFAOYSA-N 0 0 326.303 3.024 10 5 EGBERN Cn1cc(C(F)F)c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC000866193845 1330076148 /nfs/dbraw/zinc/07/61/48/1330076148.db2.gz QPCQWFFQRYTTMK-UHFFFAOYSA-N 0 0 337.330 3.152 10 5 EGBERN Cn1cc(C(F)F)c(CNc2ccc([N+](=O)[O-])cc2OC(F)F)n1 ZINC000866192525 1330076341 /nfs/dbraw/zinc/07/63/41/1330076341.db2.gz AUUGINMXHAEEAS-UHFFFAOYSA-N 0 0 348.256 3.479 10 5 EGBERN CC[C@@H](NC(=O)Cc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000866371676 1330103084 /nfs/dbraw/zinc/10/30/84/1330103084.db2.gz AGCALDFZULLEGO-CQSZACIVSA-N 0 0 333.775 3.453 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480883 1330117485 /nfs/dbraw/zinc/11/74/85/1330117485.db2.gz MAPKFXWBOXHUPZ-CVEARBPZSA-N 0 0 346.456 3.293 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOc2cc(N)ccc2C1 ZINC000866690036 1330141599 /nfs/dbraw/zinc/14/15/99/1330141599.db2.gz ULVSOFIYHPASGV-CYBMUJFWSA-N 0 0 327.384 3.441 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])OCCC(F)(F)F ZINC000867066594 1330170192 /nfs/dbraw/zinc/17/01/92/1330170192.db2.gz XPQCCFWZXATEFP-UHFFFAOYSA-N 0 0 340.685 3.469 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000868606064 1330299200 /nfs/dbraw/zinc/29/92/00/1330299200.db2.gz MVHRLPRZWSPJNF-QMMMGPOBSA-N 0 0 325.098 3.381 10 5 EGBERN CCOC(CN(CC)C(=O)c1cccc([N+](=O)[O-])c1Cl)OCC ZINC000868774948 1330340443 /nfs/dbraw/zinc/34/04/43/1330340443.db2.gz BAVQIWAQKADMMG-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN Cc1ncc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868933182 1330377095 /nfs/dbraw/zinc/37/70/95/1330377095.db2.gz JZNOCDDGMCPHMC-JTQLQIEISA-N 0 0 334.401 3.229 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000869053635 1330403162 /nfs/dbraw/zinc/40/31/62/1330403162.db2.gz PSNZSQITIZKNTQ-CYBMUJFWSA-N 0 0 328.372 3.201 10 5 EGBERN C[C@]1(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000869137843 1330422734 /nfs/dbraw/zinc/42/27/34/1330422734.db2.gz PSEDJJQCUKWNDJ-KBPBESRZSA-N 0 0 332.734 3.097 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CCC2(CC2(F)F)CC1 ZINC000869278230 1330452300 /nfs/dbraw/zinc/45/23/00/1330452300.db2.gz SEWAATSYLGGDJU-UHFFFAOYSA-N 0 0 342.317 3.361 10 5 EGBERN C[C@@H](C(=O)OCc1coc(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000869474225 1330507215 /nfs/dbraw/zinc/50/72/15/1330507215.db2.gz OKJWBZOBMHXYCR-SECBINFHSA-N 0 0 334.303 3.446 10 5 EGBERN C[C@@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)c1ccco1 ZINC000869812036 1330569516 /nfs/dbraw/zinc/56/95/16/1330569516.db2.gz ZUNOBVJWXRWZTH-GFCCVEGCSA-N 0 0 343.335 3.424 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2cncs2)cc1C(F)(F)F ZINC000952993337 1334632499 /nfs/dbraw/zinc/63/24/99/1334632499.db2.gz WVQKMSNALJKMRE-JTQLQIEISA-N 0 0 333.291 3.216 10 5 EGBERN COC(=O)c1ccnc(Sc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001184634152 1387501761 /nfs/dbraw/zinc/50/17/61/1387501761.db2.gz IKGPIRHWKDYIJC-UHFFFAOYSA-N 0 0 326.280 3.206 10 5 EGBERN O=[N+]([O-])c1cnc(Sc2n[nH]c(-c3ccccc3F)n2)c(F)c1 ZINC001184739633 1387524750 /nfs/dbraw/zinc/52/47/50/1387524750.db2.gz IUIMDVZBGPUYOA-UHFFFAOYSA-N 0 0 335.295 3.204 10 5 EGBERN O=[N+]([O-])c1cccc(CCc2nnc(CCOc3ccccc3)o2)c1 ZINC001324161252 1387549485 /nfs/dbraw/zinc/54/94/85/1387549485.db2.gz PXRCIDUXOCBNNY-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC(OCC(F)F)C1 ZINC001185629775 1387765238 /nfs/dbraw/zinc/76/52/38/1387765238.db2.gz GRGLIYUFDHQBEI-UHFFFAOYSA-N 0 0 326.221 3.084 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1CCC(O)CC1 ZINC001324884422 1387804962 /nfs/dbraw/zinc/80/49/62/1387804962.db2.gz NNQDTLDWIGEJMY-DCBWTQNWSA-N 0 0 339.413 3.170 10 5 EGBERN COC(=O)[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@H]1C ZINC001186130594 1387875820 /nfs/dbraw/zinc/87/58/20/1387875820.db2.gz DGCWPQSDFPFRQG-DTWKUNHWSA-N 0 0 332.278 3.001 10 5 EGBERN CN1c2ccccc2N(Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC001191591996 1367535674 /nfs/dbraw/zinc/53/56/74/1367535674.db2.gz UZODUCVJKLOSEO-UHFFFAOYSA-N 0 0 329.331 3.107 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@]23CCCOC3)c(F)c1 ZINC001198827451 1369123584 /nfs/dbraw/zinc/12/35/84/1369123584.db2.gz CPILPVWQEWQZPY-INIZCTEOSA-N 0 0 326.343 3.408 10 5 EGBERN NC(=O)N1CCC[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001186627666 1387989467 /nfs/dbraw/zinc/98/94/67/1387989467.db2.gz VBVNDPDRIOVRDZ-QMMMGPOBSA-N 0 0 347.202 3.104 10 5 EGBERN CC[C@@](CNc1cc(C)c([N+](=O)[O-])cn1)(C(=O)OC)c1ccccc1 ZINC001186681425 1387997849 /nfs/dbraw/zinc/99/78/49/1387997849.db2.gz RVDSYHQTGWZNJE-SFHVURJKSA-N 0 0 343.383 3.231 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[C@H](C)O[C@H]1C ZINC001186731059 1388001373 /nfs/dbraw/zinc/00/13/73/1388001373.db2.gz QOFCGGVLCSFSII-GUBZILKMSA-N 0 0 342.779 3.260 10 5 EGBERN COC(=O)Cc1ccc(Oc2ccc(C=O)c(F)c2)c([N+](=O)[O-])c1 ZINC001186931055 1388030286 /nfs/dbraw/zinc/03/02/86/1388030286.db2.gz QRXRVGSTXOIHEY-UHFFFAOYSA-N 0 0 333.271 3.054 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc2c1CCNC2=O ZINC001202803584 1369897907 /nfs/dbraw/zinc/89/79/07/1369897907.db2.gz CGQFZKAZOYFXPB-JLHYYAGUSA-N 0 0 337.379 3.396 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCC(F)(F)c1ccc(F)cc1 ZINC001187141101 1388058031 /nfs/dbraw/zinc/05/80/31/1388058031.db2.gz QBSCYAPCWSEBJS-UHFFFAOYSA-N 0 0 328.294 3.463 10 5 EGBERN COC(=O)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC001187248736 1388081160 /nfs/dbraw/zinc/08/11/60/1388081160.db2.gz SUBPPBJFOVXYKG-GFCCVEGCSA-N 0 0 341.795 3.425 10 5 EGBERN Cc1nc(NCc2ccc(OC(F)F)cc2F)ncc1[N+](=O)[O-] ZINC001187334476 1388095437 /nfs/dbraw/zinc/09/54/37/1388095437.db2.gz YPLKHRODZDNCMK-UHFFFAOYSA-N 0 0 328.250 3.046 10 5 EGBERN CC(C)c1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]1 ZINC001115947079 1370809725 /nfs/dbraw/zinc/80/97/25/1370809725.db2.gz DNMGHAMHRLVTCM-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN COc1ccc(C[C@H](C)N(C)c2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC001116050123 1370827516 /nfs/dbraw/zinc/82/75/16/1370827516.db2.gz OUXFZJOZYIDALL-ZDUSSCGKSA-N 0 0 340.383 3.319 10 5 EGBERN CC1(C)[C@H](c2ccccc2Cl)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187446434 1388110306 /nfs/dbraw/zinc/11/03/06/1388110306.db2.gz ZBVJXMFXSJDDIE-NSHDSACASA-N 0 0 347.806 3.393 10 5 EGBERN CC[C@]1(CCc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187463054 1388112851 /nfs/dbraw/zinc/11/28/51/1388112851.db2.gz NPNAMDLWEQATJX-GOSISDBHSA-N 0 0 341.415 3.349 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC001118274933 1371156770 /nfs/dbraw/zinc/15/67/70/1371156770.db2.gz JVCHPKVMTZCKBI-ZFWWWQNUSA-N 0 0 325.368 3.170 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc([C@@H]3CCCCO3)o2)ccc1OC(F)F ZINC001118434474 1371181799 /nfs/dbraw/zinc/18/17/99/1371181799.db2.gz GWFTUQOLJHKBEP-NSHDSACASA-N 0 0 341.270 3.488 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001118988830 1371261253 /nfs/dbraw/zinc/26/12/53/1371261253.db2.gz ZPKAWOLLAMRVMQ-ZWKOTPCHSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@]23CCC[C@H]2OCC3)n1 ZINC001118995195 1371263544 /nfs/dbraw/zinc/26/35/44/1371263544.db2.gz DALYCLJFYMGDQW-PBHICJAKSA-N 0 0 329.356 3.472 10 5 EGBERN COc1cc(Cl)ccc1-c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001326223674 1388129469 /nfs/dbraw/zinc/12/94/69/1388129469.db2.gz WQAOHZXPGOHPOY-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN COc1ccc(Sc2c([N+](=O)[O-])ncn2C)cc1Br ZINC001187662438 1388138967 /nfs/dbraw/zinc/13/89/67/1388138967.db2.gz BRNJRPOOOGNXIO-UHFFFAOYSA-N 0 0 344.190 3.251 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCOc2cc(F)ccc21 ZINC001187694977 1388145008 /nfs/dbraw/zinc/14/50/08/1388145008.db2.gz RJTCGLMBFSZVBB-UHFFFAOYSA-N 0 0 346.240 3.017 10 5 EGBERN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccsc1[N+](=O)[O-] ZINC001187715700 1388148901 /nfs/dbraw/zinc/14/89/01/1388148901.db2.gz BJAYGUTWZWZSKI-SNVBAGLBSA-N 0 0 327.406 3.102 10 5 EGBERN C[C@H]([C@H](OC(=O)C[C@@H]1CC(C)(C)CO1)c1ccccc1F)[N+](=O)[O-] ZINC001123120394 1372384564 /nfs/dbraw/zinc/38/45/64/1372384564.db2.gz UEIRDKAQLLRXEE-HSMVNMDESA-N 0 0 339.363 3.280 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(F)(F)CC[C@@H]1C ZINC001123264530 1372410284 /nfs/dbraw/zinc/41/02/84/1372410284.db2.gz PDAXFXJLVAZUCS-VIFPVBQESA-N 0 0 329.303 3.255 10 5 EGBERN Cc1cc(NC(=O)N2CCC(O)(C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC001123360978 1372442531 /nfs/dbraw/zinc/44/25/31/1372442531.db2.gz UBCIBKHZBTUSPL-UHFFFAOYSA-N 0 0 333.388 3.062 10 5 EGBERN COc1ccc(NC(=O)NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001123374825 1372446100 /nfs/dbraw/zinc/44/61/00/1372446100.db2.gz CELOQMFCGMPRAY-UHFFFAOYSA-N 0 0 333.266 3.067 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001124406484 1372698739 /nfs/dbraw/zinc/69/87/39/1372698739.db2.gz RQOISUFSSFCEGL-HUUCEWRRSA-N 0 0 327.296 3.245 10 5 EGBERN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001124681591 1372721694 /nfs/dbraw/zinc/72/16/94/1372721694.db2.gz QLYRNTSZVXIHNP-AWEZNQCLSA-N 0 0 340.257 3.338 10 5 EGBERN CCC(=O)Nc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001125078964 1372751843 /nfs/dbraw/zinc/75/18/43/1372751843.db2.gz MJRYVTQDTHALNO-UHFFFAOYSA-N 0 0 345.330 3.012 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125150082 1372756810 /nfs/dbraw/zinc/75/68/10/1372756810.db2.gz OJCWYDMWKYHGIR-UHFFFAOYSA-N 0 0 334.259 3.099 10 5 EGBERN COC(=O)Cc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001125415170 1372783905 /nfs/dbraw/zinc/78/39/05/1372783905.db2.gz LDPPYQGLVCTVLY-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)nn2)cc1Cl ZINC001125730499 1372842063 /nfs/dbraw/zinc/84/20/63/1372842063.db2.gz XDKBRUGXVHSYNX-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN Cc1nc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)sc1C ZINC001126291671 1372954762 /nfs/dbraw/zinc/95/47/62/1372954762.db2.gz KZZIZDVYCUSUBT-UHFFFAOYSA-N 0 0 334.401 3.037 10 5 EGBERN Cc1cccc(CO[C@H](C)C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001126357915 1372959907 /nfs/dbraw/zinc/95/99/07/1372959907.db2.gz UKYBQCWBPPQXCK-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN COC(=O)c1cc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001126373425 1372961068 /nfs/dbraw/zinc/96/10/68/1372961068.db2.gz YMMQGOFDFKFFDI-QWRGUYRKSA-N 0 0 334.372 3.392 10 5 EGBERN CO[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C ZINC001126471518 1372968562 /nfs/dbraw/zinc/96/85/62/1372968562.db2.gz BQZBXBDNTASGDL-OAHLLOKOSA-N 0 0 343.383 3.058 10 5 EGBERN CC(=O)Nc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001126615725 1372984204 /nfs/dbraw/zinc/98/42/04/1372984204.db2.gz JKSNAGHGYCCQQX-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001126679866 1372997549 /nfs/dbraw/zinc/99/75/49/1372997549.db2.gz KWVBSEJBMGFJQM-CYBMUJFWSA-N 0 0 343.383 3.010 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] ZINC001126825391 1373036797 /nfs/dbraw/zinc/03/67/97/1373036797.db2.gz OQHRDGPXOJWZIX-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)(C)O1 ZINC001127641321 1373152085 /nfs/dbraw/zinc/15/20/85/1373152085.db2.gz MVSIFLNDGQRAMA-BZUAXINKSA-N 0 0 346.427 3.027 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)[C@@H]1OC ZINC001127654292 1373153822 /nfs/dbraw/zinc/15/38/22/1373153822.db2.gz FJSJHYDCVPXOAX-WQVCFCJDSA-N 0 0 334.416 3.473 10 5 EGBERN O=C(Nc1ccc(C(F)(F)F)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC001127711816 1373165879 /nfs/dbraw/zinc/16/58/79/1373165879.db2.gz SDHORAJQAAJCSL-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC)[C@@H]2C)cc1OC ZINC001128278793 1373244883 /nfs/dbraw/zinc/24/48/83/1373244883.db2.gz BRBNGIAEVSSBFB-NWDGAFQWSA-N 0 0 336.388 3.263 10 5 EGBERN CN(C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC001128454924 1373270866 /nfs/dbraw/zinc/27/08/66/1373270866.db2.gz WFUQJYODLLGOMM-UHFFFAOYSA-N 0 0 343.236 3.023 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC001128472372 1373273354 /nfs/dbraw/zinc/27/33/54/1373273354.db2.gz XPUIOQYYKDFIEQ-IJLUTSLNSA-N 0 0 330.388 3.273 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H]1CC[C@H](C)C1 ZINC001128549585 1373289021 /nfs/dbraw/zinc/28/90/21/1373289021.db2.gz HJJOIVLVTQDIRQ-AAEUAGOBSA-N 0 0 338.379 3.320 10 5 EGBERN Cc1cccnc1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001129084115 1373343897 /nfs/dbraw/zinc/34/38/97/1373343897.db2.gz QBVUWNMBZVJZCM-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)N(C)C)c1 ZINC001129100362 1373346060 /nfs/dbraw/zinc/34/60/60/1373346060.db2.gz RRFGGFAYOFCSGV-UHFFFAOYSA-N 0 0 342.355 3.249 10 5 EGBERN CCC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC001129114498 1373347386 /nfs/dbraw/zinc/34/73/86/1373347386.db2.gz FNGQOYLSCJCTFJ-OAHLLOKOSA-N 0 0 345.403 3.120 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001129136670 1373350854 /nfs/dbraw/zinc/35/08/54/1373350854.db2.gz ZROXNIGRQMCFTH-UHFFFAOYSA-N 0 0 342.351 3.148 10 5 EGBERN Cc1ccc(COC(=O)C(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001129247159 1373365012 /nfs/dbraw/zinc/36/50/12/1373365012.db2.gz FIRSGZBTMZJSBK-UHFFFAOYSA-N 0 0 339.347 3.318 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@H]2CCc3ccccc32)n1 ZINC001129462547 1373386938 /nfs/dbraw/zinc/38/69/38/1373386938.db2.gz DTLDSSVASRYBGN-CQSZACIVSA-N 0 0 325.368 3.148 10 5 EGBERN C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001129612238 1373402379 /nfs/dbraw/zinc/40/23/79/1373402379.db2.gz HFFZPKICRKDCEW-ACJLOTCBSA-N 0 0 342.399 3.479 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@H]1C1CC1 ZINC001129848678 1373429499 /nfs/dbraw/zinc/42/94/99/1373429499.db2.gz WECBXMRWTWDPAS-GJZGRUSLSA-N 0 0 331.416 3.339 10 5 EGBERN O=C(Nc1cccnc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC001130164166 1373466686 /nfs/dbraw/zinc/46/66/86/1373466686.db2.gz RSVKXSARONULGB-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccnc1F ZINC001130375099 1373510055 /nfs/dbraw/zinc/51/00/55/1373510055.db2.gz OWHFWVFBGCIFMZ-MRVPVSSYSA-N 0 0 339.710 3.188 10 5 EGBERN COc1cccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc21 ZINC001130453841 1373545317 /nfs/dbraw/zinc/54/53/17/1373545317.db2.gz XVLRKCZJHQPQLC-UHFFFAOYSA-N 0 0 343.364 3.394 10 5 EGBERN CC(C)Oc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001130519865 1373554289 /nfs/dbraw/zinc/55/42/89/1373554289.db2.gz YKOPALIZFFIHHH-UHFFFAOYSA-N 0 0 336.735 3.078 10 5 EGBERN O=C(CCc1cncs1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130758664 1373588143 /nfs/dbraw/zinc/58/81/43/1373588143.db2.gz JEXHNRJPMJDHSR-UHFFFAOYSA-N 0 0 328.353 3.171 10 5 EGBERN CC(C)c1nnsc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130761420 1373589006 /nfs/dbraw/zinc/58/90/06/1373589006.db2.gz ULCVDLDTWYKAMJ-UHFFFAOYSA-N 0 0 343.368 3.370 10 5 EGBERN CCc1c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cnn1CC ZINC001130960202 1373616733 /nfs/dbraw/zinc/61/67/33/1373616733.db2.gz XBZQZVQAXHUSQS-UHFFFAOYSA-N 0 0 339.355 3.174 10 5 EGBERN COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC001131205226 1373661641 /nfs/dbraw/zinc/66/16/41/1373661641.db2.gz CAZAXEUTONUUOP-UHFFFAOYSA-N 0 0 334.303 3.068 10 5 EGBERN O=C(c1ccc2cccnn21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001131445845 1373699986 /nfs/dbraw/zinc/69/99/86/1373699986.db2.gz DXXHILDBSILJSZ-UHFFFAOYSA-N 0 0 336.351 3.226 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cc(Cl)ccn1 ZINC001131459336 1373702977 /nfs/dbraw/zinc/70/29/77/1373702977.db2.gz HZFXRZSZZSFWLI-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001131537489 1373716670 /nfs/dbraw/zinc/71/66/70/1373716670.db2.gz LSCQUFIGHJQNMT-UHFFFAOYSA-N 0 0 329.312 3.396 10 5 EGBERN Cc1nc(N2CCCC[C@@H]2Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC001326764022 1388303234 /nfs/dbraw/zinc/30/32/34/1388303234.db2.gz FSRBTFYLAZPVQO-CQSZACIVSA-N 0 0 330.363 3.434 10 5 EGBERN CC(C)c1coc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC001132176043 1375190079 /nfs/dbraw/zinc/19/00/79/1375190079.db2.gz LXIOQYSUMNYBKE-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN CO[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001226216094 1375221833 /nfs/dbraw/zinc/22/18/33/1375221833.db2.gz HHKJKZXILKRIPT-KRWDZBQOSA-N 0 0 349.431 3.298 10 5 EGBERN Cc1ncc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC001132244613 1375238707 /nfs/dbraw/zinc/23/87/07/1375238707.db2.gz HDPMGDRUOCQNFO-VIFPVBQESA-N 0 0 342.380 3.399 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC001132419067 1375366425 /nfs/dbraw/zinc/36/64/25/1375366425.db2.gz VVDPOIGYQATQKP-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1nn(C)c2ccccc12 ZINC001132432220 1375377463 /nfs/dbraw/zinc/37/74/63/1375377463.db2.gz SXDLDRDHOOWZCX-UHFFFAOYSA-N 0 0 339.351 3.455 10 5 EGBERN COc1cccc(SCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001132637340 1375493021 /nfs/dbraw/zinc/49/30/21/1375493021.db2.gz OEPDELYYEKUDBU-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC001132960456 1375675950 /nfs/dbraw/zinc/67/59/50/1375675950.db2.gz VGRNPLRGSSVYKM-CYBMUJFWSA-N 0 0 341.367 3.447 10 5 EGBERN C[C@H](NC(=O)c1cnccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001133111312 1375782078 /nfs/dbraw/zinc/78/20/78/1375782078.db2.gz QMWUPUQTKFJSAR-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN Cc1nccnc1N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001133289839 1375899789 /nfs/dbraw/zinc/89/97/89/1375899789.db2.gz DSBZKEWMJVJMQU-UHFFFAOYSA-N 0 0 341.154 3.277 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1noc2ccccc21 ZINC001133390376 1375974418 /nfs/dbraw/zinc/97/44/18/1375974418.db2.gz QACYOPLGRIXMDV-UHFFFAOYSA-N 0 0 343.314 3.124 10 5 EGBERN CC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001133512215 1376049275 /nfs/dbraw/zinc/04/92/75/1376049275.db2.gz MHJBLVAWEILIJM-SFHVURJKSA-N 0 0 342.395 3.357 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC001133555316 1376083237 /nfs/dbraw/zinc/08/32/37/1376083237.db2.gz WBLYMEMQLDDAAJ-WBMJQRKESA-N 0 0 333.344 3.122 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001133706931 1376167240 /nfs/dbraw/zinc/16/72/40/1376167240.db2.gz XVQRDOZAYNIKKW-NSHDSACASA-N 0 0 327.340 3.044 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2cc(F)c(F)cc2O1 ZINC001134155963 1376391269 /nfs/dbraw/zinc/39/12/69/1376391269.db2.gz ZLMGNNMRPAYXDO-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN COc1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])cc1F ZINC001134315598 1376471349 /nfs/dbraw/zinc/47/13/49/1376471349.db2.gz PNDCMSIVVIOKEJ-GJPRJAGVSA-N 0 0 346.358 3.027 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc(F)c(Cl)c1 ZINC001134336917 1376483644 /nfs/dbraw/zinc/48/36/44/1376483644.db2.gz QLLINMQHWXCKNE-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN C[C@H](CNC(=O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC001134495346 1376568792 /nfs/dbraw/zinc/56/87/92/1376568792.db2.gz IDJIZXWQBRBDNG-GFCCVEGCSA-N 0 0 332.331 3.033 10 5 EGBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001134785232 1376719356 /nfs/dbraw/zinc/71/93/56/1376719356.db2.gz NQPXJORRLALJLM-BZHVJNSISA-N 0 0 339.189 3.276 10 5 EGBERN O=C(Nc1cnc(F)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001134918877 1376788444 /nfs/dbraw/zinc/78/84/44/1376788444.db2.gz IMNPLECGWDTZDU-UHFFFAOYSA-N 0 0 330.250 3.069 10 5 EGBERN Cc1cc(NC(=O)c2cc(COC(C)(C)C)on2)cc([N+](=O)[O-])c1 ZINC001134962689 1376812593 /nfs/dbraw/zinc/81/25/93/1376812593.db2.gz BWNMSTANWJUPQB-UHFFFAOYSA-N 0 0 333.344 3.459 10 5 EGBERN NC(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC001135040973 1376863901 /nfs/dbraw/zinc/86/39/01/1376863901.db2.gz DBXZKWAKNXZZFE-UHFFFAOYSA-N 0 0 349.346 3.028 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cnc(Cl)cn1 ZINC001135041069 1376863910 /nfs/dbraw/zinc/86/39/10/1376863910.db2.gz HMLXZJORBIHQCO-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC001135055316 1376870804 /nfs/dbraw/zinc/87/08/04/1376870804.db2.gz JCEWHAQDRAEEJB-KGLIPLIRSA-N 0 0 347.371 3.368 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001135222162 1376984463 /nfs/dbraw/zinc/98/44/63/1376984463.db2.gz LDLRUPCENVEFHI-YWTNHNAXSA-N 0 0 344.411 3.116 10 5 EGBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(Cl)c(F)c1 ZINC001189182643 1388476919 /nfs/dbraw/zinc/47/69/19/1388476919.db2.gz IHBLPCDIIJRTSN-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN O=C(Nc1cccc(C(F)(F)F)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001135510480 1377123074 /nfs/dbraw/zinc/12/30/74/1377123074.db2.gz POYUMWASJKIWSR-UHFFFAOYSA-N 0 0 334.641 3.242 10 5 EGBERN CCc1ncc(Cl)c(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])n1 ZINC001264250279 1377141730 /nfs/dbraw/zinc/14/17/30/1377141730.db2.gz ONOAWEQUXNZQJC-UHFFFAOYSA-N 0 0 335.747 3.437 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001266572316 1377334229 /nfs/dbraw/zinc/33/42/29/1377334229.db2.gz CSMLKLANIMUGRQ-UHFFFAOYSA-N 0 0 342.351 3.148 10 5 EGBERN Nc1c(C(=O)Nc2ccc(Cl)nc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001136146224 1377357842 /nfs/dbraw/zinc/35/78/42/1377357842.db2.gz PLJSNWKVNAAQCV-UHFFFAOYSA-N 0 0 345.117 3.270 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC/C=C\c1ccccc1 ZINC001266734750 1377369833 /nfs/dbraw/zinc/36/98/33/1377369833.db2.gz KPTKFOBTTAWCOL-DAXSKMNVSA-N 0 0 328.343 3.496 10 5 EGBERN Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136769133 1377421661 /nfs/dbraw/zinc/42/16/61/1377421661.db2.gz BEPVDACAEPUGFS-OAHLLOKOSA-N 0 0 342.399 3.398 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001138106198 1377677929 /nfs/dbraw/zinc/67/79/29/1377677929.db2.gz HDQCZJBWWSDZOU-LLVKDONJSA-N 0 0 327.340 3.240 10 5 EGBERN C[C@H]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001139880861 1377970420 /nfs/dbraw/zinc/97/04/20/1377970420.db2.gz WDGRPSVTPLUIOE-NWDGAFQWSA-N 0 0 328.372 3.151 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccnc1C(C)C ZINC001141184510 1378262037 /nfs/dbraw/zinc/26/20/37/1378262037.db2.gz ZPRDNYCOLMZTPA-UHFFFAOYSA-N 0 0 345.403 3.374 10 5 EGBERN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001141300083 1378295716 /nfs/dbraw/zinc/29/57/16/1378295716.db2.gz UACMDKHZZSEJGB-GFCCVEGCSA-N 0 0 340.788 3.115 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC001141302123 1378296378 /nfs/dbraw/zinc/29/63/78/1378296378.db2.gz PULIIDXCRDEHFB-UHFFFAOYSA-N 0 0 326.312 3.046 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(C=O)c[nH]c2c1 ZINC001141478161 1378331854 /nfs/dbraw/zinc/33/18/54/1378331854.db2.gz NSLOHJCNBMISME-UHFFFAOYSA-N 0 0 337.335 3.161 10 5 EGBERN C[C@H](C(=O)NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141575542 1378345949 /nfs/dbraw/zinc/34/59/49/1378345949.db2.gz HPQHFDSVXXWASF-FHMRSRPSSA-N 0 0 329.331 3.062 10 5 EGBERN Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141767462 1378373078 /nfs/dbraw/zinc/37/30/78/1378373078.db2.gz LGSBLRTWQBFOFR-UHFFFAOYSA-N 0 0 342.399 3.041 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001141848324 1378384677 /nfs/dbraw/zinc/38/46/77/1378384677.db2.gz TVDOMGSBIHHUKD-LLVKDONJSA-N 0 0 330.388 3.351 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc(Cl)c1N)c1cccc([N+](=O)[O-])c1 ZINC001141891389 1378390471 /nfs/dbraw/zinc/39/04/71/1378390471.db2.gz QPSPWTVQLWHKTJ-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141910075 1378392777 /nfs/dbraw/zinc/39/27/77/1378392777.db2.gz PFZZYBPYXDYHGG-WBVHZDCISA-N 0 0 328.372 3.149 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001142506329 1378449839 /nfs/dbraw/zinc/44/98/39/1378449839.db2.gz ONFIJCXDARVAET-ONGXEEELSA-N 0 0 325.796 3.385 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001142746159 1378483327 /nfs/dbraw/zinc/48/33/27/1378483327.db2.gz FTDCLXPGWRSFAI-DYEKYZERSA-N 0 0 334.420 3.010 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1OC ZINC001143093138 1378538477 /nfs/dbraw/zinc/53/84/77/1378538477.db2.gz MSSIXCQVEXVWDN-UHFFFAOYSA-N 0 0 347.396 3.376 10 5 EGBERN CCn1cc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143384886 1378590648 /nfs/dbraw/zinc/59/06/48/1378590648.db2.gz YHACHDMVWSLEHK-UHFFFAOYSA-N 0 0 343.717 3.278 10 5 EGBERN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146543205 1378863115 /nfs/dbraw/zinc/86/31/15/1378863115.db2.gz AKWVCPAZQACBID-GXTWGEPZSA-N 0 0 325.368 3.195 10 5 EGBERN CCC(=O)NCc1ccc2c(c1)CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001327682818 1388579749 /nfs/dbraw/zinc/57/97/49/1388579749.db2.gz PTJKNWVBOMSGTI-UHFFFAOYSA-N 0 0 339.395 3.137 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327694054 1388584477 /nfs/dbraw/zinc/58/44/77/1388584477.db2.gz ZSDILYXLWRGHRZ-QNSHHTMESA-N 0 0 329.278 3.289 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001148407488 1379166575 /nfs/dbraw/zinc/16/65/75/1379166575.db2.gz NVISNRQKXJLBNU-VHSXEESVSA-N 0 0 328.340 3.044 10 5 EGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nccn1C ZINC001149438562 1379383329 /nfs/dbraw/zinc/38/33/29/1379383329.db2.gz OOMJPNPSEPUGKE-VIFPVBQESA-N 0 0 330.369 3.034 10 5 EGBERN CC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001150944162 1379637531 /nfs/dbraw/zinc/63/75/31/1379637531.db2.gz BDJGYTREKZBNLX-BXUZGUMPSA-N 0 0 328.372 3.293 10 5 EGBERN O=C(c1cnc2ccccn12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001151767900 1379777196 /nfs/dbraw/zinc/77/71/96/1379777196.db2.gz BHUCTPCGZZBFSY-UHFFFAOYSA-N 0 0 336.351 3.047 10 5 EGBERN COc1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)cc1[N+](=O)[O-] ZINC001152085590 1379859757 /nfs/dbraw/zinc/85/97/57/1379859757.db2.gz LXTIHAYLQBHENO-UHFFFAOYSA-N 0 0 331.328 3.080 10 5 EGBERN O=C(Nc1ccc(O)cc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001152099589 1379861217 /nfs/dbraw/zinc/86/12/17/1379861217.db2.gz KAICWLXWULGSET-UHFFFAOYSA-N 0 0 330.315 3.500 10 5 EGBERN CN1CCc2ccc(NC(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)cc21 ZINC001152511006 1379943315 /nfs/dbraw/zinc/94/33/15/1379943315.db2.gz IZEQHXUZNPBHAG-UHFFFAOYSA-N 0 0 346.774 3.075 10 5 EGBERN C[C@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1(F)F ZINC001327983647 1388639079 /nfs/dbraw/zinc/63/90/79/1388639079.db2.gz FNSZEJKBWVXOIY-AWEZNQCLSA-N 0 0 325.315 3.055 10 5 EGBERN C[C@@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1(F)F ZINC001327983649 1388639390 /nfs/dbraw/zinc/63/93/90/1388639390.db2.gz FNSZEJKBWVXOIY-CQSZACIVSA-N 0 0 325.315 3.055 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H](C(F)F)C3)c2c1 ZINC001328024552 1388647524 /nfs/dbraw/zinc/64/75/24/1388647524.db2.gz SYTAMIPSTKFGKS-ZETCQYMHSA-N 0 0 328.706 3.283 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnc3[nH]ccc3c2)c1 ZINC001154590795 1380312300 /nfs/dbraw/zinc/31/23/00/1380312300.db2.gz UJZPWNCCBKKSIE-UHFFFAOYSA-N 0 0 340.339 3.139 10 5 EGBERN C[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC001154845267 1380363750 /nfs/dbraw/zinc/36/37/50/1380363750.db2.gz RZUAGERFGNLDMV-GFCCVEGCSA-N 0 0 344.415 3.346 10 5 EGBERN COC(=O)CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC001156722696 1380617219 /nfs/dbraw/zinc/61/72/19/1380617219.db2.gz PEDZYAVOPISMKY-UHFFFAOYSA-N 0 0 348.399 3.289 10 5 EGBERN O=C(Nc1ccc(O)c(F)c1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001157805397 1381038483 /nfs/dbraw/zinc/03/84/83/1381038483.db2.gz FIIYFYFJRUNGAY-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(N)c1[N+](=O)[O-] ZINC001158223043 1381164234 /nfs/dbraw/zinc/16/42/34/1381164234.db2.gz AOSGXRVUCMVSLF-UHFFFAOYSA-N 0 0 337.282 3.339 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)c2n1 ZINC001158231768 1381168462 /nfs/dbraw/zinc/16/84/62/1381168462.db2.gz JEIBABQZGFDLHA-UHFFFAOYSA-N 0 0 339.355 3.002 10 5 EGBERN COCc1ccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1OC ZINC001287441597 1381207405 /nfs/dbraw/zinc/20/74/05/1381207405.db2.gz WJXNJLZXFURUIE-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN Cc1ccc(CNC(=O)C(F)(F)c2ccccc2F)cc1[N+](=O)[O-] ZINC001287964433 1381452099 /nfs/dbraw/zinc/45/20/99/1381452099.db2.gz JACDIDILEFUMJB-UHFFFAOYSA-N 0 0 338.285 3.451 10 5 EGBERN CCc1ccc(C(=O)Nc2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001288120018 1381567416 /nfs/dbraw/zinc/56/74/16/1381567416.db2.gz ONNPWOKFUBHKNR-UHFFFAOYSA-N 0 0 332.287 3.277 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC001328388016 1388734398 /nfs/dbraw/zinc/73/43/98/1388734398.db2.gz REHBSHWYFVMYNW-HYXAFXHYSA-N 0 0 334.372 3.010 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2noc3cc(F)ccc23)c1F ZINC001288196399 1381705939 /nfs/dbraw/zinc/70/59/39/1381705939.db2.gz NSMHNKCSAHUUSB-UHFFFAOYSA-N 0 0 347.277 3.253 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC001288278066 1381761696 /nfs/dbraw/zinc/76/16/96/1381761696.db2.gz DVYYTZNXHJVMAO-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN O=C(Nc1ccncc1-c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC001288285303 1381766706 /nfs/dbraw/zinc/76/67/06/1381766706.db2.gz XNPVYHAJBDVFTC-UHFFFAOYSA-N 0 0 325.349 3.393 10 5 EGBERN Cc1ccc2c(n1)N(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)CCC2 ZINC001288511358 1381857735 /nfs/dbraw/zinc/85/77/35/1381857735.db2.gz ZRFUTBGVDHWQJF-UHFFFAOYSA-N 0 0 348.362 3.439 10 5 EGBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)ncn1 ZINC001289437477 1381999562 /nfs/dbraw/zinc/99/95/62/1381999562.db2.gz WXUKEDXMIWJDHG-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001289925440 1382021788 /nfs/dbraw/zinc/02/17/88/1382021788.db2.gz BUMJWKDQXJRZSI-UHFFFAOYSA-N 0 0 348.742 3.201 10 5 EGBERN CCCC1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001289946986 1382028617 /nfs/dbraw/zinc/02/86/17/1382028617.db2.gz XUEYTVGHJDHHSJ-QGZVFWFLSA-N 0 0 345.399 3.127 10 5 EGBERN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001160512786 1382127583 /nfs/dbraw/zinc/12/75/83/1382127583.db2.gz ZORQSNARKGJUPN-UHFFFAOYSA-N 0 0 332.213 3.037 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001160557976 1382140778 /nfs/dbraw/zinc/14/07/78/1382140778.db2.gz XCORZAQFEIBHSG-UHFFFAOYSA-N 0 0 343.339 3.224 10 5 EGBERN O=C(CCCC(=O)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC001291853364 1382159071 /nfs/dbraw/zinc/15/90/71/1382159071.db2.gz NBYJFTXLXJVZIV-UHFFFAOYSA-N 0 0 326.352 3.264 10 5 EGBERN Nc1ccc(NC(=O)Cc2coc3c2ccc(F)c3F)cc1[N+](=O)[O-] ZINC001160703081 1382174704 /nfs/dbraw/zinc/17/47/04/1382174704.db2.gz POXMQJJUGUVLAQ-UHFFFAOYSA-N 0 0 347.277 3.383 10 5 EGBERN O=C(Nc1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001292609294 1382204947 /nfs/dbraw/zinc/20/49/47/1382204947.db2.gz RIMMUIDCTPEZIY-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC1(C)CC1 ZINC001292859778 1382222007 /nfs/dbraw/zinc/22/20/07/1382222007.db2.gz AECYYPZKBCSJHB-UHFFFAOYSA-N 0 0 343.431 3.228 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1O ZINC001161034647 1382278160 /nfs/dbraw/zinc/27/81/60/1382278160.db2.gz AOASAZSCAWXIGW-UHFFFAOYSA-N 0 0 332.287 3.041 10 5 EGBERN C[C@@H](CCC1CCCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293408898 1382283391 /nfs/dbraw/zinc/28/33/91/1382283391.db2.gz ZARQSLMIWBMUGR-VIFPVBQESA-N 0 0 328.800 3.450 10 5 EGBERN O=C(Nc1ccc(O)c(F)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001161319534 1382369490 /nfs/dbraw/zinc/36/94/90/1382369490.db2.gz KFICAHCMBOTPGO-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN CC(=O)OCC(C)(C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294093922 1382416712 /nfs/dbraw/zinc/41/67/12/1382416712.db2.gz FPBUVBXMMCRRHJ-GFCCVEGCSA-N 0 0 336.388 3.060 10 5 EGBERN COc1cccc(O)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001294221004 1382428824 /nfs/dbraw/zinc/42/88/24/1382428824.db2.gz WCJVPSUNSGHQAT-UHFFFAOYSA-N 0 0 344.367 3.062 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001294339573 1382443323 /nfs/dbraw/zinc/44/33/23/1382443323.db2.gz UIGITSGGXDIERO-NSHDSACASA-N 0 0 333.413 3.401 10 5 EGBERN COc1ccc(F)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162184976 1382651824 /nfs/dbraw/zinc/65/18/24/1382651824.db2.gz SACQSDUXPNPFBJ-VIFPVBQESA-N 0 0 333.319 3.015 10 5 EGBERN CC(C)(C)C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC001295756331 1382802906 /nfs/dbraw/zinc/80/29/06/1382802906.db2.gz KQZSYXQKPPHEHW-RXMQYKEDSA-N 0 0 342.705 3.068 10 5 EGBERN CCSCC[C@@H](C)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001162680195 1382831310 /nfs/dbraw/zinc/83/13/10/1382831310.db2.gz DOQKPVNADXGKSC-GFCCVEGCSA-N 0 0 349.456 3.415 10 5 EGBERN Cc1cccc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1[N+](=O)[O-] ZINC001162837557 1382891370 /nfs/dbraw/zinc/89/13/70/1382891370.db2.gz CVGZYNRZOUCMDN-UHFFFAOYSA-N 0 0 346.221 3.356 10 5 EGBERN O=c1[nH]ccc(NCCSCc2ccnc(Cl)c2)c1[N+](=O)[O-] ZINC001162838220 1382891549 /nfs/dbraw/zinc/89/15/49/1382891549.db2.gz KSIQPKUFNPDXTE-UHFFFAOYSA-N 0 0 340.792 3.089 10 5 EGBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(C)c1 ZINC001163350733 1383028659 /nfs/dbraw/zinc/02/86/59/1383028659.db2.gz NCEVRGXVRVWVQM-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc3[nH]cnc3c2)c(C(F)(F)F)c1 ZINC001163720779 1383113804 /nfs/dbraw/zinc/11/38/04/1383113804.db2.gz BQANZVXZXYSMNI-UHFFFAOYSA-N 0 0 337.261 3.497 10 5 EGBERN COCc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1OC ZINC001163847070 1383128853 /nfs/dbraw/zinc/12/88/53/1383128853.db2.gz PDMKMSABLGNZJF-UHFFFAOYSA-N 0 0 334.357 3.203 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCN1CC(F)(F)F ZINC001164098914 1383156304 /nfs/dbraw/zinc/15/63/04/1383156304.db2.gz LSGSHDPPTSQBND-SECBINFHSA-N 0 0 338.717 3.082 10 5 EGBERN Cc1cccc(-n2ccnc2SCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001165214107 1383250020 /nfs/dbraw/zinc/25/00/20/1383250020.db2.gz HNFISXUAMLDLOC-UHFFFAOYSA-N 0 0 329.385 3.115 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1CCSCc1ccccc1 ZINC001166156530 1383396340 /nfs/dbraw/zinc/39/63/40/1383396340.db2.gz ZMIMHKCTRSZOKJ-UHFFFAOYSA-N 0 0 347.421 3.300 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(c2ccc(F)cc2)C1 ZINC001298404974 1383402199 /nfs/dbraw/zinc/40/21/99/1383402199.db2.gz MGYQCWLOXWQCRO-UHFFFAOYSA-N 0 0 332.306 3.421 10 5 EGBERN Cc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1Cl ZINC001167004463 1383515307 /nfs/dbraw/zinc/51/53/07/1383515307.db2.gz JGRGPAWCEPZEQT-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)co1 ZINC001167400770 1383623043 /nfs/dbraw/zinc/62/30/43/1383623043.db2.gz CZJBUXATOKUSTG-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC001299862601 1383632749 /nfs/dbraw/zinc/63/27/49/1383632749.db2.gz ONHUVOXYZMLWPT-XVNBXDOJSA-N 0 0 332.747 3.337 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001303377374 1383796333 /nfs/dbraw/zinc/79/63/33/1383796333.db2.gz DQIIWIFLMIOHRU-JKSUJKDBSA-N 0 0 348.786 3.490 10 5 EGBERN CON(Cc1ccc(C)o1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001303824145 1383814843 /nfs/dbraw/zinc/81/48/43/1383814843.db2.gz AFAYDBPIBVUJED-UHFFFAOYSA-N 0 0 336.369 3.422 10 5 EGBERN COc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc2ccccc21 ZINC001304001392 1383819502 /nfs/dbraw/zinc/81/95/02/1383819502.db2.gz DDMBUDWADHXWQB-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN CNc1cc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC001304193463 1383838568 /nfs/dbraw/zinc/83/85/68/1383838568.db2.gz SVXUEYRPOZLAHD-JTQLQIEISA-N 0 0 348.790 3.218 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC001306769581 1383903417 /nfs/dbraw/zinc/90/34/17/1383903417.db2.gz DIOPPWYNUVFUGW-UHFFFAOYSA-N 0 0 341.371 3.341 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC001306858360 1383911114 /nfs/dbraw/zinc/91/11/14/1383911114.db2.gz DMPRSOXDALIVJL-UKRRQHHQSA-N 0 0 346.770 3.196 10 5 EGBERN CCOc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001306946782 1383924286 /nfs/dbraw/zinc/92/42/86/1383924286.db2.gz OGXXZBQTAAYTRT-NSHDSACASA-N 0 0 329.356 3.266 10 5 EGBERN CN(Cc1ccn(-c2ccccc2)n1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001306950646 1383925114 /nfs/dbraw/zinc/92/51/14/1383925114.db2.gz DAPFOUMNPULYGM-UHFFFAOYSA-N 0 0 343.774 3.465 10 5 EGBERN CC(C)C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001306984860 1383929947 /nfs/dbraw/zinc/92/99/47/1383929947.db2.gz ZSCYKMDNVMVLLB-ZDUSSCGKSA-N 0 0 329.400 3.319 10 5 EGBERN Cc1ccccc1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001306992335 1383931031 /nfs/dbraw/zinc/93/10/31/1383931031.db2.gz XWEKUUNPJJILRH-UHFFFAOYSA-N 0 0 337.379 3.410 10 5 EGBERN C/C(=C\c1ccccc1)CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307096180 1383939676 /nfs/dbraw/zinc/93/96/76/1383939676.db2.gz QIQFEXLRCISRQW-JLHYYAGUSA-N 0 0 325.368 3.233 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307137407 1383943678 /nfs/dbraw/zinc/94/36/78/1383943678.db2.gz AZNILXLMBDXVEE-JGVFFNPUSA-N 0 0 333.132 3.449 10 5 EGBERN CCN(CCc1ccc(C(F)(F)F)cc1)c1c([N+](=O)[O-])ncn1C ZINC001307145469 1383944927 /nfs/dbraw/zinc/94/49/27/1383944927.db2.gz ADTCUYZMRNVXFK-UHFFFAOYSA-N 0 0 342.321 3.416 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(SCCC(C)(C)O)cc1C ZINC001307153684 1383946673 /nfs/dbraw/zinc/94/66/73/1383946673.db2.gz MSHPOGISWCIQDU-UHFFFAOYSA-N 0 0 327.402 3.333 10 5 EGBERN COc1ccc(F)c(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC001307170430 1383949851 /nfs/dbraw/zinc/94/98/51/1383949851.db2.gz BWQYDFRSTGJGFF-UHFFFAOYSA-N 0 0 345.330 3.239 10 5 EGBERN NC(=O)c1cc(Nc2ccc(O[C@H]3CC3(F)F)cc2)ccc1[N+](=O)[O-] ZINC001307170272 1383949958 /nfs/dbraw/zinc/94/99/58/1383949958.db2.gz CUKBDIVCOYJWFV-AWEZNQCLSA-N 0 0 349.293 3.224 10 5 EGBERN CCC(=O)c1ccc(N[C@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001307186239 1383952228 /nfs/dbraw/zinc/95/22/28/1383952228.db2.gz WXOJRIHUGXNSGY-HNNXBMFYSA-N 0 0 339.351 3.163 10 5 EGBERN CCN1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC001307216105 1383958595 /nfs/dbraw/zinc/95/85/95/1383958595.db2.gz IDWRIJKFOUVWPD-NSHDSACASA-N 0 0 331.294 3.036 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC001307232082 1383962195 /nfs/dbraw/zinc/96/21/95/1383962195.db2.gz XJDBAPIQBBSZES-AOOOYVTPSA-N 0 0 325.340 3.202 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1nccc(Cl)c1Cl ZINC001307276799 1383965818 /nfs/dbraw/zinc/96/58/18/1383965818.db2.gz AMEUIVKWIJRKOF-UHFFFAOYSA-N 0 0 340.122 3.253 10 5 EGBERN Cc1ccnc(-c2noc(COc3cccc([N+](=O)[O-])c3C)n2)c1 ZINC001307296252 1383967979 /nfs/dbraw/zinc/96/79/79/1383967979.db2.gz PGEUABPEJQTOIS-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN O=[N+]([O-])c1cc(OCc2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1 ZINC001307370788 1383978529 /nfs/dbraw/zinc/97/85/29/1383978529.db2.gz XDKZAJMZBWYWOC-UHFFFAOYSA-N 0 0 342.267 3.132 10 5 EGBERN O=C1O[C@H](CN2CCc3c2cccc3[N+](=O)[O-])CN1C1CCCCC1 ZINC001168894510 1384049854 /nfs/dbraw/zinc/04/98/54/1384049854.db2.gz RWSFTOKTNPCQIQ-CQSZACIVSA-N 0 0 345.399 3.111 10 5 EGBERN CC(C)(C)OC(=O)N1CC=CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001307962579 1384065474 /nfs/dbraw/zinc/06/54/74/1384065474.db2.gz UFLUTWPPQDEDQF-UHFFFAOYSA-N 0 0 337.351 3.258 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001307980747 1384067344 /nfs/dbraw/zinc/06/73/44/1384067344.db2.gz FQWGATODQUAPIF-QGZVFWFLSA-N 0 0 348.786 3.426 10 5 EGBERN CSCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001170592495 1384346927 /nfs/dbraw/zinc/34/69/27/1384346927.db2.gz ORMAGXCMODYJSN-UHFFFAOYSA-N 0 0 331.397 3.335 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001312982961 1384384419 /nfs/dbraw/zinc/38/44/19/1384384419.db2.gz GYLCQYKHEPSAMA-FICVDOATSA-N 0 0 348.447 3.378 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001170985084 1384423931 /nfs/dbraw/zinc/42/39/31/1384423931.db2.gz QIHVNICBPSVCOK-SFHVURJKSA-N 0 0 348.362 3.106 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001329042126 1388942109 /nfs/dbraw/zinc/94/21/09/1388942109.db2.gz TWKCWWZSRUCROR-ZSPDNNCOSA-N 0 0 348.309 3.308 10 5 EGBERN O=C(NCc1cc2cnccc2o1)c1ccc([N+](=O)[O-])cc1Cl ZINC001175161899 1385209910 /nfs/dbraw/zinc/20/99/10/1385209910.db2.gz UUJFQWSKSXTJCE-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN Cc1cnn(CC2CC2)c1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001318277176 1385640020 /nfs/dbraw/zinc/64/00/20/1385640020.db2.gz TVDGNUAZPJEZBM-UHFFFAOYSA-N 0 0 339.355 3.243 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001319028721 1385934790 /nfs/dbraw/zinc/93/47/90/1385934790.db2.gz SUADFOUJQDTEMG-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001177762892 1386037122 /nfs/dbraw/zinc/03/71/22/1386037122.db2.gz DCTHOJSHRZSVNX-JTQLQIEISA-N 0 0 344.770 3.322 10 5 EGBERN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001177934755 1386088239 /nfs/dbraw/zinc/08/82/39/1386088239.db2.gz VGYDWCFVHDFHHT-HDEOUBMNSA-N 0 0 348.399 3.092 10 5 EGBERN CNc1c(C(=O)Nc2nc3ccc(C)nc3s2)cccc1[N+](=O)[O-] ZINC001178310167 1386185947 /nfs/dbraw/zinc/18/59/47/1386185947.db2.gz SQZNWGQXABXDSP-UHFFFAOYSA-N 0 0 343.368 3.202 10 5 EGBERN CC(C)(CCC(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1)[N+](=O)[O-] ZINC001178338155 1386192045 /nfs/dbraw/zinc/19/20/45/1386192045.db2.gz AMJJWYNJUOXMMW-UHFFFAOYSA-N 0 0 344.293 3.356 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc2[nH]ccc2c1C ZINC001178673229 1386274634 /nfs/dbraw/zinc/27/46/34/1386274634.db2.gz KQMIVBVONFNZTK-UHFFFAOYSA-N 0 0 328.303 3.431 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1nnc(Cc2ccsc2)o1 ZINC001322369806 1387172966 /nfs/dbraw/zinc/17/29/66/1387172966.db2.gz OWQFPVWBPZDXIH-UHFFFAOYSA-N 0 0 330.369 3.285 10 5 EGBERN Cc1sccc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182599931 1387194599 /nfs/dbraw/zinc/19/45/99/1387194599.db2.gz FTXYCXWMVAXPAC-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(OCC1CCC(O)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329600577 1389177310 /nfs/dbraw/zinc/17/73/10/1389177310.db2.gz BKFREMKFHCQVDU-UHFFFAOYSA-N 0 0 333.384 3.111 10 5 EGBERN O=[N+]([O-])c1cc(OCc2nc(C3CCCC3)no2)c(F)cc1F ZINC001330284355 1389377876 /nfs/dbraw/zinc/37/78/76/1389377876.db2.gz QQCBUXAFBGFDKW-UHFFFAOYSA-N 0 0 325.271 3.493 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(c2ccc(F)cc2)C1 ZINC001330342496 1389393286 /nfs/dbraw/zinc/39/32/86/1389393286.db2.gz JYEOQWQTHNEHPJ-UHFFFAOYSA-N 0 0 344.268 3.090 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001330529249 1389446385 /nfs/dbraw/zinc/44/63/85/1389446385.db2.gz NIYMWCAEUCUTSM-DDTOSNHZSA-N 0 0 326.393 3.472 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001330634047 1389478274 /nfs/dbraw/zinc/47/82/74/1389478274.db2.gz XOUZRZIABUSXMM-MSOLQXFVSA-N 0 0 340.379 3.241 10 5 EGBERN C/C(=C\C(=O)O[C@H]1CCCc2nccnc21)c1ccc([N+](=O)[O-])cc1 ZINC001330649936 1389482608 /nfs/dbraw/zinc/48/26/08/1389482608.db2.gz BAXGQOAKKWUAGG-PCUGXKRQSA-N 0 0 339.351 3.409 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001339151200 1389921586 /nfs/dbraw/zinc/92/15/86/1389921586.db2.gz JZCQYWRFNUPXIB-SYEHKZFSSA-N 0 0 346.280 3.200 10 5 EGBERN CC1(C)CCc2onc(C[S@@](=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC001339307266 1389984322 /nfs/dbraw/zinc/98/43/22/1389984322.db2.gz SPKXERKHVRHCOV-HSZRJFAPSA-N 0 0 334.397 3.406 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001333765831 1390396350 /nfs/dbraw/zinc/39/63/50/1390396350.db2.gz AKAKIRQPUNLBGY-OUAUKWLOSA-N 0 0 325.315 3.459 10 5 EGBERN CCCC1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001342106311 1390572237 /nfs/dbraw/zinc/57/22/37/1390572237.db2.gz NVGFLQWCJDOJKU-UHFFFAOYSA-N 0 0 349.387 3.474 10 5 EGBERN Cn1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C2CCCC2)n1 ZINC001334919020 1390620804 /nfs/dbraw/zinc/62/08/04/1390620804.db2.gz NANNMIGOCIVLJN-UHFFFAOYSA-N 0 0 340.383 3.142 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OCCc1sc(C)nc1C ZINC001344913093 1390824001 /nfs/dbraw/zinc/82/40/01/1390824001.db2.gz AZBPSMPSIUDBSF-UHFFFAOYSA-N 0 0 336.369 3.076 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001345278166 1390853153 /nfs/dbraw/zinc/85/31/53/1390853153.db2.gz FWNDYEMLSKHPHR-QWRGUYRKSA-N 0 0 349.309 3.012 10 5 EGBERN CC[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345465571 1390861019 /nfs/dbraw/zinc/86/10/19/1390861019.db2.gz JGTDSHOUCXLMTN-LRDDRELGSA-N 0 0 343.383 3.373 10 5 EGBERN CCN(c1nnc(-c2cc([N+](=O)[O-])cc(C)n2)n1CC1CC1)C(C)C ZINC001346533332 1390950455 /nfs/dbraw/zinc/95/04/55/1390950455.db2.gz XGIWRJOZQZFCPJ-UHFFFAOYSA-N 0 0 344.419 3.201 10 5 EGBERN CCCc1[nH]nc(C(=O)OC[C@@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC001346765050 1390978158 /nfs/dbraw/zinc/97/81/58/1390978158.db2.gz KPBYECKIHJVSIT-CYBMUJFWSA-N 0 0 339.392 3.023 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001346788444 1390978899 /nfs/dbraw/zinc/97/88/99/1390978899.db2.gz XOMHMSZMAQWUCG-ZLKJLUDKSA-N 0 0 343.339 3.124 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001348036321 1391163475 /nfs/dbraw/zinc/16/34/75/1391163475.db2.gz ILIFRNCEECJLBV-NGERZBJRSA-N 0 0 342.367 3.235 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001348446899 1391221073 /nfs/dbraw/zinc/22/10/73/1391221073.db2.gz CPEZZQMRUUMEGS-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001348808132 1391270181 /nfs/dbraw/zinc/27/01/81/1391270181.db2.gz JIANYUWSWGNQHW-FZMZJTMJSA-N 0 0 346.408 3.451 10 5 EGBERN COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001348929290 1391285520 /nfs/dbraw/zinc/28/55/20/1391285520.db2.gz ODEWALNZFKCUPJ-UHFFFAOYSA-N 0 0 346.358 3.332 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@@H](F)C1 ZINC001348982895 1391292110 /nfs/dbraw/zinc/29/21/10/1391292110.db2.gz NAEHZTQBXISHHF-VXGBXAGGSA-N 0 0 349.318 3.216 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC001349067545 1391300510 /nfs/dbraw/zinc/30/05/10/1391300510.db2.gz FVGIPLSWWGIDLN-AYYIZTPMSA-N 0 0 328.315 3.484 10 5 EGBERN O=C(OC1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001349676478 1391352131 /nfs/dbraw/zinc/35/21/31/1391352131.db2.gz ZBCYXCYGRNERGQ-UHFFFAOYSA-N 0 0 333.319 3.409 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001350144844 1391420777 /nfs/dbraw/zinc/42/07/77/1391420777.db2.gz SPCFEOOCMKEASA-UHFFFAOYSA-N 0 0 343.339 3.207 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001350190164 1391427212 /nfs/dbraw/zinc/42/72/12/1391427212.db2.gz SLMJXPAZKRCOOP-LBPRGKRZSA-N 0 0 342.351 3.400 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001351310640 1391624674 /nfs/dbraw/zinc/62/46/74/1391624674.db2.gz FBBLNCKFGWNIIV-LBPRGKRZSA-N 0 0 343.314 3.107 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)COC(=O)N2 ZINC001351328851 1391627594 /nfs/dbraw/zinc/62/75/94/1391627594.db2.gz RRSAEFILYAGNSP-UHFFFAOYSA-N 0 0 331.259 3.048 10 5 EGBERN Cc1nc(N2CCc3cc(C(F)(F)F)ccc3C2)ncc1[N+](=O)[O-] ZINC001351362634 1391631589 /nfs/dbraw/zinc/63/15/89/1391631589.db2.gz AHSGLMVQOZGIOX-UHFFFAOYSA-N 0 0 338.289 3.275 10 5 EGBERN COCc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC001351660477 1391666013 /nfs/dbraw/zinc/66/60/13/1391666013.db2.gz BVQVDQGULDGAAF-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(Cl)c1[O-] ZINC001351887496 1391710600 /nfs/dbraw/zinc/71/06/00/1391710600.db2.gz LDYHJASNUGFYOK-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN Cc1cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccc1F ZINC001352182798 1391769836 /nfs/dbraw/zinc/76/98/36/1391769836.db2.gz FLXLXYMXAKUTOJ-UHFFFAOYSA-N 0 0 334.322 3.430 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Oc1ccc2c(c1)OCCCO2 ZINC001352352521 1391786892 /nfs/dbraw/zinc/78/68/92/1391786892.db2.gz FGGIMODKEPOFCG-UHFFFAOYSA-N 0 0 347.298 3.043 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)COc2ccccc2O1 ZINC001352635475 1391827170 /nfs/dbraw/zinc/82/71/70/1391827170.db2.gz YALLARINMLQBSD-QGZVFWFLSA-N 0 0 328.324 3.072 10 5 EGBERN COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001352659626 1391829876 /nfs/dbraw/zinc/82/98/76/1391829876.db2.gz HRDOWGZDEWSHBR-AWEZNQCLSA-N 0 0 326.352 3.347 10 5 EGBERN CCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001352720439 1391835467 /nfs/dbraw/zinc/83/54/67/1391835467.db2.gz CIPWECJXFRXXBF-UHFFFAOYSA-N 0 0 329.331 3.221 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nccc(-c3ccccc3)n2)n1 ZINC001352812439 1391853053 /nfs/dbraw/zinc/85/30/53/1391853053.db2.gz PRWDZIFTPQOQGZ-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CC(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001352895343 1391873733 /nfs/dbraw/zinc/87/37/33/1391873733.db2.gz JRSKCJAIAJCZGG-UHFFFAOYSA-N 0 0 334.715 3.426 10 5 EGBERN Cc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1-n1cccn1 ZINC001353901437 1392106937 /nfs/dbraw/zinc/10/69/37/1392106937.db2.gz SUHXCXAPIYJMKJ-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1coc(=O)c2ccccc12 ZINC001354533385 1392150967 /nfs/dbraw/zinc/15/09/67/1392150967.db2.gz LZZJKFPHRQNQSD-UHFFFAOYSA-N 0 0 325.276 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N3CCCC3)c2)n1 ZINC001354658600 1392159434 /nfs/dbraw/zinc/15/94/34/1392159434.db2.gz QFGZTTITMRKAEZ-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354802604 1392170183 /nfs/dbraw/zinc/17/01/83/1392170183.db2.gz UBUIZWOKYGPZJS-DLBZAZTESA-N 0 0 334.416 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccco3)cs2)n1 ZINC001354920113 1392177602 /nfs/dbraw/zinc/17/76/02/1392177602.db2.gz GGAFHYIUEIBFIM-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN COc1ccccc1C(F)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001355003373 1392184565 /nfs/dbraw/zinc/18/45/65/1392184565.db2.gz FUKFXZLTOAOJPD-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001355066750 1392190741 /nfs/dbraw/zinc/19/07/41/1392190741.db2.gz PKBFLZFISPFMCK-CHWSQXEVSA-N 0 0 334.372 3.210 10 5 EGBERN C[C@@H](NC(=O)NCC1([C@@H](C)CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001479297846 1392207192 /nfs/dbraw/zinc/20/71/92/1392207192.db2.gz WETDYDKOFLCBMI-UONOGXRCSA-N 0 0 349.431 3.144 10 5 EGBERN CC1(C(=O)NCCN(Cc2csc([N+](=O)[O-])c2)C2CC2)CC=CC1 ZINC001481184410 1393144267 /nfs/dbraw/zinc/14/42/67/1393144267.db2.gz HLNVYPLFCJFFAW-UHFFFAOYSA-N 0 0 349.456 3.093 10 5 EGBERN CN(CCNC(=O)CC1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001690970635 1404878247 /nfs/dbraw/zinc/87/82/47/1404878247.db2.gz HNTKYLSYENNDCJ-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001695510509 1406095548 /nfs/dbraw/zinc/09/55/48/1406095548.db2.gz KEKSCNVGWJTSBQ-TZMCWYRMSA-N 0 0 347.394 3.448 10 5 EGBERN CCN(CCNC(=O)c1ccccc1C)Cc1csc([N+](=O)[O-])c1 ZINC001713479757 1418165437 /nfs/dbraw/zinc/16/54/37/1418165437.db2.gz AOCGJVMRDDHVBB-UHFFFAOYSA-N 0 0 347.440 3.217 10 5 EGBERN CCC(=O)NCc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001717269448 1421224869 /nfs/dbraw/zinc/22/48/69/1421224869.db2.gz NWHLHJHHQGXBQY-UHFFFAOYSA-N 0 0 339.395 3.137 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC(C)C ZINC001730964054 1427185521 /nfs/dbraw/zinc/18/55/21/1427185521.db2.gz AUTMQJXPHBHZIK-UHFFFAOYSA-N 0 0 333.392 3.287 10 5 EGBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001745459852 1439775674 /nfs/dbraw/zinc/77/56/74/1439775674.db2.gz IVVMLHJTLGJEFY-DOMZBBRYSA-N 0 0 347.394 3.448 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC23CCC3)c1 ZINC000368512036 168366258 /nfs/dbraw/zinc/36/62/58/168366258.db2.gz PASRJHILAJRGBI-UHFFFAOYSA-N 0 0 348.783 3.095 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000175462989 231450892 /nfs/dbraw/zinc/45/08/92/231450892.db2.gz TZADREXHSBUITI-CMPLNLGQSA-N 0 0 326.443 3.465 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](C)[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190885450 529612614 /nfs/dbraw/zinc/61/26/14/529612614.db2.gz VOCYRRZQRCMGIO-DAXOMENPSA-N 0 0 335.404 3.112 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000369720840 168469169 /nfs/dbraw/zinc/46/91/69/168469169.db2.gz BLJZKUSOMBQLOP-GFCCVEGCSA-N 0 0 334.763 3.339 10 5 EGBERN COc1ccc(Oc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040660463 213365274 /nfs/dbraw/zinc/36/52/74/213365274.db2.gz DFLXMVGAHRRUAR-UHFFFAOYSA-N 0 0 340.295 3.373 10 5 EGBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)n1cncn1 ZINC000069594387 215490377 /nfs/dbraw/zinc/49/03/77/215490377.db2.gz WNHDKPXVTRLLSU-BDAKNGLRSA-N 0 0 340.181 3.010 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ncn(C2CCCCC2)n1 ZINC000182698552 234724193 /nfs/dbraw/zinc/72/41/93/234724193.db2.gz RAFZQAUSLMWYGU-UHFFFAOYSA-N 0 0 343.387 3.263 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccnc3nc(Cc4ccccc4)nn32)c1 ZINC000072451384 216239575 /nfs/dbraw/zinc/23/95/75/216239575.db2.gz ZLRPVYDSVFYADI-UHFFFAOYSA-N 0 0 331.335 3.290 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000193443679 240165737 /nfs/dbraw/zinc/16/57/37/240165737.db2.gz WUVOWBDWQSYSJF-AWEZNQCLSA-N 0 0 342.399 3.267 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000075292469 216605458 /nfs/dbraw/zinc/60/54/58/216605458.db2.gz XVSCMKFZQQYIEA-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3ncsc3Cl)no2)cc1 ZINC000361359913 241936562 /nfs/dbraw/zinc/93/65/62/241936562.db2.gz ISYUXSPKASSBPJ-UHFFFAOYSA-N 0 0 338.732 3.334 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ncsc2Cl)no1 ZINC000361360489 241936843 /nfs/dbraw/zinc/93/68/43/241936843.db2.gz QXWUSDNHHPMCDU-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000114557770 284099936 /nfs/dbraw/zinc/09/99/36/284099936.db2.gz QOHTZHQJRXTZDD-QGZVFWFLSA-N 0 0 332.404 3.233 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000078459261 217055316 /nfs/dbraw/zinc/05/53/16/217055316.db2.gz PEDFUEMUFBBSDZ-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN Cc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(N)c([N+](=O)[O-])c1 ZINC000264189069 246159455 /nfs/dbraw/zinc/15/94/55/246159455.db2.gz BLDNGXIJIZIEGP-VTXSZYRJSA-N 0 0 329.400 3.136 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC(C3CCOCC3)CC2)s1 ZINC000376455777 168908165 /nfs/dbraw/zinc/90/81/65/168908165.db2.gz SANFVYPCRZYOIE-UHFFFAOYSA-N 0 0 348.428 3.243 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378384613 169111667 /nfs/dbraw/zinc/11/16/67/169111667.db2.gz BURXZINNHMNRQS-RDJZCZTQSA-N 0 0 326.352 3.102 10 5 EGBERN CNC(=O)c1ccc(N2CC=C(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000378431287 169119277 /nfs/dbraw/zinc/11/92/77/169119277.db2.gz FKAJSYCYZDCQCH-UHFFFAOYSA-N 0 0 337.379 3.166 10 5 EGBERN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])o1 ZINC000378546849 169138175 /nfs/dbraw/zinc/13/81/75/169138175.db2.gz GBZRZNKOQLYYFF-ZDUSSCGKSA-N 0 0 344.371 3.307 10 5 EGBERN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2ncccc21 ZINC000011521079 211220763 /nfs/dbraw/zinc/22/07/63/211220763.db2.gz JCLVQRSFMRGTNH-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCCCCCC1 ZINC000009957766 211137720 /nfs/dbraw/zinc/13/77/20/211137720.db2.gz RNYRMPFOOZKVSM-VOTSOKGWSA-N 0 0 346.383 3.267 10 5 EGBERN COc1cc(NCc2cccc(-c3nc[nH]n3)c2)c([N+](=O)[O-])cc1F ZINC000095412053 218348880 /nfs/dbraw/zinc/34/88/80/218348880.db2.gz KPTXCVDPXVNUEF-UHFFFAOYSA-N 0 0 343.318 3.140 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1ccsc1 ZINC000095442355 218386454 /nfs/dbraw/zinc/38/64/54/218386454.db2.gz VLTJSNHBMYKVLQ-UHFFFAOYSA-N 0 0 329.381 3.039 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1Cn1ccnc1 ZINC000267386456 251008263 /nfs/dbraw/zinc/00/82/63/251008263.db2.gz MLUCGWJMEDQYET-GFCCVEGCSA-N 0 0 340.305 3.479 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCO[C@]2(CCCOC2)C1 ZINC000408108770 285088123 /nfs/dbraw/zinc/08/81/23/285088123.db2.gz BKWORTCQKAKNRL-CQSZACIVSA-N 0 0 347.198 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCCOC3)c(Br)c1 ZINC000376482054 285130782 /nfs/dbraw/zinc/13/07/82/285130782.db2.gz ZVKODGGQUPPUFK-AWEZNQCLSA-N 0 0 341.205 3.364 10 5 EGBERN COc1cccc([C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)c1 ZINC000154212136 224219550 /nfs/dbraw/zinc/21/95/50/224219550.db2.gz JSZCGWPVGUDSAS-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN COc1cccc([C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)c1 ZINC000119040476 221229894 /nfs/dbraw/zinc/22/98/94/221229894.db2.gz ZXWRTGQCYYBBJL-OAHLLOKOSA-N 0 0 334.397 3.238 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066787 221236437 /nfs/dbraw/zinc/23/64/37/221236437.db2.gz UGJHQWLHUMYTLY-SFHVURJKSA-N 0 0 328.368 3.177 10 5 EGBERN COc1cc(OC)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000119706937 221383307 /nfs/dbraw/zinc/38/33/07/221383307.db2.gz WOKYOZBPOPXAKT-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000119712179 221384455 /nfs/dbraw/zinc/38/44/55/221384455.db2.gz XNAQSGUDZCHJCP-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN CC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc21 ZINC000338014318 141073782 /nfs/dbraw/zinc/07/37/82/141073782.db2.gz SZFGHPRVRJLJCL-UHFFFAOYSA-N 0 0 339.351 3.065 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338140712 141101186 /nfs/dbraw/zinc/10/11/86/141101186.db2.gz AEPOIQYBKXLTDC-UHFFFAOYSA-N 0 0 345.399 3.404 10 5 EGBERN COc1ccc(CN[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000339454123 141114236 /nfs/dbraw/zinc/11/42/36/141114236.db2.gz AEUXKTFZOUMAFC-LLVKDONJSA-N 0 0 347.318 3.453 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC000341264546 141147104 /nfs/dbraw/zinc/14/71/04/141147104.db2.gz QMSODWQDIPVUBK-JTQLQIEISA-N 0 0 340.314 3.168 10 5 EGBERN COc1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000350688126 141260522 /nfs/dbraw/zinc/26/05/22/141260522.db2.gz BBIVMRMJMVCLSG-UHFFFAOYSA-N 0 0 333.266 3.067 10 5 EGBERN Cc1cccc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000350766317 141265693 /nfs/dbraw/zinc/26/56/93/141265693.db2.gz AQIIMQWLMSMHOP-UHFFFAOYSA-N 0 0 327.308 3.155 10 5 EGBERN Cc1c(C(=O)NC(C)(C)C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000350786521 141267009 /nfs/dbraw/zinc/26/70/09/141267009.db2.gz MSIJMYITJCRUHZ-UHFFFAOYSA-N 0 0 345.403 3.038 10 5 EGBERN Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1C1CCC1 ZINC000352932905 141271101 /nfs/dbraw/zinc/27/11/01/141271101.db2.gz VSZALGGTAQSWIQ-UHFFFAOYSA-N 0 0 344.400 3.159 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354694373 141320339 /nfs/dbraw/zinc/32/03/39/141320339.db2.gz ALFHNZYJQUVRPM-MCIONIFRSA-N 0 0 329.400 3.443 10 5 EGBERN CCOc1ccc(-c2nc(-c3cccc(C)n3)no2)cc1[N+](=O)[O-] ZINC000356226903 141323264 /nfs/dbraw/zinc/32/32/64/141323264.db2.gz XMWRQDXPSCKHGK-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000356287139 141336437 /nfs/dbraw/zinc/33/64/37/141336437.db2.gz UEROVZDSUIZHIV-UHFFFAOYSA-N 0 0 349.412 3.078 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000356337486 141342955 /nfs/dbraw/zinc/34/29/55/141342955.db2.gz CLLURVLZYIKAHZ-NSHDSACASA-N 0 0 336.413 3.148 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000356832256 141350706 /nfs/dbraw/zinc/35/07/06/141350706.db2.gz KFJJNZSCPDEPRK-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000162521088 142596342 /nfs/dbraw/zinc/59/63/42/142596342.db2.gz WOYHBQFSSYCIDF-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN O=C(N[C@@H]1CCc2c1cccc2O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000111604002 143949969 /nfs/dbraw/zinc/94/99/69/143949969.db2.gz PAVLLVKYWCBTNY-MRXNPFEDSA-N 0 0 337.335 3.199 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646557 144008718 /nfs/dbraw/zinc/00/87/18/144008718.db2.gz IPTDNTAHLGBNBN-PSKZRQQASA-N 0 0 343.408 3.471 10 5 EGBERN Cn1cc(-c2cc(COc3c(Cl)cccc3[N+](=O)[O-])on2)cn1 ZINC000184020358 144083905 /nfs/dbraw/zinc/08/39/05/144083905.db2.gz JONSDZRACCWCIK-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN COC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000185182488 144106068 /nfs/dbraw/zinc/10/60/68/144106068.db2.gz AJACHBJOPMKRBO-UHFFFAOYSA-N 0 0 348.399 3.147 10 5 EGBERN COc1cc2c(cc1F)ncnc2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000185736617 144117906 /nfs/dbraw/zinc/11/79/06/144117906.db2.gz DFEMODSTRFYLJM-UHFFFAOYSA-N 0 0 342.330 3.322 10 5 EGBERN COC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000351722099 144296491 /nfs/dbraw/zinc/29/64/91/144296491.db2.gz USOKTNSKWYOGSI-MRXNPFEDSA-N 0 0 340.301 3.489 10 5 EGBERN COc1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000361626668 144339489 /nfs/dbraw/zinc/33/94/89/144339489.db2.gz YANSKYQQVQCRTO-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](COc3ccccc3)C2)c(F)c1 ZINC000361660566 144345766 /nfs/dbraw/zinc/34/57/66/144345766.db2.gz LBEZDFRVQJMADG-QGZVFWFLSA-N 0 0 346.358 3.014 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCCC2)c2ncccc12 ZINC000361715369 144353816 /nfs/dbraw/zinc/35/38/16/144353816.db2.gz PQXLPXBPYYDOQC-UHFFFAOYSA-N 0 0 349.412 3.002 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cc2cccnc21 ZINC000341164393 155200779 /nfs/dbraw/zinc/20/07/79/155200779.db2.gz FIBMSIIUESPPAX-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc2cccnc21 ZINC000341211520 155210225 /nfs/dbraw/zinc/21/02/25/155210225.db2.gz OKIMBSBSZJFEQN-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000341301643 155235344 /nfs/dbraw/zinc/23/53/44/155235344.db2.gz YNHMUBNNVJCNFX-VXGBXAGGSA-N 0 0 332.331 3.379 10 5 EGBERN COc1cc(N2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000268259415 286229990 /nfs/dbraw/zinc/22/99/90/286229990.db2.gz YWTOPFQTEDIFCD-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000116147923 152046005 /nfs/dbraw/zinc/04/60/05/152046005.db2.gz OZIJYRGLFAIONM-UHFFFAOYSA-N 0 0 349.412 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000116352049 152058214 /nfs/dbraw/zinc/05/82/14/152058214.db2.gz KMCIDXMHRBYQRU-CYBMUJFWSA-N 0 0 336.369 3.022 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116420529 152060021 /nfs/dbraw/zinc/06/00/21/152060021.db2.gz KVUPFSDSTQDVLR-CQSZACIVSA-N 0 0 345.355 3.243 10 5 EGBERN COc1ccc(CNc2cc(C(=O)N(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000119270635 152188788 /nfs/dbraw/zinc/18/87/88/152188788.db2.gz DCBSSDSWHSVYCB-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC(F)F ZINC000121052881 152321251 /nfs/dbraw/zinc/32/12/51/152321251.db2.gz VMICNHRYXZFSPH-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN Cc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000122422598 152406479 /nfs/dbraw/zinc/40/64/79/152406479.db2.gz ASUJDMOGIQVHPU-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1noc2nc(C)cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c12 ZINC000122698754 152419168 /nfs/dbraw/zinc/41/91/68/152419168.db2.gz GEPOOGBNLNVARD-UHFFFAOYSA-N 0 0 326.312 3.024 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000176036339 152903252 /nfs/dbraw/zinc/90/32/52/152903252.db2.gz CCOGOYBJXZUHMU-CVEARBPZSA-N 0 0 341.367 3.479 10 5 EGBERN CC(=O)c1ccc(N2CCOC[C@@H]2c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000189138646 153053578 /nfs/dbraw/zinc/05/35/78/153053578.db2.gz KLUYGIOFAUNXAU-OAHLLOKOSA-N 0 0 347.396 3.140 10 5 EGBERN CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000189189748 153055605 /nfs/dbraw/zinc/05/56/05/153055605.db2.gz JCZYIKVGDZCESV-UHFFFAOYSA-N 0 0 346.427 3.478 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000189805056 153098436 /nfs/dbraw/zinc/09/84/36/153098436.db2.gz AYFUTILGIQRNRF-LBPRGKRZSA-N 0 0 338.385 3.153 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000189863536 153102982 /nfs/dbraw/zinc/10/29/82/153102982.db2.gz OVQWBNSYWSSTJI-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN O=[N+]([O-])c1cnn(CCN(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191241777 153182634 /nfs/dbraw/zinc/18/26/34/153182634.db2.gz MZUJJRDRRAOEPY-UHFFFAOYSA-N 0 0 342.321 3.246 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000192645207 153253061 /nfs/dbraw/zinc/25/30/61/153253061.db2.gz UCSGNQJLXKVVHK-OAHLLOKOSA-N 0 0 325.368 3.146 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194852482 153362313 /nfs/dbraw/zinc/36/23/13/153362313.db2.gz KYXIRNKEMVAZLC-OAHLLOKOSA-N 0 0 343.339 3.425 10 5 EGBERN COc1ccc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000327213532 154186305 /nfs/dbraw/zinc/18/63/05/154186305.db2.gz OOFAMELCNWAAGL-UHFFFAOYSA-N 0 0 342.355 3.143 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337442155 154354834 /nfs/dbraw/zinc/35/48/34/154354834.db2.gz KDVMYBFVRABFNL-CQSZACIVSA-N 0 0 334.351 3.077 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337442154 154355604 /nfs/dbraw/zinc/35/56/04/154355604.db2.gz KDVMYBFVRABFNL-AWEZNQCLSA-N 0 0 334.351 3.077 10 5 EGBERN CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000337641746 154464941 /nfs/dbraw/zinc/46/49/41/154464941.db2.gz YLBBFUMRTGEQPR-INIZCTEOSA-N 0 0 341.367 3.114 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000338337597 154669371 /nfs/dbraw/zinc/66/93/71/154669371.db2.gz XKCUGEJIWKRRPI-UHFFFAOYSA-N 0 0 341.367 3.306 10 5 EGBERN COc1cccc(N2CCc3ccc(C(C)=O)cc3CC2)c1[N+](=O)[O-] ZINC000363709322 286458207 /nfs/dbraw/zinc/45/82/07/286458207.db2.gz VKGQSZHDBSFTRO-UHFFFAOYSA-N 0 0 340.379 3.411 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000339685641 154928476 /nfs/dbraw/zinc/92/84/76/154928476.db2.gz AXTJOVCSYNKCBO-MRXNPFEDSA-N 0 0 343.383 3.144 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](c3cccnc3)C3CC3)cc2N1 ZINC000340081491 155093209 /nfs/dbraw/zinc/09/32/09/155093209.db2.gz FCYSNLSUXLDBMV-GOSISDBHSA-N 0 0 338.367 3.438 10 5 EGBERN Cc1cc(NCc2noc(C3CC3)n2)c2cccc([N+](=O)[O-])c2n1 ZINC000345079090 155924177 /nfs/dbraw/zinc/92/41/77/155924177.db2.gz FZWRSXPOCGVDCU-UHFFFAOYSA-N 0 0 325.328 3.324 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3coc(C4CCCC4)n3)n2)nc1 ZINC000346864060 156168991 /nfs/dbraw/zinc/16/89/91/156168991.db2.gz FAKUUTVFXRANFE-UHFFFAOYSA-N 0 0 341.327 3.276 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000349016847 156320023 /nfs/dbraw/zinc/32/00/23/156320023.db2.gz WOELQOMBUVFWCF-HNNXBMFYSA-N 0 0 344.415 3.389 10 5 EGBERN CCOc1cccc(NC[C@H](C(=O)OC)c2ccccc2)c1[N+](=O)[O-] ZINC000358253704 156774237 /nfs/dbraw/zinc/77/42/37/156774237.db2.gz GZNARFWLFIHODF-AWEZNQCLSA-N 0 0 344.367 3.362 10 5 EGBERN CC1CCC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066000783 161576158 /nfs/dbraw/zinc/57/61/58/161576158.db2.gz IICGOAWLJGUOFX-UHFFFAOYSA-N 0 0 344.458 3.388 10 5 EGBERN CC[C@H](NC(=O)Cc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000090466778 161912530 /nfs/dbraw/zinc/91/25/30/161912530.db2.gz SENYILFFZLZDTK-INIZCTEOSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000125713217 162286239 /nfs/dbraw/zinc/28/62/39/162286239.db2.gz KTDHUMCBRVEADB-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cc1sc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000130730079 162378486 /nfs/dbraw/zinc/37/84/86/162378486.db2.gz DFURWDXPNPCFTD-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=c1ccn(Cc2ncc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000130919709 162384698 /nfs/dbraw/zinc/38/46/98/162384698.db2.gz RNNWWHVQEVUSFM-UHFFFAOYSA-N 0 0 331.715 3.113 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(N2CCCC2=O)ccc1F ZINC000131095528 162390967 /nfs/dbraw/zinc/39/09/67/162390967.db2.gz AJRNUNJUWBGUHL-UHFFFAOYSA-N 0 0 343.314 3.113 10 5 EGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000131141264 162392341 /nfs/dbraw/zinc/39/23/41/162392341.db2.gz HEPQLANDGBOVEI-NSHDSACASA-N 0 0 338.371 3.244 10 5 EGBERN Nc1c(C(=O)N2CC=C(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000137328485 162541288 /nfs/dbraw/zinc/54/12/88/162541288.db2.gz JWJYFLSAQCQWKY-UHFFFAOYSA-N 0 0 341.342 3.246 10 5 EGBERN CSc1ccc(C(=O)N2CCOc3nc(C)ccc32)cc1[N+](=O)[O-] ZINC000180475341 162745171 /nfs/dbraw/zinc/74/51/71/162745171.db2.gz UUGCGMBUNGXGLZ-UHFFFAOYSA-N 0 0 345.380 3.059 10 5 EGBERN Nc1c(C(=O)NCc2ccc(C(F)F)cc2)cc(F)cc1[N+](=O)[O-] ZINC000185408611 162843381 /nfs/dbraw/zinc/84/33/81/162843381.db2.gz IMSQUOMVOYGXHJ-UHFFFAOYSA-N 0 0 339.273 3.184 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413297 163003272 /nfs/dbraw/zinc/00/32/72/163003272.db2.gz FZDBRPDBYOFNFV-VNQPRFMTSA-N 0 0 340.807 3.017 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000338492452 163244816 /nfs/dbraw/zinc/24/48/16/163244816.db2.gz WFFRMWXLIDXMRA-BXKDBHETSA-N 0 0 326.443 3.086 10 5 EGBERN Cc1nc2ccccn2c(=O)c1CCSc1cccc([N+](=O)[O-])c1 ZINC000338568921 163277044 /nfs/dbraw/zinc/27/70/44/163277044.db2.gz OKUKZAIFXIRMMF-UHFFFAOYSA-N 0 0 341.392 3.246 10 5 EGBERN Cc1cc(F)c(S(=O)(=O)Cc2csc([N+](=O)[O-])c2)cc1F ZINC000338613703 163293109 /nfs/dbraw/zinc/29/31/09/163293109.db2.gz RGBSSXILUFWOJZ-UHFFFAOYSA-N 0 0 333.337 3.217 10 5 EGBERN CCSCC[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342357043 163857302 /nfs/dbraw/zinc/85/73/02/163857302.db2.gz DJALVJZENRSLMR-VIFPVBQESA-N 0 0 332.372 3.063 10 5 EGBERN Cc1sc(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000342575046 163913338 /nfs/dbraw/zinc/91/33/38/163913338.db2.gz VOHXIWYAVNFCBI-VIFPVBQESA-N 0 0 338.410 3.230 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960090 164073124 /nfs/dbraw/zinc/07/31/24/164073124.db2.gz HTSMDJBEMPLUHC-OCCSQVGLSA-N 0 0 347.415 3.052 10 5 EGBERN CCCOc1cccc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)c1 ZINC000346231681 164360826 /nfs/dbraw/zinc/36/08/26/164360826.db2.gz XZTVFUUUZWREOX-UHFFFAOYSA-N 0 0 343.343 3.317 10 5 EGBERN COc1ccc2[nH]c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)cc2c1 ZINC000346585474 164402442 /nfs/dbraw/zinc/40/24/42/164402442.db2.gz FFOXSMUILNRKIK-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)Cc3ccccc3)no2)n1 ZINC000347173314 164455224 /nfs/dbraw/zinc/45/52/24/164455224.db2.gz MFVDYTNKIWSRHJ-UHFFFAOYSA-N 0 0 341.371 3.382 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc4c(c3)OCCO4)c2)c1 ZINC000347540342 164517577 /nfs/dbraw/zinc/51/75/77/164517577.db2.gz XBYNJABEAXZIBX-UHFFFAOYSA-N 0 0 337.335 3.278 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(C3CCOCC3)no2)ccc1OC(F)F ZINC000349877693 164965889 /nfs/dbraw/zinc/96/58/89/164965889.db2.gz KRDLZUROGXNOQN-UHFFFAOYSA-N 0 0 341.270 3.140 10 5 EGBERN COc1cc(CN2CCO[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000352417935 165390680 /nfs/dbraw/zinc/39/06/80/165390680.db2.gz WICPNNVDIMYJLQ-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000355164216 166121201 /nfs/dbraw/zinc/12/12/01/166121201.db2.gz CGZMLVJXZZIZEV-ZDUSSCGKSA-N 0 0 338.429 3.348 10 5 EGBERN COC1CCC(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000355238552 166143823 /nfs/dbraw/zinc/14/38/23/166143823.db2.gz YWHGAOVYGGBKEP-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000355823747 166320745 /nfs/dbraw/zinc/32/07/45/166320745.db2.gz ZQMDIBGKKHJGFV-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN Cc1cccnc1-c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000355838225 166323928 /nfs/dbraw/zinc/32/39/28/166323928.db2.gz IWDIGBJRAVCFEH-UHFFFAOYSA-N 0 0 339.355 3.393 10 5 EGBERN COc1cc(OCc2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000355947736 166357188 /nfs/dbraw/zinc/35/71/88/166357188.db2.gz KETLYAVNEWGZTQ-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN CC(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCCc2cccnc21 ZINC000356017426 166375625 /nfs/dbraw/zinc/37/56/25/166375625.db2.gz XOOZFCBJGWAFMR-MRXNPFEDSA-N 0 0 342.399 3.494 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000356029563 166379176 /nfs/dbraw/zinc/37/91/76/166379176.db2.gz BSOFNBKWWWUASE-UHFFFAOYSA-N 0 0 337.339 3.307 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)F ZINC000356659936 166477412 /nfs/dbraw/zinc/47/74/12/166477412.db2.gz FBQLVJJDOKDTBX-ZETCQYMHSA-N 0 0 333.157 3.144 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357463965 166687936 /nfs/dbraw/zinc/68/79/36/166687936.db2.gz FTUAFOCSQGRDMV-ZJUUUORDSA-N 0 0 328.328 3.409 10 5 EGBERN COc1ccc(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000357564651 166712015 /nfs/dbraw/zinc/71/20/15/166712015.db2.gz NQKSBFYHZSWDAR-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(C(F)(F)F)CCCCC1 ZINC000358122640 166838882 /nfs/dbraw/zinc/83/88/82/166838882.db2.gz ZAAKQAMMZIGGEQ-UHFFFAOYSA-N 0 0 331.294 3.293 10 5 EGBERN O=C(NC[C@H]1CC=CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358905605 167000721 /nfs/dbraw/zinc/00/07/21/167000721.db2.gz OENIHRYQUCYUKF-JTQLQIEISA-N 0 0 326.299 3.282 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000358909341 167002345 /nfs/dbraw/zinc/00/23/45/167002345.db2.gz WWLCZDZKQFDMMP-IRXDYDNUSA-N 0 0 340.379 3.066 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000359094953 167065190 /nfs/dbraw/zinc/06/51/90/167065190.db2.gz LVUWCTVFMHVIDS-ZDUSSCGKSA-N 0 0 338.371 3.360 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2nc3ccc(F)cc3n2C)n1 ZINC000359102654 167067248 /nfs/dbraw/zinc/06/72/48/167067248.db2.gz STCIZGXTLRPQEF-UHFFFAOYSA-N 0 0 343.362 3.287 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1scnc1C1CC1 ZINC000359135494 167076969 /nfs/dbraw/zinc/07/69/69/167076969.db2.gz FTJIUUHCEVMBPA-UHFFFAOYSA-N 0 0 331.397 3.243 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000359389913 167143870 /nfs/dbraw/zinc/14/38/70/167143870.db2.gz NYWFZAWNIFODCI-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359871442 167254010 /nfs/dbraw/zinc/25/40/10/167254010.db2.gz GCFPGBYLNXWCFQ-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000361785779 167651360 /nfs/dbraw/zinc/65/13/60/167651360.db2.gz IIMHFVVSZKXXHZ-NSHDSACASA-N 0 0 343.387 3.397 10 5 EGBERN CCc1cnc(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000361934437 167704048 /nfs/dbraw/zinc/70/40/48/167704048.db2.gz MYKJYPPTNFZQHJ-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN CC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373645709 287212400 /nfs/dbraw/zinc/21/24/00/287212400.db2.gz UABLMSLHGYJWIL-DOMZBBRYSA-N 0 0 326.780 3.023 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000364772110 167984028 /nfs/dbraw/zinc/98/40/28/167984028.db2.gz AZCNVUXOIYOPGV-OAHLLOKOSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366128571 168086345 /nfs/dbraw/zinc/08/63/45/168086345.db2.gz SHJPYSHOIVEGJJ-BDJLRTHQSA-N 0 0 329.331 3.352 10 5 EGBERN O=C([C@@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000366675531 168128945 /nfs/dbraw/zinc/12/89/45/168128945.db2.gz SYYJCROUUJALLC-OCCSQVGLSA-N 0 0 335.379 3.327 10 5 EGBERN O=C([C@H]1CC12CCN(c1ccc([N+](=O)[O-])cc1)CC2)N1CCCCC1 ZINC000367511192 168235274 /nfs/dbraw/zinc/23/52/74/168235274.db2.gz XNPLEQJSMHNCJX-QGZVFWFLSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368064410 168306386 /nfs/dbraw/zinc/30/63/86/168306386.db2.gz TXOZNLWCFOQYBH-DIFFPNOSSA-N 0 0 347.371 3.464 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000161488091 225637404 /nfs/dbraw/zinc/63/74/04/225637404.db2.gz IPRZNYNSYVLNCC-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN COC(C)(C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000170969707 226816039 /nfs/dbraw/zinc/81/60/39/226816039.db2.gz QVUDFRDEJDBWPQ-UHFFFAOYSA-N 0 0 335.385 3.390 10 5 EGBERN COc1ccc(F)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000088535713 264703771 /nfs/dbraw/zinc/70/37/71/264703771.db2.gz OBCKOSPMHKXQJT-UHFFFAOYSA-N 0 0 344.302 3.405 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)s1 ZINC000089396844 264710045 /nfs/dbraw/zinc/71/00/45/264710045.db2.gz PFTQJWQWPDWJSH-ZETCQYMHSA-N 0 0 325.777 3.383 10 5 EGBERN Nc1c(C(=O)N2CC3(CC3)c3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC000172576083 264946427 /nfs/dbraw/zinc/94/64/27/264946427.db2.gz NMGZHDYSVKRADC-UHFFFAOYSA-N 0 0 327.315 3.008 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175545628 265120664 /nfs/dbraw/zinc/12/06/64/265120664.db2.gz VVTJVMYWRIYXLV-UHFFFAOYSA-N 0 0 340.713 3.499 10 5 EGBERN CCC(CC)[C@H](O)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176706686 265197826 /nfs/dbraw/zinc/19/78/26/265197826.db2.gz FYEUSOCLUAMRTM-HZPDHXFCSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@@H](NC(=O)CSCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177812854 265278785 /nfs/dbraw/zinc/27/87/85/265278785.db2.gz JQKBNBHCLPCEMH-MRXNPFEDSA-N 0 0 345.424 3.491 10 5 EGBERN CC[C@@H](NC(=O)CNc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177813500 265278994 /nfs/dbraw/zinc/27/89/94/265278994.db2.gz BEPYYYRALHNKFY-OAHLLOKOSA-N 0 0 343.383 3.283 10 5 EGBERN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000183405703 265441215 /nfs/dbraw/zinc/44/12/15/265441215.db2.gz HPVHGZCFFOMDJG-CJNGLKHVSA-N 0 0 335.404 3.012 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)n2C ZINC000184473762 265465970 /nfs/dbraw/zinc/46/59/70/265465970.db2.gz FIBOUFLIFWMQKN-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000191548582 265911935 /nfs/dbraw/zinc/91/19/35/265911935.db2.gz SAQHLBDXZJHTQF-INIZCTEOSA-N 0 0 342.399 3.473 10 5 EGBERN C[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193749811 266058527 /nfs/dbraw/zinc/05/85/27/266058527.db2.gz MJKZMLAARVAFAT-HZMBPMFUSA-N 0 0 327.340 3.064 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193749796 266058848 /nfs/dbraw/zinc/05/88/48/266058848.db2.gz MJKZMLAARVAFAT-YGRLFVJLSA-N 0 0 327.340 3.064 10 5 EGBERN CCN(c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194392506 266113276 /nfs/dbraw/zinc/11/32/76/266113276.db2.gz IQWZJUONKPIRIY-UHFFFAOYSA-N 0 0 326.399 3.180 10 5 EGBERN CCOc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000194451908 266119257 /nfs/dbraw/zinc/11/92/57/266119257.db2.gz WEGPBNKLEDPRHY-LLVKDONJSA-N 0 0 329.356 3.188 10 5 EGBERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270856511 266567699 /nfs/dbraw/zinc/56/76/99/266567699.db2.gz ZACBDPRGJNPAAD-YPMHNXCESA-N 0 0 346.387 3.097 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000273567349 267059954 /nfs/dbraw/zinc/05/99/54/267059954.db2.gz IIWKLAFHXGQLRG-ZIAGYGMSSA-N 0 0 346.383 3.210 10 5 EGBERN C[C@@H](c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000273930140 267144963 /nfs/dbraw/zinc/14/49/63/267144963.db2.gz IMOLLFGLZOCPIH-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN CCc1cc(N2CCC(=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275372699 267352222 /nfs/dbraw/zinc/35/22/22/267352222.db2.gz NQYWUWUBGGLIOY-LBPRGKRZSA-N 0 0 340.383 3.030 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000159746240 287675956 /nfs/dbraw/zinc/67/59/56/287675956.db2.gz ASGRPJNGJOTOBG-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@@H]1C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000279246404 275315814 /nfs/dbraw/zinc/31/58/14/275315814.db2.gz HOJSHYPRVSRFCY-UNEWFSDZSA-N 0 0 349.431 3.381 10 5 EGBERN Cc1c(NCc2ccn(C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000280312766 275435812 /nfs/dbraw/zinc/43/58/12/275435812.db2.gz CMAYLCXVYRYXRZ-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000281237784 275532776 /nfs/dbraw/zinc/53/27/76/275532776.db2.gz CHNKPJCSAAVQCK-AWEZNQCLSA-N 0 0 348.790 3.349 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccc(F)cc2O1 ZINC000370630677 275866641 /nfs/dbraw/zinc/86/66/41/275866641.db2.gz XDFSNURSBJXFJL-AWEZNQCLSA-N 0 0 345.330 3.161 10 5 EGBERN COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570716 276017915 /nfs/dbraw/zinc/01/79/15/276017915.db2.gz POPWHXZFOKIQQU-QMTHXVAHSA-N 0 0 346.305 3.083 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ccc(N)cc3[N+](=O)[O-])C2)c1 ZINC000288025041 276176623 /nfs/dbraw/zinc/17/66/23/276176623.db2.gz SVQTUXQPKAIGCC-ZDUSSCGKSA-N 0 0 342.399 3.124 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000288743293 276247741 /nfs/dbraw/zinc/24/77/41/276247741.db2.gz ICERRQYJBDSNKY-DYVFJYSZSA-N 0 0 343.383 3.455 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](C2CC2)C1 ZINC000290829786 276547429 /nfs/dbraw/zinc/54/74/29/276547429.db2.gz HLVOMEWLHXDJGJ-ZDUSSCGKSA-N 0 0 325.368 3.405 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000183635288 276628871 /nfs/dbraw/zinc/62/88/71/276628871.db2.gz BAUGGGSKGUKMCI-AWEZNQCLSA-N 0 0 345.424 3.397 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291726506 276682525 /nfs/dbraw/zinc/68/25/25/276682525.db2.gz RLSJJGVNZMDSMV-ZDUSSCGKSA-N 0 0 342.823 3.094 10 5 EGBERN CCc1nn(C)c(N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000354536407 276705950 /nfs/dbraw/zinc/70/59/50/276705950.db2.gz GRNYLBWZXBXDKO-LYOVBCGYSA-N 0 0 330.388 3.256 10 5 EGBERN CC[C@H]1CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000292029065 276723101 /nfs/dbraw/zinc/72/31/01/276723101.db2.gz YCJNOHVFFXGLLQ-ZETCQYMHSA-N 0 0 339.200 3.075 10 5 EGBERN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1C(C)C ZINC000292619944 276838122 /nfs/dbraw/zinc/83/81/22/276838122.db2.gz MSXVTYOXVSRUIR-UHFFFAOYSA-N 0 0 345.403 3.126 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000089356158 276987304 /nfs/dbraw/zinc/98/73/04/276987304.db2.gz AROVGWBVWQVIFY-GOSISDBHSA-N 0 0 340.379 3.257 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000184260102 277376481 /nfs/dbraw/zinc/37/64/81/277376481.db2.gz XOCHQRBWXBZKGP-AWEZNQCLSA-N 0 0 334.351 3.193 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1C ZINC000187905644 277749135 /nfs/dbraw/zinc/74/91/35/277749135.db2.gz ZWOUFPKIQPYCQZ-GWCFXTLKSA-N 0 0 334.397 3.307 10 5 EGBERN COc1cc2c(cc1F)CN(c1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000346267398 277849828 /nfs/dbraw/zinc/84/98/28/277849828.db2.gz SKGUSBRCQFDYDE-UHFFFAOYSA-N 0 0 348.359 3.014 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O2 ZINC000172717655 277969547 /nfs/dbraw/zinc/96/95/47/277969547.db2.gz LHBGDHUDNFRFRT-GFCCVEGCSA-N 0 0 342.351 3.340 10 5 EGBERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])o2)no1 ZINC000374775161 278072696 /nfs/dbraw/zinc/07/26/96/278072696.db2.gz CTZUARDAEXDKPH-NSHDSACASA-N 0 0 348.359 3.452 10 5 EGBERN CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121124475 278218975 /nfs/dbraw/zinc/21/89/75/278218975.db2.gz MJTCYJWECKIGKI-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000360897784 278539668 /nfs/dbraw/zinc/53/96/68/278539668.db2.gz OSZXQYWMZFEDEB-WDEREUQCSA-N 0 0 345.321 3.196 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCn2c(C(C)C)nnc2[C@H]1C ZINC000188480169 278746074 /nfs/dbraw/zinc/74/60/74/278746074.db2.gz PXXYMEVBEZNIJD-CYBMUJFWSA-N 0 0 329.404 3.195 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000343359256 279012666 /nfs/dbraw/zinc/01/26/66/279012666.db2.gz JSRNLWFVZFIGGH-LBPRGKRZSA-N 0 0 331.372 3.025 10 5 EGBERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000191934423 280053718 /nfs/dbraw/zinc/05/37/18/280053718.db2.gz OCCDTTVHILWELY-PSASIEDQSA-N 0 0 343.177 3.111 10 5 EGBERN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000373772699 288260812 /nfs/dbraw/zinc/26/08/12/288260812.db2.gz REKCPFMOIAYPSW-XHBSWPGZSA-N 0 0 340.807 3.411 10 5 EGBERN Cc1nc2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000360121110 282077772 /nfs/dbraw/zinc/07/77/72/282077772.db2.gz DYLVWTRGJNWKHK-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000173759144 302705478 /nfs/dbraw/zinc/70/54/78/302705478.db2.gz RXERWBLNFNJKJD-GFCCVEGCSA-N 0 0 340.383 3.031 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160592605 304807200 /nfs/dbraw/zinc/80/72/00/304807200.db2.gz VPNSOKAAPBLKDV-MRXNPFEDSA-N 0 0 341.415 3.250 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](C2CC2)C1 ZINC000341026184 304812488 /nfs/dbraw/zinc/81/24/88/304812488.db2.gz BBTIUBGKBHAGAJ-JTQLQIEISA-N 0 0 326.194 3.379 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](CO)C2)nc1-c1ccccc1 ZINC000413599410 309039070 /nfs/dbraw/zinc/03/90/70/309039070.db2.gz BZOSPJKWVICYNQ-ZFWWWQNUSA-N 0 0 327.384 3.042 10 5 EGBERN CCOc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000113035360 307474649 /nfs/dbraw/zinc/47/46/49/307474649.db2.gz SRDMLONRNFJUEG-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115103333 307480467 /nfs/dbraw/zinc/48/04/67/307480467.db2.gz JXORBLFKPDQAJX-HNNXBMFYSA-N 0 0 339.395 3.302 10 5 EGBERN CC(=O)c1ccc(OCc2noc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000120944247 307513346 /nfs/dbraw/zinc/51/33/46/307513346.db2.gz DCPPZSBUYXCCBQ-UHFFFAOYSA-N 0 0 339.307 3.426 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000413978558 309055087 /nfs/dbraw/zinc/05/50/87/309055087.db2.gz PTKLTVDYWGGGQR-FZMZJTMJSA-N 0 0 328.796 3.082 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413996789 309055833 /nfs/dbraw/zinc/05/58/33/309055833.db2.gz UOUXYJITDAIEKW-AWEZNQCLSA-N 0 0 325.368 3.333 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000122790385 307532736 /nfs/dbraw/zinc/53/27/36/307532736.db2.gz GCQMRZFNXJYEBN-ZFWWWQNUSA-N 0 0 345.330 3.420 10 5 EGBERN CCNc1ncc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000129652836 307617828 /nfs/dbraw/zinc/61/78/28/307617828.db2.gz VCLICLMFFPFEHA-LBPRGKRZSA-N 0 0 334.401 3.364 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c(F)c1 ZINC000154936184 307803869 /nfs/dbraw/zinc/80/38/69/307803869.db2.gz HGUJATFRJFKMLS-UHFFFAOYSA-N 0 0 327.271 3.386 10 5 EGBERN O=C(NCCc1cc(F)cc(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000156051367 307826429 /nfs/dbraw/zinc/82/64/29/307826429.db2.gz NUIXKVFMFRGLBZ-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000159686604 307877879 /nfs/dbraw/zinc/87/78/79/307877879.db2.gz IDVPPJYMJBZPDZ-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCCC2=CCCC2)cc([N+](=O)[O-])c1 ZINC000160267108 307887060 /nfs/dbraw/zinc/88/70/60/307887060.db2.gz LPPMMIKBKFLSKT-UHFFFAOYSA-N 0 0 332.356 3.002 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC/C=C\c1ccccc1 ZINC000255113859 308040591 /nfs/dbraw/zinc/04/05/91/308040591.db2.gz HUDZRNVVQSCQDU-YVMONPNESA-N 0 0 341.367 3.116 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000293104107 308099956 /nfs/dbraw/zinc/09/99/56/308099956.db2.gz UBAIBHWBBJKAKJ-BJRSVTDJSA-N 0 0 332.400 3.009 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293138969 308102989 /nfs/dbraw/zinc/10/29/89/308102989.db2.gz SGZMPFIARWVKMM-DZGCQCFKSA-N 0 0 340.807 3.412 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(CCC4CCOCC4)no3)c2c1 ZINC000293275423 308116204 /nfs/dbraw/zinc/11/62/04/308116204.db2.gz VRJYGOSFSVXWPG-UHFFFAOYSA-N 0 0 342.355 3.485 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1[N+](=O)[O-] ZINC000293767754 308160105 /nfs/dbraw/zinc/16/01/05/308160105.db2.gz UXDYOYQCMJCZBY-QMMMGPOBSA-N 0 0 340.792 3.149 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293935642 308175517 /nfs/dbraw/zinc/17/55/17/308175517.db2.gz HZHZNSWYYISCPG-MRVPVSSYSA-N 0 0 331.141 3.121 10 5 EGBERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631015 308239862 /nfs/dbraw/zinc/23/98/62/308239862.db2.gz PGYGGONYLABKNI-NXEZZACHSA-N 0 0 332.322 3.347 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](C)(F)C1 ZINC000295216956 308303969 /nfs/dbraw/zinc/30/39/69/308303969.db2.gz BFXJCDUBMMIEJT-ABAIWWIYSA-N 0 0 326.393 3.426 10 5 EGBERN CC(C)c1nnc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)s1 ZINC000295436267 308326450 /nfs/dbraw/zinc/32/64/50/308326450.db2.gz VECIVDNUDYBRKU-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000295669704 308349000 /nfs/dbraw/zinc/34/90/00/308349000.db2.gz GYNUZMBLRFDCTF-VIFPVBQESA-N 0 0 348.733 3.053 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000296928769 308481565 /nfs/dbraw/zinc/48/15/65/308481565.db2.gz OSRFIFBYACXJML-UHFFFAOYSA-N 0 0 331.376 3.002 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000297381263 308528760 /nfs/dbraw/zinc/52/87/60/308528760.db2.gz KZKJDCXIIXIDGZ-MLGOLLRUSA-N 0 0 345.403 3.323 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ncccc3[N+](=O)[O-])C2)c1 ZINC000301317349 308696142 /nfs/dbraw/zinc/69/61/42/308696142.db2.gz OKGPFNUBLCOMHJ-ZDUSSCGKSA-N 0 0 328.372 3.079 10 5 EGBERN CCOc1cc(NC2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301521107 308703744 /nfs/dbraw/zinc/70/37/44/308703744.db2.gz LJRMIXLOKUASJK-UHFFFAOYSA-N 0 0 335.404 3.052 10 5 EGBERN COC(=O)c1cc(NC[C@@](C)(O)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000301686227 308710847 /nfs/dbraw/zinc/71/08/47/308710847.db2.gz LTPPIUNUIMMZAT-GOSISDBHSA-N 0 0 344.367 3.009 10 5 EGBERN CCc1ccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000301783064 308715132 /nfs/dbraw/zinc/71/51/32/308715132.db2.gz JUPVYVWDZFKIPH-UHFFFAOYSA-N 0 0 334.397 3.173 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000301816816 308716587 /nfs/dbraw/zinc/71/65/87/308716587.db2.gz JQHJCKFKGGKZFG-MAZHCROVSA-N 0 0 346.383 3.059 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000301857776 308718596 /nfs/dbraw/zinc/71/85/96/308718596.db2.gz RWVAFAWAPYGEEA-BYCMXARLSA-N 0 0 326.780 3.021 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccc(F)cc4)CCC3)nn21 ZINC000301953411 308722830 /nfs/dbraw/zinc/72/28/30/308722830.db2.gz CUINSFXBPUEFIT-UHFFFAOYSA-N 0 0 341.346 3.310 10 5 EGBERN C[C@@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCc2ccccc21 ZINC000302013170 308725164 /nfs/dbraw/zinc/72/51/64/308725164.db2.gz ZVJAWMXHBOXURF-SFHVURJKSA-N 0 0 337.383 3.344 10 5 EGBERN CCOc1cccc(NC2CCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-] ZINC000302118880 308729785 /nfs/dbraw/zinc/72/97/85/308729785.db2.gz SRICYZIQYUWRIK-UHFFFAOYSA-N 0 0 335.404 3.052 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1Cc2ccccc2C2(CC2)C1 ZINC000302487727 308738017 /nfs/dbraw/zinc/73/80/17/308738017.db2.gz SDDYXEKODKHKPR-UHFFFAOYSA-N 0 0 337.379 3.006 10 5 EGBERN Cc1cc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000302720595 308743054 /nfs/dbraw/zinc/74/30/54/308743054.db2.gz LCIALNQKGMBDTN-INIZCTEOSA-N 0 0 343.358 3.255 10 5 EGBERN CCN(Cc1ccccc1Cl)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302828885 308747320 /nfs/dbraw/zinc/74/73/20/308747320.db2.gz OSTCXVSSSJRQSO-UHFFFAOYSA-N 0 0 331.763 3.317 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000330607665 308796693 /nfs/dbraw/zinc/79/66/93/308796693.db2.gz MBVQFZATBBCTKI-CYBMUJFWSA-N 0 0 330.388 3.087 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000409581870 308910461 /nfs/dbraw/zinc/91/04/61/308910461.db2.gz MXJGHWYMUKJFIM-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000411084809 308926052 /nfs/dbraw/zinc/92/60/52/308926052.db2.gz JEXKIKONEDHANB-UHFFFAOYSA-N 0 0 336.779 3.285 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCO[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412465857 308987589 /nfs/dbraw/zinc/98/75/89/308987589.db2.gz UNLWKNATNPYVKF-QGZVFWFLSA-N 0 0 348.399 3.023 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000412944984 309009249 /nfs/dbraw/zinc/00/92/49/309009249.db2.gz OSAFZZGHFVVLHC-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000412945831 309009348 /nfs/dbraw/zinc/00/93/48/309009348.db2.gz JVVBSEFWFBCSKP-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN CC(C)(C)c1ccncc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000413505732 309034811 /nfs/dbraw/zinc/03/48/11/309034811.db2.gz DQGBNCWOWBOGEP-UHFFFAOYSA-N 0 0 325.372 3.198 10 5 EGBERN CO[C@](C)([C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000415921627 309148818 /nfs/dbraw/zinc/14/88/18/309148818.db2.gz RWCPOEWSIGTQLI-QLJPJBMISA-N 0 0 340.807 3.490 10 5 EGBERN C[C@@]1(O)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000416283937 309167524 /nfs/dbraw/zinc/16/75/24/309167524.db2.gz UCHSKKWDRFRHOE-HEHXSTRBSA-N 0 0 342.351 3.030 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000417117989 309193829 /nfs/dbraw/zinc/19/38/29/309193829.db2.gz SZRLTHNLPCXYOD-GFCCVEGCSA-N 0 0 339.367 3.095 10 5 EGBERN CCc1[nH]nc(-c2nc(C[C@@H](C)c3ccccc3)no2)c1[N+](=O)[O-] ZINC000420485664 309287897 /nfs/dbraw/zinc/28/78/97/309287897.db2.gz INBWOFKBTGULEE-SNVBAGLBSA-N 0 0 327.344 3.277 10 5 EGBERN Cn1cc(Cl)c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959997 309304261 /nfs/dbraw/zinc/30/42/61/309304261.db2.gz GBMUZGGFKGLZDO-ZDUSSCGKSA-N 0 0 334.807 3.361 10 5 EGBERN CC[C@H](CS(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)OC ZINC000421167434 309315989 /nfs/dbraw/zinc/31/59/89/309315989.db2.gz UHPQKWZLPNJDLF-GFCCVEGCSA-N 0 0 344.433 3.059 10 5 EGBERN Cn1cc(Cl)c(CSCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000421210437 309316255 /nfs/dbraw/zinc/31/62/55/309316255.db2.gz PYUACYWRHLPOEW-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN COc1ccc(CSCc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000421220240 309316727 /nfs/dbraw/zinc/31/67/27/309316727.db2.gz QLXXKXYGTQOEAV-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421590878 309331068 /nfs/dbraw/zinc/33/10/68/309331068.db2.gz OIRDOKUVWOFYNN-CQSZACIVSA-N 0 0 334.441 3.420 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000421716690 309336658 /nfs/dbraw/zinc/33/66/58/309336658.db2.gz SJMPYHKVZLHHIR-UHFFFAOYSA-N 0 0 339.351 3.460 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000421880920 309344773 /nfs/dbraw/zinc/34/47/73/309344773.db2.gz AVOKVCQZKSCTRU-QGPMSJSTSA-N 0 0 346.427 3.367 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000421880921 309344832 /nfs/dbraw/zinc/34/48/32/309344832.db2.gz AVOKVCQZKSCTRU-YXJHDRRASA-N 0 0 346.427 3.367 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000421922488 309346602 /nfs/dbraw/zinc/34/66/02/309346602.db2.gz UJUDQJKALZPYJF-LLVKDONJSA-N 0 0 345.424 3.339 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000422242911 309359034 /nfs/dbraw/zinc/35/90/34/309359034.db2.gz VSNQTKWSGWAEMY-RDJZCZTQSA-N 0 0 349.431 3.472 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CCC1 ZINC000427207089 309524851 /nfs/dbraw/zinc/52/48/51/309524851.db2.gz VYGZKUACVZETHQ-SNVBAGLBSA-N 0 0 326.780 3.322 10 5 EGBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428103059 309542421 /nfs/dbraw/zinc/54/24/21/309542421.db2.gz MUQHKQPVEPZEHR-DABQJJPHSA-N 0 0 329.381 3.247 10 5 EGBERN CCc1nn(C)c(N(C)Cc2cc(Cl)ccc2F)c1[N+](=O)[O-] ZINC000433795837 309696557 /nfs/dbraw/zinc/69/65/57/309696557.db2.gz GEOVLKUSPANLKD-UHFFFAOYSA-N 0 0 326.759 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)cc1C ZINC000436190277 309749086 /nfs/dbraw/zinc/74/90/86/309749086.db2.gz WDPGUKVYDTXEEQ-GXFFZTMASA-N 0 0 326.418 3.021 10 5 EGBERN COCCOc1cccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c1 ZINC000436306957 309752462 /nfs/dbraw/zinc/75/24/62/309752462.db2.gz LQRXJOUCHBCFRV-UHFFFAOYSA-N 0 0 343.383 3.200 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442687605 309884558 /nfs/dbraw/zinc/88/45/58/309884558.db2.gz NEJSBHQHKOSKAS-JOYOIKCWSA-N 0 0 339.298 3.258 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(N4CCCCC4)nc3)nc2c1 ZINC000447681167 309985750 /nfs/dbraw/zinc/98/57/50/309985750.db2.gz WQMLQBDQQGPGIT-UHFFFAOYSA-N 0 0 338.371 3.022 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000449303612 310051921 /nfs/dbraw/zinc/05/19/21/310051921.db2.gz XHXBWZCRBYVELX-ZFWWWQNUSA-N 0 0 342.399 3.356 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000449859534 310091176 /nfs/dbraw/zinc/09/11/76/310091176.db2.gz HFGIWKDYZZQTBG-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1cnc(CCCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000449956505 310095966 /nfs/dbraw/zinc/09/59/66/310095966.db2.gz CNRSXIVBGMVZBR-UHFFFAOYSA-N 0 0 329.356 3.193 10 5 EGBERN O=C(c1cncc(Cl)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450182627 310107362 /nfs/dbraw/zinc/10/73/62/310107362.db2.gz FUACBHVDFQTYBF-UHFFFAOYSA-N 0 0 331.759 3.448 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450210148 310108723 /nfs/dbraw/zinc/10/87/23/310108723.db2.gz ZRPLOSXIEZNTIR-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000450333089 310116077 /nfs/dbraw/zinc/11/60/77/310116077.db2.gz WNGSADZYJJOPSH-DIFFPNOSSA-N 0 0 346.408 3.344 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000450426255 310121836 /nfs/dbraw/zinc/12/18/36/310121836.db2.gz POGCXDAHSLPKHC-JKSUJKDBSA-N 0 0 329.400 3.376 10 5 EGBERN COc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000450523296 310128109 /nfs/dbraw/zinc/12/81/09/310128109.db2.gz FVARLMQREQQQKX-DIFFPNOSSA-N 0 0 336.363 3.395 10 5 EGBERN CCc1nn(C)c(N2CCc3c(Cl)cc(F)cc3C2)c1[N+](=O)[O-] ZINC000450586112 310131659 /nfs/dbraw/zinc/13/16/59/310131659.db2.gz OADGIFKUBSOPQV-UHFFFAOYSA-N 0 0 338.770 3.246 10 5 EGBERN Nc1nc(N2CCCC[C@H]2c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000450831813 310144672 /nfs/dbraw/zinc/14/46/72/310144672.db2.gz QKVNRDDQDBMPTK-LBPRGKRZSA-N 0 0 333.779 3.182 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450917615 310149651 /nfs/dbraw/zinc/14/96/51/310149651.db2.gz DYUGGZBKUNTQMO-KBPBESRZSA-N 0 0 340.383 3.017 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CCN(CC(F)(F)F)CC2)n1 ZINC000450940250 310150992 /nfs/dbraw/zinc/15/09/92/310150992.db2.gz QVGQBDZYHISJIP-UHFFFAOYSA-N 0 0 346.353 3.070 10 5 EGBERN COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450946957 310151568 /nfs/dbraw/zinc/15/15/68/310151568.db2.gz NDVWPDKWZMHPKH-NSHDSACASA-N 0 0 330.331 3.449 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451114710 310161221 /nfs/dbraw/zinc/16/12/21/310161221.db2.gz DYKRCMKCVXYWOH-HZSPNIEDSA-N 0 0 332.400 3.451 10 5 EGBERN Cc1nnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C1CC1 ZINC000451548850 310185415 /nfs/dbraw/zinc/18/54/15/310185415.db2.gz OQXRRXQTFZGDBB-OAHLLOKOSA-N 0 0 341.415 3.209 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC=C(C)C ZINC000451743280 310195491 /nfs/dbraw/zinc/19/54/91/310195491.db2.gz TVGSOBJPADFNKK-LBPRGKRZSA-N 0 0 342.417 3.017 10 5 EGBERN COCc1nn(C)cc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000451764856 310196364 /nfs/dbraw/zinc/19/63/64/310196364.db2.gz WNRVFDXJUAUGIY-UHFFFAOYSA-N 0 0 346.387 3.025 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@](C)(F)C1 ZINC000452198232 310218115 /nfs/dbraw/zinc/21/81/15/310218115.db2.gz UNCYJXCLHKCUSR-BONVTDFDSA-N 0 0 344.770 3.366 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CCOCC1 ZINC000452200035 310218286 /nfs/dbraw/zinc/21/82/86/310218286.db2.gz NVZFOLRUMAYBFT-QGZVFWFLSA-N 0 0 348.443 3.487 10 5 EGBERN O=C(NC[C@H]1CCOC2(CCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452735080 310239544 /nfs/dbraw/zinc/23/95/44/310239544.db2.gz SHMMAGIZAYPKLG-LBPRGKRZSA-N 0 0 343.383 3.155 10 5 EGBERN COc1cc(C(=O)NCC2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000452795441 310242209 /nfs/dbraw/zinc/24/22/09/310242209.db2.gz LMJJDMGVXJKCQL-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN Cc1nn(C)cc1CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000453122460 310259421 /nfs/dbraw/zinc/25/94/21/310259421.db2.gz NCAKVIVGMUYVTG-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN C[C@@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCO1 ZINC000453232704 310265722 /nfs/dbraw/zinc/26/57/22/310265722.db2.gz HIXCGCKLLQHZRV-MNOVXSKESA-N 0 0 344.371 3.285 10 5 EGBERN CCOCC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453240822 310266127 /nfs/dbraw/zinc/26/61/27/310266127.db2.gz SWJKGGLBQPJQQY-UHFFFAOYSA-N 0 0 344.371 3.071 10 5 EGBERN COCC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCC1 ZINC000453238990 310266161 /nfs/dbraw/zinc/26/61/61/310266161.db2.gz PFFKXIXCGCUPRT-UHFFFAOYSA-N 0 0 344.371 3.071 10 5 EGBERN Cc1cc(-c2noc([C@@H]3CCCc4n[nH]cc43)n2)cc([N+](=O)[O-])c1 ZINC000453280564 310268949 /nfs/dbraw/zinc/26/89/49/310268949.db2.gz CEOYZNTYWPQFDZ-GFCCVEGCSA-N 0 0 325.328 3.145 10 5 EGBERN Cc1cc(-c2noc(C(F)(F)C3CCOCC3)n2)cc([N+](=O)[O-])c1 ZINC000453283111 310268984 /nfs/dbraw/zinc/26/89/84/310268984.db2.gz FTXULBPFZVZNNW-UHFFFAOYSA-N 0 0 339.298 3.472 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000454349461 310304822 /nfs/dbraw/zinc/30/48/22/310304822.db2.gz MEFVWRGEGBYXKA-ZDUSSCGKSA-N 0 0 349.387 3.408 10 5 EGBERN C[C@@H](NC(=O)NCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000454352550 310304902 /nfs/dbraw/zinc/30/49/02/310304902.db2.gz AWSLDGZWXQXAQD-CYBMUJFWSA-N 0 0 335.404 3.162 10 5 EGBERN CCCc1ncc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000455242039 310351860 /nfs/dbraw/zinc/35/18/60/310351860.db2.gz GKLISRAWYUBCHD-UHFFFAOYSA-N 0 0 332.360 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456097218 310388389 /nfs/dbraw/zinc/38/83/89/310388389.db2.gz IUAZDWKJRBEPPH-GVDBMIGSSA-N 0 0 332.400 3.059 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000456112742 310388987 /nfs/dbraw/zinc/38/89/87/310388987.db2.gz GSHQPEXOCPTHNA-BDAKNGLRSA-N 0 0 348.325 3.073 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000456155442 310390977 /nfs/dbraw/zinc/39/09/77/310390977.db2.gz YADYIHCITRAKSX-GXFFZTMASA-N 0 0 326.780 3.054 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n1 ZINC000456172652 310391991 /nfs/dbraw/zinc/39/19/91/310391991.db2.gz DPUASCJMLQCPHU-ZDUSSCGKSA-N 0 0 345.403 3.428 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000456340975 310399528 /nfs/dbraw/zinc/39/95/28/310399528.db2.gz AXLPDBZDNLWYIZ-ZDUSSCGKSA-N 0 0 348.790 3.349 10 5 EGBERN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000458196135 310490836 /nfs/dbraw/zinc/49/08/36/310490836.db2.gz XUPMZXPZJBNGCY-UHFFFAOYSA-N 0 0 328.315 3.457 10 5 EGBERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000458261169 310494980 /nfs/dbraw/zinc/49/49/80/310494980.db2.gz CKAMVSRAGDMAGM-CYBMUJFWSA-N 0 0 346.358 3.202 10 5 EGBERN CC1(C)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462317389 310598288 /nfs/dbraw/zinc/59/82/88/310598288.db2.gz NMXURJIUKBGNLK-UHFFFAOYSA-N 0 0 346.836 3.495 10 5 EGBERN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000462619318 310602795 /nfs/dbraw/zinc/60/27/95/310602795.db2.gz SXMAHEHCAQTQHX-AWEZNQCLSA-N 0 0 336.388 3.225 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000462954956 310607927 /nfs/dbraw/zinc/60/79/27/310607927.db2.gz SPEJHCNERVGOHX-ZDMBXUJBSA-N 0 0 343.305 3.035 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000477695309 310848017 /nfs/dbraw/zinc/84/80/17/310848017.db2.gz BKZAEMSIIGYJKN-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000478002225 310853062 /nfs/dbraw/zinc/85/30/62/310853062.db2.gz XDSMALWZBAZCRG-GOEBONIOSA-N 0 0 347.415 3.246 10 5 EGBERN CN(C1(C)CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000486979432 311005398 /nfs/dbraw/zinc/00/53/98/311005398.db2.gz FAKHGTIDSHPKQG-UHFFFAOYSA-N 0 0 332.809 3.201 10 5 EGBERN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC(C)(C)C1 ZINC000487005968 311006655 /nfs/dbraw/zinc/00/66/55/311006655.db2.gz YVEGYFJCNSFWDZ-SNVBAGLBSA-N 0 0 326.343 3.310 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000487430517 311023248 /nfs/dbraw/zinc/02/32/48/311023248.db2.gz OHDZWQQTLSKOAB-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN COc1ccc(F)cc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487755202 311036707 /nfs/dbraw/zinc/03/67/07/311036707.db2.gz DJWRRFSKWVGRIN-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(N2CCCC2)nc1 ZINC000487923574 311043074 /nfs/dbraw/zinc/04/30/74/311043074.db2.gz YLPKHINUJQEMIJ-UHFFFAOYSA-N 0 0 335.367 3.304 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000493357926 311364598 /nfs/dbraw/zinc/36/45/98/311364598.db2.gz HIVOWZDXCRIOMN-GJZGRUSLSA-N 0 0 346.408 3.046 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000493905152 311443994 /nfs/dbraw/zinc/44/39/94/311443994.db2.gz GWCXJDOKMRYMKW-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000507481480 312074126 /nfs/dbraw/zinc/07/41/26/312074126.db2.gz TZTFWFGIXWICTC-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CCC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508523908 312096182 /nfs/dbraw/zinc/09/61/82/312096182.db2.gz FVFPSYALTRKQIF-ZDUSSCGKSA-N 0 0 329.404 3.407 10 5 EGBERN Cc1cc(N2CCC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000509496898 312118665 /nfs/dbraw/zinc/11/86/65/312118665.db2.gz WMUJKRMOBYCQPQ-LJQANCHMSA-N 0 0 326.396 3.434 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@@H]1C ZINC000512153760 312177248 /nfs/dbraw/zinc/17/72/48/312177248.db2.gz KWBJLPVBDWAJEO-LBPRGKRZSA-N 0 0 326.418 3.110 10 5 EGBERN CC1(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000514997522 312259143 /nfs/dbraw/zinc/25/91/43/312259143.db2.gz ZYOBCBZWRNHGHU-UHFFFAOYSA-N 0 0 339.189 3.420 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000515392292 312280687 /nfs/dbraw/zinc/28/06/87/312280687.db2.gz QFBDSVRKTDWDOX-CORIIIEPSA-N 0 0 347.415 3.490 10 5 EGBERN COc1ncc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1Cl ZINC000517436144 312379361 /nfs/dbraw/zinc/37/93/61/312379361.db2.gz WZMBXDBBEJLFBQ-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN O=[N+]([O-])c1ccc(OCCNc2ncnc3cc(Cl)ccc32)cc1 ZINC000517602779 312385599 /nfs/dbraw/zinc/38/55/99/312385599.db2.gz RUTXNKYDKARMAD-UHFFFAOYSA-N 0 0 344.758 3.104 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000519505351 312455969 /nfs/dbraw/zinc/45/59/69/312455969.db2.gz RGQYHMCORUSOCR-CYBMUJFWSA-N 0 0 345.399 3.035 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000527184828 312837897 /nfs/dbraw/zinc/83/78/97/312837897.db2.gz JYFKLWPNRARWBL-WPRPVWTQSA-N 0 0 331.294 3.049 10 5 EGBERN COc1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000531117790 313629458 /nfs/dbraw/zinc/62/94/58/313629458.db2.gz IURHCNMUVNWHQK-UHFFFAOYSA-N 0 0 340.339 3.374 10 5 EGBERN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882247 313725683 /nfs/dbraw/zinc/72/56/83/313725683.db2.gz VNJXKOWGYQGEQC-CYBMUJFWSA-N 0 0 333.775 3.394 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(OC)c1 ZINC000532134457 313758772 /nfs/dbraw/zinc/75/87/72/313758772.db2.gz ULUJFWNKGPITIN-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H]2CC=CCC2)c1 ZINC000537323377 314174149 /nfs/dbraw/zinc/17/41/49/314174149.db2.gz ZLRIPTGUDFARQO-OAHLLOKOSA-N 0 0 332.400 3.487 10 5 EGBERN CC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000538264237 314235562 /nfs/dbraw/zinc/23/55/62/314235562.db2.gz HLTSVDPQACXFHZ-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000538275388 314236601 /nfs/dbraw/zinc/23/66/01/314236601.db2.gz FSNCWEXLHLZZSU-GFCCVEGCSA-N 0 0 331.347 3.332 10 5 EGBERN Cc1ccccc1[C@H](C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538682787 314263650 /nfs/dbraw/zinc/26/36/50/314263650.db2.gz VYGJDNBPWBMXOB-CQSZACIVSA-N 0 0 339.395 3.377 10 5 EGBERN COc1ccc(CC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000541940723 314506763 /nfs/dbraw/zinc/50/67/63/314506763.db2.gz YHLUBIAJDZBAGF-ACJLOTCBSA-N 0 0 332.400 3.185 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000542158633 314520872 /nfs/dbraw/zinc/52/08/72/314520872.db2.gz IZDCEIMIYGLJRX-LLVKDONJSA-N 0 0 340.335 3.083 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543821183 314658093 /nfs/dbraw/zinc/65/80/93/314658093.db2.gz REHDGTLJOYSXFR-IUCAKERBSA-N 0 0 346.355 3.162 10 5 EGBERN CC(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544737872 314714681 /nfs/dbraw/zinc/71/46/81/314714681.db2.gz ZCHKTXMXYHTEQZ-UHFFFAOYSA-N 0 0 328.372 3.413 10 5 EGBERN COc1cc(CN2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769119 314936632 /nfs/dbraw/zinc/93/66/32/314936632.db2.gz VPVNKJXVAGHJEL-NXEZZACHSA-N 0 0 330.331 3.230 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2(CC2)c2ccccc21 ZINC000548174777 314982378 /nfs/dbraw/zinc/98/23/78/314982378.db2.gz PFZCHVKWOYBBLG-UHFFFAOYSA-N 0 0 337.379 3.394 10 5 EGBERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC000548747767 315042647 /nfs/dbraw/zinc/04/26/47/315042647.db2.gz AVHZNJRSMFNADQ-GWCFXTLKSA-N 0 0 332.360 3.087 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)C1 ZINC000549843925 315107195 /nfs/dbraw/zinc/10/71/95/315107195.db2.gz WXLUVIMAIZXHQQ-CYBMUJFWSA-N 0 0 329.404 3.356 10 5 EGBERN C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551670123 315163222 /nfs/dbraw/zinc/16/32/22/315163222.db2.gz NBIZSKWXXJBMDW-NSHDSACASA-N 0 0 349.431 3.382 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000552128040 315200241 /nfs/dbraw/zinc/20/02/41/315200241.db2.gz AEAUDZINJQBGES-UHFFFAOYSA-N 0 0 329.331 3.091 10 5 EGBERN CSc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000554733256 315346144 /nfs/dbraw/zinc/34/61/44/315346144.db2.gz DAPBWJKWKDHJBH-UHFFFAOYSA-N 0 0 345.380 3.364 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000555261828 315376188 /nfs/dbraw/zinc/37/61/88/315376188.db2.gz BUGMPBKXNNKOCD-NWANDNLSSA-N 0 0 336.779 3.275 10 5 EGBERN CCC(CC)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556505369 315438832 /nfs/dbraw/zinc/43/88/32/315438832.db2.gz ITNNIJHVOCJYRV-UHFFFAOYSA-N 0 0 335.404 3.136 10 5 EGBERN O=C(c1cc2cc(F)ccc2o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000558379054 315562720 /nfs/dbraw/zinc/56/27/20/315562720.db2.gz UTMSLGPPKQCDAJ-UHFFFAOYSA-N 0 0 341.298 3.074 10 5 EGBERN CC(C)(C)c1nnsc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000563837731 316076621 /nfs/dbraw/zinc/07/66/21/316076621.db2.gz ZBPLYVFYZJJXOB-UHFFFAOYSA-N 0 0 331.357 3.461 10 5 EGBERN NC(=O)c1cccc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000564891503 316227292 /nfs/dbraw/zinc/22/72/92/316227292.db2.gz UFLRWSGJEIHSRK-UHFFFAOYSA-N 0 0 329.381 3.119 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000565895497 316384857 /nfs/dbraw/zinc/38/48/57/316384857.db2.gz UEDOFXBCVGTULQ-CVEARBPZSA-N 0 0 332.400 3.436 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000567126579 316572460 /nfs/dbraw/zinc/57/24/60/316572460.db2.gz MAJBOYVQNOOODI-BETUJISGSA-N 0 0 329.404 3.356 10 5 EGBERN COCC[C@@H](Cc1ccco1)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000569646556 316941928 /nfs/dbraw/zinc/94/19/28/316941928.db2.gz AROOMZHSGKOHQK-ZDUSSCGKSA-N 0 0 348.355 3.034 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000570908596 317124774 /nfs/dbraw/zinc/12/47/74/317124774.db2.gz HIXAVFSRJKBAJA-AWEZNQCLSA-N 0 0 346.362 3.387 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571398825 317194087 /nfs/dbraw/zinc/19/40/87/317194087.db2.gz AMGBTYXUIKXUSG-BXUZGUMPSA-N 0 0 335.404 3.102 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000189554712 455218964 /nfs/dbraw/zinc/21/89/64/455218964.db2.gz FBGOSHMZTXGJRK-UHFFFAOYSA-N 0 0 339.351 3.444 10 5 EGBERN Cc1csc([C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCO2)n1 ZINC000171638874 323243403 /nfs/dbraw/zinc/24/34/03/323243403.db2.gz JQONTZOVZCPUDN-AWEZNQCLSA-N 0 0 337.376 3.072 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000171841917 323254838 /nfs/dbraw/zinc/25/48/38/323254838.db2.gz RLECDYCOCADRAY-RDJZCZTQSA-N 0 0 325.368 3.198 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nccs1 ZINC000176279884 323328202 /nfs/dbraw/zinc/32/82/02/323328202.db2.gz GNOWPMTZDZGAPK-CQSZACIVSA-N 0 0 346.412 3.488 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000179444480 323388313 /nfs/dbraw/zinc/38/83/13/323388313.db2.gz RFAAISVGNDGQMI-GTNSWQLSSA-N 0 0 325.368 3.352 10 5 EGBERN CNC(=O)c1ccc(Nc2cccc(N(C)C)c2C)c([N+](=O)[O-])c1 ZINC000180299700 323434701 /nfs/dbraw/zinc/43/47/01/323434701.db2.gz YEWMZNJLSCWHRV-UHFFFAOYSA-N 0 0 328.372 3.072 10 5 EGBERN Cc1cc(NC(=O)c2cnn(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000181304602 323477657 /nfs/dbraw/zinc/47/76/57/323477657.db2.gz SPLUBIVAFJCGQK-UHFFFAOYSA-N 0 0 342.277 3.304 10 5 EGBERN CC(C)(C)n1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)cn1 ZINC000350952230 324145097 /nfs/dbraw/zinc/14/50/97/324145097.db2.gz ZXBRVJPYNWEBLC-UHFFFAOYSA-N 0 0 343.343 3.175 10 5 EGBERN Cc1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)nn1 ZINC000351276479 324216505 /nfs/dbraw/zinc/21/65/05/324216505.db2.gz VZJZNSRFQLBFST-UHFFFAOYSA-N 0 0 325.328 3.069 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CC2CCC1CC2 ZINC000381947505 324248375 /nfs/dbraw/zinc/24/83/75/324248375.db2.gz RRGOHSBBOOOHJT-YUVKLTJASA-N 0 0 335.379 3.261 10 5 EGBERN Cn1cc(Cl)c(CNc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000421192769 324314880 /nfs/dbraw/zinc/31/48/80/324314880.db2.gz WSNZBRVDISNCPU-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](O)CC12CCC2 ZINC000575241516 324444168 /nfs/dbraw/zinc/44/41/68/324444168.db2.gz TWUFPRHJILXQDL-LLVKDONJSA-N 0 0 339.779 3.160 10 5 EGBERN CCC[C@H](CC)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576022094 324530490 /nfs/dbraw/zinc/53/04/90/324530490.db2.gz SYFXBZIQZDUDPS-ZDUSSCGKSA-N 0 0 332.404 3.497 10 5 EGBERN Cc1sc(C(=O)NCCC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000577007392 324724843 /nfs/dbraw/zinc/72/48/43/324724843.db2.gz LNAYOZUXPULEAV-UHFFFAOYSA-N 0 0 330.409 3.500 10 5 EGBERN COc1cc(N[C@@H](c2ccccc2F)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000577402309 324802476 /nfs/dbraw/zinc/80/24/76/324802476.db2.gz XVFGUHQMMYLIAD-XXFAHNHDSA-N 0 0 338.310 3.416 10 5 EGBERN CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000578784771 325019062 /nfs/dbraw/zinc/01/90/62/325019062.db2.gz UZCKFSAWOVKHLY-UHFFFAOYSA-N 0 0 332.404 3.449 10 5 EGBERN Cc1ccc(S(C)(=O)=O)cc1NCc1ccc([N+](=O)[O-])cc1C ZINC000579933562 325178512 /nfs/dbraw/zinc/17/85/12/325178512.db2.gz CGEPAALEMVEBJL-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN Cc1sc(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000580047153 325194922 /nfs/dbraw/zinc/19/49/22/325194922.db2.gz HMNOTVCPKJKQET-AWEZNQCLSA-N 0 0 338.429 3.242 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000580388326 325241318 /nfs/dbraw/zinc/24/13/18/325241318.db2.gz KDFSRAZQTAJFIW-UHFFFAOYSA-N 0 0 344.415 3.381 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000580736333 325289863 /nfs/dbraw/zinc/28/98/63/325289863.db2.gz PPNBLANZLNMGHG-HFBDOXOYSA-N 0 0 326.343 3.356 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](CO)Cc2ccc(F)cc2)ccc2ncccc21 ZINC000581002484 325319831 /nfs/dbraw/zinc/31/98/31/325319831.db2.gz DOQJPUFFYFYICH-AWEZNQCLSA-N 0 0 341.342 3.298 10 5 EGBERN Cc1oc2ncnc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2c1C ZINC000581168873 325336597 /nfs/dbraw/zinc/33/65/97/325336597.db2.gz GALNCRDBLIOINT-SNVBAGLBSA-N 0 0 340.339 3.490 10 5 EGBERN Cc1nnc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000581420379 325359918 /nfs/dbraw/zinc/35/99/18/325359918.db2.gz YCMQOQRXIBNVHM-UHFFFAOYSA-N 0 0 349.416 3.374 10 5 EGBERN COc1ccc(CC(=O)NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000582395367 325438081 /nfs/dbraw/zinc/43/80/81/325438081.db2.gz HUPKVBACKBZCPF-UHFFFAOYSA-N 0 0 340.379 3.340 10 5 EGBERN O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cn1 ZINC000583284504 325510801 /nfs/dbraw/zinc/51/08/01/325510801.db2.gz IFHLVNGZLFNYST-XYPYZODXSA-N 0 0 331.759 3.319 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H](C)CO2)c1 ZINC000174709147 533716269 /nfs/dbraw/zinc/71/62/69/533716269.db2.gz WWUSKFHRHSICRW-CZUORRHYSA-N 0 0 344.367 3.407 10 5 EGBERN CCc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000000215092 452538973 /nfs/dbraw/zinc/53/89/73/452538973.db2.gz JQXVCDZALQLLRS-UHFFFAOYSA-N 0 0 330.388 3.389 10 5 EGBERN Cn1cc(NCc2ccc([N+](=O)[O-])cc2F)c(-c2ccccn2)n1 ZINC000612188929 460564321 /nfs/dbraw/zinc/56/43/21/460564321.db2.gz PGNSOFSCOOTQJP-UHFFFAOYSA-N 0 0 327.319 3.142 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183582225 455308096 /nfs/dbraw/zinc/30/80/96/455308096.db2.gz NBJSPRZRAUSWAT-SECBINFHSA-N 0 0 334.307 3.020 10 5 EGBERN Cc1ccc(O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])n1 ZINC000005970033 452914271 /nfs/dbraw/zinc/91/42/71/452914271.db2.gz HWYSNADBMHCZHO-LBPRGKRZSA-N 0 0 326.352 3.437 10 5 EGBERN CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006830344 452996472 /nfs/dbraw/zinc/99/64/72/452996472.db2.gz UZLBTEMRAYTLLY-UHFFFAOYSA-N 0 0 332.809 3.201 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc(F)cc1 ZINC000007067854 453027748 /nfs/dbraw/zinc/02/77/48/453027748.db2.gz CMHJRCSXJWRDME-GFCCVEGCSA-N 0 0 332.331 3.332 10 5 EGBERN NC(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000012749628 453398669 /nfs/dbraw/zinc/39/86/69/453398669.db2.gz IUWFBAIGMDBPPB-UHFFFAOYSA-N 0 0 340.364 3.235 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600772409 460597354 /nfs/dbraw/zinc/59/73/54/460597354.db2.gz JBNGBEXINOWRFM-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1cccc(N(C)S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000015936315 453589803 /nfs/dbraw/zinc/58/98/03/453589803.db2.gz WPQBADZJXBNGTI-UHFFFAOYSA-N 0 0 345.380 3.210 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000017320351 453633243 /nfs/dbraw/zinc/63/32/43/453633243.db2.gz WCXBYTUPZHZRDH-CQSZACIVSA-N 0 0 331.416 3.457 10 5 EGBERN COc1ccccc1N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020963947 453670697 /nfs/dbraw/zinc/67/06/97/453670697.db2.gz IYOPCCNEOIESKM-HNNXBMFYSA-N 0 0 341.411 3.487 10 5 EGBERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000031546654 453848808 /nfs/dbraw/zinc/84/88/08/453848808.db2.gz YNNRXAVHFXCAPU-BZNIZROVSA-N 0 0 339.351 3.442 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000081260963 453853778 /nfs/dbraw/zinc/85/37/78/453853778.db2.gz RCMKVCVZEJCMBT-OAHLLOKOSA-N 0 0 330.388 3.135 10 5 EGBERN C[S@](=O)Cc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000075139838 453866147 /nfs/dbraw/zinc/86/61/47/453866147.db2.gz WRPBDJXTZUIRBT-OAQYLSRUSA-N 0 0 325.777 3.265 10 5 EGBERN O=[N+]([O-])c1cnccc1Sc1nnc2sc3ccccc3n12 ZINC000066797679 453874761 /nfs/dbraw/zinc/87/47/61/453874761.db2.gz YOTBJPXOMXBGAH-UHFFFAOYSA-N 0 0 329.366 3.398 10 5 EGBERN CN(Cc1csc(Br)c1)c1ccncc1[N+](=O)[O-] ZINC000066810497 453876094 /nfs/dbraw/zinc/87/60/94/453876094.db2.gz MYUKCGOPIMWXFU-UHFFFAOYSA-N 0 0 328.191 3.450 10 5 EGBERN C[C@@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066934836 453886123 /nfs/dbraw/zinc/88/61/23/453886123.db2.gz AEQOMAOFYLVMGE-NSHDSACASA-N 0 0 340.426 3.081 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cc1 ZINC000053722932 453894640 /nfs/dbraw/zinc/89/46/40/453894640.db2.gz QVWIHPHAJRUHEG-KRWDZBQOSA-N 0 0 341.367 3.188 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067556223 453942985 /nfs/dbraw/zinc/94/29/85/453942985.db2.gz SENDYTYZNNLHQQ-UONOGXRCSA-N 0 0 327.340 3.281 10 5 EGBERN O=[N+]([O-])c1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000084133573 453971399 /nfs/dbraw/zinc/97/13/99/453971399.db2.gz FSCLRRIJKUUJAT-MRXNPFEDSA-N 0 0 332.425 3.490 10 5 EGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)n1 ZINC000067913677 453979944 /nfs/dbraw/zinc/97/99/44/453979944.db2.gz MFHWZVNJNJHXPK-LBPRGKRZSA-N 0 0 346.412 3.215 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000067941874 453982635 /nfs/dbraw/zinc/98/26/35/453982635.db2.gz IOPPQBVUPVSUQF-VIFPVBQESA-N 0 0 330.369 3.332 10 5 EGBERN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000068025327 453989925 /nfs/dbraw/zinc/98/99/25/453989925.db2.gz KLPBUZWCXTYCID-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN Cc1ncc(CNc2ncc(Br)cc2[N+](=O)[O-])s1 ZINC000042372947 454008831 /nfs/dbraw/zinc/00/88/31/454008831.db2.gz AURCOICYRLOYOD-UHFFFAOYSA-N 0 0 329.179 3.129 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)CCNC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000084808690 454011107 /nfs/dbraw/zinc/01/11/07/454011107.db2.gz IFSDATLKCLUECW-GFCCVEGCSA-N 0 0 336.388 3.060 10 5 EGBERN CC(=O)Nc1nc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000084807716 454011211 /nfs/dbraw/zinc/01/12/11/454011211.db2.gz LHNHACHIKAAHGK-SECBINFHSA-N 0 0 349.368 3.236 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000084807815 454011319 /nfs/dbraw/zinc/01/13/19/454011319.db2.gz PWLGMRQSPVDUOR-YDHLFZDLSA-N 0 0 337.372 3.092 10 5 EGBERN CC(=O)Nc1c(C)ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000055889179 454022001 /nfs/dbraw/zinc/02/20/01/454022001.db2.gz OUHVMIGQTNLUQB-UHFFFAOYSA-N 0 0 342.355 3.126 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(OCC)cc2)c1[N+](=O)[O-] ZINC000069221356 454087666 /nfs/dbraw/zinc/08/76/66/454087666.db2.gz UHDWGEVNROXFGI-LLVKDONJSA-N 0 0 346.387 3.160 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1(C)C ZINC000077355123 454096064 /nfs/dbraw/zinc/09/60/64/454096064.db2.gz JZNBYPMMHFXTMC-SNVBAGLBSA-N 0 0 326.780 3.417 10 5 EGBERN Cc1nccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000057222596 454113587 /nfs/dbraw/zinc/11/35/87/454113587.db2.gz MJNJWPDYTUZIKI-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN COc1ccc(OC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000191011595 455424670 /nfs/dbraw/zinc/42/46/70/455424670.db2.gz TYFGMITVTZLJNM-QFYYESIMSA-N 0 0 329.308 3.074 10 5 EGBERN Cc1c(CSc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000059122784 454253173 /nfs/dbraw/zinc/25/31/73/454253173.db2.gz BRMGVASLVAMJCJ-UHFFFAOYSA-N 0 0 327.369 3.171 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NCCc2ccsc2)c1[N+](=O)[O-] ZINC000046479109 454255159 /nfs/dbraw/zinc/25/51/59/454255159.db2.gz UYZHWIOIRPSIHL-UHFFFAOYSA-N 0 0 337.357 3.020 10 5 EGBERN Cc1sc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000046753976 454281081 /nfs/dbraw/zinc/28/10/81/454281081.db2.gz OHKUUHJRSIDANJ-UHFFFAOYSA-N 0 0 347.381 3.131 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000160142406 455432134 /nfs/dbraw/zinc/43/21/34/455432134.db2.gz UNKUOVFOAGQHFF-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN CC[C@H](NC(=O)NCc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090588236 454324755 /nfs/dbraw/zinc/32/47/55/454324755.db2.gz OQKWPZNRRMIVFN-HNNXBMFYSA-N 0 0 347.346 3.390 10 5 EGBERN Nc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000061442244 454340860 /nfs/dbraw/zinc/34/08/60/454340860.db2.gz XXCWJZSAZXQFHN-KRWDZBQOSA-N 0 0 337.335 3.289 10 5 EGBERN C[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000132542513 454347058 /nfs/dbraw/zinc/34/70/58/454347058.db2.gz RBULNYDXGRDCTO-JTQLQIEISA-N 0 0 337.173 3.323 10 5 EGBERN Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc(C2CC2)n1 ZINC000160266669 455442982 /nfs/dbraw/zinc/44/29/82/455442982.db2.gz BRSPAYZNMYSRKO-UHFFFAOYSA-N 0 0 346.774 3.405 10 5 EGBERN CCn1cc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000120897548 454361851 /nfs/dbraw/zinc/36/18/51/454361851.db2.gz BPGPTFKTHWLROG-UHFFFAOYSA-N 0 0 343.387 3.223 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc([N+](=O)[O-])c1 ZINC000121131611 454396115 /nfs/dbraw/zinc/39/61/15/454396115.db2.gz INXFTGQLAYTWEI-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000133141932 454396778 /nfs/dbraw/zinc/39/67/78/454396778.db2.gz ZHTZGAVSENAZNE-UHFFFAOYSA-N 0 0 331.715 3.113 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000134001608 454491327 /nfs/dbraw/zinc/49/13/27/454491327.db2.gz URMMZUULVMQPMG-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000064843659 454511762 /nfs/dbraw/zinc/51/17/62/454511762.db2.gz LSMKNXJNMVSQQL-UHFFFAOYSA-N 0 0 332.356 3.303 10 5 EGBERN CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134576492 454563238 /nfs/dbraw/zinc/56/32/38/454563238.db2.gz BLNMVUKDSRESAS-GHMZBOCLSA-N 0 0 332.447 3.246 10 5 EGBERN CCOc1cc(NCCCc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000092631052 454597192 /nfs/dbraw/zinc/59/71/92/454597192.db2.gz MOUZMOFFGHXDNU-UHFFFAOYSA-N 0 0 341.371 3.081 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccnc(N3CCCC3)c2)c1 ZINC000080543602 454597174 /nfs/dbraw/zinc/59/71/74/454597174.db2.gz UCSVWNHYYBHLHC-UHFFFAOYSA-N 0 0 346.362 3.350 10 5 EGBERN COC(=O)NCc1ccc(Nc2cc(OC)cc(F)c2[N+](=O)[O-])cc1 ZINC000092655439 454601701 /nfs/dbraw/zinc/60/17/01/454601701.db2.gz WLQKJKMRHOMCKX-UHFFFAOYSA-N 0 0 349.318 3.342 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2cccc(-n3cncn3)c2)c1 ZINC000092655848 454601862 /nfs/dbraw/zinc/60/18/62/454601862.db2.gz CVNRRJUVVQGDSU-UHFFFAOYSA-N 0 0 330.275 3.116 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000074764160 454631255 /nfs/dbraw/zinc/63/12/55/454631255.db2.gz VXEUHJASXKNFMD-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000074809513 454638876 /nfs/dbraw/zinc/63/88/76/454638876.db2.gz FWQYHEGVKAWOLH-UKRRQHHQSA-N 0 0 348.790 3.358 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)n[nH]2)s1 ZINC000105648770 454648508 /nfs/dbraw/zinc/64/85/08/454648508.db2.gz SIVQGZMNCIOELY-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN COc1cc(OC)c(CNc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000052434032 454673492 /nfs/dbraw/zinc/67/34/92/454673492.db2.gz KEPCZSUHIAXZSG-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000152705641 454715574 /nfs/dbraw/zinc/71/55/74/454715574.db2.gz LAYTYKFAOPPBFL-GJZGRUSLSA-N 0 0 340.335 3.108 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000124691151 454760674 /nfs/dbraw/zinc/76/06/74/454760674.db2.gz LDXFLPNKFKYVAU-UHFFFAOYSA-N 0 0 344.458 3.310 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153184603 454768423 /nfs/dbraw/zinc/76/84/23/454768423.db2.gz KXOSQSQZOIDVLL-LLVKDONJSA-N 0 0 330.340 3.190 10 5 EGBERN C[C@@H](Sc1nnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000137878940 454786819 /nfs/dbraw/zinc/78/68/19/454786819.db2.gz BNGLTADETOTLJW-GFCCVEGCSA-N 0 0 341.396 3.483 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000176822020 454787174 /nfs/dbraw/zinc/78/71/74/454787174.db2.gz CVSCIUYDDCAATE-LLVKDONJSA-N 0 0 331.372 3.309 10 5 EGBERN O=C(NCCOCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177079455 454820686 /nfs/dbraw/zinc/82/06/86/454820686.db2.gz MHPWAWWFEABAHG-UHFFFAOYSA-N 0 0 339.351 3.023 10 5 EGBERN CCc1ccccc1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125429910 454821378 /nfs/dbraw/zinc/82/13/78/454821378.db2.gz JYJLXOQBNQDFOJ-UHFFFAOYSA-N 0 0 334.397 3.173 10 5 EGBERN CCCc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000153822800 454837451 /nfs/dbraw/zinc/83/74/51/454837451.db2.gz PQIHJCHYAKBZAT-UHFFFAOYSA-N 0 0 325.328 3.071 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000110314000 454844141 /nfs/dbraw/zinc/84/41/41/454844141.db2.gz CMYOOCJLDFZCQT-GUYCJALGSA-N 0 0 326.352 3.197 10 5 EGBERN COc1cccc([C@@H]2CN(c3c(C)cccc3[N+](=O)[O-])CCO2)c1 ZINC000154128957 454867407 /nfs/dbraw/zinc/86/74/07/454867407.db2.gz DQJUEUNVWKCUHU-KRWDZBQOSA-N 0 0 328.368 3.490 10 5 EGBERN CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000126153744 454874424 /nfs/dbraw/zinc/87/44/24/454874424.db2.gz APEHKLGDJZJIHF-OAHLLOKOSA-N 0 0 344.415 3.064 10 5 EGBERN Cc1c(Br)c(N[C@H](C)[C@@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165721473 454903083 /nfs/dbraw/zinc/90/30/83/454903083.db2.gz ASYXVUPMMNIRHF-SCZZXKLOSA-N 0 0 330.182 3.040 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H](C(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000177803451 454908079 /nfs/dbraw/zinc/90/80/79/454908079.db2.gz APSAAZAORVMBFJ-SNVBAGLBSA-N 0 0 346.305 3.469 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000178016775 454927419 /nfs/dbraw/zinc/92/74/19/454927419.db2.gz MBOSFBPLILQSMH-KRWDZBQOSA-N 0 0 332.331 3.013 10 5 EGBERN C[C@@H](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000127544953 454976022 /nfs/dbraw/zinc/97/60/22/454976022.db2.gz XUNBVOBOPRYRFS-ZDVLTJLQSA-N 0 0 325.217 3.471 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000170804530 454980498 /nfs/dbraw/zinc/98/04/98/454980498.db2.gz VARGDLIWSCWZLH-LLVKDONJSA-N 0 0 334.401 3.262 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000155331455 454987592 /nfs/dbraw/zinc/98/75/92/454987592.db2.gz GXFVDLHODJUJQQ-UHFFFAOYSA-N 0 0 348.428 3.025 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc(F)cc2[N+](=O)[O-])no1 ZINC000127743612 454993013 /nfs/dbraw/zinc/99/30/13/454993013.db2.gz ASPZXEONWFWUSO-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115230628 455006721 /nfs/dbraw/zinc/00/67/21/455006721.db2.gz PXVQKPTWJYPZLO-AWEZNQCLSA-N 0 0 343.383 3.368 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000155528513 455012525 /nfs/dbraw/zinc/01/25/25/455012525.db2.gz IGFVEPWVPICGGW-UHFFFAOYSA-N 0 0 342.336 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000151713937 455021150 /nfs/dbraw/zinc/02/11/50/455021150.db2.gz JUOUNEZAVLGXHT-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN CC(C)CC(C)(C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155702289 455033748 /nfs/dbraw/zinc/03/37/48/455033748.db2.gz CIRPRUHFTIINPQ-UHFFFAOYSA-N 0 0 328.434 3.087 10 5 EGBERN Cc1sc(C(=O)NCc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC000155731114 455037335 /nfs/dbraw/zinc/03/73/35/455037335.db2.gz WCKRXONDBLROJF-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN CCCN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2C1 ZINC000171308419 455060421 /nfs/dbraw/zinc/06/04/21/455060421.db2.gz ZWDZZEVSDAEBDA-UHFFFAOYSA-N 0 0 340.383 3.276 10 5 EGBERN Cc1noc(C)c1[C@@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152051887 455066348 /nfs/dbraw/zinc/06/63/48/455066348.db2.gz BWKMKUVFPJFHMM-VIFPVBQESA-N 0 0 342.355 3.214 10 5 EGBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000128622058 455072518 /nfs/dbraw/zinc/07/25/18/455072518.db2.gz JZELJHVXTFLNBZ-QMTHXVAHSA-N 0 0 330.315 3.028 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000171832967 455096576 /nfs/dbraw/zinc/09/65/76/455096576.db2.gz LVSMQNNKLBDCAI-NVXWUHKLSA-N 0 0 325.368 3.198 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152417936 455116144 /nfs/dbraw/zinc/11/61/44/455116144.db2.gz CGEMQYVWUBFESC-GFCCVEGCSA-N 0 0 345.378 3.040 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000129845681 455129068 /nfs/dbraw/zinc/12/90/68/455129068.db2.gz RAWMZASOHASOGE-CQSZACIVSA-N 0 0 342.399 3.160 10 5 EGBERN COC(=O)C1CCC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000180130777 455137115 /nfs/dbraw/zinc/13/71/15/455137115.db2.gz XLWLYSROTNFFGU-UHFFFAOYSA-N 0 0 340.763 3.166 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172968404 455214990 /nfs/dbraw/zinc/21/49/90/455214990.db2.gz MJQFLMFGLRIZTR-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000265370527 455314234 /nfs/dbraw/zinc/31/42/34/455314234.db2.gz VUYDPQGTVOYISB-ZDUSSCGKSA-N 0 0 328.372 3.079 10 5 EGBERN Cc1cc(NC(=O)c2cncc(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183684568 455320377 /nfs/dbraw/zinc/32/03/77/455320377.db2.gz ZPFRSCIZWAXAJC-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158844751 455332396 /nfs/dbraw/zinc/33/23/96/455332396.db2.gz JUDGRSRJHSHWLV-QGZVFWFLSA-N 0 0 332.356 3.078 10 5 EGBERN Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000174512532 455398948 /nfs/dbraw/zinc/39/89/48/455398948.db2.gz NMRMCEIZZGXZNC-QGZVFWFLSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])o1 ZINC000182118403 455438995 /nfs/dbraw/zinc/43/89/95/455438995.db2.gz MGKZRCIQMSVCFB-LLVKDONJSA-N 0 0 336.731 3.485 10 5 EGBERN CC(C)c1nnc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)o1 ZINC000175501078 455455083 /nfs/dbraw/zinc/45/50/83/455455083.db2.gz LMJFZDWFDVLVSR-LLVKDONJSA-N 0 0 344.371 3.012 10 5 EGBERN CCOc1ccccc1[C@H](CC)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191588633 455500962 /nfs/dbraw/zinc/50/09/62/455500962.db2.gz AWYIRGLVYUPJEI-ZDUSSCGKSA-N 0 0 346.387 3.091 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160859303 455505655 /nfs/dbraw/zinc/50/56/55/455505655.db2.gz SBFROAFNVQFMRU-QFYYESIMSA-N 0 0 329.356 3.211 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC000191633705 455505747 /nfs/dbraw/zinc/50/57/47/455505747.db2.gz PIWLRFHDIYIYJV-OAHLLOKOSA-N 0 0 342.399 3.487 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CSc3ccccc32)n1 ZINC000191686508 455510694 /nfs/dbraw/zinc/51/06/94/455510694.db2.gz HWGNWJZCGWSPDP-NSHDSACASA-N 0 0 346.412 3.200 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2NC2CC2)n1 ZINC000191834269 455524076 /nfs/dbraw/zinc/52/40/76/455524076.db2.gz GKQOADCLCXJQOH-UHFFFAOYSA-N 0 0 349.778 3.291 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000191869807 455527188 /nfs/dbraw/zinc/52/71/88/455527188.db2.gz QJVVFNGVKZUVTG-LBPRGKRZSA-N 0 0 338.385 3.153 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000176036316 455531149 /nfs/dbraw/zinc/53/11/49/455531149.db2.gz CCOGOYBJXZUHMU-HZPDHXFCSA-N 0 0 341.367 3.479 10 5 EGBERN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161084030 455532079 /nfs/dbraw/zinc/53/20/79/455532079.db2.gz PMFXMYDLAFISSZ-MFKMUULPSA-N 0 0 334.401 3.119 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239471 455576981 /nfs/dbraw/zinc/57/69/81/455576981.db2.gz WSIOUDYIBFYOSB-LZQZEXGQSA-N 0 0 348.443 3.487 10 5 EGBERN CCCn1ccnc1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000192260864 455583814 /nfs/dbraw/zinc/58/38/14/455583814.db2.gz GSPYFDZYDXSCSQ-UHFFFAOYSA-N 0 0 344.415 3.215 10 5 EGBERN O=C(Nc1cnc(C2CC2)nc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601035332 460683410 /nfs/dbraw/zinc/68/34/10/460683410.db2.gz FNOUXYLKBCDYBS-UHFFFAOYSA-N 0 0 338.367 3.323 10 5 EGBERN CO[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277757931 455657027 /nfs/dbraw/zinc/65/70/27/455657027.db2.gz QWLVDKLNTOCXLP-ZDUSSCGKSA-N 0 0 336.391 3.345 10 5 EGBERN COC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277797848 455669723 /nfs/dbraw/zinc/66/97/23/455669723.db2.gz NYZVANIBJQMMIY-UHFFFAOYSA-N 0 0 336.391 3.345 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000277843908 455682594 /nfs/dbraw/zinc/68/25/94/455682594.db2.gz JAMUIVGAWVFZMX-GFCCVEGCSA-N 0 0 348.790 3.098 10 5 EGBERN CSc1cccc(C(=O)N2CCOc3ccccc32)c1[N+](=O)[O-] ZINC000186115524 455696743 /nfs/dbraw/zinc/69/67/43/455696743.db2.gz GNZRNXWIQDLAKH-UHFFFAOYSA-N 0 0 330.365 3.356 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000192847827 455705562 /nfs/dbraw/zinc/70/55/62/455705562.db2.gz MIBWKESWNQIWKZ-UHFFFAOYSA-N 0 0 343.261 3.096 10 5 EGBERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000284566026 455706326 /nfs/dbraw/zinc/70/63/26/455706326.db2.gz IIGWPGWRYHEWBR-JKDFXYPNSA-N 0 0 337.395 3.226 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)NCc2ccccc2[N+](=O)[O-])cs1 ZINC000186219816 455719585 /nfs/dbraw/zinc/71/95/85/455719585.db2.gz DURXKIUZCCPJRG-OAHLLOKOSA-N 0 0 346.412 3.406 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000616994405 460692617 /nfs/dbraw/zinc/69/26/17/460692617.db2.gz XMOKPCXAMXABJB-HNNXBMFYSA-N 0 0 329.356 3.063 10 5 EGBERN Cc1cnc([C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000186384720 455757605 /nfs/dbraw/zinc/75/76/05/455757605.db2.gz FASCENWJVXWVKU-SECBINFHSA-N 0 0 344.396 3.375 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCOC1 ZINC000278283471 455806145 /nfs/dbraw/zinc/80/61/45/455806145.db2.gz ZEKNKCCFNARWLG-OLZOCXBDSA-N 0 0 336.391 3.248 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCc2ccccc2C1 ZINC000270224011 455906187 /nfs/dbraw/zinc/90/61/87/455906187.db2.gz MTJNGPJSIYROIJ-INIZCTEOSA-N 0 0 349.390 3.292 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000272334873 455917596 /nfs/dbraw/zinc/91/75/96/455917596.db2.gz LGGSQEPLEDIMGG-UKRRQHHQSA-N 0 0 335.404 3.164 10 5 EGBERN COc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000187574071 455926995 /nfs/dbraw/zinc/92/69/95/455926995.db2.gz OZDQCTIABONAKB-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN CCN(CC(F)(F)F)C(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000601081504 460702108 /nfs/dbraw/zinc/70/21/08/460702108.db2.gz PCCDJKPOJULJNU-UHFFFAOYSA-N 0 0 340.298 3.237 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000195347373 455948120 /nfs/dbraw/zinc/94/81/20/455948120.db2.gz NOIKUFYPIBYMLT-UHFFFAOYSA-N 0 0 343.362 3.303 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000187808205 455955576 /nfs/dbraw/zinc/95/55/76/455955576.db2.gz LXWYAPQRFBUUJI-UHFFFAOYSA-N 0 0 347.415 3.228 10 5 EGBERN CCOc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000198366705 456005608 /nfs/dbraw/zinc/00/56/08/456005608.db2.gz UQBCFZYQCPTILT-UHFFFAOYSA-N 0 0 341.367 3.193 10 5 EGBERN CC[C@H](NC(=O)c1cc(O)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188135988 456006907 /nfs/dbraw/zinc/00/69/07/456006907.db2.gz KXDHOPSZYXEUKN-HNNXBMFYSA-N 0 0 330.340 3.190 10 5 EGBERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270759363 456031763 /nfs/dbraw/zinc/03/17/63/456031763.db2.gz FBTSWUYTWLZUCW-CABCVRRESA-N 0 0 342.399 3.127 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000270763816 456033935 /nfs/dbraw/zinc/03/39/35/456033935.db2.gz GCKZNZHIBWUOHI-UHFFFAOYSA-N 0 0 348.790 3.181 10 5 EGBERN CN(C)c1cccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601108949 460713763 /nfs/dbraw/zinc/71/37/63/460713763.db2.gz KXSZGPSLUMWDBU-UHFFFAOYSA-N 0 0 343.309 3.025 10 5 EGBERN CC(C)N(Cc1cccc(Cl)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270820501 456046693 /nfs/dbraw/zinc/04/66/93/456046693.db2.gz QYDXTCXSKMQJBY-UHFFFAOYSA-N 0 0 336.779 3.033 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC=C(Br)C1 ZINC000286496724 456048517 /nfs/dbraw/zinc/04/85/17/456048517.db2.gz PZBGQSDGUNAXEX-UHFFFAOYSA-N 0 0 325.162 3.286 10 5 EGBERN Cc1nc2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301280323 456080122 /nfs/dbraw/zinc/08/01/22/456080122.db2.gz NZLTUGFWAVGZDE-UHFFFAOYSA-N 0 0 331.763 3.413 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000188709923 456119230 /nfs/dbraw/zinc/11/92/30/456119230.db2.gz ZFEFYEIVBSCDED-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN COC(=O)c1cc(NCc2ccc(OC)cc2)cc(C)c1[N+](=O)[O-] ZINC000301540915 456142317 /nfs/dbraw/zinc/14/23/17/456142317.db2.gz CEGAZXUKZVOCOQ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CO[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000231683034 456143275 /nfs/dbraw/zinc/14/32/75/456143275.db2.gz JYEYEJKACGNZDI-IUCAKERBSA-N 0 0 330.182 3.040 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281148764 456146779 /nfs/dbraw/zinc/14/67/79/456146779.db2.gz VTYMYQKHODSILU-AWEZNQCLSA-N 0 0 348.790 3.349 10 5 EGBERN O=C1C[C@@H](CNc2ccccc2[N+](=O)[O-])CN1CCc1ccccc1 ZINC000301576813 456150381 /nfs/dbraw/zinc/15/03/81/456150381.db2.gz QREPFVPODMRZTR-INIZCTEOSA-N 0 0 339.395 3.098 10 5 EGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccncc1 ZINC000601119173 460717138 /nfs/dbraw/zinc/71/71/38/460717138.db2.gz OMZAPQDLTUOQIT-SECBINFHSA-N 0 0 329.282 3.305 10 5 EGBERN Cc1cccc2c1ncnc2N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000301685604 456186087 /nfs/dbraw/zinc/18/60/87/456186087.db2.gz UHKSUNOFGJATNN-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]1c1cccc(F)c1 ZINC000601122126 460718158 /nfs/dbraw/zinc/71/81/58/460718158.db2.gz YGQWYOJHQMJCTK-JTQLQIEISA-N 0 0 344.268 3.438 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[C@H]3c3ccccc3)cc2N1 ZINC000301697232 456190346 /nfs/dbraw/zinc/19/03/46/456190346.db2.gz QJZDRVQWESWTLL-STQMWFEESA-N 0 0 339.351 3.141 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000297381265 456205191 /nfs/dbraw/zinc/20/51/91/456205191.db2.gz KZKJDCXIIXIDGZ-WBMJQRKESA-N 0 0 345.403 3.323 10 5 EGBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000301805297 456219191 /nfs/dbraw/zinc/21/91/91/456219191.db2.gz BJUBWPHWTKFKLB-MRXNPFEDSA-N 0 0 347.802 3.360 10 5 EGBERN C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094118 456224746 /nfs/dbraw/zinc/22/47/46/456224746.db2.gz SIDCFVKRZZXVAG-GFCCVEGCSA-N 0 0 345.424 3.034 10 5 EGBERN Cn1nc2c(c1CNC(C)(C)c1ccccc1[N+](=O)[O-])CCCC2 ZINC000601123852 460720036 /nfs/dbraw/zinc/72/00/36/460720036.db2.gz MAXNNERSCDTOEK-UHFFFAOYSA-N 0 0 328.416 3.232 10 5 EGBERN Cc1cnc([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601126611 460721560 /nfs/dbraw/zinc/72/15/60/460721560.db2.gz WEHTXAQYGZWTFH-LURJTMIESA-N 0 0 335.311 3.285 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1COC2(CCCCC2)O1 ZINC000302047939 456275732 /nfs/dbraw/zinc/27/57/32/456275732.db2.gz YXWHNVJJEWJWGD-LLVKDONJSA-N 0 0 327.768 3.131 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302068174 456279505 /nfs/dbraw/zinc/27/95/05/456279505.db2.gz WWQIQBUDCALZRQ-PXAZEXFGSA-N 0 0 333.388 3.183 10 5 EGBERN CS[C@@H]1CCCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601132880 460725230 /nfs/dbraw/zinc/72/52/30/460725230.db2.gz PTFKJINHJPXAMV-MRVPVSSYSA-N 0 0 338.355 3.069 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccccc3)C2)c1 ZINC000302094814 456286230 /nfs/dbraw/zinc/28/62/30/456286230.db2.gz NOPSGMWDFWCMNV-HNNXBMFYSA-N 0 0 326.352 3.375 10 5 EGBERN Cc1c([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000302160103 456303301 /nfs/dbraw/zinc/30/33/01/456303301.db2.gz OTTSBUGGARNGFQ-SNVBAGLBSA-N 0 0 342.334 3.191 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@](C)(COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000297828484 456304426 /nfs/dbraw/zinc/30/44/26/456304426.db2.gz GKYTZKODNGWSAO-DOTOQJQBSA-N 0 0 335.404 3.114 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2O)nc1OCc1ccccc1 ZINC000302179181 456308171 /nfs/dbraw/zinc/30/81/71/456308171.db2.gz PUYHZEPMCHNVSH-ZBFHGGJFSA-N 0 0 343.383 3.142 10 5 EGBERN O=[N+]([O-])c1c(N2Cc3ccccc3C3(CC3)C2)nc2sccn21 ZINC000302426752 456342090 /nfs/dbraw/zinc/34/20/90/456342090.db2.gz KHRJALBLQWCTLO-UHFFFAOYSA-N 0 0 326.381 3.356 10 5 EGBERN COCCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000275922366 456351543 /nfs/dbraw/zinc/35/15/43/456351543.db2.gz YLEUTAWEMNMADF-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN COc1cc(Br)ccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000302549961 456357905 /nfs/dbraw/zinc/35/79/05/456357905.db2.gz VWVTXCOLMYASRU-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN COc1cc2c(cc1F)ncnc2Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC000302566962 456361130 /nfs/dbraw/zinc/36/11/30/456361130.db2.gz NSTLNVGPQVZTGT-UHFFFAOYSA-N 0 0 343.270 3.291 10 5 EGBERN CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000302681574 456374058 /nfs/dbraw/zinc/37/40/58/456374058.db2.gz SEEGNWGMDNXHEF-LBPRGKRZSA-N 0 0 326.418 3.379 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC000290589156 456375870 /nfs/dbraw/zinc/37/58/70/456375870.db2.gz XWABROZWDALHQE-SWLSCSKDSA-N 0 0 327.388 3.159 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352885015 456388342 /nfs/dbraw/zinc/38/83/42/456388342.db2.gz VGKMYTQYTLCITP-LBPRGKRZSA-N 0 0 335.385 3.128 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352897852 456398672 /nfs/dbraw/zinc/39/86/72/456398672.db2.gz BMHCYOHLWOWNSV-ZIAGYGMSSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000302827453 456412995 /nfs/dbraw/zinc/41/29/95/456412995.db2.gz BLDBSZGGZGGUDQ-UHFFFAOYSA-N 0 0 331.346 3.300 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](C2CC2)C1 ZINC000290829784 456439839 /nfs/dbraw/zinc/43/98/39/456439839.db2.gz HLVOMEWLHXDJGJ-CYBMUJFWSA-N 0 0 325.368 3.405 10 5 EGBERN CC(C)(C)c1csc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000353001567 456440182 /nfs/dbraw/zinc/44/01/82/456440182.db2.gz RWNLMOBWWIJHIT-UHFFFAOYSA-N 0 0 332.429 3.302 10 5 EGBERN COc1cc(N2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290899236 456461054 /nfs/dbraw/zinc/46/10/54/456461054.db2.gz UZCZOFMPTGETQI-JTQLQIEISA-N 0 0 340.742 3.044 10 5 EGBERN CCOc1cc(N2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000343221453 456462449 /nfs/dbraw/zinc/46/24/49/456462449.db2.gz BHIWIYKDFYIELR-UHFFFAOYSA-N 0 0 328.372 3.021 10 5 EGBERN COc1cccc(C(=O)NCCc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC000337671466 456472193 /nfs/dbraw/zinc/47/21/93/456472193.db2.gz XOVLYXKJDLXVDD-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN C[C@H]1CC[C@@H](c2ccccc2)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291059975 456513325 /nfs/dbraw/zinc/51/33/25/456513325.db2.gz FNKRMKBOQFZPAP-WFASDCNBSA-N 0 0 340.383 3.066 10 5 EGBERN Cc1ccnc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)n1 ZINC000348195696 456530118 /nfs/dbraw/zinc/53/01/18/456530118.db2.gz YJSOIXYJYWFPHC-UHFFFAOYSA-N 0 0 326.356 3.283 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348237223 456557966 /nfs/dbraw/zinc/55/79/66/456557966.db2.gz YMRFZKNHEGSDFS-HBNTYKKESA-N 0 0 345.321 3.195 10 5 EGBERN Cc1cnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)o1 ZINC000343373535 456569912 /nfs/dbraw/zinc/56/99/12/456569912.db2.gz JDVBWTVLCVRWRH-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1coc(C2CCCC2)n1 ZINC000337868425 456578464 /nfs/dbraw/zinc/57/84/64/456578464.db2.gz MBOFELSHYOWCAO-UHFFFAOYSA-N 0 0 329.356 3.213 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000291256097 456580585 /nfs/dbraw/zinc/58/05/85/456580585.db2.gz FWPBLUMYBLEUGI-UHFFFAOYSA-N 0 0 329.360 3.467 10 5 EGBERN Cc1nc(-c2ccccc2)sc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000343450045 456629358 /nfs/dbraw/zinc/62/93/58/456629358.db2.gz DZQDLLWOJXBRBY-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC(C)[C@@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000353321876 456636868 /nfs/dbraw/zinc/63/68/68/456636868.db2.gz IRAVTKYKYPSEQV-CYBMUJFWSA-N 0 0 349.309 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000338006649 456653559 /nfs/dbraw/zinc/65/35/59/456653559.db2.gz VIFKSLALUVGMOG-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CC[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338260274 456737561 /nfs/dbraw/zinc/73/75/61/456737561.db2.gz RFBJNCVDJWRCMN-HNNXBMFYSA-N 0 0 342.399 3.457 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000299602430 456740502 /nfs/dbraw/zinc/74/05/02/456740502.db2.gz HGFUUDMEKXXXOY-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCC[C@@H](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277272129 456753703 /nfs/dbraw/zinc/75/37/03/456753703.db2.gz RPLHIYMKFIOBKM-LLVKDONJSA-N 0 0 349.387 3.344 10 5 EGBERN CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353555928 456757525 /nfs/dbraw/zinc/75/75/25/456757525.db2.gz PTEVYLQBQRCOTN-HNNXBMFYSA-N 0 0 345.424 3.284 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@H](CO)c2cccnc2)c(Cl)c1 ZINC000340935271 456769428 /nfs/dbraw/zinc/76/94/28/456769428.db2.gz NHMNRACBSBQMDZ-SNVBAGLBSA-N 0 0 342.182 3.485 10 5 EGBERN CC(C)(C)Oc1cc(NC[C@@H](CO)c2cccnc2)ccc1[N+](=O)[O-] ZINC000340938935 456771775 /nfs/dbraw/zinc/77/17/75/456771775.db2.gz QQVWOYTUGUWXQK-AWEZNQCLSA-N 0 0 345.399 3.355 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000348637401 456794173 /nfs/dbraw/zinc/79/41/73/456794173.db2.gz WFRKUKHMDFURHJ-AWEZNQCLSA-N 0 0 328.368 3.268 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000344081471 456795007 /nfs/dbraw/zinc/79/50/07/456795007.db2.gz BWYHXNMKRPEYJX-SNVBAGLBSA-N 0 0 349.416 3.061 10 5 EGBERN CS(=O)(=O)c1ccc(Sc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301249167 456834052 /nfs/dbraw/zinc/83/40/52/456834052.db2.gz AKJMXVBNOAFBEX-UHFFFAOYSA-N 0 0 344.801 3.198 10 5 EGBERN CCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341304200 456837424 /nfs/dbraw/zinc/83/74/24/456837424.db2.gz CIIBPBBZCCMSGB-LBPRGKRZSA-N 0 0 341.367 3.434 10 5 EGBERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC000341311898 456841541 /nfs/dbraw/zinc/84/15/41/456841541.db2.gz WRLICHDVFCQHJY-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1[N+](=O)[O-] ZINC000341328302 456850075 /nfs/dbraw/zinc/85/00/75/456850075.db2.gz KUALOFPKOZLOOQ-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339014228 456901211 /nfs/dbraw/zinc/90/12/11/456901211.db2.gz RFLRYMCAEJHAPV-LJQANCHMSA-N 0 0 344.411 3.320 10 5 EGBERN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341723823 456915830 /nfs/dbraw/zinc/91/58/30/456915830.db2.gz WFLIWCOULRFRRP-PRHODGIISA-N 0 0 345.193 3.357 10 5 EGBERN CCNc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-] ZINC000341737125 456921762 /nfs/dbraw/zinc/92/17/62/456921762.db2.gz KMKCAWOYUNTAHI-UHFFFAOYSA-N 0 0 341.371 3.021 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCS1 ZINC000341738840 456922279 /nfs/dbraw/zinc/92/22/79/456922279.db2.gz RAFUYYONHXMQAS-SNVBAGLBSA-N 0 0 331.191 3.191 10 5 EGBERN Cc1ccc(C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cn1 ZINC000339082933 456932077 /nfs/dbraw/zinc/93/20/77/456932077.db2.gz YDOYMZSZSOXXHF-UHFFFAOYSA-N 0 0 327.384 3.383 10 5 EGBERN CCc1noc(C)c1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000339084640 456933016 /nfs/dbraw/zinc/93/30/16/456933016.db2.gz KVJWUNWFCFYUDP-UHFFFAOYSA-N 0 0 328.328 3.047 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000358867831 457013598 /nfs/dbraw/zinc/01/35/98/457013598.db2.gz CLKRVAJPDVJDOL-MRXNPFEDSA-N 0 0 336.363 3.298 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000356483617 457014839 /nfs/dbraw/zinc/01/48/39/457014839.db2.gz ULIDHGOMGALDHI-AEFFLSMTSA-N 0 0 326.352 3.063 10 5 EGBERN CC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1 ZINC000358879739 457020455 /nfs/dbraw/zinc/02/04/55/457020455.db2.gz HAUQZBLIKNJZIM-UHFFFAOYSA-N 0 0 333.731 3.407 10 5 EGBERN CCOc1cc(N[C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000356509221 457029302 /nfs/dbraw/zinc/02/93/02/457029302.db2.gz UCTJKFGGDQSMRB-GFCCVEGCSA-N 0 0 345.403 3.485 10 5 EGBERN CSC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000362725045 457064027 /nfs/dbraw/zinc/06/40/27/457064027.db2.gz CYYHNENJQIDPHV-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2)n1 ZINC000342039854 457074597 /nfs/dbraw/zinc/07/45/97/457074597.db2.gz LKQZVKDJXXKBBV-CQSZACIVSA-N 0 0 328.372 3.179 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000354149961 457094972 /nfs/dbraw/zinc/09/49/72/457094972.db2.gz QXBAQTZLXAFWHP-SJLPKXTDSA-N 0 0 347.415 3.258 10 5 EGBERN Cc1c(Br)cc(C(=O)NCC[C@H](C)F)cc1[N+](=O)[O-] ZINC000356642182 457097673 /nfs/dbraw/zinc/09/76/73/457097673.db2.gz GONVZFLPCKUBJB-ZETCQYMHSA-N 0 0 333.157 3.144 10 5 EGBERN CC(=O)c1cc(NCc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000342089112 457102384 /nfs/dbraw/zinc/10/23/84/457102384.db2.gz QWRHFAWAHVITRC-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN C[C@H](F)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356692897 457121436 /nfs/dbraw/zinc/12/14/36/457121436.db2.gz SENQPIVPUOZCQG-QMMMGPOBSA-N 0 0 338.257 3.014 10 5 EGBERN COc1cc(CC2CN(Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000362852960 457125521 /nfs/dbraw/zinc/12/55/21/457125521.db2.gz KDZVTAZYRWAYEA-UHFFFAOYSA-N 0 0 348.424 3.348 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356720462 457133252 /nfs/dbraw/zinc/13/32/52/457133252.db2.gz CFKINELHQXWHOP-UKRRQHHQSA-N 0 0 331.416 3.359 10 5 EGBERN CC[C@]1(C)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331155847 457139691 /nfs/dbraw/zinc/13/96/91/457139691.db2.gz VPKLKKUDSNUBHZ-MRXNPFEDSA-N 0 0 326.343 3.454 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)COC1 ZINC000346739110 457141139 /nfs/dbraw/zinc/14/11/39/457141139.db2.gz UAXBPKARFJIIDQ-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN CCOc1cc(NCc2c3c(nn2C)CCCC3)ccc1[N+](=O)[O-] ZINC000359981178 457183994 /nfs/dbraw/zinc/18/39/94/457183994.db2.gz LWEBUGJEHNEDPO-UHFFFAOYSA-N 0 0 330.388 3.218 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(OC[C@H]2CCCO2)c1 ZINC000342272098 457203077 /nfs/dbraw/zinc/20/30/77/457203077.db2.gz JTYATWGQNYHZRG-MRXNPFEDSA-N 0 0 343.383 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000363409935 457316619 /nfs/dbraw/zinc/31/66/19/457316619.db2.gz ALSDUNVNYAVHFW-MRXNPFEDSA-N 0 0 326.352 3.197 10 5 EGBERN CS[C@H](C)CCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000360765376 457342314 /nfs/dbraw/zinc/34/23/14/457342314.db2.gz RZWRJJBPHPRYRG-LLVKDONJSA-N 0 0 333.413 3.344 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@H](CSC)C2)cc1[N+](=O)[O-] ZINC000347313175 457347704 /nfs/dbraw/zinc/34/77/04/457347704.db2.gz QJFLBANTFHTEML-LBPRGKRZSA-N 0 0 338.429 3.209 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(N)=O)c1 ZINC000357206343 457373034 /nfs/dbraw/zinc/37/30/34/457373034.db2.gz MVYUXTDQFNDIJU-UHFFFAOYSA-N 0 0 348.746 3.300 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000425004599 457403568 /nfs/dbraw/zinc/40/35/68/457403568.db2.gz NWXFWSGQKSNCMX-AEFFLSMTSA-N 0 0 344.342 3.036 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000425029162 457409138 /nfs/dbraw/zinc/40/91/38/457409138.db2.gz HTTIJBZVEVVVBN-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000369889849 457447206 /nfs/dbraw/zinc/44/72/06/457447206.db2.gz URGAVWNTSRPDRJ-LLVKDONJSA-N 0 0 328.372 3.185 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cncc4ccccc43)n2)nc1 ZINC000357327118 457448395 /nfs/dbraw/zinc/44/83/95/457448395.db2.gz CECQIXROLXWHKQ-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374162414 457502340 /nfs/dbraw/zinc/50/23/40/457502340.db2.gz NWECZEDZYYIKFB-BIMQEMHKSA-N 0 0 346.427 3.305 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370051158 457518941 /nfs/dbraw/zinc/51/89/41/457518941.db2.gz BMLROBQYCZZVRC-CQSZACIVSA-N 0 0 334.420 3.171 10 5 EGBERN COc1ccc(C[C@H](C)CNc2ccc([N+](=O)[O-])nc2)cc1OC ZINC000342781985 457523187 /nfs/dbraw/zinc/52/31/87/457523187.db2.gz RMHFITVVMROBFQ-LBPRGKRZSA-N 0 0 331.372 3.298 10 5 EGBERN CC1CCC(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000361033228 457528147 /nfs/dbraw/zinc/52/81/47/457528147.db2.gz SWFZWHJIKZUSRD-UHFFFAOYSA-N 0 0 326.343 3.453 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000347589593 457532293 /nfs/dbraw/zinc/53/22/93/457532293.db2.gz YEJOTLLPHZUCQM-MRXNPFEDSA-N 0 0 342.399 3.081 10 5 EGBERN C[C@@H]1c2ccccc2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060811 457554321 /nfs/dbraw/zinc/55/43/21/457554321.db2.gz XYCSMSYPCVSLCL-CYBMUJFWSA-N 0 0 337.379 3.061 10 5 EGBERN C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000357535333 457584734 /nfs/dbraw/zinc/58/47/34/457584734.db2.gz KJRIEUHJMPGGBK-UWVGGRQHSA-N 0 0 345.321 3.282 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000370362166 457629611 /nfs/dbraw/zinc/62/96/11/457629611.db2.gz RUAYPLAYTNVYBR-ZDUSSCGKSA-N 0 0 329.331 3.067 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000356453040 457633138 /nfs/dbraw/zinc/63/31/38/457633138.db2.gz NUABORSBUVNQRC-AWEZNQCLSA-N 0 0 348.424 3.092 10 5 EGBERN COc1ccc(C[C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cc1OC ZINC000361260017 457670456 /nfs/dbraw/zinc/67/04/56/457670456.db2.gz CUQPCYZGWJCTNV-LBPRGKRZSA-N 0 0 331.372 3.359 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374814789 457712511 /nfs/dbraw/zinc/71/25/11/457712511.db2.gz MUUWUPGANYBRLV-UHFFFAOYSA-N 0 0 345.330 3.229 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCn2ccnc21 ZINC000364971903 457720623 /nfs/dbraw/zinc/72/06/23/457720623.db2.gz ABEYUXOKAFKEEC-VIFPVBQESA-N 0 0 341.293 3.195 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cccs3)c2)n1 ZINC000357908054 457730589 /nfs/dbraw/zinc/73/05/89/457730589.db2.gz JASFXIRUIJPDDY-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN CC(C)Sc1ccc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000357911200 457731651 /nfs/dbraw/zinc/73/16/51/457731651.db2.gz NEIJOGQGOAUSOF-NSHDSACASA-N 0 0 348.428 3.320 10 5 EGBERN CCOc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000374971489 457743150 /nfs/dbraw/zinc/74/31/50/457743150.db2.gz JUCDTBBVIUKXNV-ZDUSSCGKSA-N 0 0 348.399 3.025 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@H](C)c2ccccc2)n1 ZINC000410892483 457767414 /nfs/dbraw/zinc/76/74/14/457767414.db2.gz NZPVTZRXQKPJHS-CYBMUJFWSA-N 0 0 330.388 3.423 10 5 EGBERN Cc1cc(Br)cc(C)c1CNc1ncc([N+](=O)[O-])s1 ZINC000443506102 457772450 /nfs/dbraw/zinc/77/24/50/457772450.db2.gz ANUCNVSRZVQJHF-UHFFFAOYSA-N 0 0 342.218 3.465 10 5 EGBERN COC[C@H]1CCCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411079703 457794374 /nfs/dbraw/zinc/79/43/74/457794374.db2.gz GYCBOKOYRCUMLO-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766017 457811141 /nfs/dbraw/zinc/81/11/41/457811141.db2.gz SBKQHERQVUAUKG-CZUORRHYSA-N 0 0 340.445 3.325 10 5 EGBERN CCC1(Cc2ccccc2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000366581909 457860621 /nfs/dbraw/zinc/86/06/21/457860621.db2.gz ONTDEJBHCYHYRI-UHFFFAOYSA-N 0 0 342.399 3.193 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccn3)CC2)c1 ZINC000371324439 457866544 /nfs/dbraw/zinc/86/65/44/457866544.db2.gz XFQBWAWCFJAGLC-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN CCOC(=O)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000411464250 457894979 /nfs/dbraw/zinc/89/49/79/457894979.db2.gz XUOZDBDSSGOADJ-LBPRGKRZSA-N 0 0 329.356 3.017 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cccnc2-n2ccnc2)c2ncccc12 ZINC000371402389 457911013 /nfs/dbraw/zinc/91/10/13/457911013.db2.gz XCBVNZNPYDZPKX-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000375451386 457936458 /nfs/dbraw/zinc/93/64/58/457936458.db2.gz RZEOSFRUVBIETR-LLVKDONJSA-N 0 0 335.795 3.390 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)CC(C)C)n1 ZINC000427197724 457957872 /nfs/dbraw/zinc/95/78/72/457957872.db2.gz REICQSSMWQSPGT-UHFFFAOYSA-N 0 0 344.415 3.152 10 5 EGBERN COC(=O)c1ncccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000427340963 457974567 /nfs/dbraw/zinc/97/45/67/457974567.db2.gz ZFSYNTFNEZCYNY-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427982574 458060505 /nfs/dbraw/zinc/06/05/05/458060505.db2.gz HBUNTKLKZBCTBF-ZDUSSCGKSA-N 0 0 325.368 3.417 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3coc(-c4ccccc4)n3)nc2c1 ZINC000428000988 458064009 /nfs/dbraw/zinc/06/40/09/458064009.db2.gz NMJJMENPVGMKPP-UHFFFAOYSA-N 0 0 335.323 3.160 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CCCc3ccccc32)n1 ZINC000445576717 458065504 /nfs/dbraw/zinc/06/55/04/458065504.db2.gz YMESUESWSLXLJU-LBPRGKRZSA-N 0 0 339.355 3.041 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC/C=C\c2ccccc2)n1 ZINC000445579927 458066098 /nfs/dbraw/zinc/06/60/98/458066098.db2.gz RBQMWRHUXWUOMD-UITAMQMPSA-N 0 0 325.328 3.024 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccccn3)cc2)n1 ZINC000362269258 458067172 /nfs/dbraw/zinc/06/71/72/458067172.db2.gz NHAZPPWJTCUTPV-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN CSc1nnc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)s1 ZINC000445613468 458071487 /nfs/dbraw/zinc/07/14/87/458071487.db2.gz POYRGAAUZGTXEE-UHFFFAOYSA-N 0 0 335.370 3.194 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCCSC ZINC000358645945 458126062 /nfs/dbraw/zinc/12/60/62/458126062.db2.gz HRDZPIPXLYFREE-UHFFFAOYSA-N 0 0 335.433 3.063 10 5 EGBERN COC1CCC(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000428369694 458128188 /nfs/dbraw/zinc/12/81/88/458128188.db2.gz JYUJEDNOBBZPNE-VQCLRJIVSA-N 0 0 349.431 3.469 10 5 EGBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458712801 458144213 /nfs/dbraw/zinc/14/42/13/458144213.db2.gz CZGNRNVXNYGEHG-SIXLDLHFSA-N 0 0 329.400 3.282 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(c1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000376003822 458159163 /nfs/dbraw/zinc/15/91/63/458159163.db2.gz OTIUHTBVUGXQSW-OHUAYANFSA-N 0 0 342.342 3.036 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435571474 458162942 /nfs/dbraw/zinc/16/29/42/458162942.db2.gz VRZNDNYLOBTKOY-DOTOQJQBSA-N 0 0 348.362 3.210 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(C)C)C2)cc1SC ZINC000446325699 458177625 /nfs/dbraw/zinc/17/76/25/458177625.db2.gz YTELXBSWILXBTF-LLVKDONJSA-N 0 0 338.429 3.443 10 5 EGBERN O=C(NC1CC(F)(F)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446341958 458180496 /nfs/dbraw/zinc/18/04/96/458180496.db2.gz PJFCKEGIEVHNKY-UHFFFAOYSA-N 0 0 328.318 3.209 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412454441 458208374 /nfs/dbraw/zinc/20/83/74/458208374.db2.gz FRPNEUAODGFKAW-QGZVFWFLSA-N 0 0 332.400 3.359 10 5 EGBERN CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000428790320 458211880 /nfs/dbraw/zinc/21/18/80/458211880.db2.gz WTXPWOJVQJLTRS-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000435999263 458234913 /nfs/dbraw/zinc/23/49/13/458234913.db2.gz XSRUHICGZLHTPI-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(N2CCCN(c3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000376234635 458243612 /nfs/dbraw/zinc/24/36/12/458243612.db2.gz HWKYTLFNXBMNHO-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN O=[N+]([O-])c1ccn(C2CCN(c3ncc(C(F)(F)F)s3)CC2)n1 ZINC000369636746 458298711 /nfs/dbraw/zinc/29/87/11/458298711.db2.gz HURZGJQFCBSKHX-UHFFFAOYSA-N 0 0 347.322 3.108 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(CCOCC2)[C@@H]1C ZINC000376461331 458306991 /nfs/dbraw/zinc/30/69/91/458306991.db2.gz LLPLJRKANZJSEQ-ZDUSSCGKSA-N 0 0 348.399 3.085 10 5 EGBERN CC(C)(C)c1csc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000447674599 458328103 /nfs/dbraw/zinc/32/81/03/458328103.db2.gz FEMRAAMWVOZLFV-UHFFFAOYSA-N 0 0 345.428 3.302 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](c4ccccc4F)C3)nc2c1 ZINC000447678809 458328578 /nfs/dbraw/zinc/32/85/78/458328578.db2.gz LYBVMLJVUIKHJI-INIZCTEOSA-N 0 0 342.330 3.188 10 5 EGBERN CC(C)[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1cccnc1 ZINC000447678639 458329268 /nfs/dbraw/zinc/32/92/68/458329268.db2.gz LCSGBDRMUBHFFX-CQSZACIVSA-N 0 0 325.372 3.140 10 5 EGBERN CN(C)c1cccc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447696991 458330897 /nfs/dbraw/zinc/33/08/97/458330897.db2.gz VSRHKSDNCHYUIF-UHFFFAOYSA-N 0 0 325.372 3.174 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809668 458344847 /nfs/dbraw/zinc/34/48/47/458344847.db2.gz BQWRYXUDBFDZQS-OAHLLOKOSA-N 0 0 345.443 3.196 10 5 EGBERN CC1=C[C@H](C)CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269645 458432712 /nfs/dbraw/zinc/43/27/12/458432712.db2.gz ROORLNXHPJLDJT-JQWIXIFHSA-N 0 0 337.807 3.473 10 5 EGBERN COC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000437370504 458449335 /nfs/dbraw/zinc/44/93/35/458449335.db2.gz HDAGTVPIJFXUDK-OAHLLOKOSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000377118598 458467435 /nfs/dbraw/zinc/46/74/35/458467435.db2.gz YMYRXQKPHHBJKF-QGZVFWFLSA-N 0 0 329.331 3.009 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn(C4CCCC4)nc32)nc1 ZINC000373381440 458476468 /nfs/dbraw/zinc/47/64/68/458476468.db2.gz CGGVHNWXKHNYLQ-AWEZNQCLSA-N 0 0 328.376 3.186 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000430786055 458491621 /nfs/dbraw/zinc/49/16/21/458491621.db2.gz NGZPCGYUFPZSTL-ACJLOTCBSA-N 0 0 332.400 3.321 10 5 EGBERN CC1=C[C@H](C)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430874727 458499843 /nfs/dbraw/zinc/49/98/43/458499843.db2.gz GTGHSZKEOLKZMG-ZDUSSCGKSA-N 0 0 326.400 3.393 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000424102395 458558850 /nfs/dbraw/zinc/55/88/50/458558850.db2.gz LQBNBUUNLUBDJH-DEOSSOPVSA-N 0 0 349.408 3.271 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438384828 458572478 /nfs/dbraw/zinc/57/24/78/458572478.db2.gz XXVNGGGPPDVGAT-DSJMHWKBSA-N 0 0 334.416 3.188 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000431496927 458581087 /nfs/dbraw/zinc/58/10/87/458581087.db2.gz ONWCRLOXPNYTOL-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN CC(=O)N1Cc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000378039421 458607223 /nfs/dbraw/zinc/60/72/23/458607223.db2.gz SEEIUZVRUMILRD-UHFFFAOYSA-N 0 0 332.747 3.249 10 5 EGBERN Cn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21 ZINC000431837064 458632639 /nfs/dbraw/zinc/63/26/39/458632639.db2.gz JEPGCPYKXWXPSQ-UHFFFAOYSA-N 0 0 341.342 3.198 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000439894981 458762668 /nfs/dbraw/zinc/76/26/68/458762668.db2.gz DSDZHPXILXINAU-TUAOUCFPSA-N 0 0 337.376 3.023 10 5 EGBERN C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813120 458777176 /nfs/dbraw/zinc/77/71/76/458777176.db2.gz HCIROOPGUXRSMW-QWRGUYRKSA-N 0 0 325.796 3.307 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813118 458777401 /nfs/dbraw/zinc/77/74/01/458777401.db2.gz HCIROOPGUXRSMW-GHMZBOCLSA-N 0 0 325.796 3.307 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000456869461 458807525 /nfs/dbraw/zinc/80/75/25/458807525.db2.gz MEYMPEXHGQBDKP-AWEZNQCLSA-N 0 0 326.443 3.324 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O ZINC000530856141 458835698 /nfs/dbraw/zinc/83/56/98/458835698.db2.gz XYUYSOHMLDWNCV-ZDSQKVDBSA-N 0 0 343.305 3.035 10 5 EGBERN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628457 458947806 /nfs/dbraw/zinc/94/78/06/458947806.db2.gz MMHMPOICLAEUDI-UHFFFAOYSA-N 0 0 334.335 3.228 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000531627738 458948894 /nfs/dbraw/zinc/94/88/94/458948894.db2.gz UNQJFYSMKJVTLJ-UHFFFAOYSA-N 0 0 343.358 3.224 10 5 EGBERN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000531628797 458948901 /nfs/dbraw/zinc/94/89/01/458948901.db2.gz JISGXOOJGKLRKI-JTQLQIEISA-N 0 0 334.401 3.150 10 5 EGBERN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633791 458950154 /nfs/dbraw/zinc/95/01/54/458950154.db2.gz RJROZPBZHBWXKE-UHFFFAOYSA-N 0 0 339.273 3.281 10 5 EGBERN COc1c(C(=O)N[C@H]2COc3c2ccc(C)c3C)cccc1[N+](=O)[O-] ZINC000475579637 458953175 /nfs/dbraw/zinc/95/31/75/458953175.db2.gz BPVCLMGENFRMNY-AWEZNQCLSA-N 0 0 342.351 3.084 10 5 EGBERN CC(C)COC1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000566807775 459003919 /nfs/dbraw/zinc/00/39/19/459003919.db2.gz UROSLVYQKGEWMW-UHFFFAOYSA-N 0 0 337.420 3.418 10 5 EGBERN CCc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000519889550 459019153 /nfs/dbraw/zinc/01/91/53/459019153.db2.gz WXZHLSGDUJOLHU-UHFFFAOYSA-N 0 0 340.426 3.434 10 5 EGBERN COc1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594521321 459078644 /nfs/dbraw/zinc/07/86/44/459078644.db2.gz UCNWRAHLUGLPLI-SMDDNHRTSA-N 0 0 348.321 3.193 10 5 EGBERN O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000532391756 459078955 /nfs/dbraw/zinc/07/89/55/459078955.db2.gz SQDGQUIZWIDSRE-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)C)cc1F ZINC000532391522 459079058 /nfs/dbraw/zinc/07/90/58/459079058.db2.gz ZNPJKVMQFJEDKU-UHFFFAOYSA-N 0 0 333.319 3.193 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000567297447 459081124 /nfs/dbraw/zinc/08/11/24/459081124.db2.gz IUXUPAWBNCLPEE-WBMJQRKESA-N 0 0 346.408 3.360 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178797 459098000 /nfs/dbraw/zinc/09/80/00/459098000.db2.gz BBSJFNOQIWHXLO-OLQIXAPSSA-N 0 0 348.443 3.452 10 5 EGBERN CC[C@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594601264 459105937 /nfs/dbraw/zinc/10/59/37/459105937.db2.gz NBMUSONYHUJNGF-WMLDXEAASA-N 0 0 349.431 3.493 10 5 EGBERN Cc1nn(C)c(N[C@@H](Cc2ccccc2)c2ncco2)c1[N+](=O)[O-] ZINC000594601908 459106366 /nfs/dbraw/zinc/10/63/66/459106366.db2.gz WOSCSVHCVKQVPH-ZDUSSCGKSA-N 0 0 327.344 3.021 10 5 EGBERN COC(=O)c1cc(N2Cc3ccc(OC)cc3C2)cc(C)c1[N+](=O)[O-] ZINC000594604320 459107074 /nfs/dbraw/zinc/10/70/74/459107074.db2.gz MWZLXRQUHGKADW-UHFFFAOYSA-N 0 0 342.351 3.219 10 5 EGBERN CCN1CC[C@H](Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)C1=O ZINC000594700371 459133777 /nfs/dbraw/zinc/13/37/77/459133777.db2.gz FELCKSINJRXWRV-INIZCTEOSA-N 0 0 340.383 3.371 10 5 EGBERN Cc1ccccc1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558151720 459135540 /nfs/dbraw/zinc/13/55/40/459135540.db2.gz XPGXQYSMEJJPNH-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000479496341 459142923 /nfs/dbraw/zinc/14/29/23/459142923.db2.gz ATWNBZMDTVYXET-CTYIDZIISA-N 0 0 342.399 3.479 10 5 EGBERN CC[C@@](C)(NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594862837 459163174 /nfs/dbraw/zinc/16/31/74/459163174.db2.gz QVQVAXWJWJIRBY-MRXNPFEDSA-N 0 0 349.412 3.000 10 5 EGBERN CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000558697437 459198957 /nfs/dbraw/zinc/19/89/57/459198957.db2.gz YCZUTWCJMAMSGH-UHFFFAOYSA-N 0 0 345.321 3.487 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000480570895 459205913 /nfs/dbraw/zinc/20/59/13/459205913.db2.gz FXMKRJGGKCFYBI-UHFFFAOYSA-N 0 0 345.399 3.463 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)c1sccc1C ZINC000595025888 459220911 /nfs/dbraw/zinc/22/09/11/459220911.db2.gz JVGDBPSJKMBXMR-SMDDNHRTSA-N 0 0 336.413 3.358 10 5 EGBERN Cc1cccc(NC[C@H](CO)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000558943558 459223802 /nfs/dbraw/zinc/22/38/02/459223802.db2.gz XVBTZRBFOSOBCP-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000595357415 459283022 /nfs/dbraw/zinc/28/30/22/459283022.db2.gz ZXQYPDRYCUFSAB-QGZVFWFLSA-N 0 0 332.331 3.013 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000595364964 459284375 /nfs/dbraw/zinc/28/43/75/459284375.db2.gz KZJBCPLLWCAUBT-LBPRGKRZSA-N 0 0 344.458 3.166 10 5 EGBERN CC(C)c1nn(C)cc1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000482079244 459289158 /nfs/dbraw/zinc/28/91/58/459289158.db2.gz UJRITTCSEXOLNR-LBPRGKRZSA-N 0 0 345.403 3.281 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435722 459300586 /nfs/dbraw/zinc/30/05/86/459300586.db2.gz UKGRBTHSNJMWLS-HNNXBMFYSA-N 0 0 349.362 3.130 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000591081322 459308448 /nfs/dbraw/zinc/30/84/48/459308448.db2.gz JMDWIHCOZSMODF-CYBMUJFWSA-N 0 0 328.315 3.300 10 5 EGBERN CC(C)[C@@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000523515423 459310914 /nfs/dbraw/zinc/31/09/14/459310914.db2.gz IAQMERJQYSWESO-LBPRGKRZSA-N 0 0 330.388 3.263 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595471742 459314901 /nfs/dbraw/zinc/31/49/01/459314901.db2.gz PIVQSGVDZHTUTO-CQSZACIVSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000483035166 459336327 /nfs/dbraw/zinc/33/63/27/459336327.db2.gz ISBDQQODBFPYGK-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN Cc1noc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1[N+](=O)[O-] ZINC000595560759 459346854 /nfs/dbraw/zinc/34/68/54/459346854.db2.gz ZPGGKFKONFANJB-KRWDZBQOSA-N 0 0 343.383 3.051 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595561754 459346963 /nfs/dbraw/zinc/34/69/63/459346963.db2.gz CRBUFSWJNOHFKD-CYBMUJFWSA-N 0 0 326.368 3.286 10 5 EGBERN C[C@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000595584213 459355347 /nfs/dbraw/zinc/35/53/47/459355347.db2.gz BZTRGRFVFOUNAB-CYBMUJFWSA-N 0 0 347.749 3.135 10 5 EGBERN Cc1c(NC(=O)CCN[C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000595667336 459388752 /nfs/dbraw/zinc/38/87/52/459388752.db2.gz GRZMKDSHDGVVIN-LLVKDONJSA-N 0 0 334.401 3.039 10 5 EGBERN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000569300817 459427001 /nfs/dbraw/zinc/42/70/01/459427001.db2.gz RKGZQDHRMHAEDG-RYUDHWBXSA-N 0 0 342.351 3.304 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761894 459430268 /nfs/dbraw/zinc/43/02/68/459430268.db2.gz YEZOMOCSPGQXQX-QGZVFWFLSA-N 0 0 346.358 3.186 10 5 EGBERN O=C(NC[C@@H]1CCCS1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000569542058 459466796 /nfs/dbraw/zinc/46/67/96/459466796.db2.gz WSSYJFFCQHLEAL-LBPRGKRZSA-N 0 0 338.432 3.307 10 5 EGBERN C[C@@H]1OCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000595892685 459478212 /nfs/dbraw/zinc/47/82/12/459478212.db2.gz OIHUCJSJCJDSCI-UFBFGSQYSA-N 0 0 338.713 3.400 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000591988272 459505084 /nfs/dbraw/zinc/50/50/84/459505084.db2.gz RFKAAIJLJBWMIM-OKILXGFUSA-N 0 0 347.415 3.245 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(O)c2ccccc2c1 ZINC000525942416 459519213 /nfs/dbraw/zinc/51/92/13/459519213.db2.gz LKXLALIMJMECJQ-UHFFFAOYSA-N 0 0 336.347 3.426 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592125766 459528801 /nfs/dbraw/zinc/52/88/01/459528801.db2.gz ITTRQQRSMCNJMP-YPMHNXCESA-N 0 0 349.387 3.227 10 5 EGBERN COC(=O)c1c(Cl)c(NCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000596144791 459536018 /nfs/dbraw/zinc/53/60/18/459536018.db2.gz NZUSJZJXWDEMGV-UHFFFAOYSA-N 0 0 326.658 3.399 10 5 EGBERN COC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(C)C ZINC000596147424 459537698 /nfs/dbraw/zinc/53/76/98/459537698.db2.gz WWWJHOCZQBJCAL-JTQLQIEISA-N 0 0 330.768 3.118 10 5 EGBERN COc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596153369 459539478 /nfs/dbraw/zinc/53/94/78/459539478.db2.gz USFZTHLKGLSLCC-VIFPVBQESA-N 0 0 341.795 3.068 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)c1C ZINC000542270119 459542681 /nfs/dbraw/zinc/54/26/81/459542681.db2.gz UQWQEOMPHFQENC-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@]2(C)CCCO2)ccc1[N+](=O)[O-] ZINC000596161194 459543726 /nfs/dbraw/zinc/54/37/26/459543726.db2.gz BMHNCWKRWWTEDW-CQSZACIVSA-N 0 0 328.752 3.016 10 5 EGBERN CCCCN(CCCO)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596185754 459552633 /nfs/dbraw/zinc/55/26/33/459552633.db2.gz PLBGEXWIEUTMID-UHFFFAOYSA-N 0 0 344.795 3.024 10 5 EGBERN Cc1cc(N2CC[C@H](OCc3c(C)noc3C)C2)c([N+](=O)[O-])s1 ZINC000596198839 459559138 /nfs/dbraw/zinc/55/91/38/459559138.db2.gz WYRKFIBUQRKAQH-LBPRGKRZSA-N 0 0 337.401 3.365 10 5 EGBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000592245340 459559559 /nfs/dbraw/zinc/55/95/59/459559559.db2.gz GXQUHMSXECMFHY-CHWSQXEVSA-N 0 0 332.404 3.092 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596224184 459567367 /nfs/dbraw/zinc/56/73/67/459567367.db2.gz AVUONSZXTAEOSJ-ZJUUUORDSA-N 0 0 342.779 3.401 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596242232 459572666 /nfs/dbraw/zinc/57/26/66/459572666.db2.gz RVTLMTVESJDBLK-OAHLLOKOSA-N 0 0 342.779 3.262 10 5 EGBERN CCc1ncc(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)o1 ZINC000596257700 459576920 /nfs/dbraw/zinc/57/69/20/459576920.db2.gz NOERNOHFOMFAIX-UHFFFAOYSA-N 0 0 339.735 3.197 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)c2csnn2)ccc1[N+](=O)[O-] ZINC000596272718 459580649 /nfs/dbraw/zinc/58/06/49/459580649.db2.gz DYSNIDPNVNLIQB-ZCFIWIBFSA-N 0 0 342.764 3.059 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccccc2F)CC1 ZINC000542698512 459583692 /nfs/dbraw/zinc/58/36/92/459583692.db2.gz UVNSOGQSOFSDGR-UHFFFAOYSA-N 0 0 329.375 3.365 10 5 EGBERN CO[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000596319226 459594935 /nfs/dbraw/zinc/59/49/35/459594935.db2.gz VQZUNJPOZKJZHV-TVQRCGJNSA-N 0 0 334.294 3.077 10 5 EGBERN C[C@@H](C(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572916285 459595053 /nfs/dbraw/zinc/59/50/53/459595053.db2.gz AZNXMXDPAMRASB-ZIAGYGMSSA-N 0 0 342.395 3.494 10 5 EGBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCOCC1 ZINC000596331285 459598286 /nfs/dbraw/zinc/59/82/86/459598286.db2.gz XXOWIADBWUDOAK-CYBMUJFWSA-N 0 0 348.321 3.467 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ncnn21 ZINC000596345497 459602381 /nfs/dbraw/zinc/60/23/81/459602381.db2.gz LTCULMHHMCVFNV-CPCISQLKSA-N 0 0 338.165 3.067 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ncnn21 ZINC000596342523 459602739 /nfs/dbraw/zinc/60/27/39/459602739.db2.gz FYHGHRYDXGHPAZ-GMSGAONNSA-N 0 0 327.266 3.323 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)N[C@@H](CC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000592458379 459604505 /nfs/dbraw/zinc/60/45/05/459604505.db2.gz FKCYMSFUMJJVCM-AAEUAGOBSA-N 0 0 333.388 3.321 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccnc2N2CCCC2)n1 ZINC000596356125 459606425 /nfs/dbraw/zinc/60/64/25/459606425.db2.gz FZOQRFDQHSGETG-UHFFFAOYSA-N 0 0 327.388 3.214 10 5 EGBERN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCc2ccccc21 ZINC000596361148 459607580 /nfs/dbraw/zinc/60/75/80/459607580.db2.gz SJAOGBDDCLPXNJ-UHFFFAOYSA-N 0 0 341.411 3.010 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCO[C@H]2CC2(F)F)c1 ZINC000596405902 459626782 /nfs/dbraw/zinc/62/67/82/459626782.db2.gz ZWZAGHOEHSFFAF-LBPRGKRZSA-N 0 0 347.339 3.039 10 5 EGBERN CN(C)c1noc(CSCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000596412346 459628477 /nfs/dbraw/zinc/62/84/77/459628477.db2.gz QAEQKKMIZHBLQB-UHFFFAOYSA-N 0 0 328.781 3.131 10 5 EGBERN Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])s1 ZINC000596425021 459633846 /nfs/dbraw/zinc/63/38/46/459633846.db2.gz XCDXJTMOSACBLB-OAHLLOKOSA-N 0 0 347.440 3.143 10 5 EGBERN Cc1cc(N2CC[C@H](O)C(F)(F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596431573 459634865 /nfs/dbraw/zinc/63/48/65/459634865.db2.gz MKRZSILRTLAPBP-NSHDSACASA-N 0 0 340.248 3.128 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000596478261 459650452 /nfs/dbraw/zinc/65/04/52/459650452.db2.gz KFNPXJKEAFDVTG-ZDUSSCGKSA-N 0 0 337.395 3.309 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000596480015 459651626 /nfs/dbraw/zinc/65/16/26/459651626.db2.gz YCOOADIFCJCKFM-GFCCVEGCSA-N 0 0 335.379 3.063 10 5 EGBERN O=C1CCCC12CCN(c1c3ccccc3ncc1[N+](=O)[O-])CC2 ZINC000596508312 459661175 /nfs/dbraw/zinc/66/11/75/459661175.db2.gz MAOIFEYNLWXDOR-UHFFFAOYSA-N 0 0 325.368 3.483 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CC(F)F)cc1OC ZINC000592673851 459662181 /nfs/dbraw/zinc/66/21/81/459662181.db2.gz ZWVIAYLFHWTKDP-SECBINFHSA-N 0 0 346.330 3.023 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000592676605 459662205 /nfs/dbraw/zinc/66/22/05/459662205.db2.gz MWXQVGBVQZHSML-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN Cc1cc([C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)c(O)cc1Cl ZINC000596510925 459662412 /nfs/dbraw/zinc/66/24/12/459662412.db2.gz NDMKAHIGRHOXQP-JTQLQIEISA-N 0 0 348.790 3.233 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000596513916 459662733 /nfs/dbraw/zinc/66/27/33/459662733.db2.gz AAOMYDPKBZVULL-JTQLQIEISA-N 0 0 334.401 3.137 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC000596515551 459662919 /nfs/dbraw/zinc/66/29/19/459662919.db2.gz ZKKKYQLBDQHRMQ-GJZGRUSLSA-N 0 0 347.415 3.232 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000573338623 459662968 /nfs/dbraw/zinc/66/29/68/459662968.db2.gz SYGKIGRXKVURGL-LLVKDONJSA-N 0 0 348.790 3.343 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2F)CCC1 ZINC000592690276 459667256 /nfs/dbraw/zinc/66/72/56/459667256.db2.gz MRGYWFBIYJPOLH-UHFFFAOYSA-N 0 0 329.331 3.247 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000592697781 459669713 /nfs/dbraw/zinc/66/97/13/459669713.db2.gz YAANKJLQZUKZFC-BJHJDKERSA-N 0 0 338.429 3.149 10 5 EGBERN CS(=O)(=O)c1ccc(N(CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000596544066 459670866 /nfs/dbraw/zinc/67/08/66/459670866.db2.gz WHTRLPLZMAKJSD-UHFFFAOYSA-N 0 0 338.429 3.015 10 5 EGBERN COc1cc(NC[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000596547572 459672302 /nfs/dbraw/zinc/67/23/02/459672302.db2.gz IITZJEDDRHJNIR-MEDUHNTESA-N 0 0 334.347 3.319 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCO[C@@H](CC(F)(F)F)C3)ccnc21 ZINC000596558657 459676314 /nfs/dbraw/zinc/67/63/14/459676314.db2.gz STCVUYSQJKANJQ-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000592722398 459677061 /nfs/dbraw/zinc/67/70/61/459677061.db2.gz OURUPRGATQAPPZ-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592732347 459678190 /nfs/dbraw/zinc/67/81/90/459678190.db2.gz FVTFCPAFAHWZFA-BZUAXINKSA-N 0 0 343.427 3.116 10 5 EGBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@](C)(C(F)F)O1 ZINC000596570629 459680314 /nfs/dbraw/zinc/68/03/14/459680314.db2.gz ANLDBMMWXYBWLZ-HWPZZCPQSA-N 0 0 341.358 3.118 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592738251 459680568 /nfs/dbraw/zinc/68/05/68/459680568.db2.gz XWVNNQVOYSSBQL-HOTUBEGUSA-N 0 0 339.189 3.276 10 5 EGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572326 459680928 /nfs/dbraw/zinc/68/09/28/459680928.db2.gz LFIOWTLNEFXQBA-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572058 459681129 /nfs/dbraw/zinc/68/11/29/459681129.db2.gz KFQPPCZMJGRRML-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CC(C)Oc1nc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572362 459682347 /nfs/dbraw/zinc/68/23/47/459682347.db2.gz MAHDBUBCZRKLBK-ZUZCIYMTSA-N 0 0 345.346 3.026 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598622 459692324 /nfs/dbraw/zinc/69/23/24/459692324.db2.gz JBOYSMZQVIRUJJ-ZDUSSCGKSA-N 0 0 328.416 3.474 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000596620740 459701319 /nfs/dbraw/zinc/70/13/19/459701319.db2.gz PYPITDCSMYMPHW-HZPDHXFCSA-N 0 0 326.352 3.272 10 5 EGBERN CC[C@H](C)C[C@@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000592876805 459709161 /nfs/dbraw/zinc/70/91/61/459709161.db2.gz ZYWDXYNTOXFMKA-CABZTGNLSA-N 0 0 328.796 3.084 10 5 EGBERN O=C1CCCc2c(cccc2-c2cc([N+](=O)[O-])ccc2CCO)N1 ZINC000596647155 459712670 /nfs/dbraw/zinc/71/26/70/459712670.db2.gz CXCOTWNQIPEPCU-UHFFFAOYSA-N 0 0 326.352 3.071 10 5 EGBERN COC(=O)C[C@@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647869 459713924 /nfs/dbraw/zinc/71/39/24/459713924.db2.gz XLDCUAPIDZJQAX-CYBMUJFWSA-N 0 0 343.379 3.463 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000593021042 459742211 /nfs/dbraw/zinc/74/22/11/459742211.db2.gz JYIQBACUMZOAGM-CYBMUJFWSA-N 0 0 348.321 3.448 10 5 EGBERN CCc1ccnc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000584492858 459752769 /nfs/dbraw/zinc/75/27/69/459752769.db2.gz VWILZMDQXKYHPK-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN CC[C@@H](C)[C@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000584487033 459753033 /nfs/dbraw/zinc/75/30/33/459753033.db2.gz HPBQKSAPIQBNDD-BXUZGUMPSA-N 0 0 335.404 3.490 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C2(O)CC2)CC1 ZINC000593050808 459756071 /nfs/dbraw/zinc/75/60/71/459756071.db2.gz PEROIQKNUGDIKI-UHFFFAOYSA-N 0 0 334.416 3.119 10 5 EGBERN COc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000593055461 459758165 /nfs/dbraw/zinc/75/81/65/459758165.db2.gz VUNZBEUELKOTCY-UHFFFAOYSA-N 0 0 348.296 3.470 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000596823499 459771509 /nfs/dbraw/zinc/77/15/09/459771509.db2.gz QEOYOHDBTWMICZ-IUODEOHRSA-N 0 0 335.404 3.087 10 5 EGBERN COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596830260 459772910 /nfs/dbraw/zinc/77/29/10/459772910.db2.gz CPTDDZSVSQHFNL-LBPRGKRZSA-N 0 0 349.387 3.169 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](CCF)C1 ZINC000596842022 459776288 /nfs/dbraw/zinc/77/62/88/459776288.db2.gz ADBVJGNTHRCFAZ-LLVKDONJSA-N 0 0 325.340 3.207 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596843394 459777091 /nfs/dbraw/zinc/77/70/91/459777091.db2.gz UBAOXXQSBCWHMZ-ABAIWWIYSA-N 0 0 348.399 3.140 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000596899567 459790674 /nfs/dbraw/zinc/79/06/74/459790674.db2.gz MGUNUPDBEMJVHB-AWEZNQCLSA-N 0 0 335.404 3.175 10 5 EGBERN COc1cc(Cc2noc([C@@H](C)c3cccnc3)n2)ccc1[N+](=O)[O-] ZINC000545055028 459799263 /nfs/dbraw/zinc/79/92/63/459799263.db2.gz IDMZGOCUZUCPFM-NSHDSACASA-N 0 0 340.339 3.124 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@@H](OC)C2CC2)c1 ZINC000593196688 459804201 /nfs/dbraw/zinc/80/42/01/459804201.db2.gz BSSOMCQBTKHNLT-CQSZACIVSA-N 0 0 325.386 3.040 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CCCOC1 ZINC000593206179 459807859 /nfs/dbraw/zinc/80/78/59/459807859.db2.gz AARYBPDXRYULJS-CYBMUJFWSA-N 0 0 337.376 3.026 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593279378 459827625 /nfs/dbraw/zinc/82/76/25/459827625.db2.gz MAAZTOUMYVZALG-QGZVFWFLSA-N 0 0 332.400 3.092 10 5 EGBERN COCc1ccnc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000593291885 459831740 /nfs/dbraw/zinc/83/17/40/459831740.db2.gz WAYRCAKWGRQUMO-UHFFFAOYSA-N 0 0 344.371 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(C3(C)CC3)no2)c1 ZINC000593301583 459834382 /nfs/dbraw/zinc/83/43/82/459834382.db2.gz GDHAXOVSISYDLO-UHFFFAOYSA-N 0 0 339.355 3.250 10 5 EGBERN CCC(CC)(CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000597092138 459835841 /nfs/dbraw/zinc/83/58/41/459835841.db2.gz HRDUHBNAEVRXLD-UHFFFAOYSA-N 0 0 344.799 3.157 10 5 EGBERN Nc1c(NC(=O)NCCCC(F)(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597093483 459836738 /nfs/dbraw/zinc/83/67/38/459836738.db2.gz WMTMFHWMORLSBY-UHFFFAOYSA-N 0 0 340.689 3.294 10 5 EGBERN C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C ZINC000597099946 459837496 /nfs/dbraw/zinc/83/74/96/459837496.db2.gz GDZHAYIRVFJHPN-BDAKNGLRSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@]1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCCS1 ZINC000597104627 459837539 /nfs/dbraw/zinc/83/75/39/459837539.db2.gz SQEWOASZELMPCJ-CYBMUJFWSA-N 0 0 344.824 3.238 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597100477 459837559 /nfs/dbraw/zinc/83/75/59/459837559.db2.gz JDMHJQZNKGIUKI-RKDXNWHRSA-N 0 0 326.784 3.340 10 5 EGBERN CSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105048 459837674 /nfs/dbraw/zinc/83/76/74/459837674.db2.gz VBLZQYGEQSHFMD-MRVPVSSYSA-N 0 0 346.840 3.436 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C12CCC2 ZINC000598296648 459851285 /nfs/dbraw/zinc/85/12/85/459851285.db2.gz NMTRBDWWPNITIS-KBPBESRZSA-N 0 0 347.415 3.033 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598309006 459859849 /nfs/dbraw/zinc/85/98/49/459859849.db2.gz LZLTZJOEMNVOPL-HUUCEWRRSA-N 0 0 332.400 3.451 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369351 459868952 /nfs/dbraw/zinc/86/89/52/459868952.db2.gz BBLFFVQWYPXSIV-WBMJQRKESA-N 0 0 335.404 3.160 10 5 EGBERN Cc1sc(C(=O)NCC2(O)CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000598337713 459871085 /nfs/dbraw/zinc/87/10/85/459871085.db2.gz CXWNAXYMEKSORA-UHFFFAOYSA-N 0 0 326.418 3.026 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000598340884 459871710 /nfs/dbraw/zinc/87/17/10/459871710.db2.gz PTXGYFCMSBLIQF-UHFFFAOYSA-N 0 0 334.416 3.173 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598348049 459873921 /nfs/dbraw/zinc/87/39/21/459873921.db2.gz IGJFQEJKDTVHTO-RTBURBONSA-N 0 0 342.395 3.012 10 5 EGBERN C[C@@H](C(=O)N1CC2(CCCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598356238 459878353 /nfs/dbraw/zinc/87/83/53/459878353.db2.gz ZEUWTNVQGXWTGN-ZIAGYGMSSA-N 0 0 332.400 3.258 10 5 EGBERN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598366302 459880011 /nfs/dbraw/zinc/88/00/11/459880011.db2.gz KBYGAEBYOFSJIO-HSBZDZAISA-N 0 0 337.395 3.430 10 5 EGBERN CC(C)c1ccc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000586976707 459890497 /nfs/dbraw/zinc/89/04/97/459890497.db2.gz HMUWJOBROIELBC-UHFFFAOYSA-N 0 0 329.400 3.447 10 5 EGBERN O=C(CC(F)(F)F)N1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000608885700 459892997 /nfs/dbraw/zinc/89/29/97/459892997.db2.gz UVILPLAPDGVNHT-UHFFFAOYSA-N 0 0 337.323 3.012 10 5 EGBERN Nc1cc(NCCCCOCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587607648 459893110 /nfs/dbraw/zinc/89/31/10/459893110.db2.gz NMUMGPRSKAYDNT-UHFFFAOYSA-N 0 0 345.399 3.078 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000574922192 459895573 /nfs/dbraw/zinc/89/55/73/459895573.db2.gz IIUXNAAGWASXAG-UHFFFAOYSA-N 0 0 347.415 3.137 10 5 EGBERN C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000593463656 459896006 /nfs/dbraw/zinc/89/60/06/459896006.db2.gz BHVYZOCXFDOIIR-UGSOOPFHSA-N 0 0 337.383 3.427 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCc3sccc3C2)c1[N+](=O)[O-] ZINC000587972915 459896961 /nfs/dbraw/zinc/89/69/61/459896961.db2.gz PDALCHWEATZQMC-UHFFFAOYSA-N 0 0 347.396 3.099 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976034 459897776 /nfs/dbraw/zinc/89/77/76/459897776.db2.gz LCKCROLGONQEED-BEFAXECRSA-N 0 0 342.395 3.436 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587985955 459898395 /nfs/dbraw/zinc/89/83/95/459898395.db2.gz VBFBKEQBTANLMQ-HNNXBMFYSA-N 0 0 329.400 3.127 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3ccccn3)CC2)s1 ZINC000588006039 459901649 /nfs/dbraw/zinc/90/16/49/459901649.db2.gz KFDRZFHALCVCIY-UHFFFAOYSA-N 0 0 341.396 3.379 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCc1nnc(C2CC2)s1 ZINC000593479490 459901798 /nfs/dbraw/zinc/90/17/98/459901798.db2.gz NHKAORIOEDYARZ-UHFFFAOYSA-N 0 0 327.369 3.484 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456082 459902303 /nfs/dbraw/zinc/90/23/03/459902303.db2.gz HGCCKJNGPYIVHB-NZSAHSFTSA-N 0 0 340.354 3.121 10 5 EGBERN CCC(CC)[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000588013277 459902590 /nfs/dbraw/zinc/90/25/90/459902590.db2.gz LIJVTDWPMOVRLV-XJKSGUPXSA-N 0 0 337.420 3.065 10 5 EGBERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000598456107 459902714 /nfs/dbraw/zinc/90/27/14/459902714.db2.gz HVJVCPBYBLBCLV-HYVNUMGLSA-N 0 0 326.327 3.110 10 5 EGBERN CC(=O)c1ccc(NC[C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000593484132 459903227 /nfs/dbraw/zinc/90/32/27/459903227.db2.gz NPOZGCCBPRZSOI-LJQANCHMSA-N 0 0 340.379 3.086 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(F)(F)C(C)(C)C)c1 ZINC000598464248 459903815 /nfs/dbraw/zinc/90/38/15/459903815.db2.gz CYHATJNSUYWRET-UHFFFAOYSA-N 0 0 344.358 3.470 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000598461837 459904130 /nfs/dbraw/zinc/90/41/30/459904130.db2.gz KXCPPBLZZKMLAS-OAHLLOKOSA-N 0 0 334.420 3.061 10 5 EGBERN COc1c(C(=O)N(C)C[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000598468666 459905527 /nfs/dbraw/zinc/90/55/27/459905527.db2.gz FWXDKMRZYQAPJB-AWEZNQCLSA-N 0 0 340.379 3.405 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593493930 459905846 /nfs/dbraw/zinc/90/58/46/459905846.db2.gz VWAQZNPVJVKQQA-UHFFFAOYSA-N 0 0 338.408 3.186 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000588068471 459908485 /nfs/dbraw/zinc/90/84/85/459908485.db2.gz OQICCOGOGZUSJQ-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN CO[C@H](c1noc(-c2cc([N+](=O)[O-])cn2C)n1)c1cccc(Cl)c1 ZINC000546474288 459922410 /nfs/dbraw/zinc/92/24/10/459922410.db2.gz XRLWYFQUVPSYKD-ZDUSSCGKSA-N 0 0 348.746 3.373 10 5 EGBERN COc1ccc(CN(C)Cc2c(C)cc(C)nc2OC)cc1[N+](=O)[O-] ZINC000588202311 459931430 /nfs/dbraw/zinc/93/14/30/459931430.db2.gz GUTNKEHECVYBKC-UHFFFAOYSA-N 0 0 345.399 3.256 10 5 EGBERN COCC1(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000598551336 459935526 /nfs/dbraw/zinc/93/55/26/459935526.db2.gz QJIFUNJRHZIUNV-GFCCVEGCSA-N 0 0 338.379 3.303 10 5 EGBERN COCC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000598554076 459936452 /nfs/dbraw/zinc/93/64/52/459936452.db2.gz FUSSZDRSKYPZPE-UHFFFAOYSA-N 0 0 326.780 3.327 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598565876 459939734 /nfs/dbraw/zinc/93/97/34/459939734.db2.gz SOUOGHHFQUZCDY-RTHLEPHNSA-N 0 0 348.733 3.133 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000598567154 459940108 /nfs/dbraw/zinc/94/01/08/459940108.db2.gz BASFRXQUBLGRQT-RTHLEPHNSA-N 0 0 348.733 3.133 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000609443878 459963165 /nfs/dbraw/zinc/96/31/65/459963165.db2.gz DECKPWKYPPUPLM-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC(CN2CCc3ccccc32)CC1 ZINC000609513751 459972699 /nfs/dbraw/zinc/97/26/99/459972699.db2.gz KFYRIZMTZAVTCV-UHFFFAOYSA-N 0 0 338.411 3.269 10 5 EGBERN CC(C)NC(=O)c1ccc(NCC[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598640124 459973247 /nfs/dbraw/zinc/97/32/47/459973247.db2.gz WMINNAUOBZZBRJ-NSHDSACASA-N 0 0 327.331 3.190 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000593761637 459978244 /nfs/dbraw/zinc/97/82/44/459978244.db2.gz MIFSGTRZIBYIEW-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN CCC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000588883984 459995571 /nfs/dbraw/zinc/99/55/71/459995571.db2.gz RMKBMRMUHHNCGG-UHFFFAOYSA-N 0 0 330.388 3.108 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000593856432 460004529 /nfs/dbraw/zinc/00/45/29/460004529.db2.gz WQZZDCPGZBQBCV-GFCCVEGCSA-N 0 0 342.399 3.072 10 5 EGBERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609676067 460006995 /nfs/dbraw/zinc/00/69/95/460006995.db2.gz NSNYUIUUPWYQJK-CHWSQXEVSA-N 0 0 326.418 3.090 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C(F)(F)F)CC3)n2)c1 ZINC000618420736 460007251 /nfs/dbraw/zinc/00/72/51/460007251.db2.gz LKNYNMWRVXQOOJ-UHFFFAOYSA-N 0 0 343.261 3.171 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCc2ccc(F)cc21 ZINC000593887143 460009852 /nfs/dbraw/zinc/00/98/52/460009852.db2.gz ONVJKBVGCCKGEK-LLVKDONJSA-N 0 0 343.358 3.118 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000593888870 460011052 /nfs/dbraw/zinc/01/10/52/460011052.db2.gz CUXPQTIUKCKKLL-XVSSEFHLSA-N 0 0 334.420 3.386 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593954640 460026833 /nfs/dbraw/zinc/02/68/33/460026833.db2.gz MARCSDIGEGZSKQ-UHFFFAOYSA-N 0 0 348.399 3.386 10 5 EGBERN O=c1cc(C(F)(F)F)nc(SCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000609852003 460028359 /nfs/dbraw/zinc/02/83/59/460028359.db2.gz BMXMRRQUJJPJDM-UHFFFAOYSA-N 0 0 345.302 3.444 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598777009 460029832 /nfs/dbraw/zinc/02/98/32/460029832.db2.gz LUXMWQFDFRWKEZ-MRVPVSSYSA-N 0 0 338.232 3.389 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598781863 460032162 /nfs/dbraw/zinc/03/21/62/460032162.db2.gz KRGKZRGVIXSFBV-MRVPVSSYSA-N 0 0 338.232 3.389 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723465 460039713 /nfs/dbraw/zinc/03/97/13/460039713.db2.gz KOSXHPSMPQWQHK-DOXZYTNZSA-N 0 0 344.411 3.116 10 5 EGBERN C[C@@H](Cc1ccco1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000598802844 460040897 /nfs/dbraw/zinc/04/08/97/460040897.db2.gz GRGAVHHKPHYGIW-NSHDSACASA-N 0 0 346.339 3.166 10 5 EGBERN Cc1ccc(COCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000598805012 460043150 /nfs/dbraw/zinc/04/31/50/460043150.db2.gz CHCOZRZNNPBHFY-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598807257 460043902 /nfs/dbraw/zinc/04/39/02/460043902.db2.gz GHWPQMVOMINMNY-ZDUSSCGKSA-N 0 0 338.335 3.040 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051273 460056565 /nfs/dbraw/zinc/05/65/65/460056565.db2.gz FCOKDSYZHJYKCC-WDEREUQCSA-N 0 0 328.796 3.424 10 5 EGBERN CC(C)[C@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051266 460056812 /nfs/dbraw/zinc/05/68/12/460056812.db2.gz FBLMJYOZEQGDTL-LLVKDONJSA-N 0 0 328.796 3.425 10 5 EGBERN CCc1ccc(C)nc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598859980 460071345 /nfs/dbraw/zinc/07/13/45/460071345.db2.gz PCAONQPNWJJESB-UHFFFAOYSA-N 0 0 335.310 3.320 10 5 EGBERN C[C@H]1COC2(CCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598867066 460075050 /nfs/dbraw/zinc/07/50/50/460075050.db2.gz CSMPWYLQIZIUIP-ZDUSSCGKSA-N 0 0 332.400 3.042 10 5 EGBERN C[C@H]1COC2(CCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598867475 460075352 /nfs/dbraw/zinc/07/53/52/460075352.db2.gz FRIOSOADVMPNIC-ZDUSSCGKSA-N 0 0 332.400 3.042 10 5 EGBERN CO[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000618587945 460076578 /nfs/dbraw/zinc/07/65/78/460076578.db2.gz DYWIGMOJEPLWIK-HNNXBMFYSA-N 0 0 346.774 3.346 10 5 EGBERN C[C@]1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1(F)F ZINC000618594231 460079215 /nfs/dbraw/zinc/07/92/15/460079215.db2.gz FKIJGTBQAPPDAF-GOSISDBHSA-N 0 0 342.345 3.456 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598884824 460083727 /nfs/dbraw/zinc/08/37/27/460083727.db2.gz YYDHNWIPUGTALZ-UHFFFAOYSA-N 0 0 346.774 3.330 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000597866674 460086591 /nfs/dbraw/zinc/08/65/91/460086591.db2.gz YMALPAKYOHSXEF-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN Cc1c(CC(=O)Nc2cncc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000597871049 460088644 /nfs/dbraw/zinc/08/86/44/460088644.db2.gz ULPKRMLSHXURCH-UHFFFAOYSA-N 0 0 325.368 3.358 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](C(F)F)C1CCCCC1 ZINC000598895950 460088915 /nfs/dbraw/zinc/08/89/15/460088915.db2.gz XHCFJSLFXFXIQX-OAHLLOKOSA-N 0 0 342.342 3.304 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2ncccc2N2CCCCC2)c1 ZINC000598929528 460092928 /nfs/dbraw/zinc/09/29/28/460092928.db2.gz HWTBEYFOOYQEGG-UHFFFAOYSA-N 0 0 327.384 3.182 10 5 EGBERN Cc1ccc(CN2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598936691 460096312 /nfs/dbraw/zinc/09/63/12/460096312.db2.gz QLCDJHXVZKUFCC-UHFFFAOYSA-N 0 0 326.400 3.375 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCc3cccnc32)s1 ZINC000598944848 460097288 /nfs/dbraw/zinc/09/72/88/460097288.db2.gz AJDSTRLRPFSVQJ-JTQLQIEISA-N 0 0 327.369 3.136 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccc(F)cc32)c1 ZINC000589510998 460097369 /nfs/dbraw/zinc/09/73/69/460097369.db2.gz OVTJEAANOMLNHK-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN C[C@@H](C(=O)NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000598951354 460099636 /nfs/dbraw/zinc/09/96/36/460099636.db2.gz SWGCTUQDDYNVFP-DGCLKSJQSA-N 0 0 343.358 3.079 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000597918244 460110940 /nfs/dbraw/zinc/11/09/40/460110940.db2.gz DPIIGDNSUOMUMP-LLVKDONJSA-N 0 0 331.347 3.107 10 5 EGBERN COc1cc(C(=O)N[C@H](C)Cc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000597919387 460111244 /nfs/dbraw/zinc/11/12/44/460111244.db2.gz LQXPCVILEPLMHS-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000610294777 460111354 /nfs/dbraw/zinc/11/13/54/460111354.db2.gz LIVPBQUWMZBHPH-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000594136492 460120920 /nfs/dbraw/zinc/12/09/20/460120920.db2.gz JAUNYXPXQZWQFY-GFCCVEGCSA-N 0 0 340.445 3.254 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594135770 460120963 /nfs/dbraw/zinc/12/09/63/460120963.db2.gz GOWKOUPMBZNZOE-CYBMUJFWSA-N 0 0 347.415 3.186 10 5 EGBERN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597943453 460121608 /nfs/dbraw/zinc/12/16/08/460121608.db2.gz AGASMCPXALEXQJ-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594140892 460123713 /nfs/dbraw/zinc/12/37/13/460123713.db2.gz QNHXIULWAVVEIH-HAQNSBGRSA-N 0 0 336.388 3.069 10 5 EGBERN COc1cc(C)c(C)cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000597946092 460123920 /nfs/dbraw/zinc/12/39/20/460123920.db2.gz XDXXZJRTNFZVRF-UHFFFAOYSA-N 0 0 346.387 3.062 10 5 EGBERN Cc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589684775 460127090 /nfs/dbraw/zinc/12/70/90/460127090.db2.gz KOAOMSJVASPROV-UHFFFAOYSA-N 0 0 337.395 3.127 10 5 EGBERN Cc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000594154269 460128731 /nfs/dbraw/zinc/12/87/31/460128731.db2.gz PDKDDTJNNPYYPY-CQSZACIVSA-N 0 0 342.273 3.459 10 5 EGBERN CSCC1(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000597987258 460138595 /nfs/dbraw/zinc/13/85/95/460138595.db2.gz GGMZSKNKVVQONA-UHFFFAOYSA-N 0 0 344.383 3.065 10 5 EGBERN O=[N+]([O-])c1c(NCCCOCC2CCOCC2)ccc2cnccc21 ZINC000599046674 460138894 /nfs/dbraw/zinc/13/88/94/460138894.db2.gz KKCZGVFBOIUSMR-UHFFFAOYSA-N 0 0 345.399 3.388 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000599059190 460145130 /nfs/dbraw/zinc/14/51/30/460145130.db2.gz OQTYVXRTAGCODV-HUUCEWRRSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599064714 460148018 /nfs/dbraw/zinc/14/80/18/460148018.db2.gz GSXPWZIXVLZNMC-ZBFHGGJFSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594204530 460149433 /nfs/dbraw/zinc/14/94/33/460149433.db2.gz RBBABKIHNNDGQO-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594206037 460150403 /nfs/dbraw/zinc/15/04/03/460150403.db2.gz HVHZULBGRMBUJD-CQSZACIVSA-N 0 0 338.791 3.470 10 5 EGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000589864365 460152511 /nfs/dbraw/zinc/15/25/11/460152511.db2.gz XBGAYEMRBPDSMN-TVQRCGJNSA-N 0 0 341.289 3.299 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594236911 460164676 /nfs/dbraw/zinc/16/46/76/460164676.db2.gz XUNHNEKPEVVQJY-CXAGYDPISA-N 0 0 342.399 3.371 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](n1cccn1)C(F)(F)F ZINC000599115861 460165081 /nfs/dbraw/zinc/16/50/81/460165081.db2.gz GMKGKZFIAMXTNA-VIFPVBQESA-N 0 0 335.673 3.055 10 5 EGBERN CCOc1cccc(NC[C@@H](n2cccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC000599116535 460165252 /nfs/dbraw/zinc/16/52/52/460165252.db2.gz JJHZTVPWNGTCQR-GFCCVEGCSA-N 0 0 344.293 3.406 10 5 EGBERN Cc1cc(NCC[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599116367 460165403 /nfs/dbraw/zinc/16/54/03/460165403.db2.gz HMMKUUJZCYYJNG-CQSZACIVSA-N 0 0 342.399 3.011 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](CO)CCC(C)C)ccc1[N+](=O)[O-] ZINC000599137481 460171183 /nfs/dbraw/zinc/17/11/83/460171183.db2.gz OTOKIKSQIHXVOQ-SNVBAGLBSA-N 0 0 344.795 3.244 10 5 EGBERN CC[C@@H](NC(=O)CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610525785 460174823 /nfs/dbraw/zinc/17/48/23/460174823.db2.gz HBNZGVZIXQHKGN-QGZVFWFLSA-N 0 0 327.384 3.299 10 5 EGBERN CCC(=O)c1ccc(NCC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000599171207 460185292 /nfs/dbraw/zinc/18/52/92/460185292.db2.gz ZTCTVUOZIXGTBP-UHFFFAOYSA-N 0 0 347.415 3.248 10 5 EGBERN Cc1nn(C)c(N2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000599168666 460185464 /nfs/dbraw/zinc/18/54/64/460185464.db2.gz IKKILSXEEFTWTJ-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN Nc1cc(NCC2(C(F)(F)F)CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000599184988 460192449 /nfs/dbraw/zinc/19/24/49/460192449.db2.gz OSWPKGXBLXJUTQ-UHFFFAOYSA-N 0 0 333.310 3.204 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CC(F)(F)F ZINC000599198044 460197228 /nfs/dbraw/zinc/19/72/28/460197228.db2.gz WRMGACZTVBMWOD-UHFFFAOYSA-N 0 0 325.290 3.437 10 5 EGBERN CC(C)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594378106 460200572 /nfs/dbraw/zinc/20/05/72/460200572.db2.gz ZPPDSCSBJLTUQH-YOEHRIQHSA-N 0 0 346.427 3.168 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000598211247 460206033 /nfs/dbraw/zinc/20/60/33/460206033.db2.gz DLXAQXWTWVFAKY-YSVLISHTSA-N 0 0 334.416 3.237 10 5 EGBERN CSc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598215355 460207504 /nfs/dbraw/zinc/20/75/04/460207504.db2.gz JMZLPLYUWKWXKO-ZDUSSCGKSA-N 0 0 330.356 3.482 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594418995 460213508 /nfs/dbraw/zinc/21/35/08/460213508.db2.gz REZPYGKFZVWYTM-ZDUSSCGKSA-N 0 0 343.383 3.298 10 5 EGBERN CCn1cc([C@H]2CSCCN2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901203 460214000 /nfs/dbraw/zinc/21/40/00/460214000.db2.gz ONEFTKDVZWCYAU-QGZVFWFLSA-N 0 0 346.456 3.410 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000598233238 460215949 /nfs/dbraw/zinc/21/59/49/460215949.db2.gz LWYBVRYWJVVYDZ-UHFFFAOYSA-N 0 0 340.383 3.478 10 5 EGBERN COc1c(C(=O)N2CC(Cc3ccc(C)cc3)C2)cccc1[N+](=O)[O-] ZINC000598234823 460217118 /nfs/dbraw/zinc/21/71/18/460217118.db2.gz KGXVWRHMLNKOAD-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000610716202 460223517 /nfs/dbraw/zinc/22/35/17/460223517.db2.gz GKECWKQDGQWSBJ-GOSISDBHSA-N 0 0 348.399 3.169 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000599493730 460261323 /nfs/dbraw/zinc/26/13/23/460261323.db2.gz BCOXKEIBTLRAFR-HNNXBMFYSA-N 0 0 326.418 3.353 10 5 EGBERN Cc1c(CC(=O)NCC(C)(C)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000610972027 460268864 /nfs/dbraw/zinc/26/88/64/460268864.db2.gz QNXKSQSVRIZLKE-INIZCTEOSA-N 0 0 334.416 3.157 10 5 EGBERN CCO[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000615191990 460290692 /nfs/dbraw/zinc/29/06/92/460290692.db2.gz RRXMXRZUJICRPN-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN CCOc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC000599674323 460304861 /nfs/dbraw/zinc/30/48/61/460304861.db2.gz CGSFRLIHITTYCV-UGSOOPFHSA-N 0 0 347.415 3.197 10 5 EGBERN CC(C)[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611203458 460306914 /nfs/dbraw/zinc/30/69/14/460306914.db2.gz BHILHEMOYDAIOM-INIZCTEOSA-N 0 0 342.399 3.202 10 5 EGBERN CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000603475870 460309879 /nfs/dbraw/zinc/30/98/79/460309879.db2.gz SCPXZUVAXSUXBN-CYBMUJFWSA-N 0 0 331.416 3.456 10 5 EGBERN Cc1ccc(C(=O)N2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000611256042 460319042 /nfs/dbraw/zinc/31/90/42/460319042.db2.gz GPARXXDDPYOSDO-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)o1 ZINC000603576750 460323174 /nfs/dbraw/zinc/32/31/74/460323174.db2.gz IKDXRAVFWFZRAV-UHFFFAOYSA-N 0 0 337.763 3.350 10 5 EGBERN O=C([C@@H]1CC12CCN(c1ccc([N+](=O)[O-])s1)CC2)N1CCCCC1 ZINC000611298786 460332635 /nfs/dbraw/zinc/33/26/35/460332635.db2.gz UISPSKMMFUQTDL-ZDUSSCGKSA-N 0 0 349.456 3.275 10 5 EGBERN CCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000611335072 460338244 /nfs/dbraw/zinc/33/82/44/460338244.db2.gz DHURNIVJMCLVNQ-LBPRGKRZSA-N 0 0 334.376 3.233 10 5 EGBERN CC1(C)[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C[C@@H]21 ZINC000599831541 460343685 /nfs/dbraw/zinc/34/36/85/460343685.db2.gz OKSVDWXPWUTIHU-BETUJISGSA-N 0 0 326.356 3.263 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCCOC1 ZINC000599834645 460344857 /nfs/dbraw/zinc/34/48/57/460344857.db2.gz KUVIOMGSXMWPPQ-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN COC[C@@]1(C)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599838043 460346157 /nfs/dbraw/zinc/34/61/57/460346157.db2.gz IJOKXUTXEDUICR-KRWDZBQOSA-N 0 0 344.371 3.033 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000619434259 460355399 /nfs/dbraw/zinc/35/53/99/460355399.db2.gz RRMZJXZEDXWWQH-VQIMIIECSA-N 0 0 348.443 3.488 10 5 EGBERN CCO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000599916366 460359008 /nfs/dbraw/zinc/35/90/08/460359008.db2.gz IRGSPJRDEHXAIG-GFCCVEGCSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccn(C2CCOCC2)n1 ZINC000599954502 460363711 /nfs/dbraw/zinc/36/37/11/460363711.db2.gz FRDZRPAGCZPTGV-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN CSc1ccc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000611485201 460374546 /nfs/dbraw/zinc/37/45/46/460374546.db2.gz IUZIAKOBLRASQK-VIFPVBQESA-N 0 0 335.360 3.342 10 5 EGBERN C[C@@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(F)F ZINC000600101956 460382315 /nfs/dbraw/zinc/38/23/15/460382315.db2.gz HSSZPTSBKDBHPC-NSHDSACASA-N 0 0 349.131 3.132 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000600097717 460382330 /nfs/dbraw/zinc/38/23/30/460382330.db2.gz DRXAGRKXIFPIMP-QGZVFWFLSA-N 0 0 346.362 3.228 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C1CC1 ZINC000611514122 460384296 /nfs/dbraw/zinc/38/42/96/460384296.db2.gz ANIHNRDCOXQFJS-CQSZACIVSA-N 0 0 337.807 3.375 10 5 EGBERN Nc1cc(NC[C@@H]2CCCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000611525106 460387467 /nfs/dbraw/zinc/38/74/67/460387467.db2.gz CYIVVUCQZCUQDT-ZDUSSCGKSA-N 0 0 327.384 3.201 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2c(O)cccc2F)c1 ZINC000619584014 460390703 /nfs/dbraw/zinc/39/07/03/460390703.db2.gz CCECGANUJWFWIF-UHFFFAOYSA-N 0 0 334.303 3.156 10 5 EGBERN CCOC(=O)c1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000600151709 460408663 /nfs/dbraw/zinc/40/86/63/460408663.db2.gz NMIWZDUFYSVFKL-UHFFFAOYSA-N 0 0 343.383 3.191 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611592982 460412729 /nfs/dbraw/zinc/41/27/29/460412729.db2.gz MPOGHVZCTIWFQZ-LLVKDONJSA-N 0 0 329.303 3.139 10 5 EGBERN CCc1nc([C@@H]2CCCCN2c2nc(C)cc(C)c2[N+](=O)[O-])no1 ZINC000611616868 460414978 /nfs/dbraw/zinc/41/49/78/460414978.db2.gz QWAAPRGWUPRJSW-LBPRGKRZSA-N 0 0 331.376 3.284 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nc3nc(C)c(C)c(C)n3n2)n1 ZINC000611616580 460415012 /nfs/dbraw/zinc/41/50/12/460415012.db2.gz CWDSTDVWGOJXNS-UHFFFAOYSA-N 0 0 344.400 3.121 10 5 EGBERN Cc1c(Br)c(N[C@@H]2C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000619698073 460416924 /nfs/dbraw/zinc/41/69/24/460416924.db2.gz QNPDBUYIYGQQEI-PHDIDXHHSA-N 0 0 340.099 3.423 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600172310 460419151 /nfs/dbraw/zinc/41/91/51/460419151.db2.gz YTNIDBWKFWRVEJ-SNVBAGLBSA-N 0 0 346.305 3.160 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000604429131 460426234 /nfs/dbraw/zinc/42/62/34/460426234.db2.gz GLKFLBSCWCTVFT-CYBMUJFWSA-N 0 0 327.384 3.447 10 5 EGBERN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000604479159 460432316 /nfs/dbraw/zinc/43/23/16/460432316.db2.gz YXJYIVIAKHTPAM-UHFFFAOYSA-N 0 0 333.369 3.200 10 5 EGBERN CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000611710038 460436306 /nfs/dbraw/zinc/43/63/06/460436306.db2.gz ZYSFKANQUOXIBU-AWEZNQCLSA-N 0 0 340.387 3.452 10 5 EGBERN O=C(NCC[C@H]1CCCO1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000604518391 460439839 /nfs/dbraw/zinc/43/98/39/460439839.db2.gz DMOUAVFLWDVRRQ-CYBMUJFWSA-N 0 0 347.396 3.017 10 5 EGBERN COC[C@]1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600212617 460443112 /nfs/dbraw/zinc/44/31/12/460443112.db2.gz HDOGHINSOFRBTR-SFHVURJKSA-N 0 0 346.383 3.092 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000619810226 460447999 /nfs/dbraw/zinc/44/79/99/460447999.db2.gz DXMHUFHXTRDAEU-RISCZKNCSA-N 0 0 333.367 3.058 10 5 EGBERN CCOc1cc(N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000611763785 460454867 /nfs/dbraw/zinc/45/48/67/460454867.db2.gz KIGKMTPMNVDJMV-OAHLLOKOSA-N 0 0 327.384 3.458 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600270504 460462415 /nfs/dbraw/zinc/46/24/15/460462415.db2.gz AWRKSEDKNOYFBL-CABCVRRESA-N 0 0 345.424 3.046 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000600303675 460467895 /nfs/dbraw/zinc/46/78/95/460467895.db2.gz ZWQNBYOUAUKJEH-GOSISDBHSA-N 0 0 341.367 3.026 10 5 EGBERN CC1(C)CC(=O)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600304546 460468081 /nfs/dbraw/zinc/46/80/81/460468081.db2.gz DVSKCWYRIYDFNV-UHFFFAOYSA-N 0 0 330.340 3.172 10 5 EGBERN CCCOc1cncc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000600366236 460483337 /nfs/dbraw/zinc/48/33/37/460483337.db2.gz QLWHPXVUQONEHD-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(Cc2ccco2)C1 ZINC000600370624 460485415 /nfs/dbraw/zinc/48/54/15/460485415.db2.gz QTDCBONFWMKEPD-UHFFFAOYSA-N 0 0 328.368 3.428 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600379225 460487026 /nfs/dbraw/zinc/48/70/26/460487026.db2.gz DDQSRMOWOFXYGX-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)c1[N+](=O)[O-] ZINC000600477819 460502038 /nfs/dbraw/zinc/50/20/38/460502038.db2.gz ZDZPVGPLMCXCOQ-ZDUSSCGKSA-N 0 0 346.362 3.174 10 5 EGBERN C/C=C/CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600490967 460505125 /nfs/dbraw/zinc/50/51/25/460505125.db2.gz JGQSPZCLSVMLPU-NSCUHMNNSA-N 0 0 331.294 3.108 10 5 EGBERN COc1cccc2c1CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000600515274 460509046 /nfs/dbraw/zinc/50/90/46/460509046.db2.gz QDKHBZZAPFWAMH-LBPRGKRZSA-N 0 0 326.352 3.249 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000600520690 460511570 /nfs/dbraw/zinc/51/15/70/460511570.db2.gz QVXDQYCYOHFEAH-XJKSGUPXSA-N 0 0 332.400 3.190 10 5 EGBERN CC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000600521524 460512048 /nfs/dbraw/zinc/51/20/48/460512048.db2.gz QOIRHAALJUAIHY-UHFFFAOYSA-N 0 0 334.294 3.155 10 5 EGBERN CCn1ccc(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)c1 ZINC000616383528 460542376 /nfs/dbraw/zinc/54/23/76/460542376.db2.gz FZXUBMLKWNWIAD-UHFFFAOYSA-N 0 0 331.372 3.148 10 5 EGBERN O=C(NCCC1CSC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000616396139 460544472 /nfs/dbraw/zinc/54/44/72/460544472.db2.gz BIJFFUGJBXASMH-UHFFFAOYSA-N 0 0 338.432 3.164 10 5 EGBERN O=[N+]([O-])c1sccc1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000616400555 460547187 /nfs/dbraw/zinc/54/71/87/460547187.db2.gz WBUYLQWTABIBQF-SNVBAGLBSA-N 0 0 328.340 3.198 10 5 EGBERN O=[N+]([O-])c1sccc1N1CCc2nccc(Br)c2C1 ZINC000601181385 460742705 /nfs/dbraw/zinc/74/27/05/460742705.db2.gz KHELQLJIDWZTSL-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000601187690 460744794 /nfs/dbraw/zinc/74/47/94/460744794.db2.gz VOCMKPZBXGSQCI-ZJUUUORDSA-N 0 0 348.325 3.107 10 5 EGBERN CCc1nn(C)c(N2CCC(Oc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000601216796 460754311 /nfs/dbraw/zinc/75/43/11/460754311.db2.gz QUGFKMAEIJRELZ-UHFFFAOYSA-N 0 0 348.378 3.078 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000601224034 460756883 /nfs/dbraw/zinc/75/68/83/460756883.db2.gz XDSNZBDFAKZJON-KHQFGBGNSA-N 0 0 328.752 3.013 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601280299 460774206 /nfs/dbraw/zinc/77/42/06/460774206.db2.gz FIJJIPUXAPTMAL-MRXNPFEDSA-N 0 0 328.372 3.082 10 5 EGBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000601295308 460780495 /nfs/dbraw/zinc/78/04/95/460780495.db2.gz SYMBPSPWNUAFLT-VGTOOOLASA-N 0 0 344.342 3.417 10 5 EGBERN C[C@H]1CCn2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)nc2C1 ZINC000601372591 460797849 /nfs/dbraw/zinc/79/78/49/460797849.db2.gz CROVOCZLJUAFSH-QMMMGPOBSA-N 0 0 331.357 3.152 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000617378606 460837736 /nfs/dbraw/zinc/83/77/36/460837736.db2.gz AIZGRNGZNSNZAS-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601586557 460839462 /nfs/dbraw/zinc/83/94/62/460839462.db2.gz ZAGWDKYIIOQXEF-SFHVURJKSA-N 0 0 346.427 3.028 10 5 EGBERN CCOC1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601597503 460842120 /nfs/dbraw/zinc/84/21/20/460842120.db2.gz YRDLJZVBBCCHKJ-UHFFFAOYSA-N 0 0 346.427 3.434 10 5 EGBERN CCCc1ncc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC000601619373 460848319 /nfs/dbraw/zinc/84/83/19/460848319.db2.gz KBJUWBYAJRAJHD-UHFFFAOYSA-N 0 0 343.383 3.273 10 5 EGBERN C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)C(=O)C1 ZINC000613184380 460854770 /nfs/dbraw/zinc/85/47/70/460854770.db2.gz DPWOMTIQICNUAA-CQSZACIVSA-N 0 0 325.368 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601656226 460859171 /nfs/dbraw/zinc/85/91/71/460859171.db2.gz FYPLOEOSEYZDDR-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601659057 460859892 /nfs/dbraw/zinc/85/98/92/460859892.db2.gz QSONIULLNVHUTL-IRXDYDNUSA-N 0 0 347.415 3.084 10 5 EGBERN COc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000601697725 460874358 /nfs/dbraw/zinc/87/43/58/460874358.db2.gz CPQWRDYJTFLYQI-OAHLLOKOSA-N 0 0 330.340 3.420 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000601702278 460876578 /nfs/dbraw/zinc/87/65/78/460876578.db2.gz STGVZLVSCWBNDB-UHFFFAOYSA-N 0 0 336.417 3.070 10 5 EGBERN Cc1nn(C)c(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000601715532 460881660 /nfs/dbraw/zinc/88/16/60/460881660.db2.gz VLEUWHGETIKRIK-LBPRGKRZSA-N 0 0 328.372 3.082 10 5 EGBERN C[C@@](CO)(NC(=O)c1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601781449 460895984 /nfs/dbraw/zinc/89/59/84/460895984.db2.gz WLJILMHPWNXMGL-IBGZPJMESA-N 0 0 340.379 3.110 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000613285261 460896026 /nfs/dbraw/zinc/89/60/26/460896026.db2.gz IKDOHPALRYMHKH-CYBMUJFWSA-N 0 0 335.404 3.165 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601880609 460934951 /nfs/dbraw/zinc/93/49/51/460934951.db2.gz CGGIQRCKRLUXFR-IAGOWNOFSA-N 0 0 346.427 3.336 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000601887637 460936666 /nfs/dbraw/zinc/93/66/66/460936666.db2.gz SMXPWHBKDZSHEB-NVXWUHKLSA-N 0 0 344.367 3.419 10 5 EGBERN C[C@H](C(=O)Nc1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601887130 460936937 /nfs/dbraw/zinc/93/69/37/460936937.db2.gz ZJLDMHDPFCMSPC-LBPRGKRZSA-N 0 0 328.372 3.334 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000617867864 461008322 /nfs/dbraw/zinc/00/83/22/461008322.db2.gz QZJBHUQQHRSMAS-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC2(CC2(F)F)C1 ZINC000655187093 461128330 /nfs/dbraw/zinc/12/83/30/461128330.db2.gz IHQNJFHCRNLVSY-UHFFFAOYSA-N 0 0 340.329 3.163 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183058072 534218877 /nfs/dbraw/zinc/21/88/77/534218877.db2.gz YNCQPVSIEXFHSN-VHSXEESVSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000187011848 534605454 /nfs/dbraw/zinc/60/54/54/534605454.db2.gz FWYKSGYASJGVJZ-CYBMUJFWSA-N 0 0 347.396 3.102 10 5 EGBERN CC(C)(C)C(=O)N1CCC(CSc2ncccc2[N+](=O)[O-])CC1 ZINC000181756130 527569310 /nfs/dbraw/zinc/56/93/10/527569310.db2.gz OWFIOCNPOKYQCM-UHFFFAOYSA-N 0 0 337.445 3.367 10 5 EGBERN CC(C)CCOc1ccc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000130193400 527783324 /nfs/dbraw/zinc/78/33/24/527783324.db2.gz VFYYTFDXQUCLPG-LBPRGKRZSA-N 0 0 346.387 3.234 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000173592325 528319706 /nfs/dbraw/zinc/31/97/06/528319706.db2.gz CUWDZIWGDKKAKD-CYBMUJFWSA-N 0 0 348.334 3.218 10 5 EGBERN CCOc1cccc(NC[C@H](O)c2ccccc2OC)c1[N+](=O)[O-] ZINC000184057383 528674282 /nfs/dbraw/zinc/67/42/82/528674282.db2.gz GIQLRQUKRNCJJS-AWEZNQCLSA-N 0 0 332.356 3.148 10 5 EGBERN CCc1n[nH]c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000188146210 535997192 /nfs/dbraw/zinc/99/71/92/535997192.db2.gz BSMWWAITHLJYGA-VIFPVBQESA-N 0 0 336.779 3.367 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000338097902 536892938 /nfs/dbraw/zinc/89/29/38/536892938.db2.gz QTZHKOWJRZHOQG-MRXNPFEDSA-N 0 0 344.342 3.089 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC(C(F)F)C1 ZINC000683560345 550243614 /nfs/dbraw/zinc/24/36/14/550243614.db2.gz IHZAIHWHDWPQDP-UHFFFAOYSA-N 0 0 328.318 3.018 10 5 EGBERN CC1(C)CCc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c32)O1 ZINC000014768909 560226160 /nfs/dbraw/zinc/22/61/60/560226160.db2.gz JXBWMJZDYVJVIV-UHFFFAOYSA-N 0 0 328.320 3.167 10 5 in-vitro EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc2ccccc2[nH]1 ZINC000727341476 574662399 /nfs/dbraw/zinc/66/23/99/574662399.db2.gz RSSBEFZNNFTTDN-ZDUSSCGKSA-N 0 0 342.330 3.491 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCc2cc(F)c(F)cc21 ZINC000727708710 574686550 /nfs/dbraw/zinc/68/65/50/574686550.db2.gz DENHXYTVBHKJAP-UHFFFAOYSA-N 0 0 340.232 3.354 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000728252125 574733729 /nfs/dbraw/zinc/73/37/29/574733729.db2.gz CRAJHJQYRXSGPU-BHMZLHOFSA-N 0 0 338.363 3.475 10 5 EGBERN O=C(Cc1coc2cc(O)ccc12)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728988515 574791644 /nfs/dbraw/zinc/79/16/44/574791644.db2.gz RVRZRZNVIBJWPP-UHFFFAOYSA-N 0 0 345.282 3.472 10 5 EGBERN CN(C)c1ccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000729809595 574887311 /nfs/dbraw/zinc/88/73/11/574887311.db2.gz MOSOTCRGTOVTMM-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN CC(C)(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000731720951 575201970 /nfs/dbraw/zinc/20/19/70/575201970.db2.gz PQBRFZXJBNWSQW-UHFFFAOYSA-N 0 0 345.326 3.438 10 5 EGBERN C[C@H](COc1cccc(F)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000731778340 575206545 /nfs/dbraw/zinc/20/65/45/575206545.db2.gz IUUQBHWXHCROLH-GFCCVEGCSA-N 0 0 333.315 3.287 10 5 EGBERN Cc1c(OC(=O)c2cc(Cl)nc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000733098363 575308483 /nfs/dbraw/zinc/30/84/83/575308483.db2.gz PEVGVTIOFJHSQD-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000733189668 575318794 /nfs/dbraw/zinc/31/87/94/575318794.db2.gz UGKZOTAOWBWZMU-GFCCVEGCSA-N 0 0 336.392 3.191 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000733428310 575342926 /nfs/dbraw/zinc/34/29/26/575342926.db2.gz POQXLFJPZXDHLN-JTQLQIEISA-N 0 0 328.315 3.253 10 5 EGBERN C[C@H](OC(=O)COc1cccc(C=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000733596221 575370929 /nfs/dbraw/zinc/37/09/29/575370929.db2.gz UVTJMPSFKMFXIL-LBPRGKRZSA-N 0 0 329.308 3.091 10 5 EGBERN Cc1[nH]nc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)c1C ZINC000734622280 575529338 /nfs/dbraw/zinc/52/93/38/575529338.db2.gz PCIDYXVJPULBTH-UHFFFAOYSA-N 0 0 333.344 3.079 10 5 EGBERN CC(C)(C)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000734818247 575555510 /nfs/dbraw/zinc/55/55/10/575555510.db2.gz IOLYVVODTJIKML-UHFFFAOYSA-N 0 0 338.379 3.397 10 5 EGBERN O=C(/C=C\C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736165261 575906010 /nfs/dbraw/zinc/90/60/10/575906010.db2.gz BECHBORQBLAHIY-WUKHSURWSA-N 0 0 344.415 3.139 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1 ZINC000741887912 576731218 /nfs/dbraw/zinc/73/12/18/576731218.db2.gz FSKFQCPSBWKLRO-UHFFFAOYSA-N 0 0 330.409 3.187 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000741988863 576739891 /nfs/dbraw/zinc/73/98/91/576739891.db2.gz DDMMHWRZPNFHKC-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000743197129 576803049 /nfs/dbraw/zinc/80/30/49/576803049.db2.gz FSXFUGXVMUWGQH-UHFFFAOYSA-N 0 0 342.282 3.255 10 5 EGBERN C[C@@H](OC(=O)c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000743462145 576809757 /nfs/dbraw/zinc/80/97/57/576809757.db2.gz FUWRUMTWFZTCRY-LLVKDONJSA-N 0 0 329.308 3.284 10 5 EGBERN CCc1ccc(OC(=O)CCCOc2cccnc2)c([N+](=O)[O-])c1 ZINC000744151192 576821515 /nfs/dbraw/zinc/82/15/15/576821515.db2.gz IZAMETSNMLOOJG-UHFFFAOYSA-N 0 0 330.340 3.317 10 5 EGBERN CC(C)C[C@H]1CC(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1 ZINC000744430742 576828029 /nfs/dbraw/zinc/82/80/29/576828029.db2.gz IPILMJGTMZGLFJ-KGLIPLIRSA-N 0 0 331.416 3.198 10 5 EGBERN COc1ccc(-c2noc(-c3csc([N+](=O)[O-])c3)n2)cc1OC ZINC000074118687 1292336097 /nfs/dbraw/zinc/33/60/97/1292336097.db2.gz UAKNMWHOCUGOTA-UHFFFAOYSA-N 0 0 333.325 3.391 10 5 EGBERN CCOc1ccc(C(=O)N2CCOc3cc(C)ccc32)cc1[N+](=O)[O-] ZINC000154802771 1294071265 /nfs/dbraw/zinc/07/12/65/1294071265.db2.gz HTGBPPHGAACQEC-UHFFFAOYSA-N 0 0 342.351 3.341 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccc(N3CCCC3)nc2)c1[N+](=O)[O-] ZINC000176714017 1294625910 /nfs/dbraw/zinc/62/59/10/1294625910.db2.gz NHRJIDSCPSFLDN-UHFFFAOYSA-N 0 0 344.346 3.290 10 5 EGBERN C[C@@]1(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000177254762 1294662260 /nfs/dbraw/zinc/66/22/60/1294662260.db2.gz XAVCIMMYLGNDLK-ZDUSSCGKSA-N 0 0 344.161 3.083 10 5 EGBERN C[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000192795283 1295801260 /nfs/dbraw/zinc/80/12/60/1295801260.db2.gz FBWCEDGFFXIFOD-LLVKDONJSA-N 0 0 329.331 3.124 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000870700278 1296027982 /nfs/dbraw/zinc/02/79/82/1296027982.db2.gz GLOYEZVXXVXWNW-CYBMUJFWSA-N 0 0 331.372 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC000870822454 1296101158 /nfs/dbraw/zinc/10/11/58/1296101158.db2.gz LSJDYGYHHBUQKY-XYPYZODXSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000870830208 1296107745 /nfs/dbraw/zinc/10/77/45/1296107745.db2.gz WRDSMPXADHFHCS-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1Cc2ccc(Cl)cc21 ZINC000870830905 1296108151 /nfs/dbraw/zinc/10/81/51/1296108151.db2.gz MFMKBMSUKQYKRW-ABIUDSBCSA-N 0 0 347.758 3.031 10 5 EGBERN CSc1ccc(C(=O)NC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000871164444 1296251921 /nfs/dbraw/zinc/25/19/21/1296251921.db2.gz WAMVKNDUFIUFMT-CQSZACIVSA-N 0 0 338.429 3.394 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NOCCCC(F)(F)F)c1 ZINC000871210771 1296274787 /nfs/dbraw/zinc/27/47/87/1296274787.db2.gz ZQCFTQCKBZVTAW-UHFFFAOYSA-N 0 0 338.307 3.321 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871287873 1296319271 /nfs/dbraw/zinc/31/92/71/1296319271.db2.gz YCLVXDOMEFPBLF-NHYWBVRUSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871298779 1296328414 /nfs/dbraw/zinc/32/84/14/1296328414.db2.gz PDWKUHCDUDVEQG-RISCZKNCSA-N 0 0 338.791 3.183 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000871306416 1296335511 /nfs/dbraw/zinc/33/55/11/1296335511.db2.gz IEWCHMPMPUEDKN-PBHICJAKSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871330171 1296353181 /nfs/dbraw/zinc/35/31/81/1296353181.db2.gz VWCXGJRTLZLIPE-GOSISDBHSA-N 0 0 346.427 3.478 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](OC2CCC2)CC1 ZINC000871333811 1296357299 /nfs/dbraw/zinc/35/72/99/1296357299.db2.gz KIBWZXMKCRZIQW-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000871504302 1296418662 /nfs/dbraw/zinc/41/86/62/1296418662.db2.gz MBOZQPXYHZVULA-UHFFFAOYSA-N 0 0 328.393 3.373 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000871583122 1296441525 /nfs/dbraw/zinc/44/15/25/1296441525.db2.gz LDAIUMDEPRFENR-LBPRGKRZSA-N 0 0 343.383 3.013 10 5 EGBERN C[C@H](Oc1ccc(Br)nc1[N+](=O)[O-])C(=O)C(C)(C)C ZINC000871694430 1296485476 /nfs/dbraw/zinc/48/54/76/1296485476.db2.gz LNYKNKFVIDYNKP-ZETCQYMHSA-N 0 0 331.166 3.135 10 5 EGBERN CC1(C)CO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000871745928 1296513890 /nfs/dbraw/zinc/51/38/90/1296513890.db2.gz MZAXLQPWQQBACP-JTQLQIEISA-N 0 0 327.768 3.185 10 5 EGBERN CCOC(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2CC)n1 ZINC000871836601 1296558460 /nfs/dbraw/zinc/55/84/60/1296558460.db2.gz MKTLJVMHBVURBB-UHFFFAOYSA-N 0 0 329.356 3.341 10 5 EGBERN CC(C)(C)c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCCCF ZINC000872007576 1296649732 /nfs/dbraw/zinc/64/97/32/1296649732.db2.gz SVPWKBWZGRPMEV-UHFFFAOYSA-N 0 0 332.397 3.384 10 5 EGBERN C[C@@H](NCc1ccc2c(c1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872018369 1296660147 /nfs/dbraw/zinc/66/01/47/1296660147.db2.gz KTKMIAAIVKJZJI-LLVKDONJSA-N 0 0 332.331 3.356 10 5 EGBERN COc1ccccc1[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046281 1296697344 /nfs/dbraw/zinc/69/73/44/1296697344.db2.gz WAXCRAJXYWVILD-SMDDNHRTSA-N 0 0 334.347 3.127 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000872753238 1297092974 /nfs/dbraw/zinc/09/29/74/1297092974.db2.gz KAQNVBFKRRSOIE-YMTOWFKASA-N 0 0 346.305 3.344 10 5 EGBERN CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312235896 1297114668 /nfs/dbraw/zinc/11/46/68/1297114668.db2.gz MYBJROKQASZDDZ-SECBINFHSA-N 0 0 342.193 3.157 10 5 EGBERN COc1c(C(=O)O[C@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873577458 1297603155 /nfs/dbraw/zinc/60/31/55/1297603155.db2.gz YPSTYPYCRFVAQL-SMDDNHRTSA-N 0 0 337.372 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCOC2(CCCC2)C1 ZINC000873580847 1297605834 /nfs/dbraw/zinc/60/58/34/1297605834.db2.gz MTZDRYGYYPBYOU-CYBMUJFWSA-N 0 0 335.356 3.252 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000873747539 1297682586 /nfs/dbraw/zinc/68/25/86/1297682586.db2.gz GHBYSDJHCWVAHX-VXGBXAGGSA-N 0 0 334.372 3.210 10 5 EGBERN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCO1 ZINC000585130441 1298035648 /nfs/dbraw/zinc/03/56/48/1298035648.db2.gz PZGRKTIATCGKPE-TZMCWYRMSA-N 0 0 344.371 3.129 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000882080292 1301818477 /nfs/dbraw/zinc/81/84/77/1301818477.db2.gz JDWOAPFTCOKMHX-GFCCVEGCSA-N 0 0 344.346 3.022 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000882718648 1302076018 /nfs/dbraw/zinc/07/60/18/1302076018.db2.gz KZRXZNNUUWTACD-TVQRCGJNSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1ccc(N[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000882735616 1302085168 /nfs/dbraw/zinc/08/51/68/1302085168.db2.gz NFIFFEDQTQLILA-RHNCMZPLSA-N 0 0 326.352 3.260 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CCC3(CCOCC3)CO2)ccc1[N+](=O)[O-] ZINC000882787249 1302104849 /nfs/dbraw/zinc/10/48/49/1302104849.db2.gz KAPOLMLMAHQBRA-HNNXBMFYSA-N 0 0 348.399 3.185 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882912321 1302162228 /nfs/dbraw/zinc/16/22/28/1302162228.db2.gz PZCGGIOMPGOCLX-QGZVFWFLSA-N 0 0 346.427 3.193 10 5 EGBERN CC(=O)c1csc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000887402389 1303781750 /nfs/dbraw/zinc/78/17/50/1303781750.db2.gz BMOKYXUQFMMINF-JTQLQIEISA-N 0 0 332.381 3.392 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1COC(C)(C)C1 ZINC000888279826 1304097202 /nfs/dbraw/zinc/09/72/02/1304097202.db2.gz RTXNBWCZIKBROV-VIFPVBQESA-N 0 0 327.768 3.246 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000890173467 1304692755 /nfs/dbraw/zinc/69/27/55/1304692755.db2.gz LYZORHYUQXCZQY-KBXCAEBGSA-N 0 0 344.411 3.209 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000892647008 1305487860 /nfs/dbraw/zinc/48/78/60/1305487860.db2.gz AEODSPRJSOHQPT-LSDHHAIUSA-N 0 0 341.367 3.144 10 5 EGBERN CCOc1ccc(C(=O)NCC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000893364172 1305849760 /nfs/dbraw/zinc/84/97/60/1305849760.db2.gz MIIUXFZKXLGXQU-UHFFFAOYSA-N 0 0 328.315 3.159 10 5 EGBERN CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893861303 1306102185 /nfs/dbraw/zinc/10/21/85/1306102185.db2.gz ITYDHRIXUBJYJI-PWSUYJOCSA-N 0 0 326.780 3.183 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccns1 ZINC000894064938 1306199238 /nfs/dbraw/zinc/19/92/38/1306199238.db2.gz OLORICUMSPPNJG-ZDUSSCGKSA-N 0 0 333.413 3.279 10 5 EGBERN C[C@H](C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000894270102 1306313244 /nfs/dbraw/zinc/31/32/44/1306313244.db2.gz VDBWRHJIHNDKAO-VIFPVBQESA-N 0 0 333.319 3.019 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000894352790 1306355924 /nfs/dbraw/zinc/35/59/24/1306355924.db2.gz UFEAZVRZMGQWED-BETUJISGSA-N 0 0 334.441 3.327 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894385192 1306370958 /nfs/dbraw/zinc/37/09/58/1306370958.db2.gz RRCDUTVHWDRSNW-WFASDCNBSA-N 0 0 342.317 3.328 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894387269 1306371182 /nfs/dbraw/zinc/37/11/82/1306371182.db2.gz WANUAYHTYMLLND-UFBFGSQYSA-N 0 0 334.319 3.461 10 5 EGBERN C/C(=C\C(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000894403297 1308857839 /nfs/dbraw/zinc/85/78/39/1308857839.db2.gz VEIKANMEYDHAES-WQMJKPAKSA-N 0 0 330.384 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000894702455 1309028608 /nfs/dbraw/zinc/02/86/08/1309028608.db2.gz UMDVWVSRTKYDCI-ABAIWWIYSA-N 0 0 338.791 3.198 10 5 EGBERN CCc1nn(C)c(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1[N+](=O)[O-] ZINC000896131384 1309713990 /nfs/dbraw/zinc/71/39/90/1309713990.db2.gz NGKMYUMVSIYDGI-DGCLKSJQSA-N 0 0 336.342 3.352 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000897283327 1310267886 /nfs/dbraw/zinc/26/78/86/1310267886.db2.gz IYPFTYHPCAGHOK-GFCCVEGCSA-N 0 0 331.397 3.323 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000897563865 1310383109 /nfs/dbraw/zinc/38/31/09/1310383109.db2.gz YKFKYIKWVQUHDT-HUUCEWRRSA-N 0 0 332.400 3.440 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1cccn1 ZINC000898922025 1310873935 /nfs/dbraw/zinc/87/39/35/1310873935.db2.gz XMHPGPSHOAESQE-UHFFFAOYSA-N 0 0 348.428 3.068 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@@]2(C)CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000857605925 1328562619 /nfs/dbraw/zinc/56/26/19/1328562619.db2.gz SPRRGPTZKXZKCC-KRWDZBQOSA-N 0 0 333.340 3.423 10 5 EGBERN Cc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ncc1[N+](=O)[O-] ZINC000858008994 1328655386 /nfs/dbraw/zinc/65/53/86/1328655386.db2.gz ITJNAFCNHWWGLM-OAHLLOKOSA-N 0 0 340.383 3.228 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000899460843 1317046044 /nfs/dbraw/zinc/04/60/44/1317046044.db2.gz JSEUVUCMQUKEKK-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN CN(Cc1cnn(CCF)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863940 1328724256 /nfs/dbraw/zinc/72/42/56/1328724256.db2.gz RHVBIUMETQDBMO-UHFFFAOYSA-N 0 0 326.759 3.046 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])no1 ZINC000929875702 1328728064 /nfs/dbraw/zinc/72/80/64/1328728064.db2.gz LSVYXTIPXUSHJJ-INIZCTEOSA-N 0 0 347.346 3.327 10 5 EGBERN C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000858520074 1328787116 /nfs/dbraw/zinc/78/71/16/1328787116.db2.gz CMBKPHFJYYHXOF-NSHDSACASA-N 0 0 346.387 3.468 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386414 1319021501 /nfs/dbraw/zinc/02/15/01/1319021501.db2.gz UHQHXJDWBPCYBH-GXFFZTMASA-N 0 0 344.770 3.209 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000913586697 1319063841 /nfs/dbraw/zinc/06/38/41/1319063841.db2.gz AIIWLAMUFIKURK-TZMCWYRMSA-N 0 0 342.399 3.033 10 5 EGBERN Cc1ccc(CNC(=O)c2cn(C)nc2C2CCCC2)cc1[N+](=O)[O-] ZINC000913754706 1319116491 /nfs/dbraw/zinc/11/64/91/1319116491.db2.gz VSWDSSFZQUPVPB-UHFFFAOYSA-N 0 0 342.399 3.224 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](c3cc(C)ccn3)C2)c1 ZINC000858615326 1328811214 /nfs/dbraw/zinc/81/12/14/1328811214.db2.gz SDYCCPQLSBZENW-GFCCVEGCSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1csc(C)c1S(=O)(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000913905714 1319171601 /nfs/dbraw/zinc/17/16/01/1319171601.db2.gz UQAGCSOGYKZJTR-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN C[C@@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914239000 1319273765 /nfs/dbraw/zinc/27/37/65/1319273765.db2.gz PIEPHPCYMXOHFT-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCSC2(CCC2)C1 ZINC000914325463 1319295858 /nfs/dbraw/zinc/29/58/58/1319295858.db2.gz KQBVISKSVBXHMQ-CQSZACIVSA-N 0 0 349.456 3.255 10 5 EGBERN C[C@@H](NS(=O)(=O)CCCC(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC000914330935 1319296646 /nfs/dbraw/zinc/29/66/46/1319296646.db2.gz GOZYEUYENWYNHT-SNVBAGLBSA-N 0 0 336.360 3.011 10 5 EGBERN C[C@@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000914330889 1319297126 /nfs/dbraw/zinc/29/71/26/1319297126.db2.gz GAANLLUPOOBZQC-CQSZACIVSA-N 0 0 348.424 3.208 10 5 EGBERN O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1nc2ccccc2o1 ZINC000915449271 1319485634 /nfs/dbraw/zinc/48/56/34/1319485634.db2.gz WLZICJSXQGBKQC-UHFFFAOYSA-N 0 0 342.307 3.248 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2cccc(F)c2)c2nonc21 ZINC000917085132 1319752080 /nfs/dbraw/zinc/75/20/80/1319752080.db2.gz ZRTFFAXCFLZBAC-CYBMUJFWSA-N 0 0 342.330 3.482 10 5 EGBERN CCc1nc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000917389767 1319799274 /nfs/dbraw/zinc/79/92/74/1319799274.db2.gz QTWWIQSUOLMTLN-SNVBAGLBSA-N 0 0 334.401 3.174 10 5 EGBERN COC(=O)c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000917468531 1319816652 /nfs/dbraw/zinc/81/66/52/1319816652.db2.gz NIIKACNXYIOALA-ZSPDNNCOSA-N 0 0 327.283 3.052 10 5 EGBERN Cn1nc(C(F)(F)F)cc1COc1ccc([N+](=O)[O-])c(F)c1F ZINC000917795869 1319873263 /nfs/dbraw/zinc/87/32/63/1319873263.db2.gz KDGPGQOFMFSFSZ-UHFFFAOYSA-N 0 0 337.204 3.204 10 5 EGBERN CC(C)(C)Oc1cccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)n1 ZINC000858774247 1328857485 /nfs/dbraw/zinc/85/74/85/1328857485.db2.gz ZBNYUJRDBHYZDM-UHFFFAOYSA-N 0 0 334.376 3.297 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2CC[C@@H](C3CC3)O2)c(F)c1F ZINC000917929317 1319888927 /nfs/dbraw/zinc/88/89/27/1319888927.db2.gz QRXBXIJCECSXFI-YUMQZZPRSA-N 0 0 335.253 3.488 10 5 EGBERN Cc1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000930732724 1328952687 /nfs/dbraw/zinc/95/26/87/1328952687.db2.gz SQMUJKUSLAPJSK-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN CCO[C@H](COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000859473849 1328995683 /nfs/dbraw/zinc/99/56/83/1328995683.db2.gz ZZGDSOSZXOQQMG-QGZVFWFLSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H](OC(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000920155539 1322146009 /nfs/dbraw/zinc/14/60/09/1322146009.db2.gz WESQJQJGXWBJBO-JTQLQIEISA-N 0 0 327.296 3.496 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CCCCCCCO)n2)c1 ZINC000920413003 1322174770 /nfs/dbraw/zinc/17/47/70/1322174770.db2.gz WJZRHGMEOYDJPU-UHFFFAOYSA-N 0 0 338.795 3.450 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)c1c[nH]c2cc(F)ccc12 ZINC000920625007 1322198776 /nfs/dbraw/zinc/19/87/76/1322198776.db2.gz OOZXNSBVTVYART-UHFFFAOYSA-N 0 0 344.298 3.451 10 5 EGBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)C1=O ZINC000930972282 1329018100 /nfs/dbraw/zinc/01/81/00/1329018100.db2.gz FZXHZRBZDWKPDX-NXEZZACHSA-N 0 0 341.205 3.014 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859552616 1329015229 /nfs/dbraw/zinc/01/52/29/1329015229.db2.gz BAFPSQCTDVNBNR-DOMZBBRYSA-N 0 0 328.368 3.029 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000921337003 1322295906 /nfs/dbraw/zinc/29/59/06/1322295906.db2.gz CCLLYWMGJHXLQF-BBRMVZONSA-N 0 0 347.415 3.365 10 5 EGBERN C[C@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921806662 1322400917 /nfs/dbraw/zinc/40/09/17/1322400917.db2.gz LFXMZTFXDSKTIK-KBPBESRZSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922403845 1322520818 /nfs/dbraw/zinc/52/08/18/1322520818.db2.gz VGRVBGVLIMFXFB-CMPLNLGQSA-N 0 0 333.262 3.170 10 5 EGBERN CC(C)(CCC(=O)OC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[N+](=O)[O-] ZINC000922769946 1322613354 /nfs/dbraw/zinc/61/33/54/1322613354.db2.gz AXHXMODSOPJACG-TZMCWYRMSA-N 0 0 327.327 3.414 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000922961238 1322663155 /nfs/dbraw/zinc/66/31/55/1322663155.db2.gz ZCVSRJPVDDMXAH-DGCLKSJQSA-N 0 0 328.372 3.115 10 5 EGBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859637224 1329041645 /nfs/dbraw/zinc/04/16/45/1329041645.db2.gz JVQIIELWCPFYON-XIKOKIGWSA-N 0 0 330.384 3.275 10 5 EGBERN Cc1nccnc1COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923598200 1322779562 /nfs/dbraw/zinc/77/95/62/1322779562.db2.gz JGDUWQAXCFUZID-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1CCCOC1 ZINC000923595887 1322779577 /nfs/dbraw/zinc/77/95/77/1322779577.db2.gz XITWOXAMENPWCK-NSHDSACASA-N 0 0 327.764 3.151 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H](F)C(F)(F)F ZINC000923961208 1322857004 /nfs/dbraw/zinc/85/70/04/1322857004.db2.gz HXGDYOLWVSRVSF-SNVBAGLBSA-N 0 0 327.205 3.110 10 5 EGBERN C[C@H](c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000924174433 1322924154 /nfs/dbraw/zinc/92/41/54/1322924154.db2.gz UCUQEJHMMIYBAE-IINYFYTJSA-N 0 0 335.335 3.185 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1Cl ZINC000924209050 1322935154 /nfs/dbraw/zinc/93/51/54/1322935154.db2.gz CXKDJYGQFYAIPK-LLVKDONJSA-N 0 0 338.791 3.327 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000924238772 1322948794 /nfs/dbraw/zinc/94/87/94/1322948794.db2.gz FXVJEVRVENSPCT-TYNCELHUSA-N 0 0 339.775 3.292 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H]1CC=CCC1 ZINC000924240676 1322949218 /nfs/dbraw/zinc/94/92/18/1322949218.db2.gz UJYNOYZAAFNSRW-CYBMUJFWSA-N 0 0 332.356 3.131 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@H]1CCC2(CCC2)O1 ZINC000924240640 1322949453 /nfs/dbraw/zinc/94/94/53/1322949453.db2.gz UAMNCEIPCAILMM-GFCCVEGCSA-N 0 0 339.775 3.436 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OC[C@H]1C[C@@H]1C ZINC000859712080 1329061004 /nfs/dbraw/zinc/06/10/04/1329061004.db2.gz ZRYHLVBOGOKQTH-IONNQARKSA-N 0 0 326.736 3.019 10 5 EGBERN C[C@@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C=CCC1 ZINC000924399497 1323008081 /nfs/dbraw/zinc/00/80/81/1323008081.db2.gz BCXFXYPHSKHNQA-OAHLLOKOSA-N 0 0 338.747 3.086 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1(CCc2ccccc2)CC1 ZINC000924413458 1323013428 /nfs/dbraw/zinc/01/34/28/1323013428.db2.gz SQBQZTYFEYEGDU-UHFFFAOYSA-N 0 0 343.383 3.056 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000924493905 1323037128 /nfs/dbraw/zinc/03/71/28/1323037128.db2.gz MHLVACQXJHGSQU-CABZTGNLSA-N 0 0 347.293 3.135 10 5 EGBERN C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)NC(C)(C)C ZINC000859810648 1329083587 /nfs/dbraw/zinc/08/35/87/1329083587.db2.gz SWWPZPDNXXWFOD-NSHDSACASA-N 0 0 344.367 3.208 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000931266542 1329082625 /nfs/dbraw/zinc/08/26/25/1329082625.db2.gz AVESFXLSLCUIAE-POHAHGRESA-N 0 0 342.351 3.402 10 5 EGBERN Cc1cccc(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000931307568 1329090610 /nfs/dbraw/zinc/09/06/10/1329090610.db2.gz LVNFMMZMXMKOCK-UHFFFAOYSA-N 0 0 330.359 3.334 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000859907217 1329109004 /nfs/dbraw/zinc/10/90/04/1329109004.db2.gz VDEDUFRKNOZDCU-SECBINFHSA-N 0 0 336.779 3.333 10 5 EGBERN COC(=O)[C@](C)(NCCSC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000859945166 1329115490 /nfs/dbraw/zinc/11/54/90/1329115490.db2.gz MNBLQHPOWCJDOZ-MRXNPFEDSA-N 0 0 340.445 3.104 10 5 EGBERN CCn1ccnc1Sc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000931435376 1329117062 /nfs/dbraw/zinc/11/70/62/1329117062.db2.gz CTTZDOIZCIJZSJ-ALCCZGGFSA-N 0 0 333.369 3.149 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccnn1C ZINC000931495239 1329130572 /nfs/dbraw/zinc/13/05/72/1329130572.db2.gz FPJDKFYYBRHWHF-MRXNPFEDSA-N 0 0 343.387 3.260 10 5 EGBERN O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860160258 1329162591 /nfs/dbraw/zinc/16/25/91/1329162591.db2.gz NNUKKWYXJXRNDM-XBXGTLAGSA-N 0 0 328.368 3.029 10 5 EGBERN CCCCN(CCCO)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860598724 1329334625 /nfs/dbraw/zinc/33/46/25/1329334625.db2.gz RKWVOGUCZHUETI-UHFFFAOYSA-N 0 0 330.384 3.373 10 5 EGBERN COc1cc(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000927401987 1328007607 /nfs/dbraw/zinc/00/76/07/1328007607.db2.gz MCNSHGNBMJISLW-VGPLMAKISA-N 0 0 336.413 3.007 10 5 EGBERN CC(C)(CCC(=O)Nc1nc2ccccc2n1CC1CC1)[N+](=O)[O-] ZINC000928461195 1328324962 /nfs/dbraw/zinc/32/49/62/1328324962.db2.gz TZWIDSXGIOUSQL-UHFFFAOYSA-N 0 0 330.388 3.220 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000928601726 1328369890 /nfs/dbraw/zinc/36/98/90/1328369890.db2.gz FLAMUINCGNKAPD-LBPRGKRZSA-N 0 0 343.383 3.200 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000861446375 1329418941 /nfs/dbraw/zinc/41/89/41/1329418941.db2.gz UHWKVRJJHNWUNW-DTWKUNHWSA-N 0 0 325.189 3.397 10 5 EGBERN CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928926469 1328475259 /nfs/dbraw/zinc/47/52/59/1328475259.db2.gz RAYANCYXCKYATC-CHWSQXEVSA-N 0 0 348.790 3.388 10 5 EGBERN CC(C)(/C=C/Cl)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928929845 1328475698 /nfs/dbraw/zinc/47/56/98/1328475698.db2.gz MFFRWCWHPQOZCI-AATRIKPKSA-N 0 0 334.706 3.457 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CCOCC2)C1 ZINC000929116597 1328509144 /nfs/dbraw/zinc/50/91/44/1328509144.db2.gz SWTSRKHULWXSEP-AWEZNQCLSA-N 0 0 333.388 3.265 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861746376 1329439026 /nfs/dbraw/zinc/43/90/26/1329439026.db2.gz KMZWVEIOIWOBGV-LJQANCHMSA-N 0 0 342.395 3.373 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000862141651 1329461744 /nfs/dbraw/zinc/46/17/44/1329461744.db2.gz ISDVVPLRKQBWNC-ZFWWWQNUSA-N 0 0 338.791 3.326 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862227492 1329468260 /nfs/dbraw/zinc/46/82/60/1329468260.db2.gz CVCZCEVRMGHWFF-ZDUSSCGKSA-N 0 0 328.368 3.293 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862227491 1329468277 /nfs/dbraw/zinc/46/82/77/1329468277.db2.gz CVCZCEVRMGHWFF-CYBMUJFWSA-N 0 0 328.368 3.293 10 5 EGBERN COCC1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000862240559 1329469644 /nfs/dbraw/zinc/46/96/44/1329469644.db2.gz OTJVCWWLYCUUNE-UHFFFAOYSA-N 0 0 326.780 3.327 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@](C)(C(F)F)O1 ZINC000862242163 1329469932 /nfs/dbraw/zinc/46/99/32/1329469932.db2.gz YVJPRFUKPROOEB-XLKFXECMSA-N 0 0 348.733 3.133 10 5 EGBERN CCC(NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)(C1CC1)C1CC1 ZINC000862687134 1329502942 /nfs/dbraw/zinc/50/29/42/1329502942.db2.gz CVZLXIZHMFUIRZ-UHFFFAOYSA-N 0 0 349.406 3.499 10 5 EGBERN CCn1ncc(CSc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000863308745 1329545370 /nfs/dbraw/zinc/54/53/70/1329545370.db2.gz LPLMZLLNOQUFPL-UHFFFAOYSA-N 0 0 343.206 3.261 10 5 EGBERN O=[N+]([O-])c1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000863372670 1329550439 /nfs/dbraw/zinc/55/04/39/1329550439.db2.gz YYDPASHVLKUKQC-UHFFFAOYSA-N 0 0 340.183 3.272 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000863508243 1329559588 /nfs/dbraw/zinc/55/95/88/1329559588.db2.gz PHOUYLAFEDAXFQ-UHFFFAOYSA-N 0 0 331.294 3.030 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccns1 ZINC000863612673 1329567293 /nfs/dbraw/zinc/56/72/93/1329567293.db2.gz MUPKSIFYLPIQDM-AAEUAGOBSA-N 0 0 333.413 3.497 10 5 EGBERN CC(C)[C@H](C)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864773261 1329641676 /nfs/dbraw/zinc/64/16/76/1329641676.db2.gz KCYXSKQPANFYNM-JTQLQIEISA-N 0 0 343.221 3.403 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000864822335 1329644794 /nfs/dbraw/zinc/64/47/94/1329644794.db2.gz GQAUVJDTJJALJJ-UHFFFAOYSA-N 0 0 334.763 3.121 10 5 EGBERN O=C(NCCSC(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864892910 1329649968 /nfs/dbraw/zinc/64/99/68/1329649968.db2.gz QJWCCYIPQJQGOD-UHFFFAOYSA-N 0 0 348.346 3.386 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865505989 1329706598 /nfs/dbraw/zinc/70/65/98/1329706598.db2.gz OJDMNFWGNIAFIP-HNNXBMFYSA-N 0 0 332.331 3.389 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC(c3cccnc3)CC2)cc1F ZINC000865652796 1329725365 /nfs/dbraw/zinc/72/53/65/1329725365.db2.gz IAKNCHCIFDYZRF-UHFFFAOYSA-N 0 0 331.347 3.005 10 5 EGBERN Cc1cc(Nc2ncc(F)cc2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000865670479 1329727660 /nfs/dbraw/zinc/72/76/60/1329727660.db2.gz ZFERYEJVJQHHDU-UHFFFAOYSA-N 0 0 332.335 3.018 10 5 EGBERN CCn1nc(C)c(CN(C)c2ccc([N+](=O)[O-])cc2COC)c1C ZINC000865993369 1329757360 /nfs/dbraw/zinc/75/73/60/1329757360.db2.gz XGVFDFYZCRLXCI-UHFFFAOYSA-N 0 0 332.404 3.211 10 5 EGBERN Cc1ccnc(NCc2ccc(C3(C)OCCO3)cc2)c1[N+](=O)[O-] ZINC000866007033 1329758644 /nfs/dbraw/zinc/75/86/44/1329758644.db2.gz DXSLXYZILKKOLU-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(F)F)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000934209440 1329955817 /nfs/dbraw/zinc/95/58/17/1329955817.db2.gz NUZSGIGAXSRPKR-NSHDSACASA-N 0 0 336.298 3.204 10 5 EGBERN COCC1(C2CC2)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000866057355 1330060658 /nfs/dbraw/zinc/06/06/58/1330060658.db2.gz XDWPSDREZYFAKO-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C(F)F)CC2)c(OC(F)F)c1 ZINC000866064532 1330061359 /nfs/dbraw/zinc/06/13/59/1330061359.db2.gz SPYAACCXVGKQEN-JTQLQIEISA-N 0 0 338.257 3.057 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCO[C@H](C(F)F)CC3)sc2c1 ZINC000866064776 1330061648 /nfs/dbraw/zinc/06/16/48/1330061648.db2.gz XOLVUHUKIWKABL-JTQLQIEISA-N 0 0 329.328 3.065 10 5 EGBERN Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000866094958 1330065023 /nfs/dbraw/zinc/06/50/23/1330065023.db2.gz RMSCYESKCATEDF-LJQANCHMSA-N 0 0 341.411 3.479 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000866129560 1330068436 /nfs/dbraw/zinc/06/84/36/1330068436.db2.gz ICSDASNZKMDNRR-XHDPSFHLSA-N 0 0 337.351 3.061 10 5 EGBERN Nc1cc(N2CCC[C@@](F)(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000866148925 1330070774 /nfs/dbraw/zinc/07/07/74/1330070774.db2.gz AOHHBDMDYURDQV-SFHVURJKSA-N 0 0 345.374 3.135 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2CSC[C@H]2C1 ZINC000866151532 1330071296 /nfs/dbraw/zinc/07/12/96/1330071296.db2.gz JVTQAHVZXBDIQS-NXEZZACHSA-N 0 0 341.820 3.465 10 5 EGBERN Cc1cc(N2Cc3cccnc3N3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000866157515 1330071677 /nfs/dbraw/zinc/07/16/77/1330071677.db2.gz YECNTRVDTPRICC-CQSZACIVSA-N 0 0 342.374 3.426 10 5 EGBERN COC(=O)c1cc(C)nc(NCC(C)(C)C(C)(F)F)c1[N+](=O)[O-] ZINC000866186397 1330075093 /nfs/dbraw/zinc/07/50/93/1330075093.db2.gz ZWAXKDZDJPVVPG-UHFFFAOYSA-N 0 0 331.319 3.178 10 5 EGBERN COc1cc(NC[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000866194071 1330076734 /nfs/dbraw/zinc/07/67/34/1330076734.db2.gz GJEXTAVJUCXSJS-INIZCTEOSA-N 0 0 343.383 3.211 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2cncc(C)c2)c1 ZINC000866276970 1330089409 /nfs/dbraw/zinc/08/94/09/1330089409.db2.gz GNEGGARTHLQBOA-OAHLLOKOSA-N 0 0 341.367 3.426 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@@H]3[C@H]3C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000866943916 1330160012 /nfs/dbraw/zinc/16/00/12/1330160012.db2.gz NTIXGUPCUWLABK-GWNIPJSYSA-N 0 0 329.356 3.337 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)C[C@H]1CCC1(F)F ZINC000866963744 1330161208 /nfs/dbraw/zinc/16/12/08/1330161208.db2.gz XTJFRYOTCBGWCE-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN CC(C)C1(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000867120398 1330176621 /nfs/dbraw/zinc/17/66/21/1330176621.db2.gz QBWIBIWCTQYZHJ-UHFFFAOYSA-N 0 0 336.369 3.040 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3CCSc4ccccc43)no2)n1 ZINC000867148640 1330179330 /nfs/dbraw/zinc/17/93/30/1330179330.db2.gz SNJKNHLDISGSTG-JTQLQIEISA-N 0 0 343.368 3.006 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000868103483 1330249538 /nfs/dbraw/zinc/24/95/38/1330249538.db2.gz HLFPFFJGHYMAAL-GOSISDBHSA-N 0 0 346.333 3.374 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000868103484 1330249721 /nfs/dbraw/zinc/24/97/21/1330249721.db2.gz HLFPFFJGHYMAAL-SFHVURJKSA-N 0 0 346.333 3.374 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000868121357 1330251811 /nfs/dbraw/zinc/25/18/11/1330251811.db2.gz GWSAOPRFDWQGCG-NUTKFTJISA-N 0 0 347.415 3.018 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC1=CCCC1 ZINC000869286503 1330453845 /nfs/dbraw/zinc/45/38/45/1330453845.db2.gz HCIXFKFTBNTUQN-UHFFFAOYSA-N 0 0 339.189 3.126 10 5 EGBERN CC1(C)C[C@]1(C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869289596 1330454447 /nfs/dbraw/zinc/45/44/47/1330454447.db2.gz NXPSXKCGMZSUON-AWEZNQCLSA-N 0 0 341.205 3.205 10 5 EGBERN COc1c(C(=O)OCc2c(C)cc(C)nc2C)cccc1[N+](=O)[O-] ZINC000869510022 1330513808 /nfs/dbraw/zinc/51/38/08/1330513808.db2.gz QYLXFHPQWXVSRM-UHFFFAOYSA-N 0 0 330.340 3.281 10 5 EGBERN CCN1C[C@@H](CN(C)c2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC001184674928 1387506760 /nfs/dbraw/zinc/50/67/60/1387506760.db2.gz ZRSMPISJWHONCO-CYBMUJFWSA-N 0 0 345.374 3.458 10 5 EGBERN C[C@@H](c1ccccc1)[C@@H](CO)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001185281208 1387668169 /nfs/dbraw/zinc/66/81/69/1387668169.db2.gz DXZMPZXQUDJEPW-MEDUHNTESA-N 0 0 326.356 3.048 10 5 EGBERN CC[C@H](C)[C@@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001185354085 1387691193 /nfs/dbraw/zinc/69/11/93/1387691193.db2.gz BIKNRVBZKSXPQE-QFYYESIMSA-N 0 0 337.807 3.427 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCOCc1ccccc1 ZINC001185584727 1387756205 /nfs/dbraw/zinc/75/62/05/1387756205.db2.gz SFMIVMFRDQONNZ-UHFFFAOYSA-N 0 0 341.342 3.333 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 ZINC001189591545 1367063103 /nfs/dbraw/zinc/06/31/03/1367063103.db2.gz DCAGVXFFQJTOEB-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN CN(C(=O)COc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001189830613 1367117178 /nfs/dbraw/zinc/11/71/78/1367117178.db2.gz BGAVXXCYSFJLQM-UHFFFAOYSA-N 0 0 338.722 3.429 10 5 EGBERN CC(C)CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001191496484 1367514376 /nfs/dbraw/zinc/51/43/76/1367514376.db2.gz QBDAINGZHWAAOJ-UHFFFAOYSA-N 0 0 345.443 3.242 10 5 EGBERN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2NC1=O ZINC001191790540 1367588635 /nfs/dbraw/zinc/58/86/35/1367588635.db2.gz YIULTYNXWAJDGB-NSHDSACASA-N 0 0 329.331 3.329 10 5 EGBERN CCn1cc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001186381876 1387931659 /nfs/dbraw/zinc/93/16/59/1387931659.db2.gz XLWWZTPMSLTSHS-UHFFFAOYSA-N 0 0 331.763 3.047 10 5 EGBERN C[C@@H](N[C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135111 1368751729 /nfs/dbraw/zinc/75/17/29/1368751729.db2.gz GSSKYMVENXFEBN-BDJLRTHQSA-N 0 0 349.337 3.361 10 5 EGBERN Cc1cc(N(C)Cc2cc([N+](=O)[O-])ccc2Br)n[nH]1 ZINC001197136282 1368752983 /nfs/dbraw/zinc/75/29/83/1368752983.db2.gz YXGVUQLJRPPUSO-UHFFFAOYSA-N 0 0 325.166 3.025 10 5 EGBERN Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001197657358 1368864990 /nfs/dbraw/zinc/86/49/90/1368864990.db2.gz BBUMJQWWYGHIKE-LBPRGKRZSA-N 0 0 331.347 3.332 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC001186550432 1387969879 /nfs/dbraw/zinc/96/98/79/1387969879.db2.gz LXPQFYFPXSOZJL-LBPRGKRZSA-N 0 0 338.820 3.353 10 5 EGBERN Cc1ccc(CN2CCN(c3cc(Cl)ccn3)CC2)cc1[N+](=O)[O-] ZINC001197936900 1368928016 /nfs/dbraw/zinc/92/80/16/1368928016.db2.gz CJHOZJUSDADSHA-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN C[C@H]1CCC[C@]1(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001186571630 1387971612 /nfs/dbraw/zinc/97/16/12/1387971612.db2.gz NNWURQMNKHHNQO-QFYYESIMSA-N 0 0 335.791 3.181 10 5 EGBERN CC[C@@]1(CNc2c(Cl)cncc2[N+](=O)[O-])OCCc2ccccc21 ZINC001186639547 1387992273 /nfs/dbraw/zinc/99/22/73/1387992273.db2.gz IBFNLMDVFNCPLQ-KRWDZBQOSA-N 0 0 347.802 3.355 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCCC1(O)CCC1 ZINC001186731105 1388001344 /nfs/dbraw/zinc/00/13/44/1388001344.db2.gz RGJORKBWOYLGCB-UHFFFAOYSA-N 0 0 335.791 3.325 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC001187124076 1388056492 /nfs/dbraw/zinc/05/64/92/1388056492.db2.gz VPAMPOKWWWDNBJ-VGVVRCBHSA-N 0 0 340.326 3.484 10 5 EGBERN Cc1cnc(SC2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001187189516 1388067257 /nfs/dbraw/zinc/06/72/57/1388067257.db2.gz ATGGSHYIUGMFKA-UHFFFAOYSA-N 0 0 325.390 3.010 10 5 EGBERN COc1cc(NCc2ncc(C)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC001116255780 1370870340 /nfs/dbraw/zinc/87/03/40/1370870340.db2.gz KZEKOAYZXWYWNE-UHFFFAOYSA-N 0 0 335.335 3.375 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001118720656 1371216041 /nfs/dbraw/zinc/21/60/41/1371216041.db2.gz MEDPHRDAEJDZTM-JLLWLGSASA-N 0 0 330.718 3.412 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001118793004 1371229316 /nfs/dbraw/zinc/22/93/16/1371229316.db2.gz JJJJFFSAERDPRZ-HNNXBMFYSA-N 0 0 340.383 3.310 10 5 EGBERN CC(C)(C)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001118838479 1371236830 /nfs/dbraw/zinc/23/68/30/1371236830.db2.gz WUHYNFDHFIBAOX-AWEZNQCLSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC001119047152 1371268925 /nfs/dbraw/zinc/26/89/25/1371268925.db2.gz ZVVMYTGTHJQCRP-BUYFANAVSA-N 0 0 333.171 3.197 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCC2(COC2)CC1 ZINC001119507867 1371357630 /nfs/dbraw/zinc/35/76/30/1371357630.db2.gz RWZLMFBEZMCSFC-UHFFFAOYSA-N 0 0 338.791 3.246 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)O1 ZINC001119710301 1371392365 /nfs/dbraw/zinc/39/23/65/1371392365.db2.gz WFKPIJHVAFBLRN-AWEZNQCLSA-N 0 0 347.415 3.214 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CC[C@H]4C[C@H]43)c2c1 ZINC001187632962 1388134086 /nfs/dbraw/zinc/13/40/86/1388134086.db2.gz GYTNKUKGXRWJBM-GVXVVHGQSA-N 0 0 342.355 3.321 10 5 EGBERN COc1cc(-c2nnc(CCOc3ccccc3)o2)ccc1[N+](=O)[O-] ZINC001326282045 1388141415 /nfs/dbraw/zinc/14/14/15/1388141415.db2.gz XEMYLCDBWMNEOJ-UHFFFAOYSA-N 0 0 341.323 3.275 10 5 EGBERN CCOC(=O)[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001187765711 1388157714 /nfs/dbraw/zinc/15/77/14/1388157714.db2.gz OUTOPJNEFHWNKP-VIFPVBQESA-N 0 0 332.278 3.003 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc([N+](=O)[O-])nc3)CCC[C@H]12 ZINC001187881458 1388183449 /nfs/dbraw/zinc/18/34/49/1388183449.db2.gz ZVCDVAXRJABECU-GUYCJALGSA-N 0 0 348.403 3.334 10 5 EGBERN COC(=O)c1ccccc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001124193905 1372682753 /nfs/dbraw/zinc/68/27/53/1372682753.db2.gz HRCGTWVQRFAASD-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C([C@@H]1CCC=CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001124254031 1372688157 /nfs/dbraw/zinc/68/81/57/1372688157.db2.gz NAVZUYKRGARGNI-MRXNPFEDSA-N 0 0 343.427 3.380 10 5 EGBERN Cc1csc2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)cn12 ZINC001124332068 1372692521 /nfs/dbraw/zinc/69/25/21/1372692521.db2.gz RPPUIBXGEYBHAS-UHFFFAOYSA-N 0 0 330.369 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncc2c(F)cccn21 ZINC001124333155 1372692805 /nfs/dbraw/zinc/69/28/05/1372692805.db2.gz ZYWPBHKMJFOORM-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1-n1cccn1 ZINC001124340483 1372693389 /nfs/dbraw/zinc/69/33/89/1372693389.db2.gz CCHDFPRXOATNFB-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001124462393 1372703419 /nfs/dbraw/zinc/70/34/19/1372703419.db2.gz OLAIEYFEWBHRQL-MRXNPFEDSA-N 0 0 348.790 3.021 10 5 EGBERN COc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC001124626384 1372717961 /nfs/dbraw/zinc/71/79/61/1372717961.db2.gz WSLKDSPDFYEARH-UHFFFAOYSA-N 0 0 337.335 3.428 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)COC(=O)N2 ZINC001124681868 1372721744 /nfs/dbraw/zinc/72/17/44/1372721744.db2.gz VFOQQOODMZOPRI-UHFFFAOYSA-N 0 0 349.249 3.187 10 5 EGBERN Cc1c(OC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001125296010 1372767661 /nfs/dbraw/zinc/76/76/61/1372767661.db2.gz CFSIXAKYJMUPCO-AWEZNQCLSA-N 0 0 337.372 3.423 10 5 EGBERN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC001126683564 1372997460 /nfs/dbraw/zinc/99/74/60/1372997460.db2.gz ZFWFJLDQGAUBFM-CQSZACIVSA-N 0 0 344.371 3.469 10 5 EGBERN COc1cc(Cl)c(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001126784305 1373022465 /nfs/dbraw/zinc/02/24/65/1373022465.db2.gz VHFPZAIYKDTWTN-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1(C)C ZINC001126844219 1373040342 /nfs/dbraw/zinc/04/03/42/1373040342.db2.gz LOWHQOPEMKIXLH-HZPDHXFCSA-N 0 0 349.431 3.354 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001127204604 1373103226 /nfs/dbraw/zinc/10/32/26/1373103226.db2.gz CGWZHRRLGLQKIP-OAHLLOKOSA-N 0 0 346.770 3.177 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3)n2)c1C ZINC001127240266 1373107413 /nfs/dbraw/zinc/10/74/13/1373107413.db2.gz WRMFHSUBCPAWQF-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001127270778 1373110189 /nfs/dbraw/zinc/11/01/89/1373110189.db2.gz AGASFIVNPOAAKY-UHFFFAOYSA-N 0 0 328.324 3.217 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001127272395 1373110974 /nfs/dbraw/zinc/11/09/74/1373110974.db2.gz NODCKQDHDRMVIW-WBVHZDCISA-N 0 0 345.326 3.430 10 5 EGBERN Cc1ncc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)s1 ZINC001127324960 1373115464 /nfs/dbraw/zinc/11/54/64/1373115464.db2.gz KSGLOUBRYIUDFT-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN COc1ccc(NC(=O)COCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001127386721 1373122050 /nfs/dbraw/zinc/12/20/50/1373122050.db2.gz TVACIEUSRQJDNQ-UHFFFAOYSA-N 0 0 330.340 3.067 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001127390961 1373122948 /nfs/dbraw/zinc/12/29/48/1373122948.db2.gz UCGZSDJYBTYFQM-LBPRGKRZSA-N 0 0 341.245 3.154 10 5 EGBERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001127430734 1373126620 /nfs/dbraw/zinc/12/66/20/1373126620.db2.gz CDFFIPRFKQELJU-VBNZEHGJSA-N 0 0 346.427 3.192 10 5 EGBERN CC[C@H](C)c1ccc(COC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001127555765 1373138575 /nfs/dbraw/zinc/13/85/75/1373138575.db2.gz TWMXTIYANNVYEL-LBPRGKRZSA-N 0 0 331.372 3.357 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2scnc2c1 ZINC001127642582 1373152252 /nfs/dbraw/zinc/15/22/52/1373152252.db2.gz OSJBCIVSEJCPSY-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN O=C(c1cc(Cl)ncc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127660237 1373155324 /nfs/dbraw/zinc/15/53/24/1373155324.db2.gz HQCWLULPEWKNBQ-UHFFFAOYSA-N 0 0 335.722 3.375 10 5 EGBERN CC1(C)CC[C@H](CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)OC1 ZINC001127748515 1373173113 /nfs/dbraw/zinc/17/31/13/1373173113.db2.gz PZHADFOVYYUVJW-CYBMUJFWSA-N 0 0 332.400 3.469 10 5 EGBERN CC[C@H](C)N(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H](C)CC ZINC001127769278 1373177456 /nfs/dbraw/zinc/17/74/56/1373177456.db2.gz YAOWWBILPXOKLA-STQMWFEESA-N 0 0 345.403 3.215 10 5 EGBERN COC1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001127830739 1373188462 /nfs/dbraw/zinc/18/84/62/1373188462.db2.gz KBUNYTYSPRBGSR-UHFFFAOYSA-N 0 0 338.379 3.367 10 5 EGBERN C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC001127864681 1373191702 /nfs/dbraw/zinc/19/17/02/1373191702.db2.gz DRNWNRCVXOMOBQ-RYUDHWBXSA-N 0 0 329.356 3.429 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC001127914986 1373199210 /nfs/dbraw/zinc/19/92/10/1373199210.db2.gz PQINLJWBHSKOCK-GXFFZTMASA-N 0 0 335.356 3.359 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC001127913629 1373199336 /nfs/dbraw/zinc/19/93/36/1373199336.db2.gz QKRNOKIGHBFYSO-LBPRGKRZSA-N 0 0 348.305 3.353 10 5 EGBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001127924342 1373200069 /nfs/dbraw/zinc/20/00/69/1373200069.db2.gz BAXVNODBOXAGOR-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CCn1cc(OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC001127937301 1373202226 /nfs/dbraw/zinc/20/22/26/1373202226.db2.gz ISMASDCMLCEQFD-UHFFFAOYSA-N 0 0 329.234 3.049 10 5 EGBERN C/C(=C/c1ccncc1)C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001128002713 1373208069 /nfs/dbraw/zinc/20/80/69/1373208069.db2.gz OHQJRRGZTOHIDF-RAXLEYEMSA-N 0 0 341.367 3.203 10 5 EGBERN CN(C(=O)c1cc(C(F)F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC001128350652 1373256244 /nfs/dbraw/zinc/25/62/44/1373256244.db2.gz HKABUJZMEAJWCN-UHFFFAOYSA-N 0 0 325.246 3.343 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(Cl)ncc1F ZINC001128409362 1373263584 /nfs/dbraw/zinc/26/35/84/1373263584.db2.gz DSBYGUROMLCYCE-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC001128472868 1373273506 /nfs/dbraw/zinc/27/35/06/1373273506.db2.gz ZQYOFEOBAALDGI-ILXRZTDVSA-N 0 0 333.432 3.220 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)NCCc1ccccc1[N+](=O)[O-])CO2 ZINC001128527982 1373283367 /nfs/dbraw/zinc/28/33/67/1373283367.db2.gz UGGACEFXQCQHDV-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCc2cccc(Cl)c2)n1 ZINC001128543558 1373286769 /nfs/dbraw/zinc/28/67/69/1373286769.db2.gz RALKBUHJAXXVHX-UHFFFAOYSA-N 0 0 333.775 3.314 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC001128547221 1373287733 /nfs/dbraw/zinc/28/77/33/1373287733.db2.gz JZDHCYPEBPNYHQ-UHFFFAOYSA-N 0 0 347.321 3.142 10 5 EGBERN O=C(NCCOc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001129054852 1373340756 /nfs/dbraw/zinc/34/07/56/1373340756.db2.gz LTVQGQALIOWBCO-UHFFFAOYSA-N 0 0 338.722 3.196 10 5 EGBERN Cc1csc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001129060676 1373341391 /nfs/dbraw/zinc/34/13/91/1373341391.db2.gz ALKHUTYKJQKETH-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OC ZINC001129069547 1373342320 /nfs/dbraw/zinc/34/23/20/1373342320.db2.gz VMHAJERKDBQUBV-TVQRCGJNSA-N 0 0 348.321 3.405 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001129134450 1373350573 /nfs/dbraw/zinc/35/05/73/1373350573.db2.gz ARESWHPQHFDHGQ-VURMDHGXSA-N 0 0 345.307 3.039 10 5 EGBERN CC[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129192839 1373358954 /nfs/dbraw/zinc/35/89/54/1373358954.db2.gz FZHLGKNKGSVHPV-IIYDPXPESA-N 0 0 345.399 3.030 10 5 EGBERN CC(=O)c1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC001129216451 1373362289 /nfs/dbraw/zinc/36/22/89/1373362289.db2.gz QVUVXFALACJZNF-UHFFFAOYSA-N 0 0 333.369 3.052 10 5 EGBERN C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001129498142 1373391089 /nfs/dbraw/zinc/39/10/89/1373391089.db2.gz GJHAWAAHZSCLST-DIFFPNOSSA-N 0 0 334.372 3.065 10 5 EGBERN O=C(Nc1ccn2ccnc2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001129593531 1373400294 /nfs/dbraw/zinc/40/02/94/1373400294.db2.gz ABEWMKKIFPMYQO-UHFFFAOYSA-N 0 0 336.351 3.303 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC001129596076 1373400944 /nfs/dbraw/zinc/40/09/44/1373400944.db2.gz YXLUEQZRFCFMIO-UHFFFAOYSA-N 0 0 345.786 3.470 10 5 EGBERN CCc1cccc(N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC001129629474 1373405158 /nfs/dbraw/zinc/40/51/58/1373405158.db2.gz OGHKHSTYICSIKJ-UHFFFAOYSA-N 0 0 328.324 3.163 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC001129722121 1373416697 /nfs/dbraw/zinc/41/66/97/1373416697.db2.gz UKAWOBWYZNDYLP-HIFRSBDPSA-N 0 0 331.416 3.217 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C)(C)c3ccc(F)cc32)n1 ZINC001130451152 1373544574 /nfs/dbraw/zinc/54/45/74/1373544574.db2.gz JRAVDWDTRNLRJL-UHFFFAOYSA-N 0 0 329.331 3.375 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cnc(C2CC2)nc1 ZINC001130761002 1373588974 /nfs/dbraw/zinc/58/89/74/1373588974.db2.gz BWDCWQBGMUMTMZ-UHFFFAOYSA-N 0 0 335.323 3.063 10 5 EGBERN O=C(COc1ccc(F)cc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130954698 1373614959 /nfs/dbraw/zinc/61/49/59/1373614959.db2.gz IRCSHIROIZNYQA-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)c(Cl)cc2[nH]1 ZINC001131314450 1373679190 /nfs/dbraw/zinc/67/91/90/1373679190.db2.gz RLUFRRBKCGMHEQ-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nsc2ccccc21 ZINC001131675384 1373757794 /nfs/dbraw/zinc/75/77/94/1373757794.db2.gz WQXJCZXVRXINDF-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN O=C(NCCc1nsc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001131675212 1373758588 /nfs/dbraw/zinc/75/85/88/1373758588.db2.gz OFKBYLQTUJRWFB-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN C[C@H](OC(=O)C1(CF)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001326797613 1388313343 /nfs/dbraw/zinc/31/33/43/1388313343.db2.gz RLMSWNDJCAAMMO-JTQLQIEISA-N 0 0 349.318 3.389 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(C)nc(Cl)c2)c1 ZINC001188628137 1388347505 /nfs/dbraw/zinc/34/75/05/1388347505.db2.gz UYNJINBSQUTJRN-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN Cc1c(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132056440 1375121816 /nfs/dbraw/zinc/12/18/16/1375121816.db2.gz PVEZIEJQWUBDDU-ZBEGNZNMSA-N 0 0 333.344 3.216 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC001132151715 1375171416 /nfs/dbraw/zinc/17/14/16/1375171416.db2.gz KJACPCJPPITLGH-IETSOEAISA-N 0 0 333.344 3.202 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cnc(C2CC2)o1 ZINC001132405582 1375357091 /nfs/dbraw/zinc/35/70/91/1375357091.db2.gz YLWJHTRNNHIZLM-UHFFFAOYSA-N 0 0 332.312 3.216 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001132473755 1375413856 /nfs/dbraw/zinc/41/38/56/1375413856.db2.gz UJAVZKVXDQSZRW-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN Cc1cc(C(C)(C)C)c(C)cc1OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001132663565 1375503713 /nfs/dbraw/zinc/50/37/13/1375503713.db2.gz DUWVCSMABCFCSN-UHFFFAOYSA-N 0 0 331.372 3.311 10 5 EGBERN C[C@@H](NC(=O)c1ncnc2ccsc21)c1ccccc1[N+](=O)[O-] ZINC001133119878 1375786500 /nfs/dbraw/zinc/78/65/00/1375786500.db2.gz IQOXIJFCMPZCLV-SECBINFHSA-N 0 0 328.353 3.091 10 5 EGBERN Cn1c2ccccc2nc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001133260246 1375876181 /nfs/dbraw/zinc/87/61/81/1375876181.db2.gz YVDNMSXFQAKDHG-KBPBESRZSA-N 0 0 336.351 3.224 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2ccc3c(c2)NC(=O)C3)cc1[N+](=O)[O-] ZINC001133390259 1375974955 /nfs/dbraw/zinc/97/49/55/1375974955.db2.gz KOFIATPLODNZRY-UHFFFAOYSA-N 0 0 345.742 3.304 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC001133547244 1376077415 /nfs/dbraw/zinc/07/74/15/1376077415.db2.gz MLQOLBBNJMSFHT-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN CCn1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001133728731 1376180847 /nfs/dbraw/zinc/18/08/47/1376180847.db2.gz ABZBIFNPTDXJKC-UHFFFAOYSA-N 0 0 326.715 3.164 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nnc(Cn2cnc(Cl)c2Cl)o1 ZINC001189033937 1388442701 /nfs/dbraw/zinc/44/27/01/1388442701.db2.gz GDEZQZIBRDQUSO-UHFFFAOYSA-N 0 0 340.126 3.196 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001135118499 1376912239 /nfs/dbraw/zinc/91/22/39/1376912239.db2.gz JJNCISOYIUHWLO-MHORFTMASA-N 0 0 344.411 3.258 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)CCO1 ZINC001135200565 1376971630 /nfs/dbraw/zinc/97/16/30/1376971630.db2.gz NBEUZJUYOHKSHJ-NXEZZACHSA-N 0 0 346.305 3.253 10 5 EGBERN CCc1nnsc1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001135226745 1376987856 /nfs/dbraw/zinc/98/78/56/1376987856.db2.gz XCPIKCWSOKMBPW-UHFFFAOYSA-N 0 0 328.353 3.414 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1 ZINC001135481596 1377113821 /nfs/dbraw/zinc/11/38/21/1377113821.db2.gz DPVDJCQQUUWSNO-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001264869936 1377144714 /nfs/dbraw/zinc/14/47/14/1377144714.db2.gz AQWPBVJKWKSMDL-UONOGXRCSA-N 0 0 336.436 3.068 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC001135990715 1377289160 /nfs/dbraw/zinc/28/91/60/1377289160.db2.gz NREUVUUDBAVFGS-UHFFFAOYSA-N 0 0 348.746 3.041 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC001136401095 1377389447 /nfs/dbraw/zinc/38/94/47/1377389447.db2.gz ICGMAOYJNUFSLJ-AWEZNQCLSA-N 0 0 347.758 3.084 10 5 EGBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1nccc(Cl)c1Cl ZINC001189255525 1388498728 /nfs/dbraw/zinc/49/87/28/1388498728.db2.gz FBYVTUMECMLHER-UHFFFAOYSA-N 0 0 340.122 3.253 10 5 EGBERN Nc1c(C(=O)NC2(c3ccccc3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001136547607 1377403750 /nfs/dbraw/zinc/40/37/50/1377403750.db2.gz CNEKJIOZZKLORJ-UHFFFAOYSA-N 0 0 349.749 3.389 10 5 EGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1ccccc1Cl ZINC001137035189 1377462373 /nfs/dbraw/zinc/46/23/73/1377462373.db2.gz MVOUWACTWODDHZ-SNVBAGLBSA-N 0 0 349.774 3.028 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)o1 ZINC001137037019 1377463005 /nfs/dbraw/zinc/46/30/05/1377463005.db2.gz MFPARYYAFNXSOA-MFKMUULPSA-N 0 0 344.371 3.087 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001137045128 1377464861 /nfs/dbraw/zinc/46/48/61/1377464861.db2.gz WLNXMNMKQBTVIK-NSHDSACASA-N 0 0 330.388 3.415 10 5 EGBERN O=C(c1ccnc(Cl)c1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001137107165 1377479945 /nfs/dbraw/zinc/47/99/45/1377479945.db2.gz HQDHMCFILXSEIR-UHFFFAOYSA-N 0 0 338.150 3.453 10 5 EGBERN Nc1ncc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1[N+](=O)[O-] ZINC001137207391 1377496618 /nfs/dbraw/zinc/49/66/18/1377496618.db2.gz KTORBGMJRSEXCH-UHFFFAOYSA-N 0 0 338.367 3.044 10 5 EGBERN CCC1(CC)[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001137707351 1377600746 /nfs/dbraw/zinc/60/07/46/1377600746.db2.gz LDIXWCHWAUFIFK-CVEARBPZSA-N 0 0 349.431 3.059 10 5 EGBERN CCCn1ncc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1C ZINC001137927903 1377646302 /nfs/dbraw/zinc/64/63/02/1377646302.db2.gz WYNZMEFHHDMHHF-INIZCTEOSA-N 0 0 330.388 3.391 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3cccc(O)c3C2)cc1Cl ZINC001138226279 1377691058 /nfs/dbraw/zinc/69/10/58/1377691058.db2.gz VMEGQMMOVLVAGJ-NSHDSACASA-N 0 0 346.770 3.159 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001139658846 1377927091 /nfs/dbraw/zinc/92/70/91/1377927091.db2.gz VVHBPOGMOABKLO-WCQYABFASA-N 0 0 349.749 3.255 10 5 EGBERN Cc1cc(Cl)cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1N ZINC001139677455 1377932164 /nfs/dbraw/zinc/93/21/64/1377932164.db2.gz OKDKBZWOPJVRLI-UHFFFAOYSA-N 0 0 333.775 3.111 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC001273265691 1378093281 /nfs/dbraw/zinc/09/32/81/1378093281.db2.gz KEMYXLBJCOVXDF-CQSZACIVSA-N 0 0 348.786 3.236 10 5 EGBERN COc1cc(C(=O)Nc2ccccc2OCCF)ccc1[N+](=O)[O-] ZINC001273650922 1378107515 /nfs/dbraw/zinc/10/75/15/1378107515.db2.gz KHESTIZEQPTPJE-UHFFFAOYSA-N 0 0 334.303 3.204 10 5 EGBERN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001141300084 1378296130 /nfs/dbraw/zinc/29/61/30/1378296130.db2.gz UACMDKHZZSEJGB-LBPRGKRZSA-N 0 0 340.788 3.115 10 5 EGBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1Cl ZINC001141671048 1378360652 /nfs/dbraw/zinc/36/06/52/1378360652.db2.gz KGKHHUDOADEWHE-UHFFFAOYSA-N 0 0 332.703 3.082 10 5 EGBERN CC(C)COc1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141768116 1378372827 /nfs/dbraw/zinc/37/28/27/1378372827.db2.gz XVHHNBIRLFNVRJ-UHFFFAOYSA-N 0 0 329.356 3.464 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]1CCc1ccccc1 ZINC001141882732 1378389191 /nfs/dbraw/zinc/38/91/91/1378389191.db2.gz YAXVKPKDJIWIHB-LBPRGKRZSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1ccc(CN(CC(C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)c(C)c1 ZINC001142878202 1378501267 /nfs/dbraw/zinc/50/12/67/1378501267.db2.gz IUONCGIPUOYZOY-UHFFFAOYSA-N 0 0 330.388 3.233 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC001143093422 1378538480 /nfs/dbraw/zinc/53/84/80/1378538480.db2.gz UNCUCHCJUMBEAF-LBPRGKRZSA-N 0 0 329.356 3.180 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C ZINC001143787906 1378646019 /nfs/dbraw/zinc/64/60/19/1378646019.db2.gz SFHFUVAMTAQMEQ-UHFFFAOYSA-N 0 0 329.143 3.494 10 5 EGBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327576728 1388562131 /nfs/dbraw/zinc/56/21/31/1388562131.db2.gz GXTQUQSOGDVUPJ-FXAINCCUSA-N 0 0 329.274 3.459 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@]4(C3)CCCOC4)c2c1 ZINC001327702958 1388587730 /nfs/dbraw/zinc/58/77/30/1388587730.db2.gz OVRQSWDMCZXUMW-MRXNPFEDSA-N 0 0 348.790 3.198 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001148416469 1379168561 /nfs/dbraw/zinc/16/85/61/1379168561.db2.gz XNAAKTLMBBGDLS-MNOVXSKESA-N 0 0 328.340 3.044 10 5 EGBERN CO[C@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001327968587 1388635226 /nfs/dbraw/zinc/63/52/26/1388635226.db2.gz WOYTWMNBCKSLDH-ZUZCIYMTSA-N 0 0 325.336 3.196 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001154570747 1380307915 /nfs/dbraw/zinc/30/79/15/1380307915.db2.gz IXHGPSSPJPYMLH-SNVBAGLBSA-N 0 0 347.321 3.085 10 5 EGBERN Cc1csc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001154845001 1380363439 /nfs/dbraw/zinc/36/34/39/1380363439.db2.gz IBOIJUVILORIJA-UHFFFAOYSA-N 0 0 344.396 3.204 10 5 EGBERN CC[C@H](C)[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154844825 1380363593 /nfs/dbraw/zinc/36/35/93/1380363593.db2.gz BFVMCEBEBNRJPH-NWDGAFQWSA-N 0 0 332.404 3.202 10 5 EGBERN Cc1cccnc1CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001157811707 1381040762 /nfs/dbraw/zinc/04/07/62/1381040762.db2.gz OXSJVEPCIQBKHP-UHFFFAOYSA-N 0 0 338.367 3.142 10 5 EGBERN C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001158173928 1381148071 /nfs/dbraw/zinc/14/80/71/1381148071.db2.gz VHQCEBUCPBAHKS-MRVPVSSYSA-N 0 0 346.343 3.230 10 5 EGBERN O=C(NCc1cccc(F)c1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001287414846 1381199142 /nfs/dbraw/zinc/19/91/42/1381199142.db2.gz SIMVCEBLCHFGRL-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c(F)c1 ZINC001287795963 1381377800 /nfs/dbraw/zinc/37/78/00/1381377800.db2.gz CQLUFEHPJQDNSO-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC001287962359 1381450013 /nfs/dbraw/zinc/45/00/13/1381450013.db2.gz QLOMNANMAWBPQZ-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CN1CCCCCCC1=O ZINC001287975603 1381459363 /nfs/dbraw/zinc/45/93/63/1381459363.db2.gz XVFBTVXKGAOAAH-UHFFFAOYSA-N 0 0 348.399 3.048 10 5 EGBERN Cc1cc2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2[nH]c1=O ZINC001159146070 1381664009 /nfs/dbraw/zinc/66/40/09/1381664009.db2.gz NWMLILSTPJRHCF-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(C2CC2)cnc1Cl ZINC001288215948 1381731063 /nfs/dbraw/zinc/73/10/63/1381731063.db2.gz KWEVWAWPBXFHNK-UHFFFAOYSA-N 0 0 348.746 3.177 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC001288215667 1381731071 /nfs/dbraw/zinc/73/10/71/1381731071.db2.gz DGVHWDXUSQETSD-QWRGUYRKSA-N 0 0 333.369 3.111 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2ccccc2[C@H]1c1ccccc1 ZINC001159578470 1381835784 /nfs/dbraw/zinc/83/57/84/1381835784.db2.gz YUSJJOGYINHIHE-QGZVFWFLSA-N 0 0 348.362 3.106 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccc3occc(=O)c3c2)c1[N+](=O)[O-] ZINC001289866094 1382014424 /nfs/dbraw/zinc/01/44/24/1382014424.db2.gz GOLZVTXETLJIIR-UHFFFAOYSA-N 0 0 342.282 3.401 10 5 EGBERN O=C(NCCCOc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001290359513 1382085153 /nfs/dbraw/zinc/08/51/53/1382085153.db2.gz UHNMGICEQNWAMC-UHFFFAOYSA-N 0 0 334.759 3.447 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC1(C)CC1 ZINC001290740800 1382106864 /nfs/dbraw/zinc/10/68/64/1382106864.db2.gz UPDRQCACWIGVAH-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001160558227 1382140792 /nfs/dbraw/zinc/14/07/92/1382140792.db2.gz YPVVEEMRRYNJSF-SNVBAGLBSA-N 0 0 344.371 3.094 10 5 EGBERN Cc1c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]c1C(F)(F)F ZINC001292247137 1382176768 /nfs/dbraw/zinc/17/67/68/1382176768.db2.gz GGXUSLGZSMIBGG-UHFFFAOYSA-N 0 0 332.213 3.037 10 5 EGBERN C[C@H](c1cccnc1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001292409138 1382190824 /nfs/dbraw/zinc/19/08/24/1382190824.db2.gz NRZRMPUOCVQCMW-LLVKDONJSA-N 0 0 333.775 3.405 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnccc1Nc1ccccc1 ZINC001293539307 1382297435 /nfs/dbraw/zinc/29/74/35/1382297435.db2.gz BEIOPVHFPSHWGA-UHFFFAOYSA-N 0 0 348.362 3.085 10 5 EGBERN Cc1c2ccccc2[nH]c(=O)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293539296 1382297623 /nfs/dbraw/zinc/29/76/23/1382297623.db2.gz BABGMSDYJQUQIH-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)o1 ZINC001161572852 1382442615 /nfs/dbraw/zinc/44/26/15/1382442615.db2.gz GBWUUFLRNBHWGI-UHFFFAOYSA-N 0 0 340.295 3.033 10 5 EGBERN Cc1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc12 ZINC001161916359 1382550746 /nfs/dbraw/zinc/55/07/46/1382550746.db2.gz QOLIHEOGTHBELL-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1cc2ccccc2[nH]1 ZINC001295253885 1382587048 /nfs/dbraw/zinc/58/70/48/1382587048.db2.gz KJYMHPGKCMJIJT-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN COc1ccc(NC(=O)Cc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC001295475646 1382652044 /nfs/dbraw/zinc/65/20/44/1382652044.db2.gz UJGSLFULBHXPTM-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001295537112 1382702897 /nfs/dbraw/zinc/70/28/97/1382702897.db2.gz XJURGHIPFVKOKM-XWIASGKRSA-N 0 0 337.807 3.481 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC(Cc2c(F)cccc2F)C1 ZINC001162724873 1382848245 /nfs/dbraw/zinc/84/82/45/1382848245.db2.gz KKMWMCITOVUBEO-UHFFFAOYSA-N 0 0 336.342 3.077 10 5 EGBERN COCCC1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCC1 ZINC001162725369 1382848376 /nfs/dbraw/zinc/84/83/76/1382848376.db2.gz OBMUNQUUIYADEO-UHFFFAOYSA-N 0 0 333.363 3.323 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]1c1ccsc1 ZINC001295988823 1382892764 /nfs/dbraw/zinc/89/27/64/1382892764.db2.gz YOCQZPISHPARQQ-WDEREUQCSA-N 0 0 328.353 3.275 10 5 EGBERN CCOC(=O)[C@@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001162868505 1382899783 /nfs/dbraw/zinc/89/97/83/1382899783.db2.gz SYZLWBAZNMZMEY-SNVBAGLBSA-N 0 0 346.305 3.393 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC001163001111 1382943595 /nfs/dbraw/zinc/94/35/95/1382943595.db2.gz USMPUOYTQKTWBG-GJZGRUSLSA-N 0 0 336.388 3.385 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001296349929 1382972592 /nfs/dbraw/zinc/97/25/92/1382972592.db2.gz LMVYYVRUEDYANL-UHFFFAOYSA-N 0 0 334.303 3.019 10 5 EGBERN Cc1nc(N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)ncc1[N+](=O)[O-] ZINC001163436527 1383051752 /nfs/dbraw/zinc/05/17/52/1383051752.db2.gz BWLDLSQODFBJLX-CVEARBPZSA-N 0 0 342.399 3.376 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)c2cnccn2)cc1C ZINC001163624069 1383091423 /nfs/dbraw/zinc/09/14/23/1383091423.db2.gz OIQQPOROHGRZBT-LLVKDONJSA-N 0 0 330.344 3.043 10 5 EGBERN CC(C)Nc1cccc(F)c1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001163743741 1383116978 /nfs/dbraw/zinc/11/69/78/1383116978.db2.gz JHOIIJQEJSARSC-UHFFFAOYSA-N 0 0 332.335 3.389 10 5 EGBERN NC(=O)c1cc(Oc2cnc3c(F)cccc3c2)ccc1[N+](=O)[O-] ZINC001163780160 1383121538 /nfs/dbraw/zinc/12/15/38/1383121538.db2.gz UYDVOHMBOZWRID-UHFFFAOYSA-N 0 0 327.271 3.173 10 5 EGBERN C[C@H]1CCCCN1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163967047 1383141097 /nfs/dbraw/zinc/14/10/97/1383141097.db2.gz IJGYSMNEACZKCV-NSHDSACASA-N 0 0 346.412 3.238 10 5 EGBERN CC(=O)c1ccc(NCc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])c1 ZINC001164085314 1383154605 /nfs/dbraw/zinc/15/46/05/1383154605.db2.gz KCFMLTHWBIUTOI-UHFFFAOYSA-N 0 0 327.296 3.256 10 5 EGBERN C[C@@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001164169833 1383162384 /nfs/dbraw/zinc/16/23/84/1383162384.db2.gz GPTAJGULLYUCBA-CQSZACIVSA-N 0 0 336.417 3.455 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCc3ccc(CCO)cc3)sc2c1 ZINC001164318309 1383177186 /nfs/dbraw/zinc/17/71/86/1383177186.db2.gz PGJOAHQNIOFEQB-UHFFFAOYSA-N 0 0 329.381 3.351 10 5 EGBERN Cc1nc2ccccn2c1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001164326055 1383177852 /nfs/dbraw/zinc/17/78/52/1383177852.db2.gz SMBZOSCUGCBGHQ-UHFFFAOYSA-N 0 0 334.339 3.106 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(F)cc(F)c3C2)c1 ZINC001164394516 1383184258 /nfs/dbraw/zinc/18/42/58/1383184258.db2.gz REKPJDNEDMJWKS-UHFFFAOYSA-N 0 0 348.305 3.222 10 5 EGBERN CCn1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C(C)C)n1 ZINC001297647130 1383206401 /nfs/dbraw/zinc/20/64/01/1383206401.db2.gz QLHSKMNKZFVTIG-UHFFFAOYSA-N 0 0 344.415 3.249 10 5 EGBERN CCn1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001165765449 1383342532 /nfs/dbraw/zinc/34/25/32/1383342532.db2.gz CNVWJWFNBCPINB-UHFFFAOYSA-N 0 0 332.363 3.150 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)c1ccccc1 ZINC001298374172 1383398356 /nfs/dbraw/zinc/39/83/56/1383398356.db2.gz QRGHKASCBLTLFF-OAHLLOKOSA-N 0 0 334.759 3.054 10 5 EGBERN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298757511 1383426589 /nfs/dbraw/zinc/42/65/89/1383426589.db2.gz HNTWYMDIOCEPTC-DTWKUNHWSA-N 0 0 328.800 3.258 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC001299942070 1383636610 /nfs/dbraw/zinc/63/66/10/1383636610.db2.gz ZHGGDNNJBANSQQ-UHFFFAOYSA-N 0 0 337.335 3.241 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1[N+](=O)[O-] ZINC001302608815 1383760985 /nfs/dbraw/zinc/76/09/85/1383760985.db2.gz NCKJTROBKRQZGQ-FXAWDEMLSA-N 0 0 336.391 3.424 10 5 EGBERN O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC001303034979 1383779383 /nfs/dbraw/zinc/77/93/83/1383779383.db2.gz UQBPXEJXVLVAPB-JTQLQIEISA-N 0 0 332.213 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001303277472 1383791162 /nfs/dbraw/zinc/79/11/62/1383791162.db2.gz WBLDAORPMDOQBB-JOCQHMNTSA-N 0 0 348.399 3.062 10 5 EGBERN COc1cc(Cl)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001304074279 1383827399 /nfs/dbraw/zinc/82/73/99/1383827399.db2.gz HZPHUMDAKUHOAY-UHFFFAOYSA-N 0 0 339.710 3.230 10 5 EGBERN CN1CCc2cc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])ccc21 ZINC001306863381 1383911669 /nfs/dbraw/zinc/91/16/69/1383911669.db2.gz XMZMEDQXQFWRTK-UHFFFAOYSA-N 0 0 348.362 3.388 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Sc3ncn(-c4ccccc4)n3)nc2c1 ZINC001306925809 1383921969 /nfs/dbraw/zinc/92/19/69/1383921969.db2.gz RXJFEAKZBIDBIN-UHFFFAOYSA-N 0 0 338.352 3.203 10 5 EGBERN O=[N+]([O-])c1ccccc1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001306933526 1383922787 /nfs/dbraw/zinc/92/27/87/1383922787.db2.gz MQDXHMAIIWVCFE-UHFFFAOYSA-N 0 0 342.286 3.224 10 5 EGBERN O=c1[nH]nc(Cl)cc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307081083 1383937797 /nfs/dbraw/zinc/93/77/97/1383937797.db2.gz UMDMBUHUAAQIIP-UHFFFAOYSA-N 0 0 329.143 3.052 10 5 EGBERN C[C@H](Cc1c(Cl)cccc1Cl)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001307084100 1383938503 /nfs/dbraw/zinc/93/85/03/1383938503.db2.gz PHIHPDPKDNPKEX-SSDOTTSWSA-N 0 0 342.186 3.317 10 5 EGBERN COC(=O)c1cc2ccc(Oc3ncc([N+](=O)[O-])c(C)n3)cc2o1 ZINC001307097801 1383940215 /nfs/dbraw/zinc/94/02/15/1383940215.db2.gz DEQRARZTHPUZRL-UHFFFAOYSA-N 0 0 329.268 3.018 10 5 EGBERN CCNC(=O)C1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC001307108912 1383941481 /nfs/dbraw/zinc/94/14/81/1383941481.db2.gz CHVUHQQDLLKVLV-UHFFFAOYSA-N 0 0 345.321 3.332 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC001307113707 1383942257 /nfs/dbraw/zinc/94/22/57/1383942257.db2.gz PGOZGANMLUBEKN-GFCCVEGCSA-N 0 0 329.690 3.067 10 5 EGBERN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001307142772 1383944979 /nfs/dbraw/zinc/94/49/79/1383944979.db2.gz WYZSFSCSPGZODB-CQSZACIVSA-N 0 0 329.375 3.445 10 5 EGBERN O=C1O[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001307150996 1383946289 /nfs/dbraw/zinc/94/62/89/1383946289.db2.gz GWZZVRJOZPNGEH-JTQLQIEISA-N 0 0 345.277 3.009 10 5 EGBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001307204143 1383956119 /nfs/dbraw/zinc/95/61/19/1383956119.db2.gz OIJYMUAAROOEDS-KPZWWZAWSA-N 0 0 346.383 3.454 10 5 EGBERN O=c1[nH]ccc(N[C@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001307225842 1383960442 /nfs/dbraw/zinc/96/04/42/1383960442.db2.gz OGXLJIJCQFEXTR-MRXNPFEDSA-N 0 0 336.351 3.486 10 5 EGBERN CCc1nn(C)c(N[C@@H]2CCCc3c(cccc3OC)C2)c1[N+](=O)[O-] ZINC001307232151 1383961738 /nfs/dbraw/zinc/96/17/38/1383961738.db2.gz XNXRYYLKUFCCTH-CYBMUJFWSA-N 0 0 344.415 3.259 10 5 EGBERN COC(=O)c1ccc(OC)c(COc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001307272734 1383965618 /nfs/dbraw/zinc/96/56/18/1383965618.db2.gz VCWAYPNOUCWNEC-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1CC2(CO1)CCCCC2 ZINC001307340791 1383973563 /nfs/dbraw/zinc/97/35/63/1383973563.db2.gz DOQMDZPGMHENJB-NSHDSACASA-N 0 0 349.412 3.106 10 5 EGBERN COC(=O)c1csc(COc2cc(F)c([N+](=O)[O-])cc2Cl)n1 ZINC001307341296 1383974307 /nfs/dbraw/zinc/97/43/07/1383974307.db2.gz BJMSRDLGDPDSGU-UHFFFAOYSA-N 0 0 346.723 3.209 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1OCc1cccc3ncccc13)OCCO2 ZINC001307407599 1383984507 /nfs/dbraw/zinc/98/45/07/1383984507.db2.gz OQZLQOYGDGFSKP-UHFFFAOYSA-N 0 0 338.319 3.493 10 5 EGBERN CC[C@@]1(C)COCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001307645425 1384006795 /nfs/dbraw/zinc/00/67/95/1384006795.db2.gz MAIHORQWIQJZAX-AWEZNQCLSA-N 0 0 343.221 3.358 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@H](C)CO1 ZINC001307897800 1384052836 /nfs/dbraw/zinc/05/28/36/1384052836.db2.gz PHVMFVZDAULVRW-ZWNOBZJWSA-N 0 0 343.221 3.357 10 5 EGBERN CCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC001312361711 1384343062 /nfs/dbraw/zinc/34/30/62/1384343062.db2.gz DAVWGMWOTVNHQU-HNNXBMFYSA-N 0 0 335.404 3.371 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC1(C)C ZINC001312890760 1384377826 /nfs/dbraw/zinc/37/78/26/1384377826.db2.gz FLJRPCIBOLTANS-HZPDHXFCSA-N 0 0 331.416 3.487 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS1 ZINC001313560310 1384426434 /nfs/dbraw/zinc/42/64/34/1384426434.db2.gz DZGKNJSDRJYNDA-CQSZACIVSA-N 0 0 347.444 3.205 10 5 EGBERN CN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1 ZINC001314787110 1384445212 /nfs/dbraw/zinc/44/52/12/1384445212.db2.gz DAXXRVUHFDQQOU-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN O=C(NCc1ccc2cccnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001171227169 1384473768 /nfs/dbraw/zinc/47/37/68/1384473768.db2.gz LNAZJBJLDKBBMJ-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN CCCc1n[nH]c(C(=O)NCc2ccc(C(C)(C)C)o2)c1[N+](=O)[O-] ZINC001171694893 1384604838 /nfs/dbraw/zinc/60/48/38/1384604838.db2.gz NVSSTRHRKCXUOH-UHFFFAOYSA-N 0 0 334.376 3.091 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001171791502 1384638507 /nfs/dbraw/zinc/63/85/07/1384638507.db2.gz MJWNNUPTQFYJIQ-BXUZGUMPSA-N 0 0 338.379 3.429 10 5 EGBERN CC(=O)Nc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC001171891678 1384672397 /nfs/dbraw/zinc/67/23/97/1384672397.db2.gz YJVRJDZTDRNITI-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001175523590 1385320238 /nfs/dbraw/zinc/32/02/38/1385320238.db2.gz TUUUCUNCPTWYKH-OAHLLOKOSA-N 0 0 330.315 3.125 10 5 EGBERN Cc1cc(N2C[C@H]3CCC[C@@H](C2)C3O)c2cccc([N+](=O)[O-])c2n1 ZINC001319840203 1386328577 /nfs/dbraw/zinc/32/85/77/1386328577.db2.gz VQTUQGNROISGON-NCNPBXTDSA-N 0 0 327.384 3.049 10 5 EGBERN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC001178948509 1386358331 /nfs/dbraw/zinc/35/83/31/1386358331.db2.gz PGAOXMVUZRMNFZ-ZBFHGGJFSA-N 0 0 346.770 3.026 10 5 EGBERN CC(C)c1cncc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC001179684630 1386552908 /nfs/dbraw/zinc/55/29/08/1386552908.db2.gz KOJLVOYAHPQTIO-UHFFFAOYSA-N 0 0 343.368 3.370 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(C)(C)O)c1 ZINC001321123014 1386816261 /nfs/dbraw/zinc/81/62/61/1386816261.db2.gz JUKVHPFIZNCHLG-UHFFFAOYSA-N 0 0 329.356 3.116 10 5 EGBERN CC(C)(CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC001321404950 1386894991 /nfs/dbraw/zinc/89/49/91/1386894991.db2.gz CWQQSHLDSYCRLV-UHFFFAOYSA-N 0 0 331.294 3.209 10 5 EGBERN Cc1nc(CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC001322400883 1387179670 /nfs/dbraw/zinc/17/96/70/1387179670.db2.gz VBJTXWOQOWODOL-NSHDSACASA-N 0 0 333.413 3.396 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1-c1nnc(Cc3ccsc3)o1)OCCO2 ZINC001322548936 1387204064 /nfs/dbraw/zinc/20/40/64/1387204064.db2.gz YNLQCLOQNHIKLG-UHFFFAOYSA-N 0 0 345.336 3.068 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001329402271 1389097933 /nfs/dbraw/zinc/09/79/33/1389097933.db2.gz TUNDPHOPUYACEA-UHFFFAOYSA-N 0 0 330.718 3.474 10 5 EGBERN CO[C@H](COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001329431288 1389109688 /nfs/dbraw/zinc/10/96/88/1389109688.db2.gz ZMRCNJHBUQKEKQ-CYBMUJFWSA-N 0 0 329.299 3.045 10 5 EGBERN O=C(OCCOC(F)(F)F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001329573504 1389161351 /nfs/dbraw/zinc/16/13/51/1389161351.db2.gz JQTIONHLRVNKAP-UHFFFAOYSA-N 0 0 347.167 3.307 10 5 EGBERN O=C(c1cccc2c1COCC2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001329640882 1389196480 /nfs/dbraw/zinc/19/64/80/1389196480.db2.gz CRXRYBPHHVBADV-UHFFFAOYSA-N 0 0 338.363 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1F ZINC001329653465 1389197658 /nfs/dbraw/zinc/19/76/58/1389197658.db2.gz DQMFCEJRUHUANQ-FXAINCCUSA-N 0 0 328.290 3.206 10 5 EGBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)OCc1csc([N+](=O)[O-])c1 ZINC001330281747 1389377115 /nfs/dbraw/zinc/37/71/15/1389377115.db2.gz WJWNACSWAPVIOD-SECBINFHSA-N 0 0 349.290 3.090 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccsc2[C@@H]1C ZINC001331973689 1389930312 /nfs/dbraw/zinc/93/03/12/1389930312.db2.gz DQSUHHAGPACCLU-JTQLQIEISA-N 0 0 332.381 3.424 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001334605233 1390561966 /nfs/dbraw/zinc/56/19/66/1390561966.db2.gz CNERUVBXOKROAY-IRXDYDNUSA-N 0 0 346.358 3.222 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001344340352 1390784676 /nfs/dbraw/zinc/78/46/76/1390784676.db2.gz AGBBTVJUDCVEKI-RDJZCZTQSA-N 0 0 349.383 3.162 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001344620327 1390803954 /nfs/dbraw/zinc/80/39/54/1390803954.db2.gz JZBFHWUIAURPPU-GXFFZTMASA-N 0 0 339.779 3.281 10 5 EGBERN CC[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345465573 1390861046 /nfs/dbraw/zinc/86/10/46/1390861046.db2.gz JGTDSHOUCXLMTN-MLGOLLRUSA-N 0 0 343.383 3.373 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001345744648 1390882640 /nfs/dbraw/zinc/88/26/40/1390882640.db2.gz AXLKZPDXUGJSLK-NXEZZACHSA-N 0 0 325.390 3.009 10 5 EGBERN O=C(OC[C@@H]1CCc2cccnc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001346570407 1390955402 /nfs/dbraw/zinc/95/54/02/1390955402.db2.gz REQIOUZORVLLCE-BHYGNILZSA-N 0 0 338.363 3.367 10 5 EGBERN O=C(C[C@H]1CCC(F)(F)C1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001346706389 1390971959 /nfs/dbraw/zinc/97/19/59/1390971959.db2.gz JCGKUBMZLHNEBD-SECBINFHSA-N 0 0 343.282 3.097 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCn2c(C)cnc21 ZINC001347238270 1391036474 /nfs/dbraw/zinc/03/64/74/1391036474.db2.gz XYKFKOYKTBGGBF-LBPRGKRZSA-N 0 0 333.369 3.123 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001347323959 1391054755 /nfs/dbraw/zinc/05/47/55/1391054755.db2.gz UWRQEYATPPESKE-IEBDPFPHSA-N 0 0 341.314 3.159 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001347431160 1391074479 /nfs/dbraw/zinc/07/44/79/1391074479.db2.gz VGWRAUJNYIXTNJ-JTQLQIEISA-N 0 0 342.804 3.481 10 5 EGBERN C[C@@H](C(=O)N[C@H]1CCOCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348112657 1391174667 /nfs/dbraw/zinc/17/46/67/1391174667.db2.gz COBWMLLPSRMKRM-CJNGLKHVSA-N 0 0 332.400 3.164 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnc2ccccc2c1O ZINC001348438883 1391219971 /nfs/dbraw/zinc/21/99/71/1391219971.db2.gz OMIZLCUWDCBFFC-UHFFFAOYSA-N 0 0 343.726 3.342 10 5 EGBERN COCC1(C2CC2)CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001348549131 1391236239 /nfs/dbraw/zinc/23/62/39/1391236239.db2.gz ZUBOBTSQSZUXQO-UHFFFAOYSA-N 0 0 348.790 3.054 10 5 EGBERN O=C(c1ccc2c(c1)CCCN2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001349118131 1391303837 /nfs/dbraw/zinc/30/38/37/1391303837.db2.gz DZHHBELYJBXJHQ-UHFFFAOYSA-N 0 0 337.379 3.151 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC001349861661 1391376980 /nfs/dbraw/zinc/37/69/80/1391376980.db2.gz UVIWJKPHZWWVNQ-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CNC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001349900590 1391383074 /nfs/dbraw/zinc/38/30/74/1391383074.db2.gz XGODOTAJFISNMN-UHFFFAOYSA-N 0 0 342.355 3.215 10 5 EGBERN Cc1ccccc1OC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001351190686 1391609302 /nfs/dbraw/zinc/60/93/02/1391609302.db2.gz CKAYRHPHUVAGDY-UHFFFAOYSA-N 0 0 337.335 3.367 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC001351898285 1391713523 /nfs/dbraw/zinc/71/35/23/1391713523.db2.gz OHGCNHCIIRUIQG-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)ccc2n1 ZINC001351974614 1391733459 /nfs/dbraw/zinc/73/34/59/1391733459.db2.gz USTFPLRPXZBBQV-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN CCCOc1cc(NC(=O)[C@@H]2C[C@@H]2F)c([N+](=O)[O-])cc1OCCC ZINC001352559827 1391813707 /nfs/dbraw/zinc/81/37/07/1391813707.db2.gz HYFPBSBXRXMYRL-MNOVXSKESA-N 0 0 340.351 3.469 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001352627825 1391826455 /nfs/dbraw/zinc/82/64/55/1391826455.db2.gz XFAZVGITNMGWAS-UHFFFAOYSA-N 0 0 347.758 3.483 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1scnc1C(F)F ZINC001352704947 1391834801 /nfs/dbraw/zinc/83/48/01/1391834801.db2.gz WMQOWGJPKCHMDA-UHFFFAOYSA-N 0 0 329.284 3.250 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ncc2ccccn21 ZINC001352930407 1391884314 /nfs/dbraw/zinc/88/43/14/1391884314.db2.gz HNSPOQRPPNUXFK-UHFFFAOYSA-N 0 0 344.758 3.168 10 5 EGBERN COc1cccc(C(F)(F)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001353162572 1391947544 /nfs/dbraw/zinc/94/75/44/1391947544.db2.gz OQOLTWLACJIPBY-UHFFFAOYSA-N 0 0 348.305 3.285 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001353295031 1391984508 /nfs/dbraw/zinc/98/45/08/1391984508.db2.gz MFEKPXGOJCONGJ-IAGOWNOFSA-N 0 0 332.400 3.088 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354287566 1392136366 /nfs/dbraw/zinc/13/63/66/1392136366.db2.gz OEXFLAIUMLIVEN-KGLIPLIRSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc2ccccc2o1 ZINC001354367191 1392140467 /nfs/dbraw/zinc/14/04/67/1392140467.db2.gz WRNXCQSVYUCSTR-UHFFFAOYSA-N 0 0 328.299 3.339 10 5 EGBERN O=C(Nc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001354400197 1392142236 /nfs/dbraw/zinc/14/22/36/1392142236.db2.gz GIYPQEVXBBZYTL-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN O=C(c1ccc(-c2ccccn2)nc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354840103 1392172125 /nfs/dbraw/zinc/17/21/25/1392172125.db2.gz HGHRKOMUDQSQGG-UHFFFAOYSA-N 0 0 346.346 3.208 10 5 EGBERN Cc1c(OC(=O)c2c(F)cccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC001354883672 1392174887 /nfs/dbraw/zinc/17/48/87/1392174887.db2.gz QKIQZSWKJVGORY-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN COC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001354983284 1392183236 /nfs/dbraw/zinc/18/32/36/1392183236.db2.gz DZRGZCUFIFIYBB-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOc2ccccc21 ZINC001355005173 1392184934 /nfs/dbraw/zinc/18/49/34/1392184934.db2.gz REFHSXLELGHGAE-KRWDZBQOSA-N 0 0 330.315 3.413 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC2(CC2)C1 ZINC001479425240 1392241693 /nfs/dbraw/zinc/24/16/93/1392241693.db2.gz XWEZAOWAIASCBP-AWEZNQCLSA-N 0 0 332.404 3.029 10 5 EGBERN O=C(NCc1cccc2[nH]ccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001687408300 1396361039 /nfs/dbraw/zinc/36/10/39/1396361039.db2.gz SEMVUQPIRWIWBS-UHFFFAOYSA-N 0 0 336.351 3.302 10 5 EGBERN CCN(CCNC(=O)C1CC2(CCC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001714591083 1419338304 /nfs/dbraw/zinc/33/83/04/1419338304.db2.gz MOJHGWVMRDWZLK-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN C=C/C(C)=C/CC(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001715532745 1420224432 /nfs/dbraw/zinc/22/44/32/1420224432.db2.gz WSSPXKQFMPHWOQ-XNTDXEJSSA-N 0 0 331.416 3.007 10 5 EGBERN CC(C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1[C@H]1C[C@@H]1C ZINC001723168539 1424313930 /nfs/dbraw/zinc/31/39/30/1424313930.db2.gz CWFNBHOJEZSDEA-LRDDRELGSA-N 0 0 341.415 3.453 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCCC1 ZINC001728269589 1427141795 /nfs/dbraw/zinc/14/17/95/1427141795.db2.gz OXIWPLYJEZTKNA-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001730964744 1427185805 /nfs/dbraw/zinc/18/58/05/1427185805.db2.gz HETYLPPPSUKDGA-CHWSQXEVSA-N 0 0 345.403 3.287 10 5 EGBERN CN(CCCN(C)C(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001733772392 1430007433 /nfs/dbraw/zinc/00/74/33/1430007433.db2.gz QVXLYPIKYWZMCK-UHFFFAOYSA-N 0 0 337.445 3.047 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1(C2CC2)CC1 ZINC001742754001 1439522701 /nfs/dbraw/zinc/52/27/01/1439522701.db2.gz GCAVXOGYKOLFDX-UHFFFAOYSA-N 0 0 341.415 3.321 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCSC ZINC001745902994 1439829501 /nfs/dbraw/zinc/82/95/01/1439829501.db2.gz XPGFZRBVVVQFBW-UHFFFAOYSA-N 0 0 349.460 3.453 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000368384356 168349627 /nfs/dbraw/zinc/34/96/27/168349627.db2.gz VGIDTRANKPBWMU-KRWDZBQOSA-N 0 0 344.392 3.318 10 5 EGBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000053573884 214188745 /nfs/dbraw/zinc/18/87/45/214188745.db2.gz MOYRAXCRCQNSMA-LLVKDONJSA-N 0 0 335.385 3.139 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000172954096 230852504 /nfs/dbraw/zinc/85/25/04/230852504.db2.gz ABGGMXHZCNWMQD-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1c(C(=O)N(C)Cc2ccc(F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049945799 214036061 /nfs/dbraw/zinc/03/60/61/214036061.db2.gz YVFDCCXFMRPBNB-UHFFFAOYSA-N 0 0 347.302 3.223 10 5 EGBERN CC[C@H](NC(=O)N[C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000187349539 529525096 /nfs/dbraw/zinc/52/50/96/529525096.db2.gz FMGQCSFMYIPFQF-LSDHHAIUSA-N 0 0 347.371 3.062 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000174199279 529597197 /nfs/dbraw/zinc/59/71/97/529597197.db2.gz WDNJYRWGNOPVFL-INIZCTEOSA-N 0 0 342.399 3.139 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000190106032 529657519 /nfs/dbraw/zinc/65/75/19/529657519.db2.gz CSJHBAYULTZMRM-SWLSCSKDSA-N 0 0 349.431 3.103 10 5 EGBERN COc1ccc2c(c1)N(C)C(=O)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000100898331 219110996 /nfs/dbraw/zinc/11/09/96/219110996.db2.gz AISITPPKFROYAE-UHFFFAOYSA-N 0 0 325.324 3.091 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178245392 232116901 /nfs/dbraw/zinc/11/69/01/232116901.db2.gz QZEJLBBYIVQSER-NEPJUHHUSA-N 0 0 331.338 3.224 10 5 EGBERN COc1ccccc1N1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178201333 232106908 /nfs/dbraw/zinc/10/69/08/232106908.db2.gz VVAGFZDBRFRTQW-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1ccc(-n2nnnc2SCc2csc([N+](=O)[O-])c2)cc1 ZINC000047171774 213834759 /nfs/dbraw/zinc/83/47/59/213834759.db2.gz UGHBLQRQVRDBPC-UHFFFAOYSA-N 0 0 333.398 3.233 10 5 EGBERN COc1cc(OC)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178647223 232335053 /nfs/dbraw/zinc/33/50/53/232335053.db2.gz MRLMDVQOXNLGIY-GFCCVEGCSA-N 0 0 346.383 3.471 10 5 EGBERN CCc1nc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000102482976 219207280 /nfs/dbraw/zinc/20/72/80/219207280.db2.gz IKFKKEOTIANTPT-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Oc1cccnc1 ZINC000040649407 213364151 /nfs/dbraw/zinc/36/41/51/213364151.db2.gz AVGPKUPTSFUZPB-UHFFFAOYSA-N 0 0 327.275 3.455 10 5 EGBERN O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCc2ccccc21 ZINC000040585342 213354897 /nfs/dbraw/zinc/35/48/97/213354897.db2.gz GEUVPYIEVMBGKP-UHFFFAOYSA-N 0 0 348.366 3.086 10 5 EGBERN O=c1[nH]cnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] ZINC000040583305 213353898 /nfs/dbraw/zinc/35/38/98/213353898.db2.gz SWBBSSJNAJLWAL-UHFFFAOYSA-N 0 0 334.641 3.094 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccccc2)[nH]cnc1=NNc1ccccc1 ZINC000040599241 213357555 /nfs/dbraw/zinc/35/75/55/213357555.db2.gz DEWBMZOLMXIVFM-UHFFFAOYSA-N 0 0 336.355 3.436 10 5 EGBERN Cc1ccc(C)c(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040592225 213356551 /nfs/dbraw/zinc/35/65/51/213356551.db2.gz QLYALIJPVCAUAT-UHFFFAOYSA-N 0 0 330.392 3.460 10 5 EGBERN Cc1cc(Cl)ccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040590766 213354942 /nfs/dbraw/zinc/35/49/42/213354942.db2.gz BCSZJCNBJKTISQ-UHFFFAOYSA-N 0 0 330.735 3.276 10 5 EGBERN COc1ccc(OC)c(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581625 213353431 /nfs/dbraw/zinc/35/34/31/213353431.db2.gz ZKKKEKLPEOOATN-UHFFFAOYSA-N 0 0 347.375 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000040544294 213345785 /nfs/dbraw/zinc/34/57/85/213345785.db2.gz RXYNWLZOKNANAJ-UHFFFAOYSA-N 0 0 348.359 3.071 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCc2cccnc21 ZINC000356006482 283039126 /nfs/dbraw/zinc/03/91/26/283039126.db2.gz FDZBEMUGXCXJPU-CQSZACIVSA-N 0 0 328.372 3.248 10 5 EGBERN O=C(c1ccccc1)N1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC000036315203 213083308 /nfs/dbraw/zinc/08/33/08/213083308.db2.gz JTCVJXWQUFETKL-GOSISDBHSA-N 0 0 340.379 3.416 10 5 EGBERN O=C(c1cccs1)N1CCC[C@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC000036315197 213083362 /nfs/dbraw/zinc/08/33/62/213083362.db2.gz RNCDVMYZDZNDTE-HNNXBMFYSA-N 0 0 346.408 3.478 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000108740921 219917048 /nfs/dbraw/zinc/91/70/48/219917048.db2.gz AQIUAVHOKJZDBH-CYBMUJFWSA-N 0 0 326.352 3.199 10 5 EGBERN Nc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000023386932 212374225 /nfs/dbraw/zinc/37/42/25/212374225.db2.gz IGYLOUYPMNSYMG-VHSXEESVSA-N 0 0 331.294 3.028 10 5 EGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000021090700 212205788 /nfs/dbraw/zinc/20/57/88/212205788.db2.gz GHDADORXPMSELM-CQSZACIVSA-N 0 0 335.703 3.080 10 5 EGBERN Cc1sc(C(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000079206250 217201363 /nfs/dbraw/zinc/20/13/63/217201363.db2.gz PEGJDHFDPZMHEJ-UHFFFAOYSA-N 0 0 326.418 3.242 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113891560 296226604 /nfs/dbraw/zinc/22/66/04/296226604.db2.gz SEOZKLHTUXBLNS-AWEZNQCLSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1csc(C2(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCC2)n1 ZINC000265208199 247298494 /nfs/dbraw/zinc/29/84/94/247298494.db2.gz AKSHZPXOAFRPBF-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN COc1cc(C(=O)NC2(c3nc(C)cs3)CCC2)ccc1[N+](=O)[O-] ZINC000265304523 247388551 /nfs/dbraw/zinc/38/85/51/247388551.db2.gz NGIYYZXUWCSZDU-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000089312660 217786143 /nfs/dbraw/zinc/78/61/43/217786143.db2.gz NQLFJRPJLKLWJW-UHFFFAOYSA-N 0 0 330.359 3.370 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000408376481 169173086 /nfs/dbraw/zinc/17/30/86/169173086.db2.gz SNCJKDALTMIRBH-NOZJJQNGSA-N 0 0 339.189 3.372 10 5 EGBERN C[C@H]1N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC12CCOCC2 ZINC000408209337 169165897 /nfs/dbraw/zinc/16/58/97/169165897.db2.gz ZVIZIUCSYHMBFD-GFCCVEGCSA-N 0 0 343.383 3.107 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000089947860 217893218 /nfs/dbraw/zinc/89/32/18/217893218.db2.gz MAONZEFUXWJVBH-INIZCTEOSA-N 0 0 328.372 3.283 10 5 EGBERN CC[C@@H](NC(=O)NCC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000267790462 251349381 /nfs/dbraw/zinc/34/93/81/251349381.db2.gz FYRXKBGIHZQBOV-OAHLLOKOSA-N 0 0 335.404 3.162 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3ccco3)cc2N1 ZINC000116262495 296331949 /nfs/dbraw/zinc/33/19/49/296331949.db2.gz MLRREPASBVENFR-CYBMUJFWSA-N 0 0 327.340 3.414 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000266732544 285130821 /nfs/dbraw/zinc/13/08/21/285130821.db2.gz ODEXFGZVFPXTAB-SNVBAGLBSA-N 0 0 344.211 3.117 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893737 220606187 /nfs/dbraw/zinc/60/61/87/220606187.db2.gz CXTOEFJLWNNKKO-OAHLLOKOSA-N 0 0 346.412 3.164 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000154686237 224290153 /nfs/dbraw/zinc/29/01/53/224290153.db2.gz QUVGROVSJYYTOG-NSHDSACASA-N 0 0 335.385 3.031 10 5 EGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC000062581356 132805590 /nfs/dbraw/zinc/80/55/90/132805590.db2.gz VHVJGUNHJNHOFZ-CQSZACIVSA-N 0 0 340.383 3.153 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000338089736 141091672 /nfs/dbraw/zinc/09/16/72/141091672.db2.gz RUPCKNVPEFDXQL-AWEZNQCLSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000339559498 141131114 /nfs/dbraw/zinc/13/11/14/141131114.db2.gz WFGKAORFYVOIDP-YYUOZPCZSA-N 0 0 346.408 3.132 10 5 EGBERN C[C@@H](NC(=O)CCOc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000341256811 141145076 /nfs/dbraw/zinc/14/50/76/141145076.db2.gz HVCYBWMKGCRCTG-GFCCVEGCSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@@H](NC(=O)c1coc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000341260826 141145472 /nfs/dbraw/zinc/14/54/72/141145472.db2.gz MYZAYKSYJDUEGM-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN CCN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000346475140 141202836 /nfs/dbraw/zinc/20/28/36/141202836.db2.gz UDOSFTTUANDAOV-UHFFFAOYSA-N 0 0 341.367 3.247 10 5 EGBERN Cc1nnccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347938610 141221107 /nfs/dbraw/zinc/22/11/07/141221107.db2.gz VZJSNMZRIULCDG-UHFFFAOYSA-N 0 0 338.776 3.077 10 5 EGBERN CCN(CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000350684854 141260822 /nfs/dbraw/zinc/26/08/22/141260822.db2.gz LUKDOKFKVOQPRV-UHFFFAOYSA-N 0 0 339.193 3.080 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354595529 141312409 /nfs/dbraw/zinc/31/24/09/141312409.db2.gz LYVZIJVVILLUTE-UHFFFAOYSA-N 0 0 349.387 3.341 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)cs1 ZINC000357967336 141370889 /nfs/dbraw/zinc/37/08/89/141370889.db2.gz WSQWJXXWCLZTQE-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000361369093 141412130 /nfs/dbraw/zinc/41/21/30/141412130.db2.gz HUTXEQYTGOSSMN-SNVBAGLBSA-N 0 0 334.351 3.333 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(Br)c1 ZINC000048446558 142570324 /nfs/dbraw/zinc/57/03/24/142570324.db2.gz MJZLNRCIFSINFY-MRVPVSSYSA-N 0 0 338.161 3.176 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000324098769 142618093 /nfs/dbraw/zinc/61/80/93/142618093.db2.gz OJMSXXFLFYYJNJ-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN CCOc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000171554680 144006395 /nfs/dbraw/zinc/00/63/95/144006395.db2.gz FRKDFARPKOJDBV-UHFFFAOYSA-N 0 0 347.346 3.132 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000172700008 144025711 /nfs/dbraw/zinc/02/57/11/144025711.db2.gz JFHUPJXMWAUMLU-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000173002014 144033597 /nfs/dbraw/zinc/03/35/97/144033597.db2.gz CLHDWNWVOVYSIT-CYBMUJFWSA-N 0 0 343.383 3.377 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183857331 144080925 /nfs/dbraw/zinc/08/09/25/144080925.db2.gz WYNNBNXNPSIKHO-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc2c1OCC[C@H]2O ZINC000184066799 144085645 /nfs/dbraw/zinc/08/56/45/144085645.db2.gz BSPISTSTVFMRRK-MRXNPFEDSA-N 0 0 344.367 3.422 10 5 EGBERN O=C(COc1c(F)cccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000185015548 144103355 /nfs/dbraw/zinc/10/33/55/144103355.db2.gz BEWCXEPZHNSSTC-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[S@@]1=O ZINC000185222592 144107850 /nfs/dbraw/zinc/10/78/50/144107850.db2.gz UBOBXAVKCZZMKU-QFIPXVFZSA-N 0 0 344.864 3.371 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000191136884 144170709 /nfs/dbraw/zinc/17/07/09/144170709.db2.gz MPFGFULJLPMCBX-SNVBAGLBSA-N 0 0 335.385 3.168 10 5 EGBERN COc1cc(NCC[C@@H]2COc3ccccc3O2)c(F)cc1[N+](=O)[O-] ZINC000351453053 144264857 /nfs/dbraw/zinc/26/48/57/144264857.db2.gz OQHDTAVSAYRMHY-LLVKDONJSA-N 0 0 348.330 3.385 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351608491 144287560 /nfs/dbraw/zinc/28/75/60/144287560.db2.gz ICPQWIIDKFADTG-HNNXBMFYSA-N 0 0 333.319 3.243 10 5 EGBERN COc1cc(CSc2n[nH]c(-c3cccnc3)n2)ccc1[N+](=O)[O-] ZINC000351828191 144312581 /nfs/dbraw/zinc/31/25/81/144312581.db2.gz VMFFPSYQCSSTQS-UHFFFAOYSA-N 0 0 343.368 3.076 10 5 EGBERN COc1cc(CSc2nncn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000351829365 144313110 /nfs/dbraw/zinc/31/31/10/144313110.db2.gz AVDOZHNZYNMGLE-UHFFFAOYSA-N 0 0 348.306 3.050 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000363879116 144373645 /nfs/dbraw/zinc/37/36/45/144373645.db2.gz YCOZFISEORTFJQ-HNNXBMFYSA-N 0 0 325.368 3.085 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000369998443 144465027 /nfs/dbraw/zinc/46/50/27/144465027.db2.gz RQUODNOIHCADCL-HNNXBMFYSA-N 0 0 339.395 3.257 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H](CCOC)C2)cc1[N+](=O)[O-] ZINC000375126899 144572226 /nfs/dbraw/zinc/57/22/26/144572226.db2.gz QITFDUVYKFGELM-AWEZNQCLSA-N 0 0 334.416 3.436 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341086211 155149677 /nfs/dbraw/zinc/14/96/77/155149677.db2.gz MWVXTBRLRHFDPB-BPUTZDHNSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000116820717 152078021 /nfs/dbraw/zinc/07/80/21/152078021.db2.gz JGLXLRPRUDZNAP-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117669835 152111363 /nfs/dbraw/zinc/11/13/63/152111363.db2.gz PEXJFPCYTWRFPH-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000118262661 152133220 /nfs/dbraw/zinc/13/32/20/152133220.db2.gz GSUAPQOSRMVLGX-UHFFFAOYSA-N 0 0 333.369 3.200 10 5 EGBERN CCc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000173027149 152817492 /nfs/dbraw/zinc/81/74/92/152817492.db2.gz NNZJXESCSALHPH-UHFFFAOYSA-N 0 0 339.804 3.240 10 5 EGBERN CO[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000188362558 153012959 /nfs/dbraw/zinc/01/29/59/153012959.db2.gz HZEOFROSXULFBQ-WDEREUQCSA-N 0 0 326.418 3.249 10 5 EGBERN CCOc1ccc(C(=O)N(CC)c2ncccc2C)cc1[N+](=O)[O-] ZINC000341609935 155381026 /nfs/dbraw/zinc/38/10/26/155381026.db2.gz JNURWAPOBOTTIN-UHFFFAOYSA-N 0 0 329.356 3.364 10 5 EGBERN Cc1cc(NC(=O)CCOCC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000191951363 153232329 /nfs/dbraw/zinc/23/23/29/153232329.db2.gz ONLACHKQCGNVTC-UHFFFAOYSA-N 0 0 339.298 3.062 10 5 EGBERN CC(C)(C)c1csc([C@@H]2CN(c3ncccc3[N+](=O)[O-])CCO2)n1 ZINC000195314175 153394842 /nfs/dbraw/zinc/39/48/42/153394842.db2.gz JJDKRJIMURAPHV-LBPRGKRZSA-N 0 0 348.428 3.322 10 5 EGBERN O=C(COc1ccsc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000337281944 154258016 /nfs/dbraw/zinc/25/80/16/154258016.db2.gz WWPACUASKAITKH-UHFFFAOYSA-N 0 0 334.397 3.174 10 5 EGBERN CNc1c(C(=O)Nc2cc(OC)cc(OC)c2C)cccc1[N+](=O)[O-] ZINC000337525295 154397470 /nfs/dbraw/zinc/39/74/70/154397470.db2.gz BFODOURNMACOMK-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000341032792 155126707 /nfs/dbraw/zinc/12/67/07/155126707.db2.gz WNWDPQHGNUEGRB-ZDUSSCGKSA-N 0 0 348.362 3.498 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921427 155581083 /nfs/dbraw/zinc/58/10/83/155581083.db2.gz OZJHZKSBJRVTGX-ZDUSSCGKSA-N 0 0 345.399 3.497 10 5 EGBERN CC[C@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000345353421 156065926 /nfs/dbraw/zinc/06/59/26/156065926.db2.gz KMJWAWSTKQDXBY-ZDUSSCGKSA-N 0 0 341.323 3.323 10 5 EGBERN CC(C)[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000346882400 156177829 /nfs/dbraw/zinc/17/78/29/156177829.db2.gz FNAYKFZUBYICTC-ZDUSSCGKSA-N 0 0 334.294 3.067 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C[C@@H](C)c3ccccc3)no2)n1 ZINC000346950331 156211286 /nfs/dbraw/zinc/21/12/86/156211286.db2.gz ARQFEQVZINIESY-LLVKDONJSA-N 0 0 327.344 3.207 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc2c(c1)CCO2 ZINC000348934403 156293072 /nfs/dbraw/zinc/29/30/72/156293072.db2.gz FNMZYSGGGHYDAU-LBPRGKRZSA-N 0 0 338.363 3.050 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3nc(-c4ccoc4)no3)c2)c1 ZINC000349161024 156371201 /nfs/dbraw/zinc/37/12/01/156371201.db2.gz RGKWYEWTLFHOPF-UHFFFAOYSA-N 0 0 337.295 3.150 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000365243718 157101028 /nfs/dbraw/zinc/10/10/28/157101028.db2.gz CAKRDFDBPXJGLO-KRWDZBQOSA-N 0 0 348.399 3.025 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC12CCOCC2 ZINC000365474080 157137614 /nfs/dbraw/zinc/13/76/14/157137614.db2.gz UCHOLNXJRDGKCM-UHFFFAOYSA-N 0 0 325.752 3.035 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000365548373 157167566 /nfs/dbraw/zinc/16/75/66/157167566.db2.gz PJSOMEOVMBUTDQ-OAHLLOKOSA-N 0 0 348.790 3.199 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055458099 161512239 /nfs/dbraw/zinc/51/22/39/161512239.db2.gz WIGMAKKCZCDLPK-AWEZNQCLSA-N 0 0 347.758 3.205 10 5 EGBERN COCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000057273415 161530900 /nfs/dbraw/zinc/53/09/00/161530900.db2.gz AHFZWHZFTIBUEO-UHFFFAOYSA-N 0 0 336.369 3.242 10 5 EGBERN COc1ccc(OCc2noc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000078748035 161779951 /nfs/dbraw/zinc/77/99/51/161779951.db2.gz OMRZMORGVDCIOG-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN Cc1c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814124 162112820 /nfs/dbraw/zinc/11/28/20/162112820.db2.gz SKTOCVZHGQQCIC-GOSISDBHSA-N 0 0 339.395 3.141 10 5 EGBERN CNC(=O)c1cccc(CSCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000113953274 162219719 /nfs/dbraw/zinc/21/97/19/162219719.db2.gz FYNQGARNSOHBDY-UHFFFAOYSA-N 0 0 346.408 3.267 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000129264591 162351964 /nfs/dbraw/zinc/35/19/64/162351964.db2.gz VAHXGUOGVAWLLE-LRDDRELGSA-N 0 0 326.352 3.198 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(N2CC=CC2)c1 ZINC000151134276 162571356 /nfs/dbraw/zinc/57/13/56/162571356.db2.gz GMOVWYJIMOCWPO-UHFFFAOYSA-N 0 0 337.379 3.209 10 5 EGBERN CCOc1ccc(C(=O)NCCc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000151450652 162587893 /nfs/dbraw/zinc/58/78/93/162587893.db2.gz NEFXEOKKVYWWTN-UHFFFAOYSA-N 0 0 349.412 3.039 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000184420283 162838283 /nfs/dbraw/zinc/83/82/83/162838283.db2.gz YEXZDSZAYRIODM-UHFFFAOYSA-N 0 0 329.381 3.168 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC/C=C\c2ccccc2)s1 ZINC000354341425 166006273 /nfs/dbraw/zinc/00/62/73/166006273.db2.gz UFQSTTWYHUTRJX-YVMONPNESA-N 0 0 338.410 3.185 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCC[C@H]2COc3ccccc3O2)c1 ZINC000338683931 163317286 /nfs/dbraw/zinc/31/72/86/163317286.db2.gz WECXOMLIWLBFCF-ZDUSSCGKSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1C ZINC000354750866 166023220 /nfs/dbraw/zinc/02/32/20/166023220.db2.gz ANXXXUIDHIGNFI-JKSUJKDBSA-N 0 0 346.408 3.046 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000343801548 164038173 /nfs/dbraw/zinc/03/81/73/164038173.db2.gz RMGVZECPINRJQQ-GTNSWQLSSA-N 0 0 338.354 3.454 10 5 EGBERN CC(=O)Nc1cccnc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000344022375 164084699 /nfs/dbraw/zinc/08/46/99/164084699.db2.gz XAHXXNWZNJCPFM-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H]1c1ccccc1 ZINC000344174367 164120634 /nfs/dbraw/zinc/12/06/34/164120634.db2.gz FVXUFMDVAGPDQX-ZBFHGGJFSA-N 0 0 330.771 3.463 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000344193660 164123918 /nfs/dbraw/zinc/12/39/18/164123918.db2.gz ZIWICDPEZLVYRF-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1nc(CC(C)C)oc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345668655 164238517 /nfs/dbraw/zinc/23/85/17/164238517.db2.gz NGGYDIPAMSRIBD-UHFFFAOYSA-N 0 0 343.343 3.389 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000345695521 164245550 /nfs/dbraw/zinc/24/55/50/164245550.db2.gz ZDHOEZRKXIAJIR-PXAZEXFGSA-N 0 0 343.408 3.368 10 5 EGBERN CC(C)Oc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)nc1 ZINC000345731702 164253651 /nfs/dbraw/zinc/25/36/51/164253651.db2.gz SIKSSZUGCQMBGB-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NCCCCSC)cc1SC ZINC000346002186 164314996 /nfs/dbraw/zinc/31/49/96/164314996.db2.gz SNRIYNVIBNJWQM-UHFFFAOYSA-N 0 0 344.458 3.198 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1=O ZINC000346068160 164329699 /nfs/dbraw/zinc/32/96/99/164329699.db2.gz CMBYBOJKWQJYAD-MRVPVSSYSA-N 0 0 345.277 3.056 10 5 EGBERN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000349808736 164937306 /nfs/dbraw/zinc/93/73/06/164937306.db2.gz SNJHUMZXLHFTGU-SNVBAGLBSA-N 0 0 335.360 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000351903511 165144147 /nfs/dbraw/zinc/14/41/47/165144147.db2.gz XUKMKKVPGQHLOT-GJZGRUSLSA-N 0 0 346.408 3.046 10 5 EGBERN COc1cc(CNc2cc(C)ccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000352041190 165205223 /nfs/dbraw/zinc/20/52/23/165205223.db2.gz WFHIOAUAGNKIEJ-UHFFFAOYSA-N 0 0 329.356 3.482 10 5 EGBERN CCCNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352041114 165205384 /nfs/dbraw/zinc/20/53/84/165205384.db2.gz VAVRCAZGQNBZQJ-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN Cc1sc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353771642 165886547 /nfs/dbraw/zinc/88/65/47/165886547.db2.gz ANDVGGUPLUSTFB-UTLUCORTSA-N 0 0 332.447 3.020 10 5 EGBERN CN(C)c1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000353902247 165917753 /nfs/dbraw/zinc/91/77/53/165917753.db2.gz LNZVPYVRYILCKB-UHFFFAOYSA-N 0 0 338.367 3.072 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000355179738 166124813 /nfs/dbraw/zinc/12/48/13/166124813.db2.gz VOQKCTFMWSLXPV-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355216580 166136938 /nfs/dbraw/zinc/13/69/38/166136938.db2.gz BCKBGQWCOTWCFX-SJCJKPOMSA-N 0 0 345.399 3.137 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000355323927 166164079 /nfs/dbraw/zinc/16/40/79/166164079.db2.gz SQOHKIPBZFPDED-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC000355390410 166182025 /nfs/dbraw/zinc/18/20/25/166182025.db2.gz XYRVFBKPJCUVDF-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN O=C(c1ccnc2ccncc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355465330 166210239 /nfs/dbraw/zinc/21/02/39/166210239.db2.gz WQHIRHNQXDRUGB-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000355587419 166251876 /nfs/dbraw/zinc/25/18/76/166251876.db2.gz UGHASHGHNRIZHD-CYBMUJFWSA-N 0 0 349.412 3.437 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)F)ccc2Cl)n1 ZINC000355715523 166288347 /nfs/dbraw/zinc/28/83/47/166288347.db2.gz GFTGYMIDXWMKRW-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000355724066 166290814 /nfs/dbraw/zinc/29/08/14/166290814.db2.gz LXZRJTWIVRIBGX-UHFFFAOYSA-N 0 0 342.248 3.124 10 5 EGBERN COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355938677 166353850 /nfs/dbraw/zinc/35/38/50/166353850.db2.gz WEXISOYDOXBGNM-IJLUTSLNSA-N 0 0 336.388 3.119 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)c1 ZINC000356038321 166382188 /nfs/dbraw/zinc/38/21/88/166382188.db2.gz QXOATGALYLJHHH-UHFFFAOYSA-N 0 0 337.339 3.307 10 5 EGBERN O=c1ccn(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc12 ZINC000356089386 166397085 /nfs/dbraw/zinc/39/70/85/166397085.db2.gz CIWQCOVXEUKZJW-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1coc2cc(F)ccc12 ZINC000356564661 166450736 /nfs/dbraw/zinc/45/07/36/166450736.db2.gz RLEJKHDSHWISJH-UHFFFAOYSA-N 0 0 328.299 3.453 10 5 EGBERN COC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC(C)CC1 ZINC000357323452 166647540 /nfs/dbraw/zinc/64/75/40/166647540.db2.gz UDYBJPSIUXQJSB-UHFFFAOYSA-N 0 0 345.399 3.401 10 5 EGBERN CC[C@@H]1C[C@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000358905737 167000166 /nfs/dbraw/zinc/00/01/66/167000166.db2.gz NIDYHVUAOJNFDX-WOSRLPQWSA-N 0 0 332.400 3.468 10 5 EGBERN CC(C)Cn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cn1 ZINC000358906594 167000492 /nfs/dbraw/zinc/00/04/92/167000492.db2.gz OJMFSHOHCYWEBH-GFCCVEGCSA-N 0 0 328.372 3.039 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000359051085 167050050 /nfs/dbraw/zinc/05/00/50/167050050.db2.gz MLURWOWRBGQNHF-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(OCC3CC3)nc2)n1 ZINC000359082696 167062010 /nfs/dbraw/zinc/06/20/10/167062010.db2.gz LYIBKTCKJIEBFY-UHFFFAOYSA-N 0 0 328.372 3.403 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ncco3)c2C)n1 ZINC000359131455 167076042 /nfs/dbraw/zinc/07/60/42/167076042.db2.gz RAZZJWVTUBOUSN-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360688333 167388648 /nfs/dbraw/zinc/38/86/48/167388648.db2.gz CRGIICXGOKGJQH-LBPRGKRZSA-N 0 0 331.372 3.140 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362546743 167792794 /nfs/dbraw/zinc/79/27/94/167792794.db2.gz BNOLSXAUHONQPA-UHFFFAOYSA-N 0 0 334.416 3.237 10 5 EGBERN CC[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376386315 287212358 /nfs/dbraw/zinc/21/23/58/287212358.db2.gz UKGOJQXWGDSCRJ-DOMZBBRYSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000366117111 168085100 /nfs/dbraw/zinc/08/51/00/168085100.db2.gz CDOKNVNQMZMJCB-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN Cc1ccnc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000366977049 168164798 /nfs/dbraw/zinc/16/47/98/168164798.db2.gz QXQLTZICDAZHHD-UHFFFAOYSA-N 0 0 330.363 3.212 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367562409 168242475 /nfs/dbraw/zinc/24/24/75/168242475.db2.gz HRPFLYQDJMCRSG-APWZRJJASA-N 0 0 340.379 3.031 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000367903033 168282644 /nfs/dbraw/zinc/28/26/44/168282644.db2.gz YSJKVZLYVXKARO-MRXNPFEDSA-N 0 0 345.399 3.078 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000162664107 225847650 /nfs/dbraw/zinc/84/76/50/225847650.db2.gz WXTIPHVRKKNNSQ-SUMWQHHRSA-N 0 0 333.388 3.062 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCO2)c1 ZINC000167589565 226195173 /nfs/dbraw/zinc/19/51/73/226195173.db2.gz KHVUBYXOYHQZPL-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000171506762 227116024 /nfs/dbraw/zinc/11/60/24/227116024.db2.gz LSUQUXSRYWEUJQ-AWEZNQCLSA-N 0 0 329.360 3.006 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000125027022 222511096 /nfs/dbraw/zinc/51/10/96/222511096.db2.gz ZPEWINBDKSLFQT-UKRRQHHQSA-N 0 0 346.408 3.214 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176703913 265197525 /nfs/dbraw/zinc/19/75/25/265197525.db2.gz FYCVTIQAQJEDSU-CABCVRRESA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000177804869 265278223 /nfs/dbraw/zinc/27/82/23/265278223.db2.gz ZTZNJPWFKLPTOF-BBRMVZONSA-N 0 0 330.388 3.237 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000177804856 265278945 /nfs/dbraw/zinc/27/89/45/265278945.db2.gz ZTZNJPWFKLPTOF-CZUORRHYSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000188500971 265683780 /nfs/dbraw/zinc/68/37/80/265683780.db2.gz XVVOVEDAMWLNGO-GFCCVEGCSA-N 0 0 345.355 3.030 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000190505236 265840626 /nfs/dbraw/zinc/84/06/26/265840626.db2.gz ZNOGOVQVAPJDGE-UHFFFAOYSA-N 0 0 339.351 3.317 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)n1 ZINC000191829144 265934225 /nfs/dbraw/zinc/93/42/25/265934225.db2.gz UGBBGBFSXDXNHI-FZMZJTMJSA-N 0 0 346.362 3.174 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCCN(c2ncccn2)C1 ZINC000193342932 266025498 /nfs/dbraw/zinc/02/54/98/266025498.db2.gz BZGXUDCKGUDFJN-LBPRGKRZSA-N 0 0 347.806 3.428 10 5 EGBERN C[C@@H]1COCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000193810594 266064725 /nfs/dbraw/zinc/06/47/25/266064725.db2.gz BAGQTPUQIYUZMZ-ZWNOBZJWSA-N 0 0 347.396 3.329 10 5 EGBERN COc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000194962424 266149057 /nfs/dbraw/zinc/14/90/57/266149057.db2.gz VIHULQGGZKHJHM-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269481880 266302676 /nfs/dbraw/zinc/30/26/76/266302676.db2.gz MBJZMYXUBPQKCE-UHFFFAOYSA-N 0 0 342.277 3.216 10 5 EGBERN O=C(NCCCc1ccccn1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269489196 266305060 /nfs/dbraw/zinc/30/50/60/266305060.db2.gz RYJZXYWQMMYYEH-UHFFFAOYSA-N 0 0 348.790 3.075 10 5 EGBERN Cc1sc(C(=O)N[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000270760284 266553882 /nfs/dbraw/zinc/55/38/82/266553882.db2.gz PVIJJBDNEOQLNC-CYBMUJFWSA-N 0 0 334.397 3.208 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000272228646 266797472 /nfs/dbraw/zinc/79/74/72/266797472.db2.gz VGPDFZIXWUYLOV-BLLLJJGKSA-N 0 0 341.367 3.050 10 5 EGBERN CC[C@H](NC(=O)N1CCC(CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273019953 266960503 /nfs/dbraw/zinc/96/05/03/266960503.db2.gz CMFZBVCGFQFCIW-KRWDZBQOSA-N 0 0 349.431 3.240 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]1(C)CCCO ZINC000273362749 267027609 /nfs/dbraw/zinc/02/76/09/267027609.db2.gz WHBVUICDAVWIEY-JKGDOXCYSA-N 0 0 332.400 3.152 10 5 EGBERN CC(C)c1ccc(Cc2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000273707500 267087577 /nfs/dbraw/zinc/08/75/77/267087577.db2.gz LXPRIGUZSMROHI-UHFFFAOYSA-N 0 0 327.344 3.093 10 5 EGBERN CCOc1cccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000273820868 267116570 /nfs/dbraw/zinc/11/65/70/267116570.db2.gz CRMDBJTXZFIOAM-DZGCQCFKSA-N 0 0 330.388 3.278 10 5 EGBERN C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000276538384 267568495 /nfs/dbraw/zinc/56/84/95/267568495.db2.gz CVLRHCQSPVBAFG-CXAGYDPISA-N 0 0 337.383 3.427 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCOC3(CCSCC3)C1)CCN2 ZINC000278387064 268001717 /nfs/dbraw/zinc/00/17/17/268001717.db2.gz LXTVMGKYGJMUGT-GFCCVEGCSA-N 0 0 349.456 3.420 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356746181 287715483 /nfs/dbraw/zinc/71/54/83/287715483.db2.gz LCFYNTGTHBYKLW-NFAWXSAZSA-N 0 0 331.416 3.359 10 5 EGBERN COC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000109618480 275178876 /nfs/dbraw/zinc/17/88/76/275178876.db2.gz FSRQQZWPAVMETA-UHFFFAOYSA-N 0 0 339.307 3.407 10 5 EGBERN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000109742219 275179077 /nfs/dbraw/zinc/17/90/77/275179077.db2.gz NCCFKXRUPWCNPE-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295838 275189270 /nfs/dbraw/zinc/18/92/70/275189270.db2.gz OFACSVGGXBDIEN-HNNXBMFYSA-N 0 0 330.340 3.391 10 5 EGBERN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184980900 275214435 /nfs/dbraw/zinc/21/44/35/275214435.db2.gz PDVHZSFURGEPNA-STQMWFEESA-N 0 0 343.383 3.311 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194836364 275227639 /nfs/dbraw/zinc/22/76/39/275227639.db2.gz MHENJRZKVBTPMI-RISCZKNCSA-N 0 0 343.383 3.317 10 5 EGBERN Cc1cc(Cc2noc(-c3cnn4c3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000273988966 275246942 /nfs/dbraw/zinc/24/69/42/275246942.db2.gz QASYWVJKMKDPEF-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000278627275 275260403 /nfs/dbraw/zinc/26/04/03/275260403.db2.gz MFRVFWRNYWIYJW-SMDDNHRTSA-N 0 0 340.807 3.180 10 5 EGBERN CC1(C)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000278734426 275269848 /nfs/dbraw/zinc/26/98/48/275269848.db2.gz LEPUOFMPZAMEER-NSHDSACASA-N 0 0 343.177 3.253 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000278737756 275270307 /nfs/dbraw/zinc/27/03/07/275270307.db2.gz SIBGCXKCVGDTEI-AWEZNQCLSA-N 0 0 342.823 3.330 10 5 EGBERN CC(C)n1ncnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000278792913 275275238 /nfs/dbraw/zinc/27/52/38/275275238.db2.gz VINHLDYSYTUSGP-UHFFFAOYSA-N 0 0 330.266 3.365 10 5 EGBERN CC(=O)N[C@H](CC1CCC1)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000279052220 275299580 /nfs/dbraw/zinc/29/95/80/275299580.db2.gz RPNFTZXVWFGDAC-BLLLJJGKSA-N 0 0 348.399 3.202 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000279307264 275321194 /nfs/dbraw/zinc/32/11/94/275321194.db2.gz DKNURWAXJNBZFO-UHFFFAOYSA-N 0 0 325.796 3.307 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCc1ccc(F)cc1 ZINC000279437090 275331121 /nfs/dbraw/zinc/33/11/21/275331121.db2.gz YIARGGLWCZHKGO-UHFFFAOYSA-N 0 0 346.358 3.447 10 5 EGBERN CCC[C@@]12CCCN1C(=O)N([C@H](C)c1ccccc1[N+](=O)[O-])C2=O ZINC000279863831 275367157 /nfs/dbraw/zinc/36/71/57/275367157.db2.gz BWTNOOBTZYCWKN-PXAZEXFGSA-N 0 0 331.372 3.253 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CCc1nccs1 ZINC000279864603 275367359 /nfs/dbraw/zinc/36/73/59/275367359.db2.gz BTJLZIYMULYYEK-UHFFFAOYSA-N 0 0 349.412 3.155 10 5 EGBERN Cc1nnc(CNc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000280341926 275439614 /nfs/dbraw/zinc/43/96/14/275439614.db2.gz HDSBEKWNLQVDRG-UHFFFAOYSA-N 0 0 343.206 3.438 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc2n(n1)CCCC2 ZINC000286347257 275985488 /nfs/dbraw/zinc/98/54/88/275985488.db2.gz CMTYXXWWUOQAMP-UHFFFAOYSA-N 0 0 334.763 3.342 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2CC(F)F)cc1OC(F)F ZINC000286421517 275997594 /nfs/dbraw/zinc/99/75/94/275997594.db2.gz OPGKCJBGRATZIG-VIFPVBQESA-N 0 0 338.257 3.057 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(C)no1 ZINC000286651629 276027786 /nfs/dbraw/zinc/02/77/86/276027786.db2.gz QYINOMORDWEAPV-AUECHBEKSA-N 0 0 342.355 3.053 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000287052662 276076844 /nfs/dbraw/zinc/07/68/44/276076844.db2.gz WZXAPYIVHXSSHN-ZDUSSCGKSA-N 0 0 348.399 3.356 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)c1 ZINC000287303006 276105824 /nfs/dbraw/zinc/10/58/24/276105824.db2.gz MWDPXPQFZUUAHN-AWEZNQCLSA-N 0 0 342.399 3.267 10 5 EGBERN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000287416388 276117690 /nfs/dbraw/zinc/11/76/90/276117690.db2.gz TWQLKJOAKMBEOW-PIGZYNQJSA-N 0 0 331.347 3.283 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)nc1 ZINC000288135344 276185611 /nfs/dbraw/zinc/18/56/11/276185611.db2.gz ACSOYIVBNJLSAP-CYBMUJFWSA-N 0 0 329.360 3.372 10 5 EGBERN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000288228485 276192809 /nfs/dbraw/zinc/19/28/09/276192809.db2.gz FBTFKDNEWQJUDH-PBHICJAKSA-N 0 0 342.399 3.181 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@H]1CC(F)F ZINC000288673150 276240686 /nfs/dbraw/zinc/24/06/86/276240686.db2.gz BLKPEBREYOWNAS-SNVBAGLBSA-N 0 0 348.733 3.053 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000288961530 276272105 /nfs/dbraw/zinc/27/21/05/276272105.db2.gz TWLVOJCVWYCJNC-XHDPSFHLSA-N 0 0 348.378 3.225 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC(C)(C)O3)n2)c1 ZINC000289192778 276302628 /nfs/dbraw/zinc/30/26/28/276302628.db2.gz XLNMFLFZECIJTF-ZDUSSCGKSA-N 0 0 333.344 3.207 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@]3(CO)C[C@@H]3c3ccccc3)nc2c1 ZINC000290543361 276509539 /nfs/dbraw/zinc/50/95/39/276509539.db2.gz ARZKDGQJGXZYNN-RDTXWAMCSA-N 0 0 338.367 3.049 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291927653 276709063 /nfs/dbraw/zinc/70/90/63/276709063.db2.gz LXBVWLVUENADPJ-HXUWFJFHSA-N 0 0 349.390 3.283 10 5 EGBERN COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccc1F ZINC000154355680 277799562 /nfs/dbraw/zinc/79/95/62/277799562.db2.gz ILJHQHKTALXSTQ-SNVBAGLBSA-N 0 0 330.315 3.334 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnn1-c1ccccc1 ZINC000348115235 278038424 /nfs/dbraw/zinc/03/84/24/278038424.db2.gz KYEOBXLVOQBBJQ-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000156598127 278285845 /nfs/dbraw/zinc/28/58/45/278285845.db2.gz RVUHKNWLFGSGRM-KRWDZBQOSA-N 0 0 342.399 3.011 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359543234 279922479 /nfs/dbraw/zinc/92/24/79/279922479.db2.gz CREHGZIQROWNOM-XHDPSFHLSA-N 0 0 331.347 3.283 10 5 EGBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)sc2nccn12 ZINC000349370179 280214192 /nfs/dbraw/zinc/21/41/92/280214192.db2.gz VMUVMTDELATJKV-VIFPVBQESA-N 0 0 342.380 3.204 10 5 EGBERN O=C1CCN1c1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000359301479 280256203 /nfs/dbraw/zinc/25/62/03/280256203.db2.gz NLKGCPVOUBAEHR-UHFFFAOYSA-N 0 0 335.323 3.018 10 5 EGBERN Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(-c2ccccn2)n1 ZINC000340994380 280300619 /nfs/dbraw/zinc/30/06/19/280300619.db2.gz SULGSQAJAGXUDK-CYBMUJFWSA-N 0 0 335.367 3.350 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000090009608 280364080 /nfs/dbraw/zinc/36/40/80/280364080.db2.gz WEWVHBSHXHKKPX-CQSZACIVSA-N 0 0 330.306 3.224 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000356746432 280592118 /nfs/dbraw/zinc/59/21/18/280592118.db2.gz QXNJHPIRBYOYDE-HNNXBMFYSA-N 0 0 334.416 3.485 10 5 EGBERN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000376423512 288257376 /nfs/dbraw/zinc/25/73/76/288257376.db2.gz XEGHTBCUQVPLKP-HSMVNMDESA-N 0 0 340.807 3.411 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000368034147 282041985 /nfs/dbraw/zinc/04/19/85/282041985.db2.gz DQOPWRKDEFKBLW-CYBMUJFWSA-N 0 0 331.397 3.476 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000408172502 302045549 /nfs/dbraw/zinc/04/55/49/302045549.db2.gz XEPLOGYUGSAJFV-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN C[C@H]1CC(C)(C)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000413579972 309038363 /nfs/dbraw/zinc/03/83/63/309038363.db2.gz LADGYRZEXFIQHY-LBPRGKRZSA-N 0 0 342.399 3.184 10 5 EGBERN Cc1c(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000055013128 307339558 /nfs/dbraw/zinc/33/95/58/307339558.db2.gz KHTIEBCUEUXGJF-INIZCTEOSA-N 0 0 335.404 3.029 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000056753656 307344375 /nfs/dbraw/zinc/34/43/75/307344375.db2.gz YJVYWNQTPUCOLT-UHFFFAOYSA-N 0 0 345.374 3.161 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000064242800 307356680 /nfs/dbraw/zinc/35/66/80/307356680.db2.gz ZKTDVXMXARQJDX-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000075287843 307398669 /nfs/dbraw/zinc/39/86/69/307398669.db2.gz KVJGQIAZDXEGIO-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000089306449 307448282 /nfs/dbraw/zinc/44/82/82/307448282.db2.gz AFOWMOMYQBPSFL-LLVKDONJSA-N 0 0 349.412 3.040 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119296098 307493664 /nfs/dbraw/zinc/49/36/64/307493664.db2.gz QHROFCSVGHPAHZ-UGSOOPFHSA-N 0 0 339.395 3.370 10 5 EGBERN Cc1cccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000125025859 307552886 /nfs/dbraw/zinc/55/28/86/307552886.db2.gz ZFQFGPCLOWLZKS-AWEZNQCLSA-N 0 0 328.368 3.409 10 5 EGBERN COc1cc(OCC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155627887 307817775 /nfs/dbraw/zinc/81/77/75/307817775.db2.gz GONVYZVEVUNSCZ-HUUCEWRRSA-N 0 0 348.399 3.067 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293741216 308157820 /nfs/dbraw/zinc/15/78/20/308157820.db2.gz PWOYRWWTBMXATA-IRXDYDNUSA-N 0 0 332.400 3.291 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2CC2)n1 ZINC000293983732 308180044 /nfs/dbraw/zinc/18/00/44/308180044.db2.gz TVNYGHDIXDFATE-UHFFFAOYSA-N 0 0 326.356 3.186 10 5 EGBERN Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])sc2nccn12 ZINC000294162880 308196127 /nfs/dbraw/zinc/19/61/27/308196127.db2.gz QXWZGLMQSQLHJZ-UHFFFAOYSA-N 0 0 344.396 3.278 10 5 EGBERN CO[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000416056779 309156534 /nfs/dbraw/zinc/15/65/34/309156534.db2.gz IEIZMLKADCOERT-GFCCVEGCSA-N 0 0 328.796 3.348 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000294705393 308248124 /nfs/dbraw/zinc/24/81/24/308248124.db2.gz NJHKCDVPBSVRRP-SWLSCSKDSA-N 0 0 340.326 3.111 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295362326 308318595 /nfs/dbraw/zinc/31/85/95/308318595.db2.gz WFABMOPPARQZNA-HIFRSBDPSA-N 0 0 344.371 3.129 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295630141 308345132 /nfs/dbraw/zinc/34/51/32/308345132.db2.gz PVYZTJFEFVCFLC-UHFFFAOYSA-N 0 0 337.763 3.345 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295769105 308358103 /nfs/dbraw/zinc/35/81/03/308358103.db2.gz PPSORCIGVGMHQC-TZMCWYRMSA-N 0 0 334.763 3.370 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000296794043 308467960 /nfs/dbraw/zinc/46/79/60/308467960.db2.gz QHROKFMLIPUIKN-MRXNPFEDSA-N 0 0 342.399 3.291 10 5 EGBERN CCCCOc1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000301079858 308687423 /nfs/dbraw/zinc/68/74/23/308687423.db2.gz KFAZJNVXFOEOKP-UHFFFAOYSA-N 0 0 330.344 3.011 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301428305 308699962 /nfs/dbraw/zinc/69/99/62/308699962.db2.gz PPEDKWBMIMAYNP-VXGBXAGGSA-N 0 0 334.347 3.313 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)c2ccsc2)c1 ZINC000301472599 308701604 /nfs/dbraw/zinc/70/16/04/308701604.db2.gz LBLAZBAEUREAMW-AWEZNQCLSA-N 0 0 326.349 3.124 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301559636 308705234 /nfs/dbraw/zinc/70/52/34/308705234.db2.gz INFYSDAEWSVNKI-LBPRGKRZSA-N 0 0 339.823 3.442 10 5 EGBERN CN(Cc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301583773 308706176 /nfs/dbraw/zinc/70/61/76/308706176.db2.gz OGKFUTILDDCTTP-UHFFFAOYSA-N 0 0 345.746 3.330 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-n2cccn2)cc1 ZINC000301752523 308713909 /nfs/dbraw/zinc/71/39/09/308713909.db2.gz VNGFCGWUQBHOMO-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCc2ccnc(-n3ccnc3)c2)c(F)c1 ZINC000301786982 308715262 /nfs/dbraw/zinc/71/52/62/308715262.db2.gz MGEANBXLLDCJAW-UHFFFAOYSA-N 0 0 331.282 3.066 10 5 EGBERN Cc1nc(CNc2ncc(Br)cc2[N+](=O)[O-])c(C)s1 ZINC000301851552 308718436 /nfs/dbraw/zinc/71/84/36/308718436.db2.gz XBHUHFOZFADVRM-UHFFFAOYSA-N 0 0 343.206 3.438 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4cccc(Cl)c4)CC3)nn21 ZINC000302001654 308724749 /nfs/dbraw/zinc/72/47/49/308724749.db2.gz QOMBRFHLIKFFCS-UHFFFAOYSA-N 0 0 343.774 3.435 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000302030061 308725942 /nfs/dbraw/zinc/72/59/42/308725942.db2.gz RRDINTJJMYYUQQ-XVNBXDOJSA-N 0 0 347.758 3.442 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccnc(OC2CCC2)c1 ZINC000302073476 308728101 /nfs/dbraw/zinc/72/81/01/308728101.db2.gz WRXUWPHTRJHGHY-UHFFFAOYSA-N 0 0 329.356 3.026 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000302144093 308730781 /nfs/dbraw/zinc/73/07/81/308730781.db2.gz GFXBFUZSZJCFMA-XJKSGUPXSA-N 0 0 336.388 3.245 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000302162964 308731563 /nfs/dbraw/zinc/73/15/63/308731563.db2.gz QGAHBOOPWQOACL-CYBMUJFWSA-N 0 0 335.335 3.134 10 5 EGBERN CCOc1cccc(N[C@H](C)Cc2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000302179816 308732183 /nfs/dbraw/zinc/73/21/83/308732183.db2.gz XWHJHLKCYDWGPG-LLVKDONJSA-N 0 0 332.404 3.387 10 5 EGBERN COc1cc2c(cc1F)ncnc2NCc1cccc([N+](=O)[O-])c1 ZINC000302596288 308740329 /nfs/dbraw/zinc/74/03/29/308740329.db2.gz XNBZTWFCVGYAOO-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN CO[C@@H]1CC[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737288 308743823 /nfs/dbraw/zinc/74/38/23/308743823.db2.gz BMWHLOKRUUXTLH-UKRRQHHQSA-N 0 0 328.372 3.340 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302817473 308746840 /nfs/dbraw/zinc/74/68/40/308746840.db2.gz MIVXWLXHBRXFSH-LBPRGKRZSA-N 0 0 337.395 3.111 10 5 EGBERN COc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1O ZINC000303821254 308755366 /nfs/dbraw/zinc/75/53/66/308755366.db2.gz PJBAUWFKHKXIRY-UHFFFAOYSA-N 0 0 344.367 3.062 10 5 EGBERN CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCS1 ZINC000330822697 308799031 /nfs/dbraw/zinc/79/90/31/308799031.db2.gz PNAMWMWYVVVGHO-UHFFFAOYSA-N 0 0 346.355 3.164 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000334010697 308873724 /nfs/dbraw/zinc/87/37/24/308873724.db2.gz PEJMUGDTWDVVEE-AAEUAGOBSA-N 0 0 335.404 3.175 10 5 EGBERN COCCOc1cccc(CNc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000360964294 308896007 /nfs/dbraw/zinc/89/60/07/308896007.db2.gz PGJNYQYKELOTAY-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H](C)CC(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000410759986 308920883 /nfs/dbraw/zinc/92/08/83/308920883.db2.gz IMJKEIHFIMMGBS-ZETCQYMHSA-N 0 0 348.277 3.217 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000412604411 308993492 /nfs/dbraw/zinc/99/34/92/308993492.db2.gz LFVAFCXDKFZUEP-WCQYABFASA-N 0 0 348.790 3.048 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000412781835 309002329 /nfs/dbraw/zinc/00/23/29/309002329.db2.gz MWFAUYYDMJDOMS-LBPRGKRZSA-N 0 0 343.383 3.169 10 5 EGBERN COc1ccccc1C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413089842 309015655 /nfs/dbraw/zinc/01/56/55/309015655.db2.gz CRUWDJCSUUCJHB-CYBMUJFWSA-N 0 0 331.347 3.349 10 5 EGBERN CCc1nnc(CNc2cc(C)c([N+](=O)[O-])cc2Br)o1 ZINC000413193864 309020736 /nfs/dbraw/zinc/02/07/36/309020736.db2.gz APPOAAYRLMBKNF-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCCC[C@@H]3CCCC[C@H]3O)c2c1 ZINC000413211445 309021695 /nfs/dbraw/zinc/02/16/95/309021695.db2.gz XCFCLVYHCANHGL-WMLDXEAASA-N 0 0 329.400 3.308 10 5 EGBERN CO[C@@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000413255300 309023751 /nfs/dbraw/zinc/02/37/51/309023751.db2.gz HLXALVGFBITMSN-QMMMGPOBSA-N 0 0 347.215 3.388 10 5 EGBERN Cc1cncn1C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413270208 309024316 /nfs/dbraw/zinc/02/43/16/309024316.db2.gz QLQGZZKECQMEFS-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1cccnc1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413307504 309025979 /nfs/dbraw/zinc/02/59/79/309025979.db2.gz ASCCWAHOPSZTGG-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN Cc1nn(CCC(=O)N(c2ccccc2)[C@@H]2C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000415892444 309146358 /nfs/dbraw/zinc/14/63/58/309146358.db2.gz NYAOSJNQKHLLQY-MLGOLLRUSA-N 0 0 342.399 3.240 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000420615841 309290259 /nfs/dbraw/zinc/29/02/59/309290259.db2.gz FPVRJKNUUSLBSX-WPRPVWTQSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@@H]1CC[C@H](O)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420637398 309291174 /nfs/dbraw/zinc/29/11/74/309291174.db2.gz NSQJHWHUUDWVOM-CJNGLKHVSA-N 0 0 340.379 3.175 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000420797507 309295341 /nfs/dbraw/zinc/29/53/41/309295341.db2.gz HBKRPVPQATZCPI-VHDGCEQUSA-N 0 0 335.404 3.221 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421432220 309324373 /nfs/dbraw/zinc/32/43/73/309324373.db2.gz PAEHRORSCRPERZ-TUAOUCFPSA-N 0 0 332.356 3.131 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000421474632 309326230 /nfs/dbraw/zinc/32/62/30/309326230.db2.gz PZZCIZYYACDZFC-MRXNPFEDSA-N 0 0 344.415 3.462 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421589737 309330979 /nfs/dbraw/zinc/33/09/79/309330979.db2.gz KWSSZCFOGZVXOC-ZDUSSCGKSA-N 0 0 349.456 3.290 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421591743 309331104 /nfs/dbraw/zinc/33/11/04/309331104.db2.gz QKZZKALOWWSHSB-JTQLQIEISA-N 0 0 326.443 3.228 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000422242912 309359041 /nfs/dbraw/zinc/35/90/41/309359041.db2.gz VSNQTKWSGWAEMY-WBVHZDCISA-N 0 0 349.431 3.472 10 5 EGBERN Cc1nn(C)c(NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000425270188 309470730 /nfs/dbraw/zinc/47/07/30/309470730.db2.gz VOKIHFHJVLMQCJ-GFCCVEGCSA-N 0 0 340.424 3.053 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1oc(C)nc1C ZINC000425311484 309472705 /nfs/dbraw/zinc/47/27/05/309472705.db2.gz YUZCJPQVHLVJNL-AWEZNQCLSA-N 0 0 331.372 3.085 10 5 EGBERN COc1ccnc(N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000425603136 309487594 /nfs/dbraw/zinc/48/75/94/309487594.db2.gz CQDMBDQAZHGMRW-LLVKDONJSA-N 0 0 347.396 3.142 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000426871607 309519019 /nfs/dbraw/zinc/51/90/19/309519019.db2.gz NUQHVPGYGKHEMP-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN CCCC(C)(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000426892434 309519438 /nfs/dbraw/zinc/51/94/38/309519438.db2.gz XJJATMMQPURQEU-ZDUSSCGKSA-N 0 0 334.420 3.219 10 5 EGBERN COC1CCC(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000427047446 309521550 /nfs/dbraw/zinc/52/15/50/309521550.db2.gz VPBKDAKBOSQJEQ-UHFFFAOYSA-N 0 0 347.415 3.104 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C(=O)NC1CC1 ZINC000429783551 309590071 /nfs/dbraw/zinc/59/00/71/309590071.db2.gz LJGBDFHHAWDQDX-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN CCOC(=O)CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000432885015 309672012 /nfs/dbraw/zinc/67/20/12/309672012.db2.gz JNYLRHDCGSDVJT-UHFFFAOYSA-N 0 0 349.387 3.291 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000433995282 309702190 /nfs/dbraw/zinc/70/21/90/309702190.db2.gz UAXKQHMTDUXQPX-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n(C2CCOCC2)n1 ZINC000434318227 309708898 /nfs/dbraw/zinc/70/88/98/309708898.db2.gz SLAUVAIEYORUGF-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(C2CCOCC2)n1 ZINC000434326915 309708950 /nfs/dbraw/zinc/70/89/50/309708950.db2.gz PCTDQBDGZHOMCU-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000435140550 309726427 /nfs/dbraw/zinc/72/64/27/309726427.db2.gz IWWOVNAZRZABCL-DOTOQJQBSA-N 0 0 343.383 3.351 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000435868330 309742080 /nfs/dbraw/zinc/74/20/80/309742080.db2.gz DJHHTAYPUXMDGZ-BZNIZROVSA-N 0 0 326.352 3.267 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439604623 309836456 /nfs/dbraw/zinc/83/64/56/309836456.db2.gz RVIFKNRTSKYHAL-PSVSLLHZSA-N 0 0 341.367 3.059 10 5 EGBERN CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443756745 309907707 /nfs/dbraw/zinc/90/77/07/309907707.db2.gz AXSFSSJVKLAAEN-GDBMZVCRSA-N 0 0 340.445 3.373 10 5 EGBERN CCCCC[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443772957 309907851 /nfs/dbraw/zinc/90/78/51/309907851.db2.gz BIJHOYKFCLMLAM-HNNXBMFYSA-N 0 0 340.445 3.469 10 5 EGBERN CCc1ccc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000444826385 309931705 /nfs/dbraw/zinc/93/17/05/309931705.db2.gz FJFABVUNGQSACS-UHFFFAOYSA-N 0 0 344.352 3.120 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(Cl)sc2Cl)n1 ZINC000445578354 309943755 /nfs/dbraw/zinc/94/37/55/309943755.db2.gz FGGCRGUPVGZKQX-UHFFFAOYSA-N 0 0 346.155 3.414 10 5 EGBERN CCc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)oc1CC ZINC000445598714 309944085 /nfs/dbraw/zinc/94/40/85/309944085.db2.gz AEYHBNZPXDKAGI-UHFFFAOYSA-N 0 0 331.332 3.072 10 5 EGBERN CCOC(=O)c1nnc(SCc2ccc([N+](=O)[O-])cc2F)s1 ZINC000447333348 309977561 /nfs/dbraw/zinc/97/75/61/309977561.db2.gz IJMHEJMPYPHIDU-UHFFFAOYSA-N 0 0 343.361 3.054 10 5 EGBERN CCc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n(C)n1 ZINC000448350285 310002458 /nfs/dbraw/zinc/00/24/58/310002458.db2.gz FYERDDMDJGGQGH-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1cccc(C(=O)Nc2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC000448490905 310004637 /nfs/dbraw/zinc/00/46/37/310004637.db2.gz RADBZHAEYDHYQE-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000449303610 310051796 /nfs/dbraw/zinc/05/17/96/310051796.db2.gz XHXBWZCRBYVELX-HIFRSBDPSA-N 0 0 342.399 3.356 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@@H]1CCCC[C@H]1O ZINC000450393131 310119841 /nfs/dbraw/zinc/11/98/41/310119841.db2.gz OFAJWEJABDADQO-SUMWQHHRSA-N 0 0 329.400 3.308 10 5 EGBERN CC(F)(F)CCNc1nc(NCCC(C)(F)F)c([N+](=O)[O-])s1 ZINC000450551414 310129626 /nfs/dbraw/zinc/12/96/26/310129626.db2.gz DPDKHUVLHPFDCQ-UHFFFAOYSA-N 0 0 344.334 3.388 10 5 EGBERN CC[C@@H](NCc1nc(C(=O)OC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000450679893 310136745 /nfs/dbraw/zinc/13/67/45/310136745.db2.gz KIFXFYGZPZJQJL-GFCCVEGCSA-N 0 0 335.385 3.079 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000450802615 310143249 /nfs/dbraw/zinc/14/32/49/310143249.db2.gz ZKQFNEXQUNTINU-CABCVRRESA-N 0 0 328.372 3.334 10 5 EGBERN CCCc1ncc(CNc2ncc(Br)cc2[N+](=O)[O-])o1 ZINC000450843596 310145390 /nfs/dbraw/zinc/14/53/90/310145390.db2.gz FNDXHYCAKQYAFV-UHFFFAOYSA-N 0 0 341.165 3.305 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@H](COC)CC2)ccc1[N+](=O)[O-] ZINC000450951377 310151652 /nfs/dbraw/zinc/15/16/52/310151652.db2.gz XLISKYDEBBAXHJ-ZDUSSCGKSA-N 0 0 336.388 3.024 10 5 EGBERN CCc1sc(-c2nnc(Cn3cc([N+](=O)[O-])c(C)n3)o2)cc1C ZINC000450965286 310152444 /nfs/dbraw/zinc/15/24/44/310152444.db2.gz WSKSEXOIFIZMRN-UHFFFAOYSA-N 0 0 333.373 3.130 10 5 EGBERN O=C(CCC(=O)N1CCCC[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451473414 310180100 /nfs/dbraw/zinc/18/01/00/310180100.db2.gz NYUVCFCVUYFVGE-CYBMUJFWSA-N 0 0 340.326 3.204 10 5 EGBERN CC(C)(C)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000452100447 310212063 /nfs/dbraw/zinc/21/20/63/310212063.db2.gz HZQVHWMKNSUSKT-CQSZACIVSA-N 0 0 340.445 3.183 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000452503669 310230426 /nfs/dbraw/zinc/23/04/26/310230426.db2.gz UBIOIHCUFXHVHL-CJNGLKHVSA-N 0 0 343.427 3.456 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(C)cnc2OCC)cc1[N+](=O)[O-] ZINC000452674479 310237042 /nfs/dbraw/zinc/23/70/42/310237042.db2.gz GOCIDRUFMZBYBC-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C\[C@@H]3CCOC3)n2)c2c1NCCC2 ZINC000453229768 310265473 /nfs/dbraw/zinc/26/54/73/310265473.db2.gz CUEFSAHRNIJBLX-ZTYXWKCZSA-N 0 0 342.355 3.053 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CCc3ccoc3)n2)c2c1NCCC2 ZINC000453236326 310265783 /nfs/dbraw/zinc/26/57/83/310265783.db2.gz LGBMYTRCPDUGLE-UHFFFAOYSA-N 0 0 340.339 3.381 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000455180495 310349054 /nfs/dbraw/zinc/34/90/54/310349054.db2.gz INZQFRIKVUZSIZ-XJKSGUPXSA-N 0 0 335.404 3.476 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000455423025 310359862 /nfs/dbraw/zinc/35/98/62/310359862.db2.gz WGMXBYCLIFIQIR-ABAIWWIYSA-N 0 0 335.404 3.175 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000456157284 310390964 /nfs/dbraw/zinc/39/09/64/310390964.db2.gz AIFKGHQQYIYFAK-LBPRGKRZSA-N 0 0 343.387 3.197 10 5 EGBERN Cn1c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000456837952 310424934 /nfs/dbraw/zinc/42/49/34/310424934.db2.gz NXKKYZQEDHZTHQ-CYBMUJFWSA-N 0 0 335.310 3.189 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@]2(CCSC2)C1 ZINC000456862201 310426274 /nfs/dbraw/zinc/42/62/74/310426274.db2.gz GTOYWKRBCQMBDS-QGZVFWFLSA-N 0 0 345.424 3.435 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456919284 310428448 /nfs/dbraw/zinc/42/84/48/310428448.db2.gz AZDIEKVYKQZHPD-ZYHUDNBSSA-N 0 0 346.305 3.301 10 5 EGBERN COc1cc(OCC(=O)N[C@@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000457037970 310433518 /nfs/dbraw/zinc/43/35/18/310433518.db2.gz LFVKJHMRQUXGEN-ZDUSSCGKSA-N 0 0 344.367 3.168 10 5 EGBERN Cc1cncc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000459985298 310578626 /nfs/dbraw/zinc/57/86/26/310578626.db2.gz JAYPHQRWLDLCSC-CYBMUJFWSA-N 0 0 325.368 3.209 10 5 EGBERN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462600188 310602328 /nfs/dbraw/zinc/60/23/28/310602328.db2.gz CQQOSEDCMITSDH-WDEREUQCSA-N 0 0 332.447 3.246 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2c1OCCC2 ZINC000467260488 310670903 /nfs/dbraw/zinc/67/09/03/310670903.db2.gz MOTIYSKXXHCJDI-UHFFFAOYSA-N 0 0 341.367 3.279 10 5 EGBERN COC(=O)c1ccc(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000467710732 310677078 /nfs/dbraw/zinc/67/70/78/310677078.db2.gz MFWSTUXFJHSEKM-UHFFFAOYSA-N 0 0 348.330 3.166 10 5 EGBERN Cc1c(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470631219 310724868 /nfs/dbraw/zinc/72/48/68/310724868.db2.gz FOTRTSVGPRDERV-CMPLNLGQSA-N 0 0 330.306 3.245 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471550586 310738768 /nfs/dbraw/zinc/73/87/68/310738768.db2.gz ZCKKAADECAOQIT-JTQLQIEISA-N 0 0 326.780 3.416 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000473504264 310775770 /nfs/dbraw/zinc/77/57/70/310775770.db2.gz BEFOOCHUOAYMDL-UHFFFAOYSA-N 0 0 348.406 3.465 10 5 EGBERN CCc1cnc(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)s1 ZINC000474785225 310799398 /nfs/dbraw/zinc/79/93/98/310799398.db2.gz QVQIJVQBKDJDPQ-UHFFFAOYSA-N 0 0 349.412 3.363 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476136981 310822874 /nfs/dbraw/zinc/82/28/74/310822874.db2.gz GVRFJPDWAYHXLA-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CCCC[C@@H](Sc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(=O)OC ZINC000480563449 310896803 /nfs/dbraw/zinc/89/68/03/310896803.db2.gz MLIOLCGAIJAKPH-GFCCVEGCSA-N 0 0 341.385 3.205 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@H]2O)nc1-c1ccc(F)cc1 ZINC000485404114 310977129 /nfs/dbraw/zinc/97/71/29/310977129.db2.gz XVLYETORPLQXQE-XJKSGUPXSA-N 0 0 345.374 3.181 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cn1 ZINC000487089274 311010424 /nfs/dbraw/zinc/01/04/24/311010424.db2.gz SRWKSBSMYRACGH-LLVKDONJSA-N 0 0 336.754 3.473 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)c1ccsc1 ZINC000487205238 311015732 /nfs/dbraw/zinc/01/57/32/311015732.db2.gz VNYCJJKUZYPWMP-CYBMUJFWSA-N 0 0 334.397 3.045 10 5 EGBERN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487215766 311016257 /nfs/dbraw/zinc/01/62/57/311016257.db2.gz CFNDACQZAXDDCG-STQMWFEESA-N 0 0 332.356 3.022 10 5 EGBERN Cc1cccc(OCCCNC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000487710220 311034729 /nfs/dbraw/zinc/03/47/29/311034729.db2.gz QETPQMLAQXNZPD-UHFFFAOYSA-N 0 0 343.383 3.114 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(OCCCO)cc1 ZINC000487982570 311046047 /nfs/dbraw/zinc/04/60/47/311046047.db2.gz RQAIEGAKQNMAGO-UHFFFAOYSA-N 0 0 339.351 3.070 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487997065 311046707 /nfs/dbraw/zinc/04/67/07/311046707.db2.gz DKUOALMSAHSVJD-LBPRGKRZSA-N 0 0 341.367 3.353 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H](CSC)C2)cc(C)c1[N+](=O)[O-] ZINC000488927944 311085138 /nfs/dbraw/zinc/08/51/38/311085138.db2.gz YYNZNFXLJMFNOL-GFCCVEGCSA-N 0 0 338.429 3.269 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000488957882 311086816 /nfs/dbraw/zinc/08/68/16/311086816.db2.gz UJJZJBXQNQFRQL-UHFFFAOYSA-N 0 0 346.333 3.391 10 5 EGBERN COCCN(Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000489417510 311105082 /nfs/dbraw/zinc/10/50/82/311105082.db2.gz XIGQSLHLDPIRAX-UHFFFAOYSA-N 0 0 339.392 3.147 10 5 EGBERN COCCN(Cc1scnc1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000489471888 311107481 /nfs/dbraw/zinc/10/74/81/311107481.db2.gz HKCWTLPETADEIB-UHFFFAOYSA-N 0 0 339.392 3.147 10 5 EGBERN C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000492324976 311238247 /nfs/dbraw/zinc/23/82/47/311238247.db2.gz SLFXQHDHLLRQEX-OCHBPSSRSA-N 0 0 348.362 3.429 10 5 EGBERN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000492369902 311243001 /nfs/dbraw/zinc/24/30/01/311243001.db2.gz WTEVRPPOGDURJC-NXIHDVOMSA-N 0 0 341.323 3.394 10 5 EGBERN CC[C@@]1(O)CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501110173 311938999 /nfs/dbraw/zinc/93/89/99/311938999.db2.gz YXWCJNGRLBZTFV-QGZVFWFLSA-N 0 0 335.404 3.271 10 5 EGBERN C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000506194916 312044325 /nfs/dbraw/zinc/04/43/25/312044325.db2.gz QZMIASPFQUFBAD-AWEZNQCLSA-N 0 0 346.431 3.005 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][nH]c(CC)c1C ZINC000506328464 312047633 /nfs/dbraw/zinc/04/76/33/312047633.db2.gz AIMNTCGQCAKDOO-UHFFFAOYSA-N 0 0 348.428 3.365 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(C)c(C)cc21 ZINC000507554909 312077133 /nfs/dbraw/zinc/07/71/33/312077133.db2.gz WEHQPAVJGKVURB-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN O=C([C@H]1C[C@@H]1C(F)F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000509992773 312130267 /nfs/dbraw/zinc/13/02/67/312130267.db2.gz BJDJJIXIGDLYDQ-COPLHBTASA-N 0 0 328.340 3.070 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000510329303 312138350 /nfs/dbraw/zinc/13/83/50/312138350.db2.gz NCFPUMBNGDHMBT-YOEHRIQHSA-N 0 0 332.400 3.306 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000514183721 312226789 /nfs/dbraw/zinc/22/67/89/312226789.db2.gz XHQAMLQJPRROHH-QRTLGDNMSA-N 0 0 343.305 3.035 10 5 EGBERN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)s2)cs1 ZINC000514701477 312239430 /nfs/dbraw/zinc/23/94/30/312239430.db2.gz QTVMHSPASKMFLQ-UHFFFAOYSA-N 0 0 348.409 3.346 10 5 EGBERN Cc1cc(N[C@H](CO)C[C@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000515494727 312286021 /nfs/dbraw/zinc/28/60/21/312286021.db2.gz YKCNPLSXDIHVKA-LRDDRELGSA-N 0 0 347.415 3.021 10 5 EGBERN CCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000515563645 312289351 /nfs/dbraw/zinc/28/93/51/312289351.db2.gz CZBTTWPWQHKEDI-UHFFFAOYSA-N 0 0 347.396 3.243 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000517351912 312375868 /nfs/dbraw/zinc/37/58/68/312375868.db2.gz ZFHODIKKAINSQQ-CQSZACIVSA-N 0 0 335.404 3.058 10 5 EGBERN COc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000518930697 312433209 /nfs/dbraw/zinc/43/32/09/312433209.db2.gz BVDIZGDPXQECGB-CWTRNNRKSA-N 0 0 340.379 3.196 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000521408680 312544279 /nfs/dbraw/zinc/54/42/79/312544279.db2.gz OQENWDYIFRLSRR-ZDUSSCGKSA-N 0 0 349.337 3.059 10 5 EGBERN CNc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524694936 312671829 /nfs/dbraw/zinc/67/18/29/312671829.db2.gz JFXPIODZYDCUAD-APPDUMDISA-N 0 0 325.368 3.300 10 5 EGBERN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628395 313692846 /nfs/dbraw/zinc/69/28/46/313692846.db2.gz YBZUUFHYUZDZKF-ZUZCIYMTSA-N 0 0 349.774 3.149 10 5 EGBERN Cc1c2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2ccc1F ZINC000532145101 313760664 /nfs/dbraw/zinc/76/06/64/313760664.db2.gz KNWSRHKSLWSUEW-UHFFFAOYSA-N 0 0 332.316 3.299 10 5 EGBERN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)cc1C ZINC000532398698 313794333 /nfs/dbraw/zinc/79/43/33/313794333.db2.gz VOCPPRBVWXTEFR-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN COC(=O)CCCCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000536390428 314110786 /nfs/dbraw/zinc/11/07/86/314110786.db2.gz NDUBZLHPMXNQOS-UHFFFAOYSA-N 0 0 343.383 3.224 10 5 EGBERN COc1cc(COc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000537604218 314194528 /nfs/dbraw/zinc/19/45/28/314194528.db2.gz IIUAKRFTJVDVDG-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN C[C@@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000539293823 314304661 /nfs/dbraw/zinc/30/46/61/314304661.db2.gz UKMBUEWWNMYLFG-FZKQIMNGSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000540943182 314421518 /nfs/dbraw/zinc/42/15/18/314421518.db2.gz PYLLZQILVMBSBO-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000541114759 314436679 /nfs/dbraw/zinc/43/66/79/314436679.db2.gz FRRWDJYFDZEKSA-KBPBESRZSA-N 0 0 336.388 3.387 10 5 EGBERN CC(=O)c1ccc(Nc2cc(C)n([C@@H](C)C3CC3)n2)c([N+](=O)[O-])c1 ZINC000541332525 314451354 /nfs/dbraw/zinc/45/13/54/314451354.db2.gz XTBQZXNDRMCRCE-NSHDSACASA-N 0 0 328.372 3.439 10 5 EGBERN COc1cc(NC[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1F ZINC000541921744 314505440 /nfs/dbraw/zinc/50/54/40/314505440.db2.gz FKLGXHREOQOOND-LBPRGKRZSA-N 0 0 326.368 3.343 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000541937044 314506778 /nfs/dbraw/zinc/50/67/78/314506778.db2.gz FVZZSEDALXKMAO-XIKOKIGWSA-N 0 0 346.383 3.018 10 5 EGBERN Cc1nc(-c2ccc(CNc3ncc([N+](=O)[O-])cn3)s2)cs1 ZINC000545483575 314767126 /nfs/dbraw/zinc/76/71/26/314767126.db2.gz AHAONVACRJOAQE-UHFFFAOYSA-N 0 0 333.398 3.490 10 5 EGBERN C[C@@H](CC(F)(F)F)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545918630 314791841 /nfs/dbraw/zinc/79/18/41/314791841.db2.gz ZRQBPVIWUGQIFL-VIFPVBQESA-N 0 0 331.294 3.003 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000548494886 315017204 /nfs/dbraw/zinc/01/72/04/315017204.db2.gz BEKZASIRCIWNNC-GXSJLCMTSA-N 0 0 345.321 3.440 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000549346346 315087816 /nfs/dbraw/zinc/08/78/16/315087816.db2.gz CLEIWGDJZVZYQN-GJZGRUSLSA-N 0 0 341.415 3.500 10 5 EGBERN COc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000550950558 315138129 /nfs/dbraw/zinc/13/81/29/315138129.db2.gz ITNJMNOPGAZZHU-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN CCO[C@@H](CC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551970026 315183845 /nfs/dbraw/zinc/18/38/45/315183845.db2.gz XXRBNPGJOHKDMF-NSHDSACASA-N 0 0 331.166 3.111 10 5 EGBERN C[C@@H]1[C@@H](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563758502 316064644 /nfs/dbraw/zinc/06/46/44/316064644.db2.gz BTJJQSANHMRUOW-NWDGAFQWSA-N 0 0 330.388 3.059 10 5 EGBERN CCO[C@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000564142213 316116907 /nfs/dbraw/zinc/11/69/07/316116907.db2.gz AQHMEMVMTWQGFX-QGZVFWFLSA-N 0 0 347.415 3.186 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](O)Cc2ccccc2)n1 ZINC000564438551 316152702 /nfs/dbraw/zinc/15/27/02/316152702.db2.gz MNCHVHGDJLKGKF-OAHLLOKOSA-N 0 0 339.351 3.099 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1ccccc1 ZINC000564967691 316238579 /nfs/dbraw/zinc/23/85/79/316238579.db2.gz UNRPIMRLCGBSBV-UHFFFAOYSA-N 0 0 349.408 3.497 10 5 EGBERN COc1cc(C(=O)N[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000565062851 316258463 /nfs/dbraw/zinc/25/84/63/316258463.db2.gz PADHACUHQVQTLP-MRVPVSSYSA-N 0 0 346.330 3.369 10 5 EGBERN CNC(=O)[C@@H](CNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000566161290 316429783 /nfs/dbraw/zinc/42/97/83/316429783.db2.gz XSIDNJWYZBBZCL-CQSZACIVSA-N 0 0 345.374 3.059 10 5 EGBERN O=C1C[C@@H](c2cccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CN1 ZINC000566475273 316483391 /nfs/dbraw/zinc/48/33/91/316483391.db2.gz XIOJPZIAMXEADT-CXAGYDPISA-N 0 0 337.379 3.298 10 5 EGBERN O=C(NCCOCC1CCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000569060327 316859206 /nfs/dbraw/zinc/85/92/06/316859206.db2.gz IYJCPOQSTLRJNQ-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000570882617 317120116 /nfs/dbraw/zinc/12/01/16/317120116.db2.gz HJDPQXMGXCVIPQ-ZDUSSCGKSA-N 0 0 345.330 3.168 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000571048878 317145119 /nfs/dbraw/zinc/14/51/19/317145119.db2.gz MTYLNUXDFOXPHX-NJZAAPMLSA-N 0 0 348.399 3.096 10 5 EGBERN Cc1sc(C(=O)N2CCSC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000571864252 317258365 /nfs/dbraw/zinc/25/83/65/317258365.db2.gz ZWUJWPFZQRPHKJ-LBPRGKRZSA-N 0 0 326.443 3.322 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572377576 317331090 /nfs/dbraw/zinc/33/10/90/317331090.db2.gz JKBOUPAHULYREG-GDBMZVCRSA-N 0 0 339.395 3.418 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCc1cnn(-c2ccccc2)c1 ZINC000572761453 317387752 /nfs/dbraw/zinc/38/77/52/317387752.db2.gz OEXPGGPJCYWAQP-UHFFFAOYSA-N 0 0 338.367 3.444 10 5 EGBERN Cc1cc(NC2CC([NH+]3CCCCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574328074 317586633 /nfs/dbraw/zinc/58/66/33/317586633.db2.gz OQQBDUMKAROJMF-UHFFFAOYSA-N 0 0 333.388 3.030 10 5 EGBERN CC(C)c1nnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000179241543 323376886 /nfs/dbraw/zinc/37/68/86/323376886.db2.gz UMHMGQFXLMEOOJ-UHFFFAOYSA-N 0 0 329.404 3.011 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000183083056 323593936 /nfs/dbraw/zinc/59/39/36/323593936.db2.gz SFIQDKFOZWFYTH-AWEZNQCLSA-N 0 0 336.388 3.069 10 5 EGBERN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183207473 323601592 /nfs/dbraw/zinc/60/15/92/323601592.db2.gz RYOURPZAEQFYCJ-SFHVURJKSA-N 0 0 340.379 3.003 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185273587 323695854 /nfs/dbraw/zinc/69/58/54/323695854.db2.gz NQZCLEDQUBWIQD-GFCCVEGCSA-N 0 0 348.378 3.006 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cscn3)no2)c1 ZINC000350568771 324092007 /nfs/dbraw/zinc/09/20/07/324092007.db2.gz RYWLTJQZMCLMSI-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000350610800 324106671 /nfs/dbraw/zinc/10/66/71/324106671.db2.gz NFTOHDPWSZPVGQ-IUODEOHRSA-N 0 0 346.387 3.163 10 5 EGBERN C[C@H](c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1)C1CC1 ZINC000351094635 324169306 /nfs/dbraw/zinc/16/93/06/324169306.db2.gz REJSDRYLVGYQLX-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C(F)F)cc1 ZINC000495126874 324377976 /nfs/dbraw/zinc/37/79/76/324377976.db2.gz GXVKAWZUPHVUFI-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](CO)C2)c(Br)c1 ZINC000311419330 456589152 /nfs/dbraw/zinc/58/91/52/456589152.db2.gz NLXGVQUQZHKDFE-UWVGGRQHSA-N 0 0 329.194 3.320 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000576406684 324609324 /nfs/dbraw/zinc/60/93/24/324609324.db2.gz IRBAODGUIITMRC-UKRRQHHQSA-N 0 0 349.406 3.405 10 5 EGBERN C[C@]12CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c43)C[C@H]1C2(F)F ZINC000579144235 325069732 /nfs/dbraw/zinc/06/97/32/325069732.db2.gz PYGJMUXUCIQBKQ-DOMZBBRYSA-N 0 0 335.310 3.193 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580142687 325207026 /nfs/dbraw/zinc/20/70/26/325207026.db2.gz FTSYONWLKFGZSN-GFCCVEGCSA-N 0 0 326.352 3.296 10 5 EGBERN C[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000580509682 325258314 /nfs/dbraw/zinc/25/83/14/325258314.db2.gz REMUCNPVNMNHHU-LLVKDONJSA-N 0 0 337.339 3.122 10 5 EGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000580534302 325263783 /nfs/dbraw/zinc/26/37/83/325263783.db2.gz QJPCNNGKOONNIP-BMIGLBTASA-N 0 0 335.310 3.234 10 5 EGBERN CC(C)(C)OCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000580873640 325303720 /nfs/dbraw/zinc/30/37/20/325303720.db2.gz PCQUPNZELKEXRO-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000582193732 325421745 /nfs/dbraw/zinc/42/17/45/325421745.db2.gz ZEAJWJZQQJPAOX-SFHVURJKSA-N 0 0 343.358 3.375 10 5 EGBERN CO[C@@H](C)c1cccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000582356036 325435205 /nfs/dbraw/zinc/43/52/05/325435205.db2.gz RRDPXDPCGGRFQK-BBRMVZONSA-N 0 0 346.383 3.154 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000157980799 455256882 /nfs/dbraw/zinc/25/68/82/455256882.db2.gz KPIMSCNZFPEIJD-UHFFFAOYSA-N 0 0 334.759 3.116 10 5 EGBERN O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1CCCCC1 ZINC000000376170 452574719 /nfs/dbraw/zinc/57/47/19/452574719.db2.gz SEYSDTLNIFMGOX-UHFFFAOYSA-N 0 0 330.340 3.393 10 5 EGBERN CCOc1ccc(C(=O)N(C)Cc2ccn(CC)c2)cc1[N+](=O)[O-] ZINC000616482696 460567996 /nfs/dbraw/zinc/56/79/96/460567996.db2.gz HOODZHBHKMKGRJ-UHFFFAOYSA-N 0 0 331.372 3.087 10 5 EGBERN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000005173392 452842508 /nfs/dbraw/zinc/84/25/08/452842508.db2.gz XIXVENUFQBSAML-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000600711376 460574935 /nfs/dbraw/zinc/57/49/35/460574935.db2.gz SROWNUDJNOYJEQ-VIFPVBQESA-N 0 0 345.380 3.379 10 5 EGBERN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccc(F)cc21 ZINC000616516191 460576303 /nfs/dbraw/zinc/57/63/03/460576303.db2.gz JHYDSVSHBBIERG-UHFFFAOYSA-N 0 0 344.346 3.006 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000007035620 453019623 /nfs/dbraw/zinc/01/96/23/453019623.db2.gz YUJRIHZWAWJRJT-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(Cc2cccs2)C1 ZINC000600762528 460595314 /nfs/dbraw/zinc/59/53/14/460595314.db2.gz GOQXJSJREYPJSE-UHFFFAOYSA-N 0 0 348.449 3.450 10 5 EGBERN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000600777012 460599366 /nfs/dbraw/zinc/59/93/66/460599366.db2.gz SQTRQZKMUMAJFE-AWEZNQCLSA-N 0 0 344.342 3.372 10 5 EGBERN CNc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000016174403 453597277 /nfs/dbraw/zinc/59/72/77/453597277.db2.gz MCKCRCYSJAFORP-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccncc3)cc2[N+](=O)[O-])C1 ZINC000017585246 453636212 /nfs/dbraw/zinc/63/62/12/453636212.db2.gz OZCDBKACUNDIKD-CYBMUJFWSA-N 0 0 340.383 3.478 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600807892 460612713 /nfs/dbraw/zinc/61/27/13/460612713.db2.gz WZGAUZVPSZVGFZ-ZFDPJTLLSA-N 0 0 348.399 3.430 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000025372673 453768554 /nfs/dbraw/zinc/76/85/54/453768554.db2.gz YAHPDILLLAYVEO-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnc2ccccc2n1 ZINC000025833531 453787754 /nfs/dbraw/zinc/78/77/54/453787754.db2.gz YOFXJBZQTHMDAT-GFCCVEGCSA-N 0 0 336.351 3.371 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000026760253 453805289 /nfs/dbraw/zinc/80/52/89/453805289.db2.gz IMOIGLLVGISWNE-UHFFFAOYSA-N 0 0 327.384 3.039 10 5 EGBERN CCOc1cc(OC[C@H](O)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000190691250 455367801 /nfs/dbraw/zinc/36/78/01/455367801.db2.gz VWQPLRTXPWKIAU-CQSZACIVSA-N 0 0 347.367 3.121 10 5 EGBERN CCCNC(=O)c1ccccc1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000028276594 453823024 /nfs/dbraw/zinc/82/30/24/453823024.db2.gz RBLIVOUWODMUBO-UHFFFAOYSA-N 0 0 341.367 3.007 10 5 EGBERN CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000029483664 453829224 /nfs/dbraw/zinc/82/92/24/453829224.db2.gz KEQAPRNLCMPMKQ-MRXNPFEDSA-N 0 0 343.358 3.292 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081450082 453872910 /nfs/dbraw/zinc/87/29/10/453872910.db2.gz IBQSETHAANIPSK-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053368362 453874604 /nfs/dbraw/zinc/87/46/04/453874604.db2.gz IBBMZYZRLKOMKU-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](C)NC(=O)c1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000066809323 453875855 /nfs/dbraw/zinc/87/58/55/453875855.db2.gz QYHCLCYWUUYMJU-GFCCVEGCSA-N 0 0 328.372 3.130 10 5 EGBERN Cc1ccc(C(=O)N2CCC(Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000066813053 453876501 /nfs/dbraw/zinc/87/65/01/453876501.db2.gz JHEBIYLSVAIYKY-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067046846 453897107 /nfs/dbraw/zinc/89/71/07/453897107.db2.gz IRTDMWMGGQZBRQ-NSHDSACASA-N 0 0 347.396 3.080 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccccc1[N+](=O)[O-] ZINC000083011825 453932476 /nfs/dbraw/zinc/93/24/76/453932476.db2.gz MALVDBRFOOFEPU-UHFFFAOYSA-N 0 0 331.397 3.202 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000054751777 453945262 /nfs/dbraw/zinc/94/52/62/453945262.db2.gz NZBVWROOCCCZOY-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000083233666 453945619 /nfs/dbraw/zinc/94/56/19/453945619.db2.gz GBDMHEHSXBCEQY-UHFFFAOYSA-N 0 0 330.388 3.087 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1c1ccccc1 ZINC000067812468 453968532 /nfs/dbraw/zinc/96/85/32/453968532.db2.gz IIMIGDFUVWBQSJ-ROUUACIJSA-N 0 0 339.395 3.459 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067869061 453975195 /nfs/dbraw/zinc/97/51/95/453975195.db2.gz ORVRCUALMQABNU-IAGOWNOFSA-N 0 0 335.363 3.222 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000055972212 454030256 /nfs/dbraw/zinc/03/02/56/454030256.db2.gz MRRFIOOETYKZHJ-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000076972245 454055695 /nfs/dbraw/zinc/05/56/95/454055695.db2.gz FQGSYWLROJDAHZ-HNNXBMFYSA-N 0 0 325.368 3.230 10 5 EGBERN CCOc1ccc(C(=O)N(C)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000159827110 455408074 /nfs/dbraw/zinc/40/80/74/455408074.db2.gz JSUKSKWETFXMSF-UHFFFAOYSA-N 0 0 348.330 3.418 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087240236 454072644 /nfs/dbraw/zinc/07/26/44/454072644.db2.gz UBGTTYFIQCREFM-QGZVFWFLSA-N 0 0 340.379 3.394 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000184601824 455411449 /nfs/dbraw/zinc/41/14/49/455411449.db2.gz CBNAZPIQBOPLHF-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000077307405 454088449 /nfs/dbraw/zinc/08/84/49/454088449.db2.gz DGYQXMBKIHYHKM-UHFFFAOYSA-N 0 0 325.368 3.398 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000088209998 454091757 /nfs/dbraw/zinc/09/17/57/454091757.db2.gz XJFFVQCLRJKXLV-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccccc12 ZINC000088605401 454114688 /nfs/dbraw/zinc/11/46/88/454114688.db2.gz CPDNDPQZBBETJR-UHFFFAOYSA-N 0 0 334.379 3.405 10 5 EGBERN CC(C)(C)c1nsc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000069536106 454117378 /nfs/dbraw/zinc/11/73/78/454117378.db2.gz BQFRUJGRGSWAPB-UHFFFAOYSA-N 0 0 345.384 3.477 10 5 EGBERN O=C(C/C=C/c1ccc(F)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089303743 454135046 /nfs/dbraw/zinc/13/50/46/454135046.db2.gz LYTCHWKVNKERJP-NSCUHMNNSA-N 0 0 328.343 3.496 10 5 EGBERN Cc1sc(C(=O)N(C)CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000045139984 454141402 /nfs/dbraw/zinc/14/14/02/454141402.db2.gz CWAZZIBNFMNLFQ-UHFFFAOYSA-N 0 0 334.397 3.424 10 5 EGBERN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccncc1[N+](=O)[O-] ZINC000058200912 454170976 /nfs/dbraw/zinc/17/09/76/454170976.db2.gz KVYAUJTWNNNABT-NSHDSACASA-N 0 0 347.396 3.426 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])nc1)c1nc(-c2ccccc2)no1 ZINC000089641089 454171981 /nfs/dbraw/zinc/17/19/81/454171981.db2.gz MMNBQAVAUVRNLJ-LLVKDONJSA-N 0 0 325.328 3.255 10 5 EGBERN CSCCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182049476 455424489 /nfs/dbraw/zinc/42/44/89/455424489.db2.gz RENNCKROYKUTFX-UHFFFAOYSA-N 0 0 334.344 3.069 10 5 EGBERN O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149523 454201792 /nfs/dbraw/zinc/20/17/92/454201792.db2.gz DXZUXHYSJIMODS-GJZGRUSLSA-N 0 0 326.327 3.427 10 5 EGBERN COc1cc(N[C@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000078261055 454219264 /nfs/dbraw/zinc/21/92/64/454219264.db2.gz ZNCJMVDYOBMGPN-HNNXBMFYSA-N 0 0 341.367 3.211 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000046183619 454227199 /nfs/dbraw/zinc/22/71/99/454227199.db2.gz MGHNYOSFXSTBIS-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN CCOc1cc(C(=O)NCCC2=CCCC2)c([N+](=O)[O-])cc1OC ZINC000131061649 454232717 /nfs/dbraw/zinc/23/27/17/454232717.db2.gz UBJDLMSYDZVYGT-UHFFFAOYSA-N 0 0 334.372 3.232 10 5 EGBERN Cc1nc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000071856953 454233179 /nfs/dbraw/zinc/23/31/79/454233179.db2.gz JPYKPHFUBSWLFV-UHFFFAOYSA-N 0 0 345.359 3.006 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H](c2cccnc2)c2ccc(F)c(F)c2)nc1 ZINC000095940388 454234229 /nfs/dbraw/zinc/23/42/29/454234229.db2.gz OGNJMRQXEVSCGH-OAHLLOKOSA-N 0 0 343.293 3.260 10 5 EGBERN Cc1c([N+](=O)[O-])ccc2c1N1Cc3ccc([N+](=O)[O-])c(C)c3N(C2)C1 ZINC000059153384 454254085 /nfs/dbraw/zinc/25/40/85/454254085.db2.gz IBCPOZQOGVBXHV-UHFFFAOYSA-N 0 0 340.339 3.418 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120220694 454273748 /nfs/dbraw/zinc/27/37/48/454273748.db2.gz LLWXNYHJELGLSD-RDTXWAMCSA-N 0 0 347.415 3.371 10 5 EGBERN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000078579154 454279762 /nfs/dbraw/zinc/27/97/62/454279762.db2.gz NZLUNCFDCCVEBG-SECBINFHSA-N 0 0 335.310 3.188 10 5 EGBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000046864671 454294389 /nfs/dbraw/zinc/29/43/89/454294389.db2.gz YKUHDQSMVQOEJE-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090221839 454294393 /nfs/dbraw/zinc/29/43/93/454294393.db2.gz NKLWFDQDCURABV-AWEZNQCLSA-N 0 0 338.360 3.164 10 5 EGBERN CCC[C@@H](C)CS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090221997 454294574 /nfs/dbraw/zinc/29/45/74/454294574.db2.gz DLDJZIBQUOBUCZ-DOMZBBRYSA-N 0 0 328.434 3.402 10 5 EGBERN CCC[C@H](N[C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223193 454295787 /nfs/dbraw/zinc/29/57/87/454295787.db2.gz XKXIFDOHWSTMJE-HOTGVXAUSA-N 0 0 329.404 3.461 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 ZINC000131905184 454296987 /nfs/dbraw/zinc/29/69/87/454296987.db2.gz YCSROCWKNDTEGD-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN Cn1c(CNc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000090371072 454298991 /nfs/dbraw/zinc/29/89/91/454298991.db2.gz XBAMEMUNUIWDET-UHFFFAOYSA-N 0 0 327.319 3.142 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000072513859 454301474 /nfs/dbraw/zinc/30/14/74/454301474.db2.gz HKXUZBIULJFONC-UHFFFAOYSA-N 0 0 334.353 3.394 10 5 EGBERN CC[C@H](NC(=O)CCCNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090467594 454310544 /nfs/dbraw/zinc/31/05/44/454310544.db2.gz YIOIDORRIYTORX-HNNXBMFYSA-N 0 0 349.431 3.105 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000061434153 454339796 /nfs/dbraw/zinc/33/97/96/454339796.db2.gz PRVJZEWGAAXMMW-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN CCN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000047265345 454348352 /nfs/dbraw/zinc/34/83/52/454348352.db2.gz KLFLKRUGBUPQLY-CYBMUJFWSA-N 0 0 334.397 3.318 10 5 EGBERN Cc1cccc(C(C)C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000096778215 454381571 /nfs/dbraw/zinc/38/15/71/454381571.db2.gz ZZGUYXXAQSTISB-UHFFFAOYSA-N 0 0 343.383 3.135 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000121359980 454426035 /nfs/dbraw/zinc/42/60/35/454426035.db2.gz KKTKREGTDDYQPH-CQSZACIVSA-N 0 0 336.344 3.009 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000133509981 454433061 /nfs/dbraw/zinc/43/30/61/454433061.db2.gz AKXWERDKOZRNGB-UHFFFAOYSA-N 0 0 337.376 3.284 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC(Cn3cccn3)CC2)c(Cl)c1 ZINC000182146333 455446739 /nfs/dbraw/zinc/44/67/39/455446739.db2.gz BJQVGZFDDCKQFF-UHFFFAOYSA-N 0 0 334.807 3.357 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1C ZINC000048804386 454516781 /nfs/dbraw/zinc/51/67/81/454516781.db2.gz WGKKEMCRKODARA-ZDUSSCGKSA-N 0 0 341.367 3.028 10 5 EGBERN Cc1c(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cccc1[N+](=O)[O-] ZINC000074099535 454531792 /nfs/dbraw/zinc/53/17/92/454531792.db2.gz UKRVGANYERHVBW-OAHLLOKOSA-N 0 0 341.367 3.124 10 5 EGBERN CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134565313 454560591 /nfs/dbraw/zinc/56/05/91/454560591.db2.gz YDYKRSLNXYYXIM-NSHDSACASA-N 0 0 332.447 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)cc1OC(F)F ZINC000092608536 454593849 /nfs/dbraw/zinc/59/38/49/454593849.db2.gz GFCSCZKAWDYNOH-UKRRQHHQSA-N 0 0 336.294 3.266 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092686733 454611177 /nfs/dbraw/zinc/61/11/77/454611177.db2.gz HULBGZMKQBPZGP-MNOVXSKESA-N 0 0 343.330 3.042 10 5 EGBERN Cc1cc(NCC2(CCO)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080669257 454616462 /nfs/dbraw/zinc/61/64/62/454616462.db2.gz ZMTYXVFVDKMHAV-UHFFFAOYSA-N 0 0 328.796 3.148 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000080804832 454636891 /nfs/dbraw/zinc/63/68/91/454636891.db2.gz SGLWJVGNOYDVEI-LLVKDONJSA-N 0 0 349.412 3.421 10 5 EGBERN COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123549079 454651769 /nfs/dbraw/zinc/65/17/69/454651769.db2.gz ZCKBTHMKPXFTRN-MRXNPFEDSA-N 0 0 340.379 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000135265183 454655119 /nfs/dbraw/zinc/65/51/19/454655119.db2.gz DFXFKOQOYJRHLQ-RISCZKNCSA-N 0 0 343.358 3.456 10 5 EGBERN O=C(Cc1cccc(O)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135274596 454656312 /nfs/dbraw/zinc/65/63/12/454656312.db2.gz DKRXPAFJIPHBSH-UHFFFAOYSA-N 0 0 326.352 3.034 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000080972412 454663695 /nfs/dbraw/zinc/66/36/95/454663695.db2.gz BJGLCKZYUJCLOL-DOMZBBRYSA-N 0 0 329.400 3.256 10 5 EGBERN C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1O ZINC000092977642 454664566 /nfs/dbraw/zinc/66/45/66/454664566.db2.gz PXKVJOUHVLHRKY-UGSOOPFHSA-N 0 0 340.379 3.033 10 5 EGBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000135355828 454668406 /nfs/dbraw/zinc/66/84/06/454668406.db2.gz LCKNFQJCDOIEKD-KRWDZBQOSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000135415080 454674565 /nfs/dbraw/zinc/67/45/65/454674565.db2.gz BODWZYJFBVTHAD-OAHLLOKOSA-N 0 0 328.372 3.220 10 5 EGBERN COc1ccc(OC)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000161574766 454704757 /nfs/dbraw/zinc/70/47/57/454704757.db2.gz WCYYBBDPDOOUCM-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152758528 454721708 /nfs/dbraw/zinc/72/17/08/454721708.db2.gz BODZUCVCLDXCMD-OAHLLOKOSA-N 0 0 340.445 3.325 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]1CCCO ZINC000162453325 454776492 /nfs/dbraw/zinc/77/64/92/454776492.db2.gz ZAIFJRFBUBECAN-CYBMUJFWSA-N 0 0 343.221 3.094 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000176741496 454777982 /nfs/dbraw/zinc/77/79/82/454777982.db2.gz OUVFXLZBNHITKK-CYBMUJFWSA-N 0 0 343.383 3.212 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cc(F)ccc21 ZINC000153320297 454782549 /nfs/dbraw/zinc/78/25/49/454782549.db2.gz QDSXYWUARIYUQU-INIZCTEOSA-N 0 0 328.343 3.470 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1Sc1ncn(-c2ccccc2)n1 ZINC000153550945 454805757 /nfs/dbraw/zinc/80/57/57/454805757.db2.gz DGQMBSLVDVPUAO-UHFFFAOYSA-N 0 0 333.760 3.375 10 5 EGBERN O=C(NCCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000162893270 454808051 /nfs/dbraw/zinc/80/80/51/454808051.db2.gz GDNUCPXHQURTGB-UHFFFAOYSA-N 0 0 334.759 3.195 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000125272756 454809716 /nfs/dbraw/zinc/80/97/16/454809716.db2.gz MSLVDHRWRARXNE-MRVPVSSYSA-N 0 0 338.410 3.418 10 5 EGBERN CCc1ccc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000125293300 454811808 /nfs/dbraw/zinc/81/18/08/454811808.db2.gz ASWVEKZAPUNCDY-UHFFFAOYSA-N 0 0 348.424 3.215 10 5 EGBERN CC(C)c1noc(CCCNc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000153637466 454815600 /nfs/dbraw/zinc/81/56/00/454815600.db2.gz PLAPQMLNDMULEB-UHFFFAOYSA-N 0 0 325.756 3.194 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000109263774 454824593 /nfs/dbraw/zinc/82/45/93/454824593.db2.gz UWPBDKIFKGDKTD-MRVPVSSYSA-N 0 0 338.314 3.040 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177140806 454827441 /nfs/dbraw/zinc/82/74/41/454827441.db2.gz QFIHJRFOXWGEBK-ZDUSSCGKSA-N 0 0 348.790 3.058 10 5 EGBERN O=C1NCCCN1c1cccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000153855836 454840313 /nfs/dbraw/zinc/84/03/13/454840313.db2.gz XUNYCYXODYNMFK-UHFFFAOYSA-N 0 0 347.762 3.307 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110450439 454846475 /nfs/dbraw/zinc/84/64/75/454846475.db2.gz ZABZUTPCYXIFLP-UKRRQHHQSA-N 0 0 326.352 3.137 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000177337472 454853470 /nfs/dbraw/zinc/85/34/70/454853470.db2.gz HHIZVULZZMOQDN-LBPRGKRZSA-N 0 0 348.790 3.050 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150794919 454893567 /nfs/dbraw/zinc/89/35/67/454893567.db2.gz LMMVHDFLDULAIP-DLBZAZTESA-N 0 0 346.427 3.334 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000177800459 454907698 /nfs/dbraw/zinc/90/76/98/454907698.db2.gz NBSWRGRVAJEZPX-OFQRWUPVSA-N 0 0 348.399 3.142 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167841902 454924212 /nfs/dbraw/zinc/92/42/12/454924212.db2.gz UMJQIFIZIWMEGJ-LSDHHAIUSA-N 0 0 329.404 3.325 10 5 EGBERN CSc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000151199178 454952010 /nfs/dbraw/zinc/95/20/10/454952010.db2.gz IOLUHLMHUHFLPF-UHFFFAOYSA-N 0 0 331.397 3.259 10 5 EGBERN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000151215628 454953408 /nfs/dbraw/zinc/95/34/08/454953408.db2.gz NTPPUZYFBCBXNP-JTQLQIEISA-N 0 0 336.373 3.333 10 5 EGBERN CCOC(=O)C1(N(C)Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000151212477 454953616 /nfs/dbraw/zinc/95/36/16/454953616.db2.gz IVOORXFOUPDPNP-UHFFFAOYSA-N 0 0 326.418 3.354 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)s1 ZINC000114499662 454959028 /nfs/dbraw/zinc/95/90/28/454959028.db2.gz YTGGARNNUMZIAK-CQSZACIVSA-N 0 0 342.442 3.167 10 5 EGBERN CC[C@@H](NC(=O)c1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000127394346 454960219 /nfs/dbraw/zinc/96/02/19/454960219.db2.gz MYHHTVOVQGMYBN-OAHLLOKOSA-N 0 0 328.372 3.009 10 5 EGBERN Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc([N+](=O)[O-])c1 ZINC000170801253 454980027 /nfs/dbraw/zinc/98/00/27/454980027.db2.gz SCCYWITXEBXHSB-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@H]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000115277551 455008775 /nfs/dbraw/zinc/00/87/75/455008775.db2.gz ANSAFCLIZZSGGU-IUODEOHRSA-N 0 0 336.436 3.131 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155519780 455011356 /nfs/dbraw/zinc/01/13/56/455011356.db2.gz UPOLLHOTGUCNPH-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN COc1cc(F)ccc1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000115550606 455019387 /nfs/dbraw/zinc/01/93/87/455019387.db2.gz ZYVHLSABFLNPIO-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000151775948 455028523 /nfs/dbraw/zinc/02/85/23/455028523.db2.gz QZVRNOGQHRTEMV-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN CC(C)c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128462009 455058828 /nfs/dbraw/zinc/05/88/28/455058828.db2.gz GYOIDVNEKXFSNP-HNNXBMFYSA-N 0 0 328.416 3.441 10 5 EGBERN COC(=O)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000118107198 455098839 /nfs/dbraw/zinc/09/88/39/455098839.db2.gz VRGIVGALBDBOOJ-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000129517525 455114957 /nfs/dbraw/zinc/11/49/57/455114957.db2.gz KAPASXHJXPZBOC-UHFFFAOYSA-N 0 0 346.774 3.151 10 5 EGBERN Cc1nc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000172237657 455138035 /nfs/dbraw/zinc/13/80/35/455138035.db2.gz JPAPNNUKUCNTDB-UHFFFAOYSA-N 0 0 346.817 3.128 10 5 EGBERN COC(=O)c1cc(F)c(F)cc1NCc1csc([N+](=O)[O-])c1 ZINC000156772245 455149808 /nfs/dbraw/zinc/14/98/08/455149808.db2.gz DDQDJZXCRIZDKG-UHFFFAOYSA-N 0 0 328.296 3.333 10 5 EGBERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172441782 455154384 /nfs/dbraw/zinc/15/43/84/455154384.db2.gz OWXRMYAEKVFKAT-CABCVRRESA-N 0 0 347.418 3.162 10 5 EGBERN COc1ccc(CSCC(=O)NC[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000172445600 455154619 /nfs/dbraw/zinc/15/46/19/455154619.db2.gz BGVODEKHTOCQCM-LBPRGKRZSA-N 0 0 340.445 3.245 10 5 EGBERN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000157445450 455195478 /nfs/dbraw/zinc/19/54/78/455195478.db2.gz SSTIBBWCBMBLLE-LLVKDONJSA-N 0 0 330.388 3.160 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000180589050 455203636 /nfs/dbraw/zinc/20/36/36/455203636.db2.gz HTPUDYLDUSWVOT-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000173523808 455301082 /nfs/dbraw/zinc/30/10/82/455301082.db2.gz NXIDYNCZHKONLE-LLVKDONJSA-N 0 0 330.315 3.470 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000190418551 455311797 /nfs/dbraw/zinc/31/17/97/455311797.db2.gz DCWSLZBQIZRDDS-ZANVPECISA-N 0 0 327.768 3.137 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174528293 455400397 /nfs/dbraw/zinc/40/03/97/455400397.db2.gz ZZDJFQCHCGGOGA-KRWDZBQOSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000246042114 455416899 /nfs/dbraw/zinc/41/68/99/455416899.db2.gz BJIZEOFZCTZYGL-QMTHXVAHSA-N 0 0 338.410 3.038 10 5 EGBERN Cn1c(CSc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1 ZINC000160224522 455439406 /nfs/dbraw/zinc/43/94/06/455439406.db2.gz ZLHOSEWDZQRNQC-UHFFFAOYSA-N 0 0 327.369 3.078 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC(Nc3cccnn3)CC2)c(Cl)c1 ZINC000182134993 455443155 /nfs/dbraw/zinc/44/31/55/455443155.db2.gz MOZJJTVQHCMCEN-UHFFFAOYSA-N 0 0 347.806 3.115 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(Cl)cn1 ZINC000182157644 455448753 /nfs/dbraw/zinc/44/87/53/455448753.db2.gz ACFPCMDCCLOXOK-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000246265295 455460198 /nfs/dbraw/zinc/46/01/98/455460198.db2.gz AJSQJCLYHURUDX-JRPNMDOOSA-N 0 0 328.372 3.264 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccccc2Cl)n1 ZINC000191502485 455491938 /nfs/dbraw/zinc/49/19/38/455491938.db2.gz MNGZKNWRKNLFRE-SNVBAGLBSA-N 0 0 336.779 3.298 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)Nc2onc(C)c2C)cc1SC ZINC000267088309 455499640 /nfs/dbraw/zinc/49/96/40/455499640.db2.gz DEWAQBDYDXIYPT-UHFFFAOYSA-N 0 0 337.357 3.182 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000185104596 455502009 /nfs/dbraw/zinc/50/20/09/455502009.db2.gz UFOWVJHHFMSEBS-CYBMUJFWSA-N 0 0 335.331 3.169 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)n1 ZINC000191658738 455507370 /nfs/dbraw/zinc/50/73/70/455507370.db2.gz BEBHJCWOTIWREU-UHFFFAOYSA-N 0 0 341.327 3.082 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC2CCC2)c2ccccc2)n1 ZINC000191661908 455508313 /nfs/dbraw/zinc/50/83/13/455508313.db2.gz MBVNHYGVRJIPCO-UHFFFAOYSA-N 0 0 328.372 3.258 10 5 EGBERN CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000185150331 455510984 /nfs/dbraw/zinc/51/09/84/455510984.db2.gz IJWOWWZMTPSAQP-UHFFFAOYSA-N 0 0 330.344 3.124 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160942885 455515565 /nfs/dbraw/zinc/51/55/65/455515565.db2.gz BFTIAKXZBLCZGM-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN CC[C@@H](NC(=O)NCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000176047518 455533225 /nfs/dbraw/zinc/53/32/25/455533225.db2.gz KQQKLGKNRGZDHB-CYBMUJFWSA-N 0 0 334.401 3.044 10 5 EGBERN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124444 455537066 /nfs/dbraw/zinc/53/70/66/455537066.db2.gz IRPFSHWRSZVQDR-MNOVXSKESA-N 0 0 334.401 3.119 10 5 EGBERN Cc1sc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1[N+](=O)[O-] ZINC000185390143 455553014 /nfs/dbraw/zinc/55/30/14/455553014.db2.gz UWRBKJWBTGEMQX-GFCCVEGCSA-N 0 0 334.353 3.033 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cc[nH]n1 ZINC000283927502 455612362 /nfs/dbraw/zinc/61/23/62/455612362.db2.gz HASRXQNGZKWOPI-ZDUSSCGKSA-N 0 0 335.751 3.340 10 5 EGBERN Cc1cccc([C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000271399441 455623015 /nfs/dbraw/zinc/62/30/15/455623015.db2.gz MIFIOGNTIOSOAD-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccsc3)C2)c(Cl)c1 ZINC000268239209 455627607 /nfs/dbraw/zinc/62/76/07/455627607.db2.gz WNMLTQJDOQGIRO-LBPRGKRZSA-N 0 0 325.777 3.283 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c1[N+](=O)[O-] ZINC000192619859 455655821 /nfs/dbraw/zinc/65/58/21/455655821.db2.gz GSWPQXKVEQYKRW-GFCCVEGCSA-N 0 0 332.360 3.149 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccs3)C2)c(Cl)c1 ZINC000268354217 455660240 /nfs/dbraw/zinc/66/02/40/455660240.db2.gz AJEIGYLETKVUBR-LLVKDONJSA-N 0 0 325.777 3.283 10 5 EGBERN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271591314 455694360 /nfs/dbraw/zinc/69/43/60/455694360.db2.gz FZRDKERMSYPTQD-FZKQIMNGSA-N 0 0 339.395 3.265 10 5 EGBERN C[C@H](NC(=O)NCC1(O)CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271673870 455719228 /nfs/dbraw/zinc/71/92/28/455719228.db2.gz AKEVTLDAYDSKOU-ZDUSSCGKSA-N 0 0 335.404 3.040 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCc1nccs1 ZINC000277968189 455723164 /nfs/dbraw/zinc/72/31/64/455723164.db2.gz IJBKYJOUZBHTNJ-UHFFFAOYSA-N 0 0 339.804 3.376 10 5 EGBERN C[C@H](NC(=O)N1CCc2ccsc2C1)c1ccccc1[N+](=O)[O-] ZINC000271708441 455729114 /nfs/dbraw/zinc/72/91/14/455729114.db2.gz UQAHDJDIJYFBQI-NSHDSACASA-N 0 0 331.397 3.485 10 5 EGBERN CCOc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268981280 455752325 /nfs/dbraw/zinc/75/23/25/455752325.db2.gz OVLIWUTVKALRHZ-ZDUSSCGKSA-N 0 0 343.383 3.283 10 5 EGBERN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859319 455789807 /nfs/dbraw/zinc/78/98/07/455789807.db2.gz YICNAPWMONUXRB-KGLIPLIRSA-N 0 0 348.424 3.108 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H](C)N1C ZINC000293899271 455799890 /nfs/dbraw/zinc/79/98/90/455799890.db2.gz FBUUCRRBXILNNP-OKILXGFUSA-N 0 0 349.434 3.258 10 5 EGBERN CC(C)C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271976525 455811078 /nfs/dbraw/zinc/81/10/78/455811078.db2.gz LDXFIUYVMPODKI-JSGCOSHPSA-N 0 0 345.399 3.400 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)C1CCCCC1 ZINC000194207331 455815185 /nfs/dbraw/zinc/81/51/85/455815185.db2.gz USEGPAOEGYJCSF-UHFFFAOYSA-N 0 0 342.399 3.153 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000272179492 455868477 /nfs/dbraw/zinc/86/84/77/455868477.db2.gz ZYYPOTPIEMHOMX-OCCSQVGLSA-N 0 0 340.807 3.117 10 5 EGBERN Cn1nccc1C1=CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000285674284 455894390 /nfs/dbraw/zinc/89/43/90/455894390.db2.gz QPRWAARYQCLXKP-UHFFFAOYSA-N 0 0 332.791 3.271 10 5 EGBERN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270759365 456032658 /nfs/dbraw/zinc/03/26/58/456032658.db2.gz FBTSWUYTWLZUCW-HUUCEWRRSA-N 0 0 342.399 3.127 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000296828759 456047399 /nfs/dbraw/zinc/04/73/99/456047399.db2.gz HJXXDOGRKZVWTE-UWVGGRQHSA-N 0 0 345.321 3.288 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1c1ccncc1 ZINC000601104399 460712131 /nfs/dbraw/zinc/71/21/31/460712131.db2.gz VRBIXMYMMORSTN-SNVBAGLBSA-N 0 0 341.293 3.084 10 5 EGBERN Cc1ccc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262718736 456055863 /nfs/dbraw/zinc/05/58/63/456055863.db2.gz UCCOOPFFENASHQ-KRWDZBQOSA-N 0 0 342.395 3.469 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000297026824 456095502 /nfs/dbraw/zinc/09/55/02/456095502.db2.gz NKDKIRIHWVZZQS-CYBMUJFWSA-N 0 0 340.807 3.444 10 5 EGBERN NC(=O)[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301354969 456098008 /nfs/dbraw/zinc/09/80/08/456098008.db2.gz KMECHWQBEMVDTA-SCZZXKLOSA-N 0 0 331.294 3.070 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000301371796 456101935 /nfs/dbraw/zinc/10/19/35/456101935.db2.gz VMUYBOVWGMKQOZ-MRXNPFEDSA-N 0 0 333.363 3.457 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C2CC2)n1 ZINC000297072129 456109009 /nfs/dbraw/zinc/10/90/09/456109009.db2.gz ULJYKXQUQLUVGJ-UHFFFAOYSA-N 0 0 326.356 3.231 10 5 EGBERN CCOc1cc(NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000301439811 456115809 /nfs/dbraw/zinc/11/58/09/456115809.db2.gz MBAUPTRZKWTVDK-CYBMUJFWSA-N 0 0 330.340 3.245 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000301451156 456118565 /nfs/dbraw/zinc/11/85/65/456118565.db2.gz QEIMEEDVGVWHEQ-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301539957 456140988 /nfs/dbraw/zinc/14/09/88/456140988.db2.gz JTGKLJAWITZUGW-GHIWOLQHSA-N 0 0 326.418 3.095 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000188854302 456151397 /nfs/dbraw/zinc/15/13/97/456151397.db2.gz WDGFAISTBMXEDR-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN COC(=O)c1cc(NCc2ccccc2OC)cc(C)c1[N+](=O)[O-] ZINC000301582620 456152817 /nfs/dbraw/zinc/15/28/17/456152817.db2.gz UAQUWPNYUBUJJM-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CCc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Br)[nH]1 ZINC000281217093 456167774 /nfs/dbraw/zinc/16/77/74/456167774.db2.gz OCHUIGFRQMIXJN-ZETCQYMHSA-N 0 0 340.181 3.211 10 5 EGBERN CCc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Br)[nH]1 ZINC000281217091 456167825 /nfs/dbraw/zinc/16/78/25/456167825.db2.gz OCHUIGFRQMIXJN-SSDOTTSWSA-N 0 0 340.181 3.211 10 5 EGBERN Cc1cc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000301660452 456177360 /nfs/dbraw/zinc/17/73/60/456177360.db2.gz JSSZOCBCQQCJPN-INIZCTEOSA-N 0 0 331.347 3.140 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCc1ccc(O)cc1 ZINC000601118641 460717779 /nfs/dbraw/zinc/71/77/79/460717779.db2.gz ONJMKCJYRDFLIN-UHFFFAOYSA-N 0 0 344.293 3.097 10 5 EGBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301692836 456187785 /nfs/dbraw/zinc/18/77/85/456187785.db2.gz ZIOFPDGGNMBPDF-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C12CCC2 ZINC000301700917 456190883 /nfs/dbraw/zinc/19/08/83/456190883.db2.gz SKYCJXTXQMSEJN-HUUCEWRRSA-N 0 0 348.399 3.449 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000301727105 456198539 /nfs/dbraw/zinc/19/85/39/456198539.db2.gz QOKNAVZTDOORQI-UHFFFAOYSA-N 0 0 348.309 3.413 10 5 EGBERN CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000301802887 456217891 /nfs/dbraw/zinc/21/78/91/456217891.db2.gz UQXRPRGGTDPOLC-HNNXBMFYSA-N 0 0 347.321 3.115 10 5 EGBERN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301857060 456233456 /nfs/dbraw/zinc/23/34/56/456233456.db2.gz ZLUWTGOIQQFXBR-RDJZCZTQSA-N 0 0 342.355 3.360 10 5 EGBERN CCS[C@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126014 460721384 /nfs/dbraw/zinc/72/13/84/460721384.db2.gz TYFGUSFHWXFSPV-YUMQZZPRSA-N 0 0 338.355 3.433 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[C@@]34CCCc3ccccc34)nn21 ZINC000301968213 456260606 /nfs/dbraw/zinc/26/06/06/456260606.db2.gz PHGFWKPAKYYSGY-LIRRHRJNSA-N 0 0 349.394 3.344 10 5 EGBERN CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(F)c1 ZINC000301997778 456266711 /nfs/dbraw/zinc/26/67/11/456266711.db2.gz PDSGNYUWVJXSGK-UHFFFAOYSA-N 0 0 329.335 3.166 10 5 EGBERN CCOCc1nc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000290278336 456279330 /nfs/dbraw/zinc/27/93/30/456279330.db2.gz WWLOLJQPTVCEGL-NEPJUHHUSA-N 0 0 334.376 3.235 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000281676263 456291713 /nfs/dbraw/zinc/29/17/13/456291713.db2.gz DYIHKGRJHRQXAP-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000302136382 456296559 /nfs/dbraw/zinc/29/65/59/456296559.db2.gz HYKAZZMJVBIHJW-ZDUSSCGKSA-N 0 0 337.738 3.440 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000302177386 456308550 /nfs/dbraw/zinc/30/85/50/456308550.db2.gz XABGNBDTIJXLHN-LBPRGKRZSA-N 0 0 335.335 3.134 10 5 EGBERN Cc1cc([C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000601136111 460726929 /nfs/dbraw/zinc/72/69/29/460726929.db2.gz PEORGEQPAONRME-HNNXBMFYSA-N 0 0 335.310 3.154 10 5 EGBERN Cc1nc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000275816771 456320916 /nfs/dbraw/zinc/32/09/16/456320916.db2.gz NCNYWEYXUORCGL-UHFFFAOYSA-N 0 0 339.804 3.294 10 5 EGBERN COC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000275876288 456339121 /nfs/dbraw/zinc/33/91/21/456339121.db2.gz PBNDSFRBEPDIHT-LLVKDONJSA-N 0 0 338.747 3.267 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000275884802 456341359 /nfs/dbraw/zinc/34/13/59/456341359.db2.gz QMAUJEVEUZYBTR-OUCADQQQSA-N 0 0 338.791 3.244 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000302417265 456342392 /nfs/dbraw/zinc/34/23/92/456342392.db2.gz MIACGFYLOSSPDH-IYNGYCSASA-N 0 0 334.372 3.151 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000275909814 456348410 /nfs/dbraw/zinc/34/84/10/456348410.db2.gz VZLRIJIQTKHNDP-JSGCOSHPSA-N 0 0 340.807 3.490 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](O)C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000298048303 456353071 /nfs/dbraw/zinc/35/30/71/456353071.db2.gz UPVLPHZCFKXONE-JKSUJKDBSA-N 0 0 347.415 3.135 10 5 EGBERN CCc1nc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cs1 ZINC000302643283 456368526 /nfs/dbraw/zinc/36/85/26/456368526.db2.gz IPKJCEJZMFIUGT-UHFFFAOYSA-N 0 0 346.412 3.118 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC=C(Br)C1 ZINC000282031921 456395704 /nfs/dbraw/zinc/39/57/04/456395704.db2.gz ZFTJZSMVNSYXHD-UHFFFAOYSA-N 0 0 340.177 3.420 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccoc1C(F)(F)F ZINC000352910103 456408015 /nfs/dbraw/zinc/40/80/15/456408015.db2.gz FKGXHBPOCORDNW-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN CCc1ccc(C(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000282398699 456501186 /nfs/dbraw/zinc/50/11/86/456501186.db2.gz XDSJNRBDKYZQMW-UHFFFAOYSA-N 0 0 339.189 3.282 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1noc(Cc3ccccc3)n1)CC2 ZINC000348252973 456572658 /nfs/dbraw/zinc/57/26/58/456572658.db2.gz GBPXYFLFDANIPL-UHFFFAOYSA-N 0 0 336.351 3.131 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348287740 456599137 /nfs/dbraw/zinc/59/91/37/456599137.db2.gz VXTNCCQZWIEQTO-CWSCBRNRSA-N 0 0 345.321 3.195 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348287741 456599852 /nfs/dbraw/zinc/59/98/52/456599852.db2.gz VXTNCCQZWIEQTO-GIPNMCIBSA-N 0 0 345.321 3.195 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3ncc(C)cc3[N+](=O)[O-])ccc21 ZINC000353270993 456601092 /nfs/dbraw/zinc/60/10/92/456601092.db2.gz XFTZRRLSGAJAQY-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])c(C)n2)cs1 ZINC000348356660 456646587 /nfs/dbraw/zinc/64/65/87/456646587.db2.gz YBALLANBZQTSBY-LLVKDONJSA-N 0 0 336.417 3.489 10 5 EGBERN COCCc1ccc(Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000326418588 456693558 /nfs/dbraw/zinc/69/35/58/456693558.db2.gz MEQRODIJCINBQW-UHFFFAOYSA-N 0 0 331.324 3.363 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCCc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC000326932467 456702104 /nfs/dbraw/zinc/70/21/04/456702104.db2.gz XTCYYGQRADKRLC-CQSZACIVSA-N 0 0 329.331 3.124 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000277183225 456713601 /nfs/dbraw/zinc/71/36/01/456713601.db2.gz GYQBZDGBVOJJKV-LBPRGKRZSA-N 0 0 344.371 3.248 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)NCc2ccccc2[N+](=O)[O-])nc1C ZINC000348492761 456714207 /nfs/dbraw/zinc/71/42/07/456714207.db2.gz LWTXKRCICUBSRS-LLVKDONJSA-N 0 0 349.412 3.387 10 5 EGBERN CSCCCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353529846 456738928 /nfs/dbraw/zinc/73/89/28/456738928.db2.gz RJEMGWMIKURLDD-OAHLLOKOSA-N 0 0 334.445 3.151 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000340923256 456763803 /nfs/dbraw/zinc/76/38/03/456763803.db2.gz MYCDRWFRQAXNCM-QGZVFWFLSA-N 0 0 332.379 3.427 10 5 EGBERN CC(C)[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344045424 456790841 /nfs/dbraw/zinc/79/08/41/456790841.db2.gz IGZQWFDRFFEBRD-LBPRGKRZSA-N 0 0 333.310 3.023 10 5 EGBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000283648007 456817923 /nfs/dbraw/zinc/81/79/23/456817923.db2.gz QAXUXUYMSVZBFN-UHFFFAOYSA-N 0 0 342.277 3.014 10 5 EGBERN Cc1cc(NC[C@@](C)(O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301222058 456825195 /nfs/dbraw/zinc/82/51/95/456825195.db2.gz CLNWWHKUSNVLAS-QGZVFWFLSA-N 0 0 330.388 3.179 10 5 EGBERN COc1ccc(C(=O)Nc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000344541085 456836759 /nfs/dbraw/zinc/83/67/59/456836759.db2.gz ZDIJDQMILDBGRY-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCn1c(-c2ccoc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000338534670 456837568 /nfs/dbraw/zinc/83/75/68/456837568.db2.gz KRKYPNCOIHPPLD-UHFFFAOYSA-N 0 0 327.344 3.103 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2cnccc2c1 ZINC000341646204 456882292 /nfs/dbraw/zinc/88/22/92/456882292.db2.gz SSWGRSSXCNOTQB-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN COc1cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000345015460 456898093 /nfs/dbraw/zinc/89/80/93/456898093.db2.gz AIYUOQHDPODQTJ-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN COC(C)(C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341742146 456923753 /nfs/dbraw/zinc/92/37/53/456923753.db2.gz XPIJSJZINMPZBJ-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000345110264 456929344 /nfs/dbraw/zinc/92/93/44/456929344.db2.gz UBKRDXKNHJWQQX-MRXNPFEDSA-N 0 0 348.790 3.021 10 5 EGBERN CC(C)(C(=O)N1CCC[C@]2(CCCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341792509 456947033 /nfs/dbraw/zinc/94/70/33/456947033.db2.gz JLKMCFUPPMTFBO-IBGZPJMESA-N 0 0 346.427 3.292 10 5 EGBERN Cc1ccc(C(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000341870659 456979610 /nfs/dbraw/zinc/97/96/10/456979610.db2.gz MDFNZDFZXJPXMP-UHFFFAOYSA-N 0 0 340.379 3.491 10 5 EGBERN Cc1cn2cc(NC(=O)CSc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339267886 457029524 /nfs/dbraw/zinc/02/95/24/457029524.db2.gz BEMRMPNXYXARDA-UHFFFAOYSA-N 0 0 342.380 3.282 10 5 EGBERN O=[N+]([O-])c1cc(CNc2ccnc(C3CC3)n2)cc(C(F)(F)F)c1 ZINC000362662386 457032218 /nfs/dbraw/zinc/03/22/18/457032218.db2.gz IIGXPARYYSKIEZ-UHFFFAOYSA-N 0 0 338.289 3.315 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc2[nH]ccc2s1 ZINC000356527726 457037811 /nfs/dbraw/zinc/03/78/11/457037811.db2.gz FTPBZZTZYOXEIF-UHFFFAOYSA-N 0 0 327.325 3.266 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000330393470 457037964 /nfs/dbraw/zinc/03/79/64/457037964.db2.gz CDCJCFVZHKAYEI-LLVKDONJSA-N 0 0 328.315 3.253 10 5 EGBERN CCOc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000354134450 457087342 /nfs/dbraw/zinc/08/73/42/457087342.db2.gz ANFHKNHHTFWLPB-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN CCO[C@H](C)c1noc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000349967350 457126279 /nfs/dbraw/zinc/12/62/79/457126279.db2.gz GYLZRSIOFKKWFS-GFCCVEGCSA-N 0 0 334.376 3.016 10 5 EGBERN Cc1cc(N2CCc3n[nH]cc3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359835566 457135425 /nfs/dbraw/zinc/13/54/25/457135425.db2.gz FLQJJTQIGNEFSE-UHFFFAOYSA-N 0 0 326.278 3.208 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cn[nH]c1 ZINC000356725137 457136040 /nfs/dbraw/zinc/13/60/40/457136040.db2.gz IROMMYNYVJXRRO-SNVBAGLBSA-N 0 0 334.401 3.311 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000356740482 457144014 /nfs/dbraw/zinc/14/40/14/457144014.db2.gz ZWKXQNXSSWDEDI-RDDDGLTNSA-N 0 0 327.178 3.194 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000350015075 457143427 /nfs/dbraw/zinc/14/34/27/457143427.db2.gz LDLOJAOSHRTZNM-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356758694 457153028 /nfs/dbraw/zinc/15/30/28/457153028.db2.gz QTMOVGBELLVKRN-GZMMTYOYSA-N 0 0 332.278 3.064 10 5 EGBERN COC(=O)Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000346764386 457157815 /nfs/dbraw/zinc/15/78/15/457157815.db2.gz DVRONUXRIDOKPZ-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CCC1(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000342245967 457188867 /nfs/dbraw/zinc/18/88/67/457188867.db2.gz FOLASUVUPDFDNX-UHFFFAOYSA-N 0 0 347.415 3.280 10 5 EGBERN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342280085 457209505 /nfs/dbraw/zinc/20/95/05/457209505.db2.gz LCHWMZJMYDXKMO-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000342331918 457240809 /nfs/dbraw/zinc/24/08/09/457240809.db2.gz XHBQZNVNDJXJQL-LBPRGKRZSA-N 0 0 345.399 3.056 10 5 EGBERN Cc1noc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000347169218 457268087 /nfs/dbraw/zinc/26/80/87/457268087.db2.gz NWXDWTDQOSWCBT-SECBINFHSA-N 0 0 347.375 3.466 10 5 EGBERN O=C(C(C1CCC1)C1CCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000354531969 457273062 /nfs/dbraw/zinc/27/30/62/457273062.db2.gz ZBVBMTDAWBQMTK-UHFFFAOYSA-N 0 0 329.400 3.091 10 5 EGBERN COC1CCC(CNC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000342407488 457285805 /nfs/dbraw/zinc/28/58/05/457285805.db2.gz GHZLTJILDADRNQ-UHFFFAOYSA-N 0 0 338.429 3.008 10 5 EGBERN C[C@H]1CCCc2ncc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)n21 ZINC000351521910 457302115 /nfs/dbraw/zinc/30/21/15/457302115.db2.gz URWMIJUIASKAIE-QMMMGPOBSA-N 0 0 331.357 3.467 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(NC(=O)C(C)C)cc1 ZINC000360843421 457380618 /nfs/dbraw/zinc/38/06/18/457380618.db2.gz WWVXGTOBMRVSMH-UHFFFAOYSA-N 0 0 331.376 3.458 10 5 EGBERN O=C(N[C@@H]1CC12CC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000424962969 457389705 /nfs/dbraw/zinc/38/97/05/457389705.db2.gz DVTVXCDMLOXFJJ-QGZVFWFLSA-N 0 0 337.379 3.489 10 5 EGBERN CC(C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000347381392 457390694 /nfs/dbraw/zinc/39/06/94/457390694.db2.gz KSAHNOKXBZOZNM-LBPRGKRZSA-N 0 0 336.335 3.390 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000355731155 457409882 /nfs/dbraw/zinc/40/98/82/457409882.db2.gz NKFXCZKRLNKZFN-UHFFFAOYSA-N 0 0 342.248 3.124 10 5 EGBERN Cc1cc(=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000342624054 457411269 /nfs/dbraw/zinc/41/12/69/457411269.db2.gz WTVYTRLGSRIKJK-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000363693048 457417717 /nfs/dbraw/zinc/41/77/17/457417717.db2.gz XFHNLRYLDVYFQU-OAHLLOKOSA-N 0 0 340.383 3.395 10 5 EGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000363723655 457428848 /nfs/dbraw/zinc/42/88/48/457428848.db2.gz PKYLTSZEJHDDKB-VIFPVBQESA-N 0 0 336.783 3.134 10 5 EGBERN COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355938679 457431959 /nfs/dbraw/zinc/43/19/59/457431959.db2.gz WEXISOYDOXBGNM-UTUOFQBUSA-N 0 0 336.388 3.119 10 5 EGBERN Cc1c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026244 457446260 /nfs/dbraw/zinc/44/62/60/457446260.db2.gz JBFOQYBSGUKTMW-QWQRMKEZSA-N 0 0 334.416 3.062 10 5 EGBERN CNc1c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000360951397 457459315 /nfs/dbraw/zinc/45/93/15/457459315.db2.gz NYTGLQONMKILLD-LJQANCHMSA-N 0 0 339.395 3.440 10 5 EGBERN C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc2c(c1)OCO2 ZINC000357343177 457462245 /nfs/dbraw/zinc/46/22/45/457462245.db2.gz ZULRRRCXAFEZBL-JTQLQIEISA-N 0 0 338.323 3.440 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000425253786 457473021 /nfs/dbraw/zinc/47/30/21/457473021.db2.gz LORCRUHJCCVCRG-LBPRGKRZSA-N 0 0 342.355 3.052 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000347513158 457477538 /nfs/dbraw/zinc/47/75/38/457477538.db2.gz IVKBPKQXJWJTNX-UHFFFAOYSA-N 0 0 330.388 3.196 10 5 EGBERN CC(=O)c1ccc(N[C@@H](C)c2nnc3n2CCCCC3)c([N+](=O)[O-])c1 ZINC000369960592 457479024 /nfs/dbraw/zinc/47/90/24/457479024.db2.gz XAXHCVCKAJKPAQ-NSHDSACASA-N 0 0 343.387 3.288 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000357388171 457488931 /nfs/dbraw/zinc/48/89/31/457488931.db2.gz WZFGUHISLIGDPH-INIZCTEOSA-N 0 0 338.367 3.281 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000361008612 457507432 /nfs/dbraw/zinc/50/74/32/457507432.db2.gz WPEGEXVPFVIGIL-GOSISDBHSA-N 0 0 342.399 3.146 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(OC)c(F)c2)n1 ZINC000342781195 457521556 /nfs/dbraw/zinc/52/15/56/457521556.db2.gz FZYASULBQSGOQR-SECBINFHSA-N 0 0 349.318 3.097 10 5 EGBERN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000361044862 457539460 /nfs/dbraw/zinc/53/94/60/457539460.db2.gz VCLAMZXTCLJYLN-CQSZACIVSA-N 0 0 337.383 3.387 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000356223170 457546127 /nfs/dbraw/zinc/54/61/27/457546127.db2.gz KBIWJRMRRVMIQF-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@H]1C ZINC000361063721 457558203 /nfs/dbraw/zinc/55/82/03/457558203.db2.gz UXMHAHHVVQUOER-CHWSQXEVSA-N 0 0 325.368 3.499 10 5 EGBERN CCN(C[C@@H](C)OC)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000361067096 457559690 /nfs/dbraw/zinc/55/96/90/457559690.db2.gz QFDZEAWAFCNVJJ-CYBMUJFWSA-N 0 0 338.407 3.178 10 5 EGBERN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C ZINC000357535332 457584831 /nfs/dbraw/zinc/58/48/31/457584831.db2.gz KJRIEUHJMPGGBK-NXEZZACHSA-N 0 0 345.321 3.282 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000356374419 457592874 /nfs/dbraw/zinc/59/28/74/457592874.db2.gz NSBWSDRYJOLUJK-UHFFFAOYSA-N 0 0 337.339 3.071 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)cc(F)c1 ZINC000361136850 457606480 /nfs/dbraw/zinc/60/64/80/457606480.db2.gz SSTCMZVPWIMIMG-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000374443121 457628906 /nfs/dbraw/zinc/62/89/06/457628906.db2.gz YLYNAUCZKRLLPS-SFHVURJKSA-N 0 0 343.358 3.196 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000357662367 457645715 /nfs/dbraw/zinc/64/57/15/457645715.db2.gz OQJXDBSIDFFXDB-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN NC(=O)c1ccnc(N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000357679140 457652209 /nfs/dbraw/zinc/65/22/09/457652209.db2.gz GSYBCEQBVDISJC-JKSUJKDBSA-N 0 0 348.362 3.210 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374774483 457703989 /nfs/dbraw/zinc/70/39/89/457703989.db2.gz IGFCBLKJLZIVQQ-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000374778194 457704943 /nfs/dbraw/zinc/70/49/43/457704943.db2.gz IKNCMORFJXULFR-AWEZNQCLSA-N 0 0 348.334 3.183 10 5 EGBERN Cc1ccncc1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414853 457724348 /nfs/dbraw/zinc/72/43/48/457724348.db2.gz XDLHQRXUDZWPPL-AWEZNQCLSA-N 0 0 342.399 3.066 10 5 EGBERN Cc1ccncc1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414854 457724811 /nfs/dbraw/zinc/72/48/11/457724811.db2.gz XDLHQRXUDZWPPL-CQSZACIVSA-N 0 0 342.399 3.066 10 5 EGBERN CC(C)c1nnc2n1CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]2C ZINC000374911879 457732515 /nfs/dbraw/zinc/73/25/15/457732515.db2.gz JVLIGJADSLGXED-NSHDSACASA-N 0 0 333.367 3.026 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000374941067 457737966 /nfs/dbraw/zinc/73/79/66/457737966.db2.gz DPIJVYVBUFDIFS-UHFFFAOYSA-N 0 0 327.340 3.211 10 5 EGBERN CCc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000370959379 457744391 /nfs/dbraw/zinc/74/43/91/457744391.db2.gz BAQLIMWBESRWOH-AWEZNQCLSA-N 0 0 344.371 3.216 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC(=O)Nc2ccccc21 ZINC000374993724 457748103 /nfs/dbraw/zinc/74/81/03/457748103.db2.gz HSYPNJQHKOHJKL-JTQLQIEISA-N 0 0 345.742 3.313 10 5 EGBERN CC[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361487731 457748553 /nfs/dbraw/zinc/74/85/53/457748553.db2.gz ZSDWWCDCRVVBII-HNNXBMFYSA-N 0 0 327.384 3.299 10 5 EGBERN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000457786440 457827657 /nfs/dbraw/zinc/82/76/57/457827657.db2.gz MRFHGGJMTYXCBK-LBPRGKRZSA-N 0 0 344.415 3.443 10 5 EGBERN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000426773965 457899194 /nfs/dbraw/zinc/89/91/94/457899194.db2.gz RSCXHABSQPPNQK-KRWDZBQOSA-N 0 0 344.367 3.217 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)cs1 ZINC000361867277 457918859 /nfs/dbraw/zinc/91/88/59/457918859.db2.gz JMMDDEPPWGXGGA-SECBINFHSA-N 0 0 339.373 3.014 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433984359 457926155 /nfs/dbraw/zinc/92/61/55/457926155.db2.gz HLKBCRMXVQJGPS-UHFFFAOYSA-N 0 0 346.387 3.112 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000433999278 457929048 /nfs/dbraw/zinc/92/90/48/457929048.db2.gz MFVYTQSWAVDPBK-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681080 457938415 /nfs/dbraw/zinc/93/84/15/457938415.db2.gz SFPOGZZYKRKKRP-SNVBAGLBSA-N 0 0 344.346 3.470 10 5 EGBERN COc1cc(N2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000367373377 457950671 /nfs/dbraw/zinc/95/06/71/457950671.db2.gz XLTLNDPEYPZWLK-CHWSQXEVSA-N 0 0 338.379 3.386 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)n1 ZINC000458181918 457959208 /nfs/dbraw/zinc/95/92/08/457959208.db2.gz IDLKMDRRKILPKA-OAHLLOKOSA-N 0 0 334.420 3.242 10 5 EGBERN CC(C)(C(=O)NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000358393227 457973898 /nfs/dbraw/zinc/97/38/98/457973898.db2.gz KPAGXNXQGYTNEE-UHFFFAOYSA-N 0 0 338.367 3.065 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000434339643 457979178 /nfs/dbraw/zinc/97/91/78/457979178.db2.gz ACDCWJCAOMQGQD-UHFFFAOYSA-N 0 0 330.388 3.330 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000367841360 457986484 /nfs/dbraw/zinc/98/64/84/457986484.db2.gz FUICWNMHOBOXRR-APPDUMDISA-N 0 0 328.372 3.260 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000444870370 457989997 /nfs/dbraw/zinc/98/99/97/457989997.db2.gz FUDVECDQTMZSTB-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000427593015 458006437 /nfs/dbraw/zinc/00/64/37/458006437.db2.gz IAVMOTLXWOOXLS-CABCVRRESA-N 0 0 342.399 3.267 10 5 EGBERN Cc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c(Cl)cc1F ZINC000445577492 458066135 /nfs/dbraw/zinc/06/61/35/458066135.db2.gz RLRKDPNITQATTJ-UHFFFAOYSA-N 0 0 337.698 3.146 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](OC)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458498617 458071561 /nfs/dbraw/zinc/07/15/61/458071561.db2.gz JKDUDJKRFLYXFN-RCBQFDQVSA-N 0 0 335.404 3.112 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428105340 458081552 /nfs/dbraw/zinc/08/15/52/458081552.db2.gz DODMQJVCZBSDIW-CTNYNGJSSA-N 0 0 343.427 3.359 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000435260751 458110241 /nfs/dbraw/zinc/11/02/41/458110241.db2.gz TZIRGHYNIJIGIV-SECBINFHSA-N 0 0 326.299 3.234 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412212095 458129570 /nfs/dbraw/zinc/12/95/70/458129570.db2.gz CIWDWIHZRJIDRQ-KSZLIROESA-N 0 0 337.379 3.361 10 5 EGBERN C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000412288358 458155669 /nfs/dbraw/zinc/15/56/69/458155669.db2.gz JPHGUAQUVBHUDQ-YQVWRLOYSA-N 0 0 346.427 3.146 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000446180322 458160461 /nfs/dbraw/zinc/16/04/61/458160461.db2.gz VJKPOKWJNBIXKT-CQSZACIVSA-N 0 0 340.807 3.228 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000435583307 458166300 /nfs/dbraw/zinc/16/63/00/458166300.db2.gz IUWFKGMNLXSBIX-OLZOCXBDSA-N 0 0 334.372 3.331 10 5 EGBERN CC[C@H](C)[C@@](C)(O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446310500 458175086 /nfs/dbraw/zinc/17/50/86/458175086.db2.gz HHOUEPUBMRRSRT-BONVTDFDSA-N 0 0 328.796 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 ZINC000428679976 458189436 /nfs/dbraw/zinc/18/94/36/458189436.db2.gz MUHPZFSQUWUETC-AEFFLSMTSA-N 0 0 345.374 3.315 10 5 EGBERN C[C@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458889436 458205748 /nfs/dbraw/zinc/20/57/48/458205748.db2.gz OKNOQEDRGWLRFV-UGSOOPFHSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362499041 458220531 /nfs/dbraw/zinc/22/05/31/458220531.db2.gz NPBLKZRJUJVGEO-VIFPVBQESA-N 0 0 342.380 3.399 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000436160704 458261730 /nfs/dbraw/zinc/26/17/30/458261730.db2.gz JBKBITOMXBSRRN-VHSXEESVSA-N 0 0 346.836 3.366 10 5 EGBERN COc1cc(C)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000447267706 458277556 /nfs/dbraw/zinc/27/75/56/458277556.db2.gz QPWUWIFPTTUKSL-UHFFFAOYSA-N 0 0 336.369 3.021 10 5 EGBERN Nc1ccc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000376475443 458311533 /nfs/dbraw/zinc/31/15/33/458311533.db2.gz UJUMVSIOUWZELH-CYBMUJFWSA-N 0 0 341.415 3.094 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCOc4ccc(F)cc43)nc2c1 ZINC000447668955 458327828 /nfs/dbraw/zinc/32/78/28/458327828.db2.gz IFIVMSNXNOANQR-ZDUSSCGKSA-N 0 0 342.330 3.358 10 5 EGBERN C[C@@H](CO)CSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447671827 458327951 /nfs/dbraw/zinc/32/79/51/458327951.db2.gz RPXDNUHFBORUJZ-LURJTMIESA-N 0 0 346.277 3.364 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](c4cccc(F)c4)C3)nc2c1 ZINC000447677747 458329223 /nfs/dbraw/zinc/32/92/23/458329223.db2.gz HNJSXUBDXJJKRH-MRXNPFEDSA-N 0 0 342.330 3.188 10 5 EGBERN O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000376868775 458410809 /nfs/dbraw/zinc/41/08/09/458410809.db2.gz HBYZIBFVFVBVFK-AWEZNQCLSA-N 0 0 340.257 3.322 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC2(C1)Oc1ccccc1O2 ZINC000377157340 458477932 /nfs/dbraw/zinc/47/79/32/458477932.db2.gz FKCUJWWDBNEYTG-UHFFFAOYSA-N 0 0 342.351 3.119 10 5 EGBERN CS[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000452551186 458502048 /nfs/dbraw/zinc/50/20/48/458502048.db2.gz HPUCJPYANGGVSL-GFCCVEGCSA-N 0 0 338.432 3.259 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000373507883 458513740 /nfs/dbraw/zinc/51/37/40/458513740.db2.gz JIMHGMPDZHPJLS-CYBMUJFWSA-N 0 0 348.399 3.025 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCCCF ZINC000461881593 458577439 /nfs/dbraw/zinc/57/74/39/458577439.db2.gz JWDCCHSAIDFLDJ-UHFFFAOYSA-N 0 0 342.168 3.489 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000493918121 458601478 /nfs/dbraw/zinc/60/14/78/458601478.db2.gz XMOGCJJKMSWHCW-CYBMUJFWSA-N 0 0 326.418 3.165 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000462308844 458609913 /nfs/dbraw/zinc/60/99/13/458609913.db2.gz AQRDYFXBLPOMCF-GXSJLCMTSA-N 0 0 346.836 3.366 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC(C)(C)[C@@H]1C ZINC000438955421 458633532 /nfs/dbraw/zinc/63/35/32/458633532.db2.gz UFFSHFSISCQSKC-JTQLQIEISA-N 0 0 326.780 3.196 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000471288985 458688153 /nfs/dbraw/zinc/68/81/53/458688153.db2.gz QSATUWMJXFWWIB-NSHDSACASA-N 0 0 342.351 3.377 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000456664024 458745699 /nfs/dbraw/zinc/74/56/99/458745699.db2.gz MOGLVSLRZVKDDO-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000440154714 458788642 /nfs/dbraw/zinc/78/86/42/458788642.db2.gz FPPUHPYWLKVMLB-NWDGAFQWSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456869049 458806920 /nfs/dbraw/zinc/80/69/20/458806920.db2.gz DFHANIOAEJBIPR-CABZTGNLSA-N 0 0 328.290 3.390 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O ZINC000530856138 458836098 /nfs/dbraw/zinc/83/60/98/458836098.db2.gz XYUYSOHMLDWNCV-DFAYQTQMSA-N 0 0 343.305 3.035 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000457037119 458844475 /nfs/dbraw/zinc/84/44/75/458844475.db2.gz LTZXOYREJNYNPG-LBPRGKRZSA-N 0 0 332.356 3.230 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000457100120 458867060 /nfs/dbraw/zinc/86/70/60/458867060.db2.gz ZEELVZZNWKJIAL-NSHDSACASA-N 0 0 326.780 3.137 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628388 458948313 /nfs/dbraw/zinc/94/83/13/458948313.db2.gz YBKVTRNEUWDVII-GDBMZVCRSA-N 0 0 325.368 3.131 10 5 EGBERN CC(C)CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531630323 458948664 /nfs/dbraw/zinc/94/86/64/458948664.db2.gz XJJWXIHGACCPCG-UHFFFAOYSA-N 0 0 331.347 3.427 10 5 EGBERN CC[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630706 458956742 /nfs/dbraw/zinc/95/67/42/458956742.db2.gz IIYLBFJKWOVMHM-MJIJOELWSA-N 0 0 346.427 3.268 10 5 EGBERN CCCN(CC[NH+](CC)CC)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566622739 458971978 /nfs/dbraw/zinc/97/19/78/458971978.db2.gz XXJOCQYQWFFVHX-UHFFFAOYSA-N 0 0 337.420 3.160 10 5 EGBERN C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577095926 458979430 /nfs/dbraw/zinc/97/94/30/458979430.db2.gz JUEQXBCMTCTZGQ-GHMZBOCLSA-N 0 0 326.343 3.358 10 5 EGBERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882961 458994039 /nfs/dbraw/zinc/99/40/39/458994039.db2.gz CNEWRAMHGYPWQA-NSHDSACASA-N 0 0 333.775 3.346 10 5 EGBERN Cc1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594517427 459076371 /nfs/dbraw/zinc/07/63/71/459076371.db2.gz CJAKPMSDOAHFSU-GXTWGEPZSA-N 0 0 332.322 3.493 10 5 EGBERN O=C(NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000532398792 459080248 /nfs/dbraw/zinc/08/02/48/459080248.db2.gz HOWQBPXXSVHNCP-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CCC(=O)c1ccc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000594590773 459100427 /nfs/dbraw/zinc/10/04/27/459100427.db2.gz AUDDIXRPIKNAIF-MELADBBJSA-N 0 0 349.431 3.097 10 5 EGBERN COc1ccc(OCCN(C)c2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000567537597 459121342 /nfs/dbraw/zinc/12/13/42/459121342.db2.gz QEJDBFAVTSHHLQ-UHFFFAOYSA-N 0 0 331.372 3.130 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000590398914 459124255 /nfs/dbraw/zinc/12/42/55/459124255.db2.gz AUQJBLJGDNGAMR-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cn2)sc1C(F)(F)F ZINC000567566354 459125721 /nfs/dbraw/zinc/12/57/21/459125721.db2.gz CWUOWCGRQQRLOC-UHFFFAOYSA-N 0 0 332.263 3.026 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC(C2CCCCC2)C1 ZINC000590524875 459144110 /nfs/dbraw/zinc/14/41/10/459144110.db2.gz COTARSYHVNTVDF-UHFFFAOYSA-N 0 0 338.354 3.454 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590556930 459148347 /nfs/dbraw/zinc/14/83/47/459148347.db2.gz PJHBUCPSPRWTTH-CYBMUJFWSA-N 0 0 330.365 3.203 10 5 EGBERN Cc1ccc2oc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cc2c1 ZINC000558359130 459149043 /nfs/dbraw/zinc/14/90/43/459149043.db2.gz LTDJFVBRKBXTSG-UHFFFAOYSA-N 0 0 337.335 3.243 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]3C(F)(F)F)co2)cc1 ZINC000590602986 459158997 /nfs/dbraw/zinc/15/89/97/459158997.db2.gz YYRHCQGWXWQKOB-GFCCVEGCSA-N 0 0 327.262 3.386 10 5 EGBERN CO[C@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCCC1 ZINC000594894274 459169296 /nfs/dbraw/zinc/16/92/96/459169296.db2.gz QBUZIQZQHUBWSS-OAHLLOKOSA-N 0 0 347.371 3.007 10 5 EGBERN CC(C)(C)c1cc(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)no1 ZINC000594915535 459174292 /nfs/dbraw/zinc/17/42/92/459174292.db2.gz SKQUHPDEGVGKHC-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN O=C1NCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000479968017 459175209 /nfs/dbraw/zinc/17/52/09/459175209.db2.gz ZQMYOHNAXQTTSC-HNNXBMFYSA-N 0 0 326.356 3.029 10 5 EGBERN Cn1ccnc1[C@H](NC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078491 459239926 /nfs/dbraw/zinc/23/99/26/459239926.db2.gz CQLKLNXVTBSSAY-HIFRSBDPSA-N 0 0 336.342 3.053 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000595101353 459245401 /nfs/dbraw/zinc/24/54/01/459245401.db2.gz DPMUZNJDOLOVHK-LXIYXOSZSA-N 0 0 330.384 3.376 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000590874792 459253485 /nfs/dbraw/zinc/25/34/85/459253485.db2.gz KGJKXCUKZIOLNK-UHFFFAOYSA-N 0 0 332.381 3.172 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000595448782 459305883 /nfs/dbraw/zinc/30/58/83/459305883.db2.gz UKXABUDYBPHPPB-UHFFFAOYSA-N 0 0 337.379 3.426 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595449343 459306040 /nfs/dbraw/zinc/30/60/40/459306040.db2.gz WTFIPKONAVWVKW-BLLLJJGKSA-N 0 0 325.368 3.122 10 5 EGBERN Cc1noc(CN2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1[N+](=O)[O-] ZINC000595476942 459317047 /nfs/dbraw/zinc/31/70/47/459317047.db2.gz QKUKVRJVVWECKS-INIZCTEOSA-N 0 0 337.326 3.409 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000568695057 459328301 /nfs/dbraw/zinc/32/83/01/459328301.db2.gz KRRMNPXOGPNADH-CHWSQXEVSA-N 0 0 344.415 3.449 10 5 EGBERN CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000591177294 459328715 /nfs/dbraw/zinc/32/87/15/459328715.db2.gz RFIDAFJPAGLHEG-FUHWJXTLSA-N 0 0 341.411 3.442 10 5 EGBERN C[C@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C[C@H]2C[C@H]2C1 ZINC000568891487 459363264 /nfs/dbraw/zinc/36/32/64/459363264.db2.gz HOTVIFOBKNKDNA-PBKGOJFUSA-N 0 0 328.372 3.320 10 5 EGBERN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000582507392 459377062 /nfs/dbraw/zinc/37/70/62/459377062.db2.gz QMSUCGGZLDHSTM-HNNXBMFYSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1noc(CN(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634539 459377946 /nfs/dbraw/zinc/37/79/46/459377946.db2.gz BUGDYKPSNUNIJB-OAHLLOKOSA-N 0 0 345.399 3.461 10 5 EGBERN Cc1cc(NC(=O)NC[C@@](C)(O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000484345422 459412661 /nfs/dbraw/zinc/41/26/61/459412661.db2.gz ZWLXGCVLJAQFLX-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN O=[N+]([O-])c1ccc(CCN2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595757248 459427639 /nfs/dbraw/zinc/42/76/39/459427639.db2.gz CAHWGVLKNYIODJ-SFHVURJKSA-N 0 0 330.359 3.350 10 5 EGBERN CC1(C)CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561669012 459472340 /nfs/dbraw/zinc/47/23/40/459472340.db2.gz TVHFCQCJPPJKOU-SNVBAGLBSA-N 0 0 326.343 3.358 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000485963760 459481588 /nfs/dbraw/zinc/48/15/88/459481588.db2.gz HNOZNAXPPSXXQE-UHFFFAOYSA-N 0 0 332.787 3.458 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCO[C@@]3(CCSC3)C1)CCCC2 ZINC000591925480 459487458 /nfs/dbraw/zinc/48/74/58/459487458.db2.gz XHPGMODUZWALPD-DYVFJYSZSA-N 0 0 349.456 3.335 10 5 EGBERN CCCCN(C)C(=O)CSc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591930641 459489502 /nfs/dbraw/zinc/48/95/02/459489502.db2.gz DFWCRMDRJZKUHC-UHFFFAOYSA-N 0 0 337.445 3.219 10 5 EGBERN CCOC(=O)Cc1ccc(N[C@H]2CCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000591950314 459496022 /nfs/dbraw/zinc/49/60/22/459496022.db2.gz HMODAHCTWFKFMY-KBPBESRZSA-N 0 0 336.388 3.070 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](OC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000591975488 459502396 /nfs/dbraw/zinc/50/23/96/459502396.db2.gz NOXFZZPIIIVZQZ-CVEARBPZSA-N 0 0 335.404 3.255 10 5 EGBERN CCOC(=O)C1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596051392 459502883 /nfs/dbraw/zinc/50/28/83/459502883.db2.gz QSJSPTCGAKEOIH-UHFFFAOYSA-N 0 0 342.779 3.036 10 5 EGBERN CC(C)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000591987896 459505059 /nfs/dbraw/zinc/50/50/59/459505059.db2.gz NMRAEZBYMVBYBH-AWEZNQCLSA-N 0 0 348.321 3.203 10 5 EGBERN CCN(CC)C(=O)CCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596075772 459509765 /nfs/dbraw/zinc/50/97/65/459509765.db2.gz LCUWQBYLAORNGR-UHFFFAOYSA-N 0 0 343.811 3.317 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592007682 459509982 /nfs/dbraw/zinc/50/99/82/459509982.db2.gz YCOYFPYEVYKUQB-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN COC(=O)c1cc(Oc2cc(C(C)(C)C)ncn2)ccc1[N+](=O)[O-] ZINC000596122694 459529071 /nfs/dbraw/zinc/52/90/71/459529071.db2.gz BDHMRZVGEQLVEN-UHFFFAOYSA-N 0 0 331.328 3.261 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1sc(C(C)C)nc1C ZINC000542259274 459541743 /nfs/dbraw/zinc/54/17/43/459541743.db2.gz HZHVSPUSNAECKC-UHFFFAOYSA-N 0 0 349.412 3.422 10 5 EGBERN COc1cc(N[C@@H]2CCN(c3ccccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172033 459546901 /nfs/dbraw/zinc/54/69/01/459546901.db2.gz IAWNWQVGOCEADT-LLVKDONJSA-N 0 0 348.790 3.343 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@](C)(c2ccccc2)C1 ZINC000583510544 459552363 /nfs/dbraw/zinc/55/23/63/459552363.db2.gz VBTYPKYRCDODOE-GOSISDBHSA-N 0 0 328.368 3.355 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000596187585 459553423 /nfs/dbraw/zinc/55/34/23/459553423.db2.gz QRNGEYRQYDOMBQ-BDAKNGLRSA-N 0 0 330.743 3.219 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2 ZINC000596190806 459554944 /nfs/dbraw/zinc/55/49/44/459554944.db2.gz ZHYDBBVPDHHRJC-UHFFFAOYSA-N 0 0 326.278 3.139 10 5 EGBERN COc1cc(N2CCC[C@@H](OC(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596190164 459555606 /nfs/dbraw/zinc/55/56/06/459555606.db2.gz OXDUCWSXDPBKMF-MRVPVSSYSA-N 0 0 336.722 3.465 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195390 459557705 /nfs/dbraw/zinc/55/77/05/459557705.db2.gz NARIABGSTUSURC-SNVBAGLBSA-N 0 0 345.403 3.127 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592243393 459559462 /nfs/dbraw/zinc/55/94/62/459559462.db2.gz YKOQMSVOYWURCW-INIZCTEOSA-N 0 0 347.415 3.378 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596229900 459567820 /nfs/dbraw/zinc/56/78/20/459567820.db2.gz RHKANAMTHFOTJI-ZJUUUORDSA-N 0 0 342.779 3.119 10 5 EGBERN O=c1[nH]ccc(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596271610 459581168 /nfs/dbraw/zinc/58/11/68/459581168.db2.gz SNKOKZMSIKUMPV-CQSZACIVSA-N 0 0 325.368 3.470 10 5 EGBERN COC1CC(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000596308195 459590699 /nfs/dbraw/zinc/59/06/99/459590699.db2.gz HCWNVCYAQRFUFU-UHFFFAOYSA-N 0 0 327.384 3.306 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ncnn21 ZINC000596342524 459602419 /nfs/dbraw/zinc/60/24/19/459602419.db2.gz FYHGHRYDXGHPAZ-OIBJUYFYSA-N 0 0 327.266 3.323 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596365319 459608471 /nfs/dbraw/zinc/60/84/71/459608471.db2.gz BJDQLDXVHGMYIC-OGHNNQOOSA-N 0 0 345.399 3.121 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596367355 459609526 /nfs/dbraw/zinc/60/95/26/459609526.db2.gz GXDSEPUQJCJHNF-HCKVZZMMSA-N 0 0 328.796 3.226 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596365895 459609699 /nfs/dbraw/zinc/60/96/99/459609699.db2.gz LHBWQYDPZDEUTF-FQOARCPFSA-N 0 0 346.836 3.358 10 5 EGBERN C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000573096841 459626215 /nfs/dbraw/zinc/62/62/15/459626215.db2.gz CECUPOBHWDCUIP-AWEZNQCLSA-N 0 0 328.368 3.318 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596441995 459638090 /nfs/dbraw/zinc/63/80/90/459638090.db2.gz SWGGWUSLZBLQOF-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C2 ZINC000596443610 459638223 /nfs/dbraw/zinc/63/82/23/459638223.db2.gz PLHRICWKWRUOBY-OKILXGFUSA-N 0 0 330.306 3.476 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000596447335 459640056 /nfs/dbraw/zinc/64/00/56/459640056.db2.gz RRNVYZBBEYOZHD-CQSZACIVSA-N 0 0 346.387 3.071 10 5 EGBERN C[C@H]1COC2(CCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596457762 459644154 /nfs/dbraw/zinc/64/41/54/459644154.db2.gz AHWZPQGFSTZMKF-JTQLQIEISA-N 0 0 339.779 3.424 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)C1O ZINC000596470389 459648153 /nfs/dbraw/zinc/64/81/53/459648153.db2.gz UANMDKHILNCKDA-STQMWFEESA-N 0 0 327.384 3.110 10 5 EGBERN C[C@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000596483941 459652839 /nfs/dbraw/zinc/65/28/39/459652839.db2.gz QZSYSYIDADXHHG-KDOFPFPSSA-N 0 0 325.368 3.130 10 5 EGBERN CCC(=O)c1ccc(NCc2ccoc2C(=O)OC)c([N+](=O)[O-])c1 ZINC000596486991 459654324 /nfs/dbraw/zinc/65/43/24/459654324.db2.gz SEOYJTFKGQTUNO-UHFFFAOYSA-N 0 0 332.312 3.179 10 5 EGBERN NC(=O)c1cc(N(Cc2ccccc2F)CC2CC2)ccc1[N+](=O)[O-] ZINC000596489835 459655124 /nfs/dbraw/zinc/65/51/24/459655124.db2.gz ZXQILRROUNWYTN-UHFFFAOYSA-N 0 0 343.358 3.249 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000596502879 459659125 /nfs/dbraw/zinc/65/91/25/459659125.db2.gz HBWRISOEWOEIAJ-BXKDBHETSA-N 0 0 347.293 3.168 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596504708 459660123 /nfs/dbraw/zinc/66/01/23/459660123.db2.gz VTAKSJPTNSBTIY-UHFFFAOYSA-N 0 0 344.400 3.213 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C12CCC2 ZINC000596507539 459660761 /nfs/dbraw/zinc/66/07/61/459660761.db2.gz KPRXHGFSYPHQDH-ZIAGYGMSSA-N 0 0 347.415 3.232 10 5 EGBERN CC1(C)[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1(F)F ZINC000596512687 459661738 /nfs/dbraw/zinc/66/17/38/459661738.db2.gz JRIVYPXETJNHPR-ZDUSSCGKSA-N 0 0 339.342 3.190 10 5 EGBERN CC(C)[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000596517589 459663575 /nfs/dbraw/zinc/66/35/75/459663575.db2.gz PCZACUDKBYIPEH-IAGOWNOFSA-N 0 0 333.363 3.486 10 5 EGBERN COC(=O)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])c(F)c1 ZINC000596516629 459663872 /nfs/dbraw/zinc/66/38/72/459663872.db2.gz FWOOKUSLPOFIHH-UHFFFAOYSA-N 0 0 333.319 3.144 10 5 EGBERN CC(C)[C@H](O)[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000596517348 459664191 /nfs/dbraw/zinc/66/41/91/459664191.db2.gz NUMZVIOSCKBECQ-OLZOCXBDSA-N 0 0 346.412 3.474 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596524499 459666163 /nfs/dbraw/zinc/66/61/63/459666163.db2.gz CANYWKWFTIDVTE-CYBMUJFWSA-N 0 0 333.388 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4COC[C@H]4C3)n2)cc1 ZINC000596529382 459667982 /nfs/dbraw/zinc/66/79/82/459667982.db2.gz RMDAQPZDSWQLNY-CHWSQXEVSA-N 0 0 331.397 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000592696340 459668637 /nfs/dbraw/zinc/66/86/37/459668637.db2.gz WHHBZZHLQOWBOO-HUUCEWRRSA-N 0 0 348.447 3.165 10 5 EGBERN CNC(=O)c1ccc(N(C)C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000596542829 459670824 /nfs/dbraw/zinc/67/08/24/459670824.db2.gz JKVAHYGHCNWJBY-HNNXBMFYSA-N 0 0 339.395 3.121 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596543093 459671110 /nfs/dbraw/zinc/67/11/10/459671110.db2.gz SWEXEKMXOJLMMM-GDZNZVCISA-N 0 0 343.383 3.077 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC[C@@H]1C1CCC1 ZINC000592734267 459678970 /nfs/dbraw/zinc/67/89/70/459678970.db2.gz DDEZLSCCQIYSFY-OAHLLOKOSA-N 0 0 346.383 3.161 10 5 EGBERN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000596572825 459682582 /nfs/dbraw/zinc/68/25/82/459682582.db2.gz GXVGQRPSJMXBKI-LLVKDONJSA-N 0 0 341.367 3.192 10 5 EGBERN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596576070 459683220 /nfs/dbraw/zinc/68/32/20/459683220.db2.gz ZDAJBXTYNZSFBD-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN CCOC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCC1 ZINC000596601562 459693260 /nfs/dbraw/zinc/69/32/60/459693260.db2.gz ICRYLWMUSJXFTQ-UHFFFAOYSA-N 0 0 344.371 3.419 10 5 EGBERN CO[C@H]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000596602457 459694601 /nfs/dbraw/zinc/69/46/01/459694601.db2.gz LUWMOAOZPGXHAE-QWRGUYRKSA-N 0 0 344.371 3.285 10 5 EGBERN CCC1(CC)CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000592828270 459699247 /nfs/dbraw/zinc/69/92/47/459699247.db2.gz DUPJBUBIXOPZQL-UHFFFAOYSA-N 0 0 349.416 3.322 10 5 EGBERN COC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000596619424 459700985 /nfs/dbraw/zinc/70/09/85/459700985.db2.gz JUCFGXCILMATJI-UHFFFAOYSA-N 0 0 328.315 3.436 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584293686 459703661 /nfs/dbraw/zinc/70/36/61/459703661.db2.gz PJCKMTWVSAWUJH-DOMZBBRYSA-N 0 0 348.399 3.035 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000596636448 459708322 /nfs/dbraw/zinc/70/83/22/459708322.db2.gz LBARERSQYPUQAW-BMIGLBTASA-N 0 0 343.330 3.180 10 5 EGBERN COCC1(C)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501077016 459710097 /nfs/dbraw/zinc/71/00/97/459710097.db2.gz XOHCAOWVMFTRDG-UHFFFAOYSA-N 0 0 335.404 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c(C2CCC2)cnn1C ZINC000596639582 459710652 /nfs/dbraw/zinc/71/06/52/459710652.db2.gz WOBGIYWFXSTUPG-UHFFFAOYSA-N 0 0 343.387 3.226 10 5 EGBERN COC(=O)[C@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)s1 ZINC000596647427 459713214 /nfs/dbraw/zinc/71/32/14/459713214.db2.gz KFCZVLVVTZBELR-SNVBAGLBSA-N 0 0 335.381 3.135 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC12CC=CC2 ZINC000592899935 459715937 /nfs/dbraw/zinc/71/59/37/459715937.db2.gz FYQRWYZNPOGHBQ-HNNXBMFYSA-N 0 0 333.363 3.133 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(Oc2cc(C)ccn2)CC1 ZINC000584361631 459719919 /nfs/dbraw/zinc/71/99/19/459719919.db2.gz XTGPULVJRRGQEZ-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc(C)n([C@@H](C)C3CC3)n2)c1 ZINC000544126110 459730924 /nfs/dbraw/zinc/73/09/24/459730924.db2.gz ZDEHNEBMBLODTH-NSHDSACASA-N 0 0 344.371 3.023 10 5 EGBERN CC[C@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(F)(F)F ZINC000593017015 459740621 /nfs/dbraw/zinc/74/06/21/459740621.db2.gz BKBKTPXJYVZWCA-ZDUSSCGKSA-N 0 0 334.294 3.202 10 5 EGBERN CC[C@@H](c1ccncc1)N(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593020457 459742064 /nfs/dbraw/zinc/74/20/64/459742064.db2.gz ZYMITFKVQWUOKQ-INIZCTEOSA-N 0 0 343.383 3.360 10 5 EGBERN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000593067883 459763100 /nfs/dbraw/zinc/76/31/00/459763100.db2.gz AKOKYAAFQCKSLL-MRXNPFEDSA-N 0 0 331.372 3.251 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000596787397 459763202 /nfs/dbraw/zinc/76/32/02/459763202.db2.gz HAHVUFRHVVFMPK-UHFFFAOYSA-N 0 0 347.415 3.492 10 5 EGBERN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593094877 459771710 /nfs/dbraw/zinc/77/17/10/459771710.db2.gz IXQTWTMPZOJJIF-AWEZNQCLSA-N 0 0 339.395 3.195 10 5 EGBERN COc1ccccc1[C@@H](C[N+](=O)[O-])[C@@H]1CCCC=C1N1CCOCC1 ZINC000584653847 459778548 /nfs/dbraw/zinc/77/85/48/459778548.db2.gz JKWJLOFTSVQTOO-RDJZCZTQSA-N 0 0 346.427 3.072 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593131224 459783527 /nfs/dbraw/zinc/78/35/27/459783527.db2.gz HZFKINUJLXIAAQ-UHFFFAOYSA-N 0 0 347.268 3.493 10 5 EGBERN COc1ccc(CNC(=O)C2CCC(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000596878567 459785366 /nfs/dbraw/zinc/78/53/66/459785366.db2.gz ZPUYDVHTYAAOAR-UHFFFAOYSA-N 0 0 332.400 3.436 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000596890587 459788434 /nfs/dbraw/zinc/78/84/34/459788434.db2.gz NIWKVSKIJWLTID-GFCCVEGCSA-N 0 0 343.330 3.406 10 5 EGBERN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596895337 459789711 /nfs/dbraw/zinc/78/97/11/459789711.db2.gz FUQXQMHNSSJVDU-GDBMZVCRSA-N 0 0 338.354 3.469 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593168835 459794382 /nfs/dbraw/zinc/79/43/82/459794382.db2.gz XUJKWIGAIOPDAG-CQSZACIVSA-N 0 0 325.315 3.475 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CS1 ZINC000584825844 459809465 /nfs/dbraw/zinc/80/94/65/459809465.db2.gz ZUPNGJLNTSAJSW-NWDGAFQWSA-N 0 0 338.432 3.305 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593215027 459809844 /nfs/dbraw/zinc/80/98/44/459809844.db2.gz XHIVEQSMHQBQMT-UHFFFAOYSA-N 0 0 341.367 3.146 10 5 EGBERN CC[C@@H](OCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593253104 459820938 /nfs/dbraw/zinc/82/09/38/459820938.db2.gz PNLFIKHHNZEKRJ-QGZVFWFLSA-N 0 0 328.368 3.493 10 5 EGBERN Cc1c(CNC(=O)Nc2ccc3c(c2)CCOC3)cccc1[N+](=O)[O-] ZINC000597058352 459828106 /nfs/dbraw/zinc/82/81/06/459828106.db2.gz IWWSXDANPFXJOD-UHFFFAOYSA-N 0 0 341.367 3.298 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593279661 459828384 /nfs/dbraw/zinc/82/83/84/459828384.db2.gz VEQRSUFDDRBKFN-KRWDZBQOSA-N 0 0 346.427 3.455 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1Cc1ccccc1F ZINC000593307945 459836790 /nfs/dbraw/zinc/83/67/90/459836790.db2.gz RAXQYJJMENKLHJ-AWEZNQCLSA-N 0 0 343.358 3.366 10 5 EGBERN C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H]1C ZINC000597100185 459837453 /nfs/dbraw/zinc/83/74/53/459837453.db2.gz GDZHAYIRVFJHPN-IUCAKERBSA-N 0 0 326.784 3.483 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@](C)(CC)C2CC2)cc([N+](=O)[O-])c1 ZINC000598251848 459840743 /nfs/dbraw/zinc/84/07/43/459840743.db2.gz WEEPIIIQBBWDJC-KRWDZBQOSA-N 0 0 334.372 3.080 10 5 EGBERN COc1ccc(C(=O)N2CCc3ccccc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000593326052 459844520 /nfs/dbraw/zinc/84/45/20/459844520.db2.gz HDEUTJLPZJIOJN-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000593325897 459844771 /nfs/dbraw/zinc/84/47/71/459844771.db2.gz FSNYTMFWEWDQDR-LBPRGKRZSA-N 0 0 325.368 3.100 10 5 EGBERN O=C([O-])C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000593331630 459848740 /nfs/dbraw/zinc/84/87/40/459848740.db2.gz HUTKBJAMELMMSU-UHFFFAOYSA-N 0 0 330.340 3.151 10 5 EGBERN CC[C@@H](NC(=O)N1CCC([C@@H](C)CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593370256 459868911 /nfs/dbraw/zinc/86/89/11/459868911.db2.gz KEIKTSFZJJIDMH-SUMWQHHRSA-N 0 0 349.431 3.096 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@@H](CC)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593370875 459869110 /nfs/dbraw/zinc/86/91/10/459869110.db2.gz OKNNFQYCJBLPSB-APHBMKBZSA-N 0 0 335.404 3.255 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586777205 459870198 /nfs/dbraw/zinc/87/01/98/459870198.db2.gz HZTXRLPEXPMQJU-JVXZTZIISA-N 0 0 340.248 3.025 10 5 EGBERN CCc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598349396 459875033 /nfs/dbraw/zinc/87/50/33/459875033.db2.gz GBRCWTUHYKKPDF-CYBMUJFWSA-N 0 0 332.400 3.331 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598351200 459875991 /nfs/dbraw/zinc/87/59/91/459875991.db2.gz NFZBEWSARBJJHV-DLBZAZTESA-N 0 0 328.368 3.083 10 5 EGBERN C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000597212544 459879376 /nfs/dbraw/zinc/87/93/76/459879376.db2.gz VFAZWPLZOSIZFR-SCLBCKFNSA-N 0 0 328.368 3.323 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)o2)c1 ZINC000597229637 459885044 /nfs/dbraw/zinc/88/50/44/459885044.db2.gz HKCQZRJYMDJSAB-GJZGRUSLSA-N 0 0 328.368 3.323 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)o2)c1 ZINC000597229636 459885227 /nfs/dbraw/zinc/88/52/27/459885227.db2.gz HKCQZRJYMDJSAB-CABCVRRESA-N 0 0 328.368 3.323 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(c2ccon2)CC1 ZINC000598401593 459890747 /nfs/dbraw/zinc/89/07/47/459890747.db2.gz WMFCGVWOJGJUDI-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN Cc1c2cc(F)ccc2oc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587494927 459892930 /nfs/dbraw/zinc/89/29/30/459892930.db2.gz HKEHXFJRXCKUNM-UHFFFAOYSA-N 0 0 345.330 3.475 10 5 EGBERN Nc1cc(NCc2cc3ccccc3s2)cc(CO)c1[N+](=O)[O-] ZINC000587495033 459893306 /nfs/dbraw/zinc/89/33/06/459893306.db2.gz IGJYOJKNYCLBHK-UHFFFAOYSA-N 0 0 329.381 3.496 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976206 459897155 /nfs/dbraw/zinc/89/71/55/459897155.db2.gz XOTYTQAZILKYRB-HNAYVOBHSA-N 0 0 342.395 3.436 10 5 EGBERN CC1(c2ccccc2)CC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587971901 459897268 /nfs/dbraw/zinc/89/72/68/459897268.db2.gz HZLXAFDGYCJGLM-UHFFFAOYSA-N 0 0 327.384 3.202 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587972932 459897303 /nfs/dbraw/zinc/89/73/03/459897303.db2.gz SCMZNUZEUCIUQB-UHFFFAOYSA-N 0 0 339.754 3.098 10 5 EGBERN Nc1cc(N[C@H]2CCC[C@@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587982208 459898399 /nfs/dbraw/zinc/89/83/99/459898399.db2.gz URLCXHWXZVSNLM-KDOFPFPSSA-N 0 0 341.411 3.493 10 5 EGBERN Nc1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587994330 459899645 /nfs/dbraw/zinc/89/96/45/459899645.db2.gz VQJUVXUIWXNFCX-MWLCHTKSSA-N 0 0 347.337 3.450 10 5 EGBERN Nc1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587994329 459899834 /nfs/dbraw/zinc/89/98/34/459899834.db2.gz VQJUVXUIWXNFCX-KOLCDFICSA-N 0 0 347.337 3.450 10 5 EGBERN C[C@@H]1[C@@H](c2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587994020 459899883 /nfs/dbraw/zinc/89/98/83/459899883.db2.gz KDLLBBRGXBXCRA-WBMJQRKESA-N 0 0 327.384 3.052 10 5 EGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593474586 459900926 /nfs/dbraw/zinc/90/09/26/459900926.db2.gz DMZUNRIXCCRWIB-LGQNPDNSSA-N 0 0 325.368 3.003 10 5 EGBERN COc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)nc1 ZINC000593481910 459902758 /nfs/dbraw/zinc/90/27/58/459902758.db2.gz UAJJFNCXZLKTIJ-UHFFFAOYSA-N 0 0 346.362 3.104 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598459153 459903147 /nfs/dbraw/zinc/90/31/47/459903147.db2.gz QNLYAOMBTVVMST-IAOVAPTHSA-N 0 0 326.327 3.110 10 5 EGBERN COc1cc(C(=O)N(C)C[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000598472042 459907359 /nfs/dbraw/zinc/90/73/59/459907359.db2.gz VNRSOLBWMWKDBL-OAHLLOKOSA-N 0 0 340.379 3.405 10 5 EGBERN CCCCCc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000597305565 459909424 /nfs/dbraw/zinc/90/94/24/459909424.db2.gz JCYAXNZUSLNJKI-UHFFFAOYSA-N 0 0 330.388 3.023 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)C2(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000593508591 459909610 /nfs/dbraw/zinc/90/96/10/459909610.db2.gz SLBOHVOUMZMZRC-GFCCVEGCSA-N 0 0 348.399 3.202 10 5 EGBERN C[C@H](Nc1cccnc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000618163986 459913362 /nfs/dbraw/zinc/91/33/62/459913362.db2.gz XVFJUSLTTSIVLC-JTQLQIEISA-N 0 0 332.326 3.065 10 5 EGBERN CC(C)Oc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000546370116 459913602 /nfs/dbraw/zinc/91/36/02/459913602.db2.gz YNTNNHBUJNXELH-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000598570316 459942646 /nfs/dbraw/zinc/94/26/46/459942646.db2.gz DJGGWBKJJZLMLP-CQSZACIVSA-N 0 0 348.733 3.053 10 5 EGBERN C[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597407241 459942908 /nfs/dbraw/zinc/94/29/08/459942908.db2.gz ALAYDSQLDNTOSX-ZDUSSCGKSA-N 0 0 341.415 3.500 10 5 EGBERN CC[C@H](NCc1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000609358559 459950589 /nfs/dbraw/zinc/95/05/89/459950589.db2.gz KOKGFROZTATNFS-LBPRGKRZSA-N 0 0 335.433 3.215 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)CC1 ZINC000609374396 459953598 /nfs/dbraw/zinc/95/35/98/459953598.db2.gz VQXGRJYTDFULPA-UHFFFAOYSA-N 0 0 349.431 3.133 10 5 EGBERN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCc1cccc([N+](=O)[O-])c1 ZINC000597448953 459957950 /nfs/dbraw/zinc/95/79/50/459957950.db2.gz FQBMPIDCFBSJAG-GDBMZVCRSA-N 0 0 338.354 3.469 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598654155 459980630 /nfs/dbraw/zinc/98/06/30/459980630.db2.gz NIUFHROZKDWFAW-PWSUYJOCSA-N 0 0 327.331 3.309 10 5 EGBERN Cc1nccn1[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000609560855 459982183 /nfs/dbraw/zinc/98/21/83/459982183.db2.gz LRWIOBLBPZNPLH-AWEZNQCLSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593821289 459996471 /nfs/dbraw/zinc/99/64/71/459996471.db2.gz MTDCIDQFTDBOOZ-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597578662 459998809 /nfs/dbraw/zinc/99/88/09/459998809.db2.gz ACPKYCYOLZHUBR-ZWNOBZJWSA-N 0 0 346.305 3.045 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597616734 460009585 /nfs/dbraw/zinc/00/95/85/460009585.db2.gz LSLRKQWZRIFXNW-LEUOFYLZSA-N 0 0 337.379 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000593914826 460015668 /nfs/dbraw/zinc/01/56/68/460015668.db2.gz GDOIXVRAJQKWIW-HNNXBMFYSA-N 0 0 339.395 3.450 10 5 EGBERN Cc1c(CN2C(=O)N[C@@H](C3CCCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000593951998 460024892 /nfs/dbraw/zinc/02/48/92/460024892.db2.gz DJHXWPXJTIOAEJ-INIZCTEOSA-N 0 0 345.399 3.294 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000597693147 460029939 /nfs/dbraw/zinc/02/99/39/460029939.db2.gz UWHJKFQGQIIDIN-GFCCVEGCSA-N 0 0 329.331 3.149 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000598780574 460032475 /nfs/dbraw/zinc/03/24/75/460032475.db2.gz RAHHPFFFSBRLTK-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN CC(C)(C(=O)NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598784857 460033218 /nfs/dbraw/zinc/03/32/18/460033218.db2.gz UWVYJAQRISEMNN-SECBINFHSA-N 0 0 330.306 3.173 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(OC)CCC(F)(F)CC1 ZINC000598802772 460040333 /nfs/dbraw/zinc/04/03/33/460040333.db2.gz XYYTVLMQBFIGQJ-UHFFFAOYSA-N 0 0 344.314 3.136 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598804104 460041537 /nfs/dbraw/zinc/04/15/37/460041537.db2.gz SADQVBYHUBXVKO-UTUOFQBUSA-N 0 0 332.356 3.131 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000598805676 460042830 /nfs/dbraw/zinc/04/28/30/460042830.db2.gz KEANTUBUFQUYJX-OLZOCXBDSA-N 0 0 328.372 3.029 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C(F)(F)F)cnn1C ZINC000598844202 460062683 /nfs/dbraw/zinc/06/26/83/460062683.db2.gz OWCVCZYDEWQUCU-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598867065 460074722 /nfs/dbraw/zinc/07/47/22/460074722.db2.gz CSMPWYLQIZIUIP-CYBMUJFWSA-N 0 0 332.400 3.042 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000598873689 460078675 /nfs/dbraw/zinc/07/86/75/460078675.db2.gz YWRWQEPFENZSNM-CYBMUJFWSA-N 0 0 332.400 3.304 10 5 EGBERN CCCc1nccnc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598875218 460079959 /nfs/dbraw/zinc/07/99/59/460079959.db2.gz IBAAGHYTTJOFEW-NSHDSACASA-N 0 0 346.412 3.457 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598881420 460081722 /nfs/dbraw/zinc/08/17/22/460081722.db2.gz RFAQCNWRVJUIAD-DOTOQJQBSA-N 0 0 332.400 3.469 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2cccnc21 ZINC000594068084 460084492 /nfs/dbraw/zinc/08/44/92/460084492.db2.gz GZONIBYLVQFIGE-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594071358 460086120 /nfs/dbraw/zinc/08/61/20/460086120.db2.gz ZJAZJGOZTSHMLA-SJORKVTESA-N 0 0 332.400 3.289 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](CC(F)(F)F)C1)OCCO2 ZINC000618613935 460086503 /nfs/dbraw/zinc/08/65/03/460086503.db2.gz GNEXIXCDTDNXON-SNVBAGLBSA-N 0 0 346.305 3.140 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc(F)c3)CC2)c1 ZINC000610224520 460086530 /nfs/dbraw/zinc/08/65/30/460086530.db2.gz VLFIIHYIBNAEOK-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cncc2c1CCCC2 ZINC000597870130 460088076 /nfs/dbraw/zinc/08/80/76/460088076.db2.gz LTOLJFSASRNEOY-UHFFFAOYSA-N 0 0 329.331 3.189 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2cccn2C)c1 ZINC000589495136 460094913 /nfs/dbraw/zinc/09/49/13/460094913.db2.gz AOKFKDAEZBVKRJ-KRWDZBQOSA-N 0 0 343.383 3.057 10 5 EGBERN Cc1ccc([C@@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938609 460095462 /nfs/dbraw/zinc/09/54/62/460095462.db2.gz BUIAMSNBHOHLDM-FZKQIMNGSA-N 0 0 339.395 3.267 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3[C@H]2C)c1 ZINC000589502307 460096809 /nfs/dbraw/zinc/09/68/09/460096809.db2.gz OBTOPFUFOBJMTC-GFCCVEGCSA-N 0 0 326.352 3.458 10 5 EGBERN Cc1nc(N2CCc3nccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000598940825 460097013 /nfs/dbraw/zinc/09/70/13/460097013.db2.gz AKHXYAGKVPHYIX-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594094082 460098410 /nfs/dbraw/zinc/09/84/10/460098410.db2.gz GIHPHWCGXPBWNC-NWDGAFQWSA-N 0 0 347.293 3.216 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597918281 460111111 /nfs/dbraw/zinc/11/11/11/460111111.db2.gz FCXHUDMSIXNZEB-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN C[C@@H](C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000594139405 460122237 /nfs/dbraw/zinc/12/22/37/460122237.db2.gz ITJLMCNRUKVJBV-NQBHXWOUSA-N 0 0 338.379 3.300 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597952412 460125184 /nfs/dbraw/zinc/12/51/84/460125184.db2.gz RYGGOZMJDASSAU-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1ccc2c(c1)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000597966526 460127330 /nfs/dbraw/zinc/12/73/30/460127330.db2.gz XOAISLMZUCAHCF-UHFFFAOYSA-N 0 0 346.333 3.309 10 5 EGBERN Cc1ccc(CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000576381669 460129872 /nfs/dbraw/zinc/12/98/72/460129872.db2.gz YEZGNUGTVKKDDE-UHFFFAOYSA-N 0 0 341.367 3.269 10 5 EGBERN COc1ccc(CC(=O)N2CCC(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000597994816 460139892 /nfs/dbraw/zinc/13/98/92/460139892.db2.gz LJZIXYONHIADGN-UHFFFAOYSA-N 0 0 332.400 3.185 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594203553 460149323 /nfs/dbraw/zinc/14/93/23/460149323.db2.gz NNQOQBWWCTUGLZ-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594212255 460153916 /nfs/dbraw/zinc/15/39/16/460153916.db2.gz LXMPCLRCMYGRCG-VUCTXSBTSA-N 0 0 347.415 3.303 10 5 EGBERN C[N@H+]1Cc2ccccc2[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000589864891 460154226 /nfs/dbraw/zinc/15/42/26/460154226.db2.gz CZAJJGYCEIBHPX-KRWDZBQOSA-N 0 0 334.379 3.164 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594211914 460154578 /nfs/dbraw/zinc/15/45/78/460154578.db2.gz HUNWPPXZYSADOG-UXIGCNINSA-N 0 0 335.404 3.301 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000599083327 460155625 /nfs/dbraw/zinc/15/56/25/460155625.db2.gz ISHXBMYYFFKNAU-UHFFFAOYSA-N 0 0 329.356 3.097 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000598066691 460158793 /nfs/dbraw/zinc/15/87/93/460158793.db2.gz FFKYCDHWQQHTHF-CYBMUJFWSA-N 0 0 334.351 3.147 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594237138 460164379 /nfs/dbraw/zinc/16/43/79/460164379.db2.gz ABSSNDFHFXHDJA-OLZOCXBDSA-N 0 0 337.420 3.406 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594236912 460164388 /nfs/dbraw/zinc/16/43/88/460164388.db2.gz XUNHNEKPEVVQJY-DYVFJYSZSA-N 0 0 342.399 3.371 10 5 EGBERN COc1cccc([C@H](CNc2c(OC)cccc2[N+](=O)[O-])OC)c1 ZINC000599114734 460164360 /nfs/dbraw/zinc/16/43/60/460164360.db2.gz APDCZVRTFFDMRE-INIZCTEOSA-N 0 0 332.356 3.412 10 5 EGBERN CC(C)(C)N1C[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599110300 460164380 /nfs/dbraw/zinc/16/43/80/460164380.db2.gz PMOFKBWRCVUQOC-GFCCVEGCSA-N 0 0 342.399 3.202 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H](n1cccn1)C(F)(F)F ZINC000599116423 460164731 /nfs/dbraw/zinc/16/47/31/460164731.db2.gz HPNYAXFKUNOFKA-ZDUSSCGKSA-N 0 0 344.293 3.153 10 5 EGBERN CC[C@H](NC(=O)NCC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599120793 460166907 /nfs/dbraw/zinc/16/69/07/460166907.db2.gz ZFJUCNZKFZQTHV-CJNGLKHVSA-N 0 0 335.404 3.162 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(SC[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000599125291 460168009 /nfs/dbraw/zinc/16/80/09/460168009.db2.gz CGUZMPQBLHNTBG-AYMMMOKOSA-N 0 0 333.456 3.198 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC000599133898 460170061 /nfs/dbraw/zinc/17/00/61/460170061.db2.gz BBMZAXPYHKVTHH-KGLIPLIRSA-N 0 0 349.456 3.207 10 5 EGBERN CNc1c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598099946 460174123 /nfs/dbraw/zinc/17/41/23/460174123.db2.gz GTQTXTLJOZZULF-XHDPSFHLSA-N 0 0 325.368 3.095 10 5 EGBERN CCC(F)(F)CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000599149863 460177260 /nfs/dbraw/zinc/17/72/60/460177260.db2.gz SMAAEBCVPVECNL-UHFFFAOYSA-N 0 0 333.310 3.028 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599182629 460191118 /nfs/dbraw/zinc/19/11/18/460191118.db2.gz ZSYKWWHIZFPRDY-CABZTGNLSA-N 0 0 327.178 3.337 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599189694 460194102 /nfs/dbraw/zinc/19/41/02/460194102.db2.gz UUWLCNMRVYGQHC-AWEZNQCLSA-N 0 0 328.368 3.125 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598183466 460197499 /nfs/dbraw/zinc/19/74/99/460197499.db2.gz FJLSRVHPFUGEET-LJQANCHMSA-N 0 0 346.427 3.269 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000599201263 460197724 /nfs/dbraw/zinc/19/77/24/460197724.db2.gz HTWSYPDYBSTBKA-QAVQXKDTSA-N 0 0 328.372 3.426 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598208562 460204454 /nfs/dbraw/zinc/20/44/54/460204454.db2.gz OLWHNWCQPWIZLC-XUJVJEKNSA-N 0 0 327.384 3.171 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000598214287 460206048 /nfs/dbraw/zinc/20/60/48/460206048.db2.gz SQPYATDWSLFLPF-KOLCDFICSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CC1(F)F ZINC000598215027 460207485 /nfs/dbraw/zinc/20/74/85/460207485.db2.gz GMCKDXRPROQYNB-RNCFNFMXSA-N 0 0 330.356 3.237 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598227569 460214403 /nfs/dbraw/zinc/21/44/03/460214403.db2.gz CGYGAXKFTBOVEN-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)(F)F)C1 ZINC000610744924 460230326 /nfs/dbraw/zinc/23/03/26/460230326.db2.gz LBSOFUCSSCCWMM-VIFPVBQESA-N 0 0 348.346 3.486 10 5 EGBERN CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000610771683 460234572 /nfs/dbraw/zinc/23/45/72/460234572.db2.gz PXRDBJYEYFCJSY-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000599537460 460269931 /nfs/dbraw/zinc/26/99/31/460269931.db2.gz MWWPMVSTLWRVHM-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN Cc1noc(CN2CCc3c(cccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000599616134 460288034 /nfs/dbraw/zinc/28/80/34/460288034.db2.gz YTIMIZFSJZIQNH-UHFFFAOYSA-N 0 0 341.289 3.468 10 5 EGBERN CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000611147054 460296437 /nfs/dbraw/zinc/29/64/37/460296437.db2.gz QFNASPHYFGEFHF-MRXNPFEDSA-N 0 0 349.431 3.032 10 5 EGBERN C[C@H](NC(=O)Nc1cnn(C)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000611163036 460299436 /nfs/dbraw/zinc/29/94/36/460299436.db2.gz VCAMXXUUKOVGJK-QMMMGPOBSA-N 0 0 339.302 3.149 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2cccnc2)CC1 ZINC000611257916 460319191 /nfs/dbraw/zinc/31/91/91/460319191.db2.gz MCYUPHJJKLJFAU-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611256256 460319774 /nfs/dbraw/zinc/31/97/74/460319774.db2.gz WVPHLYWXYVRBSP-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CC(C)(CCCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833105 460344166 /nfs/dbraw/zinc/34/41/66/460344166.db2.gz PLDREYLDAWQDGR-UHFFFAOYSA-N 0 0 346.387 3.063 10 5 EGBERN CC[C@@H](C)C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835656 460345547 /nfs/dbraw/zinc/34/55/47/460345547.db2.gz YEHSBLQZVUNZRU-NEPJUHHUSA-N 0 0 346.387 3.062 10 5 EGBERN CS[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599840862 460347073 /nfs/dbraw/zinc/34/70/73/460347073.db2.gz UTUVSPNAANOBIO-JTQLQIEISA-N 0 0 332.385 3.112 10 5 EGBERN Cc1cc(OCC(=O)NC2(C)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000619530550 460375879 /nfs/dbraw/zinc/37/58/79/460375879.db2.gz ILUVTSAPRMABGO-UHFFFAOYSA-N 0 0 342.342 3.366 10 5 EGBERN C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1F ZINC000611506238 460381788 /nfs/dbraw/zinc/38/17/88/460381788.db2.gz IYWYCDMZEGDCKF-HIFRSBDPSA-N 0 0 349.406 3.018 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611513709 460384815 /nfs/dbraw/zinc/38/48/15/460384815.db2.gz GIPMGRQQSFCNOG-ZWNOBZJWSA-N 0 0 343.786 3.180 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1F ZINC000611517640 460386280 /nfs/dbraw/zinc/38/62/80/460386280.db2.gz ZUFIJQQKTGMCOL-KCJUWKMLSA-N 0 0 332.278 3.016 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000600111114 460386499 /nfs/dbraw/zinc/38/64/99/460386499.db2.gz DZUSYKLQKGUGKF-INIZCTEOSA-N 0 0 346.362 3.084 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000611527392 460389030 /nfs/dbraw/zinc/38/90/30/460389030.db2.gz SGBBTOUKSBNJIK-NSHDSACASA-N 0 0 329.356 3.067 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(N3CCCC3)s2)n1 ZINC000611616614 460414689 /nfs/dbraw/zinc/41/46/89/460414689.db2.gz HGGRLZZVGMFLBT-UHFFFAOYSA-N 0 0 337.430 3.210 10 5 EGBERN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611615913 460415168 /nfs/dbraw/zinc/41/51/68/460415168.db2.gz GZNWONOIOKLCSL-ZFWWWQNUSA-N 0 0 348.447 3.128 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611627310 460419008 /nfs/dbraw/zinc/41/90/08/460419008.db2.gz QHECLBCONWFNOB-UHFFFAOYSA-N 0 0 346.673 3.373 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000615911886 460428586 /nfs/dbraw/zinc/42/85/86/460428586.db2.gz BRMWIFOOKFYGKI-UHFFFAOYSA-N 0 0 342.277 3.223 10 5 EGBERN Cc1ccc(OCCN(C)c2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611700778 460432912 /nfs/dbraw/zinc/43/29/12/460432912.db2.gz WHCUOJWPJAPMIE-UHFFFAOYSA-N 0 0 338.367 3.362 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(F)(F)CC1 ZINC000619807975 460447510 /nfs/dbraw/zinc/44/75/10/460447510.db2.gz SDONFLBHQXGMSB-UHFFFAOYSA-N 0 0 337.330 3.109 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604562521 460449331 /nfs/dbraw/zinc/44/93/31/460449331.db2.gz WVWKLTZDPKKCDD-GFCCVEGCSA-N 0 0 346.305 3.087 10 5 EGBERN CC(=O)C(C)(C)CCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000616017432 460451663 /nfs/dbraw/zinc/45/16/63/460451663.db2.gz PBBLSVSTIMVSPG-UHFFFAOYSA-N 0 0 346.387 3.180 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000600266894 460461199 /nfs/dbraw/zinc/46/11/99/460461199.db2.gz AZGDVIKVIJFXFX-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600279411 460463783 /nfs/dbraw/zinc/46/37/83/460463783.db2.gz OSSXVZZDBIXRFV-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600301784 460466962 /nfs/dbraw/zinc/46/69/62/460466962.db2.gz LDHUNMRHEZNKSG-MRXNPFEDSA-N 0 0 329.331 3.400 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000600305609 460468992 /nfs/dbraw/zinc/46/89/92/460468992.db2.gz SYRUYRMKSSOYEU-OAHLLOKOSA-N 0 0 346.427 3.381 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000616121602 460478218 /nfs/dbraw/zinc/47/82/18/460478218.db2.gz OVXRNCZDEFTSKN-NSHDSACASA-N 0 0 343.330 3.447 10 5 EGBERN CCC(F)(F)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600379958 460486504 /nfs/dbraw/zinc/48/65/04/460486504.db2.gz KXBZZHHQOXFTIZ-UHFFFAOYSA-N 0 0 341.339 3.493 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600394826 460489200 /nfs/dbraw/zinc/48/92/00/460489200.db2.gz TZABMNQMXAEVLB-UHFFFAOYSA-N 0 0 340.330 3.272 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc([N+](=O)[O-])c1C ZINC000600444351 460496944 /nfs/dbraw/zinc/49/69/44/460496944.db2.gz GDISKLINERWUAG-QWHCGFSZSA-N 0 0 332.381 3.259 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1=O ZINC000600536844 460515055 /nfs/dbraw/zinc/51/50/55/460515055.db2.gz MUKNYNKJLHPGTA-MNOVXSKESA-N 0 0 346.305 3.003 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1ccccc1OC1CC1)CCCC2 ZINC000600561382 460524138 /nfs/dbraw/zinc/52/41/38/460524138.db2.gz FWAAEPOWYDXANQ-UHFFFAOYSA-N 0 0 340.379 3.225 10 5 EGBERN CC(C)O[C@]1(CSCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000600571305 460529031 /nfs/dbraw/zinc/52/90/31/460529031.db2.gz UGROTVNEMKXRBD-MRXNPFEDSA-N 0 0 341.429 3.291 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)nn1CC ZINC000600605383 460542899 /nfs/dbraw/zinc/54/28/99/460542899.db2.gz MYKHSVBFGACHOS-AWEZNQCLSA-N 0 0 330.388 3.327 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1C(C)(C)C1(F)F ZINC000601196392 460747574 /nfs/dbraw/zinc/74/75/74/460747574.db2.gz JHZZEUQSCAQCIR-RXMQYKEDSA-N 0 0 328.241 3.050 10 5 EGBERN CCOC(=O)c1ccnc(N2CC(C)(C)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000601209746 460752039 /nfs/dbraw/zinc/75/20/39/460752039.db2.gz JTLIZCDNAGSLFH-CQSZACIVSA-N 0 0 345.355 3.347 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](c4cccnc4)C3)c21 ZINC000601216951 460754838 /nfs/dbraw/zinc/75/48/38/460754838.db2.gz KDHPMCVCLIKTHK-CQSZACIVSA-N 0 0 335.367 3.317 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000601225958 460756908 /nfs/dbraw/zinc/75/69/08/460756908.db2.gz BSPGPYBKWSAPGJ-LBPRGKRZSA-N 0 0 344.346 3.459 10 5 EGBERN COc1cc(C(=O)Nc2cccc3cnncc32)cc([N+](=O)[O-])c1C ZINC000617146620 460758284 /nfs/dbraw/zinc/75/82/84/460758284.db2.gz GLZFZAGASDDYNU-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000601249392 460764819 /nfs/dbraw/zinc/76/48/19/460764819.db2.gz CMLGFIKZJUCVGJ-AAEUAGOBSA-N 0 0 330.319 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000601256968 460767715 /nfs/dbraw/zinc/76/77/15/460767715.db2.gz ZSEWMCBKNSCGLD-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289930 460778094 /nfs/dbraw/zinc/77/80/94/460778094.db2.gz WSBMMDRWKOEARA-CVEARBPZSA-N 0 0 326.400 3.340 10 5 EGBERN CC(C)[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601404023 460805879 /nfs/dbraw/zinc/80/58/79/460805879.db2.gz FACSZYAYIOTERK-DOTOQJQBSA-N 0 0 346.427 3.336 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601450999 460814043 /nfs/dbraw/zinc/81/40/43/460814043.db2.gz MWHUOKQYKYEDSJ-JTQLQIEISA-N 0 0 348.378 3.485 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N(c2ccccc2)C2CCC2)cc1 ZINC000601499605 460819384 /nfs/dbraw/zinc/81/93/84/460819384.db2.gz GMSUWRBJIYTJOW-UHFFFAOYSA-N 0 0 346.408 3.484 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1([C@H]2CCCCO2)CCC1 ZINC000601559133 460832053 /nfs/dbraw/zinc/83/20/53/460832053.db2.gz AURQWUVNUBHYIE-MRXNPFEDSA-N 0 0 347.415 3.133 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)n1 ZINC000617362688 460832647 /nfs/dbraw/zinc/83/26/47/460832647.db2.gz POIUIQHAKDJMTO-UHFFFAOYSA-N 0 0 346.387 3.370 10 5 EGBERN COCc1sccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000601573181 460836416 /nfs/dbraw/zinc/83/64/16/460836416.db2.gz QJJUKDAFBXLPDW-UHFFFAOYSA-N 0 0 334.397 3.117 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc2c1C(=O)CC2 ZINC000601573741 460836774 /nfs/dbraw/zinc/83/67/74/460836774.db2.gz VELKPEWKVHWUTA-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN O=C(N[C@]12C[C@H]1CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000601770350 460894517 /nfs/dbraw/zinc/89/45/17/460894517.db2.gz DMQXMIQHSHVGLZ-YMTOWFKASA-N 0 0 339.189 3.420 10 5 EGBERN CC(C)(C(=O)Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000601826126 460913875 /nfs/dbraw/zinc/91/38/75/460913875.db2.gz TWUCJLQCQQZSCW-UHFFFAOYSA-N 0 0 346.362 3.183 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000601839455 460919541 /nfs/dbraw/zinc/91/95/41/460919541.db2.gz GFHPKVMLINKFJW-NWDGAFQWSA-N 0 0 346.364 3.185 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnn1CC1CCC1 ZINC000601884374 460935860 /nfs/dbraw/zinc/93/58/60/460935860.db2.gz LAXFUYNCZHLKAQ-UHFFFAOYSA-N 0 0 346.412 3.322 10 5 EGBERN O=C(c1coc(C2CCCC2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000613639065 461022845 /nfs/dbraw/zinc/02/28/45/461022845.db2.gz CTBDCMCVIKFUCI-UHFFFAOYSA-N 0 0 327.340 3.443 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000191324992 534055354 /nfs/dbraw/zinc/05/53/54/534055354.db2.gz QOPNGFNKZZEVMC-KSSFIOAISA-N 0 0 347.415 3.371 10 5 EGBERN Cc1nc(NCCc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000132141761 534490775 /nfs/dbraw/zinc/49/07/75/534490775.db2.gz YXWVDECBGSEOSF-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000184158790 527526827 /nfs/dbraw/zinc/52/68/27/527526827.db2.gz PKFNWAXYHNFXJN-LQIMAGMGSA-N 0 0 330.384 3.072 10 5 EGBERN CC(C)c1ccc(NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1 ZINC000153651111 528112917 /nfs/dbraw/zinc/11/29/17/528112917.db2.gz UHXIVMWALXYPRT-UHFFFAOYSA-N 0 0 349.774 3.172 10 5 EGBERN CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000175112753 529193361 /nfs/dbraw/zinc/19/33/61/529193361.db2.gz UBBHFFLWXIETAF-MRXNPFEDSA-N 0 0 334.397 3.166 10 5 EGBERN CC(=O)c1cnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000265940250 534934143 /nfs/dbraw/zinc/93/41/43/534934143.db2.gz BVEQBHOQBMHWGK-UHFFFAOYSA-N 0 0 333.369 3.170 10 5 EGBERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000233396348 535747616 /nfs/dbraw/zinc/74/76/16/535747616.db2.gz JWWRUICAWUNYOH-WPRPVWTQSA-N 0 0 327.178 3.276 10 5 EGBERN CCC[C@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000233389837 535752257 /nfs/dbraw/zinc/75/22/57/535752257.db2.gz JWWRUICAWUNYOH-WCBMZHEXSA-N 0 0 327.178 3.276 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374600691 536949918 /nfs/dbraw/zinc/94/99/18/536949918.db2.gz JJVAIPDRDCTWJC-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592004897 548103722 /nfs/dbraw/zinc/10/37/22/548103722.db2.gz COQOVCCVCXLKIU-ZDUSSCGKSA-N 0 0 337.738 3.360 10 5 EGBERN C[C@H]1CSC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672222272 548410757 /nfs/dbraw/zinc/41/07/57/548410757.db2.gz OYRUPSNJTJBBIH-MEDUHNTESA-N 0 0 338.432 3.163 10 5 EGBERN CC[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000726006311 574521815 /nfs/dbraw/zinc/52/18/15/574521815.db2.gz HTUZQDNFIIHHPD-HNNXBMFYSA-N 0 0 348.355 3.315 10 5 EGBERN CCN(CCc1ccccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000726769140 574571253 /nfs/dbraw/zinc/57/12/53/574571253.db2.gz GZAMZKAPQZCONV-UHFFFAOYSA-N 0 0 338.367 3.176 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727745909 574688239 /nfs/dbraw/zinc/68/82/39/574688239.db2.gz YMVIGWLSUQTUHF-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN CN(C(=O)OC(C)(C)C)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000730569531 575002225 /nfs/dbraw/zinc/00/22/25/575002225.db2.gz WQRKUZIEHDIUGB-UHFFFAOYSA-N 0 0 341.433 3.492 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000732401563 575266733 /nfs/dbraw/zinc/26/67/33/575266733.db2.gz JPUOIFGLAILWKA-VOTSOKGWSA-N 0 0 340.763 3.332 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000734404952 575481087 /nfs/dbraw/zinc/48/10/87/575481087.db2.gz OPDONDJIJGKOSK-VXGBXAGGSA-N 0 0 335.360 3.449 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc2c(c1)CCC2 ZINC000734578816 575519865 /nfs/dbraw/zinc/51/98/65/575519865.db2.gz PLEVBWQXUIZNMA-UHFFFAOYSA-N 0 0 326.352 3.239 10 5 EGBERN O=C(COc1ccc(O)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000735535350 575676183 /nfs/dbraw/zinc/67/61/83/575676183.db2.gz FZHRXLOIWWREPM-UHFFFAOYSA-N 0 0 337.715 3.076 10 5 EGBERN COc1ccc(CC(=O)OCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000739335509 576397983 /nfs/dbraw/zinc/39/79/83/576397983.db2.gz FJGGDALDAQCKAL-UHFFFAOYSA-N 0 0 333.262 3.032 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCc2cccc([N+](=O)[O-])c2C)c1N ZINC000741039918 576651020 /nfs/dbraw/zinc/65/10/20/576651020.db2.gz WAEYHRWNZGJVNW-UHFFFAOYSA-N 0 0 348.330 3.380 10 5 EGBERN CC(C)(C)[C@H](Cc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000741114776 576655442 /nfs/dbraw/zinc/65/54/42/576655442.db2.gz IZZVHIHECJDTPU-INIZCTEOSA-N 0 0 345.399 3.382 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000741988862 576739644 /nfs/dbraw/zinc/73/96/44/576739644.db2.gz DDMMHWRZPNFHKC-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000742464989 576785878 /nfs/dbraw/zinc/78/58/78/576785878.db2.gz XOUSCQPPNAPRCC-LLVKDONJSA-N 0 0 337.376 3.145 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000743545127 576811595 /nfs/dbraw/zinc/81/15/95/576811595.db2.gz MCYCVBRFUZNKKF-GFCCVEGCSA-N 0 0 344.415 3.275 10 5 EGBERN O=C(OCCN1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000744252235 576824006 /nfs/dbraw/zinc/82/40/06/576824006.db2.gz QBUAPNBHWMQLHN-UHFFFAOYSA-N 0 0 344.342 3.344 10 5 EGBERN CCn1nc(C)c(C(=O)OCc2csc([N+](=O)[O-])c2)c1Cl ZINC000745360348 576846411 /nfs/dbraw/zinc/84/64/11/576846411.db2.gz BENWTKYBNKLBJJ-UHFFFAOYSA-N 0 0 329.765 3.192 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000745392624 576847370 /nfs/dbraw/zinc/84/73/70/576847370.db2.gz ZVQRFQZGDZJSFJ-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000094295974 1292942548 /nfs/dbraw/zinc/94/25/48/1292942548.db2.gz QTVUXOHPYSRKAB-LLVKDONJSA-N 0 0 346.177 3.386 10 5 EGBERN Cc1ccc(NC(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000096911604 1292955276 /nfs/dbraw/zinc/95/52/76/1292955276.db2.gz QABHHWCBDIJIMD-DAXSKMNVSA-N 0 0 340.335 3.422 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C1CCCC1)C1CCCC1 ZINC000117692147 1293225220 /nfs/dbraw/zinc/22/52/20/1293225220.db2.gz MFSZNWOPHDQCAM-UHFFFAOYSA-N 0 0 348.447 3.355 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000133481168 1293745294 /nfs/dbraw/zinc/74/52/94/1293745294.db2.gz AJBXDJCKEFDQDF-SNVBAGLBSA-N 0 0 332.150 3.078 10 5 EGBERN CNc1ncc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000159707905 1294244542 /nfs/dbraw/zinc/24/45/42/1294244542.db2.gz FYDIBISYLMSJJA-UHFFFAOYSA-N 0 0 340.792 3.019 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000176092262 1294591215 /nfs/dbraw/zinc/59/12/15/1294591215.db2.gz MNZPZEPFGVYCCT-VXGBXAGGSA-N 0 0 333.344 3.074 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000869929721 1295543128 /nfs/dbraw/zinc/54/31/28/1295543128.db2.gz GDUAEVQHAJXSHK-UYJPIKCFSA-N 0 0 339.775 3.497 10 5 EGBERN C[C@@H]1C[C@H](C(=O)OCCSc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000870278353 1295783584 /nfs/dbraw/zinc/78/35/84/1295783584.db2.gz KFQIAFJYTLDSMS-GYSYKLTISA-N 0 0 325.386 3.044 10 5 EGBERN O=C(OCc1cc(C2CC2)n[nH]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870466461 1295890577 /nfs/dbraw/zinc/89/05/77/1295890577.db2.gz VEPYKNAUKXBHLH-UHFFFAOYSA-N 0 0 341.367 3.360 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](OC)CC[C@H]1C ZINC000870720001 1296043310 /nfs/dbraw/zinc/04/33/10/1296043310.db2.gz KZEZXWMKLUPZNE-DGCLKSJQSA-N 0 0 338.429 3.346 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870731396 1296048807 /nfs/dbraw/zinc/04/88/07/1296048807.db2.gz MQEWZIXNIQTNIR-CZUORRHYSA-N 0 0 332.400 3.042 10 5 EGBERN CCc1sc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1C ZINC000870827170 1296104856 /nfs/dbraw/zinc/10/48/56/1296104856.db2.gz VNUFPWIIVCFSRR-UHFFFAOYSA-N 0 0 335.385 3.284 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000870827392 1296104879 /nfs/dbraw/zinc/10/48/79/1296104879.db2.gz ZTFPVYGGEIMLLW-UHFFFAOYSA-N 0 0 345.399 3.254 10 5 EGBERN CSc1ccsc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829724 1296107506 /nfs/dbraw/zinc/10/75/06/1296107506.db2.gz OLTCCHUNRDOQBQ-UHFFFAOYSA-N 0 0 339.398 3.135 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC(C2CC2)CC1 ZINC000870831433 1296107857 /nfs/dbraw/zinc/10/78/57/1296107857.db2.gz SNIXCXFEEBUODM-UHFFFAOYSA-N 0 0 333.388 3.254 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1([C@H]2CCCCO2)CCC1 ZINC000871041364 1296192484 /nfs/dbraw/zinc/19/24/84/1296192484.db2.gz ZGKASCGTYKUERS-CGQZWFTASA-N 0 0 344.411 3.464 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871296624 1296327075 /nfs/dbraw/zinc/32/70/75/1296327075.db2.gz CFKYEEQTIGEWCR-WMLDXEAASA-N 0 0 346.427 3.194 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871306246 1296335408 /nfs/dbraw/zinc/33/54/08/1296335408.db2.gz HADCPHABKXFFTJ-IAQYHMDHSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871326945 1296349679 /nfs/dbraw/zinc/34/96/79/1296349679.db2.gz SGDLFQRKOFDOJF-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSC[C@@H]1OCCc2ccccc21 ZINC000871695558 1296485008 /nfs/dbraw/zinc/48/50/08/1296485008.db2.gz FKZJPSXFXNDIGM-HNNXBMFYSA-N 0 0 333.413 3.147 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000871756565 1296520368 /nfs/dbraw/zinc/52/03/68/1296520368.db2.gz XGXJMHPVPALPGS-BXKDBHETSA-N 0 0 347.293 3.168 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCCc3cccnc32)c1F ZINC000872292123 1296899762 /nfs/dbraw/zinc/89/97/62/1296899762.db2.gz LKOAIJGZLBHQKT-UHFFFAOYSA-N 0 0 329.331 3.420 10 5 EGBERN CC(=O)C1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000872668067 1297046160 /nfs/dbraw/zinc/04/61/60/1297046160.db2.gz VIZVDHZYWBBMFO-UHFFFAOYSA-N 0 0 341.205 3.471 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)C1CCCCC1 ZINC000312273616 1297114325 /nfs/dbraw/zinc/11/43/25/1297114325.db2.gz FXGOUAFADWLVCQ-UHFFFAOYSA-N 0 0 342.193 3.157 10 5 EGBERN COc1ccc(CC(=O)O[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873579357 1297605346 /nfs/dbraw/zinc/60/53/46/1297605346.db2.gz BDSURJWQADTVAX-AWEZNQCLSA-N 0 0 349.383 3.181 10 5 EGBERN Cc1c(NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000875054262 1298215888 /nfs/dbraw/zinc/21/58/88/1298215888.db2.gz MCRFYGOCWSKOKG-QGHHPUGFSA-N 0 0 334.372 3.210 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2nccs2)C1 ZINC000881709794 1301701892 /nfs/dbraw/zinc/70/18/92/1301701892.db2.gz VELYEGVRTWOIEM-IEZBTEQYSA-N 0 0 343.408 3.471 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000882643620 1302042101 /nfs/dbraw/zinc/04/21/01/1302042101.db2.gz UVSVLSDDYWNPSN-BJOHPYRUSA-N 0 0 328.315 3.046 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000882638820 1302042577 /nfs/dbraw/zinc/04/25/77/1302042577.db2.gz HBIDFLHMYKJJBW-ONGXEEELSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883668751 1302544092 /nfs/dbraw/zinc/54/40/92/1302544092.db2.gz JHPMVBSQQTUWMP-AAEUAGOBSA-N 0 0 346.412 3.311 10 5 EGBERN C/C(=C/C(=O)N[C@@H](c1cnn(C)c1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000885424966 1303138211 /nfs/dbraw/zinc/13/82/11/1303138211.db2.gz UHWMAVJOWFENGZ-YVJSUPCUSA-N 0 0 342.399 3.245 10 5 EGBERN C/C(=C\C(=O)NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000887485768 1303815667 /nfs/dbraw/zinc/81/56/67/1303815667.db2.gz WLIGYHNNTVPGKS-QHLFFQLOSA-N 0 0 330.384 3.072 10 5 EGBERN CSc1ccc(C(=O)NC[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000890186082 1304700059 /nfs/dbraw/zinc/70/00/59/1304700059.db2.gz PYACVURBWNWWRB-BLLLJJGKSA-N 0 0 348.424 3.006 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC000892653057 1305490735 /nfs/dbraw/zinc/49/07/35/1305490735.db2.gz KGNDGPZWCVVMNC-UHFFFAOYSA-N 0 0 325.246 3.424 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1c(C)nn(C)c1C ZINC000893320668 1305827117 /nfs/dbraw/zinc/82/71/17/1305827117.db2.gz BWUQAVLDPXXHMN-PKNBQFBNSA-N 0 0 329.356 3.092 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000893529145 1305951966 /nfs/dbraw/zinc/95/19/66/1305951966.db2.gz OPEJFGUJOQIFDK-LBPRGKRZSA-N 0 0 346.412 3.113 10 5 EGBERN C[C@H]1Cn2nccc2N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000893906031 1306123591 /nfs/dbraw/zinc/12/35/91/1306123591.db2.gz VAYDVZYDSMDAHS-GFCCVEGCSA-N 0 0 342.399 3.385 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(F)F ZINC000894053977 1306193414 /nfs/dbraw/zinc/19/34/14/1306193414.db2.gz MYYOGUGUNZTWFE-NSHDSACASA-N 0 0 341.358 3.215 10 5 EGBERN CC(C)Oc1cc(C(=O)N(C)Cc2ccns2)ccc1[N+](=O)[O-] ZINC000894066130 1306199407 /nfs/dbraw/zinc/19/94/07/1306199407.db2.gz ACDCLJWQUQLBJJ-UHFFFAOYSA-N 0 0 335.385 3.111 10 5 EGBERN Cc1ccc(N(C(=O)CCn2cc([N+](=O)[O-])cn2)C2CCC2)cc1 ZINC000894228731 1306289677 /nfs/dbraw/zinc/28/96/77/1306289677.db2.gz IASSIMLYQOHJSL-UHFFFAOYSA-N 0 0 328.372 3.076 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386143 1306371456 /nfs/dbraw/zinc/37/14/56/1306371456.db2.gz YXOQDJOJSOGCGF-CABZTGNLSA-N 0 0 334.319 3.461 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000894502943 1308925879 /nfs/dbraw/zinc/92/58/79/1308925879.db2.gz CXPZUWLRNNHPCE-JTQLQIEISA-N 0 0 326.780 3.183 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000894502263 1308926086 /nfs/dbraw/zinc/92/60/86/1308926086.db2.gz AFKNKPNZFGTNCH-LBPRGKRZSA-N 0 0 338.429 3.008 10 5 EGBERN CC(C)(C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000894504038 1308927615 /nfs/dbraw/zinc/92/76/15/1308927615.db2.gz KUPNCXJQHXGHJN-OAHLLOKOSA-N 0 0 334.416 3.194 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000894505504 1308927657 /nfs/dbraw/zinc/92/76/57/1308927657.db2.gz DEACXQRQEACJTM-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894712427 1309032291 /nfs/dbraw/zinc/03/22/91/1309032291.db2.gz MPWYMQVUSMWHDG-LSDHHAIUSA-N 0 0 332.400 3.161 10 5 EGBERN CC(=O)c1c(NC[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000895443591 1309339135 /nfs/dbraw/zinc/33/91/35/1309339135.db2.gz OWQWNKUVCFXWBR-SKDRFNHKSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CCC3(CCC3)O2)n1 ZINC000895958665 1309612028 /nfs/dbraw/zinc/61/20/28/1309612028.db2.gz RZNCRLBZXZFRBD-CYBMUJFWSA-N 0 0 329.356 3.213 10 5 EGBERN COCCC[C@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384721 1319020483 /nfs/dbraw/zinc/02/04/83/1319020483.db2.gz COIAQLUJLZOZFS-VIFPVBQESA-N 0 0 332.759 3.066 10 5 EGBERN C[S@](=O)CCCc1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000896384711 1309833465 /nfs/dbraw/zinc/83/34/65/1309833465.db2.gz YHMGCDJLZOAKDF-DEOSSOPVSA-N 0 0 345.380 3.109 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C2CCOCC2)C1 ZINC000896592295 1309928347 /nfs/dbraw/zinc/92/83/47/1309928347.db2.gz RSSHVQZVYTXXPM-OAHLLOKOSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@H](C)O)c1C ZINC000898991392 1310900319 /nfs/dbraw/zinc/90/03/19/1310900319.db2.gz XROUSCHMHGCNLT-SUMWQHHRSA-N 0 0 328.368 3.064 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCOC12CCCC2 ZINC000929212768 1328538380 /nfs/dbraw/zinc/53/83/80/1328538380.db2.gz UNZWXYBWNVEXPC-CYBMUJFWSA-N 0 0 339.779 3.471 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1F ZINC000857650420 1328574178 /nfs/dbraw/zinc/57/41/78/1328574178.db2.gz ZQTVDZRKWDKAST-NNUKFRKNSA-N 0 0 344.342 3.382 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@H]2CC2(Cl)Cl)c1F ZINC000857686162 1328584374 /nfs/dbraw/zinc/58/43/74/1328584374.db2.gz SCFUJGOSAYDEOB-QMMMGPOBSA-N 0 0 335.162 3.356 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857737486 1328591996 /nfs/dbraw/zinc/59/19/96/1328591996.db2.gz VZZZPHWYJNMXJL-MRVPVSSYSA-N 0 0 335.162 3.356 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858007864 1328655226 /nfs/dbraw/zinc/65/52/26/1328655226.db2.gz FOVZQGOWQCBNJR-ZDUSSCGKSA-N 0 0 346.412 3.372 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1 ZINC000858038803 1328668179 /nfs/dbraw/zinc/66/81/79/1328668179.db2.gz PBNXCIMKZNMMEG-OAHLLOKOSA-N 0 0 331.347 3.091 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000899691272 1317136794 /nfs/dbraw/zinc/13/67/94/1317136794.db2.gz MLSXICXIERZVLH-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC000899750016 1317143481 /nfs/dbraw/zinc/14/34/81/1317143481.db2.gz CBEGNZWKKAOGGF-CQSZACIVSA-N 0 0 349.431 3.013 10 5 EGBERN Cc1nnsc1[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748389 1328686417 /nfs/dbraw/zinc/68/64/17/1328686417.db2.gz JDEWSBCAJBQYKS-LBPRGKRZSA-N 0 0 348.428 3.359 10 5 EGBERN CC1([C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)OCCO1 ZINC000858481539 1328775594 /nfs/dbraw/zinc/77/55/94/1328775594.db2.gz JFKQULDFWZOVSW-CQSZACIVSA-N 0 0 343.383 3.122 10 5 EGBERN CC(C)(C)CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000930101999 1328785932 /nfs/dbraw/zinc/78/59/32/1328785932.db2.gz WYPXGSPYNKHNOG-UHFFFAOYSA-N 0 0 348.447 3.101 10 5 EGBERN C[C@H]1C[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000913385328 1319019953 /nfs/dbraw/zinc/01/99/53/1319019953.db2.gz XVOJOPZZHRXRMN-WCBMZHEXSA-N 0 0 342.754 3.009 10 5 EGBERN CCC[C@H](OCC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386262 1319021056 /nfs/dbraw/zinc/02/10/56/1319021056.db2.gz SAKNCEFMHJVRGA-LBPRGKRZSA-N 0 0 332.759 3.209 10 5 EGBERN CC(C)c1nocc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386913 1319021231 /nfs/dbraw/zinc/02/12/31/1319021231.db2.gz KNUVUEDAAAKTQG-UHFFFAOYSA-N 0 0 341.726 3.429 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385714 1319021309 /nfs/dbraw/zinc/02/13/09/1319021309.db2.gz BVRWWOQBCNJADH-VXFNFUGZSA-N 0 0 344.770 3.063 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](n1cccn1)C(F)(F)F ZINC000858656184 1328819801 /nfs/dbraw/zinc/81/98/01/1328819801.db2.gz XEXQGHZBZXBVLG-CYBMUJFWSA-N 0 0 342.277 3.209 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)OCCCC(=O)c1ccccc1 ZINC000914910049 1319398716 /nfs/dbraw/zinc/39/87/16/1319398716.db2.gz CHTUEQLRDMFPRH-UHFFFAOYSA-N 0 0 343.335 3.180 10 5 EGBERN O=C(OC[C@H]1CC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915128901 1319429443 /nfs/dbraw/zinc/42/94/43/1319429443.db2.gz UMBINUAGWNWHED-ZDUSSCGKSA-N 0 0 327.340 3.294 10 5 EGBERN COc1cccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2(C)C)c1 ZINC000915949331 1319570116 /nfs/dbraw/zinc/57/01/16/1319570116.db2.gz NAVFIHBGEMOJHU-CQSZACIVSA-N 0 0 343.383 3.340 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000916773705 1319706776 /nfs/dbraw/zinc/70/67/76/1319706776.db2.gz XWKFTELBLWKVRT-RNLVFQAGSA-N 0 0 336.136 3.154 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000858735283 1328846212 /nfs/dbraw/zinc/84/62/12/1328846212.db2.gz FWRSAYJDQCGUJV-ZDUSSCGKSA-N 0 0 327.340 3.207 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000858735905 1328846858 /nfs/dbraw/zinc/84/68/58/1328846858.db2.gz YJHLURLDTAUVQD-ZDUSSCGKSA-N 0 0 327.340 3.207 10 5 EGBERN CCOc1ccccc1CN(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000917092710 1319755677 /nfs/dbraw/zinc/75/56/77/1319755677.db2.gz YDCCDRTVJNDXTE-UHFFFAOYSA-N 0 0 328.328 3.166 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])OCCCOC1CCCCC1 ZINC000918516325 1319963905 /nfs/dbraw/zinc/96/39/05/1319963905.db2.gz CXVHNMNMPLMVCI-UHFFFAOYSA-N 0 0 337.372 3.256 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000858805540 1328865589 /nfs/dbraw/zinc/86/55/89/1328865589.db2.gz QFTWRFLFISPZJP-HRCADAONSA-N 0 0 326.400 3.360 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC000858836673 1328871910 /nfs/dbraw/zinc/87/19/10/1328871910.db2.gz HPKCTTKRXMLSFU-OAHLLOKOSA-N 0 0 326.352 3.497 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCOc3cc(F)ccc3C2)c1 ZINC000858862864 1328879095 /nfs/dbraw/zinc/87/90/95/1328879095.db2.gz URLLEQPSWSYXAV-UHFFFAOYSA-N 0 0 336.294 3.281 10 5 EGBERN CCN(C[C@@H]1CCOC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930685931 1328937942 /nfs/dbraw/zinc/93/79/42/1328937942.db2.gz WETXOPIDEAAWJO-LBPRGKRZSA-N 0 0 340.807 3.066 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@H]3CC[C@@H](C4CC4)O3)n2)c1 ZINC000920417995 1322175556 /nfs/dbraw/zinc/17/55/56/1322175556.db2.gz WITWCWMNHRGFBO-KGLIPLIRSA-N 0 0 348.790 3.464 10 5 EGBERN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]2CCO[C@H]21 ZINC000859546871 1329014231 /nfs/dbraw/zinc/01/42/31/1329014231.db2.gz RMCSDMRMACDBKN-USXIJHARSA-N 0 0 340.379 3.291 10 5 EGBERN C[C@@H](NS(=O)(=O)CC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921365778 1322302134 /nfs/dbraw/zinc/30/21/34/1322302134.db2.gz USKDMCCZYFCCDA-GFCCVEGCSA-N 0 0 338.429 3.156 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000921807974 1322401463 /nfs/dbraw/zinc/40/14/63/1322401463.db2.gz WLCKHVKNLAORKT-DOMZBBRYSA-N 0 0 340.383 3.428 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000923240585 1322717995 /nfs/dbraw/zinc/71/79/95/1322717995.db2.gz LDKJYOJGGMHXRX-BNOWGMLFSA-N 0 0 335.356 3.097 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1C[C@@]12CCOC2 ZINC000923596966 1322779433 /nfs/dbraw/zinc/77/94/33/1322779433.db2.gz BSKKCLYICJNJPK-BLLLJJGKSA-N 0 0 339.775 3.151 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000923906215 1322843727 /nfs/dbraw/zinc/84/37/27/1322843727.db2.gz AHCUUCPTYAAZIV-HIFRSBDPSA-N 0 0 347.415 3.162 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CCc1nc(CCC2CCOCC2)no1 ZINC000924081462 1322894006 /nfs/dbraw/zinc/89/40/06/1322894006.db2.gz OJDKYQIGBFDYAS-UHFFFAOYSA-N 0 0 349.362 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@@H]2CC(C)(C)CO2)c1F ZINC000924178244 1322924820 /nfs/dbraw/zinc/92/48/20/1322924820.db2.gz GTNZGTXNWBPPPQ-SNVBAGLBSA-N 0 0 342.342 3.116 10 5 EGBERN CCO[C@@H](COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000924239189 1322948588 /nfs/dbraw/zinc/94/85/88/1322948588.db2.gz CSFXLTCCESIUAI-AWEZNQCLSA-N 0 0 327.764 3.149 10 5 EGBERN O=C(C[C@@H]1CCCC1(F)F)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000924332013 1322986093 /nfs/dbraw/zinc/98/60/93/1322986093.db2.gz PYNOJOMRDXHKRU-NSHDSACASA-N 0 0 327.283 3.146 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000924374374 1323000799 /nfs/dbraw/zinc/00/07/99/1323000799.db2.gz TUVGIMAKWYUIMX-XYYAHUGASA-N 0 0 347.367 3.331 10 5 EGBERN C[C@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C=CCC1 ZINC000924399496 1323008246 /nfs/dbraw/zinc/00/82/46/1323008246.db2.gz BCXFXYPHSKHNQA-HNNXBMFYSA-N 0 0 338.747 3.086 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000931173251 1329066056 /nfs/dbraw/zinc/06/60/56/1329066056.db2.gz WGBKPYHEEXRTTP-OAHLLOKOSA-N 0 0 334.420 3.061 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000924954511 1323227348 /nfs/dbraw/zinc/22/73/48/1323227348.db2.gz IVQMAAXQVQPPCK-LBPRGKRZSA-N 0 0 330.388 3.376 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000931263360 1329081676 /nfs/dbraw/zinc/08/16/76/1329081676.db2.gz QIZVFGXPIRWPJD-CLFYSBASSA-N 0 0 344.279 3.482 10 5 EGBERN C[C@@H]1C(=O)CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000931334748 1329096305 /nfs/dbraw/zinc/09/63/05/1329096305.db2.gz PJJQFDNAPAYZBC-LLVKDONJSA-N 0 0 333.388 3.478 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H]2C(F)F)o1 ZINC000931423826 1329114749 /nfs/dbraw/zinc/11/47/49/1329114749.db2.gz DMLIIWVFBPUTGU-VIFPVBQESA-N 0 0 344.705 3.138 10 5 EGBERN COC(=O)c1oc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000859968438 1329120293 /nfs/dbraw/zinc/12/02/93/1329120293.db2.gz CZUZAHVSEYVGBQ-JTQLQIEISA-N 0 0 333.296 3.201 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860119107 1329151309 /nfs/dbraw/zinc/15/13/09/1329151309.db2.gz KDDZOHJLBRMPBB-PELKAZGASA-N 0 0 348.580 3.465 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000860119974 1329151446 /nfs/dbraw/zinc/15/14/46/1329151446.db2.gz PCQJORXUCCGZKC-BXKDBHETSA-N 0 0 348.580 3.465 10 5 EGBERN COc1ccc(OCCOC(=O)[C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000860174041 1329166299 /nfs/dbraw/zinc/16/62/99/1329166299.db2.gz IKFFSSVHOLIJIW-CYBMUJFWSA-N 0 0 335.356 3.106 10 5 EGBERN C[C@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860178423 1329167305 /nfs/dbraw/zinc/16/73/05/1329167305.db2.gz AECSAGBXEOASQZ-FZMZJTMJSA-N 0 0 332.356 3.045 10 5 EGBERN CC(C)[S@@](C)(=O)=NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000926049365 1325404672 /nfs/dbraw/zinc/40/46/72/1325404672.db2.gz FQOUUIGWOBCNPL-OAQYLSRUSA-N 0 0 332.809 3.214 10 5 EGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCCO1 ZINC000862146746 1329461959 /nfs/dbraw/zinc/46/19/59/1329461959.db2.gz ATLCLGIYQWYCIC-WCQYABFASA-N 0 0 326.780 3.326 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1nccc2c1CCCC2 ZINC000927617635 1328081669 /nfs/dbraw/zinc/08/16/69/1328081669.db2.gz PLPMQHZMLBVMBR-UHFFFAOYSA-N 0 0 339.395 3.118 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2c(s1)CCC2 ZINC000927655286 1328092603 /nfs/dbraw/zinc/09/26/03/1328092603.db2.gz WSMHSQBZTDTSOK-LUAWRHEFSA-N 0 0 343.408 3.260 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928145669 1328216072 /nfs/dbraw/zinc/21/60/72/1328216072.db2.gz QTIMHOVYOCYLSJ-LLVKDONJSA-N 0 0 334.319 3.023 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000928247584 1328254554 /nfs/dbraw/zinc/25/45/54/1328254554.db2.gz YJIKZOTYNUSNFH-RISCZKNCSA-N 0 0 344.342 3.162 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H](Cc2nccs2)C1 ZINC000928270708 1328267873 /nfs/dbraw/zinc/26/78/73/1328267873.db2.gz JUDGNPVYSVQPMY-LLVKDONJSA-N 0 0 349.387 3.285 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](Cc2nccs2)C1 ZINC000928272591 1328269230 /nfs/dbraw/zinc/26/92/30/1328269230.db2.gz ASTSOVMOKHHLKH-LLVKDONJSA-N 0 0 349.387 3.285 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2COC(C)(C)C)n1 ZINC000928388667 1328303381 /nfs/dbraw/zinc/30/33/81/1328303381.db2.gz MTKLIFTZCYQKAT-UHFFFAOYSA-N 0 0 346.387 3.379 10 5 EGBERN CCCCCCN(Cc1ccc(C)o1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000928485575 1328338451 /nfs/dbraw/zinc/33/84/51/1328338451.db2.gz HRIOXUMLVBSMGS-UHFFFAOYSA-N 0 0 348.403 3.452 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862121291 1329460067 /nfs/dbraw/zinc/46/00/67/1329460067.db2.gz GPFDMDQPWOZYFT-YVEFUNNKSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@]1(C2CC2)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862164450 1329463605 /nfs/dbraw/zinc/46/36/05/1329463605.db2.gz GRBXUVHXBUXEFK-LJQANCHMSA-N 0 0 340.379 3.389 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862374578 1329479746 /nfs/dbraw/zinc/47/97/46/1329479746.db2.gz OIPYPJQDEAAUKQ-MXWKQRLJSA-N 0 0 340.782 3.482 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862726200 1329505383 /nfs/dbraw/zinc/50/53/83/1329505383.db2.gz IVRCKSKMIOXXMY-ZJUUUORDSA-N 0 0 326.805 3.358 10 5 EGBERN CC1(C)C[C@H](SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC000863354711 1329549570 /nfs/dbraw/zinc/54/95/70/1329549570.db2.gz FWTLQYXURKOGCO-JTQLQIEISA-N 0 0 344.820 3.487 10 5 EGBERN C/C=C/C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339915 1329548268 /nfs/dbraw/zinc/54/82/68/1329548268.db2.gz GSSSACRRRIFNOV-FAAWYNLUSA-N 0 0 341.415 3.489 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccns1 ZINC000863603407 1329566012 /nfs/dbraw/zinc/56/60/12/1329566012.db2.gz MFIBHACSRCZQRV-LLVKDONJSA-N 0 0 346.412 3.143 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000863813670 1329583289 /nfs/dbraw/zinc/58/32/89/1329583289.db2.gz KAQGITVRVWLICV-ZRUQZJFASA-N 0 0 331.416 3.479 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[S@@](=O)C2CCC2)o1 ZINC000864477388 1329617014 /nfs/dbraw/zinc/61/70/14/1329617014.db2.gz GQGJRJQVGLNJAJ-JOCHJYFZSA-N 0 0 341.776 3.099 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865125226 1329671068 /nfs/dbraw/zinc/67/10/68/1329671068.db2.gz IUOSRDOCFNQKJB-SNVBAGLBSA-N 0 0 332.335 3.083 10 5 EGBERN C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865181268 1329675453 /nfs/dbraw/zinc/67/54/53/1329675453.db2.gz UDYCMZXPLBIGES-CABZTGNLSA-N 0 0 341.205 3.205 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)NC2([C@H]3CCCCO3)CCC2)cc1 ZINC000865274216 1329682216 /nfs/dbraw/zinc/68/22/16/1329682216.db2.gz KBQBOYONZORTQK-CQSZACIVSA-N 0 0 335.429 3.373 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CC4(CO3)CCOCC4)c2)c1 ZINC000865362624 1329688896 /nfs/dbraw/zinc/68/88/96/1329688896.db2.gz BPPWLQYHKNDYPW-QGZVFWFLSA-N 0 0 343.383 3.044 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1c(F)cccc1[N+](=O)[O-] ZINC000865363911 1329688915 /nfs/dbraw/zinc/68/89/15/1329688915.db2.gz YAHVZUUIOZXPDU-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc2c(c1)OCO2 ZINC000865425956 1329695723 /nfs/dbraw/zinc/69/57/23/1329695723.db2.gz WKQIZWGGMQJZCA-VIFPVBQESA-N 0 0 334.303 3.128 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000866040346 1330058446 /nfs/dbraw/zinc/05/84/46/1330058446.db2.gz RKFGAFFZSVGTFD-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000866051808 1330059758 /nfs/dbraw/zinc/05/97/58/1330059758.db2.gz IHUFHCBYRRWTRG-IRXDYDNUSA-N 0 0 338.367 3.174 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000866069501 1330061854 /nfs/dbraw/zinc/06/18/54/1330061854.db2.gz FEIUSNJPTMYKRI-WCBMZHEXSA-N 0 0 344.209 3.064 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CCC3)[C@@H]3CCOC3)c21 ZINC000866141694 1330069850 /nfs/dbraw/zinc/06/98/50/1330069850.db2.gz MHSMRGBIBHBRNQ-WBMJQRKESA-N 0 0 328.372 3.155 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000866159678 1330072259 /nfs/dbraw/zinc/07/22/59/1330072259.db2.gz MMICEAPUDNGSAX-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1([C@@H]2CCCCO2)CCC1 ZINC000866175135 1330073448 /nfs/dbraw/zinc/07/34/48/1330073448.db2.gz ORIOCTIYUUKWSE-AWEZNQCLSA-N 0 0 337.351 3.347 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2c3ccccc3CN2C)ccc1[N+](=O)[O-] ZINC000866194090 1330076357 /nfs/dbraw/zinc/07/63/57/1330076357.db2.gz GUHFERNFZZIELO-GOSISDBHSA-N 0 0 325.368 3.396 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CSC[C@H]3C2)c(C(F)(F)F)c1 ZINC000866199689 1330077568 /nfs/dbraw/zinc/07/75/68/1330077568.db2.gz CQGGLPUPJDLHLR-DTWKUNHWSA-N 0 0 333.335 3.198 10 5 EGBERN COc1ccc([C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233254 1330081785 /nfs/dbraw/zinc/08/17/85/1330081785.db2.gz DYGMSQYVBZGKNC-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN COc1ccc([C@H]2CN(c3c(OC)cccc3[N+](=O)[O-])CCO2)cc1 ZINC000866233741 1330081871 /nfs/dbraw/zinc/08/18/71/1330081871.db2.gz IBLCCGLUADGIDO-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000866272342 1330088693 /nfs/dbraw/zinc/08/86/93/1330088693.db2.gz NKGMGMSGPJMSCH-CMPLNLGQSA-N 0 0 331.294 3.236 10 5 EGBERN Cc1ccc(CN[C@H](c2nc[nH]n2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000866540575 1330124215 /nfs/dbraw/zinc/12/42/15/1330124215.db2.gz QRFUWCSPGUJPNJ-INIZCTEOSA-N 0 0 329.404 3.433 10 5 EGBERN Cc1ccc(CNC(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000868601531 1330298571 /nfs/dbraw/zinc/29/85/71/1330298571.db2.gz PNPVVCUHNXEFRF-UHFFFAOYSA-N 0 0 331.294 3.045 10 5 EGBERN Cc1ccc(CNC(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000869053758 1330403936 /nfs/dbraw/zinc/40/39/36/1330403936.db2.gz SQZCDMDMWTUXSN-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000869384286 1330478816 /nfs/dbraw/zinc/47/88/16/1330478816.db2.gz XFUNEEWXOKGCBO-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN CCCCC(=O)COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000869469799 1330506123 /nfs/dbraw/zinc/50/61/23/1330506123.db2.gz ONAYFACSPZIQEE-UHFFFAOYSA-N 0 0 331.271 3.112 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCSC1 ZINC000869597833 1330530237 /nfs/dbraw/zinc/53/02/37/1330530237.db2.gz AENXMZURFMQXGE-VIFPVBQESA-N 0 0 346.811 3.189 10 5 EGBERN C[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC000869640741 1330539126 /nfs/dbraw/zinc/53/91/26/1330539126.db2.gz YQHKLOHAHYQQCO-ZETCQYMHSA-N 0 0 349.290 3.176 10 5 EGBERN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@]12CCC[C@H]1OCC2 ZINC000869716939 1330552229 /nfs/dbraw/zinc/55/22/29/1330552229.db2.gz GYEKXAOAMGEGRZ-HIFRSBDPSA-N 0 0 325.748 3.251 10 5 EGBERN CC(C)(C)c1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC001183837585 1387357520 /nfs/dbraw/zinc/35/75/20/1387357520.db2.gz YDLGUIYFNXMNRC-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1ccc(N2CCCCC2)cc1 ZINC001324035367 1387514933 /nfs/dbraw/zinc/51/49/33/1387514933.db2.gz OVTVBMWUVFWXTI-UHFFFAOYSA-N 0 0 326.400 3.057 10 5 EGBERN COc1cc(CNc2nccc3c2cccc3[N+](=O)[O-])ccc1O ZINC001184803475 1387543266 /nfs/dbraw/zinc/54/32/66/1387543266.db2.gz SBTRTFWZMFMLRL-UHFFFAOYSA-N 0 0 325.324 3.469 10 5 EGBERN COc1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cc1Br ZINC001185330441 1387685127 /nfs/dbraw/zinc/68/51/27/1387685127.db2.gz BMQQPTFSZMIDLA-UHFFFAOYSA-N 0 0 340.133 3.210 10 5 EGBERN Cc1ccc(C)c(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001189711538 1367092973 /nfs/dbraw/zinc/09/29/73/1367092973.db2.gz ZUJURNCCRYKCBR-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN COc1ccc([C@@H](C)Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001190220537 1367202855 /nfs/dbraw/zinc/20/28/55/1367202855.db2.gz XIXCPWBZIDNJJE-LBPRGKRZSA-N 0 0 339.355 3.061 10 5 EGBERN COC(=O)c1ccoc1COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001190242368 1367207334 /nfs/dbraw/zinc/20/73/34/1367207334.db2.gz GPQXNXJIVKEOCR-UHFFFAOYSA-N 0 0 329.667 3.346 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H](CO)CC1CCCC1 ZINC001186285002 1387915671 /nfs/dbraw/zinc/91/56/71/1387915671.db2.gz LKQMUIAVRKGJLV-ZDUSSCGKSA-N 0 0 347.390 3.305 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CCCc3n[nH]cc32)c1 ZINC001194792978 1368325009 /nfs/dbraw/zinc/32/50/09/1368325009.db2.gz ZBIOYZWNMOMPCV-UHFFFAOYSA-N 0 0 337.177 3.033 10 5 EGBERN CC1=NO[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001186500913 1387956407 /nfs/dbraw/zinc/95/64/07/1387956407.db2.gz YRGHSQXERHHNDH-HNNXBMFYSA-N 0 0 339.351 3.403 10 5 EGBERN CO[C@H]1COCC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186550560 1387969936 /nfs/dbraw/zinc/96/99/36/1387969936.db2.gz QXBVEYNRIGXJID-KWQFWETISA-N 0 0 335.187 3.365 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CC3(CC3)Oc3ccccc32)cc1 ZINC001198498055 1369045607 /nfs/dbraw/zinc/04/56/07/1369045607.db2.gz CMEIGMLDURZNLP-UHFFFAOYSA-N 0 0 326.352 3.405 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1nccn1-c1ccccc1 ZINC001186613582 1387986470 /nfs/dbraw/zinc/98/64/70/1387986470.db2.gz YROOMZNBOXTSFV-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COC(=O)c1nc(CNc2cc(C)sc2[N+](=O)[O-])ccc1Cl ZINC001186980877 1388035173 /nfs/dbraw/zinc/03/51/73/1388035173.db2.gz OGFANNXOAZCYNS-UHFFFAOYSA-N 0 0 341.776 3.412 10 5 EGBERN Cn1cc(CSc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)cn1 ZINC001186953317 1388032976 /nfs/dbraw/zinc/03/29/76/1388032976.db2.gz XGJJRPPWHZPYAU-UHFFFAOYSA-N 0 0 335.776 3.217 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCC(C)(C)CO1 ZINC001187462544 1388113203 /nfs/dbraw/zinc/11/32/03/1388113203.db2.gz ASUPKSMECATZDE-LBPRGKRZSA-N 0 0 336.388 3.307 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCc2ccnc(-c3ccccn3)n2)c(F)c1 ZINC001187462694 1388113397 /nfs/dbraw/zinc/11/33/97/1388113397.db2.gz HBBQUNAWZUUFTN-UHFFFAOYSA-N 0 0 343.293 3.337 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC001118388186 1371171475 /nfs/dbraw/zinc/17/14/75/1371171475.db2.gz ZSKLBQCQJHNBGT-GFCCVEGCSA-N 0 0 348.380 3.443 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001118479448 1371187339 /nfs/dbraw/zinc/18/73/39/1371187339.db2.gz MFLHVQZEJHAVBZ-SWLSCSKDSA-N 0 0 346.339 3.108 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(F)c([N+](=O)[O-])cc1F ZINC001118785513 1371227609 /nfs/dbraw/zinc/22/76/09/1371227609.db2.gz KPKCVFSQLPBXCA-VDAHYXPESA-N 0 0 332.253 3.037 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(Cn2ccc(C(F)F)n2)n1 ZINC001118811162 1371234618 /nfs/dbraw/zinc/23/46/18/1371234618.db2.gz QJJICRWTMJEJDO-UHFFFAOYSA-N 0 0 349.297 3.444 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001118902880 1371247563 /nfs/dbraw/zinc/24/75/63/1371247563.db2.gz OXIRPKJYJUISGY-UHFFFAOYSA-N 0 0 349.236 3.192 10 5 EGBERN CN(C[C@@H](O)c1cccnc1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001187549713 1388125056 /nfs/dbraw/zinc/12/50/56/1388125056.db2.gz CKXDIQRIIDPRAB-GFCCVEGCSA-N 0 0 342.182 3.466 10 5 EGBERN CCOC(=O)[C@@]1(F)CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC001187575689 1388127219 /nfs/dbraw/zinc/12/72/19/1388127219.db2.gz LROPRFXQJLFPFH-ZUZCIYMTSA-N 0 0 344.770 3.366 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H](O)Cc2ccccc2F)ccc2ncccc21 ZINC001187624612 1388133158 /nfs/dbraw/zinc/13/31/58/1388133158.db2.gz FBIRQVKGKLAWFT-CYBMUJFWSA-N 0 0 341.342 3.298 10 5 EGBERN C[C@@H]1C[C@H](C)CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001187646775 1388136446 /nfs/dbraw/zinc/13/64/46/1388136446.db2.gz ARUSKXXNQOMTAE-CHWSQXEVSA-N 0 0 329.400 3.319 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCOc4cc(F)ccc43)c21 ZINC001187694350 1388145079 /nfs/dbraw/zinc/14/50/79/1388145079.db2.gz MMEVCRICNDOCEH-UHFFFAOYSA-N 0 0 326.287 3.208 10 5 EGBERN COC1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCCCCC1 ZINC001187840880 1388175342 /nfs/dbraw/zinc/17/53/42/1388175342.db2.gz GLKZFHHRTPNELU-UHFFFAOYSA-N 0 0 326.368 3.378 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]23CCC[C@@H]2OCC3)c1 ZINC001123231619 1372402701 /nfs/dbraw/zinc/40/27/01/1372402701.db2.gz PICSXSFXYGKOPH-HOCLYGCPSA-N 0 0 337.397 3.433 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1csc(-c2ccccc2OC)n1 ZINC001123258057 1372408828 /nfs/dbraw/zinc/40/88/28/1372408828.db2.gz WQDQGPHWXLYMKR-SNVBAGLBSA-N 0 0 336.369 3.031 10 5 EGBERN CC(C)(C(=O)OC[C@]12CCC[C@@H]1OCC2)c1ccccc1[N+](=O)[O-] ZINC001123329441 1372428230 /nfs/dbraw/zinc/42/82/30/1372428230.db2.gz FIOILTSLKBHPQY-MAUKXSAKSA-N 0 0 333.384 3.375 10 5 EGBERN C[C@@H](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC001123347749 1372437258 /nfs/dbraw/zinc/43/72/58/1372437258.db2.gz VARFXJJXDCNOLO-ZDUSSCGKSA-N 0 0 346.383 3.155 10 5 EGBERN COc1c(F)nccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001124332954 1372692886 /nfs/dbraw/zinc/69/28/86/1372692886.db2.gz VQXAGPQGTVYXPV-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN COc1cccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001124394025 1372698231 /nfs/dbraw/zinc/69/82/31/1372698231.db2.gz PNDPWAFNQAAWQE-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN O=C(NCCc1nc2ccccc2s1)c1c(F)cccc1[N+](=O)[O-] ZINC001124497148 1372706931 /nfs/dbraw/zinc/70/69/31/1372706931.db2.gz YTHDNTGZIAOYBL-UHFFFAOYSA-N 0 0 345.355 3.316 10 5 EGBERN Cn1c2ccccc2sc1=NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001124724463 1372725931 /nfs/dbraw/zinc/72/59/31/1372725931.db2.gz AVOLFXYKHLQALZ-UHFFFAOYSA-N 0 0 349.318 3.167 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC001124810399 1372732272 /nfs/dbraw/zinc/73/22/72/1372732272.db2.gz YRDILJNRVOBJSJ-TWGQIWQCSA-N 0 0 344.323 3.243 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCOc1c(C)cccc1C ZINC001125038804 1372748900 /nfs/dbraw/zinc/74/89/00/1372748900.db2.gz SIPXGXSRHSKMSX-UHFFFAOYSA-N 0 0 346.358 3.468 10 5 EGBERN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001125300854 1372768041 /nfs/dbraw/zinc/76/80/41/1372768041.db2.gz FXGQILWAORPLRK-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1ccc(OC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1F ZINC001125557343 1372806679 /nfs/dbraw/zinc/80/66/79/1372806679.db2.gz LGTGWXUYVINOIR-UHFFFAOYSA-N 0 0 339.250 3.109 10 5 EGBERN C/C(=C\c1cccnc1)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125791894 1372857592 /nfs/dbraw/zinc/85/75/92/1372857592.db2.gz VMBZBRUZYJZLOD-ACCUITESSA-N 0 0 349.350 3.218 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1cccc(F)c1F ZINC001126126352 1372940001 /nfs/dbraw/zinc/94/00/01/1372940001.db2.gz LWBOFXVUZPACCI-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001126278376 1372953949 /nfs/dbraw/zinc/95/39/49/1372953949.db2.gz ZHGMNRMOVKXDKP-IGCXYCKISA-N 0 0 345.399 3.173 10 5 EGBERN CO[C@]1(C)C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001126448041 1372966439 /nfs/dbraw/zinc/96/64/39/1372966439.db2.gz CBJAJAANVVRTHT-MAUKXSAKSA-N 0 0 349.431 3.059 10 5 EGBERN Cc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001126523506 1372972299 /nfs/dbraw/zinc/97/22/99/1372972299.db2.gz NUILAROEXCBGGE-UHFFFAOYSA-N 0 0 349.337 3.177 10 5 EGBERN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001126542659 1372973304 /nfs/dbraw/zinc/97/33/04/1372973304.db2.gz DRUWCFREOMCKPW-JTQLQIEISA-N 0 0 336.294 3.070 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1noc(C)n1 ZINC001126888551 1373047476 /nfs/dbraw/zinc/04/74/76/1373047476.db2.gz HVBWWKLGXKWSNP-GFCCVEGCSA-N 0 0 332.360 3.093 10 5 EGBERN COc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126922653 1373052067 /nfs/dbraw/zinc/05/20/67/1373052067.db2.gz CRIJJBUPECWNPQ-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ncccc1-c1ccccn1 ZINC001127272448 1373111162 /nfs/dbraw/zinc/11/11/62/1373111162.db2.gz PVUKVBLEINSADB-UHFFFAOYSA-N 0 0 339.282 3.410 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)c1c(Cl)cccc1Cl ZINC001127315149 1373114452 /nfs/dbraw/zinc/11/44/52/1373114452.db2.gz UGQIQADTIPEOIT-UHFFFAOYSA-N 0 0 343.170 3.070 10 5 EGBERN CC[C@H](NC(=O)Cc1nc(C)c(C)s1)c1cccc([N+](=O)[O-])c1 ZINC001127679411 1373159191 /nfs/dbraw/zinc/15/91/91/1373159191.db2.gz GSVRRJYLNNJNQP-AWEZNQCLSA-N 0 0 333.413 3.478 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1OCCc2ccccc21 ZINC001127962464 1373204328 /nfs/dbraw/zinc/20/43/28/1373204328.db2.gz GKTYPQBHDUKEOS-SFHVURJKSA-N 0 0 349.346 3.396 10 5 EGBERN Cc1cc(NC(=O)c2nccc3occc32)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967680 1373205322 /nfs/dbraw/zinc/20/53/22/1373205322.db2.gz OHJDZNJRVHTJFS-UHFFFAOYSA-N 0 0 348.318 3.267 10 5 EGBERN COc1ccc(OC(=O)[C@@H](C)OCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001128089568 1373217149 /nfs/dbraw/zinc/21/71/49/1373217149.db2.gz KHQQHAJCJAUHEK-CYBMUJFWSA-N 0 0 345.351 3.423 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H]1CC[C@@H](C)C1 ZINC001128549586 1373289100 /nfs/dbraw/zinc/28/91/00/1373289100.db2.gz HJJOIVLVTQDIRQ-DGCLKSJQSA-N 0 0 338.379 3.320 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001128622881 1373298522 /nfs/dbraw/zinc/29/85/22/1373298522.db2.gz ONUDZKFOULLXBG-LSDHHAIUSA-N 0 0 332.306 3.088 10 5 EGBERN Cc1c(C(=O)Nc2ccc3c(n2)CCCC3=O)cccc1[N+](=O)[O-] ZINC001128920620 1373324327 /nfs/dbraw/zinc/32/43/27/1373324327.db2.gz AGKPTCGBPOWQGO-UHFFFAOYSA-N 0 0 325.324 3.070 10 5 EGBERN Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn2ccnc12 ZINC001129404734 1373380962 /nfs/dbraw/zinc/38/09/62/1373380962.db2.gz NCQCTGFECWBWNB-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN Cc1cccc2c1OC[C@H](NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC001129554099 1373396617 /nfs/dbraw/zinc/39/66/17/1373396617.db2.gz LPMNGZASKIMNEF-OAHLLOKOSA-N 0 0 340.379 3.254 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001129691851 1373412350 /nfs/dbraw/zinc/41/23/50/1373412350.db2.gz MEZNSFGIKOXRDV-LBPRGKRZSA-N 0 0 342.351 3.053 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001129691850 1373412411 /nfs/dbraw/zinc/41/24/11/1373412411.db2.gz MEZNSFGIKOXRDV-GFCCVEGCSA-N 0 0 342.351 3.053 10 5 EGBERN Cc1ccc(Br)c(OC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001129785603 1373423730 /nfs/dbraw/zinc/42/37/30/1373423730.db2.gz XZTJTSFWFYEGGH-UHFFFAOYSA-N 0 0 337.129 3.280 10 5 EGBERN CN1Cc2c(cccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC001129801909 1373424782 /nfs/dbraw/zinc/42/47/82/1373424782.db2.gz SZXVZMFEKFPULP-UHFFFAOYSA-N 0 0 345.742 3.086 10 5 EGBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)cnn1-c1cccc(C)c1 ZINC001130025383 1373446115 /nfs/dbraw/zinc/44/61/15/1373446115.db2.gz OBLKDFOZVZWOJW-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001130031567 1373446882 /nfs/dbraw/zinc/44/68/82/1373446882.db2.gz AMOANGWFSJUBCB-UHFFFAOYSA-N 0 0 349.274 3.293 10 5 EGBERN COc1cc(OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccc1F ZINC001130691850 1373580883 /nfs/dbraw/zinc/58/08/83/1373580883.db2.gz JHEBJNHAUFDSBZ-UHFFFAOYSA-N 0 0 337.278 3.420 10 5 EGBERN O=C(Oc1cccc(OC2CC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130836114 1373597946 /nfs/dbraw/zinc/59/79/46/1373597946.db2.gz CRTZWHNKYAUDSP-UHFFFAOYSA-N 0 0 344.279 3.263 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cc2cccn2cn1 ZINC001130957526 1373615871 /nfs/dbraw/zinc/61/58/71/1373615871.db2.gz WKDSPXRCWYNGJH-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cnc(-c2ccccc2)nc1 ZINC001131036356 1373629263 /nfs/dbraw/zinc/62/92/63/1373629263.db2.gz UCJVUFXFYUGPLV-UHFFFAOYSA-N 0 0 349.346 3.338 10 5 EGBERN O=C(/C=C\c1ccc(Cl)nc1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131051916 1373633206 /nfs/dbraw/zinc/63/32/06/1373633206.db2.gz QLERXZJBFBKOMY-RQOWECAXSA-N 0 0 349.686 3.170 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCS[C@@H]1C(F)(F)F ZINC001131149920 1373652676 /nfs/dbraw/zinc/65/26/76/1373652676.db2.gz OXFYUICZXYIXLM-SNVBAGLBSA-N 0 0 340.710 3.326 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC001131266195 1373672285 /nfs/dbraw/zinc/67/22/85/1373672285.db2.gz XTYCTVQNHSXRQD-CQSZACIVSA-N 0 0 349.293 3.337 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001131292804 1373676068 /nfs/dbraw/zinc/67/60/68/1373676068.db2.gz IKDFMBABOAGTJC-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC001131338774 1373681873 /nfs/dbraw/zinc/68/18/73/1373681873.db2.gz NWUOUFKWVWDYAI-UHFFFAOYSA-N 0 0 329.381 3.121 10 5 EGBERN Cc1c(Br)cc(C(=O)NCC2CC(C)C2)cc1[N+](=O)[O-] ZINC001131583635 1373725886 /nfs/dbraw/zinc/72/58/86/1373725886.db2.gz PEHMTMPMPPCBAA-UHFFFAOYSA-N 0 0 341.205 3.442 10 5 EGBERN CCOc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])nc1C ZINC001131595828 1373727725 /nfs/dbraw/zinc/72/77/25/1373727725.db2.gz IZOZOSHSDDZSAH-UHFFFAOYSA-N 0 0 347.346 3.407 10 5 EGBERN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001131625836 1373736451 /nfs/dbraw/zinc/73/64/51/1373736451.db2.gz CKTXQELBBQEALO-UHFFFAOYSA-N 0 0 346.339 3.073 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001131744997 1373782270 /nfs/dbraw/zinc/78/22/70/1373782270.db2.gz YIZWUGZIUDXYOA-NNUKFRKNSA-N 0 0 342.351 3.294 10 5 EGBERN COc1cc(C(=O)OCc2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001131789224 1373808601 /nfs/dbraw/zinc/80/86/01/1373808601.db2.gz INMJDPLXUAXMET-NSHDSACASA-N 0 0 343.335 3.284 10 5 EGBERN O=c1c2ccc(Cl)cc2ncn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001188486871 1388317297 /nfs/dbraw/zinc/31/72/97/1388317297.db2.gz CNEHSQJJUBCDDF-UHFFFAOYSA-N 0 0 333.706 3.146 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2occc2c1 ZINC001132489582 1375421529 /nfs/dbraw/zinc/42/15/29/1375421529.db2.gz FTXAPGBYNTXFAA-UHFFFAOYSA-N 0 0 330.271 3.498 10 5 EGBERN C[C@H]1Cc2cccc(F)c2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001132534347 1375445956 /nfs/dbraw/zinc/44/59/56/1375445956.db2.gz DTQYDFOSTAHQDL-LBPRGKRZSA-N 0 0 344.342 3.338 10 5 EGBERN CCSc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC001132637899 1375492928 /nfs/dbraw/zinc/49/29/28/1375492928.db2.gz ZOCMAQAXLFODOF-UHFFFAOYSA-N 0 0 331.397 3.340 10 5 EGBERN Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC001132637320 1375493086 /nfs/dbraw/zinc/49/30/86/1375493086.db2.gz MSUYSWQIVDPYQQ-MRXNPFEDSA-N 0 0 340.379 3.312 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc3c2OCCCO3)c1F ZINC001132679876 1375511081 /nfs/dbraw/zinc/51/10/81/1375511081.db2.gz USYFVTBGUQVXQP-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1oc(C(F)F)cc1C ZINC001132750620 1375546030 /nfs/dbraw/zinc/54/60/30/1375546030.db2.gz XMAWVZRRGQJUFN-UHFFFAOYSA-N 0 0 327.243 3.090 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001132759254 1375550016 /nfs/dbraw/zinc/55/00/16/1375550016.db2.gz YCURRPQZLBQZMF-SNVBAGLBSA-N 0 0 333.296 3.201 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2[nH]ccc21 ZINC001132926284 1375648320 /nfs/dbraw/zinc/64/83/20/1375648320.db2.gz RTIZZNUHXNKODW-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN CCc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001133111328 1375782243 /nfs/dbraw/zinc/78/22/43/1375782243.db2.gz SZRQYUFJTCXRFV-VIFPVBQESA-N 0 0 334.763 3.092 10 5 EGBERN C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133420717 1375998394 /nfs/dbraw/zinc/99/83/94/1375998394.db2.gz MPMAOQBJXKOUII-GFCCVEGCSA-N 0 0 332.331 3.380 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001133706875 1376167702 /nfs/dbraw/zinc/16/77/02/1376167702.db2.gz WCRGQIWQFXXSDI-DZGCQCFKSA-N 0 0 348.305 3.244 10 5 EGBERN CS(C)(=O)=NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001133768168 1376198098 /nfs/dbraw/zinc/19/80/98/1376198098.db2.gz JLXLRSCKPMUORM-UHFFFAOYSA-N 0 0 334.353 3.255 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001133923570 1376267873 /nfs/dbraw/zinc/26/78/73/1376267873.db2.gz QIWZAPJAHQYLQR-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN CCNc1ccc(C(=O)Nc2nn(CC)cc2Cl)cc1[N+](=O)[O-] ZINC001133951879 1376282481 /nfs/dbraw/zinc/28/24/81/1376282481.db2.gz NOBJKGJGWCSZEC-UHFFFAOYSA-N 0 0 337.767 3.149 10 5 EGBERN C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001134315127 1376469953 /nfs/dbraw/zinc/46/99/53/1376469953.db2.gz BZEXPSUXJBFVQT-AGLBBYSZSA-N 0 0 345.355 3.011 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001134598822 1376620097 /nfs/dbraw/zinc/62/00/97/1376620097.db2.gz JERMWIBFZGMLIF-AWEZNQCLSA-N 0 0 347.415 3.248 10 5 EGBERN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001134926340 1376793250 /nfs/dbraw/zinc/79/32/50/1376793250.db2.gz CEWMQICHYNTVHR-OQMKEHIESA-N 0 0 348.399 3.033 10 5 EGBERN COc1cccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC001134962733 1376812623 /nfs/dbraw/zinc/81/26/23/1376812623.db2.gz DPCWZBAULKEHRR-UHFFFAOYSA-N 0 0 331.284 3.072 10 5 EGBERN CC(=O)Nc1cc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)ccc1F ZINC001134962805 1376812787 /nfs/dbraw/zinc/81/27/87/1376812787.db2.gz HWDSOELUTPZIJY-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NCCCc2ccsc2)cc1[N+](=O)[O-] ZINC001135058968 1376872444 /nfs/dbraw/zinc/87/24/44/1376872444.db2.gz AZEXVUHPDPHMKD-UHFFFAOYSA-N 0 0 349.368 3.236 10 5 EGBERN CC(C)(CCC(=O)Nc1ccccc1-c1noc(C2CC2)n1)[N+](=O)[O-] ZINC001135228164 1376988782 /nfs/dbraw/zinc/98/87/82/1376988782.db2.gz CCYLVHBLMKTBRM-UHFFFAOYSA-N 0 0 344.371 3.388 10 5 EGBERN CNc1cc(Cl)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001135881497 1377248006 /nfs/dbraw/zinc/24/80/06/1377248006.db2.gz SHGVUKGGAQMCRI-UHFFFAOYSA-N 0 0 348.790 3.132 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ncccc1NCC1CCC1 ZINC001136811374 1377425502 /nfs/dbraw/zinc/42/55/02/1377425502.db2.gz FDXKAOMIJIZJSK-UHFFFAOYSA-N 0 0 340.383 3.132 10 5 EGBERN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)Oc1ccccc1 ZINC001136815051 1377425600 /nfs/dbraw/zinc/42/56/00/1377425600.db2.gz ZLANIPQVBIQHAB-LLVKDONJSA-N 0 0 334.759 3.446 10 5 EGBERN O=C(c1ccc(O)cc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840436 1377428913 /nfs/dbraw/zinc/42/89/13/1377428913.db2.gz QBMDZGXRWGMLHQ-MRXNPFEDSA-N 0 0 348.355 3.327 10 5 EGBERN CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136874835 1377433650 /nfs/dbraw/zinc/43/36/50/1377433650.db2.gz ULMTZENAVJWOGM-INIZCTEOSA-N 0 0 347.346 3.226 10 5 EGBERN O=C(Nc1cnn(-c2ccccn2)c1)c1cccc([N+](=O)[O-])c1Cl ZINC001136890558 1377436115 /nfs/dbraw/zinc/43/61/15/1377436115.db2.gz RKFDMHSSHJCEJW-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3c(c2)ncn3C)c1F ZINC001137043154 1377465187 /nfs/dbraw/zinc/46/51/87/1377465187.db2.gz MGENYXBURWQXHC-UHFFFAOYSA-N 0 0 346.293 3.320 10 5 EGBERN CN1CCOc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc21 ZINC001137208824 1377496888 /nfs/dbraw/zinc/49/68/88/1377496888.db2.gz NRNFMIQIGSIPQW-UHFFFAOYSA-N 0 0 347.758 3.329 10 5 EGBERN COc1ncc(C)cc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001137250444 1377504126 /nfs/dbraw/zinc/50/41/26/1377504126.db2.gz UNMPOXVKVJGVKF-UHFFFAOYSA-N 0 0 335.747 3.141 10 5 EGBERN Cc1c(F)ccc(N)c1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001137351398 1377529397 /nfs/dbraw/zinc/52/93/97/1377529397.db2.gz CBNCDVISYHVSAP-UHFFFAOYSA-N 0 0 343.358 3.429 10 5 EGBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc2ccccc2s1 ZINC001137457110 1377550646 /nfs/dbraw/zinc/55/06/46/1377550646.db2.gz FAWALLKHSZRHFC-SECBINFHSA-N 0 0 330.369 3.066 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC001137482097 1377556070 /nfs/dbraw/zinc/55/60/70/1377556070.db2.gz ODSDNDRLYCSUDF-LBPRGKRZSA-N 0 0 346.358 3.451 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1cnccc1C ZINC001137810605 1377619377 /nfs/dbraw/zinc/61/93/77/1377619377.db2.gz RTWCDRKONKDBID-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc3cnccc3s1)CC2 ZINC001137829026 1377623549 /nfs/dbraw/zinc/62/35/49/1377623549.db2.gz WITVOJVKSSEIOH-UHFFFAOYSA-N 0 0 340.364 3.111 10 5 EGBERN CC(=O)OCCc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001137871941 1377634600 /nfs/dbraw/zinc/63/46/00/1377634600.db2.gz WGAOIAIHEGEBMQ-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN O=C(Cc1cncc2ccccc21)NCCc1cccc([N+](=O)[O-])c1 ZINC001137983431 1377657897 /nfs/dbraw/zinc/65/78/97/1377657897.db2.gz VESORNKEPYIJLQ-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN CSc1cccc(C(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)c1[N+](=O)[O-] ZINC001141302039 1378297140 /nfs/dbraw/zinc/29/71/40/1378297140.db2.gz MGEWACHTCIWOMW-UHFFFAOYSA-N 0 0 344.352 3.151 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCSc1ccccc1 ZINC001141434312 1378325234 /nfs/dbraw/zinc/32/52/34/1378325234.db2.gz WMWLAPKCYBFDOP-UHFFFAOYSA-N 0 0 331.397 3.089 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCCc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC001141585644 1378347153 /nfs/dbraw/zinc/34/71/53/1378347153.db2.gz ZHRSQNVBONLJLZ-CQSZACIVSA-N 0 0 329.331 3.124 10 5 EGBERN COc1ccccc1NCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001141707819 1378364369 /nfs/dbraw/zinc/36/43/69/1378364369.db2.gz KUEMCBJZNNEMPF-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](CC)O1 ZINC001142608293 1378464045 /nfs/dbraw/zinc/46/40/45/1378464045.db2.gz KIILFLMCWONUEZ-IAGOWNOFSA-N 0 0 346.427 3.433 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001327549886 1388558037 /nfs/dbraw/zinc/55/80/37/1388558037.db2.gz HRZFDXGOMAIZQA-SWLSCSKDSA-N 0 0 337.372 3.240 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001143376643 1378588748 /nfs/dbraw/zinc/58/87/48/1378588748.db2.gz IWWIJBJHLVLLOK-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1n[nH]c(C2CC2)c1C ZINC001143793158 1378647415 /nfs/dbraw/zinc/64/74/15/1378647415.db2.gz RGKHTXSVPYWPOS-UHFFFAOYSA-N 0 0 330.344 3.155 10 5 EGBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327576735 1388562273 /nfs/dbraw/zinc/56/22/73/1388562273.db2.gz GXTQUQSOGDVUPJ-JFUSQASVSA-N 0 0 329.274 3.459 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327579005 1388562510 /nfs/dbraw/zinc/56/25/10/1388562510.db2.gz ZRORKTWCZUUZLY-DVVUODLYSA-N 0 0 329.274 3.459 10 5 EGBERN Cc1ccc(N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1Cl ZINC001144966920 1378785355 /nfs/dbraw/zinc/78/53/55/1378785355.db2.gz NQAVENULVSQZTK-UHFFFAOYSA-N 0 0 329.143 3.210 10 5 EGBERN Cc1ccccc1[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(C)C ZINC001145051573 1378789651 /nfs/dbraw/zinc/78/96/51/1378789651.db2.gz ANKMBQMSZVDENR-OAHLLOKOSA-N 0 0 328.372 3.008 10 5 EGBERN O=C(NC1CC1)c1ccc(NC2CC3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001327693257 1388584258 /nfs/dbraw/zinc/58/42/58/1388584258.db2.gz UGQNUFQTZFBLNV-UHFFFAOYSA-N 0 0 337.326 3.087 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001148387640 1379162659 /nfs/dbraw/zinc/16/26/59/1379162659.db2.gz GHEUWRJWVNXNAT-NWDGAFQWSA-N 0 0 346.412 3.298 10 5 EGBERN Cc1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(NC2CC2)n1 ZINC001148566977 1379212886 /nfs/dbraw/zinc/21/28/86/1379212886.db2.gz UEVPOJZZNSUYJF-UHFFFAOYSA-N 0 0 338.367 3.029 10 5 EGBERN Cc1cn2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2n1 ZINC001148714582 1379250644 /nfs/dbraw/zinc/25/06/44/1379250644.db2.gz UXIKOVJGCHLAOM-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001149363954 1379368972 /nfs/dbraw/zinc/36/89/72/1379368972.db2.gz MUXBAXZTFYJFCB-MRXNPFEDSA-N 0 0 340.379 3.369 10 5 EGBERN Cc1ccc(O)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001151618456 1379747938 /nfs/dbraw/zinc/74/79/38/1379747938.db2.gz WGLAXVDIGOTELM-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN Cc1c(CC(=O)NC2(CO)CCCCCCC2)cccc1[N+](=O)[O-] ZINC001152184615 1379879169 /nfs/dbraw/zinc/87/91/69/1379879169.db2.gz BGYKAHYSIWDTIW-UHFFFAOYSA-N 0 0 334.416 3.037 10 5 EGBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCC1 ZINC001284530373 1379935377 /nfs/dbraw/zinc/93/53/77/1379935377.db2.gz MRVTUMGOVQABMA-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001152894781 1379991850 /nfs/dbraw/zinc/99/18/50/1379991850.db2.gz RILVPDMKFZCMOR-LLVKDONJSA-N 0 0 340.339 3.025 10 5 EGBERN CC1(C)CC[C@@H](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)OC1 ZINC001153495344 1380084345 /nfs/dbraw/zinc/08/43/45/1380084345.db2.gz RKSGZUNVVQHYLI-NSHDSACASA-N 0 0 332.360 3.005 10 5 EGBERN C=C/C=C\CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001153742576 1380121470 /nfs/dbraw/zinc/12/14/70/1380121470.db2.gz HNNKWGXCQHDTOX-ARJAWSKDSA-N 0 0 339.189 3.148 10 5 EGBERN CC[C@H](C)[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154844826 1380363768 /nfs/dbraw/zinc/36/37/68/1380363768.db2.gz BFVMCEBEBNRJPH-RYUDHWBXSA-N 0 0 332.404 3.202 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc(F)ccc1OC ZINC001155938132 1380506420 /nfs/dbraw/zinc/50/64/20/1380506420.db2.gz KCMNUOJBLVFDOX-OAHLLOKOSA-N 0 0 347.346 3.206 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nccc2ccccc21 ZINC001157881407 1381058028 /nfs/dbraw/zinc/05/80/28/1381058028.db2.gz LRPOAPOYHRMIBJ-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN CCNc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC001157983065 1381093319 /nfs/dbraw/zinc/09/33/19/1381093319.db2.gz APESQNGDJPORJM-UHFFFAOYSA-N 0 0 340.383 3.482 10 5 EGBERN Cc1ccc(NC(=O)CNc2cccc(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001158223029 1381164399 /nfs/dbraw/zinc/16/43/99/1381164399.db2.gz AAHZIXORDRXKCV-UHFFFAOYSA-N 0 0 334.763 3.189 10 5 EGBERN COc1cccc2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)oc21 ZINC001158223105 1381164553 /nfs/dbraw/zinc/16/45/53/1381164553.db2.gz DLWCVLSIMPXXQI-UHFFFAOYSA-N 0 0 341.323 3.493 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(Cl)c1 ZINC001158231911 1381168212 /nfs/dbraw/zinc/16/82/12/1381168212.db2.gz NEGMOGVSULEWDH-UHFFFAOYSA-N 0 0 334.763 3.433 10 5 EGBERN CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C ZINC001287570267 1381267482 /nfs/dbraw/zinc/26/74/82/1381267482.db2.gz QZRAUOPACWLUEP-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN COc1cncc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC001287595687 1381281233 /nfs/dbraw/zinc/28/12/33/1381281233.db2.gz IRXKYRANEXCBRZ-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC001288007998 1381482270 /nfs/dbraw/zinc/48/22/70/1381482270.db2.gz IZKTYBARSKYXLN-UHFFFAOYSA-N 0 0 332.316 3.233 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001158969342 1381490854 /nfs/dbraw/zinc/49/08/54/1381490854.db2.gz INMRFLUIMUBDIS-UHFFFAOYSA-N 0 0 344.362 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc3c[nH]nc32)c1 ZINC001159024417 1381515398 /nfs/dbraw/zinc/51/53/98/1381515398.db2.gz WARNIGWLYLPIIQ-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN CC[C@@H](C)Oc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC001288109210 1381568477 /nfs/dbraw/zinc/56/84/77/1381568477.db2.gz TWKHXNNDGCZVKM-GFCCVEGCSA-N 0 0 345.355 3.185 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC001288336384 1381784302 /nfs/dbraw/zinc/78/43/02/1381784302.db2.gz OPHVHJXPNFOLDB-ZDUSSCGKSA-N 0 0 332.356 3.276 10 5 EGBERN C[C@@H](NC(=O)c1cc(Br)co1)c1ccc([N+](=O)[O-])cc1 ZINC001288750787 1381925487 /nfs/dbraw/zinc/92/54/87/1381925487.db2.gz ZDLPMKLTZALMMN-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN Cc1cc(C(=O)N=[S@]2(=O)CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001289028071 1381974408 /nfs/dbraw/zinc/97/44/08/1381974408.db2.gz FSRNYZZAFMIEDQ-QHCPKHFHSA-N 0 0 330.365 3.127 10 5 EGBERN Cc1cc(C)c2c(c1)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC001160052033 1381981407 /nfs/dbraw/zinc/98/14/07/1381981407.db2.gz XLTFRNQRFJQRIO-UHFFFAOYSA-N 0 0 343.358 3.131 10 5 EGBERN Cc1occc1CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001292393931 1382188805 /nfs/dbraw/zinc/18/88/05/1382188805.db2.gz CVIASEAIABWEIW-UHFFFAOYSA-N 0 0 340.339 3.159 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001294095536 1382416873 /nfs/dbraw/zinc/41/68/73/1382416873.db2.gz VUMVIWYECCPMAW-SCLBCKFNSA-N 0 0 334.416 3.412 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1C ZINC001161809600 1382515289 /nfs/dbraw/zinc/51/52/89/1382515289.db2.gz DVQBHPASRVRDOM-UHFFFAOYSA-N 0 0 331.347 3.205 10 5 EGBERN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001161843335 1382526631 /nfs/dbraw/zinc/52/66/31/1382526631.db2.gz FSDIWFGVNZLDNC-KMFMINBZSA-N 0 0 334.416 3.351 10 5 EGBERN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc2c(c1)OCO2 ZINC001295129114 1382547546 /nfs/dbraw/zinc/54/75/46/1382547546.db2.gz NMCOZGWAGRTCPV-UHFFFAOYSA-N 0 0 334.715 3.254 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1cccc(OC)c1 ZINC001161951803 1382567467 /nfs/dbraw/zinc/56/74/67/1382567467.db2.gz IQEAXAMXDPOAPC-UHFFFAOYSA-N 0 0 344.367 3.335 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162327236 1382730855 /nfs/dbraw/zinc/73/08/55/1382730855.db2.gz RGTPLEKABWJSMD-YRGRVCCFSA-N 0 0 334.420 3.209 10 5 EGBERN COC(=O)c1ccnc(N[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC001162584677 1382799523 /nfs/dbraw/zinc/79/95/23/1382799523.db2.gz NEFFHNKNRSLKMB-LLVKDONJSA-N 0 0 331.353 3.035 10 5 EGBERN CC[C@H](NC(=O)c1cc(C=O)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001295821477 1382836389 /nfs/dbraw/zinc/83/63/89/1382836389.db2.gz ZZQPOVZNMWPNGT-INIZCTEOSA-N 0 0 330.315 3.428 10 5 EGBERN COCCCOC1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001162823427 1382886803 /nfs/dbraw/zinc/88/68/03/1382886803.db2.gz KLELYQSDPGCOCH-UHFFFAOYSA-N 0 0 335.187 3.143 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncsc1C1CC1 ZINC001295988219 1382892624 /nfs/dbraw/zinc/89/26/24/1382892624.db2.gz NALRWGCAWMBJCA-UHFFFAOYSA-N 0 0 329.341 3.057 10 5 EGBERN CSCc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001296199962 1382916908 /nfs/dbraw/zinc/91/69/08/1382916908.db2.gz LLQGXFGJVHZAPW-UHFFFAOYSA-N 0 0 326.765 3.087 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](CO)CC1CCCC1 ZINC001163173838 1382984447 /nfs/dbraw/zinc/98/44/47/1382984447.db2.gz XMUQEPNMCLABJM-CQSZACIVSA-N 0 0 329.400 3.166 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ncccc2F)cc1C ZINC001163217054 1382995824 /nfs/dbraw/zinc/99/58/24/1382995824.db2.gz CJANOUQLJZBYPB-UHFFFAOYSA-N 0 0 333.319 3.226 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1c(F)cc(F)c(F)c1F ZINC001163224767 1382998115 /nfs/dbraw/zinc/99/81/15/1382998115.db2.gz LIUXLFKHVBAJRW-UHFFFAOYSA-N 0 0 335.644 3.234 10 5 EGBERN Cc1cc(N2CCCCCC2)ccc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001163260434 1383007107 /nfs/dbraw/zinc/00/71/07/1383007107.db2.gz KWCNGHBJKHVFEX-UHFFFAOYSA-N 0 0 342.403 3.399 10 5 EGBERN Cc1ccccc1CCN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001163383992 1383037964 /nfs/dbraw/zinc/03/79/64/1383037964.db2.gz QPJKSUDEEDXIJR-UHFFFAOYSA-N 0 0 339.395 3.467 10 5 EGBERN Cc1cc(NCCc2cnc3c(Cl)cnn3c2)c(F)cc1[N+](=O)[O-] ZINC001163408304 1383045512 /nfs/dbraw/zinc/04/55/12/1383045512.db2.gz LYJWEXUADKVYHD-UHFFFAOYSA-N 0 0 349.753 3.393 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001163605108 1383087737 /nfs/dbraw/zinc/08/77/37/1383087737.db2.gz HTGGVPJYTZXRLV-SNVBAGLBSA-N 0 0 335.301 3.420 10 5 EGBERN Cc1c(Nc2c(Cl)cncc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC001163657094 1383096461 /nfs/dbraw/zinc/09/64/61/1383096461.db2.gz RWHMFVYOJRLQMC-UHFFFAOYSA-N 0 0 347.737 3.442 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC001163759338 1383118722 /nfs/dbraw/zinc/11/87/22/1383118722.db2.gz JKENXQGECAQUPN-HAQNSBGRSA-N 0 0 336.388 3.448 10 5 EGBERN COc1ccccc1CONC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001297138681 1383121459 /nfs/dbraw/zinc/12/14/59/1383121459.db2.gz SSPSQWWBYSKHDK-UHFFFAOYSA-N 0 0 330.340 3.082 10 5 EGBERN O=[N+]([O-])c1cnc(SCc2ccccn2)c(Br)c1 ZINC001163818298 1383125031 /nfs/dbraw/zinc/12/50/31/1383125031.db2.gz UPDGIRKDFCEXAL-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN CN1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942316 1383138083 /nfs/dbraw/zinc/13/80/83/1383138083.db2.gz UBVHPPROKWMIME-INIZCTEOSA-N 0 0 328.328 3.102 10 5 EGBERN C[C@@H](Nc1ccnc(-c2nccs2)n1)c1ccccc1[N+](=O)[O-] ZINC001164061947 1383151771 /nfs/dbraw/zinc/15/17/71/1383151771.db2.gz YUMDVPAPYPVJCS-SNVBAGLBSA-N 0 0 327.369 3.103 10 5 EGBERN Cc1csc([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164068313 1383152848 /nfs/dbraw/zinc/15/28/48/1383152848.db2.gz UZVBMABWOSOJMJ-SNVBAGLBSA-N 0 0 334.357 3.262 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC2(CCC2)CO1 ZINC001164158509 1383161651 /nfs/dbraw/zinc/16/16/51/1383161651.db2.gz LHUIPMFFSJQMEN-LBPRGKRZSA-N 0 0 334.372 3.061 10 5 EGBERN CCOc1cc(N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1[N+](=O)[O-] ZINC001164226563 1383168483 /nfs/dbraw/zinc/16/84/83/1383168483.db2.gz VEAZSCJCLFIATG-ZETCQYMHSA-N 0 0 345.281 3.304 10 5 EGBERN Cc1ccccc1C1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC001164499844 1383194021 /nfs/dbraw/zinc/19/40/21/1383194021.db2.gz GQWVYELNLZSJME-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001165645543 1383319300 /nfs/dbraw/zinc/31/93/00/1383319300.db2.gz RZFCECBZGUQLBG-UHFFFAOYSA-N 0 0 340.166 3.428 10 5 EGBERN CC(C)(C)c1coc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)n1 ZINC001166240743 1383406265 /nfs/dbraw/zinc/40/62/65/1383406265.db2.gz WDJGTNWBKUIKPH-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298757691 1383426483 /nfs/dbraw/zinc/42/64/83/1383426483.db2.gz MPQCOUNHZZTNEI-IVMMDQJWSA-N 0 0 334.416 3.301 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S[C@@H]1CCCS(=O)(=O)C1 ZINC001166944709 1383503191 /nfs/dbraw/zinc/50/31/91/1383503191.db2.gz GKFIRBIQNPWSLW-DGCLKSJQSA-N 0 0 329.443 3.275 10 5 EGBERN CNc1nccc(C(=O)Nc2c(OC)cccc2SC)c1[N+](=O)[O-] ZINC001299497082 1383549921 /nfs/dbraw/zinc/54/99/21/1383549921.db2.gz UCRCNVMNMYTXAW-UHFFFAOYSA-N 0 0 348.384 3.014 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2[nH]ccc2c1 ZINC001299932185 1383635419 /nfs/dbraw/zinc/63/54/19/1383635419.db2.gz OIANVEUCHOLQOD-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN O=C(Nc1cnn2c1CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001302373962 1383751279 /nfs/dbraw/zinc/75/12/79/1383751279.db2.gz OPWAOSKZMVHXPS-UHFFFAOYSA-N 0 0 326.312 3.126 10 5 EGBERN C[C@]1(C2CCCCC2)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001302916398 1383772935 /nfs/dbraw/zinc/77/29/35/1383772935.db2.gz MPTLHWIGNNLKEC-CQSZACIVSA-N 0 0 326.784 3.156 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nn1ccccc1=O ZINC001306820734 1383906490 /nfs/dbraw/zinc/90/64/90/1383906490.db2.gz UHDNAIYRMMRQMQ-UHFFFAOYSA-N 0 0 347.396 3.033 10 5 EGBERN CC(C)(O)c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001306829794 1383907887 /nfs/dbraw/zinc/90/78/87/1383907887.db2.gz OYNRRHDSKMKXMQ-UHFFFAOYSA-N 0 0 348.786 3.406 10 5 EGBERN CCn1c2ccccc2nc(Oc2cccc([N+](=O)[O-])c2C)c1=O ZINC001306936267 1383922996 /nfs/dbraw/zinc/92/29/96/1383922996.db2.gz AITSFWRYPIWUMG-UHFFFAOYSA-N 0 0 325.324 3.425 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1OCC1CC1 ZINC001306975399 1383928668 /nfs/dbraw/zinc/92/86/68/1383928668.db2.gz RZEQTGMMTCABKD-UHFFFAOYSA-N 0 0 333.775 3.466 10 5 EGBERN NC(=O)c1cc(NC[C@@H]2SCCc3ccccc32)ccc1[N+](=O)[O-] ZINC001306981053 1383929127 /nfs/dbraw/zinc/92/91/27/1383929127.db2.gz BRSXBVZXORBVJL-INIZCTEOSA-N 0 0 343.408 3.136 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001307002258 1383932016 /nfs/dbraw/zinc/93/20/16/1383932016.db2.gz HXBDYIONTBTDKP-UHFFFAOYSA-N 0 0 346.240 3.034 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccnc2)cc1C(F)(F)F ZINC001307147096 1383945668 /nfs/dbraw/zinc/94/56/68/1383945668.db2.gz ZMPIDAJBEOCRTA-GFCCVEGCSA-N 0 0 327.262 3.154 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC001307178689 1383951099 /nfs/dbraw/zinc/95/10/99/1383951099.db2.gz OMGQDOUBMDKQHX-HOTGVXAUSA-N 0 0 334.372 3.141 10 5 EGBERN COc1cc(NCc2c3nc[nH]c3ccc2F)c([N+](=O)[O-])cc1OC ZINC001307187269 1383952629 /nfs/dbraw/zinc/95/26/29/1383952629.db2.gz HOMHWWVTUVBPSA-UHFFFAOYSA-N 0 0 346.318 3.240 10 5 EGBERN CCOc1cc(NCCc2ccccc2C(=O)OC)ccc1[N+](=O)[O-] ZINC001307218144 1383958407 /nfs/dbraw/zinc/95/84/07/1383958407.db2.gz DMIQHOKBIHCSEH-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN CC(C)(C)OC(=O)NC1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001307221721 1383959739 /nfs/dbraw/zinc/95/97/39/1383959739.db2.gz ZMMJABYBXUCBLR-UHFFFAOYSA-N 0 0 342.783 3.112 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC001307226590 1383961312 /nfs/dbraw/zinc/96/13/12/1383961312.db2.gz WEIWHYFJNVHLEN-QPUJVOFHSA-N 0 0 333.335 3.198 10 5 EGBERN CCCC1(CCC)NC(=O)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC001307238248 1383962622 /nfs/dbraw/zinc/96/26/22/1383962622.db2.gz XOQIGLDAAVNWMT-UHFFFAOYSA-N 0 0 333.388 3.294 10 5 EGBERN O=C(CCCc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001307276812 1383965640 /nfs/dbraw/zinc/96/56/40/1383965640.db2.gz BMXCBQMMBPQCBG-UHFFFAOYSA-N 0 0 340.335 3.095 10 5 EGBERN Cn1cnc(CSc2nc3cc4ccccc4cc3c(=O)n2C)c1 ZINC001307273500 1383965809 /nfs/dbraw/zinc/96/58/09/1383965809.db2.gz DCNRJNAVNTXKQA-UHFFFAOYSA-N 0 0 336.420 3.113 10 5 EGBERN COC(=O)c1cccc(OCCOc2ccc([N+](=O)[O-])cc2C)c1 ZINC001307319713 1383970817 /nfs/dbraw/zinc/97/08/17/1383970817.db2.gz MULABPMCEODWBB-UHFFFAOYSA-N 0 0 331.324 3.148 10 5 EGBERN COC(=O)c1cc2ccc(OCc3cccnc3[N+](=O)[O-])cc2o1 ZINC001307331153 1383973192 /nfs/dbraw/zinc/97/31/92/1383973192.db2.gz FEUWYMCXMMKCRH-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OC/C=C/Cl ZINC001307369232 1383978537 /nfs/dbraw/zinc/97/85/37/1383978537.db2.gz AMDQECDRTUQYPV-OWOJBTEDSA-N 0 0 337.513 3.397 10 5 EGBERN Cn1ccc(C(=O)COc2cccc(C(F)(F)F)c2[N+](=O)[O-])c1 ZINC001307406165 1383983670 /nfs/dbraw/zinc/98/36/70/1383983670.db2.gz YUSNJRKKOBKDGV-UHFFFAOYSA-N 0 0 328.246 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cccc(F)c2F)c1F ZINC001169260666 1384129014 /nfs/dbraw/zinc/12/90/14/1384129014.db2.gz LZYJRMAKKJNDIA-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]ccc(=O)c2c1 ZINC001169588061 1384162404 /nfs/dbraw/zinc/16/24/04/1384162404.db2.gz KKFJGZAXHRSFDH-UHFFFAOYSA-N 0 0 341.298 3.136 10 5 EGBERN O=C(CN1CCc2cc(F)ccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001169755069 1384182960 /nfs/dbraw/zinc/18/29/60/1384182960.db2.gz RUVACMBZJHNRPE-UHFFFAOYSA-N 0 0 349.749 3.389 10 5 EGBERN CC(=O)c1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1C ZINC001310931546 1384247330 /nfs/dbraw/zinc/24/73/30/1384247330.db2.gz WHYXDHDSOPTMDE-UHFFFAOYSA-N 0 0 341.367 3.470 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cc3cnccc3o2)c1F ZINC001175159843 1385208034 /nfs/dbraw/zinc/20/80/34/1385208034.db2.gz ADLCXKPUAZNZHU-UHFFFAOYSA-N 0 0 347.277 3.253 10 5 EGBERN C[C@H](NCc1nnc(-c2cccc(O)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001176035666 1385468705 /nfs/dbraw/zinc/46/87/05/1385468705.db2.gz ACJNHZLWBAVWRD-NSHDSACASA-N 0 0 340.339 3.201 10 5 EGBERN O=C(CN(Cc1ccoc1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001176504971 1385609242 /nfs/dbraw/zinc/60/92/42/1385609242.db2.gz JZUUEDBNTAYIHG-UHFFFAOYSA-N 0 0 349.774 3.444 10 5 EGBERN CCc1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[nH]1 ZINC001178662142 1386272158 /nfs/dbraw/zinc/27/21/58/1386272158.db2.gz GZDTWWLOTZYCAZ-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN Cn1cc(COc2ccc([N+](=O)[O-])c3ncccc23)c(C(F)F)n1 ZINC001320330587 1386577075 /nfs/dbraw/zinc/57/70/75/1386577075.db2.gz IRONDGOQGWORIR-UHFFFAOYSA-N 0 0 334.282 3.393 10 5 EGBERN CCCCCCN(Cc1ccco1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC001180200016 1386730934 /nfs/dbraw/zinc/73/09/34/1386730934.db2.gz DKYQXBXFMXXYRH-UHFFFAOYSA-N 0 0 334.376 3.442 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321408969 1386896110 /nfs/dbraw/zinc/89/61/10/1386896110.db2.gz RLHUDICYSZDVQU-NSHDSACASA-N 0 0 341.371 3.310 10 5 EGBERN CC(C)c1nnc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]1 ZINC001321569538 1386932426 /nfs/dbraw/zinc/93/24/26/1386932426.db2.gz FBUNBIMTLQHYFI-UHFFFAOYSA-N 0 0 347.378 3.175 10 5 EGBERN CO[C@@H](COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001329431289 1389109701 /nfs/dbraw/zinc/10/97/01/1389109701.db2.gz ZMRCNJHBUQKEKQ-ZDUSSCGKSA-N 0 0 329.299 3.045 10 5 EGBERN CN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329627881 1389192657 /nfs/dbraw/zinc/19/26/57/1389192657.db2.gz DTAXWEUOJUPTBL-HNNXBMFYSA-N 0 0 328.368 3.389 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330168034 1389323638 /nfs/dbraw/zinc/32/36/38/1389323638.db2.gz HRUBTVJTTODGHE-ADEWGFFLSA-N 0 0 325.315 3.459 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cc(C3CC3)nn2C)ccc1[N+](=O)[O-] ZINC001331366318 1389720531 /nfs/dbraw/zinc/72/05/31/1389720531.db2.gz SPFBNUPUOTZZFF-UHFFFAOYSA-N 0 0 344.371 3.245 10 5 EGBERN COc1ccc([C@H]2CCN(c3c(C)cncc3[N+](=O)[O-])C2)cc1F ZINC001331557252 1389797841 /nfs/dbraw/zinc/79/78/41/1389797841.db2.gz YYQXVTTWDWHPRZ-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1nc(N[C@@H](Cc2cccnc2)C2CCCC2)ncc1[N+](=O)[O-] ZINC001331961440 1389926945 /nfs/dbraw/zinc/92/69/45/1389926945.db2.gz PQUJDGWEERWGFU-HNNXBMFYSA-N 0 0 327.388 3.302 10 5 EGBERN CO[C@H](COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC001333228175 1390269089 /nfs/dbraw/zinc/26/90/89/1390269089.db2.gz OKJGKNXDEBUHGF-CQSZACIVSA-N 0 0 327.764 3.149 10 5 EGBERN C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001341298888 1390467766 /nfs/dbraw/zinc/46/77/66/1390467766.db2.gz AMDUNGDOJCIUHC-GLQYFDAESA-N 0 0 348.399 3.140 10 5 EGBERN CSc1ccc(C(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001334554211 1390557499 /nfs/dbraw/zinc/55/74/99/1390557499.db2.gz QJIXRXBAIKHWSV-UHFFFAOYSA-N 0 0 328.340 3.234 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001344484321 1390794540 /nfs/dbraw/zinc/79/45/40/1390794540.db2.gz ABFLBJGQWOLMQE-UHFFFAOYSA-N 0 0 343.387 3.263 10 5 EGBERN CCOc1ccc(C(=O)OC[C@@]23CCC[C@@H]2OCC3)cc1[N+](=O)[O-] ZINC001344850040 1390819023 /nfs/dbraw/zinc/81/90/23/1390819023.db2.gz BKVVAFGWBNGGTI-RDJZCZTQSA-N 0 0 335.356 3.110 10 5 EGBERN O=C(OC[C@@]12CCC[C@H]1OCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001345639128 1390870873 /nfs/dbraw/zinc/87/08/73/1390870873.db2.gz SGSVKVKWJPAIEY-LHHMISFZSA-N 0 0 331.368 3.201 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001346539604 1390952183 /nfs/dbraw/zinc/95/21/83/1390952183.db2.gz COLNCQHLOLTJLO-KOMQPUFPSA-N 0 0 347.415 3.009 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC001348023874 1391161461 /nfs/dbraw/zinc/16/14/61/1391161461.db2.gz AUBOJNVIMIYLQT-OAGGEKHMSA-N 0 0 345.443 3.316 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001348279394 1391198243 /nfs/dbraw/zinc/19/82/43/1391198243.db2.gz KBKACALXMYIPKN-SOLBZPMBSA-N 0 0 346.427 3.191 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001348437869 1391219338 /nfs/dbraw/zinc/21/93/38/1391219338.db2.gz BEMZFKXAJCEOFW-VHSXEESVSA-N 0 0 340.763 3.166 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC001348549050 1391236293 /nfs/dbraw/zinc/23/62/93/1391236293.db2.gz YXTDUPHVTQUROQ-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN CS(C)(=O)=Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC001349293290 1391317940 /nfs/dbraw/zinc/31/79/40/1391317940.db2.gz BOYXRRGNWMSZEF-UHFFFAOYSA-N 0 0 334.353 3.173 10 5 EGBERN CCc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C2 ZINC001349713491 1391357525 /nfs/dbraw/zinc/35/75/25/1391357525.db2.gz CGHQNASQHNKCOM-UHFFFAOYSA-N 0 0 325.368 3.059 10 5 EGBERN CCOC(=O)c1csc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC001349755333 1391362561 /nfs/dbraw/zinc/36/25/61/1391362561.db2.gz IPPWLTMQODFECT-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1sc2cccc(F)c2c1COC ZINC001349805941 1391369674 /nfs/dbraw/zinc/36/96/74/1391369674.db2.gz PPNVWBDLLTUUFJ-VIFPVBQESA-N 0 0 341.360 3.399 10 5 EGBERN CS(C)(=O)=Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001350012177 1391398031 /nfs/dbraw/zinc/39/80/31/1391398031.db2.gz AJVIBRPJZRYYMF-UHFFFAOYSA-N 0 0 348.380 3.311 10 5 EGBERN C/C(=C/C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001350299316 1391443034 /nfs/dbraw/zinc/44/30/34/1391443034.db2.gz PCNUFTFNJRULQV-GAJOTYCWSA-N 0 0 343.408 3.471 10 5 EGBERN CNC(=O)Nc1ccc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC001350586143 1391484594 /nfs/dbraw/zinc/48/45/94/1391484594.db2.gz GJVWELHUPKNNJX-UHFFFAOYSA-N 0 0 343.339 3.182 10 5 EGBERN COCCOc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC001350934291 1391562706 /nfs/dbraw/zinc/56/27/06/1391562706.db2.gz BOGKVNNNYRMTPJ-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC001350940253 1391564639 /nfs/dbraw/zinc/56/46/39/1391564639.db2.gz LRTQBZXSESCPAN-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC001351028683 1391584250 /nfs/dbraw/zinc/58/42/50/1391584250.db2.gz YNIIMWIHAGENSG-INIZCTEOSA-N 0 0 345.399 3.353 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001351242273 1391615356 /nfs/dbraw/zinc/61/53/56/1391615356.db2.gz FQRRUHAVMWPLIW-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN Cc1cnc(COC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(C)c1[N+](=O)[O-] ZINC001351257066 1391617516 /nfs/dbraw/zinc/61/75/16/1391617516.db2.gz XLLSAYDTOCJVAJ-UTUOFQBUSA-N 0 0 340.326 3.331 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(c2ccccc2)C1 ZINC001351312326 1391625424 /nfs/dbraw/zinc/62/54/24/1391625424.db2.gz PSWYKTHQJOZCKW-GFCCVEGCSA-N 0 0 329.331 3.199 10 5 EGBERN CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001351501377 1391645727 /nfs/dbraw/zinc/64/57/27/1391645727.db2.gz FAVGAGOSUJDSRK-UHFFFAOYSA-N 0 0 342.399 3.337 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1cnccc1C(F)(F)F ZINC001351593510 1391654531 /nfs/dbraw/zinc/65/45/31/1391654531.db2.gz DTYNNYVHLGLUPO-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN CCC(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001352037330 1391749006 /nfs/dbraw/zinc/74/90/06/1391749006.db2.gz NKTGWGTWLVJUAG-UHFFFAOYSA-N 0 0 345.330 3.264 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001352594010 1391818930 /nfs/dbraw/zinc/81/89/30/1391818930.db2.gz VVIMCCGYSJVDAD-MBNYWOFBSA-N 0 0 346.383 3.412 10 5 EGBERN Cc1nn(C)c2ncc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc12 ZINC001353222610 1391964315 /nfs/dbraw/zinc/96/43/15/1391964315.db2.gz RUVSJGYZUAUYFV-UHFFFAOYSA-N 0 0 339.355 3.054 10 5 EGBERN O=C(CSCc1ccccn1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353336328 1391991620 /nfs/dbraw/zinc/99/16/20/1391991620.db2.gz DDFDMPWXBCNRMK-UHFFFAOYSA-N 0 0 339.323 3.140 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nccc2cccnc21 ZINC001353339276 1391991928 /nfs/dbraw/zinc/99/19/28/1391991928.db2.gz VXRIGERHQLMAOP-UHFFFAOYSA-N 0 0 330.250 3.069 10 5 EGBERN COC(=O)Cc1occ(C)c1C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001353347419 1391993489 /nfs/dbraw/zinc/99/34/89/1391993489.db2.gz KGIGIYPRNGOIMI-UHFFFAOYSA-N 0 0 347.323 3.048 10 5 EGBERN CCCCC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001353871082 1392104146 /nfs/dbraw/zinc/10/41/46/1392104146.db2.gz KOSIHLWNGZYPOD-UHFFFAOYSA-N 0 0 331.416 3.214 10 5 EGBERN COCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001353907533 1392107306 /nfs/dbraw/zinc/10/73/06/1392107306.db2.gz KCWIEJIZDQMCHN-UHFFFAOYSA-N 0 0 346.408 3.393 10 5 EGBERN CNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001354044677 1392118086 /nfs/dbraw/zinc/11/80/86/1392118086.db2.gz WZVMBLFCNNQHNY-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN CC(=O)Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC001354113789 1392121102 /nfs/dbraw/zinc/12/11/02/1392121102.db2.gz NQTVRTYVBSOPNX-UHFFFAOYSA-N 0 0 347.758 3.137 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001354450952 1392145210 /nfs/dbraw/zinc/14/52/10/1392145210.db2.gz MBFRHCQBYXJLLW-JTQLQIEISA-N 0 0 335.310 3.410 10 5 EGBERN O=C(Nc1ccnc2ccccc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354485514 1392147327 /nfs/dbraw/zinc/14/73/27/1392147327.db2.gz YWFOEYNIHXMGNI-HZPDHXFCSA-N 0 0 333.347 3.307 10 5 EGBERN CN(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001354563967 1392152813 /nfs/dbraw/zinc/15/28/13/1392152813.db2.gz LZHOFKSNEKOFNZ-INIZCTEOSA-N 0 0 347.802 3.167 10 5 EGBERN Cc1c(CC(=O)N=c2sc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC001354820658 1392170874 /nfs/dbraw/zinc/17/08/74/1392170874.db2.gz GRIFBODOMLFBCW-UHFFFAOYSA-N 0 0 341.392 3.126 10 5 EGBERN CN(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001355016509 1392185941 /nfs/dbraw/zinc/18/59/41/1392185941.db2.gz SVSKWFIXCMDJDC-HNNXBMFYSA-N 0 0 333.775 3.490 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001355056481 1392190009 /nfs/dbraw/zinc/19/00/09/1392190009.db2.gz XPAUHLVZAXJRFF-UHFFFAOYSA-N 0 0 348.295 3.104 10 5 EGBERN CCN(CCNC(=O)CC1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001480995412 1393075111 /nfs/dbraw/zinc/07/51/11/1393075111.db2.gz PQBBXTIWSYIWEX-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](c1ccccc1)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC001687575026 1396412595 /nfs/dbraw/zinc/41/25/95/1396412595.db2.gz CJDUOVMZIJQBSK-IIYDPXPESA-N 0 0 343.383 3.077 10 5 EGBERN CC[C@H]1COC(C)(C)CN1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001687732858 1396474179 /nfs/dbraw/zinc/47/41/79/1396474179.db2.gz PFQGMVVOJUSBOL-KGLIPLIRSA-N 0 0 349.431 3.297 10 5 EGBERN CCC1(C(=O)NCCN(C)c2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC001689820478 1404159272 /nfs/dbraw/zinc/15/92/72/1404159272.db2.gz QFSAUUDVSRNYPI-UHFFFAOYSA-N 0 0 337.395 3.257 10 5 EGBERN CC(C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001732124237 1428374276 /nfs/dbraw/zinc/37/42/76/1428374276.db2.gz ULCNOZYJFWWTIC-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN CN(CCNC(=O)CCCCC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC001705471347 1417122080 /nfs/dbraw/zinc/12/20/80/1417122080.db2.gz IHWNXOXYNJUJAV-UHFFFAOYSA-N 0 0 336.436 3.149 10 5 EGBERN C/C(=C/C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001713554526 1418344206 /nfs/dbraw/zinc/34/42/06/1418344206.db2.gz XDUSWWCKPVHDLW-WQLSENKSSA-N 0 0 349.456 3.093 10 5 EGBERN CCN(CCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577331 1419314006 /nfs/dbraw/zinc/31/40/06/1419314006.db2.gz BLSDGXHQGKALPH-KHPPLWFESA-N 0 0 333.432 3.135 10 5 EGBERN CC/C(C)=C\C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001725814300 1426490545 /nfs/dbraw/zinc/49/05/45/1426490545.db2.gz SGOPMCTXCNRFIX-PTNGSMBKSA-N 0 0 343.427 3.199 10 5 EGBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C ZINC001743018107 1439535295 /nfs/dbraw/zinc/53/52/95/1439535295.db2.gz STIOQHCRQNSPGT-JMSVASOKSA-N 0 0 327.388 3.423 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF)C1CC1 ZINC001745944381 1439835088 /nfs/dbraw/zinc/83/50/88/1439835088.db2.gz ZNSXIHBPCQNNNH-SWLSCSKDSA-N 0 0 345.378 3.373 10 5 EGBERN Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CC1(C)CC1 ZINC001751887955 1440125511 /nfs/dbraw/zinc/12/55/11/1440125511.db2.gz APKPGJUJYBHADC-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)([O-])CC1 ZINC000575330383 717183891 /nfs/dbraw/zinc/18/38/91/717183891.db2.gz KIAIFXWRJNFSLK-UHFFFAOYSA-N 0 0 329.449 3.343 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Br ZINC000050698899 214066801 /nfs/dbraw/zinc/06/68/01/214066801.db2.gz BJJIUGKIFHHQSN-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN CCOC(=O)c1nc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000052045815 214113604 /nfs/dbraw/zinc/11/36/04/214113604.db2.gz VIGXLKHCFGTURR-LLVKDONJSA-N 0 0 349.412 3.421 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000368331048 168342952 /nfs/dbraw/zinc/34/29/52/168342952.db2.gz ZLDZXBOZTYYFKI-JLHYYAGUSA-N 0 0 340.383 3.127 10 5 EGBERN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCOCC1 ZINC000368470667 168360439 /nfs/dbraw/zinc/36/04/39/168360439.db2.gz NHLOOIIUZNUDGS-LLVKDONJSA-N 0 0 347.396 3.474 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000173557111 230970109 /nfs/dbraw/zinc/97/01/09/230970109.db2.gz VRVAXPZJGUCDHJ-BXUZGUMPSA-N 0 0 346.387 3.001 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000173562139 230971907 /nfs/dbraw/zinc/97/19/07/230971907.db2.gz QZWYYZWSMCODKD-KRWDZBQOSA-N 0 0 343.383 3.066 10 5 EGBERN CC[C@H](NC(=O)CSc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177784942 529479239 /nfs/dbraw/zinc/47/92/39/529479239.db2.gz MMZKOXYLYQTFHF-HNNXBMFYSA-N 0 0 331.397 3.349 10 5 EGBERN CC[C@@H](NC(=O)NCC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000134102275 529619533 /nfs/dbraw/zinc/61/95/33/529619533.db2.gz CUNOTSDHAZAYSU-OAHLLOKOSA-N 0 0 337.420 3.144 10 5 EGBERN CCc1ccc(OCc2cc(-c3cnn(C)c3)no2)c([N+](=O)[O-])c1 ZINC000184010918 529695283 /nfs/dbraw/zinc/69/52/83/529695283.db2.gz RQPQQCVLFRFGJT-UHFFFAOYSA-N 0 0 328.328 3.125 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000177953628 232040963 /nfs/dbraw/zinc/04/09/63/232040963.db2.gz YVLKGNXLJHIUMG-BXUZGUMPSA-N 0 0 326.418 3.146 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067012208 215104434 /nfs/dbraw/zinc/10/44/34/215104434.db2.gz SEYVQLXUUIPCCD-UHFFFAOYSA-N 0 0 328.372 3.476 10 5 EGBERN COc1cccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000003285207 209998096 /nfs/dbraw/zinc/99/80/96/209998096.db2.gz MCENAYYLGNPSRF-NSHDSACASA-N 0 0 345.355 3.051 10 5 EGBERN CC(=O)c1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1C ZINC000040883412 213398114 /nfs/dbraw/zinc/39/81/14/213398114.db2.gz PRSJNSLUKVGXKA-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN COCCNc1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592812 213356660 /nfs/dbraw/zinc/35/66/60/213356660.db2.gz DHMZEOHUOAOMHB-UHFFFAOYSA-N 0 0 337.767 3.149 10 5 EGBERN CC(C)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000069366100 215388869 /nfs/dbraw/zinc/38/88/69/215388869.db2.gz KNNWIXLAZONTNF-QWHCGFSZSA-N 0 0 349.431 3.143 10 5 EGBERN CCc1ccc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000040106767 213266352 /nfs/dbraw/zinc/26/63/52/213266352.db2.gz KVPDDJRVFFKKTH-UHFFFAOYSA-N 0 0 334.397 3.304 10 5 EGBERN CCOC(=O)Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000038421501 213208530 /nfs/dbraw/zinc/20/85/30/213208530.db2.gz ZSXMIXQZWZBQNW-UHFFFAOYSA-N 0 0 331.353 3.077 10 5 EGBERN COC(=O)c1sc(Oc2ccc([N+](=O)[O-])cc2F)nc1Cl ZINC000038082478 213201152 /nfs/dbraw/zinc/20/11/52/213201152.db2.gz FKPTTYDWAHFPOV-UHFFFAOYSA-N 0 0 332.696 3.423 10 5 EGBERN CS(=O)(=O)c1ccc(Nc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000069872304 215613164 /nfs/dbraw/zinc/61/31/64/215613164.db2.gz VCMNBJNCYFHRLU-UHFFFAOYSA-N 0 0 331.353 3.223 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000106696912 283277721 /nfs/dbraw/zinc/27/77/21/283277721.db2.gz ZFAJURISSQXXIG-LBPRGKRZSA-N 0 0 326.418 3.386 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355804550 283288239 /nfs/dbraw/zinc/28/82/39/283288239.db2.gz UBVVZDXXBAWOPW-CYBMUJFWSA-N 0 0 336.388 3.025 10 5 EGBERN COc1cccc(-c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)[nH]2)c1 ZINC000072237715 216076577 /nfs/dbraw/zinc/07/65/77/216076577.db2.gz NZSJJMZZHVQLCF-UHFFFAOYSA-N 0 0 326.312 3.064 10 5 EGBERN CCc1cccc(CC)c1NC(=O)COc1ncc(C)cc1[N+](=O)[O-] ZINC000072311166 216146713 /nfs/dbraw/zinc/14/67/13/216146713.db2.gz COEMFTQUZXHTRH-UHFFFAOYSA-N 0 0 343.383 3.441 10 5 EGBERN O=C(c1cccc2ccccc21)n1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000000187256 209471299 /nfs/dbraw/zinc/47/12/99/209471299.db2.gz QWBAIWKBAVFNJR-UHFFFAOYSA-N 0 0 334.287 3.344 10 5 EGBERN Nc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000023386934 212373859 /nfs/dbraw/zinc/37/38/59/212373859.db2.gz IGYLOUYPMNSYMG-UWVGGRQHSA-N 0 0 331.294 3.028 10 5 EGBERN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000021794911 212249971 /nfs/dbraw/zinc/24/99/71/212249971.db2.gz SOUXKARFBJMZDJ-JTQLQIEISA-N 0 0 340.339 3.484 10 5 EGBERN O=C(CCCc1nc(-c2ccco2)no1)Nc1ccc([N+](=O)[O-])cc1 ZINC000020894304 212183395 /nfs/dbraw/zinc/18/33/95/212183395.db2.gz FQOMTLMVEGWQLK-UHFFFAOYSA-N 0 0 342.311 3.199 10 5 EGBERN O=C(N[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179550083 284216819 /nfs/dbraw/zinc/21/68/19/284216819.db2.gz XUPYTGOYKDNOSG-HNNXBMFYSA-N 0 0 349.346 3.397 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2ccccc2[C@@H]1C ZINC000340813297 291601459 /nfs/dbraw/zinc/60/14/59/291601459.db2.gz HNWZUCJPHZXAJR-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN CC(=O)N[C@H](C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000084809423 217647774 /nfs/dbraw/zinc/64/77/74/217647774.db2.gz LAHQOGQJFTZYHB-SJCJKPOMSA-N 0 0 348.399 3.202 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CCC[C@@H]21 ZINC000408376436 296226625 /nfs/dbraw/zinc/22/66/25/296226625.db2.gz SKOPDLGOKDXDSD-RNCFNFMXSA-N 0 0 339.189 3.372 10 5 EGBERN Cc1csc(C2(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCC2)n1 ZINC000265275195 247361984 /nfs/dbraw/zinc/36/19/84/247361984.db2.gz HHRKTOQOTWZNSR-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN Cc1cc(N2CCCN(c3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000376470846 168910113 /nfs/dbraw/zinc/91/01/13/168910113.db2.gz APXPFYWUCLAZPD-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000378147878 169076361 /nfs/dbraw/zinc/07/63/61/169076361.db2.gz ZBWHKKNQVBKNPV-OAHLLOKOSA-N 0 0 325.368 3.146 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000378619878 169148169 /nfs/dbraw/zinc/14/81/69/169148169.db2.gz RSODVZADINPUEX-YVEFUNNKSA-N 0 0 336.363 3.151 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CCCOC2)C1 ZINC000408297775 169169711 /nfs/dbraw/zinc/16/97/11/169169711.db2.gz LDFPIHZHAKGOFV-SFHVURJKSA-N 0 0 343.383 3.109 10 5 EGBERN CC(C)Cn1nnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009591536 211106271 /nfs/dbraw/zinc/10/62/71/211106271.db2.gz FXQMQYZITCVTFD-UHFFFAOYSA-N 0 0 347.322 3.407 10 5 EGBERN CC(=O)c1cccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000006831541 210724886 /nfs/dbraw/zinc/72/48/86/210724886.db2.gz YTQFTBDWRBYFSI-UHFFFAOYSA-N 0 0 327.340 3.156 10 5 EGBERN Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])n1 ZINC000005969990 210569654 /nfs/dbraw/zinc/56/96/54/210569654.db2.gz SVBKKRBJPNRVBY-UHFFFAOYSA-N 0 0 330.384 3.463 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H]2c2ccccc2)s1 ZINC000097083825 218945214 /nfs/dbraw/zinc/94/52/14/218945214.db2.gz GEAUHBPDXMAEAC-QWRGUYRKSA-N 0 0 338.410 3.028 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)NC3=O)cc1 ZINC000004929021 210328100 /nfs/dbraw/zinc/32/81/00/210328100.db2.gz CADHVGATJJKZED-OAHLLOKOSA-N 0 0 334.335 3.126 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3cc(Br)ccc3C2)cn1 ZINC000357847141 285131984 /nfs/dbraw/zinc/13/19/84/285131984.db2.gz ALGUSJQAECOVMK-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1 ZINC000373380497 285173036 /nfs/dbraw/zinc/17/30/36/285173036.db2.gz YTVHTLLEOTVDTD-CYBMUJFWSA-N 0 0 349.188 3.489 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCc4sc(Cl)cc43)nn21 ZINC000368303069 285184757 /nfs/dbraw/zinc/18/47/57/285184757.db2.gz BMVSCFXTWABVRD-VIFPVBQESA-N 0 0 349.803 3.264 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCc3ccccc32)s1 ZINC000129100967 533437930 /nfs/dbraw/zinc/43/79/30/533437930.db2.gz YWUCAPJJICEWFJ-NSHDSACASA-N 0 0 338.410 3.159 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000246894689 141042344 /nfs/dbraw/zinc/04/23/44/141042344.db2.gz GTILQAOJABEDKB-WFASDCNBSA-N 0 0 329.356 3.352 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000338058073 141084723 /nfs/dbraw/zinc/08/47/23/141084723.db2.gz JCWUXXBQYMWLLD-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000338089839 141091800 /nfs/dbraw/zinc/09/18/00/141091800.db2.gz SCZJZWVDQCMJIH-OAHLLOKOSA-N 0 0 348.305 3.299 10 5 EGBERN COCc1ccsc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338140780 141101414 /nfs/dbraw/zinc/10/14/14/141101414.db2.gz BNRGPSXWSJYGSL-UHFFFAOYSA-N 0 0 334.397 3.117 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2ncccc21 ZINC000338142152 141101905 /nfs/dbraw/zinc/10/19/05/141101905.db2.gz KNLLULYDJBZDOP-UHFFFAOYSA-N 0 0 335.363 3.458 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cn1 ZINC000347882220 141209805 /nfs/dbraw/zinc/20/98/05/141209805.db2.gz ZAJLQQZKEZPTEZ-AWEZNQCLSA-N 0 0 336.355 3.116 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347884060 141210105 /nfs/dbraw/zinc/21/01/05/141210105.db2.gz VSOYYTDJOKFUKU-ONGXEEELSA-N 0 0 345.321 3.440 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCC1CCOCC1 ZINC000347890469 141211453 /nfs/dbraw/zinc/21/14/53/141211453.db2.gz JLSIEFDVTAMSDJ-ZDUSSCGKSA-N 0 0 332.400 3.469 10 5 EGBERN Cn1c(C(=O)N(Cc2ccccc2)c2ccncc2)ccc1[N+](=O)[O-] ZINC000353457165 141300508 /nfs/dbraw/zinc/30/05/08/141300508.db2.gz QYZORBYBCNGOCJ-UHFFFAOYSA-N 0 0 336.351 3.175 10 5 EGBERN CCc1ccc(C(=O)N[C@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000173371468 144040198 /nfs/dbraw/zinc/04/01/98/144040198.db2.gz WBGDLIGQIUUOMQ-MRXNPFEDSA-N 0 0 328.368 3.275 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184915481 144100767 /nfs/dbraw/zinc/10/07/67/144100767.db2.gz YXEKTDRPTWUIBA-LLVKDONJSA-N 0 0 347.321 3.206 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000186747299 144142151 /nfs/dbraw/zinc/14/21/51/144142151.db2.gz WIDGTJSSLAAOMN-LLVKDONJSA-N 0 0 337.335 3.340 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(Nc2nccs2)CC1 ZINC000186950992 144148268 /nfs/dbraw/zinc/14/82/68/144148268.db2.gz ZVAPWTGISNSISM-UHFFFAOYSA-N 0 0 347.400 3.160 10 5 EGBERN CCOC(=O)c1c(C)onc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000351692498 144290871 /nfs/dbraw/zinc/29/08/71/144290871.db2.gz HVAANQYJZMSEJM-UHFFFAOYSA-N 0 0 340.719 3.300 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC3CCC2CC3)cc1OC ZINC000351696907 144292124 /nfs/dbraw/zinc/29/21/24/144292124.db2.gz YGMOVFAQYSCLHJ-ORHYLEIMSA-N 0 0 348.399 3.311 10 5 EGBERN COc1cc(Cn2cnc3sc(C)c(C)c3c2=O)ccc1[N+](=O)[O-] ZINC000351842242 144315532 /nfs/dbraw/zinc/31/55/32/144315532.db2.gz WLBHGSLNRRUVQR-UHFFFAOYSA-N 0 0 345.380 3.040 10 5 EGBERN CN(CC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361740855 144358009 /nfs/dbraw/zinc/35/80/09/144358009.db2.gz MLAGMULLCJEIDJ-IBGZPJMESA-N 0 0 343.427 3.380 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H](OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369981775 144463065 /nfs/dbraw/zinc/46/30/65/144463065.db2.gz DEGBSOJTRTXXEI-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCOCC1 ZINC000373268402 144500091 /nfs/dbraw/zinc/50/00/91/144500091.db2.gz COAKCOWGVGUABT-NSHDSACASA-N 0 0 346.305 3.047 10 5 EGBERN O=C1Nc2ccccc2[C@@H]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121679155 152364237 /nfs/dbraw/zinc/36/42/37/152364237.db2.gz YPAUQOQWUKBECI-NSHDSACASA-N 0 0 333.294 3.411 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174414741 152858521 /nfs/dbraw/zinc/85/85/21/152858521.db2.gz LSDDWDRQZWCNSB-LLVKDONJSA-N 0 0 347.346 3.032 10 5 EGBERN CCOc1cc(OCC(=O)c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000188615306 153024969 /nfs/dbraw/zinc/02/49/69/153024969.db2.gz CVGNRAKBJCSHAX-UHFFFAOYSA-N 0 0 331.324 3.264 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc(F)c(OC)c2)cc1[N+](=O)[O-] ZINC000189420142 153068564 /nfs/dbraw/zinc/06/85/64/153068564.db2.gz VZOGEWALRXHRQQ-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)c1 ZINC000189669734 153087952 /nfs/dbraw/zinc/08/79/52/153087952.db2.gz TUEPCVUTZNIWGU-CQSZACIVSA-N 0 0 339.395 3.424 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)c1 ZINC000189669757 153087958 /nfs/dbraw/zinc/08/79/58/153087958.db2.gz TUEPCVUTZNIWGU-AWEZNQCLSA-N 0 0 339.395 3.424 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000190128458 153118483 /nfs/dbraw/zinc/11/84/83/153118483.db2.gz XDCPPCIUBBUGEZ-OAHLLOKOSA-N 0 0 330.315 3.296 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327828 153188306 /nfs/dbraw/zinc/18/83/06/153188306.db2.gz YHHLIPXTXGVGKE-GFCCVEGCSA-N 0 0 344.371 3.498 10 5 EGBERN Cc1cc([C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000193490736 153292824 /nfs/dbraw/zinc/29/28/24/153292824.db2.gz DAPKNLNWRQUPKP-KRWDZBQOSA-N 0 0 331.347 3.202 10 5 EGBERN COc1cccc(N2CCC(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000193567459 153294749 /nfs/dbraw/zinc/29/47/49/153294749.db2.gz ZHUPPICQJQIDEH-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219642 153388993 /nfs/dbraw/zinc/38/89/93/153388993.db2.gz JNIHDYYEYNPPJI-SJKOYZFVSA-N 0 0 345.399 3.401 10 5 EGBERN Cn1c2ccc(Cl)cc2nc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000339276804 154787986 /nfs/dbraw/zinc/78/79/86/154787986.db2.gz XVEHVLZGHWVFTA-UHFFFAOYSA-N 0 0 344.758 3.316 10 5 EGBERN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000374929048 286463584 /nfs/dbraw/zinc/46/35/84/286463584.db2.gz OYESCPCWEGWDJP-PXAZEXFGSA-N 0 0 341.367 3.222 10 5 EGBERN C[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000345369504 156071996 /nfs/dbraw/zinc/07/19/96/156071996.db2.gz MYPIZWFNECVCBN-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000346973356 156224183 /nfs/dbraw/zinc/22/41/83/156224183.db2.gz DHHWWOSIJNHROW-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3cn(-c4ccccc4)nn3)c2)c1 ZINC000349160659 156371521 /nfs/dbraw/zinc/37/15/21/156371521.db2.gz RAMQLPGBXVLNPK-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000365243719 157100674 /nfs/dbraw/zinc/10/06/74/157100674.db2.gz CAKRDFDBPXJGLO-QGZVFWFLSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000094161414 162041172 /nfs/dbraw/zinc/04/11/72/162041172.db2.gz LPWNHJQMHHZXSY-UHFFFAOYSA-N 0 0 342.399 3.263 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2cccc3cccnc32)no1 ZINC000109519462 162103520 /nfs/dbraw/zinc/10/35/20/162103520.db2.gz JAPNQYGKMNPNCS-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000110378527 162126508 /nfs/dbraw/zinc/12/65/08/162126508.db2.gz MUHQZCZRBKVZKQ-OAHLLOKOSA-N 0 0 340.379 3.453 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000114499689 162235738 /nfs/dbraw/zinc/23/57/38/162235738.db2.gz LSLMYSFCQCKGEN-INIZCTEOSA-N 0 0 336.413 3.106 10 5 EGBERN CCNc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000121638129 162244968 /nfs/dbraw/zinc/24/49/68/162244968.db2.gz FAXFCSGNODAEDP-UHFFFAOYSA-N 0 0 335.404 3.056 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NC3CC(c4ccccc4)C3)cc2N1 ZINC000130571753 162371913 /nfs/dbraw/zinc/37/19/13/162371913.db2.gz SFQMFNJDVMTNSK-UHFFFAOYSA-N 0 0 339.351 3.284 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000181066245 162773060 /nfs/dbraw/zinc/77/30/60/162773060.db2.gz FTCSZTSXLQEGJM-OAHLLOKOSA-N 0 0 345.330 3.081 10 5 EGBERN CC[C@@H](c1ccncc1)N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342359306 286972704 /nfs/dbraw/zinc/97/27/04/286972704.db2.gz LPURZOUBIRBYMM-AWEZNQCLSA-N 0 0 344.371 3.067 10 5 EGBERN C[C@H](NC(=O)c1cc2ccccc2c(=O)o1)c1ccccc1[N+](=O)[O-] ZINC000337117672 163132865 /nfs/dbraw/zinc/13/28/65/163132865.db2.gz ARIDSCZVQSKGMM-NSHDSACASA-N 0 0 338.319 3.192 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338657595 163308865 /nfs/dbraw/zinc/30/88/65/163308865.db2.gz VPPAQFBXBSWWHX-WBVHZDCISA-N 0 0 349.431 3.286 10 5 EGBERN Cc1cc(NCC[C@H](C)[S@@](C)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338680690 163317586 /nfs/dbraw/zinc/31/75/86/163317586.db2.gz ISUDHYZFGNBUCC-GTUYJWLHSA-N 0 0 338.351 3.491 10 5 EGBERN COc1ccc(CNC(=O)CSc2ccccc2C)cc1[N+](=O)[O-] ZINC000340389828 163567441 /nfs/dbraw/zinc/56/74/41/163567441.db2.gz CGMCVPOWMVNKPR-UHFFFAOYSA-N 0 0 346.408 3.320 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nccs2)c1 ZINC000343748498 164025528 /nfs/dbraw/zinc/02/55/28/164025528.db2.gz ZRTHJLVQBXAZSO-SNVBAGLBSA-N 0 0 335.385 3.078 10 5 EGBERN COc1ccc(OC)c(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000343823978 164044084 /nfs/dbraw/zinc/04/40/84/164044084.db2.gz JJYNBRMHNAEERZ-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN CCc1nc(C)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000344083217 164099685 /nfs/dbraw/zinc/09/96/85/164099685.db2.gz XXIWHMMXFNRYHX-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CN(C(=O)CO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000344215635 164128459 /nfs/dbraw/zinc/12/84/59/164128459.db2.gz NVMBRLJKOADPTR-MRXNPFEDSA-N 0 0 341.367 3.047 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3c(Cl)cccc3Cl)no2)n1 ZINC000354813030 166038819 /nfs/dbraw/zinc/03/88/19/166038819.db2.gz XVZLPJUEOAXENP-UHFFFAOYSA-N 0 0 340.126 3.352 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)Cn2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000344277471 164144906 /nfs/dbraw/zinc/14/49/06/164144906.db2.gz SXVGPEPAGMEHAG-UHFFFAOYSA-N 0 0 336.779 3.381 10 5 EGBERN Cc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)n1 ZINC000344419340 164174808 /nfs/dbraw/zinc/17/48/08/164174808.db2.gz MMHOBROSLYQGGZ-UHFFFAOYSA-N 0 0 328.284 3.053 10 5 EGBERN O=c1ccn(CCOc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000345610968 164226478 /nfs/dbraw/zinc/22/64/78/164226478.db2.gz LVRYRZAADKWSJF-UHFFFAOYSA-N 0 0 329.139 3.142 10 5 EGBERN O=C(Cc1ccccc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345639424 164232074 /nfs/dbraw/zinc/23/20/74/164232074.db2.gz XFXBNJURBVYSRJ-KRWDZBQOSA-N 0 0 328.393 3.412 10 5 EGBERN Nc1ccc(-c2noc(Cc3cnc4ccccc4c3)n2)cc1[N+](=O)[O-] ZINC000345666840 164238009 /nfs/dbraw/zinc/23/80/09/164238009.db2.gz OWTURXQTXIJVQS-UHFFFAOYSA-N 0 0 347.334 3.366 10 5 EGBERN COCc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000345690556 164243949 /nfs/dbraw/zinc/24/39/49/164243949.db2.gz UCHQQMQVNXMFOR-INIZCTEOSA-N 0 0 348.380 3.222 10 5 EGBERN Cc1c(CNC(=O)NCC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000346076682 164331289 /nfs/dbraw/zinc/33/12/89/164331289.db2.gz JZQHKOVIBOLEQR-UHFFFAOYSA-N 0 0 331.294 3.045 10 5 EGBERN CCc1nc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(C)o1 ZINC000346393700 164379568 /nfs/dbraw/zinc/37/95/68/164379568.db2.gz BFZOJSUUSVNIOD-UHFFFAOYSA-N 0 0 343.343 3.158 10 5 EGBERN COc1cc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000346405013 164381560 /nfs/dbraw/zinc/38/15/60/164381560.db2.gz RRRYXOAXZGJXLF-UHFFFAOYSA-N 0 0 337.763 3.297 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc([C@@H]2CCCOC2)c1 ZINC000346510039 164389457 /nfs/dbraw/zinc/38/94/57/164389457.db2.gz OBPUYMVWYUVTBA-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354934610 166067740 /nfs/dbraw/zinc/06/77/40/166067740.db2.gz LDKIVWNYGZEKRB-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC(=O)N(C)c1ccccc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349729362 164921045 /nfs/dbraw/zinc/92/10/45/164921045.db2.gz JAKYNXVZJYETOZ-UHFFFAOYSA-N 0 0 335.310 3.468 10 5 EGBERN Cn1ccc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000350666609 165066417 /nfs/dbraw/zinc/06/64/17/165066417.db2.gz LQRIXKMOZCSIEJ-UHFFFAOYSA-N 0 0 330.369 3.417 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351642893 165110939 /nfs/dbraw/zinc/11/09/39/165110939.db2.gz HBCGOQSJYJFCGW-BXUZGUMPSA-N 0 0 349.412 3.059 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000352061028 165216151 /nfs/dbraw/zinc/21/61/51/165216151.db2.gz NDGNPTCYJXYUAO-INIZCTEOSA-N 0 0 331.324 3.034 10 5 EGBERN CNc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000352216803 165290272 /nfs/dbraw/zinc/29/02/72/165290272.db2.gz LFLKXBPAZHYCMQ-PSASIEDQSA-N 0 0 331.294 3.049 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352229962 165298130 /nfs/dbraw/zinc/29/81/30/165298130.db2.gz WHMMNWSTPHJLIS-PRHODGIISA-N 0 0 341.289 3.489 10 5 EGBERN Cn1cc([C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000352437116 165403559 /nfs/dbraw/zinc/40/35/59/165403559.db2.gz CXABBRWEFROYOX-KRWDZBQOSA-N 0 0 344.415 3.165 10 5 EGBERN Cc1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000355175935 166124384 /nfs/dbraw/zinc/12/43/84/166124384.db2.gz KETLKRKKVIOVOF-KPZWWZAWSA-N 0 0 334.416 3.210 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355216579 166136988 /nfs/dbraw/zinc/13/69/88/166136988.db2.gz BCKBGQWCOTWCFX-PXAZEXFGSA-N 0 0 345.399 3.137 10 5 EGBERN COc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000355312257 166161495 /nfs/dbraw/zinc/16/14/95/166161495.db2.gz RTSFOYAVZSYQFL-UHFFFAOYSA-N 0 0 346.408 3.435 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc[nH]n1 ZINC000355502712 166224059 /nfs/dbraw/zinc/22/40/59/166224059.db2.gz IREDUEIEFYZAFY-UHFFFAOYSA-N 0 0 334.401 3.092 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000355907070 166344142 /nfs/dbraw/zinc/34/41/42/166344142.db2.gz WNOHSPDDEJBQDG-BJJXKVORSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000355941956 166355148 /nfs/dbraw/zinc/35/51/48/166355148.db2.gz NSALOOQUPWAPAP-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1cc(C)n([C@@H](C)c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)n1 ZINC000355979906 166365770 /nfs/dbraw/zinc/36/57/70/166365770.db2.gz JNXCHIAJQYWXSK-LBPRGKRZSA-N 0 0 327.344 3.376 10 5 EGBERN COc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)ccc1C ZINC000355994624 166369950 /nfs/dbraw/zinc/36/99/50/166369950.db2.gz WNHXTLMSFUBYFE-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CC(C)Cn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cn1 ZINC000358906595 167000174 /nfs/dbraw/zinc/00/01/74/167000174.db2.gz OJMFSHOHCYWEBH-LBPRGKRZSA-N 0 0 328.372 3.039 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1F ZINC000358909325 167002367 /nfs/dbraw/zinc/00/23/67/167002367.db2.gz XFQHJKIUOFOSRL-UHFFFAOYSA-N 0 0 328.343 3.470 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000359081669 167061301 /nfs/dbraw/zinc/06/13/01/167061301.db2.gz KEPLSFQJPGMTMV-AWEZNQCLSA-N 0 0 340.383 3.103 10 5 EGBERN CC[C@@H](NC(=O)C(=O)c1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000359098646 167066775 /nfs/dbraw/zinc/06/67/75/167066775.db2.gz ATGGYWCZHSNEFT-MRXNPFEDSA-N 0 0 344.342 3.493 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000359152754 167082731 /nfs/dbraw/zinc/08/27/31/167082731.db2.gz ZEMJSHQUTQMAKA-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000359221698 167099544 /nfs/dbraw/zinc/09/95/44/167099544.db2.gz XLMXRLJQVWBPRN-GFCCVEGCSA-N 0 0 327.331 3.280 10 5 EGBERN O=C(Nc1nc(C2CC2)c[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359372480 167138831 /nfs/dbraw/zinc/13/88/31/167138831.db2.gz WAAODGGKXUUPSK-UHFFFAOYSA-N 0 0 338.270 3.049 10 5 EGBERN CCOc1ccc(C(=O)N(C)C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000359475355 167167465 /nfs/dbraw/zinc/16/74/65/167167465.db2.gz RZNVVQYVKVYGPF-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541412 167185806 /nfs/dbraw/zinc/18/58/06/167185806.db2.gz DITJWBLLNKDQRQ-KDOFPFPSSA-N 0 0 331.416 3.070 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000359546889 167187367 /nfs/dbraw/zinc/18/73/67/167187367.db2.gz MRAYKPFBFTZHDU-LBPRGKRZSA-N 0 0 333.310 3.289 10 5 EGBERN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cncc(F)c1 ZINC000359556077 167191996 /nfs/dbraw/zinc/19/19/96/167191996.db2.gz UXQJACZRGQHZFD-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN COc1ccc(NC(=O)CN2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561192 167194508 /nfs/dbraw/zinc/19/45/08/167194508.db2.gz QVANPTBQJIEHDI-FZKQIMNGSA-N 0 0 347.415 3.054 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359585552 167200970 /nfs/dbraw/zinc/20/09/70/167200970.db2.gz MDUKKGXHQRWGQW-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN CC(C)(C)c1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000359726383 167215856 /nfs/dbraw/zinc/21/58/56/167215856.db2.gz IEWGVRMOKIRSPO-UHFFFAOYSA-N 0 0 340.426 3.323 10 5 EGBERN Cc1cc(N2CCC(C(=O)N3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359840457 167245600 /nfs/dbraw/zinc/24/56/00/167245600.db2.gz NNQIQKATNIKXQD-UHFFFAOYSA-N 0 0 349.406 3.271 10 5 EGBERN COc1cc2c(cc1F)ncnc2Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC000359870866 167253245 /nfs/dbraw/zinc/25/32/45/167253245.db2.gz GSZNSACOCHVQTJ-UHFFFAOYSA-N 0 0 345.286 3.487 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360694569 167390418 /nfs/dbraw/zinc/39/04/18/167390418.db2.gz YCYORCPVSRFGRT-HNNXBMFYSA-N 0 0 325.368 3.261 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000361061561 167504865 /nfs/dbraw/zinc/50/48/65/167504865.db2.gz IDLMSVDOXBUSNI-HNNXBMFYSA-N 0 0 348.378 3.145 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ccccn2)CC1 ZINC000365218026 168035697 /nfs/dbraw/zinc/03/56/97/168035697.db2.gz HBGQCQITJLGBGN-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000367557828 168242050 /nfs/dbraw/zinc/24/20/50/168242050.db2.gz UOKQVTSJLKZHJI-MAUKXSAKSA-N 0 0 340.379 3.411 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000367569157 168242957 /nfs/dbraw/zinc/24/29/57/168242957.db2.gz FVPLXMLIBJNNCU-DYVFJYSZSA-N 0 0 344.342 3.242 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000368063346 168305682 /nfs/dbraw/zinc/30/56/82/168305682.db2.gz QSIQGHCABGLOPT-MEDUHNTESA-N 0 0 333.344 3.155 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@]2(CCCOC2)C1 ZINC000408024417 304480250 /nfs/dbraw/zinc/48/02/50/304480250.db2.gz AOCABETXHGMXPZ-SFHVURJKSA-N 0 0 343.383 3.109 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000161350708 225610755 /nfs/dbraw/zinc/61/07/55/225610755.db2.gz MUEIWTLNPWSWDF-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000171831995 227305373 /nfs/dbraw/zinc/30/53/73/227305373.db2.gz MNVHSZAFZHAJEZ-HOTGVXAUSA-N 0 0 325.368 3.198 10 5 EGBERN COc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000175459319 265115729 /nfs/dbraw/zinc/11/57/29/265115729.db2.gz RCKJRPOKCNAKPI-NSHDSACASA-N 0 0 330.340 3.108 10 5 EGBERN CSCCCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176262055 265164671 /nfs/dbraw/zinc/16/46/71/265164671.db2.gz UOWLZFVCKOIUFJ-GFCCVEGCSA-N 0 0 325.434 3.407 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806012 265278581 /nfs/dbraw/zinc/27/85/81/265278581.db2.gz UDLDODJJJANVOU-QGZVFWFLSA-N 0 0 341.367 3.434 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C(C)C ZINC000179327839 265372518 /nfs/dbraw/zinc/37/25/18/265372518.db2.gz COUKJBHVQZMDPY-LBPRGKRZSA-N 0 0 340.445 3.355 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1Cl ZINC000179535319 265382024 /nfs/dbraw/zinc/38/20/24/265382024.db2.gz IJZYLIYERAOYSB-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000185800418 265502207 /nfs/dbraw/zinc/50/22/07/265502207.db2.gz RDKMPAXNRRHJPK-MRXNPFEDSA-N 0 0 336.413 3.106 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000187858485 265630741 /nfs/dbraw/zinc/63/07/41/265630741.db2.gz BGHNQAPMDXJVBO-RISCZKNCSA-N 0 0 338.429 3.204 10 5 EGBERN CO[C@@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000189854262 265799034 /nfs/dbraw/zinc/79/90/34/265799034.db2.gz CWOJEQOVPIJIOA-LBPRGKRZSA-N 0 0 329.356 3.103 10 5 EGBERN COc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1[N+](=O)[O-] ZINC000194519115 266124800 /nfs/dbraw/zinc/12/48/00/266124800.db2.gz ZCMMNMBAMKVLIN-LBPRGKRZSA-N 0 0 347.396 3.427 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000194741974 266142892 /nfs/dbraw/zinc/14/28/92/266142892.db2.gz XBWSYMAWJHNZMI-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cncc(Br)c1 ZINC000194956137 266149029 /nfs/dbraw/zinc/14/90/29/266149029.db2.gz IPDUSDOEJDLKHQ-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CCOc1ccc(OCC)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000195087445 266160240 /nfs/dbraw/zinc/16/02/40/266160240.db2.gz HUSCATHNNMHLQG-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1ccccc1F ZINC000195309119 266174636 /nfs/dbraw/zinc/17/46/36/266174636.db2.gz XGGYOOSGQAPHKB-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000216107540 266193303 /nfs/dbraw/zinc/19/33/03/266193303.db2.gz UQKZBPVMWONELX-SNVBAGLBSA-N 0 0 340.788 3.288 10 5 EGBERN Cc1sc(C(=O)NCc2nc3cccc(C)c3n2C)cc1[N+](=O)[O-] ZINC000269586848 266320951 /nfs/dbraw/zinc/32/09/51/266320951.db2.gz LWKYEMITPWUODH-UHFFFAOYSA-N 0 0 344.396 3.090 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273496517 267048902 /nfs/dbraw/zinc/04/89/02/267048902.db2.gz UHYPMJBYLAUOMP-UHFFFAOYSA-N 0 0 345.334 3.373 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000273768067 267103098 /nfs/dbraw/zinc/10/30/98/267103098.db2.gz XUALMHICCBTHGY-RNCFNFMXSA-N 0 0 349.416 3.266 10 5 EGBERN CN(C)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000273901290 267137116 /nfs/dbraw/zinc/13/71/16/267137116.db2.gz OCKZWURNSGDDER-UHFFFAOYSA-N 0 0 346.362 3.111 10 5 EGBERN CCOc1cccc(N2CCC[C@H](Cc3noc(C)n3)C2)c1[N+](=O)[O-] ZINC000273908287 267140281 /nfs/dbraw/zinc/14/02/81/267140281.db2.gz XHENAKNTKSTCAU-CYBMUJFWSA-N 0 0 346.387 3.144 10 5 EGBERN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274172609 267191384 /nfs/dbraw/zinc/19/13/84/267191384.db2.gz ISTHEKWOHVPGIW-BBRMVZONSA-N 0 0 342.399 3.018 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000274773169 267285313 /nfs/dbraw/zinc/28/53/13/267285313.db2.gz DFMDOCHPORZNCR-ZFWWWQNUSA-N 0 0 335.404 3.164 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000276601260 267583331 /nfs/dbraw/zinc/58/33/31/267583331.db2.gz RCKMIUABNWFZMG-VHSXEESVSA-N 0 0 347.293 3.309 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)cc1[N+](=O)[O-] ZINC000277361632 267770403 /nfs/dbraw/zinc/77/04/03/267770403.db2.gz BNTZEGONXHKNNG-AEIGPULVSA-N 0 0 343.383 3.027 10 5 EGBERN CCOC[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277935280 267906336 /nfs/dbraw/zinc/90/63/36/267906336.db2.gz IFQNXRFCCJGSII-NSHDSACASA-N 0 0 326.780 3.055 10 5 EGBERN CO[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000278271774 267976677 /nfs/dbraw/zinc/97/66/77/267976677.db2.gz FIAPZMDYRVASHR-RNCFNFMXSA-N 0 0 326.780 3.054 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCOC4(CCSCC4)C3)nc2c1 ZINC000278497949 268025843 /nfs/dbraw/zinc/02/58/43/268025843.db2.gz QELUNHZRNRYFCZ-LLVKDONJSA-N 0 0 348.428 3.328 10 5 EGBERN CC(C)OC(=O)C[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278529066 268032097 /nfs/dbraw/zinc/03/20/97/268032097.db2.gz TZVZQKDUPOQSPE-LBPRGKRZSA-N 0 0 346.387 3.029 10 5 EGBERN C[C@@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000342284105 274245377 /nfs/dbraw/zinc/24/53/77/274245377.db2.gz QXASAYQFSXXERY-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN O=C1[C@@H](N2CCC[C@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246858623 275027597 /nfs/dbraw/zinc/02/75/97/275027597.db2.gz DVQCGHQEHKHDLJ-HOTGVXAUSA-N 0 0 341.367 3.130 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106547880 275169081 /nfs/dbraw/zinc/16/90/81/275169081.db2.gz BNGQBVXUKNWRNZ-MRXNPFEDSA-N 0 0 335.404 3.086 10 5 EGBERN COC(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000109617316 275178839 /nfs/dbraw/zinc/17/88/39/275178839.db2.gz CJLFNXXCVZSXNH-UHFFFAOYSA-N 0 0 345.336 3.468 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110450442 275180888 /nfs/dbraw/zinc/18/08/88/275180888.db2.gz ZABZUTPCYXIFLP-ZFWWWQNUSA-N 0 0 326.352 3.137 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NCC1CCCCC1 ZINC000184975761 275214293 /nfs/dbraw/zinc/21/42/93/275214293.db2.gz YFSOMFIFDMPIOD-UHFFFAOYSA-N 0 0 343.383 3.218 10 5 EGBERN Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184981297 275214332 /nfs/dbraw/zinc/21/43/32/275214332.db2.gz XAHJBJJHNOCDDH-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194836335 275227596 /nfs/dbraw/zinc/22/75/96/275227596.db2.gz MHENJRZKVBTPMI-FZMZJTMJSA-N 0 0 343.383 3.317 10 5 EGBERN CCCOc1cc(NC(=O)CSC)c([N+](=O)[O-])cc1OCCC ZINC000279624054 275344963 /nfs/dbraw/zinc/34/49/63/275344963.db2.gz UBOLZHVJGCNETQ-UHFFFAOYSA-N 0 0 342.417 3.474 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000371864910 275399756 /nfs/dbraw/zinc/39/97/56/275399756.db2.gz PNXXDGYAEJJVPK-JGJWRRPTSA-N 0 0 342.395 3.358 10 5 EGBERN CS[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280726929 275487988 /nfs/dbraw/zinc/48/79/88/275487988.db2.gz NQZQDWQJKMNYAK-SSDOTTSWSA-N 0 0 333.207 3.356 10 5 EGBERN Cc1cnc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000281751602 275573257 /nfs/dbraw/zinc/57/32/57/275573257.db2.gz BZQKTRKSKWZQDT-CQSZACIVSA-N 0 0 341.415 3.215 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC=C(Br)C1 ZINC000282414951 275632042 /nfs/dbraw/zinc/63/20/42/275632042.db2.gz YAOLKZUHATYPNZ-UHFFFAOYSA-N 0 0 339.189 3.039 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC=C(Br)C2)s1 ZINC000286491930 276007645 /nfs/dbraw/zinc/00/76/45/276007645.db2.gz PTYCNMIJJZZVCN-UHFFFAOYSA-N 0 0 341.190 3.088 10 5 EGBERN COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570718 276017883 /nfs/dbraw/zinc/01/78/83/276017883.db2.gz POPWHXZFOKIQQU-YGRLFVJLSA-N 0 0 346.305 3.083 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1(CCO)CCCC1 ZINC000286820584 276046714 /nfs/dbraw/zinc/04/67/14/276046714.db2.gz CDKTUDAZUNAFTO-UHFFFAOYSA-N 0 0 327.768 3.065 10 5 EGBERN CCOc1cc(NC(=O)Nc2n[nH]cc2C)c([N+](=O)[O-])cc1OCC ZINC000287023406 276072545 /nfs/dbraw/zinc/07/25/45/276072545.db2.gz LGDDIBAFRSCQFT-UHFFFAOYSA-N 0 0 349.347 3.068 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@@H](c3ccsc3)C2)s1 ZINC000287869230 276165464 /nfs/dbraw/zinc/16/54/64/276165464.db2.gz NINHQOQDNTZPNS-LLVKDONJSA-N 0 0 348.409 3.239 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(c2ccccc2)CC1 ZINC000288086290 276181715 /nfs/dbraw/zinc/18/17/15/276181715.db2.gz IHLRZSYQSVMOAQ-UHFFFAOYSA-N 0 0 329.404 3.201 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289618800 276367161 /nfs/dbraw/zinc/36/71/61/276367161.db2.gz JQWPQQLVKGKWAG-JTQLQIEISA-N 0 0 329.784 3.119 10 5 EGBERN CC[C@@H](NC(=O)NC[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291390569 276637412 /nfs/dbraw/zinc/63/74/12/276637412.db2.gz CQOKKJWHWYYXTN-WBVHZDCISA-N 0 0 335.404 3.160 10 5 EGBERN CCOC(=O)c1cc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000291802284 276693273 /nfs/dbraw/zinc/69/32/73/276693273.db2.gz DVDJGHYXKQSUCP-HIFRSBDPSA-N 0 0 340.326 3.253 10 5 EGBERN COC[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184306969 277262823 /nfs/dbraw/zinc/26/28/23/277262823.db2.gz FUVKMSLDODAVRM-HNNXBMFYSA-N 0 0 334.347 3.220 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1cn[nH]c1 ZINC000362358935 278319670 /nfs/dbraw/zinc/31/96/70/278319670.db2.gz LIUGSHGZTXVPTP-SNVBAGLBSA-N 0 0 327.319 3.114 10 5 EGBERN CC(C)C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000126093501 279021568 /nfs/dbraw/zinc/02/15/68/279021568.db2.gz QLQUVLRCTCQJCV-ZDUSSCGKSA-N 0 0 340.445 3.403 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000355291067 280023126 /nfs/dbraw/zinc/02/31/26/280023126.db2.gz MGPLCFIPAQUQSP-MEDUHNTESA-N 0 0 336.347 3.243 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128327044 280355153 /nfs/dbraw/zinc/35/51/53/280355153.db2.gz BOWWONOYFOJTCC-ACJLOTCBSA-N 0 0 327.384 3.274 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](C)C2 ZINC000183614082 281111238 /nfs/dbraw/zinc/11/12/38/281111238.db2.gz OEKUMWKBYOVBES-BDJLRTHQSA-N 0 0 326.356 3.353 10 5 EGBERN CC[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373645712 288300115 /nfs/dbraw/zinc/30/01/15/288300115.db2.gz UABLMSLHGYJWIL-WFASDCNBSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000189128299 281137106 /nfs/dbraw/zinc/13/71/06/281137106.db2.gz OQDQVJYJOPFIFQ-UHFFFAOYSA-N 0 0 341.367 3.263 10 5 EGBERN C[C@@]1(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCCO1 ZINC000124096183 289125397 /nfs/dbraw/zinc/12/53/97/289125397.db2.gz WDIZUNSLFNOIDS-AWEZNQCLSA-N 0 0 346.305 3.055 10 5 EGBERN Cn1c(-c2ccoc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000349761540 294135178 /nfs/dbraw/zinc/13/51/78/294135178.db2.gz YIDFILCXWMOGMC-UHFFFAOYSA-N 0 0 339.355 3.152 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(c1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000367928206 297495453 /nfs/dbraw/zinc/49/54/53/297495453.db2.gz RLPLUWBZIJUAKC-BFQNTYOBSA-N 0 0 340.807 3.411 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n1 ZINC000408173253 301203455 /nfs/dbraw/zinc/20/34/55/301203455.db2.gz IMNFJFDBVOOJJE-MSQAHXEGSA-N 0 0 333.432 3.373 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413572531 309037952 /nfs/dbraw/zinc/03/79/52/309037952.db2.gz KFSIWGOZLVNAEB-BXUZGUMPSA-N 0 0 336.388 3.140 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCn1ccc2ccccc21 ZINC000052894509 307334047 /nfs/dbraw/zinc/33/40/47/307334047.db2.gz GQFSGXZMUUAPMR-UHFFFAOYSA-N 0 0 338.367 3.073 10 5 EGBERN CC(C)COC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054322452 307337604 /nfs/dbraw/zinc/33/76/04/307337604.db2.gz PJXRNVWMBGNFSB-CQSZACIVSA-N 0 0 349.431 3.059 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000089835664 307453750 /nfs/dbraw/zinc/45/37/50/307453750.db2.gz KACUYIPGUGTIGM-GOEBONIOSA-N 0 0 346.333 3.335 10 5 EGBERN Cc1ccccc1SCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089835167 307453759 /nfs/dbraw/zinc/45/37/59/307453759.db2.gz XUQUQISMRGCICH-UHFFFAOYSA-N 0 0 330.409 3.354 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(F)c1F ZINC000123297318 307537781 /nfs/dbraw/zinc/53/77/81/307537781.db2.gz KTWLJUGDINRFKS-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000126998210 307577597 /nfs/dbraw/zinc/57/75/97/307577597.db2.gz XPTUEKBXICBKTD-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2cccc(F)c2C1 ZINC000132601392 307660268 /nfs/dbraw/zinc/66/02/68/307660268.db2.gz SOYNRZQEOKHZIM-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000151786240 307739032 /nfs/dbraw/zinc/73/90/32/307739032.db2.gz RBMUZIHXHUQHBV-UHFFFAOYSA-N 0 0 344.415 3.254 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155106732 307807606 /nfs/dbraw/zinc/80/76/06/307807606.db2.gz AWNHCZVXJPWVGM-LLVKDONJSA-N 0 0 347.346 3.032 10 5 EGBERN CCC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000156579388 307835089 /nfs/dbraw/zinc/83/50/89/307835089.db2.gz ICAZHBBRFHKSJQ-CYBMUJFWSA-N 0 0 338.404 3.203 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)c(Cl)c1 ZINC000160313506 307887956 /nfs/dbraw/zinc/88/79/56/307887956.db2.gz PGOCFWXNQBMOIS-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN COc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000160418715 307889712 /nfs/dbraw/zinc/88/97/12/307889712.db2.gz DVXKVYOYBNXKPK-LBPRGKRZSA-N 0 0 344.367 3.012 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000163801073 307924639 /nfs/dbraw/zinc/92/46/39/307924639.db2.gz NHWLOBGLTIUPAH-CQSZACIVSA-N 0 0 342.399 3.160 10 5 EGBERN CCC[C@@H]1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000245689582 307956473 /nfs/dbraw/zinc/95/64/73/307956473.db2.gz KDKGADIGUMYXOW-DVOMOZLQSA-N 0 0 332.400 3.468 10 5 EGBERN COCCC1(C)CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000292961483 308084330 /nfs/dbraw/zinc/08/43/30/308084330.db2.gz HWDYBFRCCQRTRH-UHFFFAOYSA-N 0 0 334.416 3.391 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000293233120 308111748 /nfs/dbraw/zinc/11/17/48/308111748.db2.gz ZZXJRNLAQCZUFD-INIZCTEOSA-N 0 0 329.400 3.111 10 5 EGBERN COc1ccccc1C[C@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294638267 308240695 /nfs/dbraw/zinc/24/06/95/308240695.db2.gz GOLCTJZKYONKOA-OAHLLOKOSA-N 0 0 334.416 3.064 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297577415 308547438 /nfs/dbraw/zinc/54/74/38/308547438.db2.gz LSJUHGYBVZPBLP-RCBQFDQVSA-N 0 0 349.431 3.094 10 5 EGBERN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000301128629 308689204 /nfs/dbraw/zinc/68/92/04/308689204.db2.gz PSOCPAAZZKOAFE-UHFFFAOYSA-N 0 0 333.775 3.480 10 5 EGBERN C[C@H](CCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301130496 308689231 /nfs/dbraw/zinc/68/92/31/308689231.db2.gz UEJXOSPTRPVOHF-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000301160822 308690228 /nfs/dbraw/zinc/69/02/28/308690228.db2.gz HHAIGRVUWFAEEI-LLVKDONJSA-N 0 0 329.331 3.124 10 5 EGBERN CN(Cc1nc2ccccc2n1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301336125 308696883 /nfs/dbraw/zinc/69/68/83/308696883.db2.gz DCZRKGBGIREWOK-UHFFFAOYSA-N 0 0 331.763 3.166 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)c1 ZINC000301342832 308697120 /nfs/dbraw/zinc/69/71/20/308697120.db2.gz JFWKVZJIEDLDEP-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000301451155 308700869 /nfs/dbraw/zinc/70/08/69/308700869.db2.gz QEIMEEDVGVWHEQ-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000301488845 308702370 /nfs/dbraw/zinc/70/23/70/308702370.db2.gz JYWLJKXYLYJKLP-LLVKDONJSA-N 0 0 333.413 3.083 10 5 EGBERN Cc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Br)o1 ZINC000301490219 308702416 /nfs/dbraw/zinc/70/24/16/308702416.db2.gz AOIWWQWXIHEQKM-UHFFFAOYSA-N 0 0 326.150 3.290 10 5 EGBERN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)C ZINC000301537912 308704287 /nfs/dbraw/zinc/70/42/87/308704287.db2.gz BARHCXOBYPXDQT-NSHDSACASA-N 0 0 330.388 3.406 10 5 EGBERN C[C@@H]1CN(C)c2ccccc2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301550181 308704746 /nfs/dbraw/zinc/70/47/46/308704746.db2.gz GNSUMCWMXYEXKK-GFCCVEGCSA-N 0 0 342.355 3.348 10 5 EGBERN Cc1ccnc(N[C@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000301611749 308707274 /nfs/dbraw/zinc/70/72/74/308707274.db2.gz DYHRSQWDKNYCSV-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN CO[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301754399 308713913 /nfs/dbraw/zinc/71/39/13/308713913.db2.gz CNKUQFCZPGZDNZ-PSASIEDQSA-N 0 0 330.182 3.122 10 5 EGBERN CC(C)c1ccccc1OCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301963424 308723322 /nfs/dbraw/zinc/72/33/22/308723322.db2.gz JALCXDWUSLARRX-UHFFFAOYSA-N 0 0 341.371 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000302040353 308726557 /nfs/dbraw/zinc/72/65/57/308726557.db2.gz NKPVUDRDXOSWKF-CYBMUJFWSA-N 0 0 349.337 3.056 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2sc(C)nc2C)c1 ZINC000302080639 308728448 /nfs/dbraw/zinc/72/84/48/308728448.db2.gz IXYPEBYUICZAAA-UHFFFAOYSA-N 0 0 335.385 3.109 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000302768836 308744774 /nfs/dbraw/zinc/74/47/74/308744774.db2.gz MHXNMXDPESDUSS-CHWSQXEVSA-N 0 0 347.758 3.398 10 5 EGBERN C[C@@H](CC(F)(F)F)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000410445132 308917208 /nfs/dbraw/zinc/91/72/08/308917208.db2.gz JFOFGTASVSOWKI-VIFPVBQESA-N 0 0 342.277 3.308 10 5 EGBERN COCC(C)(C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000412383957 308983969 /nfs/dbraw/zinc/98/39/69/308983969.db2.gz ZOMPRJKKPZEBPZ-OAHLLOKOSA-N 0 0 334.416 3.364 10 5 EGBERN COC(=O)CCCCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413029896 309012454 /nfs/dbraw/zinc/01/24/54/309012454.db2.gz TUDTUEMETLKLCR-UHFFFAOYSA-N 0 0 335.282 3.154 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000413321474 309026737 /nfs/dbraw/zinc/02/67/37/309026737.db2.gz QVRNARUANKGHTE-ZDUSSCGKSA-N 0 0 331.294 3.016 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCc2ccccc2O1 ZINC000414864005 309106324 /nfs/dbraw/zinc/10/63/24/309106324.db2.gz CJYDJRUTIXHJTF-KZULUSFZSA-N 0 0 338.363 3.266 10 5 EGBERN Cc1ncsc1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000414873872 309106738 /nfs/dbraw/zinc/10/67/38/309106738.db2.gz RWYTYPKYKCEEBA-JTQLQIEISA-N 0 0 331.397 3.270 10 5 EGBERN C[C@H]1C[C@H]1N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000415909719 309147845 /nfs/dbraw/zinc/14/78/45/309147845.db2.gz XXMQQNJYZUNHMC-XJKSGUPXSA-N 0 0 326.352 3.415 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000455034143 310341455 /nfs/dbraw/zinc/34/14/55/310341455.db2.gz FQOGMLOHSUHSQB-LBPRGKRZSA-N 0 0 346.774 3.087 10 5 EGBERN CCCNC(=O)CCCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000417038914 309190710 /nfs/dbraw/zinc/19/07/10/309190710.db2.gz WLXBBPSJNCQLGF-UHFFFAOYSA-N 0 0 344.209 3.076 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1nnc3ccccn31)CCCC2 ZINC000417346223 309202436 /nfs/dbraw/zinc/20/24/36/309202436.db2.gz UAIVTMCGFSHYHR-INIZCTEOSA-N 0 0 337.383 3.195 10 5 EGBERN CCc1ccc([C@@H](N[C@H]2C[C@@](C)(O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000417399957 309204454 /nfs/dbraw/zinc/20/44/54/309204454.db2.gz IYOSVEZRRNIGFT-DOPJRALCSA-N 0 0 330.384 3.343 10 5 EGBERN COc1ccc(CSCc2cn(CC3CC3)nn2)cc1[N+](=O)[O-] ZINC000419576375 309269764 /nfs/dbraw/zinc/26/97/64/309269764.db2.gz XHWBUNMDEGLLBE-UHFFFAOYSA-N 0 0 334.401 3.038 10 5 EGBERN CC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000420620997 309290559 /nfs/dbraw/zinc/29/05/59/309290559.db2.gz RHXHHHAALGHKMQ-CABCVRRESA-N 0 0 327.384 3.448 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000421257704 309317528 /nfs/dbraw/zinc/31/75/28/309317528.db2.gz HYAYOZCCEYELAV-TUAOUCFPSA-N 0 0 329.356 3.481 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000421674244 309334111 /nfs/dbraw/zinc/33/41/11/309334111.db2.gz ZVFWELDAPPLQFA-RYUDHWBXSA-N 0 0 326.780 3.244 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)n1 ZINC000421695021 309335067 /nfs/dbraw/zinc/33/50/67/309335067.db2.gz WNRQNCLLWOXEJO-NSHDSACASA-N 0 0 336.417 3.485 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCc1nc(C(C)C)no1 ZINC000421755796 309338576 /nfs/dbraw/zinc/33/85/76/309338576.db2.gz HNEBTTQAIXXUST-UHFFFAOYSA-N 0 0 346.387 3.081 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@@H](CC)O[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000421959074 309348104 /nfs/dbraw/zinc/34/81/04/309348104.db2.gz SGVPBBRSJHIHTB-OKILXGFUSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CCO)CC1 ZINC000422069003 309353878 /nfs/dbraw/zinc/35/38/78/309353878.db2.gz HPGCJPOVEFGMPF-GFCCVEGCSA-N 0 0 340.807 3.181 10 5 EGBERN Cc1c(CC(=O)N[C@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000424999704 309461447 /nfs/dbraw/zinc/46/14/47/309461447.db2.gz LGAUJWVZMLCMPM-WMZOPIPTSA-N 0 0 328.343 3.199 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000425253784 309470166 /nfs/dbraw/zinc/47/01/66/309470166.db2.gz LORCRUHJCCVCRG-GFCCVEGCSA-N 0 0 342.355 3.052 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425558596 309486244 /nfs/dbraw/zinc/48/62/44/309486244.db2.gz FLTKOGJIJSVQOG-NWDGAFQWSA-N 0 0 331.347 3.340 10 5 EGBERN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCOC(C)(C)C1 ZINC000426682441 309512615 /nfs/dbraw/zinc/51/26/15/309512615.db2.gz IORFUTRVHRQLGL-ZDUSSCGKSA-N 0 0 345.399 3.496 10 5 EGBERN Cc1cc(NC(=O)N2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000455079080 310343620 /nfs/dbraw/zinc/34/36/20/310343620.db2.gz BROXTUBGCUTPHN-OAHLLOKOSA-N 0 0 333.388 3.326 10 5 EGBERN COC(=O)c1cc(N2CCSC(C)(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000432926368 309673462 /nfs/dbraw/zinc/67/34/62/309673462.db2.gz FZXSPTZGMGVBFU-UHFFFAOYSA-N 0 0 338.429 3.412 10 5 EGBERN Cc1cc(Br)ccc1CN(C)c1ncc([N+](=O)[O-])cn1 ZINC000433792222 309696475 /nfs/dbraw/zinc/69/64/75/309696475.db2.gz HAXFJQYYFKBPEJ-UHFFFAOYSA-N 0 0 337.177 3.092 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000433990439 309701962 /nfs/dbraw/zinc/70/19/62/309701962.db2.gz OJCQLIGAIHRVSC-SNVBAGLBSA-N 0 0 345.321 3.441 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434330305 309708958 /nfs/dbraw/zinc/70/89/58/309708958.db2.gz LHQWFSXYUVGAGI-UHFFFAOYSA-N 0 0 345.399 3.090 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000436220627 309749851 /nfs/dbraw/zinc/74/98/51/309749851.db2.gz OCIHDHMRXCNJSH-OLZOCXBDSA-N 0 0 336.436 3.394 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C(C)=O)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000436653165 309766832 /nfs/dbraw/zinc/76/68/32/309766832.db2.gz AJFXIYFWFRHGRR-MRXNPFEDSA-N 0 0 342.351 3.384 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438142387 309807944 /nfs/dbraw/zinc/80/79/44/309807944.db2.gz NCDALGCCFBSQMC-VGTOOOLASA-N 0 0 344.342 3.417 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439305162 309830952 /nfs/dbraw/zinc/83/09/52/309830952.db2.gz PPWWNKPEEPHDTI-ZIAGYGMSSA-N 0 0 333.388 3.184 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441474561 309873039 /nfs/dbraw/zinc/87/30/39/309873039.db2.gz QXGWVZKKDJLWMU-CMPLNLGQSA-N 0 0 326.780 3.196 10 5 EGBERN CCCC[C@H](CCC)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443768422 309907849 /nfs/dbraw/zinc/90/78/49/309907849.db2.gz FLMMMGVLNWYABX-AWEZNQCLSA-N 0 0 328.434 3.373 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)c1 ZINC000445503542 309942485 /nfs/dbraw/zinc/94/24/85/309942485.db2.gz MTTQAYVMZBZBAV-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1ccc([N+](=O)[O-])s1 ZINC000448489259 310004589 /nfs/dbraw/zinc/00/45/89/310004589.db2.gz GQZOIVKXEYABND-UHFFFAOYSA-N 0 0 333.300 3.125 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1Cc2cccc(C)c2O1)c1cccc([N+](=O)[O-])c1 ZINC000450052748 310100905 /nfs/dbraw/zinc/10/09/05/310100905.db2.gz MPMAFMJFPBJTEX-SJORKVTESA-N 0 0 340.379 3.474 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000450109593 310103935 /nfs/dbraw/zinc/10/39/35/310103935.db2.gz CELGYZTZHMTLBG-KBPBESRZSA-N 0 0 340.383 3.247 10 5 EGBERN CCc1noc(C)c1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450231292 310109918 /nfs/dbraw/zinc/10/99/18/310109918.db2.gz HZFPYSOVLAFGLN-UHFFFAOYSA-N 0 0 331.328 3.055 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)[C@H](OC)C1 ZINC000450466633 310124333 /nfs/dbraw/zinc/12/43/33/310124333.db2.gz BAFUOEUZIKVBBI-MEDUHNTESA-N 0 0 331.372 3.013 10 5 EGBERN Cc1cc(NCCc2csc(N)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000450518991 310127772 /nfs/dbraw/zinc/12/77/72/310127772.db2.gz LDNMDPYXXYIRNO-UHFFFAOYSA-N 0 0 346.334 3.446 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(C(C)C)n1 ZINC000450631944 310134036 /nfs/dbraw/zinc/13/40/36/310134036.db2.gz JDCNLZVDRGRHML-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450659259 310135732 /nfs/dbraw/zinc/13/57/32/310135732.db2.gz QBLRYJYROOLEPY-YOEHRIQHSA-N 0 0 334.322 3.038 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000450685431 310137244 /nfs/dbraw/zinc/13/72/44/310137244.db2.gz SKEXQNXIHZTJOC-RTXFEEFZSA-N 0 0 348.428 3.119 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cn(CC3CC3)nn2)c(C(F)(F)F)c1 ZINC000450825876 310144450 /nfs/dbraw/zinc/14/44/50/310144450.db2.gz ZCMSAOSKQNWRBV-UHFFFAOYSA-N 0 0 342.277 3.194 10 5 EGBERN COc1cc(N2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000450911544 310149214 /nfs/dbraw/zinc/14/92/14/310149214.db2.gz ZINJCUCRLUTKHE-OAHLLOKOSA-N 0 0 326.393 3.466 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3ccc(F)cc3F)nn21 ZINC000450912117 310149355 /nfs/dbraw/zinc/14/93/55/310149355.db2.gz LLZJUNPOWCLMFC-CYBMUJFWSA-N 0 0 345.309 3.257 10 5 EGBERN COC[C@@H]1CCCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450940608 310150925 /nfs/dbraw/zinc/15/09/25/310150925.db2.gz DSPXMPXPTGPBNZ-CYBMUJFWSA-N 0 0 345.399 3.405 10 5 EGBERN O=C(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCCC1 ZINC000451546320 310184892 /nfs/dbraw/zinc/18/48/92/310184892.db2.gz ISDUHQMHBGIGCZ-MRXNPFEDSA-N 0 0 345.443 3.223 10 5 EGBERN CCC(=O)C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000451765076 310196400 /nfs/dbraw/zinc/19/64/00/310196400.db2.gz UGIRCOAFZWMQCM-UHFFFAOYSA-N 0 0 341.161 3.055 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1CC(=O)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000452186544 310217422 /nfs/dbraw/zinc/21/74/22/310217422.db2.gz ZPAMVLJTAPCDQT-LBPRGKRZSA-N 0 0 338.363 3.144 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000452185835 310217430 /nfs/dbraw/zinc/21/74/30/310217430.db2.gz CGEDOXKGLYXENB-INIZCTEOSA-N 0 0 347.321 3.384 10 5 EGBERN O=C(NCCCC1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000452207007 310218589 /nfs/dbraw/zinc/21/85/89/310218589.db2.gz LWXDYDBOEZFUDE-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN C[C@@]12CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587897 310233411 /nfs/dbraw/zinc/23/34/11/310233411.db2.gz BBYKEEGQYUVHPX-DGFNZTNHSA-N 0 0 337.379 3.360 10 5 EGBERN COc1cc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000452598792 310234003 /nfs/dbraw/zinc/23/40/03/310234003.db2.gz SEMLUFJMDBBYIN-JUIVLLAYSA-N 0 0 342.395 3.196 10 5 EGBERN O=C(NC[C@@H]1CCOC2(CCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452735079 310239485 /nfs/dbraw/zinc/23/94/85/310239485.db2.gz SHMMAGIZAYPKLG-GFCCVEGCSA-N 0 0 343.383 3.155 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000452809575 310242967 /nfs/dbraw/zinc/24/29/67/310242967.db2.gz CSAJXVZGXYSNDH-LRDDRELGSA-N 0 0 345.399 3.257 10 5 EGBERN O=C(COc1ccsc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839229 310244687 /nfs/dbraw/zinc/24/46/87/310244687.db2.gz GBBURKSLRYIXPY-AWEZNQCLSA-N 0 0 346.408 3.441 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3CSc4ccccc43)no2)n1 ZINC000453233525 310265866 /nfs/dbraw/zinc/26/58/66/310265866.db2.gz WIPYFUWOPMKBBW-JTQLQIEISA-N 0 0 343.368 3.099 10 5 EGBERN Cc1cnc(CCCc2nc(-c3cccc([N+](=O)[O-])c3C)no2)o1 ZINC000453247774 310266704 /nfs/dbraw/zinc/26/67/04/310266704.db2.gz FCNFEFGVHUAEGG-UHFFFAOYSA-N 0 0 328.328 3.425 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2n[nH]c(C3CC3)n2)no1 ZINC000453276251 310268544 /nfs/dbraw/zinc/26/85/44/310268544.db2.gz GARHNWKRPQWVPS-CMDGGOBGSA-N 0 0 338.327 3.201 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454146853 310294528 /nfs/dbraw/zinc/29/45/28/310294528.db2.gz MZOUBZWEIONKAT-CJNGLKHVSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1nc([C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000455151800 310347439 /nfs/dbraw/zinc/34/74/39/310347439.db2.gz AEORDNAZQXHGHM-MRXNPFEDSA-N 0 0 345.359 3.042 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000455403892 310359091 /nfs/dbraw/zinc/35/90/91/310359091.db2.gz ASDBKCABKDPHAB-PBHICJAKSA-N 0 0 349.431 3.187 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000455418727 310359793 /nfs/dbraw/zinc/35/97/93/310359793.db2.gz QXLVKRZMWDFYID-HNNXBMFYSA-N 0 0 335.404 3.175 10 5 EGBERN C[C@@H](CCCO)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455424637 310360008 /nfs/dbraw/zinc/36/00/08/310360008.db2.gz XQNFGMBETXMDKW-LBPRGKRZSA-N 0 0 337.420 3.422 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000456098117 310388441 /nfs/dbraw/zinc/38/84/41/310388441.db2.gz YJLWBAZMQJQKSE-PSASIEDQSA-N 0 0 331.294 3.101 10 5 EGBERN COc1c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000456142089 310390373 /nfs/dbraw/zinc/39/03/73/310390373.db2.gz ZSCFAWWWEYXVPS-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN CCCc1ncc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000456522547 310410249 /nfs/dbraw/zinc/41/02/49/310410249.db2.gz QRQZGPIGHBPOCI-AWEZNQCLSA-N 0 0 345.399 3.420 10 5 EGBERN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000456586022 310413593 /nfs/dbraw/zinc/41/35/93/310413593.db2.gz AOAFVFUZOLUNNZ-INIZCTEOSA-N 0 0 343.358 3.435 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@]2(CCOC2)C1 ZINC000456747435 310420997 /nfs/dbraw/zinc/42/09/97/310420997.db2.gz ZZIBGXYXINEIEI-KRWDZBQOSA-N 0 0 346.408 3.452 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000456835622 310424586 /nfs/dbraw/zinc/42/45/86/310424586.db2.gz IWNAYPZNLACZQL-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000458295896 310496792 /nfs/dbraw/zinc/49/67/92/310496792.db2.gz YAZLKXBTHXAXFF-NSHDSACASA-N 0 0 331.347 3.141 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C)=C(C)C1 ZINC000460285044 310581656 /nfs/dbraw/zinc/58/16/56/310581656.db2.gz SGIWFCVPRAVPNM-UHFFFAOYSA-N 0 0 327.388 3.420 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000460869243 310586602 /nfs/dbraw/zinc/58/66/02/310586602.db2.gz NOHHQOJGXFKXER-AAEUAGOBSA-N 0 0 349.184 3.323 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000462609471 310602598 /nfs/dbraw/zinc/60/25/98/310602598.db2.gz BECQGLUFIIEWQW-SOLBZPMBSA-N 0 0 346.427 3.191 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NC1CCCCCC1 ZINC000471877274 310751626 /nfs/dbraw/zinc/75/16/26/310751626.db2.gz QNQRDDLFYGIKCN-UHFFFAOYSA-N 0 0 343.383 3.361 10 5 EGBERN COc1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000474187209 310787646 /nfs/dbraw/zinc/78/76/46/310787646.db2.gz BQFHPTCBGPKFJM-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN COC(=O)c1cc(NCCOc2ccccc2F)cc(C)c1[N+](=O)[O-] ZINC000474776075 310799104 /nfs/dbraw/zinc/79/91/04/310799104.db2.gz RYRUHBMTDQKDJT-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000474795149 310799309 /nfs/dbraw/zinc/79/93/09/310799309.db2.gz VNLDNKPVWYMGBJ-MAZHCROVSA-N 0 0 348.399 3.305 10 5 EGBERN COc1c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cccc1[N+](=O)[O-] ZINC000475579638 310814036 /nfs/dbraw/zinc/81/40/36/310814036.db2.gz BPVCLMGENFRMNY-CQSZACIVSA-N 0 0 342.351 3.084 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000476857479 310835359 /nfs/dbraw/zinc/83/53/59/310835359.db2.gz VSQZXJBNEFNNDO-ZYHUDNBSSA-N 0 0 345.321 3.467 10 5 EGBERN COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1OC ZINC000477713053 310848349 /nfs/dbraw/zinc/84/83/49/310848349.db2.gz FGSLBWIECJGVIX-UHFFFAOYSA-N 0 0 338.703 3.231 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000477806677 310849721 /nfs/dbraw/zinc/84/97/21/310849721.db2.gz OLBBTQXVUYBIHS-MRXNPFEDSA-N 0 0 328.368 3.187 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000480073282 310888961 /nfs/dbraw/zinc/88/89/61/310888961.db2.gz WFWCXPWGILAJJU-PXAZEXFGSA-N 0 0 338.367 3.438 10 5 EGBERN C[C@@H]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000481611833 310917997 /nfs/dbraw/zinc/91/79/97/310917997.db2.gz SNWBCMBVPPDNEJ-VNHYZAJKSA-N 0 0 340.445 3.087 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCn1cnc2ccccc21 ZINC000487931237 311043308 /nfs/dbraw/zinc/04/33/08/311043308.db2.gz HALYOEIUGBLFNM-UHFFFAOYSA-N 0 0 347.378 3.417 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@H](c2ccco2)C1 ZINC000488066579 311049623 /nfs/dbraw/zinc/04/96/23/311049623.db2.gz GJWYISAWCWMMSE-INIZCTEOSA-N 0 0 325.324 3.314 10 5 EGBERN Cc1cccc2nc(CNc3c4ccccc4ncc3[N+](=O)[O-])cn21 ZINC000488062261 311049635 /nfs/dbraw/zinc/04/96/35/311049635.db2.gz FNUNXDGWCWIPBY-UHFFFAOYSA-N 0 0 333.351 3.133 10 5 EGBERN C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000488076160 311050318 /nfs/dbraw/zinc/05/03/18/311050318.db2.gz DTAHQBWTPWWTBW-DYVFJYSZSA-N 0 0 337.383 3.427 10 5 EGBERN Cc1cccc2nc(CNc3c4ccccc4ncc3[N+](=O)[O-])n(C)c21 ZINC000488080491 311050487 /nfs/dbraw/zinc/05/04/87/311050487.db2.gz VKSBLGDARDOXHD-UHFFFAOYSA-N 0 0 347.378 3.372 10 5 EGBERN Cc1cccn2cc(CNc3c4ccccc4ncc3[N+](=O)[O-])nc12 ZINC000488105458 311051387 /nfs/dbraw/zinc/05/13/87/311051387.db2.gz VQWVYRHPOAGENO-UHFFFAOYSA-N 0 0 333.351 3.133 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCOC2(CCCC2)C1 ZINC000488124155 311052243 /nfs/dbraw/zinc/05/22/43/311052243.db2.gz JTYNRMNADADIPR-CYBMUJFWSA-N 0 0 327.384 3.469 10 5 EGBERN CNc1c(C(=O)N(C)Cc2ccc(F)cc2C)cccc1[N+](=O)[O-] ZINC000489416555 311105075 /nfs/dbraw/zinc/10/50/75/311105075.db2.gz WKMGBXLEJYOINX-UHFFFAOYSA-N 0 0 331.347 3.356 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000489560791 311112021 /nfs/dbraw/zinc/11/20/21/311112021.db2.gz AWDKXDYPHUQCTK-SNVBAGLBSA-N 0 0 328.315 3.314 10 5 EGBERN COc1cc(CN2CCCN(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000492757171 311287630 /nfs/dbraw/zinc/28/76/30/311287630.db2.gz PJOSUYZTQXLTDH-UHFFFAOYSA-N 0 0 327.384 3.450 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499183134 311901594 /nfs/dbraw/zinc/90/15/94/311901594.db2.gz IUTVKWHAASFSRN-UHFFFAOYSA-N 0 0 348.424 3.302 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000503679762 311992624 /nfs/dbraw/zinc/99/26/24/311992624.db2.gz KCLANFVYLLWRHC-YJYMSZOUSA-N 0 0 340.379 3.332 10 5 EGBERN CCc1cccc(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000505309716 312019739 /nfs/dbraw/zinc/01/97/39/312019739.db2.gz FTJMEIHHPSSGEB-UHFFFAOYSA-N 0 0 335.363 3.309 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1nc2c(cccc2F)n1C ZINC000509475378 312118227 /nfs/dbraw/zinc/11/82/27/312118227.db2.gz JZMDKGZCENGWRA-UHFFFAOYSA-N 0 0 328.347 3.300 10 5 EGBERN CCC(CC)(NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000512479846 312187453 /nfs/dbraw/zinc/18/74/53/312187453.db2.gz NTWGMEUZZJQIHF-UHFFFAOYSA-N 0 0 342.779 3.018 10 5 EGBERN C[C@@H](C(=O)Nc1cnc(CC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000514619906 312234643 /nfs/dbraw/zinc/23/46/43/312234643.db2.gz QPOCKSUFOVRUBW-LLVKDONJSA-N 0 0 326.356 3.080 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000515250658 312273225 /nfs/dbraw/zinc/27/32/25/312273225.db2.gz ZQSGFRROOMSTRK-MXWKQRLJSA-N 0 0 326.343 3.309 10 5 EGBERN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000516758792 312340269 /nfs/dbraw/zinc/34/02/69/312340269.db2.gz MZPPGDJDXAKHTA-OAHLLOKOSA-N 0 0 325.368 3.398 10 5 EGBERN Cc1ccc(CCCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000520255727 312498708 /nfs/dbraw/zinc/49/87/08/312498708.db2.gz AYHTVOKIYPBDIX-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525940116 312771048 /nfs/dbraw/zinc/77/10/48/312771048.db2.gz BEOQMOAIZSDPAE-RDBSUJKOSA-N 0 0 331.416 3.454 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)CCO2 ZINC000527372197 312861461 /nfs/dbraw/zinc/86/14/61/312861461.db2.gz BLTCHDZPNMHOJG-UHFFFAOYSA-N 0 0 346.770 3.422 10 5 EGBERN Cc1cnc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000531605291 313689565 /nfs/dbraw/zinc/68/95/65/313689565.db2.gz QNWVJCYJGGMYOZ-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531881560 313725736 /nfs/dbraw/zinc/72/57/36/313725736.db2.gz ZEVAWTCPHHWDFK-UHFFFAOYSA-N 0 0 349.774 3.184 10 5 EGBERN O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000534295158 313967282 /nfs/dbraw/zinc/96/72/82/313967282.db2.gz YDXCXPORSQDLCW-UHFFFAOYSA-N 0 0 349.749 3.244 10 5 EGBERN O=C(c1ccc2c(n1)CCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535288957 314038221 /nfs/dbraw/zinc/03/82/21/314038221.db2.gz MYFZRIJWOBFOAD-UHFFFAOYSA-N 0 0 337.379 3.067 10 5 EGBERN CCN(C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000536005799 314086965 /nfs/dbraw/zinc/08/69/65/314086965.db2.gz MMNKPYCUHABYME-UHFFFAOYSA-N 0 0 345.443 3.134 10 5 EGBERN C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000539293827 314304614 /nfs/dbraw/zinc/30/46/14/314304614.db2.gz UKMBUEWWNMYLFG-UGSOOPFHSA-N 0 0 349.431 3.286 10 5 EGBERN CSc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000541472676 314461988 /nfs/dbraw/zinc/46/19/88/314461988.db2.gz WEFCLOFTGVYSAS-UHFFFAOYSA-N 0 0 344.396 3.302 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(F)cc3)no2)nc1 ZINC000545524990 314769258 /nfs/dbraw/zinc/76/92/58/314769258.db2.gz ADZSNLOVLDFRKE-UHFFFAOYSA-N 0 0 332.316 3.471 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cnc4ccsc4c3)no2)nc1 ZINC000546425206 314826613 /nfs/dbraw/zinc/82/66/13/314826613.db2.gz ZKFPMZKGMNBCLX-UHFFFAOYSA-N 0 0 325.309 3.317 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnc3ccccc32)cc1[N+](=O)[O-] ZINC000546609707 314837826 /nfs/dbraw/zinc/83/78/26/314837826.db2.gz LOOFPNKGNHKWNL-UHFFFAOYSA-N 0 0 337.335 3.216 10 5 EGBERN CC(=O)N1CCc2c1cccc2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000546719469 314851735 /nfs/dbraw/zinc/85/17/35/314851735.db2.gz BXKCZEFGBBPZCL-UHFFFAOYSA-N 0 0 345.380 3.126 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000547408110 314898321 /nfs/dbraw/zinc/89/83/21/314898321.db2.gz JCWKIBYNOIWCKI-CMPLNLGQSA-N 0 0 330.306 3.499 10 5 EGBERN CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000548889580 315060158 /nfs/dbraw/zinc/06/01/58/315060158.db2.gz ICRXUZXPNUKKCH-UHFFFAOYSA-N 0 0 333.310 3.025 10 5 EGBERN CCCCOc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000551098358 315142254 /nfs/dbraw/zinc/14/22/54/315142254.db2.gz BHYDJENSUKIAII-UHFFFAOYSA-N 0 0 344.367 3.127 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000553008312 315241079 /nfs/dbraw/zinc/24/10/79/315241079.db2.gz DDHUSEDEJCMCJB-LLVKDONJSA-N 0 0 345.355 3.267 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@]2(CCCOC2)C1 ZINC000553489868 315266432 /nfs/dbraw/zinc/26/64/32/315266432.db2.gz RNCCPINULNDJBJ-SFHVURJKSA-N 0 0 348.399 3.087 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1[nH]nc2ccc(Cl)cc21 ZINC000554424643 315317244 /nfs/dbraw/zinc/31/72/44/315317244.db2.gz OUROLOIIVINWLR-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000558085251 315549514 /nfs/dbraw/zinc/54/95/14/315549514.db2.gz RLVYHELGAAVFGH-QWRGUYRKSA-N 0 0 326.343 3.358 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564720416 316194214 /nfs/dbraw/zinc/19/42/14/316194214.db2.gz OCWRCUPPLOLTPY-CQSZACIVSA-N 0 0 344.415 3.306 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000162493969 454778982 /nfs/dbraw/zinc/77/89/82/454778982.db2.gz JEBNSAPHQFGBJM-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN Cn1c2ccc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)cc2oc1=O ZINC000567162823 316576578 /nfs/dbraw/zinc/57/65/78/316576578.db2.gz MYRNJJWBZGVDDR-UHFFFAOYSA-N 0 0 340.339 3.057 10 5 EGBERN O=C(c1cn2c(n1)CCC2)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000567922848 316694631 /nfs/dbraw/zinc/69/46/31/316694631.db2.gz RIHNOHBMVYPZFI-UHFFFAOYSA-N 0 0 340.383 3.327 10 5 EGBERN C[C@@H]1CCn2ncc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000568091035 316723584 /nfs/dbraw/zinc/72/35/84/316723584.db2.gz HUISZGYRMMJRQE-GFCCVEGCSA-N 0 0 342.399 3.039 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000571851975 317255838 /nfs/dbraw/zinc/25/58/38/317255838.db2.gz VAPHRLASZDTKHN-BZNIZROVSA-N 0 0 346.387 3.107 10 5 EGBERN COc1ncc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1Cl ZINC000572129073 317295841 /nfs/dbraw/zinc/29/58/41/317295841.db2.gz XYZZKQZZILJXGF-UHFFFAOYSA-N 0 0 346.730 3.293 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1COc2ccccc2C1 ZINC000171446806 323235586 /nfs/dbraw/zinc/23/55/86/323235586.db2.gz DCHUYOPYSVLJCJ-SWLSCSKDSA-N 0 0 338.363 3.124 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccc(CO)c(F)c2)ccc2ncccc21 ZINC000171830956 323253893 /nfs/dbraw/zinc/25/38/93/323253893.db2.gz JPOCRZZMRFMQCB-UHFFFAOYSA-N 0 0 327.315 3.387 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1csc(C(F)(F)F)n1 ZINC000187971987 323757201 /nfs/dbraw/zinc/75/72/01/323757201.db2.gz YHFLARDTTRAJFQ-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1ccc(C)cc1 ZINC000193588548 323839913 /nfs/dbraw/zinc/83/99/13/323839913.db2.gz KEXBJDGGNZHTNH-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN CCO[C@H](c1noc(-c2cc([N+](=O)[O-])cnc2C)n1)c1ccccc1 ZINC000351007873 324153511 /nfs/dbraw/zinc/15/35/11/324153511.db2.gz PULLFGUATVWPGZ-HNNXBMFYSA-N 0 0 340.339 3.474 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC1CCC1 ZINC000576754756 324675438 /nfs/dbraw/zinc/67/54/38/324675438.db2.gz ABVKVTVNLTUCLJ-GFCCVEGCSA-N 0 0 338.429 3.008 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000577375721 324795860 /nfs/dbraw/zinc/79/58/60/324795860.db2.gz OBZWYIYYLBBCAI-NXEZZACHSA-N 0 0 332.278 3.207 10 5 EGBERN C[C@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000577690803 324847312 /nfs/dbraw/zinc/84/73/12/324847312.db2.gz WEDSWFIINRUFML-VIFPVBQESA-N 0 0 345.380 3.313 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000578331301 324953939 /nfs/dbraw/zinc/95/39/39/324953939.db2.gz NJWAWZMCCUNKMW-BXKDBHETSA-N 0 0 348.321 3.141 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(F)F)cc2[N+](=O)[O-])C1 ZINC000578806429 325020572 /nfs/dbraw/zinc/02/05/72/325020572.db2.gz VGICNZRQIRPDPO-LLVKDONJSA-N 0 0 341.358 3.216 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000579871048 325170222 /nfs/dbraw/zinc/17/02/22/325170222.db2.gz WNPCPECXWUAGPA-UHFFFAOYSA-N 0 0 333.388 3.245 10 5 EGBERN O=C(c1nc2c(s1)CCC2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000580169669 325212806 /nfs/dbraw/zinc/21/28/06/325212806.db2.gz SWIOUXBRVSNZON-UHFFFAOYSA-N 0 0 329.381 3.133 10 5 EGBERN C[C@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000580509683 325258212 /nfs/dbraw/zinc/25/82/12/325258212.db2.gz REMUCNPVNMNHHU-NSHDSACASA-N 0 0 337.339 3.122 10 5 EGBERN Cn1cc(Cl)cc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580536710 325264266 /nfs/dbraw/zinc/26/42/66/325264266.db2.gz LOIJPJCOMDTZBQ-UHFFFAOYSA-N 0 0 346.774 3.041 10 5 EGBERN O=C(c1nc2c(s1)CCC2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000580821532 325298814 /nfs/dbraw/zinc/29/88/14/325298814.db2.gz XNGIURLQOPRXBS-UHFFFAOYSA-N 0 0 329.381 3.133 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2ccccc2OC)c1[N+](=O)[O-] ZINC000581743287 325387957 /nfs/dbraw/zinc/38/79/57/325387957.db2.gz OFQITKWQSIBDKV-UHFFFAOYSA-N 0 0 334.353 3.245 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000581751853 325388162 /nfs/dbraw/zinc/38/81/62/325388162.db2.gz UAXAETARBCLSMR-ZDUSSCGKSA-N 0 0 334.347 3.006 10 5 EGBERN COC(=O)c1csc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000157859845 455241621 /nfs/dbraw/zinc/24/16/21/455241621.db2.gz AJPRWHCUIQCNGW-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN CC[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000180825263 455251935 /nfs/dbraw/zinc/25/19/35/455251935.db2.gz VYAYHVSAWSAABF-ZDUSSCGKSA-N 0 0 343.383 3.406 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189946360 455258567 /nfs/dbraw/zinc/25/85/67/455258567.db2.gz SVVCPQKMHURPRJ-AWEZNQCLSA-N 0 0 330.315 3.296 10 5 EGBERN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1c(F)cccc1F ZINC000000151053 452523487 /nfs/dbraw/zinc/52/34/87/452523487.db2.gz JMKKAGMOJJCQLK-UHFFFAOYSA-N 0 0 346.245 3.232 10 5 EGBERN COCc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000600699485 460572428 /nfs/dbraw/zinc/57/24/28/460572428.db2.gz GDLNSKBKYZFSOR-GFCCVEGCSA-N 0 0 344.367 3.492 10 5 EGBERN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCc1ccccc1 ZINC000005531690 452882877 /nfs/dbraw/zinc/88/28/77/452882877.db2.gz UYBMMAGUGWXLQZ-UHFFFAOYSA-N 0 0 343.364 3.307 10 5 EGBERN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000005709929 452897595 /nfs/dbraw/zinc/89/75/95/452897595.db2.gz LUOSOYUCYCHZKU-LBPRGKRZSA-N 0 0 342.351 3.222 10 5 EGBERN Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000008685003 453221654 /nfs/dbraw/zinc/22/16/54/453221654.db2.gz SRIBFSSEZVMOBG-UHFFFAOYSA-N 0 0 343.383 3.114 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000600774493 460598428 /nfs/dbraw/zinc/59/84/28/460598428.db2.gz QYDCVYOBHMMVFA-OAHLLOKOSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1c(CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600776093 460599331 /nfs/dbraw/zinc/59/93/31/460599331.db2.gz WHPFEOHKPVSAEY-INIZCTEOSA-N 0 0 340.379 3.167 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000015132842 453558913 /nfs/dbraw/zinc/55/89/13/453558913.db2.gz RKLCQJCLRRRUIV-GFCCVEGCSA-N 0 0 344.367 3.032 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1ccccc1 ZINC000015271474 453563254 /nfs/dbraw/zinc/56/32/54/453563254.db2.gz SORHMZLMYSNYEL-UHFFFAOYSA-N 0 0 328.324 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000600805670 460610657 /nfs/dbraw/zinc/61/06/57/460610657.db2.gz SPDXJYKDGLZMDU-AWEZNQCLSA-N 0 0 332.400 3.369 10 5 EGBERN C[C@H]1COCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000025503884 453775461 /nfs/dbraw/zinc/77/54/61/453775461.db2.gz XXEPOMSBXQYBIB-ZDUSSCGKSA-N 0 0 326.352 3.051 10 5 EGBERN COC(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000026792566 453805574 /nfs/dbraw/zinc/80/55/74/453805574.db2.gz QZERRHKSCQROAO-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000027599463 453819487 /nfs/dbraw/zinc/81/94/87/453819487.db2.gz DUGOBELKLIKMMQ-CQSZACIVSA-N 0 0 333.432 3.236 10 5 EGBERN COC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000030204312 453834424 /nfs/dbraw/zinc/83/44/24/453834424.db2.gz NBCHCFYPZZKNFA-UHFFFAOYSA-N 0 0 348.380 3.024 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000031203318 453841698 /nfs/dbraw/zinc/84/16/98/453841698.db2.gz RXEYGJHQYVLYTK-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN Cc1ccc(OCCN(C)c2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000052722095 453842873 /nfs/dbraw/zinc/84/28/73/453842873.db2.gz SZWNJIOGZADEEV-UHFFFAOYSA-N 0 0 332.385 3.128 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 ZINC000066524294 453850020 /nfs/dbraw/zinc/85/00/20/453850020.db2.gz HBEXYSPYNWRNPN-SECBINFHSA-N 0 0 330.369 3.414 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066713448 453865965 /nfs/dbraw/zinc/86/59/65/453865965.db2.gz MBVIPHCLHJEESP-WCQYABFASA-N 0 0 332.381 3.259 10 5 EGBERN O=C(CCCNc1ccncc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000066809934 453875843 /nfs/dbraw/zinc/87/58/43/453875843.db2.gz ZQHVMZSVDSWQEN-UHFFFAOYSA-N 0 0 334.763 3.474 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000053555960 453887736 /nfs/dbraw/zinc/88/77/36/453887736.db2.gz SLKPMWQHIQKBPO-QWRGUYRKSA-N 0 0 345.321 3.487 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000053577865 453888825 /nfs/dbraw/zinc/88/88/25/453888825.db2.gz CYBDWOMOTZETDY-LLVKDONJSA-N 0 0 331.347 3.137 10 5 EGBERN Cc1ccccc1Cc1nc(COc2cccc([N+](=O)[O-])c2)no1 ZINC000083090450 453938194 /nfs/dbraw/zinc/93/81/94/453938194.db2.gz JDKXQQRGNQSUFM-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000084226285 453978139 /nfs/dbraw/zinc/97/81/39/453978139.db2.gz ZJGKNGNBDNFHRV-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)n1 ZINC000055363150 453978381 /nfs/dbraw/zinc/97/83/81/453978381.db2.gz HRCSFSMMDARNKV-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN O=c1c([N+](=O)[O-])c(Sc2ccccc2Cl)nc2ccccn12 ZINC000041817309 453979687 /nfs/dbraw/zinc/97/96/87/453979687.db2.gz ZWUVCRPPRHHPDH-UHFFFAOYSA-N 0 0 333.756 3.407 10 5 EGBERN Cc1nc(C(C)C)sc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068185368 454006438 /nfs/dbraw/zinc/00/64/38/454006438.db2.gz GQXKQELMOHXTSE-UHFFFAOYSA-N 0 0 349.412 3.292 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(Br)c1 ZINC000042354713 454007890 /nfs/dbraw/zinc/00/78/90/454007890.db2.gz FZMSPGOJVLKWIN-QMMMGPOBSA-N 0 0 338.161 3.176 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1[N+](=O)[O-] ZINC000084808813 454011118 /nfs/dbraw/zinc/01/11/18/454011118.db2.gz NFGJBCXHHBPAIF-SUMWQHHRSA-N 0 0 348.399 3.154 10 5 EGBERN Cc1sc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000076687135 454025674 /nfs/dbraw/zinc/02/56/74/454025674.db2.gz JPHHFSFTVFXWJE-UHFFFAOYSA-N 0 0 347.331 3.141 10 5 EGBERN COc1cc(C)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000087142602 454066049 /nfs/dbraw/zinc/06/60/49/454066049.db2.gz KULOHVREUMJCBC-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(Nc1ccc2c(c1)CCO2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088354857 454100391 /nfs/dbraw/zinc/10/03/91/454100391.db2.gz BHRCYXXGNVPNGD-UHFFFAOYSA-N 0 0 339.351 3.120 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(OC[C@H]2CCOC2)c1 ZINC000088743861 454118196 /nfs/dbraw/zinc/11/81/96/454118196.db2.gz KVLRPLXYGQKLMN-AWEZNQCLSA-N 0 0 343.383 3.326 10 5 EGBERN COc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000069708620 454136559 /nfs/dbraw/zinc/13/65/59/454136559.db2.gz JVYJHMXCXZEJTG-CVEARBPZSA-N 0 0 326.352 3.023 10 5 EGBERN O=C(Nc1ccccn1)c1ccc(Oc2ccncc2[N+](=O)[O-])cc1 ZINC000069815046 454148657 /nfs/dbraw/zinc/14/86/57/454148657.db2.gz MTZXAPLTMXFCBX-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000078256515 454217972 /nfs/dbraw/zinc/21/79/72/454217972.db2.gz UGPLEOOACFUUMP-UHFFFAOYSA-N 0 0 349.318 3.079 10 5 EGBERN COC(=O)c1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000046186011 454227017 /nfs/dbraw/zinc/22/70/17/454227017.db2.gz NDCNFTYMVYEDSY-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058904511 454242309 /nfs/dbraw/zinc/24/23/09/454242309.db2.gz XPTLYBYUMSZBSX-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN Cc1ccnc(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000078369511 454242320 /nfs/dbraw/zinc/24/23/20/454242320.db2.gz ZGPBXYXXJRTBJR-WFASDCNBSA-N 0 0 331.347 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952505 454245720 /nfs/dbraw/zinc/24/57/20/454245720.db2.gz SPYZLPXESJNBSH-HUUCEWRRSA-N 0 0 340.420 3.220 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000131432565 454253537 /nfs/dbraw/zinc/25/35/37/454253537.db2.gz YVWXUPONPMQFRU-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000131504206 454259007 /nfs/dbraw/zinc/25/90/07/454259007.db2.gz NZJAOJDFPYCYLU-ZDUSSCGKSA-N 0 0 337.759 3.375 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000078477265 454259724 /nfs/dbraw/zinc/25/97/24/454259724.db2.gz QRIOZQALLLFIBT-BLUMVJBISA-N 0 0 336.413 3.477 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](Cc4ccncc4)C3)c21 ZINC000612450003 460631149 /nfs/dbraw/zinc/63/11/49/460631149.db2.gz CNNGSLZUVAWRNI-CQSZACIVSA-N 0 0 335.367 3.002 10 5 EGBERN Cc1noc(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC000090086207 454275628 /nfs/dbraw/zinc/27/56/28/454275628.db2.gz RDQBXTXXBLYDKJ-UHFFFAOYSA-N 0 0 325.328 3.003 10 5 EGBERN CC[C@H](NC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090512439 454313601 /nfs/dbraw/zinc/31/36/01/454313601.db2.gz AEAURXWEOIZTRQ-KRWDZBQOSA-N 0 0 343.383 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ncccn2)n1 ZINC000047207373 454340492 /nfs/dbraw/zinc/34/04/92/454340492.db2.gz SDTVKNDVWAHFSO-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000063069917 454391524 /nfs/dbraw/zinc/39/15/24/454391524.db2.gz KDRYBGDFXCMPMY-QGZVFWFLSA-N 0 0 325.368 3.472 10 5 EGBERN Cc1cc(NC(=O)NCc2nccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000097049338 454397415 /nfs/dbraw/zinc/39/74/15/454397415.db2.gz NEBHZYZDTLXLPZ-UHFFFAOYSA-N 0 0 331.376 3.077 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cn2cccn2)no1 ZINC000073342413 454424231 /nfs/dbraw/zinc/42/42/31/454424231.db2.gz LLNOOUBTOXKLDC-SNVBAGLBSA-N 0 0 331.357 3.076 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434214 454435006 /nfs/dbraw/zinc/43/50/06/454435006.db2.gz DFVZNYWATLGZNO-GHMZBOCLSA-N 0 0 346.305 3.211 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434159 454435038 /nfs/dbraw/zinc/43/50/38/454435038.db2.gz DFTSDGQYFSPPJT-GHMZBOCLSA-N 0 0 346.305 3.211 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000133552353 454439069 /nfs/dbraw/zinc/43/90/69/454439069.db2.gz HKSFWUVKEXLDBM-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN CCOc1cccc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000121491583 454441455 /nfs/dbraw/zinc/44/14/55/454441455.db2.gz NNKYZRJYKPYVNM-UHFFFAOYSA-N 0 0 342.395 3.285 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000064354671 454475260 /nfs/dbraw/zinc/47/52/60/454475260.db2.gz GFLLFAAZLOFMTB-UHFFFAOYSA-N 0 0 338.751 3.319 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000091836694 454479344 /nfs/dbraw/zinc/47/93/44/454479344.db2.gz RQFVYEDIFRKRNW-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1-c1ccccc1 ZINC000064815006 454509121 /nfs/dbraw/zinc/50/91/21/454509121.db2.gz KQXFZYUNGIXTTF-UHFFFAOYSA-N 0 0 336.351 3.121 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000122161548 454512260 /nfs/dbraw/zinc/51/22/60/454512260.db2.gz QPILUPUHPHZROB-UHFFFAOYSA-N 0 0 330.384 3.158 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000080001079 454514328 /nfs/dbraw/zinc/51/43/28/454514328.db2.gz GFPGBHNWILGWNK-MRXNPFEDSA-N 0 0 338.791 3.281 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000104456692 454586810 /nfs/dbraw/zinc/58/68/10/454586810.db2.gz OQVLVZRFBWGCBE-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2c(cc1O)CCCC2 ZINC000065618509 454605273 /nfs/dbraw/zinc/60/52/73/454605273.db2.gz WLLPUXCQABMBEB-UHFFFAOYSA-N 0 0 326.352 3.109 10 5 EGBERN Cc1cc(N[C@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092688939 454611913 /nfs/dbraw/zinc/61/19/13/454611913.db2.gz QLIMMXCIQDEOPK-MRXNPFEDSA-N 0 0 327.384 3.015 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074766399 454631464 /nfs/dbraw/zinc/63/14/64/454631464.db2.gz HZYPOTPWDGFRGD-LRDDRELGSA-N 0 0 331.347 3.404 10 5 EGBERN CC[C@@H](NC(=O)NCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000176144827 454702835 /nfs/dbraw/zinc/70/28/35/454702835.db2.gz MNLQGADRTURIJH-OAHLLOKOSA-N 0 0 328.372 3.249 10 5 EGBERN CC(=O)Nc1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153027796 454754198 /nfs/dbraw/zinc/75/41/98/454754198.db2.gz KAKDESUASZPSJD-UHFFFAOYSA-N 0 0 325.368 3.112 10 5 EGBERN Cc1ccc(C)c(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153182309 454768013 /nfs/dbraw/zinc/76/80/13/454768013.db2.gz GCXJFCCTLMMTJZ-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293366 454779506 /nfs/dbraw/zinc/77/95/06/454779506.db2.gz FNZLKCRVUIAJMC-SOUVJXGZSA-N 0 0 345.443 3.131 10 5 EGBERN CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153328087 454782969 /nfs/dbraw/zinc/78/29/69/454782969.db2.gz BWTNSCJVWHMSAQ-QWHCGFSZSA-N 0 0 340.445 3.324 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000176822001 454787083 /nfs/dbraw/zinc/78/70/83/454787083.db2.gz CVSCIUYDDCAATE-NSHDSACASA-N 0 0 331.372 3.309 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176857432 454791537 /nfs/dbraw/zinc/79/15/37/454791537.db2.gz SNQPUVGIYYEUEC-UHFFFAOYSA-N 0 0 345.424 3.131 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCOCc1ccc(Cl)cc1 ZINC000162971249 454814026 /nfs/dbraw/zinc/81/40/26/454814026.db2.gz MUQSUVBQFMKBEA-UHFFFAOYSA-N 0 0 348.786 3.124 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccsc4)C3)nc2c1 ZINC000125672881 454838185 /nfs/dbraw/zinc/83/81/85/454838185.db2.gz ZJKFCBWOFCBSPA-OAHLLOKOSA-N 0 0 345.380 3.371 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOc2ccc(C)cc2)c1 ZINC000146113483 454856711 /nfs/dbraw/zinc/85/67/11/454856711.db2.gz UMSDXJCBXJBVGK-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243827 455471256 /nfs/dbraw/zinc/47/12/56/455471256.db2.gz JKLPWDDEDOWUNL-OAHLLOKOSA-N 0 0 333.775 3.297 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCC[C@H]3CCCC[C@H]3O)cc2N1 ZINC000154518252 454903563 /nfs/dbraw/zinc/90/35/63/454903563.db2.gz WVIWSKUNOKWEGU-SJKOYZFVSA-N 0 0 347.415 3.223 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000177793274 454906168 /nfs/dbraw/zinc/90/61/68/454906168.db2.gz JNRLIQWPXPQNDS-CQSZACIVSA-N 0 0 330.388 3.333 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177814032 454909657 /nfs/dbraw/zinc/90/96/57/454909657.db2.gz IWKBWPTWIJQERX-NVXWUHKLSA-N 0 0 344.342 3.305 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151249178 454957901 /nfs/dbraw/zinc/95/79/01/454957901.db2.gz MCOUVAZSUSZNSH-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN O=C(CN1CCC[C@@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495166 454958341 /nfs/dbraw/zinc/95/83/41/454958341.db2.gz KCHMELJKPRTPBE-SFHVURJKSA-N 0 0 329.400 3.356 10 5 EGBERN COC[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170743492 454967792 /nfs/dbraw/zinc/96/77/92/454967792.db2.gz JVOUSHHNMVVZDF-DYVFJYSZSA-N 0 0 343.383 3.343 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000170749490 454969057 /nfs/dbraw/zinc/96/90/57/454969057.db2.gz VOSZWOJKDCSFOE-HNNXBMFYSA-N 0 0 329.356 3.412 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000115590066 455021822 /nfs/dbraw/zinc/02/18/22/455021822.db2.gz HYBFQHNQLGKFGW-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2COc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000156129486 455084473 /nfs/dbraw/zinc/08/44/73/455084473.db2.gz YGTPNAFOGLDULF-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN Cc1sc(C(=O)N2CCCN(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000172431526 455153567 /nfs/dbraw/zinc/15/35/67/455153567.db2.gz CWMBNUCTRVNUQR-UHFFFAOYSA-N 0 0 331.397 3.451 10 5 EGBERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000180287288 455155159 /nfs/dbraw/zinc/15/51/59/455155159.db2.gz LAAAFKVPWHGMNW-INWMFGNUSA-N 0 0 338.429 3.078 10 5 EGBERN O=C(OCc1cncs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000180455911 455173509 /nfs/dbraw/zinc/17/35/09/455173509.db2.gz LZUFRGGBDOTHPO-UHFFFAOYSA-N 0 0 347.396 3.011 10 5 EGBERN CC[C@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000183833943 455331273 /nfs/dbraw/zinc/33/12/73/455331273.db2.gz LLGLEEGHVGZTTH-HNNXBMFYSA-N 0 0 325.368 3.275 10 5 EGBERN Cc1sc(C(=O)NCc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181572245 455356952 /nfs/dbraw/zinc/35/69/52/455356952.db2.gz ARGKFCRBACSRKH-UHFFFAOYSA-N 0 0 349.412 3.467 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174474013 455395487 /nfs/dbraw/zinc/39/54/87/455395487.db2.gz OPZPCIDJVTZCCR-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000184909626 455470829 /nfs/dbraw/zinc/47/08/29/455470829.db2.gz NWILGJCQNOIPPX-MRVPVSSYSA-N 0 0 325.415 3.297 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000182283199 455479628 /nfs/dbraw/zinc/47/96/28/455479628.db2.gz KHHALACDROBJNY-SICOMBFOSA-N 0 0 343.383 3.010 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000191465176 455487376 /nfs/dbraw/zinc/48/73/76/455487376.db2.gz VASRQECOOKITDH-LBPRGKRZSA-N 0 0 330.388 3.426 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000191572874 455498431 /nfs/dbraw/zinc/49/84/31/455498431.db2.gz HDOUFSTUBZPIKF-MRVPVSSYSA-N 0 0 340.742 3.095 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCCC2)n1 ZINC000191606899 455502935 /nfs/dbraw/zinc/50/29/35/455502935.db2.gz QJZPDIRKVFMJFT-UHFFFAOYSA-N 0 0 328.372 3.401 10 5 EGBERN CCOC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601008074 460674244 /nfs/dbraw/zinc/67/42/44/460674244.db2.gz HLEYLRXHCSTGKV-UHFFFAOYSA-N 0 0 332.400 3.044 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)c3ccccc32)n1 ZINC000191708486 455511533 /nfs/dbraw/zinc/51/15/33/455511533.db2.gz FNVINLNMRRAFSG-LBPRGKRZSA-N 0 0 328.372 3.355 10 5 EGBERN CCS[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000267377592 455550189 /nfs/dbraw/zinc/55/01/89/455550189.db2.gz YVFCSSCOOAAOFX-HUUCEWRRSA-N 0 0 333.413 3.480 10 5 EGBERN CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182616388 455553828 /nfs/dbraw/zinc/55/38/28/455553828.db2.gz MQBXUDKPPVNKRL-UHFFFAOYSA-N 0 0 340.286 3.055 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000161351977 455561955 /nfs/dbraw/zinc/56/19/55/455561955.db2.gz MXQFMWZDIOLDDZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161420578 455568573 /nfs/dbraw/zinc/56/85/73/455568573.db2.gz QNEPSTFETWLQII-ZDUSSCGKSA-N 0 0 336.388 3.143 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Cc2ccncc2)C1 ZINC000612616695 460680434 /nfs/dbraw/zinc/68/04/34/460680434.db2.gz TUGINUKTFJMIJG-CYBMUJFWSA-N 0 0 344.346 3.225 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000271328152 455599450 /nfs/dbraw/zinc/59/94/50/455599450.db2.gz LGBCIGJHPUGEIO-FAQJLRJSSA-N 0 0 334.372 3.008 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185773688 455619439 /nfs/dbraw/zinc/61/94/39/455619439.db2.gz SMHZCJBRHIAUKI-CMPLNLGQSA-N 0 0 332.360 3.087 10 5 EGBERN C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000185785168 455621608 /nfs/dbraw/zinc/62/16/08/455621608.db2.gz IKHOVSAMDYQJCR-BONVTDFDSA-N 0 0 345.330 3.058 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000268231317 455625699 /nfs/dbraw/zinc/62/56/99/455625699.db2.gz OREUYQLRHSGUFD-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN COc1ccc([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000192519864 455635688 /nfs/dbraw/zinc/63/56/88/455635688.db2.gz VBHXMLGGNOLPKN-GFCCVEGCSA-N 0 0 329.356 3.140 10 5 EGBERN Cc1cnc(CCN(C)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000284146946 455642214 /nfs/dbraw/zinc/64/22/14/455642214.db2.gz QJGPETMSJBCOMQ-UHFFFAOYSA-N 0 0 327.356 3.312 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192639427 455659756 /nfs/dbraw/zinc/65/97/56/455659756.db2.gz IWVDYCYFQAVTBA-CQSZACIVSA-N 0 0 326.352 3.465 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3C)C2)n(C)n1 ZINC000277815695 455675822 /nfs/dbraw/zinc/67/58/22/455675822.db2.gz IIXFPABXRMNNQI-AWEZNQCLSA-N 0 0 329.404 3.026 10 5 EGBERN C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271591313 455694101 /nfs/dbraw/zinc/69/41/01/455694101.db2.gz FZRDKERMSYPTQD-ACJLOTCBSA-N 0 0 339.395 3.265 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278357601 455827181 /nfs/dbraw/zinc/82/71/81/455827181.db2.gz PNBANOCFZAAQCI-BLLLJJGKSA-N 0 0 336.391 3.248 10 5 EGBERN CSc1cccc(C(=O)N2CCOc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000186965909 455857006 /nfs/dbraw/zinc/85/70/06/455857006.db2.gz BOXOSAIHXZOKQM-UHFFFAOYSA-N 0 0 345.380 3.059 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194606899 455864324 /nfs/dbraw/zinc/86/43/24/455864324.db2.gz FEQFDPSUXVNJRO-CQSZACIVSA-N 0 0 342.399 3.139 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280164975 455906652 /nfs/dbraw/zinc/90/66/52/455906652.db2.gz GQWOAMCLKUNBBB-OAHLLOKOSA-N 0 0 326.780 3.023 10 5 EGBERN Cc1csc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384963 455954309 /nfs/dbraw/zinc/95/43/09/455954309.db2.gz AHMQOFKYDNMVNE-OAHLLOKOSA-N 0 0 333.413 3.242 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296574657 455978322 /nfs/dbraw/zinc/97/83/22/455978322.db2.gz QTBNLLPRUGPECD-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CSc1cccc(C(=O)NC[C@](C)(O)CCC(C)C)c1[N+](=O)[O-] ZINC000188176705 456014887 /nfs/dbraw/zinc/01/48/87/456014887.db2.gz CHNCZYUIJHUEQX-MRXNPFEDSA-N 0 0 340.445 3.234 10 5 EGBERN Cc1cc(=NO[C@@H]2CCCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000301263322 456074416 /nfs/dbraw/zinc/07/44/16/456074416.db2.gz VMJYZXVEWQCJAK-OAHLLOKOSA-N 0 0 330.344 3.230 10 5 EGBERN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1cc(F)ccc1-n1cccn1 ZINC000225227527 456075742 /nfs/dbraw/zinc/07/57/42/456075742.db2.gz RBCAFUWTOZNKBT-LLVKDONJSA-N 0 0 328.303 3.455 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1scnc1C ZINC000297003791 456088811 /nfs/dbraw/zinc/08/88/11/456088811.db2.gz RWVOOAIDECZRIJ-LUAWRHEFSA-N 0 0 331.397 3.122 10 5 EGBERN CC(C)NC(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301487871 456128199 /nfs/dbraw/zinc/12/81/99/456128199.db2.gz ZBSYBTUKNMEBLZ-SECBINFHSA-N 0 0 333.310 3.329 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CCO2)c1 ZINC000301658371 456175485 /nfs/dbraw/zinc/17/54/85/456175485.db2.gz BUSNQHKTLTTXJA-SFHVURJKSA-N 0 0 328.368 3.490 10 5 EGBERN COC(=O)c1cc(NC[C@@H](O)c2ccc(C)cc2)cc(C)c1[N+](=O)[O-] ZINC000301670408 456180560 /nfs/dbraw/zinc/18/05/60/456180560.db2.gz FDKTWXSREMQDLD-MRXNPFEDSA-N 0 0 344.367 3.144 10 5 EGBERN Cc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000601129020 460722954 /nfs/dbraw/zinc/72/29/54/460722954.db2.gz LDFSOGRNIVYBJV-CQSZACIVSA-N 0 0 347.346 3.217 10 5 EGBERN CCc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH]1 ZINC000271302561 456212759 /nfs/dbraw/zinc/21/27/59/456212759.db2.gz GZEDKXUIBWNJMJ-ZETCQYMHSA-N 0 0 327.291 3.050 10 5 EGBERN CO[C@@H]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301794321 456215753 /nfs/dbraw/zinc/21/57/53/456215753.db2.gz SMHYKQJLLPTMKO-NXEZZACHSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189097229 456226251 /nfs/dbraw/zinc/22/62/51/456226251.db2.gz CGZCAPJMYUFVLM-GFCCVEGCSA-N 0 0 345.424 3.034 10 5 EGBERN Cc1nc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)sc1C ZINC000601125166 460719510 /nfs/dbraw/zinc/71/95/10/460719510.db2.gz NKVBGAYNVWGQGS-UHFFFAOYSA-N 0 0 335.311 3.033 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N(CCO)Cc3ccsc3)ccc2c1 ZINC000301838163 456228717 /nfs/dbraw/zinc/22/87/17/456228717.db2.gz NFBQBKBCKFXOIY-UHFFFAOYSA-N 0 0 329.381 3.203 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000301895755 456245231 /nfs/dbraw/zinc/24/52/31/456245231.db2.gz PZBZMBQTSXDTDY-CYBMUJFWSA-N 0 0 349.774 3.423 10 5 EGBERN Cc1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)c([N+](=O)[O-])c1 ZINC000301907167 456247175 /nfs/dbraw/zinc/24/71/75/456247175.db2.gz ZPUYLHVJLWKZAU-AWEZNQCLSA-N 0 0 329.356 3.078 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3OC3CCC3)nn21 ZINC000301951731 456257315 /nfs/dbraw/zinc/25/73/15/456257315.db2.gz BVDRYEDMCWTKRA-UHFFFAOYSA-N 0 0 339.355 3.181 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000301966133 456260306 /nfs/dbraw/zinc/26/03/06/456260306.db2.gz OHZQUSRBCHTNJQ-VXGBXAGGSA-N 0 0 333.392 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H](O)c1ccc2ccccc2c1 ZINC000302021796 456269866 /nfs/dbraw/zinc/26/98/66/456269866.db2.gz FTAQNTBWDLKGAG-IBGZPJMESA-N 0 0 338.363 3.386 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1NCc1ccc(Cl)cn1 ZINC000302027939 456271617 /nfs/dbraw/zinc/27/16/17/456271617.db2.gz QYUNMLCCMSJUAG-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000302050248 456276515 /nfs/dbraw/zinc/27/65/15/456276515.db2.gz OMGROEHVURZZAR-UHFFFAOYSA-N 0 0 346.358 3.274 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCOc3ccccc32)c1 ZINC000302062479 456277859 /nfs/dbraw/zinc/27/78/59/456277859.db2.gz BXHMISFPRGSUCE-CYBMUJFWSA-N 0 0 342.351 3.360 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(Oc3ccc(F)cc3)nc2)nc1 ZINC000302106525 456289865 /nfs/dbraw/zinc/28/98/65/456289865.db2.gz NWTNEQGMGGFXRZ-UHFFFAOYSA-N 0 0 341.302 3.323 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000302125782 456293685 /nfs/dbraw/zinc/29/36/85/456293685.db2.gz FNGPHFDXNWVOOX-INIZCTEOSA-N 0 0 339.395 3.257 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ccc(F)cc3C2)c1 ZINC000302172813 456306543 /nfs/dbraw/zinc/30/65/43/456306543.db2.gz MITKFYCGTVLLNO-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN COc1cc(NC[C@]2(O)CCCC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000302500432 456350993 /nfs/dbraw/zinc/35/09/93/456350993.db2.gz OGPWONYFWNNHFC-INIZCTEOSA-N 0 0 326.368 3.486 10 5 EGBERN CC(C)CCSc1ccc(C(=O)N(C)CCCO)cc1[N+](=O)[O-] ZINC000281986293 456382427 /nfs/dbraw/zinc/38/24/27/456382427.db2.gz QHJUOQWXMBNKMK-UHFFFAOYSA-N 0 0 340.445 3.187 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347824132 456387424 /nfs/dbraw/zinc/38/74/24/456387424.db2.gz IACPLNDFFDOLAV-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@@](CO)(NCc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148645 460732005 /nfs/dbraw/zinc/73/20/05/460732005.db2.gz GDXPSMVXFUGHHW-AWEZNQCLSA-N 0 0 326.805 3.307 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cccc3nccnc32)cc1[N+](=O)[O-] ZINC000347839536 456396812 /nfs/dbraw/zinc/39/68/12/456396812.db2.gz CLDBHIIOEVJIBH-LBPRGKRZSA-N 0 0 336.351 3.337 10 5 EGBERN Nc1c(F)c(NCc2ccn(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000343141165 456429905 /nfs/dbraw/zinc/42/99/05/456429905.db2.gz PQTSEWFSVZVYBL-UHFFFAOYSA-N 0 0 341.346 3.173 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCCOc1ccc(F)cc1F)CCN2 ZINC000302905029 456433405 /nfs/dbraw/zinc/43/34/05/456433405.db2.gz VONGPNJAVAJPDT-UHFFFAOYSA-N 0 0 335.310 3.332 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000276574905 456519663 /nfs/dbraw/zinc/51/96/63/456519663.db2.gz KWGRYYFVIFUXFW-SNVBAGLBSA-N 0 0 328.796 3.084 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291211902 456566342 /nfs/dbraw/zinc/56/63/42/456566342.db2.gz VOKBQVVLMXZLTH-INIZCTEOSA-N 0 0 325.368 3.481 10 5 EGBERN CO[C@@H](C)c1nsc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000337882279 456585380 /nfs/dbraw/zinc/58/53/80/456585380.db2.gz VLFKAGNVKKLAKR-JTQLQIEISA-N 0 0 334.401 3.323 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@]12CCOC2 ZINC000311672778 456589685 /nfs/dbraw/zinc/58/96/85/456589685.db2.gz PRUNZARIDODFIF-ZDUSSCGKSA-N 0 0 327.178 3.117 10 5 EGBERN O=C1CCCN1CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000299172966 456625673 /nfs/dbraw/zinc/62/56/73/456625673.db2.gz YUSYHOHCCGNEJF-UHFFFAOYSA-N 0 0 331.294 3.038 10 5 EGBERN CC[C@H](NC(=O)NC[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291390560 456630687 /nfs/dbraw/zinc/63/06/87/456630687.db2.gz CQOKKJWHWYYXTN-DOTOQJQBSA-N 0 0 335.404 3.160 10 5 EGBERN CN(C[C@H]1CCCO1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291411076 456636854 /nfs/dbraw/zinc/63/68/54/456636854.db2.gz CFSFWKHUYQTWSZ-SECBINFHSA-N 0 0 333.171 3.153 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC=C(c2ccncc2)C1 ZINC000343579728 456720094 /nfs/dbraw/zinc/72/00/94/456720094.db2.gz DMVUOMSCXFQUTO-UHFFFAOYSA-N 0 0 348.362 3.401 10 5 EGBERN CCn1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299548367 456724796 /nfs/dbraw/zinc/72/47/96/456724796.db2.gz BJTMVKSYRLKMSG-NSHDSACASA-N 0 0 335.795 3.244 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1OCCc2ccccc21 ZINC000299572974 456732107 /nfs/dbraw/zinc/73/21/07/456732107.db2.gz BNILIAFBHMBNQG-SFHVURJKSA-N 0 0 340.379 3.289 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000291769091 456750900 /nfs/dbraw/zinc/75/09/00/456750900.db2.gz SNZPUVDONYMRON-GFCCVEGCSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccc2ncnc(N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000301076216 456790775 /nfs/dbraw/zinc/79/07/75/456790775.db2.gz DLBMSNLUWWBPGY-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC(c2nnc3ccccn32)CC1 ZINC000301147149 456807534 /nfs/dbraw/zinc/80/75/34/456807534.db2.gz BEMOHNIPHVNFSX-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccnc1 ZINC000277413550 456817527 /nfs/dbraw/zinc/81/75/27/456817527.db2.gz HYVMERIMVWZDPB-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000341723350 456915445 /nfs/dbraw/zinc/91/54/45/456915445.db2.gz SVBIHZWBXHZDLO-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN O=C(Nc1cccc(CNc2ccncc2[N+](=O)[O-])c1)c1ccccc1 ZINC000339056436 456919739 /nfs/dbraw/zinc/91/97/39/456919739.db2.gz KZNMQVQFTDIMMJ-UHFFFAOYSA-N 0 0 348.362 3.276 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000341819864 456958400 /nfs/dbraw/zinc/95/84/00/456958400.db2.gz BJQHWJXYKHPYEF-UHFFFAOYSA-N 0 0 332.747 3.243 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1csc(-c2ccccn2)n1 ZINC000353952382 456977638 /nfs/dbraw/zinc/97/76/38/456977638.db2.gz PHUAJKKCXSKCNV-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356466964 457003877 /nfs/dbraw/zinc/00/38/77/457003877.db2.gz BLJQURNORVXQCO-CJNGLKHVSA-N 0 0 332.381 3.125 10 5 EGBERN CCOCC(C)(C)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000341934116 457011242 /nfs/dbraw/zinc/01/12/42/457011242.db2.gz UIOKNMGFMWLJJU-OAHLLOKOSA-N 0 0 337.420 3.408 10 5 EGBERN COCCN(Cc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000362634646 457017388 /nfs/dbraw/zinc/01/73/88/457017388.db2.gz OZWDGJYXFDWKSG-UHFFFAOYSA-N 0 0 339.754 3.435 10 5 EGBERN O=[N+]([O-])c1ccc(CSc2nnnn2Cc2ccccc2)c(F)c1 ZINC000356550730 457050789 /nfs/dbraw/zinc/05/07/89/457050789.db2.gz RYWVSWHFKSHKRF-UHFFFAOYSA-N 0 0 345.359 3.061 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nc3sccc3c(=O)n2C)n1 ZINC000359087123 457051171 /nfs/dbraw/zinc/05/11/71/457051171.db2.gz WHTLHJWXZATRIU-UHFFFAOYSA-N 0 0 348.409 3.066 10 5 EGBERN COC(=O)c1ccc(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359087773 457051886 /nfs/dbraw/zinc/05/18/86/457051886.db2.gz YETIBGNXJGCGLY-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN CCOc1ccc(C(=O)NCC2(OCC)CCCC2)cc1[N+](=O)[O-] ZINC000356558787 457056023 /nfs/dbraw/zinc/05/60/23/457056023.db2.gz VKCIHZRFPJQREJ-UHFFFAOYSA-N 0 0 336.388 3.073 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000356744876 457146072 /nfs/dbraw/zinc/14/60/72/457146072.db2.gz YTISPPDQEFITBT-RYUDHWBXSA-N 0 0 347.415 3.123 10 5 EGBERN CCc1nc([C@@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013542 457194992 /nfs/dbraw/zinc/19/49/92/457194992.db2.gz CFEWAHBBLNCALE-HNNXBMFYSA-N 0 0 330.388 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000339682850 457211271 /nfs/dbraw/zinc/21/12/71/457211271.db2.gz LZEHBKQXKUEOHX-VIFPVBQESA-N 0 0 332.200 3.339 10 5 EGBERN C[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000342283301 457211551 /nfs/dbraw/zinc/21/15/51/457211551.db2.gz QKJVGDYXKVPWGM-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347075254 457217573 /nfs/dbraw/zinc/21/75/73/457217573.db2.gz ALGFEPDCDRHUOJ-XIKOKIGWSA-N 0 0 326.352 3.023 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000342318907 457234638 /nfs/dbraw/zinc/23/46/38/457234638.db2.gz BDJQBSQJNJLZPC-MRXNPFEDSA-N 0 0 332.404 3.214 10 5 EGBERN Cc1nc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000360089746 457249460 /nfs/dbraw/zinc/24/94/60/457249460.db2.gz VOAMANSSFMNBRK-JKSUJKDBSA-N 0 0 335.367 3.452 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000347160666 457262031 /nfs/dbraw/zinc/26/20/31/457262031.db2.gz SSACYSHRTAYEGB-JTQLQIEISA-N 0 0 345.346 3.030 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC1(C)C ZINC000339816713 457287828 /nfs/dbraw/zinc/28/78/28/457287828.db2.gz VERAMKNLOAZBNA-LLVKDONJSA-N 0 0 327.178 3.194 10 5 EGBERN Nc1nc(N[C@H]2CCc3c2ccc(Cl)c3Cl)ncc1[N+](=O)[O-] ZINC000354621777 457290794 /nfs/dbraw/zinc/29/07/94/457290794.db2.gz DCMBVNPCZRWRGQ-VIFPVBQESA-N 0 0 340.170 3.204 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000342428375 457299164 /nfs/dbraw/zinc/29/91/64/457299164.db2.gz JFSHJHLOMWHNHL-APPDUMDISA-N 0 0 342.351 3.246 10 5 EGBERN CCOc1ccc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)cc1F ZINC000347245448 457307547 /nfs/dbraw/zinc/30/75/47/457307547.db2.gz HUKJVOGKVDDSJI-UHFFFAOYSA-N 0 0 347.306 3.066 10 5 EGBERN CC[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000340064356 457324912 /nfs/dbraw/zinc/32/49/12/457324912.db2.gz GLOGDKXDQZLRFE-ZDUSSCGKSA-N 0 0 347.371 3.018 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000360857272 457387328 /nfs/dbraw/zinc/38/73/28/457387328.db2.gz IUKBSNKEKLBZMQ-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN Cc1c(CC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000424999697 457398929 /nfs/dbraw/zinc/39/89/29/457398929.db2.gz LGAUJWVZMLCMPM-FUHWJXTLSA-N 0 0 328.343 3.199 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2C[C@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000425004604 457403233 /nfs/dbraw/zinc/40/32/33/457403233.db2.gz NWXFWSGQKSNCMX-WMZOPIPTSA-N 0 0 344.342 3.036 10 5 EGBERN NC(=O)c1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000357310063 457436437 /nfs/dbraw/zinc/43/64/37/457436437.db2.gz FQMFCJYEADCJFG-CYBMUJFWSA-N 0 0 346.774 3.305 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342671263 457444496 /nfs/dbraw/zinc/44/44/96/457444496.db2.gz CHGJPOORCXTXMB-PXAZEXFGSA-N 0 0 335.404 3.294 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000360997146 457498583 /nfs/dbraw/zinc/49/85/83/457498583.db2.gz SAVMEJPJLBNBHR-JOYOIKCWSA-N 0 0 331.294 3.101 10 5 EGBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1c(C)noc1C ZINC000342755045 457501370 /nfs/dbraw/zinc/50/13/70/457501370.db2.gz QBJUIWHJVLRTOT-LBPRGKRZSA-N 0 0 348.359 3.253 10 5 EGBERN C[C@@H](CCc1ccco1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361031032 457526986 /nfs/dbraw/zinc/52/69/86/457526986.db2.gz VRMAWALONZIXSW-JTQLQIEISA-N 0 0 338.310 3.146 10 5 EGBERN Cn1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)n1 ZINC000342786690 457527439 /nfs/dbraw/zinc/52/74/39/457527439.db2.gz UNJOWWDMRXAMBH-SFHVURJKSA-N 0 0 340.358 3.347 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1coc2cc(F)ccc12 ZINC000356214097 457538722 /nfs/dbraw/zinc/53/87/22/457538722.db2.gz XJQFDVXEEKNPMN-UHFFFAOYSA-N 0 0 328.299 3.453 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000342825186 457543698 /nfs/dbraw/zinc/54/36/98/457543698.db2.gz OKVSDNOIBKUOOJ-NSHDSACASA-N 0 0 327.340 3.166 10 5 EGBERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448218 457557079 /nfs/dbraw/zinc/55/70/79/457557079.db2.gz RAUXJWAUZIJFHL-DDFAGTSDSA-N 0 0 343.221 3.091 10 5 EGBERN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000357561719 457595903 /nfs/dbraw/zinc/59/59/03/457595903.db2.gz XIESGNMYJQSLBK-CYBMUJFWSA-N 0 0 343.387 3.042 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000370345298 457625333 /nfs/dbraw/zinc/62/53/33/457625333.db2.gz KCXLVYTYXHZVSP-SFHVURJKSA-N 0 0 342.399 3.074 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000370572897 457675170 /nfs/dbraw/zinc/67/51/70/457675170.db2.gz WDHJKXGHYQIVQK-AWEZNQCLSA-N 0 0 344.371 3.084 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374711395 457691759 /nfs/dbraw/zinc/69/17/59/457691759.db2.gz HGJJSUQJQOUWHB-HNNXBMFYSA-N 0 0 340.383 3.395 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000374869020 457723350 /nfs/dbraw/zinc/72/33/50/457723350.db2.gz OZMCVJXVJBNBAC-QGZVFWFLSA-N 0 0 332.331 3.013 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000357905262 457729106 /nfs/dbraw/zinc/72/91/06/457729106.db2.gz DXOFKMQTUOPHSB-SECBINFHSA-N 0 0 330.369 3.034 10 5 EGBERN CC(C)c1nnc2n1CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]2C ZINC000374911878 457732794 /nfs/dbraw/zinc/73/27/94/457732794.db2.gz JVLIGJADSLGXED-LLVKDONJSA-N 0 0 333.367 3.026 10 5 EGBERN O=C(c1ccoc1C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361460190 457739189 /nfs/dbraw/zinc/73/91/89/457739189.db2.gz SJZXQFWMZPXSGH-UHFFFAOYSA-N 0 0 326.230 3.410 10 5 EGBERN CCCN(C(=O)c1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000410820864 457757644 /nfs/dbraw/zinc/75/76/44/457757644.db2.gz GFDVNRASRXWFII-UHFFFAOYSA-N 0 0 326.356 3.319 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000433273103 457796203 /nfs/dbraw/zinc/79/62/03/457796203.db2.gz YUFKYKGYQSREQG-MLGOLLRUSA-N 0 0 345.399 3.137 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(Cl)ccc(C)c32)n1 ZINC000411090528 457797920 /nfs/dbraw/zinc/79/79/20/457797920.db2.gz IAOJXYPPUGVOKD-UHFFFAOYSA-N 0 0 348.790 3.366 10 5 EGBERN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000366548722 457848007 /nfs/dbraw/zinc/84/80/07/457848007.db2.gz TYSKKUZMWRAKRA-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN CCN(CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000358238575 457879657 /nfs/dbraw/zinc/87/96/57/457879657.db2.gz RBLPJYNBIDVJGN-UHFFFAOYSA-N 0 0 339.193 3.080 10 5 EGBERN CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000375352578 457893710 /nfs/dbraw/zinc/89/37/10/457893710.db2.gz IMQCNJGGCUGDEZ-GOSISDBHSA-N 0 0 347.415 3.089 10 5 EGBERN Cc1ccc(C)c(OCCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411481739 457899478 /nfs/dbraw/zinc/89/94/78/457899478.db2.gz RBVLESNWUQVNLH-UHFFFAOYSA-N 0 0 341.411 3.434 10 5 EGBERN CNc1c(C(=O)NC2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000458177164 457955862 /nfs/dbraw/zinc/95/58/62/457955862.db2.gz GTVSOZRLGDHOMS-UHFFFAOYSA-N 0 0 327.331 3.190 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000375536080 457964073 /nfs/dbraw/zinc/96/40/73/457964073.db2.gz SRXOIVHZBZNCOR-OAHLLOKOSA-N 0 0 343.774 3.246 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(CC(F)F)CC1CCC1 ZINC000427384953 457980567 /nfs/dbraw/zinc/98/05/67/457980567.db2.gz QNXVBIGGZYYNEW-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)n1 ZINC000427387894 457981434 /nfs/dbraw/zinc/98/14/34/457981434.db2.gz WXJNUJPXYONUJH-LBPRGKRZSA-N 0 0 348.325 3.052 10 5 EGBERN O=C(NCc1nccs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861715 457989363 /nfs/dbraw/zinc/98/93/63/457989363.db2.gz UIYVXXQUKFHRIV-UHFFFAOYSA-N 0 0 335.388 3.068 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)c3c2cccc3F)n1 ZINC000427468631 457992179 /nfs/dbraw/zinc/99/21/79/457992179.db2.gz FKWABZJQFFYNHJ-UHFFFAOYSA-N 0 0 344.346 3.032 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000445067194 458011362 /nfs/dbraw/zinc/01/13/62/458011362.db2.gz SETUHHCDGFTTNI-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000427826458 458041219 /nfs/dbraw/zinc/04/12/19/458041219.db2.gz OBGBUCLQNBLWJS-UHFFFAOYSA-N 0 0 331.294 3.308 10 5 EGBERN C[C@@H]1CC(C)(C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412046387 458064260 /nfs/dbraw/zinc/06/42/60/458064260.db2.gz REBUDSAXANHSOG-SNVBAGLBSA-N 0 0 325.796 3.307 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1C ZINC000358604983 458104412 /nfs/dbraw/zinc/10/44/12/458104412.db2.gz GVAFSOSMNHYASO-LBPRGKRZSA-N 0 0 330.388 3.043 10 5 EGBERN O=C(NCCCc1nccs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362333077 458110866 /nfs/dbraw/zinc/11/08/66/458110866.db2.gz MEUKAOHYXGQYLD-UHFFFAOYSA-N 0 0 325.777 3.067 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412193140 458123854 /nfs/dbraw/zinc/12/38/54/458123854.db2.gz DYAIZHAAIWJPPE-SPUZQDLCSA-N 0 0 346.427 3.146 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3c(F)cc(F)c(F)c3F)nc2c1 ZINC000362365765 458127610 /nfs/dbraw/zinc/12/76/10/458127610.db2.gz PYEHXCDVUCOEMX-UHFFFAOYSA-N 0 0 340.236 3.062 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nccn1C(F)F ZINC000446029368 458130836 /nfs/dbraw/zinc/13/08/36/458130836.db2.gz SFTRNXHOVAHOOM-UHFFFAOYSA-N 0 0 344.705 3.078 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)c1ccccc1 ZINC000446182289 458160428 /nfs/dbraw/zinc/16/04/28/458160428.db2.gz FLONORFCGCLBRL-ZDUSSCGKSA-N 0 0 334.759 3.020 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000446344285 458180421 /nfs/dbraw/zinc/18/04/21/458180421.db2.gz ZKEKYMHUACYNQO-LBPRGKRZSA-N 0 0 346.770 3.159 10 5 EGBERN C[C@H](NC(=O)NC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458882534 458204679 /nfs/dbraw/zinc/20/46/79/458204679.db2.gz APKAGWIDMHXHKJ-ZDUSSCGKSA-N 0 0 335.404 3.040 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000412457084 458209311 /nfs/dbraw/zinc/20/93/11/458209311.db2.gz JKENFAUAXKUURG-YJBOKZPZSA-N 0 0 346.427 3.191 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1[N+](=O)[O-] ZINC000435874726 458216608 /nfs/dbraw/zinc/21/66/08/458216608.db2.gz NEEAAPUFFSHWHZ-CQSZACIVSA-N 0 0 342.351 3.084 10 5 EGBERN Cc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccn2)c1 ZINC000372316507 458275723 /nfs/dbraw/zinc/27/57/23/458275723.db2.gz NLTJVIBYSFPFQT-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000376400704 458288955 /nfs/dbraw/zinc/28/89/55/458288955.db2.gz MXFLXMRDVORTQG-GFCCVEGCSA-N 0 0 345.786 3.460 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000362596239 458291233 /nfs/dbraw/zinc/29/12/33/458291233.db2.gz LBJMZGLPRQDEDG-UHFFFAOYSA-N 0 0 332.331 3.080 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC2CCN(CC(F)(F)F)CC2)n1 ZINC000436423752 458302750 /nfs/dbraw/zinc/30/27/50/458302750.db2.gz VZZUJQHTELFRIA-UHFFFAOYSA-N 0 0 346.353 3.293 10 5 EGBERN CC(C)[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1cccnc1 ZINC000447678637 458328655 /nfs/dbraw/zinc/32/86/55/458328655.db2.gz LCSGBDRMUBHFFX-AWEZNQCLSA-N 0 0 325.372 3.140 10 5 EGBERN COCCN(Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447694989 458331252 /nfs/dbraw/zinc/33/12/52/458331252.db2.gz USTKFOMMQVBCPO-UHFFFAOYSA-N 0 0 326.356 3.124 10 5 EGBERN C[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447843949 458354661 /nfs/dbraw/zinc/35/46/61/458354661.db2.gz JLLSWPRQIJFYNG-ZDUSSCGKSA-N 0 0 340.445 3.373 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3COc4ccccc4C3)n2)s1 ZINC000373185768 458422365 /nfs/dbraw/zinc/42/23/65/458422365.db2.gz ALBYZJJSZPAAQD-SNVBAGLBSA-N 0 0 329.337 3.425 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000430215670 458423524 /nfs/dbraw/zinc/42/35/24/458423524.db2.gz CZMBMLDPOFQTQZ-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN CN(C(=O)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326446 458439402 /nfs/dbraw/zinc/43/94/02/458439402.db2.gz JWWSKOPVKKUVTH-AWEZNQCLSA-N 0 0 345.424 3.141 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000437419454 458452108 /nfs/dbraw/zinc/45/21/08/458452108.db2.gz PXQUMSFFUFYVSI-GFCCVEGCSA-N 0 0 340.383 3.397 10 5 EGBERN Cc1noc(C2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000378055538 458613931 /nfs/dbraw/zinc/61/39/31/458613931.db2.gz YLJXMOPFCKMQDY-UHFFFAOYSA-N 0 0 345.359 3.134 10 5 EGBERN Cc1c(CC(=O)NCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000439038660 458645521 /nfs/dbraw/zinc/64/55/21/458645521.db2.gz IHNNEUUACTZPMQ-UHFFFAOYSA-N 0 0 335.363 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)c2ccncc21 ZINC000439084830 458652466 /nfs/dbraw/zinc/65/24/66/458652466.db2.gz HOZBDNKZNGIZSU-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN COc1ncccc1N(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439165308 458665016 /nfs/dbraw/zinc/66/50/16/458665016.db2.gz HPMBNRLXPUGWKA-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439280907 458683056 /nfs/dbraw/zinc/68/30/56/458683056.db2.gz SXLRTUGZECBYSS-NWDGAFQWSA-N 0 0 338.791 3.137 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439307324 458687778 /nfs/dbraw/zinc/68/77/78/458687778.db2.gz XHSUCLOCCXZEBJ-KGLIPLIRSA-N 0 0 333.388 3.184 10 5 EGBERN COc1cc(Cc2noc(-c3nc(C)sc3C)n2)ccc1[N+](=O)[O-] ZINC000547189370 458706008 /nfs/dbraw/zinc/70/60/08/458706008.db2.gz CNCYEPLMXBOVBF-UHFFFAOYSA-N 0 0 346.368 3.318 10 5 EGBERN CN1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000456601988 458728169 /nfs/dbraw/zinc/72/81/69/458728169.db2.gz GYRMSVXSYHKCPN-QGZVFWFLSA-N 0 0 339.395 3.225 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000440154712 458788482 /nfs/dbraw/zinc/78/84/82/458788482.db2.gz FPPUHPYWLKVMLB-NEPJUHHUSA-N 0 0 338.791 3.137 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Cc1ccccc1 ZINC000440991216 458873596 /nfs/dbraw/zinc/87/35/96/458873596.db2.gz OAFIWIMBIJLPMI-LLVKDONJSA-N 0 0 346.770 3.178 10 5 EGBERN O=C1C[C@H](c2cccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CN1 ZINC000566475278 458944231 /nfs/dbraw/zinc/94/42/31/458944231.db2.gz XIOJPZIAMXEADT-GUYCJALGSA-N 0 0 337.379 3.298 10 5 EGBERN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531633263 458949970 /nfs/dbraw/zinc/94/99/70/458949970.db2.gz SDCAJEHDDCMKPG-UHFFFAOYSA-N 0 0 327.218 3.141 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475613138 458954827 /nfs/dbraw/zinc/95/48/27/458954827.db2.gz AIVHMUCSTRMLMD-QLTJYVKOSA-N 0 0 346.427 3.268 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cc(Cl)ccc2O1 ZINC000531882568 458994048 /nfs/dbraw/zinc/99/40/48/458994048.db2.gz DZDXSWPFRGZQAC-SECBINFHSA-N 0 0 333.731 3.071 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000476857476 459020195 /nfs/dbraw/zinc/02/01/95/459020195.db2.gz VSQZXJBNEFNNDO-CMPLNLGQSA-N 0 0 345.321 3.467 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccccc1Cn1cccn1 ZINC000567145551 459054203 /nfs/dbraw/zinc/05/42/03/459054203.db2.gz ZSCRWTZTVGBZCC-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN Cc1nn(CCC(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000520414035 459057368 /nfs/dbraw/zinc/05/73/68/459057368.db2.gz FVXOCCJOQHJOLZ-JGVXXWTJSA-N 0 0 348.447 3.129 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(C2CC2)C1 ZINC000589991000 459061663 /nfs/dbraw/zinc/06/16/63/459061663.db2.gz RJFJDVXRHXOTKL-UHFFFAOYSA-N 0 0 326.805 3.209 10 5 EGBERN Nc1cc(NC[C@@H](c2ccccc2)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000590061090 459074560 /nfs/dbraw/zinc/07/45/60/459074560.db2.gz KKNYMGBVFUNDJG-INIZCTEOSA-N 0 0 327.384 3.275 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000594552668 459086721 /nfs/dbraw/zinc/08/67/21/459086721.db2.gz FJKJITSDKACKCP-AWEZNQCLSA-N 0 0 337.420 3.187 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000567406743 459102564 /nfs/dbraw/zinc/10/25/64/459102564.db2.gz QVUJKVXGWGJCKH-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCCCO1 ZINC000594598013 459103194 /nfs/dbraw/zinc/10/31/94/459103194.db2.gz FXHRGSGFTXMQID-WBMJQRKESA-N 0 0 333.388 3.239 10 5 EGBERN COC(=O)c1cc(C)nc(NC(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000557765358 459105900 /nfs/dbraw/zinc/10/59/00/459105900.db2.gz XRDVXJPLEOMRCK-UHFFFAOYSA-N 0 0 333.388 3.466 10 5 EGBERN COc1ccc2c(c1)CN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000594610298 459112143 /nfs/dbraw/zinc/11/21/43/459112143.db2.gz ASKWBPNXEJSMNB-UHFFFAOYSA-N 0 0 344.367 3.136 10 5 EGBERN Cc1cn2c(nc(C)c2CNC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000590402562 459125103 /nfs/dbraw/zinc/12/51/03/459125103.db2.gz BXGWBNMZUBKPLB-UHFFFAOYSA-N 0 0 344.396 3.159 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2cc(F)c(F)cc21 ZINC000532662836 459125487 /nfs/dbraw/zinc/12/54/87/459125487.db2.gz HZJSWLXVILSKMK-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590445518 459132060 /nfs/dbraw/zinc/13/20/60/459132060.db2.gz UJBYDJKKXSRCDK-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN Cc1cc(C(=O)N2CC(F)(c3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC000590445942 459132528 /nfs/dbraw/zinc/13/25/28/459132528.db2.gz WQTYSSRNUMOHIO-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590557175 459147835 /nfs/dbraw/zinc/14/78/35/459147835.db2.gz SDCAYSCXLZFDEM-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753356 459152280 /nfs/dbraw/zinc/15/22/80/459152280.db2.gz JIMOZKUZUXPKDV-OAHLLOKOSA-N 0 0 349.412 3.008 10 5 EGBERN CCc1nc([C@@H]2CCCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000590686285 459180659 /nfs/dbraw/zinc/18/06/59/459180659.db2.gz XUVGZJUWMJBPNO-ZDUSSCGKSA-N 0 0 342.359 3.148 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000480735750 459216614 /nfs/dbraw/zinc/21/66/14/459216614.db2.gz XATLKOZMOHBLTL-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064157 459232785 /nfs/dbraw/zinc/23/27/85/459232785.db2.gz DRTLRSUVRBDWBN-ONERCXAPSA-N 0 0 327.388 3.204 10 5 EGBERN C[C@](O)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000481356876 459246776 /nfs/dbraw/zinc/24/67/76/459246776.db2.gz DBBJMXXHGKNFMO-SFHVURJKSA-N 0 0 346.383 3.402 10 5 EGBERN CSc1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000595288686 459267903 /nfs/dbraw/zinc/26/79/03/459267903.db2.gz RSFRKZRKZWCKPO-UHFFFAOYSA-N 0 0 344.440 3.034 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000595394366 459290761 /nfs/dbraw/zinc/29/07/61/459290761.db2.gz VVSZJNPSGVUQHI-OAHLLOKOSA-N 0 0 344.342 3.401 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000523404020 459297701 /nfs/dbraw/zinc/29/77/01/459297701.db2.gz ZJRQRPFIJZUQEM-NSHDSACASA-N 0 0 331.347 3.158 10 5 EGBERN COCCn1nc(C)c(Nc2ccc3ncccc3c2[N+](=O)[O-])c1C ZINC000534270776 459303999 /nfs/dbraw/zinc/30/39/99/459303999.db2.gz XBBKMOFOANUEKB-UHFFFAOYSA-N 0 0 341.371 3.346 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595478559 459317633 /nfs/dbraw/zinc/31/76/33/459317633.db2.gz AIAIXNWAGJPUBB-UONOGXRCSA-N 0 0 347.415 3.399 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595479234 459317913 /nfs/dbraw/zinc/31/79/13/459317913.db2.gz DSGWGVMHRKLRCT-DOMZBBRYSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595481542 459319313 /nfs/dbraw/zinc/31/93/13/459319313.db2.gz PNLGEXPRVBFKAO-SKDRFNHKSA-N 0 0 327.331 3.246 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595543295 459340619 /nfs/dbraw/zinc/34/06/19/459340619.db2.gz JGVIIUVDQOCLJV-HZSPNIEDSA-N 0 0 335.404 3.173 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000595544195 459341355 /nfs/dbraw/zinc/34/13/55/459341355.db2.gz NDVPCYZMTOLVQO-VNHYZAJKSA-N 0 0 335.404 3.221 10 5 EGBERN Cc1noc(CN2CCC[C@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547868 459342547 /nfs/dbraw/zinc/34/25/47/459342547.db2.gz QEFKJYFFSMVNLE-ZDUSSCGKSA-N 0 0 337.326 3.377 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549327 459342754 /nfs/dbraw/zinc/34/27/54/459342754.db2.gz CNBZBAFSGGOTMH-INIZCTEOSA-N 0 0 345.374 3.481 10 5 EGBERN COC(=O)c1cc(OCc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000524534589 459370254 /nfs/dbraw/zinc/37/02/54/459370254.db2.gz BMNWKUDFOCFJJM-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN Cc1c(NC(=O)CCN[C@@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000595667337 459389391 /nfs/dbraw/zinc/38/93/91/459389391.db2.gz GRZMKDSHDGVVIN-NSHDSACASA-N 0 0 334.401 3.039 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](OC(F)F)C2)c1 ZINC000561021004 459412479 /nfs/dbraw/zinc/41/24/79/459412479.db2.gz DGBRTRPCXRDKQS-JTQLQIEISA-N 0 0 338.257 3.010 10 5 EGBERN O=C(CN1CCC[C@@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755373 459427604 /nfs/dbraw/zinc/42/76/04/459427604.db2.gz MEEMOCAYRQZAGJ-NSHDSACASA-N 0 0 343.786 3.258 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000595757251 459428346 /nfs/dbraw/zinc/42/83/46/459428346.db2.gz CBLSENNQJGECJU-QGZVFWFLSA-N 0 0 334.322 3.447 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595782791 459438024 /nfs/dbraw/zinc/43/80/24/459438024.db2.gz MDWXEGGZLOLKQD-WQVCFCJDSA-N 0 0 335.404 3.303 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000595798302 459444912 /nfs/dbraw/zinc/44/49/12/459444912.db2.gz AUCREUOQFWLNSF-GFCCVEGCSA-N 0 0 327.331 3.028 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000595885416 459474567 /nfs/dbraw/zinc/47/45/67/459474567.db2.gz HIDOVNPAPWPQRB-VIFPVBQESA-N 0 0 340.248 3.026 10 5 EGBERN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888205 459475178 /nfs/dbraw/zinc/47/51/78/459475178.db2.gz CVMUDOROPANFRK-FZMZJTMJSA-N 0 0 348.321 3.015 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595891280 459476747 /nfs/dbraw/zinc/47/67/47/459476747.db2.gz PKKGONGDIORXFJ-ZWNOBZJWSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1OCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C(F)(F)F ZINC000595895140 459479807 /nfs/dbraw/zinc/47/98/07/459479807.db2.gz CTOVOXFZUICHSI-MADCSZMMSA-N 0 0 340.248 3.025 10 5 EGBERN C[C@@H]1[C@@H](CO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486002025 459482320 /nfs/dbraw/zinc/48/23/20/459482320.db2.gz KFLLGDJVHVDEBH-CZUORRHYSA-N 0 0 340.379 3.033 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3nc4ccccc4cc3[N+](=O)[O-])cc21 ZINC000486019089 459483761 /nfs/dbraw/zinc/48/37/61/459483761.db2.gz UYYOFVXLBSFKGX-UHFFFAOYSA-N 0 0 346.346 3.160 10 5 EGBERN C[S@](=O)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000591922126 459485205 /nfs/dbraw/zinc/48/52/05/459485205.db2.gz QRPZNGNNTPPZLM-DEOSSOPVSA-N 0 0 345.424 3.218 10 5 EGBERN C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000591963143 459499445 /nfs/dbraw/zinc/49/94/45/459499445.db2.gz OZMXVIJBGRLPIA-SECBINFHSA-N 0 0 349.765 3.381 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)N(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000486484573 459505743 /nfs/dbraw/zinc/50/57/43/459505743.db2.gz SYIABCQQNQCQET-ZFWWWQNUSA-N 0 0 337.383 3.328 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc1OCc1ccccc1 ZINC000486501974 459507303 /nfs/dbraw/zinc/50/73/03/459507303.db2.gz YDDJLSYONLVWIW-XOIINTDNSA-N 0 0 325.368 3.201 10 5 EGBERN CCOC(=O)c1ccnc(N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000591992976 459507541 /nfs/dbraw/zinc/50/75/41/459507541.db2.gz JIEFVJPVRZTFII-HNNXBMFYSA-N 0 0 345.399 3.348 10 5 EGBERN CCOC(=O)c1ccnc(N2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000591997537 459508964 /nfs/dbraw/zinc/50/89/64/459508964.db2.gz AGYDLRDCIFTDJL-AWEZNQCLSA-N 0 0 333.388 3.326 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596153839 459539712 /nfs/dbraw/zinc/53/97/12/459539712.db2.gz ALSIKPBFUYWWOK-UHFFFAOYSA-N 0 0 344.820 3.367 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(F)c(F)c1F ZINC000542260448 459541059 /nfs/dbraw/zinc/54/10/59/459541059.db2.gz ZEUAUZWTQGKRMA-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCC1(CCO)CCC1 ZINC000596166143 459544833 /nfs/dbraw/zinc/54/48/33/459544833.db2.gz QKAPQCCNQJTONQ-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596170492 459546586 /nfs/dbraw/zinc/54/65/86/459546586.db2.gz SCZPQAVOBDUYOT-SECBINFHSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596181504 459550469 /nfs/dbraw/zinc/55/04/69/459550469.db2.gz FQSVETKIKLCGEQ-RKDXNWHRSA-N 0 0 328.752 3.014 10 5 EGBERN CSC1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCOCC1 ZINC000583561131 459559568 /nfs/dbraw/zinc/55/95/68/459559568.db2.gz BYPYGXHDYFJGKZ-UHFFFAOYSA-N 0 0 337.445 3.193 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@@H]1C(F)(F)F ZINC000596206033 459559950 /nfs/dbraw/zinc/55/99/50/459559950.db2.gz GFFIATIJWCMLHY-LBPRGKRZSA-N 0 0 345.321 3.109 10 5 EGBERN Cc1nn(Cc2ccc(C(=O)N3[C@H](C)C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000526932265 459560182 /nfs/dbraw/zinc/56/01/82/459560182.db2.gz JAYFAEULDKCKGQ-TXEJJXNPSA-N 0 0 342.399 3.079 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)(CC(F)F)C1 ZINC000592248999 459560620 /nfs/dbraw/zinc/56/06/20/459560620.db2.gz GKUBLPFZYQDDNG-UHFFFAOYSA-N 0 0 329.303 3.112 10 5 EGBERN O=c1[nH]ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596222520 459566047 /nfs/dbraw/zinc/56/60/47/459566047.db2.gz UYVWGJAKDXJNHJ-JTQLQIEISA-N 0 0 331.294 3.254 10 5 EGBERN COc1ccc(CN2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000542647199 459578356 /nfs/dbraw/zinc/57/83/56/459578356.db2.gz AOQBEHNHORDYPL-GOSISDBHSA-N 0 0 334.416 3.385 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000596267025 459579904 /nfs/dbraw/zinc/57/99/04/459579904.db2.gz YFJMKHOVUBZIHF-IUCAKERBSA-N 0 0 328.752 3.014 10 5 EGBERN COc1cc(N2CCC([C@H](C)CO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596293950 459588148 /nfs/dbraw/zinc/58/81/48/459588148.db2.gz UDOBCUDJTFQZDE-SNVBAGLBSA-N 0 0 328.796 3.102 10 5 EGBERN COC[C@H](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)OC ZINC000596319541 459595342 /nfs/dbraw/zinc/59/53/42/459595342.db2.gz AVTBQGACAPLJBJ-ZDUSSCGKSA-N 0 0 326.393 3.236 10 5 EGBERN CC[C@H](COCC1CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596326800 459597310 /nfs/dbraw/zinc/59/73/10/459597310.db2.gz LVJCHADASZBNJE-SNVBAGLBSA-N 0 0 344.209 3.369 10 5 EGBERN C[C@@]1(C2CC2)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596335914 459600546 /nfs/dbraw/zinc/60/05/46/459600546.db2.gz SPQQAMJHLCDLBM-HNNXBMFYSA-N 0 0 328.315 3.202 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ncnn21 ZINC000596344067 459602754 /nfs/dbraw/zinc/60/27/54/459602754.db2.gz CQYMKOQUAGYKCE-XCBNKYQSSA-N 0 0 327.266 3.323 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000543179070 459630556 /nfs/dbraw/zinc/63/05/56/459630556.db2.gz WFMTWXYPRKHXNY-CQSZACIVSA-N 0 0 327.384 3.180 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC(C4CCC4)CC3)c([N+](=O)[O-])cc21 ZINC000596429540 459634767 /nfs/dbraw/zinc/63/47/67/459634767.db2.gz YCVVHDHWPSISPL-UHFFFAOYSA-N 0 0 328.372 3.260 10 5 EGBERN C[C@]1(C2CC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596448029 459639717 /nfs/dbraw/zinc/63/97/17/459639717.db2.gz YGXBFTVSHOXIRA-OAHLLOKOSA-N 0 0 339.779 3.281 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000596447911 459639724 /nfs/dbraw/zinc/63/97/24/459639724.db2.gz WWQXJITZNMQQEE-AWEZNQCLSA-N 0 0 333.319 3.080 10 5 EGBERN O=[N+]([O-])c1cc(NCCO[C@H]2CC2(F)F)ccc1C(F)(F)F ZINC000596447956 459639820 /nfs/dbraw/zinc/63/98/20/459639820.db2.gz OVXJDESSRDXNOC-JTQLQIEISA-N 0 0 326.221 3.450 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000596454840 459641481 /nfs/dbraw/zinc/64/14/81/459641481.db2.gz PIQULWCSLRTZDV-CYBMUJFWSA-N 0 0 349.416 3.047 10 5 EGBERN Cc1cc(N2CCC[C@](O)(C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596464335 459645553 /nfs/dbraw/zinc/64/55/53/459645553.db2.gz WPUMBMJTCGVNDH-GOSISDBHSA-N 0 0 327.384 3.193 10 5 EGBERN C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000596472965 459648928 /nfs/dbraw/zinc/64/89/28/459648928.db2.gz DFDONMSIHAMWGO-UKRRQHHQSA-N 0 0 347.415 3.200 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000596472081 459649525 /nfs/dbraw/zinc/64/95/25/459649525.db2.gz BMJGQMZPUIEXPP-GJZGRUSLSA-N 0 0 330.388 3.104 10 5 EGBERN C[C@]1(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1(F)F ZINC000596475066 459649604 /nfs/dbraw/zinc/64/96/04/459649604.db2.gz GNMIOJWDMNVEBI-HNNXBMFYSA-N 0 0 339.342 3.334 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000596480046 459651032 /nfs/dbraw/zinc/65/10/32/459651032.db2.gz YXSIKVOIMFERIB-NXEZZACHSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCc3ccc(O)cc32)cc(C)c1[N+](=O)[O-] ZINC000596487784 459654547 /nfs/dbraw/zinc/65/45/47/459654547.db2.gz FBBYLSDANGEVMY-INIZCTEOSA-N 0 0 342.351 3.495 10 5 EGBERN COC(=O)C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000596491633 459655544 /nfs/dbraw/zinc/65/55/44/459655544.db2.gz GZGWULAOGUWRMM-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCC2 ZINC000596493058 459656169 /nfs/dbraw/zinc/65/61/69/459656169.db2.gz GHCWMYXTKBTJAV-HUUCEWRRSA-N 0 0 349.431 3.208 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596496427 459657059 /nfs/dbraw/zinc/65/70/59/459657059.db2.gz GPSGUPFKXIEWSI-CALCHBBNSA-N 0 0 349.362 3.158 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(COC)CC1 ZINC000592672034 459661263 /nfs/dbraw/zinc/66/12/63/459661263.db2.gz MFOQIRIPSXGXOJ-OAHLLOKOSA-N 0 0 334.416 3.096 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(COC)CC1 ZINC000592672002 459661587 /nfs/dbraw/zinc/66/15/87/459661587.db2.gz MFOQIRIPSXGXOJ-HNNXBMFYSA-N 0 0 334.416 3.096 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2OC)CC1 ZINC000592675397 459661984 /nfs/dbraw/zinc/66/19/84/459661984.db2.gz CEMNDLOXFMIKAW-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@H]3C[C@H](O)C34CCC4)n2)cc1 ZINC000596515546 459662554 /nfs/dbraw/zinc/66/25/54/459662554.db2.gz ZKKFIXAQLDZWNU-KBPBESRZSA-N 0 0 331.397 3.434 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000592694735 459669180 /nfs/dbraw/zinc/66/91/80/459669180.db2.gz FYDXYQJFWXSQQN-CHWSQXEVSA-N 0 0 334.420 3.100 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000592697126 459669530 /nfs/dbraw/zinc/66/95/30/459669530.db2.gz OQYJBWUNVCRQKE-TXEJJXNPSA-N 0 0 343.383 3.219 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)s1 ZINC000596545569 459672217 /nfs/dbraw/zinc/67/22/17/459672217.db2.gz SSZLOXKWYPCHON-DDTOSNHZSA-N 0 0 342.355 3.489 10 5 EGBERN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@](C)(C(F)F)O1 ZINC000596572515 459682195 /nfs/dbraw/zinc/68/21/95/459682195.db2.gz FGDFZCILORXBEM-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000596572826 459682358 /nfs/dbraw/zinc/68/23/58/459682358.db2.gz GXVGQRPSJMXBKI-NSHDSACASA-N 0 0 341.367 3.192 10 5 EGBERN COc1cc(Cc2noc([C@H]3CCC3(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000596596825 459690611 /nfs/dbraw/zinc/69/06/11/459690611.db2.gz GGOLYSFLTILTCE-GFCCVEGCSA-N 0 0 347.371 3.489 10 5 EGBERN CCOc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596596713 459690642 /nfs/dbraw/zinc/69/06/42/459690642.db2.gz DJTXIQLPWMKZMY-UHFFFAOYSA-N 0 0 344.415 3.301 10 5 EGBERN Cc1ccc(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000596626947 459703191 /nfs/dbraw/zinc/70/31/91/459703191.db2.gz SIWYGMHFNVBRKP-BXKDBHETSA-N 0 0 347.293 3.087 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000584293688 459703601 /nfs/dbraw/zinc/70/36/01/459703601.db2.gz PJCKMTWVSAWUJH-SWLSCSKDSA-N 0 0 348.399 3.035 10 5 EGBERN CCc1n[nH]c(C(=O)NC2(c3cccc(Cl)c3)CCC2)c1[N+](=O)[O-] ZINC000592894773 459714277 /nfs/dbraw/zinc/71/42/77/459714277.db2.gz OBLBIIZXJZIWDR-UHFFFAOYSA-N 0 0 348.790 3.343 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592900430 459715843 /nfs/dbraw/zinc/71/58/43/459715843.db2.gz WODFXCULTZXEAU-UHFFFAOYSA-N 0 0 347.346 3.107 10 5 EGBERN CCCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCc2ncsc2C1 ZINC000592902843 459716891 /nfs/dbraw/zinc/71/68/91/459716891.db2.gz SSCQTYSWUPTJJI-LLVKDONJSA-N 0 0 348.428 3.179 10 5 EGBERN CC(C)[C@H]1N(C(=O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592901561 459717122 /nfs/dbraw/zinc/71/71/22/459717122.db2.gz KVKBKEIPPMMCIC-QGZVFWFLSA-N 0 0 330.384 3.177 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000592903580 459717925 /nfs/dbraw/zinc/71/79/25/459717925.db2.gz WBMKHQBAYHYXGK-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN O=C([O-])[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658780 459718389 /nfs/dbraw/zinc/71/83/89/459718389.db2.gz VBKVWZHFRVSZQC-USXIJHARSA-N 0 0 346.427 3.397 10 5 EGBERN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596665836 459720661 /nfs/dbraw/zinc/72/06/61/459720661.db2.gz RJPGOAHDFLFHAB-ZDUSSCGKSA-N 0 0 342.399 3.328 10 5 EGBERN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596665835 459721123 /nfs/dbraw/zinc/72/11/23/459721123.db2.gz RJPGOAHDFLFHAB-CYBMUJFWSA-N 0 0 342.399 3.328 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000592950648 459722862 /nfs/dbraw/zinc/72/28/62/459722862.db2.gz YKNCRZFMBFVZNM-VIFPVBQESA-N 0 0 334.351 3.053 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000544067969 459723366 /nfs/dbraw/zinc/72/33/66/459723366.db2.gz WGXZUILFMCSMDA-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CCc1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1F ZINC000501723247 459741031 /nfs/dbraw/zinc/74/10/31/459741031.db2.gz ZDDCXEJQXIEEAA-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593032017 459747238 /nfs/dbraw/zinc/74/72/38/459747238.db2.gz QBPOPZDSSFREGX-QZTJIDSGSA-N 0 0 343.427 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCn2c(CC3CC3)nnc2C1 ZINC000593053963 459757301 /nfs/dbraw/zinc/75/73/01/459757301.db2.gz PDQXBFYWDLOFFG-ZDUSSCGKSA-N 0 0 341.415 3.024 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000563295273 459758223 /nfs/dbraw/zinc/75/82/23/459758223.db2.gz JSSXRQOFDBSUGN-GWCFXTLKSA-N 0 0 336.413 3.336 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596787404 459763061 /nfs/dbraw/zinc/76/30/61/459763061.db2.gz HHRVPMYZEPSFEH-CALCHBBNSA-N 0 0 333.388 3.102 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ncn(C2CCCCC2)n1 ZINC000593121579 459779890 /nfs/dbraw/zinc/77/98/90/459779890.db2.gz DMXRAODGNODVRC-UHFFFAOYSA-N 0 0 347.350 3.012 10 5 EGBERN Cc1c(NC(=O)N[C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593135941 459784873 /nfs/dbraw/zinc/78/48/73/459784873.db2.gz PCQWCNZRKSLAJJ-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cscn1 ZINC000596888917 459788125 /nfs/dbraw/zinc/78/81/25/459788125.db2.gz CJPSNAHXQWIDKE-VIFPVBQESA-N 0 0 336.373 3.333 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596931547 459798959 /nfs/dbraw/zinc/79/89/59/459798959.db2.gz QVOUHLFQUDEZSV-AWEZNQCLSA-N 0 0 347.415 3.084 10 5 EGBERN CCOC1CC(CSCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000593195703 459803519 /nfs/dbraw/zinc/80/35/19/459803519.db2.gz ITXVOHKKRBUVOJ-UHFFFAOYSA-N 0 0 339.413 3.430 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000545171274 459806626 /nfs/dbraw/zinc/80/66/26/459806626.db2.gz QLAKLYHWBLTTTQ-ZDUSSCGKSA-N 0 0 337.401 3.052 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237780 459816077 /nfs/dbraw/zinc/81/60/77/459816077.db2.gz TWURAQSSMSJHDO-UHFFFAOYSA-N 0 0 332.253 3.101 10 5 EGBERN Cc1cc(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000566160694 459817155 /nfs/dbraw/zinc/81/71/55/459817155.db2.gz OKDOGZJXVZTCOW-DGCLKSJQSA-N 0 0 335.404 3.102 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCCOC1 ZINC000593294768 459832823 /nfs/dbraw/zinc/83/28/23/459832823.db2.gz IWAIQJWRXZNVCN-RDJZCZTQSA-N 0 0 334.416 3.191 10 5 EGBERN C[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)CC(F)F ZINC000597090332 459835312 /nfs/dbraw/zinc/83/53/12/459835312.db2.gz JWBMRXOJZSZPET-LURJTMIESA-N 0 0 336.726 3.243 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1(F)F ZINC000597091868 459835340 /nfs/dbraw/zinc/83/53/40/459835340.db2.gz DFTXYVJBPPRLSV-SSDOTTSWSA-N 0 0 348.737 3.339 10 5 EGBERN Nc1c(NC(=O)NC[C@@H]2CCCC2(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597090418 459835435 /nfs/dbraw/zinc/83/54/35/459835435.db2.gz MGWGWQGGNLWJGU-ZETCQYMHSA-N 0 0 348.737 3.387 10 5 EGBERN C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094338 459836173 /nfs/dbraw/zinc/83/61/73/459836173.db2.gz DUGXOGNXVBGWOJ-SECBINFHSA-N 0 0 326.784 3.484 10 5 EGBERN Nc1c(NC(=O)NC[C@H]2CCCCS2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102860 459837033 /nfs/dbraw/zinc/83/70/33/459837033.db2.gz ZHTZSQHMKDLGEY-SECBINFHSA-N 0 0 344.824 3.238 10 5 EGBERN CCC(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000545564784 459838529 /nfs/dbraw/zinc/83/85/29/459838529.db2.gz MLJXOPKBZZSTCT-UHFFFAOYSA-N 0 0 339.311 3.055 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)COCC1CC1 ZINC000593332435 459849399 /nfs/dbraw/zinc/84/93/99/459849399.db2.gz MRQXWWGISRVYIS-SNVBAGLBSA-N 0 0 326.780 3.102 10 5 EGBERN C[C@H](NC(=O)C1(Nc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000602135301 459851753 /nfs/dbraw/zinc/85/17/53/459851753.db2.gz ZMEVSAOZLZTENT-ZDUSSCGKSA-N 0 0 325.368 3.417 10 5 EGBERN COC(=O)c1ccc(CSCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000586750056 459861095 /nfs/dbraw/zinc/86/10/95/459861095.db2.gz AZQQPISCASOANL-UHFFFAOYSA-N 0 0 348.380 3.089 10 5 EGBERN COc1cc(C(=O)NC2CCC3(CC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC000598317782 459863537 /nfs/dbraw/zinc/86/35/37/459863537.db2.gz NLTMZUJJNKPJKL-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN CC(C)(C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598340788 459871864 /nfs/dbraw/zinc/87/18/64/459871864.db2.gz LRNIKNCPRVOYLY-LBPRGKRZSA-N 0 0 344.333 3.419 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598345507 459873444 /nfs/dbraw/zinc/87/34/44/459873444.db2.gz DVZZIGMANZDYKZ-HOTGVXAUSA-N 0 0 348.424 3.453 10 5 EGBERN C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212616 459879075 /nfs/dbraw/zinc/87/90/75/459879075.db2.gz VXFQSFRKIACOAJ-KSSFIOAISA-N 0 0 328.368 3.323 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nccn2C(C)C)c1 ZINC000593421110 459884620 /nfs/dbraw/zinc/88/46/20/459884620.db2.gz RYYUEUOJANIWCK-UHFFFAOYSA-N 0 0 335.385 3.451 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C2CCC2)C1 ZINC000598398956 459889920 /nfs/dbraw/zinc/88/99/20/459889920.db2.gz GUZJMRFMBWBBDR-LBPRGKRZSA-N 0 0 328.372 3.123 10 5 EGBERN Cc1ccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587115778 459891174 /nfs/dbraw/zinc/89/11/74/459891174.db2.gz DINNXGXVRFWYQP-KRWDZBQOSA-N 0 0 327.384 3.319 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC000587579009 459893231 /nfs/dbraw/zinc/89/32/31/459893231.db2.gz HEPDJEWEHIOHJU-UHFFFAOYSA-N 0 0 327.340 3.087 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000608974564 459897977 /nfs/dbraw/zinc/89/79/77/459897977.db2.gz KHFCFOOQYIGRHA-LBPRGKRZSA-N 0 0 332.791 3.004 10 5 EGBERN Nc1cc(NCC2(c3ccccc3Cl)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588008921 459901743 /nfs/dbraw/zinc/90/17/43/459901743.db2.gz GJMWRHRDLSYBRW-UHFFFAOYSA-N 0 0 347.802 3.466 10 5 EGBERN CC[C@@H]1Cc2ccccc2CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588018905 459903499 /nfs/dbraw/zinc/90/34/99/459903499.db2.gz HBDYENAPLSRSNM-OAHLLOKOSA-N 0 0 327.384 3.011 10 5 EGBERN Cc1cc(N2CC[C@H](C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588040902 459904942 /nfs/dbraw/zinc/90/49/42/459904942.db2.gz WEPJCMOTEAACAK-LBPRGKRZSA-N 0 0 334.326 3.452 10 5 EGBERN COC(=O)c1cc(C(=O)N(CCC2CC2)CC2CC2)cc([N+](=O)[O-])c1 ZINC000598466661 459904903 /nfs/dbraw/zinc/90/49/03/459904903.db2.gz SFHWMJDURMOGNT-UHFFFAOYSA-N 0 0 346.383 3.034 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000598469561 459905464 /nfs/dbraw/zinc/90/54/64/459905464.db2.gz OKSQKDWLBZMNSA-AWEZNQCLSA-N 0 0 340.379 3.405 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCCC[C@@H]1CCO ZINC000588049067 459905946 /nfs/dbraw/zinc/90/59/46/459905946.db2.gz DSCMCUCUFMXGTJ-GFCCVEGCSA-N 0 0 343.221 3.489 10 5 EGBERN Cc1c(Br)c(SCc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000593504023 459908447 /nfs/dbraw/zinc/90/84/47/459908447.db2.gz BVEWWOGCLBXEDB-UHFFFAOYSA-N 0 0 343.206 3.087 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609166864 459917437 /nfs/dbraw/zinc/91/74/37/459917437.db2.gz JFLMQDLYVIBSAI-KGLIPLIRSA-N 0 0 328.372 3.083 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CCc3cccc(Cl)c3)n2)nc1 ZINC000546487235 459924301 /nfs/dbraw/zinc/92/43/01/459924301.db2.gz HRCJDFQCEVGOGM-UHFFFAOYSA-N 0 0 344.758 3.402 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598538362 459932840 /nfs/dbraw/zinc/93/28/40/459932840.db2.gz BHMYDEFHWRJHDZ-DYVFJYSZSA-N 0 0 342.395 3.111 10 5 EGBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598573989 459944600 /nfs/dbraw/zinc/94/46/00/459944600.db2.gz DOGRQRFCCVBLSU-SNVBAGLBSA-N 0 0 332.381 3.472 10 5 EGBERN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598575201 459946241 /nfs/dbraw/zinc/94/62/41/459946241.db2.gz HQCWQQJVCOEHDX-CYBMUJFWSA-N 0 0 340.379 3.340 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598576572 459946888 /nfs/dbraw/zinc/94/68/88/459946888.db2.gz WIHXLGJPYBFJRM-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000598582234 459952342 /nfs/dbraw/zinc/95/23/42/459952342.db2.gz UTAXVWYLBJDEMC-UHFFFAOYSA-N 0 0 344.293 3.180 10 5 EGBERN Cc1cc(OCC(=O)NCC(C)(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000598582467 459952779 /nfs/dbraw/zinc/95/27/79/459952779.db2.gz YXKSZOMLWMTIBR-UHFFFAOYSA-N 0 0 348.321 3.377 10 5 EGBERN COC(=O)c1ccnc(N2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000598595556 459957020 /nfs/dbraw/zinc/95/70/20/459957020.db2.gz JJWQKWNVULBBBX-UHFFFAOYSA-N 0 0 333.388 3.327 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000597468694 459964205 /nfs/dbraw/zinc/96/42/05/459964205.db2.gz SCLMSQKGALLZAB-AWEZNQCLSA-N 0 0 342.399 3.242 10 5 EGBERN CCOC(=O)[C@]1(C(C)C)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000618346595 459976054 /nfs/dbraw/zinc/97/60/54/459976054.db2.gz ZXRQGIYIHRITCC-QGZVFWFLSA-N 0 0 335.404 3.022 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CNc2ccccc2C1 ZINC000593764246 459979353 /nfs/dbraw/zinc/97/93/53/459979353.db2.gz ZTYGNYSEXSNBSQ-CQSZACIVSA-N 0 0 340.383 3.370 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677218 459988278 /nfs/dbraw/zinc/98/82/78/459988278.db2.gz NGDDOYIYPUVMLS-JSGCOSHPSA-N 0 0 336.342 3.053 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1Cc1ccccc1F ZINC000593826948 459997930 /nfs/dbraw/zinc/99/79/30/459997930.db2.gz ACCOZRXXZMBDNM-ZDUSSCGKSA-N 0 0 331.347 3.299 10 5 EGBERN CCc1ccncc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593856766 460004251 /nfs/dbraw/zinc/00/42/51/460004251.db2.gz OYZCFBRQGMYYPI-UHFFFAOYSA-N 0 0 326.356 3.379 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000597665986 460022666 /nfs/dbraw/zinc/02/26/66/460022666.db2.gz PMYFWXLQSWGSBB-AAEUAGOBSA-N 0 0 330.306 3.327 10 5 EGBERN O=C1N[C@H](C2CCCCCC2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000593953948 460024858 /nfs/dbraw/zinc/02/48/58/460024858.db2.gz LMZXXAGGYLKGKJ-MRXNPFEDSA-N 0 0 345.399 3.028 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1OCc2ccccc21 ZINC000593960432 460029345 /nfs/dbraw/zinc/02/93/45/460029345.db2.gz ZOXUMFAWFDGBQU-KRWDZBQOSA-N 0 0 326.352 3.215 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(CC2CC2)C1 ZINC000598782089 460032633 /nfs/dbraw/zinc/03/26/33/460032633.db2.gz VOQMXWOUKHMPMX-UHFFFAOYSA-N 0 0 326.299 3.068 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000610128803 460068810 /nfs/dbraw/zinc/06/88/10/460068810.db2.gz NEXSNLSXTAIXNC-CJNGLKHVSA-N 0 0 334.416 3.173 10 5 EGBERN CC(C)(C)OC(=O)c1ncccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000598857720 460070483 /nfs/dbraw/zinc/07/04/83/460070483.db2.gz SBPMOKMSRNSMLG-UHFFFAOYSA-N 0 0 349.368 3.259 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3N3CCCC3)nc2c1 ZINC000618583507 460073917 /nfs/dbraw/zinc/07/39/17/460073917.db2.gz IZKMVRQLQVNWLC-UHFFFAOYSA-N 0 0 337.383 3.105 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(CC(=O)OC)CCCC1 ZINC000589371622 460080166 /nfs/dbraw/zinc/08/01/66/460080166.db2.gz WHZOLTIDABLFLL-UHFFFAOYSA-N 0 0 349.387 3.155 10 5 EGBERN O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610203901 460082012 /nfs/dbraw/zinc/08/20/12/460082012.db2.gz UJZKQKXONHUISW-FZKQIMNGSA-N 0 0 335.363 3.437 10 5 EGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(F)F ZINC000594062169 460082112 /nfs/dbraw/zinc/08/21/12/460082112.db2.gz KHQWMDPABQJMLO-UHFFFAOYSA-N 0 0 338.257 3.360 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000597864446 460085412 /nfs/dbraw/zinc/08/54/12/460085412.db2.gz OAXYHVXYGRQDDV-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000598891752 460087003 /nfs/dbraw/zinc/08/70/03/460087003.db2.gz DSYHYWQZVPRTEX-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594073907 460088241 /nfs/dbraw/zinc/08/82/41/460088241.db2.gz UVTRQFPDUWNHBV-NVXWUHKLSA-N 0 0 344.367 3.419 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000610236654 460092094 /nfs/dbraw/zinc/09/20/94/460092094.db2.gz MFWUUHWPYCHACD-NRXISQOPSA-N 0 0 349.431 3.133 10 5 EGBERN CC(C)Nc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597896176 460099034 /nfs/dbraw/zinc/09/90/34/460099034.db2.gz MECHUXPZPDBTGK-UHFFFAOYSA-N 0 0 337.767 3.054 10 5 EGBERN CCOc1ccc(C(=O)NCc2cccc(C)c2OC)cc1[N+](=O)[O-] ZINC000594109845 460104323 /nfs/dbraw/zinc/10/43/23/460104323.db2.gz MIIJWSATZRIDMO-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN COc1c(C)cccc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594108185 460104568 /nfs/dbraw/zinc/10/45/68/460104568.db2.gz XCWWDDANMJBHMX-GFCCVEGCSA-N 0 0 346.358 3.471 10 5 EGBERN NC(=O)c1ccnc(N[C@@H](CC2CC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589579587 460104801 /nfs/dbraw/zinc/10/48/01/460104801.db2.gz RSTPECSILMQSOW-AWEZNQCLSA-N 0 0 326.356 3.042 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597920176 460112154 /nfs/dbraw/zinc/11/21/54/460112154.db2.gz TZJBDLSLRPERNB-CYBMUJFWSA-N 0 0 346.358 3.169 10 5 EGBERN Cc1cc(OCC(=O)N2CCC(c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000597925567 460114013 /nfs/dbraw/zinc/11/40/13/460114013.db2.gz NTXANEDLDCXOHE-UHFFFAOYSA-N 0 0 344.367 3.281 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000594139401 460121650 /nfs/dbraw/zinc/12/16/50/460121650.db2.gz INDFHRJEBMFYPI-QCEMKRCNSA-N 0 0 332.400 3.161 10 5 EGBERN COc1cc(C)c(C)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000597944893 460121900 /nfs/dbraw/zinc/12/19/00/460121900.db2.gz LHRHBNQPGPSMPX-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C ZINC000589648256 460123442 /nfs/dbraw/zinc/12/34/42/460123442.db2.gz RAFWHOZWNSQQCH-ZDUSSCGKSA-N 0 0 329.404 3.498 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594142648 460124848 /nfs/dbraw/zinc/12/48/48/460124848.db2.gz YQSIUEHGJWEBDH-LBPRGKRZSA-N 0 0 342.823 3.358 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680609 460125634 /nfs/dbraw/zinc/12/56/34/460125634.db2.gz AVAPTEZNCNPEOP-CHWSQXEVSA-N 0 0 344.415 3.306 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(F)(F)F)o1 ZINC000594154304 460128823 /nfs/dbraw/zinc/12/88/23/460128823.db2.gz QNQGXURYVGEHEX-GFCCVEGCSA-N 0 0 343.261 3.233 10 5 EGBERN Cc1c(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594165679 460135331 /nfs/dbraw/zinc/13/53/31/460135331.db2.gz QXZAOZSJPDJRIH-MFKMUULPSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594166580 460135648 /nfs/dbraw/zinc/13/56/48/460135648.db2.gz WVUTXAXAPSBOTB-CHWSQXEVSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594186383 460140020 /nfs/dbraw/zinc/14/00/20/460140020.db2.gz OPWSOWBQUVOAGC-JSGCOSHPSA-N 0 0 338.429 3.394 10 5 EGBERN CSc1cccc(C(=O)NCc2ccc(Cl)o2)c1[N+](=O)[O-] ZINC000614442783 460141897 /nfs/dbraw/zinc/14/18/97/460141897.db2.gz CSQWLHRDJADAFP-UHFFFAOYSA-N 0 0 326.761 3.493 10 5 EGBERN C[C@@]12COC[C@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000618721471 460142486 /nfs/dbraw/zinc/14/24/86/460142486.db2.gz GYHSEWPORXUOFI-QVKFZJNVSA-N 0 0 332.403 3.497 10 5 EGBERN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610400091 460142761 /nfs/dbraw/zinc/14/27/61/460142761.db2.gz YTBXHSHFTOIIQO-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000598015630 460144790 /nfs/dbraw/zinc/14/47/90/460144790.db2.gz ZFVMSMMDAYQKOS-SECBINFHSA-N 0 0 332.385 3.117 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@]12CCCO2 ZINC000599067393 460148772 /nfs/dbraw/zinc/14/87/72/460148772.db2.gz VVXFUQWWKSDAIN-JFIYKMOQSA-N 0 0 343.383 3.282 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC2(CCCCC2)O1 ZINC000594204615 460149445 /nfs/dbraw/zinc/14/94/45/460149445.db2.gz RZZYPTFAOJBXOV-GFCCVEGCSA-N 0 0 336.363 3.298 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCOC[C@H](C2CCC2)C1 ZINC000599081540 460154887 /nfs/dbraw/zinc/15/48/87/460154887.db2.gz OKMMZASNEDTGBN-OAHLLOKOSA-N 0 0 327.384 3.396 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598059611 460155937 /nfs/dbraw/zinc/15/59/37/460155937.db2.gz HHXBDWWWAOVIJO-AULYBMBSSA-N 0 0 347.396 3.016 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598060398 460158035 /nfs/dbraw/zinc/15/80/35/460158035.db2.gz DETLVZSROBLWPT-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN COC(=O)[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])CC1CC1 ZINC000599095831 460161077 /nfs/dbraw/zinc/16/10/77/460161077.db2.gz IJWCQYPZJCFHGC-CYBMUJFWSA-N 0 0 329.356 3.144 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCC[C@@H]3CCCOC3)n2)cc1 ZINC000599117824 460165156 /nfs/dbraw/zinc/16/51/56/460165156.db2.gz XNUZJYXWFQXTOI-LBPRGKRZSA-N 0 0 333.413 3.369 10 5 EGBERN COc1cccc(NC[C@H](n2cccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC000599117100 460165377 /nfs/dbraw/zinc/16/53/77/460165377.db2.gz LCMFVCPIYILXHU-NSHDSACASA-N 0 0 330.266 3.015 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000599120895 460166914 /nfs/dbraw/zinc/16/69/14/460166914.db2.gz JUGHIGKDLGXDHW-UONOGXRCSA-N 0 0 332.381 3.085 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000594242921 460169029 /nfs/dbraw/zinc/16/90/29/460169029.db2.gz WWRJAILEVFWQBY-HDJSIYSDSA-N 0 0 335.404 3.049 10 5 EGBERN CCOc1cccc(NCc2ccc(CC(=O)OC)cc2)c1[N+](=O)[O-] ZINC000599128198 460169604 /nfs/dbraw/zinc/16/96/04/460169604.db2.gz ZKHJENWIOAYCHP-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599134250 460170104 /nfs/dbraw/zinc/17/01/04/460170104.db2.gz HPZZODPMDKFTCA-BDAKNGLRSA-N 0 0 344.234 3.227 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(C2)CCCO3)nc1-c1ccc(F)cc1 ZINC000599144407 460173997 /nfs/dbraw/zinc/17/39/97/460173997.db2.gz HGIGXGPEUYMVMZ-UHFFFAOYSA-N 0 0 329.331 3.165 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]3c3ccsc3)n2)nc1 ZINC000599145722 460175595 /nfs/dbraw/zinc/17/55/95/460175595.db2.gz ZSCDUDFONNOAQY-QWHCGFSZSA-N 0 0 328.353 3.296 10 5 EGBERN C[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610528767 460176755 /nfs/dbraw/zinc/17/67/55/460176755.db2.gz NVZDWAJDOZUOJE-QWHCGFSZSA-N 0 0 328.372 3.154 10 5 EGBERN COc1cc(NC[C@H]2c3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1C ZINC000599164820 460183138 /nfs/dbraw/zinc/18/31/38/460183138.db2.gz OURXFBWVHJSPDR-INIZCTEOSA-N 0 0 341.367 3.151 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccsc2)s1 ZINC000599165500 460183524 /nfs/dbraw/zinc/18/35/24/460183524.db2.gz SBEQAEJEZIYGRS-DTWKUNHWSA-N 0 0 344.439 3.089 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000599178929 460189062 /nfs/dbraw/zinc/18/90/62/460189062.db2.gz CFWJBFHGOZPNKH-CABZTGNLSA-N 0 0 340.763 3.014 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2coc(C3CC3)n2)no1 ZINC000599190166 460193750 /nfs/dbraw/zinc/19/37/50/460193750.db2.gz CVQVTFJNFDUAEB-UHFFFAOYSA-N 0 0 328.284 3.089 10 5 EGBERN O=[N+]([O-])c1c(N2CC[C@@H](c3ccc(O)cc3)C2)nc2sccn21 ZINC000599190284 460193936 /nfs/dbraw/zinc/19/39/36/460193936.db2.gz BUKHCNVNURZDLQ-LLVKDONJSA-N 0 0 330.369 3.004 10 5 EGBERN CC[C@@H](NC(=O)NCC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610643963 460203568 /nfs/dbraw/zinc/20/35/68/460203568.db2.gz KTIPVVMXODIXNL-MRXNPFEDSA-N 0 0 349.431 3.288 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000598207491 460204512 /nfs/dbraw/zinc/20/45/12/460204512.db2.gz GXXXLDITZJEMQZ-ILXRZTDVSA-N 0 0 332.400 3.225 10 5 EGBERN C[C@@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000598214191 460206255 /nfs/dbraw/zinc/20/62/55/460206255.db2.gz GUYDRPQFLHNEEK-ZDUSSCGKSA-N 0 0 348.733 3.179 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000598214804 460207418 /nfs/dbraw/zinc/20/74/18/460207418.db2.gz VMIRORUVSZJORO-VHSXEESVSA-N 0 0 346.305 3.301 10 5 EGBERN CNc1ccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594414507 460212059 /nfs/dbraw/zinc/21/20/59/460212059.db2.gz IPVCUXVLJRUPHD-CYBMUJFWSA-N 0 0 347.415 3.200 10 5 EGBERN O=C(Nc1ccc2c(c1)CCOC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598225538 460213159 /nfs/dbraw/zinc/21/31/59/460213159.db2.gz DWLGZHVRBZRERU-ZWKOTPCHSA-N 0 0 338.363 3.410 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598227568 460214275 /nfs/dbraw/zinc/21/42/75/460214275.db2.gz CGYGAXKFTBOVEN-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000598230634 460215155 /nfs/dbraw/zinc/21/51/55/460215155.db2.gz NVJFPTSJCCMJIT-KRWDZBQOSA-N 0 0 346.408 3.469 10 5 EGBERN Cc1noc(CN2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000599637351 460294939 /nfs/dbraw/zinc/29/49/39/460294939.db2.gz SIDLSUSUBNTXJW-UHFFFAOYSA-N 0 0 341.289 3.468 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599655821 460299749 /nfs/dbraw/zinc/29/97/49/460299749.db2.gz XIOXJJGYZVWCKD-LJQANCHMSA-N 0 0 342.395 3.390 10 5 EGBERN Cc1cnc(N2CCO[C@@H](c3ccc(F)c(C)c3)C2)c([N+](=O)[O-])c1 ZINC000611204638 460308091 /nfs/dbraw/zinc/30/80/91/460308091.db2.gz IWABHDOJWCLPCT-MRXNPFEDSA-N 0 0 331.347 3.324 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2cccnc2)CC1 ZINC000611256107 460319249 /nfs/dbraw/zinc/31/92/49/460319249.db2.gz MBSCUAVEHYMPSI-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CC[C@H](NC(=O)NC1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611314972 460335607 /nfs/dbraw/zinc/33/56/07/460335607.db2.gz FPAVXMOFDGSTPC-HQVVEAJESA-N 0 0 349.431 3.429 10 5 EGBERN CC(C)(CO)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830403 460342912 /nfs/dbraw/zinc/34/29/12/460342912.db2.gz SVHBLOFHONPPQH-UHFFFAOYSA-N 0 0 346.387 3.063 10 5 EGBERN O=C(NCCOC1CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831376 460343876 /nfs/dbraw/zinc/34/38/76/460343876.db2.gz SLCIKLIKRUZDJB-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN CCC[C@H](CCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832009 460343971 /nfs/dbraw/zinc/34/39/71/460343971.db2.gz RGUZCNBNKQGKOI-GFCCVEGCSA-N 0 0 346.387 3.063 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)[C@@H](C)O1 ZINC000599833431 460344640 /nfs/dbraw/zinc/34/46/40/460344640.db2.gz RNMHOZCMWCEEES-GRYCIOLGSA-N 0 0 344.371 3.173 10 5 EGBERN C[C@H]1CSC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836533 460345314 /nfs/dbraw/zinc/34/53/14/460345314.db2.gz SVVKBEBKLPZENJ-ZANVPECISA-N 0 0 332.385 3.016 10 5 EGBERN C[C@H]1COC(C)(C)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835282 460345330 /nfs/dbraw/zinc/34/53/30/460345330.db2.gz LZFWZCMNOXCZLS-NSHDSACASA-N 0 0 344.371 3.174 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837398 460345536 /nfs/dbraw/zinc/34/55/36/460345536.db2.gz COTUZDQEYKHJEN-ZBEGNZNMSA-N 0 0 346.387 3.326 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599841350 460347124 /nfs/dbraw/zinc/34/71/24/460347124.db2.gz YFFCSZICUPBAGZ-KRWDZBQOSA-N 0 0 346.387 3.206 10 5 EGBERN COc1c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000619437595 460356490 /nfs/dbraw/zinc/35/64/90/460356490.db2.gz HJMSGAXWPFOBCG-AWEZNQCLSA-N 0 0 348.399 3.167 10 5 EGBERN CCO[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000599987852 460367327 /nfs/dbraw/zinc/36/73/27/460367327.db2.gz SFUHBTACXIJOOC-WBVHZDCISA-N 0 0 334.416 3.362 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000600042675 460372771 /nfs/dbraw/zinc/37/27/71/460372771.db2.gz CNRYNYSLGKNHED-AWEZNQCLSA-N 0 0 345.399 3.013 10 5 EGBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC12CCCC2 ZINC000600070011 460375777 /nfs/dbraw/zinc/37/57/77/460375777.db2.gz CDTMCZQKBNBEJW-UHFFFAOYSA-N 0 0 344.346 3.078 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1F ZINC000611505305 460380610 /nfs/dbraw/zinc/38/06/10/460380610.db2.gz BGJKAWRFILUOHG-QPUJVOFHSA-N 0 0 345.168 3.177 10 5 EGBERN COC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000611510484 460382443 /nfs/dbraw/zinc/38/24/43/460382443.db2.gz ZCLYEETVHLTKGG-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000619578392 460387898 /nfs/dbraw/zinc/38/78/98/460387898.db2.gz JVUMQAZJILQCRY-KSZLIROESA-N 0 0 346.427 3.449 10 5 EGBERN Nc1cc(N2CCC[C@H]2CCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525807 460389472 /nfs/dbraw/zinc/38/94/72/460389472.db2.gz TZVZJWHPPMOTKZ-INIZCTEOSA-N 0 0 341.411 3.271 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611576429 460406102 /nfs/dbraw/zinc/40/61/02/460406102.db2.gz NCQBVKFLKXRPHO-GXFFZTMASA-N 0 0 343.330 3.069 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000600149161 460408030 /nfs/dbraw/zinc/40/80/30/460408030.db2.gz VUNOCEJCJOHDDI-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](CC1CC1)c1ccccc1 ZINC000611598253 460412338 /nfs/dbraw/zinc/41/23/38/460412338.db2.gz BGVJNOCLFWAXRP-OAHLLOKOSA-N 0 0 326.356 3.075 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600171491 460419052 /nfs/dbraw/zinc/41/90/52/460419052.db2.gz WEEIHCDPBANXDN-UPJWGTAASA-N 0 0 327.384 3.171 10 5 EGBERN CCC[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OCC ZINC000600174709 460420029 /nfs/dbraw/zinc/42/00/29/460420029.db2.gz MQAVFOOPJPRCNS-NSHDSACASA-N 0 0 346.330 3.131 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000604429132 460425679 /nfs/dbraw/zinc/42/56/79/460425679.db2.gz GLKFLBSCWCTVFT-ZDUSSCGKSA-N 0 0 327.384 3.447 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1(F)F ZINC000600185322 460426306 /nfs/dbraw/zinc/42/63/06/460426306.db2.gz KSTAOFNAOPRQSI-RKDXNWHRSA-N 0 0 348.296 3.165 10 5 EGBERN COc1ccccc1CCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707464 460433693 /nfs/dbraw/zinc/43/36/93/460433693.db2.gz RIBSYYFVTIRHKX-UHFFFAOYSA-N 0 0 338.367 3.226 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H](CCF)C3)o2)cc1 ZINC000600204898 460437742 /nfs/dbraw/zinc/43/77/42/460437742.db2.gz OIADZRZBKWBIHN-OAHLLOKOSA-N 0 0 334.347 3.415 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000600206922 460440320 /nfs/dbraw/zinc/44/03/20/460440320.db2.gz HQSWKSKXZOCGPC-BPQIPLTHSA-N 0 0 342.782 3.245 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000600206618 460440825 /nfs/dbraw/zinc/44/08/25/460440825.db2.gz GHYYUHKTHHCZMN-MLGOLLRUSA-N 0 0 342.399 3.363 10 5 EGBERN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])C1 ZINC000604542407 460443491 /nfs/dbraw/zinc/44/34/91/460443491.db2.gz SRYYAXQBLJBNRS-RYUDHWBXSA-N 0 0 344.371 3.317 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000600212677 460443788 /nfs/dbraw/zinc/44/37/88/460443788.db2.gz ZPOJMNGTUJKCSL-HIFRSBDPSA-N 0 0 340.379 3.127 10 5 EGBERN CC[C@@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000600245773 460456943 /nfs/dbraw/zinc/45/69/43/460456943.db2.gz MPMBVWCSRFIOBJ-HNNXBMFYSA-N 0 0 327.384 3.439 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600268603 460460792 /nfs/dbraw/zinc/46/07/92/460460792.db2.gz WPCGBNOKDUDZEI-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271694 460462685 /nfs/dbraw/zinc/46/26/85/460462685.db2.gz NJFNNLDPEOZAHN-NEPJUHHUSA-N 0 0 331.397 3.186 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600365423 460483635 /nfs/dbraw/zinc/48/36/35/460483635.db2.gz RRSURRMXDQJFLU-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])c(OC)c1 ZINC000600367230 460484636 /nfs/dbraw/zinc/48/46/36/460484636.db2.gz WYHQLGPNZBNBHQ-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600368864 460485451 /nfs/dbraw/zinc/48/54/51/460485451.db2.gz ZDQPAQMPDXZNFU-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN CCC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000600379226 460487036 /nfs/dbraw/zinc/48/70/36/460487036.db2.gz DECYKWVIRLBCMC-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN Cc1nn(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000600508153 460506978 /nfs/dbraw/zinc/50/69/78/460506978.db2.gz ISIHZAYFNJZAHQ-GHMZBOCLSA-N 0 0 333.310 3.346 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[C@H]2c2cccnc2)s1 ZINC000601192747 460747598 /nfs/dbraw/zinc/74/75/98/460747598.db2.gz ZEBVAZMALQTICI-QWRGUYRKSA-N 0 0 327.369 3.210 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C(C)(C)C1(F)F ZINC000601196393 460747648 /nfs/dbraw/zinc/74/76/48/460747648.db2.gz JHZZEUQSCAQCIR-YFKPBYRVSA-N 0 0 328.241 3.050 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(Oc2ccccc2F)CC1 ZINC000601216547 460753818 /nfs/dbraw/zinc/75/38/18/460753818.db2.gz OINYUCASQAJCAO-UHFFFAOYSA-N 0 0 348.378 3.307 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(F)(F)F ZINC000601237259 460761132 /nfs/dbraw/zinc/76/11/32/460761132.db2.gz AWCXFBFIQLSXNK-CDUCUWFYSA-N 0 0 343.099 3.081 10 5 EGBERN CC(=O)c1ccc(NCc2cccc3c2CCOC3)c([N+](=O)[O-])c1 ZINC000601239888 460762444 /nfs/dbraw/zinc/76/24/44/460762444.db2.gz RNNOIQFFENULCO-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN COc1cc(NCc2cccc3c2CCOC3)c(F)cc1[N+](=O)[O-] ZINC000601240265 460762667 /nfs/dbraw/zinc/76/26/67/460762667.db2.gz XCUBHIJGVLOQJN-UHFFFAOYSA-N 0 0 332.331 3.427 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCC3([C@@H]4CCCCO4)CCC3)c2c1 ZINC000601242751 460764047 /nfs/dbraw/zinc/76/40/47/460764047.db2.gz XNIANOKWCVAFFQ-INIZCTEOSA-N 0 0 342.399 3.111 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2ccc3ccccc3n2)no1 ZINC000612894202 460765977 /nfs/dbraw/zinc/76/59/77/460765977.db2.gz ZDGZVHATKFAGKB-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CN(Cc1nccs1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601268419 460770294 /nfs/dbraw/zinc/77/02/94/460770294.db2.gz PLWNSQHPPLRZPT-UHFFFAOYSA-N 0 0 331.397 3.132 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)c([N+](=O)[O-])s1 ZINC000601290057 460778133 /nfs/dbraw/zinc/77/81/33/460778133.db2.gz ZZWAFEJMBIVBDZ-LLVKDONJSA-N 0 0 340.426 3.346 10 5 EGBERN CCOC1CC(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601579957 460837970 /nfs/dbraw/zinc/83/79/70/460837970.db2.gz HLADMAHMROSXLT-UHFFFAOYSA-N 0 0 332.400 3.042 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000601653554 460857735 /nfs/dbraw/zinc/85/77/35/460857735.db2.gz FXPKNOOTBSWXRI-INIZCTEOSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601659824 460860205 /nfs/dbraw/zinc/86/02/05/460860205.db2.gz OBHRWFLNCUAKQN-WMLDXEAASA-N 0 0 339.395 3.500 10 5 EGBERN CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000601698578 460874095 /nfs/dbraw/zinc/87/40/95/460874095.db2.gz JAJUYORALSWVDW-INIZCTEOSA-N 0 0 329.356 3.209 10 5 EGBERN CCOc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000601701045 460875815 /nfs/dbraw/zinc/87/58/15/460875815.db2.gz KKXQRCVMAVQREE-UHFFFAOYSA-N 0 0 343.383 3.389 10 5 EGBERN CNc1c(C(=O)N2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000613238119 460879969 /nfs/dbraw/zinc/87/99/69/460879969.db2.gz WMJWTMXUAFFYNV-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3nccs3)CC2)c1 ZINC000601742704 460887448 /nfs/dbraw/zinc/88/74/48/460887448.db2.gz GBIQVYNZXKTBMP-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@](C)(Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000601836549 460918559 /nfs/dbraw/zinc/91/85/59/460918559.db2.gz OALLJUKMEFOFEI-SFHVURJKSA-N 0 0 344.415 3.024 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601878186 460933656 /nfs/dbraw/zinc/93/36/56/460933656.db2.gz URCOKSPXEDSOGH-NVXWUHKLSA-N 0 0 348.399 3.071 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOc1cc(F)ccc1Br ZINC000601913723 460942224 /nfs/dbraw/zinc/94/22/24/460942224.db2.gz RDVGCGZSZYMARF-UHFFFAOYSA-N 0 0 344.140 3.080 10 5 EGBERN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@@H]1C(F)(F)F ZINC000302655605 517509747 /nfs/dbraw/zinc/50/97/47/517509747.db2.gz CUXSGJFPTAHVEB-VIFPVBQESA-N 0 0 343.309 3.052 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C12CCCC2 ZINC000183595313 527897702 /nfs/dbraw/zinc/89/77/02/527897702.db2.gz MSNIIXABVFVYIU-LSDHHAIUSA-N 0 0 348.403 3.191 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000190031790 528062524 /nfs/dbraw/zinc/06/25/24/528062524.db2.gz BSTYMHSQKAJWSV-OAHLLOKOSA-N 0 0 342.399 3.220 10 5 EGBERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177944406 528828397 /nfs/dbraw/zinc/82/83/97/528828397.db2.gz DDDBAYZFSOEBGS-SJCJKPOMSA-N 0 0 345.399 3.257 10 5 EGBERN CC[C@@H](NCc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 ZINC000181525567 529191261 /nfs/dbraw/zinc/19/12/61/529191261.db2.gz SCHFJLSYXQBCMA-CYBMUJFWSA-N 0 0 328.328 3.479 10 5 EGBERN CCOc1cc(Oc2nc([C@@H](C)OC)ns2)ccc1[N+](=O)[O-] ZINC000337935553 535688292 /nfs/dbraw/zinc/68/82/92/535688292.db2.gz JRQFPJKQUFQCIX-MRVPVSSYSA-N 0 0 325.346 3.345 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171647234 536722228 /nfs/dbraw/zinc/72/22/28/536722228.db2.gz DYNFVZSORSBJGR-LBPRGKRZSA-N 0 0 347.396 3.080 10 5 EGBERN COc1ncccc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000356235509 537149520 /nfs/dbraw/zinc/14/95/20/537149520.db2.gz GTQLAOQTWHEVOY-UHFFFAOYSA-N 0 0 348.265 3.189 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NC1CCCCCC1 ZINC000728202256 574729404 /nfs/dbraw/zinc/72/94/04/574729404.db2.gz YHBOIMUUJIFBCB-CYBMUJFWSA-N 0 0 331.416 3.185 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000728989512 574791756 /nfs/dbraw/zinc/79/17/56/574791756.db2.gz WSMJSUXAHLXHPT-NSHDSACASA-N 0 0 349.314 3.253 10 5 EGBERN COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000729182933 574821541 /nfs/dbraw/zinc/82/15/41/574821541.db2.gz GFYFCQDFVIVHIO-UHFFFAOYSA-N 0 0 331.328 3.191 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000729469882 574863481 /nfs/dbraw/zinc/86/34/81/574863481.db2.gz JORQKEKHXQXSMG-VURMDHGXSA-N 0 0 327.340 3.097 10 5 EGBERN COc1ccc2[nH]cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000730360997 574977678 /nfs/dbraw/zinc/97/76/78/574977678.db2.gz DDTOLTMGNBKCKU-UHFFFAOYSA-N 0 0 326.308 3.442 10 5 EGBERN CC(C)Oc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000730816284 575024521 /nfs/dbraw/zinc/02/45/21/575024521.db2.gz YSCMZMXQGJBXRO-UHFFFAOYSA-N 0 0 343.382 3.211 10 5 EGBERN COC(=O)c1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000731006722 575043273 /nfs/dbraw/zinc/04/32/73/575043273.db2.gz UUSWTCXCDZUJOX-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732403000 575266867 /nfs/dbraw/zinc/26/68/67/575266867.db2.gz YWGUAQHFCDNIPO-VOTSOKGWSA-N 0 0 340.763 3.332 10 5 EGBERN CC[S@](=O)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000733893738 575411231 /nfs/dbraw/zinc/41/12/31/575411231.db2.gz KEUJKYOCZCZMBW-NRFANRHFSA-N 0 0 344.742 3.448 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000734405981 575481026 /nfs/dbraw/zinc/48/10/26/575481026.db2.gz SFDGYAHNONEYPR-QWHCGFSZSA-N 0 0 338.379 3.445 10 5 EGBERN CCOc1ccc(C(=O)OCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000739334314 576397993 /nfs/dbraw/zinc/39/79/93/576397993.db2.gz CAPMUVVFJPAJNO-UHFFFAOYSA-N 0 0 333.262 3.493 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOCCOc1ccccc1 ZINC000742259264 576763575 /nfs/dbraw/zinc/76/35/75/576763575.db2.gz XKSJTYOZIVMIBG-HNNXBMFYSA-N 0 0 342.395 3.441 10 5 EGBERN Cc1[nH]nc2ncc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000744784430 576834320 /nfs/dbraw/zinc/83/43/20/576834320.db2.gz CSZGLYXPJFYHRE-SNVBAGLBSA-N 0 0 326.312 3.093 10 5 EGBERN CCCCCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000305904074 1297064926 /nfs/dbraw/zinc/06/49/26/1297064926.db2.gz CCCPQYMPIILULU-UHFFFAOYSA-N 0 0 330.182 3.062 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000695160367 1298158003 /nfs/dbraw/zinc/15/80/03/1298158003.db2.gz MVSAHTUGFNCXMO-QMMMGPOBSA-N 0 0 344.209 3.307 10 5 EGBERN O=C(OC[C@@H]1C[C@]12CCOC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000884589922 1302920303 /nfs/dbraw/zinc/92/03/03/1302920303.db2.gz LUFZRCCTGBFVBM-UGSOOPFHSA-N 0 0 327.336 3.331 10 5 EGBERN CN(C)C(=O)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000122065376 1293400399 /nfs/dbraw/zinc/40/03/99/1293400399.db2.gz TUQVRAFNJOEVLE-UHFFFAOYSA-N 0 0 347.802 3.491 10 5 EGBERN Cc1ccc(Cl)c(OS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000134094691 1293762137 /nfs/dbraw/zinc/76/21/37/1293762137.db2.gz YSUYSPDVQMTBKU-UHFFFAOYSA-N 0 0 341.772 3.465 10 5 EGBERN COc1ccccc1OCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153607627 1294021277 /nfs/dbraw/zinc/02/12/77/1294021277.db2.gz HRCLISFXBHPTBO-UHFFFAOYSA-N 0 0 337.763 3.167 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cnn3c2CCCC3)cc1[N+](=O)[O-] ZINC000870696001 1296024980 /nfs/dbraw/zinc/02/49/80/1296024980.db2.gz WOCITCRBAWIABC-UHFFFAOYSA-N 0 0 334.763 3.342 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn2c1CCCC2 ZINC000870695970 1296025011 /nfs/dbraw/zinc/02/50/11/1296025011.db2.gz VVNMHWGMGZFYTH-ZRDIBKRKSA-N 0 0 326.356 3.170 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CCC(=O)c1ccccn1 ZINC000870700584 1296027605 /nfs/dbraw/zinc/02/76/05/1296027605.db2.gz IXMXNDCTMALENH-UHFFFAOYSA-N 0 0 342.351 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)/C=C/COC1CCOCC1 ZINC000870701876 1296029668 /nfs/dbraw/zinc/02/96/68/1296029668.db2.gz XRHVAPNJYBGLMC-ONEGZZNKSA-N 0 0 349.383 3.007 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1cncc(F)c1 ZINC000870744643 1296059735 /nfs/dbraw/zinc/05/97/35/1296059735.db2.gz YSBQPAJMOLGKLC-UHFFFAOYSA-N 0 0 333.319 3.064 10 5 EGBERN O=C(/C=C\Sc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827298 1296104871 /nfs/dbraw/zinc/10/48/71/1296104871.db2.gz XJQIUYUEHLFUNM-SREVYHEPSA-N 0 0 345.380 3.344 10 5 EGBERN CC[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870826662 1296105118 /nfs/dbraw/zinc/10/51/18/1296105118.db2.gz JHSINCFFNGOESG-AVVWSFFYSA-N 0 0 329.356 3.232 10 5 EGBERN CC[C@H](Cc1ccccc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829393 1296106440 /nfs/dbraw/zinc/10/64/40/1296106440.db2.gz KNEGOIAPGCKCFS-HPUBIQBYSA-N 0 0 343.383 3.307 10 5 EGBERN CC[C@@H](CC(F)(F)F)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828991 1296106517 /nfs/dbraw/zinc/10/65/17/1296106517.db2.gz ZGTQCGMAWIAEAW-SILCLGDVSA-N 0 0 335.282 3.017 10 5 EGBERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830356 1296107679 /nfs/dbraw/zinc/10/76/79/1296107679.db2.gz ZTKYJKIVWDHELC-HOFDXXJLSA-N 0 0 347.396 3.212 10 5 EGBERN CC1(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)CCC(F)(F)CC1 ZINC000870831533 1296108063 /nfs/dbraw/zinc/10/80/63/1296108063.db2.gz VZDDCLLAIVUYNX-UHFFFAOYSA-N 0 0 343.330 3.254 10 5 EGBERN CCC[C@@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C(=O)OCC ZINC000233297718 1296176520 /nfs/dbraw/zinc/17/65/20/1296176520.db2.gz CEYKFVXQGSJMRS-GFCCVEGCSA-N 0 0 346.177 3.468 10 5 EGBERN CSc1cccc(C(=O)NCC[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000871033899 1296187804 /nfs/dbraw/zinc/18/78/04/1296187804.db2.gz KKGQVUSEKFDUMS-SNVBAGLBSA-N 0 0 326.443 3.332 10 5 EGBERN O=C(NCC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000871035192 1296188147 /nfs/dbraw/zinc/18/81/47/1296188147.db2.gz VFEQWZGWYQRUAM-SNVBAGLBSA-N 0 0 346.355 3.212 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000871123491 1296234911 /nfs/dbraw/zinc/23/49/11/1296234911.db2.gz PZWGSMNYSRXGGH-FHFUJXRGSA-N 0 0 330.384 3.072 10 5 EGBERN C[C@@H](C(=O)NC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000871168850 1296256161 /nfs/dbraw/zinc/25/61/61/1296256161.db2.gz IULZUNVMPSOBGL-ABAIWWIYSA-N 0 0 338.379 3.301 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000871303420 1296332612 /nfs/dbraw/zinc/33/26/12/1296332612.db2.gz YGRSJRQIJHZJPB-DOMZBBRYSA-N 0 0 338.791 3.183 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871338804 1296360972 /nfs/dbraw/zinc/36/09/72/1296360972.db2.gz SPLYJZMLHBVXRI-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871583247 1296441836 /nfs/dbraw/zinc/44/18/36/1296441836.db2.gz NDFSBJKFEKPGNA-GRNBYLDVSA-N 0 0 344.411 3.321 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2C[C@H]3CCC[C@H]3O2)c(F)c1F ZINC000871677457 1296476130 /nfs/dbraw/zinc/47/61/30/1296476130.db2.gz LBZJWHYHAUQLQD-GJMOJQLCSA-N 0 0 335.253 3.488 10 5 EGBERN C[C@@H](Oc1ccc(Br)nc1[N+](=O)[O-])C(=O)C(C)(C)C ZINC000871694429 1296485563 /nfs/dbraw/zinc/48/55/63/1296485563.db2.gz LNYKNKFVIDYNKP-SSDOTTSWSA-N 0 0 331.166 3.135 10 5 EGBERN C[C@H](NCCC(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031872 1296679554 /nfs/dbraw/zinc/67/95/54/1296679554.db2.gz UWOLGXSXOLCFPK-ZDUSSCGKSA-N 0 0 345.374 3.091 10 5 EGBERN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078218 1296721597 /nfs/dbraw/zinc/72/15/97/1296721597.db2.gz GKBUMXAMVMSCKN-MRVPVSSYSA-N 0 0 344.268 3.394 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000872751841 1297090951 /nfs/dbraw/zinc/09/09/51/1297090951.db2.gz AQNKQZGNUCQJCU-YMTOWFKASA-N 0 0 346.305 3.344 10 5 EGBERN COc1cnc(F)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000876023461 1298558113 /nfs/dbraw/zinc/55/81/13/1298558113.db2.gz IKROSOJZFKUJND-UHFFFAOYSA-N 0 0 333.319 3.054 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880111437 1300934665 /nfs/dbraw/zinc/93/46/65/1300934665.db2.gz ZWDHJSLMOYPPDA-ORHYLEIMSA-N 0 0 346.383 3.065 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000881883156 1301750158 /nfs/dbraw/zinc/75/01/58/1301750158.db2.gz AMVALSWARXEKCH-LSDHHAIUSA-N 0 0 345.786 3.372 10 5 EGBERN CCOc1cccc(N2CCC[C@@H](n3ccnc3C)C2)c1[N+](=O)[O-] ZINC000762802600 1301752878 /nfs/dbraw/zinc/75/28/78/1301752878.db2.gz ZBZWDALNZXETFA-CQSZACIVSA-N 0 0 330.388 3.340 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000882157232 1301852052 /nfs/dbraw/zinc/85/20/52/1301852052.db2.gz NLSVVIQMVZDJGA-GJZGRUSLSA-N 0 0 332.400 3.440 10 5 EGBERN O=C(OC[C@@H]1C[C@]12CCOC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000884535673 1302900166 /nfs/dbraw/zinc/90/01/66/1302900166.db2.gz JDDCGYYGDOOJOA-HZMBPMFUSA-N 0 0 345.273 3.197 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000884700047 1302956316 /nfs/dbraw/zinc/95/63/16/1302956316.db2.gz LVYAXXLORUGFOA-KSBHJAGGSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C\C(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000885473508 1303154385 /nfs/dbraw/zinc/15/43/85/1303154385.db2.gz HHNNUCLZEXILET-IDTNILDTSA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C/C(=O)N1CCOC[C@@H]1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000886467890 1303472027 /nfs/dbraw/zinc/47/20/27/1303472027.db2.gz MXEFMGVXVADUHW-QFSNBGPKSA-N 0 0 330.384 3.026 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cc([N+](=O)[O-])c1 ZINC000888822158 1304290336 /nfs/dbraw/zinc/29/03/36/1304290336.db2.gz MCQQJBLQAIMXNP-KXBFYZLASA-N 0 0 337.379 3.450 10 5 EGBERN CC(C)(C)c1coc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000889553228 1304522190 /nfs/dbraw/zinc/52/21/90/1304522190.db2.gz NRVONXKNDORPOW-UONOGXRCSA-N 0 0 343.383 3.300 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@]12CCC[C@H]1OCC2 ZINC000892649125 1305487645 /nfs/dbraw/zinc/48/76/45/1305487645.db2.gz RLPQPJVSYOYRRV-PBHICJAKSA-N 0 0 327.340 3.041 10 5 EGBERN CC(C)(C(=O)O[C@@H]1c2ccccc2CC[C@@H]1F)n1cc([N+](=O)[O-])cn1 ZINC000893720748 1306048772 /nfs/dbraw/zinc/04/87/72/1306048772.db2.gz AADMGFBCRCRLNJ-LSDHHAIUSA-N 0 0 347.346 3.095 10 5 EGBERN CC(C)(C(=O)O[C@H]1c2ccccc2CC[C@@H]1F)n1cc([N+](=O)[O-])cn1 ZINC000893720743 1306049282 /nfs/dbraw/zinc/04/92/82/1306049282.db2.gz AADMGFBCRCRLNJ-GJZGRUSLSA-N 0 0 347.346 3.095 10 5 EGBERN CC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCCOC1 ZINC000893852332 1306097124 /nfs/dbraw/zinc/09/71/24/1306097124.db2.gz UPUXKGIBAQKVIP-RHSMWYFYSA-N 0 0 346.427 3.338 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894269688 1306313654 /nfs/dbraw/zinc/31/36/54/1306313654.db2.gz SZEDRXFZPLPVRW-FLIBITNWSA-N 0 0 327.340 3.180 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000894337782 1306348519 /nfs/dbraw/zinc/34/85/19/1306348519.db2.gz REMOOGSQIYWKPA-DTORHVGOSA-N 0 0 346.330 3.049 10 5 EGBERN O=C(NC[C@@H]1CC2(CCC2)CO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894397784 1308854292 /nfs/dbraw/zinc/85/42/92/1308854292.db2.gz ROXPVFSVHQDIOI-INIZCTEOSA-N 0 0 344.411 3.092 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000894502944 1308925697 /nfs/dbraw/zinc/92/56/97/1308925697.db2.gz CXPZUWLRNNHPCE-SNVBAGLBSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894664573 1309012113 /nfs/dbraw/zinc/01/21/13/1309012113.db2.gz YFVRNLVDJJNOOD-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894699419 1309027097 /nfs/dbraw/zinc/02/70/97/1309027097.db2.gz FBUPOMFASHMCBB-ABAIWWIYSA-N 0 0 338.791 3.198 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894706435 1309029039 /nfs/dbraw/zinc/02/90/39/1309029039.db2.gz WRBMCOBXTDPCLZ-FONJURLJSA-N 0 0 330.384 3.026 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894712424 1309032488 /nfs/dbraw/zinc/03/24/88/1309032488.db2.gz MPWYMQVUSMWHDG-CABCVRRESA-N 0 0 332.400 3.161 10 5 EGBERN CC(=O)c1ccc(N2CCS[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000895596981 1309422319 /nfs/dbraw/zinc/42/23/19/1309422319.db2.gz JLMDMDBEAUIJKZ-LBPRGKRZSA-N 0 0 334.319 3.282 10 5 EGBERN CC(=O)c1ccc(N[C@H](CO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000895679047 1309461993 /nfs/dbraw/zinc/46/19/93/1309461993.db2.gz LKFXZCDRPMZORT-INIZCTEOSA-N 0 0 328.368 3.203 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CCC3(CCC3)CO2)n1 ZINC000895958326 1309612056 /nfs/dbraw/zinc/61/20/56/1309612056.db2.gz NRWWCCGVRVJDIJ-AWEZNQCLSA-N 0 0 343.383 3.460 10 5 EGBERN CC(=O)c1ccc(NCc2cc(C(F)(F)F)n(C)n2)c([N+](=O)[O-])c1 ZINC000897237834 1310237082 /nfs/dbraw/zinc/23/70/82/1310237082.db2.gz DZLLIXXTCAHGGT-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OC(F)F)C2)c1C ZINC000897352953 1310303108 /nfs/dbraw/zinc/30/31/08/1310303108.db2.gz AGNNKJMCRTWDSL-NSHDSACASA-N 0 0 328.315 3.055 10 5 EGBERN Cc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000898069966 1310574859 /nfs/dbraw/zinc/57/48/59/1310574859.db2.gz DBAWJEUQIMYSHP-UHFFFAOYSA-N 0 0 333.775 3.201 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000898402668 1310714899 /nfs/dbraw/zinc/71/48/99/1310714899.db2.gz DMNUDWZQZGKMGB-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1C ZINC000899019287 1310912859 /nfs/dbraw/zinc/91/28/59/1310912859.db2.gz HNICTLLYLQHNGP-HWPZZCPQSA-N 0 0 342.342 3.096 10 5 EGBERN C[C@H]1CC2(CC(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)CO1 ZINC000929211677 1328537426 /nfs/dbraw/zinc/53/74/26/1328537426.db2.gz KMCKABBXJUUJLJ-IEBVAXJPSA-N 0 0 339.779 3.327 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000857599564 1328560226 /nfs/dbraw/zinc/56/02/26/1328560226.db2.gz FTBONOXKEAFIJR-WCBMZHEXSA-N 0 0 343.177 3.111 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929324018 1328568055 /nfs/dbraw/zinc/56/80/55/1328568055.db2.gz UTKJTXCSYPBBHT-IAGOWNOFSA-N 0 0 328.343 3.496 10 5 EGBERN CCOc1cncc(COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000857666188 1328580033 /nfs/dbraw/zinc/58/00/33/1328580033.db2.gz NXYYYTMZBLKOQI-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN CNc1nccc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000899376956 1317009699 /nfs/dbraw/zinc/00/96/99/1317009699.db2.gz SHDQSHWFMDGXOG-WFASDCNBSA-N 0 0 340.383 3.255 10 5 EGBERN Cc1nc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH]c1C ZINC000899506751 1317061436 /nfs/dbraw/zinc/06/14/36/1317061436.db2.gz YLZZGFDJFDXKTP-UHFFFAOYSA-N 0 0 342.399 3.263 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2ncccn2)C1 ZINC000899536664 1317078229 /nfs/dbraw/zinc/07/82/29/1317078229.db2.gz GHWNAOQVRZJWOI-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1([C@@H]2CCCCO2)CC1 ZINC000930159371 1328801219 /nfs/dbraw/zinc/80/12/19/1328801219.db2.gz GLTWLYWUEKBSFA-ZDUSSCGKSA-N 0 0 339.779 3.471 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ncoc1C1CC1 ZINC000913386210 1319021667 /nfs/dbraw/zinc/02/16/67/1319021667.db2.gz QQBRPPJWUMZDNJ-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC000916073046 1319597699 /nfs/dbraw/zinc/59/76/99/1319597699.db2.gz LBQZNAIRBAPENB-UHFFFAOYSA-N 0 0 345.270 3.017 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000858737437 1328846422 /nfs/dbraw/zinc/84/64/22/1328846422.db2.gz YDEOEOZFDXNKBI-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000858735903 1328847046 /nfs/dbraw/zinc/84/70/46/1328847046.db2.gz YJHLURLDTAUVQD-CYBMUJFWSA-N 0 0 327.340 3.207 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858737812 1328847229 /nfs/dbraw/zinc/84/72/29/1328847229.db2.gz FARCTPNHQBCXET-ZDUSSCGKSA-N 0 0 327.340 3.207 10 5 EGBERN CSCCCCCCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000858752782 1328852606 /nfs/dbraw/zinc/85/26/06/1328852606.db2.gz COLGGQPPXBSOKP-UHFFFAOYSA-N 0 0 339.421 3.153 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=S)Nc1ccccc1C ZINC000917594731 1319845262 /nfs/dbraw/zinc/84/52/62/1319845262.db2.gz ZVPWORBKXOWUSU-UHFFFAOYSA-N 0 0 331.397 3.398 10 5 EGBERN COC(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000917803800 1319872976 /nfs/dbraw/zinc/87/29/76/1319872976.db2.gz MSESFNTZQSWJNY-UHFFFAOYSA-N 0 0 341.728 3.316 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000858775870 1328857435 /nfs/dbraw/zinc/85/74/35/1328857435.db2.gz IFYORGBFTZOUKT-SMNIWUJVSA-N 0 0 334.372 3.005 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1ccccc1F ZINC000918535212 1319971753 /nfs/dbraw/zinc/97/17/53/1319971753.db2.gz YADPAPSWPBQBLJ-UHFFFAOYSA-N 0 0 333.315 3.419 10 5 EGBERN CC(C)(CCc1nc(-c2c[nH]c(=O)c3sccc32)no1)[N+](=O)[O-] ZINC000858823584 1328868003 /nfs/dbraw/zinc/86/80/03/1328868003.db2.gz YWZQDCGVOJAEBJ-UHFFFAOYSA-N 0 0 334.357 3.040 10 5 EGBERN CC1(c2noc(Cn3ncc4ccc([N+](=O)[O-])cc43)n2)CCCC1 ZINC000858853756 1328876911 /nfs/dbraw/zinc/87/69/11/1328876911.db2.gz XICIWEGHWCNZLE-UHFFFAOYSA-N 0 0 327.344 3.208 10 5 EGBERN COc1cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccc1C ZINC000930519467 1328885414 /nfs/dbraw/zinc/88/54/14/1328885414.db2.gz JGYTXFGJLQKCHQ-UHFFFAOYSA-N 0 0 346.358 3.300 10 5 EGBERN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619073 1328917197 /nfs/dbraw/zinc/91/71/97/1328917197.db2.gz CTEMRZOVRJUDDZ-CQSZACIVSA-N 0 0 340.383 3.212 10 5 EGBERN O=C(OCc1cccc(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000859104756 1328923717 /nfs/dbraw/zinc/92/37/17/1328923717.db2.gz RBWSXRAZQPEICC-UHFFFAOYSA-N 0 0 347.758 3.338 10 5 EGBERN CC(C)(C)c1noc(CCC(=O)OCc2csc([N+](=O)[O-])c2)n1 ZINC000919125620 1322030379 /nfs/dbraw/zinc/03/03/79/1322030379.db2.gz SKVRZGDLSMWUNA-UHFFFAOYSA-N 0 0 339.373 3.013 10 5 EGBERN COc1cc(C(=O)OC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000920333285 1322164336 /nfs/dbraw/zinc/16/43/36/1322164336.db2.gz MTXPNQLCUDILTE-YUMQZZPRSA-N 0 0 331.271 3.018 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000920966885 1322239129 /nfs/dbraw/zinc/23/91/29/1322239129.db2.gz RBWLLHZDSDANTH-GOSISDBHSA-N 0 0 325.368 3.328 10 5 EGBERN CN(Cc1ccns1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930952535 1329014985 /nfs/dbraw/zinc/01/49/85/1329014985.db2.gz FZPIONPZJVKTCS-UHFFFAOYSA-N 0 0 342.218 3.446 10 5 EGBERN CC(C)(C(=O)OCc1cc(CO)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000859564715 1329018574 /nfs/dbraw/zinc/01/85/74/1329018574.db2.gz LYPSZYKAPLFZFY-UHFFFAOYSA-N 0 0 347.342 3.247 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC000922134579 1322463095 /nfs/dbraw/zinc/46/30/95/1322463095.db2.gz IPTCCJCIVBNFEO-ZYHUDNBSSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1ccc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922171006 1322470871 /nfs/dbraw/zinc/47/08/71/1322470871.db2.gz GPRGUNAKGRVWKY-CMPLNLGQSA-N 0 0 333.262 3.170 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000923223099 1322713900 /nfs/dbraw/zinc/71/39/00/1322713900.db2.gz BBECVNMQMCOXEL-UHFFFAOYSA-N 0 0 345.298 3.348 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000923289269 1322726298 /nfs/dbraw/zinc/72/62/98/1322726298.db2.gz OLCMOHCMJVJDLW-YGRLFVJLSA-N 0 0 327.331 3.390 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000923885611 1322836504 /nfs/dbraw/zinc/83/65/04/1322836504.db2.gz GKTBYUKNQPXHTL-ZFWWWQNUSA-N 0 0 329.356 3.453 10 5 EGBERN Cc1c(Cc2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000923950870 1322853680 /nfs/dbraw/zinc/85/36/80/1322853680.db2.gz NOMVQBYYTAZDSY-ZBFHGGJFSA-N 0 0 343.383 3.377 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000923962446 1322856809 /nfs/dbraw/zinc/85/68/09/1322856809.db2.gz NMBJIISDTMDWIW-INWMFGNUSA-N 0 0 337.347 3.167 10 5 EGBERN C[C@@H](OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)C1CC1 ZINC000923967816 1322859570 /nfs/dbraw/zinc/85/95/70/1322859570.db2.gz RQTZKPQFGSZCPI-SECBINFHSA-N 0 0 325.748 3.092 10 5 EGBERN CCO[C@H](COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000924239191 1322948850 /nfs/dbraw/zinc/94/88/50/1322948850.db2.gz CSFXLTCCESIUAI-CQSZACIVSA-N 0 0 327.764 3.149 10 5 EGBERN C[C@@H]1C[C@@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924240217 1322948565 /nfs/dbraw/zinc/94/85/65/1322948565.db2.gz IIADCIUGWFTNGI-PWSUYJOCSA-N 0 0 327.764 3.149 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC[C@@H]1CCCCO1 ZINC000924241479 1322949197 /nfs/dbraw/zinc/94/91/97/1322949197.db2.gz XOLIYBGGNZMDDZ-LBPRGKRZSA-N 0 0 327.764 3.293 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924494885 1323037724 /nfs/dbraw/zinc/03/77/24/1323037724.db2.gz OGWUIYUWCZFDLW-PWSUYJOCSA-N 0 0 347.293 3.135 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000924954509 1323226630 /nfs/dbraw/zinc/22/66/30/1323226630.db2.gz IVQMAAXQVQPPCK-GFCCVEGCSA-N 0 0 330.388 3.376 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2c1nccc2Cl ZINC000924953954 1323227168 /nfs/dbraw/zinc/22/71/68/1323227168.db2.gz GMMMFBIPHUYHCZ-CQSZACIVSA-N 0 0 333.775 3.429 10 5 EGBERN CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810347 1329082822 /nfs/dbraw/zinc/08/28/22/1329082822.db2.gz MDCZVWRDPDNAED-VXGBXAGGSA-N 0 0 344.367 3.208 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ncc(C)cc1C ZINC000931496058 1329130206 /nfs/dbraw/zinc/13/02/06/1329130206.db2.gz QKKHIWWLGQJLMA-UHFFFAOYSA-N 0 0 328.372 3.491 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1([C@H]2CCCCO2)CC1 ZINC000931496934 1329130948 /nfs/dbraw/zinc/13/09/48/1329130948.db2.gz YHVCVKXXONSCAD-OAHLLOKOSA-N 0 0 333.388 3.380 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860117226 1329150994 /nfs/dbraw/zinc/15/09/94/1329150994.db2.gz GASRQZKDBUCPDB-BXKDBHETSA-N 0 0 348.580 3.465 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000931749419 1329176457 /nfs/dbraw/zinc/17/64/57/1329176457.db2.gz SSCIZNYSXWNXTM-JTQLQIEISA-N 0 0 337.376 3.309 10 5 EGBERN C[C@@H](NC(=O)N1CC(C)(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925247708 1325095932 /nfs/dbraw/zinc/09/59/32/1325095932.db2.gz UIGQNBWCFMUDQF-SNVBAGLBSA-N 0 0 327.331 3.343 10 5 EGBERN CC(C)(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860303003 1329303094 /nfs/dbraw/zinc/30/30/94/1329303094.db2.gz WZGJVZHALAIMCQ-CYBMUJFWSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(NCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860688778 1329344445 /nfs/dbraw/zinc/34/44/45/1329344445.db2.gz AIRYDSYLECFEIF-HNNXBMFYSA-N 0 0 328.368 3.437 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861068938 1329385069 /nfs/dbraw/zinc/38/50/69/1329385069.db2.gz FUVYNNNYFQLDFU-JTQLQIEISA-N 0 0 327.768 3.186 10 5 EGBERN CN(OCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069486 1329385248 /nfs/dbraw/zinc/38/52/48/1329385248.db2.gz PCDRRFVKAPDLOQ-UHFFFAOYSA-N 0 0 327.646 3.206 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927326434 1327973144 /nfs/dbraw/zinc/97/31/44/1327973144.db2.gz YPMAOHNTFMDTME-SCLBCKFNSA-N 0 0 326.327 3.148 10 5 EGBERN COc1c(C(=O)NCC2CCC(SC)CC2)cccc1[N+](=O)[O-] ZINC000927383416 1327996355 /nfs/dbraw/zinc/99/63/55/1327996355.db2.gz FTPQJKBVLCLGMF-UHFFFAOYSA-N 0 0 338.429 3.255 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC000928090778 1328195673 /nfs/dbraw/zinc/19/56/73/1328195673.db2.gz UWFGZCXJPOUCQM-CXAGYDPISA-N 0 0 344.342 3.413 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H]2COC(C)(C)C)ccc1[N+](=O)[O-] ZINC000928242363 1328250799 /nfs/dbraw/zinc/25/07/99/1328250799.db2.gz COUCVPRHSNENCL-ZDUSSCGKSA-N 0 0 336.388 3.023 10 5 EGBERN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246310 1328253775 /nfs/dbraw/zinc/25/37/75/1328253775.db2.gz AFNBWTZQRNAGMS-FMTVUPSXSA-N 0 0 348.399 3.140 10 5 EGBERN Cn1nccc1[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928374177 1328294141 /nfs/dbraw/zinc/29/41/41/1328294141.db2.gz HIMTYZBPLZITLN-AWEZNQCLSA-N 0 0 340.339 3.052 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000929116836 1328509830 /nfs/dbraw/zinc/50/98/30/1328509830.db2.gz BCZIVAUEVPXYFU-KBPBESRZSA-N 0 0 333.388 3.265 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000929132891 1328514896 /nfs/dbraw/zinc/51/48/96/1328514896.db2.gz IFUIUDUCRYRAAG-CMPLNLGQSA-N 0 0 332.278 3.342 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862121288 1329460213 /nfs/dbraw/zinc/46/02/13/1329460213.db2.gz GPFDMDQPWOZYFT-SJCJKPOMSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000862141648 1329461683 /nfs/dbraw/zinc/46/16/83/1329461683.db2.gz ISDVVPLRKQBWNC-DZGCQCFKSA-N 0 0 338.791 3.326 10 5 EGBERN C[C@H](CO)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862175706 1329464045 /nfs/dbraw/zinc/46/40/45/1329464045.db2.gz SSYLQFMUMVNUII-ACJLOTCBSA-N 0 0 342.395 3.371 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000862845214 1329514481 /nfs/dbraw/zinc/51/44/81/1329514481.db2.gz GIVKVSYYNXUWFN-KKMIYCERSA-N 0 0 332.400 3.056 10 5 EGBERN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863281098 1329543830 /nfs/dbraw/zinc/54/38/30/1329543830.db2.gz AKNUEFYBCSYAOV-GUYCJALGSA-N 0 0 326.352 3.045 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2cccs2)C1 ZINC000863591777 1329565060 /nfs/dbraw/zinc/56/50/60/1329565060.db2.gz BJDLVBISQQHSDC-UHFFFAOYSA-N 0 0 345.424 3.037 10 5 EGBERN Cc1ccc(N(CC2CC2)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000863600590 1329565692 /nfs/dbraw/zinc/56/56/92/1329565692.db2.gz ASVYPNUXXAOCMM-UHFFFAOYSA-N 0 0 345.330 3.200 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)OCC(F)(F)F ZINC000863849459 1329585577 /nfs/dbraw/zinc/58/55/77/1329585577.db2.gz IXPLZTGTDGHEFM-MRVPVSSYSA-N 0 0 338.307 3.028 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1cnn(C(C)(C)C)c1 ZINC000865477281 1329702988 /nfs/dbraw/zinc/70/29/88/1329702988.db2.gz BGNXPBXERPTCIS-UHFFFAOYSA-N 0 0 332.286 3.042 10 5 EGBERN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000865838473 1329743997 /nfs/dbraw/zinc/74/39/97/1329743997.db2.gz JETMIYZUAZXGTG-NSHDSACASA-N 0 0 343.412 3.303 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1F ZINC000865955519 1329754565 /nfs/dbraw/zinc/75/45/65/1329754565.db2.gz GQGKGBCCAJGUFI-JCURWCKSSA-N 0 0 332.306 3.116 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C(F)F)c1 ZINC000865971154 1329755711 /nfs/dbraw/zinc/75/57/11/1329755711.db2.gz ISGKGJZWXTZKAB-NFULHVNHSA-N 0 0 330.356 3.022 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccccc3F)CC2)c1 ZINC000866018353 1329759501 /nfs/dbraw/zinc/75/95/01/1329759501.db2.gz JBYQYJIPTZFUFY-UHFFFAOYSA-N 0 0 331.347 3.364 10 5 EGBERN O=C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CCCCCCN1 ZINC000866055711 1330060556 /nfs/dbraw/zinc/06/05/56/1330060556.db2.gz CPVCHSLSGCPDED-UHFFFAOYSA-N 0 0 348.428 3.091 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc2c1CCOC2 ZINC000866091938 1330064936 /nfs/dbraw/zinc/06/49/36/1330064936.db2.gz CNIPXPSKXPQCAY-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN CS[C@@H]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866125086 1330067806 /nfs/dbraw/zinc/06/78/06/1330067806.db2.gz YTQWAVMKWSADFM-DZGCQCFKSA-N 0 0 334.441 3.417 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000866145213 1330070373 /nfs/dbraw/zinc/07/03/73/1330070373.db2.gz IQPWVWPTPKVYGN-CQSZACIVSA-N 0 0 338.379 3.154 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000866157898 1330071935 /nfs/dbraw/zinc/07/19/35/1330071935.db2.gz DQCXVYHRCGLKBQ-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN COc1cc(NCc2nn(C)cc2C(F)F)c(F)cc1[N+](=O)[O-] ZINC000866194210 1330076726 /nfs/dbraw/zinc/07/67/26/1330076726.db2.gz UFIHBWOXMZQCJZ-UHFFFAOYSA-N 0 0 330.266 3.026 10 5 EGBERN Cn1ccnc1[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866451674 1330114073 /nfs/dbraw/zinc/11/40/73/1330114073.db2.gz OKWUSNGDFHTITL-XHSDSOJGSA-N 0 0 332.379 3.288 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000867829293 1330222533 /nfs/dbraw/zinc/22/25/33/1330222533.db2.gz YTHMJEUMRDCHNN-SECBINFHSA-N 0 0 334.269 3.077 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867959790 1330233740 /nfs/dbraw/zinc/23/37/40/1330233740.db2.gz FGBOLOACOFRCGJ-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1cncc([C@@H]2CCCN2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000868062945 1330245404 /nfs/dbraw/zinc/24/54/04/1330245404.db2.gz PUPCLYUHXOMMDH-INIZCTEOSA-N 0 0 340.383 3.345 10 5 EGBERN COc1cccc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868078912 1330246892 /nfs/dbraw/zinc/24/68/92/1330246892.db2.gz QAJOAYXPFANWON-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000868586319 1330297354 /nfs/dbraw/zinc/29/73/54/1330297354.db2.gz MDAQDBHDXPMQKN-QDMKHBRRSA-N 0 0 349.431 3.296 10 5 EGBERN CCOC(CN(CC)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000868769367 1330337119 /nfs/dbraw/zinc/33/71/19/1330337119.db2.gz RGWOUZAHVGGUIW-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000869053821 1330403778 /nfs/dbraw/zinc/40/37/78/1330403778.db2.gz UYISPEZQHVNRPX-OAHLLOKOSA-N 0 0 325.368 3.042 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2cccnc2)C1 ZINC000869054692 1330403923 /nfs/dbraw/zinc/40/39/23/1330403923.db2.gz HCNQXYKPGGJRHJ-JEJOPICUSA-N 0 0 337.379 3.409 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000869325633 1330463091 /nfs/dbraw/zinc/46/30/91/1330463091.db2.gz HRJSWDJDVPFZAJ-UHFFFAOYSA-N 0 0 340.354 3.424 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccns1 ZINC000869492387 1330510645 /nfs/dbraw/zinc/51/06/45/1330510645.db2.gz PGNCCUAYUMYUIO-LLVKDONJSA-N 0 0 331.397 3.350 10 5 EGBERN COCc1sccc1C(=O)OCc1ccc([N+](=O)[O-])cc1OC ZINC000869802973 1330567027 /nfs/dbraw/zinc/56/70/27/1330567027.db2.gz AMTJZVSCFXYIHA-UHFFFAOYSA-N 0 0 337.353 3.168 10 5 EGBERN Cn1nc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1Cl ZINC000869810220 1330568412 /nfs/dbraw/zinc/56/84/12/1330568412.db2.gz GHFBSDIMWXJDPY-UHFFFAOYSA-N 0 0 349.774 3.147 10 5 EGBERN CCc1nocc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811936 1330569482 /nfs/dbraw/zinc/56/94/82/1330569482.db2.gz VXIFQSIULKQLTN-UHFFFAOYSA-N 0 0 330.340 3.310 10 5 EGBERN CCO[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000869876484 1330580880 /nfs/dbraw/zinc/58/08/80/1330580880.db2.gz CQXOIFFVNXUEDX-LRDDRELGSA-N 0 0 337.372 3.031 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c(Cl)n[nH]c1C1CC1 ZINC000869900976 1330586415 /nfs/dbraw/zinc/58/64/15/1330586415.db2.gz KKNNEUKHEGPYSJ-UHFFFAOYSA-N 0 0 339.710 3.345 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000952882611 1334587333 /nfs/dbraw/zinc/58/73/33/1334587333.db2.gz GSKAECJEJCMFQP-UHFFFAOYSA-N 0 0 333.319 3.054 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)c1c(Br)cncc1[N+](=O)[O-] ZINC000952883616 1334587636 /nfs/dbraw/zinc/58/76/36/1334587636.db2.gz XXAQSKKEJIEJAM-WPRPVWTQSA-N 0 0 342.193 3.061 10 5 EGBERN Cc1ccc(NC(=O)c2cnc(Br)s2)cc1[N+](=O)[O-] ZINC001124406274 1372698903 /nfs/dbraw/zinc/69/89/03/1372698903.db2.gz MEVFVSOFUDNJAW-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nccc2ccncc21 ZINC001183367512 1387303698 /nfs/dbraw/zinc/30/36/98/1387303698.db2.gz IIMFCGSPKPUIOS-UHFFFAOYSA-N 0 0 340.314 3.248 10 5 EGBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001183879203 1387365608 /nfs/dbraw/zinc/36/56/08/1387365608.db2.gz SCQGCNSRTSIUPO-IACUBPJLSA-N 0 0 326.356 3.360 10 5 EGBERN COc1ccc2cc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])ccc2c1 ZINC001184703353 1387514746 /nfs/dbraw/zinc/51/47/46/1387514746.db2.gz NAMIXYFYDJFRIC-UHFFFAOYSA-N 0 0 325.324 3.469 10 5 EGBERN Cc1cc(NC[C@H]2CCCCS2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185907067 1387825923 /nfs/dbraw/zinc/82/59/23/1387825923.db2.gz ZIJKQJHANWSBMV-OAHLLOKOSA-N 0 0 344.440 3.480 10 5 EGBERN C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC001186034283 1387852791 /nfs/dbraw/zinc/85/27/91/1387852791.db2.gz MLPXCZDKJGOIJO-CQSZACIVSA-N 0 0 325.727 3.102 10 5 EGBERN C[C@@H](c1ccccc1)N(CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001192390596 1367770520 /nfs/dbraw/zinc/77/05/20/1367770520.db2.gz NKNZZMIDOAPTKT-LBPRGKRZSA-N 0 0 336.338 3.429 10 5 EGBERN CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cc(F)ccc21 ZINC001195728214 1368478617 /nfs/dbraw/zinc/47/86/17/1368478617.db2.gz DCHMVFCKDMRRDK-UHFFFAOYSA-N 0 0 343.358 3.131 10 5 EGBERN CC[C@@H]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001186478744 1387951624 /nfs/dbraw/zinc/95/16/24/1387951624.db2.gz DQUBWKQJWBWRSK-VXGBXAGGSA-N 0 0 326.418 3.237 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)c1cccc2cc[nH]c21 ZINC001196773882 1368681152 /nfs/dbraw/zinc/68/11/52/1368681152.db2.gz VMTHIJBMAFOLRC-UHFFFAOYSA-N 0 0 338.367 3.459 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc1OC(F)F ZINC001186680703 1387997725 /nfs/dbraw/zinc/99/77/25/1387997725.db2.gz HBKSRGQCESUADM-KCJUWKMLSA-N 0 0 338.257 3.157 10 5 EGBERN CCO[C@@H]1CCC[C@H]1Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186680710 1387997874 /nfs/dbraw/zinc/99/78/74/1387997874.db2.gz HCLDZHRQAIVOKS-HZPDHXFCSA-N 0 0 342.399 3.152 10 5 EGBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC001187282393 1388087252 /nfs/dbraw/zinc/08/72/52/1388087252.db2.gz VZNDPKMMIUXUCX-MLUIRONXSA-N 0 0 332.200 3.337 10 5 EGBERN O=C1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)Oc2ccccc21 ZINC001187341199 1388097204 /nfs/dbraw/zinc/09/72/04/1388097204.db2.gz RRQDMCSIWMGHAR-JTQLQIEISA-N 0 0 333.731 3.089 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC001118455419 1371184229 /nfs/dbraw/zinc/18/42/29/1371184229.db2.gz UXJUKIJHNIYILQ-NSHDSACASA-N 0 0 333.262 3.338 10 5 EGBERN O=C(Nc1ccc2c(c1)CCOC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118633949 1371208777 /nfs/dbraw/zinc/20/87/77/1371208777.db2.gz INGCYOZGIROVCA-UHFFFAOYSA-N 0 0 339.351 3.215 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001118735590 1371218655 /nfs/dbraw/zinc/21/86/55/1371218655.db2.gz KXDKAWKSQJIYAZ-PIZKADEWSA-N 0 0 330.384 3.168 10 5 EGBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001187541708 1388122974 /nfs/dbraw/zinc/12/29/74/1388122974.db2.gz MSUFCLZNZGTPAY-XIKOKIGWSA-N 0 0 346.383 3.454 10 5 EGBERN O=C(Nc1ccc(Br)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001326203910 1388126855 /nfs/dbraw/zinc/12/68/55/1388126855.db2.gz IESRZQMKLMFLCX-UHFFFAOYSA-N 0 0 337.129 3.315 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2c3ccccc3OC[C@H]2F)nc2sccn21 ZINC001187586446 1388128062 /nfs/dbraw/zinc/12/80/62/1388128062.db2.gz NMOVDXBDPRXIPQ-KOLCDFICSA-N 0 0 334.332 3.188 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CC[C@@H]4C[C@@H]43)c2c1 ZINC001187632879 1388133275 /nfs/dbraw/zinc/13/32/75/1388133275.db2.gz FHKRBXPDPFDWST-OUCADQQQSA-N 0 0 327.384 3.422 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001187654931 1388138010 /nfs/dbraw/zinc/13/80/10/1388138010.db2.gz USPCWECFGKECQX-BDAKNGLRSA-N 0 0 332.278 3.367 10 5 EGBERN CN(Cc1cccc(=O)[nH]1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001187708604 1388147673 /nfs/dbraw/zinc/14/76/73/1388147673.db2.gz JCTQVEHWORGHKC-UHFFFAOYSA-N 0 0 336.351 3.394 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cnn3c2CCCC3)c1C ZINC001123119203 1372384438 /nfs/dbraw/zinc/38/44/38/1372384438.db2.gz FVDBXWMFLZHRLJ-UHFFFAOYSA-N 0 0 329.356 3.101 10 5 EGBERN Cc1cnc(C(=O)O[C@@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])cc1C ZINC001123132395 1372385998 /nfs/dbraw/zinc/38/59/98/1372385998.db2.gz IZRUTRYWNWAKOW-MLGOLLRUSA-N 0 0 332.331 3.401 10 5 EGBERN C[C@H](COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001123247559 1372406813 /nfs/dbraw/zinc/40/68/13/1372406813.db2.gz MAOKIBJNIWALFM-CYBMUJFWSA-N 0 0 335.400 3.478 10 5 EGBERN COc1cccc(C(=O)OCC2([C@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC001123258334 1372408888 /nfs/dbraw/zinc/40/88/88/1372408888.db2.gz XJRLDGOTSRXIAP-OAHLLOKOSA-N 0 0 349.383 3.500 10 5 EGBERN CSc1cccc(C(=O)OCCCN(C)CC(F)F)c1[N+](=O)[O-] ZINC001123263308 1372409821 /nfs/dbraw/zinc/40/98/21/1372409821.db2.gz BOAISAIMBMGNRM-UHFFFAOYSA-N 0 0 348.371 3.061 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001123487802 1372487693 /nfs/dbraw/zinc/48/76/93/1372487693.db2.gz VAPFURRGOSGTDD-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](CCOC)c2cccnc2)cc1[N+](=O)[O-] ZINC001123889621 1372618637 /nfs/dbraw/zinc/61/86/37/1372618637.db2.gz NGIYXMCTTXEREZ-INIZCTEOSA-N 0 0 343.383 3.060 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001124006709 1372655892 /nfs/dbraw/zinc/65/58/92/1372655892.db2.gz POFUKUHIDGSCON-JQFCIGGWSA-N 0 0 332.400 3.258 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cn(-c2ccccc2)cn1 ZINC001124076050 1372669192 /nfs/dbraw/zinc/66/91/92/1372669192.db2.gz RSCFRUQSGFKFOO-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN O=C(C[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001124332943 1372692714 /nfs/dbraw/zinc/69/27/14/1372692714.db2.gz VGRVZFPQIMRQTM-LLVKDONJSA-N 0 0 348.742 3.417 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncc2cc(Cl)ccn21 ZINC001124395959 1372698329 /nfs/dbraw/zinc/69/83/29/1372698329.db2.gz CIWDAZONSUWFSG-UHFFFAOYSA-N 0 0 334.694 3.287 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001124462391 1372703666 /nfs/dbraw/zinc/70/36/66/1372703666.db2.gz OLAIEYFEWBHRQL-INIZCTEOSA-N 0 0 348.790 3.021 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)Oc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001125083339 1372752233 /nfs/dbraw/zinc/75/22/33/1372752233.db2.gz DIZPEQRIUUPHOQ-QGZVFWFLSA-N 0 0 340.335 3.310 10 5 EGBERN C/C=C\COc1cccc(CC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001125155789 1372757044 /nfs/dbraw/zinc/75/70/44/1372757044.db2.gz PFOOBHJOMPZKJA-IHWYPQMZSA-N 0 0 340.379 3.409 10 5 EGBERN C[C@@H](OCc1ccc(F)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125485680 1372794616 /nfs/dbraw/zinc/79/46/16/1372794616.db2.gz OLUWVFOFJWTKES-GFCCVEGCSA-N 0 0 333.315 3.382 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1Cc1cc(-c2ccccc2Cl)on1 ZINC001188063094 1388232433 /nfs/dbraw/zinc/23/24/33/1388232433.db2.gz TWRVKXQIGHJJLC-UHFFFAOYSA-N 0 0 331.715 3.113 10 5 EGBERN C[S@](=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126243486 1372952084 /nfs/dbraw/zinc/95/20/84/1372952084.db2.gz UPOUVKOYFQKKIW-YPCHGGDPSA-N 0 0 344.392 3.074 10 5 EGBERN COC(=O)c1cc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001126373424 1372961216 /nfs/dbraw/zinc/96/12/16/1372961216.db2.gz YMMQGOFDFKFFDI-GHMZBOCLSA-N 0 0 334.372 3.392 10 5 EGBERN COC(=O)c1cc(NC(=O)/C(C)=C/c2ccco2)cc([N+](=O)[O-])c1 ZINC001126372865 1372961459 /nfs/dbraw/zinc/96/14/59/1372961459.db2.gz MUCYEFSVBFTSGD-UXBLZVDNSA-N 0 0 330.296 3.016 10 5 EGBERN CC(C)(C)Oc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001126508542 1372970872 /nfs/dbraw/zinc/97/08/72/1372970872.db2.gz SRXUQBJGFOLMTN-UHFFFAOYSA-N 0 0 329.356 3.097 10 5 EGBERN CCOc1cccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001126783625 1373022678 /nfs/dbraw/zinc/02/26/78/1373022678.db2.gz DXCKATPLAFYCBP-YFHOEESVSA-N 0 0 327.340 3.349 10 5 EGBERN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1N1CCCC1 ZINC001126841205 1373039559 /nfs/dbraw/zinc/03/95/59/1373039559.db2.gz ZGTRLQZGYJWOSM-UHFFFAOYSA-N 0 0 344.346 3.006 10 5 EGBERN O=C(c1ccnc(-c2ccco2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126896192 1373048193 /nfs/dbraw/zinc/04/81/93/1373048193.db2.gz JELBFHKQLOTJQV-UHFFFAOYSA-N 0 0 349.346 3.448 10 5 EGBERN C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126896345 1373048256 /nfs/dbraw/zinc/04/82/56/1373048256.db2.gz MRCQODZWJZHPND-AZUAARDMSA-N 0 0 336.391 3.457 10 5 EGBERN Cc1ncccc1/C=C\C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001126953543 1373056855 /nfs/dbraw/zinc/05/68/55/1373056855.db2.gz ZARWICCFXHMQKT-UITAMQMPSA-N 0 0 334.335 3.498 10 5 EGBERN Cc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001127615515 1373148505 /nfs/dbraw/zinc/14/85/05/1373148505.db2.gz ITDWYYQLYSEOHD-UHFFFAOYSA-N 0 0 335.310 3.500 10 5 EGBERN O=C(c1ccc2cnccc2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001127623504 1373149232 /nfs/dbraw/zinc/14/92/32/1373149232.db2.gz WCTVEFPVDNSJNO-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)(C)O1 ZINC001127641322 1373152206 /nfs/dbraw/zinc/15/22/06/1373152206.db2.gz MVSIFLNDGQRAMA-OAGGEKHMSA-N 0 0 346.427 3.027 10 5 EGBERN CC[C@@H](OC(=O)Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001127733590 1373170334 /nfs/dbraw/zinc/17/03/34/1373170334.db2.gz VJGRKNXMNLCEHV-QGZVFWFLSA-N 0 0 339.351 3.480 10 5 EGBERN O=C(c1cccc2cc(=O)[nH]cc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127748232 1373173044 /nfs/dbraw/zinc/17/30/44/1373173044.db2.gz KVVWJAMACVUBPN-UHFFFAOYSA-N 0 0 349.346 3.442 10 5 EGBERN CC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(C)c1 ZINC001127759362 1373175727 /nfs/dbraw/zinc/17/57/27/1373175727.db2.gz UHSXPCOSZDYVBS-OAHLLOKOSA-N 0 0 335.335 3.323 10 5 EGBERN Cc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(C)n1C ZINC001127864950 1373192363 /nfs/dbraw/zinc/19/23/63/1373192363.db2.gz ZGYFUWPJVKZQFQ-UHFFFAOYSA-N 0 0 338.367 3.081 10 5 EGBERN CN(C)c1ccc(COC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001128002517 1373207998 /nfs/dbraw/zinc/20/79/98/1373207998.db2.gz JOEDGUGUNOKLBM-YOEHRIQHSA-N 0 0 348.399 3.052 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1cc(Cl)cc2ccccc21 ZINC001128216881 1373236253 /nfs/dbraw/zinc/23/62/53/1373236253.db2.gz KYAITQQKJYGMKU-UHFFFAOYSA-N 0 0 344.758 3.316 10 5 EGBERN C[C@H]1CCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128325314 1373251341 /nfs/dbraw/zinc/25/13/41/1373251341.db2.gz NHQCOBXDLGGOED-AAEUAGOBSA-N 0 0 327.384 3.496 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ncnc2ccsc21 ZINC001128510960 1373279624 /nfs/dbraw/zinc/27/96/24/1373279624.db2.gz QSSXCTVZCDDUQB-UHFFFAOYSA-N 0 0 344.352 3.251 10 5 EGBERN Cc1ccc2nc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)cn2c1 ZINC001128847949 1373316054 /nfs/dbraw/zinc/31/60/54/1373316054.db2.gz XKNFAIPURPQRDT-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(Nc1nc2c(s1)CSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001128909391 1373323541 /nfs/dbraw/zinc/32/35/41/1373323541.db2.gz HZBBUMGZDRECLO-UHFFFAOYSA-N 0 0 339.373 3.232 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(NC2CC2)nc1 ZINC001128951448 1373327450 /nfs/dbraw/zinc/32/74/50/1373327450.db2.gz MDPDFTQLNBDPSF-UHFFFAOYSA-N 0 0 332.747 3.470 10 5 EGBERN O=C(Cc1ccc(Cl)cn1)Nc1cccc([N+](=O)[O-])c1Cl ZINC001128950684 1373327453 /nfs/dbraw/zinc/32/74/53/1373327453.db2.gz AAUQUTWVWIHHGO-UHFFFAOYSA-N 0 0 326.139 3.478 10 5 EGBERN CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC001128971256 1373329355 /nfs/dbraw/zinc/32/93/55/1373329355.db2.gz QSAOWYBFRMJYQB-KRWDZBQOSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1c2occ(CC(=O)Nc3c([N+](=O)[O-])ncn3C)c2ccc1Cl ZINC001128985401 1373331067 /nfs/dbraw/zinc/33/10/67/1373331067.db2.gz RNASNEATXJNMBV-UHFFFAOYSA-N 0 0 348.746 3.218 10 5 EGBERN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C ZINC001129007400 1373334819 /nfs/dbraw/zinc/33/48/19/1373334819.db2.gz QYBBRKHJUFZOTF-AWEZNQCLSA-N 0 0 336.388 3.311 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C)Cc1ccccc1 ZINC001129162751 1373355521 /nfs/dbraw/zinc/35/55/21/1373355521.db2.gz FUUMORKOKPWTPB-CQSZACIVSA-N 0 0 346.358 3.030 10 5 EGBERN O=C(Nc1ccnn1-c1ccccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001129160874 1373355723 /nfs/dbraw/zinc/35/57/23/1373355723.db2.gz DFDIZRDZPVHJFM-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1cccc(COCC(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001129247097 1373364557 /nfs/dbraw/zinc/36/45/57/1373364557.db2.gz DTKAKIBMVDULGR-UHFFFAOYSA-N 0 0 329.352 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2COc3ccccc32)cc1Cl ZINC001129562800 1373398312 /nfs/dbraw/zinc/39/83/12/1373398312.db2.gz GPEHFPJTNGOWAW-NSHDSACASA-N 0 0 346.770 3.463 10 5 EGBERN CC1(C)CCC[C@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001129632877 1373405101 /nfs/dbraw/zinc/40/51/01/1373405101.db2.gz DXZHYLFQKXBEGZ-ZDUSSCGKSA-N 0 0 344.371 3.301 10 5 EGBERN CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(Cl)n1 ZINC001129657195 1373408907 /nfs/dbraw/zinc/40/89/07/1373408907.db2.gz RJGYIHIWMYYVGJ-UHFFFAOYSA-N 0 0 337.788 3.398 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC1(C)C ZINC001130045076 1373448359 /nfs/dbraw/zinc/44/83/59/1373448359.db2.gz JAWZFQVKOVOFMV-HZPDHXFCSA-N 0 0 342.399 3.335 10 5 EGBERN CCc1cccc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC001130178562 1373470752 /nfs/dbraw/zinc/47/07/52/1373470752.db2.gz MAANCAXDWKZYMJ-UHFFFAOYSA-N 0 0 343.335 3.285 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1(c2ccccc2Cl)CC1 ZINC001130258685 1373480047 /nfs/dbraw/zinc/48/00/47/1373480047.db2.gz ZVJJZPCTCULICX-UHFFFAOYSA-N 0 0 346.770 3.433 10 5 EGBERN CC(C)Oc1cncc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001130304653 1373487914 /nfs/dbraw/zinc/48/79/14/1373487914.db2.gz PIUMLRUKKBYKLY-UHFFFAOYSA-N 0 0 336.735 3.078 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC001130569685 1373562072 /nfs/dbraw/zinc/56/20/72/1373562072.db2.gz ATJZOSMCAMXBHU-UHFFFAOYSA-N 0 0 349.368 3.259 10 5 EGBERN COc1cccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001130869369 1373600139 /nfs/dbraw/zinc/60/01/39/1373600139.db2.gz IYUIHMKPCZWGFD-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cn1ncc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1C(F)F ZINC001130956589 1373615590 /nfs/dbraw/zinc/61/55/90/1373615590.db2.gz CVDBHVJMWWDVFQ-UHFFFAOYSA-N 0 0 347.281 3.066 10 5 EGBERN CCNc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1[N+](=O)[O-] ZINC001131157930 1373655680 /nfs/dbraw/zinc/65/56/80/1373655680.db2.gz LPDXDZIKJOQIEX-UHFFFAOYSA-N 0 0 342.355 3.237 10 5 EGBERN Cc1cccn2c(NC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])cnc12 ZINC001131188440 1373659295 /nfs/dbraw/zinc/65/92/95/1373659295.db2.gz IUHFJBGTLGEFOS-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN C[C@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001131254819 1373669959 /nfs/dbraw/zinc/66/99/59/1373669959.db2.gz ZWUMZRZONUMVDI-JTQLQIEISA-N 0 0 348.305 3.469 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)CCC2 ZINC001131432520 1373697060 /nfs/dbraw/zinc/69/70/60/1373697060.db2.gz ZIMSTAUIFXCLNM-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1nsc2ccccc12 ZINC001131469898 1373704476 /nfs/dbraw/zinc/70/44/76/1373704476.db2.gz OOBCFJXAIFMLCC-UHFFFAOYSA-N 0 0 341.392 3.106 10 5 EGBERN CCNc1ccc(C(=O)NCC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC001131557387 1373720096 /nfs/dbraw/zinc/72/00/96/1373720096.db2.gz VNGNEEGFAVHMDS-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN COc1cccc(C(=O)OCc2ccc3c(c2)C[C@@H](C)O3)c1[N+](=O)[O-] ZINC001131788862 1373807056 /nfs/dbraw/zinc/80/70/56/1373807056.db2.gz CAORBOOPLZAICS-LLVKDONJSA-N 0 0 343.335 3.284 10 5 EGBERN Cc1nc(SCc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC001188557065 1388329980 /nfs/dbraw/zinc/32/99/80/1388329980.db2.gz PDQFCQXHDSJDBF-UHFFFAOYSA-N 0 0 329.179 3.076 10 5 EGBERN O=C(Nc1ccns1)c1sc(Br)cc1[N+](=O)[O-] ZINC001132326258 1375305150 /nfs/dbraw/zinc/30/51/50/1375305150.db2.gz HNAYMXODUMBMAN-UHFFFAOYSA-N 0 0 334.176 3.128 10 5 EGBERN CCc1ccccc1OCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001132419138 1375366907 /nfs/dbraw/zinc/36/69/07/1375366907.db2.gz ZTVGZPOLFABGLY-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(C)nc2ccccc21 ZINC001132747340 1375543382 /nfs/dbraw/zinc/54/33/82/1375543382.db2.gz LBBFMYUAFGIWET-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC001132750458 1375545475 /nfs/dbraw/zinc/54/54/75/1375545475.db2.gz MPCOLWYVEQPPFP-LLVKDONJSA-N 0 0 337.376 3.065 10 5 EGBERN C=C/C=C/CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001133048721 1375740889 /nfs/dbraw/zinc/74/08/89/1375740889.db2.gz GOHMZTVHVYHDPC-ONEGZZNKSA-N 0 0 325.162 3.219 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NCCC[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC001133303054 1375909366 /nfs/dbraw/zinc/90/93/66/1375909366.db2.gz IBEKHNKTGRTQPF-GFCCVEGCSA-N 0 0 333.344 3.288 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(C(F)(F)F)nc1 ZINC001133353322 1375938282 /nfs/dbraw/zinc/93/82/82/1375938282.db2.gz YJVYUUFJCCGYJW-SSDOTTSWSA-N 0 0 329.234 3.093 10 5 EGBERN O=C(NCc1ncc(Cl)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001133375069 1375955244 /nfs/dbraw/zinc/95/52/44/1375955244.db2.gz AWGNWNSTJALROP-UHFFFAOYSA-N 0 0 337.744 3.381 10 5 EGBERN CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)c(C)c1 ZINC001133440733 1376006720 /nfs/dbraw/zinc/00/67/20/1376006720.db2.gz WRRFYRSNPCHXPM-UHFFFAOYSA-N 0 0 346.314 3.438 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC001133493518 1376040199 /nfs/dbraw/zinc/04/01/99/1376040199.db2.gz SOXDMUAGAPMNPX-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN C[C@H](NC(=O)c1ncnc2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC001133706491 1376167719 /nfs/dbraw/zinc/16/77/19/1376167719.db2.gz NFICCYHMAQFGSZ-VIFPVBQESA-N 0 0 328.353 3.091 10 5 EGBERN CCn1cc(Cl)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001133952073 1376282217 /nfs/dbraw/zinc/28/22/17/1376282217.db2.gz YGXYNFOTOZSHQE-UHFFFAOYSA-N 0 0 334.719 3.463 10 5 EGBERN COc1c(Cl)cccc1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC001134297957 1376462215 /nfs/dbraw/zinc/46/22/15/1376462215.db2.gz NQHKJFSDSUDZHP-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC(C)c1cncc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC001134665066 1376646415 /nfs/dbraw/zinc/64/64/15/1376646415.db2.gz ACAPIFYMBAUJQC-UHFFFAOYSA-N 0 0 339.355 3.102 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134970172 1376818791 /nfs/dbraw/zinc/81/87/91/1376818791.db2.gz HEDAKTVLWISBHD-OLZOCXBDSA-N 0 0 346.333 3.482 10 5 EGBERN CC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001135962945 1377278282 /nfs/dbraw/zinc/27/82/82/1377278282.db2.gz NIHLEKWYOHIXLK-DLBZAZTESA-N 0 0 340.335 3.262 10 5 EGBERN CC(C)(C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001137107206 1377479725 /nfs/dbraw/zinc/47/97/25/1377479725.db2.gz JCQLKXIHSFIYPK-UHFFFAOYSA-N 0 0 326.352 3.120 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC2(CCCC2)c2ccccc21 ZINC001137207281 1377496614 /nfs/dbraw/zinc/49/66/14/1377496614.db2.gz HSLWOOFUOHSXAL-UHFFFAOYSA-N 0 0 346.774 3.444 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](CCO)c1ccccc1 ZINC001137439974 1377548732 /nfs/dbraw/zinc/54/87/32/1377548732.db2.gz KYRZFRLBAQNPDB-MRXNPFEDSA-N 0 0 346.358 3.238 10 5 EGBERN COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001137502723 1377557600 /nfs/dbraw/zinc/55/76/00/1377557600.db2.gz YDXNMAGCSQSXIG-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN COc1ccc(NC(=O)c2ccc3[nH]cc(C=O)c3c2)cc1[N+](=O)[O-] ZINC001137759992 1377611536 /nfs/dbraw/zinc/61/15/36/1377611536.db2.gz SFVNURRKQNQIMG-UHFFFAOYSA-N 0 0 339.307 3.150 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001138206010 1377689810 /nfs/dbraw/zinc/68/98/10/1377689810.db2.gz DLHGNAMXPXMNCK-UHFFFAOYSA-N 0 0 334.303 3.399 10 5 EGBERN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001139346238 1377871362 /nfs/dbraw/zinc/87/13/62/1377871362.db2.gz URHHUTHRUQWBIA-DIFFPNOSSA-N 0 0 330.388 3.304 10 5 EGBERN C[C@H]1C[C@H](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001139605147 1377916245 /nfs/dbraw/zinc/91/62/45/1377916245.db2.gz GNZRMYZBFSQECV-RYUDHWBXSA-N 0 0 334.420 3.154 10 5 EGBERN CCc1nnc([C@@H](C)OC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001327475883 1388530319 /nfs/dbraw/zinc/53/03/19/1388530319.db2.gz KZBNNXCDYBLKQC-MRVPVSSYSA-N 0 0 338.751 3.155 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccn1 ZINC001141030047 1378212649 /nfs/dbraw/zinc/21/26/49/1378212649.db2.gz LSNFRAACYKENNZ-UHFFFAOYSA-N 0 0 338.367 3.179 10 5 EGBERN CC(C)(C(=O)NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141576282 1378345929 /nfs/dbraw/zinc/34/59/29/1378345929.db2.gz YNDNLJUGVJLVGA-XQRVVYSFSA-N 0 0 343.358 3.236 10 5 EGBERN CSCc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC001141767595 1378372963 /nfs/dbraw/zinc/37/29/63/1378372963.db2.gz MCPAVYZTIVHQQD-UHFFFAOYSA-N 0 0 335.360 3.431 10 5 EGBERN O=C(C[C@@H]1OCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327585186 1388563452 /nfs/dbraw/zinc/56/34/52/1388563452.db2.gz HPQMBXJJGHRSKS-SFHVURJKSA-N 0 0 338.363 3.141 10 5 EGBERN CN(C)c1cc(F)c(C(=O)Nc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC001146518188 1378858533 /nfs/dbraw/zinc/85/85/33/1378858533.db2.gz ZTKJHOYUKCTTFW-UHFFFAOYSA-N 0 0 344.755 3.162 10 5 EGBERN CC1(C)CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC001147842937 1379089618 /nfs/dbraw/zinc/08/96/18/1379089618.db2.gz FIPCXRXGVFBTTK-UHFFFAOYSA-N 0 0 334.401 3.298 10 5 EGBERN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001148721904 1379253112 /nfs/dbraw/zinc/25/31/12/1379253112.db2.gz ZJBYDFNLDYADGK-ZBEGNZNMSA-N 0 0 348.786 3.143 10 5 EGBERN Cc1cccc([C@H](O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001150415527 1379551708 /nfs/dbraw/zinc/55/17/08/1379551708.db2.gz SIAMRDLHBZRREE-CQSZACIVSA-N 0 0 334.759 3.020 10 5 EGBERN CCCOc1cc(F)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001150445114 1379553780 /nfs/dbraw/zinc/55/37/80/1379553780.db2.gz FCWHSHLZAQDNKY-INIZCTEOSA-N 0 0 348.330 3.195 10 5 EGBERN C[C@H](CC(=O)c1cccs1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001151977456 1379829413 /nfs/dbraw/zinc/82/94/13/1379829413.db2.gz KDVWQOGDTDPMGY-SECBINFHSA-N 0 0 336.344 3.187 10 5 EGBERN CC1(C)CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001154471724 1380284603 /nfs/dbraw/zinc/28/46/03/1380284603.db2.gz YEWICCIGCUWCMY-JTQLQIEISA-N 0 0 334.401 3.298 10 5 EGBERN C[C@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1 ZINC001154728861 1380341254 /nfs/dbraw/zinc/34/12/54/1380341254.db2.gz XHYBYAUFNQGQLQ-ZANVPECISA-N 0 0 334.763 3.195 10 5 EGBERN C[C@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC001154845268 1380363535 /nfs/dbraw/zinc/36/35/35/1380363535.db2.gz RZUAGERFGNLDMV-LBPRGKRZSA-N 0 0 344.415 3.346 10 5 EGBERN CC[C@@H]1CCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845408 1380364007 /nfs/dbraw/zinc/36/40/07/1380364007.db2.gz TXYKNIFWMZMGKX-OCCSQVGLSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1cccc2[nH]ccc21 ZINC001155585889 1380470818 /nfs/dbraw/zinc/47/08/18/1380470818.db2.gz WINSMRXMJNBJTH-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1ccccc1CONC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001156009074 1380513121 /nfs/dbraw/zinc/51/31/21/1380513121.db2.gz NHTJWWLRKWBOKM-UHFFFAOYSA-N 0 0 330.340 3.082 10 5 EGBERN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc2c1CCCN2 ZINC001156506576 1380585733 /nfs/dbraw/zinc/58/57/33/1380585733.db2.gz TZYGUTJNFHQNEC-UHFFFAOYSA-N 0 0 329.331 3.369 10 5 EGBERN CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC001156708158 1380614402 /nfs/dbraw/zinc/61/44/02/1380614402.db2.gz OFUSYRPNQSEVMA-SNVBAGLBSA-N 0 0 325.796 3.481 10 5 EGBERN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC)cc1OC ZINC001158274244 1381181452 /nfs/dbraw/zinc/18/14/52/1381181452.db2.gz UBCFOPQXXAOKRH-UHFFFAOYSA-N 0 0 329.356 3.460 10 5 EGBERN Cc1ccc(CNC(=O)Cc2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] ZINC001287962530 1381451360 /nfs/dbraw/zinc/45/13/60/1381451360.db2.gz VDROKCPXJXHTDM-UHFFFAOYSA-N 0 0 341.342 3.383 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC001159063326 1381550333 /nfs/dbraw/zinc/55/03/33/1381550333.db2.gz JYKFJJMCTZREFO-UHFFFAOYSA-N 0 0 346.730 3.011 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC001159536499 1381819742 /nfs/dbraw/zinc/81/97/42/1381819742.db2.gz YXVOMLODOYQVQW-UHFFFAOYSA-N 0 0 348.362 3.183 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC001288512095 1381858281 /nfs/dbraw/zinc/85/82/81/1381858281.db2.gz MMIPQKDQEDXMTK-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(C2CCCCC2)n1 ZINC001159971564 1381954291 /nfs/dbraw/zinc/95/42/91/1381954291.db2.gz GJPLVRWVLQVICQ-UHFFFAOYSA-N 0 0 343.387 3.211 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N=[S@@]1(=O)CCc2ccccc21 ZINC001289029928 1381974319 /nfs/dbraw/zinc/97/43/19/1381974319.db2.gz QMDLBJCPMWMJGJ-XMMPIXPASA-N 0 0 344.392 3.435 10 5 EGBERN CC(C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001160066929 1381987270 /nfs/dbraw/zinc/98/72/70/1381987270.db2.gz IDINFBSEVDSGJX-INIZCTEOSA-N 0 0 344.367 3.134 10 5 EGBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001289904340 1382018902 /nfs/dbraw/zinc/01/89/02/1382018902.db2.gz REVNWCHXNMKJLJ-SECBINFHSA-N 0 0 337.376 3.352 10 5 EGBERN Nc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001160696977 1382173673 /nfs/dbraw/zinc/17/36/73/1382173673.db2.gz SAPIFPULLAEWFL-UHFFFAOYSA-N 0 0 342.286 3.223 10 5 EGBERN CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCC1CC1 ZINC001292860942 1382221662 /nfs/dbraw/zinc/22/16/62/1382221662.db2.gz TYDYXVQSRJPRHE-UHFFFAOYSA-N 0 0 343.431 3.228 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc(C(C)(C)C)cs1 ZINC001293184991 1382266122 /nfs/dbraw/zinc/26/61/22/1382266122.db2.gz ZCMNVAVUBPLWIS-SECBINFHSA-N 0 0 348.428 3.422 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccn1 ZINC001161022553 1382277218 /nfs/dbraw/zinc/27/72/18/1382277218.db2.gz CMYVWXLDOCKYTP-HNNXBMFYSA-N 0 0 338.367 3.212 10 5 EGBERN CCON(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001161093921 1382295057 /nfs/dbraw/zinc/29/50/57/1382295057.db2.gz BNDXYWKTMLLEPN-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN O=C(Nc1ccc(=O)[nH]c1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001161289979 1382361962 /nfs/dbraw/zinc/36/19/62/1382361962.db2.gz RRCGUEGCYASNDX-UHFFFAOYSA-N 0 0 346.101 3.394 10 5 EGBERN C=COc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC001161304546 1382366607 /nfs/dbraw/zinc/36/66/07/1382366607.db2.gz WPYFDYUVBUOIJQ-UHFFFAOYSA-N 0 0 342.336 3.374 10 5 EGBERN CNc1nc(C)ccc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294094213 1382416658 /nfs/dbraw/zinc/41/66/58/1382416658.db2.gz ILDANCSZQOAQJL-GFCCVEGCSA-N 0 0 328.372 3.139 10 5 EGBERN CC(C)(C)c1cnc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001294487073 1382462803 /nfs/dbraw/zinc/46/28/03/1382462803.db2.gz FDHSVOWWRILGPE-UHFFFAOYSA-N 0 0 337.763 3.464 10 5 EGBERN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccn1 ZINC001294687141 1382483505 /nfs/dbraw/zinc/48/35/05/1382483505.db2.gz MQATWBUFHFSORZ-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN COc1ccc(F)cc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001295099344 1382537198 /nfs/dbraw/zinc/53/71/98/1382537198.db2.gz WZTVYUCZPYJHDY-UHFFFAOYSA-N 0 0 346.314 3.344 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc3ccccc3nc2F)c1 ZINC001162139559 1382636676 /nfs/dbraw/zinc/63/66/76/1382636676.db2.gz DUYWBOVZEXTQPE-UHFFFAOYSA-N 0 0 343.270 3.256 10 5 EGBERN CCC(=O)Nc1cccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001162171525 1382648249 /nfs/dbraw/zinc/64/82/49/1382648249.db2.gz VFTOZLLSJRDJEH-UHFFFAOYSA-N 0 0 347.346 3.187 10 5 EGBERN COc1cc(NCc2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1OC ZINC001162352316 1382737983 /nfs/dbraw/zinc/73/79/83/1382737983.db2.gz ZDZFYKYCUBOMCK-UHFFFAOYSA-N 0 0 330.340 3.159 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(=O)[nH]1 ZINC001162748778 1382857489 /nfs/dbraw/zinc/85/74/89/1382857489.db2.gz SDGJOLLWISAZID-UHFFFAOYSA-N 0 0 333.369 3.368 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccnc(-c2ccco2)c1 ZINC001295987881 1382892125 /nfs/dbraw/zinc/89/21/25/1382892125.db2.gz DUYCRDOXHUXQOG-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN CC(C)(Nc1ccccc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295988118 1382892566 /nfs/dbraw/zinc/89/25/66/1382892566.db2.gz KGRYZEHWAJEHHP-UHFFFAOYSA-N 0 0 339.355 3.300 10 5 EGBERN CC(C)Oc1nc(N[C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001163353789 1383029409 /nfs/dbraw/zinc/02/94/09/1383029409.db2.gz TVPCJSCHPIURIL-BBRMVZONSA-N 0 0 339.436 3.478 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001163487763 1383062482 /nfs/dbraw/zinc/06/24/82/1383062482.db2.gz BYOGJPJDFVNFHI-JTQLQIEISA-N 0 0 340.339 3.491 10 5 EGBERN COc1cccc(CN2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC001163952333 1383139110 /nfs/dbraw/zinc/13/91/10/1383139110.db2.gz DWLIUDVUBXAVGS-UHFFFAOYSA-N 0 0 341.411 3.234 10 5 EGBERN CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccccc1 ZINC001164086603 1383154539 /nfs/dbraw/zinc/15/45/39/1383154539.db2.gz ZOPQBHBJPVVRMO-DOTOQJQBSA-N 0 0 338.367 3.462 10 5 EGBERN CN(C)c1cc(Nc2ncc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC001164201305 1383165488 /nfs/dbraw/zinc/16/54/88/1383165488.db2.gz ZQVXWUKXLOVYRE-UHFFFAOYSA-N 0 0 327.266 3.213 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Nc1cnn(C2CCC2)c1 ZINC001164234058 1383169196 /nfs/dbraw/zinc/16/91/96/1383169196.db2.gz IBQCGFYGJMDLBJ-UHFFFAOYSA-N 0 0 341.371 3.152 10 5 EGBERN COC(=O)C(C)(C)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164542128 1383197921 /nfs/dbraw/zinc/19/79/21/1383197921.db2.gz FUXSZHSNZUNZPZ-UHFFFAOYSA-N 0 0 326.399 3.496 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1CC(F)(F)c1ccc(F)cc1 ZINC001165446127 1383297445 /nfs/dbraw/zinc/29/74/45/1383297445.db2.gz SLTCZJZMMKGFOO-UHFFFAOYSA-N 0 0 349.268 3.236 10 5 EGBERN CC(F)(F)c1ccccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298072648 1383350609 /nfs/dbraw/zinc/35/06/09/1383350609.db2.gz MGDCUSRAGCXPKT-AWEZNQCLSA-N 0 0 336.294 3.379 10 5 EGBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])c3ccccc23)on1 ZINC001165851488 1383352486 /nfs/dbraw/zinc/35/24/86/1383352486.db2.gz UORDCHUCCUVSSZ-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN CCc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n[nH]1 ZINC001299776181 1383626915 /nfs/dbraw/zinc/62/69/15/1383626915.db2.gz PDPQIOUEMPYPPH-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN O=C(Nc1cnn(CCF)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001300895480 1383684905 /nfs/dbraw/zinc/68/49/05/1383684905.db2.gz POAQSPDPOMVXDA-UHFFFAOYSA-N 0 0 346.240 3.032 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cccc2c[nH]nc21 ZINC001301917516 1383735878 /nfs/dbraw/zinc/73/58/78/1383735878.db2.gz CYJVIIGQHQMURV-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnc(C)c(C)c2)c1 ZINC001303087639 1383782151 /nfs/dbraw/zinc/78/21/51/1383782151.db2.gz USHHGSZYWLBNHD-UHFFFAOYSA-N 0 0 329.356 3.323 10 5 EGBERN O=C(NCc1cc(O)ccc1Cl)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001303105141 1383782978 /nfs/dbraw/zinc/78/29/78/1383782978.db2.gz LLDJEKJPLJUZOB-LSDHHAIUSA-N 0 0 346.770 3.374 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001303573621 1383806950 /nfs/dbraw/zinc/80/69/50/1383806950.db2.gz UIHHPBKLJNJVBI-PSASIEDQSA-N 0 0 338.726 3.243 10 5 EGBERN C[C@H](CNC(=O)c1ccc(F)c(C=O)c1)c1ccccc1[N+](=O)[O-] ZINC001304194204 1383838974 /nfs/dbraw/zinc/83/89/74/1383838974.db2.gz SYPZHEHAADGTGO-LLVKDONJSA-N 0 0 330.315 3.080 10 5 EGBERN C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC(C)(C)C1 ZINC001306833320 1383908501 /nfs/dbraw/zinc/90/85/01/1383908501.db2.gz BNXIEYJQUBRXBJ-NEPJUHHUSA-N 0 0 335.404 3.278 10 5 EGBERN O=C(N[C@H]1CCc2cccc3cccc1c32)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306898879 1383917141 /nfs/dbraw/zinc/91/71/41/1383917141.db2.gz SLCHSMRUWVVIPG-INIZCTEOSA-N 0 0 349.346 3.266 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCc1nncn1-c1ccccc1 ZINC001306927467 1383922106 /nfs/dbraw/zinc/92/21/06/1383922106.db2.gz DIRZBLZFEVPXEX-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN CCN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001306934255 1383923031 /nfs/dbraw/zinc/92/30/31/1383923031.db2.gz GUUAKUYMYKDSHG-UHFFFAOYSA-N 0 0 333.775 3.374 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2CO)cc1C ZINC001306939943 1383923694 /nfs/dbraw/zinc/92/36/94/1383923694.db2.gz JSVXBYWDFGUKFJ-UHFFFAOYSA-N 0 0 344.367 3.184 10 5 EGBERN NC(=O)c1cc(N[C@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC001306943217 1383924486 /nfs/dbraw/zinc/92/44/86/1383924486.db2.gz ILOSGJGWQZXBPP-ZDUSSCGKSA-N 0 0 347.758 3.283 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC001306953897 1383926101 /nfs/dbraw/zinc/92/61/01/1383926101.db2.gz NWKUHQMQTKFXMH-UHFFFAOYSA-N 0 0 343.318 3.267 10 5 EGBERN Cc1nc(NC[C@H](O)c2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001306968261 1383928079 /nfs/dbraw/zinc/92/80/79/1383928079.db2.gz OHSGNVITPDYBJL-LBPRGKRZSA-N 0 0 343.170 3.146 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCC1 ZINC001307020304 1383933265 /nfs/dbraw/zinc/93/32/65/1383933265.db2.gz YCJSHLGLAIUAKN-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC001307071231 1383935928 /nfs/dbraw/zinc/93/59/28/1383935928.db2.gz SPAOOTYXHPBMLJ-CQSZACIVSA-N 0 0 347.321 3.481 10 5 EGBERN CN(C)c1nccc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n1 ZINC001307083090 1383938376 /nfs/dbraw/zinc/93/83/76/1383938376.db2.gz GIDZNKMRWFEHJB-UHFFFAOYSA-N 0 0 342.186 3.370 10 5 EGBERN COC(=O)[C@@H](C)Cc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001307088646 1383938745 /nfs/dbraw/zinc/93/87/45/1383938745.db2.gz CZWFNRHANWJGML-JTQLQIEISA-N 0 0 349.774 3.160 10 5 EGBERN Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC001307092865 1383939750 /nfs/dbraw/zinc/93/97/50/1383939750.db2.gz ANUDMWWPEANLMA-SNVBAGLBSA-N 0 0 341.433 3.410 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC001307149530 1383946060 /nfs/dbraw/zinc/94/60/60/1383946060.db2.gz LZLMVUCJDDHKLZ-OCCSQVGLSA-N 0 0 347.415 3.429 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1cncc(F)c1 ZINC001307209528 1383958066 /nfs/dbraw/zinc/95/80/66/1383958066.db2.gz DQIWPKGYMXTKEL-UHFFFAOYSA-N 0 0 332.722 3.365 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccc(F)nc2Br)n1 ZINC001307218860 1383959562 /nfs/dbraw/zinc/95/95/62/1383959562.db2.gz FYCNKFJINSMHDG-UHFFFAOYSA-N 0 0 341.140 3.207 10 5 EGBERN COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1 ZINC001307229335 1383961007 /nfs/dbraw/zinc/96/10/07/1383961007.db2.gz HVTWOADHMRBXGD-AWEZNQCLSA-N 0 0 344.327 3.248 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCc4cc(F)cc(F)c4C3)nc2c1 ZINC001307233673 1383962049 /nfs/dbraw/zinc/96/20/49/1383962049.db2.gz GRLSQXISZMKOLF-UHFFFAOYSA-N 0 0 330.294 3.312 10 5 EGBERN Nc1nc(SCCc2c(F)cccc2Cl)ncc1[N+](=O)[O-] ZINC001307346056 1383974205 /nfs/dbraw/zinc/97/42/05/1383974205.db2.gz VULIKUSMMBFGGW-UHFFFAOYSA-N 0 0 328.756 3.094 10 5 EGBERN Cc1cc2c(c(Cl)n1)C(=O)N(Cc1ccc(C)c([N+](=O)[O-])c1)C2=O ZINC001307341396 1383974297 /nfs/dbraw/zinc/97/42/97/1383974297.db2.gz DAETZVIHVHWORO-UHFFFAOYSA-N 0 0 345.742 3.056 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCc3cc(F)c(F)cc3C2)cc1 ZINC001308033416 1384077777 /nfs/dbraw/zinc/07/77/77/1384077777.db2.gz BLYYNBUWFTUNAJ-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001308034631 1384078058 /nfs/dbraw/zinc/07/80/58/1384078058.db2.gz HAIPNWUYXVDZTC-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1ccncc1Br)CC2 ZINC001169033713 1384094627 /nfs/dbraw/zinc/09/46/27/1384094627.db2.gz UCEVEJBVCJFWCQ-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN CC[C@H]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001312714686 1384367037 /nfs/dbraw/zinc/36/70/37/1384367037.db2.gz PFJUBJXBJIIXSA-UONOGXRCSA-N 0 0 347.415 3.194 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001313422859 1384417657 /nfs/dbraw/zinc/41/76/57/1384417657.db2.gz QMOCJYRUNKMZFM-LSDHHAIUSA-N 0 0 346.431 3.132 10 5 EGBERN COc1nscc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001176768920 1385689935 /nfs/dbraw/zinc/68/99/35/1385689935.db2.gz RJRVHTBMANTCPA-UHFFFAOYSA-N 0 0 345.739 3.034 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c(C)cccc1F ZINC001319131296 1385971102 /nfs/dbraw/zinc/97/11/02/1385971102.db2.gz KCLDOUNLVOLPHE-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN CCCCC(=O)N1CCC2(CN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001319393268 1386100865 /nfs/dbraw/zinc/10/08/65/1386100865.db2.gz QOWLQTAQZRLMCE-UHFFFAOYSA-N 0 0 345.443 3.209 10 5 EGBERN CC[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001178321059 1386187612 /nfs/dbraw/zinc/18/76/12/1386187612.db2.gz SWQLZYXKFAKUME-ZHZWZMEUSA-N 0 0 348.399 3.092 10 5 EGBERN Cc1cc(C(=O)Nc2ccc(Cl)c(N(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC001178456799 1386223366 /nfs/dbraw/zinc/22/33/66/1386223366.db2.gz YALYWLVOZZXGGM-UHFFFAOYSA-N 0 0 348.790 3.457 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1COCC[C@@H]1c1ccccc1 ZINC001179188129 1386420713 /nfs/dbraw/zinc/42/07/13/1386420713.db2.gz QISLTSKYUOKONJ-MRXNPFEDSA-N 0 0 330.315 3.295 10 5 EGBERN Cc1cccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)C(C)(C)C ZINC001180183668 1386723580 /nfs/dbraw/zinc/72/35/80/1386723580.db2.gz FTMSKEQQRJIMLG-INIZCTEOSA-N 0 0 342.399 3.398 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCOC12CCCC2 ZINC001180188810 1386726546 /nfs/dbraw/zinc/72/65/46/1386726546.db2.gz GRGRSTQBYFLQNS-CQSZACIVSA-N 0 0 338.791 3.009 10 5 EGBERN CC(C)n1cc(COc2cc(Br)ccc2[N+](=O)[O-])nn1 ZINC001329570608 1389160125 /nfs/dbraw/zinc/16/01/25/1389160125.db2.gz PJGYFNMNOPIDKD-UHFFFAOYSA-N 0 0 341.165 3.109 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC001339585807 1390077448 /nfs/dbraw/zinc/07/74/48/1390077448.db2.gz HBNGMNWIFCOYJQ-GZMMTYOYSA-N 0 0 331.294 3.049 10 5 EGBERN CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001339843288 1390169158 /nfs/dbraw/zinc/16/91/58/1390169158.db2.gz UOEUMVUTXCTDTA-UHFFFAOYSA-N 0 0 335.360 3.464 10 5 EGBERN O=C(NCC[C@@H]1CCC2(CCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340163262 1390239677 /nfs/dbraw/zinc/23/96/77/1390239677.db2.gz NXJZVHLFBHEVLI-INIZCTEOSA-N 0 0 345.399 3.112 10 5 EGBERN CC(C)Oc1cc(C(=O)NC2CC3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC001334537154 1390554347 /nfs/dbraw/zinc/55/43/47/1390554347.db2.gz QUWPMBLTKHESAU-UHFFFAOYSA-N 0 0 340.326 3.300 10 5 EGBERN O=C(NCC[C@@H]1CC1(Cl)Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001334647580 1390564032 /nfs/dbraw/zinc/56/40/32/1390564032.db2.gz TWQHARYAPCIJQZ-LLVKDONJSA-N 0 0 344.198 3.204 10 5 EGBERN C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001344355868 1390786375 /nfs/dbraw/zinc/78/63/75/1390786375.db2.gz GEQYYWGWGFECNF-OAUYIBNBSA-N 0 0 333.384 3.304 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001344510887 1390796268 /nfs/dbraw/zinc/79/62/68/1390796268.db2.gz BESMSJGSXOORSJ-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001344620324 1390803999 /nfs/dbraw/zinc/80/39/99/1390803999.db2.gz JZBFHWUIAURPPU-GWCFXTLKSA-N 0 0 339.779 3.281 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001344735440 1390812346 /nfs/dbraw/zinc/81/23/46/1390812346.db2.gz NMQJNXSFXLLAFA-GXTWGEPZSA-N 0 0 349.387 3.026 10 5 EGBERN C[C@@]12COC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c3ccccc13)C2 ZINC001344854373 1390819540 /nfs/dbraw/zinc/81/95/40/1390819540.db2.gz NQOPHWPTUVRNBK-KZULUSFZSA-N 0 0 341.367 3.248 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])OC[C@@H]1CCOC2(CCC2)C1 ZINC001344970632 1390828202 /nfs/dbraw/zinc/82/82/02/1390828202.db2.gz COVBOQDCTNXURD-CQSZACIVSA-N 0 0 348.399 3.289 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[C@@]12CCOC2 ZINC001345163842 1390842729 /nfs/dbraw/zinc/84/27/29/1390842729.db2.gz XGNLQDNGFJVZQE-BDJLRTHQSA-N 0 0 337.397 3.290 10 5 EGBERN O=C(OCCCc1cncs1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345220815 1390849715 /nfs/dbraw/zinc/84/97/15/1390849715.db2.gz TZKAZJCANLQQBL-CABCVRRESA-N 0 0 332.381 3.331 10 5 EGBERN CCCCS[C@@H](C)C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001345546298 1390865023 /nfs/dbraw/zinc/86/50/23/1390865023.db2.gz CYZYRFQTBWONFE-JTQLQIEISA-N 0 0 341.385 3.193 10 5 EGBERN CCCCS[C@H](C)C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001345546299 1390865106 /nfs/dbraw/zinc/86/51/06/1390865106.db2.gz CYZYRFQTBWONFE-SNVBAGLBSA-N 0 0 341.385 3.193 10 5 EGBERN CC(C)(C)c1ccc(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC001345628836 1390870064 /nfs/dbraw/zinc/87/00/64/1390870064.db2.gz RWXQLEWALZDLCU-UHFFFAOYSA-N 0 0 341.371 3.382 10 5 EGBERN Cc1cc(NC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC001345954234 1390897160 /nfs/dbraw/zinc/89/71/60/1390897160.db2.gz ROMPURXUORZWCA-BONVTDFDSA-N 0 0 343.330 3.180 10 5 EGBERN CO[C@]12CCC[C@@]1(COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC001346060484 1390904349 /nfs/dbraw/zinc/90/43/49/1390904349.db2.gz PPKFDPAHFSQOCI-BVGQSLNGSA-N 0 0 349.383 3.175 10 5 EGBERN Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001346065494 1390904632 /nfs/dbraw/zinc/90/46/32/1390904632.db2.gz MGFYLNSMQPJVPH-NVXWUHKLSA-N 0 0 347.415 3.146 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001346191458 1390914497 /nfs/dbraw/zinc/91/44/97/1390914497.db2.gz UDAXYJBFPQQOCH-XYPHTWIQSA-N 0 0 347.415 3.399 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001346500793 1390947092 /nfs/dbraw/zinc/94/70/92/1390947092.db2.gz NVLPONPCDXZWDM-HIFRSBDPSA-N 0 0 337.351 3.299 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001346657832 1390967044 /nfs/dbraw/zinc/96/70/44/1390967044.db2.gz QSZVRIVJQUYUQN-LBPRGKRZSA-N 0 0 347.293 3.088 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001346817679 1390980317 /nfs/dbraw/zinc/98/03/17/1390980317.db2.gz CMOUGBJHEGGMOZ-SKDRFNHKSA-N 0 0 347.289 3.472 10 5 EGBERN Cn1ccnc1[C@H](NC1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001346868999 1390983400 /nfs/dbraw/zinc/98/34/00/1390983400.db2.gz PQMQLJWISJTGTE-CXOJTPOUSA-N 0 0 348.353 3.195 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1OCc2ccccc21 ZINC001347545572 1391090952 /nfs/dbraw/zinc/09/09/52/1391090952.db2.gz KPONUQBZZBQHOX-INIZCTEOSA-N 0 0 326.352 3.213 10 5 EGBERN CSc1ccc(C(=O)OCC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001347603965 1391098669 /nfs/dbraw/zinc/09/86/69/1391098669.db2.gz UNDIIGAPRADFSP-UHFFFAOYSA-N 0 0 325.386 3.025 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCCC12CCCCCC2 ZINC001348032611 1391162843 /nfs/dbraw/zinc/16/28/43/1391162843.db2.gz PVZVTYCCUANYOJ-UHFFFAOYSA-N 0 0 333.388 3.415 10 5 EGBERN COCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC001348064464 1391167928 /nfs/dbraw/zinc/16/79/28/1391167928.db2.gz GXONEQUSSQNQMY-CYBMUJFWSA-N 0 0 349.774 3.151 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001348254010 1391192805 /nfs/dbraw/zinc/19/28/05/1391192805.db2.gz ITFIUFWSJXFITO-HOCLYGCPSA-N 0 0 343.383 3.250 10 5 EGBERN C[C@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001348281300 1391198793 /nfs/dbraw/zinc/19/87/93/1391198793.db2.gz HVVNVTGOIZNSTI-KSSFIOAISA-N 0 0 342.395 3.328 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ncc2c(F)cccn21 ZINC001348438478 1391219264 /nfs/dbraw/zinc/21/92/64/1391219264.db2.gz LVHNVBAATWFKSV-UHFFFAOYSA-N 0 0 334.694 3.287 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H]1OCc2ccccc21 ZINC001348476616 1391226076 /nfs/dbraw/zinc/22/60/76/1391226076.db2.gz KZYNYFYODCNFNZ-OAHLLOKOSA-N 0 0 329.308 3.170 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1ccsc1[N+](=O)[O-])CC2 ZINC001348535780 1391234042 /nfs/dbraw/zinc/23/40/42/1391234042.db2.gz DBJPOLVPJCAKRX-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(Cl)s2)n1 ZINC001348579621 1391240766 /nfs/dbraw/zinc/24/07/66/1391240766.db2.gz RMDMGUXINIPRSU-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN O=C(NCCc1ccco1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001349122282 1391304198 /nfs/dbraw/zinc/30/41/98/1391304198.db2.gz RMYPADWYFHMRAO-UHFFFAOYSA-N 0 0 328.246 3.179 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)n(-c2ccccc2)n1 ZINC001349384306 1391325520 /nfs/dbraw/zinc/32/55/20/1391325520.db2.gz MOFMKPNUHKDBMM-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CON(C[C@H]1CCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001349415702 1391328709 /nfs/dbraw/zinc/32/87/09/1391328709.db2.gz QNMHRAMHWWHQIK-CQSZACIVSA-N 0 0 341.367 3.114 10 5 EGBERN C[C@@H](Cc1cnccn1)OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001349596614 1391344017 /nfs/dbraw/zinc/34/40/17/1391344017.db2.gz OWIXJXXBMXJITN-NSHDSACASA-N 0 0 349.774 3.145 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001349909906 1391384115 /nfs/dbraw/zinc/38/41/15/1391384115.db2.gz YNHXZTWYHRYIJR-KLPPZKSPSA-N 0 0 337.376 3.071 10 5 EGBERN COc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001350397787 1391458519 /nfs/dbraw/zinc/45/85/19/1391458519.db2.gz WYQQQKUZUXKZEG-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN COc1ccc(NC(=O)[C@H](OC)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001350451276 1391466528 /nfs/dbraw/zinc/46/65/28/1391466528.db2.gz SGQAZKOUWZXKLM-OAHLLOKOSA-N 0 0 334.303 3.069 10 5 EGBERN COc1ccccc1CN(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001350901077 1391553972 /nfs/dbraw/zinc/55/39/72/1391553972.db2.gz MWZPVIROJXWLRJ-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001350917926 1391558264 /nfs/dbraw/zinc/55/82/64/1391558264.db2.gz STUYQGQTZBWFKL-INIZCTEOSA-N 0 0 334.416 3.489 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC001351053859 1391588542 /nfs/dbraw/zinc/58/85/42/1391588542.db2.gz OHABCLMOGLWAAG-WZRBSPASSA-N 0 0 338.354 3.422 10 5 EGBERN O=C(NC1CC2(CC2(F)F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001351074987 1391592427 /nfs/dbraw/zinc/59/24/27/1391592427.db2.gz KCFJBWAOAIZZTQ-UHFFFAOYSA-N 0 0 348.252 3.114 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccnc(-c2ccco2)c1 ZINC001351284366 1391620809 /nfs/dbraw/zinc/62/08/09/1391620809.db2.gz ZFPIZPGWCNYYAI-UHFFFAOYSA-N 0 0 337.335 3.222 10 5 EGBERN O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001351317466 1391625769 /nfs/dbraw/zinc/62/57/69/1391625769.db2.gz IHEWJISBZISNMM-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1N1CCCC1 ZINC001351327865 1391627452 /nfs/dbraw/zinc/62/74/52/1391627452.db2.gz MJKUJLKHOGSBPH-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN Cc1ccc(NC(=O)c2sc(N(C)C)nc2Cl)cc1[N+](=O)[O-] ZINC001351379266 1391634052 /nfs/dbraw/zinc/63/40/52/1391634052.db2.gz GITJGESSYIUVOL-UHFFFAOYSA-N 0 0 340.792 3.331 10 5 EGBERN COc1cc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(F)c1 ZINC001351886956 1391710935 /nfs/dbraw/zinc/71/09/35/1391710935.db2.gz CIJZYZZPKCSIJJ-UHFFFAOYSA-N 0 0 344.220 3.412 10 5 EGBERN CN(C(=O)c1ccc(OCC(F)(F)F)o1)c1ccc([N+](=O)[O-])cc1 ZINC001352625954 1391825280 /nfs/dbraw/zinc/82/52/80/1391825280.db2.gz DVHTWTZLINUDFN-UHFFFAOYSA-N 0 0 344.245 3.406 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@]1(c2ccccc2)CCCO1 ZINC001352634067 1391826833 /nfs/dbraw/zinc/82/68/33/1391826833.db2.gz BBMVXGIOGIZPAH-QGZVFWFLSA-N 0 0 330.315 3.378 10 5 EGBERN Cc1ccc(NC(=O)c2c(C(F)F)nc3cnccn32)cc1[N+](=O)[O-] ZINC001352705092 1391835100 /nfs/dbraw/zinc/83/51/00/1391835100.db2.gz XHUQIRXBYXKFOH-UHFFFAOYSA-N 0 0 347.281 3.136 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCOc2ccccc21 ZINC001353166138 1391948324 /nfs/dbraw/zinc/94/83/24/1391948324.db2.gz FZHMJSHNWHYTBC-UHFFFAOYSA-N 0 0 330.315 3.092 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001353922813 1392108578 /nfs/dbraw/zinc/10/85/78/1392108578.db2.gz XNHCVISLEZCBRO-UHFFFAOYSA-N 0 0 348.742 3.215 10 5 EGBERN C[C@@H]1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC001354000884 1392113603 /nfs/dbraw/zinc/11/36/03/1392113603.db2.gz AVRUXNUJJSDKRQ-JTNHKYCSSA-N 0 0 335.356 3.348 10 5 EGBERN CC[C@@H](CC(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001354169671 1392124299 /nfs/dbraw/zinc/12/42/99/1392124299.db2.gz MHRCMEXIFLGMKG-HNNXBMFYSA-N 0 0 333.432 3.316 10 5 EGBERN Nc1c(C(=O)NCCc2ccccc2)cc2ccccc2c1[N+](=O)[O-] ZINC001354361166 1392140146 /nfs/dbraw/zinc/14/01/46/1392140146.db2.gz CEDWMWAVPKEJBO-UHFFFAOYSA-N 0 0 335.363 3.303 10 5 EGBERN C[C@@H](OC(=O)c1ncc2c(F)cccn21)c1cccc([N+](=O)[O-])c1 ZINC001354617252 1392156498 /nfs/dbraw/zinc/15/64/98/1392156498.db2.gz ZFNISXHKOAXVDM-SNVBAGLBSA-N 0 0 329.287 3.300 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])ccc1F ZINC001354732743 1392165126 /nfs/dbraw/zinc/16/51/26/1392165126.db2.gz KFHMIGGNCFUQBH-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN CCN(CCNC(=O)C(C)(C)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001492994774 1396331083 /nfs/dbraw/zinc/33/10/83/1396331083.db2.gz AODQLGKEXQBXAU-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001497761114 1396830685 /nfs/dbraw/zinc/83/06/85/1396830685.db2.gz FYYGTFKZVPPKMZ-AATRIKPKSA-N 0 0 349.456 3.165 10 5 EGBERN CN(CCNC(=O)C(C)(C)C1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690947229 1404855373 /nfs/dbraw/zinc/85/53/73/1404855373.db2.gz GZIWPSFDCIIVAI-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC001691808780 1405521423 /nfs/dbraw/zinc/52/14/23/1405521423.db2.gz IAKHWQIGQWKFIJ-COGRFCOTSA-N 0 0 349.456 3.188 10 5 EGBERN CCN(CCNC(=O)C(C)=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731802270 1427967449 /nfs/dbraw/zinc/96/74/49/1427967449.db2.gz YZDPUIJWVYJYRF-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCC(C)C ZINC001693462725 1406017127 /nfs/dbraw/zinc/01/71/27/1406017127.db2.gz NKXCLAOCXQEPQI-UHFFFAOYSA-N 0 0 331.420 3.220 10 5 EGBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001693607567 1406028709 /nfs/dbraw/zinc/02/87/09/1406028709.db2.gz ZPSAEIUULWWVEC-IAQYHMDHSA-N 0 0 327.388 3.280 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1C[C@H]1C ZINC001709038773 1417415822 /nfs/dbraw/zinc/41/58/22/1417415822.db2.gz VERZZMXTOJNFOV-TZMCWYRMSA-N 0 0 329.404 3.041 10 5 EGBERN CCOCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC ZINC001710793854 1417473221 /nfs/dbraw/zinc/47/32/21/1417473221.db2.gz WHDNXBLQHLSPGC-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CN(CCN(C)C(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001715516788 1420202859 /nfs/dbraw/zinc/20/28/59/1420202859.db2.gz XTQWVDIOKMRMTR-ZHACJKMWSA-N 0 0 333.432 3.087 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@H]1C ZINC001728386317 1427147705 /nfs/dbraw/zinc/14/77/05/1427147705.db2.gz MIRQHYAZBOOTCL-TZMCWYRMSA-N 0 0 329.404 3.356 10 5 EGBERN CCC(=O)NCc1ccc2c(c1)CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001733833384 1430104556 /nfs/dbraw/zinc/10/45/56/1430104556.db2.gz JMUDKXXLMLZTCR-UHFFFAOYSA-N 0 0 339.395 3.137 10 5 EGBERN CC/C(C)=C/C(=O)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624483 1438190274 /nfs/dbraw/zinc/19/02/74/1438190274.db2.gz WRRJRKVAGVNHCY-MDWZMJQESA-N 0 0 349.456 3.261 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001766620909 1441402928 /nfs/dbraw/zinc/40/29/28/1441402928.db2.gz XYQQVQHPRZFGDI-GXTWGEPZSA-N 0 0 333.367 3.230 10 5 EGBERN CN(CCC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC001768862751 1441408818 /nfs/dbraw/zinc/40/88/18/1441408818.db2.gz STOXGHSXLZUHJQ-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN Cc1cccc(C)c1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000904072041 1126133260 /nfs/dbraw/zinc/13/32/60/1126133260.db2.gz RARBVMWJADWYRR-KRWDZBQOSA-N 0 0 342.395 3.306 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(C)C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000177793255 529557877 /nfs/dbraw/zinc/55/78/77/529557877.db2.gz JNRLIQWPXPQNDS-AWEZNQCLSA-N 0 0 330.388 3.333 10 5 EGBERN CN(Cc1cn(C(C)(C)C)nn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191196636 530013815 /nfs/dbraw/zinc/01/38/15/530013815.db2.gz HCCLUKZCJPTYQL-UHFFFAOYSA-N 0 0 337.811 3.227 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000103326487 219291835 /nfs/dbraw/zinc/29/18/35/219291835.db2.gz SNGDOBDBSGSZQL-GJZGRUSLSA-N 0 0 347.415 3.173 10 5 EGBERN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000025060357 202125891 /nfs/dbraw/zinc/12/58/91/202125891.db2.gz WROTYOHERVUSOZ-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN CC(C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000025745203 202135979 /nfs/dbraw/zinc/13/59/79/202135979.db2.gz OZOGQEGOTFTKEH-UHFFFAOYSA-N 0 0 341.367 3.119 10 5 EGBERN Cc1sc(C(=O)N(C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000186928419 236067209 /nfs/dbraw/zinc/06/72/09/236067209.db2.gz IBHZAAMXRNAZHA-UHFFFAOYSA-N 0 0 326.418 3.122 10 5 EGBERN CCOCc1ccccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054450792 202670884 /nfs/dbraw/zinc/67/08/84/202670884.db2.gz HBGSCZSMYYLCGO-UHFFFAOYSA-N 0 0 343.383 3.496 10 5 EGBERN CCc1cnc(CCNc2ncnc3sc([N+](=O)[O-])cc32)s1 ZINC000342261967 241672861 /nfs/dbraw/zinc/67/28/61/241672861.db2.gz BTKSRPABYBSVIQ-UHFFFAOYSA-N 0 0 335.414 3.273 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000225815783 242049662 /nfs/dbraw/zinc/04/96/62/242049662.db2.gz OTOHHGQRKKLACV-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN CCc1cccc2c(C(=O)COC(=O)c3ccc([N+](=O)[O-])o3)c[nH]c21 ZINC000003347939 201567920 /nfs/dbraw/zinc/56/79/20/201567920.db2.gz YPVCBGKZKGMGKJ-UHFFFAOYSA-N 0 0 342.307 3.271 10 5 EGBERN O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000344595895 284047551 /nfs/dbraw/zinc/04/75/51/284047551.db2.gz CVIAQNFRHBUWCW-SECBINFHSA-N 0 0 325.777 3.445 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cccc2F)s1 ZINC000065005066 202823119 /nfs/dbraw/zinc/82/31/19/202823119.db2.gz VAUNVIRWWZFYGR-UHFFFAOYSA-N 0 0 347.327 3.361 10 5 EGBERN COc1ccccc1OCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000069439366 203000049 /nfs/dbraw/zinc/00/00/49/203000049.db2.gz BISXCUASTPRDFT-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc2ncccn2n1 ZINC000069538996 203017439 /nfs/dbraw/zinc/01/74/39/203017439.db2.gz FQENLTCWYFBNHT-UHFFFAOYSA-N 0 0 345.384 3.112 10 5 EGBERN O=C(Nc1cnccc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069813854 203052688 /nfs/dbraw/zinc/05/26/88/203052688.db2.gz MVSDKZSTUOWMBJ-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000072545418 203235351 /nfs/dbraw/zinc/23/53/51/203235351.db2.gz RBBQBFZRXRHRRT-UWVGGRQHSA-N 0 0 335.360 3.380 10 5 EGBERN CC(=O)c1ccc(Cl)c(Cl)c1OCCn1cc([N+](=O)[O-])cn1 ZINC000089292180 203572508 /nfs/dbraw/zinc/57/25/08/203572508.db2.gz VRMMAUKMDNVHJK-UHFFFAOYSA-N 0 0 344.154 3.380 10 5 EGBERN Cc1nscc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000097370812 203941860 /nfs/dbraw/zinc/94/18/60/203941860.db2.gz XOFBWNDEFMMJBP-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC000127112415 205086255 /nfs/dbraw/zinc/08/62/55/205086255.db2.gz HDUCKHASRJUTJX-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129933273 205217222 /nfs/dbraw/zinc/21/72/22/205217222.db2.gz WBVDLIGBUHFDKD-DZGCQCFKSA-N 0 0 337.420 3.142 10 5 EGBERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132039818 205311083 /nfs/dbraw/zinc/31/10/83/205311083.db2.gz DSEJAICBHXPORU-XRGYYRRGSA-N 0 0 333.569 3.149 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000132905803 205346678 /nfs/dbraw/zinc/34/66/78/205346678.db2.gz DZKUODSDLLYKBR-GZMMTYOYSA-N 0 0 340.426 3.268 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCc2cc(F)ccc21 ZINC000183637839 284384190 /nfs/dbraw/zinc/38/41/90/284384190.db2.gz ZQQFBIHSQAJIQP-CYBMUJFWSA-N 0 0 330.319 3.328 10 5 EGBERN CC(C)COC1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000157909381 206162018 /nfs/dbraw/zinc/16/20/18/206162018.db2.gz FYLBUGCUMMUSGY-UHFFFAOYSA-N 0 0 342.342 3.150 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000160326916 206291763 /nfs/dbraw/zinc/29/17/63/206291763.db2.gz WEUDEIOBRDTFQN-VRLUZNEVSA-N 0 0 346.383 3.151 10 5 EGBERN CCCC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161179312 206333190 /nfs/dbraw/zinc/33/31/90/206333190.db2.gz FXGAYFNNMGIPPP-ZDUSSCGKSA-N 0 0 336.388 3.225 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000161882395 206373977 /nfs/dbraw/zinc/37/39/77/206373977.db2.gz BKVQUGBTPBSLAE-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN CCCCc1noc([C@H](C)SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000162316931 206397315 /nfs/dbraw/zinc/39/73/15/206397315.db2.gz LNKOZDBIAGVINM-JTQLQIEISA-N 0 0 325.394 3.011 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000408199104 169164763 /nfs/dbraw/zinc/16/47/63/169164763.db2.gz PVAQZCLMFLKFLZ-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCOc4ccccc43)cc2N1 ZINC000193665400 284817705 /nfs/dbraw/zinc/81/77/05/284817705.db2.gz NQBHXKDURJMHCH-CYBMUJFWSA-N 0 0 339.351 3.415 10 5 EGBERN C[C@H](CCc1cccn1C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174438428 207019190 /nfs/dbraw/zinc/01/91/90/207019190.db2.gz BJDOFQXREBASLO-GFCCVEGCSA-N 0 0 340.383 3.166 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000176702098 207251469 /nfs/dbraw/zinc/25/14/69/207251469.db2.gz FTTOUKHHPBNXMD-MRXNPFEDSA-N 0 0 343.383 3.293 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000176954087 207278236 /nfs/dbraw/zinc/27/82/36/207278236.db2.gz VXRIKIHMLKQIRR-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN CC[C@@H](NC(=O)CSCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000177782991 207397485 /nfs/dbraw/zinc/39/74/85/207397485.db2.gz LRTPGKPVZZRGAY-MRXNPFEDSA-N 0 0 345.424 3.491 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178245424 207460441 /nfs/dbraw/zinc/46/04/41/207460441.db2.gz QZEJLBBYIVQSER-VXGBXAGGSA-N 0 0 331.338 3.224 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@]2(C1)CCCOC2 ZINC000376476923 285083265 /nfs/dbraw/zinc/08/32/65/285083265.db2.gz AZSVERLTEHYISX-AWEZNQCLSA-N 0 0 341.205 3.364 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nc(-c2ncc[nH]2)no1 ZINC000351027441 285085360 /nfs/dbraw/zinc/08/53/60/285085360.db2.gz LYGPPKSYIWIWCO-UHFFFAOYSA-N 0 0 325.206 3.054 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(C2)CCCOC3)nc1-c1ccccc1 ZINC000340983637 285120166 /nfs/dbraw/zinc/12/01/66/285120166.db2.gz QYGAPVMZGVJNOK-UHFFFAOYSA-N 0 0 325.368 3.274 10 5 EGBERN COc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1O ZINC000129518230 533396352 /nfs/dbraw/zinc/39/63/52/533396352.db2.gz HWVJJSWGEOWPLY-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](C)C2 ZINC000182203914 140981337 /nfs/dbraw/zinc/98/13/37/140981337.db2.gz WRZBRAWIRPVBKP-DIFFPNOSSA-N 0 0 325.368 3.270 10 5 EGBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000246762635 141032684 /nfs/dbraw/zinc/03/26/84/141032684.db2.gz QUVVFLXHDCQTIK-SUMWQHHRSA-N 0 0 346.408 3.118 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000338082505 141089511 /nfs/dbraw/zinc/08/95/11/141089511.db2.gz VCIZBMFFABZMFB-MRXNPFEDSA-N 0 0 344.342 3.468 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000338082503 141089661 /nfs/dbraw/zinc/08/96/61/141089661.db2.gz VCIZBMFFABZMFB-INIZCTEOSA-N 0 0 344.342 3.468 10 5 EGBERN CC[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000338146401 141102907 /nfs/dbraw/zinc/10/29/07/141102907.db2.gz OEUYGQLIHQWTMS-INIZCTEOSA-N 0 0 345.399 3.394 10 5 EGBERN Cc1c2ccccc2oc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354613535 141314837 /nfs/dbraw/zinc/31/48/37/141314837.db2.gz JWUJKQBIHVXQSI-UHFFFAOYSA-N 0 0 346.364 3.128 10 5 EGBERN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000171920499 144013019 /nfs/dbraw/zinc/01/30/19/144013019.db2.gz PRCCSTNWJYYHFD-HNNXBMFYSA-N 0 0 348.424 3.263 10 5 EGBERN CSc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000173792663 144048867 /nfs/dbraw/zinc/04/88/67/144048867.db2.gz MNIDMMQTOVVFRN-UHFFFAOYSA-N 0 0 345.424 3.069 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2c1 ZINC000174901905 144054326 /nfs/dbraw/zinc/05/43/26/144054326.db2.gz HALGVUZSFVIREG-UHFFFAOYSA-N 0 0 349.350 3.191 10 5 EGBERN Nc1c(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cccc1[N+](=O)[O-] ZINC000178191690 144066500 /nfs/dbraw/zinc/06/65/00/144066500.db2.gz PVEOKANNSPUHHU-SFHVURJKSA-N 0 0 348.362 3.091 10 5 EGBERN COc1cc(COc2nc(C(C)(C)C)no2)c([N+](=O)[O-])cc1F ZINC000183856589 144080910 /nfs/dbraw/zinc/08/09/10/144080910.db2.gz KXOUQMFMBQSAKV-UHFFFAOYSA-N 0 0 325.296 3.002 10 5 EGBERN Cn1cc(-c2cc(CSCc3ccc([N+](=O)[O-])cc3)on2)cn1 ZINC000184028326 144084730 /nfs/dbraw/zinc/08/47/30/144084730.db2.gz NMWUNUOUIVBEPM-UHFFFAOYSA-N 0 0 330.369 3.417 10 5 EGBERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186885517 144146186 /nfs/dbraw/zinc/14/61/86/144146186.db2.gz GXFBOKLRSTVSLT-VIFPVBQESA-N 0 0 335.747 3.182 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000187529741 144160538 /nfs/dbraw/zinc/16/05/38/144160538.db2.gz YPEDVAXGDMOMGJ-UHFFFAOYSA-N 0 0 343.358 3.333 10 5 EGBERN COC(=O)c1ncc(NCc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000351567560 144281071 /nfs/dbraw/zinc/28/10/71/144281071.db2.gz KKIHYWORBODPBY-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN COC1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351626200 144289832 /nfs/dbraw/zinc/28/98/32/144289832.db2.gz BHHIIFVYDXNLES-UHFFFAOYSA-N 0 0 325.340 3.061 10 5 EGBERN Cc1ccc(N2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1 ZINC000376103977 292130197 /nfs/dbraw/zinc/13/01/97/292130197.db2.gz PHWIOZHZGVAVFY-UHFFFAOYSA-N 0 0 326.400 3.202 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000173565684 292226214 /nfs/dbraw/zinc/22/62/14/292226214.db2.gz QVJDLCALXFQYAL-GWCFXTLKSA-N 0 0 346.387 3.152 10 5 EGBERN COc1ncc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000341407361 155274973 /nfs/dbraw/zinc/27/49/73/155274973.db2.gz PZDSAMFNAHUFBK-SNVBAGLBSA-N 0 0 349.774 3.451 10 5 EGBERN Cc1noc(COc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000115524473 152017379 /nfs/dbraw/zinc/01/73/79/152017379.db2.gz CXMRRTFPGATFKV-UHFFFAOYSA-N 0 0 341.323 3.444 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000116039337 152039787 /nfs/dbraw/zinc/03/97/87/152039787.db2.gz GARHHPRUHFSAHE-HNNXBMFYSA-N 0 0 329.356 3.354 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116292918 152055683 /nfs/dbraw/zinc/05/56/83/152055683.db2.gz POQKOKUCBHWNTQ-OAHLLOKOSA-N 0 0 329.356 3.272 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116290138 152055728 /nfs/dbraw/zinc/05/57/28/152055728.db2.gz JTLJYHWIJDJPLN-IUODEOHRSA-N 0 0 329.356 3.352 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000118262929 152133780 /nfs/dbraw/zinc/13/37/80/152133780.db2.gz ARMBRNBJCNHEOM-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CCN(CC)C(=O)C1(NCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000118847321 152156637 /nfs/dbraw/zinc/15/66/37/152156637.db2.gz UTAKBMGAKGMXSK-UHFFFAOYSA-N 0 0 339.461 3.317 10 5 EGBERN Cc1c(CC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119493408 152209482 /nfs/dbraw/zinc/20/94/82/152209482.db2.gz BYRIDOVBQGKZAF-ZDUSSCGKSA-N 0 0 342.395 3.241 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000120533290 152282181 /nfs/dbraw/zinc/28/21/81/152282181.db2.gz YRIVUOGAQDOFHY-CYBMUJFWSA-N 0 0 344.342 3.401 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000121380475 152347439 /nfs/dbraw/zinc/34/74/39/152347439.db2.gz HAYZLGCTPCRIDT-YJBOKZPZSA-N 0 0 339.395 3.439 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121905655 152378178 /nfs/dbraw/zinc/37/81/78/152378178.db2.gz HJCOIEJLZIZMNP-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174485087 152862796 /nfs/dbraw/zinc/86/27/96/152862796.db2.gz LNWGOHSRGONMCZ-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000175695470 152883428 /nfs/dbraw/zinc/88/34/28/152883428.db2.gz HZECLWXPXYKHGO-HZPDHXFCSA-N 0 0 349.431 3.354 10 5 EGBERN CC[C@@H](NCc1nccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000191061761 153172592 /nfs/dbraw/zinc/17/25/92/153172592.db2.gz HLBNVKBULCASGJ-CQSZACIVSA-N 0 0 331.372 3.248 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2[nH]c3ccccc3c2C1 ZINC000194230797 153325882 /nfs/dbraw/zinc/32/58/82/153325882.db2.gz YXQYBFUNUNWCEI-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194853933 153363227 /nfs/dbraw/zinc/36/32/27/153363227.db2.gz KYXIRNKEMVAZLC-HNNXBMFYSA-N 0 0 343.339 3.425 10 5 EGBERN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ncccc1C ZINC000341633251 155392632 /nfs/dbraw/zinc/39/26/32/155392632.db2.gz HWKBCSVLOVXSGZ-UHFFFAOYSA-N 0 0 338.367 3.306 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCC[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC000312731133 154153476 /nfs/dbraw/zinc/15/34/76/154153476.db2.gz JGOKHYDQMWRBSU-NXEZZACHSA-N 0 0 344.209 3.024 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCc2ccccc21 ZINC000337987330 154593423 /nfs/dbraw/zinc/59/34/23/154593423.db2.gz KHBISJBGKZCFIY-UHFFFAOYSA-N 0 0 339.395 3.086 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])NCC1(C(F)(F)F)CC1 ZINC000342948530 155595033 /nfs/dbraw/zinc/59/50/33/155595033.db2.gz WOQGLTFOTSODKE-UHFFFAOYSA-N 0 0 334.319 3.146 10 5 EGBERN CC(C)(C)OC1CC(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000346868325 156170588 /nfs/dbraw/zinc/17/05/88/156170588.db2.gz LEPJJCKNWLVABI-UHFFFAOYSA-N 0 0 346.387 3.100 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000347011766 156247178 /nfs/dbraw/zinc/24/71/78/156247178.db2.gz IPHCUCBSKKDJCA-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000354545555 156572755 /nfs/dbraw/zinc/57/27/55/156572755.db2.gz QDZDOGISUAOBOW-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356444558 156693740 /nfs/dbraw/zinc/69/37/40/156693740.db2.gz NXPONRMSJHKEAU-LBPRGKRZSA-N 0 0 346.364 3.174 10 5 EGBERN CC(C)n1ccc(=NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[nH]1 ZINC000362136590 157039389 /nfs/dbraw/zinc/03/93/89/157039389.db2.gz FZQYZKCFHKFSER-UHFFFAOYSA-N 0 0 342.277 3.065 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000368765287 157284393 /nfs/dbraw/zinc/28/43/93/157284393.db2.gz NKOCBRLLUAXHTA-NSHDSACASA-N 0 0 342.342 3.152 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H](C2CC2)C1 ZINC000372474340 157339034 /nfs/dbraw/zinc/33/90/34/157339034.db2.gz QGOAFJGIFOKXKO-CYBMUJFWSA-N 0 0 332.381 3.061 10 5 EGBERN CN(C(=O)c1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000061873131 161550950 /nfs/dbraw/zinc/55/09/50/161550950.db2.gz GNNHOCJWYGDJIM-UHFFFAOYSA-N 0 0 336.145 3.029 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000110154503 162120842 /nfs/dbraw/zinc/12/08/42/162120842.db2.gz VYYFYOKBAFDPAF-UHFFFAOYSA-N 0 0 345.786 3.211 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125703535 162285023 /nfs/dbraw/zinc/28/50/23/162285023.db2.gz JQUWRUYLGUWXCE-DZGCQCFKSA-N 0 0 335.404 3.303 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000129265202 162352152 /nfs/dbraw/zinc/35/21/52/162352152.db2.gz VAHXGUOGVAWLLE-MLGOLLRUSA-N 0 0 326.352 3.198 10 5 EGBERN C[C@H](c1ccccc1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129648027 162362179 /nfs/dbraw/zinc/36/21/79/162362179.db2.gz AISIYTKTGJXXHW-CYBMUJFWSA-N 0 0 334.397 3.118 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000182845138 162817959 /nfs/dbraw/zinc/81/79/59/162817959.db2.gz ZISUUGHSDKLQBD-HNNXBMFYSA-N 0 0 345.330 3.081 10 5 EGBERN C[C@H](NC(=O)NC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338583749 163283478 /nfs/dbraw/zinc/28/34/78/163283478.db2.gz RZGWGCITAUKDJV-ZDUSSCGKSA-N 0 0 335.404 3.040 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc([C@H](C)OC)c2)n1 ZINC000342092624 163784237 /nfs/dbraw/zinc/78/42/37/163784237.db2.gz LHFRCKFKIBXEFN-JTQLQIEISA-N 0 0 331.328 3.227 10 5 EGBERN C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000342109311 163787507 /nfs/dbraw/zinc/78/75/07/163787507.db2.gz RHNMPQCCAHWHJQ-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342505286 163896167 /nfs/dbraw/zinc/89/61/67/163896167.db2.gz SSDLPVHCQXPNHI-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN CCOC(=O)CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000342639940 163930443 /nfs/dbraw/zinc/93/04/43/163930443.db2.gz WVPKPYCGBIZZCQ-UHFFFAOYSA-N 0 0 326.780 3.166 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000342671404 163938552 /nfs/dbraw/zinc/93/85/52/163938552.db2.gz YTSPFADEPQFLEF-LPHOPBHVSA-N 0 0 346.427 3.193 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343817610 164042389 /nfs/dbraw/zinc/04/23/89/164042389.db2.gz ODXNXIHIIBZDGV-CYBMUJFWSA-N 0 0 327.384 3.433 10 5 EGBERN COc1cc(NCCCCNc2ccccn2)c([N+](=O)[O-])cc1F ZINC000343885016 164058031 /nfs/dbraw/zinc/05/80/31/164058031.db2.gz PUWWUAHBWINSTP-UHFFFAOYSA-N 0 0 334.351 3.442 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000344056491 164092363 /nfs/dbraw/zinc/09/23/63/164092363.db2.gz ZMSDWSHLYNIYRN-UHFFFAOYSA-N 0 0 349.416 3.306 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344244116 164136155 /nfs/dbraw/zinc/13/61/55/164136155.db2.gz QCCQWCUAIBUNLW-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC000344292227 164148130 /nfs/dbraw/zinc/14/81/30/164148130.db2.gz OUVICRZHGDAZKK-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000344427191 164176477 /nfs/dbraw/zinc/17/64/77/164176477.db2.gz ZULUSPKATSPQNP-KRWDZBQOSA-N 0 0 327.340 3.324 10 5 EGBERN CC(=O)N(Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1)C(C)C ZINC000344441063 164179228 /nfs/dbraw/zinc/17/92/28/164179228.db2.gz QEVBPBGVWKMCBW-UHFFFAOYSA-N 0 0 328.372 3.490 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CCC(F)(F)F)n1 ZINC000345327578 164204188 /nfs/dbraw/zinc/20/41/88/164204188.db2.gz IYLVWUMVDDJEMO-UHFFFAOYSA-N 0 0 342.277 3.076 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC1(C(F)(F)F)CC1 ZINC000345605816 164226060 /nfs/dbraw/zinc/22/60/60/164226060.db2.gz SACNQUISIHYXFT-UHFFFAOYSA-N 0 0 330.306 3.328 10 5 EGBERN C[C@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000346077459 164332406 /nfs/dbraw/zinc/33/24/06/164332406.db2.gz QFQGXUJQBPTHPP-CYBMUJFWSA-N 0 0 325.368 3.463 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(Cl)c1 ZINC000346417925 164383212 /nfs/dbraw/zinc/38/32/12/164383212.db2.gz DQXYJCXXWUMDLZ-OAHLLOKOSA-N 0 0 349.774 3.069 10 5 EGBERN Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)sc2nccn12 ZINC000347813202 164583798 /nfs/dbraw/zinc/58/37/98/164583798.db2.gz IWVPIVQHCZOTPT-UHFFFAOYSA-N 0 0 330.369 3.482 10 5 EGBERN COc1cc(CSCCOCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000350651124 165060836 /nfs/dbraw/zinc/06/08/36/165060836.db2.gz BPQVBMBGQNYWNO-UHFFFAOYSA-N 0 0 325.308 3.416 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC2CCC1CC2 ZINC000351688972 165134459 /nfs/dbraw/zinc/13/44/59/165134459.db2.gz YLUTUSMXLJLTIY-MQBCKMQZSA-N 0 0 331.416 3.482 10 5 EGBERN COc1cc(COc2ccc3c(c2)NC(=O)CC3)ccc1[N+](=O)[O-] ZINC000352220874 165291398 /nfs/dbraw/zinc/29/13/98/165291398.db2.gz FJBJYGQNIAJYFH-UHFFFAOYSA-N 0 0 328.324 3.067 10 5 EGBERN COCCOc1cccc(CNc2cccc(OC)c2[N+](=O)[O-])c1 ZINC000355346343 166169855 /nfs/dbraw/zinc/16/98/55/166169855.db2.gz TWXRTEDPWWRFSU-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000355931607 166351668 /nfs/dbraw/zinc/35/16/68/166351668.db2.gz BVVUVWROYZNFCH-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000356621599 166466621 /nfs/dbraw/zinc/46/66/21/166466621.db2.gz PEXFFBKFAMPZIB-BETUJISGSA-N 0 0 336.413 3.100 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000356729192 166494105 /nfs/dbraw/zinc/49/41/05/166494105.db2.gz GCXQFSFETAMIDR-UHFFFAOYSA-N 0 0 328.372 3.003 10 5 EGBERN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCC1 ZINC000357540329 166705643 /nfs/dbraw/zinc/70/56/43/166705643.db2.gz XDZXXAOOIVURKW-ZDUSSCGKSA-N 0 0 347.415 3.058 10 5 EGBERN CC(C)c1nc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2s1 ZINC000357907096 166809059 /nfs/dbraw/zinc/80/90/59/166809059.db2.gz HKSJMYHDDGVDNJ-UHFFFAOYSA-N 0 0 345.384 3.314 10 5 EGBERN COc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000358920103 167006086 /nfs/dbraw/zinc/00/60/86/167006086.db2.gz LPYPFIFGTVSRDF-UHFFFAOYSA-N 0 0 338.266 3.457 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359064353 167055223 /nfs/dbraw/zinc/05/52/23/167055223.db2.gz FXDBLFNUNSYFLI-NXEZZACHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nc3cccc(C)c3n2C)n1 ZINC000359104843 167067541 /nfs/dbraw/zinc/06/75/41/167067541.db2.gz VRURXJLTWIOHSY-UHFFFAOYSA-N 0 0 325.372 3.414 10 5 EGBERN COc1ccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000359109244 167069418 /nfs/dbraw/zinc/06/94/18/167069418.db2.gz NWJZMUFBHCKJCI-UHFFFAOYSA-N 0 0 331.372 3.278 10 5 EGBERN CC(=O)Nc1cccc(OCCNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359109602 167069448 /nfs/dbraw/zinc/06/94/48/167069448.db2.gz OPHHWQXHCDEFMB-UHFFFAOYSA-N 0 0 344.371 3.056 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000359169688 167087300 /nfs/dbraw/zinc/08/73/00/167087300.db2.gz BPVQDCDNCRCEKB-KBXCAEBGSA-N 0 0 331.416 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359191746 167092467 /nfs/dbraw/zinc/09/24/67/167092467.db2.gz FWEPONVBVMISKE-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1ncc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000359402380 167147114 /nfs/dbraw/zinc/14/71/14/167147114.db2.gz RIUFNQHJMQQCJY-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN C[C@H]1CC[C@]2(CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541413 167185492 /nfs/dbraw/zinc/18/54/92/167185492.db2.gz DITJWBLLNKDQRQ-KSSFIOAISA-N 0 0 331.416 3.070 10 5 EGBERN Cc1cccc(O)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359564116 167195551 /nfs/dbraw/zinc/19/55/51/167195551.db2.gz OSLVWXXCGWDNNF-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1C ZINC000360193741 167267545 /nfs/dbraw/zinc/26/75/45/167267545.db2.gz KQXFIMDTFDHYKC-CABCVRRESA-N 0 0 346.408 3.046 10 5 EGBERN Cc1c(CNC(=O)Cc2cnc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000360526753 167349278 /nfs/dbraw/zinc/34/92/78/167349278.db2.gz VWQWLOKMDWMZSO-UHFFFAOYSA-N 0 0 335.363 3.310 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000360642241 167376564 /nfs/dbraw/zinc/37/65/64/167376564.db2.gz NUWJWVXSHVPWAA-ZDUSSCGKSA-N 0 0 347.396 3.176 10 5 EGBERN COC[C@H](C)[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000360726573 167399017 /nfs/dbraw/zinc/39/90/17/167399017.db2.gz CRVUUYXEQKLACF-IUCAKERBSA-N 0 0 345.193 3.214 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000360881466 167437173 /nfs/dbraw/zinc/43/71/73/167437173.db2.gz BBXKBIUIJHPWSX-GWCFXTLKSA-N 0 0 346.305 3.163 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000361147604 167537713 /nfs/dbraw/zinc/53/77/13/167537713.db2.gz UHHRTGPOKZOKHS-VIFPVBQESA-N 0 0 335.310 3.406 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361221644 167560174 /nfs/dbraw/zinc/56/01/74/167560174.db2.gz SEICMRDVWBNCIH-ZDUSSCGKSA-N 0 0 335.404 3.058 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000364990394 168008919 /nfs/dbraw/zinc/00/89/19/168008919.db2.gz PDZIBKLKHZQKDW-QGZVFWFLSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000365941278 168062555 /nfs/dbraw/zinc/06/25/55/168062555.db2.gz JJMMKWQEUJRXDG-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366189186 168092368 /nfs/dbraw/zinc/09/23/68/168092368.db2.gz DHYLLNOFCDFBFV-ZIAGYGMSSA-N 0 0 325.368 3.316 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NCc1cccnc1-n1ccnc1 ZINC000366625563 168125515 /nfs/dbraw/zinc/12/55/15/168125515.db2.gz ZALOSECOIGJQKJ-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367555929 168241658 /nfs/dbraw/zinc/24/16/58/168241658.db2.gz FFWCLMTVJUPCMH-FUHWJXTLSA-N 0 0 340.379 3.411 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](Cc2ccncc2)C1 ZINC000367925776 168285119 /nfs/dbraw/zinc/28/51/19/168285119.db2.gz HWEBJASWFHTFHU-OAHLLOKOSA-N 0 0 325.368 3.261 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000088234099 264695027 /nfs/dbraw/zinc/69/50/27/264695027.db2.gz NNBHTQRUNCHWDU-NSHDSACASA-N 0 0 348.378 3.123 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000174439990 265049566 /nfs/dbraw/zinc/04/95/66/265049566.db2.gz HTULEGYJWKPJLL-UHFFFAOYSA-N 0 0 329.331 3.139 10 5 EGBERN COC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000174611320 265059150 /nfs/dbraw/zinc/05/91/50/265059150.db2.gz MQGPQSXHGVGJOV-OAHLLOKOSA-N 0 0 343.339 3.095 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000175114152 265093666 /nfs/dbraw/zinc/09/36/66/265093666.db2.gz QXNUURYVKQJHNM-MRXNPFEDSA-N 0 0 334.397 3.333 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000177805542 265278540 /nfs/dbraw/zinc/27/85/40/265278540.db2.gz WYOQKIUXXXJBRZ-AWEZNQCLSA-N 0 0 330.388 3.333 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000177862308 265281491 /nfs/dbraw/zinc/28/14/91/265281491.db2.gz GTXHZBWICDSZCF-KBPBESRZSA-N 0 0 330.388 3.155 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000178914338 265349516 /nfs/dbraw/zinc/34/95/16/265349516.db2.gz DDORMHRWKBOKKZ-UHFFFAOYSA-N 0 0 325.415 3.206 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000195150721 266162700 /nfs/dbraw/zinc/16/27/00/266162700.db2.gz AYABONMWOILMKF-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000195145538 266163336 /nfs/dbraw/zinc/16/33/36/266163336.db2.gz UDAZQHAKQAHMGO-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN CCCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195525368 266186699 /nfs/dbraw/zinc/18/66/99/266186699.db2.gz JYOCJHHPBYSDAL-UHFFFAOYSA-N 0 0 339.355 3.310 10 5 EGBERN Cc1cc([C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C2CC2)ccc1F ZINC000270202846 266436283 /nfs/dbraw/zinc/43/62/83/266436283.db2.gz CMJWEQBTYWOIRE-HNNXBMFYSA-N 0 0 344.346 3.099 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000271437469 266662164 /nfs/dbraw/zinc/66/21/64/266662164.db2.gz SPYZTCYMVYNCNC-OAHLLOKOSA-N 0 0 346.362 3.129 10 5 EGBERN COCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C)o1 ZINC000272251647 266801559 /nfs/dbraw/zinc/80/15/59/266801559.db2.gz IBTUIHMCSSEXFS-NSHDSACASA-N 0 0 338.385 3.374 10 5 EGBERN Cc1sc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000273547315 267057241 /nfs/dbraw/zinc/05/72/41/267057241.db2.gz LZEQRFKDPZMCGE-UHFFFAOYSA-N 0 0 345.424 3.236 10 5 EGBERN COC1(c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)CCCC1 ZINC000273892203 267135618 /nfs/dbraw/zinc/13/56/18/267135618.db2.gz CTLAAJVBDPYPGF-UHFFFAOYSA-N 0 0 337.307 3.112 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000274324725 267218468 /nfs/dbraw/zinc/21/84/68/267218468.db2.gz ZPZQSXZFPKPQSB-CZUORRHYSA-N 0 0 349.431 3.472 10 5 EGBERN COc1cc(NCc2ccc([C@@H](C)O)c(C)n2)c([N+](=O)[O-])cc1F ZINC000275434528 267361575 /nfs/dbraw/zinc/36/15/75/267361575.db2.gz JGKHHYSNFQHEBB-SNVBAGLBSA-N 0 0 335.335 3.111 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000275504419 267371496 /nfs/dbraw/zinc/37/14/96/267371496.db2.gz FJWOMTDWYXNYDE-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN CCN(C[C@H]1CCCO1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275803988 267429080 /nfs/dbraw/zinc/42/90/80/267429080.db2.gz MZKLSHMZDIYYBX-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN COC[C@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000278338288 267990890 /nfs/dbraw/zinc/99/08/90/267990890.db2.gz CHRRKSSZJDNDDB-MARXPDLDSA-N 0 0 348.380 3.386 10 5 EGBERN COc1cc(CN2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000278372033 267998220 /nfs/dbraw/zinc/99/82/20/267998220.db2.gz KRCDKYKSZDKSAI-JTQLQIEISA-N 0 0 348.321 3.386 10 5 EGBERN CCOCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009824949 275118971 /nfs/dbraw/zinc/11/89/71/275118971.db2.gz NNZMBLQNTUPKBM-UHFFFAOYSA-N 0 0 330.340 3.262 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000042805620 275127150 /nfs/dbraw/zinc/12/71/50/275127150.db2.gz MKPKOOSWTZHNKU-CQSZACIVSA-N 0 0 343.383 3.196 10 5 EGBERN O=C(NCCc1ccsc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000046243101 275136427 /nfs/dbraw/zinc/13/64/27/275136427.db2.gz AVGKAQZWSRWOGK-UHFFFAOYSA-N 0 0 331.397 3.203 10 5 EGBERN O=C1[C@@H](N2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297768 275189416 /nfs/dbraw/zinc/18/94/16/275189416.db2.gz DVQCGHQEHKHDLJ-CVEARBPZSA-N 0 0 341.367 3.130 10 5 EGBERN CC(C)(C)CCNC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184978993 275214220 /nfs/dbraw/zinc/21/42/20/275214220.db2.gz YPUCNWSLBNTLNH-UHFFFAOYSA-N 0 0 331.372 3.074 10 5 EGBERN COC(=O)c1ccc(COc2ccc([N+](=O)[O-])c3ncccc23)o1 ZINC000184981483 275214398 /nfs/dbraw/zinc/21/43/98/275214398.db2.gz CXQIRXDYRSPABF-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000280387580 275445004 /nfs/dbraw/zinc/44/50/04/275445004.db2.gz ZKLWMVKBSWAEPO-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN Cc1c(NC(=O)NOCC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280833391 275499542 /nfs/dbraw/zinc/49/95/42/275499542.db2.gz VIOOEXNRDFOJPT-UHFFFAOYSA-N 0 0 346.181 3.375 10 5 EGBERN COc1ncc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000284104205 275774564 /nfs/dbraw/zinc/77/45/64/275774564.db2.gz WKLIJRLEINNZBN-UHFFFAOYSA-N 0 0 347.758 3.245 10 5 EGBERN COCCc1ccnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000286476941 276005305 /nfs/dbraw/zinc/00/53/05/276005305.db2.gz YQYJPARKFFBPEV-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000287712826 276149968 /nfs/dbraw/zinc/14/99/68/276149968.db2.gz DYPZWWRVIYJKLQ-SJCJKPOMSA-N 0 0 328.372 3.081 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000288290627 276197920 /nfs/dbraw/zinc/19/79/20/276197920.db2.gz HFWFSYDNUPICIE-WBMJQRKESA-N 0 0 343.387 3.316 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(C1)Oc1ccccc1O2 ZINC000288782287 276252443 /nfs/dbraw/zinc/25/24/43/276252443.db2.gz DQDGPEYPZAUUSQ-UHFFFAOYSA-N 0 0 333.731 3.021 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292169874 276744420 /nfs/dbraw/zinc/74/44/20/276744420.db2.gz FWYMXCAMPQPQEJ-RDDDGLTNSA-N 0 0 333.171 3.056 10 5 EGBERN Cc1cc(Oc2ncnc3c2ncn3C2CC2)c(F)cc1[N+](=O)[O-] ZINC000292702335 276858075 /nfs/dbraw/zinc/85/80/75/276858075.db2.gz KCIBBPBZJXJTAX-UHFFFAOYSA-N 0 0 329.291 3.309 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000342414558 277151083 /nfs/dbraw/zinc/15/10/83/277151083.db2.gz LZCLHGSHXOFSNZ-LBPRGKRZSA-N 0 0 345.380 3.344 10 5 EGBERN COc1cc(N2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268161536 277381350 /nfs/dbraw/zinc/38/13/50/277381350.db2.gz NORIUOSQESJVBL-UHFFFAOYSA-N 0 0 326.368 3.384 10 5 EGBERN CC(C)C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000126093663 277494548 /nfs/dbraw/zinc/49/45/48/277494548.db2.gz QLQUVLRCTCQJCV-CYBMUJFWSA-N 0 0 340.445 3.403 10 5 EGBERN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000374929053 278022341 /nfs/dbraw/zinc/02/23/41/278022341.db2.gz OYESCPCWEGWDJP-YVEFUNNKSA-N 0 0 341.367 3.222 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000376002673 278803939 /nfs/dbraw/zinc/80/39/39/278803939.db2.gz DSOQRDBMYBEHIC-HSMVNMDESA-N 0 0 340.807 3.411 10 5 EGBERN CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000115658361 279002786 /nfs/dbraw/zinc/00/27/86/279002786.db2.gz COEJLFWPFUHJIR-CYBMUJFWSA-N 0 0 328.372 3.283 10 5 EGBERN CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000115658358 279002875 /nfs/dbraw/zinc/00/28/75/279002875.db2.gz COEJLFWPFUHJIR-ZDUSSCGKSA-N 0 0 328.372 3.283 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000343158458 281011250 /nfs/dbraw/zinc/01/12/50/281011250.db2.gz KYBJFAKTGRGVHJ-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000069653865 295395233 /nfs/dbraw/zinc/39/52/33/295395233.db2.gz KGKWGFWQGXGDDN-GJZGRUSLSA-N 0 0 326.352 3.023 10 5 EGBERN C[C@@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC12CCOCC2 ZINC000349859790 297515299 /nfs/dbraw/zinc/51/52/99/297515299.db2.gz XWABCXAGDGPUIC-LBPRGKRZSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112258596 302114196 /nfs/dbraw/zinc/11/41/96/302114196.db2.gz CXSZWLCFVAJPJH-GOSISDBHSA-N 0 0 344.415 3.346 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000365546461 302942946 /nfs/dbraw/zinc/94/29/46/302942946.db2.gz LXFZJCGKBSVMJX-CYBMUJFWSA-N 0 0 348.790 3.349 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000193390997 303497871 /nfs/dbraw/zinc/49/78/71/303497871.db2.gz QDCIPVDKPXFMKX-INIZCTEOSA-N 0 0 333.775 3.408 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](CO)C2)nc1-c1ccc(F)cc1 ZINC000413617534 309039671 /nfs/dbraw/zinc/03/96/71/309039671.db2.gz TUYIOLFIGOGVPW-DOMZBBRYSA-N 0 0 345.374 3.181 10 5 EGBERN CC(C)Oc1cc(C(=O)N(C(C)C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000413831619 309049448 /nfs/dbraw/zinc/04/94/48/309049448.db2.gz ZIDTUAKEMLUVFX-CQSZACIVSA-N 0 0 336.388 3.022 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000413872702 309050832 /nfs/dbraw/zinc/05/08/32/309050832.db2.gz NMFOVZAEILCWDU-CQSZACIVSA-N 0 0 338.791 3.198 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000078148662 307416373 /nfs/dbraw/zinc/41/63/73/307416373.db2.gz XHCIZMBKQVLRFF-HOTGVXAUSA-N 0 0 338.363 3.296 10 5 EGBERN CCOc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1C ZINC000089835844 307453674 /nfs/dbraw/zinc/45/36/74/307453674.db2.gz CKCOQDDRDDFYHN-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000090445288 307459224 /nfs/dbraw/zinc/45/92/24/307459224.db2.gz UDMGJUMNFYPHSK-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000413984177 309055341 /nfs/dbraw/zinc/05/53/41/309055341.db2.gz LGLKJDLKWHTJMO-MXWKQRLJSA-N 0 0 326.780 3.100 10 5 EGBERN Cc1cc(C(=O)N(CCc2nccs2)C(C)C)cc([N+](=O)[O-])c1 ZINC000132591722 307660001 /nfs/dbraw/zinc/66/00/01/307660001.db2.gz VOOHGVGLMJINDJ-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000133018609 307666242 /nfs/dbraw/zinc/66/62/42/307666242.db2.gz MZDHCZDDWHENOJ-HNNXBMFYSA-N 0 0 326.352 3.411 10 5 EGBERN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151303899 307731150 /nfs/dbraw/zinc/73/11/50/307731150.db2.gz UMMHDKBDUKSAMH-CYBMUJFWSA-N 0 0 348.424 3.338 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000152184758 307747469 /nfs/dbraw/zinc/74/74/69/307747469.db2.gz DPRJRHWSHKJVGJ-AWEZNQCLSA-N 0 0 342.399 3.160 10 5 EGBERN COC(=O)[C@@H](c1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153052017 307765247 /nfs/dbraw/zinc/76/52/47/307765247.db2.gz MXDKWWXIYDZZPL-QGZVFWFLSA-N 0 0 344.342 3.006 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000157650759 307848831 /nfs/dbraw/zinc/84/88/31/307848831.db2.gz MLIWWWVZANOVQE-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000161925886 307907791 /nfs/dbraw/zinc/90/77/91/307907791.db2.gz IGQOEPBWLUWMIW-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000162053927 307908839 /nfs/dbraw/zinc/90/88/39/307908839.db2.gz JIECORRFMJKMMD-UHFFFAOYSA-N 0 0 348.330 3.322 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162096040 307909643 /nfs/dbraw/zinc/90/96/43/307909643.db2.gz FMYPDBZJNBZMHG-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248553302 308005556 /nfs/dbraw/zinc/00/55/56/308005556.db2.gz LAAAFKVPWHGMNW-IVMMDQJWSA-N 0 0 338.429 3.078 10 5 EGBERN COc1cc(CN2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245440 308113324 /nfs/dbraw/zinc/11/33/24/308113324.db2.gz BGIWPGRNDSUNFB-NXEZZACHSA-N 0 0 330.331 3.088 10 5 EGBERN Cc1nsc(C)c1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294802872 308258595 /nfs/dbraw/zinc/25/85/95/308258595.db2.gz DLLAHZDYYZBAOL-UHFFFAOYSA-N 0 0 345.380 3.435 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294840900 308263066 /nfs/dbraw/zinc/26/30/66/308263066.db2.gz ZDWWCLWCWWJEPO-SNVBAGLBSA-N 0 0 334.319 3.237 10 5 EGBERN CC[C@@H](C)c1nnc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000295144070 308296601 /nfs/dbraw/zinc/29/66/01/308296601.db2.gz ZYRZGNULCINYJA-RKDXNWHRSA-N 0 0 329.364 3.276 10 5 EGBERN CC(F)(F)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295645180 308346526 /nfs/dbraw/zinc/34/65/26/308346526.db2.gz UEQXAYZHGAOHPE-UHFFFAOYSA-N 0 0 325.315 3.170 10 5 EGBERN C[C@]1(F)CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000295648601 308347026 /nfs/dbraw/zinc/34/70/26/308347026.db2.gz UMYLLVHPOCYPJJ-SFHVURJKSA-N 0 0 349.406 3.162 10 5 EGBERN CCOC(=O)c1csc(CNc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000296072415 308390696 /nfs/dbraw/zinc/39/06/96/308390696.db2.gz SECIPYIEOLBPOO-UHFFFAOYSA-N 0 0 335.385 3.457 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ncccc1C ZINC000297513861 308541280 /nfs/dbraw/zinc/54/12/80/308541280.db2.gz VYFWDWJSPZNMTE-UHFFFAOYSA-N 0 0 328.372 3.225 10 5 EGBERN COC[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000297735672 308559566 /nfs/dbraw/zinc/55/95/66/308559566.db2.gz HQGDGUYJNAYFMX-CQSZACIVSA-N 0 0 342.351 3.248 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCCC2=O)cc1 ZINC000301192552 308691464 /nfs/dbraw/zinc/69/14/64/308691464.db2.gz MUGAQQRIRARBKZ-UHFFFAOYSA-N 0 0 340.383 3.427 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301303136 308695796 /nfs/dbraw/zinc/69/57/96/308695796.db2.gz WKDNFRYFTUGRAP-NWDGAFQWSA-N 0 0 337.445 3.063 10 5 EGBERN CCOC(=O)[C@]1(C)CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301734937 308712981 /nfs/dbraw/zinc/71/29/81/308712981.db2.gz AUMVKIZYUFYRPZ-OAHLLOKOSA-N 0 0 326.780 3.336 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCOc1ccc(F)c(F)c1 ZINC000301752208 308713799 /nfs/dbraw/zinc/71/37/99/308713799.db2.gz VICGHSMFIHYREM-UHFFFAOYSA-N 0 0 329.690 3.412 10 5 EGBERN COC(=O)c1cc(N2CCCC[C@H](SC)C2)cc(C)c1[N+](=O)[O-] ZINC000301779161 308714946 /nfs/dbraw/zinc/71/49/46/308714946.db2.gz MLRPOKKGVJCOPJ-ZDUSSCGKSA-N 0 0 338.429 3.412 10 5 EGBERN CS(=O)(=O)c1cccc(NCc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC000301890133 308720130 /nfs/dbraw/zinc/72/01/30/308720130.db2.gz NUAHQXBZLUYDEE-UHFFFAOYSA-N 0 0 346.408 3.099 10 5 EGBERN CC(=O)c1ccc(Oc2ccc(C(F)(F)F)nn2)c([N+](=O)[O-])c1 ZINC000301925080 308721836 /nfs/dbraw/zinc/72/18/36/308721836.db2.gz GTMALNLUEDDTGR-UHFFFAOYSA-N 0 0 327.218 3.399 10 5 EGBERN C[C@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000302003236 308724893 /nfs/dbraw/zinc/72/48/93/308724893.db2.gz TUITWFAYLPZARU-RYUDHWBXSA-N 0 0 348.428 3.277 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCc3c[nH]c4ccccc34)nn21 ZINC000302007329 308725028 /nfs/dbraw/zinc/72/50/28/308725028.db2.gz URIMOXCTAKVPDD-UHFFFAOYSA-N 0 0 336.355 3.164 10 5 EGBERN COc1cccc2[nH]cc(CCNc3ccc([N+](=O)[O-])c(C)n3)c21 ZINC000302046800 308726780 /nfs/dbraw/zinc/72/67/80/308726780.db2.gz NLNIPTHVBASTMQ-UHFFFAOYSA-N 0 0 326.356 3.443 10 5 EGBERN Cn1cc(-c2cccc(CNc3cc(CO)ccc3[N+](=O)[O-])c2)cn1 ZINC000302063308 308727690 /nfs/dbraw/zinc/72/76/90/308727690.db2.gz SQIGXKQFIFCNLZ-UHFFFAOYSA-N 0 0 338.367 3.100 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc(C)c(C)s2)c1 ZINC000302067015 308727809 /nfs/dbraw/zinc/72/78/09/308727809.db2.gz BATSHJPCLFIBNR-UHFFFAOYSA-N 0 0 335.385 3.109 10 5 EGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC000302531211 308739155 /nfs/dbraw/zinc/73/91/55/308739155.db2.gz FINLYPIWYOTSKQ-RNCFNFMXSA-N 0 0 329.194 3.219 10 5 EGBERN COC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(Cl)cc1 ZINC000302867477 308748756 /nfs/dbraw/zinc/74/87/56/308748756.db2.gz WJJZNNGKWVKCKW-LBPRGKRZSA-N 0 0 347.762 3.091 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccccc1-n1cccn1)CCN2 ZINC000302910731 308750398 /nfs/dbraw/zinc/75/03/98/308750398.db2.gz ZFVXHLDZMUYUPY-UHFFFAOYSA-N 0 0 335.367 3.361 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000324044184 308769090 /nfs/dbraw/zinc/76/90/90/308769090.db2.gz XAYXSGLRGQXMCC-UHFFFAOYSA-N 0 0 344.408 3.181 10 5 EGBERN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000331075627 308801805 /nfs/dbraw/zinc/80/18/05/308801805.db2.gz VLJQSKVBZSJINF-GXSJLCMTSA-N 0 0 328.315 3.457 10 5 EGBERN C[C@]12CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000358596097 308892149 /nfs/dbraw/zinc/89/21/49/308892149.db2.gz STGYHDMDJQJYSK-OCCSQVGLSA-N 0 0 342.367 3.191 10 5 EGBERN COc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000410475224 308917506 /nfs/dbraw/zinc/91/75/06/308917506.db2.gz ZEBHULAQKWACLG-DYZYQPBXSA-N 0 0 344.342 3.406 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1c2ccccc2CCC1(C)C ZINC000410993289 308923435 /nfs/dbraw/zinc/92/34/35/308923435.db2.gz AZNDXOKLOQCZHO-UHFFFAOYSA-N 0 0 342.399 3.248 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)c3cccc(C)c32)n1 ZINC000410987391 308923449 /nfs/dbraw/zinc/92/34/49/308923449.db2.gz XRCWZGZATAITNW-NSHDSACASA-N 0 0 328.372 3.274 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC2CC1(C(F)(F)F)C2 ZINC000411122895 308927769 /nfs/dbraw/zinc/92/77/69/308927769.db2.gz PXWRRQZVZLQPMR-UHFFFAOYSA-N 0 0 348.708 3.344 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411372570 308936055 /nfs/dbraw/zinc/93/60/55/308936055.db2.gz VNYJUPCFBNTKCN-CRAIPNDOSA-N 0 0 328.343 3.438 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000412291829 308979375 /nfs/dbraw/zinc/97/93/75/308979375.db2.gz OQFKMVJEADMSDT-MAUKXSAKSA-N 0 0 328.343 3.404 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412330656 308981269 /nfs/dbraw/zinc/98/12/69/308981269.db2.gz HAGUZTSEHPWGJK-QFBILLFUSA-N 0 0 342.370 3.481 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000412405571 308985155 /nfs/dbraw/zinc/98/51/55/308985155.db2.gz VYOJDWFHDZUWFB-SFHVURJKSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000412771097 309001876 /nfs/dbraw/zinc/00/18/76/309001876.db2.gz WIMKCTSKKQBCHB-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000412772862 309002023 /nfs/dbraw/zinc/00/20/23/309002023.db2.gz BKJKBROQRDAMIX-GFCCVEGCSA-N 0 0 342.399 3.256 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000412874576 309006581 /nfs/dbraw/zinc/00/65/81/309006581.db2.gz KAHGYCPFORCOAA-KSSFIOAISA-N 0 0 340.379 3.445 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000412952052 309009648 /nfs/dbraw/zinc/00/96/48/309009648.db2.gz PLENIKXYQBSOKS-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413221015 309022275 /nfs/dbraw/zinc/02/22/75/309022275.db2.gz RDROAHZHZJSXIO-LBPRGKRZSA-N 0 0 348.353 3.151 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000413321471 309026718 /nfs/dbraw/zinc/02/67/18/309026718.db2.gz QVRNARUANKGHTE-CYBMUJFWSA-N 0 0 331.294 3.016 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000413330916 309027220 /nfs/dbraw/zinc/02/72/20/309027220.db2.gz GXRYNMAXOJJEKC-GFCCVEGCSA-N 0 0 336.388 3.307 10 5 EGBERN CS(=O)(=O)c1ccc(NCC2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000413343827 309027825 /nfs/dbraw/zinc/02/78/25/309027825.db2.gz VURCMTBPJWOWKM-UHFFFAOYSA-N 0 0 338.429 3.381 10 5 EGBERN Cc1ncsc1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000414873877 309106695 /nfs/dbraw/zinc/10/66/95/309106695.db2.gz RWYTYPKYKCEEBA-SNVBAGLBSA-N 0 0 331.397 3.270 10 5 EGBERN CC(C)(NC(=O)c1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000415288554 309129911 /nfs/dbraw/zinc/12/99/11/309129911.db2.gz XGUJOSCNVFEVSS-UHFFFAOYSA-N 0 0 331.397 3.205 10 5 EGBERN COC1([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000416028974 309155281 /nfs/dbraw/zinc/15/52/81/309155281.db2.gz NFJDEBCRGPVHMQ-JTQLQIEISA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2cccs2)c(C)cc1[N+](=O)[O-] ZINC000416373956 309170483 /nfs/dbraw/zinc/17/04/83/309170483.db2.gz QDLSJJPIIWRUJK-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN CC(C)[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000417432721 309205878 /nfs/dbraw/zinc/20/58/78/309205878.db2.gz IDZPJGXRZLAKDZ-ZDUSSCGKSA-N 0 0 347.337 3.366 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2COc2cccnc2C)n1 ZINC000419032763 309259840 /nfs/dbraw/zinc/25/98/40/309259840.db2.gz XEHNIULQFOLVNT-HNNXBMFYSA-N 0 0 342.399 3.358 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC000421257253 309317514 /nfs/dbraw/zinc/31/75/14/309317514.db2.gz AYFLVTDTKYBGIP-HNNXBMFYSA-N 0 0 341.415 3.407 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC000424138418 309430390 /nfs/dbraw/zinc/43/03/90/309430390.db2.gz QHKPNAUDDIRIIL-CHWSQXEVSA-N 0 0 329.404 3.498 10 5 EGBERN CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000424151804 309431033 /nfs/dbraw/zinc/43/10/33/309431033.db2.gz GFABZKQJRCCNJW-AWEZNQCLSA-N 0 0 347.444 3.411 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000424695166 309452182 /nfs/dbraw/zinc/45/21/82/309452182.db2.gz ZPXUZGWEHQSWPF-KBPBESRZSA-N 0 0 337.395 3.350 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@H]3CC34CC4)cc2[N+](=O)[O-])CC1 ZINC000424986198 309461027 /nfs/dbraw/zinc/46/10/27/309461027.db2.gz MVFPVKROCWCXBM-INIZCTEOSA-N 0 0 329.400 3.113 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425024455 309462586 /nfs/dbraw/zinc/46/25/86/309462586.db2.gz YQKSAXVSFQNYFY-AEFFLSMTSA-N 0 0 328.343 3.281 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC000425118627 309466717 /nfs/dbraw/zinc/46/67/17/309466717.db2.gz LYDOOOFEYXFICV-CQSZACIVSA-N 0 0 342.399 3.425 10 5 EGBERN CCOc1cccc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c1[N+](=O)[O-] ZINC000425249119 309470083 /nfs/dbraw/zinc/47/00/83/309470083.db2.gz BWPYXLUFYURMNQ-GFCCVEGCSA-N 0 0 344.371 3.248 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425409903 309478609 /nfs/dbraw/zinc/47/86/09/309478609.db2.gz AMBJDUOWUYONHO-SJLPKXTDSA-N 0 0 343.358 3.074 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425409904 309478642 /nfs/dbraw/zinc/47/86/42/309478642.db2.gz AMBJDUOWUYONHO-WMZOPIPTSA-N 0 0 343.358 3.074 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnn1C1CCCC1 ZINC000429250054 309575344 /nfs/dbraw/zinc/57/53/44/309575344.db2.gz FCZDZDPTBAJLBL-LBPRGKRZSA-N 0 0 340.383 3.498 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000431893299 309646126 /nfs/dbraw/zinc/64/61/26/309646126.db2.gz CZRXSRPUUSIZEV-OAHLLOKOSA-N 0 0 340.379 3.292 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000433273102 309684274 /nfs/dbraw/zinc/68/42/74/309684274.db2.gz YUFKYKGYQSREQG-LRDDRELGSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1cc(C)cc(CN(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000433803124 309696938 /nfs/dbraw/zinc/69/69/38/309696938.db2.gz BYPBBNJYYIMLGC-UHFFFAOYSA-N 0 0 348.424 3.252 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455080398 310343602 /nfs/dbraw/zinc/34/36/02/310343602.db2.gz FOQKSBAJACMOJC-CZUORRHYSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)c1C ZINC000436187912 309748990 /nfs/dbraw/zinc/74/89/90/309748990.db2.gz ZQVVSISJDNBHML-CMPLNLGQSA-N 0 0 326.418 3.021 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C(C)=O)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000436653163 309766906 /nfs/dbraw/zinc/76/69/06/309766906.db2.gz AJFXIYFWFRHGRR-INIZCTEOSA-N 0 0 342.351 3.384 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000438954596 309823041 /nfs/dbraw/zinc/82/30/41/309823041.db2.gz RPZRUIGOHWJZMU-YPMHNXCESA-N 0 0 326.780 3.244 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000438954595 309823140 /nfs/dbraw/zinc/82/31/40/309823140.db2.gz RPZRUIGOHWJZMU-WCQYABFASA-N 0 0 326.780 3.244 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(n2)CCCC3)c1 ZINC000443957468 309910553 /nfs/dbraw/zinc/91/05/53/309910553.db2.gz CSPYJGHHTXPTJI-UHFFFAOYSA-N 0 0 341.367 3.267 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446322522 309960214 /nfs/dbraw/zinc/96/02/14/309960214.db2.gz POLHWEACGSCYKG-JTQLQIEISA-N 0 0 341.205 3.475 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000447170310 309974937 /nfs/dbraw/zinc/97/49/37/309974937.db2.gz ZHMUNYCTXDNLMZ-LLVKDONJSA-N 0 0 346.836 3.223 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NCCCc3c[nH]c4ccccc34)[nH]c2c1 ZINC000447675102 309985549 /nfs/dbraw/zinc/98/55/49/309985549.db2.gz KHHJLPRGSNOMDM-UHFFFAOYSA-N 0 0 335.367 3.419 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000448882800 310022112 /nfs/dbraw/zinc/02/21/12/310022112.db2.gz DEJWPRYFXJVGMW-LLVKDONJSA-N 0 0 347.396 3.200 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCN(C4CC4)CC3)n2)cc1 ZINC000448945676 310025170 /nfs/dbraw/zinc/02/51/70/310025170.db2.gz XLBQINXHQQWQAY-UHFFFAOYSA-N 0 0 330.413 3.003 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CNCc3noc(C4CC4)n3)o2)c1 ZINC000449296392 310051170 /nfs/dbraw/zinc/05/11/70/310051170.db2.gz BEWVRJVWTUGDFY-UHFFFAOYSA-N 0 0 340.339 3.405 10 5 EGBERN Cc1ccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419474 310060422 /nfs/dbraw/zinc/06/04/22/310060422.db2.gz HNCNFMWJZHSEFT-IEBWSBKVSA-N 0 0 344.386 3.203 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000449680533 310080504 /nfs/dbraw/zinc/08/05/04/310080504.db2.gz CEEXZZIIHUJWIM-MRXNPFEDSA-N 0 0 342.342 3.199 10 5 EGBERN CC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000449957287 310095917 /nfs/dbraw/zinc/09/59/17/310095917.db2.gz ZZLFMZOAGJZVFJ-JTQLQIEISA-N 0 0 339.348 3.080 10 5 EGBERN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1nc(-c2ccncc2)no1 ZINC000450396633 310120201 /nfs/dbraw/zinc/12/02/01/310120201.db2.gz WNMPEZUFXDONJG-CQSZACIVSA-N 0 0 340.343 3.244 10 5 EGBERN Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1C1CCC1 ZINC000450431767 310122271 /nfs/dbraw/zinc/12/22/71/310122271.db2.gz BOJIIMABPCKYMY-UHFFFAOYSA-N 0 0 330.373 3.018 10 5 EGBERN Cc1c(Br)c(N2CCC[C@@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000450551884 310129646 /nfs/dbraw/zinc/12/96/46/310129646.db2.gz FYYDDCMWWFFRBK-GFCCVEGCSA-N 0 0 332.173 3.389 10 5 EGBERN CC[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000450664748 310136112 /nfs/dbraw/zinc/13/61/12/310136112.db2.gz ZPCOWKGKLHZOKD-LSDHHAIUSA-N 0 0 327.384 3.254 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000450685437 310137233 /nfs/dbraw/zinc/13/72/33/310137233.db2.gz SKEXQNXIHZTJOC-UHTWSYAYSA-N 0 0 348.428 3.119 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450817244 310143963 /nfs/dbraw/zinc/14/39/63/310143963.db2.gz XMJMLGLHXBRIBE-ZDUSSCGKSA-N 0 0 340.383 3.413 10 5 EGBERN CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CCC1 ZINC000451858446 310200639 /nfs/dbraw/zinc/20/06/39/310200639.db2.gz BIVQTVTWCKOBSN-UHFFFAOYSA-N 0 0 349.412 3.000 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452599916 310234089 /nfs/dbraw/zinc/23/40/89/310234089.db2.gz VFRZPYWNDXERPR-OUCADQQQSA-N 0 0 338.429 3.120 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452643116 310235568 /nfs/dbraw/zinc/23/55/68/310235568.db2.gz JEHGOOCDQCZKRQ-ZYHUDNBSSA-N 0 0 330.306 3.327 10 5 EGBERN CC(C)c1ccc(C(=O)NCC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000452803850 310242603 /nfs/dbraw/zinc/24/26/03/310242603.db2.gz JOXKPFYJFBAXLQ-UHFFFAOYSA-N 0 0 338.379 3.214 10 5 EGBERN O=C(COc1ccsc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839231 310244696 /nfs/dbraw/zinc/24/46/96/310244696.db2.gz GBBURKSLRYIXPY-CQSZACIVSA-N 0 0 346.408 3.441 10 5 EGBERN Cc1cc(=O)[nH]cc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452844593 310245039 /nfs/dbraw/zinc/24/50/39/310245039.db2.gz IZTKCWIHNIXFAQ-AWEZNQCLSA-N 0 0 341.367 3.024 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3cccc(C)c3CC2(C)C)n1 ZINC000452986717 310251813 /nfs/dbraw/zinc/25/18/13/310251813.db2.gz UZEMYUABXGBDQW-UHFFFAOYSA-N 0 0 342.399 3.097 10 5 EGBERN C[C@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCO1 ZINC000453232709 310265693 /nfs/dbraw/zinc/26/56/93/310265693.db2.gz HIXCGCKLLQHZRV-WDEREUQCSA-N 0 0 344.371 3.285 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(Cc3ccoc3)n2)c2c1NCCC2 ZINC000453237064 310265937 /nfs/dbraw/zinc/26/59/37/310265937.db2.gz MDQYIXQBRANWBN-UHFFFAOYSA-N 0 0 326.312 3.187 10 5 EGBERN Cc1c(CNC(=O)N2CCOC[C@@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000454855893 310332849 /nfs/dbraw/zinc/33/28/49/310332849.db2.gz NYOYWQFUVBOJLO-INIZCTEOSA-N 0 0 347.415 3.004 10 5 EGBERN C[C@H](F)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000454882054 310333999 /nfs/dbraw/zinc/33/39/99/310333999.db2.gz BIBIHGQWBARCGJ-QMMMGPOBSA-N 0 0 337.273 3.161 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000455142188 310346865 /nfs/dbraw/zinc/34/68/65/310346865.db2.gz OFKHNBFJAJSNRY-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1C[C@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000455487808 310363379 /nfs/dbraw/zinc/36/33/79/310363379.db2.gz QMNYOJVTBMOTPH-CQDKDKBSSA-N 0 0 343.387 3.248 10 5 EGBERN CC[C@@H](NC(=O)NCCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000455560429 310366811 /nfs/dbraw/zinc/36/68/11/310366811.db2.gz MJXKGGQJXXVSJH-XJKSGUPXSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(CF)CCOCC1 ZINC000456116828 310389299 /nfs/dbraw/zinc/38/92/99/310389299.db2.gz DWQAYGFKRKHJRC-UHFFFAOYSA-N 0 0 344.770 3.053 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000456156057 310390974 /nfs/dbraw/zinc/39/09/74/310390974.db2.gz SJFRSJYYFNNNCA-FZMZJTMJSA-N 0 0 340.807 3.429 10 5 EGBERN CCc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000456490852 310408849 /nfs/dbraw/zinc/40/88/49/310408849.db2.gz YPWVVZWJVOZRSF-UHFFFAOYSA-N 0 0 343.261 3.094 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000457029570 310433243 /nfs/dbraw/zinc/43/32/43/310433243.db2.gz GJQDHOCLNKLXGV-OAHLLOKOSA-N 0 0 334.416 3.409 10 5 EGBERN COc1ccc(OCCN2CC3CC2(C(F)(F)F)C3)c([N+](=O)[O-])c1 ZINC000459801793 310576172 /nfs/dbraw/zinc/57/61/72/310576172.db2.gz HQUNEQYQUGRTRC-UHFFFAOYSA-N 0 0 346.305 3.009 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000459892616 310577604 /nfs/dbraw/zinc/57/76/04/310577604.db2.gz AUZLQSLBNYEVBL-OAHLLOKOSA-N 0 0 338.363 3.223 10 5 EGBERN Cc1cc(NC(=O)c2cc(F)cc(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462577158 310601968 /nfs/dbraw/zinc/60/19/68/310601968.db2.gz HOHGORPBRKTFGT-UHFFFAOYSA-N 0 0 343.289 3.404 10 5 EGBERN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462600187 310602351 /nfs/dbraw/zinc/60/23/51/310602351.db2.gz CQQOSEDCMITSDH-QWRGUYRKSA-N 0 0 332.447 3.246 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000462609470 310602595 /nfs/dbraw/zinc/60/25/95/310602595.db2.gz BECQGLUFIIEWQW-RYRKJORJSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000463951344 310616516 /nfs/dbraw/zinc/61/65/16/310616516.db2.gz QGQYNQQAGMVWKF-CABCVRRESA-N 0 0 347.415 3.492 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000464705386 310623214 /nfs/dbraw/zinc/62/32/14/310623214.db2.gz AZFLFRTWUQVJBY-AWEZNQCLSA-N 0 0 326.352 3.347 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473389210 310774308 /nfs/dbraw/zinc/77/43/08/310774308.db2.gz MFWFXWKXELGRQY-WPRPVWTQSA-N 0 0 341.289 3.489 10 5 EGBERN COc1ccc(OC)c(CCNc2cccc(OC)c2[N+](=O)[O-])c1 ZINC000475347165 310811312 /nfs/dbraw/zinc/81/13/12/310811312.db2.gz FWYWNDDWDDDZTK-UHFFFAOYSA-N 0 0 332.356 3.275 10 5 EGBERN CC(C)c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000476605718 310832183 /nfs/dbraw/zinc/83/21/83/310832183.db2.gz YEUWPMXJADYJJZ-UHFFFAOYSA-N 0 0 340.426 3.258 10 5 EGBERN COC(=O)c1cc(NC(=O)N2C[C@H](C)CC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486857402 311000747 /nfs/dbraw/zinc/00/07/47/311000747.db2.gz KBRUPODVMVQBTR-MNOVXSKESA-N 0 0 349.387 3.342 10 5 EGBERN Cn1c(=O)ccc2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc21 ZINC000487205125 311015868 /nfs/dbraw/zinc/01/58/68/311015868.db2.gz NRLWAHKECKBGLT-UHFFFAOYSA-N 0 0 327.315 3.198 10 5 EGBERN C[C@H](CC1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000487374217 311021282 /nfs/dbraw/zinc/02/12/82/311021282.db2.gz JLLSWPRQIJFYNG-CYBMUJFWSA-N 0 0 340.445 3.373 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nccn1-c1ccccc1 ZINC000487755932 311036798 /nfs/dbraw/zinc/03/67/98/311036798.db2.gz OPTDEQKTTYIHHU-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN CC(=O)Nc1cccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000487931796 311043428 /nfs/dbraw/zinc/04/34/28/311043428.db2.gz PBOLEWAIEQQWQB-UHFFFAOYSA-N 0 0 336.351 3.135 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1nc2ccccc2o1 ZINC000488072394 311050153 /nfs/dbraw/zinc/05/01/53/311050153.db2.gz FMXHAKXOICOGET-UHFFFAOYSA-N 0 0 334.335 3.361 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000490204336 311135816 /nfs/dbraw/zinc/13/58/16/311135816.db2.gz AQHMBCSHWJKBAP-LBPRGKRZSA-N 0 0 335.404 3.087 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000493932722 311445883 /nfs/dbraw/zinc/44/58/83/311445883.db2.gz CAIWMCBVFLHLBF-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000494637173 311496875 /nfs/dbraw/zinc/49/68/75/311496875.db2.gz KSCMKEYUINKGNJ-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN C[C@@H](Oc1ccccc1F)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504285635 312003045 /nfs/dbraw/zinc/00/30/45/312003045.db2.gz BXZQFMFESJNDJI-VXGBXAGGSA-N 0 0 344.342 3.479 10 5 EGBERN CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000504567732 312008140 /nfs/dbraw/zinc/00/81/40/312008140.db2.gz HKQNBJWAIZUZTR-MRXNPFEDSA-N 0 0 333.432 3.288 10 5 EGBERN CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000507504230 312075464 /nfs/dbraw/zinc/07/54/64/312075464.db2.gz XLZWLXOOUWBCMM-GHMZBOCLSA-N 0 0 332.447 3.149 10 5 EGBERN CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000508176092 312090215 /nfs/dbraw/zinc/09/02/15/312090215.db2.gz VLULJSVFCBHMNH-CYBMUJFWSA-N 0 0 327.388 3.183 10 5 EGBERN Cc1ccccc1CN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000508612410 312097884 /nfs/dbraw/zinc/09/78/84/312097884.db2.gz PDJQWNUTVUVBAZ-UHFFFAOYSA-N 0 0 337.383 3.335 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000508796883 312103053 /nfs/dbraw/zinc/10/30/53/312103053.db2.gz TWWFYZFQFGFRCP-MRXNPFEDSA-N 0 0 346.770 3.431 10 5 EGBERN Cc1cc(N2CCC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000509496897 312118716 /nfs/dbraw/zinc/11/87/16/312118716.db2.gz WMUJKRMOBYCQPQ-IBGZPJMESA-N 0 0 326.396 3.434 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(F)cc2)CC1 ZINC000515684104 312294412 /nfs/dbraw/zinc/29/44/12/312294412.db2.gz CLVNWKWQPXPWFV-UHFFFAOYSA-N 0 0 342.370 3.467 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCCCc1cccc(F)c1 ZINC000521870089 312562784 /nfs/dbraw/zinc/56/27/84/312562784.db2.gz KIOJZTJQZQSXLN-UHFFFAOYSA-N 0 0 345.374 3.285 10 5 EGBERN CC(C)N(Cc1ccccn1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000521937117 312566293 /nfs/dbraw/zinc/56/62/93/312566293.db2.gz SIXFONXOJZIGNB-UHFFFAOYSA-N 0 0 349.337 3.248 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000527094351 312828037 /nfs/dbraw/zinc/82/80/37/312828037.db2.gz QQORVOCDCOAEST-XDQVBPFNSA-N 0 0 335.404 3.172 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000527094352 312828041 /nfs/dbraw/zinc/82/80/41/312828041.db2.gz QQORVOCDCOAEST-XUXIUFHCSA-N 0 0 335.404 3.172 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000527370049 312860796 /nfs/dbraw/zinc/86/07/96/312860796.db2.gz ZWPJWCIXGOYDLS-UWVGGRQHSA-N 0 0 326.780 3.242 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531515259 313679384 /nfs/dbraw/zinc/67/93/84/313679384.db2.gz LZKBLZUZSIVEDF-IBGZPJMESA-N 0 0 339.395 3.440 10 5 EGBERN O=C(NCC1(Sc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628514 313692559 /nfs/dbraw/zinc/69/25/59/313692559.db2.gz ALOBLSRSNXIBKH-UHFFFAOYSA-N 0 0 329.381 3.045 10 5 EGBERN CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137739 313759338 /nfs/dbraw/zinc/75/93/38/313759338.db2.gz ZMLBRLFVURHLCH-UHFFFAOYSA-N 0 0 349.774 3.184 10 5 EGBERN CC[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000535731268 314064444 /nfs/dbraw/zinc/06/44/44/314064444.db2.gz LHEVNSDRZXVXEC-TVQRCGJNSA-N 0 0 329.278 3.257 10 5 EGBERN CCC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000539780574 314336506 /nfs/dbraw/zinc/33/65/06/314336506.db2.gz CRYRLKMNMKBMHB-QGZVFWFLSA-N 0 0 339.395 3.458 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000546022180 314805213 /nfs/dbraw/zinc/80/52/13/314805213.db2.gz NHMCWBXCTNVQBX-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)nc1 ZINC000546277239 314819686 /nfs/dbraw/zinc/81/96/86/314819686.db2.gz ULJGCPBQTQXNJV-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN CC1(C)CC(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000548059698 314966747 /nfs/dbraw/zinc/96/67/47/314966747.db2.gz PWGFFNJWIHWAKY-UHFFFAOYSA-N 0 0 328.315 3.362 10 5 EGBERN O=C(Nc1ccc(Cl)cn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548166326 314980840 /nfs/dbraw/zinc/98/08/40/314980840.db2.gz CTHCMMLZXXFUPQ-UHFFFAOYSA-N 0 0 332.747 3.233 10 5 EGBERN Cc1c(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000548398336 315004527 /nfs/dbraw/zinc/00/45/27/315004527.db2.gz AALFOXQYKKIHTB-UHFFFAOYSA-N 0 0 344.415 3.206 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000548498967 315018097 /nfs/dbraw/zinc/01/80/97/315018097.db2.gz XSDVHGHKPBCEEB-UHFFFAOYSA-N 0 0 340.383 3.129 10 5 EGBERN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000549079983 315073510 /nfs/dbraw/zinc/07/35/10/315073510.db2.gz ZJVNEYFIRGHXHD-UHFFFAOYSA-N 0 0 329.278 3.394 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000549591792 315097695 /nfs/dbraw/zinc/09/76/95/315097695.db2.gz IZFHBKIALUSLNR-NSHDSACASA-N 0 0 328.315 3.172 10 5 EGBERN CCc1ccc(OC[C@H](O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000550207570 315120288 /nfs/dbraw/zinc/12/02/88/315120288.db2.gz JSXKZYGBJQGYOB-OAHLLOKOSA-N 0 0 331.368 3.284 10 5 EGBERN Cc1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000551786714 315168292 /nfs/dbraw/zinc/16/82/92/315168292.db2.gz FRKMYNGSULRRHQ-SSDOTTSWSA-N 0 0 341.776 3.419 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000553111848 315245765 /nfs/dbraw/zinc/24/57/65/315245765.db2.gz YSFZCVWNERLQFP-SNVBAGLBSA-N 0 0 336.754 3.473 10 5 EGBERN CCC[C@H](C)[C@@H]1CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553147865 315247301 /nfs/dbraw/zinc/24/73/01/315247301.db2.gz WGVNTEJSIRVPFB-FZMZJTMJSA-N 0 0 335.404 3.490 10 5 EGBERN CCN(CCc1cccs1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553489137 315266123 /nfs/dbraw/zinc/26/61/23/315266123.db2.gz IFWZKXFVWMZOPV-UHFFFAOYSA-N 0 0 349.412 3.215 10 5 EGBERN CC[C@H](C)CN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218156 315373666 /nfs/dbraw/zinc/37/36/66/315373666.db2.gz VGAJHKREDRUXOU-LBPRGKRZSA-N 0 0 332.404 3.306 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000555263340 315376562 /nfs/dbraw/zinc/37/65/62/315376562.db2.gz JFCKIMQWHXCXMD-KYOSRNDESA-N 0 0 336.779 3.275 10 5 EGBERN CO[C@H]1C[C@@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000561358418 315758894 /nfs/dbraw/zinc/75/88/94/315758894.db2.gz ADSFBKXMIUQRTP-IYBDPMFKSA-N 0 0 340.379 3.439 10 5 EGBERN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561692481 315776582 /nfs/dbraw/zinc/77/65/82/315776582.db2.gz GNVRKNKLMXPFNN-ORMTXKICSA-N 0 0 326.343 3.356 10 5 EGBERN CCOc1ccc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000563461320 316025228 /nfs/dbraw/zinc/02/52/28/316025228.db2.gz AECRAHFOSRIZKT-AWEZNQCLSA-N 0 0 347.367 3.121 10 5 EGBERN C[C@H]1CCCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564635227 316178804 /nfs/dbraw/zinc/17/88/04/316178804.db2.gz UIHSVHOCOCEFDP-ZDUSSCGKSA-N 0 0 344.415 3.450 10 5 EGBERN Cc1ccc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000564696530 316188725 /nfs/dbraw/zinc/18/87/25/316188725.db2.gz UGXQUVQOSCPJIN-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN C[C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717216 316193545 /nfs/dbraw/zinc/19/35/45/316193545.db2.gz OPZWBOSYCWOIQJ-SWLSCSKDSA-N 0 0 346.408 3.360 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000564724666 316194847 /nfs/dbraw/zinc/19/48/47/316194847.db2.gz RPXZWXPLUQCDRD-UHFFFAOYSA-N 0 0 344.367 3.410 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)cc1[N+](=O)[O-] ZINC000565122443 316270707 /nfs/dbraw/zinc/27/07/07/316270707.db2.gz OBJWHIHCALXHHO-APPDUMDISA-N 0 0 346.358 3.148 10 5 EGBERN CCC1(CC)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000567196283 316581580 /nfs/dbraw/zinc/58/15/80/316581580.db2.gz BUOPMPWRMYVMDB-UHFFFAOYSA-N 0 0 326.343 3.454 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000568130845 316727885 /nfs/dbraw/zinc/72/78/85/316727885.db2.gz BPGYIBSMYXYODV-UHFFFAOYSA-N 0 0 342.248 3.357 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000570959235 317133096 /nfs/dbraw/zinc/13/30/96/317133096.db2.gz YETYESWMKUPUIN-RYUDHWBXSA-N 0 0 340.387 3.343 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OC(C)C)C1 ZINC000571168543 317160738 /nfs/dbraw/zinc/16/07/38/317160738.db2.gz WPOANWXZJNQQCC-GFCCVEGCSA-N 0 0 326.780 3.196 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000571938570 317268645 /nfs/dbraw/zinc/26/86/45/317268645.db2.gz HLQPDZJQBYAFIG-CYBMUJFWSA-N 0 0 349.412 3.416 10 5 EGBERN CC(C)OCc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572103978 317291130 /nfs/dbraw/zinc/29/11/30/317291130.db2.gz JNEDCJUSOLEYBQ-UHFFFAOYSA-N 0 0 340.383 3.430 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000572361741 317328540 /nfs/dbraw/zinc/32/85/40/317328540.db2.gz HJXFDWREYFHQEI-OAHLLOKOSA-N 0 0 333.294 3.245 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572377578 317331151 /nfs/dbraw/zinc/33/11/51/317331151.db2.gz JKBOUPAHULYREG-HOCLYGCPSA-N 0 0 339.395 3.418 10 5 EGBERN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2cccc(CCCO)c2)n1 ZINC000572451626 317339449 /nfs/dbraw/zinc/33/94/49/317339449.db2.gz ILYCIHWTVXXQLT-IAGOWNOFSA-N 0 0 344.415 3.312 10 5 EGBERN CC1(C)CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000572660116 317370990 /nfs/dbraw/zinc/37/09/90/317370990.db2.gz CJGHXWGTRCFBLJ-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN CO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000574352150 317588819 /nfs/dbraw/zinc/58/88/19/317588819.db2.gz NJTFKZQSVBFHFV-BETUJISGSA-N 0 0 338.429 3.345 10 5 EGBERN COCCOc1ccccc1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000574822869 317640441 /nfs/dbraw/zinc/64/04/41/317640441.db2.gz OCMSLWHYFSPAAV-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN COC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000171314744 323229201 /nfs/dbraw/zinc/22/92/01/323229201.db2.gz PEXWWYLMCHETSK-MRXNPFEDSA-N 0 0 346.408 3.191 10 5 EGBERN COC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000171425517 323234815 /nfs/dbraw/zinc/23/48/15/323234815.db2.gz RMNSWYXRKVAQOU-KRWDZBQOSA-N 0 0 339.351 3.194 10 5 EGBERN CC(C)(C)C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000172299795 323275662 /nfs/dbraw/zinc/27/56/62/323275662.db2.gz GGLYKFYIMZOWJM-UHFFFAOYSA-N 0 0 330.388 3.369 10 5 EGBERN Cc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000175423314 323318568 /nfs/dbraw/zinc/31/85/68/323318568.db2.gz BQJGZZUVLGSXOJ-UHFFFAOYSA-N 0 0 328.372 3.033 10 5 EGBERN Cc1c(NC(=O)NCc2cccc([N+](=O)[O-])c2)cccc1N(C)C ZINC000180108590 323423667 /nfs/dbraw/zinc/42/36/67/323423667.db2.gz DPXRZNOLJJWKNQ-UHFFFAOYSA-N 0 0 328.372 3.291 10 5 EGBERN Cc1cnn(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000181388688 323480098 /nfs/dbraw/zinc/48/00/98/323480098.db2.gz KWIIAQNDARWBEJ-UHFFFAOYSA-N 0 0 348.428 3.030 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000191624634 323807903 /nfs/dbraw/zinc/80/79/03/323807903.db2.gz FZJPBHCEHNVSGA-GFCCVEGCSA-N 0 0 332.360 3.162 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350606962 324104752 /nfs/dbraw/zinc/10/47/52/324104752.db2.gz GOSMPGZRBRKLTO-KOLCDFICSA-N 0 0 328.328 3.266 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc3cnccn32)no1 ZINC000350844261 324126973 /nfs/dbraw/zinc/12/69/73/324126973.db2.gz WUBXCEBWBYJEPD-FLIBITNWSA-N 0 0 348.322 3.248 10 5 EGBERN C/C(=C/c1nc(-c2cnc3cnccn32)no1)c1ccc([N+](=O)[O-])cc1 ZINC000350845039 324127747 /nfs/dbraw/zinc/12/77/47/324127747.db2.gz FMDMJDFFTOMGEX-FLIBITNWSA-N 0 0 348.322 3.248 10 5 EGBERN COC1(c2noc(/C=C(/C)c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000351019415 324155231 /nfs/dbraw/zinc/15/52/31/324155231.db2.gz WQOXODGWBWOFJH-QXMHVHEDSA-N 0 0 345.355 3.190 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351223025 324200512 /nfs/dbraw/zinc/20/05/12/324200512.db2.gz MYGGIFBALRMNSW-SDJAHQOYSA-N 0 0 329.356 3.389 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000575428479 324460769 /nfs/dbraw/zinc/46/07/69/324460769.db2.gz WEMVWMNTFBHCDB-UHFFFAOYSA-N 0 0 342.399 3.020 10 5 EGBERN CCC[C@H](C)[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000577284879 324778364 /nfs/dbraw/zinc/77/83/64/324778364.db2.gz HROYHVUUGQFTQF-WCBMZHEXSA-N 0 0 346.225 3.270 10 5 EGBERN CC[C@H](C)[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578094676 324916868 /nfs/dbraw/zinc/91/68/68/324916868.db2.gz HQXPZXXGHHHJPA-NWDGAFQWSA-N 0 0 332.404 3.352 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000579906295 325173321 /nfs/dbraw/zinc/17/33/21/325173321.db2.gz FCFDBNZEVHYEHQ-CYBMUJFWSA-N 0 0 346.362 3.189 10 5 EGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000580534304 325263969 /nfs/dbraw/zinc/26/39/69/325263969.db2.gz QJPCNNGKOONNIP-BONVTDFDSA-N 0 0 335.310 3.234 10 5 EGBERN CSCC(C)(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580599887 325272301 /nfs/dbraw/zinc/27/23/01/325272301.db2.gz SCOBYXVNVXGRJD-UHFFFAOYSA-N 0 0 335.429 3.124 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000347573605 457519757 /nfs/dbraw/zinc/51/97/57/457519757.db2.gz BEZKSLZXKVWNCJ-RYUDHWBXSA-N 0 0 340.445 3.234 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)CC1 ZINC000180941334 455267517 /nfs/dbraw/zinc/26/75/17/455267517.db2.gz JOWXUIOKKBAJIF-UHFFFAOYSA-N 0 0 349.456 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000183304653 455274457 /nfs/dbraw/zinc/27/44/57/455274457.db2.gz YWPUQSOWJHRHKB-UHFFFAOYSA-N 0 0 345.443 3.128 10 5 EGBERN CCO[C@H](CSCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000600635677 460553619 /nfs/dbraw/zinc/55/36/19/460553619.db2.gz DBEPFVOPEAYQMV-OAHLLOKOSA-N 0 0 339.413 3.430 10 5 EGBERN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cccnc1 ZINC000000266360 452550575 /nfs/dbraw/zinc/55/05/75/452550575.db2.gz GOFIZDOWVDVRHJ-OAHLLOKOSA-N 0 0 329.331 3.496 10 5 biogenic EGBERN Cc1cc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000173447090 455284816 /nfs/dbraw/zinc/28/48/16/455284816.db2.gz PMVVZPHWXIJMNX-AWEZNQCLSA-N 0 0 344.371 3.387 10 5 EGBERN COC(=O)c1cc(C(=O)c2c(C)cc3ccccn32)cc([N+](=O)[O-])c1 ZINC000003529951 452777774 /nfs/dbraw/zinc/77/77/74/452777774.db2.gz FGVZGKBPFSIXCV-UHFFFAOYSA-N 0 0 338.319 3.174 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCC1(C(F)(F)F)CCCC1 ZINC000600696106 460570706 /nfs/dbraw/zinc/57/07/06/460570706.db2.gz OHSOSYCFNYZYEY-UHFFFAOYSA-N 0 0 345.321 3.246 10 5 EGBERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCn1cnc([N+](=O)[O-])c1 ZINC000012525638 453367110 /nfs/dbraw/zinc/36/71/10/453367110.db2.gz MOOBMEOAVNDRFJ-LBPRGKRZSA-N 0 0 342.355 3.147 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600772411 460597187 /nfs/dbraw/zinc/59/71/87/460597187.db2.gz JBNGBEXINOWRFM-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600774347 460598349 /nfs/dbraw/zinc/59/83/49/460598349.db2.gz JXFRPACVBOHNLE-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](CCc1ccccc1)C(F)F ZINC000600792641 460607182 /nfs/dbraw/zinc/60/71/82/460607182.db2.gz KNOAYMWLWLPYHB-HNNXBMFYSA-N 0 0 349.337 3.328 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000015600644 453579348 /nfs/dbraw/zinc/57/93/48/453579348.db2.gz RIKZXWSBWAFXPW-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](CCc1ccccc1)C(F)F ZINC000600795484 460608917 /nfs/dbraw/zinc/60/89/17/460608917.db2.gz XYPVBHJZYBZLQA-ZDUSSCGKSA-N 0 0 337.326 3.261 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600802385 460609626 /nfs/dbraw/zinc/60/96/26/460609626.db2.gz GSGAMAAMMVUMLZ-ZDUSSCGKSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1ccc2cc(Cn3cc([N+](=O)[O-])ccc3=O)c(Cl)nc2c1 ZINC000016280500 453598931 /nfs/dbraw/zinc/59/89/31/453598931.db2.gz RAHAVVFURIWAIZ-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC12CC2 ZINC000600801565 460609963 /nfs/dbraw/zinc/60/99/63/460609963.db2.gz CMRDOLRYPBETMB-CQSZACIVSA-N 0 0 330.384 3.254 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600805242 460611176 /nfs/dbraw/zinc/61/11/76/460611176.db2.gz PKHUZRGATPUJHH-SCOBNMCVSA-N 0 0 346.383 3.200 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000052712170 453842780 /nfs/dbraw/zinc/84/27/80/453842780.db2.gz BCJXBPKFKJFFPT-LLVKDONJSA-N 0 0 345.355 3.495 10 5 EGBERN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000032475858 453874451 /nfs/dbraw/zinc/87/44/51/453874451.db2.gz MPZUSCIHFVWSGG-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN COc1ccc(C2(CNc3ccncc3[N+](=O)[O-])CCOCC2)cc1 ZINC000066810488 453875829 /nfs/dbraw/zinc/87/58/29/453875829.db2.gz QLWCNVAVGSDFGO-UHFFFAOYSA-N 0 0 343.383 3.159 10 5 EGBERN C[C@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032682145 453883637 /nfs/dbraw/zinc/88/36/37/453883637.db2.gz ISKUFIPSMAEOJK-YUMQZZPRSA-N 0 0 349.265 3.135 10 5 EGBERN CCc1ccc(CC)c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000075366104 453885782 /nfs/dbraw/zinc/88/57/82/453885782.db2.gz QZRDZZVLLGZIMR-UHFFFAOYSA-N 0 0 330.388 3.253 10 5 EGBERN COc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1OC(F)F ZINC000075669363 453915567 /nfs/dbraw/zinc/91/55/67/453915567.db2.gz IMXZNPNFSXMJCK-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC000067516099 453937930 /nfs/dbraw/zinc/93/79/30/453937930.db2.gz MGKOIQVEJLQSDU-LSDHHAIUSA-N 0 0 326.352 3.036 10 5 EGBERN CN(C(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000067542839 453941010 /nfs/dbraw/zinc/94/10/10/453941010.db2.gz CWTNOQSNVBFJSH-UHFFFAOYSA-N 0 0 340.314 3.196 10 5 EGBERN Cc1nnc2ccc(C(=O)O[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn12 ZINC000084190198 453976233 /nfs/dbraw/zinc/97/62/33/453976233.db2.gz OFGOCBOKADKSJR-NSHDSACASA-N 0 0 340.339 3.172 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000067901975 453978951 /nfs/dbraw/zinc/97/89/51/453978951.db2.gz URXXBTBMJCULBV-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN O=c1c([N+](=O)[O-])c(Sc2ccc(Cl)cc2)nc2ccccn12 ZINC000041817299 453979729 /nfs/dbraw/zinc/97/97/29/453979729.db2.gz XNKQUONCDGPJFY-UHFFFAOYSA-N 0 0 333.756 3.407 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000055683642 454006337 /nfs/dbraw/zinc/00/63/37/454006337.db2.gz PNSAEODMCYKSSZ-OAHLLOKOSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1[N+](=O)[O-] ZINC000084808812 454011040 /nfs/dbraw/zinc/01/10/40/454011040.db2.gz NFGJBCXHHBPAIF-CXAGYDPISA-N 0 0 348.399 3.154 10 5 EGBERN O=C(CSc1ccc2c(c1)CCC2)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797546 454015109 /nfs/dbraw/zinc/01/51/09/454015109.db2.gz YESOVWGKWPUCFW-UHFFFAOYSA-N 0 0 342.420 3.492 10 5 EGBERN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000042812261 454026777 /nfs/dbraw/zinc/02/67/77/454026777.db2.gz MJICFMJYADEYBL-JTQLQIEISA-N 0 0 335.310 3.433 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCCC[C@H]1O ZINC000086015600 454041502 /nfs/dbraw/zinc/04/15/02/454041502.db2.gz UINVBDFERIKPEL-TVQRCGJNSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1sc(C(=O)NCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000068747204 454049142 /nfs/dbraw/zinc/04/91/42/454049142.db2.gz RQADNLXPVZMZNJ-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077329809 454092317 /nfs/dbraw/zinc/09/23/17/454092317.db2.gz FKUXMNRPSVWWAV-OAHLLOKOSA-N 0 0 340.335 3.301 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc2C1 ZINC000069320899 454094443 /nfs/dbraw/zinc/09/44/43/454094443.db2.gz WDWOQCBZWGMUPD-OAHLLOKOSA-N 0 0 342.420 3.361 10 5 EGBERN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC000095415035 454206514 /nfs/dbraw/zinc/20/65/14/454206514.db2.gz XARWXEJQFIPISP-ZDUSSCGKSA-N 0 0 346.778 3.495 10 5 EGBERN CCOc1ccccc1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089835352 454212354 /nfs/dbraw/zinc/21/23/54/454212354.db2.gz GIIUHJGQEABWBM-UHFFFAOYSA-N 0 0 342.395 3.285 10 5 EGBERN CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130683993 454213227 /nfs/dbraw/zinc/21/32/27/454213227.db2.gz JFCGFONMLCFJHT-LLVKDONJSA-N 0 0 334.401 3.121 10 5 EGBERN CCOC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000078405917 454248722 /nfs/dbraw/zinc/24/87/22/454248722.db2.gz OVUYYCUVGUZAKE-ZDUSSCGKSA-N 0 0 349.774 3.402 10 5 EGBERN O=C(Cc1ccco1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000095991450 454255595 /nfs/dbraw/zinc/25/55/95/454255595.db2.gz FZZDPHNQNNJCMR-UHFFFAOYSA-N 0 0 325.118 3.132 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000120085657 454255637 /nfs/dbraw/zinc/25/56/37/454255637.db2.gz OSYKMOAMSZGTDU-CYBMUJFWSA-N 0 0 344.375 3.089 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc([N+](=O)[O-])cc2C)no1 ZINC000131520424 454261531 /nfs/dbraw/zinc/26/15/31/454261531.db2.gz SFPBKYPJTFXJKT-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000131759982 454283003 /nfs/dbraw/zinc/28/30/03/454283003.db2.gz GARXNZCPMXDIPK-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN CC(C)c1ccc(CN2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000060375233 454283810 /nfs/dbraw/zinc/28/38/10/454283810.db2.gz KMNFJWQZUPVEGM-UHFFFAOYSA-N 0 0 340.427 3.435 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)nc1 ZINC000120408910 454298403 /nfs/dbraw/zinc/29/84/03/454298403.db2.gz PWZDULKXDPBMRI-ZDUSSCGKSA-N 0 0 334.763 3.086 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466307 454308945 /nfs/dbraw/zinc/30/89/45/454308945.db2.gz BJHRBNJYANCUBU-KRWDZBQOSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000120618408 454326767 /nfs/dbraw/zinc/32/67/67/454326767.db2.gz RUNLHTHNTMQDQY-CYBMUJFWSA-N 0 0 344.415 3.176 10 5 EGBERN Cn1c(=O)c2sccc2nc1SCc1csc([N+](=O)[O-])c1 ZINC000047172202 454335834 /nfs/dbraw/zinc/33/58/34/454335834.db2.gz OCKYHGQNHGGHNQ-UHFFFAOYSA-N 0 0 339.423 3.257 10 5 EGBERN CCOc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000079002978 454352382 /nfs/dbraw/zinc/35/23/82/454352382.db2.gz YMFJRFOZQCCJSR-NSHDSACASA-N 0 0 348.355 3.395 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000133018420 454386044 /nfs/dbraw/zinc/38/60/44/454386044.db2.gz MZDHCZDDWHENOJ-OAHLLOKOSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000079262659 454388264 /nfs/dbraw/zinc/38/82/64/454388264.db2.gz LOMHZSPTKGFGMD-UHFFFAOYSA-N 0 0 339.461 3.159 10 5 EGBERN CCOc1ccccc1CCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133640837 454450022 /nfs/dbraw/zinc/45/00/22/454450022.db2.gz IBJPLIAUGYGEKD-UHFFFAOYSA-N 0 0 329.356 3.268 10 5 EGBERN Cc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)s1 ZINC000098117650 454456980 /nfs/dbraw/zinc/45/69/80/454456980.db2.gz FEUODBMLRBMYAF-MRVPVSSYSA-N 0 0 346.455 3.374 10 5 EGBERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242915 454469138 /nfs/dbraw/zinc/46/91/38/454469138.db2.gz UBQHOMWOPYUHPY-JTQLQIEISA-N 0 0 326.399 3.004 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000133959170 454487398 /nfs/dbraw/zinc/48/73/98/454487398.db2.gz XTHIYGVDGJGSFJ-ZYHUDNBSSA-N 0 0 333.294 3.319 10 5 EGBERN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000102153758 454494306 /nfs/dbraw/zinc/49/43/06/454494306.db2.gz JAVAOXBLWQLOGY-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000064819793 454509306 /nfs/dbraw/zinc/50/93/06/454509306.db2.gz NTFZHVGXKWSJTQ-AWEZNQCLSA-N 0 0 335.316 3.035 10 5 EGBERN C[C@@H](NC(=O)COc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000102600074 454509821 /nfs/dbraw/zinc/50/98/21/454509821.db2.gz REAIJBPMOUQCFZ-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@]2(CCCOC2)C1 ZINC000079998199 454514743 /nfs/dbraw/zinc/51/47/43/454514743.db2.gz YDRQVBQKCFUROZ-SFHVURJKSA-N 0 0 343.383 3.109 10 5 EGBERN CC(C)c1noc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000103375944 454551220 /nfs/dbraw/zinc/55/12/20/454551220.db2.gz PNPVLMNMEROZFY-LLVKDONJSA-N 0 0 344.371 3.012 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000104456298 454586466 /nfs/dbraw/zinc/58/64/66/454586466.db2.gz KAUOZLWJTQZTAT-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nc3ccccc3n2C)c1 ZINC000092583567 454590036 /nfs/dbraw/zinc/59/00/36/454590036.db2.gz ZHDCXBFKHNJSTK-UHFFFAOYSA-N 0 0 330.319 3.241 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1 ZINC000092606735 454593821 /nfs/dbraw/zinc/59/38/21/454593821.db2.gz UWLDPTWYHVECJF-UHFFFAOYSA-N 0 0 334.303 3.237 10 5 EGBERN Cc1occc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080611394 454606260 /nfs/dbraw/zinc/60/62/60/454606260.db2.gz UDUURPBUVDLXRW-UHFFFAOYSA-N 0 0 343.383 3.203 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092686731 454611067 /nfs/dbraw/zinc/61/10/67/454611067.db2.gz HULBGZMKQBPZGP-QWRGUYRKSA-N 0 0 343.330 3.042 10 5 EGBERN COc1ccc([C@@H](O)CNc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000080645372 454611658 /nfs/dbraw/zinc/61/16/58/454611658.db2.gz WRNICYYSGOZQSM-HNNXBMFYSA-N 0 0 332.356 3.066 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000080663316 454615283 /nfs/dbraw/zinc/61/52/83/454615283.db2.gz KFQIARURQMSMLH-NSHDSACASA-N 0 0 334.397 3.470 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000092825985 454642216 /nfs/dbraw/zinc/64/22/16/454642216.db2.gz IMTAALWRPDPLAL-LLVKDONJSA-N 0 0 331.351 3.044 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000052430895 454672548 /nfs/dbraw/zinc/67/25/48/454672548.db2.gz QPCOEBIZDTXKHW-JTQLQIEISA-N 0 0 338.770 3.332 10 5 EGBERN O=c1ccc(-c2ccccc2F)nn1Cc1csc([N+](=O)[O-])c1 ZINC000066264751 454673641 /nfs/dbraw/zinc/67/36/41/454673641.db2.gz GOSFEQXLNKOMSB-UHFFFAOYSA-N 0 0 331.328 3.067 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCSC3)cc2[N+](=O)[O-])C1 ZINC000081033382 454675641 /nfs/dbraw/zinc/67/56/41/454675641.db2.gz NXWZGOCNANBMFM-TZMCWYRMSA-N 0 0 349.456 3.066 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000093061315 454675737 /nfs/dbraw/zinc/67/57/37/454675737.db2.gz AKMQATIKEFQULB-MRXNPFEDSA-N 0 0 329.331 3.245 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000123993777 454692837 /nfs/dbraw/zinc/69/28/37/454692837.db2.gz NPBYKIWVFCWEHD-ZWKOTPCHSA-N 0 0 340.379 3.476 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000081260121 454699722 /nfs/dbraw/zinc/69/97/22/454699722.db2.gz HSRIRHZYERBDNZ-CQSZACIVSA-N 0 0 330.388 3.135 10 5 EGBERN CC[C@@H](NC(=O)N(C)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000152662496 454708242 /nfs/dbraw/zinc/70/82/42/454708242.db2.gz VKXUTESLAWSUTQ-MRXNPFEDSA-N 0 0 335.404 3.114 10 5 EGBERN C[C@H](c1cn(-c2ccccc2)nn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153175677 454767069 /nfs/dbraw/zinc/76/70/69/454767069.db2.gz GFAZHMVSOKYWJZ-CQSZACIVSA-N 0 0 349.394 3.295 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153199942 454769534 /nfs/dbraw/zinc/76/95/34/454769534.db2.gz HPGDVVXJNJPIEO-KRWDZBQOSA-N 0 0 328.343 3.470 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1cccc([N+](=O)[O-])c1 ZINC000153487955 454798783 /nfs/dbraw/zinc/79/87/83/454798783.db2.gz MMUHZCGXYQTLKD-OAHLLOKOSA-N 0 0 338.367 3.363 10 5 EGBERN CCOC(=O)C1(CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000142127193 454834452 /nfs/dbraw/zinc/83/44/52/454834452.db2.gz QGMIJZZGESXOKL-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCc2nc(C(C)C)ncc2C1 ZINC000143397564 454842612 /nfs/dbraw/zinc/84/26/12/454842612.db2.gz NUZKZMKICJAFJT-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000163974743 454870746 /nfs/dbraw/zinc/87/07/46/454870746.db2.gz WLTDRLTTYWYDMB-OAHLLOKOSA-N 0 0 340.383 3.015 10 5 EGBERN CC(C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126176001 454875224 /nfs/dbraw/zinc/87/52/24/454875224.db2.gz DKSKWIQKFDHQHT-ZDUSSCGKSA-N 0 0 340.445 3.261 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126323692 454885455 /nfs/dbraw/zinc/88/54/55/454885455.db2.gz RANMGIJYHAXVEA-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN Cc1ccnc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043403 454907568 /nfs/dbraw/zinc/90/75/68/454907568.db2.gz DONCTPREOZWAEG-HNNXBMFYSA-N 0 0 326.400 3.181 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000154691914 454919768 /nfs/dbraw/zinc/91/97/68/454919768.db2.gz VTCUAXFJFPBOPB-XJKSGUPXSA-N 0 0 335.404 3.356 10 5 EGBERN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191467779 455487970 /nfs/dbraw/zinc/48/79/70/455487970.db2.gz SHHUQGRDEYJWSX-CYBMUJFWSA-N 0 0 330.388 3.252 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCC[C@H]2SCC)cc1[N+](=O)[O-] ZINC000178074150 454932989 /nfs/dbraw/zinc/93/29/89/454932989.db2.gz PALRSVGWSIUDOK-SWLSCSKDSA-N 0 0 338.429 3.398 10 5 EGBERN O=C(CN1CCC[C@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495168 454957791 /nfs/dbraw/zinc/95/77/91/454957791.db2.gz KCHMELJKPRTPBE-GOSISDBHSA-N 0 0 329.400 3.356 10 5 EGBERN COc1ccc(C(=O)NC[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000127548654 454976173 /nfs/dbraw/zinc/97/61/73/454976173.db2.gz NNRQQVRHURNDAK-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN CC(C)c1nnc2n1C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000178870562 454986088 /nfs/dbraw/zinc/98/60/88/454986088.db2.gz SLYFJYKVPNNENB-VIFPVBQESA-N 0 0 337.330 3.015 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(F)cc3)CCCC2)n1 ZINC000191575935 455498950 /nfs/dbraw/zinc/49/89/50/455498950.db2.gz FXXROIAHDOLESC-UHFFFAOYSA-N 0 0 346.362 3.150 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nccs2)C1 ZINC000170891318 454995287 /nfs/dbraw/zinc/99/52/87/454995287.db2.gz RLQBKYRPIOKELI-NSHDSACASA-N 0 0 332.385 3.463 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1cccnc1 ZINC000115228210 455006303 /nfs/dbraw/zinc/00/63/03/455006303.db2.gz LGFYPJPCKXMGFV-LBPRGKRZSA-N 0 0 329.356 3.222 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3nc4cc(F)ccc4o3)n2)cc1 ZINC000155558284 455016012 /nfs/dbraw/zinc/01/60/12/455016012.db2.gz PFDCRKVONKHKDW-UHFFFAOYSA-N 0 0 339.286 3.182 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000151747345 455025178 /nfs/dbraw/zinc/02/51/78/455025178.db2.gz QIZFHMFQJCYJHD-PIGZYNQJSA-N 0 0 344.342 3.198 10 5 EGBERN C[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000155700053 455033398 /nfs/dbraw/zinc/03/33/98/455033398.db2.gz VGHWDWALVNZSQZ-NSHDSACASA-N 0 0 329.356 3.144 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(-c3ccc(Cl)cc3)no2)c1=O ZINC000155793057 455046601 /nfs/dbraw/zinc/04/66/01/455046601.db2.gz HOKFBBIEMCBRTA-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Br)c(F)c2)c1=O ZINC000155836441 455051599 /nfs/dbraw/zinc/05/15/99/455051599.db2.gz CUZCIBRNQQOJHP-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN CCc1nc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000171656622 455083276 /nfs/dbraw/zinc/08/32/76/455083276.db2.gz NSYCWOBSSBQFHC-JTQLQIEISA-N 0 0 334.401 3.174 10 5 EGBERN Cc1sc(C(=O)NCCOC2CCCCCC2)cc1[N+](=O)[O-] ZINC000118361373 455103768 /nfs/dbraw/zinc/10/37/68/455103768.db2.gz NUWAFEUZIDWJCC-UHFFFAOYSA-N 0 0 326.418 3.434 10 5 EGBERN CCCc1n[nH]c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000129492337 455113970 /nfs/dbraw/zinc/11/39/70/455113970.db2.gz MHCCCQMKVCBPTF-GFCCVEGCSA-N 0 0 330.388 3.112 10 5 EGBERN COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000172069141 455117310 /nfs/dbraw/zinc/11/73/10/455117310.db2.gz IYGHRTRKXAUVQZ-INIZCTEOSA-N 0 0 348.786 3.295 10 5 EGBERN Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2cccnc2)n1 ZINC000129632557 455119266 /nfs/dbraw/zinc/11/92/66/455119266.db2.gz LKYATBVYJDEKJW-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN CO[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000612566636 460663489 /nfs/dbraw/zinc/66/34/89/460663489.db2.gz QLYDFVBBQLKQTJ-JTQLQIEISA-N 0 0 346.305 3.255 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnc(-c2ccncc2)s1 ZINC000172807808 455190622 /nfs/dbraw/zinc/19/06/22/455190622.db2.gz BWWALTBQWJIFQR-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000183351745 455282308 /nfs/dbraw/zinc/28/23/08/455282308.db2.gz MQNHGDMEFWHXSI-SFHVURJKSA-N 0 0 328.368 3.182 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCCC1=O ZINC000190294116 455294799 /nfs/dbraw/zinc/29/47/99/455294799.db2.gz GEOATRYFTZNFBY-SNVBAGLBSA-N 0 0 345.321 3.427 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183675044 455319259 /nfs/dbraw/zinc/31/92/59/455319259.db2.gz YKSPDNWUEDEZJD-MRXNPFEDSA-N 0 0 344.342 3.336 10 5 EGBERN CC[C@@H](NCc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181540865 455351814 /nfs/dbraw/zinc/35/18/14/455351814.db2.gz FLYCWNLCJXLJGI-CYBMUJFWSA-N 0 0 328.328 3.479 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190699016 455369081 /nfs/dbraw/zinc/36/90/81/455369081.db2.gz ZEFNVWXZHQAGSG-UHFFFAOYSA-N 0 0 342.351 3.123 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cccc([N+](=O)[O-])c1C)n2C ZINC000184472757 455386615 /nfs/dbraw/zinc/38/66/15/455386615.db2.gz SAFUTWQFQPEQKS-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182168152 455451465 /nfs/dbraw/zinc/45/14/65/455451465.db2.gz LXUNOUHKKDCRAI-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN CC[C@@H](C)OCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182281897 455479497 /nfs/dbraw/zinc/47/94/97/455479497.db2.gz PLRDGKFLBGNTSD-MRVPVSSYSA-N 0 0 331.166 3.111 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000191697733 455511321 /nfs/dbraw/zinc/51/13/21/455511321.db2.gz JAOKYGNFFQGTSY-YPMHNXCESA-N 0 0 347.396 3.016 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCCc2ccc(F)cc2)n1 ZINC000191718158 455512781 /nfs/dbraw/zinc/51/27/81/455512781.db2.gz YDAZMWBKESJDCP-UHFFFAOYSA-N 0 0 348.378 3.093 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCOCC1 ZINC000160936616 455515816 /nfs/dbraw/zinc/51/58/16/455515816.db2.gz VTFDKPNQHVKTKN-CYBMUJFWSA-N 0 0 332.400 3.149 10 5 EGBERN O=C(Cn1ccc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161187789 455545644 /nfs/dbraw/zinc/54/56/44/455545644.db2.gz RXVBPZMVSMTZAY-UHFFFAOYSA-N 0 0 335.363 3.134 10 5 EGBERN O=C(c1ccc2c(c1O)CCCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000182774094 455585026 /nfs/dbraw/zinc/58/50/26/455585026.db2.gz DCKGIAXVFMMPIV-UHFFFAOYSA-N 0 0 338.363 3.382 10 5 EGBERN CCOc1cc(CS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000277616809 455615547 /nfs/dbraw/zinc/61/55/47/455615547.db2.gz YPXSYRXFTNFZEF-UHFFFAOYSA-N 0 0 335.381 3.109 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000247573797 455627115 /nfs/dbraw/zinc/62/71/15/455627115.db2.gz XDMDHIDZTMYUIJ-DOMZBBRYSA-N 0 0 329.356 3.352 10 5 EGBERN Cc1sc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000185933341 455656086 /nfs/dbraw/zinc/65/60/86/455656086.db2.gz FMYAOWVTADTYEO-UHFFFAOYSA-N 0 0 346.408 3.089 10 5 EGBERN COC(=O)c1cc(N[C@H](CCO)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000268511896 455703265 /nfs/dbraw/zinc/70/32/65/455703265.db2.gz WSITZHBVNPTURI-MRXNPFEDSA-N 0 0 344.367 3.225 10 5 EGBERN CCOC[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277935275 455714253 /nfs/dbraw/zinc/71/42/53/455714253.db2.gz IFQNXRFCCJGSII-LLVKDONJSA-N 0 0 326.780 3.055 10 5 EGBERN Cc1nc([C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441262 455755588 /nfs/dbraw/zinc/75/55/88/455755588.db2.gz KBBJSCNPLNGMBP-HZPDHXFCSA-N 0 0 333.413 3.230 10 5 EGBERN O=[N+]([O-])c1ccn(CCN2CC[C@@H](C(F)(F)F)c3ccccc32)n1 ZINC000292782094 455756737 /nfs/dbraw/zinc/75/67/37/455756737.db2.gz PYSIALWNCOTHPU-GFCCVEGCSA-N 0 0 340.305 3.348 10 5 EGBERN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859324 455790507 /nfs/dbraw/zinc/79/05/07/455790507.db2.gz YICNAPWMONUXRB-ZIAGYGMSSA-N 0 0 348.424 3.108 10 5 EGBERN CC[C@H](NC(=O)NCC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271951001 455802879 /nfs/dbraw/zinc/80/28/79/455802879.db2.gz XVSUDEVVRVLPAI-JKSUJKDBSA-N 0 0 349.431 3.142 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[C@H]1c1cccnc1 ZINC000253431725 455847579 /nfs/dbraw/zinc/84/75/79/455847579.db2.gz UCMVMFKLLWWEOQ-LSDHHAIUSA-N 0 0 334.335 3.280 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000194479540 455848259 /nfs/dbraw/zinc/84/82/59/455848259.db2.gz MAXTWKLVPSRJHD-UHFFFAOYSA-N 0 0 339.395 3.302 10 5 EGBERN C[C@H](CCCCO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295764500 455858564 /nfs/dbraw/zinc/85/85/64/455858564.db2.gz KCYNKTRIUZCJSQ-CYBMUJFWSA-N 0 0 338.407 3.375 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000295859910 455861799 /nfs/dbraw/zinc/86/17/99/455861799.db2.gz KPRPBXUSFHZCAE-KRWDZBQOSA-N 0 0 336.391 3.391 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000255493803 455867994 /nfs/dbraw/zinc/86/79/94/455867994.db2.gz OQDDKICIXYDBLH-WRLNGNIRSA-N 0 0 338.411 3.437 10 5 EGBERN CCN(CC)C(=S)Sc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000296229471 455885763 /nfs/dbraw/zinc/88/57/63/455885763.db2.gz DTWPLVQRHGOJPG-UHFFFAOYSA-N 0 0 342.442 3.029 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)c2cc(F)ccc2F)c1 ZINC000270153154 455889773 /nfs/dbraw/zinc/88/97/73/455889773.db2.gz SBEKZLZDBKDNCB-OAHLLOKOSA-N 0 0 338.310 3.051 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000194952810 455905182 /nfs/dbraw/zinc/90/51/82/455905182.db2.gz CHMYAFFZHWAZRW-MSOLQXFVSA-N 0 0 340.379 3.379 10 5 EGBERN CCCNC(=O)c1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000195129398 455924747 /nfs/dbraw/zinc/92/47/47/455924747.db2.gz DYCDZGCRORNCCM-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN CO[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187782829 455952298 /nfs/dbraw/zinc/95/22/98/455952298.db2.gz MVVARPKNFDVQQV-WBMJQRKESA-N 0 0 334.416 3.389 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCn2c3ccccc3nc21 ZINC000195491327 455967438 /nfs/dbraw/zinc/96/74/38/455967438.db2.gz CRRNOOVAPZCSIP-UHFFFAOYSA-N 0 0 347.334 3.086 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188085621 455994096 /nfs/dbraw/zinc/99/40/96/455994096.db2.gz UDIAPDHCOXPUAQ-LBPRGKRZSA-N 0 0 336.388 3.180 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccs3)CCCCC2)n1 ZINC000270811156 456044494 /nfs/dbraw/zinc/04/44/94/456044494.db2.gz PMMJSBJLFOOCSE-UHFFFAOYSA-N 0 0 348.428 3.022 10 5 EGBERN COCc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000601104432 460712086 /nfs/dbraw/zinc/71/20/86/460712086.db2.gz XBBULDZZKXDLJC-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN CC[C@H](C)NC(=O)c1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601105213 460712231 /nfs/dbraw/zinc/71/22/31/460712231.db2.gz VOIGXKUIFNMKSJ-NSHDSACASA-N 0 0 346.362 3.269 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601107845 460713818 /nfs/dbraw/zinc/71/38/18/460713818.db2.gz BEQNWWVDCIAZTA-UHFFFAOYSA-N 0 0 346.362 3.218 10 5 EGBERN CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296950833 456073214 /nfs/dbraw/zinc/07/32/14/456073214.db2.gz VUAYCMFQESEZIH-LBPRGKRZSA-N 0 0 348.428 3.387 10 5 EGBERN COc1cc(NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301332167 456092704 /nfs/dbraw/zinc/09/27/04/456092704.db2.gz BJHQDCOHVSSJQW-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN COCc1cccc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601103433 460710488 /nfs/dbraw/zinc/71/04/88/460710488.db2.gz WJFLDGWBUAGKKB-UHFFFAOYSA-N 0 0 330.266 3.237 10 5 EGBERN O=C(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)NC1CCCCC1 ZINC000301410714 456109843 /nfs/dbraw/zinc/10/98/43/456109843.db2.gz OYKRWMJSYIXZRA-UHFFFAOYSA-N 0 0 343.330 3.057 10 5 EGBERN CCc1nc(CNc2ncc([N+](=O)[O-])cc2Br)cs1 ZINC000301529706 456139641 /nfs/dbraw/zinc/13/96/41/456139641.db2.gz KNGMROXJADXKII-UHFFFAOYSA-N 0 0 343.206 3.383 10 5 EGBERN O=C(c1ccc(Oc2ncc(F)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000601113430 460716164 /nfs/dbraw/zinc/71/61/64/460716164.db2.gz GFCDBJOZDAAJKB-UHFFFAOYSA-N 0 0 331.303 3.157 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(C(F)(F)F)CC1 ZINC000601119964 460717596 /nfs/dbraw/zinc/71/75/96/460717596.db2.gz GWHPLKWZOGXZDL-UHFFFAOYSA-N 0 0 346.231 3.126 10 5 EGBERN C[C@H]1c2ccccc2CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601124832 460719700 /nfs/dbraw/zinc/71/97/00/460719700.db2.gz UKNWTHGAWQUDMK-QMMMGPOBSA-N 0 0 326.278 3.428 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1scnc1C1CC1 ZINC000342870027 456284569 /nfs/dbraw/zinc/28/45/69/456284569.db2.gz BNJCEOJXZCOYCZ-UHFFFAOYSA-N 0 0 332.385 3.369 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000601133052 460725391 /nfs/dbraw/zinc/72/53/91/460725391.db2.gz SJMIRAHCVPOBAU-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000352771277 456292107 /nfs/dbraw/zinc/29/21/07/456292107.db2.gz NRYWDFKRTNWDMW-CJNGLKHVSA-N 0 0 339.395 3.443 10 5 EGBERN CC(C)N(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000297778568 456292654 /nfs/dbraw/zinc/29/26/54/456292654.db2.gz NIBCNOAIMHGUSN-LLVKDONJSA-N 0 0 346.305 3.253 10 5 EGBERN COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1CO ZINC000342896180 456299864 /nfs/dbraw/zinc/29/98/64/456299864.db2.gz VFGILLYTYHHBSE-UHFFFAOYSA-N 0 0 344.367 3.012 10 5 EGBERN C[C@H]1COCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342898525 456300753 /nfs/dbraw/zinc/30/07/53/456300753.db2.gz BLCNSGZAOJJRQA-UWVGGRQHSA-N 0 0 346.305 3.016 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000302158047 456302301 /nfs/dbraw/zinc/30/23/01/456302301.db2.gz OGZRHNZJWSRZPU-AWEZNQCLSA-N 0 0 331.372 3.304 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000275761466 456306139 /nfs/dbraw/zinc/30/61/39/456306139.db2.gz FPGAITPXYCOXNZ-LERXQTSPSA-N 0 0 338.791 3.100 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](O)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297963469 456334723 /nfs/dbraw/zinc/33/47/23/456334723.db2.gz NEYAMGOFAOPVCC-HZPDHXFCSA-N 0 0 349.431 3.238 10 5 EGBERN CC[C@H](CC(F)(F)F)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601141266 460728919 /nfs/dbraw/zinc/72/89/19/460728919.db2.gz CXOTYMRBBMEKMB-RXMQYKEDSA-N 0 0 334.220 3.490 10 5 EGBERN COc1cccc([C@@H]2CN(c3cccc(C)c3[N+](=O)[O-])CCO2)c1 ZINC000302469727 456346295 /nfs/dbraw/zinc/34/62/95/456346295.db2.gz CNPCRBIGGMIKLP-KRWDZBQOSA-N 0 0 328.368 3.490 10 5 EGBERN COc1cc(NC[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000302497139 456350470 /nfs/dbraw/zinc/35/04/70/456350470.db2.gz MWSYJOSZKFMLLE-KRWDZBQOSA-N 0 0 338.404 3.355 10 5 EGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC000302531212 456354310 /nfs/dbraw/zinc/35/43/10/456354310.db2.gz FINLYPIWYOTSKQ-TVQRCGJNSA-N 0 0 329.194 3.219 10 5 EGBERN CC[C@H](NC(=O)N(C)CCCSC)c1cccc([N+](=O)[O-])c1 ZINC000281937654 456368334 /nfs/dbraw/zinc/36/83/34/456368334.db2.gz QMMKLYCUOOZRBG-AWEZNQCLSA-N 0 0 325.434 3.440 10 5 EGBERN COC(=O)c1cnc(N2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000302657300 456369368 /nfs/dbraw/zinc/36/93/68/456369368.db2.gz AIDWWRUVMYPPFK-UHFFFAOYSA-N 0 0 339.351 3.070 10 5 EGBERN Cc1nc(C)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000340307919 456376559 /nfs/dbraw/zinc/37/65/59/456376559.db2.gz TWMFVRSEPCLOIA-UHFFFAOYSA-N 0 0 330.369 3.331 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCNC(=O)c1ccccc1 ZINC000302701283 456377389 /nfs/dbraw/zinc/37/73/89/456377389.db2.gz UYQUHZUNCLKHJK-UHFFFAOYSA-N 0 0 333.775 3.399 10 5 EGBERN CC[C@@H](NC(=O)C(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000347829203 456389599 /nfs/dbraw/zinc/38/95/99/456389599.db2.gz OLOBUKMZXVLOSO-OAHLLOKOSA-N 0 0 330.315 3.184 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818866 456408752 /nfs/dbraw/zinc/40/87/52/456408752.db2.gz NQLADOIRGJJVDY-GFCCVEGCSA-N 0 0 339.367 3.227 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(OC(F)F)c1 ZINC000343143352 456431770 /nfs/dbraw/zinc/43/17/70/456431770.db2.gz WORHGQWEMVOBJU-UHFFFAOYSA-N 0 0 330.678 3.252 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1F ZINC000298397425 456445166 /nfs/dbraw/zinc/44/51/66/456445166.db2.gz WJKAZHDUPQHQFM-UHFFFAOYSA-N 0 0 328.343 3.470 10 5 EGBERN CCC1(CO)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276586467 456522529 /nfs/dbraw/zinc/52/25/29/456522529.db2.gz MKUIYWQIGGELTO-UHFFFAOYSA-N 0 0 340.807 3.181 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000298795192 456543286 /nfs/dbraw/zinc/54/32/86/456543286.db2.gz HDKTZHWMDPWPOH-SNVBAGLBSA-N 0 0 348.346 3.488 10 5 EGBERN COC(=O)c1cc(N2CCC(F)(F)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000291185138 456557100 /nfs/dbraw/zinc/55/71/00/456557100.db2.gz SFYBABDLBOKFRP-SNVBAGLBSA-N 0 0 328.315 3.171 10 5 EGBERN COc1cc(CSCCn2cc(C)cn2)c([N+](=O)[O-])cc1F ZINC000340625718 456582811 /nfs/dbraw/zinc/58/28/11/456582811.db2.gz PUTFUIHMHNGHQT-UHFFFAOYSA-N 0 0 325.365 3.181 10 5 EGBERN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340685642 456622962 /nfs/dbraw/zinc/62/29/62/456622962.db2.gz ACUSRKCCVJVSOR-UHFFFAOYSA-N 0 0 340.379 3.464 10 5 EGBERN CC(C)Oc1cc(NCc2ccc([N+](=O)[O-])cc2F)ccc1C(N)=O ZINC000340696021 456632357 /nfs/dbraw/zinc/63/23/57/456632357.db2.gz KAUCVKLZXJWYMH-UHFFFAOYSA-N 0 0 347.346 3.232 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000327643589 456707488 /nfs/dbraw/zinc/70/74/88/456707488.db2.gz TWSNNMGLZJTSJP-INIZCTEOSA-N 0 0 339.395 3.314 10 5 EGBERN CCOC(=O)c1sc([C@H](C)NCc2ccccc2[N+](=O)[O-])nc1C ZINC000348492762 456713531 /nfs/dbraw/zinc/71/35/31/456713531.db2.gz LWTXKRCICUBSRS-NSHDSACASA-N 0 0 349.412 3.387 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]1c1ccccc1Br ZINC000340857927 456723807 /nfs/dbraw/zinc/72/38/07/456723807.db2.gz OYJMCZAAYKNVRW-GXFFZTMASA-N 0 0 334.173 3.142 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000353543605 456746630 /nfs/dbraw/zinc/74/66/30/456746630.db2.gz BAHZSXYCULDXSH-UHFFFAOYSA-N 0 0 339.395 3.006 10 5 EGBERN COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000353543536 456747194 /nfs/dbraw/zinc/74/71/94/456747194.db2.gz GOSXKOZIJYCYIF-UHFFFAOYSA-N 0 0 334.397 3.254 10 5 EGBERN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000340901314 456749485 /nfs/dbraw/zinc/74/94/85/456749485.db2.gz OWUWBXHHGLAYIX-VXGBXAGGSA-N 0 0 339.355 3.452 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CCO)c3ccc(Cl)cc3)nc2c1 ZINC000340931416 456768020 /nfs/dbraw/zinc/76/80/20/456768020.db2.gz CSRHETLDLYFXME-ZDUSSCGKSA-N 0 0 346.774 3.082 10 5 EGBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000301234134 456829561 /nfs/dbraw/zinc/82/95/61/456829561.db2.gz GVVLDLCRSWHSGV-GFCCVEGCSA-N 0 0 348.353 3.345 10 5 EGBERN CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341305125 456837946 /nfs/dbraw/zinc/83/79/46/456837946.db2.gz QIHBMGZPFWICBT-SNVBAGLBSA-N 0 0 345.330 3.183 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000341309072 456840753 /nfs/dbraw/zinc/84/07/53/456840753.db2.gz UPTDPANOTMZFTE-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000341361882 456856448 /nfs/dbraw/zinc/85/64/48/456856448.db2.gz HRCAYISGDKEKMN-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(C2CC2)n1 ZINC000353715985 456869404 /nfs/dbraw/zinc/86/94/04/456869404.db2.gz XJXOVAOLCPIJIW-UHFFFAOYSA-N 0 0 333.294 3.327 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000345172103 456952475 /nfs/dbraw/zinc/95/24/75/456952475.db2.gz KVZWPQSNXSYOOS-UHFFFAOYSA-N 0 0 339.351 3.282 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356469281 457004840 /nfs/dbraw/zinc/00/48/40/457004840.db2.gz DTRSUIHEAQBJKB-SJLPKXTDSA-N 0 0 344.342 3.203 10 5 EGBERN CCOc1ccc(C(=O)NCC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000356470469 457005686 /nfs/dbraw/zinc/00/56/86/457005686.db2.gz HGFLLLQBHXOUET-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN Cc1nc2cc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)ccc2[nH]1 ZINC000358859416 457009464 /nfs/dbraw/zinc/00/94/64/457009464.db2.gz IWMBYPOELCCFAJ-UHFFFAOYSA-N 0 0 334.339 3.086 10 5 EGBERN CCN(Cc1cn(C)nn1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000359178602 457063609 /nfs/dbraw/zinc/06/36/09/457063609.db2.gz PHFDTBKNYUCIJP-UHFFFAOYSA-N 0 0 345.406 3.179 10 5 EGBERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330783372 457085720 /nfs/dbraw/zinc/08/57/20/457085720.db2.gz IDXRILWNKQYNIW-AOOOYVTPSA-N 0 0 328.315 3.314 10 5 EGBERN CCn1c(C)cc(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])c1C ZINC000349942557 457114863 /nfs/dbraw/zinc/11/48/63/457114863.db2.gz AWNVZQOFGVAWIF-UHFFFAOYSA-N 0 0 337.763 3.343 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000354294878 457179447 /nfs/dbraw/zinc/17/94/47/457179447.db2.gz DXWBNVPJHNERCD-LBPRGKRZSA-N 0 0 348.403 3.441 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000356869157 457187566 /nfs/dbraw/zinc/18/75/66/457187566.db2.gz MUGQEDFXPUBVLH-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1[N+](=O)[O-] ZINC000342282317 457210489 /nfs/dbraw/zinc/21/04/89/457210489.db2.gz PCJJWNHRFODCMR-NEPJUHHUSA-N 0 0 338.367 3.393 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)s3)no2)n1 ZINC000347103823 457231471 /nfs/dbraw/zinc/23/14/71/457231471.db2.gz APEBJROGQMBGLY-UHFFFAOYSA-N 0 0 325.737 3.243 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3[C@H](C)[C@H]3c3ccccc3)n2)n1C ZINC000347130446 457246005 /nfs/dbraw/zinc/24/60/05/457246005.db2.gz CFOMGLXZGRZZQS-JIMOISOXSA-N 0 0 339.355 3.204 10 5 EGBERN Cc1cc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)ncc1[N+](=O)[O-] ZINC000360094515 457252587 /nfs/dbraw/zinc/25/25/87/457252587.db2.gz UGRWIVABWDTBCK-JKSUJKDBSA-N 0 0 335.367 3.452 10 5 EGBERN Cc1ccnc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000360094496 457253082 /nfs/dbraw/zinc/25/30/82/457253082.db2.gz UALGRBXXGXMIBX-JKSUJKDBSA-N 0 0 335.367 3.452 10 5 EGBERN CCN1C[C@H](c2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)CC1=O ZINC000351443040 457289486 /nfs/dbraw/zinc/28/94/86/457289486.db2.gz RYSVISRNIXYPEP-GFCCVEGCSA-N 0 0 344.371 3.104 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000347244392 457307838 /nfs/dbraw/zinc/30/78/38/457307838.db2.gz YXGGBMQHZUTLHH-UHFFFAOYSA-N 0 0 330.300 3.179 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000360435773 457310646 /nfs/dbraw/zinc/31/06/46/457310646.db2.gz FVAAWPXDKABNAB-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000357224259 457382516 /nfs/dbraw/zinc/38/25/16/457382516.db2.gz UAPGRNNXAKJKFN-UHFFFAOYSA-N 0 0 348.746 3.300 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1nn(C)cc1Br ZINC000393357179 457464268 /nfs/dbraw/zinc/46/42/68/457464268.db2.gz ZMMYEGXCYRTXFU-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CCO)cc1 ZINC000357373639 457479643 /nfs/dbraw/zinc/47/96/43/457479643.db2.gz FDMSHESTWMOMRW-UHFFFAOYSA-N 0 0 334.759 3.344 10 5 EGBERN CCc1nn(C)c(NCc2nc3ccccc3n2C2CC2)c1[N+](=O)[O-] ZINC000361007776 457508533 /nfs/dbraw/zinc/50/85/33/457508533.db2.gz SCPKSEXFDSZPRR-UHFFFAOYSA-N 0 0 340.387 3.187 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCOCc1ccc(Cl)cc1 ZINC000361060742 457555171 /nfs/dbraw/zinc/55/51/71/457555171.db2.gz XAGKZIHYMNDUJC-UHFFFAOYSA-N 0 0 338.795 3.402 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000342863214 457564445 /nfs/dbraw/zinc/56/44/45/457564445.db2.gz WMCDUTUGTFORHG-HOTGVXAUSA-N 0 0 325.368 3.287 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccnc(C(F)(F)F)c1 ZINC000361084925 457574816 /nfs/dbraw/zinc/57/48/16/457574816.db2.gz CNQHVDSOYRNAED-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN COc1ccc(CN2c3ccccc3CC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000425491265 457576033 /nfs/dbraw/zinc/57/60/33/457576033.db2.gz NJJAFXTVIQLUCS-MRXNPFEDSA-N 0 0 342.395 3.307 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000364471686 457616011 /nfs/dbraw/zinc/61/60/11/457616011.db2.gz HVNGUECLSBOJAZ-NSHDSACASA-N 0 0 346.416 3.051 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](C2CC2)C1 ZINC000356450725 457632401 /nfs/dbraw/zinc/63/24/01/457632401.db2.gz XHBOEWUNQTXPNF-LBPRGKRZSA-N 0 0 340.326 3.458 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000374473941 457636996 /nfs/dbraw/zinc/63/69/96/457636996.db2.gz BEKXTLIHQPLYMH-GOSISDBHSA-N 0 0 343.358 3.196 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000374532905 457651161 /nfs/dbraw/zinc/65/11/61/457651161.db2.gz BXMSOEYOIMACGW-GOSISDBHSA-N 0 0 325.368 3.102 10 5 EGBERN CNc1c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000357685758 457655940 /nfs/dbraw/zinc/65/59/40/457655940.db2.gz HCIFRQZTYXNFRE-ZFWWWQNUSA-N 0 0 325.368 3.170 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000364678674 457672353 /nfs/dbraw/zinc/67/23/53/457672353.db2.gz YDGUXZSNVMFKOA-KZULUSFZSA-N 0 0 346.383 3.018 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000374646927 457680177 /nfs/dbraw/zinc/68/01/77/457680177.db2.gz RJHFWSBUCKVBCA-INIZCTEOSA-N 0 0 340.379 3.298 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000374783953 457706202 /nfs/dbraw/zinc/70/62/02/457706202.db2.gz RNOWXLBCOPHCPV-CQSZACIVSA-N 0 0 344.371 3.352 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCC2 ZINC000374819549 457712829 /nfs/dbraw/zinc/71/28/29/457712829.db2.gz NYFLTDBBWBYTLZ-CQSZACIVSA-N 0 0 331.397 3.476 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000370901123 457735886 /nfs/dbraw/zinc/73/58/86/457735886.db2.gz VUTPTZYZCNYOKD-AWEZNQCLSA-N 0 0 332.381 3.009 10 5 EGBERN CSc1ccc(C(=O)N2CCOC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000370903356 457736938 /nfs/dbraw/zinc/73/69/38/457736938.db2.gz FIXBOZQNVUOFKF-CYBMUJFWSA-N 0 0 348.380 3.123 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC12CCOCC2 ZINC000365665812 457769614 /nfs/dbraw/zinc/76/96/14/457769614.db2.gz BXFODHFDOKHPCG-UHFFFAOYSA-N 0 0 348.402 3.076 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411039969 457782133 /nfs/dbraw/zinc/78/21/33/457782133.db2.gz ZSZJFGVBMITTSN-GUYCJALGSA-N 0 0 349.431 3.208 10 5 EGBERN CCNc1ccc(C(=O)N2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC000411074795 457793062 /nfs/dbraw/zinc/79/30/62/457793062.db2.gz VSLGVPPNWGXPKZ-UHFFFAOYSA-N 0 0 347.415 3.202 10 5 EGBERN NC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000371148718 457808334 /nfs/dbraw/zinc/80/83/34/457808334.db2.gz ZOJAKPLUPIRFHK-CQSZACIVSA-N 0 0 345.786 3.227 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000361788196 457860413 /nfs/dbraw/zinc/86/04/13/457860413.db2.gz LXBQCIWTQFPJBL-WMLDXEAASA-N 0 0 341.367 3.494 10 5 EGBERN CC[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000426671975 457876095 /nfs/dbraw/zinc/87/60/95/457876095.db2.gz YJKMUIUFXCLAHP-GFCCVEGCSA-N 0 0 332.356 3.445 10 5 EGBERN CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000375352579 457893809 /nfs/dbraw/zinc/89/38/09/457893809.db2.gz IMQCNJGGCUGDEZ-SFHVURJKSA-N 0 0 347.415 3.089 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000366834851 457903351 /nfs/dbraw/zinc/90/33/51/457903351.db2.gz ARSSJQULTLAFLZ-CYBMUJFWSA-N 0 0 332.400 3.001 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)cs1 ZINC000361867278 457918379 /nfs/dbraw/zinc/91/83/79/457918379.db2.gz JMMDDEPPWGXGGA-VIFPVBQESA-N 0 0 339.373 3.014 10 5 EGBERN CCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)(C(=O)OC)CC1 ZINC000434139051 457952251 /nfs/dbraw/zinc/95/22/51/457952251.db2.gz UJRYHYYCIGGVOF-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361981495 457989683 /nfs/dbraw/zinc/98/96/83/457989683.db2.gz BROHXXXGHIEUQD-OAHLLOKOSA-N 0 0 346.358 3.014 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(C)C)c2C(C)C)n1 ZINC000427688095 458022877 /nfs/dbraw/zinc/02/28/77/458022877.db2.gz BFRBBPYZCWEGBH-UHFFFAOYSA-N 0 0 348.407 3.039 10 5 EGBERN O=C1C[C@@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992131 458038194 /nfs/dbraw/zinc/03/81/94/458038194.db2.gz UWAONKDBCVJAHT-QGZVFWFLSA-N 0 0 344.392 3.266 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000362247970 458052737 /nfs/dbraw/zinc/05/27/37/458052737.db2.gz AEVVISAHHMUWPS-NVXWUHKLSA-N 0 0 334.416 3.189 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCC3)C2)s1 ZINC000445707277 458079362 /nfs/dbraw/zinc/07/93/62/458079362.db2.gz MUQURQWCGCUFJJ-UHFFFAOYSA-N 0 0 330.431 3.001 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327980 458116047 /nfs/dbraw/zinc/11/60/47/458116047.db2.gz JRCINFFEZOJMHL-CBAPKCEASA-N 0 0 342.193 3.443 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000375915411 458123872 /nfs/dbraw/zinc/12/38/72/458123872.db2.gz XJVXZDLAAVDTHY-LBPRGKRZSA-N 0 0 342.399 3.290 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H](C)O1 ZINC000446074915 458141849 /nfs/dbraw/zinc/14/18/49/458141849.db2.gz ZUWSDRNCDIBLTF-AGIUHOORSA-N 0 0 331.372 3.248 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000435632968 458177986 /nfs/dbraw/zinc/17/79/86/458177986.db2.gz VIXNVRGOTMRAQP-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000435651013 458180189 /nfs/dbraw/zinc/18/01/89/458180189.db2.gz NWRBSHXTNUKMGA-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458889316 458205687 /nfs/dbraw/zinc/20/56/87/458205687.db2.gz NIPCGQDLZCGYMI-SUMWQHHRSA-N 0 0 337.420 3.142 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccncc1 ZINC000362548104 458260972 /nfs/dbraw/zinc/26/09/72/458260972.db2.gz PNYUUCAVDHLICD-INIZCTEOSA-N 0 0 347.321 3.174 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)cc1 ZINC000376353334 458276335 /nfs/dbraw/zinc/27/63/35/458276335.db2.gz QBOHQPXUOCDQCZ-AWEZNQCLSA-N 0 0 325.368 3.115 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436382621 458297490 /nfs/dbraw/zinc/29/74/90/458297490.db2.gz CKDBTYIEYNYAJQ-AULYBMBSSA-N 0 0 346.774 3.133 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](Cc2ccncc2)C1 ZINC000376453385 458304696 /nfs/dbraw/zinc/30/46/96/458304696.db2.gz GABCYRZXOVULBK-OAHLLOKOSA-N 0 0 325.368 3.261 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3nc4ccccc4s3)nc2c1 ZINC000447687324 458330177 /nfs/dbraw/zinc/33/01/77/458330177.db2.gz ICSHACSJKGZLLG-UHFFFAOYSA-N 0 0 339.380 3.157 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429805990 458373175 /nfs/dbraw/zinc/37/31/75/458373175.db2.gz JKOAHVJWCVYWHY-UHFFFAOYSA-N 0 0 340.379 3.470 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000430262073 458430395 /nfs/dbraw/zinc/43/03/95/458430395.db2.gz WZUVKPNFUOCMON-LBPRGKRZSA-N 0 0 339.189 3.420 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000377053675 458450515 /nfs/dbraw/zinc/45/05/15/458450515.db2.gz UQPCCUTWVORXFR-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](c2cccs2)C1 ZINC000377158402 458478319 /nfs/dbraw/zinc/47/83/19/458478319.db2.gz KWZKQTKJJVUKRS-HNNXBMFYSA-N 0 0 332.381 3.437 10 5 EGBERN CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459993733 458495068 /nfs/dbraw/zinc/49/50/68/458495068.db2.gz KYXRCGJUGTVYOG-UHFFFAOYSA-N 0 0 342.277 3.472 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000460193232 458504676 /nfs/dbraw/zinc/50/46/76/458504676.db2.gz NALBIKZHGBCCEQ-OLZOCXBDSA-N 0 0 329.404 3.498 10 5 EGBERN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000438072876 458528103 /nfs/dbraw/zinc/52/81/03/458528103.db2.gz LVCJMLPYRNETPD-UHFFFAOYSA-N 0 0 336.731 3.144 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CO[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431176589 458539332 /nfs/dbraw/zinc/53/93/32/458539332.db2.gz VAWYWXMMCVRKJL-APPZFPTMSA-N 0 0 343.177 3.029 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438146914 458540925 /nfs/dbraw/zinc/54/09/25/458540925.db2.gz GJNMDUIDHFIIDL-JMERFSKESA-N 0 0 340.379 3.207 10 5 EGBERN CC(C)C[C@@H]1C(=O)N(CCCCc2ccc([N+](=O)[O-])cc2)C(=O)N1C ZINC000431230949 458545745 /nfs/dbraw/zinc/54/57/45/458545745.db2.gz SFANRLGUDFLUQC-MRXNPFEDSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000493905153 458596594 /nfs/dbraw/zinc/59/65/94/458596594.db2.gz GWCXJDOKMRYMKW-OKILXGFUSA-N 0 0 338.429 3.022 10 5 EGBERN CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462600185 458634340 /nfs/dbraw/zinc/63/43/40/458634340.db2.gz CQQOSEDCMITSDH-GHMZBOCLSA-N 0 0 332.447 3.246 10 5 EGBERN CCC[C@@H](CCc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502359802 458647194 /nfs/dbraw/zinc/64/71/94/458647194.db2.gz HZMUTKIJJDULOT-HNNXBMFYSA-N 0 0 339.399 3.273 10 5 EGBERN CCCc1ncc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])o1 ZINC000456500389 458696957 /nfs/dbraw/zinc/69/69/57/458696957.db2.gz GJGCWNMUZOCNCT-UHFFFAOYSA-N 0 0 335.385 3.187 10 5 EGBERN CO[C@@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000456580379 458719755 /nfs/dbraw/zinc/71/97/55/458719755.db2.gz SONHOYCJNFOBMA-SDBXPKJASA-N 0 0 346.305 3.157 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000456592436 458724438 /nfs/dbraw/zinc/72/44/38/458724438.db2.gz HPQQTTALBCFBNP-CYBMUJFWSA-N 0 0 331.397 3.357 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cccc(Cl)c2O1 ZINC000530454264 458772308 /nfs/dbraw/zinc/77/23/08/458772308.db2.gz DWROSISZGYPZPU-VIFPVBQESA-N 0 0 333.731 3.071 10 5 EGBERN CC(C)c1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000530560197 458791427 /nfs/dbraw/zinc/79/14/27/458791427.db2.gz XISYINQYLUWFLF-UHFFFAOYSA-N 0 0 325.368 3.312 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000548093405 458836298 /nfs/dbraw/zinc/83/62/98/458836298.db2.gz QEKVBVMOEYLVPD-KWOWKCNFSA-N 0 0 343.427 3.357 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000473583858 458836346 /nfs/dbraw/zinc/83/63/46/458836346.db2.gz VGSMKUMGKDEXMF-INIZCTEOSA-N 0 0 344.415 3.408 10 5 EGBERN COc1ncccc1-c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000518451570 458869551 /nfs/dbraw/zinc/86/95/51/458869551.db2.gz WPQDFKFCJDRBBV-UHFFFAOYSA-N 0 0 346.730 3.293 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000474795147 458900991 /nfs/dbraw/zinc/90/09/91/458900991.db2.gz VNLDNKPVWYMGBJ-DAXOMENPSA-N 0 0 348.399 3.305 10 5 EGBERN CCC1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000457306329 458917912 /nfs/dbraw/zinc/91/79/12/458917912.db2.gz KBMVLXVMSURNLV-ZDUSSCGKSA-N 0 0 331.416 3.313 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000566482057 458945539 /nfs/dbraw/zinc/94/55/39/458945539.db2.gz MAVXVHDJAOSZJY-LLVKDONJSA-N 0 0 334.294 3.150 10 5 EGBERN CCCCN(C)S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556352007 458952901 /nfs/dbraw/zinc/95/29/01/458952901.db2.gz WDQXHXBHADHOHU-UHFFFAOYSA-N 0 0 343.449 3.281 10 5 EGBERN COc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000475927302 458972855 /nfs/dbraw/zinc/97/28/55/458972855.db2.gz QDIVKRPOBNENRP-BDJLRTHQSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])O2 ZINC000476564143 459007052 /nfs/dbraw/zinc/00/70/52/459007052.db2.gz MURMMVKRKRXPMW-ACJLOTCBSA-N 0 0 340.379 3.474 10 5 EGBERN CNc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000532128042 459033967 /nfs/dbraw/zinc/03/39/67/459033967.db2.gz OEBLABXCMALYFQ-UHFFFAOYSA-N 0 0 327.340 3.214 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577581192 459054255 /nfs/dbraw/zinc/05/42/55/459054255.db2.gz VAQSOCNKRRENKC-ZYHUDNBSSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000532388235 459078689 /nfs/dbraw/zinc/07/86/89/459078689.db2.gz AEELHAPWJRNYSO-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000532393286 459080135 /nfs/dbraw/zinc/08/01/35/459080135.db2.gz ZRUOBWJAQJQZEJ-NOZJJQNGSA-N 0 0 335.722 3.068 10 5 EGBERN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])c(OC(C)C)n2)no1 ZINC000594546433 459085436 /nfs/dbraw/zinc/08/54/36/459085436.db2.gz FYWKPZTVLBYYBY-LBPRGKRZSA-N 0 0 347.375 3.200 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000594552772 459088115 /nfs/dbraw/zinc/08/81/15/459088115.db2.gz JTCLQGAZFRGJMM-QGZVFWFLSA-N 0 0 335.404 3.174 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000557681300 459097763 /nfs/dbraw/zinc/09/77/63/459097763.db2.gz FATWPJPVCBIUMX-NSHDSACASA-N 0 0 340.301 3.275 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594588948 459099597 /nfs/dbraw/zinc/09/95/97/459099597.db2.gz ALSZECWGNGZWNT-HOTGVXAUSA-N 0 0 334.372 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3ccc4cccnc4n3)CC2)cn1 ZINC000594590461 459100641 /nfs/dbraw/zinc/10/06/41/459100641.db2.gz BMWCBVFABXGUSH-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN COC[C@@H](CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)OC ZINC000594704973 459135337 /nfs/dbraw/zinc/13/53/37/459135337.db2.gz IGFWMQQXSZWVOG-QGZVFWFLSA-N 0 0 332.356 3.460 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000558399882 459154285 /nfs/dbraw/zinc/15/42/85/459154285.db2.gz ZHYAQFXRYNYUMR-HAQNSBGRSA-N 0 0 334.372 3.065 10 5 EGBERN CO[C@@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CCCCC1 ZINC000594900101 459170554 /nfs/dbraw/zinc/17/05/54/459170554.db2.gz NJXSYWZIQXPZRM-HNNXBMFYSA-N 0 0 347.371 3.007 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1C[C@H]1CCCCC1(F)F)CCCC2 ZINC000567851485 459177286 /nfs/dbraw/zinc/17/72/86/459177286.db2.gz LMZAJPYLMKDFPR-GFCCVEGCSA-N 0 0 326.343 3.461 10 5 EGBERN CSCC1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000590711068 459191378 /nfs/dbraw/zinc/19/13/78/459191378.db2.gz BRWNLJUOXCBALB-UHFFFAOYSA-N 0 0 325.434 3.003 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CNc1ccc3c(c1)CCOC3)OCCO2 ZINC000594977939 459204046 /nfs/dbraw/zinc/20/40/46/459204046.db2.gz CPZJWQLDUXOOQX-UHFFFAOYSA-N 0 0 342.351 3.051 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000590828689 459235821 /nfs/dbraw/zinc/23/58/21/459235821.db2.gz IWVYVDVMSMGUED-OCCSQVGLSA-N 0 0 325.315 3.412 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595102607 459246054 /nfs/dbraw/zinc/24/60/54/459246054.db2.gz OAIYWRAUPOJQHM-VIFPVBQESA-N 0 0 341.795 3.128 10 5 EGBERN COc1ccc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536671 459248809 /nfs/dbraw/zinc/24/88/09/459248809.db2.gz MYICEDZEEKCNIC-YJYMSZOUSA-N 0 0 342.395 3.427 10 5 EGBERN CCOC(=O)c1c(C)n[nH]c1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000595418926 459294586 /nfs/dbraw/zinc/29/45/86/459294586.db2.gz GCUGIGJUATYEQI-AWEZNQCLSA-N 0 0 346.387 3.044 10 5 EGBERN COc1ccc(CNC(=O)NCC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000595448590 459306143 /nfs/dbraw/zinc/30/61/43/459306143.db2.gz JPFMOCOKSCBAIV-UHFFFAOYSA-N 0 0 345.346 3.084 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595452081 459307238 /nfs/dbraw/zinc/30/72/38/459307238.db2.gz IAMDLQXTKUEZGI-ZDUSSCGKSA-N 0 0 345.374 3.473 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595478567 459317500 /nfs/dbraw/zinc/31/75/00/459317500.db2.gz AKOVIILBWYVLHN-YGRLFVJLSA-N 0 0 327.331 3.390 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000568640594 459322475 /nfs/dbraw/zinc/32/24/75/459322475.db2.gz ZHRPZZUQBTXPLG-SKDRFNHKSA-N 0 0 328.796 3.084 10 5 EGBERN C[C@H]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000534450892 459327154 /nfs/dbraw/zinc/32/71/54/459327154.db2.gz VWYIBAWEXKTBRD-ONGXEEELSA-N 0 0 328.315 3.362 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(C2CCC2)CC1 ZINC000595523530 459334394 /nfs/dbraw/zinc/33/43/94/459334394.db2.gz RYHVYISHINNHIK-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595549655 459344134 /nfs/dbraw/zinc/34/41/34/459344134.db2.gz UQZYPIJCCCKOMS-JSGCOSHPSA-N 0 0 335.404 3.079 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000524604775 459375207 /nfs/dbraw/zinc/37/52/07/459375207.db2.gz GNESIJDLFFIVFJ-SECBINFHSA-N 0 0 334.825 3.127 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758308 459428355 /nfs/dbraw/zinc/42/83/55/459428355.db2.gz HZYVUFLMFUBURD-QGZVFWFLSA-N 0 0 346.358 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOC[C@H]2c2cccc(F)c2)c(F)c1 ZINC000595757786 459428462 /nfs/dbraw/zinc/42/84/62/459428462.db2.gz FKVMVAVWGLOHJO-KRWDZBQOSA-N 0 0 334.322 3.447 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOc2ccccc2F)c1 ZINC000541115069 459428757 /nfs/dbraw/zinc/42/87/57/459428757.db2.gz NMWLNLFGGLOKEL-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000595757250 459428895 /nfs/dbraw/zinc/42/88/95/459428895.db2.gz CBLSENNQJGECJU-KRWDZBQOSA-N 0 0 334.322 3.447 10 5 EGBERN COCCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000591785273 459435028 /nfs/dbraw/zinc/43/50/28/459435028.db2.gz IFYLPAIGONPDJL-UHFFFAOYSA-N 0 0 338.429 3.204 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000595799530 459446708 /nfs/dbraw/zinc/44/67/08/459446708.db2.gz MIUSPUNUIIOFKE-CYBMUJFWSA-N 0 0 341.358 3.070 10 5 EGBERN CC(C)[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000595816211 459450084 /nfs/dbraw/zinc/45/00/84/459450084.db2.gz FOKVDSPOAXXVPT-QGZVFWFLSA-N 0 0 344.415 3.352 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@H](C)C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000583028873 459470663 /nfs/dbraw/zinc/47/06/63/459470663.db2.gz WMUORIUIRKWQCY-SNVBAGLBSA-N 0 0 337.376 3.246 10 5 EGBERN CC[C@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000525639872 459470732 /nfs/dbraw/zinc/47/07/32/459470732.db2.gz DHSWYCYZBWYINR-KRWDZBQOSA-N 0 0 330.384 3.251 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595890244 459476654 /nfs/dbraw/zinc/47/66/54/459476654.db2.gz DPMXGBPAUYUHTE-ZWNOBZJWSA-N 0 0 348.321 3.145 10 5 EGBERN COc1cc(CN2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000541717712 459482379 /nfs/dbraw/zinc/48/23/79/459482379.db2.gz FCHFCOXEMNMIJW-SFHVURJKSA-N 0 0 334.416 3.385 10 5 EGBERN CCN(CCOC)c1cccc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000583111738 459483561 /nfs/dbraw/zinc/48/35/61/459483561.db2.gz BTYXFNBNDFFBGX-UHFFFAOYSA-N 0 0 345.399 3.350 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@H]1CCO[C@@]3(CCSC3)C1)CCCC2 ZINC000591925481 459487689 /nfs/dbraw/zinc/48/76/89/459487689.db2.gz XHPGMODUZWALPD-GUYCJALGSA-N 0 0 349.456 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000591958282 459497133 /nfs/dbraw/zinc/49/71/33/459497133.db2.gz RPCNAQRYXWLMID-AAEUAGOBSA-N 0 0 335.404 3.102 10 5 EGBERN COC(=O)CCCCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596054171 459502618 /nfs/dbraw/zinc/50/26/18/459502618.db2.gz JZTYDZCEUIUQKZ-UHFFFAOYSA-N 0 0 330.768 3.402 10 5 EGBERN CCOC(=O)[C@H]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596056389 459503578 /nfs/dbraw/zinc/50/35/78/459503578.db2.gz XNETXKYRTNLMSM-JTQLQIEISA-N 0 0 342.779 3.036 10 5 EGBERN CC1(C)CCC[C@H]1[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000591982694 459504384 /nfs/dbraw/zinc/50/43/84/459504384.db2.gz PXCDIBVPKTXJAG-OLZOCXBDSA-N 0 0 329.404 3.290 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592007012 459509887 /nfs/dbraw/zinc/50/98/87/459509887.db2.gz WGPYJHFCEPNJCF-NWDGAFQWSA-N 0 0 338.408 3.042 10 5 EGBERN COc1ccc(CNC(=O)C/C=C/c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000486660028 459514281 /nfs/dbraw/zinc/51/42/81/459514281.db2.gz UPNLYWXIMHLTJW-HWKANZROSA-N 0 0 344.342 3.462 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1C ZINC000486701583 459516070 /nfs/dbraw/zinc/51/60/70/459516070.db2.gz LNEQCCAYNAQQMD-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN COC(=O)CC1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596088471 459516452 /nfs/dbraw/zinc/51/64/52/459516452.db2.gz SATXFUBJSPEXHB-UHFFFAOYSA-N 0 0 342.779 3.036 10 5 EGBERN COc1cc(NCc2cc(OC)c(O)c(OC)c2)c([N+](=O)[O-])cc1C ZINC000596124257 459529037 /nfs/dbraw/zinc/52/90/37/459529037.db2.gz VCZOLWSIRFUMLI-UHFFFAOYSA-N 0 0 348.355 3.247 10 5 EGBERN CC[C@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145907 459535638 /nfs/dbraw/zinc/53/56/38/459535638.db2.gz RZNHZYSTBGQMDB-NXEZZACHSA-N 0 0 344.795 3.244 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccc(F)c1 ZINC000596151672 459538398 /nfs/dbraw/zinc/53/83/98/459538398.db2.gz ISMQIWSELUADIA-PIGZYNQJSA-N 0 0 343.358 3.420 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)[C@H](C)CO2)c1 ZINC000596153530 459540043 /nfs/dbraw/zinc/54/00/43/459540043.db2.gz HCUHSLFMVOJZOG-CZUORRHYSA-N 0 0 342.399 3.155 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000596154438 459540064 /nfs/dbraw/zinc/54/00/64/459540064.db2.gz JNHGPFOGYYOHAR-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596203444 459559903 /nfs/dbraw/zinc/55/99/03/459559903.db2.gz NJVHSOGFRYPZDS-GUBZILKMSA-N 0 0 342.779 3.037 10 5 EGBERN CO[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000596203506 459559934 /nfs/dbraw/zinc/55/99/34/459559934.db2.gz OLDBHMTYQHXTSP-CABZTGNLSA-N 0 0 329.194 3.219 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000526942509 459562625 /nfs/dbraw/zinc/56/26/25/459562625.db2.gz HLAPRYPELQWOQC-UHFFFAOYSA-N 0 0 326.356 3.077 10 5 EGBERN O=c1[nH]ccc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000596216840 459563857 /nfs/dbraw/zinc/56/38/57/459563857.db2.gz TVZRJNGKCQWURN-KOLCDFICSA-N 0 0 337.282 3.265 10 5 EGBERN Cc1cc(N2CCC(n3cc(N(C)C)cn3)CC2)c([N+](=O)[O-])s1 ZINC000596246583 459573539 /nfs/dbraw/zinc/57/35/39/459573539.db2.gz XEQMWIOSXORGFB-UHFFFAOYSA-N 0 0 335.433 3.069 10 5 EGBERN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000527057265 459583552 /nfs/dbraw/zinc/58/35/52/459583552.db2.gz KVJTUPJZGQFTLC-HNNXBMFYSA-N 0 0 327.384 3.235 10 5 EGBERN CC[C@@H](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288506 459585677 /nfs/dbraw/zinc/58/56/77/459585677.db2.gz JUJPDSGTHUZMMI-NXEZZACHSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2ncc(Cl)c2C2CC2)c1 ZINC000596313367 459593268 /nfs/dbraw/zinc/59/32/68/459593268.db2.gz UQDKMRXLQDJFAA-UHFFFAOYSA-N 0 0 335.747 3.157 10 5 EGBERN C[C@H](C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572916282 459595112 /nfs/dbraw/zinc/59/51/12/459595112.db2.gz AZNXMXDPAMRASB-KBPBESRZSA-N 0 0 342.395 3.494 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596359276 459607323 /nfs/dbraw/zinc/60/73/23/459607323.db2.gz FXPLHWOTLBAYTK-XJKCOSOUSA-N 0 0 345.399 3.121 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000596441835 459637400 /nfs/dbraw/zinc/63/74/00/459637400.db2.gz RDXHWPURHPCFRD-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC000596445662 459639060 /nfs/dbraw/zinc/63/90/60/459639060.db2.gz CCLXBDGWFKBKBJ-UHFFFAOYSA-N 0 0 347.375 3.007 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)[C@H]2c2ccco2)c(F)c1 ZINC000596447912 459639600 /nfs/dbraw/zinc/63/96/00/459639600.db2.gz WWQXJITZNMQQEE-CQSZACIVSA-N 0 0 333.319 3.080 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@H]2CC2(F)F)c(Br)c1 ZINC000596446926 459639861 /nfs/dbraw/zinc/63/98/61/459639861.db2.gz HUWYXGXHYCEFOU-JTQLQIEISA-N 0 0 337.120 3.193 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000592615362 459645962 /nfs/dbraw/zinc/64/59/62/459645962.db2.gz WLZOQPUHHJZCDT-UHFFFAOYSA-N 0 0 348.399 3.242 10 5 EGBERN C[C@@]1(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(F)F ZINC000596475674 459650611 /nfs/dbraw/zinc/65/06/11/459650611.db2.gz KZNVVAMMCUWLQV-CQSZACIVSA-N 0 0 325.315 3.327 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000596480016 459651640 /nfs/dbraw/zinc/65/16/40/459651640.db2.gz YCOOADIFCJCKFM-LBPRGKRZSA-N 0 0 335.379 3.063 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000596482549 459652411 /nfs/dbraw/zinc/65/24/11/459652411.db2.gz LTPVULQKPLZCEZ-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596486612 459653179 /nfs/dbraw/zinc/65/31/79/459653179.db2.gz AVZDNXGFXWAAGE-YPMHNXCESA-N 0 0 335.795 3.200 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000596487348 459653840 /nfs/dbraw/zinc/65/38/40/459653840.db2.gz HFYYXGJMWFWOBZ-GXTWGEPZSA-N 0 0 348.378 3.299 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000596491328 459654996 /nfs/dbraw/zinc/65/49/96/459654996.db2.gz KDKCRGAVNZGSGP-JTQLQIEISA-N 0 0 344.314 3.197 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCC(O)(C1CC1)C1CC1 ZINC000596490973 459655207 /nfs/dbraw/zinc/65/52/07/459655207.db2.gz AXUBIGDJWFVHCS-UHFFFAOYSA-N 0 0 341.205 3.320 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596500967 459657657 /nfs/dbraw/zinc/65/76/57/459657657.db2.gz HIGMJTADOYBRIN-UHFFFAOYSA-N 0 0 337.383 3.178 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000592676032 459662371 /nfs/dbraw/zinc/66/23/71/459662371.db2.gz HVQCHYLYQHXBLA-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)C1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000592681589 459663972 /nfs/dbraw/zinc/66/39/72/459663972.db2.gz PJNQTAZYJZYGOU-HNNXBMFYSA-N 0 0 334.420 3.002 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@H]3C2)nc1-c1ccccc1 ZINC000596528663 459668424 /nfs/dbraw/zinc/66/84/24/459668424.db2.gz NWOZEYXEVYSOCS-HUUCEWRRSA-N 0 0 325.368 3.130 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000592694737 459668757 /nfs/dbraw/zinc/66/87/57/459668757.db2.gz FYDXYQJFWXSQQN-QWHCGFSZSA-N 0 0 334.420 3.100 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)CCC(F)(F)CC2)c2ncccc12 ZINC000596535138 459669229 /nfs/dbraw/zinc/66/92/29/459669229.db2.gz UXQCVFPJRHSGCZ-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN COc1cc(N2C[C@]34COC[C@@]3(C2)CCCC4)c(F)cc1[N+](=O)[O-] ZINC000596568199 459679309 /nfs/dbraw/zinc/67/93/09/459679309.db2.gz QNGOAYMOIPJAFR-CALCHBBNSA-N 0 0 336.363 3.140 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000596574704 459682101 /nfs/dbraw/zinc/68/21/01/459682101.db2.gz QARXLGPNLYGDAW-AWEZNQCLSA-N 0 0 327.388 3.246 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C3CCC(C4CC4)CC3)n2)n1C ZINC000596592460 459689036 /nfs/dbraw/zinc/68/90/36/459689036.db2.gz GFVUZJLBDPQIBM-UHFFFAOYSA-N 0 0 331.376 3.371 10 5 EGBERN CC1(C)CC[C@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000596600676 459693093 /nfs/dbraw/zinc/69/30/93/459693093.db2.gz BNKIZPXHZCPCIM-NSHDSACASA-N 0 0 340.343 3.129 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000592818124 459697517 /nfs/dbraw/zinc/69/75/17/459697517.db2.gz BXWPJICWCCHZLF-JSGCOSHPSA-N 0 0 348.399 3.035 10 5 EGBERN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592825934 459699595 /nfs/dbraw/zinc/69/95/95/459699595.db2.gz LTFCPXXJENFVGU-LLVKDONJSA-N 0 0 329.347 3.194 10 5 EGBERN Cc1nn(C)c(-c2nc(CCc3ccccc3Cl)no2)c1[N+](=O)[O-] ZINC000596614617 459700083 /nfs/dbraw/zinc/70/00/83/459700083.db2.gz VNBOEEKPBBZTBP-UHFFFAOYSA-N 0 0 347.762 3.125 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C(C)(C)C ZINC000596623952 459702358 /nfs/dbraw/zinc/70/23/58/459702358.db2.gz AQOYFVCSHNNGLQ-UHFFFAOYSA-N 0 0 331.319 3.406 10 5 EGBERN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421011 459735529 /nfs/dbraw/zinc/73/55/29/459735529.db2.gz ZJSQLRYKVLYSNE-WFASDCNBSA-N 0 0 341.415 3.251 10 5 EGBERN CC[C@H](c1ccncc1)N(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593020458 459742585 /nfs/dbraw/zinc/74/25/85/459742585.db2.gz ZYMITFKVQWUOKQ-MRXNPFEDSA-N 0 0 343.383 3.360 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000593021951 459743016 /nfs/dbraw/zinc/74/30/16/459743016.db2.gz ZSARJYPLPUBBCJ-LBPRGKRZSA-N 0 0 344.367 3.241 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000596788745 459762693 /nfs/dbraw/zinc/76/26/93/459762693.db2.gz WOFAIAZXBPZANT-GUYCJALGSA-N 0 0 343.383 3.455 10 5 EGBERN Cc1cc(C)c2c(c1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000593082321 459767757 /nfs/dbraw/zinc/76/77/57/459767757.db2.gz PDEPHKRTURBVDP-UHFFFAOYSA-N 0 0 341.367 3.049 10 5 EGBERN CSCC1(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593128416 459782212 /nfs/dbraw/zinc/78/22/12/459782212.db2.gz IOQOYFVLSNAYAE-UHFFFAOYSA-N 0 0 345.424 3.345 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OC(C)C ZINC000544826878 459787033 /nfs/dbraw/zinc/78/70/33/459787033.db2.gz LOJOPZRLJYJWFR-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN Cn1ncc2ccc(-c3noc(-c4cc(F)cc([N+](=O)[O-])c4)n3)cc21 ZINC000544972486 459794441 /nfs/dbraw/zinc/79/44/41/459794441.db2.gz DIOJQXFRSGLLHG-UHFFFAOYSA-N 0 0 339.286 3.338 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@@H](C)c2nc(C)no2)c1 ZINC000593187843 459801332 /nfs/dbraw/zinc/80/13/32/459801332.db2.gz UWMISHCAQBKZQW-QMMMGPOBSA-N 0 0 337.357 3.067 10 5 EGBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593213987 459809039 /nfs/dbraw/zinc/80/90/39/459809039.db2.gz CNEQXKZQVMVHNN-UHFFFAOYSA-N 0 0 347.758 3.480 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000574365805 459809754 /nfs/dbraw/zinc/80/97/54/459809754.db2.gz HVKPEIKVWPULEA-VIFPVBQESA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593284193 459829299 /nfs/dbraw/zinc/82/92/99/459829299.db2.gz SUOWXQRHHHAPKP-ZYHUDNBSSA-N 0 0 326.780 3.196 10 5 EGBERN CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1F ZINC000593289518 459831192 /nfs/dbraw/zinc/83/11/92/459831192.db2.gz XWNIFVXAQIISJE-HNNXBMFYSA-N 0 0 348.378 3.205 10 5 EGBERN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCCOC1 ZINC000593296808 459832399 /nfs/dbraw/zinc/83/23/99/459832399.db2.gz ULRSCZWIDNCAMB-ZDUSSCGKSA-N 0 0 334.397 3.451 10 5 EGBERN CCc1noc(C)c1-c1noc(Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000593301711 459834366 /nfs/dbraw/zinc/83/43/66/459834366.db2.gz GPUBUHLYDUTNPT-UHFFFAOYSA-N 0 0 332.291 3.234 10 5 EGBERN CC(C)CCOCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094433 459836586 /nfs/dbraw/zinc/83/65/86/459836586.db2.gz HEAWXDAHADVBMB-UHFFFAOYSA-N 0 0 344.799 3.015 10 5 EGBERN CC[C@@]1(C)CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597103923 459837609 /nfs/dbraw/zinc/83/76/09/459837609.db2.gz MYAKIWPWTOCWEA-AWEZNQCLSA-N 0 0 326.784 3.484 10 5 EGBERN CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585756869 459842437 /nfs/dbraw/zinc/84/24/37/459842437.db2.gz GXEXXAWHAWMNFJ-LLVKDONJSA-N 0 0 335.404 3.136 10 5 EGBERN CCOc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000597125934 459843994 /nfs/dbraw/zinc/84/39/94/459843994.db2.gz DVSARYCQXIBEOL-UHFFFAOYSA-N 0 0 344.371 3.361 10 5 EGBERN COC(=O)C[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000598272757 459845785 /nfs/dbraw/zinc/84/57/85/459845785.db2.gz YOKMYKFYLOORDK-AWEZNQCLSA-N 0 0 348.399 3.037 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593353451 459858621 /nfs/dbraw/zinc/85/86/21/459858621.db2.gz KUJPTVVMSBUSBF-CYBMUJFWSA-N 0 0 348.252 3.068 10 5 EGBERN C[C@H](C(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593352177 459859068 /nfs/dbraw/zinc/85/90/68/459859068.db2.gz CXNGIBHBJCGADL-XPTSAGLGSA-N 0 0 328.290 3.095 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000598309450 459859884 /nfs/dbraw/zinc/85/98/84/459859884.db2.gz WYSRYKIZONHQPO-OCCSQVGLSA-N 0 0 338.429 3.386 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1CCC2(CC2(F)F)CC1 ZINC000598317130 459863469 /nfs/dbraw/zinc/86/34/69/459863469.db2.gz DUAPTJDQYNFSKS-UHFFFAOYSA-N 0 0 340.326 3.058 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(COC)ccn1 ZINC000593368667 459868378 /nfs/dbraw/zinc/86/83/78/459868378.db2.gz FRPRUMIYBAOXEO-OAHLLOKOSA-N 0 0 343.383 3.344 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372164 459870384 /nfs/dbraw/zinc/87/03/84/459870384.db2.gz XNXIIYVQVCBKJZ-DZGCQCFKSA-N 0 0 339.342 3.487 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372149 459870428 /nfs/dbraw/zinc/87/04/28/459870428.db2.gz XKDCFQGJAVVYES-CYBMUJFWSA-N 0 0 327.331 3.487 10 5 EGBERN Cc1c(CC(=O)N2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598351747 459876179 /nfs/dbraw/zinc/87/61/79/459876179.db2.gz NGFRABMKVSYVGL-ZDUSSCGKSA-N 0 0 332.400 3.006 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000586813728 459880652 /nfs/dbraw/zinc/88/06/52/459880652.db2.gz XPWRZCXBRTYOBA-ZDUSSCGKSA-N 0 0 334.763 3.339 10 5 EGBERN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000597224072 459882194 /nfs/dbraw/zinc/88/21/94/459882194.db2.gz DKKIHQMWVWASQD-MNOVXSKESA-N 0 0 330.331 3.196 10 5 EGBERN CCOc1cc(C(=O)N[C@@H](C(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000598382070 459884124 /nfs/dbraw/zinc/88/41/24/459884124.db2.gz WCWKRGKOAKQTCB-INIZCTEOSA-N 0 0 336.388 3.167 10 5 EGBERN CC(C)(C(=O)N1CCC(c2ccon2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000598400224 459890219 /nfs/dbraw/zinc/89/02/19/459890219.db2.gz XWKDFHSSGCXPAC-UHFFFAOYSA-N 0 0 343.383 3.267 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCN(CC(F)(F)F)C1 ZINC000593458895 459895267 /nfs/dbraw/zinc/89/52/67/459895267.db2.gz WAXMUWWSAFPXQZ-JTQLQIEISA-N 0 0 340.305 3.192 10 5 EGBERN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000597256177 459897285 /nfs/dbraw/zinc/89/72/85/459897285.db2.gz LQLRUKFMQNSZCI-LEOCGOGGSA-N 0 0 326.343 3.353 10 5 EGBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Sc1ccccc1 ZINC000587987159 459897834 /nfs/dbraw/zinc/89/78/34/459897834.db2.gz WWIBINJUCYHLAF-LLVKDONJSA-N 0 0 333.413 3.262 10 5 EGBERN CSc1ccc(F)cc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587989241 459898757 /nfs/dbraw/zinc/89/87/57/459898757.db2.gz HSVMANSFTOFXGI-UHFFFAOYSA-N 0 0 337.376 3.142 10 5 EGBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1F ZINC000587988558 459899383 /nfs/dbraw/zinc/89/93/83/459899383.db2.gz KYXVOSFXFOGNHR-VIFPVBQESA-N 0 0 337.326 3.163 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(c2ccncn2)CC1 ZINC000593480366 459901431 /nfs/dbraw/zinc/90/14/31/459901431.db2.gz VLDXFWXZPPRGQN-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN Cc1cccc(C2=CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)c1 ZINC000588011268 459901848 /nfs/dbraw/zinc/90/18/48/459901848.db2.gz WPCHKROALGKISR-UHFFFAOYSA-N 0 0 339.395 3.271 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598454305 459902489 /nfs/dbraw/zinc/90/24/89/459902489.db2.gz MKSUACCTEUSDHH-LLVKDONJSA-N 0 0 334.397 3.354 10 5 EGBERN Nc1cc(N[C@H]2CCCOc3cc(F)ccc32)cc(CO)c1[N+](=O)[O-] ZINC000588012756 459902922 /nfs/dbraw/zinc/90/29/22/459902922.db2.gz DSACSYUICTXZEI-HNNXBMFYSA-N 0 0 347.346 3.134 10 5 EGBERN COc1cc(NC[C@@]2(CO)CCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000593485556 459903322 /nfs/dbraw/zinc/90/33/22/459903322.db2.gz YTVYMKUKNFFRCR-GOSISDBHSA-N 0 0 346.358 3.031 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593485784 459903355 /nfs/dbraw/zinc/90/33/55/459903355.db2.gz XDBHQSKVROSOKT-QGZVFWFLSA-N 0 0 332.379 3.427 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588018537 459903582 /nfs/dbraw/zinc/90/35/82/459903582.db2.gz GUACNPWTHCIWPY-JTQLQIEISA-N 0 0 347.419 3.102 10 5 EGBERN CCCCC[C@H]1CCCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000598462302 459903965 /nfs/dbraw/zinc/90/39/65/459903965.db2.gz YVUJVFUHFUVBQO-ZDUSSCGKSA-N 0 0 334.420 3.028 10 5 EGBERN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@@H]1C(F)(F)F ZINC000588031575 459904226 /nfs/dbraw/zinc/90/42/26/459904226.db2.gz WBYCGUADCNQRCO-LBPRGKRZSA-N 0 0 347.337 3.084 10 5 EGBERN COc1cc(C(=O)N(CCC2CC2)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000598466184 459904796 /nfs/dbraw/zinc/90/47/96/459904796.db2.gz NENFPRVFNDHGSG-UHFFFAOYSA-N 0 0 348.399 3.264 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)nc1 ZINC000546230973 459905221 /nfs/dbraw/zinc/90/52/21/459905221.db2.gz WQEHQHDMJAJNAA-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCCC[C@H]1CCO ZINC000588049068 459906371 /nfs/dbraw/zinc/90/63/71/459906371.db2.gz DSCMCUCUFMXGTJ-LBPRGKRZSA-N 0 0 343.221 3.489 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609128343 459906625 /nfs/dbraw/zinc/90/66/25/459906625.db2.gz USBMZPZOWYLKCO-HIFRSBDPSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000598507759 459926147 /nfs/dbraw/zinc/92/61/47/459926147.db2.gz NXAAWGYDSBOCOY-GXFFZTMASA-N 0 0 346.305 3.085 10 5 EGBERN CC(C)(NC(=O)c1onc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000597360752 459928840 /nfs/dbraw/zinc/92/88/40/459928840.db2.gz LGMZFVPFLKLEGL-UHFFFAOYSA-N 0 0 329.356 3.127 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000598540206 459932821 /nfs/dbraw/zinc/93/28/21/459932821.db2.gz PJVDEAQNWKOTAI-PXAZEXFGSA-N 0 0 328.368 3.009 10 5 EGBERN COCC1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000598551272 459935071 /nfs/dbraw/zinc/93/50/71/459935071.db2.gz PIKALOZZRODJJD-UHFFFAOYSA-N 0 0 348.399 3.023 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000598553720 459935573 /nfs/dbraw/zinc/93/55/73/459935573.db2.gz AQBMULHBHDXUBP-UHFFFAOYSA-N 0 0 337.379 3.154 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)[C@H]1C ZINC000597406152 459941691 /nfs/dbraw/zinc/94/16/91/459941691.db2.gz AUYZBJSVTLVIRT-STQMWFEESA-N 0 0 341.415 3.498 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598576514 459947571 /nfs/dbraw/zinc/94/75/71/459947571.db2.gz UWSSXXVZWAPJIJ-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000598578158 459948143 /nfs/dbraw/zinc/94/81/43/459948143.db2.gz QVALDKNRZCALMC-CYBMUJFWSA-N 0 0 340.379 3.340 10 5 EGBERN CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000598583023 459952724 /nfs/dbraw/zinc/95/27/24/459952724.db2.gz JLAKSLYJEAEJSA-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN CCS[C@@H]1CCC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598602541 459961487 /nfs/dbraw/zinc/96/14/87/459961487.db2.gz SYFXUBFHTSIJKW-GHMZBOCLSA-N 0 0 339.417 3.253 10 5 EGBERN O=C(C1[C@@H]2CCCCCC[C@@H]12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597477754 459967621 /nfs/dbraw/zinc/96/76/21/459967621.db2.gz NTXQKATWUYMCQJ-HUUCEWRRSA-N 0 0 329.400 3.091 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC1(F)F ZINC000588788213 459982335 /nfs/dbraw/zinc/98/23/35/459982335.db2.gz LSLWJBMAPYUICS-OCCSQVGLSA-N 0 0 326.343 3.468 10 5 EGBERN CC(C)n1cc([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000609570388 459984527 /nfs/dbraw/zinc/98/45/27/459984527.db2.gz GLVBJBJJUYWXJP-LLVKDONJSA-N 0 0 341.371 3.345 10 5 EGBERN CC[C@@H](OCCNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000593787258 459985215 /nfs/dbraw/zinc/98/52/15/459985215.db2.gz PYQJZSPZRZLTTK-MRXNPFEDSA-N 0 0 343.383 3.075 10 5 EGBERN CC[C@@H](OCCNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000593786713 459985648 /nfs/dbraw/zinc/98/56/48/459985648.db2.gz MNCHNINPEBDBDV-MRXNPFEDSA-N 0 0 343.383 3.075 10 5 EGBERN CC[C@H](OCCNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000593786710 459985882 /nfs/dbraw/zinc/98/58/82/459985882.db2.gz MNCHNINPEBDBDV-INIZCTEOSA-N 0 0 343.383 3.075 10 5 EGBERN CNc1ccc(C(=O)N[C@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000609577756 459986066 /nfs/dbraw/zinc/98/60/66/459986066.db2.gz SYRIKUBSULSEJI-GFCCVEGCSA-N 0 0 343.383 3.006 10 5 EGBERN CC(C)(C)OC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000593802007 459989325 /nfs/dbraw/zinc/98/93/25/459989325.db2.gz JAOIYWFRAVWUIP-UHFFFAOYSA-N 0 0 340.401 3.041 10 5 EGBERN O=C([C@@H]1CCCC2(CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597548755 459991133 /nfs/dbraw/zinc/99/11/33/459991133.db2.gz OBLGPWSPKVJSKN-CYBMUJFWSA-N 0 0 330.384 3.155 10 5 EGBERN C[C@@H](CCOCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588849934 459991545 /nfs/dbraw/zinc/99/15/45/459991545.db2.gz GBUOTMOKFDAELN-ZDUSSCGKSA-N 0 0 345.399 3.077 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000598691851 459995517 /nfs/dbraw/zinc/99/55/17/459995517.db2.gz QFGRKFKURUEPAY-OAHLLOKOSA-N 0 0 342.399 3.399 10 5 EGBERN CC[C@@H](NC(=O)c1c(Cl)cnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000598691362 459995853 /nfs/dbraw/zinc/99/58/53/459995853.db2.gz OZNMJOLTXCMFPO-CYBMUJFWSA-N 0 0 336.779 3.346 10 5 EGBERN CSc1cccnc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000593843926 460000204 /nfs/dbraw/zinc/00/02/04/460000204.db2.gz IQAKXAJHTYDSHS-UHFFFAOYSA-N 0 0 347.396 3.428 10 5 EGBERN CSc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000588910553 460002188 /nfs/dbraw/zinc/00/21/88/460002188.db2.gz VQGDBLGGPDUJAG-UHFFFAOYSA-N 0 0 339.323 3.171 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593856433 460004379 /nfs/dbraw/zinc/00/43/79/460004379.db2.gz WQZZDCPGZBQBCV-LBPRGKRZSA-N 0 0 342.399 3.072 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609675097 460008033 /nfs/dbraw/zinc/00/80/33/460008033.db2.gz URTFUWLDZBRLGB-UHFFFAOYSA-N 0 0 337.376 3.131 10 5 EGBERN Cc1cccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000575832365 460012310 /nfs/dbraw/zinc/01/23/10/460012310.db2.gz ZIANLBZLSRJXBZ-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCc2ccccc2N1 ZINC000593914486 460015127 /nfs/dbraw/zinc/01/51/27/460015127.db2.gz CLLUGVKXTCFRSO-OAHLLOKOSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@H]1CCc2ccccc2N1 ZINC000593914212 460015758 /nfs/dbraw/zinc/01/57/58/460015758.db2.gz AXFBAGJQDOISJO-MRXNPFEDSA-N 0 0 339.395 3.071 10 5 EGBERN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000588989882 460016680 /nfs/dbraw/zinc/01/66/80/460016680.db2.gz OWFMBHRHQCRCBG-MRVPVSSYSA-N 0 0 326.324 3.354 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1ccccc1[N+](=O)[O-] ZINC000593916870 460017229 /nfs/dbraw/zinc/01/72/29/460017229.db2.gz SSRRHSFYYOSTRG-CQSZACIVSA-N 0 0 325.368 3.142 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1 ZINC000597692159 460029993 /nfs/dbraw/zinc/02/99/93/460029993.db2.gz OQXYXUOTIHDOEA-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598779178 460031476 /nfs/dbraw/zinc/03/14/76/460031476.db2.gz BJBUXISBXSCTGJ-NXEZZACHSA-N 0 0 330.356 3.237 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC2(F)F)cc1SC ZINC000598781528 460032098 /nfs/dbraw/zinc/03/20/98/460032098.db2.gz JZCPXUJIVAJVBJ-QMMMGPOBSA-N 0 0 346.355 3.100 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598786068 460034986 /nfs/dbraw/zinc/03/49/86/460034986.db2.gz ZIMHILXSAHFBBP-OLZOCXBDSA-N 0 0 326.343 3.325 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729701 460042741 /nfs/dbraw/zinc/04/27/41/460042741.db2.gz NIBALWAFWNVYEX-WMLDXEAASA-N 0 0 342.399 3.250 10 5 EGBERN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCCC1 ZINC000598826040 460053992 /nfs/dbraw/zinc/05/39/92/460053992.db2.gz CBENMZFJZMSOGK-INIZCTEOSA-N 0 0 329.356 3.287 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@H]2C[C@H]2C)[nH][nH]1 ZINC000597796397 460064473 /nfs/dbraw/zinc/06/44/73/460064473.db2.gz PZLNIAWYYUJCRY-XCBNKYQSSA-N 0 0 334.763 3.077 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1C1CCCCC1 ZINC000610190786 460077936 /nfs/dbraw/zinc/07/79/36/460077936.db2.gz FKYKDFDTJCZXGN-GJZGRUSLSA-N 0 0 332.400 3.449 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1ccccn1 ZINC000597862641 460084066 /nfs/dbraw/zinc/08/40/66/460084066.db2.gz CSKLZMGENRHGLQ-GOEBONIOSA-N 0 0 341.411 3.478 10 5 EGBERN C[C@@H](C(=O)NC[C@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000597866649 460086413 /nfs/dbraw/zinc/08/64/13/460086413.db2.gz YBJGDRALXATACB-NWDGAFQWSA-N 0 0 331.347 3.152 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000598890177 460087123 /nfs/dbraw/zinc/08/71/23/460087123.db2.gz LICAAFASVFRRBC-GWCFXTLKSA-N 0 0 346.305 3.003 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](C)C(=O)OC(C)(C)C ZINC000597869787 460087824 /nfs/dbraw/zinc/08/78/24/460087824.db2.gz KKASJRHXPGMGBG-SECBINFHSA-N 0 0 342.417 3.157 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000598895007 460087714 /nfs/dbraw/zinc/08/77/14/460087714.db2.gz BOHDORMNDXDNBB-CYBMUJFWSA-N 0 0 327.331 3.242 10 5 EGBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1C2CCCC1CCC2 ZINC000610235800 460091314 /nfs/dbraw/zinc/09/13/14/460091314.db2.gz DMBSKKNRASFMFN-UHFFFAOYSA-N 0 0 340.383 3.328 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000610246337 460096386 /nfs/dbraw/zinc/09/63/86/460096386.db2.gz NUHMSEGMYKQTME-PIMMBPRGSA-N 0 0 335.404 3.123 10 5 EGBERN O=[N+]([O-])c1cccc(CN2CCc3nccc(Br)c3C2)c1 ZINC000598945446 460098084 /nfs/dbraw/zinc/09/80/84/460098084.db2.gz IMFXNCARESBKSH-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000594102743 460101733 /nfs/dbraw/zinc/10/17/33/460101733.db2.gz RGRINCIUJRYBDX-UHFFFAOYSA-N 0 0 349.368 3.259 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597917780 460109202 /nfs/dbraw/zinc/10/92/02/460109202.db2.gz AVOHLUZPTMTLJT-CYBMUJFWSA-N 0 0 330.359 3.332 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597920620 460112438 /nfs/dbraw/zinc/11/24/38/460112438.db2.gz VDYQYXGYVQVEEM-CYBMUJFWSA-N 0 0 326.780 3.183 10 5 EGBERN CCC(O)(CC)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000597943712 460121883 /nfs/dbraw/zinc/12/18/83/460121883.db2.gz FAUIKAPWDZXRNV-UHFFFAOYSA-N 0 0 328.434 3.272 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599001929 460124737 /nfs/dbraw/zinc/12/47/37/460124737.db2.gz ZJJATDMNSAXAHG-CRQFQMBKSA-N 0 0 335.404 3.075 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164756 460135380 /nfs/dbraw/zinc/13/53/80/460135380.db2.gz LMLDSIVWFWEWIF-WCQYABFASA-N 0 0 346.305 3.133 10 5 EGBERN C[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000576410596 460137032 /nfs/dbraw/zinc/13/70/32/460137032.db2.gz MYKCNXRMHIHCPM-LLVKDONJSA-N 0 0 330.388 3.433 10 5 EGBERN CC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000594175964 460137621 /nfs/dbraw/zinc/13/76/21/460137621.db2.gz NBHCBHFYCJVVIF-WBVHZDCISA-N 0 0 345.399 3.083 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000589808833 460140862 /nfs/dbraw/zinc/14/08/62/460140862.db2.gz VJXHLXLZKDSNHE-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610400090 460142789 /nfs/dbraw/zinc/14/27/89/460142789.db2.gz YTBXHSHFTOIIQO-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000598015110 460145041 /nfs/dbraw/zinc/14/50/41/460145041.db2.gz RJNWIDWAPUHDHM-JTQLQIEISA-N 0 0 335.385 3.330 10 5 EGBERN COc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000599060463 460145092 /nfs/dbraw/zinc/14/50/92/460145092.db2.gz AHKDVPUKFZQRPS-QMMMGPOBSA-N 0 0 342.277 3.007 10 5 EGBERN C[C@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594211915 460153761 /nfs/dbraw/zinc/15/37/61/460153761.db2.gz HUNWPPXZYSADOG-WHOFXGATSA-N 0 0 335.404 3.301 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000594230377 460161927 /nfs/dbraw/zinc/16/19/27/460161927.db2.gz ILYFBTWCKKKULD-JTQLQIEISA-N 0 0 325.315 3.015 10 5 EGBERN C[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599100365 460161979 /nfs/dbraw/zinc/16/19/79/460161979.db2.gz CJQKGYOFFDEQNN-RFIQDPTOSA-N 0 0 333.413 3.245 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000599119490 460165957 /nfs/dbraw/zinc/16/59/57/460165957.db2.gz ZFCZPZUNHWFPGM-SNVBAGLBSA-N 0 0 329.282 3.019 10 5 EGBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3ccc(C)c([N+](=O)[O-])c3)no1)CC2 ZINC000599123913 460167638 /nfs/dbraw/zinc/16/76/38/460167638.db2.gz PZNHZPIVNZCYGF-ZDUSSCGKSA-N 0 0 339.355 3.188 10 5 EGBERN COC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)S3)cc(C)c1[N+](=O)[O-] ZINC000599133918 460170243 /nfs/dbraw/zinc/17/02/43/460170243.db2.gz BNQJFHPJUWQNOY-OLZOCXBDSA-N 0 0 336.413 3.164 10 5 EGBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)CC2 ZINC000599131948 460170331 /nfs/dbraw/zinc/17/03/31/460170331.db2.gz BUHXHPHVOSPQTN-LBPRGKRZSA-N 0 0 339.355 3.188 10 5 EGBERN CC[C@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000599143889 460173439 /nfs/dbraw/zinc/17/34/39/460173439.db2.gz YIVDDZSQNHXZOI-OAHLLOKOSA-N 0 0 329.400 3.493 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@]23C[C@H]2COC3(C)C)ccc1[N+](=O)[O-] ZINC000599143701 460173943 /nfs/dbraw/zinc/17/39/43/460173943.db2.gz VJODXKWKXOEDRB-VXJOIVPMSA-N 0 0 340.763 3.014 10 5 EGBERN CC1(C)C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C(C)(C)O1 ZINC000599145632 460175384 /nfs/dbraw/zinc/17/53/84/460175384.db2.gz XJBPXSAGAKHHQW-GFCCVEGCSA-N 0 0 332.360 3.025 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000599152536 460178295 /nfs/dbraw/zinc/17/82/95/460178295.db2.gz ZOVIPBSCJZONIY-CHWSQXEVSA-N 0 0 339.355 3.430 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594282728 460179406 /nfs/dbraw/zinc/17/94/06/460179406.db2.gz KWFWSQNUOQGSKO-HOTGVXAUSA-N 0 0 349.431 3.477 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(C)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610556405 460182830 /nfs/dbraw/zinc/18/28/30/460182830.db2.gz NUEZHBDTULUJIS-GFCCVEGCSA-N 0 0 338.314 3.147 10 5 EGBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599166909 460183917 /nfs/dbraw/zinc/18/39/17/460183917.db2.gz WBMLAGZOGLIUGZ-YGRLFVJLSA-N 0 0 342.779 3.018 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C(F)(F)F ZINC000599172220 460187204 /nfs/dbraw/zinc/18/72/04/460187204.db2.gz FJHGOUVCABALNS-JQLIAFOBSA-N 0 0 348.346 3.103 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599180102 460190225 /nfs/dbraw/zinc/19/02/25/460190225.db2.gz JOURTIUZKPALSS-GXFFZTMASA-N 0 0 327.178 3.337 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CO[C@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000599181924 460191549 /nfs/dbraw/zinc/19/15/49/460191549.db2.gz VFVLUXCCOFGPFG-ONGXEEELSA-N 0 0 342.193 3.040 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000599201264 460197614 /nfs/dbraw/zinc/19/76/14/460197614.db2.gz HTWSYPDYBSTBKA-ZZKXABKFSA-N 0 0 328.372 3.426 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599202683 460198529 /nfs/dbraw/zinc/19/85/29/460198529.db2.gz ONUFAXHSANKTPP-IKUJJKIKSA-N 0 0 335.404 3.157 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000610620706 460200271 /nfs/dbraw/zinc/20/02/71/460200271.db2.gz SURCJEUWIGOYMX-CQSZACIVSA-N 0 0 331.347 3.440 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC2(F)F)C1 ZINC000594386997 460202206 /nfs/dbraw/zinc/20/22/06/460202206.db2.gz BJIFJBFMMUZOOF-UHFFFAOYSA-N 0 0 328.340 3.188 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CCF)C1 ZINC000598221334 460211684 /nfs/dbraw/zinc/21/16/84/460211684.db2.gz QJEUXZIOGXYPGG-CQSZACIVSA-N 0 0 337.395 3.385 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(c2)CCOC3)cc([N+](=O)[O-])c1C ZINC000598227360 460213761 /nfs/dbraw/zinc/21/37/61/460213761.db2.gz QJETZDMVBXIBON-UHFFFAOYSA-N 0 0 342.351 3.237 10 5 EGBERN Cc1cc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000598232376 460215581 /nfs/dbraw/zinc/21/55/81/460215581.db2.gz WXJDXSXZKIJFMH-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccc(C)cc3)C2)c1 ZINC000598234708 460216694 /nfs/dbraw/zinc/21/66/94/460216694.db2.gz JTUKJOKWIKHUSA-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CC(C)(CCn1cc([N+](=O)[O-])cc(Br)c1=O)C1CC1 ZINC000594448702 460224206 /nfs/dbraw/zinc/22/42/06/460224206.db2.gz OJSFMZARJSJTJH-UHFFFAOYSA-N 0 0 329.194 3.345 10 5 EGBERN C[C@@H](NC(=O)N1CC(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610749058 460230753 /nfs/dbraw/zinc/23/07/53/460230753.db2.gz KLYCWLNCTUURSH-SECBINFHSA-N 0 0 331.294 3.250 10 5 EGBERN CC(C)(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000610771090 460234458 /nfs/dbraw/zinc/23/44/58/460234458.db2.gz UBVUIJPYCZSMDQ-UHFFFAOYSA-N 0 0 329.356 3.097 10 5 EGBERN CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610792047 460238289 /nfs/dbraw/zinc/23/82/89/460238289.db2.gz HDWQUPVORWOHNA-KRWDZBQOSA-N 0 0 325.368 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Cl)ccc2OC(F)F)c1=O ZINC000610797751 460239269 /nfs/dbraw/zinc/23/92/69/460239269.db2.gz TWABBCJNBURNBT-UHFFFAOYSA-N 0 0 344.701 3.368 10 5 EGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599507450 460263875 /nfs/dbraw/zinc/26/38/75/460263875.db2.gz VQBGFYQJMNXCOR-HZMBPMFUSA-N 0 0 344.820 3.201 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599527487 460268663 /nfs/dbraw/zinc/26/86/63/460268663.db2.gz BFXHFWCVLFVJEC-JDGPPOGSSA-N 0 0 342.392 3.101 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000599538144 460270204 /nfs/dbraw/zinc/27/02/04/460270204.db2.gz VDZPJXFAFZEDAW-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN CO[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000615206917 460293495 /nfs/dbraw/zinc/29/34/95/460293495.db2.gz WOGIHXCPWDFRGV-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599638539 460295039 /nfs/dbraw/zinc/29/50/39/460295039.db2.gz NFQPTOCUYOFYOB-SWLSCSKDSA-N 0 0 344.333 3.208 10 5 EGBERN COC(=O)[C@](C)(NCCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000599655723 460299595 /nfs/dbraw/zinc/29/95/95/460299595.db2.gz WQBUPSVZDBKYCT-QGZVFWFLSA-N 0 0 348.424 3.267 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599658173 460300668 /nfs/dbraw/zinc/30/06/68/460300668.db2.gz PTSFDXUXLUAARN-SNVBAGLBSA-N 0 0 341.205 3.475 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCc2ccc(O)cc2CC1 ZINC000611203163 460307193 /nfs/dbraw/zinc/30/71/93/460307193.db2.gz KEMDZHHQLXMSSS-UHFFFAOYSA-N 0 0 335.363 3.454 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702954 460316060 /nfs/dbraw/zinc/31/60/60/460316060.db2.gz VOWPMFOUIBWBFR-NMSKTSORSA-N 0 0 327.768 3.182 10 5 EGBERN Cc1cccc(C(=O)N2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000611256341 460319052 /nfs/dbraw/zinc/31/90/52/460319052.db2.gz UWCZBDLBCLHKKQ-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(SC)c1 ZINC000619306079 460325380 /nfs/dbraw/zinc/32/53/80/460325380.db2.gz JPBYDAPDXIJCHK-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN C[C@@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599801853 460336417 /nfs/dbraw/zinc/33/64/17/460336417.db2.gz YJOICEIYDOISQP-SSDOTTSWSA-N 0 0 348.737 3.482 10 5 EGBERN CC(C)(NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000619371900 460337623 /nfs/dbraw/zinc/33/76/23/460337623.db2.gz GXTVRHLUVYZHGC-UHFFFAOYSA-N 0 0 335.738 3.134 10 5 EGBERN CC[C@@H](C[C@@H](C)CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829300 460342965 /nfs/dbraw/zinc/34/29/65/460342965.db2.gz BRXRCIAAHWYVID-NEPJUHHUSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@@H]1CC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H](C)O1 ZINC000599833179 460343750 /nfs/dbraw/zinc/34/37/50/460343750.db2.gz QPUAVPWZTRJZSH-GHMZBOCLSA-N 0 0 344.371 3.221 10 5 EGBERN COCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832082 460343917 /nfs/dbraw/zinc/34/39/17/460343917.db2.gz SQOBIJFPUNUTPQ-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCSC1 ZINC000599833406 460344127 /nfs/dbraw/zinc/34/41/27/460344127.db2.gz REQQKOXKTUGPMM-SNVBAGLBSA-N 0 0 332.385 3.112 10 5 EGBERN CCOCCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831676 460344134 /nfs/dbraw/zinc/34/41/34/460344134.db2.gz VUUFGZWUXXUYNU-UHFFFAOYSA-N 0 0 332.360 3.081 10 5 EGBERN C[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833809 460344720 /nfs/dbraw/zinc/34/47/20/460344720.db2.gz YNFMBORSJZWENU-RYUDHWBXSA-N 0 0 344.371 3.080 10 5 EGBERN CC[C@@]1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833642 460344723 /nfs/dbraw/zinc/34/47/23/460344723.db2.gz WDQHYDUMQDQCDD-KRWDZBQOSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1(F)F ZINC000599835047 460344730 /nfs/dbraw/zinc/34/47/30/460344730.db2.gz SNLMHXKYHIWYCY-AWEZNQCLSA-N 0 0 336.298 3.310 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCCOC1 ZINC000599833573 460344894 /nfs/dbraw/zinc/34/48/94/460344894.db2.gz UMQCJENSSKPLLE-NEPJUHHUSA-N 0 0 344.371 3.080 10 5 EGBERN CCSCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836735 460345687 /nfs/dbraw/zinc/34/56/87/460345687.db2.gz WUVKSVLZZQONFO-UHFFFAOYSA-N 0 0 334.401 3.408 10 5 EGBERN CO[C@@H]([C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599840902 460346776 /nfs/dbraw/zinc/34/67/76/460346776.db2.gz VEZIJCCLWYHQNC-HWPZZCPQSA-N 0 0 344.371 3.078 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000619419842 460350779 /nfs/dbraw/zinc/35/07/79/460350779.db2.gz MZAPFHUKQVOELI-GFCCVEGCSA-N 0 0 335.379 3.015 10 5 EGBERN O=C(c1ccc2c(c1)CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484933 460374802 /nfs/dbraw/zinc/37/48/02/460374802.db2.gz PAXRKXXGSHUMIC-UHFFFAOYSA-N 0 0 337.379 3.067 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccccc1C ZINC000600064051 460375057 /nfs/dbraw/zinc/37/50/57/460375057.db2.gz ZFWNMVXOMLNXKC-CYBMUJFWSA-N 0 0 343.383 3.489 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000611507083 460381731 /nfs/dbraw/zinc/38/17/31/460381731.db2.gz XOCNETNGKHIPBI-NHCYSSNCSA-N 0 0 344.770 3.222 10 5 EGBERN Nc1cc(N2CCC(c3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525539 460387757 /nfs/dbraw/zinc/38/77/57/460387757.db2.gz ZBZRWAJWRKJUHD-UHFFFAOYSA-N 0 0 327.384 3.053 10 5 EGBERN Nc1cc(N2CCC[C@@H]2CCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525808 460388493 /nfs/dbraw/zinc/38/84/93/460388493.db2.gz TZVZJWHPPMOTKZ-MRXNPFEDSA-N 0 0 341.411 3.271 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3nccs3)CC2)n1 ZINC000619589570 460392343 /nfs/dbraw/zinc/39/23/43/460392343.db2.gz NQALPXGTDBMYAA-UHFFFAOYSA-N 0 0 333.417 3.144 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(CC(F)(F)F)C1 ZINC000619638194 460400765 /nfs/dbraw/zinc/40/07/65/460400765.db2.gz RFVZDZRWVLEVIH-UHFFFAOYSA-N 0 0 347.293 3.410 10 5 EGBERN CC1(C)CCC[C@H]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600160112 460412099 /nfs/dbraw/zinc/41/20/99/460412099.db2.gz RDQUKJVEZUGQCL-LBPRGKRZSA-N 0 0 348.399 3.312 10 5 EGBERN O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618322 460416763 /nfs/dbraw/zinc/41/67/63/460416763.db2.gz SEVNTCHTGMASFD-MRVPVSSYSA-N 0 0 336.241 3.114 10 5 EGBERN CCC[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OCC ZINC000600174778 460420530 /nfs/dbraw/zinc/42/05/30/460420530.db2.gz NWCRSZXMGBSYCQ-LBPRGKRZSA-N 0 0 328.796 3.492 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000600174937 460421000 /nfs/dbraw/zinc/42/10/00/460421000.db2.gz ZFNVLWDRHMRXOB-ZDUSSCGKSA-N 0 0 334.416 3.439 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC(C4CCOCC4)CC3)c2c1 ZINC000611712124 460436835 /nfs/dbraw/zinc/43/68/35/460436835.db2.gz GCXUHQSNLADHGJ-UHFFFAOYSA-N 0 0 342.399 3.181 10 5 EGBERN COc1ccc(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000604549449 460444861 /nfs/dbraw/zinc/44/48/61/460444861.db2.gz NGFBTVCRRFCQAT-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000600267955 460461281 /nfs/dbraw/zinc/46/12/81/460461281.db2.gz KMYCNQKAOFVDFS-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN Cc1sc(C(=O)NCC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000600309285 460470031 /nfs/dbraw/zinc/47/00/31/460470031.db2.gz GMVVMMVUUQGFRT-UHFFFAOYSA-N 0 0 333.413 3.376 10 5 EGBERN Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000600307676 460470242 /nfs/dbraw/zinc/47/02/42/460470242.db2.gz HIBPTPTWHCCDNG-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000600379575 460486679 /nfs/dbraw/zinc/48/66/79/460486679.db2.gz GTJRNMADULYJFO-UHFFFAOYSA-N 0 0 334.344 3.100 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000616161823 460487774 /nfs/dbraw/zinc/48/77/74/460487774.db2.gz MJBNRJCYETYTDJ-UHFFFAOYSA-N 0 0 341.367 3.437 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000600392496 460489054 /nfs/dbraw/zinc/48/90/54/460489054.db2.gz HHQLENCMHRXWTL-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600396559 460489214 /nfs/dbraw/zinc/48/92/14/460489214.db2.gz ZLFIETRJBGBXDN-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600441950 460495830 /nfs/dbraw/zinc/49/58/30/460495830.db2.gz CPBHCSMLBNXWCR-YDEXJTGXSA-N 0 0 346.305 3.155 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](c2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC000600474270 460500774 /nfs/dbraw/zinc/50/07/74/460500774.db2.gz KERSPQHRJDSNRT-AWEZNQCLSA-N 0 0 330.388 3.072 10 5 EGBERN O=[N+]([O-])c1nn(C2CC(Oc3ccccc3)C2)cc1Br ZINC000600520308 460512116 /nfs/dbraw/zinc/51/21/16/460512116.db2.gz INZSFEYGXAIVFZ-UHFFFAOYSA-N 0 0 338.161 3.336 10 5 EGBERN COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000612085701 460533698 /nfs/dbraw/zinc/53/36/98/460533698.db2.gz LTJKTHMULBHICA-HNNXBMFYSA-N 0 0 340.379 3.199 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000601150868 460733705 /nfs/dbraw/zinc/73/37/05/460733705.db2.gz GVERSKCYVHZIGV-QPUJVOFHSA-N 0 0 337.273 3.024 10 5 EGBERN COc1ccccc1O[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601163454 460737312 /nfs/dbraw/zinc/73/73/12/460737312.db2.gz LJLXNSNDEYTKCR-CYBMUJFWSA-N 0 0 347.346 3.185 10 5 EGBERN COCCCOc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601165218 460737663 /nfs/dbraw/zinc/73/76/63/460737663.db2.gz KNEPGCIIHFLVMI-UHFFFAOYSA-N 0 0 335.335 3.156 10 5 EGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ncccc1F ZINC000601173256 460740415 /nfs/dbraw/zinc/74/04/15/460740415.db2.gz URLDXBJBCIVNNN-ZCFIWIBFSA-N 0 0 333.245 3.054 10 5 EGBERN Cc1csc(CC2(O)CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000601194214 460747531 /nfs/dbraw/zinc/74/75/31/460747531.db2.gz GMCUFGVDNGAEIH-UHFFFAOYSA-N 0 0 347.440 3.242 10 5 EGBERN CO[C@@](C)(CNc1ncc(F)cc1[N+](=O)[O-])COCc1ccccc1 ZINC000601194255 460747716 /nfs/dbraw/zinc/74/77/16/460747716.db2.gz WHWSKOVLLDBWMG-KRWDZBQOSA-N 0 0 349.362 3.163 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC(C)(C)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000601211267 460751971 /nfs/dbraw/zinc/75/19/71/460751971.db2.gz YELHAMMERLNCAT-CQSZACIVSA-N 0 0 345.355 3.265 10 5 EGBERN CCn1nc(C)c(CN(C)c2ccc([N+](=O)[O-])c(C(C)=O)c2)c1C ZINC000601210310 460752225 /nfs/dbraw/zinc/75/22/25/460752225.db2.gz PAJSISAEKOIHRK-UHFFFAOYSA-N 0 0 330.388 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)nc1 ZINC000612869043 460758158 /nfs/dbraw/zinc/75/81/58/460758158.db2.gz IANSCXNCIJCKSQ-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2cnncc21 ZINC000617146595 460758932 /nfs/dbraw/zinc/75/89/32/460758932.db2.gz FGWLHUFPKCZVKP-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN CNC(=O)c1ccc(NCC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC000601241848 460763978 /nfs/dbraw/zinc/76/39/78/460763978.db2.gz KIXNLKLGNYYZFL-MRXNPFEDSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccs2)c([N+](=O)[O-])s1 ZINC000601308662 460783355 /nfs/dbraw/zinc/78/33/55/460783355.db2.gz BRFMIYLOHVDDBZ-VIFPVBQESA-N 0 0 346.455 3.408 10 5 EGBERN O=C1COc2cccc(N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2N1 ZINC000601320624 460788065 /nfs/dbraw/zinc/78/80/65/460788065.db2.gz HMCZBUZKCQFDBP-AWEZNQCLSA-N 0 0 339.351 3.415 10 5 EGBERN CCOCC(C)(C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601582275 460837261 /nfs/dbraw/zinc/83/72/61/460837261.db2.gz JCJVQWFYQUJQME-UHFFFAOYSA-N 0 0 334.416 3.195 10 5 EGBERN CCC[C@@]1(CO)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601586555 460839496 /nfs/dbraw/zinc/83/94/96/460839496.db2.gz ZAGWDKYIIOQXEF-GOSISDBHSA-N 0 0 346.427 3.028 10 5 EGBERN O=C(N1CCC[C@@H](CCO)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601645423 460854807 /nfs/dbraw/zinc/85/48/07/460854807.db2.gz WAZKEGLGIISSLN-OAHLLOKOSA-N 0 0 346.427 3.028 10 5 EGBERN CC[C@@H](NC(=O)c1cncc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000613185510 460856190 /nfs/dbraw/zinc/85/61/90/460856190.db2.gz RFRJUFUYILTOFY-MRXNPFEDSA-N 0 0 329.356 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CC)c2ccc(F)cc2)n1 ZINC000601701612 460875307 /nfs/dbraw/zinc/87/53/07/460875307.db2.gz VXDODPMHYKHKOQ-MRXNPFEDSA-N 0 0 334.351 3.006 10 5 EGBERN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 ZINC000601700953 460875690 /nfs/dbraw/zinc/87/56/90/460875690.db2.gz SPSXDQDGLLXUEE-MRXNPFEDSA-N 0 0 330.340 3.176 10 5 EGBERN Cc1nn(CCC(=O)N2CC(C)(C)[C@H]2c2ccco2)c(C)c1[N+](=O)[O-] ZINC000601699638 460875880 /nfs/dbraw/zinc/87/58/80/460875880.db2.gz POZLUEWJTKFNGK-MRXNPFEDSA-N 0 0 346.387 3.001 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)[C@@H](C)C1CC1 ZINC000601714048 460881076 /nfs/dbraw/zinc/88/10/76/460881076.db2.gz DPOXSASJBSDHEB-ZDUSSCGKSA-N 0 0 342.399 3.322 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000601762875 460892168 /nfs/dbraw/zinc/89/21/68/460892168.db2.gz ANMOEWVPPKOGOB-GYSYKLTISA-N 0 0 338.429 3.391 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601771300 460894323 /nfs/dbraw/zinc/89/43/23/460894323.db2.gz SDDNOIWDMSLXDY-JTNHKYCSSA-N 0 0 338.429 3.393 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](CC(=O)OC(C)C)C2)n1 ZINC000613284397 460895633 /nfs/dbraw/zinc/89/56/33/460895633.db2.gz GOWRSIKYELQNTQ-CQSZACIVSA-N 0 0 335.404 3.165 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000618024702 461065238 /nfs/dbraw/zinc/06/52/38/461065238.db2.gz VTBGUMWPFVUARA-SECBINFHSA-N 0 0 331.294 3.051 10 5 EGBERN COC(=O)c1coc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000184288765 534312780 /nfs/dbraw/zinc/31/27/80/534312780.db2.gz ATJDCDYZSYZTOU-UHFFFAOYSA-N 0 0 346.339 3.025 10 5 EGBERN Cc1ccc2cccc(Oc3ncnc(-n4ccnc4)c3[N+](=O)[O-])c2n1 ZINC000040618736 518190110 /nfs/dbraw/zinc/19/01/10/518190110.db2.gz LQPGBLRVXUUIDF-UHFFFAOYSA-N 0 0 348.322 3.219 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000187058525 534605754 /nfs/dbraw/zinc/60/57/54/534605754.db2.gz WEYDCFCVUKYORO-OAHLLOKOSA-N 0 0 331.397 3.266 10 5 EGBERN CCOC(=O)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000187486763 528777360 /nfs/dbraw/zinc/77/73/60/528777360.db2.gz RSQGPBJEOADMKP-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN CC[C@H](NC(=O)c1ccnc2ccncc21)c1cccc([N+](=O)[O-])c1 ZINC000187169408 535888013 /nfs/dbraw/zinc/88/80/13/535888013.db2.gz OHPQMYRELROBFI-INIZCTEOSA-N 0 0 336.351 3.419 10 5 EGBERN COc1ccccc1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000264272954 537049665 /nfs/dbraw/zinc/04/96/65/537049665.db2.gz NUPUWJGMBZUWSM-GFCCVEGCSA-N 0 0 335.381 3.279 10 5 EGBERN O=C(NCc1cc(F)ccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104562439 546694904 /nfs/dbraw/zinc/69/49/04/546694904.db2.gz SZSDLTITIIKDIN-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN CCn1c(COC(=O)c2cccc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000727503218 574672197 /nfs/dbraw/zinc/67/21/97/574672197.db2.gz NLMHHOVBEFNQRC-UHFFFAOYSA-N 0 0 343.314 3.461 10 5 EGBERN CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000727710141 574686848 /nfs/dbraw/zinc/68/68/48/574686848.db2.gz GFVVZMVSWYFVPX-UHFFFAOYSA-N 0 0 332.306 3.112 10 5 EGBERN O=C(OC[C@H]1CCCS1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751177902 574751534 /nfs/dbraw/zinc/75/15/34/574751534.db2.gz WRQXUANMNJETIL-SECBINFHSA-N 0 0 346.202 3.410 10 5 EGBERN CCn1nc(C)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000729120653 574815905 /nfs/dbraw/zinc/81/59/05/574815905.db2.gz YYUNKAJFQXCMDK-UHFFFAOYSA-N 0 0 347.371 3.264 10 5 EGBERN CC[C@H](CCOC)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000754582156 575061074 /nfs/dbraw/zinc/06/10/74/575061074.db2.gz GZJBAVZXZQMFOK-WCQYABFASA-N 0 0 327.402 3.434 10 5 EGBERN COc1ccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000731456658 575074281 /nfs/dbraw/zinc/07/42/81/575074281.db2.gz QNRFBKXSOXEJTC-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CCCCc1noc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000731515777 575078752 /nfs/dbraw/zinc/07/87/52/575078752.db2.gz HOKUMZFLCFBKLK-VIFPVBQESA-N 0 0 337.307 3.378 10 5 EGBERN COc1ccc(CC(=O)OCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000732520338 575274310 /nfs/dbraw/zinc/27/43/10/575274310.db2.gz DNGPVGQPSDMMRS-UHFFFAOYSA-N 0 0 333.315 3.071 10 5 EGBERN COc1cccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000732983077 575298945 /nfs/dbraw/zinc/29/89/45/575298945.db2.gz WZHUFBXMZGPNNZ-SNVBAGLBSA-N 0 0 328.328 3.183 10 5 EGBERN CC[C@H]1CCC[C@@H](OC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000734722187 575543125 /nfs/dbraw/zinc/54/31/25/575543125.db2.gz JSGWCYLPBVEXLX-GXTWGEPZSA-N 0 0 337.372 3.494 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000735154943 575614725 /nfs/dbraw/zinc/61/47/25/575614725.db2.gz OKUAKIZCWMYXFA-UHFFFAOYSA-N 0 0 329.337 3.199 10 5 EGBERN COc1cc(C(=O)OCC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000739336057 576398362 /nfs/dbraw/zinc/39/83/62/576398362.db2.gz MZKRNJAEMYLGED-UHFFFAOYSA-N 0 0 349.261 3.111 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC2(CC2)c2ccccc21 ZINC000739611031 576434143 /nfs/dbraw/zinc/43/41/43/576434143.db2.gz SVLYIEAVRHVUER-UHFFFAOYSA-N 0 0 348.362 3.023 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N(C[C@H]1CCCO1)C1CCCC1 ZINC000741988928 576739889 /nfs/dbraw/zinc/73/98/89/576739889.db2.gz FTQISCWRQBFFDO-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1cccc(C2(O)CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1C ZINC000742416343 576781679 /nfs/dbraw/zinc/78/16/79/576781679.db2.gz WGRBHZSUVYXIJW-UHFFFAOYSA-N 0 0 341.411 3.403 10 5 EGBERN CCOc1ccc(C(=O)NCc2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000742723548 576794198 /nfs/dbraw/zinc/79/41/98/576794198.db2.gz AUMMWAFYSQXSSO-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)c(N)c([N+](=O)[O-])c1 ZINC000743306291 576805381 /nfs/dbraw/zinc/80/53/81/576805381.db2.gz IPZJESBEVWNYBO-UHFFFAOYSA-N 0 0 346.290 3.213 10 5 EGBERN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cccn2)c1 ZINC000045761217 1291516439 /nfs/dbraw/zinc/51/64/39/1291516439.db2.gz CRNGTNFHYKQSQI-HJWRWDBZSA-N 0 0 334.335 3.432 10 5 EGBERN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC000063913606 1292029682 /nfs/dbraw/zinc/02/96/82/1292029682.db2.gz ULNGDINZZHDRPS-FNORWQNLSA-N 0 0 333.344 3.331 10 5 EGBERN COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000102418316 1292976552 /nfs/dbraw/zinc/97/65/52/1292976552.db2.gz FXIHIKCAFYIEOD-OAHLLOKOSA-N 0 0 347.758 3.453 10 5 EGBERN O=C(NCCCC1CC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000127946544 1293578628 /nfs/dbraw/zinc/57/86/28/1293578628.db2.gz ZGHRHJBHYSJLKS-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cccc3cccnc32)c1 ZINC000133895614 1293756367 /nfs/dbraw/zinc/75/63/67/1293756367.db2.gz GJYDZEQRJXLDOM-UHFFFAOYSA-N 0 0 344.348 3.052 10 5 EGBERN CSc1ccc(OS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151325357 1293919623 /nfs/dbraw/zinc/91/96/23/1293919623.db2.gz DLVJQEONWUQDOS-UHFFFAOYSA-N 0 0 339.394 3.226 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178881340 1294760989 /nfs/dbraw/zinc/76/09/89/1294760989.db2.gz VZQXNJBIMRRMOP-UHFFFAOYSA-N 0 0 346.284 3.118 10 5 EGBERN Cc1ccc(COC(=O)c2cccn(C(C)(C)C)c2=O)cc1[N+](=O)[O-] ZINC000869979483 1295572508 /nfs/dbraw/zinc/57/25/08/1295572508.db2.gz UFMOAQTUACMSDX-UHFFFAOYSA-N 0 0 344.367 3.177 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)/C=C/COC1CCOCC1 ZINC000870037716 1295609410 /nfs/dbraw/zinc/60/94/10/1295609410.db2.gz DDVXRZDDNIMUCW-XGACYXMMSA-N 0 0 349.383 3.259 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cn1cc(C2CC2)cn1 ZINC000870700261 1296027680 /nfs/dbraw/zinc/02/76/80/1296027680.db2.gz FXCNYJUOXOPDBR-UHFFFAOYSA-N 0 0 329.356 3.029 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000870727072 1296045958 /nfs/dbraw/zinc/04/59/58/1296045958.db2.gz ZSVAJBDESWGWEY-ZYHUDNBSSA-N 0 0 326.780 3.196 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870729923 1296047793 /nfs/dbraw/zinc/04/77/93/1296047793.db2.gz DPMDBOLUXXPYNV-WFASDCNBSA-N 0 0 328.368 3.388 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870729921 1296047906 /nfs/dbraw/zinc/04/79/06/1296047906.db2.gz DPMDBOLUXXPYNV-IUODEOHRSA-N 0 0 328.368 3.388 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870731394 1296048896 /nfs/dbraw/zinc/04/88/96/1296048896.db2.gz MQEWZIXNIQTNIR-BBRMVZONSA-N 0 0 332.400 3.042 10 5 EGBERN CC1CCC(NC(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000208822251 1296097477 /nfs/dbraw/zinc/09/74/77/1296097477.db2.gz IMEGRFHBDHCZQH-DAXSKMNVSA-N 0 0 332.356 3.032 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(C(F)F)c1 ZINC000870827585 1296106488 /nfs/dbraw/zinc/10/64/88/1296106488.db2.gz BCVXMIGAISVVHM-UHFFFAOYSA-N 0 0 337.282 3.289 10 5 EGBERN CC(C)(C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870827584 1296106680 /nfs/dbraw/zinc/10/66/80/1296106680.db2.gz BBRQXSQLJDWQDM-UHFFFAOYSA-N 0 0 329.356 3.016 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871123160 1296235336 /nfs/dbraw/zinc/23/53/36/1296235336.db2.gz NIARLWVQMRUSOX-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871191984 1296264991 /nfs/dbraw/zinc/26/49/91/1296264991.db2.gz ACDFCQGSFMAKHC-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000871296863 1296326531 /nfs/dbraw/zinc/32/65/31/1296326531.db2.gz DYKBCZDZZFNJNW-WBVHZDCISA-N 0 0 332.400 3.092 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000871299822 1296329655 /nfs/dbraw/zinc/32/96/55/1296329655.db2.gz BDIJEWCSIVPNGI-SJCJKPOMSA-N 0 0 343.383 3.011 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000871335870 1296358728 /nfs/dbraw/zinc/35/87/28/1296358728.db2.gz NWVTWDSPWKEMFT-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CSC2)C1 ZINC000871507163 1296419297 /nfs/dbraw/zinc/41/92/97/1296419297.db2.gz YJXKWPINWQPHLI-CYBMUJFWSA-N 0 0 334.441 3.175 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OCc2nccn2CC(F)F)cc1F ZINC000871671088 1296473150 /nfs/dbraw/zinc/47/31/50/1296473150.db2.gz KEQFVUJWDSXAIC-UHFFFAOYSA-N 0 0 335.669 3.428 10 5 EGBERN C[C@@H](SCc1cn(C[C@H]2CCOC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000871715060 1296497707 /nfs/dbraw/zinc/49/77/07/1296497707.db2.gz ACIRXDYEBYVVRX-CHWSQXEVSA-N 0 0 348.428 3.217 10 5 EGBERN COC(=O)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1C ZINC000871920915 1296612056 /nfs/dbraw/zinc/61/20/56/1296612056.db2.gz KMDHXLNNIXSARJ-QGZVFWFLSA-N 0 0 328.368 3.216 10 5 EGBERN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048787 1296699580 /nfs/dbraw/zinc/69/95/80/1296699580.db2.gz MHKHFDZASYTJQT-BSNNYGBQSA-N 0 0 336.388 3.322 10 5 EGBERN C[C@H](NCc1nccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078219 1296721050 /nfs/dbraw/zinc/72/10/50/1296721050.db2.gz GKBUMXAMVMSCKN-QMMMGPOBSA-N 0 0 344.268 3.394 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCCc2cccnc21 ZINC000872297361 1296903836 /nfs/dbraw/zinc/90/38/36/1296903836.db2.gz LVAJFUIWBYVIFJ-UHFFFAOYSA-N 0 0 341.367 3.128 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CCOC2(CCCC2)C1 ZINC000873578062 1297603238 /nfs/dbraw/zinc/60/32/38/1297603238.db2.gz GGRAHNOEUIIZGI-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000875625299 1298412274 /nfs/dbraw/zinc/41/22/74/1298412274.db2.gz HXSUWHFFTMMXDK-XJKSGUPXSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1ccc(Br)c(NCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000876872350 1299045508 /nfs/dbraw/zinc/04/55/08/1299045508.db2.gz BHVDFGFITFELDT-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000882197173 1301874481 /nfs/dbraw/zinc/87/44/81/1301874481.db2.gz HZNWHRMHYHZWPZ-IBGZPJMESA-N 0 0 338.363 3.433 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3nccs3)C2)c1C ZINC000893517230 1305945462 /nfs/dbraw/zinc/94/54/62/1305945462.db2.gz DWDVZQIKMBZZLI-GFCCVEGCSA-N 0 0 331.397 3.298 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000893531517 1305953884 /nfs/dbraw/zinc/95/38/84/1305953884.db2.gz JTYHFCXOUULMRA-AWEZNQCLSA-N 0 0 345.355 3.189 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1cccc(C)c1C ZINC000893705229 1306040737 /nfs/dbraw/zinc/04/07/37/1306040737.db2.gz QXIVYTVXPDHWFS-ZDUSSCGKSA-N 0 0 331.372 3.411 10 5 EGBERN CC(C)(C(=O)O[C@@H]1c2ccccc2CC[C@H]1F)n1cc([N+](=O)[O-])cn1 ZINC000893720746 1306048340 /nfs/dbraw/zinc/04/83/40/1306048340.db2.gz AADMGFBCRCRLNJ-HUUCEWRRSA-N 0 0 347.346 3.095 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893862049 1306103193 /nfs/dbraw/zinc/10/31/93/1306103193.db2.gz VSUAQOQDODQPFG-ZWNOBZJWSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC2(CCC2)O1 ZINC000893911265 1306125504 /nfs/dbraw/zinc/12/55/04/1306125504.db2.gz NINUSLADZAYXDQ-ZDUSSCGKSA-N 0 0 338.791 3.009 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(F)F ZINC000894060048 1306195754 /nfs/dbraw/zinc/19/57/54/1306195754.db2.gz UUWIALRKALBHJF-LLVKDONJSA-N 0 0 341.358 3.215 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895208436 1309241066 /nfs/dbraw/zinc/24/10/66/1309241066.db2.gz RWMWTWOIODREJN-OLUVUFQESA-N 0 0 333.775 3.004 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000895446017 1309340968 /nfs/dbraw/zinc/34/09/68/1309340968.db2.gz NXBHLRCLJYOHBQ-MFKMUULPSA-N 0 0 332.278 3.319 10 5 EGBERN CC(=O)c1cc(N[C@@H](CO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000895680713 1309461382 /nfs/dbraw/zinc/46/13/82/1309461382.db2.gz FXWDGOGKTASIHB-MRXNPFEDSA-N 0 0 328.368 3.203 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896086908 1309693720 /nfs/dbraw/zinc/69/37/20/1309693720.db2.gz CPWQPCMNFRVUJH-XLDPMVHQSA-N 0 0 333.171 3.117 10 5 EGBERN CC(C)(CCc1noc(C[C@H]2CCc3sccc3C2=O)n1)[N+](=O)[O-] ZINC000896315946 1309800890 /nfs/dbraw/zinc/80/08/90/1309800890.db2.gz WGERVDUOAXQONE-SNVBAGLBSA-N 0 0 349.412 3.107 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898411805 1310723273 /nfs/dbraw/zinc/72/32/73/1310723273.db2.gz UDLXLPBFSNZKLY-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN CC1(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC(F)(F)C1 ZINC000899197401 1310974791 /nfs/dbraw/zinc/97/47/91/1310974791.db2.gz IZVQCTGSNJKOKK-UHFFFAOYSA-N 0 0 335.310 3.248 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@H]1CC1CC1 ZINC000929212725 1328538527 /nfs/dbraw/zinc/53/85/27/1328538527.db2.gz SFGRUNJXQHVHSP-GFCCVEGCSA-N 0 0 339.779 3.281 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000857599233 1328559594 /nfs/dbraw/zinc/55/95/94/1328559594.db2.gz AHWZDJZYGWPIBY-NSHDSACASA-N 0 0 343.261 3.199 10 5 EGBERN COCC1(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CCCCC1 ZINC000857602814 1328560906 /nfs/dbraw/zinc/56/09/06/1328560906.db2.gz NFHACJXBCNIDNJ-UHFFFAOYSA-N 0 0 332.400 3.389 10 5 EGBERN O=[N+]([O-])c1ccc(OC2CCN(Cc3c(F)cncc3F)CC2)cc1 ZINC000929748588 1328686554 /nfs/dbraw/zinc/68/65/54/1328686554.db2.gz KNPZUYKYTXMOFH-UHFFFAOYSA-N 0 0 349.337 3.311 10 5 EGBERN CC(C)n1ncc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1Cl ZINC000858404213 1328754060 /nfs/dbraw/zinc/75/40/60/1328754060.db2.gz OSOZLOFRXSWCJM-UHFFFAOYSA-N 0 0 336.779 3.298 10 5 EGBERN COCc1ccccc1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929997393 1328760317 /nfs/dbraw/zinc/76/03/17/1328760317.db2.gz IVDSBYNYTQXWNX-UHFFFAOYSA-N 0 0 346.358 3.129 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000930099462 1328784648 /nfs/dbraw/zinc/78/46/48/1328784648.db2.gz LAJBVXLVVGSDIW-FZMZJTMJSA-N 0 0 330.306 3.063 10 5 EGBERN COCc1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000930112046 1328788031 /nfs/dbraw/zinc/78/80/31/1328788031.db2.gz MHWVBCOYHGEDIY-UHFFFAOYSA-N 0 0 346.358 3.129 10 5 EGBERN CC(C)c1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)no1 ZINC000913384755 1319020129 /nfs/dbraw/zinc/02/01/29/1319020129.db2.gz DWUJEGFVMBFYQK-UHFFFAOYSA-N 0 0 341.726 3.429 10 5 EGBERN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385138 1319020150 /nfs/dbraw/zinc/02/01/50/1319020150.db2.gz QSRZYUIBQNYGAU-KWQFWETISA-N 0 0 342.754 3.009 10 5 EGBERN C[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)n1cccc1 ZINC000913385254 1319020335 /nfs/dbraw/zinc/02/03/35/1319020335.db2.gz UXUFAUWWNJBQLV-JTQLQIEISA-N 0 0 339.754 3.456 10 5 EGBERN CCO[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000913386771 1319021530 /nfs/dbraw/zinc/02/15/30/1319021530.db2.gz IETCGVCYOAERHA-ZDUSSCGKSA-N 0 0 332.759 3.065 10 5 EGBERN CC(C)c1ccc(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000913587384 1319064337 /nfs/dbraw/zinc/06/43/37/1319064337.db2.gz PSAVCMFBRRITFQ-LLVKDONJSA-N 0 0 328.372 3.201 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913667460 1319092497 /nfs/dbraw/zinc/09/24/97/1319092497.db2.gz FLBWGQZWWVWIHA-WCBMZHEXSA-N 0 0 330.743 3.027 10 5 EGBERN CC1(C)CO[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913795686 1319128407 /nfs/dbraw/zinc/12/84/07/1319128407.db2.gz GAXDNXDLCXPTLH-ZDUSSCGKSA-N 0 0 340.807 3.112 10 5 EGBERN C[C@]1(Br)C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000858649417 1328817240 /nfs/dbraw/zinc/81/72/40/1328817240.db2.gz VXOISVPXAKMSKX-RNCFNFMXSA-N 0 0 338.161 3.210 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC2(C)CC(F)(F)C2)c1F ZINC000914355095 1319306173 /nfs/dbraw/zinc/30/61/73/1319306173.db2.gz YZPSUJOYKZFNOE-UHFFFAOYSA-N 0 0 334.269 3.347 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000858734055 1328845376 /nfs/dbraw/zinc/84/53/76/1328845376.db2.gz MHHZMMRYGXFEOI-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000916772582 1319706413 /nfs/dbraw/zinc/70/64/13/1319706413.db2.gz HMPZYYCSQWVQDT-SMDDNHRTSA-N 0 0 341.289 3.282 10 5 EGBERN CCC(F)(F)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000858745540 1328850589 /nfs/dbraw/zinc/85/05/89/1328850589.db2.gz ZAEQCVSWBYXBQU-UHFFFAOYSA-N 0 0 344.286 3.048 10 5 EGBERN O=C(O[C@@H]1CCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917521330 1319826147 /nfs/dbraw/zinc/82/61/47/1319826147.db2.gz FURZPYUOUKEJPT-CQSZACIVSA-N 0 0 327.292 3.168 10 5 EGBERN O=c1c2ccccc2n(C[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000917758970 1319867277 /nfs/dbraw/zinc/86/72/77/1319867277.db2.gz CICZFTHIPOPADA-NOZJJQNGSA-N 0 0 342.273 3.020 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N(C[C@H]1CCOC1)C1CC1 ZINC000858768173 1328856411 /nfs/dbraw/zinc/85/64/11/1328856411.db2.gz IGZKAXKUVBWROZ-CYBMUJFWSA-N 0 0 340.379 3.389 10 5 EGBERN O=[N+]([O-])c1cn(C[C@@H]2CCC3(CCC3)CO2)nc1-c1ccc(F)cn1 ZINC000917788866 1319872151 /nfs/dbraw/zinc/87/21/51/1319872151.db2.gz GYRZJTFGKPQTHV-ZDUSSCGKSA-N 0 0 346.362 3.342 10 5 EGBERN O=[N+]([O-])c1cn(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)nc1-c1ccc(F)cn1 ZINC000917789295 1319872369 /nfs/dbraw/zinc/87/23/69/1319872369.db2.gz MTVOAVHUIQSHEK-GUDFOSOFSA-N 0 0 338.289 3.284 10 5 EGBERN CC(C)CC(=O)OCOc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC000917928939 1319889748 /nfs/dbraw/zinc/88/97/48/1319889748.db2.gz MQQOSSBVPKCRNP-UHFFFAOYSA-N 0 0 325.214 3.077 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)c1 ZINC000858794251 1328862822 /nfs/dbraw/zinc/86/28/22/1328862822.db2.gz CFQZNHNOZHZXRN-ULQSSITMSA-N 0 0 349.239 3.391 10 5 EGBERN C/C=C/CNc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000858800575 1328863529 /nfs/dbraw/zinc/86/35/29/1328863529.db2.gz RENOAYWDAZBBAQ-ONEGZZNKSA-N 0 0 346.137 3.262 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)ccc1[N+](=O)[O-] ZINC000930732627 1328953205 /nfs/dbraw/zinc/95/32/05/1328953205.db2.gz PJWSIPGWFUSTPS-CYBMUJFWSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)c1ccc(F)cc1C ZINC000930875910 1328994387 /nfs/dbraw/zinc/99/43/87/1328994387.db2.gz PFCMGEUQXPGVGQ-LLVKDONJSA-N 0 0 332.335 3.050 10 5 EGBERN O=C(Cc1coc2cc(O)ccc12)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000918827249 1322000594 /nfs/dbraw/zinc/00/05/94/1322000594.db2.gz VKLZDKIYUSKMMW-UHFFFAOYSA-N 0 0 345.282 3.472 10 5 EGBERN Cn1c(C(=O)OCCCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000920151565 1322144535 /nfs/dbraw/zinc/14/45/35/1322144535.db2.gz JUOQTQIFMWZBRP-UHFFFAOYSA-N 0 0 338.747 3.213 10 5 EGBERN C[C@H]1c2sccc2CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000921501968 1322329907 /nfs/dbraw/zinc/32/99/07/1322329907.db2.gz JYUMUXABYXZDFQ-QMMMGPOBSA-N 0 0 335.360 3.137 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000921807375 1322401700 /nfs/dbraw/zinc/40/17/00/1322401700.db2.gz PJPLFAXPVGHTSD-RVSPLBMKSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@H](C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000922653514 1322581356 /nfs/dbraw/zinc/58/13/56/1322581356.db2.gz SOVCOFDAAVEOAN-TVYUQYBPSA-N 0 0 347.289 3.351 10 5 EGBERN CC(C)n1cccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859616534 1329035909 /nfs/dbraw/zinc/03/59/09/1329035909.db2.gz QENRXUGMZFLGKA-UHFFFAOYSA-N 0 0 334.303 3.156 10 5 EGBERN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859637223 1329041176 /nfs/dbraw/zinc/04/11/76/1329041176.db2.gz JVQIIELWCPFYON-SGTLLEGYSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000923331453 1322734780 /nfs/dbraw/zinc/73/47/80/1322734780.db2.gz LDCPGDMVGJSEIT-LLVKDONJSA-N 0 0 332.356 3.045 10 5 EGBERN Cc1nc(Cc2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)cs1 ZINC000923782262 1322807626 /nfs/dbraw/zinc/80/76/26/1322807626.db2.gz MFBCDACUQSDCGF-UHFFFAOYSA-N 0 0 348.359 3.258 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000923885610 1322835976 /nfs/dbraw/zinc/83/59/76/1322835976.db2.gz GKTBYUKNQPXHTL-UKRRQHHQSA-N 0 0 329.356 3.453 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1C[C@@]12CCOC2 ZINC000923961156 1322855747 /nfs/dbraw/zinc/85/57/47/1322855747.db2.gz HLIJQNSDTLVTJB-MEDUHNTESA-N 0 0 339.775 3.151 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccccc1 ZINC000923960235 1322856193 /nfs/dbraw/zinc/85/61/93/1322856193.db2.gz RAHTYYXNCAOFDA-YVEFUNNKSA-N 0 0 325.368 3.400 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC1CCC(=O)CC1 ZINC000923966268 1322858760 /nfs/dbraw/zinc/85/87/60/1322858760.db2.gz FROISKVURFODRQ-UHFFFAOYSA-N 0 0 339.775 3.483 10 5 EGBERN C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000923968153 1322859146 /nfs/dbraw/zinc/85/91/46/1322859146.db2.gz UVHQCTRVWOYIBD-FSPWUOQZSA-N 0 0 340.379 3.238 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000923983380 1322864667 /nfs/dbraw/zinc/86/46/67/1322864667.db2.gz PJPLFAXPVGHTSD-HACGYAERSA-N 0 0 347.415 3.160 10 5 EGBERN CC(C)OC(=O)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859672451 1329051000 /nfs/dbraw/zinc/05/10/00/1329051000.db2.gz FWXADLAFSBCNPW-GFCCVEGCSA-N 0 0 344.367 3.066 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000924134115 1322909715 /nfs/dbraw/zinc/90/97/15/1322909715.db2.gz MPKQRZIVESWMOE-VQIMIIECSA-N 0 0 346.427 3.269 10 5 EGBERN COc1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1[N+](=O)[O-] ZINC000924841644 1323183758 /nfs/dbraw/zinc/18/37/58/1323183758.db2.gz KQVDNWJHFUBPIA-ZDUSSCGKSA-N 0 0 333.775 3.429 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000924945375 1323223942 /nfs/dbraw/zinc/22/39/42/1323223942.db2.gz FRAAVJVGHDTKEP-UHFFFAOYSA-N 0 0 346.427 3.335 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297676 1329088270 /nfs/dbraw/zinc/08/82/70/1329088270.db2.gz NFNHSUHOJLCNAT-MFKMUULPSA-N 0 0 339.779 3.327 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H]2C(F)F)o1 ZINC000931423825 1329114662 /nfs/dbraw/zinc/11/46/62/1329114662.db2.gz DMLIIWVFBPUTGU-SECBINFHSA-N 0 0 344.705 3.138 10 5 EGBERN Cc1c(COC(=O)[C@@H]2C[C@]2(C)Br)cccc1[N+](=O)[O-] ZINC000860117671 1329150703 /nfs/dbraw/zinc/15/07/03/1329150703.db2.gz XDRUWUGPSIAXGZ-GWCFXTLKSA-N 0 0 328.162 3.120 10 5 EGBERN C[C@@]1(Br)C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860117228 1329150982 /nfs/dbraw/zinc/15/09/82/1329150982.db2.gz GASRQZKDBUCPDB-JOYOIKCWSA-N 0 0 348.580 3.465 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860119272 1329151455 /nfs/dbraw/zinc/15/14/55/1329151455.db2.gz UFMPEIHOEBBASX-SKDRFNHKSA-N 0 0 348.580 3.465 10 5 EGBERN Cc1noc(COC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000860148040 1329159114 /nfs/dbraw/zinc/15/91/14/1329159114.db2.gz XTTJGEGEKMWWHI-CHWSQXEVSA-N 0 0 334.303 3.267 10 5 EGBERN Cc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000860252580 1329183006 /nfs/dbraw/zinc/18/30/06/1329183006.db2.gz BGPXZIXZSVLPGR-OAHLLOKOSA-N 0 0 344.367 3.332 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259376 1329184132 /nfs/dbraw/zinc/18/41/32/1329184132.db2.gz DFVHOIKZBPSYDT-VXFNFUGZSA-N 0 0 327.768 3.182 10 5 EGBERN C[C@H](OC(=O)C12CC(C1)C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000860267985 1329185144 /nfs/dbraw/zinc/18/51/44/1329185144.db2.gz FJPYLJPNGYZJQH-CYWKSYIRSA-N 0 0 329.312 3.049 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925240268 1325092727 /nfs/dbraw/zinc/09/27/27/1325092727.db2.gz OPWXXWRXIMNFCU-MFKMUULPSA-N 0 0 343.330 3.069 10 5 EGBERN CSCCCCCCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000860606872 1329335468 /nfs/dbraw/zinc/33/54/68/1329335468.db2.gz YHKMKRAVCVZRMT-UHFFFAOYSA-N 0 0 337.445 3.188 10 5 EGBERN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860619106 1329336703 /nfs/dbraw/zinc/33/67/03/1329336703.db2.gz OUTZTVMZRLVODD-SJCJKPOMSA-N 0 0 328.368 3.124 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1O ZINC000860620892 1329336987 /nfs/dbraw/zinc/33/69/87/1329336987.db2.gz ZRINMQHMWSXPLC-AAEUAGOBSA-N 0 0 340.807 3.117 10 5 EGBERN CCO[C@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000860647896 1329339837 /nfs/dbraw/zinc/33/98/37/1329339837.db2.gz BUHDYUYRTVGQGJ-AWEZNQCLSA-N 0 0 325.386 3.045 10 5 EGBERN CCO[C@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000860648567 1329340327 /nfs/dbraw/zinc/34/03/27/1329340327.db2.gz RUYSUAXOCQQJBN-AWEZNQCLSA-N 0 0 327.402 3.291 10 5 EGBERN O=C(OCCC[N+](=O)[O-])[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000860917207 1329369959 /nfs/dbraw/zinc/36/99/59/1329369959.db2.gz HLESLBYQBOYZOR-SFHVURJKSA-N 0 0 340.379 3.000 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCO1 ZINC000927199924 1327916997 /nfs/dbraw/zinc/91/69/97/1327916997.db2.gz YBDVNWAUXFFYSS-SFHVURJKSA-N 0 0 347.415 3.228 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000927236911 1327924886 /nfs/dbraw/zinc/92/48/86/1327924886.db2.gz QNDLUGDTNFQRFL-NEPJUHHUSA-N 0 0 337.445 3.413 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927286407 1327956455 /nfs/dbraw/zinc/95/64/55/1327956455.db2.gz QBELDJRKEDBNMG-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCS[C@H](C(F)(F)F)C2)c1 ZINC000928139208 1328213097 /nfs/dbraw/zinc/21/30/97/1328213097.db2.gz SLCOQGUJFCRDIZ-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000928241719 1328250857 /nfs/dbraw/zinc/25/08/57/1328250857.db2.gz AZDTZPYOKOKICQ-NSHDSACASA-N 0 0 326.418 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1329429002 /nfs/dbraw/zinc/42/90/02/1329429002.db2.gz YVGWCIDDPLKJIF-NSHDSACASA-N 0 0 326.780 3.015 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H](O)C(C)C ZINC000861996623 1329454271 /nfs/dbraw/zinc/45/42/71/1329454271.db2.gz PJXRMNOMQNRAFX-IRXDYDNUSA-N 0 0 330.384 3.273 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000862141649 1329461737 /nfs/dbraw/zinc/46/17/37/1329461737.db2.gz ISDVVPLRKQBWNC-HIFRSBDPSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000862141650 1329461816 /nfs/dbraw/zinc/46/18/16/1329461816.db2.gz ISDVVPLRKQBWNC-UKRRQHHQSA-N 0 0 338.791 3.326 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C)C1=O ZINC000862182513 1329464514 /nfs/dbraw/zinc/46/45/14/1329464514.db2.gz ZANNNLAPTFBJDD-VXGBXAGGSA-N 0 0 326.352 3.045 10 5 EGBERN CCOC(=O)c1cccc(CNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000862284802 1329473868 /nfs/dbraw/zinc/47/38/68/1329473868.db2.gz 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O=[N+]([O-])c1cc(CO)c(N2CCO[C@H](C3CCCCC3)C2)cc1F ZINC000865677657 1329728327 /nfs/dbraw/zinc/72/83/27/1329728327.db2.gz GQSPIBFTLLLRKX-KRWDZBQOSA-N 0 0 338.379 3.012 10 5 EGBERN C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC2(CCCCC2)O1 ZINC000865919382 1329751729 /nfs/dbraw/zinc/75/17/29/1329751729.db2.gz WSZJHXPMVKNBSH-GFCCVEGCSA-N 0 0 338.379 3.154 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]1O ZINC000866001037 1329758071 /nfs/dbraw/zinc/75/80/71/1329758071.db2.gz ADDFAEFUMSCXKP-XHSDSOJGSA-N 0 0 327.384 3.129 10 5 EGBERN Cc1cc(NCc2ccc(C3(C)OCCO3)cc2)ncc1[N+](=O)[O-] ZINC000866007315 1329758503 /nfs/dbraw/zinc/75/85/03/1329758503.db2.gz MXTOZDMGAXROFP-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934216262 1329956421 /nfs/dbraw/zinc/95/64/21/1329956421.db2.gz GIZZHGURWZOZKH-SJKOYZFVSA-N 0 0 348.786 3.080 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1OC(F)F ZINC000866045288 1330059068 /nfs/dbraw/zinc/05/90/68/1330059068.db2.gz MQFMDSCMXWZPJJ-PXBLZKCCSA-N 0 0 326.299 3.032 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000866053198 1330059911 /nfs/dbraw/zinc/05/99/11/1330059911.db2.gz OYNOSRGZAFNITB-RDTXWAMCSA-N 0 0 346.358 3.445 10 5 EGBERN CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000866099621 1330065454 /nfs/dbraw/zinc/06/54/54/1330065454.db2.gz OBJSIDXRPAXANE-CYBMUJFWSA-N 0 0 325.340 3.203 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CCC2)[C@H]2CCOC2)s1 ZINC000866140838 1330069938 /nfs/dbraw/zinc/06/99/38/1330069938.db2.gz GSSQCFKUSFXOHC-GWCFXTLKSA-N 0 0 334.401 3.217 10 5 EGBERN Cc1ccc(CNc2ncnc3c2cnn3C(C)(C)C)cc1[N+](=O)[O-] ZINC000866181602 1330074576 /nfs/dbraw/zinc/07/45/76/1330074576.db2.gz IUVQUQUFEYCYOA-UHFFFAOYSA-N 0 0 340.387 3.410 10 5 EGBERN Nc1c(F)c(NCCSCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000866183452 1330074871 /nfs/dbraw/zinc/07/48/71/1330074871.db2.gz ABRAYZWHNTXAET-UHFFFAOYSA-N 0 0 327.303 3.414 10 5 EGBERN Cc1nc(N2CCC(c3nc(C4CCC4)no3)CC2)ccc1[N+](=O)[O-] ZINC000866199196 1330077127 /nfs/dbraw/zinc/07/71/27/1330077127.db2.gz LBRZWQSOMLNJCY-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000866253152 1330085726 /nfs/dbraw/zinc/08/57/26/1330085726.db2.gz WXEGHQCLMBBVII-ZDUSSCGKSA-N 0 0 328.347 3.118 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866375342 1330103762 /nfs/dbraw/zinc/10/37/62/1330103762.db2.gz VADYBIWXCJYVDO-AEGPPILISA-N 0 0 348.399 3.060 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402166 1330107110 /nfs/dbraw/zinc/10/71/10/1330107110.db2.gz ICCSLSUEPNKWMG-BBRMVZONSA-N 0 0 346.456 3.151 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480878 1330117338 /nfs/dbraw/zinc/11/73/38/1330117338.db2.gz LWXZFIBYWORMRZ-CVEARBPZSA-N 0 0 346.456 3.293 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000868479874 1330284498 /nfs/dbraw/zinc/28/44/98/1330284498.db2.gz LYKGEHWIHOSDIZ-HOTGVXAUSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000868618230 1330300653 /nfs/dbraw/zinc/30/06/53/1330300653.db2.gz VTSDPUYVEAFAJZ-LBPRGKRZSA-N 0 0 331.294 3.043 10 5 EGBERN CC[C@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000868755015 1330333238 /nfs/dbraw/zinc/33/32/38/1330333238.db2.gz RKYHNIJAPISNST-HOCLYGCPSA-N 0 0 335.404 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000868988621 1330387958 /nfs/dbraw/zinc/38/79/58/1330387958.db2.gz ACYXBEZEBRESGO-SJORKVTESA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000869053988 1330403805 /nfs/dbraw/zinc/40/38/05/1330403805.db2.gz CDWDNPDJEYIVAX-UHFFFAOYSA-N 0 0 341.367 3.495 10 5 EGBERN O=C(N1CCc2nc(F)ccc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869282969 1330452312 /nfs/dbraw/zinc/45/23/12/1330452312.db2.gz WNQGXDDRLKTTKR-UHFFFAOYSA-N 0 0 341.342 3.140 10 5 EGBERN O=C(OCc1coc(C2CC2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000869467897 1330505673 /nfs/dbraw/zinc/50/56/73/1330505673.db2.gz CXJNJCIUDBZTED-UHFFFAOYSA-N 0 0 338.266 3.295 10 5 EGBERN Cc1ccc(COC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000869553575 1330522190 /nfs/dbraw/zinc/52/21/90/1330522190.db2.gz HWNHUAXGBNIUBN-ZDUSSCGKSA-N 0 0 348.321 3.123 10 5 EGBERN Cc1ccc(C)c(C(=O)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000869577093 1330526434 /nfs/dbraw/zinc/52/64/34/1330526434.db2.gz XGFHVCGBHCEOSE-UHFFFAOYSA-N 0 0 340.379 3.062 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@]12C[C@H]1CCCC2 ZINC000869706376 1330549200 /nfs/dbraw/zinc/54/92/00/1330549200.db2.gz KKGMHSQPZKJJBQ-CXAGYDPISA-N 0 0 333.340 3.085 10 5 EGBERN CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000869788720 1330564322 /nfs/dbraw/zinc/56/43/22/1330564322.db2.gz BXHZCGJAYNSDIZ-MRXNPFEDSA-N 0 0 332.331 3.479 10 5 EGBERN C/C(=C\C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1ccc([N+](=O)[O-])cc1 ZINC000869824837 1330571340 /nfs/dbraw/zinc/57/13/40/1330571340.db2.gz ALYAACOBIYCTRM-DOIMZLEPSA-N 0 0 344.411 3.006 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](c2cnccn2)C1 ZINC000952995218 1334633332 /nfs/dbraw/zinc/63/33/32/1334633332.db2.gz FALYZRGVEGWTKK-SNVBAGLBSA-N 0 0 338.289 3.398 10 5 EGBERN CC[C@H](C)[C@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001185354084 1387691226 /nfs/dbraw/zinc/69/12/26/1387691226.db2.gz BIKNRVBZKSXPQE-MGPLVRAMSA-N 0 0 337.807 3.427 10 5 EGBERN NC(=O)C1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCCC1 ZINC001185355006 1387691237 /nfs/dbraw/zinc/69/12/37/1387691237.db2.gz UDQMEMVRRAQBGZ-UHFFFAOYSA-N 0 0 331.294 3.071 10 5 EGBERN CCC(CC)(CCO)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185574631 1387753963 /nfs/dbraw/zinc/75/39/63/1387753963.db2.gz SFNFRRHQCVGZFO-UHFFFAOYSA-N 0 0 335.379 3.305 10 5 EGBERN C[C@H](c1ccccc1)n1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])n1 ZINC001185756802 1387791377 /nfs/dbraw/zinc/79/13/77/1387791377.db2.gz SPUJMAWEQPCCJU-LLVKDONJSA-N 0 0 325.328 3.245 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)c2cc(F)ccc21 ZINC001191969759 1367651226 /nfs/dbraw/zinc/65/12/26/1367651226.db2.gz RJGSJADCRSSITJ-UHFFFAOYSA-N 0 0 331.347 3.199 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1cnc(F)cc1Cl ZINC001186396671 1387933466 /nfs/dbraw/zinc/93/34/66/1387933466.db2.gz ISDMDGDXJURASL-UHFFFAOYSA-N 0 0 340.620 3.327 10 5 EGBERN Cc1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2=O)cc1 ZINC001186413229 1387938338 /nfs/dbraw/zinc/93/83/38/1387938338.db2.gz DVQHCBLJHWBPJO-UHFFFAOYSA-N 0 0 345.786 3.410 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001186499141 1387955979 /nfs/dbraw/zinc/95/59/79/1387955979.db2.gz IOEGPUWKXMCNOK-CQSZACIVSA-N 0 0 331.328 3.173 10 5 EGBERN O=C1CC[C@@H](c2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)N1 ZINC001186714466 1387999971 /nfs/dbraw/zinc/99/99/71/1387999971.db2.gz RLMUCQWSIQRPRU-HNNXBMFYSA-N 0 0 349.350 3.233 10 5 EGBERN COC(=O)CC1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001186731706 1388001411 /nfs/dbraw/zinc/00/14/11/1388001411.db2.gz WUAIBUHLBHFDDA-UHFFFAOYSA-N 0 0 346.305 3.393 10 5 EGBERN COC(=O)C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC001187034614 1388043086 /nfs/dbraw/zinc/04/30/86/1388043086.db2.gz LYTQRSLWBBSABT-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)n1 ZINC001116362507 1370894924 /nfs/dbraw/zinc/89/49/24/1370894924.db2.gz TUUPIECZZTWQGD-UHFFFAOYSA-N 0 0 342.399 3.471 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C2CC2)nn1C ZINC001117811975 1371093447 /nfs/dbraw/zinc/09/34/47/1371093447.db2.gz UWMORZZVSKDJOE-JTQLQIEISA-N 0 0 346.412 3.325 10 5 EGBERN CCc1nnc([C@@H](C)OC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC001118392255 1371172190 /nfs/dbraw/zinc/17/21/90/1371172190.db2.gz BKMBVFWSXZIACF-LLVKDONJSA-N 0 0 332.360 3.119 10 5 EGBERN C[C@](CO)(NC(=O)/C=C\C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119052361 1371271357 /nfs/dbraw/zinc/27/13/57/1371271357.db2.gz IRJUHEXCIINIGE-RXQFDZFGSA-N 0 0 332.400 3.055 10 5 EGBERN Cc1[nH]c2ccccc2c1SCCNc1c([N+](=O)[O-])ncn1C ZINC001187921408 1388190203 /nfs/dbraw/zinc/19/02/03/1388190203.db2.gz UPKZPMNLMDDOSI-UHFFFAOYSA-N 0 0 331.401 3.322 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001123697073 1372562747 /nfs/dbraw/zinc/56/27/47/1372562747.db2.gz STZQHXZIBOHUHR-RRQGHBQHSA-N 0 0 347.415 3.399 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001124036971 1372662622 /nfs/dbraw/zinc/66/26/22/1372662622.db2.gz UPQUHKFFWIANHC-BXUZGUMPSA-N 0 0 338.791 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnc(CC(C)C)s1 ZINC001124153025 1372680378 /nfs/dbraw/zinc/68/03/78/1372680378.db2.gz RDICDEZWXNVQMZ-UHFFFAOYSA-N 0 0 336.369 3.478 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 ZINC001124195032 1372682759 /nfs/dbraw/zinc/68/27/59/1372682759.db2.gz HXRJOKPBAMTGSZ-UHFFFAOYSA-N 0 0 346.314 3.076 10 5 EGBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001124333665 1372692675 /nfs/dbraw/zinc/69/26/75/1372692675.db2.gz JBPFXKOXKFHISB-MRXNPFEDSA-N 0 0 325.324 3.035 10 5 EGBERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001124333982 1372692835 /nfs/dbraw/zinc/69/28/35/1372692835.db2.gz NLZKAQNHIKHUEX-HNNXBMFYSA-N 0 0 340.335 3.266 10 5 EGBERN COc1ccc(NC(=O)c2c(F)cc(OC)cc2F)c([N+](=O)[O-])c1 ZINC001124341019 1372693180 /nfs/dbraw/zinc/69/31/80/1372693180.db2.gz XMMHEOXAVUMXPS-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1OCc2ccccc21 ZINC001124338499 1372693487 /nfs/dbraw/zinc/69/34/87/1372693487.db2.gz DYZDBRYVAAQUJO-MRXNPFEDSA-N 0 0 328.324 3.204 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-n1cncn1 ZINC001124403250 1372699210 /nfs/dbraw/zinc/69/92/10/1372699210.db2.gz IEHACWOAVQNZGU-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])C1[C@@H]2CCCCCC[C@@H]12 ZINC001124500227 1372707743 /nfs/dbraw/zinc/70/77/43/1372707743.db2.gz NEAUXASPCICSHX-ZIAGYGMSSA-N 0 0 331.416 3.339 10 5 EGBERN CC(C)(C)C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cn1 ZINC001124596232 1372715338 /nfs/dbraw/zinc/71/53/38/1372715338.db2.gz CSKBTZNBBJTFOQ-UHFFFAOYSA-N 0 0 343.339 3.194 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc2cccnc21 ZINC001125558383 1372806643 /nfs/dbraw/zinc/80/66/43/1372806643.db2.gz OVEPEIRDOUIPMV-UHFFFAOYSA-N 0 0 339.326 3.141 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1ccc(N(C)C)cc1 ZINC001125677646 1372835200 /nfs/dbraw/zinc/83/52/00/1372835200.db2.gz YUVMSRSGNZXHQJ-UHFFFAOYSA-N 0 0 341.411 3.250 10 5 EGBERN CNC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001125796551 1372858978 /nfs/dbraw/zinc/85/89/78/1372858978.db2.gz RXXXWUFSCCYKBS-UHFFFAOYSA-N 0 0 348.746 3.252 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3ccccc3n2C)c1C ZINC001125852602 1372873497 /nfs/dbraw/zinc/87/34/97/1372873497.db2.gz PIDXOVWYEWRNFY-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001125876970 1372879270 /nfs/dbraw/zinc/87/92/70/1372879270.db2.gz ZKGZZSIPXKGUSX-DLBZAZTESA-N 0 0 332.400 3.306 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)n1 ZINC001126087663 1372930713 /nfs/dbraw/zinc/93/07/13/1372930713.db2.gz BVAANDDSVOOKHY-MRXNPFEDSA-N 0 0 325.368 3.049 10 5 EGBERN COCc1csc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001126134278 1372940958 /nfs/dbraw/zinc/94/09/58/1372940958.db2.gz YNXGNWNTJDLPQX-UHFFFAOYSA-N 0 0 341.776 3.412 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cnn(C)c1Cl ZINC001126193726 1372947109 /nfs/dbraw/zinc/94/71/09/1372947109.db2.gz AHUULBNIZKUVTK-UHFFFAOYSA-N 0 0 330.127 3.163 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2OC[C@@H]1C ZINC001126563510 1372974971 /nfs/dbraw/zinc/97/49/71/1372974971.db2.gz XZOUVNBIENFDQP-NSHDSACASA-N 0 0 330.315 3.470 10 5 EGBERN O=C(c1ccc2c(c1)OC(F)(F)O2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126611770 1372983054 /nfs/dbraw/zinc/98/30/54/1372983054.db2.gz OAYWDRRMHABGIH-UHFFFAOYSA-N 0 0 348.261 3.072 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001127270796 1373110192 /nfs/dbraw/zinc/11/01/92/1373110192.db2.gz AVFNAROPGRLKBD-UHFFFAOYSA-N 0 0 328.324 3.217 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)n1 ZINC001127390960 1373122906 /nfs/dbraw/zinc/12/29/06/1373122906.db2.gz UCGZSDJYBTYFQM-GFCCVEGCSA-N 0 0 341.245 3.154 10 5 EGBERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001127522798 1373134946 /nfs/dbraw/zinc/13/49/46/1373134946.db2.gz PWDZPQYHGHLXGZ-CUOATXAZSA-N 0 0 338.429 3.106 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](c1cccnc1)C1CC1 ZINC001127675748 1373158033 /nfs/dbraw/zinc/15/80/33/1373158033.db2.gz QAWUXVZBVVUARP-INIZCTEOSA-N 0 0 329.331 3.318 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC001127815591 1373185838 /nfs/dbraw/zinc/18/58/38/1373185838.db2.gz ULFVWFLXQGCSSO-UHFFFAOYSA-N 0 0 333.271 3.048 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(NC2CC2)nc1 ZINC001127864663 1373191764 /nfs/dbraw/zinc/19/17/64/1373191764.db2.gz VTXQGWXYUIKEMM-UHFFFAOYSA-N 0 0 349.350 3.365 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1nncc2ccccc21 ZINC001127864892 1373192629 /nfs/dbraw/zinc/19/26/29/1373192629.db2.gz XFDUAMWCJLKLEU-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c2ncccc12 ZINC001128211018 1373235154 /nfs/dbraw/zinc/23/51/54/1373235154.db2.gz FDGQNRRPTDPFOQ-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cn1 ZINC001128274617 1373244885 /nfs/dbraw/zinc/24/48/85/1373244885.db2.gz NSFFYFKCVAYRAY-UHFFFAOYSA-N 0 0 330.344 3.124 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC001128305627 1373249767 /nfs/dbraw/zinc/24/97/67/1373249767.db2.gz WMACSQMOSUBYSW-YWEYNIOJSA-N 0 0 348.286 3.074 10 5 EGBERN C/C(=C\c1ccncc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001128401126 1373262773 /nfs/dbraw/zinc/26/27/73/1373262773.db2.gz JGBDFNLODOTNAD-WYMLVPIESA-N 0 0 325.368 3.094 10 5 EGBERN COCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC001128651778 1373300654 /nfs/dbraw/zinc/30/06/54/1373300654.db2.gz ZQBOXLNCCSKKGI-AETAKHFUSA-N 0 0 346.427 3.362 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)CCCCc1ccc(Cl)cc1 ZINC001128879873 1373319963 /nfs/dbraw/zinc/31/99/63/1373319963.db2.gz CITBBYQXTZHZKP-UHFFFAOYSA-N 0 0 336.779 3.333 10 5 EGBERN C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc2c1OCO2 ZINC001128881348 1373320786 /nfs/dbraw/zinc/32/07/86/1373320786.db2.gz OVXHHGWGXNXQMT-NSHDSACASA-N 0 0 345.307 3.007 10 5 EGBERN O=C(Nc1ccc2c(n1)CCCC2=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129022381 1373336743 /nfs/dbraw/zinc/33/67/43/1373336743.db2.gz FKSRRJUVSMDVCD-UHFFFAOYSA-N 0 0 347.277 3.039 10 5 EGBERN CS(C)(=O)=Nc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001129738996 1373418844 /nfs/dbraw/zinc/41/88/44/1373418844.db2.gz OPAQCEFHYRZXJY-UHFFFAOYSA-N 0 0 347.396 3.135 10 5 EGBERN Cc1cc(C(=O)N2CCOc3c(F)c(F)ccc32)cc([N+](=O)[O-])c1 ZINC001129795225 1373424242 /nfs/dbraw/zinc/42/42/42/1373424242.db2.gz UQQXOGCQBXIXDA-UHFFFAOYSA-N 0 0 334.278 3.221 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001129817211 1373426053 /nfs/dbraw/zinc/42/60/53/1373426053.db2.gz VWBYWDQIWHNYPV-GFCCVEGCSA-N 0 0 342.351 3.432 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H](F)C1 ZINC001326630567 1388262732 /nfs/dbraw/zinc/26/27/32/1388262732.db2.gz AQZBLFVMSVHKQB-NWDGAFQWSA-N 0 0 349.318 3.216 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3ccccc3nn2)cc1[N+](=O)[O-] ZINC001130382085 1373511822 /nfs/dbraw/zinc/51/18/22/1373511822.db2.gz IEVVVMQRHWBUMY-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN O=C(Nc1cc(F)ccn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130667589 1373577852 /nfs/dbraw/zinc/57/78/52/1373577852.db2.gz HVVHBERMQUVFRP-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001130710612 1373583103 /nfs/dbraw/zinc/58/31/03/1373583103.db2.gz XWQQWRUQJVJCEY-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN O=C(Cc1ccc(F)cc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130756173 1373588505 /nfs/dbraw/zinc/58/85/05/1373588505.db2.gz UOISKZAOBBIZSC-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cnc1F ZINC001130764703 1373589381 /nfs/dbraw/zinc/58/93/81/1373589381.db2.gz OPAGPIKQYQSGMR-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(Cl)oc3ccccc32)n1 ZINC001131198723 1373660717 /nfs/dbraw/zinc/66/07/17/1373660717.db2.gz CLJOYYXMGGUCEX-UHFFFAOYSA-N 0 0 348.746 3.141 10 5 EGBERN Cc1ncc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC001131198286 1373660899 /nfs/dbraw/zinc/66/08/99/1373660899.db2.gz UPCQFLUEQZTZMT-UHFFFAOYSA-N 0 0 341.117 3.011 10 5 EGBERN C[C@@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001131254820 1373669898 /nfs/dbraw/zinc/66/98/98/1373669898.db2.gz ZWUMZRZONUMVDI-SNVBAGLBSA-N 0 0 348.305 3.469 10 5 EGBERN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001131330418 1373681103 /nfs/dbraw/zinc/68/11/03/1373681103.db2.gz OATUPWRPPXREOB-QWFCFKBJSA-N 0 0 338.407 3.429 10 5 EGBERN Cc1cc2nccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n2n1 ZINC001131730213 1373777434 /nfs/dbraw/zinc/77/74/34/1373777434.db2.gz RZKTUROSOORWHR-UHFFFAOYSA-N 0 0 339.355 3.123 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001131878982 1373863265 /nfs/dbraw/zinc/86/32/65/1373863265.db2.gz YJRAEJWYPBIOCE-JKSUJKDBSA-N 0 0 340.335 3.124 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@]2(O)CCc3ccccc32)c1 ZINC001326751688 1388299058 /nfs/dbraw/zinc/29/90/58/1388299058.db2.gz LHZQTIOXYAXYCM-SFHVURJKSA-N 0 0 346.358 3.013 10 5 EGBERN CN(CC(=O)Nc1ccc2occc2c1)c1ccccc1[N+](=O)[O-] ZINC001132490468 1375422544 /nfs/dbraw/zinc/42/25/44/1375422544.db2.gz RUKJJEVQDOLBHQ-UHFFFAOYSA-N 0 0 325.324 3.416 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\Sc1ccccc1 ZINC001132750450 1375545962 /nfs/dbraw/zinc/54/59/62/1375545962.db2.gz MKIZIIHPLUSSFX-FPLPWBNLSA-N 0 0 331.353 3.243 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CSc2cnccn2)o1 ZINC001188822376 1388384638 /nfs/dbraw/zinc/38/46/38/1388384638.db2.gz ASNHACFBQRFINF-UHFFFAOYSA-N 0 0 349.759 3.381 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc2cc(F)ccc12 ZINC001132929440 1375651491 /nfs/dbraw/zinc/65/14/91/1375651491.db2.gz ZAUGTJINITWBJS-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1-c1ccccc1 ZINC001133056409 1375747310 /nfs/dbraw/zinc/74/73/10/1375747310.db2.gz PBOWSPTZTVMYRT-UHFFFAOYSA-N 0 0 349.346 3.340 10 5 EGBERN C[C@@H](NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC001133117746 1375785553 /nfs/dbraw/zinc/78/55/53/1375785553.db2.gz UMEBMYJTTFVCNX-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN COc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1OC ZINC001133487572 1376035922 /nfs/dbraw/zinc/03/59/22/1376035922.db2.gz SJDROZLREVRHTL-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1coc(-c2ccccc2F)n1 ZINC001188951909 1388418457 /nfs/dbraw/zinc/41/84/57/1388418457.db2.gz HXQZIUSEBRCXJP-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1nccn1 ZINC001133695383 1376161481 /nfs/dbraw/zinc/16/14/81/1376161481.db2.gz ZOWLXFBTCIYZPA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1c(CC(=O)NCCc2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC001133765754 1376197637 /nfs/dbraw/zinc/19/76/37/1376197637.db2.gz ORIMJDMCFJEAEV-UHFFFAOYSA-N 0 0 349.390 3.353 10 5 EGBERN Cc1c(C(=O)NCc2ccc(-c3cnco3)cc2)cccc1[N+](=O)[O-] ZINC001134564192 1376597947 /nfs/dbraw/zinc/59/79/47/1376597947.db2.gz RCDMFUWBYQVGLM-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134684682 1376657107 /nfs/dbraw/zinc/65/71/07/1376657107.db2.gz FKUJPQKBNAPYBO-UHFFFAOYSA-N 0 0 337.282 3.091 10 5 EGBERN CC(C)Oc1cnccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001134718386 1376677349 /nfs/dbraw/zinc/67/73/49/1376677349.db2.gz JKBJUQMCXLFKSW-UHFFFAOYSA-N 0 0 335.747 3.105 10 5 EGBERN Cc1cc(NC(=O)c2csc(-c3ncccn3)n2)cc([N+](=O)[O-])c1 ZINC001134959979 1376811841 /nfs/dbraw/zinc/81/18/41/1376811841.db2.gz NTPQXCBPYAHQGD-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001134963215 1376812772 /nfs/dbraw/zinc/81/27/72/1376812772.db2.gz YZUWXUKONNIKMC-LLVKDONJSA-N 0 0 337.376 3.003 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001135055346 1376871005 /nfs/dbraw/zinc/87/10/05/1376871005.db2.gz JOWJWHSIGKVABQ-TZMCWYRMSA-N 0 0 336.363 3.055 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1c(Cl)cccc1[N+](=O)[O-])CCN2C ZINC001135131075 1376923299 /nfs/dbraw/zinc/92/32/99/1376923299.db2.gz QTPBBFKEGMOQNV-UHFFFAOYSA-N 0 0 346.774 3.048 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001135391743 1377070564 /nfs/dbraw/zinc/07/05/64/1377070564.db2.gz GCHZWNWDNPUGCM-UHFFFAOYSA-N 0 0 345.336 3.416 10 5 EGBERN Cc1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc1C ZINC001253838968 1377102228 /nfs/dbraw/zinc/10/22/28/1377102228.db2.gz RFYBJQYSSKGTIC-UHFFFAOYSA-N 0 0 345.424 3.402 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001135573003 1377152258 /nfs/dbraw/zinc/15/22/58/1377152258.db2.gz SVUKMVQDTLSSLG-VXGBXAGGSA-N 0 0 327.384 3.448 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001265724255 1377163889 /nfs/dbraw/zinc/16/38/89/1377163889.db2.gz IPSPYVYOBMERAJ-BXUZGUMPSA-N 0 0 348.399 3.311 10 5 EGBERN O=C(Nc1ccc(C2CC2)cc1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001266742024 1377371444 /nfs/dbraw/zinc/37/14/44/1377371444.db2.gz MWKWAVZTHIRJDN-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001136401096 1377389346 /nfs/dbraw/zinc/38/93/46/1377389346.db2.gz ICGMAOYJNUFSLJ-CQSZACIVSA-N 0 0 347.758 3.084 10 5 EGBERN CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001136490781 1377399742 /nfs/dbraw/zinc/39/97/42/1377399742.db2.gz QLWMCXSNJDZIJF-UHFFFAOYSA-N 0 0 336.351 3.392 10 5 EGBERN CSc1cccc(N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001136537104 1377403435 /nfs/dbraw/zinc/40/34/35/1377403435.db2.gz VXBVWGJJUNROTH-OAHLLOKOSA-N 0 0 332.381 3.013 10 5 EGBERN C[Si](C)(C)c1ccc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC001189256687 1388498446 /nfs/dbraw/zinc/49/84/46/1388498446.db2.gz RYVOSWAURCIXQI-UHFFFAOYSA-N 0 0 342.427 3.096 10 5 EGBERN Cc1cc(F)cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1N ZINC001137113925 1377480984 /nfs/dbraw/zinc/48/09/84/1377480984.db2.gz AAGXTFVNYBVSTK-UHFFFAOYSA-N 0 0 345.374 3.377 10 5 EGBERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc2ccccc2s1 ZINC001137457111 1377550567 /nfs/dbraw/zinc/55/05/67/1377550567.db2.gz FAWALLKHSZRHFC-VIFPVBQESA-N 0 0 330.369 3.066 10 5 EGBERN Cc1ccc(C(=O)N(CCO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001137874513 1377634873 /nfs/dbraw/zinc/63/48/73/1377634873.db2.gz OBPPAUDBEWWBAD-CQSZACIVSA-N 0 0 328.368 3.099 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)s1 ZINC001137908921 1377642452 /nfs/dbraw/zinc/64/24/52/1377642452.db2.gz RAMIGRRVXWPHMC-ZETCQYMHSA-N 0 0 325.777 3.383 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1nccn1-c1ccccc1 ZINC001138191176 1377689056 /nfs/dbraw/zinc/68/90/56/1377689056.db2.gz XLKMEAGBPYGCAK-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN O=C(Nc1ccn2ccnc2c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001139980124 1377986702 /nfs/dbraw/zinc/98/67/02/1377986702.db2.gz GVBOZZTVAVHLIM-UHFFFAOYSA-N 0 0 334.694 3.287 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCCO[C@@H]1CC1(F)F ZINC001327465793 1388526963 /nfs/dbraw/zinc/52/69/63/1388526963.db2.gz DNTBQONTEVODAY-LLVKDONJSA-N 0 0 329.299 3.101 10 5 EGBERN C[C@H]1CCC[C@H](C)N1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001140445750 1378064433 /nfs/dbraw/zinc/06/44/33/1378064433.db2.gz NIMAUDRXKWNCNJ-IUCAKERBSA-N 0 0 329.759 3.295 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001141416011 1378321574 /nfs/dbraw/zinc/32/15/74/1378321574.db2.gz ULKRGASGMUFEKJ-QGZVFWFLSA-N 0 0 325.368 3.463 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001141600108 1378349116 /nfs/dbraw/zinc/34/91/16/1378349116.db2.gz OQHZTSWMBGLNAC-QGZVFWFLSA-N 0 0 325.368 3.293 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cccc2nsnc21 ZINC001141708127 1378364383 /nfs/dbraw/zinc/36/43/83/1378364383.db2.gz UKCLDABUUKELKI-UHFFFAOYSA-N 0 0 342.380 3.398 10 5 EGBERN O=C(Nc1cc(O)c(F)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001141834030 1378383114 /nfs/dbraw/zinc/38/31/14/1378383114.db2.gz RBHUGJURQFOLNY-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001142038603 1378407900 /nfs/dbraw/zinc/40/79/00/1378407900.db2.gz CXXPZMFVXOSOIV-UHFFFAOYSA-N 0 0 346.339 3.016 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001142215243 1378420697 /nfs/dbraw/zinc/42/06/97/1378420697.db2.gz QYXYBHDEZHRPAW-JQWIXIFHSA-N 0 0 337.807 3.387 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001142215242 1378420865 /nfs/dbraw/zinc/42/08/65/1378420865.db2.gz QYXYBHDEZHRPAW-CMPLNLGQSA-N 0 0 337.807 3.387 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001327549882 1388558140 /nfs/dbraw/zinc/55/81/40/1388558140.db2.gz HRZFDXGOMAIZQA-DOMZBBRYSA-N 0 0 337.372 3.240 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327577152 1388562504 /nfs/dbraw/zinc/56/25/04/1388562504.db2.gz JVMYCPNOHUCWTE-OUAUKWLOSA-N 0 0 329.274 3.459 10 5 EGBERN CO[C@]1(C)C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001147882271 1379096952 /nfs/dbraw/zinc/09/69/52/1379096952.db2.gz VCIUUKYTKRKXCI-IAQYHMDHSA-N 0 0 344.770 3.321 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccccc1C ZINC001149935944 1379469675 /nfs/dbraw/zinc/46/96/75/1379469675.db2.gz SPDKWLGLSFZJSM-HNNXBMFYSA-N 0 0 346.408 3.089 10 5 EGBERN COc1ccc2cc(C(=O)NCc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001152085744 1379860052 /nfs/dbraw/zinc/86/00/52/1379860052.db2.gz JWCCHMQQRWNVPW-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)ccn2)cc1Cl ZINC001152319135 1379906904 /nfs/dbraw/zinc/90/69/04/1379906904.db2.gz CEJXTMQLPYVWQE-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001154109777 1380211216 /nfs/dbraw/zinc/21/12/16/1380211216.db2.gz REPUSDZCCWRISJ-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC001156708157 1380614379 /nfs/dbraw/zinc/61/43/79/1380614379.db2.gz OFUSYRPNQSEVMA-JTQLQIEISA-N 0 0 325.796 3.481 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156906354 1380722819 /nfs/dbraw/zinc/72/28/19/1380722819.db2.gz GVUQSZIDTZWQIJ-UHFFFAOYSA-N 0 0 340.383 3.438 10 5 EGBERN Cc1ccc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)nn1 ZINC001287435412 1381201478 /nfs/dbraw/zinc/20/14/78/1381201478.db2.gz GIJBXMYCHLHSOZ-LBPRGKRZSA-N 0 0 341.245 3.154 10 5 EGBERN COc1cc(C(=O)N[C@H](CF)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001288081316 1381563482 /nfs/dbraw/zinc/56/34/82/1381563482.db2.gz OFAZTSUJXVEDEL-CYBMUJFWSA-N 0 0 336.294 3.183 10 5 EGBERN Cn1cc(Cl)c(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001288278604 1381762603 /nfs/dbraw/zinc/76/26/03/1381762603.db2.gz LURJNCLLUBGQCJ-UHFFFAOYSA-N 0 0 343.170 3.206 10 5 EGBERN CCSc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001288311602 1381774420 /nfs/dbraw/zinc/77/44/20/1381774420.db2.gz SYAXGTJJOSIIMZ-UHFFFAOYSA-N 0 0 346.408 3.402 10 5 EGBERN O=C(NCc1cscc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001288891830 1381961140 /nfs/dbraw/zinc/96/11/40/1381961140.db2.gz BVOLRUYCIZVHPM-UHFFFAOYSA-N 0 0 341.732 3.148 10 5 EGBERN Cc1cc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001289341553 1381993067 /nfs/dbraw/zinc/99/30/67/1381993067.db2.gz WBNCDZCAHOKZHW-GFCCVEGCSA-N 0 0 343.339 3.345 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC001289378417 1381996687 /nfs/dbraw/zinc/99/66/87/1381996687.db2.gz RZAPVNCFGYEAPB-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN C[S@@](=O)(=NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289708274 1382008960 /nfs/dbraw/zinc/00/89/60/1382008960.db2.gz TYZWXARCWJMJHE-KVOGHMLTSA-N 0 0 348.355 3.431 10 5 EGBERN COc1ccc2c(=O)[nH]n(C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2c1 ZINC001160244681 1382047782 /nfs/dbraw/zinc/04/77/82/1382047782.db2.gz JFCLIZPQWRQVCF-UHFFFAOYSA-N 0 0 347.714 3.001 10 5 EGBERN O=C(Cc1ccc(O)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585720 1382098237 /nfs/dbraw/zinc/09/82/37/1382098237.db2.gz KTBMFEHDWXNMNE-UHFFFAOYSA-N 0 0 332.743 3.086 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC001290589208 1382099047 /nfs/dbraw/zinc/09/90/47/1382099047.db2.gz MPBHEYXAIMCNBE-UHFFFAOYSA-N 0 0 338.367 3.360 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001160555680 1382140272 /nfs/dbraw/zinc/14/02/72/1382140272.db2.gz IDVYDYIXIOSJHY-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001160557313 1382140785 /nfs/dbraw/zinc/14/07/85/1382140785.db2.gz VACWHISTZIAXLL-SNVBAGLBSA-N 0 0 346.387 3.466 10 5 EGBERN Cc1cnc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)s1 ZINC001293606491 1382313945 /nfs/dbraw/zinc/31/39/45/1382313945.db2.gz JDRSYIMMWFZAKR-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN O=C(Cc1ccc(O)c(Cl)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001293830203 1382371237 /nfs/dbraw/zinc/37/12/37/1382371237.db2.gz FRWYQQOFASMPQA-UHFFFAOYSA-N 0 0 332.743 3.086 10 5 EGBERN CO/C(=C\c1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294550187 1382470348 /nfs/dbraw/zinc/47/03/48/1382470348.db2.gz LMBWKNASIIDGFI-WQRHYEAKSA-N 0 0 338.363 3.167 10 5 EGBERN Cc1ccc(COC(=O)c2cccc3c2COCC3)cc1[N+](=O)[O-] ZINC001328618369 1388790129 /nfs/dbraw/zinc/79/01/29/1388790129.db2.gz DRGSYCQNVFDUEZ-UHFFFAOYSA-N 0 0 327.336 3.333 10 5 EGBERN Cc1ccc(CO)cc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001294908420 1382522148 /nfs/dbraw/zinc/52/21/48/1382522148.db2.gz WLEGFZGURGVPTJ-UHFFFAOYSA-N 0 0 332.331 3.106 10 5 EGBERN COc1cccc(-c2nc3ccccc3c(-n3cc([N+](=O)[O-])cn3)n2)c1 ZINC001162084112 1382623656 /nfs/dbraw/zinc/62/36/56/1382623656.db2.gz OJLKZWGRMRFMRP-UHFFFAOYSA-N 0 0 347.334 3.399 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@@H]1OC ZINC001162994733 1382941313 /nfs/dbraw/zinc/94/13/13/1382941313.db2.gz MDFKBMLYBHFAOE-LOWVWBTDSA-N 0 0 334.294 3.218 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC001163054713 1382955895 /nfs/dbraw/zinc/95/58/95/1382955895.db2.gz NEPZCOFFGOKRAQ-UHFFFAOYSA-N 0 0 337.339 3.075 10 5 EGBERN CNc1ccc(C(=O)Nc2cc3cc(OC)ccc3[nH]2)cc1[N+](=O)[O-] ZINC001296323346 1382963922 /nfs/dbraw/zinc/96/39/22/1382963922.db2.gz NRYMQMFVNNAZQY-UHFFFAOYSA-N 0 0 340.339 3.379 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2nccn2-c2ccccc2)cc1F ZINC001163165829 1382981299 /nfs/dbraw/zinc/98/12/99/1382981299.db2.gz IJGCSPOIPPAIDR-UHFFFAOYSA-N 0 0 342.330 3.024 10 5 EGBERN C=COc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001163466661 1383058111 /nfs/dbraw/zinc/05/81/11/1383058111.db2.gz WPOGAOTWDOORHN-UHFFFAOYSA-N 0 0 340.382 3.326 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001163480725 1383061012 /nfs/dbraw/zinc/06/10/12/1383061012.db2.gz MGHDOVYHKOORHK-UHFFFAOYSA-N 0 0 334.335 3.261 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCCC(F)(F)C1 ZINC001163661912 1383097079 /nfs/dbraw/zinc/09/70/79/1383097079.db2.gz BTKCYFSMKRBEPQ-UHFFFAOYSA-N 0 0 334.706 3.270 10 5 EGBERN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c([N+](=O)[O-])s1 ZINC001163873358 1383131771 /nfs/dbraw/zinc/13/17/71/1383131771.db2.gz KELZQPDAEJTZIX-QWRGUYRKSA-N 0 0 339.417 3.163 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)c2c1 ZINC001164130919 1383159290 /nfs/dbraw/zinc/15/92/90/1383159290.db2.gz FURXBFXPPDAZSX-XWUBHJNHSA-N 0 0 327.384 3.278 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(-c3ccon3)cc2)n1 ZINC001164201046 1383165413 /nfs/dbraw/zinc/16/54/13/1383165413.db2.gz OUUBASLSGGCJID-UHFFFAOYSA-N 0 0 340.295 3.175 10 5 EGBERN CCc1nc(CNc2c(Br)cccc2[N+](=O)[O-])c[nH]1 ZINC001164243431 1383170398 /nfs/dbraw/zinc/17/03/98/1383170398.db2.gz OIJNOGATLUETOJ-UHFFFAOYSA-N 0 0 325.166 3.255 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001164254751 1383171858 /nfs/dbraw/zinc/17/18/58/1383171858.db2.gz JTLILMXIDPAMIW-SNVBAGLBSA-N 0 0 333.348 3.243 10 5 EGBERN Cc1ccc(CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)cc1[N+](=O)[O-] ZINC001165868931 1383353864 /nfs/dbraw/zinc/35/38/64/1383353864.db2.gz HEVFGILSJSQWHI-VXGBXAGGSA-N 0 0 345.399 3.150 10 5 EGBERN Cc1cc(OC[C@H]2CCC[C@]3(CCOC3)O2)c(F)cc1[N+](=O)[O-] ZINC001166029787 1383379116 /nfs/dbraw/zinc/37/91/16/1383379116.db2.gz HUSSNSYGMBKLPC-MLGOLLRUSA-N 0 0 325.336 3.149 10 5 EGBERN COc1cc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1O ZINC001298808870 1383432481 /nfs/dbraw/zinc/43/24/81/1383432481.db2.gz DGGJVVXVFNLQCR-UHFFFAOYSA-N 0 0 330.340 3.107 10 5 EGBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001299752451 1383626417 /nfs/dbraw/zinc/62/64/17/1383626417.db2.gz WXRFBRVZTHNLLL-SJLPKXTDSA-N 0 0 339.326 3.443 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(Cl)nc1 ZINC001299862600 1383632629 /nfs/dbraw/zinc/63/26/29/1383632629.db2.gz ONHUVOXYZMLWPT-CLTKARDFSA-N 0 0 332.747 3.337 10 5 EGBERN COc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC001301232055 1383702678 /nfs/dbraw/zinc/70/26/78/1383702678.db2.gz DXWJGKJIOPMROP-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN[C@H](Cn1cccn1)c1ccccc1 ZINC001167686762 1383709785 /nfs/dbraw/zinc/70/97/85/1383709785.db2.gz XZFYSCAAMZVACB-QGZVFWFLSA-N 0 0 340.358 3.462 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc2cnccc2o1 ZINC001302897379 1383772352 /nfs/dbraw/zinc/77/23/52/1383772352.db2.gz FJAAYXMGOSCAFL-JTQLQIEISA-N 0 0 340.339 3.269 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NC)C(=O)c1ccccc1 ZINC001302926564 1383773689 /nfs/dbraw/zinc/77/36/89/1383773689.db2.gz MQHBVWPRUSFWSV-HNNXBMFYSA-N 0 0 341.367 3.028 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001303079662 1383782301 /nfs/dbraw/zinc/78/23/01/1383782301.db2.gz KEPILVTUQCUHCH-GOSISDBHSA-N 0 0 325.368 3.328 10 5 EGBERN CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573281 1383807254 /nfs/dbraw/zinc/80/72/54/1383807254.db2.gz JSLUZAYSQYGPCG-LBPRGKRZSA-N 0 0 332.360 3.237 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H](CO)Cc2ccco2)cccc1C(F)(F)F ZINC001306925857 1383921720 /nfs/dbraw/zinc/92/17/20/1383921720.db2.gz WOSUHJNBZJXLBV-JTQLQIEISA-N 0 0 344.289 3.470 10 5 EGBERN CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001306958709 1383926405 /nfs/dbraw/zinc/92/64/05/1383926405.db2.gz DSILYPUBWXQYCI-UHFFFAOYSA-N 0 0 344.390 3.230 10 5 EGBERN CC(C)c1noc(CCNc2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001306960008 1383926462 /nfs/dbraw/zinc/92/64/62/1383926462.db2.gz VVRQNWIIGRSIKW-UHFFFAOYSA-N 0 0 327.344 3.304 10 5 EGBERN O=C1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1c1cccc(F)c1 ZINC001307090022 1383938799 /nfs/dbraw/zinc/93/87/99/1383938799.db2.gz GNENCYHDTIDULT-UHFFFAOYSA-N 0 0 349.749 3.241 10 5 EGBERN O=C1O[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC001307150669 1383946524 /nfs/dbraw/zinc/94/65/24/1383946524.db2.gz AXKQHBZMAHFOHO-VIFPVBQESA-N 0 0 346.170 3.297 10 5 EGBERN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC001307164720 1383948685 /nfs/dbraw/zinc/94/86/85/1383948685.db2.gz VWPZSVMXAAGKJA-WDEREUQCSA-N 0 0 346.305 3.081 10 5 EGBERN Cc1ccc(CNc2nc(-c3ccncc3)nc(C)c2C)cc1[N+](=O)[O-] ZINC001307189914 1383953398 /nfs/dbraw/zinc/95/33/98/1383953398.db2.gz QDHODLKBBORJIY-UHFFFAOYSA-N 0 0 349.394 3.406 10 5 EGBERN Cc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1N1CCCC1 ZINC001307203283 1383956203 /nfs/dbraw/zinc/95/62/03/1383956203.db2.gz YMYACJBOKDXZLD-UHFFFAOYSA-N 0 0 340.383 3.346 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001307205851 1383957022 /nfs/dbraw/zinc/95/70/22/1383957022.db2.gz TVVVVZVFLMDUKQ-OIBJUYFYSA-N 0 0 335.238 3.025 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H](O)Cc1ccccc1F ZINC001307210346 1383957957 /nfs/dbraw/zinc/95/79/57/1383957957.db2.gz IEFQQTJYUAAPPF-AWEZNQCLSA-N 0 0 341.342 3.298 10 5 EGBERN CCOc1cc(NCC(=O)N(CC)c2ccccc2)ccc1[N+](=O)[O-] ZINC001307210245 1383958095 /nfs/dbraw/zinc/95/80/95/1383958095.db2.gz FJBKQHIZYVIVRB-UHFFFAOYSA-N 0 0 343.383 3.459 10 5 EGBERN COc1ccccc1N1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001307232222 1383961792 /nfs/dbraw/zinc/96/17/92/1383961792.db2.gz ZQYKNHUQMUOIMS-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN CCc1nn(C)c(N[C@H]2CCCc3c(cccc3OC)C2)c1[N+](=O)[O-] ZINC001307232152 1383961929 /nfs/dbraw/zinc/96/19/29/1383961929.db2.gz XNXRYYLKUFCCTH-ZDUSSCGKSA-N 0 0 344.415 3.259 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1Oc1ncnc3sccc31)OCCO2 ZINC001307231521 1383961943 /nfs/dbraw/zinc/96/19/43/1383961943.db2.gz NXCVVXWTVWALLZ-UHFFFAOYSA-N 0 0 331.309 3.163 10 5 EGBERN O=[N+]([O-])c1cc(Cn2nnnc2/C=C/c2ccccc2)ccc1Cl ZINC001307318639 1383971172 /nfs/dbraw/zinc/97/11/72/1383971172.db2.gz OPWWUXXRXVCMLN-VQHVLOKHSA-N 0 0 341.758 3.453 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CC=CCN1C(=O)OC(C)(C)C ZINC001307962208 1384064410 /nfs/dbraw/zinc/06/44/10/1384064410.db2.gz OSWDVWWZVHNDAQ-UHFFFAOYSA-N 0 0 349.387 3.127 10 5 EGBERN C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308040084 1384079016 /nfs/dbraw/zinc/07/90/16/1384079016.db2.gz NQTZRJIDVMJKHP-HNNXBMFYSA-N 0 0 341.411 3.179 10 5 EGBERN COc1cncc(/C=C\CCN2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001169026069 1384093545 /nfs/dbraw/zinc/09/35/45/1384093545.db2.gz ZUCUXDZLWZNBER-RQOWECAXSA-N 0 0 325.368 3.464 10 5 EGBERN C=Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001309077309 1384168600 /nfs/dbraw/zinc/16/86/00/1384168600.db2.gz PETOGEYEZBGYDU-GFCCVEGCSA-N 0 0 332.381 3.277 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC001312362764 1384343497 /nfs/dbraw/zinc/34/34/97/1384343497.db2.gz QFFFBPZCDLNLCM-SMDDNHRTSA-N 0 0 335.404 3.227 10 5 EGBERN C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001312508285 1384353675 /nfs/dbraw/zinc/35/36/75/1384353675.db2.gz HVTSPCYLJHAFQN-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001312607867 1384359680 /nfs/dbraw/zinc/35/96/80/1384359680.db2.gz IGCVIPKCGAXELJ-KFWWJZLASA-N 0 0 348.447 3.378 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc2[nH]ccc21 ZINC001312627445 1384361707 /nfs/dbraw/zinc/36/17/07/1384361707.db2.gz VMWBMHWDPIIDCK-UHFFFAOYSA-N 0 0 338.367 3.118 10 5 EGBERN CC[C@@H](C)CONC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312765531 1384369911 /nfs/dbraw/zinc/36/99/11/1384369911.db2.gz NQHZMFPGXRIONE-UKRRQHHQSA-N 0 0 335.404 3.462 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccsc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001171498690 1384542174 /nfs/dbraw/zinc/54/21/74/1384542174.db2.gz MCFDNFTWMYCTMB-GXFFZTMASA-N 0 0 327.365 3.424 10 5 EGBERN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001175523589 1385320325 /nfs/dbraw/zinc/32/03/25/1385320325.db2.gz TUUUCUNCPTWYKH-HNNXBMFYSA-N 0 0 330.315 3.125 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC001318951625 1385893865 /nfs/dbraw/zinc/89/38/65/1385893865.db2.gz PSBAQHOOIUPXBA-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC=O)c2)cc1Cl ZINC001179070124 1386392485 /nfs/dbraw/zinc/39/24/85/1386392485.db2.gz JGDBYTDLTQOFAM-UHFFFAOYSA-N 0 0 333.731 3.377 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC001319940901 1386404069 /nfs/dbraw/zinc/40/40/69/1386404069.db2.gz UEJGWABJJYYTFD-CQSZACIVSA-N 0 0 346.412 3.209 10 5 EGBERN C[C@H](CNC(=O)c1c[nH]nc1-c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001179398488 1386474153 /nfs/dbraw/zinc/47/41/53/1386474153.db2.gz INJITYXWXGVAPB-LLVKDONJSA-N 0 0 340.339 3.111 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[C@H](OC)C2)cc1Cl ZINC001320668796 1386686563 /nfs/dbraw/zinc/68/65/63/1386686563.db2.gz PNVSUUMTBIDCFF-BDAKNGLRSA-N 0 0 328.752 3.014 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001322484380 1387194818 /nfs/dbraw/zinc/19/48/18/1387194818.db2.gz OSJBLVVQOSZENA-NSHDSACASA-N 0 0 346.314 3.226 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001322484379 1387194825 /nfs/dbraw/zinc/19/48/25/1387194825.db2.gz OSJBLVVQOSZENA-LLVKDONJSA-N 0 0 346.314 3.226 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCCN(c2ccccc2F)CC1 ZINC001322596390 1387211316 /nfs/dbraw/zinc/21/13/16/1387211316.db2.gz YQCFXLOPIQRIMK-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329184809 1389009790 /nfs/dbraw/zinc/00/97/90/1389009790.db2.gz RUTFYGXPLCSJCU-GFCCVEGCSA-N 0 0 344.367 3.160 10 5 EGBERN O=C(NCCC1SCCS1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001329429195 1389108139 /nfs/dbraw/zinc/10/81/39/1389108139.db2.gz UGMDPESREWJANO-UHFFFAOYSA-N 0 0 337.426 3.002 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccc2c1COCC2 ZINC001329542612 1389150099 /nfs/dbraw/zinc/15/00/99/1389150099.db2.gz ICIUMANMYHRRQF-UHFFFAOYSA-N 0 0 343.335 3.033 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001329590552 1389170119 /nfs/dbraw/zinc/17/01/19/1389170119.db2.gz ZEOMJMXSPFAEDJ-DVVUODLYSA-N 0 0 330.718 3.412 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCCO1 ZINC001329939243 1389268058 /nfs/dbraw/zinc/26/80/58/1389268058.db2.gz GXIJVFCTKDCFEI-IRXDYDNUSA-N 0 0 347.415 3.010 10 5 EGBERN CC1(C)OCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330688870 1389498200 /nfs/dbraw/zinc/49/82/00/1389498200.db2.gz GSPYOSMIADCPJO-VIFPVBQESA-N 0 0 336.779 3.418 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330704674 1389503353 /nfs/dbraw/zinc/50/33/53/1389503353.db2.gz OLNUONJLJVWZLI-IEBDPFPHSA-N 0 0 341.314 3.159 10 5 EGBERN C[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233426 1390058344 /nfs/dbraw/zinc/05/83/44/1390058344.db2.gz XGCPNQAQTLKOPK-OLZOCXBDSA-N 0 0 337.395 3.033 10 5 EGBERN COc1cncc(/C=C\CCSCCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001332269287 1390070766 /nfs/dbraw/zinc/07/07/66/1390070766.db2.gz GZMBLWJFBRXNMK-HYXAFXHYSA-N 0 0 348.428 3.340 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[C@H](C(F)(F)F)O1)C2 ZINC001332659013 1390144945 /nfs/dbraw/zinc/14/49/45/1390144945.db2.gz ZZNSCPYZOGMKPR-ZIAGYGMSSA-N 0 0 330.306 3.410 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001333720864 1390383207 /nfs/dbraw/zinc/38/32/07/1390383207.db2.gz FRPRCRZDJJNXDQ-GJMOJQLCSA-N 0 0 348.147 3.020 10 5 EGBERN Cc1ccc(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1Cl ZINC001344279855 1390779202 /nfs/dbraw/zinc/77/92/02/1390779202.db2.gz APEJNNXEGKQQFP-UHFFFAOYSA-N 0 0 349.774 3.243 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2CCOC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001344345133 1390785287 /nfs/dbraw/zinc/78/52/87/1390785287.db2.gz ZKEPBERYZVUKKQ-UKRRQHHQSA-N 0 0 337.372 3.211 10 5 EGBERN COc1ccc(NC(=O)NC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC001344458266 1390792633 /nfs/dbraw/zinc/79/26/33/1390792633.db2.gz CDEKDOCDRDGICK-VMPITWQZSA-N 0 0 327.340 3.438 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001344485221 1390794483 /nfs/dbraw/zinc/79/44/83/1390794483.db2.gz OGMSCBNDXQJMCC-WPRPVWTQSA-N 0 0 347.293 3.408 10 5 EGBERN CO[C@]12CCC[C@@]1(COC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC001344837745 1390818133 /nfs/dbraw/zinc/81/81/33/1390818133.db2.gz DRAFFOZSFXXPFD-ROUUACIJSA-N 0 0 349.383 3.302 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(-c2csc(C)n2)s1 ZINC001344996741 1390829562 /nfs/dbraw/zinc/82/95/62/1390829562.db2.gz AGBSIVLTLUZADP-VIFPVBQESA-N 0 0 326.399 3.392 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001345095351 1390836797 /nfs/dbraw/zinc/83/67/97/1390836797.db2.gz GLYAPXXGPNVIKT-LLVKDONJSA-N 0 0 325.340 3.207 10 5 EGBERN C[C@@H]([C@H](OC(=O)c1ccnn1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC001345232402 1390850412 /nfs/dbraw/zinc/85/04/12/1390850412.db2.gz CNSMXKKJKZIFRO-ZBEGNZNMSA-N 0 0 347.346 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001345289862 1390853508 /nfs/dbraw/zinc/85/35/08/1390853508.db2.gz ADHMQQHHXNIWKO-ZFWWWQNUSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2CCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001345488714 1390862069 /nfs/dbraw/zinc/86/20/69/1390862069.db2.gz KMCXLUVGSZXZFN-ZDUSSCGKSA-N 0 0 333.388 3.232 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001345487815 1390862155 /nfs/dbraw/zinc/86/21/55/1390862155.db2.gz BNWHXEYCXBWBCS-XJKSGUPXSA-N 0 0 333.388 3.230 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OC[C@]12CCC[C@H]1OCC2 ZINC001345635842 1390870682 /nfs/dbraw/zinc/87/06/82/1390870682.db2.gz ACMVEFBIPMLDSI-GDBMZVCRSA-N 0 0 337.397 3.189 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OC[C@@]12CCC[C@@H]1OCC2 ZINC001345635850 1390870690 /nfs/dbraw/zinc/87/06/90/1390870690.db2.gz ACMVEFBIPMLDSI-HOCLYGCPSA-N 0 0 337.397 3.189 10 5 EGBERN CCOc1ccccc1OCc1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001345664259 1390873650 /nfs/dbraw/zinc/87/36/50/1390873650.db2.gz PCNSEVKZZFCODW-UHFFFAOYSA-N 0 0 342.311 3.018 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1C=C(c2ccccc2)CCC1 ZINC001345677767 1390875452 /nfs/dbraw/zinc/87/54/52/1390875452.db2.gz YUAHAYFLRJDYMX-MRXNPFEDSA-N 0 0 341.367 3.279 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC001345693782 1390877336 /nfs/dbraw/zinc/87/73/36/1390877336.db2.gz KCNWHNPUTDQZEA-CQSZACIVSA-N 0 0 336.388 3.192 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)OCC1([C@H]2CCCCO2)CCC1 ZINC001346187532 1390914028 /nfs/dbraw/zinc/91/40/28/1390914028.db2.gz XUHXNBNUXRRNAN-MRXNPFEDSA-N 0 0 349.383 3.256 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC001346198072 1390914626 /nfs/dbraw/zinc/91/46/26/1390914626.db2.gz RCOUQSHDRCHXIC-LBPRGKRZSA-N 0 0 348.380 3.213 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001346428361 1390936408 /nfs/dbraw/zinc/93/64/08/1390936408.db2.gz WOXJYPAKTQQRRY-DLBZAZTESA-N 0 0 347.415 3.146 10 5 EGBERN Cn1ccnc1[C@@H](NC1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001346869002 1390983472 /nfs/dbraw/zinc/98/34/72/1390983472.db2.gz PQMQLJWISJTGTE-UGWHAMFMSA-N 0 0 348.353 3.195 10 5 EGBERN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001347877450 1391139885 /nfs/dbraw/zinc/13/98/85/1391139885.db2.gz JYUSUFWSBZSDFP-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OCC1CC2(C1)CC1(CCC1)C2 ZINC001348013574 1391159819 /nfs/dbraw/zinc/15/98/19/1391159819.db2.gz PFGPKNSVBMCGGL-UHFFFAOYSA-N 0 0 333.388 3.003 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc2scnc21 ZINC001349030814 1391297534 /nfs/dbraw/zinc/29/75/34/1391297534.db2.gz WGXJXNHDYIXUQH-UHFFFAOYSA-N 0 0 330.321 3.432 10 5 EGBERN COc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001349321387 1391320933 /nfs/dbraw/zinc/32/09/33/1391320933.db2.gz GDUSFCYRBIUALD-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN CC(C)(O)C1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001349552884 1391340378 /nfs/dbraw/zinc/34/03/78/1391340378.db2.gz DMBMYALICLRMRD-UHFFFAOYSA-N 0 0 346.427 3.057 10 5 EGBERN COC(=O)c1ccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001349899556 1391383099 /nfs/dbraw/zinc/38/30/99/1391383099.db2.gz PDGJJKVVRINDJP-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)c1C ZINC001350069193 1391406086 /nfs/dbraw/zinc/40/60/86/1391406086.db2.gz XJQVFEHYTPSQMT-CRAIPNDOSA-N 0 0 332.400 3.243 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001350145432 1391420661 /nfs/dbraw/zinc/42/06/61/1391420661.db2.gz XFQUDURBEKDZQZ-DZGCQCFKSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1cc(NC(=O)N2CCC3(CCCCO3)CC2)cc([N+](=O)[O-])c1 ZINC001350263564 1391438394 /nfs/dbraw/zinc/43/83/94/1391438394.db2.gz ZQDDKLXNWKNDJA-UHFFFAOYSA-N 0 0 333.388 3.470 10 5 EGBERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)Nc1cccc([N+](=O)[O-])c1 ZINC001350450400 1391466441 /nfs/dbraw/zinc/46/64/41/1391466441.db2.gz BKAHJRBEJNBIGB-UHFFFAOYSA-N 0 0 336.250 3.098 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccc(Cl)cc21 ZINC001351380820 1391634147 /nfs/dbraw/zinc/63/41/47/1391634147.db2.gz NEIUHSAPHCHXQD-AWEZNQCLSA-N 0 0 345.786 3.116 10 5 EGBERN C[C@H](c1ccco1)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC001351515257 1391647667 /nfs/dbraw/zinc/64/76/67/1391647667.db2.gz GHSARSFKIBTZES-SNVBAGLBSA-N 0 0 344.323 3.282 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1CCCCO1 ZINC001351738716 1391681643 /nfs/dbraw/zinc/68/16/43/1391681643.db2.gz PVRPLRKSFVPMEK-CYBMUJFWSA-N 0 0 327.764 3.293 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(C)C)cc1 ZINC001352337875 1391785622 /nfs/dbraw/zinc/78/56/22/1391785622.db2.gz VDQFKZPASAQDTJ-KRWDZBQOSA-N 0 0 343.383 3.434 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001353401692 1392004322 /nfs/dbraw/zinc/00/43/22/1392004322.db2.gz JWSIEHOXXFIHHE-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001353639900 1392056969 /nfs/dbraw/zinc/05/69/69/1392056969.db2.gz CNUHFIUFUQRCAN-LBPRGKRZSA-N 0 0 347.298 3.214 10 5 EGBERN CC[C@@H](CC(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353871089 1392104136 /nfs/dbraw/zinc/10/41/36/1392104136.db2.gz KVRPPCUPTJKOJH-HNNXBMFYSA-N 0 0 333.432 3.316 10 5 EGBERN CCOc1ccc(N(CC)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001354413554 1392142868 /nfs/dbraw/zinc/14/28/68/1392142868.db2.gz UZTRQBHHAQRSPS-UHFFFAOYSA-N 0 0 329.356 3.364 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001354669642 1392160009 /nfs/dbraw/zinc/16/00/09/1392160009.db2.gz HMFWHELHDYMHIT-ZWMNYZCKSA-N 0 0 340.383 3.320 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H]1C ZINC001354775164 1392168393 /nfs/dbraw/zinc/16/83/93/1392168393.db2.gz GTTCHZMYMQPZQP-UMVBOHGHSA-N 0 0 342.399 3.335 10 5 EGBERN Cc1c(OC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)cccc1[N+](=O)[O-] ZINC001354884734 1392175094 /nfs/dbraw/zinc/17/50/94/1392175094.db2.gz ZIGIDLUGJDSXFF-CQSZACIVSA-N 0 0 340.335 3.074 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncccc1-c1ccccn1 ZINC001355005531 1392184931 /nfs/dbraw/zinc/18/49/31/1392184931.db2.gz ZCRKRAIUEFTCJX-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN O=C(C=C1CCCCC1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001687418218 1396362771 /nfs/dbraw/zinc/36/27/71/1396362771.db2.gz AQUBARDBHCPNHD-UHFFFAOYSA-N 0 0 349.456 3.191 10 5 EGBERN C[C@H](NC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001687490897 1396393069 /nfs/dbraw/zinc/39/30/69/1396393069.db2.gz JAJOOLFWPDLQDD-NSHDSACASA-N 0 0 333.319 3.396 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001687575027 1396412622 /nfs/dbraw/zinc/41/26/22/1396412622.db2.gz CJDUOVMZIJQBSK-PBFPGSCMSA-N 0 0 343.383 3.077 10 5 EGBERN CC(C)CCCC(=O)NCC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001692335822 1405956335 /nfs/dbraw/zinc/95/63/35/1405956335.db2.gz YOOAZXKTIBVRHJ-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1[C@@H]1C[C@@H]1C ZINC001693472333 1406019116 /nfs/dbraw/zinc/01/91/16/1406019116.db2.gz UQQHNRBWMXJWIH-MEDUHNTESA-N 0 0 327.388 3.245 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1C[C@@H]1C ZINC001709038770 1417415902 /nfs/dbraw/zinc/41/59/02/1417415902.db2.gz VERZZMXTOJNFOV-JSGCOSHPSA-N 0 0 329.404 3.041 10 5 EGBERN CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001713708416 1418467628 /nfs/dbraw/zinc/46/76/28/1418467628.db2.gz YAFZCMMVEMIULA-CDSGDHGGSA-N 0 0 343.427 3.126 10 5 EGBERN O=C(CC1=CCCCC1)NCC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001714958807 1419699367 /nfs/dbraw/zinc/69/93/67/1419699367.db2.gz AONXJHMAZLCVBN-UHFFFAOYSA-N 0 0 349.456 3.095 10 5 EGBERN CC(C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)=C1CCCC1 ZINC001733240807 1429383114 /nfs/dbraw/zinc/38/31/14/1429383114.db2.gz KUOPSAOALUQKPP-UHFFFAOYSA-N 0 0 349.456 3.285 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001726483340 1427062797 /nfs/dbraw/zinc/06/27/97/1427062797.db2.gz HPQHVBWWZVICSS-JSGCOSHPSA-N 0 0 341.415 3.498 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCCC1 ZINC001771312318 1441414256 /nfs/dbraw/zinc/41/42/56/1441414256.db2.gz SARCGWVKPXGNMR-UHFFFAOYSA-N 0 0 331.376 3.041 10 5 EGBERN CNC(=O)c1ccc(N2CCCC[C@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000089391822 290627461 /nfs/dbraw/zinc/62/74/61/290627461.db2.gz VYCFHIZMLCXNQN-ZDUSSCGKSA-N 0 0 346.412 3.143 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000344528036 282167537 /nfs/dbraw/zinc/16/75/37/282167537.db2.gz MJGDKJUNAFXKEV-SNVBAGLBSA-N 0 0 347.321 3.336 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000182512732 529548516 /nfs/dbraw/zinc/54/85/16/529548516.db2.gz UPUFDDMZXBYLER-BMIGLBTASA-N 0 0 330.388 3.306 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)o1 ZINC000020922597 202059027 /nfs/dbraw/zinc/05/90/27/202059027.db2.gz YUEJACWBNLXFHW-UHFFFAOYSA-N 0 0 343.383 3.369 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccccc1 ZINC000020946096 202059802 /nfs/dbraw/zinc/05/98/02/202059802.db2.gz LRLOIRARBULJTD-QGZVFWFLSA-N 0 0 325.324 3.008 10 5 EGBERN COc1cc([N+](=O)[O-])c(/C=C/[N+](=O)[O-])cc1OCc1ccccc1 ZINC000022062211 202078921 /nfs/dbraw/zinc/07/89/21/202078921.db2.gz XRFYSIFSBQNIGY-BQYQJAHWSA-N 0 0 330.296 3.430 10 5 in-vitro EGBERN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2Cl)c1 ZINC000037975659 202072045 /nfs/dbraw/zinc/07/20/45/202072045.db2.gz VKBYDNMTQQIFEG-UHFFFAOYSA-N 0 0 348.167 3.097 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000021920814 202074968 /nfs/dbraw/zinc/07/49/68/202074968.db2.gz ACBCRNWERZZORV-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1ccccc1OCCN(C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024236676 202115228 /nfs/dbraw/zinc/11/52/28/202115228.db2.gz HNTJLLCUDMKGGQ-UHFFFAOYSA-N 0 0 329.356 3.446 10 5 EGBERN CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000025746406 202135853 /nfs/dbraw/zinc/13/58/53/202135853.db2.gz CWKJRIUYIYUXAR-UHFFFAOYSA-N 0 0 341.367 3.119 10 5 EGBERN O=[N+]([O-])c1cn(Cc2nc3ccccc3c(-c3ccccc3)n2)cn1 ZINC000026124830 202139313 /nfs/dbraw/zinc/13/93/13/202139313.db2.gz HGGIFIGRPSLFDE-UHFFFAOYSA-N 0 0 331.335 3.450 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000106696915 283288185 /nfs/dbraw/zinc/28/81/85/283288185.db2.gz ZFAJURISSQXXIG-GFCCVEGCSA-N 0 0 326.418 3.386 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000374517384 168777125 /nfs/dbraw/zinc/77/71/25/168777125.db2.gz BQGDNKDNUJCFJA-QGZVFWFLSA-N 0 0 332.306 3.445 10 5 EGBERN CN(C)c1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588621 202454573 /nfs/dbraw/zinc/45/45/73/202454573.db2.gz AODUXOCWJFFVDK-UHFFFAOYSA-N 0 0 327.266 3.213 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2SCc1ccccc1 ZINC000000169965 201443432 /nfs/dbraw/zinc/44/34/32/201443432.db2.gz LMIUJUNCERPCJI-AWEZNQCLSA-N 0 0 335.406 3.357 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1OC(F)F ZINC000358869264 241888411 /nfs/dbraw/zinc/88/84/11/241888411.db2.gz DRVQZZHANAFCLE-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000359087205 241897919 /nfs/dbraw/zinc/89/79/19/241897919.db2.gz XFTQXCJUTKYGMH-UHFFFAOYSA-N 0 0 342.399 3.298 10 5 EGBERN C[C@@H]1CCN(c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000241590551 242996336 /nfs/dbraw/zinc/99/63/36/242996336.db2.gz PFXBRGHAWPQYIE-CYBMUJFWSA-N 0 0 340.383 3.113 10 5 EGBERN CC(C)n1cnnc1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000070040572 203073038 /nfs/dbraw/zinc/07/30/38/203073038.db2.gz IJULGVQRVMOGJD-UHFFFAOYSA-N 0 0 343.309 3.441 10 5 EGBERN Cc1ccc(Oc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cn1 ZINC000072280814 203190058 /nfs/dbraw/zinc/19/00/58/203190058.db2.gz AHDOAPSMUISVEF-UHFFFAOYSA-N 0 0 338.323 3.055 10 5 EGBERN Cc1c2c(sc1NC(=O)CCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000073115125 203257040 /nfs/dbraw/zinc/25/70/40/203257040.db2.gz KEIFBYYDBYTFFQ-UHFFFAOYSA-N 0 0 334.401 3.069 10 5 EGBERN CC(C)(C)NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089605742 203583482 /nfs/dbraw/zinc/58/34/82/203583482.db2.gz QAJJBVXZQADQAT-UHFFFAOYSA-N 0 0 349.412 3.398 10 5 EGBERN Cc1ccc2[nH]c(=NC(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 ZINC000095581875 203763935 /nfs/dbraw/zinc/76/39/35/203763935.db2.gz IIKUXMGARNKBQK-UHFFFAOYSA-N 0 0 330.731 3.107 10 5 EGBERN Cc1nn([C@H](C)c2cccc([N+](=O)[O-])c2)c(N)c1Br ZINC000043668467 204287495 /nfs/dbraw/zinc/28/74/95/204287495.db2.gz SMYLTZXTWGRZBG-MRVPVSSYSA-N 0 0 325.166 3.054 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1[C@@H]2CCCC[C@H]12 ZINC000079388199 284286435 /nfs/dbraw/zinc/28/64/35/284286435.db2.gz NKQRCEOGANLGPM-SOSAQKQKSA-N 0 0 332.356 3.131 10 5 EGBERN Cc1c(CC(=O)N2CCO[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000129969729 205218324 /nfs/dbraw/zinc/21/83/24/205218324.db2.gz RXKZEZLGGVSIMP-INIZCTEOSA-N 0 0 346.408 3.107 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000268122116 296217192 /nfs/dbraw/zinc/21/71/92/296217192.db2.gz BKDBRSCJHYUQKS-UHFFFAOYSA-N 0 0 344.342 3.459 10 5 EGBERN COc1ccc(CN2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000157914926 206161738 /nfs/dbraw/zinc/16/17/38/206161738.db2.gz UXPRFBJOHOUBAG-HNNXBMFYSA-N 0 0 334.397 3.238 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C1CC1 ZINC000363244999 296226705 /nfs/dbraw/zinc/22/67/05/296226705.db2.gz DHQTUKFVAKMTDF-CYBMUJFWSA-N 0 0 339.189 3.372 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)C ZINC000161110265 206327432 /nfs/dbraw/zinc/32/74/32/206327432.db2.gz KMMIXAOZQFQCGW-NSHDSACASA-N 0 0 326.418 3.108 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000378388639 169112823 /nfs/dbraw/zinc/11/28/23/169112823.db2.gz OSOAONYTYCJQBK-SJLPKXTDSA-N 0 0 340.379 3.411 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1Cc1ccccc1 ZINC000370514031 284668804 /nfs/dbraw/zinc/66/88/04/284668804.db2.gz LMBGJECJEFFWMX-HNNXBMFYSA-N 0 0 325.368 3.227 10 5 EGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000007982939 210875171 /nfs/dbraw/zinc/87/51/71/210875171.db2.gz MHHGOXUVDMHPQQ-LBPRGKRZSA-N 0 0 343.449 3.082 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1OC ZINC000175449825 207128106 /nfs/dbraw/zinc/12/81/06/207128106.db2.gz BJJBQEKSZIACJA-NWDGAFQWSA-N 0 0 336.388 3.263 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000176146619 207195128 /nfs/dbraw/zinc/19/51/28/207195128.db2.gz QYFJDBYLTRKWLM-NWDGAFQWSA-N 0 0 336.413 3.329 10 5 EGBERN CC[C@@H](NC(=O)NCCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000176166377 207196749 /nfs/dbraw/zinc/19/67/49/207196749.db2.gz YKQLYKFRDARTFR-MRXNPFEDSA-N 0 0 346.387 3.193 10 5 EGBERN CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187604175 533460297 /nfs/dbraw/zinc/46/02/97/533460297.db2.gz AZVBAIMEQLLDAM-DVOMOZLQSA-N 0 0 335.404 3.031 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cccnc2-n2ccnc2)c(Cl)c1 ZINC000030587476 140798342 /nfs/dbraw/zinc/79/83/42/140798342.db2.gz WMUVRWSALGZQLY-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCOc1ccccc1F ZINC000338043719 141079972 /nfs/dbraw/zinc/07/99/72/141079972.db2.gz SIKBDARYMRZVCV-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000338099133 141093457 /nfs/dbraw/zinc/09/34/57/141093457.db2.gz QFYYPBXSEIWZPA-LBPRGKRZSA-N 0 0 336.344 3.221 10 5 EGBERN Cc1nc2cc(NC(=O)NCCc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000341241259 141142918 /nfs/dbraw/zinc/14/29/18/141142918.db2.gz IRTDZARBZCYGDT-UHFFFAOYSA-N 0 0 340.339 3.409 10 5 EGBERN CC[C@H](NC(=O)c1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000346426088 141193079 /nfs/dbraw/zinc/19/30/79/141193079.db2.gz FUXMAHIFJWDXGL-INIZCTEOSA-N 0 0 332.331 3.107 10 5 EGBERN CCc1ccc([C@@H](NCc2ccn(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618938 141205943 /nfs/dbraw/zinc/20/59/43/141205943.db2.gz FZTOPAJXWCWALH-SFHVURJKSA-N 0 0 340.383 3.363 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000348161235 141240901 /nfs/dbraw/zinc/24/09/01/141240901.db2.gz QQTBZCBLGWXRFR-UHFFFAOYSA-N 0 0 344.342 3.056 10 5 EGBERN Cn1ccnc1[C@H](NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353451688 141298512 /nfs/dbraw/zinc/29/85/12/141298512.db2.gz WUKKEDHORBVONE-MRXNPFEDSA-N 0 0 342.424 3.312 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1CCO ZINC000356858899 141356409 /nfs/dbraw/zinc/35/64/09/141356409.db2.gz MFNNAWSASSWAOU-CYBMUJFWSA-N 0 0 326.780 3.015 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1C ZINC000341305033 142631317 /nfs/dbraw/zinc/63/13/17/142631317.db2.gz PSNOPNWDGZJOTO-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000343087914 142640817 /nfs/dbraw/zinc/64/08/17/142640817.db2.gz XJESZBACUAIALJ-OCCSQVGLSA-N 0 0 345.330 3.192 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000171647254 144008755 /nfs/dbraw/zinc/00/87/55/144008755.db2.gz GQCRDOSIGFCLRK-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172025561 144015058 /nfs/dbraw/zinc/01/50/58/144015058.db2.gz CKHHDDIIXSJBCE-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN CN(C(=O)c1cnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000172731602 144026756 /nfs/dbraw/zinc/02/67/56/144026756.db2.gz SLRLGJGQADNIGK-UHFFFAOYSA-N 0 0 340.364 3.390 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1cccc(O)c1 ZINC000174721127 144050854 /nfs/dbraw/zinc/05/08/54/144050854.db2.gz UPLAYCOMTYUGRF-LLVKDONJSA-N 0 0 343.339 3.430 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000184373667 144091980 /nfs/dbraw/zinc/09/19/80/144091980.db2.gz XEYUJGQMJZGJGY-GOSISDBHSA-N 0 0 348.362 3.091 10 5 EGBERN CCc1nc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184768263 144098808 /nfs/dbraw/zinc/09/88/08/144098808.db2.gz CCDOQDWPKPFPIE-ZDUSSCGKSA-N 0 0 347.440 3.499 10 5 EGBERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184923419 144101119 /nfs/dbraw/zinc/10/11/19/144101119.db2.gz UGCZTBKJPUFJJB-CABCVRRESA-N 0 0 328.372 3.320 10 5 EGBERN COc1ccccc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344716615 144213694 /nfs/dbraw/zinc/21/36/94/144213694.db2.gz NBVQORKIJFYIGO-UHFFFAOYSA-N 0 0 341.772 3.231 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000364021944 144384547 /nfs/dbraw/zinc/38/45/47/144384547.db2.gz XGRMZTYYLMSQNB-WMLDXEAASA-N 0 0 341.367 3.494 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364393478 144408446 /nfs/dbraw/zinc/40/84/46/144408446.db2.gz LHEDLKCCAGIPAF-KRWDZBQOSA-N 0 0 344.392 3.318 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369846948 144449180 /nfs/dbraw/zinc/44/91/80/144449180.db2.gz OPJBJWRXSMFEGG-CABCVRRESA-N 0 0 332.400 3.182 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cc1C ZINC000373311868 144501829 /nfs/dbraw/zinc/50/18/29/144501829.db2.gz VHWYUAUKZQWPJK-INIZCTEOSA-N 0 0 340.383 3.398 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374840966 144558912 /nfs/dbraw/zinc/55/89/12/144558912.db2.gz FLEBTCGOJFYNPL-OAHLLOKOSA-N 0 0 345.424 3.486 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000375147391 144574272 /nfs/dbraw/zinc/57/42/72/144574272.db2.gz CIZMOTFWBWERQG-ZDUSSCGKSA-N 0 0 338.379 3.321 10 5 EGBERN COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341074405 155142525 /nfs/dbraw/zinc/14/25/25/155142525.db2.gz GVZGDYWVTXHNEU-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN CN(C)c1ccccc1CN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000341097481 155155754 /nfs/dbraw/zinc/15/57/54/155155754.db2.gz XDGIXPTXSQINKB-UHFFFAOYSA-N 0 0 325.372 3.174 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000116046758 152038976 /nfs/dbraw/zinc/03/89/76/152038976.db2.gz PMIZOTOLKWJUCG-GFCCVEGCSA-N 0 0 346.339 3.182 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116039335 152039451 /nfs/dbraw/zinc/03/94/51/152039451.db2.gz GARHHPRUHFSAHE-OAHLLOKOSA-N 0 0 329.356 3.354 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000116819896 152077063 /nfs/dbraw/zinc/07/70/63/152077063.db2.gz JKPQBRURJDVZHC-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000116821782 152077527 /nfs/dbraw/zinc/07/75/27/152077527.db2.gz YHGFEWXLRALINN-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000117590046 152104227 /nfs/dbraw/zinc/10/42/27/152104227.db2.gz WSCIJWRMMSBVEB-AYVTZFPOSA-N 0 0 334.278 3.376 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OC1CCC1 ZINC000118266709 152133217 /nfs/dbraw/zinc/13/32/17/152133217.db2.gz RHVNBNPRPAHARI-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000119997609 152243336 /nfs/dbraw/zinc/24/33/36/152243336.db2.gz DNEAPYSPNQWUTP-CYBMUJFWSA-N 0 0 328.368 3.312 10 5 EGBERN CCNC(=O)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153586700 152545608 /nfs/dbraw/zinc/54/56/08/152545608.db2.gz SQTSJBFYCASDBS-UHFFFAOYSA-N 0 0 334.763 3.005 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000190637671 153153620 /nfs/dbraw/zinc/15/36/20/153153620.db2.gz WZWWCKYTGUEOER-KRWDZBQOSA-N 0 0 340.379 3.476 10 5 EGBERN CO[C@H]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191629224 153211036 /nfs/dbraw/zinc/21/10/36/153211036.db2.gz BLMFWQLEFRDQJC-MNOVXSKESA-N 0 0 344.820 3.024 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000193378577 153288670 /nfs/dbraw/zinc/28/86/70/153288670.db2.gz YBKFQYZHDYXPGV-ZDUSSCGKSA-N 0 0 340.383 3.032 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194869090 153362700 /nfs/dbraw/zinc/36/27/00/153362700.db2.gz LABFADIWYFTKHZ-CYBMUJFWSA-N 0 0 330.365 3.180 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nccnc21 ZINC000341631107 155390019 /nfs/dbraw/zinc/39/00/19/155390019.db2.gz GBXBKOQCOSSGSJ-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN Cc1cc(OCC(=O)c2ccc3c(c2)OCO3)c(F)cc1[N+](=O)[O-] ZINC000325928569 154182438 /nfs/dbraw/zinc/18/24/38/154182438.db2.gz GWCFDKRUOGTZTK-UHFFFAOYSA-N 0 0 333.271 3.033 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)c(OC)c2)c1 ZINC000328190852 154189801 /nfs/dbraw/zinc/18/98/01/154189801.db2.gz ZCYLGXFRUVYMGM-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN Cn1cc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000341712039 155440414 /nfs/dbraw/zinc/44/04/14/155440414.db2.gz JNPGVRSWAXGDII-UHFFFAOYSA-N 0 0 330.388 3.197 10 5 EGBERN C[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO[C@H]1C1CC1 ZINC000345132633 155949525 /nfs/dbraw/zinc/94/95/25/155949525.db2.gz CUKCQLHGVULYCH-WMZOPIPTSA-N 0 0 343.383 3.011 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000345443963 156108156 /nfs/dbraw/zinc/10/81/56/156108156.db2.gz KOERWSFXKHGINV-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000345458556 156115262 /nfs/dbraw/zinc/11/52/62/156115262.db2.gz KVCHUHGFZXRDQM-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc(SC)n2)cc1[N+](=O)[O-] ZINC000345481059 156124223 /nfs/dbraw/zinc/12/42/23/156124223.db2.gz KFEGOTLCOYEAJX-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN Cc1sc(C(=O)NCCCSc2ccccn2)cc1[N+](=O)[O-] ZINC000352603744 156375960 /nfs/dbraw/zinc/37/59/60/156375960.db2.gz OCIKZWXXBKTCIP-UHFFFAOYSA-N 0 0 337.426 3.272 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356436450 156688338 /nfs/dbraw/zinc/68/83/38/156688338.db2.gz TVNWVOFYNVUCHH-NSHDSACASA-N 0 0 340.788 3.082 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356439471 156690288 /nfs/dbraw/zinc/69/02/88/156690288.db2.gz VZYALYHIYOUTED-LBPRGKRZSA-N 0 0 340.788 3.082 10 5 EGBERN CC1(C2CC2)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362196212 157070370 /nfs/dbraw/zinc/07/03/70/157070370.db2.gz WJYKLXSOHLXSBJ-UHFFFAOYSA-N 0 0 338.354 3.454 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC000368675627 157262095 /nfs/dbraw/zinc/26/20/95/157262095.db2.gz MBYPTCXIUOBBEY-UEKVPHQBSA-N 0 0 337.807 3.450 10 5 EGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000372583231 157360912 /nfs/dbraw/zinc/36/09/12/157360912.db2.gz LAYLRPIHDJYFJF-UHFFFAOYSA-N 0 0 339.189 3.374 10 5 EGBERN COc1cc(N[C@H]2CCc3cnn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC000372780320 157383222 /nfs/dbraw/zinc/38/32/22/157383222.db2.gz HQZGZDLWILRILL-ZDUSSCGKSA-N 0 0 330.388 3.350 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C(=O)NC(C)C ZINC000075679468 161707870 /nfs/dbraw/zinc/70/78/70/161707870.db2.gz MSNDQPSXBPMSRC-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088232396 161868601 /nfs/dbraw/zinc/86/86/01/161868601.db2.gz JZOUKSPUXPDWNV-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000108415341 162081477 /nfs/dbraw/zinc/08/14/77/162081477.db2.gz UUILWMGRALVZQJ-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN Nc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)cc1[N+](=O)[O-] ZINC000109127164 162095218 /nfs/dbraw/zinc/09/52/18/162095218.db2.gz CJFJEZRKKQZMLF-UHFFFAOYSA-N 0 0 347.381 3.009 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cccc([C@@H](C)OC)c2)c1[N+](=O)[O-] ZINC000109621808 162108916 /nfs/dbraw/zinc/10/89/16/162108916.db2.gz PJSYSJOVDCJNFZ-SNVBAGLBSA-N 0 0 332.360 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112164212 162163983 /nfs/dbraw/zinc/16/39/83/162163983.db2.gz NZOLSTAEXMFCCP-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000126324835 162299146 /nfs/dbraw/zinc/29/91/46/162299146.db2.gz RTHMKYGMDVEFNA-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126494598 162305821 /nfs/dbraw/zinc/30/58/21/162305821.db2.gz FTALGVCSXKYHIJ-INIZCTEOSA-N 0 0 334.397 3.109 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131356174 162399260 /nfs/dbraw/zinc/39/92/60/162399260.db2.gz BQOUZOVGVTWHHJ-UHFFFAOYSA-N 0 0 336.779 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCc1ccccn1 ZINC000179907127 162713992 /nfs/dbraw/zinc/71/39/92/162713992.db2.gz FJKORZVBNPPDNT-UHFFFAOYSA-N 0 0 327.384 3.278 10 5 EGBERN O=C(c1cnc2cnccc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000336975910 163096249 /nfs/dbraw/zinc/09/62/49/163096249.db2.gz WIMNXURMQJIKQJ-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1cc(NCC[C@@H](C)[S@@](C)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338680691 163318022 /nfs/dbraw/zinc/31/80/22/163318022.db2.gz ISUDHYZFGNBUCC-PVBMHHQDSA-N 0 0 338.351 3.491 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000340968951 163704981 /nfs/dbraw/zinc/70/49/81/163704981.db2.gz ZAZCFQYAYDYLHJ-LBPRGKRZSA-N 0 0 331.372 3.317 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1C ZINC000354763773 166025701 /nfs/dbraw/zinc/02/57/01/166025701.db2.gz DIXCLWPGWBTCIF-HUUCEWRRSA-N 0 0 346.408 3.046 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1c(F)cc(F)cc1F ZINC000342360214 163857113 /nfs/dbraw/zinc/85/71/13/163857113.db2.gz BEPLNVBLVSAYSM-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000342361177 163857951 /nfs/dbraw/zinc/85/79/51/163857951.db2.gz RRHLUGNFNMAMJN-NSHDSACASA-N 0 0 349.215 3.235 10 5 EGBERN Cc1cc(NC(=O)c2ncsc2Br)ccc1[N+](=O)[O-] ZINC000343848048 164049928 /nfs/dbraw/zinc/04/99/28/164049928.db2.gz VLKYUVHBRYGYLM-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN COc1cc(N(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000343856395 164051271 /nfs/dbraw/zinc/05/12/71/164051271.db2.gz UTXPAMVSJBOUCG-LLVKDONJSA-N 0 0 348.330 3.019 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC(C)(C)C1 ZINC000344183398 164121727 /nfs/dbraw/zinc/12/17/27/164121727.db2.gz AHNQRLHBIDXZDB-SNVBAGLBSA-N 0 0 326.343 3.453 10 5 EGBERN CC(C)c1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)nn1C(C)(C)C ZINC000344196782 164124416 /nfs/dbraw/zinc/12/44/16/164124416.db2.gz DXYLEFAXLMHZDR-UHFFFAOYSA-N 0 0 345.403 3.341 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344220751 164130158 /nfs/dbraw/zinc/13/01/58/164130158.db2.gz WMGOKMSMPBGFQC-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000344261305 164140083 /nfs/dbraw/zinc/14/00/83/164140083.db2.gz WZINZKJTDICEKX-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN CSCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680412 164241661 /nfs/dbraw/zinc/24/16/61/164241661.db2.gz FCUARUICFYMKHP-CQSZACIVSA-N 0 0 326.443 3.312 10 5 EGBERN CCN(CCC1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000354877206 166053452 /nfs/dbraw/zinc/05/34/52/166053452.db2.gz GJFUPPCUMKNELX-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000348826765 164827267 /nfs/dbraw/zinc/82/72/67/164827267.db2.gz GHDXNRDPWLCPRX-CQSZACIVSA-N 0 0 342.399 3.058 10 5 EGBERN COc1ccc(F)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000350220546 165019463 /nfs/dbraw/zinc/01/94/63/165019463.db2.gz NSZFOVFBMSTXFN-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN O=C(NCCSCC(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354979609 166077840 /nfs/dbraw/zinc/07/78/40/166077840.db2.gz SZWDQNWSYIWQNG-UHFFFAOYSA-N 0 0 347.318 3.101 10 5 EGBERN COc1cc(COc2ccc3c(c2)CCCC(=O)N3)ccc1[N+](=O)[O-] ZINC000351900286 165141674 /nfs/dbraw/zinc/14/16/74/165141674.db2.gz YATUVSRBCGUTDA-UHFFFAOYSA-N 0 0 342.351 3.457 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000355001745 166084027 /nfs/dbraw/zinc/08/40/27/166084027.db2.gz ZBCXVJZCCQETAQ-UHFFFAOYSA-N 0 0 337.379 3.241 10 5 EGBERN CCc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000352042227 165206617 /nfs/dbraw/zinc/20/66/17/165206617.db2.gz LMUXMBUMRUMIRX-UHFFFAOYSA-N 0 0 333.413 3.208 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000352048551 165209752 /nfs/dbraw/zinc/20/97/52/165209752.db2.gz PPHXMYAMZCBEST-MRXNPFEDSA-N 0 0 349.314 3.173 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)(C2CC2)CC1 ZINC000352192390 165276880 /nfs/dbraw/zinc/27/68/80/165276880.db2.gz USXADWDMYAAZMJ-CYBMUJFWSA-N 0 0 331.416 3.434 10 5 EGBERN CNc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000352216805 165289671 /nfs/dbraw/zinc/28/96/71/165289671.db2.gz LFLKXBPAZHYCMQ-WCBMZHEXSA-N 0 0 331.294 3.049 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000352281743 165325353 /nfs/dbraw/zinc/32/53/53/165325353.db2.gz VODCIPLPVDWCKT-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN COc1cc(CNc2ccccc2N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000352289802 165326224 /nfs/dbraw/zinc/32/62/24/165326224.db2.gz LSWGSNFXNOYQPP-UHFFFAOYSA-N 0 0 341.367 3.342 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1coc(-c3cccs3)n1)CC2 ZINC000353032141 165589671 /nfs/dbraw/zinc/58/96/71/165589671.db2.gz FLWIPRUOYOSWON-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000355318883 166163231 /nfs/dbraw/zinc/16/32/31/166163231.db2.gz LMPCRAPMPBDIBG-YUTCNCBUSA-N 0 0 345.380 3.082 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355407161 166187130 /nfs/dbraw/zinc/18/71/30/166187130.db2.gz UMGNQZQDPKDLSZ-AWEZNQCLSA-N 0 0 345.424 3.003 10 5 EGBERN COc1cc(F)c(F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000355422549 166194109 /nfs/dbraw/zinc/19/41/09/166194109.db2.gz CBZJHMMXAYQKLE-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN Cc1nn(CCOCCOc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000355444579 166201586 /nfs/dbraw/zinc/20/15/86/166201586.db2.gz MNVWYAGIWSANQB-UHFFFAOYSA-N 0 0 341.367 3.349 10 5 EGBERN Cc1nn(CC(=O)Nc2cc(F)cc(F)c2)c2ccc([N+](=O)[O-])cc12 ZINC000355465842 166210310 /nfs/dbraw/zinc/21/03/10/166210310.db2.gz XJDIQSAHYVLBTG-UHFFFAOYSA-N 0 0 346.293 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC000355671046 166279717 /nfs/dbraw/zinc/27/97/17/166279717.db2.gz LYMXWLKXMZJOND-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN Cn1cc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(F)cc2)cn1 ZINC000355733403 166292751 /nfs/dbraw/zinc/29/27/51/166292751.db2.gz KZGJVWHMUOJPHB-MRXNPFEDSA-N 0 0 327.319 3.064 10 5 EGBERN COc1ccc(OCc2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000355871009 166334126 /nfs/dbraw/zinc/33/41/26/166334126.db2.gz FTKFUQLTBJHPJK-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000355878436 166335855 /nfs/dbraw/zinc/33/58/55/166335855.db2.gz HYBVDLKLPFOEMM-UHFFFAOYSA-N 0 0 349.343 3.040 10 5 EGBERN CCOc1cccnc1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000355955496 166358753 /nfs/dbraw/zinc/35/87/53/166358753.db2.gz DIMHGDKWCFUASP-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN CSc1ccc(C(=O)N2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000356747020 166498865 /nfs/dbraw/zinc/49/88/65/166498865.db2.gz RVPXPIWBLJEVCX-CYBMUJFWSA-N 0 0 338.429 3.084 10 5 EGBERN O=C(Nc1cccc2[nH]c(=O)oc21)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356810026 166516155 /nfs/dbraw/zinc/51/61/55/166516155.db2.gz UBJRJHVERXZMAM-UHFFFAOYSA-N 0 0 338.279 3.175 10 5 EGBERN COCCC(C)(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356866893 166518641 /nfs/dbraw/zinc/51/86/41/166518641.db2.gz RQCBJXWGRREMPV-UHFFFAOYSA-N 0 0 345.193 3.359 10 5 EGBERN COC1CCC(Cc2noc(COc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000357737118 166760188 /nfs/dbraw/zinc/76/01/88/166760188.db2.gz FAJSMMAUVSFQFA-UHFFFAOYSA-N 0 0 347.371 3.305 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000358442320 166865438 /nfs/dbraw/zinc/86/54/38/166865438.db2.gz JZUKBUNIIJPARX-CVEARBPZSA-N 0 0 325.368 3.259 10 5 EGBERN O=C(NC[C@@H]1CC=CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358905607 167000772 /nfs/dbraw/zinc/00/07/72/167000772.db2.gz OENIHRYQUCYUKF-SNVBAGLBSA-N 0 0 326.299 3.282 10 5 EGBERN Nc1c(C(=O)NCc2ccc(C3CC3)cc2F)cccc1[N+](=O)[O-] ZINC000358910773 167002038 /nfs/dbraw/zinc/00/20/38/167002038.db2.gz ZUQAETOMNVEUPX-UHFFFAOYSA-N 0 0 329.331 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccnc3)n2C2CC2)cn1 ZINC000358932665 167010947 /nfs/dbraw/zinc/01/09/47/167010947.db2.gz JDCFFNOJJWNZER-UHFFFAOYSA-N 0 0 340.368 3.129 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(C)s1 ZINC000359009741 167036115 /nfs/dbraw/zinc/03/61/15/167036115.db2.gz LRWBQANPIRZBLB-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN COc1ccc(OC)c(CCNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359084982 167062311 /nfs/dbraw/zinc/06/23/11/167062311.db2.gz SFWYEMKIESGWPR-UHFFFAOYSA-N 0 0 331.372 3.278 10 5 EGBERN COc1ccc([C@H](CCO)Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359097602 167066255 /nfs/dbraw/zinc/06/62/55/167066255.db2.gz QLFFHTBMDDRADV-HNNXBMFYSA-N 0 0 331.372 3.151 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cncc(F)c1 ZINC000359103645 167067349 /nfs/dbraw/zinc/06/73/49/167067349.db2.gz UISKGMZASKGGCB-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000359180186 167089874 /nfs/dbraw/zinc/08/98/74/167089874.db2.gz XRISVNCAKBAHPO-LLVKDONJSA-N 0 0 346.387 3.009 10 5 EGBERN CC(C)N(CC(F)F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359399441 167145962 /nfs/dbraw/zinc/14/59/62/167145962.db2.gz MODXCHMSPPGTBC-UHFFFAOYSA-N 0 0 338.257 3.312 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000360278606 167288060 /nfs/dbraw/zinc/28/80/60/167288060.db2.gz ICZZUVSPWLXCKZ-NSHDSACASA-N 0 0 346.364 3.362 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000360393791 167318805 /nfs/dbraw/zinc/31/88/05/167318805.db2.gz JIIZYTVAMKWINT-SNVBAGLBSA-N 0 0 336.373 3.333 10 5 EGBERN CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000360524993 167348500 /nfs/dbraw/zinc/34/85/00/167348500.db2.gz LTOSOTXDHZAIEA-CQSZACIVSA-N 0 0 331.372 3.318 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] ZINC000360525515 167349204 /nfs/dbraw/zinc/34/92/04/167349204.db2.gz PBMPCEQINSGBAZ-INIZCTEOSA-N 0 0 346.770 3.177 10 5 EGBERN CCC1(CC)[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1OC ZINC000360650589 167379508 /nfs/dbraw/zinc/37/95/08/167379508.db2.gz YSUMHGUGEOZPSY-STQMWFEESA-N 0 0 326.418 3.288 10 5 EGBERN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000366121707 168085829 /nfs/dbraw/zinc/08/58/29/168085829.db2.gz CITXHVBKQFGYQF-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000366891427 168153231 /nfs/dbraw/zinc/15/32/31/168153231.db2.gz BKGGRLXKBOCHSP-JOCQHMNTSA-N 0 0 325.368 3.161 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367555928 168241938 /nfs/dbraw/zinc/24/19/38/168241938.db2.gz FFWCLMTVJUPCMH-AEFFLSMTSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000367563744 168242279 /nfs/dbraw/zinc/24/22/79/168242279.db2.gz MMOBAERCRFMZEB-QAPCUYQASA-N 0 0 340.379 3.411 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000367907683 168283013 /nfs/dbraw/zinc/28/30/13/168283013.db2.gz UEFXPCZBEFHBNH-ZDUSSCGKSA-N 0 0 331.397 3.476 10 5 EGBERN C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000160165957 225351628 /nfs/dbraw/zinc/35/16/28/225351628.db2.gz BRGPHXWCGVLIKY-MRXNPFEDSA-N 0 0 336.775 3.060 10 5 EGBERN Cc1sc(C(=O)Nc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000174609052 265059091 /nfs/dbraw/zinc/05/90/91/265059091.db2.gz OVSSRTGEJVFQIP-UHFFFAOYSA-N 0 0 334.332 3.243 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(OC)c1O)c1cccc([N+](=O)[O-])c1 ZINC000175457152 265116448 /nfs/dbraw/zinc/11/64/48/265116448.db2.gz GWMDXJBFAGJAEB-CQSZACIVSA-N 0 0 330.340 3.190 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1Cl ZINC000176786374 265205586 /nfs/dbraw/zinc/20/55/86/265205586.db2.gz NJJHZSIXQAYHTI-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN CCOc1cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000176952672 265217451 /nfs/dbraw/zinc/21/74/51/265217451.db2.gz WJEPWYGBPIXMCK-LBPRGKRZSA-N 0 0 336.388 3.162 10 5 EGBERN CN1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180239251 265399005 /nfs/dbraw/zinc/39/90/05/265399005.db2.gz PQVPGGIALCLWPA-OALUTQOASA-N 0 0 325.412 3.368 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000188089648 265650405 /nfs/dbraw/zinc/65/04/05/265650405.db2.gz CGDQOIOJSIGQPZ-CYBMUJFWSA-N 0 0 348.790 3.415 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000191473782 265906831 /nfs/dbraw/zinc/90/68/31/265906831.db2.gz URZLUZVIOXNLHH-LBPRGKRZSA-N 0 0 342.399 3.181 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2cccs2)cc1C ZINC000193806106 266063330 /nfs/dbraw/zinc/06/33/30/266063330.db2.gz DVFNOQIOOBAEBS-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000194721457 266140597 /nfs/dbraw/zinc/14/05/97/266140597.db2.gz SXSFJFOLBBWLBC-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1[N+](=O)[O-] ZINC000194957132 266148730 /nfs/dbraw/zinc/14/87/30/266148730.db2.gz ZJEXVNDJOIEYSC-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195068810 266159114 /nfs/dbraw/zinc/15/91/14/266159114.db2.gz UCEFLQAQKURJIB-HNNXBMFYSA-N 0 0 345.443 3.203 10 5 EGBERN CCc1nnc(C)cc1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000273621646 267070212 /nfs/dbraw/zinc/07/02/12/267070212.db2.gz QWKSODHMPAKHKA-LBPRGKRZSA-N 0 0 329.356 3.482 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000273768065 267102952 /nfs/dbraw/zinc/10/29/52/267102952.db2.gz XUALMHICCBTHGY-NOZJJQNGSA-N 0 0 349.416 3.266 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](CCO)CC(C)C ZINC000276654479 267597179 /nfs/dbraw/zinc/59/71/79/267597179.db2.gz XCXSHVWSIYHDTB-LBPRGKRZSA-N 0 0 342.823 3.331 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cc(C)c(OC)cc2C)c1[N+](=O)[O-] ZINC000278134477 267948408 /nfs/dbraw/zinc/94/84/08/267948408.db2.gz MYBHZSUQIIXNHV-UHFFFAOYSA-N 0 0 332.360 3.148 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(OC4CCCC4)CC3)nc2c1 ZINC000278363209 267996190 /nfs/dbraw/zinc/99/61/90/267996190.db2.gz CYMNLHCEDLRYGE-UHFFFAOYSA-N 0 0 330.388 3.399 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000278555059 268038489 /nfs/dbraw/zinc/03/84/89/268038489.db2.gz HULBNIDSYPYTBK-MRXNPFEDSA-N 0 0 330.388 3.442 10 5 EGBERN C[C@@H]1CCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799896 274293143 /nfs/dbraw/zinc/29/31/43/274293143.db2.gz CTPKSVNIOSLVPD-LLVKDONJSA-N 0 0 346.412 3.141 10 5 EGBERN Cc1ccn2cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)nc2c1 ZINC000348912310 274816092 /nfs/dbraw/zinc/81/60/92/274816092.db2.gz RXWDKILMTUALOE-LBPRGKRZSA-N 0 0 336.351 3.142 10 5 EGBERN O=[N+]([O-])c1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000004116750 275037153 /nfs/dbraw/zinc/03/71/53/275037153.db2.gz ZOAYBRYSCPLDRD-UHFFFAOYSA-N 0 0 335.663 3.436 10 5 EGBERN O=c1[nH]c(N2Cc3ccccc3C3(CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367419221 275039014 /nfs/dbraw/zinc/03/90/14/275039014.db2.gz MSDNXVBKYPJNNW-UHFFFAOYSA-N 0 0 348.362 3.295 10 5 EGBERN Cc1cccc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000103463439 275162350 /nfs/dbraw/zinc/16/23/50/275162350.db2.gz NTHDRCMLGRSBDI-UHFFFAOYSA-N 0 0 336.351 3.405 10 5 EGBERN COC(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000107416909 275172201 /nfs/dbraw/zinc/17/22/01/275172201.db2.gz XCYQUDDALHRZEJ-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000110591013 275181168 /nfs/dbraw/zinc/18/11/68/275181168.db2.gz PHAIXBOJAWQWLX-UHFFFAOYSA-N 0 0 338.410 3.106 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000174503796 275199168 /nfs/dbraw/zinc/19/91/68/275199168.db2.gz ZEQKRYMCZQECJU-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN O=C(Nc1ccc2cc[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000194848682 275227976 /nfs/dbraw/zinc/22/79/76/275227976.db2.gz WYUSRCREWBCLAL-UHFFFAOYSA-N 0 0 325.280 3.057 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000280288749 275432410 /nfs/dbraw/zinc/43/24/10/275432410.db2.gz UEYQZPNUBMNFBR-UHFFFAOYSA-N 0 0 341.371 3.045 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000280910149 275505834 /nfs/dbraw/zinc/50/58/34/275505834.db2.gz AGIAJPJWEXQUPB-DTJGQCLQSA-N 0 0 344.415 3.237 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281126263 275524169 /nfs/dbraw/zinc/52/41/69/275524169.db2.gz SVJLSTPOFKLQED-HNNXBMFYSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000281315189 275539424 /nfs/dbraw/zinc/53/94/24/275539424.db2.gz PQGPRWIXLHQOCC-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000281911973 275587784 /nfs/dbraw/zinc/58/77/84/275587784.db2.gz PWARTBWFWRTHIG-NORZTCDRSA-N 0 0 338.379 3.262 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282591017 275651390 /nfs/dbraw/zinc/65/13/90/275651390.db2.gz WYFAYBWETDLOCQ-UWVGGRQHSA-N 0 0 343.221 3.091 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1CC(F)F ZINC000286351045 275986212 /nfs/dbraw/zinc/98/62/12/275986212.db2.gz GZEVDXDSVPGAOQ-CQSZACIVSA-N 0 0 344.358 3.238 10 5 EGBERN COC1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCC1 ZINC000286749911 276039835 /nfs/dbraw/zinc/03/98/35/276039835.db2.gz GTXFZXSOJCGGNF-UHFFFAOYSA-N 0 0 332.360 3.005 10 5 EGBERN CC(=O)c1cc(N2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000287758318 276154654 /nfs/dbraw/zinc/15/46/54/276154654.db2.gz HEVBUEYTNKOJBY-OAHLLOKOSA-N 0 0 332.381 3.437 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000287791897 276157550 /nfs/dbraw/zinc/15/75/50/276157550.db2.gz WBIDYTAHPSWLOC-SWLSCSKDSA-N 0 0 337.445 3.488 10 5 EGBERN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000288228503 276192779 /nfs/dbraw/zinc/19/27/79/276192779.db2.gz FBTFKDNEWQJUDH-YOEHRIQHSA-N 0 0 342.399 3.181 10 5 EGBERN Cc1ccc(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c(Cl)n1 ZINC000288404611 276210344 /nfs/dbraw/zinc/21/03/44/276210344.db2.gz IGJKZPDQTIUVQL-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN CN(C(=O)C[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000288587261 276231382 /nfs/dbraw/zinc/23/13/82/276231382.db2.gz CTUXQOCMTJUWPF-CQSZACIVSA-N 0 0 325.368 3.463 10 5 EGBERN CN(Cc1noc(Cc2ccccc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000345381084 276868502 /nfs/dbraw/zinc/86/85/02/276868502.db2.gz OEYDDCAAYRLNFJ-UHFFFAOYSA-N 0 0 338.367 3.201 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000121340172 277205726 /nfs/dbraw/zinc/20/57/26/277205726.db2.gz ACIZYRDUTDESKI-LBPRGKRZSA-N 0 0 326.418 3.353 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000601224037 460756388 /nfs/dbraw/zinc/75/63/88/460756388.db2.gz XDSNZBDFAKZJON-QXFUBDJGSA-N 0 0 328.752 3.013 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1OCCc2ccccc21 ZINC000137256061 279012893 /nfs/dbraw/zinc/01/28/93/279012893.db2.gz KXIRTJFZDGAQGW-XIKOKIGWSA-N 0 0 338.363 3.186 10 5 EGBERN Cc1cnn([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC000112080733 279034511 /nfs/dbraw/zinc/03/45/11/279034511.db2.gz LZQCKVPUVJACBG-CQSZACIVSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000177953650 279282648 /nfs/dbraw/zinc/28/26/48/279282648.db2.gz YVLKGNXLJHIUMG-RISCZKNCSA-N 0 0 326.418 3.146 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000374641680 280658650 /nfs/dbraw/zinc/65/86/50/280658650.db2.gz HAVQEKCBJOXQDH-ZDUSSCGKSA-N 0 0 334.278 3.045 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000374539441 281377806 /nfs/dbraw/zinc/37/78/06/281377806.db2.gz WQRXEBVMVAPWPC-QGZVFWFLSA-N 0 0 341.346 3.021 10 5 EGBERN Cc1cn2c(n1)CN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000363698391 281544982 /nfs/dbraw/zinc/54/49/82/281544982.db2.gz UBPYDFRFTRKWKF-UHFFFAOYSA-N 0 0 327.171 3.427 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000370621605 294070231 /nfs/dbraw/zinc/07/02/31/294070231.db2.gz GIYJKVHWAHZDMX-LBPRGKRZSA-N 0 0 334.401 3.066 10 5 EGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000408110655 300294468 /nfs/dbraw/zinc/29/44/68/300294468.db2.gz TUFZUYRZIPZFKL-FFVOIRBGSA-N 0 0 337.228 3.106 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C(F)F ZINC000337302727 303638810 /nfs/dbraw/zinc/63/88/10/303638810.db2.gz RPPQHFRPUTZFJK-LLVKDONJSA-N 0 0 330.356 3.333 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000064242814 307356782 /nfs/dbraw/zinc/35/67/82/307356782.db2.gz RZIQTCHBWYHUCB-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1c1ccccc1 ZINC000067502664 307365992 /nfs/dbraw/zinc/36/59/92/307365992.db2.gz CVGWXVACQNJASE-HOTGVXAUSA-N 0 0 328.393 3.359 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000113850517 307477286 /nfs/dbraw/zinc/47/72/86/307477286.db2.gz HICIHZMDAPTTDS-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN COCC1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000413958438 309054235 /nfs/dbraw/zinc/05/42/35/309054235.db2.gz RAAQHFAQRXAHHE-UHFFFAOYSA-N 0 0 340.807 3.492 10 5 EGBERN CC(C)(C)c1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cs1 ZINC000125001762 307552914 /nfs/dbraw/zinc/55/29/14/307552914.db2.gz KHTCAYXHTSEHAR-UHFFFAOYSA-N 0 0 327.793 3.212 10 5 EGBERN COCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000129582265 307616937 /nfs/dbraw/zinc/61/69/37/307616937.db2.gz LYVMUSPYTULZFG-UHFFFAOYSA-N 0 0 330.340 3.139 10 5 EGBERN CC(C)CN(CC(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151938415 307742046 /nfs/dbraw/zinc/74/20/46/307742046.db2.gz FQYQKDRBVUIDRO-UHFFFAOYSA-N 0 0 328.434 3.039 10 5 EGBERN CC(C)(C)CCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153288498 307769837 /nfs/dbraw/zinc/76/98/37/307769837.db2.gz VLIQWSJGFVRUTF-UHFFFAOYSA-N 0 0 328.434 3.231 10 5 EGBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000155365456 307813170 /nfs/dbraw/zinc/81/31/70/307813170.db2.gz HOXSNQHEXVDONY-KGLIPLIRSA-N 0 0 348.424 3.206 10 5 EGBERN CCc1noc(C)c1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000292830942 308070372 /nfs/dbraw/zinc/07/03/72/308070372.db2.gz PTHWCUBUOXBTCE-SOFGYWHQSA-N 0 0 345.355 3.252 10 5 EGBERN CCOc1cc(Oc2ncnc3c2ncn3C2CC2)ccc1[N+](=O)[O-] ZINC000292888388 308076607 /nfs/dbraw/zinc/07/66/07/308076607.db2.gz ZRGPWBRCTPXDJA-UHFFFAOYSA-N 0 0 341.327 3.260 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292947698 308083049 /nfs/dbraw/zinc/08/30/49/308083049.db2.gz BJLNVNSCDLUIJW-JQWIXIFHSA-N 0 0 344.314 3.340 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1cccc(C(F)(F)F)n1 ZINC000292991338 308087798 /nfs/dbraw/zinc/08/77/98/308087798.db2.gz IPJADZNPJAIQJM-UHFFFAOYSA-N 0 0 343.309 3.188 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCC[C@@H]3OC)n2)c1 ZINC000293093152 308098913 /nfs/dbraw/zinc/09/89/13/308098913.db2.gz FFRVFIBQWVTECG-ZFWWWQNUSA-N 0 0 347.371 3.250 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414476425 309082964 /nfs/dbraw/zinc/08/29/64/309082964.db2.gz XPKBMZNBVCMBOV-DOMZBBRYSA-N 0 0 332.381 3.199 10 5 EGBERN Cc1ccc(CN(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000294286308 308207037 /nfs/dbraw/zinc/20/70/37/308207037.db2.gz HRDNSDRLWOIRED-UHFFFAOYSA-N 0 0 330.340 3.118 10 5 EGBERN CC(C)(CCC(=O)N[C@H]1CCCc2c(F)cc(F)cc21)[N+](=O)[O-] ZINC000295643720 308346454 /nfs/dbraw/zinc/34/64/54/308346454.db2.gz UBRBNOGGKLHXNI-AWEZNQCLSA-N 0 0 326.343 3.294 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCC(O)CC2)CC1 ZINC000296415153 308424778 /nfs/dbraw/zinc/42/47/78/308424778.db2.gz RGOJYBJOXNJVLG-UHFFFAOYSA-N 0 0 333.388 3.144 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000296967228 308484960 /nfs/dbraw/zinc/48/49/60/308484960.db2.gz PSSBLCSBHBIMSS-JGVFFNPUSA-N 0 0 349.284 3.119 10 5 EGBERN CC(C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301102645 308688295 /nfs/dbraw/zinc/68/82/95/308688295.db2.gz RTXQIDPEFGDGGE-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN CC(C)(C)c1ccc2c(c1)CCN2c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301133979 308689381 /nfs/dbraw/zinc/68/93/81/308689381.db2.gz WHHDYXRWLPUKBE-UHFFFAOYSA-N 0 0 340.383 3.080 10 5 EGBERN Cc1cccc([C@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1C ZINC000301307213 308695935 /nfs/dbraw/zinc/69/59/35/308695935.db2.gz VMIFACLIKIXDPH-ZDUSSCGKSA-N 0 0 338.367 3.393 10 5 EGBERN Cc1cccc([C@@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1C ZINC000301307212 308695964 /nfs/dbraw/zinc/69/59/64/308695964.db2.gz VMIFACLIKIXDPH-CYBMUJFWSA-N 0 0 338.367 3.393 10 5 EGBERN O=c1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000301330481 308696717 /nfs/dbraw/zinc/69/67/17/308696717.db2.gz DIYYYCYBRDUETM-UHFFFAOYSA-N 0 0 340.295 3.369 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000301491554 308702368 /nfs/dbraw/zinc/70/23/68/308702368.db2.gz NRUBBAONQYDRSZ-REQWGJQJSA-N 0 0 348.399 3.134 10 5 EGBERN CCS[C@@H]1CC[C@]1(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301493544 308702526 /nfs/dbraw/zinc/70/25/26/308702526.db2.gz QTRZKJZDLZIAMQ-ZBFHGGJFSA-N 0 0 333.413 3.202 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301629502 308708093 /nfs/dbraw/zinc/70/80/93/308708093.db2.gz SBBVOLURZQQZLN-LLVKDONJSA-N 0 0 336.754 3.473 10 5 EGBERN O=[N+]([O-])c1ccc(Br)cc1NCC1(O)CCSCC1 ZINC000301667949 308710004 /nfs/dbraw/zinc/71/00/04/308710004.db2.gz MNNSQVMEICCMEE-UHFFFAOYSA-N 0 0 347.234 3.027 10 5 EGBERN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(OC)cc1 ZINC000301827688 308717183 /nfs/dbraw/zinc/71/71/83/308717183.db2.gz FTLBJIUFBXQPTL-CYBMUJFWSA-N 0 0 327.344 3.209 10 5 EGBERN Cc1ccc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000301901934 308720723 /nfs/dbraw/zinc/72/07/23/308720723.db2.gz NVGUTNCGKQSILD-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN Cc1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)c([N+](=O)[O-])c1 ZINC000301907171 308721018 /nfs/dbraw/zinc/72/10/18/308721018.db2.gz ZPUYLHVJLWKZAU-CQSZACIVSA-N 0 0 329.356 3.078 10 5 EGBERN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1F ZINC000301955882 308723029 /nfs/dbraw/zinc/72/30/29/308723029.db2.gz FJAWNGSHODQFMP-GFCCVEGCSA-N 0 0 333.298 3.479 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](c2ccc(C)cc2)C1 ZINC000302112496 308729546 /nfs/dbraw/zinc/72/95/46/308729546.db2.gz BEHYMMXBXRZESP-HNNXBMFYSA-N 0 0 339.395 3.257 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000302151774 308731027 /nfs/dbraw/zinc/73/10/27/308731027.db2.gz HXKHUQRCQIQPRI-UHFFFAOYSA-N 0 0 349.274 3.041 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3nccnc3c2)c1 ZINC000302189519 308732673 /nfs/dbraw/zinc/73/26/73/308732673.db2.gz QOFJEBKLYKWGAE-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)C2CCCCC2)c1 ZINC000302701465 308742359 /nfs/dbraw/zinc/74/23/59/308742359.db2.gz ICSPEDREUBQAAE-KRWDZBQOSA-N 0 0 336.388 3.125 10 5 EGBERN Cc1nccn1-c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000302818828 308746877 /nfs/dbraw/zinc/74/68/77/308746877.db2.gz NLGDJVOFKZKZEY-UHFFFAOYSA-N 0 0 327.319 3.235 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[C@@H](C)C1 ZINC000331147130 308802551 /nfs/dbraw/zinc/80/25/51/308802551.db2.gz ZPNGZTLSHKCPGI-PWSUYJOCSA-N 0 0 326.418 3.242 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000347837699 308883443 /nfs/dbraw/zinc/88/34/43/308883443.db2.gz BTKMCSPDIYVONU-VHSXEESVSA-N 0 0 348.346 3.486 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000410739664 308920703 /nfs/dbraw/zinc/92/07/03/308920703.db2.gz JQQGYNMBQYJGJB-OPRDCNLKSA-N 0 0 346.305 3.252 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCC2)nc1 ZINC000410872738 308922239 /nfs/dbraw/zinc/92/22/39/308922239.db2.gz AQXFMQICUASFMH-UHFFFAOYSA-N 0 0 326.356 3.015 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(CC)ncnc1CC ZINC000410875950 308922387 /nfs/dbraw/zinc/92/23/87/308922387.db2.gz DWXRESHGRUWCKP-UHFFFAOYSA-N 0 0 328.372 3.324 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411181348 308929926 /nfs/dbraw/zinc/92/99/26/308929926.db2.gz FSEPZWSBSURJFF-AEFFLSMTSA-N 0 0 343.358 3.008 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2F)c1 ZINC000413027590 309012400 /nfs/dbraw/zinc/01/24/00/309012400.db2.gz BDWFTXJUHWTMID-OAHLLOKOSA-N 0 0 347.346 3.488 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000413116641 309016979 /nfs/dbraw/zinc/01/69/79/309016979.db2.gz PWUQYGPQFGJOCK-LBPRGKRZSA-N 0 0 346.362 3.076 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2F)cc1OC ZINC000413127338 309017471 /nfs/dbraw/zinc/01/74/71/309017471.db2.gz ATQTZASYNNRMMG-SNVBAGLBSA-N 0 0 335.335 3.189 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(F)c1 ZINC000413185707 309020254 /nfs/dbraw/zinc/02/02/54/309020254.db2.gz NQHOGLUHBUXHQC-VIFPVBQESA-N 0 0 338.289 3.098 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)C1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000413348527 309028170 /nfs/dbraw/zinc/02/81/70/309028170.db2.gz DIDGVFLYTJROIP-SWLSCSKDSA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](CC)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000413352696 309028306 /nfs/dbraw/zinc/02/83/06/309028306.db2.gz NRXICIHGWFJXJU-HRCADAONSA-N 0 0 337.420 3.141 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000413352694 309028329 /nfs/dbraw/zinc/02/83/29/309028329.db2.gz NRXICIHGWFJXJU-ARFHVFGLSA-N 0 0 337.420 3.141 10 5 EGBERN Cc1cc(N2C[C@@H]3C[C@H]2CS3)c(Br)cc1[N+](=O)[O-] ZINC000413460458 309032972 /nfs/dbraw/zinc/03/29/72/309032972.db2.gz SJHUCKAQIDXBCA-IUCAKERBSA-N 0 0 329.219 3.360 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416359723 309169974 /nfs/dbraw/zinc/16/99/74/309169974.db2.gz LUIZEZXOTBDJMS-ZDUSSCGKSA-N 0 0 347.396 3.043 10 5 EGBERN CC(C)[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000417413504 309205067 /nfs/dbraw/zinc/20/50/67/309205067.db2.gz BNELCFMYBWNBRU-LBPRGKRZSA-N 0 0 333.310 3.323 10 5 EGBERN CC(C)=CCSC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000417620053 309214272 /nfs/dbraw/zinc/21/42/72/309214272.db2.gz CHGRGYFCIXGAHG-HNNXBMFYSA-N 0 0 338.429 3.145 10 5 EGBERN CCOC(=O)c1noc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000419586984 309269978 /nfs/dbraw/zinc/26/99/78/309269978.db2.gz MZZGGZJRYCODAA-SECBINFHSA-N 0 0 337.357 3.149 10 5 EGBERN C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000421105508 309313489 /nfs/dbraw/zinc/31/34/89/309313489.db2.gz BYMVLBISGABVEC-DGCLKSJQSA-N 0 0 335.404 3.269 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421664752 309333509 /nfs/dbraw/zinc/33/35/09/309333509.db2.gz RJWSJLRCUHJCHY-YRGRVCCFSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000421678210 309334248 /nfs/dbraw/zinc/33/42/48/309334248.db2.gz ZAFCKANSFKBGEX-VHSXEESVSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000421864590 309344236 /nfs/dbraw/zinc/34/42/36/309344236.db2.gz BJSDPXKPUIZWSK-GOSISDBHSA-N 0 0 334.416 3.273 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421947174 309347484 /nfs/dbraw/zinc/34/74/84/309347484.db2.gz UKOWWKZMWBASAW-JTQLQIEISA-N 0 0 331.294 3.103 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](O)CC12CCC2 ZINC000422020490 309351372 /nfs/dbraw/zinc/35/13/72/309351372.db2.gz LKZHPSKXUXQGDT-NVXWUHKLSA-N 0 0 346.427 3.070 10 5 EGBERN COC1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000427082158 309522120 /nfs/dbraw/zinc/52/21/20/309522120.db2.gz VRAWILBPJKRVFV-UHFFFAOYSA-N 0 0 340.807 3.112 10 5 EGBERN COc1ccc(CNc2nc(C)c(CC(C)C)c(C)n2)cc1[N+](=O)[O-] ZINC000431819183 309643959 /nfs/dbraw/zinc/64/39/59/309643959.db2.gz XSSMUCWYIQGGEX-UHFFFAOYSA-N 0 0 344.415 3.243 10 5 EGBERN Cc1nc([C@@](C)(NCc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)no1 ZINC000433300235 309685338 /nfs/dbraw/zinc/68/53/38/309685338.db2.gz CVWKNSZCYXBMQJ-HNNXBMFYSA-N 0 0 336.779 3.355 10 5 EGBERN Cc1nc([C@](C)(NCc2ccc([N+](=O)[O-])cc2Cl)C2CC2)no1 ZINC000433306480 309685430 /nfs/dbraw/zinc/68/54/30/309685430.db2.gz RGXVNVAHSHVGDV-OAHLLOKOSA-N 0 0 336.779 3.355 10 5 EGBERN CN(Cc1cc(Cl)ccc1F)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000433815720 309697204 /nfs/dbraw/zinc/69/72/04/309697204.db2.gz PGLHXHFHJTUTQS-UHFFFAOYSA-N 0 0 335.726 3.066 10 5 EGBERN Cc1cc(NC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455080399 310343568 /nfs/dbraw/zinc/34/35/68/310343568.db2.gz FOQKSBAJACMOJC-XJKSGUPXSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000435927840 309743348 /nfs/dbraw/zinc/74/33/48/309743348.db2.gz SNGYDIRGCQHDES-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000438146012 309807994 /nfs/dbraw/zinc/80/79/94/309807994.db2.gz NYDJHSDSDUAGPV-QHRIQVFBSA-N 0 0 340.379 3.207 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438154655 309808318 /nfs/dbraw/zinc/80/83/18/309808318.db2.gz LXQOIEDVFAGDTN-AMJWSMQMSA-N 0 0 332.381 3.339 10 5 EGBERN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000438466584 309814709 /nfs/dbraw/zinc/81/47/09/309814709.db2.gz FHTIFMAKPVULPQ-UMSPYCQHSA-N 0 0 347.758 3.025 10 5 EGBERN CCOC(=O)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000438951747 309823039 /nfs/dbraw/zinc/82/30/39/309823039.db2.gz UKFMVAAZGQFBMA-UHFFFAOYSA-N 0 0 348.399 3.276 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3cccc([N+](=O)[O-])c3)cn(C)c2c1 ZINC000440868172 309857680 /nfs/dbraw/zinc/85/76/80/309857680.db2.gz UKMRDFBTZZBQEX-UHFFFAOYSA-N 0 0 337.379 3.367 10 5 EGBERN COCC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446034307 309953759 /nfs/dbraw/zinc/95/37/59/309953759.db2.gz XZRLVYUDUMEJPK-UHFFFAOYSA-N 0 0 326.780 3.055 10 5 EGBERN CCOc1cc(C(=O)N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000446344124 309960686 /nfs/dbraw/zinc/96/06/86/309960686.db2.gz WNLZKWRLNKLNLL-GFCCVEGCSA-N 0 0 336.388 3.120 10 5 EGBERN CN(CCN(C)c1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447675148 309985604 /nfs/dbraw/zinc/98/56/04/309985604.db2.gz KTGTYRCEVUDVES-UHFFFAOYSA-N 0 0 325.372 3.044 10 5 EGBERN C[C@H]1CC2(CCC2)CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809667 309989361 /nfs/dbraw/zinc/98/93/61/309989361.db2.gz BQWRYXUDBFDZQS-HNNXBMFYSA-N 0 0 345.443 3.196 10 5 EGBERN Cc1c(C(=O)Nc2cc(-c3ccccc3F)on2)cccc1[N+](=O)[O-] ZINC000448490146 310004555 /nfs/dbraw/zinc/00/45/55/310004555.db2.gz MYQJGLCXNZMGBV-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000448797402 310018259 /nfs/dbraw/zinc/01/82/59/310018259.db2.gz QHCFSAHFQIIJDD-IRXDYDNUSA-N 0 0 338.363 3.230 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000449910750 310093550 /nfs/dbraw/zinc/09/35/50/310093550.db2.gz HSCMRNIBJNTIHI-CHWSQXEVSA-N 0 0 330.306 3.232 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000450333087 310116057 /nfs/dbraw/zinc/11/60/57/310116057.db2.gz WNGSADZYJJOPSH-APPDUMDISA-N 0 0 346.408 3.344 10 5 EGBERN CC(C)NC(=O)c1ccc(NCCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000450557425 310129895 /nfs/dbraw/zinc/12/98/95/310129895.db2.gz PKWHIXXOJDSODY-UHFFFAOYSA-N 0 0 349.431 3.352 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(F)cc1[N+](=O)[O-] ZINC000450642535 310134614 /nfs/dbraw/zinc/13/46/14/310134614.db2.gz CDGSAHCSYLXZPS-RDTXWAMCSA-N 0 0 348.349 3.347 10 5 EGBERN CC[C@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450649923 310135159 /nfs/dbraw/zinc/13/51/59/310135159.db2.gz CIWCXZARQYITTN-ZFWWWQNUSA-N 0 0 345.374 3.393 10 5 EGBERN CCOc1cc(C(=O)NCCCC(C)(F)F)c([N+](=O)[O-])cc1OC ZINC000452195376 310218005 /nfs/dbraw/zinc/21/80/05/310218005.db2.gz AHDLKYXQQQYRNV-UHFFFAOYSA-N 0 0 346.330 3.167 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCc2ccccc21 ZINC000452311411 310222551 /nfs/dbraw/zinc/22/25/51/310222551.db2.gz GLRZRQSOYLRAMX-CQSZACIVSA-N 0 0 325.368 3.148 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452590179 310233519 /nfs/dbraw/zinc/23/35/19/310233519.db2.gz OCGHUWPPJGYTJD-JFIYKMOQSA-N 0 0 346.427 3.313 10 5 EGBERN O=C(CCOCC1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452831991 310244316 /nfs/dbraw/zinc/24/43/16/310244316.db2.gz AJDMMZXWBWITIB-MRXNPFEDSA-N 0 0 332.400 3.118 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000452883393 310247269 /nfs/dbraw/zinc/24/72/69/310247269.db2.gz KYPYAZFIRPFOMW-PXAZEXFGSA-N 0 0 345.399 3.257 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000455215252 310350666 /nfs/dbraw/zinc/35/06/66/310350666.db2.gz GHVUBXKUPKQMRA-UHOFOFEASA-N 0 0 337.420 3.406 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000456082821 310387703 /nfs/dbraw/zinc/38/77/03/310387703.db2.gz NHVYIJADMGNXRE-QJNYJZHLSA-N 0 0 342.395 3.278 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000456115859 310389182 /nfs/dbraw/zinc/38/91/82/310389182.db2.gz BLOXXLVMOZGCAC-ZDUSSCGKSA-N 0 0 348.399 3.073 10 5 EGBERN O=C(c1cccc(O)c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153085 310390939 /nfs/dbraw/zinc/39/09/39/310390939.db2.gz WNBIOJIXUOQULR-OAHLLOKOSA-N 0 0 326.352 3.320 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456377492 310402509 /nfs/dbraw/zinc/40/25/09/310402509.db2.gz LNUDUBZSSPYVTG-LBPRGKRZSA-N 0 0 334.763 3.339 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456396526 310403801 /nfs/dbraw/zinc/40/38/01/310403801.db2.gz BBWGUFZIUBPTHT-HNNXBMFYSA-N 0 0 348.790 3.199 10 5 EGBERN CCCc1ncc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000456522548 310410227 /nfs/dbraw/zinc/41/02/27/310410227.db2.gz QRQZGPIGHBPOCI-CQSZACIVSA-N 0 0 345.399 3.420 10 5 EGBERN CCc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2N)sc1C(C)(C)C ZINC000458265045 310495025 /nfs/dbraw/zinc/49/50/25/310495025.db2.gz APCRTVQABWVKFF-UHFFFAOYSA-N 0 0 349.416 3.141 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2C[C@H]1CS2 ZINC000458325986 310498390 /nfs/dbraw/zinc/49/83/90/310498390.db2.gz TUILAMRAFKRGKP-RYUDHWBXSA-N 0 0 347.421 3.048 10 5 EGBERN CCCc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)o1 ZINC000459992867 310578763 /nfs/dbraw/zinc/57/87/63/310578763.db2.gz WYMWFGXCASXZDW-JTQLQIEISA-N 0 0 329.356 3.435 10 5 EGBERN CCCCN(CCOC)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460214910 310580952 /nfs/dbraw/zinc/58/09/52/310580952.db2.gz LVVJUCLLIKJOFV-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@@H]1CCOC1 ZINC000461865113 310593143 /nfs/dbraw/zinc/59/31/43/310593143.db2.gz MNWCNYNVSIOEFA-OAHLLOKOSA-N 0 0 343.383 3.184 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470617514 310724616 /nfs/dbraw/zinc/72/46/16/310724616.db2.gz HVNUZSLLAVPROO-GXFFZTMASA-N 0 0 330.306 3.327 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000470845336 310728400 /nfs/dbraw/zinc/72/84/00/310728400.db2.gz SMDJNPCVKAMVKG-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN COc1c(C(=O)N[C@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000475116629 310805569 /nfs/dbraw/zinc/80/55/69/310805569.db2.gz FQPJBDYDGBNGRG-AWEZNQCLSA-N 0 0 330.315 3.160 10 5 EGBERN C=Cc1ccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485030208 310972660 /nfs/dbraw/zinc/97/26/60/310972660.db2.gz HDCDUDMLOMFRAJ-UHFFFAOYSA-N 0 0 346.333 3.417 10 5 EGBERN Cc1ccn2cc(CNc3c4ccccc4ncc3[N+](=O)[O-])nc2c1 ZINC000488055574 311049297 /nfs/dbraw/zinc/04/92/97/311049297.db2.gz WVPRHJWOWHDFLD-UHFFFAOYSA-N 0 0 333.351 3.133 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000488082911 311050616 /nfs/dbraw/zinc/05/06/16/311050616.db2.gz FBUXKRHOJNQPRN-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1OCCc2sccc21 ZINC000488749788 311078185 /nfs/dbraw/zinc/07/81/85/311078185.db2.gz SAVPNONZFKKIBJ-VFZGTOFNSA-N 0 0 344.396 3.069 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H](OCC3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000489914681 311124917 /nfs/dbraw/zinc/12/49/17/311124917.db2.gz QNHSXTHUPARIOJ-OAHLLOKOSA-N 0 0 348.399 3.085 10 5 EGBERN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000492369900 311242957 /nfs/dbraw/zinc/24/29/57/311242957.db2.gz WTEVRPPOGDURJC-JATZPVMKSA-N 0 0 341.323 3.394 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000492622213 311272760 /nfs/dbraw/zinc/27/27/60/311272760.db2.gz NKPRSZUDMPRCRD-FZKGZDJFSA-N 0 0 328.290 3.409 10 5 EGBERN CC[C@H](C[C@@H](C)CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000492936330 311309182 /nfs/dbraw/zinc/30/91/82/311309182.db2.gz IYPHQIIGQZZJLK-XPKDYRNWSA-N 0 0 337.420 3.142 10 5 EGBERN C[C@H](CCCC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000494377322 311473828 /nfs/dbraw/zinc/47/38/28/311473828.db2.gz YCKAKTUXFFAOQZ-SSDOTTSWSA-N 0 0 346.352 3.056 10 5 EGBERN O=C(CN1CCCC[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502842103 311974181 /nfs/dbraw/zinc/97/41/81/311974181.db2.gz KMHBYCBEMNAPRN-GFCCVEGCSA-N 0 0 347.749 3.306 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC2CC(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000504730844 312010183 /nfs/dbraw/zinc/01/01/83/312010183.db2.gz CVUDFCLESCODKZ-UHFFFAOYSA-N 0 0 348.399 3.326 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3cn(-c4ccccc4)nn3)c2)cc1 ZINC000505614357 312028516 /nfs/dbraw/zinc/02/85/16/312028516.db2.gz XJFJWDKFIYZNNA-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN CC(C)(C)n1nnnc1CSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000507120118 312059686 /nfs/dbraw/zinc/05/96/86/312059686.db2.gz ZXLPNHDXGFTMPS-UHFFFAOYSA-N 0 0 343.359 3.048 10 5 EGBERN CC(C)Oc1ncccc1-c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000508644018 312098776 /nfs/dbraw/zinc/09/87/76/312098776.db2.gz ACHJFIKIKCEZOC-UHFFFAOYSA-N 0 0 340.339 3.418 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509474800 312118302 /nfs/dbraw/zinc/11/83/02/312118302.db2.gz BYCFBISPECTAJT-CYBMUJFWSA-N 0 0 342.330 3.140 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000509501337 312118967 /nfs/dbraw/zinc/11/89/67/312118967.db2.gz PWAWUXORVFPOQZ-LJQANCHMSA-N 0 0 326.396 3.434 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000512155228 312177301 /nfs/dbraw/zinc/17/73/01/312177301.db2.gz SDNRCNGVFZVRDW-SNVBAGLBSA-N 0 0 332.809 3.201 10 5 EGBERN CCc1cccc(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000513032213 312200140 /nfs/dbraw/zinc/20/01/40/312200140.db2.gz QDTDBPZXOPWNFL-UHFFFAOYSA-N 0 0 326.396 3.401 10 5 EGBERN Cc1ccccc1[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000517215370 312368663 /nfs/dbraw/zinc/36/86/63/312368663.db2.gz CKLTYTWOEPRNOL-KRWDZBQOSA-N 0 0 338.367 3.357 10 5 EGBERN Cc1ccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000519026712 312437251 /nfs/dbraw/zinc/43/72/51/312437251.db2.gz SNAOFFOPNBMMLV-UHFFFAOYSA-N 0 0 343.408 3.347 10 5 EGBERN CCCN(C(=O)c1cnn2c1C[C@@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000519782590 312478431 /nfs/dbraw/zinc/47/84/31/312478431.db2.gz VOGJZRKOTMIYNJ-ZDUSSCGKSA-N 0 0 342.399 3.430 10 5 EGBERN O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531887275 313726386 /nfs/dbraw/zinc/72/63/86/313726386.db2.gz YRYFSVFYDKZCLC-GFCCVEGCSA-N 0 0 331.294 3.231 10 5 EGBERN CC[C@H](CSc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532790535 313842859 /nfs/dbraw/zinc/84/28/59/313842859.db2.gz XONNTMWBVDWFLV-GFCCVEGCSA-N 0 0 331.397 3.291 10 5 EGBERN COc1ccc(CC(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000535658699 314058604 /nfs/dbraw/zinc/05/86/04/314058604.db2.gz NTVVJXLSVIWPIU-UHFFFAOYSA-N 0 0 342.342 3.040 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000538255891 314235635 /nfs/dbraw/zinc/23/56/35/314235635.db2.gz TXZLFPQOJYWHRG-UHFFFAOYSA-N 0 0 345.355 3.141 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cncc(Br)c1)C2 ZINC000542264111 314530866 /nfs/dbraw/zinc/53/08/66/314530866.db2.gz RWDWIVNMBOGAFS-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN CC(C)(C)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)nc1 ZINC000545835971 314783783 /nfs/dbraw/zinc/78/37/83/314783783.db2.gz XEYFCARICZPXLU-UHFFFAOYSA-N 0 0 340.343 3.312 10 5 EGBERN O=c1[nH]cnc2cc(NCCc3cccc4[nH]ccc43)c([N+](=O)[O-])cc21 ZINC000548819997 315052007 /nfs/dbraw/zinc/05/20/07/315052007.db2.gz YHIRLHSZPVJXGV-UHFFFAOYSA-N 0 0 349.350 3.380 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000555044216 315363416 /nfs/dbraw/zinc/36/34/16/315363416.db2.gz JKBZNMJUDXSOQP-OLZOCXBDSA-N 0 0 329.404 3.356 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000558787768 315602593 /nfs/dbraw/zinc/60/25/93/315602593.db2.gz ZVIKURYQAPNHCU-VXGBXAGGSA-N 0 0 336.388 3.387 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N(C)Cc1ncc(C)c(OC)c1C ZINC000564240170 316127928 /nfs/dbraw/zinc/12/79/28/316127928.db2.gz TUYMQJHUESUDGB-UHFFFAOYSA-N 0 0 331.372 3.260 10 5 EGBERN CC[C@H]1C[C@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564316074 316135098 /nfs/dbraw/zinc/13/50/98/316135098.db2.gz XMXBSIQIJFWNEY-JSGCOSHPSA-N 0 0 344.415 3.449 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)CC(C)C)CC1 ZINC000565915150 316387873 /nfs/dbraw/zinc/38/78/73/316387873.db2.gz ALBGWFPIVFERLH-UHFFFAOYSA-N 0 0 335.404 3.052 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000567126580 316572348 /nfs/dbraw/zinc/57/23/48/316572348.db2.gz MAJBOYVQNOOODI-CHWSQXEVSA-N 0 0 329.404 3.356 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000567590158 316640072 /nfs/dbraw/zinc/64/00/72/316640072.db2.gz RVRLVTKXUZDNCH-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2ccc(C(C)=O)cc2CC1 ZINC000567752334 316669639 /nfs/dbraw/zinc/66/96/39/316669639.db2.gz GQDRSKIQFKZJOJ-UHFFFAOYSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1cc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000570465246 317059918 /nfs/dbraw/zinc/05/99/18/317059918.db2.gz SHXOQWOUBHIUQE-AWEZNQCLSA-N 0 0 342.395 3.380 10 5 EGBERN C[C@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000571171998 317161598 /nfs/dbraw/zinc/16/15/98/317161598.db2.gz HWVNOPRVRXVTFB-URLYPYJESA-N 0 0 326.343 3.356 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000572710576 317378807 /nfs/dbraw/zinc/37/88/07/317378807.db2.gz GHRGIKZAXTZNOG-OAHLLOKOSA-N 0 0 343.383 3.454 10 5 EGBERN CO[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1(C)C ZINC000574962459 317656575 /nfs/dbraw/zinc/65/65/75/317656575.db2.gz RUMWLFXGPRHHLZ-WDEREUQCSA-N 0 0 346.305 3.157 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000152461533 455122788 /nfs/dbraw/zinc/12/27/88/455122788.db2.gz DJRCNJKONKALSV-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN CO[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000231683025 456143381 /nfs/dbraw/zinc/14/33/81/456143381.db2.gz JYEYEJKACGNZDI-BDAKNGLRSA-N 0 0 330.182 3.040 10 5 EGBERN O=C(N[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000171683079 323246532 /nfs/dbraw/zinc/24/65/32/323246532.db2.gz NLBSDUXPTIVJQF-CYBMUJFWSA-N 0 0 342.351 3.296 10 5 EGBERN COC(=O)c1cc(OCc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000171933531 323261959 /nfs/dbraw/zinc/26/19/59/323261959.db2.gz CUJWEQYMMHROBZ-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN C[C@H]1CC[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180291501 323434843 /nfs/dbraw/zinc/43/48/43/323434843.db2.gz JIWGEAZVEBQIGB-IINYFYTJSA-N 0 0 347.396 3.249 10 5 EGBERN Cc1csc([C@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000184262694 323650073 /nfs/dbraw/zinc/65/00/73/323650073.db2.gz LSXPXUSCYALWQF-JTQLQIEISA-N 0 0 345.384 3.261 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000350612774 324107673 /nfs/dbraw/zinc/10/76/73/324107673.db2.gz URMOTTTZGYGDQL-BXUZGUMPSA-N 0 0 342.355 3.121 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(CF)CCC1 ZINC000577375179 324795736 /nfs/dbraw/zinc/79/57/36/324795736.db2.gz JYIYABJOPSFLRA-UHFFFAOYSA-N 0 0 334.269 3.370 10 5 EGBERN C[C@@H](C(=O)N1CCC2(CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000578817210 325021733 /nfs/dbraw/zinc/02/17/33/325021733.db2.gz OHBIKQDHJHLIFV-ZIAGYGMSSA-N 0 0 332.400 3.116 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCc1ccccc1 ZINC000580235560 325221760 /nfs/dbraw/zinc/22/17/60/325221760.db2.gz KSBHEPLDGJXGHU-UHFFFAOYSA-N 0 0 334.322 3.165 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CC1CCC(F)(F)CC1)CCCC2 ZINC000581250493 325346121 /nfs/dbraw/zinc/34/61/21/325346121.db2.gz HZMQZNAOXZVUBI-UHFFFAOYSA-N 0 0 326.343 3.461 10 5 EGBERN CCN(CCc1nccs1)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000581439698 325362122 /nfs/dbraw/zinc/36/21/22/325362122.db2.gz FBERIYRPOFIZND-UHFFFAOYSA-N 0 0 336.417 3.303 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000582145433 325417403 /nfs/dbraw/zinc/41/74/03/325417403.db2.gz HJTZAVQLTQLKDO-MXWKQRLJSA-N 0 0 326.343 3.356 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000582247339 325426301 /nfs/dbraw/zinc/42/63/01/325426301.db2.gz NZDDNBAYYCPOMV-RNCFNFMXSA-N 0 0 348.321 3.141 10 5 EGBERN O=C(Cn1ccnc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000582937930 325481730 /nfs/dbraw/zinc/48/17/30/325481730.db2.gz MXFZQKLTQZLECS-UHFFFAOYSA-N 0 0 338.323 3.222 10 5 EGBERN CC(C)(C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)nc1 ZINC000583848441 325556018 /nfs/dbraw/zinc/55/60/18/325556018.db2.gz ZTYDFHFWPDUFCO-UHFFFAOYSA-N 0 0 341.327 3.279 10 5 EGBERN C[C@@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCCO1 ZINC000457796949 457832402 /nfs/dbraw/zinc/83/24/02/457832402.db2.gz UQKYUKLARQQLKF-ZDUSSCGKSA-N 0 0 343.177 3.255 10 5 EGBERN C[C@H](N[C@@H](C[S@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183122960 455233396 /nfs/dbraw/zinc/23/33/96/455233396.db2.gz YEQVWRVNFBZKDC-DYALPIRYSA-N 0 0 332.425 3.365 10 5 EGBERN CCC(CC)(CCO)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183284581 455270583 /nfs/dbraw/zinc/27/05/83/455270583.db2.gz QNWSJHPGRLMZTB-WYMLVPIESA-N 0 0 334.416 3.303 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000190057282 455275286 /nfs/dbraw/zinc/27/52/86/455275286.db2.gz RNPUPLTZAQVHOK-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000173380393 455276751 /nfs/dbraw/zinc/27/67/51/455276751.db2.gz AJBZODPBGGFPQN-CQSZACIVSA-N 0 0 347.396 3.427 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)ccc1[N+](=O)[O-] ZINC000190152198 455284000 /nfs/dbraw/zinc/28/40/00/455284000.db2.gz ONKLVKYCUUVMPK-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1Sc1nnnn1-c1ccccc1 ZINC000002631374 452710440 /nfs/dbraw/zinc/71/04/40/452710440.db2.gz CGOOEKAUIARYIB-UHFFFAOYSA-N 0 0 333.760 3.375 10 5 EGBERN COc1cccc(C(=O)NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000600700348 460572527 /nfs/dbraw/zinc/57/25/27/460572527.db2.gz BTOIJKVLCNJJSG-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCC1(C(F)(F)F)CCCC1 ZINC000600695568 460570719 /nfs/dbraw/zinc/57/07/19/460570719.db2.gz MKTOIAHTPGZETQ-UHFFFAOYSA-N 0 0 346.305 3.213 10 5 EGBERN C[C@H](c1ccsc1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703887 460573864 /nfs/dbraw/zinc/57/38/64/460573864.db2.gz LWMNZDXDWMHLDX-HWPZZCPQSA-N 0 0 345.380 3.185 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1noc2ccccc21 ZINC000007069340 453029620 /nfs/dbraw/zinc/02/96/20/453029620.db2.gz RQJRJYKTMUTWTK-GFCCVEGCSA-N 0 0 339.351 3.498 10 5 EGBERN Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181317 453040787 /nfs/dbraw/zinc/04/07/87/453040787.db2.gz IFEUVQXLKQSAHS-QGZVFWFLSA-N 0 0 326.352 3.302 10 5 EGBERN C[C@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000007765908 453113127 /nfs/dbraw/zinc/11/31/27/453113127.db2.gz DCVWFVUSYOMIRB-JTQLQIEISA-N 0 0 343.368 3.129 10 5 EGBERN Cc1nnc(SCC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000008073318 453158310 /nfs/dbraw/zinc/15/83/10/453158310.db2.gz UGFUVGNIYDLIJP-UHFFFAOYSA-N 0 0 338.414 3.102 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900150 453265738 /nfs/dbraw/zinc/26/57/38/453265738.db2.gz USDBDKSUSRDSJX-UHFFFAOYSA-N 0 0 335.363 3.204 10 5 EGBERN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC2(CC2)CC1 ZINC000600768322 460596452 /nfs/dbraw/zinc/59/64/52/460596452.db2.gz HSOKTCVAZNDWMO-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000014713170 453542003 /nfs/dbraw/zinc/54/20/03/453542003.db2.gz SMKJNZUSVJMNCM-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1OC=C[C@@H]41 ZINC000014715658 453542556 /nfs/dbraw/zinc/54/25/56/453542556.db2.gz JKUJKKGMOZDDJV-UGZDLDLSSA-N 0 0 338.315 3.309 10 5 endogenous,in-man EGBERN C/C=C\C[C@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600808960 460612515 /nfs/dbraw/zinc/61/25/15/460612515.db2.gz MQAXABSNLOOEIK-XVWMLYKFSA-N 0 0 334.420 3.003 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCC3CCC3)cc2[N+](=O)[O-])C1 ZINC000026147189 453793266 /nfs/dbraw/zinc/79/32/66/453793266.db2.gz JWBAHLROMIGNHU-ZDUSSCGKSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000029940376 453832825 /nfs/dbraw/zinc/83/28/25/453832825.db2.gz BTNUFZKYNLTACB-SECBINFHSA-N 0 0 344.776 3.189 10 5 EGBERN COc1cccc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000030964042 453842311 /nfs/dbraw/zinc/84/23/11/453842311.db2.gz KVPSMVUCLCGHKA-OAHLLOKOSA-N 0 0 341.411 3.487 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000081260962 453853584 /nfs/dbraw/zinc/85/35/84/453853584.db2.gz RCMKVCVZEJCMBT-HNNXBMFYSA-N 0 0 330.388 3.135 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066805549 453875498 /nfs/dbraw/zinc/87/54/98/453875498.db2.gz HMOMLOBKJLNTKB-LBPRGKRZSA-N 0 0 332.356 3.290 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000075292470 453876670 /nfs/dbraw/zinc/87/66/70/453876670.db2.gz XVSCMKFZQQYIEA-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000053462940 453880725 /nfs/dbraw/zinc/88/07/25/453880725.db2.gz FMSIXIXXJHTHCI-UHFFFAOYSA-N 0 0 337.335 3.121 10 5 EGBERN COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000054533023 453933109 /nfs/dbraw/zinc/93/31/09/453933109.db2.gz XLSHTMMYVQKKGI-HNNXBMFYSA-N 0 0 343.339 3.021 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000067515468 453937801 /nfs/dbraw/zinc/93/78/01/453937801.db2.gz YSSXFAOBYPSEIO-FUHWJXTLSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1nc(C)c([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])s1 ZINC000040556147 453952962 /nfs/dbraw/zinc/95/29/62/453952962.db2.gz LNNFXCGEXDATND-LLVKDONJSA-N 0 0 348.428 3.348 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000055410370 453982722 /nfs/dbraw/zinc/98/27/22/453982722.db2.gz CXTDDTIGNUPYFL-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1sc(C(=O)NCCOc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000055602393 453998909 /nfs/dbraw/zinc/99/89/09/453998909.db2.gz HEXHTJKTMCZZST-UHFFFAOYSA-N 0 0 334.397 3.390 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000085333736 454023244 /nfs/dbraw/zinc/02/32/44/454023244.db2.gz SRAPSCLBDMIDGH-JTQLQIEISA-N 0 0 325.390 3.091 10 5 EGBERN COc1ccc(C(=O)N2CC(Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC000085458925 454029329 /nfs/dbraw/zinc/02/93/29/454029329.db2.gz MHGSPPWGJNWLRY-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccsc1 ZINC000043770918 454077137 /nfs/dbraw/zinc/07/71/37/454077137.db2.gz NVWPBKMODQUEFN-NSHDSACASA-N 0 0 336.438 3.496 10 5 EGBERN C[C@H](Cn1cncn1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000069192896 454086081 /nfs/dbraw/zinc/08/60/81/454086081.db2.gz POQCWGJFWBZYLN-SSDOTTSWSA-N 0 0 349.700 3.359 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)CCC(=O)N2 ZINC000095428540 454210190 /nfs/dbraw/zinc/21/01/90/454210190.db2.gz PIESVPRBVXDSRO-UHFFFAOYSA-N 0 0 341.367 3.490 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cn1 ZINC000078343416 454236896 /nfs/dbraw/zinc/23/68/96/454236896.db2.gz IYXZWMUCMMVHDG-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[S@](C)=O ZINC000131440149 454253905 /nfs/dbraw/zinc/25/39/05/454253905.db2.gz FOCVYUAGHLRUPB-HSZRJFAPSA-N 0 0 332.381 3.034 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccncc2)s1 ZINC000071922049 454258914 /nfs/dbraw/zinc/25/89/14/454258914.db2.gz ZSTGVWFVNGNIFR-UHFFFAOYSA-N 0 0 341.348 3.470 10 5 EGBERN Cc1sc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047189062 454338632 /nfs/dbraw/zinc/33/86/32/454338632.db2.gz ODIQZTLBROHQEW-GWCFXTLKSA-N 0 0 326.418 3.290 10 5 EGBERN Cc1c(OCC(=O)N[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000047355668 454362726 /nfs/dbraw/zinc/36/27/26/454362726.db2.gz HXDSYXIRVCDIDZ-MRXNPFEDSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000047355591 454362861 /nfs/dbraw/zinc/36/28/61/454362861.db2.gz NDSHIWZGLZASDY-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000133429928 454425040 /nfs/dbraw/zinc/42/50/40/454425040.db2.gz XTEQBVIYBFTOQR-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN Cc1ccc(C[S@](=O)CCCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000600910099 460640325 /nfs/dbraw/zinc/64/03/25/460640325.db2.gz UPPCPBKSUZVPPG-XMMPIXPASA-N 0 0 348.424 3.324 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000092007574 454502816 /nfs/dbraw/zinc/50/28/16/454502816.db2.gz VRWOETBNLCLRDP-UHFFFAOYSA-N 0 0 344.342 3.331 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000080232738 454553768 /nfs/dbraw/zinc/55/37/68/454553768.db2.gz YWOBZROBFCLKPC-INIZCTEOSA-N 0 0 327.384 3.218 10 5 EGBERN O=C(NCCC1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049651303 454554821 /nfs/dbraw/zinc/55/48/21/454554821.db2.gz VHYOQBPSSBNWSH-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2cc(F)ccc2F)c1 ZINC000049998697 454568048 /nfs/dbraw/zinc/56/80/48/454568048.db2.gz BVKIRNFNFXJWEV-INIZCTEOSA-N 0 0 345.305 3.470 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC000092470477 454572048 /nfs/dbraw/zinc/57/20/48/454572048.db2.gz ZFIWTIATSCCDSO-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1C1CCCCC1 ZINC000065501133 454578333 /nfs/dbraw/zinc/57/83/33/454578333.db2.gz FTHPZTDVKTVWFN-UHFFFAOYSA-N 0 0 328.372 3.478 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N3CCCC3)nc2)c1 ZINC000092584773 454589607 /nfs/dbraw/zinc/58/96/07/454589607.db2.gz RNNJCLDSGKQGES-UHFFFAOYSA-N 0 0 332.335 3.481 10 5 EGBERN CCc1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cs1 ZINC000134877486 454602457 /nfs/dbraw/zinc/60/24/57/454602457.db2.gz WZXNNWVTBXAPLE-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000080648714 454611702 /nfs/dbraw/zinc/61/17/02/454611702.db2.gz GECUEWINQVJSBY-MRXNPFEDSA-N 0 0 338.335 3.272 10 5 EGBERN Cc1nc(N[C@@H](CO)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000092701350 454613607 /nfs/dbraw/zinc/61/36/07/454613607.db2.gz YYHDJDHPGLZJMM-LBPRGKRZSA-N 0 0 325.727 3.236 10 5 EGBERN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000065777356 454621671 /nfs/dbraw/zinc/62/16/71/454621671.db2.gz LSMMTBAGQAIYCJ-CYBMUJFWSA-N 0 0 344.415 3.356 10 5 EGBERN COc1ccc(CCCNc2cc(C)c([N+](=O)[O-])cn2)cc1OC ZINC000074743396 454627995 /nfs/dbraw/zinc/62/79/95/454627995.db2.gz PCSKEILWUXUZND-UHFFFAOYSA-N 0 0 331.372 3.360 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC2(CC2)c2ccccc21 ZINC000074764340 454630902 /nfs/dbraw/zinc/63/09/02/454630902.db2.gz DCQCKQVFBZZVBW-UHFFFAOYSA-N 0 0 337.379 3.399 10 5 EGBERN Cc1ccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)nc1 ZINC000074765767 454631501 /nfs/dbraw/zinc/63/15/01/454631501.db2.gz CJYTVDFAWJUIIW-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN CCc1nn(C)c(N2CCC(Nc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000092830290 454643356 /nfs/dbraw/zinc/64/33/56/454643356.db2.gz VBOCZORCCINDHO-UHFFFAOYSA-N 0 0 347.394 3.111 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000135262646 454655426 /nfs/dbraw/zinc/65/54/26/454655426.db2.gz NYTDILMFDXOHRW-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN CC[C@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2O1 ZINC000135263502 454655600 /nfs/dbraw/zinc/65/56/00/454655600.db2.gz SWSYTLLRQDFXKU-QGZVFWFLSA-N 0 0 343.339 3.448 10 5 EGBERN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052166697 454657632 /nfs/dbraw/zinc/65/76/32/454657632.db2.gz WMJRIZUCPWNQEJ-UHFFFAOYSA-N 0 0 346.343 3.362 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000092961212 454659726 /nfs/dbraw/zinc/65/97/26/454659726.db2.gz SABYZECNQJNQTO-ZDUSSCGKSA-N 0 0 337.719 3.302 10 5 EGBERN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106841255 454722895 /nfs/dbraw/zinc/72/28/95/454722895.db2.gz UERZESJTNMZIPL-HNNXBMFYSA-N 0 0 341.367 3.199 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1O ZINC000136749404 454754954 /nfs/dbraw/zinc/75/49/54/454754954.db2.gz JXSOWJFWYKTRGD-UHFFFAOYSA-N 0 0 346.408 3.385 10 5 EGBERN Cc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153131246 454763058 /nfs/dbraw/zinc/76/30/58/454763058.db2.gz QCEQVFQNPKZDLP-UHFFFAOYSA-N 0 0 343.358 3.039 10 5 EGBERN Cc1ccccc1-c1nc(CSCCn2cc([N+](=O)[O-])cn2)no1 ZINC000162372727 454770914 /nfs/dbraw/zinc/77/09/14/454770914.db2.gz AJJSQDOEUWTREO-UHFFFAOYSA-N 0 0 345.384 3.083 10 5 EGBERN CN(C(=O)c1ccncc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000153537748 454804104 /nfs/dbraw/zinc/80/41/04/454804104.db2.gz CMSACJQSGCDPAH-UHFFFAOYSA-N 0 0 336.145 3.029 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000163232469 454832843 /nfs/dbraw/zinc/83/28/43/454832843.db2.gz LJMVMAVPRVFMHD-CZUORRHYSA-N 0 0 335.404 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000145760113 454855077 /nfs/dbraw/zinc/85/50/77/454855077.db2.gz HFFUDKZOTFOGIT-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1OC ZINC000147733329 454866142 /nfs/dbraw/zinc/86/61/42/454866142.db2.gz ISDAQSSBGNGVQB-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000126088849 454869172 /nfs/dbraw/zinc/86/91/72/454869172.db2.gz AVDAYECBNZOCHV-AWEZNQCLSA-N 0 0 326.418 3.379 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000150789199 454892892 /nfs/dbraw/zinc/89/28/92/454892892.db2.gz ACYKXXMEKMFPFF-STQMWFEESA-N 0 0 338.429 3.466 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808602 454923621 /nfs/dbraw/zinc/92/36/21/454923621.db2.gz RPXLTDJVTRPUKR-TZMCWYRMSA-N 0 0 329.404 3.243 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3O)c1 ZINC000170600526 454938752 /nfs/dbraw/zinc/93/87/52/454938752.db2.gz VZTGMDYTLARMJI-UHFFFAOYSA-N 0 0 330.365 3.225 10 5 EGBERN CC(C)Oc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178189012 454942023 /nfs/dbraw/zinc/94/20/23/454942023.db2.gz BTHMTHNGOVZNDE-UHFFFAOYSA-N 0 0 333.319 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccsc3)n2)c1=O ZINC000127185354 454943564 /nfs/dbraw/zinc/94/35/64/454943564.db2.gz BNSITJJZRDQZIO-UHFFFAOYSA-N 0 0 333.394 3.298 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170943734 455003300 /nfs/dbraw/zinc/00/33/00/455003300.db2.gz PPQGYBZJPKRILR-IRXDYDNUSA-N 0 0 340.379 3.366 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179283938 455028307 /nfs/dbraw/zinc/02/83/07/455028307.db2.gz VBCZNUPQOQGVHU-UHFFFAOYSA-N 0 0 341.371 3.110 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151829896 455035965 /nfs/dbraw/zinc/03/59/65/455035965.db2.gz MTCWDTLWFSFVOL-YVEFUNNKSA-N 0 0 326.352 3.059 10 5 EGBERN CN(C)S(=O)(=O)c1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000151985911 455058481 /nfs/dbraw/zinc/05/84/81/455058481.db2.gz HNFZEIAVJWAMDQ-UHFFFAOYSA-N 0 0 344.439 3.058 10 5 EGBERN Cc1nn(CCC(=O)Nc2nc(C(C)C)cs2)c(C)c1[N+](=O)[O-] ZINC000171425436 455069279 /nfs/dbraw/zinc/06/92/79/455069279.db2.gz GFQJYSMAESGTRU-UHFFFAOYSA-N 0 0 337.405 3.017 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000118268312 455101519 /nfs/dbraw/zinc/10/15/19/455101519.db2.gz YOLYOTAOTIQKHP-CJNGLKHVSA-N 0 0 334.416 3.474 10 5 EGBERN Cc1ccccc1[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179955073 455106020 /nfs/dbraw/zinc/10/60/20/455106020.db2.gz YMNBKBSVUWUZFU-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN C[C@@H](c1ccccc1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180034007 455120122 /nfs/dbraw/zinc/12/01/22/455120122.db2.gz BWXWFEOTBGVOLG-NSHDSACASA-N 0 0 328.324 3.157 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CCCC2)cc1OC ZINC000172096991 455120710 /nfs/dbraw/zinc/12/07/10/455120710.db2.gz SQJFLHVTWFLNJF-NSHDSACASA-N 0 0 336.388 3.311 10 5 EGBERN CCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])n3C)sc2c1 ZINC000612566522 460663375 /nfs/dbraw/zinc/66/33/75/460663375.db2.gz SXJMNDNIVFJINN-UHFFFAOYSA-N 0 0 330.369 3.358 10 5 EGBERN Cc1c(CC(=O)N[C@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000129854828 455129981 /nfs/dbraw/zinc/12/99/81/455129981.db2.gz JVOODOXBTUZFDF-CJNGLKHVSA-N 0 0 340.379 3.127 10 5 EGBERN CSCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000152563522 455136896 /nfs/dbraw/zinc/13/68/96/455136896.db2.gz AUMULCBKIQQDEZ-UHFFFAOYSA-N 0 0 347.234 3.230 10 5 EGBERN CO[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000189342356 455181095 /nfs/dbraw/zinc/18/10/95/455181095.db2.gz AVDYPZLVFIXKGJ-WBMJQRKESA-N 0 0 331.372 3.107 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182928474 455193569 /nfs/dbraw/zinc/19/35/69/455193569.db2.gz NIAFBULVCLZCJP-PXAZEXFGSA-N 0 0 340.395 3.141 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173436284 455283124 /nfs/dbraw/zinc/28/31/24/455283124.db2.gz LITMJZRMXMYHNL-CQSZACIVSA-N 0 0 344.371 3.387 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183628908 455315058 /nfs/dbraw/zinc/31/50/58/455315058.db2.gz MKUZGGDJMCWGKB-INIZCTEOSA-N 0 0 339.395 3.336 10 5 EGBERN Cc1ncc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)s1 ZINC000183682011 455320305 /nfs/dbraw/zinc/32/03/05/455320305.db2.gz ZEYGNJXJEBVYFQ-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174528967 455400796 /nfs/dbraw/zinc/40/07/96/455400796.db2.gz LJDSJSRJUJOAKH-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000159940505 455417538 /nfs/dbraw/zinc/41/75/38/455417538.db2.gz YOGKCUAIPYKSLF-INIZCTEOSA-N 0 0 326.352 3.329 10 5 EGBERN COc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191094734 455441013 /nfs/dbraw/zinc/44/10/13/455441013.db2.gz OKBPFBUBUJDKMB-NSHDSACASA-N 0 0 344.371 3.332 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000191465195 455487291 /nfs/dbraw/zinc/48/72/91/455487291.db2.gz VASRQECOOKITDH-GFCCVEGCSA-N 0 0 330.388 3.426 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC000191486468 455490295 /nfs/dbraw/zinc/49/02/95/455490295.db2.gz ZNGCHCHFZLCLPX-UHFFFAOYSA-N 0 0 342.399 3.053 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n1 ZINC000191496140 455490928 /nfs/dbraw/zinc/49/09/28/455490928.db2.gz RKRWBWJGCPBUAB-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCC(C)C)n1 ZINC000191557307 455497285 /nfs/dbraw/zinc/49/72/85/455497285.db2.gz BWTPZIQFJLQPQQ-UHFFFAOYSA-N 0 0 332.360 3.098 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccccc2C)n1 ZINC000191779335 455518818 /nfs/dbraw/zinc/51/88/18/455518818.db2.gz SKSOZCVQMAPNQK-CQSZACIVSA-N 0 0 328.372 3.097 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000267342906 455542517 /nfs/dbraw/zinc/54/25/17/455542517.db2.gz GXKVQJDQFTWDQM-ZDUSSCGKSA-N 0 0 332.335 3.133 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000161259662 455552926 /nfs/dbraw/zinc/55/29/26/455552926.db2.gz XZTXZRWBKYSUMS-LBPRGKRZSA-N 0 0 344.342 3.434 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000161255576 455553050 /nfs/dbraw/zinc/55/30/50/455553050.db2.gz CLJABERPSQZDAF-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC(C)(C)C ZINC000161288956 455555763 /nfs/dbraw/zinc/55/57/63/455555763.db2.gz XLCZDBNLGHXPNQ-AWEZNQCLSA-N 0 0 336.388 3.143 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(C(C)(C)C)cc1 ZINC000161485172 455574923 /nfs/dbraw/zinc/57/49/23/455574923.db2.gz GSJUAVBIADZIGV-NSHDSACASA-N 0 0 330.388 3.117 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000192240098 455579977 /nfs/dbraw/zinc/57/99/77/455579977.db2.gz DETMMHDUVLBNSF-LBPRGKRZSA-N 0 0 344.314 3.117 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)n1 ZINC000271435731 455635313 /nfs/dbraw/zinc/63/53/13/455635313.db2.gz SLEVKWUHPJXHCK-CYBMUJFWSA-N 0 0 330.388 3.236 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000192732271 455680652 /nfs/dbraw/zinc/68/06/52/455680652.db2.gz RZMCYBWJOOSCEH-OAHLLOKOSA-N 0 0 348.378 3.145 10 5 EGBERN O=C(N[C@H]1CCCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277991434 455728477 /nfs/dbraw/zinc/72/84/77/455728477.db2.gz GUXYCJHUUHOBDT-ZDUSSCGKSA-N 0 0 336.391 3.393 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)CC2 ZINC000193228997 455749026 /nfs/dbraw/zinc/74/90/26/455749026.db2.gz HKKFOOSZHJUANV-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000278158995 455773439 /nfs/dbraw/zinc/77/34/39/455773439.db2.gz CXWFADWHLOONRG-SECBINFHSA-N 0 0 327.344 3.331 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278357610 455827434 /nfs/dbraw/zinc/82/74/34/455827434.db2.gz PNBANOCFZAAQCI-LRDDRELGSA-N 0 0 336.391 3.248 10 5 EGBERN COc1cccc(C(=O)N(C)[C@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000194573406 455859890 /nfs/dbraw/zinc/85/98/90/455859890.db2.gz JDQXPZYFSOQEJD-LLVKDONJSA-N 0 0 334.397 3.368 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187006990 455862177 /nfs/dbraw/zinc/86/21/77/455862177.db2.gz OCSJFQNTZMSXBV-GXTWGEPZSA-N 0 0 335.404 3.221 10 5 EGBERN CC[C@H](NC(=O)NCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000279493752 455865846 /nfs/dbraw/zinc/86/58/46/455865846.db2.gz JKZTWSUQVZZQQH-KRWDZBQOSA-N 0 0 342.399 3.291 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000255370986 455866195 /nfs/dbraw/zinc/86/61/95/455866195.db2.gz HIXGZJOCZCAHRY-OCTSTCLRSA-N 0 0 340.379 3.387 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000280131596 455899634 /nfs/dbraw/zinc/89/96/34/455899634.db2.gz AZWVYDOTNBKJII-UHFFFAOYSA-N 0 0 341.371 3.114 10 5 EGBERN CCOC(=O)c1ncc(COc2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC000601081675 460702192 /nfs/dbraw/zinc/70/21/92/460702192.db2.gz RULKEMXZUKFFFW-UHFFFAOYSA-N 0 0 340.332 3.255 10 5 EGBERN Cc1c(NC(=O)C(=O)C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280698758 456034483 /nfs/dbraw/zinc/03/44/83/456034483.db2.gz LEDLMBMEBTVEMN-UHFFFAOYSA-N 0 0 343.177 3.219 10 5 EGBERN CC[C@H](NC(=O)NCCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000296794039 456039981 /nfs/dbraw/zinc/03/99/81/456039981.db2.gz QHROKFMLIPUIKN-INIZCTEOSA-N 0 0 342.399 3.291 10 5 EGBERN CO[C@@H](C)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280798196 456054649 /nfs/dbraw/zinc/05/46/49/456054649.db2.gz UNKUQLDEUCOOJE-QMMMGPOBSA-N 0 0 345.193 3.419 10 5 EGBERN COc1cc(CN(C)c2ncc(F)cc2[N+](=O)[O-])ccc1SC ZINC000601108832 460713088 /nfs/dbraw/zinc/71/30/88/460713088.db2.gz NEESEORTOOLNFQ-UHFFFAOYSA-N 0 0 337.376 3.496 10 5 EGBERN COc1cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)ccc1C ZINC000601106634 460713456 /nfs/dbraw/zinc/71/34/56/460713456.db2.gz TUJQEZLAYCTBGD-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000601100126 460709928 /nfs/dbraw/zinc/70/99/28/460709928.db2.gz METZRRATFLMMGL-ZCFIWIBFSA-N 0 0 346.231 3.126 10 5 EGBERN CC[C@@H]1CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000297042339 456100426 /nfs/dbraw/zinc/10/04/26/456100426.db2.gz LQFLKHHFMBAKIW-SSDOTTSWSA-N 0 0 339.200 3.075 10 5 EGBERN O=[N+]([O-])c1ccc(N(C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301365700 456100538 /nfs/dbraw/zinc/10/05/38/456100538.db2.gz QEOFVNNGOTZWRW-AWEZNQCLSA-N 0 0 335.360 3.431 10 5 EGBERN C[C@@H]1CN(Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000301382381 456103932 /nfs/dbraw/zinc/10/39/32/456103932.db2.gz SUMGYAKWNSDTOI-OKILXGFUSA-N 0 0 342.399 3.343 10 5 EGBERN CCc1ccc(CN2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)s1 ZINC000301390787 456105473 /nfs/dbraw/zinc/10/54/73/456105473.db2.gz ZIBBFTRHROKKRU-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Br)o1 ZINC000226547878 456109997 /nfs/dbraw/zinc/10/99/97/456109997.db2.gz PPXJDPOKARCRTL-SSDOTTSWSA-N 0 0 327.138 3.222 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301424246 456112980 /nfs/dbraw/zinc/11/29/80/456112980.db2.gz GGLDRQVNMWJXEC-CHWSQXEVSA-N 0 0 342.399 3.184 10 5 EGBERN COc1ccccc1N1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000301436217 456114827 /nfs/dbraw/zinc/11/48/27/456114827.db2.gz MLZLPHQMZCIOKI-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN CCc1cnc([C@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])s1 ZINC000301572405 456150561 /nfs/dbraw/zinc/15/05/61/456150561.db2.gz RPTMHIRZHOTQQW-VIFPVBQESA-N 0 0 334.401 3.146 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCc3c2cccc3OC)ccc1[N+](=O)[O-] ZINC000301613636 456162305 /nfs/dbraw/zinc/16/23/05/456162305.db2.gz AGXOFSHRSVLILX-HNNXBMFYSA-N 0 0 342.351 3.489 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)c1 ZINC000301630333 456168333 /nfs/dbraw/zinc/16/83/33/456168333.db2.gz IRSYYWULVAFQML-AWEZNQCLSA-N 0 0 338.360 3.382 10 5 EGBERN CC(C)n1ncnc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000601119411 460717391 /nfs/dbraw/zinc/71/73/91/460717391.db2.gz YNDFNQZOOSFNFI-UHFFFAOYSA-N 0 0 343.309 3.076 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000301685818 456186911 /nfs/dbraw/zinc/18/69/11/456186911.db2.gz WUKLVHCZXNMRTA-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301746161 456205732 /nfs/dbraw/zinc/20/57/32/456205732.db2.gz PGNHBLLKCVNSKR-DIFFPNOSSA-N 0 0 343.339 3.331 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](COCc2ccccc2)C1 ZINC000601121716 460718637 /nfs/dbraw/zinc/71/86/37/460718637.db2.gz QHJLRQKITFTRAM-AWEZNQCLSA-N 0 0 331.347 3.172 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cn(C)nc2C(F)(F)F)c1 ZINC000301804223 456219477 /nfs/dbraw/zinc/21/94/77/456219477.db2.gz VGVQOTLMDLXCQM-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301898243 456245888 /nfs/dbraw/zinc/24/58/88/456245888.db2.gz RWRDLEYPKPLJFW-GFCCVEGCSA-N 0 0 340.445 3.403 10 5 EGBERN Cc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000189176687 456246611 /nfs/dbraw/zinc/24/66/11/456246611.db2.gz LDMUQLRLMKWTEO-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126010 460721195 /nfs/dbraw/zinc/72/11/95/460721195.db2.gz TYFGUSFHWXFSPV-JGVFFNPUSA-N 0 0 338.355 3.433 10 5 EGBERN CC(C)(C)Oc1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccn1 ZINC000301913701 456250035 /nfs/dbraw/zinc/25/00/35/456250035.db2.gz FDOLXEFKOABOCV-UHFFFAOYSA-N 0 0 347.400 3.488 10 5 EGBERN COC(=O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])nc1C1CC1 ZINC000302016810 456269332 /nfs/dbraw/zinc/26/93/32/456269332.db2.gz GAIGGQSAXJTNFO-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN Cc1nnsc1COC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000297700353 456277315 /nfs/dbraw/zinc/27/73/15/456277315.db2.gz JSAVHTNMYJCOEV-UHFFFAOYSA-N 0 0 327.749 3.074 10 5 EGBERN CCc1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1CC ZINC000302158973 456302417 /nfs/dbraw/zinc/30/24/17/456302417.db2.gz OCZBAJUDZKFVQW-UHFFFAOYSA-N 0 0 349.412 3.111 10 5 EGBERN COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1CO ZINC000342900933 456302982 /nfs/dbraw/zinc/30/29/82/456302982.db2.gz CXWZOHNSQHIGAK-UHFFFAOYSA-N 0 0 348.380 3.070 10 5 EGBERN Cc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000601140139 460727420 /nfs/dbraw/zinc/72/74/20/460727420.db2.gz TUAAHSMPWJEAKQ-UHFFFAOYSA-N 0 0 331.351 3.045 10 5 EGBERN COCC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC1 ZINC000337170188 456332942 /nfs/dbraw/zinc/33/29/42/456332942.db2.gz CSUBXMFIZQAKQM-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000275901816 456346601 /nfs/dbraw/zinc/34/66/01/456346601.db2.gz NCDUVVHGXBTCAE-HOMQSWHASA-N 0 0 329.194 3.097 10 5 EGBERN C[C@H](O)C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000290518435 456351303 /nfs/dbraw/zinc/35/13/03/456351303.db2.gz CCHLSCAGXFOPIO-JSGCOSHPSA-N 0 0 340.383 3.438 10 5 EGBERN COc1cc2c(cc1F)ncnc2NCc1ccc([N+](=O)[O-])cc1 ZINC000302588398 456363201 /nfs/dbraw/zinc/36/32/01/456363201.db2.gz VIYGVAPRXWCABD-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN COc1cc(NC[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000302650490 456369339 /nfs/dbraw/zinc/36/93/39/456369339.db2.gz BPOLMOWVUYNREI-INIZCTEOSA-N 0 0 326.368 3.486 10 5 EGBERN CC(C)(C)c1cnc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149872 460732647 /nfs/dbraw/zinc/73/26/47/460732647.db2.gz QZGKZJUTNYSCLZ-QGZVFWFLSA-N 0 0 349.456 3.346 10 5 EGBERN CC(C)c1cnc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148848 460732765 /nfs/dbraw/zinc/73/27/65/460732765.db2.gz GVBGONVJDKFSPF-MRXNPFEDSA-N 0 0 335.429 3.172 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000302840002 456414289 /nfs/dbraw/zinc/41/42/89/456414289.db2.gz ZTZVWUOQXGZEJG-LBPRGKRZSA-N 0 0 339.823 3.298 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000276230059 456419235 /nfs/dbraw/zinc/41/92/35/456419235.db2.gz NILIRIHQQDEAKF-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN Cn1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000291002049 456492822 /nfs/dbraw/zinc/49/28/22/456492822.db2.gz BTJBONAQKODCGT-UHFFFAOYSA-N 0 0 343.387 3.037 10 5 EGBERN CC[C@H](NC(=O)NCCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000291004025 456493729 /nfs/dbraw/zinc/49/37/29/456493729.db2.gz ZECOXXJFJQYRFR-AWEZNQCLSA-N 0 0 348.428 3.434 10 5 EGBERN O=C(CSc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000337767945 456534154 /nfs/dbraw/zinc/53/41/54/456534154.db2.gz UGIQKVSHLMZESF-JTQLQIEISA-N 0 0 348.346 3.488 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348230283 456551786 /nfs/dbraw/zinc/55/17/86/456551786.db2.gz NJDNSVDWRMXCCM-BREBYQMCSA-N 0 0 345.321 3.195 10 5 EGBERN C[C@@](O)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 ZINC000276835621 456595689 /nfs/dbraw/zinc/59/56/89/456595689.db2.gz WSLMPZRZZUGHPB-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000322549548 456647962 /nfs/dbraw/zinc/64/79/62/456647962.db2.gz PTHOOQLQXWNIAB-UHFFFAOYSA-N 0 0 334.759 3.425 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1noc(C2CC2)n1 ZINC000343483972 456652072 /nfs/dbraw/zinc/65/20/72/456652072.db2.gz XSHUPHWRFQMFQJ-UHFFFAOYSA-N 0 0 328.250 3.486 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCN(C2CC2)CC1 ZINC000299357126 456668255 /nfs/dbraw/zinc/66/82/55/456668255.db2.gz NYMRGORVNDETFC-UHFFFAOYSA-N 0 0 331.419 3.308 10 5 EGBERN Cc1cc(C)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)n1 ZINC000340778947 456681779 /nfs/dbraw/zinc/68/17/79/456681779.db2.gz QCLQORQMGRIRPA-UHFFFAOYSA-N 0 0 335.310 3.374 10 5 EGBERN Cc1ccccc1C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000277139932 456695083 /nfs/dbraw/zinc/69/50/83/456695083.db2.gz CALPHAAVKHFGOH-QGZVFWFLSA-N 0 0 342.395 3.245 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1NC(C)=O ZINC000338206762 456705795 /nfs/dbraw/zinc/70/57/95/456705795.db2.gz PFDOEHPDYOAXSV-UHFFFAOYSA-N 0 0 343.339 3.123 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000340869201 456730640 /nfs/dbraw/zinc/73/06/40/456730640.db2.gz CQKLRZSDKXHAET-WCQYABFASA-N 0 0 334.173 3.142 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1noc(Cc2ccccc2)n1 ZINC000353527044 456736270 /nfs/dbraw/zinc/73/62/70/456736270.db2.gz CLGXEWLFKYAWJG-UHFFFAOYSA-N 0 0 336.351 3.131 10 5 EGBERN Cc1cc(N[C@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277435071 456823868 /nfs/dbraw/zinc/82/38/68/456823868.db2.gz IZXMQMMPWVDGAH-NHYWBVRUSA-N 0 0 328.372 3.197 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H](CC(F)(F)F)C3)cc2N1 ZINC000277438765 456825206 /nfs/dbraw/zinc/82/52/06/456825206.db2.gz NDHXMHBKDJTGKX-SECBINFHSA-N 0 0 343.305 3.258 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301227393 456826189 /nfs/dbraw/zinc/82/61/89/456826189.db2.gz GTYGYMCECJXFTJ-UHFFFAOYSA-N 0 0 325.340 3.155 10 5 EGBERN CCCc1n[nH]c(C(=O)NCC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000283714435 456828260 /nfs/dbraw/zinc/82/82/60/456828260.db2.gz UGDXRRYNEMLIFU-UHFFFAOYSA-N 0 0 342.399 3.194 10 5 EGBERN COc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277478365 456839526 /nfs/dbraw/zinc/83/95/26/456839526.db2.gz QTOYSOPOAKWFDQ-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN C[C@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341310516 456840894 /nfs/dbraw/zinc/84/08/94/456840894.db2.gz VUWCWFWWXSIJAH-NSHDSACASA-N 0 0 331.347 3.291 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1ccc(Br)c(F)c1 ZINC000349246580 456922847 /nfs/dbraw/zinc/92/28/47/456922847.db2.gz XPGMEWBHRZRJOC-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000339091276 456936565 /nfs/dbraw/zinc/93/65/65/456936565.db2.gz LEXFQOGCOMFKFH-CQSZACIVSA-N 0 0 330.306 3.224 10 5 EGBERN CCOCCO[C@H](C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341781514 456942231 /nfs/dbraw/zinc/94/22/31/456942231.db2.gz FFXKFGQEQPWWGV-GFCCVEGCSA-N 0 0 338.404 3.272 10 5 EGBERN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341787433 456944860 /nfs/dbraw/zinc/94/48/60/456944860.db2.gz YNTVKVDYRZVBBL-HNNXBMFYSA-N 0 0 349.431 3.382 10 5 EGBERN Cc1ccn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)n1 ZINC000341823982 456959983 /nfs/dbraw/zinc/95/99/83/456959983.db2.gz CYDMEQWHGSPYDD-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CO[C@@H](C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000353909052 456961762 /nfs/dbraw/zinc/96/17/62/456961762.db2.gz XIOMATMDUGLZTH-NSHDSACASA-N 0 0 328.796 3.063 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000339144867 456962628 /nfs/dbraw/zinc/96/26/28/456962628.db2.gz TZVPMTLXFMNFFC-ZDUSSCGKSA-N 0 0 346.387 3.144 10 5 EGBERN CCc1nc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)no1 ZINC000353912849 456963195 /nfs/dbraw/zinc/96/31/95/456963195.db2.gz KRGCAXGNZTXGMX-UHFFFAOYSA-N 0 0 347.375 3.159 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](OC)C(F)(F)F ZINC000353927341 456968280 /nfs/dbraw/zinc/96/82/80/456968280.db2.gz DHYTUGRKSIGZRW-GFCCVEGCSA-N 0 0 349.309 3.246 10 5 EGBERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000339184296 456982255 /nfs/dbraw/zinc/98/22/55/456982255.db2.gz FJOWKBVVRIHZCD-UHFFFAOYSA-N 0 0 348.378 3.384 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1cccc(F)c1 ZINC000349606323 456994325 /nfs/dbraw/zinc/99/43/25/456994325.db2.gz AXVMIMQNMBXRET-ZBEGNZNMSA-N 0 0 331.347 3.296 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341912942 456996844 /nfs/dbraw/zinc/99/68/44/456996844.db2.gz DCDDGDSQOBJXSO-WCQYABFASA-N 0 0 349.412 3.059 10 5 EGBERN C[C@H](NC(=O)c1cc2nc[nH]c2cc1F)c1cccc([N+](=O)[O-])c1 ZINC000341919453 457000861 /nfs/dbraw/zinc/00/08/61/457000861.db2.gz ORUVFQVUBOIRDH-VIFPVBQESA-N 0 0 328.303 3.101 10 5 EGBERN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354011191 457006538 /nfs/dbraw/zinc/00/65/38/457006538.db2.gz RQDKAGADJKQEOS-VHSXEESVSA-N 0 0 346.305 3.399 10 5 EGBERN CCOCC(C)(C)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000341934115 457011416 /nfs/dbraw/zinc/01/14/16/457011416.db2.gz UIOKNMGFMWLJJU-HNNXBMFYSA-N 0 0 337.420 3.408 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000358867830 457013440 /nfs/dbraw/zinc/01/34/40/457013440.db2.gz CLKRVAJPDVJDOL-INIZCTEOSA-N 0 0 336.363 3.298 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3cc(C)ccc3CC2(C)C)n1 ZINC000358873545 457016791 /nfs/dbraw/zinc/01/67/91/457016791.db2.gz JMBCUFPOBACCIH-UHFFFAOYSA-N 0 0 342.399 3.097 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc(N3CCCC3=O)c2)n1 ZINC000359087187 457051193 /nfs/dbraw/zinc/05/11/93/457051193.db2.gz WZNQQZCLLBFARI-UHFFFAOYSA-N 0 0 326.356 3.477 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2ccc3c(c2)OCCO3)n1 ZINC000359086593 457051493 /nfs/dbraw/zinc/05/14/93/457051493.db2.gz VUYXUDYAEACZHB-UHFFFAOYSA-N 0 0 329.356 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000346576268 457054148 /nfs/dbraw/zinc/05/41/48/457054148.db2.gz UQDFTHGGZFIITH-GOSISDBHSA-N 0 0 338.342 3.403 10 5 EGBERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330605549 457060524 /nfs/dbraw/zinc/06/05/24/457060524.db2.gz ZEPCLCUKDHLHDP-RKDXNWHRSA-N 0 0 325.752 3.024 10 5 EGBERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330605547 457060952 /nfs/dbraw/zinc/06/09/52/457060952.db2.gz ZEPCLCUKDHLHDP-DTWKUNHWSA-N 0 0 325.752 3.024 10 5 EGBERN COc1c(C(=O)Nc2ccc3c(C)n[nH]c3c2)cccc1[N+](=O)[O-] ZINC000356630078 457091516 /nfs/dbraw/zinc/09/15/16/457091516.db2.gz VWIPQIGRQOFQNM-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000359706048 457121435 /nfs/dbraw/zinc/12/14/35/457121435.db2.gz KWRMZGYYYUZKIO-KOLCDFICSA-N 0 0 345.321 3.122 10 5 EGBERN CCCCCN(CCO)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000362968868 457180100 /nfs/dbraw/zinc/18/01/00/457180100.db2.gz FFWDTTXUHHLMRE-UHFFFAOYSA-N 0 0 328.796 3.181 10 5 EGBERN C[C@H](NCC(=O)Nc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000342284100 457211610 /nfs/dbraw/zinc/21/16/10/457211610.db2.gz QXASAYQFSXXERY-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN Cc1cc(C)nc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)c1 ZINC000356942618 457234482 /nfs/dbraw/zinc/23/44/82/457234482.db2.gz AEQCSKFBYITQTI-UHFFFAOYSA-N 0 0 340.295 3.052 10 5 EGBERN Cc1ccncc1N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000360066059 457235301 /nfs/dbraw/zinc/23/53/01/457235301.db2.gz MVMXWYSMVLNKDP-UHFFFAOYSA-N 0 0 330.363 3.072 10 5 EGBERN Cc1cc(N[C@@H](c2nc[nH]n2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000360066326 457236030 /nfs/dbraw/zinc/23/60/30/457236030.db2.gz OTYSSXAOLHVPNW-OAHLLOKOSA-N 0 0 327.319 3.362 10 5 EGBERN Cc1cc(C)nc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000356966786 457247061 /nfs/dbraw/zinc/24/70/61/457247061.db2.gz TZFYQFNTEAXPMR-UHFFFAOYSA-N 0 0 336.311 3.200 10 5 EGBERN Cc1cc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n(C)n1 ZINC000347177569 457273310 /nfs/dbraw/zinc/27/33/10/457273310.db2.gz FNXUUABKZGUZHA-UHFFFAOYSA-N 0 0 345.403 3.256 10 5 EGBERN O=C([C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347178422 457273646 /nfs/dbraw/zinc/27/36/46/457273646.db2.gz HCQULPCZQWLDLP-GFCCVEGCSA-N 0 0 337.807 3.087 10 5 EGBERN O=C1CCc2cc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)ccc2N1 ZINC000357090400 457317339 /nfs/dbraw/zinc/31/73/39/457317339.db2.gz VJIMWTKQMRABEL-UHFFFAOYSA-N 0 0 336.307 3.197 10 5 EGBERN COCCC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000347282405 457328366 /nfs/dbraw/zinc/32/83/66/457328366.db2.gz XZGVQBJRPHPUON-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CNC(=O)c1ccc(Cl)c(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352014993 457330841 /nfs/dbraw/zinc/33/08/41/457330841.db2.gz UTGXMZRAGSJSIF-UHFFFAOYSA-N 0 0 349.774 3.229 10 5 EGBERN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])N1CCC(c2ccccc2)=N1 ZINC000360818318 457368142 /nfs/dbraw/zinc/36/81/42/457368142.db2.gz ONCYMRDOSHIZRM-UHFFFAOYSA-N 0 0 348.362 3.186 10 5 EGBERN CO[C@H](C)c1noc(CN(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347375963 457385822 /nfs/dbraw/zinc/38/58/22/457385822.db2.gz SPPLBZMUGHFQNH-LLBKUYECSA-N 0 0 346.387 3.221 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(CC(F)F)C1 ZINC000425075384 457430889 /nfs/dbraw/zinc/43/08/89/457430889.db2.gz HOCWIIIBSZDOJO-UHFFFAOYSA-N 0 0 349.131 3.085 10 5 EGBERN COCc1cnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000342676872 457448172 /nfs/dbraw/zinc/44/81/72/457448172.db2.gz DARJCRHNRYABCL-UHFFFAOYSA-N 0 0 333.413 3.362 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000360949150 457455820 /nfs/dbraw/zinc/45/58/20/457455820.db2.gz HAUKOMXPBATZJT-UHFFFAOYSA-N 0 0 349.822 3.100 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000360965951 457473976 /nfs/dbraw/zinc/47/39/76/457473976.db2.gz LLFIDDXRTXOSTF-ZDUSSCGKSA-N 0 0 344.371 3.190 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000360971241 457479338 /nfs/dbraw/zinc/47/93/38/457479338.db2.gz QYDOQERKCOOMEV-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN CS[C@@H]1CCCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342745081 457494470 /nfs/dbraw/zinc/49/44/70/457494470.db2.gz UKPOWRHTUPRIFG-LLVKDONJSA-N 0 0 344.383 3.160 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361013569 457511011 /nfs/dbraw/zinc/51/10/11/457511011.db2.gz JTRUFBFFPJHLLR-UHFFFAOYSA-N 0 0 338.285 3.213 10 5 EGBERN CCn1c2cc(F)ccc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000352676635 457520578 /nfs/dbraw/zinc/52/05/78/457520578.db2.gz JAPFOQLAINLBJU-UHFFFAOYSA-N 0 0 343.318 3.059 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCc3cccc(OC)c32)c([N+](=O)[O-])c1 ZINC000347607894 457546524 /nfs/dbraw/zinc/54/65/24/457546524.db2.gz TWUIFDYCHNSIPH-ZDUSSCGKSA-N 0 0 342.351 3.281 10 5 EGBERN C[C@@H]1c2ccccc2CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361053989 457548249 /nfs/dbraw/zinc/54/82/49/457548249.db2.gz ASYGTDAAFWNYTP-CYBMUJFWSA-N 0 0 325.368 3.134 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@H]1C ZINC000361063722 457558781 /nfs/dbraw/zinc/55/87/81/457558781.db2.gz UXMHAHHVVQUOER-OLZOCXBDSA-N 0 0 325.368 3.499 10 5 EGBERN CCc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000361067130 457559809 /nfs/dbraw/zinc/55/98/09/457559809.db2.gz QGTBJIDMWAKNHP-UHFFFAOYSA-N 0 0 342.311 3.307 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425479198 457571078 /nfs/dbraw/zinc/57/10/78/457571078.db2.gz QNKJHYMTBGPCIS-SJLPKXTDSA-N 0 0 343.358 3.074 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000364447325 457607381 /nfs/dbraw/zinc/60/73/81/457607381.db2.gz IUGGDBLEMXEQLH-GPZRYRNASA-N 0 0 344.411 3.416 10 5 EGBERN CCNC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000357600853 457616396 /nfs/dbraw/zinc/61/63/96/457616396.db2.gz QCPVUMNHMBMBLT-UHFFFAOYSA-N 0 0 348.384 3.074 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356436449 457625171 /nfs/dbraw/zinc/62/51/71/457625171.db2.gz TVNWVOFYNVUCHH-LLVKDONJSA-N 0 0 340.788 3.082 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)c(OC)c1 ZINC000410344317 457638405 /nfs/dbraw/zinc/63/84/05/457638405.db2.gz IWJXQJAAGGSYAR-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1csc([N+](=O)[O-])c1 ZINC000374498623 457641937 /nfs/dbraw/zinc/64/19/37/457641937.db2.gz WEQARGAKUOCZIU-DOMZBBRYSA-N 0 0 332.381 3.164 10 5 EGBERN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374564361 457661799 /nfs/dbraw/zinc/66/17/99/457661799.db2.gz UOLOMVWGUYZNCP-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000364678676 457672323 /nfs/dbraw/zinc/67/23/23/457672323.db2.gz YDGUXZSNVMFKOA-XIKOKIGWSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000370631911 457686417 /nfs/dbraw/zinc/68/64/17/457686417.db2.gz UNGKJDPCRKDQMQ-LBPRGKRZSA-N 0 0 327.384 3.410 10 5 EGBERN Cc1ccncc1CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000357816147 457700619 /nfs/dbraw/zinc/70/06/19/457700619.db2.gz PMDZXXKDEMZQSM-UHFFFAOYSA-N 0 0 327.384 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cccc(F)c2C1 ZINC000374975059 457743868 /nfs/dbraw/zinc/74/38/68/457743868.db2.gz DNWBEJNYBRKTGK-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN COC(=O)c1cc(NCc2nccn2CC(C)C)cc(C)c1[N+](=O)[O-] ZINC000433405568 457829866 /nfs/dbraw/zinc/82/98/66/457829866.db2.gz HEHRNVBVUSIEFV-UHFFFAOYSA-N 0 0 346.387 3.154 10 5 EGBERN CC(C)(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000443966236 457831802 /nfs/dbraw/zinc/83/18/02/457831802.db2.gz SEZTWSRMXGEMFN-AWEZNQCLSA-N 0 0 340.383 3.370 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000361785776 457859263 /nfs/dbraw/zinc/85/92/63/457859263.db2.gz IIMHFVVSZKXXHZ-LLVKDONJSA-N 0 0 343.387 3.397 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC12CCC(CC1)CC2 ZINC000457897753 457861980 /nfs/dbraw/zinc/86/19/80/457861980.db2.gz HTJPJWHMTBQWOZ-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000433815826 457891779 /nfs/dbraw/zinc/89/17/79/457891779.db2.gz QAQVBOFQLBZKPR-VIFPVBQESA-N 0 0 332.278 3.160 10 5 EGBERN Cc1sc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000361841749 457901331 /nfs/dbraw/zinc/90/13/31/457901331.db2.gz GRRQVULUSLVHQR-QWHCGFSZSA-N 0 0 326.418 3.287 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000361865537 457916667 /nfs/dbraw/zinc/91/66/67/457916667.db2.gz BKUMVXCCFPLERP-LLVKDONJSA-N 0 0 349.412 3.421 10 5 EGBERN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)nn(C)c1C ZINC000444690805 457942209 /nfs/dbraw/zinc/94/22/09/457942209.db2.gz VOKHCOTUPWWRFZ-ZDUSSCGKSA-N 0 0 342.403 3.062 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000371508917 457967151 /nfs/dbraw/zinc/96/71/51/457967151.db2.gz AZSYGJJNNLJDTB-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@@H](Cc1cccc(O)c1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427635156 458012506 /nfs/dbraw/zinc/01/25/06/458012506.db2.gz AWJHCIYEXVDHPU-NSHDSACASA-N 0 0 339.351 3.143 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H](C)c2ccc(C)cc2)no1 ZINC000445230665 458029872 /nfs/dbraw/zinc/02/98/72/458029872.db2.gz LLSCKMMJBYFDPQ-LBPRGKRZSA-N 0 0 341.371 3.186 10 5 EGBERN CN(CCOc1ccccc1F)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427987025 458062314 /nfs/dbraw/zinc/06/23/14/458062314.db2.gz AEAMIWVJNOKXDA-UHFFFAOYSA-N 0 0 330.319 3.125 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C/c2ccccc2Cl)n1 ZINC000445576012 458065982 /nfs/dbraw/zinc/06/59/82/458065982.db2.gz HXVUMNISSBUEDR-VOTSOKGWSA-N 0 0 331.719 3.202 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1cncn1Cc1ccccc1)CC2 ZINC000445755854 458085263 /nfs/dbraw/zinc/08/52/63/458085263.db2.gz BUKZKYXSSNCCQO-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2N1 ZINC000371971816 458144100 /nfs/dbraw/zinc/14/41/00/458144100.db2.gz BATBQBBNPQIEJE-OAHLLOKOSA-N 0 0 326.356 3.087 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358694175 458154884 /nfs/dbraw/zinc/15/48/84/458154884.db2.gz FLHKTRZQXZFXSL-IRXDYDNUSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000446273501 458169606 /nfs/dbraw/zinc/16/96/06/458169606.db2.gz ASBXAGQARHXKKY-CYBMUJFWSA-N 0 0 326.780 3.054 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412330906 458170650 /nfs/dbraw/zinc/17/06/50/458170650.db2.gz UXTSWJCEOFBADG-IEBWSBKVSA-N 0 0 342.370 3.481 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000446650781 458211312 /nfs/dbraw/zinc/21/13/12/458211312.db2.gz YNHQJMICOZVESO-UHFFFAOYSA-N 0 0 336.417 3.258 10 5 EGBERN Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358811799 458232879 /nfs/dbraw/zinc/23/28/79/458232879.db2.gz QBGPPWYBMPONJV-QGZVFWFLSA-N 0 0 343.408 3.494 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000436012942 458237041 /nfs/dbraw/zinc/23/70/41/458237041.db2.gz AZVFAQFUCFFCCH-VIFPVBQESA-N 0 0 339.189 3.396 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccn2)CC1 ZINC000372233862 458241034 /nfs/dbraw/zinc/24/10/34/458241034.db2.gz ZHYNEVVTOKFKPH-UHFFFAOYSA-N 0 0 326.356 3.401 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1ccncc1)C1CC1 ZINC000362590941 458287479 /nfs/dbraw/zinc/28/74/79/458287479.db2.gz PPMLUQKYOHRTRQ-UHFFFAOYSA-N 0 0 347.321 3.002 10 5 EGBERN CC[C@H]1CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285557 458307568 /nfs/dbraw/zinc/30/75/68/458307568.db2.gz OLMRUOGZIFWPPI-NSHDSACASA-N 0 0 330.331 3.232 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4F)C3)nc2c1 ZINC000447678810 458328553 /nfs/dbraw/zinc/32/85/53/458328553.db2.gz LYBVMLJVUIKHJI-MRXNPFEDSA-N 0 0 342.330 3.188 10 5 EGBERN CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447696953 458330875 /nfs/dbraw/zinc/33/08/75/458330875.db2.gz VJKCZTKJWPYHNR-MGPLVRAMSA-N 0 0 344.346 3.220 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249183 458428687 /nfs/dbraw/zinc/42/86/87/458428687.db2.gz IBAWZDGNFJWOEZ-LDDOYCOJSA-N 0 0 334.416 3.314 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000430540769 458458887 /nfs/dbraw/zinc/45/88/87/458458887.db2.gz HKMIRNFDJVXKOW-YJYMSZOUSA-N 0 0 340.379 3.332 10 5 EGBERN CC[C@@](C)(CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)OC ZINC000452746299 458508419 /nfs/dbraw/zinc/50/84/19/458508419.db2.gz YOUMUZAZIDDUQU-FQEVSTJZSA-N 0 0 338.407 3.226 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n(C)n1 ZINC000461935649 458579971 /nfs/dbraw/zinc/57/99/71/458579971.db2.gz OEYJSDQUKKEGFX-CYBMUJFWSA-N 0 0 347.394 3.165 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424294499 458606895 /nfs/dbraw/zinc/60/68/95/458606895.db2.gz OYFLQURDCBFUMJ-RYQLBKOJSA-N 0 0 340.427 3.444 10 5 EGBERN CC1(C)CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000462313482 458610765 /nfs/dbraw/zinc/61/07/65/458610765.db2.gz FXDIKYBXDRBUCN-UHFFFAOYSA-N 0 0 346.836 3.495 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000470453602 458633507 /nfs/dbraw/zinc/63/35/07/458633507.db2.gz OXQKXVHEXCPDNA-NSHDSACASA-N 0 0 333.310 3.470 10 5 EGBERN C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC12CCCCC2 ZINC000462696164 458643347 /nfs/dbraw/zinc/64/33/47/458643347.db2.gz KQUKXRTWBZCHFH-ZDUSSCGKSA-N 0 0 329.404 3.434 10 5 EGBERN Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1C(N)=O ZINC000439112050 458656203 /nfs/dbraw/zinc/65/62/03/458656203.db2.gz IQBWFACONNGANX-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN O=C(c1ccn(C2CCCCC2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000470975864 458671729 /nfs/dbraw/zinc/67/17/29/458671729.db2.gz PBFIJHFLPJMARJ-UHFFFAOYSA-N 0 0 340.383 3.499 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439309288 458688276 /nfs/dbraw/zinc/68/82/76/458688276.db2.gz FQDZNHSKNUTCEJ-KBPBESRZSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1cc(C(=O)NCCc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000503695136 458721441 /nfs/dbraw/zinc/72/14/41/458721441.db2.gz FZEMNZZYNZUDBK-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000439847285 458758365 /nfs/dbraw/zinc/75/83/65/458758365.db2.gz BPYWQNFUTLQCEP-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(Cc2cccc(Cl)c2)CC1 ZINC000456729607 458766302 /nfs/dbraw/zinc/76/63/02/458766302.db2.gz LNAFOZKXFYNLSW-UHFFFAOYSA-N 0 0 345.786 3.457 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000456779595 458779717 /nfs/dbraw/zinc/77/97/17/458779717.db2.gz SMCINLLPKZGDKM-HUUCEWRRSA-N 0 0 342.399 3.032 10 5 EGBERN CNc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000530835567 458833365 /nfs/dbraw/zinc/83/33/65/458833365.db2.gz MHJKNWGHATXREO-MRXNPFEDSA-N 0 0 342.399 3.342 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000549194974 458878617 /nfs/dbraw/zinc/87/86/17/458878617.db2.gz VADUPEHXVGVAEX-OAHLLOKOSA-N 0 0 338.432 3.305 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000441187695 458897555 /nfs/dbraw/zinc/89/75/55/458897555.db2.gz HVHKDLYDAXCAJJ-INWMFGNUSA-N 0 0 335.404 3.221 10 5 EGBERN CCOC(=O)c1cnn(Cc2ccc(F)cc2[N+](=O)[O-])c1C(F)F ZINC000519001202 458907185 /nfs/dbraw/zinc/90/71/85/458907185.db2.gz SZKJLOWBJPUHPI-UHFFFAOYSA-N 0 0 343.261 3.093 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)nc1 ZINC000531629434 458948638 /nfs/dbraw/zinc/94/86/38/458948638.db2.gz MJAKWWNFFSSLLI-UHFFFAOYSA-N 0 0 337.089 3.062 10 5 EGBERN C[C@@H]1CC[C@@H](CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000577096105 458979857 /nfs/dbraw/zinc/97/98/57/458979857.db2.gz IZDADAXCWSBGDY-DOMZBBRYSA-N 0 0 345.399 3.083 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476136984 458980767 /nfs/dbraw/zinc/98/07/67/458980767.db2.gz GVRFJPDWAYHXLA-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COc1cc(N(C)Cc2ncc(C)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000467782891 458987282 /nfs/dbraw/zinc/98/72/82/458987282.db2.gz CFMPXODBWRRGLV-UHFFFAOYSA-N 0 0 349.362 3.399 10 5 EGBERN O=C(Nc1cc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])cn1 ZINC000531882421 458994213 /nfs/dbraw/zinc/99/42/13/458994213.db2.gz BLPVTXOOPUPMMG-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888101 458995655 /nfs/dbraw/zinc/99/56/55/458995655.db2.gz VSOALSJKCXKFFF-VHSXEESVSA-N 0 0 331.294 3.088 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000476857478 459019701 /nfs/dbraw/zinc/01/97/01/459019701.db2.gz VSQZXJBNEFNNDO-PWSUYJOCSA-N 0 0 345.321 3.467 10 5 EGBERN O=C(Nc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532134035 459034592 /nfs/dbraw/zinc/03/45/92/459034592.db2.gz SNBQBOLFIJZYBT-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CCc1ccc(CN(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000557456051 459072756 /nfs/dbraw/zinc/07/27/56/459072756.db2.gz BBWCHOCZUPGZCN-UHFFFAOYSA-N 0 0 343.383 3.284 10 5 EGBERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397479 459080575 /nfs/dbraw/zinc/08/05/75/459080575.db2.gz UFDGQVTYBORALF-QFYYESIMSA-N 0 0 329.331 3.182 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594538844 459082774 /nfs/dbraw/zinc/08/27/74/459082774.db2.gz VQCOHRDKTUZGBD-CABCVRRESA-N 0 0 337.351 3.203 10 5 EGBERN CCOC(=O)CCC1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000594568147 459093527 /nfs/dbraw/zinc/09/35/27/459093527.db2.gz JYYJKRBTLQSEEF-UHFFFAOYSA-N 0 0 336.388 3.163 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594592207 459101945 /nfs/dbraw/zinc/10/19/45/459101945.db2.gz QTXYORFXIJVPAE-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000590399134 459123856 /nfs/dbraw/zinc/12/38/56/459123856.db2.gz CECDUIDNMQSVSZ-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN CC[C@H](NC(=O)c1cccc2oc(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000590442842 459131868 /nfs/dbraw/zinc/13/18/68/459131868.db2.gz SYGAWCXGZKJHCN-ZDUSSCGKSA-N 0 0 341.323 3.323 10 5 EGBERN O=C(CC1CCSCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558150909 459135311 /nfs/dbraw/zinc/13/53/11/459135311.db2.gz SSMXBMGWVUVYMH-UHFFFAOYSA-N 0 0 347.440 3.268 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000594734431 459145342 /nfs/dbraw/zinc/14/53/42/459145342.db2.gz ZOTCLFYZJKUDII-KRWDZBQOSA-N 0 0 348.399 3.074 10 5 EGBERN CC(C)O[C@]1(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOC1 ZINC000594889927 459167671 /nfs/dbraw/zinc/16/76/71/459167671.db2.gz DHQWGQCRFLEPHG-KRWDZBQOSA-N 0 0 331.372 3.042 10 5 EGBERN O=[N+]([O-])c1cn(Cc2cccc(F)c2OC(F)F)nc1C1CC1 ZINC000594894784 459168879 /nfs/dbraw/zinc/16/88/79/459168879.db2.gz GMIIRSSEVIAXQO-UHFFFAOYSA-N 0 0 327.262 3.458 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000558532071 459172197 /nfs/dbraw/zinc/17/21/97/459172197.db2.gz XFTPOWGHCDHVCK-NSHDSACASA-N 0 0 346.770 3.293 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590707234 459190571 /nfs/dbraw/zinc/19/05/71/459190571.db2.gz BCMAEIRYZXAWHL-IIYDPXPESA-N 0 0 341.411 3.440 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000590715070 459192766 /nfs/dbraw/zinc/19/27/66/459192766.db2.gz QACGBEURJOIFSY-FRFSOERESA-N 0 0 327.384 3.273 10 5 EGBERN O=[N+]([O-])c1c(NC2CCC(OC(F)F)CC2)nc2sccn21 ZINC000590732319 459198746 /nfs/dbraw/zinc/19/87/46/459198746.db2.gz LFDVBHIDZUKWBG-UHFFFAOYSA-N 0 0 332.332 3.266 10 5 EGBERN Nc1cc(N2CCC[C@@H]2c2ccc(F)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000590736778 459200194 /nfs/dbraw/zinc/20/01/94/459200194.db2.gz DSWKXIRBKXUWKG-MRXNPFEDSA-N 0 0 349.337 3.289 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(S[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000481125495 459235069 /nfs/dbraw/zinc/23/50/69/459235069.db2.gz TYYXWPBJFPIAIQ-SECBINFHSA-N 0 0 341.385 3.204 10 5 EGBERN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595279092 459266380 /nfs/dbraw/zinc/26/63/80/459266380.db2.gz HJYDVUOJLAFXJP-HNNXBMFYSA-N 0 0 340.379 3.455 10 5 EGBERN Cc1noc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)c1[N+](=O)[O-] ZINC000595421769 459296130 /nfs/dbraw/zinc/29/61/30/459296130.db2.gz UROTZDAGOHWLAC-LLVKDONJSA-N 0 0 341.371 3.236 10 5 EGBERN Cc1c(Cl)cc(F)c(NC(=O)c2cc([N+](=O)[O-])cn2C)c1F ZINC000534193545 459297800 /nfs/dbraw/zinc/29/78/00/459297800.db2.gz YEBJQRHOHOIVRB-UHFFFAOYSA-N 0 0 329.690 3.426 10 5 EGBERN COc1ccc(CNC(=O)N2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000595447127 459304513 /nfs/dbraw/zinc/30/45/13/459304513.db2.gz FWCVGAXQCRGJSA-HNNXBMFYSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(F)F ZINC000568544052 459306045 /nfs/dbraw/zinc/30/60/45/459306045.db2.gz MEYXCRPNOUCVSH-VIFPVBQESA-N 0 0 325.315 3.026 10 5 EGBERN Cc1noc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1[N+](=O)[O-] ZINC000595494333 459324453 /nfs/dbraw/zinc/32/44/53/459324453.db2.gz AMMCHTCQVGWOFH-LBPRGKRZSA-N 0 0 347.375 3.269 10 5 EGBERN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595573062 459351705 /nfs/dbraw/zinc/35/17/05/459351705.db2.gz KHLPKGXCYBOFJY-GRTSSRMGSA-N 0 0 337.395 3.353 10 5 EGBERN Cc1c(CNC(=O)NCC[C@@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000595588749 459356917 /nfs/dbraw/zinc/35/69/17/459356917.db2.gz UXYVVZPGJXBBOP-AWEZNQCLSA-N 0 0 327.331 3.138 10 5 EGBERN CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000582507393 459376700 /nfs/dbraw/zinc/37/67/00/459376700.db2.gz QMSUCGGZLDHSTM-OAHLLOKOSA-N 0 0 329.356 3.222 10 5 EGBERN COc1c(C(=O)Nc2cccc(C)c2C(C)=O)cccc1[N+](=O)[O-] ZINC000484209656 459408292 /nfs/dbraw/zinc/40/82/92/459408292.db2.gz PYFCPDDXPHWRMB-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525038100 459412275 /nfs/dbraw/zinc/41/22/75/459412275.db2.gz RMNVWVSBEPFDBC-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000540996142 459416472 /nfs/dbraw/zinc/41/64/72/459416472.db2.gz YEOGLQGMYFXQSV-KSSFIOAISA-N 0 0 331.416 3.359 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](COc2ccccc2)C1 ZINC000484567651 459420768 /nfs/dbraw/zinc/42/07/68/459420768.db2.gz NZCHOKOYDGQFIZ-WBVHZDCISA-N 0 0 342.395 3.436 10 5 EGBERN CSCCCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561384854 459448626 /nfs/dbraw/zinc/44/86/26/459448626.db2.gz DYBHUOBLNFXEKZ-UHFFFAOYSA-N 0 0 335.429 3.268 10 5 EGBERN CC(C)c1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458622 459454885 /nfs/dbraw/zinc/45/48/85/459454885.db2.gz DCWCCSGTSBZQAF-KRWDZBQOSA-N 0 0 336.457 3.426 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885729 459474406 /nfs/dbraw/zinc/47/44/06/459474406.db2.gz IQFZYMIOQZBQKP-NSHDSACASA-N 0 0 338.713 3.401 10 5 EGBERN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485978479 459482796 /nfs/dbraw/zinc/48/27/96/459482796.db2.gz JMFFOGVFZFMWDT-GDBMZVCRSA-N 0 0 334.326 3.125 10 5 EGBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C(F)(F)F)O1 ZINC000591918717 459484022 /nfs/dbraw/zinc/48/40/22/459484022.db2.gz WTSXBYVRBYQJTJ-NOZJJQNGSA-N 0 0 345.321 3.025 10 5 EGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@](C)(C(F)F)O1 ZINC000595915980 459485672 /nfs/dbraw/zinc/48/56/72/459485672.db2.gz JUHUTAOYWRVECM-LKFCYVNXSA-N 0 0 334.750 3.493 10 5 EGBERN COc1cc(CN2CCC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541845408 459497625 /nfs/dbraw/zinc/49/76/25/459497625.db2.gz WKKRWNZVXJPLGB-UHFFFAOYSA-N 0 0 330.331 3.232 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@]1(O)CCOC1 ZINC000591988993 459506357 /nfs/dbraw/zinc/50/63/57/459506357.db2.gz YNEXZQNLSPPKAC-AWEZNQCLSA-N 0 0 348.321 3.203 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2COC)[C@@H]1SC ZINC000591991851 459507608 /nfs/dbraw/zinc/50/76/08/459507608.db2.gz ZKNDTEWALGWWCZ-KFWWJZLASA-N 0 0 326.418 3.062 10 5 EGBERN COc1cc(N[C@@H]2c3ccccc3C[C@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000596079058 459511210 /nfs/dbraw/zinc/51/12/10/459511210.db2.gz XMCBAZOOVCDJPV-GDBMZVCRSA-N 0 0 334.759 3.327 10 5 EGBERN CCOCCCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596082221 459514024 /nfs/dbraw/zinc/51/40/24/459514024.db2.gz OYSDOZOWTMKGFJ-UHFFFAOYSA-N 0 0 330.768 3.263 10 5 EGBERN CCOC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596089318 459516034 /nfs/dbraw/zinc/51/60/34/459516034.db2.gz YBFNTESVJSGMPY-UHFFFAOYSA-N 0 0 342.779 3.040 10 5 EGBERN CCc1ccc(O)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000486804726 459522724 /nfs/dbraw/zinc/52/27/24/459522724.db2.gz VVTSLAUWTMGYSZ-UHFFFAOYSA-N 0 0 336.294 3.322 10 5 EGBERN CC(C)[C@H]1CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569897723 459526388 /nfs/dbraw/zinc/52/63/88/459526388.db2.gz LMONYWQKFBUXOX-QGZVFWFLSA-N 0 0 344.415 3.449 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000592113281 459526532 /nfs/dbraw/zinc/52/65/32/459526532.db2.gz OJNQQVGCHZSMOI-INIZCTEOSA-N 0 0 338.429 3.079 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592123947 459528916 /nfs/dbraw/zinc/52/89/16/459528916.db2.gz ZNCZIUUEYKYAFU-SOUVJXGZSA-N 0 0 329.400 3.457 10 5 EGBERN Cc1c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000592130622 459530830 /nfs/dbraw/zinc/53/08/30/459530830.db2.gz IJVISNCUSIRADZ-JSGCOSHPSA-N 0 0 332.322 3.038 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596133336 459532634 /nfs/dbraw/zinc/53/26/34/459532634.db2.gz HUDPOMOAFUQTAA-CYBMUJFWSA-N 0 0 327.384 3.070 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1nccs1)[C@H]1CC[C@H](O)CC1 ZINC000592132548 459532773 /nfs/dbraw/zinc/53/27/73/459532773.db2.gz IVLVXYFFFRGLGO-SHTZXODSSA-N 0 0 347.440 3.357 10 5 EGBERN CCOc1cc(N2CCN(CC(F)F)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000497551445 459543443 /nfs/dbraw/zinc/54/34/43/459543443.db2.gz HYVKHBKAIJLBBQ-GFCCVEGCSA-N 0 0 343.374 3.159 10 5 EGBERN COc1cccc([C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCO2)c1 ZINC000596168162 459546123 /nfs/dbraw/zinc/54/61/23/459546123.db2.gz LTSRTICNXQMRIU-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596182128 459551718 /nfs/dbraw/zinc/55/17/18/459551718.db2.gz OIMGXBMAORPOIJ-ZJUUUORDSA-N 0 0 342.779 3.262 10 5 EGBERN CCC(=O)c1ccc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000583545471 459556229 /nfs/dbraw/zinc/55/62/29/459556229.db2.gz FHDWMQAZGJHMJH-UHFFFAOYSA-N 0 0 344.323 3.470 10 5 EGBERN CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000526775508 459557229 /nfs/dbraw/zinc/55/72/29/459557229.db2.gz BEMLKPZJCGDYKS-UHFFFAOYSA-N 0 0 333.731 3.488 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596228162 459568425 /nfs/dbraw/zinc/56/84/25/459568425.db2.gz XFJODDNWYNCMRL-LBPRGKRZSA-N 0 0 337.738 3.312 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCc2nc[nH]c2C1 ZINC000596238623 459571173 /nfs/dbraw/zinc/57/11/73/459571173.db2.gz PTXMBUIDVWICIR-MRVPVSSYSA-N 0 0 337.177 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc(N(C)C)cn3)CC2)c1 ZINC000596243572 459573195 /nfs/dbraw/zinc/57/31/95/459573195.db2.gz IFPDYEVZBNNRLU-UHFFFAOYSA-N 0 0 329.404 3.007 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000596259516 459578044 /nfs/dbraw/zinc/57/80/44/459578044.db2.gz UROJPNMTMOXTJN-NSHDSACASA-N 0 0 340.763 3.016 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596259191 459578249 /nfs/dbraw/zinc/57/82/49/459578249.db2.gz UKHNKRHTKGNPPF-CLAHSXSESA-N 0 0 342.779 3.260 10 5 EGBERN O=[N+]([O-])c1cc(N2CCO[C@@]3(CCSC3)C2)ccc1C(F)(F)F ZINC000596286158 459584627 /nfs/dbraw/zinc/58/46/27/459584627.db2.gz KFWVXVGJIWWXKL-ZDUSSCGKSA-N 0 0 348.346 3.326 10 5 EGBERN CC[C@H](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288508 459585640 /nfs/dbraw/zinc/58/56/40/459585640.db2.gz JUJPDSGTHUZMMI-VHSXEESVSA-N 0 0 344.795 3.244 10 5 EGBERN CC1(C)CCC[C@@H]1[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289157 459586136 /nfs/dbraw/zinc/58/61/36/459586136.db2.gz WHGTZGBGAYLCNP-SWLSCSKDSA-N 0 0 331.416 3.346 10 5 EGBERN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc([N+](=O)[O-])cc1C ZINC000542739682 459586357 /nfs/dbraw/zinc/58/63/57/459586357.db2.gz MCPKKTCUYSKENF-MRXNPFEDSA-N 0 0 331.416 3.447 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@H]1CCCOC1 ZINC000596294370 459587400 /nfs/dbraw/zinc/58/74/00/459587400.db2.gz ZHELFTPGZDMDPA-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC(c4ccco4)CC3)c([N+](=O)[O-])cc12 ZINC000596335324 459599023 /nfs/dbraw/zinc/59/90/23/459599023.db2.gz VBQHLOFIVGZIHH-UHFFFAOYSA-N 0 0 340.339 3.221 10 5 EGBERN CO[C@H](CSCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000596333206 459599535 /nfs/dbraw/zinc/59/95/35/459599535.db2.gz FXUNOGPSHXETMF-XJKSGUPXSA-N 0 0 341.429 3.148 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ncnn21 ZINC000596342628 459602368 /nfs/dbraw/zinc/60/23/68/459602368.db2.gz IBFVZJPGVIEMQA-XCBNKYQSSA-N 0 0 338.165 3.067 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455184 459641555 /nfs/dbraw/zinc/64/15/55/459641555.db2.gz PUOKECKLZJSABF-WWGRRREGSA-N 0 0 335.404 3.255 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC000596468842 459647332 /nfs/dbraw/zinc/64/73/32/459647332.db2.gz IUPAONRVPRPLFU-DLBZAZTESA-N 0 0 341.411 3.209 10 5 EGBERN Cc1cc(N2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596481667 459651285 /nfs/dbraw/zinc/65/12/85/459651285.db2.gz ZWUYMSLTUONYJR-HZMBPMFUSA-N 0 0 330.306 3.395 10 5 EGBERN Cc1ccc(CC2CN(c3nc4sccn4c3[N+](=O)[O-])C2)cc1 ZINC000596485460 459653479 /nfs/dbraw/zinc/65/34/79/459653479.db2.gz JEDMGFMAADWGQH-UHFFFAOYSA-N 0 0 328.397 3.291 10 5 EGBERN COC(=O)C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000596495465 459656256 /nfs/dbraw/zinc/65/62/56/459656256.db2.gz XWDLVKXFQWXPBT-VIFPVBQESA-N 0 0 347.293 3.010 10 5 EGBERN CNC(=O)c1ccc(NC2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000596504449 459660128 /nfs/dbraw/zinc/66/01/28/459660128.db2.gz ZTYQFHBODFDHET-UHFFFAOYSA-N 0 0 339.342 3.334 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](O)C23CCC3)c(Br)c1 ZINC000596513293 459662336 /nfs/dbraw/zinc/66/23/36/459662336.db2.gz UKIKTNRCUODILI-RYUDHWBXSA-N 0 0 327.178 3.073 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC(F)F ZINC000592673491 459662512 /nfs/dbraw/zinc/66/25/12/459662512.db2.gz VZCKJZHPFHUXQZ-SSDOTTSWSA-N 0 0 338.257 3.217 10 5 EGBERN CC(C)Oc1nc(N2CC3(CCCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596515309 459662722 /nfs/dbraw/zinc/66/27/22/459662722.db2.gz NBAGQDXKNYYQMP-CYBMUJFWSA-N 0 0 335.404 3.315 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCC(F)CC1 ZINC000596514397 459662819 /nfs/dbraw/zinc/66/28/19/459662819.db2.gz LSVKCXDYMWFFRG-UNXYVOJBSA-N 0 0 344.408 3.327 10 5 EGBERN O=C(N[C@H](C1CCC1)C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592680998 459664010 /nfs/dbraw/zinc/66/40/10/459664010.db2.gz KBYFJVQKMQUQFK-KRWDZBQOSA-N 0 0 346.383 3.412 10 5 EGBERN CC(C)(C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1)n1cc([N+](=O)[O-])cn1 ZINC000592696139 459668478 /nfs/dbraw/zinc/66/84/78/459668478.db2.gz SYKJCUHUZBPGNM-HIFRSBDPSA-N 0 0 348.447 3.201 10 5 EGBERN C[C@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000592696969 459669421 /nfs/dbraw/zinc/66/94/21/459669421.db2.gz ITJLMCNRUKVJBV-GMXVVIOVSA-N 0 0 338.379 3.300 10 5 EGBERN COc1cc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596554972 459675323 /nfs/dbraw/zinc/67/53/23/459675323.db2.gz NNDKQKOUYHFECX-KOLCDFICSA-N 0 0 334.294 3.150 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000596557530 459676187 /nfs/dbraw/zinc/67/61/87/459676187.db2.gz IVFUUCJAERXSDM-LBPRGKRZSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596574037 459682149 /nfs/dbraw/zinc/68/21/49/459682149.db2.gz MOWGGKHKXTZFNG-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN CO[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000596580519 459683916 /nfs/dbraw/zinc/68/39/16/459683916.db2.gz NSPVPVWRVMSFQE-CQSZACIVSA-N 0 0 332.360 3.495 10 5 EGBERN CC(C)(CNc1ncnc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000596582315 459684148 /nfs/dbraw/zinc/68/41/48/459684148.db2.gz HEJFHXQXJZVTBU-UHFFFAOYSA-N 0 0 328.294 3.350 10 5 EGBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(F)(F)F ZINC000596585268 459685614 /nfs/dbraw/zinc/68/56/14/459685614.db2.gz PKOIUCFOOFJMIU-UHFFFAOYSA-N 0 0 344.293 3.056 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598621 459692659 /nfs/dbraw/zinc/69/26/59/459692659.db2.gz JBOYSMZQVIRUJJ-CYBMUJFWSA-N 0 0 328.416 3.474 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000584251924 459692903 /nfs/dbraw/zinc/69/29/03/459692903.db2.gz MNMPESRFOTYMCJ-CQSZACIVSA-N 0 0 338.367 3.009 10 5 EGBERN Cc1ccn([C@H](C)Cc2nc(-c3cccc([N+](=O)[O-])c3C)no2)n1 ZINC000596601161 459693163 /nfs/dbraw/zinc/69/31/63/459693163.db2.gz PCROREKSKVTSDX-LLVKDONJSA-N 0 0 327.344 3.262 10 5 EGBERN CCOC(=O)c1ccnc(Oc2cccc3c2CCC3)c1[N+](=O)[O-] ZINC000563049664 459705020 /nfs/dbraw/zinc/70/50/20/459705020.db2.gz PRUBGGYVFJIYFS-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN Cc1cc(-c2cc([N+](=O)[O-])ccc2CCO)cc2c1NC(=O)C2(C)C ZINC000596647899 459714130 /nfs/dbraw/zinc/71/41/30/459714130.db2.gz YQGUJJIFFKALJN-UHFFFAOYSA-N 0 0 340.379 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2CCC(F)CC2)c1 ZINC000592897593 459715700 /nfs/dbraw/zinc/71/57/00/459715700.db2.gz GXCZPGOVHKOIEC-UHFFFAOYSA-N 0 0 338.379 3.317 10 5 EGBERN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000596665798 459720728 /nfs/dbraw/zinc/72/07/28/459720728.db2.gz PWABXBLJCXNIIU-CYBMUJFWSA-N 0 0 342.399 3.328 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000593014123 459739766 /nfs/dbraw/zinc/73/97/66/459739766.db2.gz SSXBEHAMZQUKCT-NWDGAFQWSA-N 0 0 334.372 3.291 10 5 EGBERN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000584505689 459755336 /nfs/dbraw/zinc/75/53/36/459755336.db2.gz UUDDVSOZIKXLEF-OAHLLOKOSA-N 0 0 349.774 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000596788744 459762655 /nfs/dbraw/zinc/76/26/55/459762655.db2.gz WOFAIAZXBPZANT-DYVFJYSZSA-N 0 0 343.383 3.455 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000596788757 459762783 /nfs/dbraw/zinc/76/27/83/459762783.db2.gz WUUJKIPYIHWNFM-UHFFFAOYSA-N 0 0 349.387 3.017 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000596821361 459770722 /nfs/dbraw/zinc/77/07/22/459770722.db2.gz UKXVESRNYMCWJW-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(Cc2ccsc2)CC1 ZINC000544609232 459771978 /nfs/dbraw/zinc/77/19/78/459771978.db2.gz NEBMJZISKXREAM-UHFFFAOYSA-N 0 0 331.441 3.283 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596838152 459775294 /nfs/dbraw/zinc/77/52/94/459775294.db2.gz KDEAGOMPNWIJBG-CYBMUJFWSA-N 0 0 334.420 3.206 10 5 EGBERN Cc1ccncc1CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000596840002 459775352 /nfs/dbraw/zinc/77/53/52/459775352.db2.gz XEUBPSDIQIPDNR-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000544658967 459775600 /nfs/dbraw/zinc/77/56/00/459775600.db2.gz YDYBTKAJIFYWGL-JKSUJKDBSA-N 0 0 348.443 3.128 10 5 EGBERN C[C@H](NC(=O)[C@H]1COC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596840887 459775727 /nfs/dbraw/zinc/77/57/27/459775727.db2.gz DWCLURHNLPDEFP-VHSSKADRSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593132810 459783138 /nfs/dbraw/zinc/78/31/38/459783138.db2.gz YZMQCVLFUBZJPV-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN CC(C)CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000593183886 459799422 /nfs/dbraw/zinc/79/94/22/459799422.db2.gz MYULQYMQYUXJRU-UHFFFAOYSA-N 0 0 347.346 3.197 10 5 EGBERN CC(C)CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000593184148 459799449 /nfs/dbraw/zinc/79/94/49/459799449.db2.gz XGOXMBFCUMAMGX-UHFFFAOYSA-N 0 0 331.347 3.361 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000574290793 459803502 /nfs/dbraw/zinc/80/35/02/459803502.db2.gz RVYDOTQVFAYRGT-MRXNPFEDSA-N 0 0 332.400 3.180 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237032 459815853 /nfs/dbraw/zinc/81/58/53/459815853.db2.gz HFSQXIPAFZJMGD-UHFFFAOYSA-N 0 0 332.253 3.101 10 5 EGBERN Nc1c(NC(=O)N(CC2CC2)CC2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597092337 459835370 /nfs/dbraw/zinc/83/53/70/459835370.db2.gz LLMDCUCQIYROJI-UHFFFAOYSA-N 0 0 338.795 3.484 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1(F)F ZINC000597091869 459835739 /nfs/dbraw/zinc/83/57/39/459835739.db2.gz DFTXYVJBPPRLSV-ZETCQYMHSA-N 0 0 348.737 3.339 10 5 EGBERN CSc1ccc(C(=O)N2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593318050 459839780 /nfs/dbraw/zinc/83/97/80/459839780.db2.gz UJPWILWDNMLGEK-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN COCc1ccnc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000593368334 459868494 /nfs/dbraw/zinc/86/84/94/459868494.db2.gz DISDHDSFLVIZJW-SNVBAGLBSA-N 0 0 333.319 3.018 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593374243 459871332 /nfs/dbraw/zinc/87/13/32/459871332.db2.gz XSKFCRLNKJXGCW-ABAIWWIYSA-N 0 0 339.342 3.405 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000598350023 459875173 /nfs/dbraw/zinc/87/51/73/459875173.db2.gz LITVMWPKYHWDAQ-HUUCEWRRSA-N 0 0 334.397 3.144 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000598350476 459875509 /nfs/dbraw/zinc/87/55/09/459875509.db2.gz JKGBEZPIVORHFY-CQSZACIVSA-N 0 0 332.400 3.385 10 5 EGBERN COCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000608854303 459891144 /nfs/dbraw/zinc/89/11/44/459891144.db2.gz DMVKWYXQXIOWEW-UHFFFAOYSA-N 0 0 331.372 3.107 10 5 EGBERN CC(C)Oc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587137660 459891263 /nfs/dbraw/zinc/89/12/63/459891263.db2.gz ZTKWAMQXWOKDCF-UHFFFAOYSA-N 0 0 331.372 3.069 10 5 EGBERN C[C@@H](c1ccc(F)c(F)c1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587127635 459891759 /nfs/dbraw/zinc/89/17/59/459891759.db2.gz CNGLBERTMUSXSE-VIFPVBQESA-N 0 0 337.326 3.145 10 5 EGBERN O=C1CCCCCN1CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593455127 459894541 /nfs/dbraw/zinc/89/45/41/459894541.db2.gz QXGFZDTZIRTFBG-UHFFFAOYSA-N 0 0 342.399 3.348 10 5 EGBERN C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC[C@@H]1C ZINC000593462695 459896502 /nfs/dbraw/zinc/89/65/02/459896502.db2.gz ZDPYOQISJYSYFK-QWHCGFSZSA-N 0 0 342.399 3.344 10 5 EGBERN COc1ccc(OC2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000608972897 459897334 /nfs/dbraw/zinc/89/73/34/459897334.db2.gz SMFGDYZDLRDMTD-UHFFFAOYSA-N 0 0 329.356 3.046 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCc1cn2c(n1)SCC2 ZINC000593468289 459898523 /nfs/dbraw/zinc/89/85/23/459898523.db2.gz RCLLPRBVWSEUII-UHFFFAOYSA-N 0 0 341.396 3.100 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(CC)CC ZINC000587992523 459899034 /nfs/dbraw/zinc/89/90/34/459899034.db2.gz WRRNZKQTHQHKEP-CABCVRRESA-N 0 0 337.420 3.065 10 5 EGBERN CCS[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587991581 459899360 /nfs/dbraw/zinc/89/93/60/459899360.db2.gz WSJQQICVNPDHDR-AAEUAGOBSA-N 0 0 325.434 3.146 10 5 EGBERN C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587989917 459899368 /nfs/dbraw/zinc/89/93/68/459899368.db2.gz HEIVUYYGAGMZFO-DZGCQCFKSA-N 0 0 341.411 3.127 10 5 EGBERN Nc1cc(N[C@H]2CCCOc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000588013264 459902575 /nfs/dbraw/zinc/90/25/75/459902575.db2.gz JUILBTXSVIXRPF-HNNXBMFYSA-N 0 0 347.346 3.134 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598459995 459903062 /nfs/dbraw/zinc/90/30/62/459903062.db2.gz UTWXLJRFOZCBPB-BPQIPLTHSA-N 0 0 340.354 3.419 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000597283966 459903714 /nfs/dbraw/zinc/90/37/14/459903714.db2.gz XPHYDXNDQJNRDX-RHSMWYFYSA-N 0 0 349.431 3.027 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598464665 459903839 /nfs/dbraw/zinc/90/38/39/459903839.db2.gz LAZALXNERXXPRS-UHFFFAOYSA-N 0 0 339.342 3.416 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ncc2c(n1)CCOC2 ZINC000593489086 459905340 /nfs/dbraw/zinc/90/53/40/459905340.db2.gz PZQXGKWJVSDAHW-UHFFFAOYSA-N 0 0 334.763 3.031 10 5 EGBERN CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000598469289 459905585 /nfs/dbraw/zinc/90/55/85/459905585.db2.gz PMMYWNOKQURJHT-UHFFFAOYSA-N 0 0 345.355 3.023 10 5 EGBERN COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000609128355 459906762 /nfs/dbraw/zinc/90/67/62/459906762.db2.gz ZLEJSHCSTAQGJL-LSDHHAIUSA-N 0 0 334.416 3.477 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000597349405 459924539 /nfs/dbraw/zinc/92/45/39/459924539.db2.gz OZUFOWOWVKBQCS-LLVKDONJSA-N 0 0 329.356 3.189 10 5 EGBERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598506900 459924793 /nfs/dbraw/zinc/92/47/93/459924793.db2.gz HJDKOMJPSLAHCH-PWSUYJOCSA-N 0 0 346.305 3.085 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](CC2CC2)c2ccccc2)c1[N+](=O)[O-] ZINC000618220189 459934345 /nfs/dbraw/zinc/93/43/45/459934345.db2.gz RHNOHBBNYVIHKQ-CQSZACIVSA-N 0 0 328.372 3.152 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC1(F)F ZINC000588232678 459934483 /nfs/dbraw/zinc/93/44/83/459934483.db2.gz VUXMPHWCKDBQRB-GWCFXTLKSA-N 0 0 327.331 3.089 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(O)CCC(C)CC1 ZINC000598560418 459937196 /nfs/dbraw/zinc/93/71/96/459937196.db2.gz LMSXTCIGRJITPU-UHFFFAOYSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000598567845 459941327 /nfs/dbraw/zinc/94/13/27/459941327.db2.gz HFAKRBRRJQRJHF-BZNIZROVSA-N 0 0 342.342 3.096 10 5 EGBERN CCS[C@@H]1CCC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598602544 459960883 /nfs/dbraw/zinc/96/08/83/459960883.db2.gz SYFXUBFHTSIJKW-WDEREUQCSA-N 0 0 339.417 3.253 10 5 EGBERN COC(=O)c1ccnc(NCc2cc(C3CC3)ccc2F)c1[N+](=O)[O-] ZINC000598628779 459968198 /nfs/dbraw/zinc/96/81/98/459968198.db2.gz REZNESCGTWARKP-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000597480514 459969290 /nfs/dbraw/zinc/96/92/90/459969290.db2.gz PKOWNVVHLOCEDL-NHYWBVRUSA-N 0 0 340.807 3.112 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000598640192 459973733 /nfs/dbraw/zinc/97/37/33/459973733.db2.gz WJXJGFKFTOJIHA-ZETCQYMHSA-N 0 0 334.706 3.492 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593761417 459977838 /nfs/dbraw/zinc/97/78/38/459977838.db2.gz MZAAHVKRGMXEIE-UHFFFAOYSA-N 0 0 326.299 3.355 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN(C)Cc1c(C)cc(C)nc1OC ZINC000598650704 459978191 /nfs/dbraw/zinc/97/81/91/459978191.db2.gz WLUXIGATFGZCNE-UHFFFAOYSA-N 0 0 345.399 3.256 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588785881 459982471 /nfs/dbraw/zinc/98/24/71/459982471.db2.gz AFBMSGCWGGMADB-SNVBAGLBSA-N 0 0 349.131 3.275 10 5 EGBERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593785280 459984795 /nfs/dbraw/zinc/98/47/95/459984795.db2.gz ZWMBGUQUZOBJRG-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN CC(C)O[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000593788252 459986270 /nfs/dbraw/zinc/98/62/70/459986270.db2.gz ZHBSCWSXKVZIBF-CYBMUJFWSA-N 0 0 331.372 3.106 10 5 EGBERN COC(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1F ZINC000618412308 460003727 /nfs/dbraw/zinc/00/37/27/460003727.db2.gz MEVIOEQTVGINSI-UHFFFAOYSA-N 0 0 349.299 3.299 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccccc2CC1 ZINC000588928596 460006142 /nfs/dbraw/zinc/00/61/42/460006142.db2.gz WVHRLOZVBNCACI-UHFFFAOYSA-N 0 0 346.333 3.043 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1 ZINC000618438967 460010061 /nfs/dbraw/zinc/01/00/61/460010061.db2.gz RKNAGTYCHPLAEP-UHFFFAOYSA-N 0 0 329.316 3.212 10 5 EGBERN CO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000597630100 460012844 /nfs/dbraw/zinc/01/28/44/460012844.db2.gz CDPHXONJQAZECF-LBPRGKRZSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2COc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000589005105 460017349 /nfs/dbraw/zinc/01/73/49/460017349.db2.gz RKMWIVPKENIXBX-AWEZNQCLSA-N 0 0 345.330 3.168 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1CCc2ccccc2N1 ZINC000593916224 460017387 /nfs/dbraw/zinc/01/73/87/460017387.db2.gz NPWHAWURKCEFGO-OAHLLOKOSA-N 0 0 339.395 3.450 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccc(CO)cc1 ZINC000618469616 460019667 /nfs/dbraw/zinc/01/96/67/460019667.db2.gz GGBORBUCEICPKX-UHFFFAOYSA-N 0 0 348.786 3.021 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)c3cccc(OC)c3)no2)n1 ZINC000589112735 460032940 /nfs/dbraw/zinc/03/29/40/460032940.db2.gz XSCUZCOPFKGQKJ-SNVBAGLBSA-N 0 0 343.343 3.022 10 5 EGBERN CO[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000597722850 460038606 /nfs/dbraw/zinc/03/86/06/460038606.db2.gz GVEFMRNQWLVRIX-RDJZCZTQSA-N 0 0 332.400 3.116 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000597725201 460039983 /nfs/dbraw/zinc/03/99/83/460039983.db2.gz SWIZOSADUWRURZ-ZMSDIMECSA-N 0 0 332.400 3.116 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728006 460041259 /nfs/dbraw/zinc/04/12/59/460041259.db2.gz QWQGJDLSYIUEDR-QGZVFWFLSA-N 0 0 338.363 3.011 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597729169 460041922 /nfs/dbraw/zinc/04/19/22/460041922.db2.gz COOUDSJULWDMNJ-OAHLLOKOSA-N 0 0 328.372 3.419 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000609981565 460044440 /nfs/dbraw/zinc/04/44/40/460044440.db2.gz MUKUUFZWZVGMAZ-GFCCVEGCSA-N 0 0 342.351 3.165 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598809174 460044988 /nfs/dbraw/zinc/04/49/88/460044988.db2.gz HFQHECBRQGBSAP-DFBGVHRSSA-N 0 0 326.356 3.155 10 5 EGBERN CC(C)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(F)(F)F ZINC000597757506 460049438 /nfs/dbraw/zinc/04/94/38/460049438.db2.gz JNJCDTOZJCWDRU-UHFFFAOYSA-N 0 0 342.277 3.056 10 5 EGBERN CC(C)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000597757675 460049554 /nfs/dbraw/zinc/04/95/54/460049554.db2.gz MABQAGAZKBUOKN-UHFFFAOYSA-N 0 0 332.278 3.015 10 5 EGBERN CC(C)[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051269 460056762 /nfs/dbraw/zinc/05/67/62/460056762.db2.gz FCOKDSYZHJYKCC-GHMZBOCLSA-N 0 0 328.796 3.424 10 5 EGBERN C[C@H]1CCC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000589219463 460058777 /nfs/dbraw/zinc/05/87/77/460058777.db2.gz LBPDDBMBLVPKSN-SWLSCSKDSA-N 0 0 329.404 3.405 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)OC)oc1C ZINC000598844710 460064243 /nfs/dbraw/zinc/06/42/43/460064243.db2.gz PVCFJHIWCGETKD-UHFFFAOYSA-N 0 0 332.312 3.098 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610182444 460076588 /nfs/dbraw/zinc/07/65/88/460076588.db2.gz VLGBXCHVDURNSX-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594057362 460079096 /nfs/dbraw/zinc/07/90/96/460079096.db2.gz ZBIWOUPRJKHZFJ-CVEARBPZSA-N 0 0 333.388 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594058582 460079971 /nfs/dbraw/zinc/07/99/71/460079971.db2.gz KACMGDIRNORYLH-HOTGVXAUSA-N 0 0 333.388 3.372 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598881423 460081648 /nfs/dbraw/zinc/08/16/48/460081648.db2.gz RFAQCNWRVJUIAD-WBVHZDCISA-N 0 0 332.400 3.469 10 5 EGBERN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCCO[C@H]21 ZINC000610205538 460081896 /nfs/dbraw/zinc/08/18/96/460081896.db2.gz JEUHQRCGRGPYGG-IUIKQTSFSA-N 0 0 343.383 3.010 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1ccccn1 ZINC000597865354 460085325 /nfs/dbraw/zinc/08/53/25/460085325.db2.gz RWRQNTACDUQRQJ-QWHCGFSZSA-N 0 0 345.424 3.390 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C(F)F)C1CCCCC1 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CC[C@@H](COCC1CC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597921329 460112094 /nfs/dbraw/zinc/11/20/94/460112094.db2.gz XQBMCXIZENHLCM-YPMHNXCESA-N 0 0 338.379 3.159 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597923763 460113742 /nfs/dbraw/zinc/11/37/42/460113742.db2.gz PHTDFAJYONIBGD-CQSZACIVSA-N 0 0 334.416 3.194 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000599020301 460128324 /nfs/dbraw/zinc/12/83/24/460128324.db2.gz NAMZCMKXZMHFIL-UHFFFAOYSA-N 0 0 326.400 3.208 10 5 EGBERN O=[N+]([O-])c1c(Nc2cnn(C[C@H]3CCCO3)c2)ccc2cnccc21 ZINC000599026737 460132101 /nfs/dbraw/zinc/13/21/01/460132101.db2.gz YPIRQLWKPSDTTD-CQSZACIVSA-N 0 0 339.355 3.262 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2CCN(CC(F)(F)F)C2)ccc2cnccc21 ZINC000599034981 460135677 /nfs/dbraw/zinc/13/56/77/460135677.db2.gz JTHPZUAQPRJGEW-NSHDSACASA-N 0 0 340.305 3.192 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594201854 460148214 /nfs/dbraw/zinc/14/82/14/460148214.db2.gz BZXNEJNNDCIAFA-GFCCVEGCSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1noc(C(F)F)c1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000610431419 460149700 /nfs/dbraw/zinc/14/97/00/460149700.db2.gz MJFUWLJZFIMVNH-ZETCQYMHSA-N 0 0 337.282 3.420 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594205381 460151122 /nfs/dbraw/zinc/15/11/22/460151122.db2.gz BKHOMXLQFQYLIM-IXDOHACOSA-N 0 0 344.411 3.306 10 5 EGBERN CCn1nnc(C)c1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599089003 460158374 /nfs/dbraw/zinc/15/83/74/460158374.db2.gz KWEMDICLRQPKKN-UHFFFAOYSA-N 0 0 343.309 3.454 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)c1 ZINC000599103491 460162055 /nfs/dbraw/zinc/16/20/55/460162055.db2.gz WNXYZUHFWPYPFE-LLVKDONJSA-N 0 0 329.385 3.001 10 5 EGBERN NC(=O)c1cc(NCC2CCc3ccccc3CC2)ccc1[N+](=O)[O-] ZINC000599118316 460165971 /nfs/dbraw/zinc/16/59/71/460165971.db2.gz UNJFMOZELVBDMJ-UHFFFAOYSA-N 0 0 339.395 3.301 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599118008 460165996 /nfs/dbraw/zinc/16/59/96/460165996.db2.gz FXNYZFHVOCTKOI-UHFFFAOYSA-N 0 0 329.356 3.097 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599119378 460166345 /nfs/dbraw/zinc/16/63/45/460166345.db2.gz QMGZSGHGHZQODO-VNQPRFMTSA-N 0 0 331.416 3.215 10 5 EGBERN Cc1cn2c(n1)C[C@H](c1nc(-c3ccc(C)c([N+](=O)[O-])c3)no1)CC2 ZINC000599123911 460167873 /nfs/dbraw/zinc/16/78/73/460167873.db2.gz PZNHZPIVNZCYGF-CYBMUJFWSA-N 0 0 339.355 3.188 10 5 EGBERN CCCc1cncc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000599134894 460170248 /nfs/dbraw/zinc/17/02/48/460170248.db2.gz CJLPTBVIVHYYIT-UHFFFAOYSA-N 0 0 336.369 3.138 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CC(F)F)ccc2cnccc21 ZINC000599134634 460170377 /nfs/dbraw/zinc/17/03/77/460170377.db2.gz ZOOSKVHUMXKCMC-LBPRGKRZSA-N 0 0 336.342 3.284 10 5 EGBERN CC1(C)CC(=O)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599137968 460171273 /nfs/dbraw/zinc/17/12/73/460171273.db2.gz WDVSKWSFVRJBDU-UHFFFAOYSA-N 0 0 331.294 3.204 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000598102258 460174808 /nfs/dbraw/zinc/17/48/08/460174808.db2.gz YRKTWFSPXOGEOO-BLLLJJGKSA-N 0 0 340.379 3.452 10 5 EGBERN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccncc1 ZINC000610526319 460175408 /nfs/dbraw/zinc/17/54/08/460175408.db2.gz KCASYRZDWYSUBO-LLVKDONJSA-N 0 0 325.324 3.270 10 5 EGBERN Nc1ccc(N2CCc3c(cccc3C(F)(F)F)C2)nc1[N+](=O)[O-] ZINC000599157766 460181501 /nfs/dbraw/zinc/18/15/01/460181501.db2.gz FRLSASOBMIZGHB-UHFFFAOYSA-N 0 0 338.289 3.154 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594284450 460181641 /nfs/dbraw/zinc/18/16/41/460181641.db2.gz YJZADPYJZRTVLM-OAHLLOKOSA-N 0 0 347.415 3.228 10 5 EGBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599166929 460184129 /nfs/dbraw/zinc/18/41/29/460184129.db2.gz WJNAWQRPLHDKHW-MFKMUULPSA-N 0 0 342.779 3.018 10 5 EGBERN CC(C)(CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169523 460185406 /nfs/dbraw/zinc/18/54/06/460185406.db2.gz FDZBQNPQLPOTOS-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CC(Cc2ccccc2Br)C1 ZINC000599184454 460192842 /nfs/dbraw/zinc/19/28/42/460192842.db2.gz LBPZVNHCGOUCBI-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN COc1cc(N2CC[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1F ZINC000599192374 460194819 /nfs/dbraw/zinc/19/48/19/460194819.db2.gz QGJNYFJYDOXQLI-LBPRGKRZSA-N 0 0 332.331 3.442 10 5 EGBERN COc1cccc(-c2nc(-c3coc(C4CC4)n3)no2)c1[N+](=O)[O-] ZINC000599195958 460196591 /nfs/dbraw/zinc/19/65/91/460196591.db2.gz MFRCLHSINBTSAG-UHFFFAOYSA-N 0 0 328.284 3.186 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598199797 460202605 /nfs/dbraw/zinc/20/26/05/460202605.db2.gz HYOWIMMKFPYXAH-RZDIXWSQSA-N 0 0 340.379 3.254 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000598204754 460203650 /nfs/dbraw/zinc/20/36/50/460203650.db2.gz PDMKOECBIUQYNN-HOTGVXAUSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598207402 460204647 /nfs/dbraw/zinc/20/46/47/460204647.db2.gz ISWGGNMLKXXZJC-YOEHRIQHSA-N 0 0 344.342 3.036 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594395029 460204718 /nfs/dbraw/zinc/20/47/18/460204718.db2.gz FFTCLRBTUFQZDN-IAGOWNOFSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)O1 ZINC000598210361 460205338 /nfs/dbraw/zinc/20/53/38/460205338.db2.gz BDZSAQLFQZVMAW-ZWNOBZJWSA-N 0 0 334.397 3.497 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598209892 460205384 /nfs/dbraw/zinc/20/53/84/460205384.db2.gz VPLOMNRXEBXUJB-GMXVVIOVSA-N 0 0 341.367 3.015 10 5 EGBERN C[C@@]1(CCNC(=O)CSc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000598216278 460207117 /nfs/dbraw/zinc/20/71/17/460207117.db2.gz OZGYBMNOPGMLLT-CYBMUJFWSA-N 0 0 330.356 3.239 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000598216442 460207135 /nfs/dbraw/zinc/20/71/35/460207135.db2.gz ZWEUDDOYJQQZGJ-CMPLNLGQSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000610661216 460207251 /nfs/dbraw/zinc/20/72/51/460207251.db2.gz IFLQUKNSBGHSHO-AWEZNQCLSA-N 0 0 343.387 3.277 10 5 EGBERN C[C@@]1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1(F)F ZINC000598217897 460208164 /nfs/dbraw/zinc/20/81/64/460208164.db2.gz YGZYXMFXLOZENM-INIZCTEOSA-N 0 0 347.321 3.432 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](CCF)C1 ZINC000598222846 460210848 /nfs/dbraw/zinc/21/08/48/460210848.db2.gz CVBKXHIZVPKQID-GFCCVEGCSA-N 0 0 333.363 3.217 10 5 EGBERN CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCCO1 ZINC000594411443 460210942 /nfs/dbraw/zinc/21/09/42/460210942.db2.gz RKVVYLZQPDJRTN-IUODEOHRSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594417523 460212215 /nfs/dbraw/zinc/21/22/15/460212215.db2.gz KNOGBRRYBBYKBH-GFCCVEGCSA-N 0 0 343.383 3.298 10 5 EGBERN C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(=O)[O-] ZINC000576822951 460220848 /nfs/dbraw/zinc/22/08/48/460220848.db2.gz KOPBSJIZGRLZOO-BLLLJJGKSA-N 0 0 344.367 3.397 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000610721696 460225904 /nfs/dbraw/zinc/22/59/04/460225904.db2.gz QPGUHSJUQNZCFU-INIZCTEOSA-N 0 0 349.431 3.332 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC(CC(F)(F)F)C1 ZINC000610745636 460230086 /nfs/dbraw/zinc/23/00/86/460230086.db2.gz XGKXYOCHJZQYLA-UHFFFAOYSA-N 0 0 343.305 3.194 10 5 EGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000610928930 460262462 /nfs/dbraw/zinc/26/24/62/460262462.db2.gz YUJZDUQHNHDMHT-ZETCQYMHSA-N 0 0 333.735 3.398 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599501681 460263232 /nfs/dbraw/zinc/26/32/32/460263232.db2.gz UHHLRWNNEMVJMU-GFCCVEGCSA-N 0 0 346.362 3.324 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599709201 460317913 /nfs/dbraw/zinc/31/79/13/460317913.db2.gz LVPGCLLHHIEIBJ-UHFFFAOYSA-N 0 0 344.346 3.150 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599781037 460332480 /nfs/dbraw/zinc/33/24/80/460332480.db2.gz UQLFWJLCFBYVBU-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN CO[C@H]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832493 460343667 /nfs/dbraw/zinc/34/36/67/460343667.db2.gz DJSUTUXVPVFGSH-ZBEGNZNMSA-N 0 0 344.371 3.080 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599832902 460343766 /nfs/dbraw/zinc/34/37/66/460343766.db2.gz MRTGGGQZHRQTPP-NSHDSACASA-N 0 0 344.371 3.222 10 5 EGBERN COC1(C)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599832850 460344011 /nfs/dbraw/zinc/34/40/11/460344011.db2.gz LKJUBLIFEJOXAQ-UHFFFAOYSA-N 0 0 344.371 3.176 10 5 EGBERN CO[C@@](C)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599836193 460345423 /nfs/dbraw/zinc/34/54/23/460345423.db2.gz POPYWJVBXBLYIB-KRWDZBQOSA-N 0 0 344.371 3.080 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835372 460345439 /nfs/dbraw/zinc/34/54/39/460345439.db2.gz VAGMWNDKPRGBHD-XHDPSFHLSA-N 0 0 346.387 3.062 10 5 EGBERN CC[C@@H](C)C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835659 460345532 /nfs/dbraw/zinc/34/55/32/460345532.db2.gz YEHSBLQZVUNZRU-VXGBXAGGSA-N 0 0 346.387 3.062 10 5 EGBERN CC(C)(O)C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839846 460346171 /nfs/dbraw/zinc/34/61/71/460346171.db2.gz QBHQLGHPHJUMFQ-UHFFFAOYSA-N 0 0 346.387 3.062 10 5 EGBERN COC1([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599838606 460346196 /nfs/dbraw/zinc/34/61/96/460346196.db2.gz LFJNAAXGLCWGPR-NSHDSACASA-N 0 0 344.371 3.222 10 5 EGBERN CCOC(=O)Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1OC ZINC000619526277 460374879 /nfs/dbraw/zinc/37/48/79/460374879.db2.gz XHPIPUZQUCTPSD-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN CCc1noc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000619526297 460375015 /nfs/dbraw/zinc/37/50/15/460375015.db2.gz YAKMGERJYSBXFX-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000611505573 460380229 /nfs/dbraw/zinc/38/02/29/460380229.db2.gz DAVWAMAFIRJPJU-MJVIPROJSA-N 0 0 326.393 3.282 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611573444 460404782 /nfs/dbraw/zinc/40/47/82/460404782.db2.gz MIGHAPJCYQDWSJ-GFCCVEGCSA-N 0 0 328.315 3.001 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611573495 460405056 /nfs/dbraw/zinc/40/50/56/460405056.db2.gz PMJNNJVYTAVDKE-NSHDSACASA-N 0 0 334.706 3.092 10 5 EGBERN CN(CCCO)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000619680612 460410951 /nfs/dbraw/zinc/41/09/51/460410951.db2.gz LJKDNMSQWMFYIS-UHFFFAOYSA-N 0 0 338.429 3.084 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616264 460415128 /nfs/dbraw/zinc/41/51/28/460415128.db2.gz DKTDGFRFILMUBC-CQSZACIVSA-N 0 0 329.404 3.207 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000611617479 460415279 /nfs/dbraw/zinc/41/52/79/460415279.db2.gz ZKARTDVMTJZTGA-SWLSCSKDSA-N 0 0 349.337 3.197 10 5 EGBERN COc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1O ZINC000604388533 460417402 /nfs/dbraw/zinc/41/74/02/460417402.db2.gz KZRSSBRXFVKYAZ-UHFFFAOYSA-N 0 0 344.367 3.360 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000600168129 460418082 /nfs/dbraw/zinc/41/80/82/460418082.db2.gz INISZYGPPARJDS-QLFBSQMISA-N 0 0 332.400 3.225 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(C3CCOCC3)C2)cc1OC(F)F ZINC000619699369 460418417 /nfs/dbraw/zinc/41/84/17/460418417.db2.gz LRJQUPGHECWTOH-UHFFFAOYSA-N 0 0 328.315 3.059 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619729993 460424059 /nfs/dbraw/zinc/42/40/59/460424059.db2.gz DXJDHSFBTNECOQ-UHFFFAOYSA-N 0 0 332.400 3.217 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N(C[C@H]3CCCO3)C3CCCC3)c2c1 ZINC000611704936 460433872 /nfs/dbraw/zinc/43/38/72/460433872.db2.gz DRUMEFKIGLMJRK-OAHLLOKOSA-N 0 0 342.399 3.466 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000619760988 460434591 /nfs/dbraw/zinc/43/45/91/460434591.db2.gz DMYQVOOIRQMPDU-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000600207729 460440656 /nfs/dbraw/zinc/44/06/56/460440656.db2.gz NYOPCWOKJDIJNN-IACUBPJLSA-N 0 0 334.784 3.378 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000600212102 460443951 /nfs/dbraw/zinc/44/39/51/460443951.db2.gz VTUALGZZYDXDFP-NSHDSACASA-N 0 0 332.381 3.007 10 5 EGBERN CC(=O)C(C)(C)CCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000616017489 460451865 /nfs/dbraw/zinc/45/18/65/460451865.db2.gz VKGUZQLMBSNEAU-UHFFFAOYSA-N 0 0 331.372 3.425 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1[N+](=O)[O-] ZINC000600300463 460466864 /nfs/dbraw/zinc/46/68/64/460466864.db2.gz DHMSUFCVNCSRBQ-CQSZACIVSA-N 0 0 343.387 3.108 10 5 EGBERN CC(C)(C(=O)N1CCC(=O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600305556 460468995 /nfs/dbraw/zinc/46/89/95/460468995.db2.gz RZUUUJLCARSSGI-UHFFFAOYSA-N 0 0 332.400 3.090 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000600368338 460485734 /nfs/dbraw/zinc/48/57/34/460485734.db2.gz WBNWVRIPTMDSKL-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN Cc1cc(Cl)ccc1C1=CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000600424607 460493428 /nfs/dbraw/zinc/49/34/28/460493428.db2.gz OYPOSCDCBOSPID-UHFFFAOYSA-N 0 0 346.774 3.209 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)n1 ZINC000600474655 460500276 /nfs/dbraw/zinc/50/02/76/460500276.db2.gz OKVRCMXCZFPOCS-OAHLLOKOSA-N 0 0 330.388 3.247 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOC2CCOCC2)c(C(F)(F)F)c1 ZINC000600521144 460511456 /nfs/dbraw/zinc/51/14/56/460511456.db2.gz NJBBGVBXHBVLPX-UHFFFAOYSA-N 0 0 335.278 3.188 10 5 EGBERN Cc1cc(=O)n(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000600528194 460512847 /nfs/dbraw/zinc/51/28/47/460512847.db2.gz GSUJNYNFZJHFEY-GHMZBOCLSA-N 0 0 346.305 3.003 10 5 EGBERN Cc1c(Br)c(=O)n(CC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600534712 460514417 /nfs/dbraw/zinc/51/44/17/460514417.db2.gz OMZYTRXIFVZNSR-UHFFFAOYSA-N 0 0 329.194 3.264 10 5 EGBERN CC(C)(C)c1cc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)no1 ZINC000600546073 460518006 /nfs/dbraw/zinc/51/80/06/460518006.db2.gz UVLDCJWTBIWSTE-UHFFFAOYSA-N 0 0 345.334 3.326 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCCCNc3ccccc3F)c2c1 ZINC000612112080 460544199 /nfs/dbraw/zinc/54/41/99/460544199.db2.gz QPUFYTNYUYEAGB-UHFFFAOYSA-N 0 0 341.346 3.013 10 5 EGBERN Cc1nc(C(C)C)oc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601166386 460738614 /nfs/dbraw/zinc/73/86/14/460738614.db2.gz JZCGEHOTYNHTNM-UHFFFAOYSA-N 0 0 347.297 3.379 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)nc2c1 ZINC000601190011 460745365 /nfs/dbraw/zinc/74/53/65/460745365.db2.gz ZCABMTMAFCFSSD-IAOVAPTHSA-N 0 0 344.415 3.381 10 5 EGBERN CC(C)(C)OC(=O)COCCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000601220646 460755483 /nfs/dbraw/zinc/75/54/83/460755483.db2.gz ANSGTODVMFDLMR-UHFFFAOYSA-N 0 0 346.330 3.303 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000601232304 460758303 /nfs/dbraw/zinc/75/83/03/460758303.db2.gz PFCRTANKDKEHMT-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN Cc1cc(N2CCc3nnn(C4CC(C)C4)c3C2)ccc1[N+](=O)[O-] ZINC000601233083 460759719 /nfs/dbraw/zinc/75/97/19/460759719.db2.gz XSMIMOKACLBFGT-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(Cc4ccccn4)no3)CCC2)cc1 ZINC000601353531 460792374 /nfs/dbraw/zinc/79/23/74/460792374.db2.gz PIEJLBKZPKGUBI-UHFFFAOYSA-N 0 0 336.351 3.434 10 5 EGBERN C[C@H]1C[C@@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601431930 460809189 /nfs/dbraw/zinc/80/91/89/460809189.db2.gz TXBHPQAZKXVKMF-GJZGRUSLSA-N 0 0 346.427 3.338 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H]2CCCO2)no1 ZINC000613169633 460850046 /nfs/dbraw/zinc/85/00/46/460850046.db2.gz GYGSYMGLRRFYCJ-HIFRSBDPSA-N 0 0 331.372 3.436 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@H]2CCCO2)no1 ZINC000613169632 460850311 /nfs/dbraw/zinc/85/03/11/460850311.db2.gz GYGSYMGLRRFYCJ-DZGCQCFKSA-N 0 0 331.372 3.436 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601653139 460856852 /nfs/dbraw/zinc/85/68/52/460856852.db2.gz CRXPHTDRBIPMJV-HNNXBMFYSA-N 0 0 340.383 3.051 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000601655082 460857906 /nfs/dbraw/zinc/85/79/06/460857906.db2.gz FKRPEFQAYNQTHG-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601659706 460859874 /nfs/dbraw/zinc/85/98/74/460859874.db2.gz RTABMXJBEOLISG-IJLUTSLNSA-N 0 0 331.294 3.296 10 5 EGBERN C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)O1 ZINC000601668665 460864463 /nfs/dbraw/zinc/86/44/63/460864463.db2.gz CWYOPFUKHXZLRB-KGLIPLIRSA-N 0 0 332.400 3.042 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(COC)(C2CC2)C1 ZINC000601768571 460892993 /nfs/dbraw/zinc/89/29/93/460892993.db2.gz QCPGZSKBPYXIRD-HNNXBMFYSA-N 0 0 346.427 3.049 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@](C)(Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000601836544 460918478 /nfs/dbraw/zinc/91/84/78/460918478.db2.gz OALLJUKMEFOFEI-GOSISDBHSA-N 0 0 344.415 3.024 10 5 EGBERN COc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1NC(C)=O ZINC000253425065 524098912 /nfs/dbraw/zinc/09/89/12/524098912.db2.gz AOMXMXLHGZNSHX-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN CC1(C)C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])c2ccccc2O1 ZINC000183611065 527737629 /nfs/dbraw/zinc/73/76/29/527737629.db2.gz WTHCGPJSYVSRBN-ZDUSSCGKSA-N 0 0 342.355 3.414 10 5 EGBERN CC(C)c1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000190147716 528074488 /nfs/dbraw/zinc/07/44/88/528074488.db2.gz SYTGKGBKBMWFOA-UHFFFAOYSA-N 0 0 346.358 3.280 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175048686 535711368 /nfs/dbraw/zinc/71/13/68/535711368.db2.gz AXVWTUYFONEZHE-SMDDNHRTSA-N 0 0 339.417 3.399 10 5 EGBERN CNc1c(C(=O)Nc2nc3cc(C)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000344480708 536419243 /nfs/dbraw/zinc/41/92/43/536419243.db2.gz GMAXOGNJXSNZJR-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338031130 536666526 /nfs/dbraw/zinc/66/65/26/536666526.db2.gz MWYHHBVHRBJWKQ-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN COc1cc(CSCc2ncnn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000337899461 536817860 /nfs/dbraw/zinc/81/78/60/536817860.db2.gz OLXYTGOOJOIXGP-UHFFFAOYSA-N 0 0 336.417 3.383 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191824677 547189603 /nfs/dbraw/zinc/18/96/03/547189603.db2.gz FKGKEFGWUZTOJO-UHFFFAOYSA-N 0 0 345.742 3.333 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1ccc(Br)s1 ZINC000218040152 547240718 /nfs/dbraw/zinc/24/07/18/547240718.db2.gz KJIPGMQSLOXVTM-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000351682796 547677941 /nfs/dbraw/zinc/67/79/41/547677941.db2.gz KYKPLZCILDAPTG-SSDMNJCBSA-N 0 0 340.383 3.089 10 5 EGBERN CC(C)(C)SCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000726192697 574544753 /nfs/dbraw/zinc/54/47/53/574544753.db2.gz FDOPPVCUEQXRIU-UHFFFAOYSA-N 0 0 334.401 3.455 10 5 EGBERN CC(C)Oc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC000726631925 574564216 /nfs/dbraw/zinc/56/42/16/574564216.db2.gz JHOXPAPFVCXUAD-UHFFFAOYSA-N 0 0 330.340 3.321 10 5 EGBERN CC[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000728345035 574741530 /nfs/dbraw/zinc/74/15/30/574741530.db2.gz WUGKDYRTEQUAKT-CQSZACIVSA-N 0 0 346.339 3.119 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000729890542 574894260 /nfs/dbraw/zinc/89/42/60/574894260.db2.gz YONQNDAOOXKVRQ-UHFFFAOYSA-N 0 0 348.746 3.091 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731459634 575074407 /nfs/dbraw/zinc/07/44/07/575074407.db2.gz IAJLEFRTMDLBTN-VIFPVBQESA-N 0 0 345.286 3.234 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)/C=C\C1CCOCC1 ZINC000732708359 575283649 /nfs/dbraw/zinc/28/36/49/575283649.db2.gz AGJCOSVSFBGZII-UTCJRWHESA-N 0 0 335.356 3.020 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000733189669 575318796 /nfs/dbraw/zinc/31/87/96/575318796.db2.gz UGKZOTAOWBWZMU-LBPRGKRZSA-N 0 0 336.392 3.191 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000734781257 575551515 /nfs/dbraw/zinc/55/15/15/575551515.db2.gz VUONQOKEJNYRMK-NSHDSACASA-N 0 0 337.763 3.366 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccc2C(F)(F)F)cn1 ZINC000735487218 575668651 /nfs/dbraw/zinc/66/86/51/575668651.db2.gz SNHZJCZNXOVNDL-LBPRGKRZSA-N 0 0 327.262 3.154 10 5 EGBERN CN(Cc1ccn(-c2ccccc2)n1)c1ncc([N+](=O)[O-])cc1Cl ZINC000736287135 575927945 /nfs/dbraw/zinc/92/79/45/575927945.db2.gz URRDHZLFNZFEIN-UHFFFAOYSA-N 0 0 343.774 3.465 10 5 EGBERN COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000744314341 576825171 /nfs/dbraw/zinc/82/51/71/576825171.db2.gz CQSYQFLQMWBVGG-UHFFFAOYSA-N 0 0 330.340 3.019 10 5 EGBERN COc1ccc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC000744315511 576825206 /nfs/dbraw/zinc/82/52/06/576825206.db2.gz BOOFOKMHAVNTML-NSHDSACASA-N 0 0 348.380 3.222 10 5 EGBERN COc1cccc([C@H](C)OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000744330050 576825636 /nfs/dbraw/zinc/82/56/36/576825636.db2.gz OUVJBVQTKSQDDG-NSHDSACASA-N 0 0 349.314 3.426 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1c[nH]c2ccccc21 ZINC000745331293 576845956 /nfs/dbraw/zinc/84/59/56/576845956.db2.gz QVYREDAQPDVQEA-UHFFFAOYSA-N 0 0 338.319 3.045 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000695160366 1298157158 /nfs/dbraw/zinc/15/71/58/1298157158.db2.gz MVSAHTUGFNCXMO-MRVPVSSYSA-N 0 0 344.209 3.307 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2c(F)cccc2Cl)c1 ZINC000123983039 1293462642 /nfs/dbraw/zinc/46/26/42/1293462642.db2.gz LGCCLRQOCSFDOV-UHFFFAOYSA-N 0 0 345.735 3.296 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000171312920 1294402425 /nfs/dbraw/zinc/40/24/25/1294402425.db2.gz FMGWQVRLHSQVLA-HNNXBMFYSA-N 0 0 334.759 3.366 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175591080 1294564497 /nfs/dbraw/zinc/56/44/97/1294564497.db2.gz VXDUNRPHTABNIB-KRWDZBQOSA-N 0 0 349.387 3.180 10 5 EGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000179290168 1294783289 /nfs/dbraw/zinc/78/32/89/1294783289.db2.gz BCSXWCPSQAMWHT-AWEZNQCLSA-N 0 0 334.759 3.366 10 5 EGBERN Cc1cccc(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000870820526 1296101375 /nfs/dbraw/zinc/10/13/75/1296101375.db2.gz GLZGTEURKJJZHM-MGCOHNPYSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](F)CC1CCCCC1 ZINC000870828759 1296106456 /nfs/dbraw/zinc/10/64/56/1296106456.db2.gz VAVVGPMDVMZQLJ-ZALBZXLWSA-N 0 0 339.367 3.347 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1sccc1Cl ZINC000870828030 1296106540 /nfs/dbraw/zinc/10/65/40/1296106540.db2.gz JQDPCVNOXWHXPC-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN Cc1cccc([C@@H]2C[C@H]2C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870830901 1296108088 /nfs/dbraw/zinc/10/80/88/1296108088.db2.gz MCZVUDWXUSQQGU-MHVXSEJMSA-N 0 0 341.367 3.150 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCCS1 ZINC000871025965 1296182241 /nfs/dbraw/zinc/18/22/41/1296182241.db2.gz FGXHFFJYIZFKLG-OAHLLOKOSA-N 0 0 337.445 3.189 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@@H]2CCCS2)c1F ZINC000871038256 1296190766 /nfs/dbraw/zinc/19/07/66/1296190766.db2.gz OWNRJKSBTNPNRR-VIFPVBQESA-N 0 0 330.356 3.197 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000871200088 1296269917 /nfs/dbraw/zinc/26/99/17/1296269917.db2.gz MUAAURYNWXJLPD-AGGNRZCOSA-N 0 0 344.411 3.150 10 5 EGBERN CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(OC)c1OC ZINC000871279028 1296313867 /nfs/dbraw/zinc/31/38/67/1296313867.db2.gz UPNDXVURHDKGMP-ZDUSSCGKSA-N 0 0 338.404 3.107 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000871332144 1296355983 /nfs/dbraw/zinc/35/59/83/1296355983.db2.gz XJCVQPGDFIRJJQ-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN CO[C@H]1C[C@@H](COc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC000871669355 1296473368 /nfs/dbraw/zinc/47/33/68/1296473368.db2.gz LXNYOYHOGHBMRO-OCAPTIKFSA-N 0 0 334.141 3.300 10 5 EGBERN COCC(C)(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871743986 1296512676 /nfs/dbraw/zinc/51/26/76/1296512676.db2.gz NUZSJQBCRLKTCR-UHFFFAOYSA-N 0 0 329.784 3.432 10 5 EGBERN COCc1nc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872072460 1296718219 /nfs/dbraw/zinc/71/82/19/1296718219.db2.gz GNDNNMXZVJJMTP-VIFPVBQESA-N 0 0 325.365 3.188 10 5 EGBERN C[C@H](NCc1cnc(C(F)(F)F)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085260 1296725143 /nfs/dbraw/zinc/72/51/43/1296725143.db2.gz OEEHVVVGJOSJTH-QMMMGPOBSA-N 0 0 344.268 3.394 10 5 EGBERN C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087509 1296727107 /nfs/dbraw/zinc/72/71/07/1296727107.db2.gz IZRFSSOUAGFFFM-CABZTGNLSA-N 0 0 346.284 3.385 10 5 EGBERN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872091692 1296730048 /nfs/dbraw/zinc/73/00/48/1296730048.db2.gz ZIRJZIBRPDRCOI-APPDUMDISA-N 0 0 343.358 3.098 10 5 EGBERN C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872110595 1296735910 /nfs/dbraw/zinc/73/59/10/1296735910.db2.gz ZXYUFRMOCYWEBK-SECBINFHSA-N 0 0 346.284 3.300 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000873446423 1297513785 /nfs/dbraw/zinc/51/37/85/1297513785.db2.gz SIPODWYJTADRNK-ZLIFDBKOSA-N 0 0 335.356 3.132 10 5 EGBERN CC(C)(C)[C@@H]1C[C@H](OC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000873575669 1297600687 /nfs/dbraw/zinc/60/06/87/1297600687.db2.gz SLPIOVOXJRTUAM-CABCVRRESA-N 0 0 337.372 3.111 10 5 EGBERN COc1c(C(=O)O[C@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873577456 1297602370 /nfs/dbraw/zinc/60/23/70/1297602370.db2.gz YPSTYPYCRFVAQL-FZMZJTMJSA-N 0 0 337.372 3.354 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000873579986 1297604497 /nfs/dbraw/zinc/60/44/97/1297604497.db2.gz DKCSGCRECXVIND-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])O[C@H]1CCOC2(CCCC2)C1 ZINC000873581274 1297606278 /nfs/dbraw/zinc/60/62/78/1297606278.db2.gz QNYYXQRKUQVHCB-AWEZNQCLSA-N 0 0 348.399 3.432 10 5 EGBERN CC[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCO1 ZINC000585130440 1298035954 /nfs/dbraw/zinc/03/59/54/1298035954.db2.gz PZGRKTIATCGKPE-OCCSQVGLSA-N 0 0 344.371 3.129 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000875054566 1298215696 /nfs/dbraw/zinc/21/56/96/1298215696.db2.gz WHYVKPPEFLYNDV-GJZGRUSLSA-N 0 0 340.763 3.120 10 5 EGBERN COC[C@H](COc1ccc(Br)nc1[N+](=O)[O-])C(C)C ZINC000877891882 1299621398 /nfs/dbraw/zinc/62/13/98/1299621398.db2.gz ZBHAAUQODXEVOU-SECBINFHSA-N 0 0 333.182 3.050 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2(C)C)cc1 ZINC000881659956 1301672499 /nfs/dbraw/zinc/67/24/99/1301672499.db2.gz HXZFMHNYPIUQQG-CYBMUJFWSA-N 0 0 328.372 3.035 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000882172979 1301859504 /nfs/dbraw/zinc/85/95/04/1301859504.db2.gz VXXPILFFQHINQA-HNNXBMFYSA-N 0 0 325.368 3.261 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)O1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000882551847 1302017233 /nfs/dbraw/zinc/01/72/33/1302017233.db2.gz ARNSBXUEDWXNPU-INIZCTEOSA-N 0 0 344.411 3.234 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000886002537 1303314702 /nfs/dbraw/zinc/31/47/02/1303314702.db2.gz DTFZZLOSKKZHIZ-OTYXRUKQSA-N 0 0 339.189 3.277 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000888017214 1304015458 /nfs/dbraw/zinc/01/54/58/1304015458.db2.gz JITFPRJYCSVVIY-CUZBXDDWSA-N 0 0 328.290 3.409 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000888723124 1304251846 /nfs/dbraw/zinc/25/18/46/1304251846.db2.gz ARPSCROUMLLSHD-DNJRESQDSA-N 0 0 330.384 3.072 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888822351 1304290172 /nfs/dbraw/zinc/29/01/72/1304290172.db2.gz UDUGJLDCOVNHSG-LIRRHRJNSA-N 0 0 337.379 3.450 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000890764879 1304874862 /nfs/dbraw/zinc/87/48/62/1304874862.db2.gz GFENEFCQSBDDPD-BXUZGUMPSA-N 0 0 344.346 3.004 10 5 EGBERN Cn1c(Cl)ncc1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000893126740 1305722902 /nfs/dbraw/zinc/72/29/02/1305722902.db2.gz HBKDEFFFNDQDNR-UHFFFAOYSA-N 0 0 337.763 3.003 10 5 EGBERN CC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCCOC1 ZINC000893852334 1306097390 /nfs/dbraw/zinc/09/73/90/1306097390.db2.gz UPUXKGIBAQKVIP-YOEHRIQHSA-N 0 0 346.427 3.338 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893852973 1306098482 /nfs/dbraw/zinc/09/84/82/1306098482.db2.gz IOENJDJAKDXSLY-BXUZGUMPSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000893860812 1306101890 /nfs/dbraw/zinc/10/18/90/1306101890.db2.gz CBMZECCBHYJFEJ-WFASDCNBSA-N 0 0 340.807 3.112 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894334176 1306347272 /nfs/dbraw/zinc/34/72/72/1306347272.db2.gz YNPOCLGVDWDAKR-BETUJISGSA-N 0 0 328.393 3.183 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894402233 1308856603 /nfs/dbraw/zinc/85/66/03/1308856603.db2.gz HEUIJKZWDDKTKU-LLVKDONJSA-N 0 0 338.791 3.246 10 5 EGBERN Cc1c(CC(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894662527 1309011314 /nfs/dbraw/zinc/01/13/14/1309011314.db2.gz LIXQIILSOCKFHB-SFHVURJKSA-N 0 0 346.427 3.301 10 5 EGBERN Cc1ccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894671898 1309016674 /nfs/dbraw/zinc/01/66/74/1309016674.db2.gz FQGZMMPASYUDAQ-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(N1CC[C@H]([C@@H]2CCCO2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894694405 1309024743 /nfs/dbraw/zinc/02/47/43/1309024743.db2.gz CZKDAGVKOAFQQJ-YOEHRIQHSA-N 0 0 344.411 3.044 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895577612 1309411266 /nfs/dbraw/zinc/41/12/66/1309411266.db2.gz OJQQGDSBEKZDMQ-YVZNUBBCSA-N 0 0 330.306 3.261 10 5 EGBERN O=[N+]([O-])c1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647700 1309446961 /nfs/dbraw/zinc/44/69/61/1309446961.db2.gz LHGVDDJROFNSGA-FZKQIMNGSA-N 0 0 344.342 3.093 10 5 EGBERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798981 1309526341 /nfs/dbraw/zinc/52/63/41/1309526341.db2.gz NKVXTWRQSGZVNJ-GFCCVEGCSA-N 0 0 344.392 3.108 10 5 EGBERN CC1(C)CC[C@H](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)OC1 ZINC000895958333 1309612364 /nfs/dbraw/zinc/61/23/64/1309612364.db2.gz OCCKAJOBKSSBOD-CYBMUJFWSA-N 0 0 331.372 3.316 10 5 EGBERN CC(=O)c1cc(NCc2cc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC000896062784 1309680636 /nfs/dbraw/zinc/68/06/36/1309680636.db2.gz PWPDVOGYVPSIMK-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@@H](C)O)c1C ZINC000898991390 1310899820 /nfs/dbraw/zinc/89/98/20/1310899820.db2.gz XROUSCHMHGCNLT-DYVFJYSZSA-N 0 0 328.368 3.064 10 5 EGBERN Cn1ncc(C2CCC2)c1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000857575590 1328551474 /nfs/dbraw/zinc/55/14/74/1328551474.db2.gz VAHVSUBMLXLXDC-UHFFFAOYSA-N 0 0 336.298 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(C(F)(F)F)CCOCC1 ZINC000857578407 1328552752 /nfs/dbraw/zinc/55/27/52/1328552752.db2.gz KALFVZXYUHNDEX-UHFFFAOYSA-N 0 0 333.262 3.168 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858007863 1328655185 /nfs/dbraw/zinc/65/51/85/1328655185.db2.gz FOVZQGOWQCBNJR-CYBMUJFWSA-N 0 0 346.412 3.372 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858008047 1328655311 /nfs/dbraw/zinc/65/53/11/1328655311.db2.gz HMDYVSFKMZBAAD-HNNXBMFYSA-N 0 0 340.383 3.310 10 5 EGBERN Cc1ccc(O[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000858008910 1328655483 /nfs/dbraw/zinc/65/54/83/1328655483.db2.gz NDLKOLSBEZVPNO-LBPRGKRZSA-N 0 0 334.763 3.004 10 5 EGBERN CC(C)(CCC(=O)N1Cc2ccccc2OC2(CCC2)C1)[N+](=O)[O-] ZINC000899829107 1317177943 /nfs/dbraw/zinc/17/79/43/1317177943.db2.gz HGTAYJJZFGRKEU-UHFFFAOYSA-N 0 0 332.400 3.166 10 5 EGBERN COC(=O)N1CCC(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858544223 1328792384 /nfs/dbraw/zinc/79/23/84/1328792384.db2.gz SEUYUNBFNJTCLA-UHFFFAOYSA-N 0 0 344.371 3.033 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCc2cccnc21 ZINC000913384717 1319020620 /nfs/dbraw/zinc/02/06/20/1319020620.db2.gz CMGXXJDUAFSBGE-LLVKDONJSA-N 0 0 349.749 3.129 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc(C2CC2)on1 ZINC000913388073 1319023009 /nfs/dbraw/zinc/02/30/09/1319023009.db2.gz UMCFNWDOLKWIRD-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN COC(=O)Cc1ccc(NCc2cc(C)nc(Cl)c2)c([N+](=O)[O-])c1 ZINC000858595777 1328805165 /nfs/dbraw/zinc/80/51/65/1328805165.db2.gz WMBWSABEVLYRDU-UHFFFAOYSA-N 0 0 349.774 3.279 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1sc2ccccc2c1=O ZINC000915206765 1319442376 /nfs/dbraw/zinc/44/23/76/1319442376.db2.gz VRHXMOTYENQBRX-LLVKDONJSA-N 0 0 341.392 3.380 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000930317253 1328832255 /nfs/dbraw/zinc/83/22/55/1328832255.db2.gz SDTRIFUBVFIAEI-AWEZNQCLSA-N 0 0 333.388 3.435 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000930317300 1328832384 /nfs/dbraw/zinc/83/23/84/1328832384.db2.gz TXUNMQPBBBCGDD-FFLHNBHYSA-N 0 0 333.388 3.291 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000858690448 1328832614 /nfs/dbraw/zinc/83/26/14/1328832614.db2.gz SKCBOTOZBUQDCA-SECBINFHSA-N 0 0 330.262 3.287 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000917522093 1319826681 /nfs/dbraw/zinc/82/66/81/1319826681.db2.gz VSPINBCONWAREA-HNNXBMFYSA-N 0 0 343.335 3.456 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000858794252 1328862932 /nfs/dbraw/zinc/86/29/32/1328862932.db2.gz CFQZNHNOZHZXRN-QONUSYMYSA-N 0 0 349.239 3.391 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC1(Cl)Cl ZINC000918534980 1319971178 /nfs/dbraw/zinc/97/11/78/1319971178.db2.gz RQWQOFQRNBKHDJ-JTQLQIEISA-N 0 0 334.155 3.231 10 5 EGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859398434 1328982483 /nfs/dbraw/zinc/98/24/83/1328982483.db2.gz ZYZTTWVNEVXPJS-HZMBPMFUSA-N 0 0 344.820 3.201 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000859381998 1328979849 /nfs/dbraw/zinc/97/98/49/1328979849.db2.gz IYEBDARXICHACG-UHFFFAOYSA-N 0 0 333.413 3.129 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)c1ccccc1)C(C)C ZINC000919012379 1322020158 /nfs/dbraw/zinc/02/01/58/1322020158.db2.gz CQTANOYKZZDYSR-QGZVFWFLSA-N 0 0 342.351 3.363 10 5 EGBERN CCOC1CC(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)C1 ZINC000920412336 1322174141 /nfs/dbraw/zinc/17/41/41/1322174141.db2.gz OYOBDVFSUUCYFV-UHFFFAOYSA-N 0 0 336.779 3.322 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3CC[C@H](C4CC4)O3)n2)c1 ZINC000920417997 1322175514 /nfs/dbraw/zinc/17/55/14/1322175514.db2.gz WITWCWMNHRGFBO-UONOGXRCSA-N 0 0 348.790 3.464 10 5 EGBERN O=C(OC[C@@H]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000921277553 1322285284 /nfs/dbraw/zinc/28/52/84/1322285284.db2.gz SKMYDBXEGAXUQC-CYBMUJFWSA-N 0 0 327.340 3.294 10 5 EGBERN CC[C@H](NC(=O)NC[C@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000921334301 1322294648 /nfs/dbraw/zinc/29/46/48/1322294648.db2.gz JMQARJRAGKXPTQ-RDJZCZTQSA-N 0 0 335.404 3.304 10 5 EGBERN C[C@@H](NS(=O)(=O)C1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000921365266 1322301955 /nfs/dbraw/zinc/30/19/55/1322301955.db2.gz IHNONAWBYJHPAA-MQYJIDSJSA-N 0 0 326.418 3.154 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922217050 1322480390 /nfs/dbraw/zinc/48/03/90/1322480390.db2.gz CYATXQLRGKICTO-MWLCHTKSSA-N 0 0 333.262 3.170 10 5 EGBERN CCc1onc(C)c1COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922664362 1322582855 /nfs/dbraw/zinc/58/28/55/1322582855.db2.gz OSUVZKUHJONGPE-UHFFFAOYSA-N 0 0 338.747 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1nc2c(s1)COCC2 ZINC000922960322 1322662401 /nfs/dbraw/zinc/66/24/01/1322662401.db2.gz MXQGVQZKJMNHJM-UHFFFAOYSA-N 0 0 333.413 3.031 10 5 EGBERN C/C(=C\C(=O)OCc1noc(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000859635838 1329041327 /nfs/dbraw/zinc/04/13/27/1329041327.db2.gz YKBRUMFCPJATLC-PKNBQFBNSA-N 0 0 343.339 3.392 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000931118368 1329054928 /nfs/dbraw/zinc/05/49/28/1329054928.db2.gz RVINZTXMURAHEJ-OAHLLOKOSA-N 0 0 342.399 3.029 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1CCC[C@@H](O)C1 ZINC000923966013 1322858643 /nfs/dbraw/zinc/85/86/43/1322858643.db2.gz BHVZZDUMHYJGQU-VXGBXAGGSA-N 0 0 341.791 3.275 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1CCC[C@H](O)C1 ZINC000923966005 1322858745 /nfs/dbraw/zinc/85/87/45/1322858745.db2.gz BHVZZDUMHYJGQU-NEPJUHHUSA-N 0 0 341.791 3.275 10 5 EGBERN C[C@@]1(c2noc(CCc3c(Cl)cccc3[N+](=O)[O-])n2)CCCO1 ZINC000923970860 1322860212 /nfs/dbraw/zinc/86/02/12/1322860212.db2.gz CHMHHGFNFKRWTR-HNNXBMFYSA-N 0 0 337.763 3.442 10 5 EGBERN O=C(NC[C@H]1CC2(CCC2)CO1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000924111061 1322903551 /nfs/dbraw/zinc/90/35/51/1322903551.db2.gz BASONICNMGKYPQ-SNVBAGLBSA-N 0 0 342.754 3.076 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000924400042 1323008435 /nfs/dbraw/zinc/00/84/35/1323008435.db2.gz NOYMMXBIXFXPCO-BPUTZDHNSA-N 0 0 331.416 3.215 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CCCO1 ZINC000924423000 1323019046 /nfs/dbraw/zinc/01/90/46/1323019046.db2.gz ADNUJNAIAGJXQD-MRXNPFEDSA-N 0 0 333.365 3.405 10 5 EGBERN C/C(=C/C(=O)NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000924949084 1323225839 /nfs/dbraw/zinc/22/58/39/1323225839.db2.gz XOTZRQCCAYTWGG-OWBHPGMISA-N 0 0 344.411 3.200 10 5 EGBERN CCCCNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810433 1329083646 /nfs/dbraw/zinc/08/36/46/1329083646.db2.gz OAJAIOICJSJPTP-LBPRGKRZSA-N 0 0 344.367 3.210 10 5 EGBERN O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811559 1329083082 /nfs/dbraw/zinc/08/30/82/1329083082.db2.gz RZMGMXNZQDUNAS-CYBMUJFWSA-N 0 0 341.319 3.001 10 5 EGBERN CCN(CC)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810389 1329083531 /nfs/dbraw/zinc/08/35/31/1329083531.db2.gz MXRUXCHHSWUBPL-GFCCVEGCSA-N 0 0 344.367 3.162 10 5 EGBERN O=C(NC[C@H]1CC[C@H](C2CC2)O1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297677 1329088448 /nfs/dbraw/zinc/08/84/48/1329088448.db2.gz NFNHSUHOJLCNAT-ZWNOBZJWSA-N 0 0 339.779 3.327 10 5 EGBERN CC[C@H](NC(=O)[C@H]1C[C@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000859908567 1329109854 /nfs/dbraw/zinc/10/98/54/1329109854.db2.gz NCBYGIIWYHBVFO-DYEKYZERSA-N 0 0 341.205 3.336 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@]2(CCOC2)C1 ZINC000859999558 1329125460 /nfs/dbraw/zinc/12/54/60/1329125460.db2.gz SJTQAOSYEGUPBZ-GOSISDBHSA-N 0 0 326.352 3.001 10 5 EGBERN C[C@H](OC(=O)[C@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000860120475 1329151861 /nfs/dbraw/zinc/15/18/61/1329151861.db2.gz SSVBCWFFHHWQCX-PLMOITTCSA-N 0 0 328.162 3.373 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000931678029 1329162485 /nfs/dbraw/zinc/16/24/85/1329162485.db2.gz SEEWWWCUEVGQNY-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCC12CC2 ZINC000860176510 1329166815 /nfs/dbraw/zinc/16/68/15/1329166815.db2.gz FOZPVQGLOSYQTI-ZDUSSCGKSA-N 0 0 343.339 3.268 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCC12CC2 ZINC000860178986 1329167784 /nfs/dbraw/zinc/16/77/84/1329167784.db2.gz HCJQMKUCKCEFMH-CQSZACIVSA-N 0 0 333.340 3.085 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860586263 1329333440 /nfs/dbraw/zinc/33/34/40/1329333440.db2.gz ZQUQERHVCAHRJX-VXFNFUGZSA-N 0 0 327.768 3.182 10 5 EGBERN CC(C)OC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860847836 1329362223 /nfs/dbraw/zinc/36/22/23/1329362223.db2.gz FKLRBGHPTZETMC-UHFFFAOYSA-N 0 0 344.367 3.210 10 5 EGBERN Cn1ccnc1[C@@H](NCCC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926949160 1327791241 /nfs/dbraw/zinc/79/12/41/1327791241.db2.gz JBIDKQYSDCSEDF-KRWDZBQOSA-N 0 0 326.400 3.364 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccns1 ZINC000861056163 1329382847 /nfs/dbraw/zinc/38/28/47/1329382847.db2.gz CETYVFZGLUBNQQ-VIFPVBQESA-N 0 0 336.373 3.333 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nccc3c2CCCC3)c1C ZINC000927606435 1328075492 /nfs/dbraw/zinc/07/54/92/1328075492.db2.gz BOLDKGNONYKAAO-UHFFFAOYSA-N 0 0 339.395 3.415 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000861181216 1329395309 /nfs/dbraw/zinc/39/53/09/1329395309.db2.gz LLBFYTINTFANNG-SCZZXKLOSA-N 0 0 344.161 3.078 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@@H]1C ZINC000861198402 1329396304 /nfs/dbraw/zinc/39/63/04/1329396304.db2.gz DCTRBPKOEVGZMT-YVEFUNNKSA-N 0 0 328.368 3.245 10 5 EGBERN CC[C@]1(CO)CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861202539 1329396964 /nfs/dbraw/zinc/39/69/64/1329396964.db2.gz NSUFTJKKIIQSSI-GOSISDBHSA-N 0 0 328.368 3.125 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000928090790 1328195291 /nfs/dbraw/zinc/19/52/91/1328195291.db2.gz UWFGZCXJPOUCQM-SUMWQHHRSA-N 0 0 344.342 3.413 10 5 EGBERN Cc1c(C(=O)N2CCS[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000928141230 1328214004 /nfs/dbraw/zinc/21/40/04/1328214004.db2.gz MIRXBQFPWGXLOC-NSHDSACASA-N 0 0 334.319 3.023 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1CC(=O)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000928245933 1328252947 /nfs/dbraw/zinc/25/29/47/1328252947.db2.gz ZPAMVLJTAPCDQT-GFCCVEGCSA-N 0 0 338.363 3.144 10 5 EGBERN Cc1cc(CO)cc(C)c1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000928469899 1328329972 /nfs/dbraw/zinc/32/99/72/1328329972.db2.gz CIZICJCZPVZDHP-CQSZACIVSA-N 0 0 342.395 3.124 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928594891 1328368093 /nfs/dbraw/zinc/36/80/93/1328368093.db2.gz JPELQPNDRHTSGA-JTQLQIEISA-N 0 0 349.412 3.262 10 5 EGBERN Cc1cc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)nn1C ZINC000861444482 1329418842 /nfs/dbraw/zinc/41/88/42/1329418842.db2.gz OICWCWIQKJQROZ-GFCCVEGCSA-N 0 0 343.261 3.097 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000929116599 1328509467 /nfs/dbraw/zinc/50/94/67/1328509467.db2.gz SWTSRKHULWXSEP-CQSZACIVSA-N 0 0 333.388 3.265 10 5 EGBERN COc1cnc(F)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000861586456 1329428387 /nfs/dbraw/zinc/42/83/87/1329428387.db2.gz QYQKJNZEYUVLNE-JTQLQIEISA-N 0 0 348.334 3.329 10 5 EGBERN COC1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861951005 1329452799 /nfs/dbraw/zinc/45/27/99/1329452799.db2.gz OIMFQWUTDDBNAV-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862394540 1329482039 /nfs/dbraw/zinc/48/20/39/1329482039.db2.gz IJDKHMXUBCXWCM-ZDUSSCGKSA-N 0 0 328.368 3.295 10 5 EGBERN C/C=C\C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340403 1329548428 /nfs/dbraw/zinc/54/84/28/1329548428.db2.gz KKYZSDAXYVKVID-GWQWAINWSA-N 0 0 341.415 3.489 10 5 EGBERN Cn1nc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000863344519 1329548738 /nfs/dbraw/zinc/54/87/38/1329548738.db2.gz LEROYZRNBZYPCF-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN CC(C)(CCC(=O)NC1(c2c(F)cccc2F)CCC1)[N+](=O)[O-] ZINC000863837557 1329584326 /nfs/dbraw/zinc/58/43/26/1329584326.db2.gz TYGBPIKVGRLOBN-UHFFFAOYSA-N 0 0 326.343 3.296 10 5 EGBERN C[C@H](NC(=O)c1cnn(CC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000864105067 1329598087 /nfs/dbraw/zinc/59/80/87/1329598087.db2.gz IRRJESTYLHZATJ-ZDUSSCGKSA-N 0 0 342.399 3.473 10 5 EGBERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000864906501 1329650871 /nfs/dbraw/zinc/65/08/71/1329650871.db2.gz PTCCCTUSJQSLPU-UHFFFAOYSA-N 0 0 341.411 3.137 10 5 EGBERN Cc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000865327507 1329686541 /nfs/dbraw/zinc/68/65/41/1329686541.db2.gz IUYWQIFTPZXTKF-UHFFFAOYSA-N 0 0 331.372 3.048 10 5 EGBERN CCC[C@H](O)CCCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000865381510 1329690436 /nfs/dbraw/zinc/69/04/36/1329690436.db2.gz KUHLADBMMBDGMY-HNNXBMFYSA-N 0 0 340.445 3.232 10 5 EGBERN CC(=O)c1cccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000865568211 1329714441 /nfs/dbraw/zinc/71/44/41/1329714441.db2.gz ZTKYMTNIKDLVCL-UHFFFAOYSA-N 0 0 341.367 3.240 10 5 EGBERN CCC[C@@H](O)CCCSc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000866034290 1330057747 /nfs/dbraw/zinc/05/77/47/1330057747.db2.gz WAIAUPTXGMKRJX-MRVPVSSYSA-N 0 0 341.355 3.380 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1OC(F)F ZINC000866045286 1330059037 /nfs/dbraw/zinc/05/90/37/1330059037.db2.gz MQFMDSCMXWZPJJ-FDEBYTSZSA-N 0 0 326.299 3.032 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000866129554 1330068545 /nfs/dbraw/zinc/06/85/45/1330068545.db2.gz ICSDASNZKMDNRR-ABAIWWIYSA-N 0 0 337.351 3.061 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC4(CO3)CCOCC4)sc2c1 ZINC000866176639 1330073777 /nfs/dbraw/zinc/07/37/77/1330073777.db2.gz HZCNXCRUBLHTFN-GFCCVEGCSA-N 0 0 349.412 3.202 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC4(CO3)CCOCC4)ccc2c1 ZINC000866177035 1330073789 /nfs/dbraw/zinc/07/37/89/1330073789.db2.gz UYJOGNOEULSFNC-OAHLLOKOSA-N 0 0 343.383 3.141 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC(=O)c2ccccc2O1 ZINC000866189891 1330075835 /nfs/dbraw/zinc/07/58/35/1330075835.db2.gz SPAVUZXVNRNZAW-AWEZNQCLSA-N 0 0 342.351 3.187 10 5 EGBERN CC(=O)c1ccc(NC[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])c1 ZINC000866195256 1330076547 /nfs/dbraw/zinc/07/65/47/1330076547.db2.gz QERLRWCKNVIGBZ-SFHVURJKSA-N 0 0 325.368 3.396 10 5 EGBERN Cc1cc(NCc2ccc(CN3CCNC3=O)cc2)c([N+](=O)[O-])s1 ZINC000866197440 1330077158 /nfs/dbraw/zinc/07/71/58/1330077158.db2.gz KEPDQQMVYUCYKX-UHFFFAOYSA-N 0 0 346.412 3.102 10 5 EGBERN COc1ccccc1[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000866234182 1330082006 /nfs/dbraw/zinc/08/20/06/1330082006.db2.gz WJJGQIAAUYSURX-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000866234181 1330082088 /nfs/dbraw/zinc/08/20/88/1330082088.db2.gz WJJGQIAAUYSURX-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2ccc(F)cc2[N+](=O)[O-])no1 ZINC000866251260 1330085724 /nfs/dbraw/zinc/08/57/24/1330085724.db2.gz QGDVCJZHDHVGJP-VGPLMAKISA-N 0 0 332.335 3.340 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866260018 1330086887 /nfs/dbraw/zinc/08/68/87/1330086887.db2.gz RUWWUWGWUPYSLN-YOEHRIQHSA-N 0 0 332.331 3.165 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000868033865 1330242605 /nfs/dbraw/zinc/24/26/05/1330242605.db2.gz PTUFKGNLIKQMSU-CQSZACIVSA-N 0 0 329.356 3.373 10 5 EGBERN CCOC(CN(CC)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000868772418 1330338900 /nfs/dbraw/zinc/33/89/00/1330338900.db2.gz IIDOUMIEXNBCIV-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN C[C@@H]1OCC[C@H]1COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000869490684 1330510400 /nfs/dbraw/zinc/51/04/00/1330510400.db2.gz CRBAWSISOOXCSN-STQMWFEESA-N 0 0 337.375 3.263 10 5 EGBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N(CC1CC1)c1cccc(F)c1 ZINC000869716535 1330552569 /nfs/dbraw/zinc/55/25/69/1330552569.db2.gz BWTSPSRMIFFYAW-KRWDZBQOSA-N 0 0 344.342 3.211 10 5 EGBERN COc1ccncc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809930 1330568618 /nfs/dbraw/zinc/56/86/18/1330568618.db2.gz CASFGEFAOQTPKN-UHFFFAOYSA-N 0 0 342.351 3.164 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])nc2C1 ZINC000869857475 1330577851 /nfs/dbraw/zinc/57/78/51/1330577851.db2.gz LMKNXJWFUCFNGS-SNVBAGLBSA-N 0 0 349.774 3.384 10 5 EGBERN CN(C)Cc1nc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])co1 ZINC000952995077 1334633078 /nfs/dbraw/zinc/63/30/78/1334633078.db2.gz CHQLTVSKFVDLLG-UHFFFAOYSA-N 0 0 344.293 3.275 10 5 EGBERN O=[N+]([O-])c1c(Sc2nnnn2C2CC2)cccc1C(F)(F)F ZINC001184672574 1387506780 /nfs/dbraw/zinc/50/67/80/1387506780.db2.gz CFOPTPGRIZTKBH-UHFFFAOYSA-N 0 0 331.279 3.086 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOc1ccccc1F ZINC001184750229 1387528022 /nfs/dbraw/zinc/52/80/22/1387528022.db2.gz JPWPVGMDPUTHKA-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN COC(=O)c1ccnc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001185775142 1387796108 /nfs/dbraw/zinc/79/61/08/1387796108.db2.gz CCGTYBZPRSZTHP-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN NC(=O)c1cc(N[C@@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC001185979737 1387840119 /nfs/dbraw/zinc/84/01/19/1387840119.db2.gz RUZWWQRUQWJBQL-CQSZACIVSA-N 0 0 345.330 3.159 10 5 EGBERN COc1ccc(Cl)cc1Cn1cc([N+](=O)[O-])nc1Br ZINC001189769215 1367106228 /nfs/dbraw/zinc/10/62/28/1367106228.db2.gz AZXUYNAEIWXWER-UHFFFAOYSA-N 0 0 346.568 3.264 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCC[C@@H]1CCOC1 ZINC001186453215 1387946446 /nfs/dbraw/zinc/94/64/46/1387946446.db2.gz YOJOEKNGZLYUEN-LLVKDONJSA-N 0 0 335.791 3.447 10 5 EGBERN O=C1CC[C@@H](c2cccc(Nc3c4ccccc4ncc3[N+](=O)[O-])c2)N1 ZINC001186714662 1387999934 /nfs/dbraw/zinc/99/99/34/1387999934.db2.gz UOOMBHWVUFLBAO-HNNXBMFYSA-N 0 0 348.362 3.260 10 5 EGBERN Cc1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])cc(=O)[nH]1 ZINC001186748722 1388003583 /nfs/dbraw/zinc/00/35/83/1388003583.db2.gz VRGLGWMYPUZUMT-UHFFFAOYSA-N 0 0 344.758 3.239 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(CO)cc2)cc1C ZINC001186821477 1388011185 /nfs/dbraw/zinc/01/11/85/1388011185.db2.gz JIMROLJQWURUEO-UHFFFAOYSA-N 0 0 344.367 3.184 10 5 EGBERN O=C1Nc2ccc(Nc3c4ccccc4ncc3[N+](=O)[O-])cc2CO1 ZINC001187044718 1388045151 /nfs/dbraw/zinc/04/51/51/1388045151.db2.gz MUQMGISURGHRCG-UHFFFAOYSA-N 0 0 336.307 3.371 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2nnc(Cc3ccccn3)o2)c(Cl)c1 ZINC001325780896 1388045526 /nfs/dbraw/zinc/04/55/26/1388045526.db2.gz ZEWIAKZXBYBYPV-UHFFFAOYSA-N 0 0 330.731 3.208 10 5 EGBERN COc1ccc(C[C@H](C)N(C)c2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001116050092 1370827527 /nfs/dbraw/zinc/82/75/27/1370827527.db2.gz OGKIJJAGEZHBKB-NSHDSACASA-N 0 0 346.412 3.380 10 5 EGBERN COc1cccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC001116501218 1370924904 /nfs/dbraw/zinc/92/49/04/1370924904.db2.gz CYFMSGXVGLNOKQ-KRWDZBQOSA-N 0 0 343.383 3.019 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](O)C(F)(F)C(F)(F)F ZINC001187430750 1388106817 /nfs/dbraw/zinc/10/68/17/1388106817.db2.gz ODXIPUWBIBVBPF-QMMMGPOBSA-N 0 0 334.628 3.219 10 5 EGBERN CN(Cc1ncccn1)c1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001187437828 1388107694 /nfs/dbraw/zinc/10/76/94/1388107694.db2.gz MVNBJUSQBYNUNB-UHFFFAOYSA-N 0 0 329.747 3.223 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118483365 1371188725 /nfs/dbraw/zinc/18/87/25/1371188725.db2.gz YGIWDJJYMWJYGH-JIMOISOXSA-N 0 0 341.310 3.328 10 5 EGBERN CN(C)[C@@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(F)(F)F ZINC001187559977 1388126075 /nfs/dbraw/zinc/12/60/75/1388126075.db2.gz VLQDAYQTOJYUPO-ZDUSSCGKSA-N 0 0 346.353 3.163 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CC[C@@H]4C[C@@H]43)c2c1 ZINC001187632954 1388134143 /nfs/dbraw/zinc/13/41/43/1388134143.db2.gz GYTNKUKGXRWJBM-DMDPSCGWSA-N 0 0 342.355 3.321 10 5 EGBERN CCO[C@]12CCC[C@@]1(NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CCO2 ZINC001121166152 1371873415 /nfs/dbraw/zinc/87/34/15/1371873415.db2.gz CSCVNRWMSJONTM-MSOLQXFVSA-N 0 0 348.399 3.017 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001187871687 1388180992 /nfs/dbraw/zinc/18/09/92/1388180992.db2.gz OPAJQSYLADCVMS-CFNZNRNTSA-N 0 0 341.367 3.219 10 5 EGBERN Cc1ccc2ncnc(Oc3cc4c(cc3[N+](=O)[O-])OCCO4)c2c1 ZINC001187880803 1388182931 /nfs/dbraw/zinc/18/29/31/1388182931.db2.gz QTSPFQNLKNGBTB-UHFFFAOYSA-N 0 0 339.307 3.410 10 5 EGBERN CCOC(=O)c1ccnc(NCCCc2ccsc2)c1[N+](=O)[O-] ZINC001187912619 1388189563 /nfs/dbraw/zinc/18/95/63/1388189563.db2.gz AHFMNYZDPJWVRZ-UHFFFAOYSA-N 0 0 335.385 3.273 10 5 EGBERN Cc1nn(CCC(=O)OCC[C@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC001123115400 1372383728 /nfs/dbraw/zinc/38/37/28/1372383728.db2.gz SXDVMOBDSMKPGM-GFCCVEGCSA-N 0 0 345.346 3.167 10 5 EGBERN COCC[C@@H](NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)c1cccnc1 ZINC001123890452 1372618702 /nfs/dbraw/zinc/61/87/02/1372618702.db2.gz VYIPLQNFTMLZPD-OAHLLOKOSA-N 0 0 343.383 3.114 10 5 EGBERN C[C@H](C(=O)N1CCO[C@H](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001124087745 1372670677 /nfs/dbraw/zinc/67/06/77/1372670677.db2.gz HNIZKUZOFYUPCY-BBRMVZONSA-N 0 0 334.416 3.362 10 5 EGBERN Cn1nc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC001124332699 1372692697 /nfs/dbraw/zinc/69/26/97/1372692697.db2.gz KVTOOTQLFYMISK-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001124331842 1372692877 /nfs/dbraw/zinc/69/28/77/1372692877.db2.gz LXXMVHVFCUTDMT-HNNXBMFYSA-N 0 0 334.303 3.069 10 5 EGBERN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)OCCc2ccccc21 ZINC001124331860 1372692890 /nfs/dbraw/zinc/69/28/90/1372692890.db2.gz NBBSMSUXRDCDMD-KRWDZBQOSA-N 0 0 330.315 3.161 10 5 EGBERN Cc1nn(CC(F)F)cc1C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001124517530 1372708276 /nfs/dbraw/zinc/70/82/76/1372708276.db2.gz OJFRDBLHQDQFJP-UHFFFAOYSA-N 0 0 339.298 3.201 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)Oc3cccc([N+](=O)[O-])c3C)c2n1 ZINC001125296515 1372767577 /nfs/dbraw/zinc/76/75/77/1372767577.db2.gz HGJFTTMUGSGAEX-UHFFFAOYSA-N 0 0 325.324 3.387 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001125407001 1372782923 /nfs/dbraw/zinc/78/29/23/1372782923.db2.gz OLORYSDNDMGODI-UHFFFAOYSA-N 0 0 337.238 3.342 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001125485514 1372794672 /nfs/dbraw/zinc/79/46/72/1372794672.db2.gz LJXGTAKUUBIRBI-UHFFFAOYSA-N 0 0 344.323 3.439 10 5 EGBERN C[C@H]1CCCC[C@H]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001126125947 1372939388 /nfs/dbraw/zinc/93/93/88/1372939388.db2.gz GIGMXPDPLJHMAK-RYUDHWBXSA-N 0 0 334.372 3.270 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cccc(F)c2F)c1C ZINC001126126568 1372940259 /nfs/dbraw/zinc/94/02/59/1372940259.db2.gz QCGZVWYODYYBKQ-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cnn(C)c1Cl ZINC001126318666 1372956639 /nfs/dbraw/zinc/95/66/39/1372956639.db2.gz PWBYFUIHLJQZLF-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN O=C(c1cc2ccncc2s1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126612687 1372983210 /nfs/dbraw/zinc/98/32/10/1372983210.db2.gz XTCYMOYLSVXZOV-UHFFFAOYSA-N 0 0 325.349 3.361 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C2CC2)nn1C ZINC001326560623 1388240531 /nfs/dbraw/zinc/24/05/31/1388240531.db2.gz OLNWMGBORBVESQ-ZDUSSCGKSA-N 0 0 342.399 3.413 10 5 EGBERN CCC[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001126982706 1373063087 /nfs/dbraw/zinc/06/30/87/1373063087.db2.gz GBSVQLRWKSSYNH-ZDUSSCGKSA-N 0 0 348.399 3.408 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC001126988347 1373063743 /nfs/dbraw/zinc/06/37/43/1373063743.db2.gz GPWCYEBJQVHRNJ-HNNXBMFYSA-N 0 0 337.395 3.499 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1scnc1C(F)(F)F ZINC001127272289 1373111129 /nfs/dbraw/zinc/11/11/29/1373111129.db2.gz LYSADMJVSGKGMA-UHFFFAOYSA-N 0 0 336.222 3.428 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(F)F)o1 ZINC001127396285 1373123456 /nfs/dbraw/zinc/12/34/56/1373123456.db2.gz JZIHDIUTECUFNN-UHFFFAOYSA-N 0 0 326.255 3.064 10 5 EGBERN CC[C@H](OC(=O)c1cc(C(=O)OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001127624860 1373149384 /nfs/dbraw/zinc/14/93/84/1373149384.db2.gz WQEOWOSAELGWMG-HNNXBMFYSA-N 0 0 344.323 3.085 10 5 EGBERN CC[C@@H](OC(=O)COCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001127733342 1373170645 /nfs/dbraw/zinc/17/06/45/1373170645.db2.gz SPLLYYFYRKNJRW-MRXNPFEDSA-N 0 0 330.340 3.201 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccccc2OC(F)(F)F)n1 ZINC001127876191 1373193965 /nfs/dbraw/zinc/19/39/65/1373193965.db2.gz YTBPJTWEKCARCQ-UHFFFAOYSA-N 0 0 342.229 3.416 10 5 EGBERN Cc1c(CNC(=O)c2noc3c2CC(C)(C)CC3)cccc1[N+](=O)[O-] ZINC001128004949 1373208011 /nfs/dbraw/zinc/20/80/11/1373208011.db2.gz PKOCHRKDZDBCCX-UHFFFAOYSA-N 0 0 343.383 3.336 10 5 EGBERN COc1ccc(OC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001128088953 1373217238 /nfs/dbraw/zinc/21/72/38/1373217238.db2.gz BFWNCRNGLMZIFS-CXAGYDPISA-N 0 0 331.299 3.394 10 5 EGBERN CCO[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001128295709 1373248187 /nfs/dbraw/zinc/24/81/87/1373248187.db2.gz XDKNCCFELSNLKV-KRWDZBQOSA-N 0 0 334.416 3.191 10 5 EGBERN CN(C(=O)c1ccnc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC001128453734 1373270974 /nfs/dbraw/zinc/27/09/74/1373270974.db2.gz FSFNPUNAXWRUHV-UHFFFAOYSA-N 0 0 342.742 3.468 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ocnc1-c1ccccc1 ZINC001128630181 1373299385 /nfs/dbraw/zinc/29/93/85/1373299385.db2.gz DOEYJRRVOQQWPE-UHFFFAOYSA-N 0 0 337.335 3.222 10 5 EGBERN CC(=O)c1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)s1 ZINC001128846692 1373315698 /nfs/dbraw/zinc/31/56/98/1373315698.db2.gz DEFUAXKXYGNWKT-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN CCc1coc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001128891266 1373321739 /nfs/dbraw/zinc/32/17/39/1373321739.db2.gz SJUTUWRZDYMJNU-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN Cc1cc(C(F)F)n(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n1 ZINC001128950686 1373327188 /nfs/dbraw/zinc/32/71/88/1373327188.db2.gz AIFXQITZKJTGTN-UHFFFAOYSA-N 0 0 344.705 3.329 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccccc2OCCF)ccc1[N+](=O)[O-] ZINC001129260866 1373366033 /nfs/dbraw/zinc/36/60/33/1373366033.db2.gz UGMNGEILSCYXQR-UHFFFAOYSA-N 0 0 348.330 3.269 10 5 EGBERN O=C(Nc1ccnn1-c1ccccn1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001129272433 1373367360 /nfs/dbraw/zinc/36/73/60/1373367360.db2.gz SVEIKQAKVNKNNE-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CC(C)(NC(=O)c1nccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001129287289 1373368868 /nfs/dbraw/zinc/36/88/68/1373368868.db2.gz XBKUQBNEBILLAS-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN Cc1cccc2c1OC[C@@H](NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC001129554098 1373397054 /nfs/dbraw/zinc/39/70/54/1373397054.db2.gz LPMNGZASKIMNEF-HNNXBMFYSA-N 0 0 340.379 3.254 10 5 EGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1csnn1 ZINC001129971581 1373441914 /nfs/dbraw/zinc/44/19/14/1373441914.db2.gz OBIJEHDWUUPITN-ZETCQYMHSA-N 0 0 334.382 3.152 10 5 EGBERN Cc1cc(C(=O)NC[C@@H]2CSc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001130167952 1373468500 /nfs/dbraw/zinc/46/85/00/1373468500.db2.gz LAQXIBIPAMUBGG-CYBMUJFWSA-N 0 0 344.392 3.186 10 5 EGBERN CC(=O)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1C ZINC001130241871 1373478088 /nfs/dbraw/zinc/47/80/88/1373478088.db2.gz UFLMLVFWUYQNSO-UHFFFAOYSA-N 0 0 330.315 3.426 10 5 EGBERN CC(=O)[C@@H]1C[C@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC001130758981 1373588619 /nfs/dbraw/zinc/58/86/19/1373588619.db2.gz VTJGACBVPCUQMJ-LSDHHAIUSA-N 0 0 341.367 3.333 10 5 EGBERN Cc1ccc(/C=C/C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC001130760950 1373588950 /nfs/dbraw/zinc/58/89/50/1373588950.db2.gz AEZMRHJJBNLUDR-BQYQJAHWSA-N 0 0 334.335 3.498 10 5 EGBERN CCC(=O)c1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001130847280 1373598427 /nfs/dbraw/zinc/59/84/27/1373598427.db2.gz OLRAXXCROIQSBP-UHFFFAOYSA-N 0 0 344.279 3.315 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(Cl)Cl ZINC001130956991 1373615733 /nfs/dbraw/zinc/61/57/33/1373615733.db2.gz LGROJCMEQBEAGM-JTQLQIEISA-N 0 0 326.139 3.275 10 5 EGBERN Cc1c(Cl)c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])nn1C ZINC001130960195 1373616296 /nfs/dbraw/zinc/61/62/96/1373616296.db2.gz WWDGWHQJTTUELJ-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN O=C(COc1ccccc1F)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001131039340 1373629944 /nfs/dbraw/zinc/62/99/44/1373629944.db2.gz UAIMXTGUIJHTBO-UHFFFAOYSA-N 0 0 344.342 3.482 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCc1cnsc1 ZINC001131166412 1373656183 /nfs/dbraw/zinc/65/61/83/1373656183.db2.gz PUDSGTQZXZKIQW-UHFFFAOYSA-N 0 0 326.761 3.381 10 5 EGBERN Cc1nc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cs1 ZINC001131249469 1373669100 /nfs/dbraw/zinc/66/91/00/1373669100.db2.gz YRILVGZIWCBFER-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN CCOc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)nc1C ZINC001131393495 1373688211 /nfs/dbraw/zinc/68/82/11/1373688211.db2.gz AJNHKACCIULRGJ-UHFFFAOYSA-N 0 0 337.282 3.227 10 5 EGBERN COCc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC001131736944 1373778377 /nfs/dbraw/zinc/77/83/77/1373778377.db2.gz FLRZHLGRGNGAQQ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1nc(N2CCCC[C@H]2Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC001326764014 1388303173 /nfs/dbraw/zinc/30/31/73/1388303173.db2.gz FSRBTFYLAZPVQO-AWEZNQCLSA-N 0 0 330.363 3.434 10 5 EGBERN CCC(C)(C)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC001188626858 1388347226 /nfs/dbraw/zinc/34/72/26/1388347226.db2.gz CXGDZITZMCIZKQ-KRWDZBQOSA-N 0 0 333.388 3.188 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001132001032 1375091152 /nfs/dbraw/zinc/09/11/52/1375091152.db2.gz LYEQHTHWEAMYPN-GXTWGEPZSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1ncc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC001132244612 1375238878 /nfs/dbraw/zinc/23/88/78/1375238878.db2.gz HDPMGDRUOCQNFO-SECBINFHSA-N 0 0 342.380 3.399 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001327054184 1388369393 /nfs/dbraw/zinc/36/93/93/1388369393.db2.gz DBPNBYQSMZRYFB-UHFFFAOYSA-N 0 0 346.408 3.057 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(C(F)F)c1 ZINC001132607529 1375484279 /nfs/dbraw/zinc/48/42/79/1375484279.db2.gz CKGLEFQHOKUXBP-UHFFFAOYSA-N 0 0 336.298 3.246 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccc(Cl)s1 ZINC001132750643 1375546246 /nfs/dbraw/zinc/54/62/46/1375546246.db2.gz YTAOVYOSZGIINQ-HYXAFXHYSA-N 0 0 339.760 3.365 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001132825612 1375585049 /nfs/dbraw/zinc/58/50/49/1375585049.db2.gz PRPMMTLRBNMFBK-NWDGAFQWSA-N 0 0 344.298 3.205 10 5 EGBERN O=C(NCC1(CC2CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001132984979 1375693641 /nfs/dbraw/zinc/69/36/41/1375693641.db2.gz KQWHPVXGZWWLJR-UHFFFAOYSA-N 0 0 340.383 3.091 10 5 EGBERN CN(C)c1ccc(F)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001133183644 1375828538 /nfs/dbraw/zinc/82/85/38/1375828538.db2.gz IXVLUFLANXUIRZ-UHFFFAOYSA-N 0 0 347.346 3.208 10 5 EGBERN Cn1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc2ccccc21 ZINC001133259856 1375875528 /nfs/dbraw/zinc/87/55/28/1375875528.db2.gz IFTKQJCUNGHBGP-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001133480534 1376032599 /nfs/dbraw/zinc/03/25/99/1376032599.db2.gz UWRVZBYVCDYSCL-NSHDSACASA-N 0 0 329.312 3.302 10 5 EGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001133784332 1376206212 /nfs/dbraw/zinc/20/62/12/1376206212.db2.gz PHLCUVCFRROEEL-HSZRJFAPSA-N 0 0 337.401 3.042 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001133819307 1376217983 /nfs/dbraw/zinc/21/79/83/1376217983.db2.gz ZGYOSBDTYBYIAM-NHCYSSNCSA-N 0 0 340.782 3.482 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)c(F)cc2O1 ZINC001133930742 1376269393 /nfs/dbraw/zinc/26/93/93/1376269393.db2.gz MXCJFDIZCFNRCD-ZETCQYMHSA-N 0 0 340.307 3.362 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134310504 1376467861 /nfs/dbraw/zinc/46/78/61/1376467861.db2.gz ICBBQKWZQBEQLU-KGLIPLIRSA-N 0 0 346.408 3.497 10 5 EGBERN Cc1cc(C(=O)NCc2ccc(-c3cnco3)cc2)cc([N+](=O)[O-])c1 ZINC001134564381 1376597178 /nfs/dbraw/zinc/59/71/78/1376597178.db2.gz UGTOZSPAGWZWJU-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN COc1cc(C(=O)NCC2(OC)CCCCCC2)ccc1[N+](=O)[O-] ZINC001134674067 1376650390 /nfs/dbraw/zinc/65/03/90/1376650390.db2.gz ZBKCFDVCOAUBGG-UHFFFAOYSA-N 0 0 336.388 3.073 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2cnco2)cc1 ZINC001134771452 1376712835 /nfs/dbraw/zinc/71/28/35/1376712835.db2.gz GALADFIFJGPUBB-UHFFFAOYSA-N 0 0 337.335 3.109 10 5 EGBERN Cn1nc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001134891780 1376770588 /nfs/dbraw/zinc/77/05/88/1376770588.db2.gz YHQRYLLQUIZPOC-UHFFFAOYSA-N 0 0 338.367 3.398 10 5 EGBERN O=C(NC[C@@H]1OCc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001134975133 1376821805 /nfs/dbraw/zinc/82/18/05/1376821805.db2.gz KHVGTPLPVUTEGV-HNNXBMFYSA-N 0 0 348.305 3.074 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001135025221 1376855146 /nfs/dbraw/zinc/85/51/46/1376855146.db2.gz FLZNBUVNJBUVLZ-BXKDBHETSA-N 0 0 326.299 3.281 10 5 EGBERN Cc1c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)nnn1CC1CCCC1 ZINC001135146179 1376933249 /nfs/dbraw/zinc/93/32/49/1376933249.db2.gz FLMDXNDJLSKKMF-UHFFFAOYSA-N 0 0 343.387 3.246 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001135145325 1376933646 /nfs/dbraw/zinc/93/36/46/1376933646.db2.gz PKAYZYVSOXOGGI-UHFFFAOYSA-N 0 0 331.284 3.072 10 5 EGBERN Cc1c(NC(=O)Cc2cc(C(F)(F)F)ccn2)cccc1[N+](=O)[O-] ZINC001135304832 1377028360 /nfs/dbraw/zinc/02/83/60/1377028360.db2.gz RVEIUPYZZYTROA-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cnn21 ZINC001135494343 1377117772 /nfs/dbraw/zinc/11/77/72/1377117772.db2.gz BEQIDLMGFAZISH-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(C)cc1 ZINC001135505121 1377121908 /nfs/dbraw/zinc/12/19/08/1377121908.db2.gz WRMVMFKBKOAXPY-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1OCC ZINC001135522053 1377127660 /nfs/dbraw/zinc/12/76/60/1377127660.db2.gz MSNFOIAIBZSMBU-UHFFFAOYSA-N 0 0 345.355 3.227 10 5 EGBERN C[C@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001135679627 1377182157 /nfs/dbraw/zinc/18/21/57/1377182157.db2.gz XPNRSGNJGARFEL-JTQLQIEISA-N 0 0 329.331 3.298 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC/C=C/c1ccccc1 ZINC001266734751 1377369760 /nfs/dbraw/zinc/36/97/60/1377369760.db2.gz KPTKFOBTTAWCOL-QPJJXVBHSA-N 0 0 328.343 3.496 10 5 EGBERN CC[C@H](C)N(CCc1ccccc1F)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC001136451315 1377394522 /nfs/dbraw/zinc/39/45/22/1377394522.db2.gz TXQQHOPDSQNTFS-NSHDSACASA-N 0 0 348.378 3.249 10 5 EGBERN O=C([C@H](O)C1CCCCCCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001136912985 1377438944 /nfs/dbraw/zinc/43/89/44/1377438944.db2.gz WZOSAYHBOFWCLA-QGZVFWFLSA-N 0 0 332.400 3.205 10 5 EGBERN Cc1cccc(C(=O)N2CC(Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC001137086276 1377475804 /nfs/dbraw/zinc/47/58/04/1377475804.db2.gz NZPNKEGHEOGXIX-UHFFFAOYSA-N 0 0 346.333 3.496 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(C(F)(F)F)CC1 ZINC001140182962 1378027348 /nfs/dbraw/zinc/02/73/48/1378027348.db2.gz GUSOABCHCNFXGP-UHFFFAOYSA-N 0 0 336.697 3.249 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001275634131 1378149129 /nfs/dbraw/zinc/14/91/29/1378149129.db2.gz ACSRDIMJTVPOMK-LBPRGKRZSA-N 0 0 342.351 3.432 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2CC3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001277033768 1378201882 /nfs/dbraw/zinc/20/18/82/1378201882.db2.gz PTBWSTVRAIRGFF-PIMMBPRGSA-N 0 0 332.400 3.468 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001277585242 1378234643 /nfs/dbraw/zinc/23/46/43/1378234643.db2.gz KNORFHIIHUXACZ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CCNc1ccc(C(=O)Nc2cc3cc[nH]c3cn2)cc1[N+](=O)[O-] ZINC001277615525 1378237587 /nfs/dbraw/zinc/23/75/87/1378237587.db2.gz BDXRPZABKAIUED-UHFFFAOYSA-N 0 0 325.328 3.155 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC001141725397 1378366829 /nfs/dbraw/zinc/36/68/29/1378366829.db2.gz NOSMGIPQSLVMTI-UHFFFAOYSA-N 0 0 347.381 3.009 10 5 EGBERN COc1ccc(C[C@H](C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001141767458 1378372842 /nfs/dbraw/zinc/37/28/42/1378372842.db2.gz KZGWKTUDGICIGV-NSHDSACASA-N 0 0 329.356 3.003 10 5 EGBERN Nc1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001141767244 1378372927 /nfs/dbraw/zinc/37/29/27/1378372927.db2.gz BXBRBLSNLSMJAO-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001141848325 1378384965 /nfs/dbraw/zinc/38/49/65/1378384965.db2.gz TVDOMGSBIHHUKD-NSHDSACASA-N 0 0 330.388 3.351 10 5 EGBERN Cc1ncc(CN(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001141914656 1378393580 /nfs/dbraw/zinc/39/35/80/1378393580.db2.gz AZIHMDOGOKIJTF-UHFFFAOYSA-N 0 0 339.804 3.214 10 5 EGBERN COc1cc(NCCc2nc(C(C)C)no2)c(Cl)cc1[N+](=O)[O-] ZINC001327649907 1388573545 /nfs/dbraw/zinc/57/35/45/1388573545.db2.gz XLQUSGWQBAGCDE-UHFFFAOYSA-N 0 0 340.767 3.418 10 5 EGBERN O=C(Cc1ccccc1F)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001150280412 1379527365 /nfs/dbraw/zinc/52/73/65/1379527365.db2.gz NOBNCIRQDNKURR-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN O=C(Nc1cccc(F)c1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001151780424 1379779078 /nfs/dbraw/zinc/77/90/78/1379779078.db2.gz YZQSNQSLNXLIAS-UHFFFAOYSA-N 0 0 328.658 3.484 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC001152935452 1379996168 /nfs/dbraw/zinc/99/61/68/1379996168.db2.gz OCAWWBKZNAVPGM-QGZVFWFLSA-N 0 0 334.420 3.455 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001153184666 1380031772 /nfs/dbraw/zinc/03/17/72/1380031772.db2.gz FUFBDPZLXFRUDK-TZMCWYRMSA-N 0 0 346.362 3.026 10 5 EGBERN CC1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC(F)(F)C1 ZINC001153757334 1380123418 /nfs/dbraw/zinc/12/34/18/1380123418.db2.gz JZNPAKHWQCMGBQ-UHFFFAOYSA-N 0 0 336.298 3.359 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2O ZINC001153832736 1380139707 /nfs/dbraw/zinc/13/97/07/1380139707.db2.gz NEKQUCXSWQAITL-OAHLLOKOSA-N 0 0 346.314 3.111 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001328071339 1388661523 /nfs/dbraw/zinc/66/15/23/1388661523.db2.gz IQNXNRMLLLJEMJ-FRRDWIJNSA-N 0 0 339.342 3.136 10 5 EGBERN Cc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]n1 ZINC001157193649 1380804924 /nfs/dbraw/zinc/80/49/24/1380804924.db2.gz PUOYLOUKFHCCRZ-MRXNPFEDSA-N 0 0 328.372 3.302 10 5 EGBERN Cc1cc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC001157201536 1380807081 /nfs/dbraw/zinc/80/70/81/1380807081.db2.gz ULNQQFZVISHWQD-HNNXBMFYSA-N 0 0 346.362 3.062 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC001157524560 1380955574 /nfs/dbraw/zinc/95/55/74/1380955574.db2.gz PWHGDFVYLWLHQZ-ZDUSSCGKSA-N 0 0 342.395 3.498 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001157653304 1380990175 /nfs/dbraw/zinc/99/01/75/1380990175.db2.gz KJUSAAMGUWIURH-YOEHRIQHSA-N 0 0 329.400 3.044 10 5 EGBERN O=C(NCc1ccnc(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001287404382 1381198355 /nfs/dbraw/zinc/19/83/55/1381198355.db2.gz AVVJIELVEPFVED-UHFFFAOYSA-N 0 0 331.328 3.274 10 5 EGBERN COCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC ZINC001287439264 1381204504 /nfs/dbraw/zinc/20/45/04/1381204504.db2.gz GTXDBVFGCJXKJG-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1OC ZINC001287440396 1381206518 /nfs/dbraw/zinc/20/65/18/1381206518.db2.gz PTHLPCFLMSCEKW-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nc(C)n1 ZINC001287779979 1381376603 /nfs/dbraw/zinc/37/66/03/1381376603.db2.gz XYHQTSXILQSGQF-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001158895973 1381453370 /nfs/dbraw/zinc/45/33/70/1381453370.db2.gz GCMQKZBYZRVIPZ-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN COc1ccc(CCC(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC001287974579 1381458341 /nfs/dbraw/zinc/45/83/41/1381458341.db2.gz LMBGGYISLCODOG-UHFFFAOYSA-N 0 0 344.367 3.291 10 5 EGBERN COc1cccc(C(=O)Nc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC001288128721 1381570540 /nfs/dbraw/zinc/57/05/40/1381570540.db2.gz SFGPLJVNRDCUMF-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN O=C(NCC1(CC2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001288391323 1381799747 /nfs/dbraw/zinc/79/97/47/1381799747.db2.gz OLKXFFFBPGKIHA-UHFFFAOYSA-N 0 0 340.383 3.091 10 5 EGBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CCCC2)C1 ZINC001159541664 1381822821 /nfs/dbraw/zinc/82/28/21/1381822821.db2.gz HHGJWCFHJAGUBV-NVXWUHKLSA-N 0 0 332.400 3.057 10 5 EGBERN CNc1ccc(C(=O)N(C[C@@H]2CCC[C@H](C)C2)OC)cc1[N+](=O)[O-] ZINC001160269734 1382057231 /nfs/dbraw/zinc/05/72/31/1382057231.db2.gz WHARFGGWCZLSKR-QWHCGFSZSA-N 0 0 335.404 3.466 10 5 EGBERN CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1O ZINC001160321346 1382073087 /nfs/dbraw/zinc/07/30/87/1382073087.db2.gz QBPFAMBDTQZPHP-SECBINFHSA-N 0 0 346.314 3.384 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC001328483151 1388760785 /nfs/dbraw/zinc/76/07/85/1388760785.db2.gz UBYSCZWBUXQJHI-BONVTDFDSA-N 0 0 342.342 3.054 10 5 EGBERN CCSc1cccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001160659010 1382163018 /nfs/dbraw/zinc/16/30/18/1382163018.db2.gz KEYCFHLYCSXQFE-UHFFFAOYSA-N 0 0 340.792 3.013 10 5 EGBERN COc1ccc(/C=C(\C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC001160696435 1382173511 /nfs/dbraw/zinc/17/35/11/1382173511.db2.gz KYBPMQVIZITGOP-JXMROGBWSA-N 0 0 345.330 3.367 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001292405842 1382190848 /nfs/dbraw/zinc/19/08/48/1382190848.db2.gz MXCBQUZWKQOUSI-OUAUKWLOSA-N 0 0 342.827 3.410 10 5 EGBERN C[N@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001294217879 1382428108 /nfs/dbraw/zinc/42/81/08/1382428108.db2.gz GBSBLBXFHQLRBQ-UHFFFAOYSA-N 0 0 335.448 3.012 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOc2c(C)cccc2C)c1 ZINC001162157025 1382643721 /nfs/dbraw/zinc/64/37/21/1382643721.db2.gz BULLSGZJIDZHOF-UHFFFAOYSA-N 0 0 344.367 3.489 10 5 EGBERN CCc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1O ZINC001295670824 1382770709 /nfs/dbraw/zinc/77/07/09/1382770709.db2.gz PDQQVZITYYBUGX-UHFFFAOYSA-N 0 0 348.786 3.489 10 5 EGBERN C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)CC1(C)OCCO1 ZINC001162584114 1382798466 /nfs/dbraw/zinc/79/84/66/1382798466.db2.gz BELFOBRPUIMDTH-GFCCVEGCSA-N 0 0 335.404 3.070 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H](O)C2)cc1C ZINC001162591259 1382801611 /nfs/dbraw/zinc/80/16/11/1382801611.db2.gz INPSJUSWHMGLSY-CHWSQXEVSA-N 0 0 336.388 3.043 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](CO)CC1CCCC1 ZINC001163173837 1382984054 /nfs/dbraw/zinc/98/40/54/1382984054.db2.gz XMUQEPNMCLABJM-AWEZNQCLSA-N 0 0 329.400 3.166 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c[nH]c2cccc(F)c12 ZINC001163354861 1383029362 /nfs/dbraw/zinc/02/93/62/1383029362.db2.gz NSDGDBJOOQWISQ-UHFFFAOYSA-N 0 0 349.268 3.423 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCc1nccnc1Cl ZINC001163383670 1383038172 /nfs/dbraw/zinc/03/81/72/1383038172.db2.gz JUXNMNJUXKXDCD-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CC(F)(c2ccccc2F)C1 ZINC001163408777 1383045558 /nfs/dbraw/zinc/04/55/58/1383045558.db2.gz QLNMQZUXWOFSMS-UHFFFAOYSA-N 0 0 325.702 3.467 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001163668436 1383100098 /nfs/dbraw/zinc/10/00/98/1383100098.db2.gz LDXKTSBVRMFKLY-NEPJUHHUSA-N 0 0 346.387 3.165 10 5 EGBERN CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001163802681 1383123634 /nfs/dbraw/zinc/12/36/34/1383123634.db2.gz XZBILNCLEYECJA-YJBOKZPZSA-N 0 0 343.383 3.099 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CCC2(CCC2)O1 ZINC001163983477 1383143134 /nfs/dbraw/zinc/14/31/34/1383143134.db2.gz CLIVRRJVZIFDFG-GFCCVEGCSA-N 0 0 331.347 3.218 10 5 EGBERN CCn1cccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001297322764 1383143354 /nfs/dbraw/zinc/14/33/54/1383143354.db2.gz NBHZZMYMLYZVFU-UHFFFAOYSA-N 0 0 341.289 3.365 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001164078786 1383153688 /nfs/dbraw/zinc/15/36/88/1383153688.db2.gz YYZWGXIPSZGATC-VUDGCMKMSA-N 0 0 334.372 3.008 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1ccc2c(c1)OCCCO2 ZINC001164164606 1383161798 /nfs/dbraw/zinc/16/17/98/1383161798.db2.gz FXCOBBKGSBOZLJ-UHFFFAOYSA-N 0 0 349.774 3.459 10 5 EGBERN CC(C)Oc1nc(N[C@@H](CO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001164169836 1383162295 /nfs/dbraw/zinc/16/22/95/1383162295.db2.gz GQITTWAALHZNKO-OAHLLOKOSA-N 0 0 345.399 3.183 10 5 EGBERN Cc1c[nH]c(=O)c(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001164295073 1383175375 /nfs/dbraw/zinc/17/53/75/1383175375.db2.gz RTGLATLSNOXRLL-UHFFFAOYSA-N 0 0 328.250 3.030 10 5 EGBERN Cc1cc(OCc2cccc(CN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC001165303198 1383269804 /nfs/dbraw/zinc/26/98/04/1383269804.db2.gz KFFUSDSNNSAVOA-UHFFFAOYSA-N 0 0 342.395 3.314 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001165397532 1383286273 /nfs/dbraw/zinc/28/62/73/1383286273.db2.gz UNPXMAOUDXTHCS-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN Cn1c(=O)oc2ccc(CSCc3ccc([N+](=O)[O-])cc3)cc21 ZINC001165925323 1383365830 /nfs/dbraw/zinc/36/58/30/1383365830.db2.gz GSGMUWQHSMWFMS-UHFFFAOYSA-N 0 0 330.365 3.473 10 5 EGBERN O=[N+]([O-])c1cccc(OCCOc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001166320633 1383411570 /nfs/dbraw/zinc/41/15/70/1383411570.db2.gz FMYDXQCXQZUYGZ-UHFFFAOYSA-N 0 0 340.238 3.239 10 5 EGBERN O=Cc1ncc(Br)cc1OCc1ccccc1[N+](=O)[O-] ZINC001166919356 1383500265 /nfs/dbraw/zinc/50/02/65/1383500265.db2.gz WRFGEPYZGDRKGE-UHFFFAOYSA-N 0 0 337.129 3.144 10 5 EGBERN CC(C)(C)OC(=O)c1ccnc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001167239079 1383572676 /nfs/dbraw/zinc/57/26/76/1383572676.db2.gz UBOBKQWVIRQCGK-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001299825558 1383630738 /nfs/dbraw/zinc/63/07/38/1383630738.db2.gz YUOPNYMXQXAOOL-DOMZBBRYSA-N 0 0 331.416 3.465 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)cc1O ZINC001299931807 1383635355 /nfs/dbraw/zinc/63/53/55/1383635355.db2.gz GZNDGQLJJRHTJX-UHFFFAOYSA-N 0 0 342.685 3.162 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC001299948700 1383637565 /nfs/dbraw/zinc/63/75/65/1383637565.db2.gz ZDUKWCWNCJBTOK-GFCCVEGCSA-N 0 0 348.384 3.144 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001300542691 1383669601 /nfs/dbraw/zinc/66/96/01/1383669601.db2.gz GDSUFDOJBRBMMW-IRXDYDNUSA-N 0 0 349.346 3.179 10 5 EGBERN COc1c(C)cc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001301031896 1383690911 /nfs/dbraw/zinc/69/09/11/1383690911.db2.gz OUCJWZOSWVTGKL-UHFFFAOYSA-N 0 0 335.747 3.400 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC001301243607 1383703508 /nfs/dbraw/zinc/70/35/08/1383703508.db2.gz TZVBGACUAGFWFB-NUEKZKHPSA-N 0 0 346.745 3.455 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NC)C(=O)c1ccccc1 ZINC001302926566 1383773728 /nfs/dbraw/zinc/77/37/28/1383773728.db2.gz MQHBVWPRUSFWSV-OAHLLOKOSA-N 0 0 341.367 3.028 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001302996362 1383777622 /nfs/dbraw/zinc/77/76/22/1383777622.db2.gz MCILFHZSLJVZTN-MLGOLLRUSA-N 0 0 347.321 3.072 10 5 EGBERN Cc1nccc2c(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cccc12 ZINC001303469269 1383800413 /nfs/dbraw/zinc/80/04/13/1383800413.db2.gz XEYWZNLZBVKGAE-UHFFFAOYSA-N 0 0 340.314 3.425 10 5 EGBERN O=C(Nc1c[nH]c2ccccc12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001304096562 1383829466 /nfs/dbraw/zinc/82/94/66/1383829466.db2.gz MLHVTBJYVONPJB-UHFFFAOYSA-N 0 0 325.280 3.057 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC001306858358 1383911194 /nfs/dbraw/zinc/91/11/94/1383911194.db2.gz DMPRSOXDALIVJL-DZGCQCFKSA-N 0 0 346.770 3.196 10 5 EGBERN CCc1ccc(C)nc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001306876364 1383914680 /nfs/dbraw/zinc/91/46/80/1383914680.db2.gz XVLUEGKQKRGROI-UHFFFAOYSA-N 0 0 343.368 3.118 10 5 EGBERN Cc1cc(NCCNC(=O)c2c(F)cccc2F)c([N+](=O)[O-])s1 ZINC001306969893 1383928005 /nfs/dbraw/zinc/92/80/05/1383928005.db2.gz YGESDIMBXBKYDY-UHFFFAOYSA-N 0 0 341.339 3.085 10 5 EGBERN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1nc(C2CC2)no1 ZINC001168519928 1383928908 /nfs/dbraw/zinc/92/89/08/1383928908.db2.gz PKZPJOQDXQTIPR-AWEZNQCLSA-N 0 0 334.351 3.481 10 5 EGBERN CC(C)[C@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001307097480 1383939984 /nfs/dbraw/zinc/93/99/84/1383939984.db2.gz YWKYZGKXOGQRFZ-ZDUSSCGKSA-N 0 0 329.400 3.319 10 5 EGBERN CSc1nnc(CNc2ccc3cnccc3c2[N+](=O)[O-])s1 ZINC001307099161 1383940492 /nfs/dbraw/zinc/94/04/92/1383940492.db2.gz VWMAYBNVVKCEPA-UHFFFAOYSA-N 0 0 333.398 3.329 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCc2nc3ccccc3o2)cc1F ZINC001307132146 1383943005 /nfs/dbraw/zinc/94/30/05/1383943005.db2.gz QAISORXAPGKPMG-UHFFFAOYSA-N 0 0 331.303 3.022 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](CC(C)C)OC)c2c1 ZINC001307145361 1383944811 /nfs/dbraw/zinc/94/48/11/1383944811.db2.gz IUXBISMECMTIAI-CYBMUJFWSA-N 0 0 333.388 3.047 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@@H](CO)c2ccc(F)cc2)c(F)c1 ZINC001307143012 1383944940 /nfs/dbraw/zinc/94/49/40/1383944940.db2.gz VOSJYHVXJMINIL-JTQLQIEISA-N 0 0 326.274 3.200 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC=C(c4ccccn4)C3)c21 ZINC001307157791 1383947607 /nfs/dbraw/zinc/94/76/07/1383947607.db2.gz YTULUVODSPPNIL-UHFFFAOYSA-N 0 0 333.351 3.227 10 5 EGBERN CN(Cc1ccns1)c1c(Br)cccc1[N+](=O)[O-] ZINC001307161679 1383948176 /nfs/dbraw/zinc/94/81/76/1383948176.db2.gz OMCBAEIVYIDKJO-UHFFFAOYSA-N 0 0 328.191 3.450 10 5 EGBERN CC(C)(C)c1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])c(=O)[nH]1 ZINC001307185559 1383952286 /nfs/dbraw/zinc/95/22/86/1383952286.db2.gz XANPESYCNRIJND-UHFFFAOYSA-N 0 0 341.371 3.253 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCc2noc3ccc(F)cc23)s1 ZINC001307189632 1383953394 /nfs/dbraw/zinc/95/33/94/1383953394.db2.gz LFHIMIDEVBXPHZ-UHFFFAOYSA-N 0 0 345.315 3.492 10 5 EGBERN CN(C)[C@H](CCNc1nc2ccccc2cc1[N+](=O)[O-])C(F)(F)F ZINC001307205308 1383956221 /nfs/dbraw/zinc/95/62/21/1383956221.db2.gz HDFZLAJYMLXVKV-CYBMUJFWSA-N 0 0 342.321 3.438 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H]2CCC[C@]3(CCOC3)O2)c(Cl)c1 ZINC001307258206 1383964766 /nfs/dbraw/zinc/96/47/66/1383964766.db2.gz ZVQIDPZTSHSUQG-SWLSCSKDSA-N 0 0 327.764 3.355 10 5 EGBERN COc1cc(COc2c(Br)cccc2[N+](=O)[O-])sn1 ZINC001307315072 1383970006 /nfs/dbraw/zinc/97/00/06/1383970006.db2.gz GZAJGCMSALBARG-UHFFFAOYSA-N 0 0 345.174 3.401 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cccnc1[N+](=O)[O-] ZINC001307320679 1383971084 /nfs/dbraw/zinc/97/10/84/1383971084.db2.gz AVQSWUNLHJXXSZ-UHFFFAOYSA-N 0 0 343.217 3.496 10 5 EGBERN COc1ccc(NC(=O)COc2ccsc2[N+](=O)[O-])cc1Cl ZINC001307346074 1383974202 /nfs/dbraw/zinc/97/42/02/1383974202.db2.gz SURHSHKUNOUWAR-UHFFFAOYSA-N 0 0 342.760 3.336 10 5 EGBERN COc1ccc(COc2ccc([N+](=O)[O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001307346294 1383974242 /nfs/dbraw/zinc/97/42/42/1383974242.db2.gz ZCRCJBBXBLCURY-UHFFFAOYSA-N 0 0 340.238 3.369 10 5 EGBERN O=c1c2c(Cl)cccc2ncn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307411157 1383986033 /nfs/dbraw/zinc/98/60/33/1383986033.db2.gz ZOVRSIAQRNTXET-UHFFFAOYSA-N 0 0 333.706 3.146 10 5 EGBERN CN(CCOc1cccc([N+](=O)[O-])c1)CC(F)(F)C(F)(F)F ZINC001168910811 1384055900 /nfs/dbraw/zinc/05/59/00/1384055900.db2.gz HAQBCDNLFHPLFY-UHFFFAOYSA-N 0 0 328.237 3.103 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccn2)CC1 ZINC001335665854 1388896292 /nfs/dbraw/zinc/89/62/92/1388896292.db2.gz GTAYUKNISJOMGC-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN C/C=C/C[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975173 1384067250 /nfs/dbraw/zinc/06/72/50/1384067250.db2.gz VCHBTFUJRMYVMX-XGACYXMMSA-N 0 0 347.415 3.220 10 5 EGBERN CON(Cc1ccc(C)o1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308092543 1384090082 /nfs/dbraw/zinc/09/00/82/1384090082.db2.gz LKDDAGLWBONCOQ-UHFFFAOYSA-N 0 0 344.327 3.110 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(F)(F)CC[C@H]1C ZINC001308154496 1384101679 /nfs/dbraw/zinc/10/16/79/1384101679.db2.gz SCTRMCCGXAVUQI-GFCCVEGCSA-N 0 0 341.358 3.351 10 5 EGBERN COc1cc(CN2CCO[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001308168648 1384104790 /nfs/dbraw/zinc/10/47/90/1384104790.db2.gz MJVZCCUVSUYZDJ-INIZCTEOSA-N 0 0 340.395 3.380 10 5 EGBERN CC[C@@H](NC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313381 1384339003 /nfs/dbraw/zinc/33/90/03/1384339003.db2.gz ONUFAXHSANKTPP-LTVHRWTQSA-N 0 0 335.404 3.157 10 5 EGBERN CC1(C)C(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1(C)C ZINC001312564843 1384357852 /nfs/dbraw/zinc/35/78/52/1384357852.db2.gz NEMBKZTUXTXRIQ-UHFFFAOYSA-N 0 0 347.415 3.050 10 5 EGBERN CC(C)(CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001312824885 1384374514 /nfs/dbraw/zinc/37/45/14/1384374514.db2.gz SXVBCUDKORNIJP-UHFFFAOYSA-N 0 0 346.431 3.442 10 5 EGBERN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170862124 1384400968 /nfs/dbraw/zinc/40/09/68/1384400968.db2.gz QHZZWDVDAHNMBG-HOTGVXAUSA-N 0 0 344.415 3.006 10 5 EGBERN C[C@H](CNC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001313353437 1384412376 /nfs/dbraw/zinc/41/23/76/1384412376.db2.gz VEESIAPXINBUDO-GFCCVEGCSA-N 0 0 347.346 3.438 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2C)C1 ZINC001329007553 1388926723 /nfs/dbraw/zinc/92/67/23/1388926723.db2.gz BTPOLPROXZSYPR-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN CCN(CCn1cc([N+](=O)[O-])ccc1=O)c1cccc2ccccc21 ZINC001171942089 1384690217 /nfs/dbraw/zinc/69/02/17/1384690217.db2.gz GKAGLOGABHUQBM-UHFFFAOYSA-N 0 0 337.379 3.436 10 5 EGBERN C[C@H]1CCC[C@H](C2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001174820261 1385155025 /nfs/dbraw/zinc/15/50/25/1385155025.db2.gz KEOXADPNVCKZTB-RYUDHWBXSA-N 0 0 342.399 3.369 10 5 EGBERN Cc1c(CN(C)CC(=O)NCCC2=CCCCC2)cccc1[N+](=O)[O-] ZINC001176421706 1385582681 /nfs/dbraw/zinc/58/26/81/1385582681.db2.gz HECPJKPZVRUUFA-UHFFFAOYSA-N 0 0 345.443 3.342 10 5 EGBERN COc1ccc(OCCN2CC(F)(F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001176891393 1385735461 /nfs/dbraw/zinc/73/54/61/1385735461.db2.gz FVHUSMCLVLHLCG-LLVKDONJSA-N 0 0 330.331 3.102 10 5 EGBERN CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001177252176 1385885370 /nfs/dbraw/zinc/88/53/70/1385885370.db2.gz MHRVEJJTEKXLQO-GOEBONIOSA-N 0 0 348.786 3.490 10 5 EGBERN CCCC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC001319888667 1386365096 /nfs/dbraw/zinc/36/50/96/1386365096.db2.gz NMYWVCRIPOZSIP-UHFFFAOYSA-N 0 0 334.401 3.252 10 5 EGBERN Cc1ccc(NC(=O)C(C)(C)Cc2ccc(O)cc2)c(N)c1[N+](=O)[O-] ZINC001179879012 1386616156 /nfs/dbraw/zinc/61/61/56/1386616156.db2.gz HNSZQCNHRWEDGW-UHFFFAOYSA-N 0 0 343.383 3.398 10 5 EGBERN CCCC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001321025945 1386787137 /nfs/dbraw/zinc/78/71/37/1386787137.db2.gz SXLNLFSQQMHNTK-UHFFFAOYSA-N 0 0 345.403 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccco2)nn1C ZINC001321029023 1386788221 /nfs/dbraw/zinc/78/82/21/1386788221.db2.gz DMTKNFAEQAHION-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cncc(C(F)(F)F)c1 ZINC001181192795 1386956004 /nfs/dbraw/zinc/95/60/04/1386956004.db2.gz MBURDBKOSJFCKX-UHFFFAOYSA-N 0 0 343.236 3.329 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC001181256517 1386967692 /nfs/dbraw/zinc/96/76/92/1386967692.db2.gz WCFYIJCNFYOIAG-UHFFFAOYSA-N 0 0 332.360 3.266 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NN2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001181814787 1387059744 /nfs/dbraw/zinc/05/97/44/1387059744.db2.gz VTLDNKCMVWYDAY-KBPBESRZSA-N 0 0 331.416 3.269 10 5 EGBERN C[C@H](Oc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001322341986 1387164143 /nfs/dbraw/zinc/16/41/43/1387164143.db2.gz UPBBLGKPMMIJBP-VIFPVBQESA-N 0 0 330.275 3.319 10 5 EGBERN COc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cnc3C)o2)cc1OC ZINC001322827684 1387243425 /nfs/dbraw/zinc/24/34/25/1387243425.db2.gz LHDVOPTXJVSVHU-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001336939239 1389215655 /nfs/dbraw/zinc/21/56/55/1389215655.db2.gz GWCHMPVXJYLCJT-ZDUSSCGKSA-N 0 0 345.786 3.187 10 5 EGBERN CCC[C@H](C)[C@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330060111 1389296869 /nfs/dbraw/zinc/29/68/69/1389296869.db2.gz QSADFMDASQMVMC-ZANVPECISA-N 0 0 338.795 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CC3(CC3(F)F)C2)c1F ZINC001331262146 1389674857 /nfs/dbraw/zinc/67/48/57/1389674857.db2.gz BFANQWUJRGSFLB-UHFFFAOYSA-N 0 0 332.253 3.099 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001331448534 1389752656 /nfs/dbraw/zinc/75/26/56/1389752656.db2.gz HUGORHBEAKJNKP-HRDYMLBCSA-N 0 0 330.718 3.412 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC001331587714 1389815822 /nfs/dbraw/zinc/81/58/22/1389815822.db2.gz JOVJLXMJWPADQY-SWLSCSKDSA-N 0 0 328.368 3.388 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001331908697 1389905911 /nfs/dbraw/zinc/90/59/11/1389905911.db2.gz ZUNUIQPPYJHXKM-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN O=C(CCc1ccc2c(c1)CCO2)OCc1csc([N+](=O)[O-])c1 ZINC001340230739 1390254788 /nfs/dbraw/zinc/25/47/88/1390254788.db2.gz VZPQDGWMCBQPSQ-UHFFFAOYSA-N 0 0 333.365 3.267 10 5 EGBERN CO[C@@H](COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC001333182454 1390263463 /nfs/dbraw/zinc/26/34/63/1390263463.db2.gz PZLRDURBDVJYDP-AWEZNQCLSA-N 0 0 329.299 3.235 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001333741943 1390389758 /nfs/dbraw/zinc/38/97/58/1390389758.db2.gz RUWNHBXCRQKLAM-IYBDPMFKSA-N 0 0 348.790 3.054 10 5 EGBERN C[C@H](NC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC001334853936 1390606035 /nfs/dbraw/zinc/60/60/35/1390606035.db2.gz BDMIFCBFYQGEOH-BIMULSAOSA-N 0 0 346.305 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc([C@H]2COc3ccccc3O2)o1 ZINC001344408116 1390789484 /nfs/dbraw/zinc/78/94/84/1390789484.db2.gz QFDMJVFWNGDPQA-OAHLLOKOSA-N 0 0 339.307 3.466 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[C@]12CCOC2 ZINC001345163847 1390842739 /nfs/dbraw/zinc/84/27/39/1390842739.db2.gz XGNLQDNGFJVZQE-ZBEGNZNMSA-N 0 0 337.397 3.290 10 5 EGBERN O=C(OCCCc1cncs1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345220818 1390849610 /nfs/dbraw/zinc/84/96/10/1390849610.db2.gz TZKAZJCANLQQBL-LSDHHAIUSA-N 0 0 332.381 3.331 10 5 EGBERN COc1ccc(NC(=O)N2CC(F)(F)CC[C@H]2C)cc1[N+](=O)[O-] ZINC001345273934 1390852912 /nfs/dbraw/zinc/85/29/12/1390852912.db2.gz GUUDJPCNTNAYCZ-SECBINFHSA-N 0 0 329.303 3.255 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)CCCOC1 ZINC001345696861 1390877528 /nfs/dbraw/zinc/87/75/28/1390877528.db2.gz SJQCMMNGOPDDSJ-HNNXBMFYSA-N 0 0 325.386 3.290 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])O[C@@H]1CCCc2nccnc21 ZINC001345819681 1390886739 /nfs/dbraw/zinc/88/67/39/1390886739.db2.gz GRILNUHBNDVTLK-OAHLLOKOSA-N 0 0 345.330 3.077 10 5 EGBERN Cc1c(NC(=O)[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001346230974 1390916926 /nfs/dbraw/zinc/91/69/26/1390916926.db2.gz SGXPYCBBWNJCGJ-HNNXBMFYSA-N 0 0 328.368 3.398 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001346428364 1390936510 /nfs/dbraw/zinc/93/65/10/1390936510.db2.gz WOXJYPAKTQQRRY-SJORKVTESA-N 0 0 347.415 3.146 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001346500795 1390947014 /nfs/dbraw/zinc/94/70/14/1390947014.db2.gz NVLPONPCDXZWDM-ZFWWWQNUSA-N 0 0 337.351 3.299 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[C@H]1c1ccsc1 ZINC001346707517 1390972464 /nfs/dbraw/zinc/97/24/64/1390972464.db2.gz SOEHOQLNLDENOY-WDEREUQCSA-N 0 0 347.348 3.137 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001346817677 1390980385 /nfs/dbraw/zinc/98/03/85/1390980385.db2.gz CMOUGBJHEGGMOZ-JOYOIKCWSA-N 0 0 347.289 3.472 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCCc1scnc1C ZINC001348025947 1391161915 /nfs/dbraw/zinc/16/19/15/1391161915.db2.gz SFWFMPANHKQYRL-UHFFFAOYSA-N 0 0 336.369 3.158 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001348253613 1391192378 /nfs/dbraw/zinc/19/23/78/1391192378.db2.gz FYGYWMHULNUELL-HIFRSBDPSA-N 0 0 338.791 3.422 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001348447443 1391221029 /nfs/dbraw/zinc/22/10/29/1391221029.db2.gz HZEVICYJUFBWTP-CYBMUJFWSA-N 0 0 347.371 3.147 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccc(OC(C)C)cc2)n1 ZINC001348953635 1391288997 /nfs/dbraw/zinc/28/89/97/1391288997.db2.gz GQRDMPBPRDHZHP-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(Cl)ncc1F ZINC001349030322 1391297455 /nfs/dbraw/zinc/29/74/55/1391297455.db2.gz VMMZCFIYIVGOJC-UHFFFAOYSA-N 0 0 326.667 3.010 10 5 EGBERN CSc1cccc(C(=O)OC[C@@]23CCC[C@@H]2OCC3)c1[N+](=O)[O-] ZINC001349675049 1391351754 /nfs/dbraw/zinc/35/17/54/1391351754.db2.gz BMUGALSMIBANLK-BBRMVZONSA-N 0 0 337.397 3.433 10 5 EGBERN O=C(OCc1c(F)cncc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349770625 1391364834 /nfs/dbraw/zinc/36/48/34/1391364834.db2.gz XJPQXPMGOWSEOF-VXGBXAGGSA-N 0 0 334.278 3.115 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)cc2)n1 ZINC001349834368 1391373766 /nfs/dbraw/zinc/37/37/66/1391373766.db2.gz FLYHARAMBIXMTH-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COc1ccc(CC(=O)Oc2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC001350020084 1391398885 /nfs/dbraw/zinc/39/88/85/1391398885.db2.gz IIALKORTLRYPDU-UHFFFAOYSA-N 0 0 331.324 3.069 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001350450388 1391466328 /nfs/dbraw/zinc/46/63/28/1391466328.db2.gz ASOGYOIBPWBYNN-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001350477491 1391468824 /nfs/dbraw/zinc/46/88/24/1391468824.db2.gz HGZRFACLTLKLRT-UHFFFAOYSA-N 0 0 329.308 3.217 10 5 EGBERN O=C(NCc1cccs1)c1c(Br)cccc1[N+](=O)[O-] ZINC001350583674 1391484138 /nfs/dbraw/zinc/48/41/38/1391484138.db2.gz ORJMIMHPNVZYOD-UHFFFAOYSA-N 0 0 341.186 3.349 10 5 EGBERN COc1cccc(C(F)(F)C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001350628678 1391493876 /nfs/dbraw/zinc/49/38/76/1391493876.db2.gz KODGFCJNBHKRCC-UHFFFAOYSA-N 0 0 336.294 3.012 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001351335788 1391628441 /nfs/dbraw/zinc/62/84/41/1391628441.db2.gz GZUJGAOZFQWHQW-LSDHHAIUSA-N 0 0 327.296 3.245 10 5 EGBERN COc1ccn2c(c1)ncc2C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001351335431 1391628509 /nfs/dbraw/zinc/62/85/09/1391628509.db2.gz CLICELGUIZBOLL-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN Cc1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC001351380261 1391633927 /nfs/dbraw/zinc/63/39/27/1391633927.db2.gz VTFBLHCNRSJGMY-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc3ccccc3s2)n1 ZINC001351843700 1391700116 /nfs/dbraw/zinc/70/01/16/1391700116.db2.gz TWFRAYARJKFUFD-UHFFFAOYSA-N 0 0 329.337 3.265 10 5 EGBERN COC(=O)c1ccc(F)c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001351954142 1391723753 /nfs/dbraw/zinc/72/37/53/1391723753.db2.gz SPXXTZRRJLQQOI-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC001352095113 1391758297 /nfs/dbraw/zinc/75/82/97/1391758297.db2.gz IILSHCFPMPKKOG-ZDUSSCGKSA-N 0 0 346.408 3.044 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001352704606 1391835085 /nfs/dbraw/zinc/83/50/85/1391835085.db2.gz SQCHGYFLNZPPFY-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(-c3cnn(C)c3)o2)cc1[N+](=O)[O-] ZINC001352704595 1391835268 /nfs/dbraw/zinc/83/52/68/1391835268.db2.gz SKZLPJAMASXYQA-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC001352703907 1391835287 /nfs/dbraw/zinc/83/52/87/1391835287.db2.gz PJNMHNPFYWVJOF-GOSISDBHSA-N 0 0 340.335 3.014 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2ccc(F)cc21 ZINC001353146054 1391944226 /nfs/dbraw/zinc/94/42/26/1391944226.db2.gz AQCCFISJFIWEFC-OAHLLOKOSA-N 0 0 332.306 3.219 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(OC(C)C)cc2)n1 ZINC001353279914 1391982277 /nfs/dbraw/zinc/98/22/77/1391982277.db2.gz GJMJIOVRUJQQJF-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC001353406255 1392004897 /nfs/dbraw/zinc/00/48/97/1392004897.db2.gz PBWDWGOYOHCDNB-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CCCCOC(=O)c1ccc(OC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001353627927 1392054200 /nfs/dbraw/zinc/05/42/00/1392054200.db2.gz LXMYYOIEXHJGBB-UHFFFAOYSA-N 0 0 337.372 3.384 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)c1 ZINC001354079427 1392119206 /nfs/dbraw/zinc/11/92/06/1392119206.db2.gz QLDYVAJAKCIDRQ-UHFFFAOYSA-N 0 0 329.308 3.217 10 5 EGBERN COc1ccc2c(c1)OCC(C(=O)Oc1cc([N+](=O)[O-])ccc1C)=C2 ZINC001354079716 1392119258 /nfs/dbraw/zinc/11/92/58/1392119258.db2.gz RTPCGZQHADATNO-UHFFFAOYSA-N 0 0 341.319 3.293 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2sccc2c1 ZINC001354085296 1392119670 /nfs/dbraw/zinc/11/96/70/1392119670.db2.gz CYACCQPDQMXCRA-UHFFFAOYSA-N 0 0 330.369 3.343 10 5 EGBERN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001354463309 1392145738 /nfs/dbraw/zinc/14/57/38/1392145738.db2.gz QCFSIECQNAMMLR-ZIAGYGMSSA-N 0 0 342.399 3.082 10 5 EGBERN O=C(Nc1cccc(-n2ccnc2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001354541210 1392151561 /nfs/dbraw/zinc/15/15/61/1392151561.db2.gz DIRWABMJXLSJCG-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN CN(Cc1ccccn1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001354700932 1392162487 /nfs/dbraw/zinc/16/24/87/1392162487.db2.gz OBAOKGPOEFGRND-UHFFFAOYSA-N 0 0 333.775 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=c2sc3ccccc3n2C)c1F ZINC001354820697 1392170851 /nfs/dbraw/zinc/17/08/51/1392170851.db2.gz HWHJRLMULISZSU-UHFFFAOYSA-N 0 0 345.355 3.337 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001355064720 1392190410 /nfs/dbraw/zinc/19/04/10/1392190410.db2.gz DAELPXQXSMKBJK-KRWDZBQOSA-N 0 0 339.351 3.343 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C ZINC001355119592 1392194830 /nfs/dbraw/zinc/19/48/30/1392194830.db2.gz GRGURVNBQMBFQU-UHFFFAOYSA-N 0 0 330.296 3.477 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C)[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687491886 1396393227 /nfs/dbraw/zinc/39/32/27/1396393227.db2.gz HCXVZYDECQVERQ-PBFPGSCMSA-N 0 0 343.383 3.077 10 5 EGBERN CCC(CC)CC(=O)NCC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001494605718 1396484966 /nfs/dbraw/zinc/48/49/66/1396484966.db2.gz BOWVZZIAAVVPDS-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CN(CCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690936854 1404845170 /nfs/dbraw/zinc/84/51/70/1404845170.db2.gz RQNXHNAOZLJOLL-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC1(C)CC1 ZINC001694642948 1406057661 /nfs/dbraw/zinc/05/76/61/1406057661.db2.gz YNYFNHROKAVUBJ-UHFFFAOYSA-N 0 0 343.431 3.228 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@H]1C)C1CC1 ZINC001709937275 1417457265 /nfs/dbraw/zinc/45/72/65/1417457265.db2.gz KJKRRSSSVGNOSP-TZMCWYRMSA-N 0 0 341.415 3.498 10 5 EGBERN CCC(C)(C)CC(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001715841707 1420364451 /nfs/dbraw/zinc/36/44/51/1420364451.db2.gz PAECPVBCHBPGSV-UHFFFAOYSA-N 0 0 335.448 3.311 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2CF)C1 ZINC001743137741 1439544820 /nfs/dbraw/zinc/54/48/20/1439544820.db2.gz PMMAVLGGFNZXBY-CORIIIEPSA-N 0 0 345.378 3.230 10 5 EGBERN CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001745676632 1439810057 /nfs/dbraw/zinc/81/00/57/1439810057.db2.gz BGIRLUJGLJFYDI-OAHLLOKOSA-N 0 0 345.403 3.084 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC1(C)CC1 ZINC001751880775 1440125051 /nfs/dbraw/zinc/12/50/51/1440125051.db2.gz CPELSYGWMDWMQV-UHFFFAOYSA-N 0 0 329.404 3.321 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCC1CC1 ZINC001764733178 1441391679 /nfs/dbraw/zinc/39/16/79/1441391679.db2.gz LEOWNPZSEWDPGL-UHFFFAOYSA-N 0 0 343.431 3.228 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000368530031 168368752 /nfs/dbraw/zinc/36/87/52/168368752.db2.gz HWEHAVDNSAYZQH-JSGCOSHPSA-N 0 0 343.383 3.361 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(Cl)c1 ZINC000173543066 536635439 /nfs/dbraw/zinc/63/54/39/536635439.db2.gz QIPLEGGHFSRPEH-OAHLLOKOSA-N 0 0 349.774 3.069 10 5 EGBERN Cc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000012403325 201845127 /nfs/dbraw/zinc/84/51/27/201845127.db2.gz VWVINFPTZHNLSF-UHFFFAOYSA-N 0 0 329.381 3.338 10 5 EGBERN Cc1ccc(C)c(OC[C@H](O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000012793074 201867486 /nfs/dbraw/zinc/86/74/86/201867486.db2.gz LYSIHGVACQDRSC-MRXNPFEDSA-N 0 0 341.367 3.001 10 5 EGBERN COC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1F ZINC000013005037 201881290 /nfs/dbraw/zinc/88/12/90/201881290.db2.gz QVGXAELIXMAHFG-VMPITWQZSA-N 0 0 344.298 3.172 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)n1 ZINC000373046152 282683669 /nfs/dbraw/zinc/68/36/69/282683669.db2.gz UXUWPNDLAMDPCZ-HNNXBMFYSA-N 0 0 348.362 3.121 10 5 EGBERN CNC(=O)c1ccc(Cl)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000037562953 202006687 /nfs/dbraw/zinc/00/66/87/202006687.db2.gz UNRXJINUTXWBDH-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN COc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)c1 ZINC000025803842 202136331 /nfs/dbraw/zinc/13/63/31/202136331.db2.gz FQFKRKPOFIPNTI-UHFFFAOYSA-N 0 0 346.339 3.010 10 5 EGBERN CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)cc1F ZINC000106066206 219609912 /nfs/dbraw/zinc/60/99/12/219609912.db2.gz FKPUGZFKTVHYHK-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000358935258 283277697 /nfs/dbraw/zinc/27/76/97/283277697.db2.gz RHOQDYLAFCXUIJ-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN CN(Cc1ccccc1)C(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000032747455 202231701 /nfs/dbraw/zinc/23/17/01/202231701.db2.gz ZKSSFFNDUQXJLE-UHFFFAOYSA-N 0 0 327.384 3.446 10 5 EGBERN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NC1CCCCC1 ZINC000032777291 202234008 /nfs/dbraw/zinc/23/40/08/202234008.db2.gz AISOCIAAMCRZLE-UHFFFAOYSA-N 0 0 335.385 3.277 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353268525 241784895 /nfs/dbraw/zinc/78/48/95/241784895.db2.gz RLGORJCWYFTSCJ-UHFFFAOYSA-N 0 0 327.340 3.362 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](NCc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000351685107 241758736 /nfs/dbraw/zinc/75/87/36/241758736.db2.gz CHJNFLZUUXLZOR-GFCCVEGCSA-N 0 0 348.350 3.400 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC(C2CCOCC2)CC1 ZINC000133602998 223430520 /nfs/dbraw/zinc/43/05/20/223430520.db2.gz ZDSAVGHTAOAZKX-UHFFFAOYSA-N 0 0 334.416 3.384 10 5 EGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000005869737 201665819 /nfs/dbraw/zinc/66/58/19/201665819.db2.gz IYJHCHPYAOCVSZ-STQMWFEESA-N 0 0 326.352 3.340 10 5 EGBERN COc1cccc(NC(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)c1 ZINC000020762167 212170531 /nfs/dbraw/zinc/17/05/31/212170531.db2.gz YFVFSVZBQATOAS-UHFFFAOYSA-N 0 0 325.324 3.197 10 5 EGBERN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1c[nH]c2ccccc12 ZINC000069512273 203012282 /nfs/dbraw/zinc/01/22/82/203012282.db2.gz PIKHCAIZDCHYJC-UHFFFAOYSA-N 0 0 347.334 3.218 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183614 203339812 /nfs/dbraw/zinc/33/98/12/203339812.db2.gz IIVXOHBXDOPXOM-AWEZNQCLSA-N 0 0 349.394 3.430 10 5 EGBERN CCOC[C@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090685849 203619712 /nfs/dbraw/zinc/61/97/12/203619712.db2.gz UGODDUPLXUEWCH-BBRMVZONSA-N 0 0 335.404 3.114 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000105851454 204170181 /nfs/dbraw/zinc/17/01/81/204170181.db2.gz TYVZYZPEGONRBD-AWEZNQCLSA-N 0 0 342.399 3.139 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@@H](c2nccs2)C1 ZINC000110464344 204312729 /nfs/dbraw/zinc/31/27/29/204312729.db2.gz FKPKTJFKHJMGTN-CQSZACIVSA-N 0 0 342.380 3.177 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000125085216 204992526 /nfs/dbraw/zinc/99/25/26/204992526.db2.gz OSNZWGLLXOYESZ-MRXNPFEDSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1sc(C(=O)NCc2ccnc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000157270967 206127672 /nfs/dbraw/zinc/12/76/72/206127672.db2.gz JJTCUCWSQOUGIF-UHFFFAOYSA-N 0 0 335.385 3.077 10 5 EGBERN Cc1noc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000266144075 248128002 /nfs/dbraw/zinc/12/80/02/248128002.db2.gz GBCFJMHOMZJRHE-UHFFFAOYSA-N 0 0 330.344 3.052 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266471856 248318308 /nfs/dbraw/zinc/31/83/08/248318308.db2.gz OBXHPRLNBWQHIV-LLVKDONJSA-N 0 0 331.328 3.362 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1 ZINC000378644778 169152545 /nfs/dbraw/zinc/15/25/45/169152545.db2.gz LUEVYZJFWFCRFM-OAHLLOKOSA-N 0 0 325.368 3.236 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000176683696 207250615 /nfs/dbraw/zinc/25/06/15/207250615.db2.gz PFCAEYGWHKXXQT-XJKSGUPXSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000177356828 207325114 /nfs/dbraw/zinc/32/51/14/207325114.db2.gz HQEAPAXYFVSUQD-CHWSQXEVSA-N 0 0 326.443 3.011 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268619810 252074757 /nfs/dbraw/zinc/07/47/57/252074757.db2.gz BFRDANCHGDTAPK-JKIFEVAISA-N 0 0 346.383 3.073 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375594843 291823863 /nfs/dbraw/zinc/82/38/63/291823863.db2.gz BQARLNWIEZHXEM-GOSISDBHSA-N 0 0 332.400 3.163 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)cc1 ZINC000356032612 285104209 /nfs/dbraw/zinc/10/42/09/285104209.db2.gz JEGIWHZDGJOSIX-UHFFFAOYSA-N 0 0 337.339 3.307 10 5 EGBERN COC(=O)c1cc(NCc2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000097438754 219024998 /nfs/dbraw/zinc/02/49/98/219024998.db2.gz AXXMDPXRXZNDRO-UHFFFAOYSA-N 0 0 328.296 3.333 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC[C@H](C)C(C)=O ZINC000184815529 533220919 /nfs/dbraw/zinc/22/09/19/533220919.db2.gz CGCLWISLUNSGIE-LBPRGKRZSA-N 0 0 336.388 3.005 10 5 EGBERN CC(C)(C)O[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000225423998 258072615 /nfs/dbraw/zinc/07/26/15/258072615.db2.gz BKKJTNWQBCSMIL-AWEZNQCLSA-N 0 0 346.387 3.034 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529012 140786649 /nfs/dbraw/zinc/78/66/49/140786649.db2.gz RWYCVCWXMOVTFD-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000263488126 141052269 /nfs/dbraw/zinc/05/22/69/141052269.db2.gz HWBFBTZEQXBEKE-AWEZNQCLSA-N 0 0 334.397 3.222 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000353005530 141283668 /nfs/dbraw/zinc/28/36/68/141283668.db2.gz MFXRXMBVRAFCLA-UHFFFAOYSA-N 0 0 329.356 3.434 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000353469084 141303536 /nfs/dbraw/zinc/30/35/36/141303536.db2.gz FWBJSMOXKCATNZ-ZDUSSCGKSA-N 0 0 348.428 3.387 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000356824528 141349591 /nfs/dbraw/zinc/34/95/91/141349591.db2.gz CMPWAKVAOPWQDG-VIFPVBQESA-N 0 0 349.265 3.224 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000359647712 141397646 /nfs/dbraw/zinc/39/76/46/141397646.db2.gz HUSMPOOJAFKBMG-JXQTWKCFSA-N 0 0 335.404 3.123 10 5 EGBERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000048804380 142572079 /nfs/dbraw/zinc/57/20/79/142572079.db2.gz JSKWQJIQICWQCD-ZDUSSCGKSA-N 0 0 341.367 3.028 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H](C)CO2)c1 ZINC000359540921 292087966 /nfs/dbraw/zinc/08/79/66/292087966.db2.gz XQKMRHXTAVTPRL-BBRMVZONSA-N 0 0 343.383 3.142 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccn2)CC1 ZINC000171613499 144007402 /nfs/dbraw/zinc/00/74/02/144007402.db2.gz YOMGSRYRVQAZPC-UHFFFAOYSA-N 0 0 339.395 3.014 10 5 EGBERN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000172100097 144015794 /nfs/dbraw/zinc/01/57/94/144015794.db2.gz PBZVQUQAJVBHSD-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173010247 144033630 /nfs/dbraw/zinc/03/36/30/144033630.db2.gz WDAQIPHYQPQMQZ-KSSFIOAISA-N 0 0 340.379 3.126 10 5 EGBERN Cc1ccc(N2CCC(Nc3nc(C)ccc3[N+](=O)[O-])CC2)nc1 ZINC000178236195 144066757 /nfs/dbraw/zinc/06/67/57/144066757.db2.gz MHVHFWQRQDKZAD-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCC[C@@H]2O ZINC000183837468 144080554 /nfs/dbraw/zinc/08/05/54/144080554.db2.gz CMJPOBRASCPHQU-AWEZNQCLSA-N 0 0 329.312 3.055 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000184329060 144091173 /nfs/dbraw/zinc/09/11/73/144091173.db2.gz CFWYWXHVOULQTE-AWEZNQCLSA-N 0 0 343.358 3.163 10 5 EGBERN Cn1cc([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184606681 144095692 /nfs/dbraw/zinc/09/56/92/144095692.db2.gz DVSHFSRMVWXEOR-INIZCTEOSA-N 0 0 346.387 3.408 10 5 EGBERN COc1cccc(NC2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000185181641 144105746 /nfs/dbraw/zinc/10/57/46/144105746.db2.gz YLYSRSAUQYLCCB-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(CC2)c2ccccc21 ZINC000185302414 144110690 /nfs/dbraw/zinc/11/06/90/144110690.db2.gz WWNLOFFMOXWMBZ-CYBMUJFWSA-N 0 0 337.379 3.474 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1[N+](=O)[O-] ZINC000187095635 144152258 /nfs/dbraw/zinc/15/22/58/144152258.db2.gz DMUPUAQGPKBULT-ZDUSSCGKSA-N 0 0 347.396 3.346 10 5 EGBERN Cc1nc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cs1 ZINC000344744766 144219254 /nfs/dbraw/zinc/21/92/54/144219254.db2.gz SOEXXYRNRXHQCT-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000351605506 144286860 /nfs/dbraw/zinc/28/68/60/144286860.db2.gz NXMBVYNURIRMPY-MRXNPFEDSA-N 0 0 337.351 3.158 10 5 EGBERN CO[C@@H]1CCC[C@@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1 ZINC000361571483 144329721 /nfs/dbraw/zinc/32/97/21/144329721.db2.gz LQLRSLGZNCDSGF-XJKCOSOUSA-N 0 0 332.400 3.468 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000364005677 144383515 /nfs/dbraw/zinc/38/35/15/144383515.db2.gz CBAACDKIGNQYEG-GOSISDBHSA-N 0 0 326.352 3.104 10 5 EGBERN COc1cc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000367373379 286228908 /nfs/dbraw/zinc/22/89/08/286228908.db2.gz XLTLNDPEYPZWLK-QWHCGFSZSA-N 0 0 338.379 3.386 10 5 EGBERN Cc1ncc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000341527293 155337181 /nfs/dbraw/zinc/33/71/81/155337181.db2.gz JIFGDRFVLOPUPY-UHFFFAOYSA-N 0 0 344.396 3.301 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000118264336 152133371 /nfs/dbraw/zinc/13/33/71/152133371.db2.gz FKCRIYNGRLZWSP-UHFFFAOYSA-N 0 0 347.758 3.483 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000120360333 152270526 /nfs/dbraw/zinc/27/05/26/152270526.db2.gz ABXHXPOFAOBKLP-SKDRFNHKSA-N 0 0 348.305 3.168 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121161557 152329024 /nfs/dbraw/zinc/32/90/24/152329024.db2.gz IQFJEOAQKFLMEV-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)c1c(F)cccc1F ZINC000153823600 152558485 /nfs/dbraw/zinc/55/84/85/152558485.db2.gz WDBZTLVJAOLZAS-NSHDSACASA-N 0 0 329.690 3.067 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190269022 153125557 /nfs/dbraw/zinc/12/55/57/153125557.db2.gz QMVWGJIOUGABPY-SNVBAGLBSA-N 0 0 336.294 3.486 10 5 EGBERN CCCc1n[nH]c(C(=O)NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000191318232 153186983 /nfs/dbraw/zinc/18/69/83/153186983.db2.gz LGWDABFZFYTJIU-UHFFFAOYSA-N 0 0 328.372 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193243979 153282692 /nfs/dbraw/zinc/28/26/92/153282692.db2.gz NYBOTHZOWLUXNN-SECBINFHSA-N 0 0 347.293 3.410 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000194862921 153363134 /nfs/dbraw/zinc/36/31/34/153363134.db2.gz OMKCLCFITYRYFU-NHYWBVRUSA-N 0 0 344.392 3.325 10 5 EGBERN Cc1cnc([C@H](C)Nc2ncc(Br)cc2[N+](=O)[O-])o1 ZINC000226546851 153429325 /nfs/dbraw/zinc/42/93/25/153429325.db2.gz MYVPGLNXKBTGSI-ZETCQYMHSA-N 0 0 327.138 3.222 10 5 EGBERN CCSCCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000336985460 154255160 /nfs/dbraw/zinc/25/51/60/154255160.db2.gz HAYTYGIQHUXPCM-AWEZNQCLSA-N 0 0 325.434 3.488 10 5 EGBERN CCSCCCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000336985461 154255214 /nfs/dbraw/zinc/25/52/14/154255214.db2.gz HAYTYGIQHUXPCM-CQSZACIVSA-N 0 0 325.434 3.488 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000340092163 155096558 /nfs/dbraw/zinc/09/65/58/155096558.db2.gz BMMVYBJHCDIWKB-CYBMUJFWSA-N 0 0 345.399 3.359 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)s1 ZINC000342912278 155574663 /nfs/dbraw/zinc/57/46/63/155574663.db2.gz BPSQXPQWXQKNRH-UHFFFAOYSA-N 0 0 344.396 3.156 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](COC)Cc1ccccc1 ZINC000349078297 156345195 /nfs/dbraw/zinc/34/51/95/156345195.db2.gz GWYFGHRNBXXVAA-GOSISDBHSA-N 0 0 342.395 3.315 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000352770955 156477163 /nfs/dbraw/zinc/47/71/63/156477163.db2.gz ONIOPEAIRROLOQ-SECBINFHSA-N 0 0 327.340 3.360 10 5 EGBERN Cc1ncsc1-c1nc(COc2nc(C)cc(C)c2[N+](=O)[O-])no1 ZINC000354536224 156567682 /nfs/dbraw/zinc/56/76/82/156567682.db2.gz ACFLIGDYJRSARZ-UHFFFAOYSA-N 0 0 347.356 3.001 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000183168539 292350159 /nfs/dbraw/zinc/35/01/59/292350159.db2.gz CCZFZCFDTYVTIC-GTNSWQLSSA-N 0 0 325.368 3.149 10 5 EGBERN Nc1cc(Br)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000094042353 162038471 /nfs/dbraw/zinc/03/84/71/162038471.db2.gz RJYAWRMNPIGJGJ-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114511358 162235899 /nfs/dbraw/zinc/23/58/99/162235899.db2.gz VUQGIKAIZUJQJG-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN CC[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000126881389 162317187 /nfs/dbraw/zinc/31/71/87/162317187.db2.gz SENYILFFZLZDTK-MRXNPFEDSA-N 0 0 338.367 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000129676396 162362666 /nfs/dbraw/zinc/36/26/66/162362666.db2.gz UNZATYXOLMDQDI-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN Cc1c([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967892 162385705 /nfs/dbraw/zinc/38/57/05/162385705.db2.gz FPVVQANBXOYOOL-QWHCGFSZSA-N 0 0 329.404 3.243 10 5 EGBERN COc1ccc([C@H](C)CCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000152007316 162612134 /nfs/dbraw/zinc/61/21/34/162612134.db2.gz IHVZKRRSZVPBQR-GFCCVEGCSA-N 0 0 343.383 3.230 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000337046486 163114734 /nfs/dbraw/zinc/11/47/34/163114734.db2.gz LLNNNVQZFPKVMY-ZBFHGGJFSA-N 0 0 342.399 3.016 10 5 EGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000337135690 163139843 /nfs/dbraw/zinc/13/98/43/163139843.db2.gz DKKHNXVTYXEBNS-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c(OC)c1 ZINC000337148092 163144512 /nfs/dbraw/zinc/14/45/12/163144512.db2.gz ZUUMIHQUCCOLOJ-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C(F)F ZINC000337275462 163191368 /nfs/dbraw/zinc/19/13/68/163191368.db2.gz GAKYHCBIPDMQKV-LBPRGKRZSA-N 0 0 330.356 3.333 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000338495338 163245971 /nfs/dbraw/zinc/24/59/71/163245971.db2.gz TVKOZQHUEOIRQH-JTQLQIEISA-N 0 0 334.319 3.237 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C)o1 ZINC000338556567 163272548 /nfs/dbraw/zinc/27/25/48/163272548.db2.gz OPOOLSZXYUMQJP-UHFFFAOYSA-N 0 0 341.371 3.411 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000342064583 163776485 /nfs/dbraw/zinc/77/64/85/163776485.db2.gz QJBOLRDQBLYVDL-OLZOCXBDSA-N 0 0 338.367 3.383 10 5 EGBERN Cc1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000342232700 163822255 /nfs/dbraw/zinc/82/22/55/163822255.db2.gz QPDLQATVEHGZGS-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342660508 163935404 /nfs/dbraw/zinc/93/54/04/163935404.db2.gz WKPWRPZSZAGVFT-IAGOWNOFSA-N 0 0 344.342 3.384 10 5 EGBERN CN(C)c1ccccc1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342686404 163942328 /nfs/dbraw/zinc/94/23/28/163942328.db2.gz ANYUZEOPSVFFAS-UHFFFAOYSA-N 0 0 349.337 3.145 10 5 EGBERN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000342739356 163954130 /nfs/dbraw/zinc/95/41/30/163954130.db2.gz KFSQNSZVBGTKNZ-UHFFFAOYSA-N 0 0 326.352 3.246 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(c3ccccn3)CCC2)c1 ZINC000343965393 164074218 /nfs/dbraw/zinc/07/42/18/164074218.db2.gz SMIHBWJZCIKXPC-UHFFFAOYSA-N 0 0 341.367 3.310 10 5 EGBERN Cc1c(CNC(=O)c2cccc3ccc(=O)[nH]c32)cccc1[N+](=O)[O-] ZINC000344001779 164080371 /nfs/dbraw/zinc/08/03/71/164080371.db2.gz VZVIPTULQPBAJN-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344180181 164121069 /nfs/dbraw/zinc/12/10/69/164121069.db2.gz PGPYCGGPNLMOBP-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2ccccc2F)c1 ZINC000345703637 164248280 /nfs/dbraw/zinc/24/82/80/164248280.db2.gz AXWVVBLGPLMQPU-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CSc3ccc(F)cc3)no2)n1 ZINC000345728678 164253109 /nfs/dbraw/zinc/25/31/09/164253109.db2.gz XNMSZJBQDKMEID-UHFFFAOYSA-N 0 0 349.347 3.293 10 5 EGBERN CC(C)(NC(=O)c1ccnc2ccncc21)c1ccccc1[N+](=O)[O-] ZINC000345768228 164262011 /nfs/dbraw/zinc/26/20/11/164262011.db2.gz AVIWPZZQABEUCK-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345849381 164279068 /nfs/dbraw/zinc/27/90/68/164279068.db2.gz FFHAQNTUSBLKLC-SNVBAGLBSA-N 0 0 335.310 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000345970474 164306192 /nfs/dbraw/zinc/30/61/92/164306192.db2.gz ZCIJDQIVSRZHTR-ZDUSSCGKSA-N 0 0 343.383 3.023 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)ccc3C)no2)n1 ZINC000346522932 164391381 /nfs/dbraw/zinc/39/13/81/164391381.db2.gz DCDOLYDJODJTAP-UHFFFAOYSA-N 0 0 333.735 3.490 10 5 EGBERN C[C@H]1[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)[C@H]1c1ccccc1 ZINC000346883731 164435499 /nfs/dbraw/zinc/43/54/99/164435499.db2.gz YZOIHNAVMRAAIB-SSKCKEOISA-N 0 0 336.351 3.481 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000347307851 164477705 /nfs/dbraw/zinc/47/77/05/164477705.db2.gz UITLIBHXZFRNAH-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347840582 164590979 /nfs/dbraw/zinc/59/09/79/164590979.db2.gz DMHKWBAAIHVVPV-PSASIEDQSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1nn([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000354927285 166065704 /nfs/dbraw/zinc/06/57/04/166065704.db2.gz BVWHZRIRGVQRCL-AWEZNQCLSA-N 0 0 330.388 3.098 10 5 EGBERN CC[C@H](NCc1nc2ccc(OC)nc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000355004900 166084622 /nfs/dbraw/zinc/08/46/22/166084622.db2.gz KQCIEOJBTRFWIO-ZDUSSCGKSA-N 0 0 341.371 3.116 10 5 EGBERN CCN(CCOC)c1cccc(COc2ccc([N+](=O)[O-])cc2F)n1 ZINC000351653510 165115966 /nfs/dbraw/zinc/11/59/66/165115966.db2.gz BCMDAXAUCPJVIH-UHFFFAOYSA-N 0 0 349.362 3.181 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000352048500 165209104 /nfs/dbraw/zinc/20/91/04/165209104.db2.gz OUKUBRBKYGJKFZ-MRXNPFEDSA-N 0 0 331.324 3.034 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000352099741 165235107 /nfs/dbraw/zinc/23/51/07/165235107.db2.gz BHFYSNJRALGGTO-JTQLQIEISA-N 0 0 344.323 3.283 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1cnn(-c2ccccc2)c1 ZINC000352359165 165362465 /nfs/dbraw/zinc/36/24/65/165362465.db2.gz CZTCCOVQMIFTOK-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN CC(C)n1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1 ZINC000353422029 165765264 /nfs/dbraw/zinc/76/52/64/165765264.db2.gz NHONGTUHTPSYSM-UHFFFAOYSA-N 0 0 331.376 3.317 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000355284791 166153349 /nfs/dbraw/zinc/15/33/49/166153349.db2.gz DGZWOOUMAXEQOL-JTQLQIEISA-N 0 0 341.367 3.435 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355370694 166177345 /nfs/dbraw/zinc/17/73/45/166177345.db2.gz CIBWATBJZRWHLH-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN CC1(C)CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355616367 166262411 /nfs/dbraw/zinc/26/24/11/166262411.db2.gz IIUONTVVEATGMY-UHFFFAOYSA-N 0 0 340.445 3.026 10 5 EGBERN CC(=O)c1ccc(OCC(=O)[C@H]2Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000355934917 166352017 /nfs/dbraw/zinc/35/20/17/166352017.db2.gz GZQVWGVRJDDKFR-HNNXBMFYSA-N 0 0 325.320 3.085 10 5 EGBERN O=c1c2oc3ccccc3c2ncn1Cc1ccc([N+](=O)[O-])cc1F ZINC000356562845 166450757 /nfs/dbraw/zinc/45/07/57/166450757.db2.gz NSBKOCJZOBEXFI-UHFFFAOYSA-N 0 0 339.282 3.238 10 5 EGBERN O=C(Cc1cccc(O)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357373431 166660606 /nfs/dbraw/zinc/66/06/06/166660606.db2.gz NDNRKAIPKPYFOB-QGZVFWFLSA-N 0 0 344.392 3.117 10 5 EGBERN Cn1ccc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(F)cc2)n1 ZINC000358466730 166872338 /nfs/dbraw/zinc/87/23/38/166872338.db2.gz ZSMKYWQGECAOMM-MRXNPFEDSA-N 0 0 327.319 3.064 10 5 EGBERN COc1ccc(OCc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000358960675 167019549 /nfs/dbraw/zinc/01/95/49/167019549.db2.gz BNCGHTRRQZDCGX-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN C[C@H]1SCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C ZINC000358964038 167020268 /nfs/dbraw/zinc/02/02/68/167020268.db2.gz GWWIHKVUIAXHBI-DTWKUNHWSA-N 0 0 346.355 3.162 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(OC)cc1Cl ZINC000361056953 167502510 /nfs/dbraw/zinc/50/25/10/167502510.db2.gz JSJVFWCOLGQAJU-UHFFFAOYSA-N 0 0 338.795 3.436 10 5 EGBERN Cc1cc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1F ZINC000361149899 167539514 /nfs/dbraw/zinc/53/95/14/167539514.db2.gz VYGBPOKKRVQMID-UHFFFAOYSA-N 0 0 338.285 3.179 10 5 EGBERN CC(=O)c1ccc(Nc2ccc3ccc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000362682186 167821411 /nfs/dbraw/zinc/82/14/11/167821411.db2.gz XDCALSGCZHFIMQ-UHFFFAOYSA-N 0 0 337.335 3.393 10 5 EGBERN Cc1c(Cc2noc(COc3ccc(O)cc3)n2)cccc1[N+](=O)[O-] ZINC000362713565 167826836 /nfs/dbraw/zinc/82/68/36/167826836.db2.gz TXKKMRDDRWXRTA-UHFFFAOYSA-N 0 0 341.323 3.162 10 5 EGBERN CC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373645710 287212547 /nfs/dbraw/zinc/21/25/47/287212547.db2.gz UABLMSLHGYJWIL-IUODEOHRSA-N 0 0 326.780 3.023 10 5 EGBERN COc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000364752040 167982019 /nfs/dbraw/zinc/98/20/19/167982019.db2.gz YZJSOLVGTQVURW-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000366976250 168164622 /nfs/dbraw/zinc/16/46/22/168164622.db2.gz OFGGNWHHMIBKDL-GFCCVEGCSA-N 0 0 341.346 3.165 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000367455617 168227705 /nfs/dbraw/zinc/22/77/05/168227705.db2.gz IQAGAJPVSZTIQM-RHSMWYFYSA-N 0 0 344.342 3.384 10 5 EGBERN Cc1sc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000367503036 168234670 /nfs/dbraw/zinc/23/46/70/168234670.db2.gz OLLNNZUIVCZPPG-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN CC(=O)c1cc(N2CCC(c3nccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000367801706 168271865 /nfs/dbraw/zinc/27/18/65/168271865.db2.gz IVTBJFGCFBNAJW-UHFFFAOYSA-N 0 0 340.383 3.280 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000367925772 168284920 /nfs/dbraw/zinc/28/49/20/168284920.db2.gz HWEBJASWFHTFHU-HNNXBMFYSA-N 0 0 325.368 3.261 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000189939359 292603819 /nfs/dbraw/zinc/60/38/19/292603819.db2.gz BNLOERUPXPVODO-HNNXBMFYSA-N 0 0 326.352 3.465 10 5 EGBERN COC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000174867535 265076468 /nfs/dbraw/zinc/07/64/68/265076468.db2.gz YMUNMLSOXPPURB-UHFFFAOYSA-N 0 0 343.270 3.238 10 5 EGBERN CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000175111636 265093887 /nfs/dbraw/zinc/09/38/87/265093887.db2.gz SFYJZQCBDBRBDV-QGZVFWFLSA-N 0 0 348.424 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1C ZINC000175678203 265129583 /nfs/dbraw/zinc/12/95/83/265129583.db2.gz JRRBMCITHJKQAD-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175733464 265132737 /nfs/dbraw/zinc/13/27/37/265132737.db2.gz RBDONDBSJJUNLC-ZDUSSCGKSA-N 0 0 345.403 3.008 10 5 EGBERN Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2N)oc2ccccc12 ZINC000176711684 265199188 /nfs/dbraw/zinc/19/91/88/265199188.db2.gz QNGMZWVJSMBGAF-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177811648 265278765 /nfs/dbraw/zinc/27/87/65/265278765.db2.gz NXYUIDKXBDYTRK-QGZVFWFLSA-N 0 0 344.367 3.493 10 5 EGBERN CC[C@H](NC(=O)CNc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177813490 265279066 /nfs/dbraw/zinc/27/90/66/265279066.db2.gz BEPYYYRALHNKFY-HNNXBMFYSA-N 0 0 343.383 3.283 10 5 EGBERN COCC(=O)Nc1ccc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178177808 265298378 /nfs/dbraw/zinc/29/83/78/265298378.db2.gz JENTVZKOYLUYJU-LBPRGKRZSA-N 0 0 330.340 3.320 10 5 EGBERN O=C(NCCCc1ccccn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178807771 265343994 /nfs/dbraw/zinc/34/39/94/265343994.db2.gz INKJFXPXBDTJBT-UHFFFAOYSA-N 0 0 334.763 3.398 10 5 EGBERN O=C(c1cn2ccnc2s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188706645 265700213 /nfs/dbraw/zinc/70/02/13/265700213.db2.gz QXZRRUSNUXJZIQ-UHFFFAOYSA-N 0 0 342.380 3.109 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000191623156 265921331 /nfs/dbraw/zinc/92/13/31/265921331.db2.gz YBVRMYDZSUEDJE-QMMMGPOBSA-N 0 0 340.742 3.095 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000193503532 266038154 /nfs/dbraw/zinc/03/81/54/266038154.db2.gz FBVBVNFLXCVUME-HNNXBMFYSA-N 0 0 349.774 3.069 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCSCc1ccccc1F ZINC000195114369 266161338 /nfs/dbraw/zinc/16/13/38/266161338.db2.gz SZXQZIHWMAZVTR-UHFFFAOYSA-N 0 0 349.387 3.101 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268478511 266283784 /nfs/dbraw/zinc/28/37/84/266283784.db2.gz ZQUSUGKMWCKQJP-HZMBPMFUSA-N 0 0 334.397 3.207 10 5 EGBERN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270759366 266553296 /nfs/dbraw/zinc/55/32/96/266553296.db2.gz FBTSWUYTWLZUCW-LSDHHAIUSA-N 0 0 342.399 3.127 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000270756688 266553298 /nfs/dbraw/zinc/55/32/98/266553298.db2.gz DNBBEUIJFDSPLY-HNNXBMFYSA-N 0 0 346.362 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1nccn1CC(F)(F)F ZINC000273419907 267036900 /nfs/dbraw/zinc/03/69/00/267036900.db2.gz JFIWYNIZWYHSNJ-UHFFFAOYSA-N 0 0 342.321 3.294 10 5 EGBERN CC(C)(C(=O)NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC000273927011 267145145 /nfs/dbraw/zinc/14/51/45/267145145.db2.gz RHFUTKIPPXEBCF-UHFFFAOYSA-N 0 0 336.388 3.432 10 5 EGBERN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCO2 ZINC000274233445 267202600 /nfs/dbraw/zinc/20/26/00/267202600.db2.gz FQVPLCSHLFIZPY-HNNXBMFYSA-N 0 0 344.367 3.225 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)c2ncccc21 ZINC000275729969 267414485 /nfs/dbraw/zinc/41/44/85/267414485.db2.gz AEFMATLOROSEFK-UHFFFAOYSA-N 0 0 346.774 3.048 10 5 EGBERN CCC(CC)[C@H](O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278457713 268017151 /nfs/dbraw/zinc/01/71/51/268017151.db2.gz GXZKCVYCZVUSSX-CYBMUJFWSA-N 0 0 328.796 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000194816494 275035552 /nfs/dbraw/zinc/03/55/52/275035552.db2.gz HWWHMZGNDQBPMH-AWEZNQCLSA-N 0 0 347.302 3.256 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542568 275169064 /nfs/dbraw/zinc/16/90/64/275169064.db2.gz FPCCNFFAIPNPEJ-KRWDZBQOSA-N 0 0 349.431 3.128 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(F)F)cc1 ZINC000184560555 275212400 /nfs/dbraw/zinc/21/24/00/275212400.db2.gz YAYYTYLVOGGXPY-UHFFFAOYSA-N 0 0 336.294 3.228 10 5 EGBERN CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000184972813 275214223 /nfs/dbraw/zinc/21/42/23/275214223.db2.gz LRHNBZOAQIJHDX-UHFFFAOYSA-N 0 0 343.383 3.169 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cs1 ZINC000187015756 275217065 /nfs/dbraw/zinc/21/70/65/275217065.db2.gz DONDFULECPZTMA-CQSZACIVSA-N 0 0 332.385 3.040 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000275012809 275249358 /nfs/dbraw/zinc/24/93/58/275249358.db2.gz JSTFXERJHARBQH-CYBMUJFWSA-N 0 0 346.412 3.061 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cscn3)no2)ccc1N1CCCC1 ZINC000278758348 275272287 /nfs/dbraw/zinc/27/22/87/275272287.db2.gz RQVUDNGFZNVUPH-UHFFFAOYSA-N 0 0 343.368 3.369 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000281911970 275587826 /nfs/dbraw/zinc/58/78/26/275587826.db2.gz PWARTBWFWRTHIG-KFNAQCHYSA-N 0 0 338.379 3.262 10 5 EGBERN O=C(CO[C@H]1CCCc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000281912411 275587940 /nfs/dbraw/zinc/58/79/40/275587940.db2.gz GMYLQPHSWUZEJE-SFHVURJKSA-N 0 0 340.379 3.305 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000185658226 275729911 /nfs/dbraw/zinc/72/99/11/275729911.db2.gz LUPBGWQEDVPUOJ-DHZHZOJOSA-N 0 0 348.790 3.044 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2CC(F)F)cc1C(F)(F)F ZINC000286549412 276015374 /nfs/dbraw/zinc/01/53/74/276015374.db2.gz ORZRRYUOMXFAKS-VIFPVBQESA-N 0 0 340.248 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC[C@H]1CC(F)F ZINC000287374047 276113396 /nfs/dbraw/zinc/11/33/96/276113396.db2.gz RCHHATFDNJDEFV-LLVKDONJSA-N 0 0 343.330 3.100 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ccc(N)cc3[N+](=O)[O-])C2)c1 ZINC000288025034 276176639 /nfs/dbraw/zinc/17/66/39/276176639.db2.gz SVQTUXQPKAIGCC-CYBMUJFWSA-N 0 0 342.399 3.124 10 5 EGBERN CC(=O)[C@@H](C)CCCCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288526380 276223813 /nfs/dbraw/zinc/22/38/13/276223813.db2.gz XVMQQLPDWLTLKN-AWEZNQCLSA-N 0 0 334.416 3.381 10 5 EGBERN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000288870086 276262220 /nfs/dbraw/zinc/26/22/20/276262220.db2.gz NVUJEJZTALXCDU-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC3(C2)Oc2ccccc2O3)c(F)c1 ZINC000289055619 276284629 /nfs/dbraw/zinc/28/46/29/276284629.db2.gz QTAJJBSMTIJGJW-UHFFFAOYSA-N 0 0 348.305 3.246 10 5 EGBERN CC(C)(Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C(F)(F)F ZINC000290193685 276461427 /nfs/dbraw/zinc/46/14/27/276461427.db2.gz WONBVTZVGHRPTL-UHFFFAOYSA-N 0 0 330.266 3.095 10 5 EGBERN Cc1ncc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291765757 276687946 /nfs/dbraw/zinc/68/79/46/276687946.db2.gz BKLHWSMUNFSOED-UHFFFAOYSA-N 0 0 334.401 3.094 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@H]2CC)c([N+](=O)[O-])cc1OCC ZINC000292801304 276877473 /nfs/dbraw/zinc/87/74/73/276877473.db2.gz YQLUCYRVWPWLIT-LLVKDONJSA-N 0 0 337.376 3.408 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000371998403 277937205 /nfs/dbraw/zinc/93/72/05/277937205.db2.gz JSWXKCBGYAGZIL-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911240 278383549 /nfs/dbraw/zinc/38/35/49/278383549.db2.gz QLPVWHHRFNEIRW-WBMJQRKESA-N 0 0 341.415 3.251 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)ncn2C ZINC000122660001 280023653 /nfs/dbraw/zinc/02/36/53/280023653.db2.gz GKBUQPHVKJWBHA-NSHDSACASA-N 0 0 336.351 3.073 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247880317 280355263 /nfs/dbraw/zinc/35/52/63/280355263.db2.gz BOWWONOYFOJTCC-UGSOOPFHSA-N 0 0 327.384 3.274 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCSc4ccc(F)cc43)nn21 ZINC000131078040 280382930 /nfs/dbraw/zinc/38/29/30/280382930.db2.gz FPYLDYBPXWBMRT-NSHDSACASA-N 0 0 345.359 3.426 10 5 EGBERN CCc1cnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000342360123 281473005 /nfs/dbraw/zinc/47/30/05/281473005.db2.gz AKTNVNKQDSGULI-UHFFFAOYSA-N 0 0 327.312 3.073 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000360638529 282042015 /nfs/dbraw/zinc/04/20/15/282042015.db2.gz OCVBBHLGZCYCGX-CYBMUJFWSA-N 0 0 335.360 3.306 10 5 EGBERN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000376423523 297077605 /nfs/dbraw/zinc/07/76/05/297077605.db2.gz XEGHTBCUQVPLKP-XHBSWPGZSA-N 0 0 340.807 3.411 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000358709419 295328588 /nfs/dbraw/zinc/32/85/88/295328588.db2.gz ZZSNOPIMAHPLBN-CVEARBPZSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000336969896 301192482 /nfs/dbraw/zinc/19/24/82/301192482.db2.gz BXGDPGFDNLPGOS-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN Cc1cccc([C@@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000366764048 302023354 /nfs/dbraw/zinc/02/33/54/302023354.db2.gz AMZVOIROZLVUCK-HNNXBMFYSA-N 0 0 342.399 3.394 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C(F)F ZINC000337302730 303638771 /nfs/dbraw/zinc/63/87/71/303638771.db2.gz RPPQHFRPUTZFJK-NSHDSACASA-N 0 0 330.356 3.333 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC(C)C)c1 ZINC000056434829 307343221 /nfs/dbraw/zinc/34/32/21/307343221.db2.gz QZZAYZGASQLTKC-UHFFFAOYSA-N 0 0 343.383 3.263 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000066333440 307361857 /nfs/dbraw/zinc/36/18/57/307361857.db2.gz KHBASQVPDLIYPH-SNVBAGLBSA-N 0 0 338.410 3.359 10 5 EGBERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000068918534 307373033 /nfs/dbraw/zinc/37/30/33/307373033.db2.gz LAVBPKOQAPVQIA-UHFFFAOYSA-N 0 0 338.360 3.338 10 5 EGBERN CC(C)Oc1cc(C(=O)N(C(C)C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000413831616 309049432 /nfs/dbraw/zinc/04/94/32/309049432.db2.gz ZIDTUAKEMLUVFX-AWEZNQCLSA-N 0 0 336.388 3.022 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000413876735 309051107 /nfs/dbraw/zinc/05/11/07/309051107.db2.gz KSRQRQJLEIEFIN-AAEUAGOBSA-N 0 0 338.354 3.358 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304632 307448173 /nfs/dbraw/zinc/44/81/73/307448173.db2.gz PCQBJYBMXJNDLN-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN CCn1c(C)cc(C(=O)COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1C ZINC000119102571 307491003 /nfs/dbraw/zinc/49/10/03/307491003.db2.gz ICLICYDHAYALJE-UHFFFAOYSA-N 0 0 344.367 3.497 10 5 EGBERN CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000126533379 307570986 /nfs/dbraw/zinc/57/09/86/307570986.db2.gz IHQLMRIKDCPHPZ-CYBMUJFWSA-N 0 0 334.401 3.044 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000151940101 307742182 /nfs/dbraw/zinc/74/21/82/307742182.db2.gz UIYQVPRPDZCPIG-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN CCSCc1ccnc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000153590139 307776596 /nfs/dbraw/zinc/77/65/96/307776596.db2.gz MBPFQDVSWIJLEL-UHFFFAOYSA-N 0 0 332.385 3.199 10 5 EGBERN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC(C)(C)C ZINC000161289053 307901071 /nfs/dbraw/zinc/90/10/71/307901071.db2.gz XLCZDBNLGHXPNQ-CQSZACIVSA-N 0 0 336.388 3.143 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000162032728 307908862 /nfs/dbraw/zinc/90/88/62/307908862.db2.gz TYWBUXIXKXSRDK-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN CCN(c1ccccc1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414369105 309075660 /nfs/dbraw/zinc/07/56/60/309075660.db2.gz IBFMFIHNGIUAMO-UHFFFAOYSA-N 0 0 334.397 3.427 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000292964880 308084643 /nfs/dbraw/zinc/08/46/43/308084643.db2.gz GVMULVCPKRJRRQ-XHDPSFHLSA-N 0 0 340.807 3.228 10 5 EGBERN COC[C@@H]1CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000293260708 308114865 /nfs/dbraw/zinc/11/48/65/308114865.db2.gz XDLTVKNKXWCLPR-HNNXBMFYSA-N 0 0 326.352 3.051 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000414472307 309082361 /nfs/dbraw/zinc/08/23/61/309082361.db2.gz NUYGAMYABNORHY-OAHLLOKOSA-N 0 0 342.342 3.197 10 5 EGBERN CC(C)(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[N+](=O)[O-] ZINC000294239215 308202931 /nfs/dbraw/zinc/20/29/31/308202931.db2.gz FFVQIXDZSXXDNV-UHFFFAOYSA-N 0 0 333.363 3.027 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294825108 308261410 /nfs/dbraw/zinc/26/14/10/308261410.db2.gz DCTILNCHHIZEEP-TZMCWYRMSA-N 0 0 326.780 3.070 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CCC(O)CC2)CC1 ZINC000294833522 308262273 /nfs/dbraw/zinc/26/22/73/308262273.db2.gz ALEREFYLGRCEGA-UHFFFAOYSA-N 0 0 325.796 3.165 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000294918205 308271262 /nfs/dbraw/zinc/27/12/62/308271262.db2.gz KGKWYYRJGUYGAR-HIFRSBDPSA-N 0 0 329.356 3.287 10 5 EGBERN CC(=O)c1cc(N2CCC3(CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000294989477 308279314 /nfs/dbraw/zinc/27/93/14/308279314.db2.gz QHWWCVKMRIJNGS-UHFFFAOYSA-N 0 0 332.400 3.319 10 5 EGBERN O=C(c1cnc(C2CC2)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295476565 308330710 /nfs/dbraw/zinc/33/07/10/308330710.db2.gz PITXWLZQUTZRPY-UHFFFAOYSA-N 0 0 338.367 3.067 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000295578004 308340158 /nfs/dbraw/zinc/34/01/58/308340158.db2.gz MYJJLDWEKFKJBA-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000295893501 308371915 /nfs/dbraw/zinc/37/19/15/308371915.db2.gz HGQQRUOSIVDCNW-GHMZBOCLSA-N 0 0 346.305 3.163 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000296113688 308395083 /nfs/dbraw/zinc/39/50/83/308395083.db2.gz NRWMHHSHIZTHOW-GHMZBOCLSA-N 0 0 346.305 3.163 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298393578 308609997 /nfs/dbraw/zinc/60/99/97/308609997.db2.gz RSSUHLPKJOQTNJ-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299263927 308667989 /nfs/dbraw/zinc/66/79/89/308667989.db2.gz GXKOHUXAYCKVIV-UHFFFAOYSA-N 0 0 327.384 3.014 10 5 EGBERN O=C1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCN1c1ccccc1 ZINC000301203941 308691685 /nfs/dbraw/zinc/69/16/85/308691685.db2.gz OWLFMQDGUISACS-QGZVFWFLSA-N 0 0 348.362 3.360 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1noc(C)n1 ZINC000301457231 308701078 /nfs/dbraw/zinc/70/10/78/308701078.db2.gz CJDUCLXGWZZJSJ-SECBINFHSA-N 0 0 328.275 3.451 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3cccc(Cl)c3)cc2N1 ZINC000301598300 308706710 /nfs/dbraw/zinc/70/67/10/308706710.db2.gz HHGVCLQVCSPAAC-UHFFFAOYSA-N 0 0 347.758 3.234 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301596235 308706778 /nfs/dbraw/zinc/70/67/78/308706778.db2.gz GDLBNNGODMLYLP-LLVKDONJSA-N 0 0 348.790 3.343 10 5 EGBERN COC(=O)c1cc(N2CCc3ccccc3CC2)cc(C)c1[N+](=O)[O-] ZINC000301690784 308711004 /nfs/dbraw/zinc/71/10/04/308711004.db2.gz NLNVTJRCVAOXRF-UHFFFAOYSA-N 0 0 340.379 3.295 10 5 EGBERN Cc1nc(N[C@@H]2CCN(c3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000301690990 308711096 /nfs/dbraw/zinc/71/10/96/308711096.db2.gz YOGKYSQANJFRMV-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2cccnc2)no1 ZINC000301699235 308711461 /nfs/dbraw/zinc/71/14/61/308711461.db2.gz DUVYDQLJDIVMSC-AWEZNQCLSA-N 0 0 340.343 3.244 10 5 EGBERN CC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cc(F)ccc1F ZINC000301892587 308720366 /nfs/dbraw/zinc/72/03/66/308720366.db2.gz AFFJHILCODTSJR-LBPRGKRZSA-N 0 0 333.298 3.479 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N(Cc3ccc(F)cc3F)C3CC3)nn21 ZINC000301941240 308722433 /nfs/dbraw/zinc/72/24/33/308722433.db2.gz UPNXLGRKNUWPKQ-UHFFFAOYSA-N 0 0 345.309 3.085 10 5 EGBERN COC(=O)c1cc(Nc2ccn(CCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000302043435 308726750 /nfs/dbraw/zinc/72/67/50/308726750.db2.gz SLNLHMDERJVFMB-UHFFFAOYSA-N 0 0 332.360 3.368 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC000302060342 308727419 /nfs/dbraw/zinc/72/74/19/308727419.db2.gz RSYNOKKCEGOVGG-MRXNPFEDSA-N 0 0 327.384 3.168 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)c2c(C)noc2C)c1 ZINC000302065347 308727915 /nfs/dbraw/zinc/72/79/15/308727915.db2.gz AOWKUAFBJLPTHG-VIFPVBQESA-N 0 0 333.344 3.202 10 5 EGBERN CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000302151305 308731047 /nfs/dbraw/zinc/73/10/47/308731047.db2.gz KMBJTAXCGRGOCH-AWEZNQCLSA-N 0 0 326.360 3.460 10 5 EGBERN COC(=O)[C@@](C)(CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000302751414 308744290 /nfs/dbraw/zinc/74/42/90/308744290.db2.gz HETBRBGFHQSWED-INIZCTEOSA-N 0 0 349.774 3.186 10 5 EGBERN COc1cc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1F ZINC000338637260 308878594 /nfs/dbraw/zinc/87/85/94/308878594.db2.gz RRTHCLAWPBMFCX-UHFFFAOYSA-N 0 0 330.319 3.273 10 5 EGBERN CC(=O)c1ccc(Nc2cccc([C@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC000351847751 308884842 /nfs/dbraw/zinc/88/48/42/308884842.db2.gz BKEHMYMOCVYEPD-CQSZACIVSA-N 0 0 339.351 3.145 10 5 EGBERN C[C@@H](SCc1nnn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000357400701 308891679 /nfs/dbraw/zinc/89/16/79/308891679.db2.gz NRWMCZPNXGABQG-MRVPVSSYSA-N 0 0 347.322 3.138 10 5 EGBERN CCOc1ccc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000411120461 308927687 /nfs/dbraw/zinc/92/76/87/308927687.db2.gz FRLVGTLYLRGAMU-UHFFFAOYSA-N 0 0 344.289 3.160 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000412765000 309001664 /nfs/dbraw/zinc/00/16/64/309001664.db2.gz MLWIXDDRFXDQGQ-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](CO)c2ccccc2)c(C(F)(F)F)c1 ZINC000413183033 309020018 /nfs/dbraw/zinc/02/00/18/309020018.db2.gz UMYQKCFOFWTXOL-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413239859 309023085 /nfs/dbraw/zinc/02/30/85/309023085.db2.gz USIGPSGANNYGQD-CYBMUJFWSA-N 0 0 330.363 3.234 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000413371584 309029231 /nfs/dbraw/zinc/02/92/31/309029231.db2.gz WTXZZYMBBYFICX-CXAGYDPISA-N 0 0 347.415 3.175 10 5 EGBERN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000413412345 309030979 /nfs/dbraw/zinc/03/09/79/309030979.db2.gz FMLJHUUGTFYBRF-GJZGRUSLSA-N 0 0 337.383 3.410 10 5 EGBERN COC(=O)c1cc(C)nc(NC2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000413438189 309032110 /nfs/dbraw/zinc/03/21/10/309032110.db2.gz IMJFCRIPOVJCMT-UHFFFAOYSA-N 0 0 343.330 3.321 10 5 EGBERN C[C@@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000413457834 309032878 /nfs/dbraw/zinc/03/28/78/309032878.db2.gz OMKNPMOQPUPLPH-VIFPVBQESA-N 0 0 329.784 3.057 10 5 EGBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000413475944 309033724 /nfs/dbraw/zinc/03/37/24/309033724.db2.gz DFWCJGQKYIZRDX-KDOFPFPSSA-N 0 0 326.327 3.369 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)CC(F)F)cc([N+](=O)[O-])c1 ZINC000413483878 309033963 /nfs/dbraw/zinc/03/39/63/309033963.db2.gz XXUMOVXYXXCVFH-UHFFFAOYSA-N 0 0 330.287 3.001 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)n1 ZINC000416119193 309159324 /nfs/dbraw/zinc/15/93/24/309159324.db2.gz DPYAECLXUVMJAO-UHFFFAOYSA-N 0 0 349.416 3.035 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000416356535 309169814 /nfs/dbraw/zinc/16/98/14/309169814.db2.gz FNMQCMPANDQBPN-GFCCVEGCSA-N 0 0 347.396 3.043 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000417067028 309191779 /nfs/dbraw/zinc/19/17/79/309191779.db2.gz CININJUGBHJULO-INIZCTEOSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000419030285 309259799 /nfs/dbraw/zinc/25/97/99/309259799.db2.gz SYSPENOFTIBXKV-AWEZNQCLSA-N 0 0 328.372 3.049 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)C1 ZINC000420480640 309287629 /nfs/dbraw/zinc/28/76/29/309287629.db2.gz LAVOZNWMUXKUNX-NWDGAFQWSA-N 0 0 331.328 3.010 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cccc(C(C)C)c3)n2)n1C ZINC000420492542 309288170 /nfs/dbraw/zinc/28/81/70/309288170.db2.gz KMRODUFGRVJPHZ-UHFFFAOYSA-N 0 0 341.371 3.401 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000421675273 309334143 /nfs/dbraw/zinc/33/41/43/309334143.db2.gz JBTRQXXKHPZJBX-UONOGXRCSA-N 0 0 336.388 3.069 10 5 EGBERN Cc1c(C(=O)NCC(=O)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000424874834 309458104 /nfs/dbraw/zinc/45/81/04/309458104.db2.gz CQVWQCQVCBHLTA-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424975859 309460675 /nfs/dbraw/zinc/46/06/75/309460675.db2.gz UKXCKTKBLQYVOA-AEFFLSMTSA-N 0 0 343.358 3.150 10 5 EGBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000424986384 309461035 /nfs/dbraw/zinc/46/10/35/309461035.db2.gz XNLKPFDSYLXLAE-ZMMAXQRCSA-N 0 0 340.354 3.452 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000425034518 309463188 /nfs/dbraw/zinc/46/31/88/309463188.db2.gz CNGYHOWNDHUSEJ-NXEZZACHSA-N 0 0 328.315 3.457 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000426268768 309503178 /nfs/dbraw/zinc/50/31/78/309503178.db2.gz UFUQBQLJZCGJHF-ITGUQSILSA-N 0 0 343.305 3.211 10 5 EGBERN COC1CCC(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426655210 309511848 /nfs/dbraw/zinc/51/18/48/309511848.db2.gz CDMANOMYMWNBBR-UHFFFAOYSA-N 0 0 334.416 3.194 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3ccccc3)o2)n1 ZINC000427450994 309529321 /nfs/dbraw/zinc/52/93/21/309529321.db2.gz BMEFHRXXUHRBRL-UHFFFAOYSA-N 0 0 340.339 3.001 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000427462293 309529643 /nfs/dbraw/zinc/52/96/43/309529643.db2.gz KFEGAVPUZIBXLF-HNNXBMFYSA-N 0 0 342.351 3.084 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000427593016 309531745 /nfs/dbraw/zinc/53/17/45/309531745.db2.gz IAVMOTLXWOOXLS-GJZGRUSLSA-N 0 0 342.399 3.267 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000428408612 309550237 /nfs/dbraw/zinc/55/02/37/309550237.db2.gz KTIBAVOCYFOURB-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(F)cc(F)c1F ZINC000431077535 309624974 /nfs/dbraw/zinc/62/49/74/309624974.db2.gz OZEUQBUEGVMEKX-UHFFFAOYSA-N 0 0 339.273 3.371 10 5 EGBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000431181054 309627322 /nfs/dbraw/zinc/62/73/22/309627322.db2.gz JFQQTTIDZLNUAC-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN CCOC(=O)c1ccnc(N2CCc3c2c(F)ccc3F)c1[N+](=O)[O-] ZINC000432168466 309654002 /nfs/dbraw/zinc/65/40/02/309654002.db2.gz XBVZMJBHBYWGMI-UHFFFAOYSA-N 0 0 349.293 3.139 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000434753155 309719369 /nfs/dbraw/zinc/71/93/69/309719369.db2.gz AWDANGJFEZDRHA-UHFFFAOYSA-N 0 0 344.820 3.249 10 5 EGBERN COc1ccc(NC(=O)c2ccc(OC(C)C)cn2)c([N+](=O)[O-])c1 ZINC000435670875 309737555 /nfs/dbraw/zinc/73/75/55/309737555.db2.gz WSOXTQAMDKGWTJ-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN C[C@H](NC(=O)NCCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455099419 310344505 /nfs/dbraw/zinc/34/45/05/310344505.db2.gz FOHGBFQDORNTFS-JTQLQIEISA-N 0 0 327.331 3.390 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438152240 309808196 /nfs/dbraw/zinc/80/81/96/309808196.db2.gz ZRLMMGOGJWMXRH-HFBDOXOYSA-N 0 0 332.381 3.339 10 5 EGBERN CO[C@H]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438933881 309822620 /nfs/dbraw/zinc/82/26/20/309822620.db2.gz GLLMGQJFTNJOII-GWCFXTLKSA-N 0 0 326.780 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439498566 309834983 /nfs/dbraw/zinc/83/49/83/309834983.db2.gz ZDUUITYPOORVHK-GJZGRUSLSA-N 0 0 347.415 3.492 10 5 EGBERN C/C=C/C[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OCC ZINC000439717411 309838697 /nfs/dbraw/zinc/83/86/97/309838697.db2.gz FJYVOGNWAJODFQ-KEDPEKRHSA-N 0 0 348.399 3.346 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000445574912 309943705 /nfs/dbraw/zinc/94/37/05/309943705.db2.gz BNKVRMNLQAHHKR-GHMZBOCLSA-N 0 0 345.746 3.303 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@]2(C)CCCc3ccccc32)n1 ZINC000445579367 309943830 /nfs/dbraw/zinc/94/38/30/309943830.db2.gz NAGQQSYOHSQTNG-KRWDZBQOSA-N 0 0 339.355 3.021 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(Cl)cc2C)no1 ZINC000445598190 309944117 /nfs/dbraw/zinc/94/41/17/309944117.db2.gz YOCUNBMNRZGAML-UHFFFAOYSA-N 0 0 347.762 3.084 10 5 EGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000445663589 309945176 /nfs/dbraw/zinc/94/51/76/309945176.db2.gz AGSPYSCNWZUGHW-BBBLOLIVSA-N 0 0 329.194 3.359 10 5 EGBERN CCOCCC1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCC1 ZINC000447674979 309985571 /nfs/dbraw/zinc/98/55/71/309985571.db2.gz JAWHKRPIUHWQLZ-UHFFFAOYSA-N 0 0 332.404 3.292 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3OCC3CC3)nc2c1 ZINC000447679579 309985572 /nfs/dbraw/zinc/98/55/72/309985572.db2.gz KYRCDNQVVXMLSE-UHFFFAOYSA-N 0 0 338.367 3.294 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000448492508 310004769 /nfs/dbraw/zinc/00/47/69/310004769.db2.gz NNRNPOMINIVVSI-UHFFFAOYSA-N 0 0 345.261 3.202 10 5 EGBERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000448612719 310008869 /nfs/dbraw/zinc/00/88/69/310008869.db2.gz RZVUANWJMOBMMX-YUELXQCFSA-N 0 0 348.399 3.140 10 5 EGBERN CCOC(=O)c1csc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000448946291 310025256 /nfs/dbraw/zinc/02/52/56/310025256.db2.gz MFWGLCOEVRKQSC-UHFFFAOYSA-N 0 0 347.396 3.397 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2noc(C3CC3)n2)o1 ZINC000449298364 310051228 /nfs/dbraw/zinc/05/12/28/310051228.db2.gz JQRGNZSSATXLJE-UHFFFAOYSA-N 0 0 340.339 3.405 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)Oc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000450051161 310100781 /nfs/dbraw/zinc/10/07/81/310100781.db2.gz HZNUIDAZJXEYRQ-DOMZBBRYSA-N 0 0 329.356 3.025 10 5 EGBERN CCc1nnc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000450401143 310120347 /nfs/dbraw/zinc/12/03/47/310120347.db2.gz FWQGDCAINIWGEA-UHFFFAOYSA-N 0 0 330.266 3.480 10 5 EGBERN Cn1c(CNc2nccc3c2cccc3[N+](=O)[O-])nnc1C1CCC1 ZINC000450442535 310123096 /nfs/dbraw/zinc/12/30/96/310123096.db2.gz SPUHGDSMDQYXPJ-UHFFFAOYSA-N 0 0 338.371 3.151 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3ccc(F)cc3F)nn21 ZINC000450912118 310149412 /nfs/dbraw/zinc/14/94/12/310149412.db2.gz LLZJUNPOWCLMFC-ZDUSSCGKSA-N 0 0 345.309 3.257 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451969794 310205930 /nfs/dbraw/zinc/20/59/30/310205930.db2.gz AZODYTUBMNBDHW-HNNXBMFYSA-N 0 0 348.380 3.104 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(OCC)C1 ZINC000452275732 310221192 /nfs/dbraw/zinc/22/11/92/310221192.db2.gz JQSDJZKNJIBRFI-UHFFFAOYSA-N 0 0 338.429 3.348 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000452363671 310224782 /nfs/dbraw/zinc/22/47/82/310224782.db2.gz CQSSPLIHHMDILR-GXTWGEPZSA-N 0 0 335.379 3.015 10 5 EGBERN C[C@@]12CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452607614 310234499 /nfs/dbraw/zinc/23/44/99/310234499.db2.gz TYEYXZQNURIJIQ-GFIVTLFCSA-N 0 0 326.396 3.198 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000452808368 310242824 /nfs/dbraw/zinc/24/28/24/310242824.db2.gz CCZKAVHKRPBXRB-WMLDXEAASA-N 0 0 348.443 3.440 10 5 EGBERN Cc1c(CC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452811301 310243022 /nfs/dbraw/zinc/24/30/22/310243022.db2.gz DJIDUZHORYWVHB-YOEHRIQHSA-N 0 0 334.416 3.013 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000452812946 310243135 /nfs/dbraw/zinc/24/31/35/310243135.db2.gz FEUVIFVQYBSQLL-ABAIWWIYSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000452822905 310243720 /nfs/dbraw/zinc/24/37/20/310243720.db2.gz QWVZICKNHFQSNZ-YOEHRIQHSA-N 0 0 348.443 3.440 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000452834581 310244493 /nfs/dbraw/zinc/24/44/93/310244493.db2.gz BMZSYXQGRBGNEC-PBHICJAKSA-N 0 0 339.395 3.500 10 5 EGBERN C[C@]1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCCO1 ZINC000453240211 310266070 /nfs/dbraw/zinc/26/60/70/310266070.db2.gz RWELWVPUKYWCDJ-MRXNPFEDSA-N 0 0 330.344 3.029 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CCc3ccco3)n2)c2c1NCCC2 ZINC000453239588 310266170 /nfs/dbraw/zinc/26/61/70/310266170.db2.gz QHQMLKCTRWUELB-UHFFFAOYSA-N 0 0 340.339 3.381 10 5 EGBERN CS[C@@H](C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453241296 310266345 /nfs/dbraw/zinc/26/63/45/310266345.db2.gz UFOXOWSGJUVQOK-VIFPVBQESA-N 0 0 334.401 3.297 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c(c3O)CCCC4)n2)o1 ZINC000453253403 310266827 /nfs/dbraw/zinc/26/68/27/310266827.db2.gz IDEJDFXVEIWJJH-UHFFFAOYSA-N 0 0 327.296 3.489 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000454324539 310303522 /nfs/dbraw/zinc/30/35/22/310303522.db2.gz OYIBNUMUGGTUQZ-ABAIWWIYSA-N 0 0 339.367 3.307 10 5 EGBERN CC[C@H]1CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455400325 310358971 /nfs/dbraw/zinc/35/89/71/310358971.db2.gz LALLWPKYZRNJMY-JTQLQIEISA-N 0 0 328.166 3.374 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455495813 310363850 /nfs/dbraw/zinc/36/38/50/310363850.db2.gz ASXNAOZVJOWITD-UVBJJODRSA-N 0 0 335.404 3.159 10 5 EGBERN CC(C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC000456149345 310390698 /nfs/dbraw/zinc/39/06/98/310390698.db2.gz RNKUIGPSCSHHHT-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN CCc1ncc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000456480949 310408695 /nfs/dbraw/zinc/40/86/95/310408695.db2.gz CEPRVFZPFFLKFA-ZDUSSCGKSA-N 0 0 331.372 3.030 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000456805359 310423309 /nfs/dbraw/zinc/42/33/09/310423309.db2.gz WJPLVUUGSKLZNP-NWDGAFQWSA-N 0 0 334.372 3.017 10 5 EGBERN C[C@@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458329394 310498448 /nfs/dbraw/zinc/49/84/48/310498448.db2.gz DMGWQUDMCHPROB-OAHLLOKOSA-N 0 0 326.299 3.425 10 5 EGBERN Cc1cccnc1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000459001698 310530152 /nfs/dbraw/zinc/53/01/52/310530152.db2.gz HXELEAIALBRXCJ-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000464065077 310617311 /nfs/dbraw/zinc/61/73/11/310617311.db2.gz MVJIBMWUULEFGK-OAHLLOKOSA-N 0 0 341.411 3.259 10 5 EGBERN CCc1cnc(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)s1 ZINC000474791751 310799313 /nfs/dbraw/zinc/79/93/13/310799313.db2.gz RZSGNXNBGLHJOI-UHFFFAOYSA-N 0 0 349.412 3.345 10 5 EGBERN CC[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000476155164 310822989 /nfs/dbraw/zinc/82/29/89/310822989.db2.gz NZQHWKJZGMKPKF-CQSZACIVSA-N 0 0 339.395 3.458 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000477995258 310852905 /nfs/dbraw/zinc/85/29/05/310852905.db2.gz ODHKWTNOJLLOLQ-GJZGRUSLSA-N 0 0 347.415 3.246 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000480557682 310896450 /nfs/dbraw/zinc/89/64/50/310896450.db2.gz SVVMMJCFARRDNT-PSASIEDQSA-N 0 0 332.278 3.159 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000487900757 311041916 /nfs/dbraw/zinc/04/19/16/311041916.db2.gz VLDRTIRGEOYEDH-BDJLRTHQSA-N 0 0 344.415 3.316 10 5 EGBERN C[C@@H](CC(=O)OC(C)(C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488092121 311050844 /nfs/dbraw/zinc/05/08/44/311050844.db2.gz DPUJZSLXIPHCFH-NSHDSACASA-N 0 0 331.372 3.097 10 5 EGBERN COc1cc(Br)ccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000489974169 311127747 /nfs/dbraw/zinc/12/77/47/311127747.db2.gz UKGHDBSVRIQWMV-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000490038548 311130606 /nfs/dbraw/zinc/13/06/06/311130606.db2.gz IAUQZONREDLGED-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN COc1cc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000492781474 311290432 /nfs/dbraw/zinc/29/04/32/311290432.db2.gz CIIFDTVNTHIBOG-OAHLLOKOSA-N 0 0 338.404 3.059 10 5 EGBERN COCCSc1ccc([C@H](C)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000505598673 312027599 /nfs/dbraw/zinc/02/75/99/312027599.db2.gz XUYHJBSDPONIBT-LBPRGKRZSA-N 0 0 333.413 3.323 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000507639021 312079722 /nfs/dbraw/zinc/07/97/22/312079722.db2.gz VDBAAEJMJHFIAH-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN CC(C)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000507864154 312084199 /nfs/dbraw/zinc/08/41/99/312084199.db2.gz FNQLBSXEUVKZNT-UHFFFAOYSA-N 0 0 329.404 3.263 10 5 EGBERN C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000515185981 312270162 /nfs/dbraw/zinc/27/01/62/312270162.db2.gz GNSGYYCUKPAYML-XHDPSFHLSA-N 0 0 326.352 3.208 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000516787160 312342425 /nfs/dbraw/zinc/34/24/25/312342425.db2.gz OHLIJTWSDIZTKY-QGZVFWFLSA-N 0 0 339.395 3.258 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000517035347 312360354 /nfs/dbraw/zinc/36/03/54/312360354.db2.gz GHDUUQABWVFPIN-SMDDNHRTSA-N 0 0 340.445 3.234 10 5 EGBERN Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517644227 312386832 /nfs/dbraw/zinc/38/68/32/312386832.db2.gz BCBVMKVXYIVVGB-MRXNPFEDSA-N 0 0 339.395 3.393 10 5 EGBERN COC1(c2noc(/C=C(\C)c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000517842433 312395164 /nfs/dbraw/zinc/39/51/64/312395164.db2.gz WQOXODGWBWOFJH-VAWYXSNFSA-N 0 0 345.355 3.190 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000518798441 312430426 /nfs/dbraw/zinc/43/04/26/312430426.db2.gz NXJRCRZXVVJAST-ZIAGYGMSSA-N 0 0 327.388 3.017 10 5 EGBERN C[C@@H]1C[C@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000519737356 312474565 /nfs/dbraw/zinc/47/45/65/312474565.db2.gz GNRIJYCNYYHCGR-NWDGAFQWSA-N 0 0 330.388 3.059 10 5 EGBERN COc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000524691645 312672009 /nfs/dbraw/zinc/67/20/09/312672009.db2.gz QICDDQRTQYLTGM-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000524708182 312673317 /nfs/dbraw/zinc/67/33/17/312673317.db2.gz CWGWAGFRLQNHLF-RISCZKNCSA-N 0 0 331.372 3.448 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)C(F)(F)F ZINC000531628697 313692695 /nfs/dbraw/zinc/69/26/95/313692695.db2.gz IWQKANAYTBAZSM-ZDUSSCGKSA-N 0 0 339.273 3.365 10 5 EGBERN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634720 313693835 /nfs/dbraw/zinc/69/38/35/313693835.db2.gz YTWCTKFBUCMSCY-HNNXBMFYSA-N 0 0 325.368 3.146 10 5 EGBERN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc([N+](=O)[O-])cn1 ZINC000531880957 313725461 /nfs/dbraw/zinc/72/54/61/313725461.db2.gz VWHIQDPPBLRYMV-UHFFFAOYSA-N 0 0 336.279 3.130 10 5 EGBERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531881109 313725585 /nfs/dbraw/zinc/72/55/85/313725585.db2.gz GLICXBUNFVZPFT-ZDUSSCGKSA-N 0 0 327.384 3.476 10 5 EGBERN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531887905 313726615 /nfs/dbraw/zinc/72/66/15/313726615.db2.gz CEDNITNNPURPLB-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN NC(=O)C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CCCCC1 ZINC000535719709 314062555 /nfs/dbraw/zinc/06/25/55/314062555.db2.gz XPPIMWZUHJCDCC-INIZCTEOSA-N 0 0 342.399 3.379 10 5 EGBERN Cc1sc(C(=O)NCC2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000538795464 314275815 /nfs/dbraw/zinc/27/58/15/314275815.db2.gz CUJLFSAPEYJSGG-UHFFFAOYSA-N 0 0 330.409 3.500 10 5 EGBERN CCCc1ccc([C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000539023415 314290618 /nfs/dbraw/zinc/29/06/18/314290618.db2.gz CPVKMJSKLKIECR-INIZCTEOSA-N 0 0 344.415 3.408 10 5 EGBERN CCOc1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000542044579 314514458 /nfs/dbraw/zinc/51/44/58/314514458.db2.gz FTBKCLNWPZGEKK-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2ccc(O)cc2)c1 ZINC000543900635 314662821 /nfs/dbraw/zinc/66/28/21/314662821.db2.gz OEYDSOSNBFZHFQ-UHFFFAOYSA-N 0 0 330.340 3.132 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000548751270 315042463 /nfs/dbraw/zinc/04/24/63/315042463.db2.gz PTLNRQPMWKTFFJ-KBXCAEBGSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000552141920 315201760 /nfs/dbraw/zinc/20/17/60/315201760.db2.gz AVDFHBIAHOGACN-ABZNLYFFSA-N 0 0 346.412 3.478 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCN=c3[nH]c4cc(F)ccc4o3)c2c1 ZINC000554689263 315342479 /nfs/dbraw/zinc/34/24/79/315342479.db2.gz HJXDYPNKRPRGGK-UHFFFAOYSA-N 0 0 340.314 3.433 10 5 EGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@H](C2CC2)C1 ZINC000554890591 315355051 /nfs/dbraw/zinc/35/50/51/315355051.db2.gz YSTJIIPMXGLBTD-JTQLQIEISA-N 0 0 328.290 3.486 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000554912956 315356598 /nfs/dbraw/zinc/35/65/98/315356598.db2.gz BAWFUGBSNAZTJV-JTQLQIEISA-N 0 0 329.303 3.057 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])no1 ZINC000555139121 315368356 /nfs/dbraw/zinc/36/83/56/315368356.db2.gz DTYOBNAVYOZHMY-SNVBAGLBSA-N 0 0 343.343 3.236 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)COc1ccccc1Cl ZINC000556039146 315413108 /nfs/dbraw/zinc/41/31/08/315413108.db2.gz SOFXRDLRQQDQFP-LBPRGKRZSA-N 0 0 337.759 3.375 10 5 EGBERN CC(C)(NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000556557163 315441958 /nfs/dbraw/zinc/44/19/58/315441958.db2.gz QQVAPAXIERXVIN-OAHLLOKOSA-N 0 0 340.379 3.382 10 5 EGBERN CNC(=O)c1ccc(N2CCc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000561357920 315758188 /nfs/dbraw/zinc/75/81/88/315758188.db2.gz PUYONCLRWJQFIX-UHFFFAOYSA-N 0 0 325.368 3.265 10 5 EGBERN Cn1ncc2ccc(-c3noc(CCc4cccc([N+](=O)[O-])c4)n3)cc21 ZINC000562226236 315806018 /nfs/dbraw/zinc/80/60/18/315806018.db2.gz UHIFJGIJTFFVPY-UHFFFAOYSA-N 0 0 349.350 3.317 10 5 EGBERN Cc1csc(Sc2ccc(C(=O)N(C)C#N)cc2[N+](=O)[O-])n1 ZINC000564751711 316199307 /nfs/dbraw/zinc/19/93/07/316199307.db2.gz QINJZHXVBWELSR-UHFFFAOYSA-N 0 0 334.382 3.064 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3ccccn3)CC2)c1 ZINC000565092823 316263760 /nfs/dbraw/zinc/26/37/60/316263760.db2.gz KJJVMHOLYZCWIN-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565228979 316295388 /nfs/dbraw/zinc/29/53/88/316295388.db2.gz NEMJODPDUVZEON-CYBMUJFWSA-N 0 0 337.395 3.053 10 5 EGBERN CC[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000565414725 316321137 /nfs/dbraw/zinc/32/11/37/316321137.db2.gz RUJGVZFISRMPCA-NSHDSACASA-N 0 0 326.343 3.454 10 5 EGBERN O=C(Nc1ccc2c(c1)CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566838275 316533462 /nfs/dbraw/zinc/53/34/62/316533462.db2.gz MVLUTZWVNDPBQS-UHFFFAOYSA-N 0 0 340.335 3.455 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000569768201 316960197 /nfs/dbraw/zinc/96/01/97/316960197.db2.gz GCGCESDMDKJSLA-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN CC(C)Oc1nc(N2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000572855877 317402487 /nfs/dbraw/zinc/40/24/87/317402487.db2.gz PZVPABYOKSWFHQ-AWEZNQCLSA-N 0 0 335.404 3.172 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171744953 323248817 /nfs/dbraw/zinc/24/88/17/323248817.db2.gz KSXLNNAXLATIMI-ZIAGYGMSSA-N 0 0 332.306 3.293 10 5 EGBERN CCc1n[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000171911396 323259657 /nfs/dbraw/zinc/25/96/57/323259657.db2.gz BIORTZRLOROOFU-UHFFFAOYSA-N 0 0 343.170 3.117 10 5 EGBERN C[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000172342400 323278139 /nfs/dbraw/zinc/27/81/39/323278139.db2.gz WCPOFXOJSOTXTL-GFCCVEGCSA-N 0 0 346.408 3.247 10 5 EGBERN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000182410186 323549358 /nfs/dbraw/zinc/54/93/58/323549358.db2.gz BZZOVPTUYPMRJA-MRXNPFEDSA-N 0 0 341.367 3.109 10 5 EGBERN CCc1onc(C)c1-c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000350885372 324134086 /nfs/dbraw/zinc/13/40/86/324134086.db2.gz CPBQLYWMVPPYAG-UHFFFAOYSA-N 0 0 344.327 3.103 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000575841886 324490978 /nfs/dbraw/zinc/49/09/78/324490978.db2.gz NONNRAUIRPRZDF-BETUJISGSA-N 0 0 344.802 3.216 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000577708989 324852000 /nfs/dbraw/zinc/85/20/00/324852000.db2.gz VRXHTTJEWJUSBV-JTQLQIEISA-N 0 0 331.294 3.118 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000579026239 325052860 /nfs/dbraw/zinc/05/28/60/325052860.db2.gz UATSFYBSOJIGJD-PIGZYNQJSA-N 0 0 340.383 3.225 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579731502 325152810 /nfs/dbraw/zinc/15/28/10/325152810.db2.gz LMGILIXTOJEYLS-CYBMUJFWSA-N 0 0 349.406 3.339 10 5 EGBERN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579788773 325157676 /nfs/dbraw/zinc/15/76/76/325157676.db2.gz KTCYYJRFALVFIT-OAHLLOKOSA-N 0 0 339.395 3.047 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000183075004 455223229 /nfs/dbraw/zinc/22/32/29/455223229.db2.gz HDMOPXYQJRKRLF-MLFXKNMZSA-N 0 0 342.351 3.191 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1C ZINC000180735693 455235905 /nfs/dbraw/zinc/23/59/05/455235905.db2.gz JQKLHNJDCUTGBX-UHFFFAOYSA-N 0 0 343.383 3.075 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000474183507 458867629 /nfs/dbraw/zinc/86/76/29/458867629.db2.gz NECGPOFIQRJSQX-VIFPVBQESA-N 0 0 346.836 3.366 10 5 EGBERN COc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)c(OC)c1 ZINC000000102940 452508583 /nfs/dbraw/zinc/50/85/83/452508583.db2.gz QPCFFVLOUPIHND-MRXNPFEDSA-N 0 0 334.397 3.396 10 5 EGBERN CC(C)OC(=O)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000000258330 452548294 /nfs/dbraw/zinc/54/82/94/452548294.db2.gz BYJRYXNISLQLCN-LBPRGKRZSA-N 0 0 325.386 3.431 10 5 EGBERN C[C@@]12C[C@@H](NC(=O)N1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000000427485 452588888 /nfs/dbraw/zinc/58/88/88/452588888.db2.gz MHVCYOZFMMKXHY-CRAIPNDOSA-N 0 0 339.351 3.360 10 5 EGBERN CCOc1ccc(NC(=O)CN2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245451053 455304098 /nfs/dbraw/zinc/30/40/98/455304098.db2.gz PEDYIMAJLSEYIO-CHWSQXEVSA-N 0 0 335.404 3.052 10 5 EGBERN COc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000003394923 452764308 /nfs/dbraw/zinc/76/43/08/452764308.db2.gz ZNYHBLRIFPTPMT-UHFFFAOYSA-N 0 0 336.731 3.274 10 5 EGBERN COc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(NC2CCCCC2)n1 ZINC000004684941 452811846 /nfs/dbraw/zinc/81/18/46/452811846.db2.gz JHZZVCZBCQUKPK-UHFFFAOYSA-N 0 0 344.375 3.277 10 5 EGBERN CN(C)C(=O)[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000005506511 452878972 /nfs/dbraw/zinc/87/89/72/452878972.db2.gz VHRDADXUMOFSHE-OAHLLOKOSA-N 0 0 334.759 3.457 10 5 EGBERN CC(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000005693733 452895281 /nfs/dbraw/zinc/89/52/81/452895281.db2.gz UEMZQYPXPBQDQR-ZDUSSCGKSA-N 0 0 328.324 3.049 10 5 EGBERN CCCc1n[nH]c(C(=O)NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000600696932 460570604 /nfs/dbraw/zinc/57/06/04/460570604.db2.gz SVRRSKMFZUFSOG-UHFFFAOYSA-N 0 0 348.325 3.123 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccn2)cs1 ZINC000006969763 453011488 /nfs/dbraw/zinc/01/14/88/453011488.db2.gz XGNVQSQEABFIOV-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000007708069 453106186 /nfs/dbraw/zinc/10/61/86/453106186.db2.gz VBUMBQPZAKWCAA-UHFFFAOYSA-N 0 0 342.760 3.058 10 5 EGBERN O=C(Nc1nncs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000009117975 453244496 /nfs/dbraw/zinc/24/44/96/453244496.db2.gz UHWKJJHTQYPQAG-UHFFFAOYSA-N 0 0 347.400 3.079 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC2(CC2)CC1 ZINC000600768813 460595702 /nfs/dbraw/zinc/59/57/02/460595702.db2.gz KSJVVPAMYIDFEG-UHFFFAOYSA-N 0 0 341.367 3.255 10 5 EGBERN Cc1c(CC(=O)N2CC(Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000600760196 460593279 /nfs/dbraw/zinc/59/32/79/460593279.db2.gz HONXGJWSZBPCSJ-UHFFFAOYSA-N 0 0 330.409 3.208 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC3(CC3)CC2)c1 ZINC000600770237 460596344 /nfs/dbraw/zinc/59/63/44/460596344.db2.gz XBJKFWLEUKTKEN-UHFFFAOYSA-N 0 0 332.400 3.465 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cc([N+](=O)[O-])c1 ZINC000600776035 460598517 /nfs/dbraw/zinc/59/85/17/460598517.db2.gz VVDOCNPJQOJVLH-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 ZINC000014139544 453511194 /nfs/dbraw/zinc/51/11/94/453511194.db2.gz WKDJGXWLUBSXLI-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000022555829 453694242 /nfs/dbraw/zinc/69/42/42/453694242.db2.gz HGFPOVNVGJGKAY-QWRGUYRKSA-N 0 0 346.305 3.211 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000024742973 453744365 /nfs/dbraw/zinc/74/43/65/453744365.db2.gz MODBHPRRABGBHK-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1cc(NC(=O)c2ncc(F)cc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000190674186 455364818 /nfs/dbraw/zinc/36/48/18/455364818.db2.gz PPCYEBOWKLBCEA-UHFFFAOYSA-N 0 0 344.277 3.377 10 5 EGBERN COC(=O)c1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000026270941 453795309 /nfs/dbraw/zinc/79/53/09/453795309.db2.gz GZKHYGPCMHWVNQ-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1nc(C)c2ccccc2n1 ZINC000031674382 453851755 /nfs/dbraw/zinc/85/17/55/453851755.db2.gz PYFJGMYGCYREKK-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075108844 453861803 /nfs/dbraw/zinc/86/18/03/453861803.db2.gz AMNBNTLSQZNEGV-UHFFFAOYSA-N 0 0 345.374 3.161 10 5 EGBERN Cc1nccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000053546250 453885840 /nfs/dbraw/zinc/88/58/40/453885840.db2.gz UEPFQJWNFZHXJC-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000067033495 453895538 /nfs/dbraw/zinc/89/55/38/453895538.db2.gz AISPEBPUYZAZJV-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000067036755 453896107 /nfs/dbraw/zinc/89/61/07/453896107.db2.gz WQRGPSFDZZHDRW-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047956 453897163 /nfs/dbraw/zinc/89/71/63/453897163.db2.gz WXUNSFJLYOZOFB-LHRNQBEKSA-N 0 0 343.408 3.471 10 5 EGBERN O=C(C/C=C/c1ccc(F)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000081714454 453905343 /nfs/dbraw/zinc/90/53/43/453905343.db2.gz MCCLNUOGOLZFHX-OWOJBTEDSA-N 0 0 344.342 3.332 10 5 EGBERN Cc1noc(C)c1CN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411021 453929210 /nfs/dbraw/zinc/92/92/10/453929210.db2.gz XHNUTQIHEJXCPG-AWEZNQCLSA-N 0 0 344.415 3.078 10 5 EGBERN O=C(C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000040556351 453952852 /nfs/dbraw/zinc/95/28/52/453952852.db2.gz MXVKDEHPDWIPTI-UHFFFAOYSA-N 0 0 349.406 3.353 10 5 EGBERN CC(C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000067650124 453953303 /nfs/dbraw/zinc/95/33/03/453953303.db2.gz BRHFJFUYAIOSQH-VIFPVBQESA-N 0 0 334.294 3.153 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCc1ccc(F)cc1 ZINC000055023047 453956822 /nfs/dbraw/zinc/95/68/22/453956822.db2.gz HOYPYWQKRWSBCF-UHFFFAOYSA-N 0 0 345.374 3.155 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCc2ccccc2C1 ZINC000067823510 453969616 /nfs/dbraw/zinc/96/96/16/453969616.db2.gz VTNKDQTUZQCIBV-KRWDZBQOSA-N 0 0 349.390 3.223 10 5 EGBERN O=C(OCCc1ccccc1[N+](=O)[O-])c1ncoc1-c1ccco1 ZINC000084504591 453993134 /nfs/dbraw/zinc/99/31/34/453993134.db2.gz LKJRCJFYETVQHH-UHFFFAOYSA-N 0 0 328.280 3.242 10 5 EGBERN Cc1sc(C(=O)Nc2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000068072633 453993920 /nfs/dbraw/zinc/99/39/20/453993920.db2.gz SLCIMDBOUYYECY-UHFFFAOYSA-N 0 0 326.403 3.366 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CSc2ccccc2O1 ZINC000084583034 453999143 /nfs/dbraw/zinc/99/91/43/453999143.db2.gz TZXNJIDROUUOKN-ZDUSSCGKSA-N 0 0 334.328 3.226 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CSc2ccccc2O1 ZINC000084583035 453999678 /nfs/dbraw/zinc/99/96/78/453999678.db2.gz TZXNJIDROUUOKN-CYBMUJFWSA-N 0 0 334.328 3.226 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000068224667 454008849 /nfs/dbraw/zinc/00/88/49/454008849.db2.gz DDIKNVHMFRAXLD-LLVKDONJSA-N 0 0 346.412 3.017 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000042792219 454025530 /nfs/dbraw/zinc/02/55/30/454025530.db2.gz UWQXJQMJPJCXAQ-KRWDZBQOSA-N 0 0 342.399 3.165 10 5 EGBERN Cc1oc2ncnc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2c1C ZINC000087084054 454061359 /nfs/dbraw/zinc/06/13/59/454061359.db2.gz LTTSUVCLFXGXCJ-UHFFFAOYSA-N 0 0 340.339 3.319 10 5 EGBERN COc1ccc(F)c(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000088535796 454110891 /nfs/dbraw/zinc/11/08/91/454110891.db2.gz YSFKWRUDYKHTRU-UHFFFAOYSA-N 0 0 333.319 3.102 10 5 EGBERN COc1ccc(-n2cc(CNc3cc(C)ccc3[N+](=O)[O-])nn2)cc1 ZINC000088740185 454117484 /nfs/dbraw/zinc/11/74/84/454117484.db2.gz OPGDBUYWGDGFRG-UHFFFAOYSA-N 0 0 339.355 3.105 10 5 EGBERN CCOCCOc1cc(C)ccc1CNc1ccncc1[N+](=O)[O-] ZINC000088743637 454118550 /nfs/dbraw/zinc/11/85/50/454118550.db2.gz KEDUSNJWUGNDDR-UHFFFAOYSA-N 0 0 331.372 3.326 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000088795873 454121560 /nfs/dbraw/zinc/12/15/60/454121560.db2.gz SDJXDXIEGUJOSU-VIFPVBQESA-N 0 0 344.389 3.143 10 5 EGBERN COc1cc(NC[C@@H]2CC(=O)Nc3ccccc32)c([N+](=O)[O-])cc1F ZINC000089420811 454147370 /nfs/dbraw/zinc/14/73/70/454147370.db2.gz OBIWEYMDCQDOAY-JTQLQIEISA-N 0 0 345.330 3.280 10 5 EGBERN COc1cc(NCc2cccc(-c3nc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000089429342 454148619 /nfs/dbraw/zinc/14/86/19/454148619.db2.gz LNJCVTJYUZSDPC-UHFFFAOYSA-N 0 0 325.328 3.001 10 5 EGBERN Cc1nnc([C@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)[nH]1 ZINC000057840182 454151021 /nfs/dbraw/zinc/15/10/21/454151021.db2.gz LMRPUTFBUSYIJY-OAHLLOKOSA-N 0 0 327.319 3.362 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000089460857 454152321 /nfs/dbraw/zinc/15/23/21/454152321.db2.gz XJXDONRHJMMGID-ZCFIWIBFSA-N 0 0 328.781 3.086 10 5 EGBERN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000078022105 454177203 /nfs/dbraw/zinc/17/72/03/454177203.db2.gz UKFWRTGQRUFZLH-OAHLLOKOSA-N 0 0 333.367 3.323 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095347310 454195493 /nfs/dbraw/zinc/19/54/93/454195493.db2.gz IYCWFEGMSNJANP-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(C)(C)O ZINC000058407146 454199492 /nfs/dbraw/zinc/19/94/92/454199492.db2.gz WSBOKMOWGPGKTA-GFCCVEGCSA-N 0 0 328.368 3.397 10 5 EGBERN COC(=O)CCCCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119913408 454235200 /nfs/dbraw/zinc/23/52/00/454235200.db2.gz OECCLLYPUDALLG-UHFFFAOYSA-N 0 0 337.376 3.067 10 5 EGBERN CCOc1ccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224827 454295204 /nfs/dbraw/zinc/29/52/04/454295204.db2.gz HQVWYSFARPUDPD-RISCZKNCSA-N 0 0 345.403 3.079 10 5 EGBERN Cc1cnc(NCCc2csc(N3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000078668202 454295167 /nfs/dbraw/zinc/29/51/67/454295167.db2.gz HVKFXLQMLHFNFS-UHFFFAOYSA-N 0 0 333.417 3.010 10 5 EGBERN CC[C@H](NS(=O)(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090222732 454295626 /nfs/dbraw/zinc/29/56/26/454295626.db2.gz VHHQCTODZKQXTH-KRWDZBQOSA-N 0 0 348.424 3.208 10 5 EGBERN COc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000132089887 454312616 /nfs/dbraw/zinc/31/26/16/454312616.db2.gz FXYOIVOFGMEJRJ-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN CC[C@H](NC(=O)NCCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000090584050 454324099 /nfs/dbraw/zinc/32/40/99/454324099.db2.gz PHCAMQKIJHTMNI-AWEZNQCLSA-N 0 0 325.434 3.488 10 5 EGBERN CC[C@H](NC(=O)NCC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000090685641 454335614 /nfs/dbraw/zinc/33/56/14/454335614.db2.gz CUNOTSDHAZAYSU-HNNXBMFYSA-N 0 0 337.420 3.144 10 5 EGBERN Cc1sc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047189064 454338425 /nfs/dbraw/zinc/33/84/25/454338425.db2.gz ODIQZTLBROHQEW-MFKMUULPSA-N 0 0 326.418 3.290 10 5 EGBERN CN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079109597 454369186 /nfs/dbraw/zinc/36/91/86/454369186.db2.gz JQMXSHPMRJELCF-UHFFFAOYSA-N 0 0 333.775 3.319 10 5 EGBERN CO[C@@H](C)CCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000097082703 454400931 /nfs/dbraw/zinc/40/09/31/454400931.db2.gz GBVVNPTWBUNYEF-QMMMGPOBSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCO2)o1 ZINC000097163044 454419592 /nfs/dbraw/zinc/41/95/92/454419592.db2.gz YMQQVYUEQOODIK-MRXNPFEDSA-N 0 0 345.355 3.410 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)nc1 ZINC000073360817 454429063 /nfs/dbraw/zinc/42/90/63/454429063.db2.gz YGTXIUMZOCODQZ-UHFFFAOYSA-N 0 0 327.344 3.234 10 5 EGBERN COC(=O)c1cc(N(C)[C@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000091463576 454438892 /nfs/dbraw/zinc/43/88/92/454438892.db2.gz CYZDUFFLMXCYPP-GFCCVEGCSA-N 0 0 329.356 3.282 10 5 EGBERN Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000091627897 454451845 /nfs/dbraw/zinc/45/18/45/454451845.db2.gz ZCEQZEXMCQXELE-CYBMUJFWSA-N 0 0 327.388 3.214 10 5 EGBERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000101525106 454471556 /nfs/dbraw/zinc/47/15/56/454471556.db2.gz IAXKWKPRIMMADQ-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN CCOC(=O)CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000122336057 454524233 /nfs/dbraw/zinc/52/42/33/454524233.db2.gz WJGKBHYSSSOCCD-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1c(C)nn(C)c1C ZINC000122456116 454535547 /nfs/dbraw/zinc/53/55/47/454535547.db2.gz ZMQXQSSNNIDSDD-HNNXBMFYSA-N 0 0 332.404 3.195 10 5 EGBERN COCc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377036 454552174 /nfs/dbraw/zinc/55/21/74/454552174.db2.gz NSKQZYVKQMNPFC-LBPRGKRZSA-N 0 0 326.352 3.333 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC000080410046 454577047 /nfs/dbraw/zinc/57/70/47/454577047.db2.gz MPJJMBTYCIXJHV-HNNXBMFYSA-N 0 0 347.346 3.250 10 5 EGBERN Cc1cc([C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000134818274 454593394 /nfs/dbraw/zinc/59/33/94/454593394.db2.gz AZDHUYAMFKOQMB-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCCC[C@@H]32)cc1OC(F)F ZINC000092666122 454605226 /nfs/dbraw/zinc/60/52/26/454605226.db2.gz ZTSOWOHBLVFVSO-WCQYABFASA-N 0 0 328.315 3.344 10 5 EGBERN Cc1ccoc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080608662 454605566 /nfs/dbraw/zinc/60/55/66/454605566.db2.gz XSDNLGRFKJKBHL-UHFFFAOYSA-N 0 0 343.383 3.203 10 5 EGBERN CCc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000051383609 454621494 /nfs/dbraw/zinc/62/14/94/454621494.db2.gz MLCOLIAUFBQCCU-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN O=[N+]([O-])c1cnn(CCSc2nnc(Nc3ccccc3)s2)c1 ZINC000074783123 454635287 /nfs/dbraw/zinc/63/52/87/454635287.db2.gz IMBHJTKAFUBSNA-UHFFFAOYSA-N 0 0 348.413 3.179 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC000080802010 454636460 /nfs/dbraw/zinc/63/64/60/454636460.db2.gz AJQQKJWKKLAXCG-MNOVXSKESA-N 0 0 340.426 3.127 10 5 EGBERN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000081046848 454677130 /nfs/dbraw/zinc/67/71/30/454677130.db2.gz GGMNTMRZYXZUMW-UHFFFAOYSA-N 0 0 343.383 3.062 10 5 EGBERN CSc1ccc(C(=O)Nc2ncc(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000135457412 454679685 /nfs/dbraw/zinc/67/96/85/454679685.db2.gz GCONXDSPEIXIGT-UHFFFAOYSA-N 0 0 337.382 3.228 10 5 EGBERN C[C@](CO)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000152874480 454736659 /nfs/dbraw/zinc/73/66/59/454736659.db2.gz PEOBDDCCHNYJJP-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(CCOCCOc1ccccc1)C2 ZINC000153036652 454755273 /nfs/dbraw/zinc/75/52/73/454755273.db2.gz VVUGCJCFXWIKRN-UHFFFAOYSA-N 0 0 342.395 3.049 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000124666175 454758416 /nfs/dbraw/zinc/75/84/16/454758416.db2.gz AOFDEHHSNRHVJL-UHFFFAOYSA-N 0 0 330.369 3.373 10 5 EGBERN CCc1cnc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000124853685 454776007 /nfs/dbraw/zinc/77/60/07/454776007.db2.gz LDTVNPFTPZRDRX-UHFFFAOYSA-N 0 0 332.385 3.204 10 5 EGBERN Cc1sc(C(=O)NCCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000125046740 454792578 /nfs/dbraw/zinc/79/25/78/454792578.db2.gz QWRNOKWVAWXMGL-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000138944698 454800254 /nfs/dbraw/zinc/80/02/54/454800254.db2.gz JOXZINLOFWNAKR-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000139014036 454801448 /nfs/dbraw/zinc/80/14/48/454801448.db2.gz ILXZDWXHXVHKGE-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN CN(C[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000108946853 454817769 /nfs/dbraw/zinc/81/77/69/454817769.db2.gz GOVZEYAYJKBGDR-ZDUSSCGKSA-N 0 0 347.806 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000163232136 454832142 /nfs/dbraw/zinc/83/21/42/454832142.db2.gz LJMVMAVPRVFMHD-BBRMVZONSA-N 0 0 335.404 3.356 10 5 EGBERN Cn1ccnc1CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153822976 454837605 /nfs/dbraw/zinc/83/76/05/454837605.db2.gz LMGZUBMLBUAZTE-UHFFFAOYSA-N 0 0 348.834 3.436 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000146331402 454858321 /nfs/dbraw/zinc/85/83/21/454858321.db2.gz PTQWVYVMMVSNKD-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000163900814 454868479 /nfs/dbraw/zinc/86/84/79/454868479.db2.gz AHSTUZRVJOCFAO-UHFFFAOYSA-N 0 0 341.411 3.322 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515474 454903915 /nfs/dbraw/zinc/90/39/15/454903915.db2.gz LHOMZIBCIRZESJ-KBXCAEBGSA-N 0 0 342.395 3.420 10 5 EGBERN CCOC(=O)c1ccc2oc3ccc(C(=O)OCC)cc3c(=O)c2c1 ZINC000169315469 454930298 /nfs/dbraw/zinc/93/02/98/454930298.db2.gz JSEILBNSYQWCCY-UHFFFAOYSA-N 0 0 340.331 3.300 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000154882785 454939500 /nfs/dbraw/zinc/93/95/00/454939500.db2.gz ALMOTCNSWYIWJY-NSHDSACASA-N 0 0 330.388 3.346 10 5 EGBERN CC(C)(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000115059638 454995057 /nfs/dbraw/zinc/99/50/57/454995057.db2.gz SHMAJGWHNYFOGT-UHFFFAOYSA-N 0 0 348.380 3.116 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2c2nccs2)ccc1[N+](=O)[O-] ZINC000115366149 455012691 /nfs/dbraw/zinc/01/26/91/455012691.db2.gz QRGQAKGYCHDHBO-ZDUSSCGKSA-N 0 0 347.396 3.427 10 5 EGBERN Nc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000115365157 455012748 /nfs/dbraw/zinc/01/27/48/455012748.db2.gz VGRBOCUYYOGKQJ-LBPRGKRZSA-N 0 0 332.385 3.001 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000151743381 455024742 /nfs/dbraw/zinc/02/47/42/455024742.db2.gz HGRYFMDJZCBIAO-KGLIPLIRSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128132231 455028785 /nfs/dbraw/zinc/02/87/85/455028785.db2.gz CRQZCRUFBGDILK-BDJLRTHQSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000152067423 455068351 /nfs/dbraw/zinc/06/83/51/455068351.db2.gz NZHVKIMYAIUIKH-GDLCADMTSA-N 0 0 336.413 3.042 10 5 EGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156060821 455077900 /nfs/dbraw/zinc/07/79/00/455077900.db2.gz LDDSNCNPSLTOTP-LLVKDONJSA-N 0 0 345.403 3.006 10 5 EGBERN Cc1sc(C(=O)Nc2cccnc2OCC(F)F)cc1[N+](=O)[O-] ZINC000129171027 455100984 /nfs/dbraw/zinc/10/09/84/455100984.db2.gz IZSPIITXSGWHNO-UHFFFAOYSA-N 0 0 343.311 3.256 10 5 EGBERN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])o1 ZINC000118700429 455109794 /nfs/dbraw/zinc/10/97/94/455109794.db2.gz BRORLCZWYIXGRT-KBPBESRZSA-N 0 0 346.339 3.122 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000172036878 455112174 /nfs/dbraw/zinc/11/21/74/455112174.db2.gz CKMLKGHHOAGYAP-HWPZZCPQSA-N 0 0 328.324 3.107 10 5 EGBERN CCOc1cc(C(=O)N[C@@H](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000172100847 455121472 /nfs/dbraw/zinc/12/14/72/455121472.db2.gz IVFZYNXTFQFNOM-NSHDSACASA-N 0 0 336.388 3.311 10 5 EGBERN CCNc1nc(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000156677735 455144158 /nfs/dbraw/zinc/14/41/58/455144158.db2.gz ZLKAQABOTFWKKV-GFCCVEGCSA-N 0 0 334.401 3.364 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000172587501 455163018 /nfs/dbraw/zinc/16/30/18/455163018.db2.gz YOBZYHVJTXZZTB-CHWSQXEVSA-N 0 0 338.429 3.466 10 5 EGBERN CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180652281 455218633 /nfs/dbraw/zinc/21/86/33/455218633.db2.gz CFSPBNYSNDIPIF-HOCLYGCPSA-N 0 0 343.431 3.365 10 5 EGBERN O=C(NCCc1ccsc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600994498 460668743 /nfs/dbraw/zinc/66/87/43/460668743.db2.gz CZLJUPBUQOGKQZ-UHFFFAOYSA-N 0 0 330.409 3.437 10 5 EGBERN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000174160396 455365911 /nfs/dbraw/zinc/36/59/11/455365911.db2.gz PLASMOMXKFKTQB-UHFFFAOYSA-N 0 0 331.278 3.466 10 5 EGBERN COc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1C(C)=O ZINC000181745806 455378129 /nfs/dbraw/zinc/37/81/29/455378129.db2.gz MHSCOOLXZNHLFA-UHFFFAOYSA-N 0 0 331.324 3.264 10 5 EGBERN C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174333593 455380605 /nfs/dbraw/zinc/38/06/05/455380605.db2.gz AQHIGEGCFLUVEI-MRVPVSSYSA-N 0 0 326.324 3.468 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000159818020 455406872 /nfs/dbraw/zinc/40/68/72/455406872.db2.gz XAPUEIRDQXEJQJ-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN CC(C)Cc1ccc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000160246300 455442122 /nfs/dbraw/zinc/44/21/22/455442122.db2.gz DTGTYDPJFGEMLV-GFCCVEGCSA-N 0 0 330.388 3.018 10 5 EGBERN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160304215 455446065 /nfs/dbraw/zinc/44/60/65/455446065.db2.gz UTTLNUVETPRSAC-UHFFFAOYSA-N 0 0 342.336 3.071 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(F)cccc2Cl)n1 ZINC000191652918 455507589 /nfs/dbraw/zinc/50/75/89/455507589.db2.gz UCPDYEJHRIEXRQ-QMMMGPOBSA-N 0 0 340.742 3.095 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(Cl)cc3)no2)n1 ZINC000191684244 455509148 /nfs/dbraw/zinc/50/91/48/455509148.db2.gz ZGHQKJHCGGACAV-UHFFFAOYSA-N 0 0 333.735 3.105 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2CCC(C(C)(C)C)CC2)n1 ZINC000191674876 455509558 /nfs/dbraw/zinc/50/95/58/455509558.db2.gz MAJPLMCJVXVGEE-UHFFFAOYSA-N 0 0 336.436 3.394 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(-c3ncco3)c2)n1 ZINC000191674950 455509671 /nfs/dbraw/zinc/50/96/71/455509671.db2.gz GUHBCHXCPKSION-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCc2ccccc2)n1 ZINC000191778217 455517975 /nfs/dbraw/zinc/51/79/75/455517975.db2.gz KOPLRVBPIJDLRX-HNNXBMFYSA-N 0 0 342.399 3.049 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccccc2Cl)n1 ZINC000191779312 455519079 /nfs/dbraw/zinc/51/90/79/455519079.db2.gz MIZXTQQDRGCGNH-ZDUSSCGKSA-N 0 0 348.790 3.442 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)n1 ZINC000191829128 455524308 /nfs/dbraw/zinc/52/43/08/455524308.db2.gz UGBBGBFSXDXNHI-RISCZKNCSA-N 0 0 346.362 3.174 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C(=O)OC)s1)c1cccc([N+](=O)[O-])c1 ZINC000267305924 455536216 /nfs/dbraw/zinc/53/62/16/455536216.db2.gz RQEDKEQZYSEVAK-GFCCVEGCSA-N 0 0 348.380 3.324 10 5 EGBERN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC(C)(C)C ZINC000161306525 455557653 /nfs/dbraw/zinc/55/76/53/455557653.db2.gz MXZHVJBFJNXOOK-AWEZNQCLSA-N 0 0 336.388 3.143 10 5 EGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185480678 455564125 /nfs/dbraw/zinc/56/41/25/455564125.db2.gz MVKNOGIVJGOAJX-GFCCVEGCSA-N 0 0 341.346 3.165 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000185701012 455601087 /nfs/dbraw/zinc/60/10/87/455601087.db2.gz QUWUOTSXYKYMNC-DBTPVHCXSA-N 0 0 340.383 3.475 10 5 EGBERN COc1cc(NCc2ccnc(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000268146626 455601553 /nfs/dbraw/zinc/60/15/53/455601553.db2.gz JIRNRSVWBFTCPD-UHFFFAOYSA-N 0 0 346.362 3.350 10 5 EGBERN CN1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516407 455634851 /nfs/dbraw/zinc/63/48/51/455634851.db2.gz BVADKHRYRXAPHZ-AAEUAGOBSA-N 0 0 340.355 3.187 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000268318852 455649894 /nfs/dbraw/zinc/64/98/94/455649894.db2.gz SGGLUPTVGHITRR-ZBFHGGJFSA-N 0 0 342.395 3.188 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)NC2(CCCCCC2)C1=O ZINC000277827137 455678870 /nfs/dbraw/zinc/67/88/70/455678870.db2.gz MVEBVXKHZLXEMB-GFCCVEGCSA-N 0 0 331.372 3.301 10 5 EGBERN C[C@@H]1CCC[C@H](Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248078771 455679231 /nfs/dbraw/zinc/67/92/31/455679231.db2.gz HZPHUBGSCUDUQB-DYEKYZERSA-N 0 0 345.399 3.485 10 5 EGBERN CCC[C@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278065414 455748710 /nfs/dbraw/zinc/74/87/10/455748710.db2.gz FPRNIUCJKZNALU-FQEVSTJZSA-N 0 0 338.407 3.375 10 5 EGBERN CCC(CC)(CCO)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271774513 455754913 /nfs/dbraw/zinc/75/49/13/455754913.db2.gz XZHAHRGPYBWRFW-ZDUSSCGKSA-N 0 0 337.420 3.144 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccnc(N4CCCC4)c3)nc2c1 ZINC000278175362 455777927 /nfs/dbraw/zinc/77/79/27/455777927.db2.gz BFEYVYMAHHTUHF-UHFFFAOYSA-N 0 0 338.371 3.078 10 5 EGBERN CCC[C@]1(CO)CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000278191665 455782830 /nfs/dbraw/zinc/78/28/30/455782830.db2.gz ROMCPTTWGIDWGM-QIXNEVBVSA-N 0 0 332.400 3.152 10 5 EGBERN Cn1nccc1C1=CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000285615842 455882991 /nfs/dbraw/zinc/88/29/91/455882991.db2.gz NBGWPJBULMCPKZ-UHFFFAOYSA-N 0 0 332.791 3.271 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(Cl)c1 ZINC000194844139 455890248 /nfs/dbraw/zinc/89/02/48/455890248.db2.gz WPLTZKLMYHWRAR-UHFFFAOYSA-N 0 0 333.775 3.314 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000187451085 455911858 /nfs/dbraw/zinc/91/18/58/455911858.db2.gz OHQJDJYTUAHOAW-UHFFFAOYSA-N 0 0 337.379 3.352 10 5 EGBERN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195031977 455915184 /nfs/dbraw/zinc/91/51/84/455915184.db2.gz DYTPDLWFFLZZRD-UHFFFAOYSA-N 0 0 340.383 3.459 10 5 EGBERN CC(C)(C)n1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000195194144 455930774 /nfs/dbraw/zinc/93/07/74/455930774.db2.gz HRUFQHLTNWGRNK-UHFFFAOYSA-N 0 0 327.344 3.280 10 5 EGBERN COc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000195227354 455934899 /nfs/dbraw/zinc/93/48/99/455934899.db2.gz FEXVBGMKSCSFBY-JTQLQIEISA-N 0 0 330.344 3.023 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000280304513 455941405 /nfs/dbraw/zinc/94/14/05/455941405.db2.gz WHUKPRPSGFGTFC-UHFFFAOYSA-N 0 0 345.403 3.283 10 5 EGBERN Cc1c(NCc2nccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280335165 455949715 /nfs/dbraw/zinc/94/97/15/455949715.db2.gz GHBNSMFKOUYRJU-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@H](O)C[C@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286077039 455972444 /nfs/dbraw/zinc/97/24/44/455972444.db2.gz AAWGRUSEHWAQKF-QWHCGFSZSA-N 0 0 345.399 3.232 10 5 EGBERN CC(=O)c1cc(NCc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000286095083 455976558 /nfs/dbraw/zinc/97/65/58/455976558.db2.gz DVYBJNLMCOJGBR-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000270729863 456026353 /nfs/dbraw/zinc/02/63/53/456026353.db2.gz CGCSEVAKDDRAAG-LLVKDONJSA-N 0 0 342.355 3.298 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000217215022 456032783 /nfs/dbraw/zinc/03/27/83/456032783.db2.gz ACDHWJHVRIBNEV-SJCJKPOMSA-N 0 0 346.408 3.115 10 5 EGBERN C[C@H](Oc1cccnc1[N+](=O)[O-])c1cc(F)ccc1-n1cccn1 ZINC000225227491 456075751 /nfs/dbraw/zinc/07/57/51/456075751.db2.gz RBCAFUWTOZNKBT-NSHDSACASA-N 0 0 328.303 3.455 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188677739 456111037 /nfs/dbraw/zinc/11/10/37/456111037.db2.gz HADLVCALQFTKNV-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CC(C)(C)c1nnc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000281120749 456139713 /nfs/dbraw/zinc/13/97/13/456139713.db2.gz GOMYRZODCUGQDV-UHFFFAOYSA-N 0 0 335.385 3.030 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000601113967 460716070 /nfs/dbraw/zinc/71/60/70/460716070.db2.gz KVHROEXBRMPUMS-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C12CCC2 ZINC000601119719 460717578 /nfs/dbraw/zinc/71/75/78/460717578.db2.gz VVZQQOUZVMXPAB-RKDXNWHRSA-N 0 0 348.325 3.107 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000301661710 456177105 /nfs/dbraw/zinc/17/71/05/456177105.db2.gz MUKGOQHFSZHYBT-HVKBOFLBSA-N 0 0 346.383 3.151 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301750846 456205796 /nfs/dbraw/zinc/20/57/96/456205796.db2.gz URTGMOYVUNNGSR-GWCFXTLKSA-N 0 0 344.396 3.132 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C)[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000297471818 456229271 /nfs/dbraw/zinc/22/92/71/456229271.db2.gz DCVITVFVBMMHSY-DCGLDWPTSA-N 0 0 343.383 3.077 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3cccc(Br)c3)nn21 ZINC000301892101 456243206 /nfs/dbraw/zinc/24/32/06/456243206.db2.gz AAJOOYFQUHJAKN-UHFFFAOYSA-N 0 0 348.160 3.012 10 5 EGBERN C[C@H]1CCCCN1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893485 456243278 /nfs/dbraw/zinc/24/32/78/456243278.db2.gz PBOUONRTEILZMD-JTQLQIEISA-N 0 0 343.225 3.039 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281486586 456247109 /nfs/dbraw/zinc/24/71/09/456247109.db2.gz WYDWMHLPQGVJMQ-OAHLLOKOSA-N 0 0 329.360 3.087 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297577409 456257425 /nfs/dbraw/zinc/25/74/25/456257425.db2.gz LSJUHGYBVZPBLP-MAZHCROVSA-N 0 0 349.431 3.094 10 5 EGBERN COC(=O)c1cc(N[C@H]2CC(C)(C)OC2(C)C)cc(C)c1[N+](=O)[O-] ZINC000302018300 456270145 /nfs/dbraw/zinc/27/01/45/456270145.db2.gz CURIBGUZNPDWIL-ZDUSSCGKSA-N 0 0 336.388 3.448 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297702544 456277297 /nfs/dbraw/zinc/27/72/97/456277297.db2.gz MRJWVJBLSLYXAL-UHFFFAOYSA-N 0 0 343.261 3.183 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C(C)=O)cc2)c1 ZINC000302060334 456277587 /nfs/dbraw/zinc/27/75/87/456277587.db2.gz BJIHFDPOKMYKSZ-UHFFFAOYSA-N 0 0 343.339 3.108 10 5 EGBERN CCc1nn(C)c(NCCc2c[nH]c3cccc(OC)c23)c1[N+](=O)[O-] ZINC000302075227 456280731 /nfs/dbraw/zinc/28/07/31/456280731.db2.gz VVJOOAZSOXWKIZ-UHFFFAOYSA-N 0 0 343.387 3.035 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297744982 456285865 /nfs/dbraw/zinc/28/58/65/456285865.db2.gz LDNWNBNMJQWMSO-RKDXNWHRSA-N 0 0 332.282 3.185 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ccnn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000297941373 456329384 /nfs/dbraw/zinc/32/93/84/456329384.db2.gz VKFVUDAXBQAMCL-UHFFFAOYSA-N 0 0 343.261 3.190 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(C(F)(F)F)CC1 ZINC000342952344 456334650 /nfs/dbraw/zinc/33/46/50/456334650.db2.gz OMLIXYJENJJSJB-UHFFFAOYSA-N 0 0 332.278 3.066 10 5 EGBERN CC(C)(CCC(=O)Oc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000297976741 456336838 /nfs/dbraw/zinc/33/68/38/456336838.db2.gz XRIVGPQEBAMQDI-UHFFFAOYSA-N 0 0 334.141 3.329 10 5 EGBERN C[C@@H](O)C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000290518440 456350839 /nfs/dbraw/zinc/35/08/39/456350839.db2.gz CCHLSCAGXFOPIO-TZMCWYRMSA-N 0 0 340.383 3.438 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000601143471 460729664 /nfs/dbraw/zinc/72/96/64/460729664.db2.gz DYELMRLCJJYIBF-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN CCOc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601148371 460730914 /nfs/dbraw/zinc/73/09/14/460730914.db2.gz AHKILEGKIVRNEZ-GOSISDBHSA-N 0 0 348.374 3.130 10 5 EGBERN Cc1nc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282012762 456389749 /nfs/dbraw/zinc/38/97/49/456389749.db2.gz VGLKOFPJIDKFGI-CQSZACIVSA-N 0 0 341.415 3.215 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000347833512 456392163 /nfs/dbraw/zinc/39/21/63/456392163.db2.gz PYRQJNQHVJEYQG-GFCCVEGCSA-N 0 0 327.331 3.014 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000347842138 456399537 /nfs/dbraw/zinc/39/95/37/456399537.db2.gz GCUISBLPDCBVFD-MNOVXSKESA-N 0 0 346.305 3.163 10 5 EGBERN COC(=O)c1cnc(N[C@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000302785698 456399802 /nfs/dbraw/zinc/39/98/02/456399802.db2.gz VRIYJCLZPBWCNE-SECBINFHSA-N 0 0 349.318 3.097 10 5 EGBERN O=C1CCCN1c1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302794228 456402388 /nfs/dbraw/zinc/40/23/88/456402388.db2.gz IDXPIMUDSDRHOJ-UHFFFAOYSA-N 0 0 329.331 3.473 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ncccc2Cl)CC1 ZINC000302819823 456409875 /nfs/dbraw/zinc/40/98/75/456409875.db2.gz ORYTVBSHEOKXTN-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)CC(=O)N3C)c1 ZINC000302842660 456415966 /nfs/dbraw/zinc/41/59/66/456415966.db2.gz DSMRQLPITXWPQU-UHFFFAOYSA-N 0 0 331.303 3.005 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccnc(OC(F)F)c1 ZINC000343145255 456433123 /nfs/dbraw/zinc/43/31/23/456433123.db2.gz UTWWVSHKOCWJFS-UHFFFAOYSA-N 0 0 346.293 3.173 10 5 EGBERN Cc1c(CC(=O)N[C@@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000340400373 456437258 /nfs/dbraw/zinc/43/72/58/456437258.db2.gz IFTFPVVCZPLAHV-GOSISDBHSA-N 0 0 325.368 3.108 10 5 EGBERN COCc1csc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000340403511 456438865 /nfs/dbraw/zinc/43/88/65/456438865.db2.gz MZEPAIMBLDDOIS-UHFFFAOYSA-N 0 0 335.385 3.114 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000348046076 456442528 /nfs/dbraw/zinc/44/25/28/456442528.db2.gz MIJPXOYSQQUSPP-MRXNPFEDSA-N 0 0 336.363 3.155 10 5 EGBERN COc1cccc(NCc2ccn(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000343162802 456445150 /nfs/dbraw/zinc/44/51/50/456445150.db2.gz RDNFIRKGTISSEM-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000343226341 456466473 /nfs/dbraw/zinc/46/64/73/456466473.db2.gz QNOCSMQPGMQEJK-CQSZACIVSA-N 0 0 336.342 3.395 10 5 EGBERN CSc1cccc(F)c1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000343237877 456473992 /nfs/dbraw/zinc/47/39/92/456473992.db2.gz XLBMEUWMPLZGDA-UHFFFAOYSA-N 0 0 332.360 3.366 10 5 EGBERN CCOc1ccc(C(=O)N=c2cc(C)n([C@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000343248234 456481056 /nfs/dbraw/zinc/48/10/56/456481056.db2.gz JAPZDGIAIVBUSB-LLVKDONJSA-N 0 0 346.387 3.144 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1ccccc1)C(F)(F)F ZINC000343283954 456507232 /nfs/dbraw/zinc/50/72/32/456507232.db2.gz UJYNQADIDOIXIN-CYBMUJFWSA-N 0 0 341.289 3.309 10 5 EGBERN COC(=O)C[C@](C)(NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000353151066 456523364 /nfs/dbraw/zinc/52/33/64/456523364.db2.gz FFYUUXDORVDSMZ-SFHVURJKSA-N 0 0 346.358 3.302 10 5 EGBERN CCOc1cc(NC(=O)N[C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000348225742 456547719 /nfs/dbraw/zinc/54/77/19/456547719.db2.gz BGRJHSNYMXZFRZ-MNOVXSKESA-N 0 0 337.376 3.312 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(-c3ccccc3)on1)CC2 ZINC000348323772 456623639 /nfs/dbraw/zinc/62/36/39/456623639.db2.gz SMQILWPQJACUBJ-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN COc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000348342659 456635820 /nfs/dbraw/zinc/63/58/20/456635820.db2.gz BSYWETCYGGSWGB-UHFFFAOYSA-N 0 0 345.399 3.466 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2noc(C3CC3)n2)cc1OC(F)F ZINC000343463166 456638985 /nfs/dbraw/zinc/63/89/85/456638985.db2.gz LJHHFIFKMJHARS-UHFFFAOYSA-N 0 0 326.259 3.069 10 5 EGBERN O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759534 456671627 /nfs/dbraw/zinc/67/16/27/456671627.db2.gz SPYZLPXESJNBSH-LSDHHAIUSA-N 0 0 340.420 3.220 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)COc2ccccc2)c([N+](=O)[O-])c1 ZINC000348417015 456676629 /nfs/dbraw/zinc/67/66/29/456676629.db2.gz CFHGLSHBVVAAKD-LBPRGKRZSA-N 0 0 330.340 3.257 10 5 EGBERN Cc1cc(N2CCCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299397533 456680139 /nfs/dbraw/zinc/68/01/39/456680139.db2.gz WRTLMHBLABDEGL-UHFFFAOYSA-N 0 0 330.413 3.304 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(OC)cc2)c1 ZINC000326415740 456693391 /nfs/dbraw/zinc/69/33/91/456693391.db2.gz LTFHWGIUSZXCRP-UHFFFAOYSA-N 0 0 330.340 3.026 10 5 EGBERN C[C@H](Nc1ccc(C(=O)N2CC(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000338195711 456698209 /nfs/dbraw/zinc/69/82/09/456698209.db2.gz OTNBRROPEMGOTN-ZDUSSCGKSA-N 0 0 340.383 3.255 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000338206495 456706308 /nfs/dbraw/zinc/70/63/08/456706308.db2.gz NPXFEPPPOLDICV-UHFFFAOYSA-N 0 0 341.367 3.294 10 5 EGBERN COc1cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000348575201 456774753 /nfs/dbraw/zinc/77/47/53/456774753.db2.gz LTYZSUYLKFQTLY-JTQLQIEISA-N 0 0 334.376 3.135 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301241717 456830819 /nfs/dbraw/zinc/83/08/19/456830819.db2.gz JYLMPXBMIOCABK-APPDUMDISA-N 0 0 325.368 3.300 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000277489150 456842872 /nfs/dbraw/zinc/84/28/72/456842872.db2.gz XAJZOJAHRJRKHZ-CXAGYDPISA-N 0 0 328.368 3.455 10 5 EGBERN Nc1c(C(=O)NCC2CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000338684902 456851920 /nfs/dbraw/zinc/85/19/20/456851920.db2.gz XGTNMKOAXZTXLX-UHFFFAOYSA-N 0 0 325.368 3.101 10 5 EGBERN CCCc1nc(C)c(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)o1 ZINC000292153020 456869162 /nfs/dbraw/zinc/86/91/62/456869162.db2.gz CKDMELGXUXOXIP-UHFFFAOYSA-N 0 0 343.343 3.105 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356469304 457004894 /nfs/dbraw/zinc/00/48/94/457004894.db2.gz DYGSJTKRHOJAOK-SJLPKXTDSA-N 0 0 326.352 3.063 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000349793855 457055189 /nfs/dbraw/zinc/05/51/89/457055189.db2.gz XLJVWKQZQVPCBU-UHFFFAOYSA-N 0 0 333.294 3.131 10 5 EGBERN CCOc1cc(NCc2cc(OC)c(O)c(OC)c2)ccc1[N+](=O)[O-] ZINC000356582393 457067261 /nfs/dbraw/zinc/06/72/61/457067261.db2.gz CWGXGTAITZKRQA-UHFFFAOYSA-N 0 0 348.355 3.328 10 5 EGBERN COC(=O)c1cc(NCc2ccc(C)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000362761534 457082583 /nfs/dbraw/zinc/08/25/83/457082583.db2.gz ZHBUFOCMSCEMAG-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000359706050 457121110 /nfs/dbraw/zinc/12/11/10/457121110.db2.gz KWRMZGYYYUZKIO-ONGXEEELSA-N 0 0 345.321 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(Cc2cccs2)CC1 ZINC000349971365 457127390 /nfs/dbraw/zinc/12/73/90/457127390.db2.gz JIWHWTHODDGEIG-UHFFFAOYSA-N 0 0 331.441 3.283 10 5 EGBERN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000349973183 457128086 /nfs/dbraw/zinc/12/80/86/457128086.db2.gz LBFBBQVCOQXTQV-AWEZNQCLSA-N 0 0 327.375 3.065 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc[nH]n1 ZINC000346729801 457134421 /nfs/dbraw/zinc/13/44/21/457134421.db2.gz BYSXAUAPHAXFNK-UHFFFAOYSA-N 0 0 348.428 3.482 10 5 EGBERN CCC(=O)c1ccc(NCc2c3c(nn2C)CCCC3)c([N+](=O)[O-])c1 ZINC000359981626 457184579 /nfs/dbraw/zinc/18/45/79/457184579.db2.gz QXVQMHMSKJNRFQ-UHFFFAOYSA-N 0 0 342.399 3.412 10 5 EGBERN C[C@H]1COCC[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000346884152 457187708 /nfs/dbraw/zinc/18/77/08/457187708.db2.gz QLQQZXSFQSODQT-GWCFXTLKSA-N 0 0 342.355 3.190 10 5 EGBERN CSCC[C@H](C)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342263088 457197165 /nfs/dbraw/zinc/19/71/65/457197165.db2.gz JJPIEYWIHDQFDI-VIFPVBQESA-N 0 0 332.372 3.016 10 5 EGBERN COC(=O)c1cc(NC(=O)CC2(C(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000342266874 457199565 /nfs/dbraw/zinc/19/95/65/457199565.db2.gz MHOIPUQYUORAKE-UHFFFAOYSA-N 0 0 346.261 3.053 10 5 EGBERN Cc1cc(N[C@@H]2CCCN(c3cccnc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000360048889 457224439 /nfs/dbraw/zinc/22/44/39/457224439.db2.gz ZMTPKLLQCMRYNA-CQSZACIVSA-N 0 0 344.346 3.045 10 5 EGBERN CCC1(CC)CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[S@@]1=O ZINC000360066211 457234848 /nfs/dbraw/zinc/23/48/48/457234848.db2.gz NZGGAMOLSGRGCC-QFIPXVFZSA-N 0 0 328.409 3.170 10 5 EGBERN COC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342339202 457244740 /nfs/dbraw/zinc/24/47/40/457244740.db2.gz HHOKGQCIDNEBOO-OAHLLOKOSA-N 0 0 334.347 3.220 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000347175261 457272788 /nfs/dbraw/zinc/27/27/88/457272788.db2.gz YSRFMJZYAADFIT-ZDUSSCGKSA-N 0 0 335.404 3.271 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340025889 457322831 /nfs/dbraw/zinc/32/28/31/457322831.db2.gz VUGPMEJLBDSUFG-NWDGAFQWSA-N 0 0 339.417 3.171 10 5 EGBERN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000360732343 457328556 /nfs/dbraw/zinc/32/85/56/457328556.db2.gz KMUJMGHODAUHKY-CQSZACIVSA-N 0 0 346.387 3.043 10 5 EGBERN C[C@@H](N(Cc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000347367598 457378273 /nfs/dbraw/zinc/37/82/73/457378273.db2.gz JDMDNHNBPMYWAW-CYBMUJFWSA-N 0 0 344.415 3.405 10 5 EGBERN Cc1cc(=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000342626966 457414327 /nfs/dbraw/zinc/41/43/27/457414327.db2.gz FYIBIYNNTBJANB-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN Cc1c(Br)c(NCCCC(C)(F)F)ncc1[N+](=O)[O-] ZINC000390078473 457434919 /nfs/dbraw/zinc/43/49/19/457434919.db2.gz ZGCUXFZMNDXFBD-UHFFFAOYSA-N 0 0 338.152 3.330 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCCC(F)(F)C1 ZINC000342661794 457437056 /nfs/dbraw/zinc/43/70/56/457437056.db2.gz KVIKJHBXFTXTFV-MRVPVSSYSA-N 0 0 334.269 3.110 10 5 EGBERN COc1cc(CN2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000352525819 457440468 /nfs/dbraw/zinc/44/04/68/457440468.db2.gz ITGVWFZGWANENO-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(Cc3c[nH]c4ccccc34)n2)nc1 ZINC000357324932 457446815 /nfs/dbraw/zinc/44/68/15/457446815.db2.gz ATFULKYUCNYFFI-UHFFFAOYSA-N 0 0 335.323 3.036 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](C)c1cccnc1 ZINC000356108964 457453563 /nfs/dbraw/zinc/45/35/63/457453563.db2.gz JYCFXGDUIIDDNY-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])c(OC)c1)CCO2 ZINC000352545980 457456408 /nfs/dbraw/zinc/45/64/08/457456408.db2.gz NYRBDSDTAAVYAE-UHFFFAOYSA-N 0 0 330.340 3.011 10 5 EGBERN CC1CCC(C)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000357356720 457470398 /nfs/dbraw/zinc/47/03/98/457470398.db2.gz UVOVAPCNFRIDSW-UHFFFAOYSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1nn(CCC(=O)NCC2(C)CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000357382592 457483739 /nfs/dbraw/zinc/48/37/39/457483739.db2.gz RQJQUSGSMJCCFS-UHFFFAOYSA-N 0 0 336.436 3.131 10 5 EGBERN COc1c(C(=O)N[C@@H](C)CCc2ccc(C)o2)cccc1[N+](=O)[O-] ZINC000356204816 457530421 /nfs/dbraw/zinc/53/04/21/457530421.db2.gz XIVCTMZRTKQQLE-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCc2ccccc21 ZINC000404739577 457547752 /nfs/dbraw/zinc/54/77/52/457547752.db2.gz OBPRJLRWSAQUNA-LLVKDONJSA-N 0 0 343.358 3.118 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425439403 457554476 /nfs/dbraw/zinc/55/44/76/457554476.db2.gz BOERMXKYQSWIRU-FUHWJXTLSA-N 0 0 343.358 3.074 10 5 EGBERN CO[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000425450988 457559616 /nfs/dbraw/zinc/55/96/16/457559616.db2.gz VGZPSWAKEMGFCN-HZMBPMFUSA-N 0 0 343.221 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)(C2CC2)CC1 ZINC000352727633 457563829 /nfs/dbraw/zinc/56/38/29/457563829.db2.gz SHCQJCUSMQCKCN-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN C[C@H]1c2ccccc2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361072966 457564847 /nfs/dbraw/zinc/56/48/47/457564847.db2.gz KUJVGWDHPJQFFY-ZDUSSCGKSA-N 0 0 337.379 3.061 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000408396602 457568129 /nfs/dbraw/zinc/56/81/29/457568129.db2.gz QJMVTOVDUXKSEH-MPEURRAXSA-N 0 0 332.404 3.092 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000374287144 457569963 /nfs/dbraw/zinc/56/99/63/457569963.db2.gz JPOBKXWBXCOIBX-GOSISDBHSA-N 0 0 343.358 3.318 10 5 EGBERN COc1ccnc(N(C)C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000425618247 457614346 /nfs/dbraw/zinc/61/43/46/457614346.db2.gz JGDDADSRJZOZBA-UHFFFAOYSA-N 0 0 329.356 3.200 10 5 EGBERN CCC(CC)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000361181377 457633267 /nfs/dbraw/zinc/63/32/67/457633267.db2.gz LPCGXANPLJAWPI-UHFFFAOYSA-N 0 0 342.399 3.259 10 5 EGBERN Cc1cc(-c2nc(-c3ncccc3-n3cccn3)no2)ccc1[N+](=O)[O-] ZINC000361193849 457640856 /nfs/dbraw/zinc/64/08/56/457640856.db2.gz KUIYSMPJYFSEJE-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2NC)cc1F ZINC000361213996 457648285 /nfs/dbraw/zinc/64/82/85/457648285.db2.gz UILIRFGZTCYAKS-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC12CCOCC2 ZINC000364604404 457655873 /nfs/dbraw/zinc/65/58/73/457655873.db2.gz JYOCJFLFHJOHAC-UHFFFAOYSA-N 0 0 344.289 3.009 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2c2cccnc2)cc(C)c1[N+](=O)[O-] ZINC000370537226 457668988 /nfs/dbraw/zinc/66/89/88/457668988.db2.gz BVILJVCHJJWVLN-MRXNPFEDSA-N 0 0 341.367 3.426 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374718261 457693205 /nfs/dbraw/zinc/69/32/05/457693205.db2.gz SOUZPAGSWKLHFY-OAHLLOKOSA-N 0 0 340.383 3.395 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCOC[C@H]1c1ccco1 ZINC000365024673 457724474 /nfs/dbraw/zinc/72/44/74/457724474.db2.gz CMGDTAOGAYXEKQ-HNNXBMFYSA-N 0 0 325.324 3.314 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc2[nH]ccc21 ZINC000425971479 457749982 /nfs/dbraw/zinc/74/99/82/457749982.db2.gz PRNJBYVKRXYRMH-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N(C)c2cccnc2C)cc1SC ZINC000411015270 457778385 /nfs/dbraw/zinc/77/83/85/457778385.db2.gz MHZKKRYAGCAONW-UHFFFAOYSA-N 0 0 347.396 3.305 10 5 EGBERN CCNc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000411037837 457782092 /nfs/dbraw/zinc/78/20/92/457782092.db2.gz SQRLMLIVBKRTAU-MOMAJJCNSA-N 0 0 341.411 3.311 10 5 EGBERN CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443759675 457810088 /nfs/dbraw/zinc/81/00/88/457810088.db2.gz HXCWVSKIKYWCKX-CZUORRHYSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1cc(C)cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426747814 457892646 /nfs/dbraw/zinc/89/26/46/457892646.db2.gz RYMWCMUJDPZXAZ-KRWDZBQOSA-N 0 0 328.368 3.436 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000427388376 457981917 /nfs/dbraw/zinc/98/19/17/457981917.db2.gz AMTXHUQKNGUTQE-OAHLLOKOSA-N 0 0 346.362 3.140 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000368776550 458057483 /nfs/dbraw/zinc/05/74/83/458057483.db2.gz FHPOKEKWGFNMGF-LLVKDONJSA-N 0 0 336.344 3.357 10 5 EGBERN C/C(=C/c1ccc(C)cc1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445585284 458066928 /nfs/dbraw/zinc/06/69/28/458066928.db2.gz VYHVMCHVUCHKKO-FLIBITNWSA-N 0 0 325.328 3.247 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000458510213 458075521 /nfs/dbraw/zinc/07/55/21/458075521.db2.gz PHNANXONSSTAOD-ARFHVFGLSA-N 0 0 347.415 3.303 10 5 EGBERN COCc1cccc(OCC2(Cn3cnc([N+](=O)[O-])c3)CCC2)c1 ZINC000358556842 458075715 /nfs/dbraw/zinc/07/57/15/458075715.db2.gz RHIOBVJXVRXFQU-UHFFFAOYSA-N 0 0 331.372 3.187 10 5 EGBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000428100796 458079614 /nfs/dbraw/zinc/07/96/14/458079614.db2.gz QUODGIYKUZKWCI-IWIIMEHWSA-N 0 0 344.289 3.064 10 5 EGBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428103060 458079871 /nfs/dbraw/zinc/07/98/71/458079871.db2.gz MUQHKQPVEPZEHR-IMRBUKKESA-N 0 0 329.381 3.247 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412211753 458129715 /nfs/dbraw/zinc/12/97/15/458129715.db2.gz BPXNTMIFEUVZKL-WMZOPIPTSA-N 0 0 328.343 3.138 10 5 EGBERN COc1cccc(C(=O)N[C@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000435531945 458159602 /nfs/dbraw/zinc/15/96/02/458159602.db2.gz CPPBQLKZEONEOJ-AWEZNQCLSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](O)C1CCCCC1 ZINC000446180321 458160693 /nfs/dbraw/zinc/16/06/93/458160693.db2.gz VJKPOKWJNBIXKT-AWEZNQCLSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccc(O)cc1 ZINC000446227711 458165022 /nfs/dbraw/zinc/16/50/22/458165022.db2.gz PYDMWMKTFAYUOH-UHFFFAOYSA-N 0 0 334.759 3.235 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C(C)C)C1 ZINC000446273502 458171149 /nfs/dbraw/zinc/17/11/49/458171149.db2.gz ASBXAGQARHXKKY-ZDUSSCGKSA-N 0 0 326.780 3.054 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000446339933 458179360 /nfs/dbraw/zinc/17/93/60/458179360.db2.gz GRLYCTLPOXTVDH-SNVBAGLBSA-N 0 0 341.205 3.475 10 5 EGBERN C[C@@]12CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000412362067 458181401 /nfs/dbraw/zinc/18/14/01/458181401.db2.gz UHFSFJJEFPXYBG-KNCOVGOOSA-N 0 0 336.338 3.202 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2cccnc2n1C ZINC000446420988 458188375 /nfs/dbraw/zinc/18/83/75/458188375.db2.gz ZDPOOBHKWSJNQO-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000362482514 458208754 /nfs/dbraw/zinc/20/87/54/458208754.db2.gz GLRDFJVUYFTBMJ-HZPDHXFCSA-N 0 0 332.400 3.371 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000362538115 458253863 /nfs/dbraw/zinc/25/38/63/458253863.db2.gz QUQCNLMBCBBGCM-UHFFFAOYSA-N 0 0 338.323 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)c1C ZINC000436187918 458266715 /nfs/dbraw/zinc/26/67/15/458266715.db2.gz ZQVVSISJDNBHML-PWSUYJOCSA-N 0 0 326.418 3.021 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C2CCOCC2)CC1 ZINC000376456589 458305633 /nfs/dbraw/zinc/30/56/33/458305633.db2.gz WEGIZALDKQGCFO-UHFFFAOYSA-N 0 0 332.400 3.440 10 5 EGBERN COc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2n1 ZINC000447671429 458328251 /nfs/dbraw/zinc/32/82/51/458328251.db2.gz QFJQRVMFHCRPST-UHFFFAOYSA-N 0 0 349.350 3.062 10 5 EGBERN COc1cc(Cl)ccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447677984 458328637 /nfs/dbraw/zinc/32/86/37/458328637.db2.gz XHISAVJDDAKAGH-UHFFFAOYSA-N 0 0 332.747 3.167 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3ccncc3C)CC2)n1 ZINC000447680510 458329045 /nfs/dbraw/zinc/32/90/45/458329045.db2.gz OTNVBWHOEFGZJK-UHFFFAOYSA-N 0 0 342.399 3.358 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1nc(C)ccc1[N+](=O)[O-])CC2 ZINC000372878444 458338386 /nfs/dbraw/zinc/33/83/86/458338386.db2.gz NNXNKGHTVRSYLA-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1Cc2ccc(Cl)cc2C1 ZINC000459763997 458471735 /nfs/dbraw/zinc/47/17/35/458471735.db2.gz NFTFXSAWGKKUTE-HNNXBMFYSA-N 0 0 348.786 3.004 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000460502226 458522302 /nfs/dbraw/zinc/52/23/02/458522302.db2.gz VRCWHIVOZOYIMV-HIFRSBDPSA-N 0 0 346.333 3.335 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000460519914 458523070 /nfs/dbraw/zinc/52/30/70/458523070.db2.gz PKXIUOQLZRAKPT-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C[C@H]1C1CC1 ZINC000431144062 458535126 /nfs/dbraw/zinc/53/51/26/458535126.db2.gz QAPNLNCURJHGIW-DLBZAZTESA-N 0 0 332.403 3.069 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000373815561 458610758 /nfs/dbraw/zinc/61/07/58/458610758.db2.gz OLKDFRDQHKQHFF-CYBMUJFWSA-N 0 0 347.396 3.176 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000462498623 458626186 /nfs/dbraw/zinc/62/61/86/458626186.db2.gz BUJVFEYUMTXXKN-ZIAGYGMSSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439309291 458688151 /nfs/dbraw/zinc/68/81/51/458688151.db2.gz FQDZNHSKNUTCEJ-ZIAGYGMSSA-N 0 0 333.388 3.184 10 5 EGBERN CN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000456586006 458721904 /nfs/dbraw/zinc/72/19/04/458721904.db2.gz ALPXGZIHBQDDCX-QGZVFWFLSA-N 0 0 339.395 3.225 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000494675416 458726208 /nfs/dbraw/zinc/72/62/08/458726208.db2.gz ULSAKYVDJRPQPG-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](c2nc[nH]n2)c2ccccc2)ccc2ncccc21 ZINC000547958878 458814410 /nfs/dbraw/zinc/81/44/10/458814410.db2.gz OSAQYQMVGLQXEF-INIZCTEOSA-N 0 0 346.350 3.463 10 5 EGBERN CCOc1ncccc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000440713334 458845676 /nfs/dbraw/zinc/84/56/76/458845676.db2.gz BSUXSIVFWITDAG-UHFFFAOYSA-N 0 0 345.355 3.096 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000474388967 458881918 /nfs/dbraw/zinc/88/19/18/458881918.db2.gz CYQUDNNUAAKYMO-MXWKQRLJSA-N 0 0 346.836 3.303 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000441187702 458897326 /nfs/dbraw/zinc/89/73/26/458897326.db2.gz HVHKDLYDAXCAJJ-NOLJZWGESA-N 0 0 335.404 3.221 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000555898599 458917966 /nfs/dbraw/zinc/91/79/66/458917966.db2.gz VRHLGVPMUBPOSQ-HNNXBMFYSA-N 0 0 341.367 3.209 10 5 EGBERN CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000519574624 458965473 /nfs/dbraw/zinc/96/54/73/458965473.db2.gz LTZZADQXZDUQFJ-UHFFFAOYSA-N 0 0 330.388 3.203 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000476150572 458982699 /nfs/dbraw/zinc/98/26/99/458982699.db2.gz JOIZBMDZSKHSER-OAHLLOKOSA-N 0 0 342.351 3.084 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000467698880 458982745 /nfs/dbraw/zinc/98/27/45/458982745.db2.gz CGJAOZXRGVOORK-SHTZXODSSA-N 0 0 339.395 3.378 10 5 EGBERN C[C@H](O)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000519704876 458990681 /nfs/dbraw/zinc/99/06/81/458990681.db2.gz JVBGXKIWVHVJBG-PRXAMGSTSA-N 0 0 346.358 3.076 10 5 EGBERN CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878144 458992635 /nfs/dbraw/zinc/99/26/35/458992635.db2.gz IBKSWPHUPFAAGE-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000531883124 458994195 /nfs/dbraw/zinc/99/41/95/458994195.db2.gz PUNIKTLACIZXFD-UHFFFAOYSA-N 0 0 333.775 3.351 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467987401 458994588 /nfs/dbraw/zinc/99/45/88/458994588.db2.gz AQFQWGJSCHQBAH-UHFFFAOYSA-N 0 0 332.787 3.458 10 5 EGBERN CC(C)n1cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2n1 ZINC000532014138 459017590 /nfs/dbraw/zinc/01/75/90/459017590.db2.gz QXTUFJJGIHESLO-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccccc1[N+](=O)[O-] ZINC000442803729 459039910 /nfs/dbraw/zinc/03/99/10/459039910.db2.gz XGFGPAMICMSMSP-UHFFFAOYSA-N 0 0 342.229 3.451 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncccc1Cl ZINC000557102774 459048173 /nfs/dbraw/zinc/04/81/73/459048173.db2.gz CXRAVCGJWPKOGR-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN CCc1ccc([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000590061518 459075289 /nfs/dbraw/zinc/07/52/89/459075289.db2.gz ZBCDOWVIPYIBOE-HNNXBMFYSA-N 0 0 341.411 3.226 10 5 EGBERN COc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594521319 459078531 /nfs/dbraw/zinc/07/85/31/459078531.db2.gz UCNWRAHLUGLPLI-FZMZJTMJSA-N 0 0 348.321 3.193 10 5 EGBERN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532394134 459080359 /nfs/dbraw/zinc/08/03/59/459080359.db2.gz LZCLSQCHNFKOIO-UHFFFAOYSA-N 0 0 348.746 3.244 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@H](c2ccccc2F)C1 ZINC000594549119 459087303 /nfs/dbraw/zinc/08/73/03/459087303.db2.gz XTHLPISSJOLVRO-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CC3)[C@H]3CCCCO3)cc2N1 ZINC000594589977 459101011 /nfs/dbraw/zinc/10/10/11/459101011.db2.gz HCHKTXKSHVRPPU-AEFFLSMTSA-N 0 0 345.399 3.239 10 5 EGBERN COC(=O)Cc1ccc(NC[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000594597814 459103060 /nfs/dbraw/zinc/10/30/60/459103060.db2.gz BDINJSDGCZPDBI-CQSZACIVSA-N 0 0 348.399 3.214 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC12CCOCC2 ZINC000590290869 459109870 /nfs/dbraw/zinc/10/98/70/459109870.db2.gz DJSWATRIZIWXRU-UHFFFAOYSA-N 0 0 344.289 3.009 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590401270 459125051 /nfs/dbraw/zinc/12/50/51/459125051.db2.gz JZHDCIQOFLQXDI-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590436763 459130558 /nfs/dbraw/zinc/13/05/58/459130558.db2.gz BNSFLLIHSQJZGI-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594711171 459136020 /nfs/dbraw/zinc/13/60/20/459136020.db2.gz JKJYLOQKXZDQPJ-LBPRGKRZSA-N 0 0 341.367 3.107 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713176 459137581 /nfs/dbraw/zinc/13/75/81/459137581.db2.gz UGSRLGASWLDMJS-WDEREUQCSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000567645979 459138774 /nfs/dbraw/zinc/13/87/74/459138774.db2.gz CAEGZCXMCGJOGA-LBPRGKRZSA-N 0 0 325.324 3.215 10 5 EGBERN Cn1c(CO)nnc1SCc1nc2ccccc2c2ccccc12 ZINC000533201993 459199766 /nfs/dbraw/zinc/19/97/66/459199766.db2.gz RCYNLIDRNTYCJU-UHFFFAOYSA-N 0 0 336.420 3.301 10 5 EGBERN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CCOCC2)n1 ZINC000594979930 459203992 /nfs/dbraw/zinc/20/39/92/459203992.db2.gz MRYMFILFSJYXFI-SDNWHVSQSA-N 0 0 342.399 3.080 10 5 EGBERN COC(=O)c1cc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c(C)o1 ZINC000533391644 459229613 /nfs/dbraw/zinc/22/96/13/459229613.db2.gz BSFDRELSYOGBPK-UHFFFAOYSA-N 0 0 333.296 3.064 10 5 EGBERN CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000481356899 459247694 /nfs/dbraw/zinc/24/76/94/459247694.db2.gz DLKCWGCZADRULA-UHFFFAOYSA-N 0 0 334.463 3.492 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288083 459267270 /nfs/dbraw/zinc/26/72/70/459267270.db2.gz YEBRZQCUKKGNNT-CQSZACIVSA-N 0 0 347.371 3.246 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(-c3cccs3)no1)C2 ZINC000533796641 459268798 /nfs/dbraw/zinc/26/87/98/459268798.db2.gz NDVZDFZFGHIXNN-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595465794 459312434 /nfs/dbraw/zinc/31/24/34/459312434.db2.gz IGAOIMQNXRGQTH-INIZCTEOSA-N 0 0 339.395 3.466 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000595532451 459335916 /nfs/dbraw/zinc/33/59/16/459335916.db2.gz WEZSOZOTNXGWCD-AEFFLSMTSA-N 0 0 348.349 3.034 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000591319868 459354042 /nfs/dbraw/zinc/35/40/42/459354042.db2.gz JDKVHYHXIVXTNG-GUOLPTJISA-N 0 0 346.412 3.478 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](O)CC23CCC3)cc1C(F)(F)F ZINC000591464203 459387836 /nfs/dbraw/zinc/38/78/36/459387836.db2.gz KMJJTBBXLUIWLC-NSHDSACASA-N 0 0 330.306 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000591513797 459394498 /nfs/dbraw/zinc/39/44/98/459394498.db2.gz DNJAJHCSEZXBRN-GWCFXTLKSA-N 0 0 346.305 3.003 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595704883 459405398 /nfs/dbraw/zinc/40/53/98/459405398.db2.gz RNGFDWFOBKRINV-MRXNPFEDSA-N 0 0 344.342 3.468 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC1(CCO)CCCC1 ZINC000582690905 459409304 /nfs/dbraw/zinc/40/93/04/459409304.db2.gz BPKDCXSLZWRAJZ-UHFFFAOYSA-N 0 0 329.194 3.464 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000484567648 459419841 /nfs/dbraw/zinc/41/98/41/459419841.db2.gz NZCHOKOYDGQFIZ-DOTOQJQBSA-N 0 0 342.395 3.436 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595753338 459425325 /nfs/dbraw/zinc/42/53/25/459425325.db2.gz TWMWRDVPEJRORF-SUMWQHHRSA-N 0 0 339.395 3.465 10 5 EGBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])c3ncccc23)c(C)o1 ZINC000569290047 459425822 /nfs/dbraw/zinc/42/58/22/459425822.db2.gz NBPFKHJFQBLTSK-UHFFFAOYSA-N 0 0 342.307 3.410 10 5 EGBERN CC[C@@H](C)n1nc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1C ZINC000541113734 459428628 /nfs/dbraw/zinc/42/86/28/459428628.db2.gz STKCMDZDFHAQAK-SNVBAGLBSA-N 0 0 332.360 3.023 10 5 EGBERN CC(C)(NC(=O)c1cc(-c2ccoc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000561698021 459474680 /nfs/dbraw/zinc/47/46/80/459474680.db2.gz SATIPYYBFPDZFA-UHFFFAOYSA-N 0 0 340.339 3.243 10 5 EGBERN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889971 459477007 /nfs/dbraw/zinc/47/70/07/459477007.db2.gz JZJYXDSUAGYFQI-NWDGAFQWSA-N 0 0 348.321 3.015 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595910719 459482753 /nfs/dbraw/zinc/48/27/53/459482753.db2.gz QVZUGIHJLHHDPI-CALCHBBNSA-N 0 0 338.354 3.266 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2n[nH]cc2C1 ZINC000596005660 459494998 /nfs/dbraw/zinc/49/49/98/459494998.db2.gz DOBNBWFUZBTNOX-UHFFFAOYSA-N 0 0 346.412 3.019 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000591963119 459499151 /nfs/dbraw/zinc/49/91/51/459499151.db2.gz OIJLSESXHVBOBY-YRGRVCCFSA-N 0 0 337.807 3.279 10 5 EGBERN CC(C)(C)OC(=O)C1(C)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591987554 459504965 /nfs/dbraw/zinc/50/49/65/459504965.db2.gz KXBDBARDOQNSIC-UHFFFAOYSA-N 0 0 339.367 3.077 10 5 EGBERN CC(C)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCOC1 ZINC000591986960 459505253 /nfs/dbraw/zinc/50/52/53/459505253.db2.gz FHXAQWZYGJPYLN-CQSZACIVSA-N 0 0 349.214 3.491 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)N(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000486484572 459505463 /nfs/dbraw/zinc/50/54/63/459505463.db2.gz SYIABCQQNQCQET-UKRRQHHQSA-N 0 0 337.383 3.328 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000486681751 459514968 /nfs/dbraw/zinc/51/49/68/459514968.db2.gz JLCGNYFZMQSGIK-NSHDSACASA-N 0 0 348.371 3.013 10 5 EGBERN COc1cc(N2CCC[C@H](n3ccnc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596111974 459526065 /nfs/dbraw/zinc/52/60/65/459526065.db2.gz GBWMWNZDALDZJN-NSHDSACASA-N 0 0 336.779 3.295 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1C1CCC1 ZINC000592115450 459527681 /nfs/dbraw/zinc/52/76/81/459527681.db2.gz ZQVNKZYZKXVNOR-HNNXBMFYSA-N 0 0 338.429 3.079 10 5 EGBERN CCc1cnc(N2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)s1 ZINC000596137122 459533239 /nfs/dbraw/zinc/53/32/39/459533239.db2.gz HLVFAWNVDPVZEC-UHFFFAOYSA-N 0 0 338.458 3.310 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000596156474 459541282 /nfs/dbraw/zinc/54/12/82/459541282.db2.gz HWULZPVFCUDTMQ-QMMMGPOBSA-N 0 0 330.793 3.342 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000497534255 459542122 /nfs/dbraw/zinc/54/21/22/459542122.db2.gz PSMOPSGVSSMRLT-OAHLLOKOSA-N 0 0 342.420 3.361 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596187752 459553498 /nfs/dbraw/zinc/55/34/98/459553498.db2.gz WZVSYVDOWHWDPS-ZJUUUORDSA-N 0 0 342.779 3.262 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)c1ncc[nH]1 ZINC000596202045 459558964 /nfs/dbraw/zinc/55/89/64/459558964.db2.gz PYNRDTNKVJACAF-MRVPVSSYSA-N 0 0 338.751 3.321 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3cc(C)sc3[N+](=O)[O-])C2)n(C)n1 ZINC000596212951 459561199 /nfs/dbraw/zinc/56/11/99/459561199.db2.gz PAUUYPGKIVCQIQ-LBPRGKRZSA-N 0 0 335.433 3.088 10 5 EGBERN CC[C@]1(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCOC1 ZINC000596221233 459564923 /nfs/dbraw/zinc/56/49/23/459564923.db2.gz DCBAUWDVMFGIIL-AWEZNQCLSA-N 0 0 328.752 3.016 10 5 EGBERN COC(=O)c1c(Cl)c(NCCC2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000596244336 459573359 /nfs/dbraw/zinc/57/33/59/459573359.db2.gz OWGZHPWXXHEAOF-UHFFFAOYSA-N 0 0 342.779 3.406 10 5 EGBERN COC(=O)c1c(Cl)c(NC2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000596265563 459578933 /nfs/dbraw/zinc/57/89/33/459578933.db2.gz SFTQUMQXLYQXNH-UHFFFAOYSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1noc(Cn2cnc(SCc3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000596267201 459580274 /nfs/dbraw/zinc/58/02/74/459580274.db2.gz ZFGXXWDSNLQZQE-UHFFFAOYSA-N 0 0 345.384 3.132 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596278259 459581834 /nfs/dbraw/zinc/58/18/34/459581834.db2.gz NWILHFIDFCFDBC-VHSXEESVSA-N 0 0 342.779 3.404 10 5 EGBERN CC(C)(CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000596288145 459585991 /nfs/dbraw/zinc/58/59/91/459585991.db2.gz BDQLHIRXAVTPFB-CQSZACIVSA-N 0 0 348.321 3.203 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000596291582 459586910 /nfs/dbraw/zinc/58/69/10/459586910.db2.gz KGRAEWOENKCKOR-ZDUSSCGKSA-N 0 0 346.717 3.270 10 5 EGBERN COc1cc(N2C[C@@H](C)OC3(CCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596290947 459587041 /nfs/dbraw/zinc/58/70/41/459587041.db2.gz HVFYCIMBILHESY-SNVBAGLBSA-N 0 0 326.780 3.405 10 5 EGBERN COc1cc(N2CCC([C@@H](C)CO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596293947 459587803 /nfs/dbraw/zinc/58/78/03/459587803.db2.gz UDOBCUDJTFQZDE-JTQLQIEISA-N 0 0 328.796 3.102 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](c4ccccn4)C3)c2c1 ZINC000596307516 459591148 /nfs/dbraw/zinc/59/11/48/459591148.db2.gz ZHOIORRTBIWENV-ZDUSSCGKSA-N 0 0 335.367 3.317 10 5 EGBERN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccn1 ZINC000596313633 459593634 /nfs/dbraw/zinc/59/36/34/459593634.db2.gz RYMYMXFEEJEKBQ-LLVKDONJSA-N 0 0 326.356 3.090 10 5 EGBERN CC[C@@H](COCC1CC1)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000596328344 459598281 /nfs/dbraw/zinc/59/82/81/459598281.db2.gz XLGVBHXICLGFOL-HNNXBMFYSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1noc(CSCc2noc(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000596338645 459599905 /nfs/dbraw/zinc/59/99/05/459599905.db2.gz WWHMZBXKUPYHAG-UHFFFAOYSA-N 0 0 346.368 3.298 10 5 EGBERN COC[C@H](CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000596349104 459604841 /nfs/dbraw/zinc/60/48/41/459604841.db2.gz PBEGHCITIFAMCE-CQSZACIVSA-N 0 0 338.385 3.144 10 5 EGBERN CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596436663 459635493 /nfs/dbraw/zinc/63/54/93/459635493.db2.gz NHKKOCATCHZYNB-KYZUINATSA-N 0 0 328.752 3.014 10 5 EGBERN CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596437524 459635615 /nfs/dbraw/zinc/63/56/15/459635615.db2.gz VSSSJMAZVQDFQE-KYZUINATSA-N 0 0 330.182 3.040 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000596447334 459639583 /nfs/dbraw/zinc/63/95/83/459639583.db2.gz RRNVYZBBEYOZHD-AWEZNQCLSA-N 0 0 346.387 3.071 10 5 EGBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CO1 ZINC000596447552 459639851 /nfs/dbraw/zinc/63/98/51/459639851.db2.gz WWYSNEPOWIVXSL-HNNXBMFYSA-N 0 0 343.383 3.133 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000596454845 459641795 /nfs/dbraw/zinc/64/17/95/459641795.db2.gz PIQULWCSLRTZDV-ZDUSSCGKSA-N 0 0 349.416 3.047 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@](O)(C2CC2)C1 ZINC000596462055 459644938 /nfs/dbraw/zinc/64/49/38/459644938.db2.gz JSYPAKISGLWCRJ-CQSZACIVSA-N 0 0 341.205 3.099 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)C1O ZINC000596469319 459646854 /nfs/dbraw/zinc/64/68/54/459646854.db2.gz KKLVTKIRBUIJNV-RYUDHWBXSA-N 0 0 345.374 3.249 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000596470580 459647649 /nfs/dbraw/zinc/64/76/49/459647649.db2.gz PPVLKPVNVPIJNE-YOEHRIQHSA-N 0 0 341.367 3.289 10 5 EGBERN C[C@@]1(CCNc2c(Br)cncc2[N+](=O)[O-])CC1(F)F ZINC000596474995 459649322 /nfs/dbraw/zinc/64/93/22/459649322.db2.gz DCBWSFIUDIIXTK-SNVBAGLBSA-N 0 0 336.136 3.022 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592633048 459651607 /nfs/dbraw/zinc/65/16/07/459651607.db2.gz RTHHNEFSCYKOGT-UHFFFAOYSA-N 0 0 336.388 3.464 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)n1 ZINC000596486641 459653558 /nfs/dbraw/zinc/65/35/58/459653558.db2.gz BNZKLBVJWRRPRT-LSDHHAIUSA-N 0 0 329.404 3.163 10 5 EGBERN Cc1ccc(CN(CC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000592671007 459660113 /nfs/dbraw/zinc/66/01/13/459660113.db2.gz IMHCFSDHFDPHRY-UHFFFAOYSA-N 0 0 344.415 3.244 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H](C)CC(F)F)ccc1[N+](=O)[O-] ZINC000592672491 459661255 /nfs/dbraw/zinc/66/12/55/459661255.db2.gz WSLAPHSQDVLFMA-SNVBAGLBSA-N 0 0 330.331 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(NCC3CCC(O)CC3)n2)cc1 ZINC000596513256 459662301 /nfs/dbraw/zinc/66/23/01/459662301.db2.gz SHNGSZZNYGCLEH-UHFFFAOYSA-N 0 0 333.413 3.103 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000592679971 459663377 /nfs/dbraw/zinc/66/33/77/459663377.db2.gz AYUUFKJKXMJXRW-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000592681445 459664219 /nfs/dbraw/zinc/66/42/19/459664219.db2.gz LVWYLWLQTFJUAD-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN COc1cc(N2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000596525179 459665872 /nfs/dbraw/zinc/66/58/72/459665872.db2.gz LOYKDGGOJKQKDH-CYBMUJFWSA-N 0 0 332.331 3.400 10 5 EGBERN COc1cc(NCC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])cc1F ZINC000596528454 459667012 /nfs/dbraw/zinc/66/70/12/459667012.db2.gz URFVXQBVPJBOPH-UHFFFAOYSA-N 0 0 334.294 3.095 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592697168 459670053 /nfs/dbraw/zinc/67/00/53/459670053.db2.gz QEDFMYFQOKRHDH-JGZJWPJOSA-N 0 0 326.780 3.324 10 5 EGBERN Cc1cc(N2CCc3nccnc3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596538552 459670201 /nfs/dbraw/zinc/67/02/01/459670201.db2.gz UIRIKLWKGITKRE-UHFFFAOYSA-N 0 0 338.289 3.275 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596544990 459671899 /nfs/dbraw/zinc/67/18/99/459671899.db2.gz UNZPKSJJGNNWDP-INIZCTEOSA-N 0 0 325.368 3.492 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000596557737 459675865 /nfs/dbraw/zinc/67/58/65/459675865.db2.gz KBCUNOWDKASZLS-GXSJLCMTSA-N 0 0 334.294 3.150 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](CC(F)(F)F)C2)c2ncccc12 ZINC000596558671 459676250 /nfs/dbraw/zinc/67/62/50/459676250.db2.gz SXQATVRPKVUYFB-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000592721917 459676891 /nfs/dbraw/zinc/67/68/91/459676891.db2.gz LWNKONMZYMAYCH-UHFFFAOYSA-N 0 0 346.305 3.454 10 5 EGBERN O=[N+]([O-])c1c(N2CC3CC2(c2ccccc2)C3)nc2sccn21 ZINC000596563404 459678050 /nfs/dbraw/zinc/67/80/50/459678050.db2.gz LVZKHMFYJIFHKW-UHFFFAOYSA-N 0 0 326.381 3.430 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592733816 459679065 /nfs/dbraw/zinc/67/90/65/459679065.db2.gz XRAKOJGMRKYNMM-AEGPPILISA-N 0 0 329.400 3.113 10 5 EGBERN COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592733717 459679124 /nfs/dbraw/zinc/67/91/24/459679124.db2.gz BBZRNEARWOTWEY-OAHLLOKOSA-N 0 0 332.400 3.327 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@](C)(C(F)F)O1 ZINC000596572288 459681135 /nfs/dbraw/zinc/68/11/35/459681135.db2.gz DXKIKQGFSURUSP-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596572640 459682174 /nfs/dbraw/zinc/68/21/74/459682174.db2.gz OFERZRJLUQMJFS-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H](C)[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596589386 459686583 /nfs/dbraw/zinc/68/65/83/459686583.db2.gz DGJVIYAWNRGGDQ-IUODEOHRSA-N 0 0 331.372 3.235 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CCCC[C@@H]21 ZINC000596602147 459693142 /nfs/dbraw/zinc/69/31/42/459693142.db2.gz WUNCKQCJDRUIIB-GUYCJALGSA-N 0 0 342.399 3.203 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NC2(c3ccccc3F)CCC2)c1[N+](=O)[O-] ZINC000592836119 459701225 /nfs/dbraw/zinc/70/12/25/459701225.db2.gz SNSQTVCBQVHZCN-UHFFFAOYSA-N 0 0 346.362 3.390 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000543821184 459703936 /nfs/dbraw/zinc/70/39/36/459703936.db2.gz REHDGTLJOYSXFR-RKDXNWHRSA-N 0 0 346.355 3.162 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000592872531 459706901 /nfs/dbraw/zinc/70/69/01/459706901.db2.gz DLFVFDMMSNKMRS-OTVXOJSOSA-N 0 0 348.399 3.020 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc5n[nH]nc5c4)no3)c2c1 ZINC000584386079 459722824 /nfs/dbraw/zinc/72/28/24/459722824.db2.gz SIKRXZBQJLHRBM-UHFFFAOYSA-N 0 0 347.294 3.064 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592949508 459723309 /nfs/dbraw/zinc/72/33/09/459723309.db2.gz FFNJRZDBYPREKL-UHFFFAOYSA-N 0 0 328.328 3.170 10 5 EGBERN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000592977494 459727169 /nfs/dbraw/zinc/72/71/69/459727169.db2.gz NCBBWMNOPROYRL-DOTOQJQBSA-N 0 0 341.367 3.150 10 5 EGBERN COCC1(CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000563173499 459730154 /nfs/dbraw/zinc/73/01/54/459730154.db2.gz CBYDUFURRSEYKH-GFCCVEGCSA-N 0 0 338.429 3.008 10 5 EGBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1[C@H]1CCC(=O)N1 ZINC000592989990 459732891 /nfs/dbraw/zinc/73/28/91/459732891.db2.gz UPASBDKDGPZFBS-CQSZACIVSA-N 0 0 348.790 3.061 10 5 EGBERN COC(=O)c1cc(NCCc2ccccc2O)cc(C)c1[N+](=O)[O-] ZINC000573889755 459750828 /nfs/dbraw/zinc/75/08/28/459750828.db2.gz MSYGIDOMPXZHIJ-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593060217 459760139 /nfs/dbraw/zinc/76/01/39/459760139.db2.gz TWWOSTOJJRHYJE-LBPRGKRZSA-N 0 0 346.358 3.032 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000596788743 459762584 /nfs/dbraw/zinc/76/25/84/459762584.db2.gz WOFAIAZXBPZANT-CXAGYDPISA-N 0 0 343.383 3.455 10 5 EGBERN CC(C)(C)OC(=O)CN(Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000593075850 459765172 /nfs/dbraw/zinc/76/51/72/459765172.db2.gz WYZYUNWCHAEVPT-UHFFFAOYSA-N 0 0 326.418 3.210 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000596837118 459774755 /nfs/dbraw/zinc/77/47/55/459774755.db2.gz RLJJRTFSXVNNKC-OAHLLOKOSA-N 0 0 343.330 3.100 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596867591 459782497 /nfs/dbraw/zinc/78/24/97/459782497.db2.gz QTMNLMJJYUODGC-KRWDZBQOSA-N 0 0 333.388 3.244 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000584690369 459783680 /nfs/dbraw/zinc/78/36/80/459783680.db2.gz IEJSONFAWPNVJG-NSHDSACASA-N 0 0 329.303 3.003 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596912989 459794636 /nfs/dbraw/zinc/79/46/36/459794636.db2.gz QRUFHPYPPLXJFZ-CALCHBBNSA-N 0 0 333.388 3.048 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2c(C)noc2C)c1 ZINC000593186860 459801388 /nfs/dbraw/zinc/80/13/88/459801388.db2.gz ZTWRZHPMYHQKET-UHFFFAOYSA-N 0 0 336.369 3.420 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC[C@@H]2CCCO2)c1 ZINC000593193185 459801932 /nfs/dbraw/zinc/80/19/32/459801932.db2.gz RNFBPQHJEVMWAS-ZDUSSCGKSA-N 0 0 325.386 3.184 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593206912 459807778 /nfs/dbraw/zinc/80/77/78/459807778.db2.gz DMRUJAIOKVJSQG-AWEZNQCLSA-N 0 0 341.314 3.257 10 5 EGBERN Cc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000593213607 459809310 /nfs/dbraw/zinc/80/93/10/459809310.db2.gz PSLGJMFPXSAIIO-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN COCc1ccnc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000593291423 459831994 /nfs/dbraw/zinc/83/19/94/459831994.db2.gz OLBBSZWGIDUBIO-GFCCVEGCSA-N 0 0 344.371 3.327 10 5 EGBERN CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593296719 459832556 /nfs/dbraw/zinc/83/25/56/459832556.db2.gz UUEVBIHULLJWGK-LLVKDONJSA-N 0 0 346.305 3.255 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCCOC1 ZINC000593294769 459832667 /nfs/dbraw/zinc/83/26/67/459832667.db2.gz IWAIQJWRXZNVCN-WBVHZDCISA-N 0 0 334.416 3.191 10 5 EGBERN Nc1c(NC(=O)N2CCC[C@@H](C3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091964 459835422 /nfs/dbraw/zinc/83/54/22/459835422.db2.gz GKZWVJMHBQLNKC-SNVBAGLBSA-N 0 0 338.795 3.484 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000597092419 459835597 /nfs/dbraw/zinc/83/55/97/459835597.db2.gz KLASGGQCXNVCJW-PELKAZGASA-N 0 0 344.799 3.013 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCS1 ZINC000597105074 459837733 /nfs/dbraw/zinc/83/77/33/459837733.db2.gz VSPLYOXPVGGMSV-VIFPVBQESA-N 0 0 344.824 3.190 10 5 EGBERN COc1cc(C(=O)N2CCOc3c(C)cc(C)cc32)ccc1[N+](=O)[O-] ZINC000593316318 459838869 /nfs/dbraw/zinc/83/88/69/459838869.db2.gz OQEWMDDJDAKZSJ-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN C[C@@H](OCC1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810080 459854491 /nfs/dbraw/zinc/85/44/91/459854491.db2.gz HLLNUUPUEFHOSO-MRVPVSSYSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000598309451 459859652 /nfs/dbraw/zinc/85/96/52/459859652.db2.gz WYSRYKIZONHQPO-TZMCWYRMSA-N 0 0 338.429 3.386 10 5 EGBERN CC[C@@H](NC(=O)N(CC)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593369365 459869052 /nfs/dbraw/zinc/86/90/52/459869052.db2.gz BMIUTWWJAALQNN-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586777887 459870102 /nfs/dbraw/zinc/87/01/02/459870102.db2.gz ZXWFFKSRRPKCRK-PELKAZGASA-N 0 0 338.713 3.400 10 5 EGBERN CC1(C)CCC(O)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000598337642 459870935 /nfs/dbraw/zinc/87/09/35/459870935.db2.gz BAVQLTDFYNEHAF-UHFFFAOYSA-N 0 0 345.399 3.137 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000598350022 459875087 /nfs/dbraw/zinc/87/50/87/459875087.db2.gz LITVMWPKYHWDAQ-GJZGRUSLSA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000598354052 459876739 /nfs/dbraw/zinc/87/67/39/459876739.db2.gz UYWCWQUORPCUDD-DLBZAZTESA-N 0 0 346.358 3.222 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC(C(C)(C)O)CC1 ZINC000593401359 459879771 /nfs/dbraw/zinc/87/97/71/459879771.db2.gz AZOKVFXSZBQRMZ-UHFFFAOYSA-N 0 0 334.416 3.131 10 5 EGBERN Nc1cc(NCCc2ccc3ccccc3c2)cc(CO)c1[N+](=O)[O-] ZINC000587185632 459891181 /nfs/dbraw/zinc/89/11/81/459891181.db2.gz UNFQPBVJHXKHCS-UHFFFAOYSA-N 0 0 337.379 3.477 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOC[C@@H]1CCCO1 ZINC000593455157 459894383 /nfs/dbraw/zinc/89/43/83/459894383.db2.gz RKOGDHPXZJWFMP-AWEZNQCLSA-N 0 0 331.372 3.141 10 5 EGBERN Nc1cc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(CO)c1[N+](=O)[O-] ZINC000587784348 459895007 /nfs/dbraw/zinc/89/50/07/459895007.db2.gz CAJQFPHHZOHULJ-IRXDYDNUSA-N 0 0 343.383 3.002 10 5 EGBERN Cc1ccc(C(C)(C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587862090 459895223 /nfs/dbraw/zinc/89/52/23/459895223.db2.gz GPAGDMHLQZNBAK-UHFFFAOYSA-N 0 0 329.400 3.367 10 5 EGBERN Nc1cc(NCCCc2c[nH]c3ccccc23)cc(CO)c1[N+](=O)[O-] ZINC000587973233 459896923 /nfs/dbraw/zinc/89/69/23/459896923.db2.gz WABMLQAFYLAUKY-UHFFFAOYSA-N 0 0 340.383 3.195 10 5 EGBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@H]1c1ccccc1 ZINC000587985926 459898055 /nfs/dbraw/zinc/89/80/55/459898055.db2.gz JBBHRRJVAXKXMD-SUMWQHHRSA-N 0 0 341.411 3.299 10 5 EGBERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587982187 459898337 /nfs/dbraw/zinc/89/83/37/459898337.db2.gz PERNTVVIHCXCJW-AAEUAGOBSA-N 0 0 345.374 3.191 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000587985491 459898370 /nfs/dbraw/zinc/89/83/70/459898370.db2.gz KQENEGUFDCNQNZ-KBXCAEBGSA-N 0 0 341.367 3.227 10 5 EGBERN Cc1oc2ccccc2c1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588019283 459903480 /nfs/dbraw/zinc/90/34/80/459903480.db2.gz GDPRBOHEWGSKGX-UHFFFAOYSA-N 0 0 327.340 3.336 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CC3)C3CCOCC3)c21 ZINC000593490903 459905557 /nfs/dbraw/zinc/90/55/57/459905557.db2.gz CVRKHSXSOIZASA-MRXNPFEDSA-N 0 0 328.372 3.155 10 5 EGBERN COC(=O)c1cc(N[C@@H](C2CC2)C2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000593490641 459905580 /nfs/dbraw/zinc/90/55/80/459905580.db2.gz DAMMBBOVZJFJMX-INIZCTEOSA-N 0 0 348.399 3.307 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCC[C@H]2CCO)cc1OC(F)F ZINC000588049123 459905753 /nfs/dbraw/zinc/90/57/53/459905753.db2.gz WZSAHAUNHXHYFF-NSHDSACASA-N 0 0 330.331 3.328 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC4(CC3)C(F)(F)C4(F)F)nc2c1 ZINC000593495040 459906850 /nfs/dbraw/zinc/90/68/50/459906850.db2.gz SMAKVEKNFDHADR-UHFFFAOYSA-N 0 0 344.268 3.342 10 5 EGBERN CCOc1cc(N2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000588068626 459908437 /nfs/dbraw/zinc/90/84/37/459908437.db2.gz XSQXXXFGLFKBLI-TVQRCGJNSA-N 0 0 334.294 3.150 10 5 EGBERN CCOC(=O)CCC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000618156495 459910010 /nfs/dbraw/zinc/91/00/10/459910010.db2.gz YLOZNQVMMVWYEH-UHFFFAOYSA-N 0 0 347.415 3.123 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCCc3c(C)cccc32)c1[N+](=O)[O-] ZINC000598481295 459911023 /nfs/dbraw/zinc/91/10/23/459911023.db2.gz WYSDFYAMIFFVIC-CQSZACIVSA-N 0 0 342.399 3.386 10 5 EGBERN Cc1nc(C)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000575089389 459922934 /nfs/dbraw/zinc/92/29/34/459922934.db2.gz HAXWCPNRUUUDML-UHFFFAOYSA-N 0 0 344.396 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598506116 459924448 /nfs/dbraw/zinc/92/44/48/459924448.db2.gz DNWYDRZLASHNBP-JQWIXIFHSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000598508933 459925659 /nfs/dbraw/zinc/92/56/59/459925659.db2.gz SBEVPDDRHOTDKZ-CMPLNLGQSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000598509973 459925739 /nfs/dbraw/zinc/92/57/39/459925739.db2.gz VSRDQQCUAWCYND-QWRGUYRKSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000597359905 459928938 /nfs/dbraw/zinc/92/89/38/459928938.db2.gz FIUQELAYYFPLDB-ZDUSSCGKSA-N 0 0 330.388 3.102 10 5 EGBERN Cc1cc(NC(=O)Nc2cnn(C)c2C(F)F)ccc1[N+](=O)[O-] ZINC000613778077 459929917 /nfs/dbraw/zinc/92/99/17/459929917.db2.gz YBHUNEMSBKLYIN-UHFFFAOYSA-N 0 0 325.275 3.218 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232435 459935278 /nfs/dbraw/zinc/93/52/78/459935278.db2.gz HGIXHJCHXRLJQA-ZIAGYGMSSA-N 0 0 336.342 3.195 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000598554786 459936675 /nfs/dbraw/zinc/93/66/75/459936675.db2.gz MDFUSGCAZQDOAU-UHFFFAOYSA-N 0 0 338.363 3.121 10 5 EGBERN O=C(Cc1cc(C2CC2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597467308 459964503 /nfs/dbraw/zinc/96/45/03/459964503.db2.gz JWVYHEVOXLWCEN-UHFFFAOYSA-N 0 0 341.367 3.194 10 5 EGBERN CCC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000588923051 460004568 /nfs/dbraw/zinc/00/45/68/460004568.db2.gz MEWKANQTCPXQDQ-INIZCTEOSA-N 0 0 349.337 3.468 10 5 EGBERN CNc1ccc(C(=O)NC2(c3nc(C)cs3)CCC2)cc1[N+](=O)[O-] ZINC000609666215 460004963 /nfs/dbraw/zinc/00/49/63/460004963.db2.gz QMGAIHRTJBJXTG-UHFFFAOYSA-N 0 0 346.412 3.211 10 5 EGBERN COCCCOCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597633359 460013828 /nfs/dbraw/zinc/01/38/28/460013828.db2.gz XHXILMGJBUPSNK-UHFFFAOYSA-N 0 0 338.404 3.274 10 5 EGBERN Cc1cc(C(=O)NCC[C@H]2CCc3ccccc3N2)ccc1[N+](=O)[O-] ZINC000593914458 460016120 /nfs/dbraw/zinc/01/61/20/460016120.db2.gz BYEHVAWWLHXLGC-MRXNPFEDSA-N 0 0 339.395 3.450 10 5 EGBERN Cc1cc(NC(=O)N[C@H]2COc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000589005128 460017603 /nfs/dbraw/zinc/01/76/03/460017603.db2.gz RKMWIVPKENIXBX-CQSZACIVSA-N 0 0 345.330 3.168 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cn1 ZINC000609797057 460019877 /nfs/dbraw/zinc/01/98/77/460019877.db2.gz VCFXUPRBDBOYBH-HNNXBMFYSA-N 0 0 347.378 3.416 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 ZINC000609796772 460020206 /nfs/dbraw/zinc/02/02/06/460020206.db2.gz QYLASJMJVSGKLY-LLVKDONJSA-N 0 0 334.326 3.206 10 5 EGBERN Cc1ccnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000598765601 460025337 /nfs/dbraw/zinc/02/53/37/460025337.db2.gz SYCFDBHUIRQXFF-UHFFFAOYSA-N 0 0 327.340 3.193 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597685164 460026341 /nfs/dbraw/zinc/02/63/41/460026341.db2.gz SUCNYMBSOGBHRI-UHFFFAOYSA-N 0 0 342.355 3.426 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000609864254 460031703 /nfs/dbraw/zinc/03/17/03/460031703.db2.gz RXPNDGVEADUCAL-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1c(Cc2noc(C[C@H](O)CC(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000589137898 460037189 /nfs/dbraw/zinc/03/71/89/460037189.db2.gz ZITYPGBWIQLDLT-ZDUSSCGKSA-N 0 0 333.388 3.217 10 5 EGBERN CC[C@@H](NC(=O)c1scc2c1OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000593987055 460041631 /nfs/dbraw/zinc/04/16/31/460041631.db2.gz DREYBGMSGLRMHP-GFCCVEGCSA-N 0 0 348.380 3.309 10 5 EGBERN C[C@@H]1C[N@@H+](Cc2cccc(Nc3cccnc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964520 460042718 /nfs/dbraw/zinc/04/27/18/460042718.db2.gz OXEGRZXGQZSBMM-OKILXGFUSA-N 0 0 342.399 3.343 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610087242 460060840 /nfs/dbraw/zinc/06/08/40/460060840.db2.gz UZKLXFXCKCYOPK-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610087223 460060983 /nfs/dbraw/zinc/06/09/83/460060983.db2.gz UWGJVUOYANDUMS-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN CCCc1nccnc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000598874936 460078541 /nfs/dbraw/zinc/07/85/41/460078541.db2.gz ATJYUNAFLJQYFK-UHFFFAOYSA-N 0 0 332.385 3.312 10 5 EGBERN CC(C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000594062666 460082496 /nfs/dbraw/zinc/08/24/96/460082496.db2.gz LVDCYOGTWYSCLH-UHFFFAOYSA-N 0 0 341.358 3.359 10 5 EGBERN CC(C)Oc1cncc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000594067582 460084401 /nfs/dbraw/zinc/08/44/01/460084401.db2.gz OYWOOVUAGVDKFT-JTQLQIEISA-N 0 0 348.334 3.053 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594067818 460084531 /nfs/dbraw/zinc/08/45/31/460084531.db2.gz ASKVVSIWTXWLPT-MHORFTMASA-N 0 0 344.411 3.162 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594072964 460087231 /nfs/dbraw/zinc/08/72/31/460087231.db2.gz QNEHCJQWAIUNCF-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](C)C(=O)OC(C)(C)C ZINC000597869788 460087550 /nfs/dbraw/zinc/08/75/50/460087550.db2.gz KKASJRHXPGMGBG-VIFPVBQESA-N 0 0 342.417 3.157 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000598950186 460099584 /nfs/dbraw/zinc/09/95/84/460099584.db2.gz HEWDESRMYCXKCO-AWEZNQCLSA-N 0 0 339.395 3.114 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCc2cccnc21 ZINC000598950204 460099701 /nfs/dbraw/zinc/09/97/01/460099701.db2.gz HMXXHCHHRYEEGM-AWEZNQCLSA-N 0 0 325.368 3.066 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000597919817 460110980 /nfs/dbraw/zinc/11/09/80/460110980.db2.gz RGDAVCOGYJHLGC-GFCCVEGCSA-N 0 0 338.429 3.252 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000594136478 460121131 /nfs/dbraw/zinc/12/11/31/460121131.db2.gz IWPFOQINNUVROY-GFCCVEGCSA-N 0 0 340.445 3.254 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599000565 460122914 /nfs/dbraw/zinc/12/29/14/460122914.db2.gz MWUSOFMFQURVHA-KBPBESRZSA-N 0 0 335.404 3.080 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599001930 460124370 /nfs/dbraw/zinc/12/43/70/460124370.db2.gz ZJJATDMNSAXAHG-DJUFWWRVSA-N 0 0 335.404 3.075 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000594164464 460134976 /nfs/dbraw/zinc/13/49/76/460134976.db2.gz JAFDDJOUOHJGCB-JQWIXIFHSA-N 0 0 346.305 3.133 10 5 EGBERN C[C@@H]1CC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)C1 ZINC000597981485 460136038 /nfs/dbraw/zinc/13/60/38/460136038.db2.gz YNBBYIRNHPQKBN-RYUDHWBXSA-N 0 0 348.399 3.168 10 5 EGBERN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCO1 ZINC000594171809 460136705 /nfs/dbraw/zinc/13/67/05/460136705.db2.gz BFWCHADOLYKOBX-ZFWWWQNUSA-N 0 0 332.356 3.419 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(C2CCC2)CC1 ZINC000597995101 460139719 /nfs/dbraw/zinc/13/97/19/460139719.db2.gz NZDKKVSCZSVJLU-UHFFFAOYSA-N 0 0 328.372 3.123 10 5 EGBERN CSc1cccc(C(=O)N2CC(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000614446378 460142440 /nfs/dbraw/zinc/14/24/40/460142440.db2.gz CLUPIIMHGDTYPI-UHFFFAOYSA-N 0 0 334.319 3.341 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000598038439 460152043 /nfs/dbraw/zinc/15/20/43/460152043.db2.gz CZAZVYFKXWNEAS-OAHLLOKOSA-N 0 0 344.371 3.231 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]([C@H](CO)C2CC2)C2CC2)ccc2cnccc21 ZINC000599084226 460156698 /nfs/dbraw/zinc/15/66/98/460156698.db2.gz QBKXNCSLQXRCSV-NVXWUHKLSA-N 0 0 327.384 3.352 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598061819 460157450 /nfs/dbraw/zinc/15/74/50/460157450.db2.gz ICRKDFMFBXYQKT-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598067891 460159312 /nfs/dbraw/zinc/15/93/12/460159312.db2.gz QTCMORJCZOFPQS-HDICACEKSA-N 0 0 332.400 3.019 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@]2(CO)CCc3ccccc32)ccc2cnccc21 ZINC000599096893 460160762 /nfs/dbraw/zinc/16/07/62/460160762.db2.gz ZSRBGLNCXUIPML-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN CC[C@H](NC(=O)N(C)[C@H](C)c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000594237079 460164207 /nfs/dbraw/zinc/16/42/07/460164207.db2.gz ZSPHESULLGDBQC-YGRLFVJLSA-N 0 0 347.375 3.140 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594236913 460164705 /nfs/dbraw/zinc/16/47/05/460164705.db2.gz XUNHNEKPEVVQJY-GUYCJALGSA-N 0 0 342.399 3.371 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000599117173 460165219 /nfs/dbraw/zinc/16/52/19/460165219.db2.gz OOTPJMSJKFVLRE-SNVBAGLBSA-N 0 0 342.779 3.263 10 5 EGBERN COc1cc(NCc2c(C(F)(F)F)cnn2C)c([N+](=O)[O-])cc1C ZINC000599125024 460167659 /nfs/dbraw/zinc/16/76/59/460167659.db2.gz ZQWQOXQDBLBKIH-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1S[C@@H]1COC(C)(C)C1 ZINC000599125454 460168112 /nfs/dbraw/zinc/16/81/12/460168112.db2.gz PVDWGMITUOFVAA-JTQLQIEISA-N 0 0 325.386 3.349 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(c1sccc1[N+](=O)[O-])CC2 ZINC000599134393 460170202 /nfs/dbraw/zinc/17/02/02/460170202.db2.gz VTZBNQRAJIOXOI-UHFFFAOYSA-N 0 0 336.344 3.145 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000598101855 460175324 /nfs/dbraw/zinc/17/53/24/460175324.db2.gz RXJVIAVNDHAHNU-SWLSCSKDSA-N 0 0 340.379 3.452 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)C1=O ZINC000598113303 460178339 /nfs/dbraw/zinc/17/83/39/460178339.db2.gz JJCUZMNNXOONJI-VXGBXAGGSA-N 0 0 332.400 3.189 10 5 EGBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599166928 460184241 /nfs/dbraw/zinc/18/42/41/460184241.db2.gz WJNAWQRPLHDKHW-GXFFZTMASA-N 0 0 342.779 3.018 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598140919 460186976 /nfs/dbraw/zinc/18/69/76/460186976.db2.gz YXLNOUOLOXXPKP-INIZCTEOSA-N 0 0 342.351 3.182 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000599180103 460190490 /nfs/dbraw/zinc/19/04/90/460190490.db2.gz JOURTIUZKPALSS-MFKMUULPSA-N 0 0 327.178 3.337 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000599192115 460194878 /nfs/dbraw/zinc/19/48/78/460194878.db2.gz CFSQAOOCVAVMFE-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN CC1(c2noc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000599198820 460197048 /nfs/dbraw/zinc/19/70/48/460197048.db2.gz UNQYRTVFSAGZDN-UHFFFAOYSA-N 0 0 345.359 3.131 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000599202453 460198450 /nfs/dbraw/zinc/19/84/50/460198450.db2.gz SWOAEQAABMFYFG-MASHWEEQSA-N 0 0 333.388 3.349 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@](O)(C2CC2)C1 ZINC000598188890 460199474 /nfs/dbraw/zinc/19/94/74/460199474.db2.gz VNSYUCAJBCLWSC-KRWDZBQOSA-N 0 0 346.408 3.187 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598201473 460202214 /nfs/dbraw/zinc/20/22/14/460202214.db2.gz MOEWJUAKJQEJAZ-SAZUREKKSA-N 0 0 326.352 3.243 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC12CC2 ZINC000599242765 460203840 /nfs/dbraw/zinc/20/38/40/460203840.db2.gz HPQLKMMMIRUQRK-OAHLLOKOSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594395030 460204965 /nfs/dbraw/zinc/20/49/65/460204965.db2.gz FFTCLRBTUFQZDN-IRXDYDNUSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@]1(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(F)F ZINC000598219579 460209622 /nfs/dbraw/zinc/20/96/22/460209622.db2.gz LZPUXLVDNDYQCN-HNNXBMFYSA-N 0 0 337.326 3.101 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CC1(F)F ZINC000598219585 460210127 /nfs/dbraw/zinc/21/01/27/460210127.db2.gz SDHMZKNDNOLVKK-AMIZOPFISA-N 0 0 348.733 3.177 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](CCF)C1 ZINC000598230305 460215133 /nfs/dbraw/zinc/21/51/33/460215133.db2.gz UYNLTLVPSKALLB-LBPRGKRZSA-N 0 0 331.347 3.355 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(=O)[O-] ZINC000576822957 460220732 /nfs/dbraw/zinc/22/07/32/460220732.db2.gz KOPBSJIZGRLZOO-WBMJQRKESA-N 0 0 344.367 3.397 10 5 EGBERN COc1cc(NCCc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1F ZINC000610716205 460223973 /nfs/dbraw/zinc/22/39/73/460223973.db2.gz GZZDJNOKDNGTRA-UHFFFAOYSA-N 0 0 344.346 3.353 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000610719367 460224812 /nfs/dbraw/zinc/22/48/12/460224812.db2.gz UUOXSJSJWUBWTM-MRXNPFEDSA-N 0 0 349.431 3.032 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610768807 460234205 /nfs/dbraw/zinc/23/42/05/460234205.db2.gz XNHMZXJIZNGNDD-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(CC(F)(F)F)C1 ZINC000614934667 460248867 /nfs/dbraw/zinc/24/88/67/460248867.db2.gz HEIDMBFCSRKOQI-UHFFFAOYSA-N 0 0 333.266 3.020 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599527458 460268413 /nfs/dbraw/zinc/26/84/13/460268413.db2.gz AURLGVXXRCQXMO-SFAKSCPVSA-N 0 0 338.429 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(F)(F)C[C@@H]2C)c1 ZINC000599628833 460292494 /nfs/dbraw/zinc/29/24/94/460292494.db2.gz VDYFTCTWKCUGFJ-JTQLQIEISA-N 0 0 328.315 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@H]2O)nc1-c1ccccc1 ZINC000611182074 460302791 /nfs/dbraw/zinc/30/27/91/460302791.db2.gz PZXKKFDLGVOANH-GOEBONIOSA-N 0 0 327.384 3.042 10 5 EGBERN CC(C)(C)CC(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611254189 460318313 /nfs/dbraw/zinc/31/83/13/460318313.db2.gz JEOSQBSAIGQWNU-SOFGYWHQSA-N 0 0 345.443 3.188 10 5 EGBERN COc1cc(C(=O)N2CCC(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000611256084 460319285 /nfs/dbraw/zinc/31/92/85/460319285.db2.gz CGQQLCMHMWJYAL-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)O1 ZINC000599841385 460347175 /nfs/dbraw/zinc/34/71/75/460347175.db2.gz YTEJBOJZZNDDHN-UTUOFQBUSA-N 0 0 344.371 3.078 10 5 EGBERN CC(C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CCC1 ZINC000599989913 460367720 /nfs/dbraw/zinc/36/77/20/460367720.db2.gz ZVJAKFRGPUBTKH-UHFFFAOYSA-N 0 0 346.362 3.228 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cncc(F)c2)c1 ZINC000611485125 460374433 /nfs/dbraw/zinc/37/44/33/460374433.db2.gz CDWHRGNAZRQCKP-SECBINFHSA-N 0 0 335.360 3.342 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1F ZINC000611505655 460380635 /nfs/dbraw/zinc/38/06/35/460380635.db2.gz LANOQKYKOJGBMK-LDYMZIIASA-N 0 0 345.168 3.177 10 5 EGBERN COc1ccc([C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C(C)C)cc1 ZINC000611564851 460401034 /nfs/dbraw/zinc/40/10/34/460401034.db2.gz ANFYNGRABNSLFS-QGZVFWFLSA-N 0 0 345.399 3.487 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611576430 460407218 /nfs/dbraw/zinc/40/72/18/460407218.db2.gz NCQBVKFLKXRPHO-MFKMUULPSA-N 0 0 343.330 3.069 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000611597158 460412833 /nfs/dbraw/zinc/41/28/33/460412833.db2.gz FXHDCUBWPHGXGW-NSHDSACASA-N 0 0 343.330 3.447 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000611615848 460413987 /nfs/dbraw/zinc/41/39/87/460413987.db2.gz DCPYCGOSQCYVHY-HNNXBMFYSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(c3ccccc3)CC2)n1 ZINC000611616911 460414943 /nfs/dbraw/zinc/41/49/43/460414943.db2.gz XDUWMZRDZYQPGV-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](O)COc2c(C)cccc2C)n1 ZINC000611616673 460415221 /nfs/dbraw/zinc/41/52/21/460415221.db2.gz MDTLDVDHUQLISY-OAHLLOKOSA-N 0 0 345.399 3.075 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600167012 460416393 /nfs/dbraw/zinc/41/63/93/460416393.db2.gz CVNPDFGZAQHVTC-UTUOFQBUSA-N 0 0 341.367 3.015 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])C1 ZINC000604542356 460443715 /nfs/dbraw/zinc/44/37/15/460443715.db2.gz OPUGOSLZMLCTCA-LLVKDONJSA-N 0 0 330.344 3.071 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000604566622 460450441 /nfs/dbraw/zinc/45/04/41/460450441.db2.gz JEAHKQDUTFKCCJ-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000600366335 460483745 /nfs/dbraw/zinc/48/37/45/460483745.db2.gz NUBATBXOXBEBSV-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000616158357 460486494 /nfs/dbraw/zinc/48/64/94/460486494.db2.gz XZLMLJVRCLRTMQ-UHFFFAOYSA-N 0 0 327.340 3.047 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000600409679 460490884 /nfs/dbraw/zinc/49/08/84/460490884.db2.gz GSARADIORDEANU-UHFFFAOYSA-N 0 0 339.273 3.140 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000600442455 460496891 /nfs/dbraw/zinc/49/68/91/460496891.db2.gz PPNGGJGZNWAQHH-RBQUTUCGSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1nn(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000600508156 460507086 /nfs/dbraw/zinc/50/70/86/460507086.db2.gz ISIHZAYFNJZAHQ-WDEREUQCSA-N 0 0 333.310 3.346 10 5 EGBERN CCc1nnc(CSCc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000612024271 460512844 /nfs/dbraw/zinc/51/28/44/460512844.db2.gz ZCXXTIRAIBZHEG-UHFFFAOYSA-N 0 0 325.415 3.451 10 5 EGBERN O=[N+]([O-])c1sccc1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000616400554 460547153 /nfs/dbraw/zinc/54/71/53/460547153.db2.gz WBUYLQWTABIBQF-JTQLQIEISA-N 0 0 328.340 3.198 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(C)(c2ccccc2)C1 ZINC000601199632 460748366 /nfs/dbraw/zinc/74/83/66/460748366.db2.gz WAJOSCNFOWBDMD-UHFFFAOYSA-N 0 0 340.305 3.125 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[C@H]1c1ccsc1 ZINC000601202987 460749666 /nfs/dbraw/zinc/74/96/66/460749666.db2.gz LGVPGLZUQXMKIO-JGVFFNPUSA-N 0 0 332.307 3.377 10 5 EGBERN CNC(=O)c1ccc(N2CC(C)(C)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000601210443 460751922 /nfs/dbraw/zinc/75/19/22/460751922.db2.gz QMZZRQLWEAYZFH-HNNXBMFYSA-N 0 0 329.356 3.135 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc2cnncc21 ZINC000617146852 460758603 /nfs/dbraw/zinc/75/86/03/460758603.db2.gz QFEPWMDNTKPQDS-UHFFFAOYSA-N 0 0 340.364 3.269 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])s1 ZINC000601290058 460778324 /nfs/dbraw/zinc/77/83/24/460778324.db2.gz ZZWAFEJMBIVBDZ-NSHDSACASA-N 0 0 340.426 3.346 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3cccc(C)c32)c([N+](=O)[O-])s1 ZINC000601309425 460783304 /nfs/dbraw/zinc/78/33/04/460783304.db2.gz PPBNHGPWIMEKAY-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000601309877 460784094 /nfs/dbraw/zinc/78/40/94/460784094.db2.gz KBMVDHKMBWYJDX-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601353614 460793884 /nfs/dbraw/zinc/79/38/84/460793884.db2.gz CQOZGJXWKLASGC-DLBZAZTESA-N 0 0 344.411 3.149 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc([C@@H]4CCCOC4)no3)CCC2)cc1 ZINC000601373616 460798431 /nfs/dbraw/zinc/79/84/31/460798431.db2.gz CHSPEHCHTHPUII-GFCCVEGCSA-N 0 0 329.356 3.342 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C(F)F)CCC3)n2)c1 ZINC000601374130 460798462 /nfs/dbraw/zinc/79/84/62/460798462.db2.gz BAVBQBQXBYVXSK-UHFFFAOYSA-N 0 0 339.298 3.264 10 5 EGBERN CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 ZINC000601566005 460834475 /nfs/dbraw/zinc/83/44/75/460834475.db2.gz LEGLGHJFQXLXAR-HNNXBMFYSA-N 0 0 329.356 3.481 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000601605314 460845206 /nfs/dbraw/zinc/84/52/06/460845206.db2.gz OPIYJHVNNHPZTF-GFCCVEGCSA-N 0 0 333.294 3.136 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601655016 460857928 /nfs/dbraw/zinc/85/79/28/460857928.db2.gz DQXUYCKKVXVAAZ-QGZVFWFLSA-N 0 0 339.395 3.247 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3cccnc3)C2)c1 ZINC000601659113 460859943 /nfs/dbraw/zinc/85/99/43/460859943.db2.gz MDMDDBDEPQSAGC-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601661064 460860911 /nfs/dbraw/zinc/86/09/11/460860911.db2.gz UWDLICIMVJWPDS-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ncccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684869 460867544 /nfs/dbraw/zinc/86/75/44/460867544.db2.gz YVKCOKVMOHJQDF-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN C[C@H](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782240 460896037 /nfs/dbraw/zinc/89/60/37/460896037.db2.gz XXLYRGQZNYMQBA-AUUYWEPGSA-N 0 0 342.395 3.112 10 5 EGBERN Cc1cc(=O)n(CC2(O)CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000601958177 460961621 /nfs/dbraw/zinc/96/16/21/460961621.db2.gz XYGJTZKOAUOTLS-UHFFFAOYSA-N 0 0 342.395 3.154 10 5 EGBERN COc1ccccc1C(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611240435 469205208 /nfs/dbraw/zinc/20/52/08/469205208.db2.gz OKNCTKRGLDXKCH-UHFFFAOYSA-N 0 0 341.371 3.036 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183058012 534222188 /nfs/dbraw/zinc/22/21/88/534222188.db2.gz YNCQPVSIEXFHSN-ZJUUUORDSA-N 0 0 328.315 3.457 10 5 EGBERN CCc1cc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1C ZINC000540852622 517843320 /nfs/dbraw/zinc/84/33/20/517843320.db2.gz HZNAUSXHHMFWOR-UHFFFAOYSA-N 0 0 339.395 3.467 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCC(C3CCOCC3)CC1)CCN2 ZINC000302775189 518203128 /nfs/dbraw/zinc/20/31/28/518203128.db2.gz ACQPLXIUDMXMQY-UHFFFAOYSA-N 0 0 331.416 3.206 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C12CCCC2 ZINC000183595331 528128473 /nfs/dbraw/zinc/12/84/73/528128473.db2.gz MSNIIXABVFVYIU-GJZGRUSLSA-N 0 0 348.403 3.191 10 5 EGBERN CCc1nn(C)c(N[C@@H]2CCc3cc(F)c(OC)cc32)c1[N+](=O)[O-] ZINC000337823097 536181824 /nfs/dbraw/zinc/18/18/24/536181824.db2.gz RSPVYTYRIJNVTP-CYBMUJFWSA-N 0 0 334.351 3.138 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000350701499 536954920 /nfs/dbraw/zinc/95/49/20/536954920.db2.gz QAGYQJJBICQKQP-KOLCDFICSA-N 0 0 346.305 3.198 10 5 EGBERN Cc1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000005334207 546508099 /nfs/dbraw/zinc/50/80/99/546508099.db2.gz HIFLBSGODDHFAL-UHFFFAOYSA-N 0 0 329.272 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc2c1OCCO2 ZINC000726327161 574548436 /nfs/dbraw/zinc/54/84/36/574548436.db2.gz XKNJGWDBZRJGMA-UHFFFAOYSA-N 0 0 329.308 3.031 10 5 EGBERN Cc1[nH]nc2nc(C)cc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC000727003586 574630483 /nfs/dbraw/zinc/63/04/83/574630483.db2.gz ZGVZTXRXKVQDFM-LLVKDONJSA-N 0 0 340.339 3.401 10 5 EGBERN C[C@@H](OC(=O)[C@@H]1CCCN1c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000728167782 574724788 /nfs/dbraw/zinc/72/47/88/574724788.db2.gz UFINSNKUGLLFID-RISCZKNCSA-N 0 0 347.396 3.325 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000728202171 574729409 /nfs/dbraw/zinc/72/94/09/574729409.db2.gz UKBXODVHFCAPPY-DVOMOZLQSA-N 0 0 331.416 3.041 10 5 EGBERN CCCCOc1ccccc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000729084796 574812647 /nfs/dbraw/zinc/81/26/47/574812647.db2.gz POEFHKPRYYPAHL-UHFFFAOYSA-N 0 0 332.356 3.469 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc2ccccc2o1 ZINC000730014229 574903284 /nfs/dbraw/zinc/90/32/84/574903284.db2.gz ZFFSZUADCFAERO-UHFFFAOYSA-N 0 0 340.291 3.084 10 5 EGBERN C[C@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000730298485 574967658 /nfs/dbraw/zinc/96/76/58/574967658.db2.gz NGTUXOMUMTWUQL-ZETCQYMHSA-N 0 0 341.291 3.363 10 5 EGBERN COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000731006575 575043276 /nfs/dbraw/zinc/04/32/76/575043276.db2.gz LRXGAPXIPLNRPO-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN O=C(COC(=O)c1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000731716343 575203510 /nfs/dbraw/zinc/20/35/10/575203510.db2.gz HQILOVJURUPUIZ-UHFFFAOYSA-N 0 0 342.282 3.255 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000733428311 575342971 /nfs/dbraw/zinc/34/29/71/575342971.db2.gz POQXLFJPZXDHLN-SNVBAGLBSA-N 0 0 328.315 3.253 10 5 EGBERN CCOc1ccc(C(=O)OCc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000735129627 575607513 /nfs/dbraw/zinc/60/75/13/575607513.db2.gz PCMAEYONOGPUEK-UHFFFAOYSA-N 0 0 333.344 3.128 10 5 EGBERN C[C@@H](CC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000735209696 575621746 /nfs/dbraw/zinc/62/17/46/575621746.db2.gz DQGZTMKGLGDDJS-AWEZNQCLSA-N 0 0 331.372 3.027 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC(C1CCCC1)C1CCCC1 ZINC000735447836 575662905 /nfs/dbraw/zinc/66/29/05/575662905.db2.gz LAFMYHGJODPXPA-UHFFFAOYSA-N 0 0 334.420 3.047 10 5 EGBERN CC(C)[C@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000739897788 576516822 /nfs/dbraw/zinc/51/68/22/576516822.db2.gz RRDVOYAHRKMFSM-SECBINFHSA-N 0 0 336.360 3.295 10 5 EGBERN Cc1cccc(C2(O)CCN(c3cccnc3[N+](=O)[O-])CC2)c1C ZINC000742416326 576781656 /nfs/dbraw/zinc/78/16/56/576781656.db2.gz VBUQRERQOKFLJS-UHFFFAOYSA-N 0 0 327.384 3.095 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000742421702 576782537 /nfs/dbraw/zinc/78/25/37/576782537.db2.gz QRIOZQALLLFIBT-BJLPKZDCSA-N 0 0 336.413 3.477 10 5 EGBERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000744473233 576829235 /nfs/dbraw/zinc/82/92/35/576829235.db2.gz BJJAFPMAOHDAJO-UHFFFAOYSA-N 0 0 341.298 3.277 10 5 EGBERN C[C@H](OC(=O)[C@](C)(O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000745146179 576842164 /nfs/dbraw/zinc/84/21/64/576842164.db2.gz KFIIUJLBVFPRNQ-SCLBCKFNSA-N 0 0 329.352 3.193 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC2(C1)CCCCC2 ZINC000172937513 1294450563 /nfs/dbraw/zinc/45/05/63/1294450563.db2.gz KIFDIEXTCBEUCF-UHFFFAOYSA-N 0 0 331.372 3.116 10 5 EGBERN COc1cccc(/C(C)=C/C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000176796946 1294632087 /nfs/dbraw/zinc/63/20/87/1294632087.db2.gz NZBWHMROQHOWAF-JLHYYAGUSA-N 0 0 326.352 3.323 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000869929597 1295543523 /nfs/dbraw/zinc/54/35/23/1295543523.db2.gz CJUOFFZJDVTUMS-YZKWQOGNSA-N 0 0 341.310 3.121 10 5 EGBERN C[C@@H](OC(=O)c1cccn(C(C)(C)C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000869976135 1295571270 /nfs/dbraw/zinc/57/12/70/1295571270.db2.gz HYKLMFMQSLMQDU-GFCCVEGCSA-N 0 0 344.367 3.430 10 5 EGBERN COc1cncc(C(=O)O[C@@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])c1C ZINC000870455316 1295882571 /nfs/dbraw/zinc/88/25/71/1295882571.db2.gz XBPCGJJCZYZADA-BDJLRTHQSA-N 0 0 348.330 3.101 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc(Cl)cs1 ZINC000870828174 1296106713 /nfs/dbraw/zinc/10/67/13/1296106713.db2.gz LUXWCAZLFIUXJM-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN Cc1ccc(Cl)cc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829571 1296108101 /nfs/dbraw/zinc/10/81/01/1296108101.db2.gz NEPHGVWDODARGJ-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCCOC1 ZINC000224856168 1296135955 /nfs/dbraw/zinc/13/59/55/1296135955.db2.gz WEGJGIGYYUGHKK-SNVBAGLBSA-N 0 0 344.161 3.118 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1([C@H]2CCCCO2)CCC1 ZINC000871041367 1296193668 /nfs/dbraw/zinc/19/36/68/1296193668.db2.gz ZGKASCGTYKUERS-PYUISTEWSA-N 0 0 344.411 3.464 10 5 EGBERN CC(C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000871162732 1296251043 /nfs/dbraw/zinc/25/10/43/1296251043.db2.gz HVSJHKGQUSAJST-ZDUSSCGKSA-N 0 0 326.780 3.326 10 5 EGBERN CC(C)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000871168932 1296257030 /nfs/dbraw/zinc/25/70/30/1296257030.db2.gz JUQDGZYDWRTTDQ-ZDUSSCGKSA-N 0 0 342.342 3.151 10 5 EGBERN COc1c(C(=O)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871327247 1296351201 /nfs/dbraw/zinc/35/12/01/1296351201.db2.gz XHRXQHXWHYQYOI-AWEZNQCLSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871328890 1296351564 /nfs/dbraw/zinc/35/15/64/1296351564.db2.gz ISVRWQXLAGOHLW-KRWDZBQOSA-N 0 0 346.427 3.396 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871328891 1296352243 /nfs/dbraw/zinc/35/22/43/1296352243.db2.gz ISVRWQXLAGOHLW-QGZVFWFLSA-N 0 0 346.427 3.396 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CSC2)C1 ZINC000871514022 1296422492 /nfs/dbraw/zinc/42/24/92/1296422492.db2.gz HIKHICANRHAMBT-JTQLQIEISA-N 0 0 338.454 3.087 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000871570747 1296433222 /nfs/dbraw/zinc/43/32/22/1296433222.db2.gz AWQGWDWDAYFISL-LLVKDONJSA-N 0 0 338.791 3.185 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(F)c1F ZINC000871677454 1296476435 /nfs/dbraw/zinc/47/64/35/1296476435.db2.gz LBZJWHYHAUQLQD-BIIVOSGPSA-N 0 0 335.253 3.488 10 5 EGBERN CCCn1c(C)nnc1COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694687 1296484897 /nfs/dbraw/zinc/48/48/97/1296484897.db2.gz RNUHGTTUUQUEHD-UHFFFAOYSA-N 0 0 328.731 3.276 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000871751550 1296516576 /nfs/dbraw/zinc/51/65/76/1296516576.db2.gz JZPOVKPXIWGBCL-KRWDZBQOSA-N 0 0 345.351 3.343 10 5 EGBERN CC(C)(C)c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCC1CC1 ZINC000872007402 1296649434 /nfs/dbraw/zinc/64/94/34/1296649434.db2.gz QKEIPMNXSUKFNR-UHFFFAOYSA-N 0 0 326.418 3.434 10 5 EGBERN C[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000872022049 1296666541 /nfs/dbraw/zinc/66/65/41/1296666541.db2.gz WBODUYLNHRLZAY-RYUDHWBXSA-N 0 0 347.394 3.464 10 5 EGBERN C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043407 1296692857 /nfs/dbraw/zinc/69/28/57/1296692857.db2.gz HWBQNRGBKATXIG-OCCSQVGLSA-N 0 0 349.406 3.176 10 5 EGBERN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079465 1296723076 /nfs/dbraw/zinc/72/30/76/1296723076.db2.gz YRJQRKUTHYPCOQ-RYUDHWBXSA-N 0 0 346.362 3.115 10 5 EGBERN C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085259 1296725697 /nfs/dbraw/zinc/72/56/97/1296725697.db2.gz OEEHVVVGJOSJTH-MRVPVSSYSA-N 0 0 344.268 3.394 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCCc2cccnc21 ZINC000872298963 1296903427 /nfs/dbraw/zinc/90/34/27/1296903427.db2.gz YOFKCPSNZFFQAV-UHFFFAOYSA-N 0 0 340.383 3.161 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000873573256 1297597853 /nfs/dbraw/zinc/59/78/53/1297597853.db2.gz YVHACZLSCGMYJW-IUODEOHRSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)[C@H]1C[C@H](OC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000873575671 1297600395 /nfs/dbraw/zinc/60/03/95/1297600395.db2.gz SLPIOVOXJRTUAM-HUUCEWRRSA-N 0 0 337.372 3.111 10 5 EGBERN CC[C@@H](CCc1cccnc1)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000873586016 1297612104 /nfs/dbraw/zinc/61/21/04/1297612104.db2.gz KGZUBUROZHLXRN-KRWDZBQOSA-N 0 0 328.368 3.487 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000875054522 1298216091 /nfs/dbraw/zinc/21/60/91/1298216091.db2.gz VGNTWWHJUUBJPC-ABKXIKBNSA-N 0 0 338.335 3.040 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1Br ZINC000876257068 1298657410 /nfs/dbraw/zinc/65/74/10/1298657410.db2.gz FDDIDMAYYIAKEB-NWDGAFQWSA-N 0 0 345.168 3.368 10 5 EGBERN COc1ccc(C2CC2)cc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000881559591 1301615407 /nfs/dbraw/zinc/61/54/07/1301615407.db2.gz XDNVHFVWDKGIGR-UHFFFAOYSA-N 0 0 340.379 3.340 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@H](c2cccs2)C1 ZINC000882090980 1301823347 /nfs/dbraw/zinc/82/33/47/1301823347.db2.gz GAMVVCYVGCFFRH-AWEZNQCLSA-N 0 0 332.381 3.437 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC2(C1)Oc1ccccc1O2 ZINC000882380979 1301939338 /nfs/dbraw/zinc/93/93/38/1301939338.db2.gz WNCSRFTVIAVQPG-UHFFFAOYSA-N 0 0 340.335 3.175 10 5 EGBERN C/C(=C/C(=O)N1CCC(O)(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000884981447 1303018539 /nfs/dbraw/zinc/01/85/39/1303018539.db2.gz PMNIVRPWMGEMCY-YPKPFQOOSA-N 0 0 344.411 3.152 10 5 EGBERN COc1ccc(CCC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000885367092 1303117703 /nfs/dbraw/zinc/11/77/03/1303117703.db2.gz QBUUXMQRUSDXBY-LBPRGKRZSA-N 0 0 330.340 3.235 10 5 EGBERN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ncco1 ZINC000886540935 1303492413 /nfs/dbraw/zinc/49/24/13/1303492413.db2.gz MZZRPIHSLZYXDF-QMMMGPOBSA-N 0 0 326.150 3.196 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000887089944 1303670095 /nfs/dbraw/zinc/67/00/95/1303670095.db2.gz AUMUYWAWYDGVEU-AHKFDXCISA-N 0 0 330.384 3.216 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000887183676 1303698791 /nfs/dbraw/zinc/69/87/91/1303698791.db2.gz GQBCFJAACBWXCN-HZMBPMFUSA-N 0 0 339.779 3.281 10 5 EGBERN CC(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000887400878 1303780735 /nfs/dbraw/zinc/78/07/35/1303780735.db2.gz LPLHGMDERSRHAV-SNVBAGLBSA-N 0 0 332.381 3.392 10 5 EGBERN CC(=O)c1cncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000888393325 1304145602 /nfs/dbraw/zinc/14/56/02/1304145602.db2.gz TWWPYINAGFKZHT-UHFFFAOYSA-N 0 0 341.367 3.243 10 5 EGBERN Cc1ccc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cc1[N+](=O)[O-] ZINC000888819523 1304288983 /nfs/dbraw/zinc/28/89/83/1304288983.db2.gz XNRKMPBFWZLSDE-KXBFYZLASA-N 0 0 337.379 3.450 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@]1(C)C1CC1 ZINC000890588208 1304826412 /nfs/dbraw/zinc/82/64/12/1304826412.db2.gz MIPJIKCPNTXQHO-LVWOJMJRSA-N 0 0 330.384 3.026 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000893516685 1305943264 /nfs/dbraw/zinc/94/32/64/1305943264.db2.gz AEDXXSKQJBREAJ-FZMZJTMJSA-N 0 0 347.396 3.269 10 5 EGBERN CC/C(C)=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893617401 1305987703 /nfs/dbraw/zinc/98/77/03/1305987703.db2.gz BDYCZYPRXWQPKE-TWGQIWQCSA-N 0 0 327.178 3.330 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893852975 1306098636 /nfs/dbraw/zinc/09/86/36/1306098636.db2.gz IOENJDJAKDXSLY-RISCZKNCSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@H](NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000893859171 1306100735 /nfs/dbraw/zinc/10/07/35/1306100735.db2.gz SGVDJQHQTXJBRL-OHKBXWSGSA-N 0 0 332.400 3.320 10 5 EGBERN CN(Cc1ccns1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894056908 1306194979 /nfs/dbraw/zinc/19/49/79/1306194979.db2.gz DHRQBXQDPLXIBA-UHFFFAOYSA-N 0 0 331.397 3.132 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894267725 1306312161 /nfs/dbraw/zinc/31/21/61/1306312161.db2.gz BHDYSHXJYBFCCP-ZDUSSCGKSA-N 0 0 343.383 3.345 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894403715 1308857631 /nfs/dbraw/zinc/85/76/31/1308857631.db2.gz XYCMDJWQWPRQNA-LBPRGKRZSA-N 0 0 338.791 3.246 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000894492350 1308920235 /nfs/dbraw/zinc/92/02/35/1308920235.db2.gz BSCSPSNNKGYAJU-INIZCTEOSA-N 0 0 346.427 3.338 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000894529716 1308939951 /nfs/dbraw/zinc/93/99/51/1308939951.db2.gz WMNGNASZSKOZBN-CJNGLKHVSA-N 0 0 332.400 3.164 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC2(CCC2)CO1 ZINC000894530850 1308940279 /nfs/dbraw/zinc/94/02/79/1308940279.db2.gz OCCQNIYVQSNRKV-IEXSPKMKSA-N 0 0 330.384 3.074 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894697502 1309027195 /nfs/dbraw/zinc/02/71/95/1309027195.db2.gz NVHGHVOVNMVTPO-KSSFIOAISA-N 0 0 340.379 3.389 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C3CC3)CCC2)cc1OC ZINC000895365801 1309301710 /nfs/dbraw/zinc/30/17/10/1309301710.db2.gz OXTHOWOJMHXWCR-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCS[C@H](C(F)(F)F)C1 ZINC000895595463 1309420662 /nfs/dbraw/zinc/42/06/62/1309420662.db2.gz MWCIRJWJEWYTPJ-NSHDSACASA-N 0 0 334.319 3.282 10 5 EGBERN CCOc1cc(N[C@H]2c3ccccc3CC[C@H]2O)ccc1[N+](=O)[O-] ZINC000896673291 1309969655 /nfs/dbraw/zinc/96/96/55/1309969655.db2.gz ZRWDOAQAGYTHQN-AEFFLSMTSA-N 0 0 328.368 3.454 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3nc4ccc([N+](=O)[O-])cc4s3)[C@@H]2C1 ZINC000897009833 1310133658 /nfs/dbraw/zinc/13/36/58/1310133658.db2.gz CVTXUERBMOXVPK-PFWNZEGQSA-N 0 0 347.396 3.204 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)c3cccc(F)c3)no2)n1 ZINC000897076921 1310169182 /nfs/dbraw/zinc/16/91/82/1310169182.db2.gz KQFSYTSAIAPISR-VIFPVBQESA-N 0 0 331.307 3.152 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898411806 1310723760 /nfs/dbraw/zinc/72/37/60/1310723760.db2.gz UDLXLPBFSNZKLY-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN Nc1c(C(=O)N2CC(CC3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000899041805 1310917019 /nfs/dbraw/zinc/91/70/19/1310917019.db2.gz RAWKFHOSVHBLAH-UHFFFAOYSA-N 0 0 325.368 3.202 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@]12C[C@H]1COC21CCC1 ZINC000929211503 1328537403 /nfs/dbraw/zinc/53/74/03/1328537403.db2.gz JIWHZSXFJTUGHE-BJOHPYRUSA-N 0 0 337.763 3.081 10 5 EGBERN C[C@@H](c1ccc(F)nc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929268179 1328553037 /nfs/dbraw/zinc/55/30/37/1328553037.db2.gz BVOVDQYJDXTMCD-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC2(CC2)C1 ZINC000857600467 1328560296 /nfs/dbraw/zinc/56/02/96/1328560296.db2.gz QJEDVQIQAQAXSA-UHFFFAOYSA-N 0 0 325.162 3.486 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000857599562 1328560517 /nfs/dbraw/zinc/56/05/17/1328560517.db2.gz FTBONOXKEAFIJR-PSASIEDQSA-N 0 0 343.177 3.111 10 5 EGBERN CC[C@@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000857640069 1328572584 /nfs/dbraw/zinc/57/25/84/1328572584.db2.gz BMRHSVNSCPUGAZ-CYBMUJFWSA-N 0 0 349.299 3.207 10 5 EGBERN C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000929394497 1328587700 /nfs/dbraw/zinc/58/77/00/1328587700.db2.gz YRWBDZOHIMLGFN-NSHDSACASA-N 0 0 333.775 3.453 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857968498 1328643660 /nfs/dbraw/zinc/64/36/60/1328643660.db2.gz LRPQUJLVQFQLCY-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1 ZINC000858038802 1328668305 /nfs/dbraw/zinc/66/83/05/1328668305.db2.gz PBNXCIMKZNMMEG-HNNXBMFYSA-N 0 0 331.347 3.091 10 5 EGBERN CC(C)n1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1Cl ZINC000858287578 1328730257 /nfs/dbraw/zinc/73/02/57/1328730257.db2.gz DLXZYIRTGKANGY-UHFFFAOYSA-N 0 0 334.763 3.229 10 5 EGBERN CCOc1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000929932282 1328741087 /nfs/dbraw/zinc/74/10/87/1328741087.db2.gz CKMMWOGWCHLJMI-UHFFFAOYSA-N 0 0 346.358 3.382 10 5 EGBERN CC[C@@H]1C[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000913385272 1319020671 /nfs/dbraw/zinc/02/06/71/1319020671.db2.gz VTMQNSJATAOMMO-GHMZBOCLSA-N 0 0 344.770 3.209 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)c2ccc(O)c(C)c2)c1 ZINC000913530655 1319056821 /nfs/dbraw/zinc/05/68/21/1319056821.db2.gz NBZUTZFQPSNHLX-UHFFFAOYSA-N 0 0 344.367 3.349 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)CC2CCCCC2)c1C ZINC000913789540 1319127065 /nfs/dbraw/zinc/12/70/65/1319127065.db2.gz MSYUBVXZBATWNA-UHFFFAOYSA-N 0 0 332.400 3.481 10 5 EGBERN C[C@H](NS(=O)(=O)CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000913943879 1319187216 /nfs/dbraw/zinc/18/72/16/1319187216.db2.gz YSRIUSIWWGICCJ-JTQLQIEISA-N 0 0 336.360 3.011 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000858644748 1328815171 /nfs/dbraw/zinc/81/51/71/1328815171.db2.gz FDGYHKWTKHKUCI-HWKANZROSA-N 0 0 336.241 3.093 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000858651612 1328817150 /nfs/dbraw/zinc/81/71/50/1328817150.db2.gz PUSSTVUZUWCRPS-UTUOFQBUSA-N 0 0 335.360 3.152 10 5 EGBERN C[C@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238998 1319273889 /nfs/dbraw/zinc/27/38/89/1319273889.db2.gz PIEPHPCYMXOHFT-BBRMVZONSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000914238468 1319274109 /nfs/dbraw/zinc/27/41/09/1319274109.db2.gz FOQGNJTVZGUZFY-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000915129795 1319430024 /nfs/dbraw/zinc/43/00/24/1319430024.db2.gz OMKQOPPMNZPFCZ-MEDUHNTESA-N 0 0 340.335 3.409 10 5 EGBERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000915129495 1319430267 /nfs/dbraw/zinc/43/02/67/1319430267.db2.gz JUUXUPVRBGLVKM-ZBEGNZNMSA-N 0 0 340.335 3.409 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000858716052 1328837437 /nfs/dbraw/zinc/83/74/37/1328837437.db2.gz CQTMGTWMGODPMX-GOSISDBHSA-N 0 0 327.384 3.095 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000917089188 1319753071 /nfs/dbraw/zinc/75/30/71/1319753071.db2.gz DZZHTWYEGSJVJZ-DAXSKMNVSA-N 0 0 347.758 3.442 10 5 EGBERN CN(C[C@@H]1CCCCO1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930440714 1328854851 /nfs/dbraw/zinc/85/48/51/1328854851.db2.gz DZXPRCWSTUDKEU-LBPRGKRZSA-N 0 0 340.807 3.208 10 5 EGBERN CCN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858770899 1328856919 /nfs/dbraw/zinc/85/69/19/1328856919.db2.gz WNZPECXMCLOJMB-ZDUSSCGKSA-N 0 0 328.368 3.247 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000858779800 1328858908 /nfs/dbraw/zinc/85/89/08/1328858908.db2.gz XOUWRRAQOCMIGX-VXGBXAGGSA-N 0 0 336.392 3.190 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000858854334 1328876681 /nfs/dbraw/zinc/87/66/81/1328876681.db2.gz VUTWJWPCKOWEFG-LBPRGKRZSA-N 0 0 335.360 3.296 10 5 EGBERN C/C=C\C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000858864364 1328878866 /nfs/dbraw/zinc/87/88/66/1328878866.db2.gz XNWKXJGOPQPJLG-DHCBQETCSA-N 0 0 338.429 3.181 10 5 EGBERN Cc1cc(NC(=O)N2CCC(O)(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000930732880 1328952587 /nfs/dbraw/zinc/95/25/87/1328952587.db2.gz XEEJKMSVMVQFKG-UHFFFAOYSA-N 0 0 333.388 3.062 10 5 EGBERN CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000930768108 1328964162 /nfs/dbraw/zinc/96/41/62/1328964162.db2.gz JLHHGSSNZOTXLO-RYUDHWBXSA-N 0 0 347.293 3.255 10 5 EGBERN COCC1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859337793 1328972400 /nfs/dbraw/zinc/97/24/00/1328972400.db2.gz QNVWYKTWJRKNCH-UHFFFAOYSA-N 0 0 328.368 3.247 10 5 EGBERN CN(CCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000859382636 1328980418 /nfs/dbraw/zinc/98/04/18/1328980418.db2.gz XVULNJVCSNIXEA-UHFFFAOYSA-N 0 0 341.411 3.110 10 5 EGBERN C[C@H](OC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000920155560 1322145553 /nfs/dbraw/zinc/14/55/53/1322145553.db2.gz WWIIBNKCPFNGQT-NSHDSACASA-N 0 0 345.355 3.033 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@H]3CC4(CCC4)CO3)n2)c1 ZINC000920416906 1322175074 /nfs/dbraw/zinc/17/50/74/1322175074.db2.gz FWWZYOSAOHYEPB-CYBMUJFWSA-N 0 0 348.790 3.466 10 5 EGBERN C[C@H](OC(=O)c1ccc(NC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000920538421 1322191321 /nfs/dbraw/zinc/19/13/21/1322191321.db2.gz DIUKPNXNAUTYIN-NSHDSACASA-N 0 0 327.340 3.482 10 5 EGBERN CC[C@@H]1CCCC[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000921000372 1322242371 /nfs/dbraw/zinc/24/23/71/1322242371.db2.gz UXCBGJMQRMYSLP-DOMZBBRYSA-N 0 0 337.372 3.494 10 5 EGBERN O=C(NC[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859538989 1329012412 /nfs/dbraw/zinc/01/24/12/1329012412.db2.gz KIBNSYIVIWPZHM-SUMWQHHRSA-N 0 0 328.368 3.029 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000921334300 1322295166 /nfs/dbraw/zinc/29/51/66/1322295166.db2.gz JMQARJRAGKXPTQ-NVXWUHKLSA-N 0 0 335.404 3.304 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000922132208 1322462368 /nfs/dbraw/zinc/46/23/68/1322462368.db2.gz UPDVPSGDMNUKLO-JOYOIKCWSA-N 0 0 344.770 3.322 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922217047 1322480678 /nfs/dbraw/zinc/48/06/78/1322480678.db2.gz CYATXQLRGKICTO-GXSJLCMTSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(CCOc1cccc([N+](=O)[O-])c1)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922339064 1322504864 /nfs/dbraw/zinc/50/48/64/1322504864.db2.gz OKSUIPXZMCSRJR-ZOZIMZAQSA-N 0 0 341.310 3.198 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1F ZINC000922354373 1322508644 /nfs/dbraw/zinc/50/86/44/1322508644.db2.gz CGXWOLMFJWHWKD-GZMMTYOYSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1F ZINC000922372793 1322511915 /nfs/dbraw/zinc/51/19/15/1322511915.db2.gz GWWZJBDUGLJWFN-GZMMTYOYSA-N 0 0 337.225 3.001 10 5 EGBERN C[C@@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922437621 1322528523 /nfs/dbraw/zinc/52/85/23/1322528523.db2.gz KNGMMVZWWTYTSH-SECBINFHSA-N 0 0 331.294 3.298 10 5 EGBERN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C1CC1 ZINC000923199296 1322710362 /nfs/dbraw/zinc/71/03/62/1322710362.db2.gz PLKVMOCHLZQTLP-RISCZKNCSA-N 0 0 325.748 3.107 10 5 EGBERN CC(C)C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)n1ccnc1 ZINC000923761766 1322804517 /nfs/dbraw/zinc/80/45/17/1322804517.db2.gz SNZMYEGMTVVQPY-AWEZNQCLSA-N 0 0 327.344 3.477 10 5 EGBERN C[C@H]1C[C@H](c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCO1 ZINC000923945131 1322852861 /nfs/dbraw/zinc/85/28/61/1322852861.db2.gz ZGUPVRNJZYGMLT-CMPLNLGQSA-N 0 0 335.335 3.185 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H]3CC[C@H](C4CC4)O3)n2)ccc1[N+](=O)[O-] ZINC000923946653 1322853651 /nfs/dbraw/zinc/85/36/51/1322853651.db2.gz QNWSYDRZWKBGRB-GOEBONIOSA-N 0 0 343.383 3.377 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccccc1 ZINC000923960234 1322855745 /nfs/dbraw/zinc/85/57/45/1322855745.db2.gz RAHTYYXNCAOFDA-SJKOYZFVSA-N 0 0 325.368 3.400 10 5 EGBERN CCc1onc(C)c1COC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923961307 1322856678 /nfs/dbraw/zinc/85/66/78/1322856678.db2.gz IMHHGSATUBEPIQ-UHFFFAOYSA-N 0 0 336.319 3.269 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCC1(O)CCC1 ZINC000923967399 1322859463 /nfs/dbraw/zinc/85/94/63/1322859463.db2.gz ODJCMOCVYLWJPL-UHFFFAOYSA-N 0 0 327.764 3.029 10 5 EGBERN CC(C)c1ccoc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859686018 1329054433 /nfs/dbraw/zinc/05/44/33/1329054433.db2.gz ZXESUHSYRUIDAF-UHFFFAOYSA-N 0 0 335.287 3.490 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1CCC(C)C ZINC000931132793 1329056494 /nfs/dbraw/zinc/05/64/94/1329056494.db2.gz DYLZFGQOITYXRR-UHFFFAOYSA-N 0 0 330.388 3.327 10 5 EGBERN C[C@H](c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000924174432 1322924122 /nfs/dbraw/zinc/92/41/22/1322924122.db2.gz UCUQEJHMMIYBAE-HZMBPMFUSA-N 0 0 335.335 3.185 10 5 EGBERN Cn1nc(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000859703779 1329058650 /nfs/dbraw/zinc/05/86/50/1329058650.db2.gz DBLUYPZVGGNQIX-UHFFFAOYSA-N 0 0 337.763 3.003 10 5 EGBERN O=C(C[C@@H]1CCCC1(F)F)OCCOc1ccccc1[N+](=O)[O-] ZINC000924333332 1322986275 /nfs/dbraw/zinc/98/62/75/1322986275.db2.gz VFJAXQMXXSEDBY-NSHDSACASA-N 0 0 329.299 3.342 10 5 EGBERN C[C@]1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C=CCC1 ZINC000924402170 1323008940 /nfs/dbraw/zinc/00/89/40/1323008940.db2.gz SIZFUYWPFPCMEK-HNNXBMFYSA-N 0 0 338.747 3.086 10 5 EGBERN O=C(COC(=O)C1(C2CCC2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859716945 1329062402 /nfs/dbraw/zinc/06/24/02/1329062402.db2.gz KPYVAAQRERZNPD-UHFFFAOYSA-N 0 0 335.331 3.430 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924494882 1323037566 /nfs/dbraw/zinc/03/75/66/1323037566.db2.gz OGWUIYUWCZFDLW-JQWIXIFHSA-N 0 0 347.293 3.135 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2ccc(C=O)cc2)c([N+](=O)[O-])c1 ZINC000931261309 1329081193 /nfs/dbraw/zinc/08/11/93/1329081193.db2.gz SKEUEJQMUWCGJB-UITAMQMPSA-N 0 0 327.292 3.386 10 5 EGBERN C[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCCO1 ZINC000931297443 1329088358 /nfs/dbraw/zinc/08/83/58/1329088358.db2.gz IKSYOXQZYULUHS-CQSZACIVSA-N 0 0 327.768 3.329 10 5 EGBERN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297675 1329088466 /nfs/dbraw/zinc/08/84/66/1329088466.db2.gz NFNHSUHOJLCNAT-GXFFZTMASA-N 0 0 339.779 3.327 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC1(c2ccccc2)CC1 ZINC000931580726 1329148513 /nfs/dbraw/zinc/14/85/13/1329148513.db2.gz OFJIBJKNEKVSGG-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN O=C(N[C@H]1CC[C@H](CO)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860162372 1329163266 /nfs/dbraw/zinc/16/32/66/1329163266.db2.gz NNUKKWYXJXRNDM-MQMHXKEQSA-N 0 0 328.368 3.029 10 5 EGBERN CC(C)n1ncc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000860210715 1329175073 /nfs/dbraw/zinc/17/50/73/1329175073.db2.gz XFJFRYLFLOABHN-UHFFFAOYSA-N 0 0 337.763 3.425 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC000860263571 1329184912 /nfs/dbraw/zinc/18/49/12/1329184912.db2.gz WBWNSCJTZLPFTO-RISCZKNCSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860555223 1329330104 /nfs/dbraw/zinc/33/01/04/1329330104.db2.gz GOYMYYJDYLMEEB-CHWSQXEVSA-N 0 0 328.368 3.293 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000927283132 1327953918 /nfs/dbraw/zinc/95/39/18/1327953918.db2.gz PIIXUADUWAHESY-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000927294477 1327960460 /nfs/dbraw/zinc/96/04/60/1327960460.db2.gz NZRVPRFCHKVLLK-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN COc1cccc(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000927307934 1327966585 /nfs/dbraw/zinc/96/65/85/1327966585.db2.gz RPMDUGPXFSTPCE-KUHUBIRLSA-N 0 0 338.363 3.017 10 5 EGBERN CSC1CCC(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000927379503 1327994499 /nfs/dbraw/zinc/99/44/99/1327994499.db2.gz RNBDTOQLKIVWFP-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN CSC1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000927389958 1328000648 /nfs/dbraw/zinc/00/06/48/1328000648.db2.gz QBRFWRUQUOZLSE-UHFFFAOYSA-N 0 0 338.429 3.012 10 5 EGBERN O=C(O[C@@H]1CCC=CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000861231811 1329399925 /nfs/dbraw/zinc/39/99/25/1329399925.db2.gz RJIRQSMEALSETK-CQSZACIVSA-N 0 0 342.355 3.221 10 5 EGBERN CC[C@]1(C)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000861208430 1329397554 /nfs/dbraw/zinc/39/75/54/1329397554.db2.gz CZZVHYVHTMMSAD-GOSISDBHSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928144432 1328216045 /nfs/dbraw/zinc/21/60/45/1328216045.db2.gz XHKFQOZPUCCCJD-RYBZSIHZSA-N 0 0 346.330 3.114 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000928194829 1328229848 /nfs/dbraw/zinc/22/98/48/1328229848.db2.gz WPCIPHKZFMYIAK-LLVKDONJSA-N 0 0 348.790 3.002 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncccn1)C1CC1 ZINC000928581216 1328361470 /nfs/dbraw/zinc/36/14/70/1328361470.db2.gz LUQVDRQGGOICGL-JNSOCZORSA-N 0 0 338.367 3.056 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CC1(F)F ZINC000861446377 1329418904 /nfs/dbraw/zinc/41/89/04/1329418904.db2.gz UHWKVRJJHNWUNW-RKDXNWHRSA-N 0 0 325.189 3.397 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1CCCCO1 ZINC000861445045 1329418930 /nfs/dbraw/zinc/41/89/30/1329418930.db2.gz WDSDRUXBYKUENN-NWDGAFQWSA-N 0 0 333.262 3.311 10 5 EGBERN O=C(N[C@H](CO)CC1CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861463378 1329419738 /nfs/dbraw/zinc/41/97/38/1329419738.db2.gz WLOZTWMSIDHBSB-AWEZNQCLSA-N 0 0 328.368 3.029 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000929115021 1328508418 /nfs/dbraw/zinc/50/84/18/1328508418.db2.gz FOATVHHQFCNNTB-NSHDSACASA-N 0 0 332.385 3.148 10 5 EGBERN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000929133098 1328514743 /nfs/dbraw/zinc/51/47/43/1328514743.db2.gz KBAGSOWPUKBAHB-NWDGAFQWSA-N 0 0 332.278 3.423 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H](CCO)CC1 ZINC000862022623 1329455384 /nfs/dbraw/zinc/45/53/84/1329455384.db2.gz YDPSSEWOUDKIJN-AWEZNQCLSA-N 0 0 342.395 3.373 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@](C)(C(F)F)O1 ZINC000862242162 1329469892 /nfs/dbraw/zinc/46/98/92/1329469892.db2.gz YVJPRFUKPROOEB-RTHLEPHNSA-N 0 0 348.733 3.133 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CO2 ZINC000862533142 1329493303 /nfs/dbraw/zinc/49/33/03/1329493303.db2.gz NXBRLOZGWWKSAL-CYBMUJFWSA-N 0 0 344.342 3.084 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@](O)(c2ccccc2)C1 ZINC000862803987 1329511621 /nfs/dbraw/zinc/51/16/21/1329511621.db2.gz RIBQBROFXYHCGV-LJQANCHMSA-N 0 0 340.379 3.027 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cccc3c2OC(C)(C)CC3)c1[N+](=O)[O-] ZINC000863048505 1329526141 /nfs/dbraw/zinc/52/61/41/1329526141.db2.gz SMYODNRLRBUSHZ-UHFFFAOYSA-N 0 0 344.371 3.236 10 5 EGBERN CCc1[nH]nc(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000863599829 1329565303 /nfs/dbraw/zinc/56/53/03/1329565303.db2.gz DLANSLVRKKVDAG-UHFFFAOYSA-N 0 0 346.362 3.385 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000864641750 1329633423 /nfs/dbraw/zinc/63/34/23/1329633423.db2.gz KEWHVEWPEZMWNE-UHFFFAOYSA-N 0 0 346.358 3.122 10 5 EGBERN Cc1cc(CNC(=S)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000865230591 1329678299 /nfs/dbraw/zinc/67/82/99/1329678299.db2.gz RVUJQYOHURIRLM-UHFFFAOYSA-N 0 0 348.428 3.176 10 5 EGBERN C[C@]1(c2ccccc2)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865604967 1329718689 /nfs/dbraw/zinc/71/86/89/1329718689.db2.gz ITXOGEOYNSHAMR-SFHVURJKSA-N 0 0 330.359 3.394 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCC(c3ccccn3)CC2)cc1F ZINC000865639102 1329723772 /nfs/dbraw/zinc/72/37/72/1329723772.db2.gz NSUKSHBXSVRAMN-UHFFFAOYSA-N 0 0 331.347 3.005 10 5 EGBERN Cc1nc2c(s1)[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)CCC2 ZINC000865666143 1329726885 /nfs/dbraw/zinc/72/68/85/1329726885.db2.gz KRUJSPXPWCWUDE-GFCCVEGCSA-N 0 0 337.376 3.481 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC23CCSCC3)cc1F ZINC000865883325 1329748829 /nfs/dbraw/zinc/74/88/29/1329748829.db2.gz LSSSMJACSHLYCG-LLVKDONJSA-N 0 0 326.393 3.171 10 5 EGBERN CCn1nnc(C)c1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865898396 1329750129 /nfs/dbraw/zinc/75/01/29/1329750129.db2.gz FDQCZAVWJALDPW-UHFFFAOYSA-N 0 0 330.175 3.434 10 5 EGBERN CO[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000865930049 1329752463 /nfs/dbraw/zinc/75/24/63/1329752463.db2.gz HGTWFHVXDDLXOQ-LDYMZIIASA-N 0 0 335.187 3.365 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC=CCC1 ZINC000865967184 1329755227 /nfs/dbraw/zinc/75/52/27/1329755227.db2.gz QORHDLZWKVENOF-LLVKDONJSA-N 0 0 339.189 3.125 10 5 EGBERN CCC[C@H](O)CCCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866033428 1329760372 /nfs/dbraw/zinc/76/03/72/1329760372.db2.gz NJTHKFWLIPYFRO-NSHDSACASA-N 0 0 347.458 3.032 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H]2[C@H](O)c2ccccc2)nc2sccn21 ZINC000866053177 1330059817 /nfs/dbraw/zinc/05/98/17/1330059817.db2.gz OUTFYUIARHJMSW-QWHCGFSZSA-N 0 0 344.396 3.006 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000866147895 1330070953 /nfs/dbraw/zinc/07/09/53/1330070953.db2.gz ZGWWQDAHXBDXNG-OAHLLOKOSA-N 0 0 348.399 3.309 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@](F)(c4ccccc4)C3)nn21 ZINC000866149217 1330070956 /nfs/dbraw/zinc/07/09/56/1330070956.db2.gz IDKDFLMWLCHMTG-KRWDZBQOSA-N 0 0 341.346 3.103 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CC3(CO2)CCOCC3)c1 ZINC000866175867 1330073705 /nfs/dbraw/zinc/07/37/05/1330073705.db2.gz OXHOEMOQVJMLPI-OAHLLOKOSA-N 0 0 343.383 3.141 10 5 EGBERN COc1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1[N+](=O)[O-] ZINC000866248481 1330085245 /nfs/dbraw/zinc/08/52/45/1330085245.db2.gz CVHACQFCUQJPJQ-GUYCJALGSA-N 0 0 332.331 3.165 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480888 1330117368 /nfs/dbraw/zinc/11/73/68/1330117368.db2.gz MAPKFXWBOXHUPZ-JKSUJKDBSA-N 0 0 346.456 3.293 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000866853587 1330152538 /nfs/dbraw/zinc/15/25/38/1330152538.db2.gz GKVBUUKNDZQZBN-WUJZJPHMSA-N 0 0 344.411 3.291 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000867107099 1330175697 /nfs/dbraw/zinc/17/56/97/1330175697.db2.gz INVCNHTYUQYXHJ-HFCFLWKCSA-N 0 0 344.411 3.291 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000867292651 1330191667 /nfs/dbraw/zinc/19/16/67/1330191667.db2.gz CBELUZDJZRIWEW-LLVKDONJSA-N 0 0 335.360 3.306 10 5 EGBERN Cc1cncc([C@H]2CCCN2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000868062947 1330245244 /nfs/dbraw/zinc/24/52/44/1330245244.db2.gz PUPCLYUHXOMMDH-MRXNPFEDSA-N 0 0 340.383 3.345 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000868120926 1330251804 /nfs/dbraw/zinc/25/18/04/1330251804.db2.gz ATKZIJVHIWPUMM-MJEQTWJJSA-N 0 0 347.415 3.160 10 5 EGBERN O=C(NCC[C@H]1CCSC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000868392291 1330276152 /nfs/dbraw/zinc/27/61/52/1330276152.db2.gz WYWAGCJNWMJFRJ-JTQLQIEISA-N 0 0 343.836 3.191 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@]12C[C@H]1CCCC2 ZINC000868404426 1330277515 /nfs/dbraw/zinc/27/75/15/1330277515.db2.gz LYUVLEOOAAHWDD-FZKQIMNGSA-N 0 0 327.384 3.315 10 5 EGBERN CCC1(C)CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868484556 1330285264 /nfs/dbraw/zinc/28/52/64/1330285264.db2.gz ZKAXDRDDZGSKLC-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN C[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000868609329 1330299582 /nfs/dbraw/zinc/29/95/82/1330299582.db2.gz VBJNXKXEIVDZQZ-LBPRGKRZSA-N 0 0 343.383 3.003 10 5 EGBERN COc1cccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000868790693 1330344651 /nfs/dbraw/zinc/34/46/51/1330344651.db2.gz FDHYVBPHRBSRSG-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000869054137 1330404171 /nfs/dbraw/zinc/40/41/71/1330404171.db2.gz HKYZPUZFMSACNO-KRWDZBQOSA-N 0 0 349.456 3.332 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000869055120 1330404756 /nfs/dbraw/zinc/40/47/56/1330404756.db2.gz QYMCGZVKJFZZGU-OAHLLOKOSA-N 0 0 335.404 3.002 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000869264312 1330448842 /nfs/dbraw/zinc/44/88/42/1330448842.db2.gz WBSDBRIUYGQYRK-CTYIDZIISA-N 0 0 344.342 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@@H]2CCSC2)c1F ZINC000869596898 1330530498 /nfs/dbraw/zinc/53/04/98/1330530498.db2.gz XLFWBXUNXSNPDL-SECBINFHSA-N 0 0 330.356 3.054 10 5 EGBERN Cc1nnc([C@H](C)OC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000869811723 1330569423 /nfs/dbraw/zinc/56/94/23/1330569423.db2.gz USHRBPIFBLGCJQ-JTQLQIEISA-N 0 0 347.396 3.481 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000869897448 1330585579 /nfs/dbraw/zinc/58/55/79/1330585579.db2.gz UNYLOVWRIVXXEH-UHFFFAOYSA-N 0 0 348.330 3.212 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1COc3ccccc3O1)CCCC2 ZINC001184750230 1387527697 /nfs/dbraw/zinc/52/76/97/1387527697.db2.gz JRKMDWADGWWIFL-CYBMUJFWSA-N 0 0 341.367 3.121 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CCCc2ccccc21 ZINC001185137557 1387625088 /nfs/dbraw/zinc/62/50/88/1387625088.db2.gz VDXLJFHBINRATJ-UHFFFAOYSA-N 0 0 342.355 3.368 10 5 EGBERN COc1cccc2c1OC[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1F)C2 ZINC001185254362 1387659943 /nfs/dbraw/zinc/65/99/43/1387659943.db2.gz UJJHQJYKTQKRNJ-LBPRGKRZSA-N 0 0 332.331 3.467 10 5 EGBERN COc1cc(Nc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC001185338161 1387687510 /nfs/dbraw/zinc/68/75/10/1387687510.db2.gz HZYQSLYHQYLRGZ-UHFFFAOYSA-N 0 0 346.265 3.114 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[C@]1(C)c1ccccc1 ZINC001185555418 1387746740 /nfs/dbraw/zinc/74/67/40/1387746740.db2.gz QSRATJSMJDXPJD-IINYFYTJSA-N 0 0 340.305 3.489 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCc2c[nH]nc2C1 ZINC001185888608 1387825056 /nfs/dbraw/zinc/82/50/56/1387825056.db2.gz LEGPEFBMYGJCAU-UHFFFAOYSA-N 0 0 329.747 3.082 10 5 EGBERN COCCCOCCN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185930472 1387829257 /nfs/dbraw/zinc/82/92/57/1387829257.db2.gz KZTIKAOCJKYQFA-UHFFFAOYSA-N 0 0 336.310 3.103 10 5 EGBERN CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC001192260870 1367733294 /nfs/dbraw/zinc/73/32/94/1367733294.db2.gz AAIFFLVRPIAYDB-ZDUSSCGKSA-N 0 0 343.221 3.358 10 5 EGBERN CO[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC001186500720 1387955689 /nfs/dbraw/zinc/95/56/89/1387955689.db2.gz VKBKIOYAMQWUAO-HNNXBMFYSA-N 0 0 338.367 3.208 10 5 EGBERN C[C@@H]1CCC[C@]1(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001186571628 1387971561 /nfs/dbraw/zinc/97/15/61/1387971561.db2.gz NNWURQMNKHHNQO-HWPZZCPQSA-N 0 0 335.791 3.181 10 5 EGBERN CC[C@](CNc1cc(C)c([N+](=O)[O-])cn1)(C(=O)OC)c1ccccc1 ZINC001186681419 1387997911 /nfs/dbraw/zinc/99/79/11/1387997911.db2.gz RVDSYHQTGWZNJE-GOSISDBHSA-N 0 0 343.383 3.231 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1COc2ccc(F)cc2C1 ZINC001116400787 1370903608 /nfs/dbraw/zinc/90/36/08/1370903608.db2.gz MHWWAYUHMDWVPF-LLVKDONJSA-N 0 0 337.328 3.090 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cncc(OCC(F)F)c1 ZINC001116927639 1371003017 /nfs/dbraw/zinc/00/30/17/1371003017.db2.gz XSNPFLLTVZQSGM-UHFFFAOYSA-N 0 0 344.295 3.052 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311750 1371162362 /nfs/dbraw/zinc/16/23/62/1371162362.db2.gz JIXMJWRPMZBIQM-INIZCTEOSA-N 0 0 345.399 3.112 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001326192525 1388126413 /nfs/dbraw/zinc/12/64/13/1388126413.db2.gz ILSWHUDWUGCSPE-NWDGAFQWSA-N 0 0 345.355 3.318 10 5 EGBERN CCNc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC001119441723 1371341927 /nfs/dbraw/zinc/34/19/27/1371341927.db2.gz SCMKZVFLQURBIP-UHFFFAOYSA-N 0 0 348.790 3.313 10 5 EGBERN O=[N+]([O-])c1cn(COc2ccc(Br)cc2)nc1C1CC1 ZINC001119673478 1371385580 /nfs/dbraw/zinc/38/55/80/1371385580.db2.gz MHIUPQCQQPLSKM-UHFFFAOYSA-N 0 0 338.161 3.468 10 5 EGBERN COC(=O)c1ccnc(Nc2ccc3sc(C)nc3c2)c1[N+](=O)[O-] ZINC001187694191 1388145035 /nfs/dbraw/zinc/14/50/35/1388145035.db2.gz JEQZLEDFEZEQBY-UHFFFAOYSA-N 0 0 344.352 3.438 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nnc(-c2cnn(-c3ccccc3)c2)o1 ZINC001326319177 1388152384 /nfs/dbraw/zinc/15/23/84/1388152384.db2.gz IUJKPHJOTGNXIQ-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(C2CCC2)c1 ZINC001187739592 1388153823 /nfs/dbraw/zinc/15/38/23/1388153823.db2.gz BAHNNFWNCVHYBH-UHFFFAOYSA-N 0 0 330.344 3.355 10 5 EGBERN NC(=O)c1ccc(Oc2ncc([N+](=O)[O-])c3ccccc23)c(F)c1 ZINC001187896530 1388186033 /nfs/dbraw/zinc/18/60/33/1388186033.db2.gz GXNUCARTWLFEPE-UHFFFAOYSA-N 0 0 327.271 3.173 10 5 EGBERN O=C(OCc1ccn(C(F)F)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001123037758 1372367217 /nfs/dbraw/zinc/36/72/17/1372367217.db2.gz DJBXDKFVQQVTMM-STQMWFEESA-N 0 0 337.282 3.033 10 5 EGBERN COc1cccc(C(=O)OC[C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC001123376708 1372446941 /nfs/dbraw/zinc/44/69/41/1372446941.db2.gz SIMLRZZXBRJFJT-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCOC3(CCC3)C2)c1 ZINC001123377318 1372447250 /nfs/dbraw/zinc/44/72/50/1372447250.db2.gz YPAMBPSVFMSOAO-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN COc1ccc(CNC(=O)N2CC=CC23CCCCC3)cc1[N+](=O)[O-] ZINC001123587359 1372517474 /nfs/dbraw/zinc/51/74/74/1372517474.db2.gz CXMXYFFMFLJCQO-UHFFFAOYSA-N 0 0 345.399 3.388 10 5 EGBERN COc1cccc(COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1OC ZINC001124253875 1372687470 /nfs/dbraw/zinc/68/74/70/1372687470.db2.gz GWWUFZUOHPNDTH-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001124396943 1372698415 /nfs/dbraw/zinc/69/84/15/1372698415.db2.gz SRBZILPLCPSGBA-GOSISDBHSA-N 0 0 340.335 3.014 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnc(OC(F)F)c1 ZINC001124396322 1372698433 /nfs/dbraw/zinc/69/84/33/1372698433.db2.gz JGWMGZDRFFPAOC-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001124550381 1372711524 /nfs/dbraw/zinc/71/15/24/1372711524.db2.gz BDIUCEJMMCFTTD-UHFFFAOYSA-N 0 0 340.339 3.173 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@@H]1C[C@@H]1F ZINC001124561264 1372712097 /nfs/dbraw/zinc/71/20/97/1372712097.db2.gz TTYJWWIQNQJDDV-OCCSQVGLSA-N 0 0 328.299 3.122 10 5 EGBERN CCCCN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H](C)CC ZINC001124878294 1372736889 /nfs/dbraw/zinc/73/68/89/1372736889.db2.gz VFBSSPUKAQKQAF-CYBMUJFWSA-N 0 0 345.403 3.216 10 5 EGBERN Cc1cccc(C)c1OCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001125040429 1372748784 /nfs/dbraw/zinc/74/87/84/1372748784.db2.gz QFTIXWJQIAEZOO-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1F ZINC001125167215 1372757429 /nfs/dbraw/zinc/75/74/29/1372757429.db2.gz XLTRCIYFYZOFIS-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN Cc1c(OC(=O)c2cnc(Br)s2)cccc1[N+](=O)[O-] ZINC001125298690 1372767868 /nfs/dbraw/zinc/76/78/68/1372767868.db2.gz VZIJTODVGZCTMW-UHFFFAOYSA-N 0 0 343.158 3.341 10 5 EGBERN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001125333219 1372770818 /nfs/dbraw/zinc/77/08/18/1372770818.db2.gz ONOSGHJJNGNCIZ-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@]1(c2ccccc2)CCCO1 ZINC001125337596 1372771676 /nfs/dbraw/zinc/77/16/76/1372771676.db2.gz NDUKQCDWRNCFEB-QGZVFWFLSA-N 0 0 330.315 3.378 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1cccc1 ZINC001125381923 1372779103 /nfs/dbraw/zinc/77/91/03/1372779103.db2.gz GIJMYQLIGDVJAM-UHFFFAOYSA-N 0 0 335.363 3.358 10 5 EGBERN Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ncccc12 ZINC001125382265 1372779116 /nfs/dbraw/zinc/77/91/16/1372779116.db2.gz LCEDNARKYWOPPQ-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1cn2cc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC001125613629 1372819706 /nfs/dbraw/zinc/81/97/06/1372819706.db2.gz KHJJZHCWYMJAAV-CVEARBPZSA-N 0 0 336.351 3.293 10 5 EGBERN Cc1cn2cc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC001125613630 1372819805 /nfs/dbraw/zinc/81/98/05/1372819805.db2.gz KHJJZHCWYMJAAV-HOTGVXAUSA-N 0 0 336.351 3.293 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C(F)F)c2)cc1Cl ZINC001125619431 1372820147 /nfs/dbraw/zinc/82/01/47/1372820147.db2.gz SVNSVYFRXSMKQN-UHFFFAOYSA-N 0 0 330.678 3.401 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1cc(F)cc(F)c1 ZINC001125759181 1372850347 /nfs/dbraw/zinc/85/03/47/1372850347.db2.gz UFDBSRCZHITXJM-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN O=C(CCc1nnc(C(F)F)o1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001125795661 1372858976 /nfs/dbraw/zinc/85/89/76/1372858976.db2.gz AIENNUHNLVUYHT-UHFFFAOYSA-N 0 0 346.677 3.140 10 5 EGBERN O=C(c1ccc2cccnc2n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001125848937 1372872267 /nfs/dbraw/zinc/87/22/67/1372872267.db2.gz ZIHALGFYDZGKGH-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN O=C(c1ccnc(-n2cccc2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001125910953 1372889186 /nfs/dbraw/zinc/88/91/86/1372889186.db2.gz FIMMQOMFBWBWOW-UHFFFAOYSA-N 0 0 348.362 3.374 10 5 EGBERN C[S@](=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126243485 1372951923 /nfs/dbraw/zinc/95/19/23/1372951923.db2.gz UPOUVKOYFQKKIW-JOWJHRDDSA-N 0 0 344.392 3.074 10 5 EGBERN CCCC[C@@H](COC)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001126268738 1372954068 /nfs/dbraw/zinc/95/40/68/1372954068.db2.gz MUSBWJCEXIWGCE-ZDUSSCGKSA-N 0 0 345.399 3.265 10 5 EGBERN CCc1ccccc1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001126415556 1372963859 /nfs/dbraw/zinc/96/38/59/1372963859.db2.gz VHOVZWLSBSMIFK-UHFFFAOYSA-N 0 0 328.368 3.404 10 5 EGBERN COC(=O)c1cc(COc2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC001188084176 1388238346 /nfs/dbraw/zinc/23/83/46/1388238346.db2.gz LCCXPTNUIXPNHZ-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001126982850 1373062741 /nfs/dbraw/zinc/06/27/41/1373062741.db2.gz IJWLLPRMITZDCC-HZPDHXFCSA-N 0 0 332.400 3.289 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)n1 ZINC001127176607 1373099788 /nfs/dbraw/zinc/09/97/88/1373099788.db2.gz WGTBSAQWGHDQGD-JTQLQIEISA-N 0 0 347.321 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3ccccc3n2C2CC2)n1 ZINC001127307127 1373114077 /nfs/dbraw/zinc/11/40/77/1373114077.db2.gz GIGNCMZZRBLODE-UHFFFAOYSA-N 0 0 337.339 3.235 10 5 EGBERN CN(C)c1nc(Cl)c(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)s1 ZINC001127355791 1373118291 /nfs/dbraw/zinc/11/82/91/1373118291.db2.gz JQNSKOHIVBKENW-UHFFFAOYSA-N 0 0 345.739 3.129 10 5 EGBERN Cc1cc(COC(=O)c2cc(C(F)(F)F)ncn2)ccc1[N+](=O)[O-] ZINC001127413589 1373124990 /nfs/dbraw/zinc/12/49/90/1373124990.db2.gz WQUMWEWIFAFZIS-UHFFFAOYSA-N 0 0 341.245 3.069 10 5 EGBERN Cc1cc(COC(=O)c2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC001127412995 1373125361 /nfs/dbraw/zinc/12/53/61/1373125361.db2.gz LBIWHANVGRIERE-UHFFFAOYSA-N 0 0 332.331 3.465 10 5 EGBERN CCC1(CC)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC001127451585 1373128429 /nfs/dbraw/zinc/12/84/29/1373128429.db2.gz BTYWBGPXCFHSKF-YLFCFFPRSA-N 0 0 346.427 3.408 10 5 EGBERN CC[C@H](OC(=O)c1ccc(C(=O)OC)o1)c1cccc([N+](=O)[O-])c1 ZINC001127624650 1373149196 /nfs/dbraw/zinc/14/91/96/1373149196.db2.gz SHIJMWNYJNMEOI-LBPRGKRZSA-N 0 0 333.296 3.283 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)[C@H]1OC ZINC001127654289 1373153870 /nfs/dbraw/zinc/15/38/70/1373153870.db2.gz FJSJHYDCVPXOAX-APHBMKBZSA-N 0 0 334.416 3.473 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1C ZINC001127680529 1373159500 /nfs/dbraw/zinc/15/95/00/1373159500.db2.gz NFSNQOIAQPKZJI-GYSYKLTISA-N 0 0 335.356 3.348 10 5 EGBERN COc1ccccc1[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001127714050 1373166632 /nfs/dbraw/zinc/16/66/32/1373166632.db2.gz QLEWLUVOSPUCPG-JTQLQIEISA-N 0 0 346.295 3.430 10 5 EGBERN CC[C@@H](OC(=O)[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC001127729975 1373169002 /nfs/dbraw/zinc/16/90/02/1373169002.db2.gz JKXPWNXFZCPLHC-OLZOCXBDSA-N 0 0 327.427 3.438 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(Cl)cn1 ZINC001127864159 1373191905 /nfs/dbraw/zinc/19/19/05/1373191905.db2.gz LTQCWMBZLRFRJV-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCCC23CC3)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967950 1373205098 /nfs/dbraw/zinc/20/50/98/1373205098.db2.gz UUROBEPXAOSDOS-CQSZACIVSA-N 0 0 325.368 3.392 10 5 EGBERN COc1ccc(OC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001128088954 1373216829 /nfs/dbraw/zinc/21/68/29/1373216829.db2.gz BFWNCRNGLMZIFS-DYVFJYSZSA-N 0 0 331.299 3.394 10 5 EGBERN Cc1cc(OCC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001128468266 1373273305 /nfs/dbraw/zinc/27/33/05/1373273305.db2.gz DFHYDQJDVDDQMP-YUELXQCFSA-N 0 0 334.416 3.471 10 5 EGBERN CC(=O)c1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1C ZINC001128527394 1373283553 /nfs/dbraw/zinc/28/35/53/1373283553.db2.gz HWDHVXOALCUTKD-UHFFFAOYSA-N 0 0 326.352 3.078 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H]1CC[C@@H](C)C1 ZINC001128549588 1373288610 /nfs/dbraw/zinc/28/86/10/1373288610.db2.gz HJJOIVLVTQDIRQ-YPMHNXCESA-N 0 0 338.379 3.320 10 5 EGBERN Cc1ccn(-c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 ZINC001128887094 1373321026 /nfs/dbraw/zinc/32/10/26/1373321026.db2.gz CPTGQAVTHVJTCS-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC(C)(CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1 ZINC001129083497 1373344139 /nfs/dbraw/zinc/34/41/39/1373344139.db2.gz RONXMMXPWRKVFM-INIZCTEOSA-N 0 0 345.399 3.030 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCC2=O ZINC001129358529 1373374473 /nfs/dbraw/zinc/37/44/73/1373374473.db2.gz KHVYTEFZOQDSGE-UHFFFAOYSA-N 0 0 340.335 3.375 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001129486413 1373389962 /nfs/dbraw/zinc/38/99/62/1373389962.db2.gz IYNLMHUILYGORQ-UHFFFAOYSA-N 0 0 333.275 3.457 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C2CCC2)CCC1 ZINC001129618674 1373402947 /nfs/dbraw/zinc/40/29/47/1373402947.db2.gz DWPXFLKWROYUOA-UHFFFAOYSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001129819060 1373425539 /nfs/dbraw/zinc/42/55/39/1373425539.db2.gz GIGDRLANCSZCMV-AWEZNQCLSA-N 0 0 341.411 3.330 10 5 EGBERN CSc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC001129863216 1373430473 /nfs/dbraw/zinc/43/04/73/1373430473.db2.gz NVFNGOSRTDKNOR-UHFFFAOYSA-N 0 0 340.792 3.195 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001130064381 1373452099 /nfs/dbraw/zinc/45/20/99/1373452099.db2.gz UZZTWPOYNRENFQ-ORHYLEIMSA-N 0 0 347.371 3.368 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCC[C@H](F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130126026 1373459018 /nfs/dbraw/zinc/45/90/18/1373459018.db2.gz IUTALINAWHIQOY-RYUDHWBXSA-N 0 0 331.347 3.341 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC001130214861 1373475205 /nfs/dbraw/zinc/47/52/05/1373475205.db2.gz KGHBKIJJDSINFE-UHFFFAOYSA-N 0 0 336.269 3.477 10 5 EGBERN CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1ccsc1 ZINC001130660734 1373577461 /nfs/dbraw/zinc/57/74/61/1373577461.db2.gz MYVMTBBVJYRUQX-UHFFFAOYSA-N 0 0 342.380 3.178 10 5 EGBERN C[C@H]1C[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1=O ZINC001130761687 1373589374 /nfs/dbraw/zinc/58/93/74/1373589374.db2.gz XOPFHQZKOSATOM-WDEREUQCSA-N 0 0 327.340 3.087 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001130882735 1373602535 /nfs/dbraw/zinc/60/25/35/1373602535.db2.gz LHUKQOQXLBRWAX-UHFFFAOYSA-N 0 0 328.155 3.170 10 5 EGBERN CCn1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001130911675 1373606673 /nfs/dbraw/zinc/60/66/73/1373606673.db2.gz PNKQGWBKBHXUDX-UHFFFAOYSA-N 0 0 328.250 3.082 10 5 EGBERN C[C@H](COc1c(F)cccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001131013392 1373624936 /nfs/dbraw/zinc/62/49/36/1373624936.db2.gz UCPKJAACLSUVPB-SNVBAGLBSA-N 0 0 336.294 3.070 10 5 EGBERN O=C(/C=C/c1nccs1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251085 1373669246 /nfs/dbraw/zinc/66/92/46/1373669246.db2.gz TWDXFMQRHCVOOI-ONEGZZNKSA-N 0 0 326.337 3.251 10 5 EGBERN O=C(CC(F)(F)C(F)F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131462637 1373703534 /nfs/dbraw/zinc/70/35/34/1373703534.db2.gz QZUHSRSMMBNNGZ-UHFFFAOYSA-N 0 0 331.225 3.372 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1 ZINC001132267837 1375255389 /nfs/dbraw/zinc/25/53/89/1375255389.db2.gz OUNASNFSYKXSBF-QGZVFWFLSA-N 0 0 331.347 3.493 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)c(F)c(F)c1F ZINC001132497941 1375425546 /nfs/dbraw/zinc/42/55/46/1375425546.db2.gz PDXGDGQZNWWBOQ-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN COc1c(C(=O)N[C@@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001132555828 1375463046 /nfs/dbraw/zinc/46/30/46/1375463046.db2.gz SEPLATZKQTYUEW-ZDUSSCGKSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC001132637506 1375493278 /nfs/dbraw/zinc/49/32/78/1375493278.db2.gz QLWIWZJCTQNRJP-CQSZACIVSA-N 0 0 328.393 3.409 10 5 EGBERN Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001132693599 1375517186 /nfs/dbraw/zinc/51/71/86/1375517186.db2.gz OQOLNHQDACRUTI-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2ccccc2s1 ZINC001132747344 1375543395 /nfs/dbraw/zinc/54/33/95/1375543395.db2.gz LDGFAKSRJCNAJD-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC001132922556 1375645684 /nfs/dbraw/zinc/64/56/84/1375645684.db2.gz POWOZBHQTNBIHW-HNNXBMFYSA-N 0 0 336.363 3.264 10 5 EGBERN CNC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001132968051 1375682951 /nfs/dbraw/zinc/68/29/51/1375682951.db2.gz ZYYYHEOKPXPFOT-NSHDSACASA-N 0 0 343.339 3.264 10 5 EGBERN O=C(NCCc1ccns1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001133127274 1375791706 /nfs/dbraw/zinc/79/17/06/1375791706.db2.gz NMARCFYITJENJA-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001133307870 1375913430 /nfs/dbraw/zinc/91/34/30/1375913430.db2.gz KEWWFAXKJODOAV-JTQLQIEISA-N 0 0 347.302 3.442 10 5 EGBERN Cc1cc(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001133517667 1376051655 /nfs/dbraw/zinc/05/16/55/1376051655.db2.gz YHJYORFIYAWITR-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001133520196 1376053724 /nfs/dbraw/zinc/05/37/24/1376053724.db2.gz KPRHXIVIOGHIEM-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001133617507 1376123588 /nfs/dbraw/zinc/12/35/88/1376123588.db2.gz UBWNZVNTJDKPSH-UHFFFAOYSA-N 0 0 339.351 3.267 10 5 EGBERN Cc1cc(C(=O)NCc2nccc3c2CCCC3)cc([N+](=O)[O-])c1 ZINC001133682318 1376151191 /nfs/dbraw/zinc/15/11/91/1376151191.db2.gz TTXNKKCVDPAVIT-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN C[S@](=O)(=NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001133793508 1376207742 /nfs/dbraw/zinc/20/77/42/1376207742.db2.gz HVEXHFSDMGBJJJ-OAQYLSRUSA-N 0 0 328.346 3.093 10 5 EGBERN Cc1ccc(C(=O)N=[S@@]2(=O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC001134009271 1376310753 /nfs/dbraw/zinc/31/07/53/1376310753.db2.gz GOKYPSYWHCJIQR-HSZRJFAPSA-N 0 0 330.365 3.127 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cccnc21 ZINC001134468195 1376554277 /nfs/dbraw/zinc/55/42/77/1376554277.db2.gz YVKJWDSNCPYRSU-AWEZNQCLSA-N 0 0 329.331 3.245 10 5 EGBERN CCOc1nccc(C)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001134501953 1376570742 /nfs/dbraw/zinc/57/07/42/1376570742.db2.gz RKMUIXOSZCYLCK-ZDUSSCGKSA-N 0 0 343.383 3.230 10 5 EGBERN Cc1c(C(=O)N[C@@H]2CC=CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001134837548 1376748818 /nfs/dbraw/zinc/74/88/18/1376748818.db2.gz JRINEBCZZDDDOO-NOZJJQNGSA-N 0 0 333.344 3.204 10 5 EGBERN O=C(NC[C@@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001134976575 1376822789 /nfs/dbraw/zinc/82/27/89/1376822789.db2.gz VXKUAJGUECPUTC-KRWDZBQOSA-N 0 0 349.346 3.144 10 5 EGBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)F)n1 ZINC001135154366 1376940288 /nfs/dbraw/zinc/94/02/88/1376940288.db2.gz CYMKLDVPHZSNGA-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2ccccc2[nH]c1=O ZINC001135290704 1377023499 /nfs/dbraw/zinc/02/34/99/1377023499.db2.gz LKNMBZZYJJMDHT-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN COc1ccc(C(C)(C)C)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001135306531 1377028390 /nfs/dbraw/zinc/02/83/90/1377028390.db2.gz OJAQUGUFNTVXRI-UHFFFAOYSA-N 0 0 345.355 3.254 10 5 EGBERN COc1cccc2c1CC[C@@H]2OC(=O)COc1ccccc1[N+](=O)[O-] ZINC001135355114 1377050211 /nfs/dbraw/zinc/05/02/11/1377050211.db2.gz MEAWFUICFYBDJI-INIZCTEOSA-N 0 0 343.335 3.213 10 5 EGBERN CN(CCNC(=O)C12CCC(CC1)CC2)Cc1ccccc1[N+](=O)[O-] ZINC001266359679 1377294031 /nfs/dbraw/zinc/29/40/31/1377294031.db2.gz AMEBERICNKUCGL-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136150738 1377358350 /nfs/dbraw/zinc/35/83/50/1377358350.db2.gz DCXKNPPAGGAMIE-SNVBAGLBSA-N 0 0 340.339 3.151 10 5 EGBERN CSc1cccc(N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001136537103 1377403544 /nfs/dbraw/zinc/40/35/44/1377403544.db2.gz VXBVWGJJUNROTH-HNNXBMFYSA-N 0 0 332.381 3.013 10 5 EGBERN O=C([C@H](O)C1CCCCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001137107709 1377479932 /nfs/dbraw/zinc/47/99/32/1377479932.db2.gz ZFQUAPBNSWZUST-QGZVFWFLSA-N 0 0 332.400 3.158 10 5 EGBERN Cc1cc2n[nH]cc2cc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001138212124 1377690529 /nfs/dbraw/zinc/69/05/29/1377690529.db2.gz LWTCJLFLCQGLFX-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN Cc1ccc(-c2cccnc2)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001140004790 1377990046 /nfs/dbraw/zinc/99/00/46/1377990046.db2.gz IPWHFHXOWXCFLB-UHFFFAOYSA-N 0 0 349.350 3.195 10 5 EGBERN Cc1ccc(N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)c1 ZINC001275963134 1378165202 /nfs/dbraw/zinc/16/52/02/1378165202.db2.gz SZQWBBYESCNKBF-UHFFFAOYSA-N 0 0 346.314 3.090 10 5 EGBERN CC(C)c1coc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC001141140455 1378247604 /nfs/dbraw/zinc/24/76/04/1378247604.db2.gz KSLHAUAJSCPUTN-UHFFFAOYSA-N 0 0 342.311 3.212 10 5 EGBERN Cc1cc(C(=O)NCCc2ccc(Cl)c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC001141378576 1378314429 /nfs/dbraw/zinc/31/44/29/1378314429.db2.gz YDPKCDNAZBTTBT-UHFFFAOYSA-N 0 0 347.802 3.420 10 5 EGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@H]1C(F)(F)F ZINC001141679260 1378361205 /nfs/dbraw/zinc/36/12/05/1378361205.db2.gz NDTJGCMACWYZSD-OAHLLOKOSA-N 0 0 346.308 3.458 10 5 EGBERN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC001141858999 1378387527 /nfs/dbraw/zinc/38/75/27/1378387527.db2.gz RJRHSEHVZQIKAQ-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC001142048594 1378408381 /nfs/dbraw/zinc/40/83/81/1378408381.db2.gz SJNPUUOPZCMFQB-QHCPKHFHSA-N 0 0 333.369 3.191 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC001142868640 1378499336 /nfs/dbraw/zinc/49/93/36/1378499336.db2.gz CDRSFCBACFODSM-UHFFFAOYSA-N 0 0 330.315 3.162 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)c1ccc(C)cc1 ZINC001143106287 1378541182 /nfs/dbraw/zinc/54/11/82/1378541182.db2.gz JSXLPKOPILBQMP-UHFFFAOYSA-N 0 0 345.330 3.277 10 5 EGBERN CSCc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001144413241 1378727801 /nfs/dbraw/zinc/72/78/01/1378727801.db2.gz CUPNLTWXKFJSFD-OAHLLOKOSA-N 0 0 332.381 3.130 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(SC3CCOCC3)c2c1 ZINC001327687312 1388582935 /nfs/dbraw/zinc/58/29/35/1388582935.db2.gz GZQRDTBMECXBPW-UHFFFAOYSA-N 0 0 325.777 3.463 10 5 EGBERN CC[C@@H](C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001147249610 1378996796 /nfs/dbraw/zinc/99/67/96/1378996796.db2.gz ABLDFBZIUZDAMF-NEPJUHHUSA-N 0 0 331.372 3.073 10 5 EGBERN Cc1cnc(F)cc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001150287188 1379528686 /nfs/dbraw/zinc/52/86/86/1379528686.db2.gz YYJPUMSDEWXMIF-UHFFFAOYSA-N 0 0 341.701 3.160 10 5 EGBERN Cc1cc(C=O)c(O)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001150827127 1379619448 /nfs/dbraw/zinc/61/94/48/1379619448.db2.gz HFGMNDAJBZLEKK-UHFFFAOYSA-N 0 0 348.742 3.005 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc2cnccc2o1 ZINC001152677718 1379968710 /nfs/dbraw/zinc/96/87/10/1379968710.db2.gz CPFMCSHYIXLVCS-UHFFFAOYSA-N 0 0 345.742 3.248 10 5 EGBERN CN1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001153609985 1380102573 /nfs/dbraw/zinc/10/25/73/1380102573.db2.gz SQTLXJUGLRLJQR-AWEZNQCLSA-N 0 0 345.786 3.165 10 5 EGBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001154109886 1380211395 /nfs/dbraw/zinc/21/13/95/1380211395.db2.gz XRJLLVUKKZQYNT-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN CNc1ccc(C(=O)NCc2cscc2Cl)cc1[N+](=O)[O-] ZINC001155556486 1380468024 /nfs/dbraw/zinc/46/80/24/1380468024.db2.gz WLTTYILJMPGJNX-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2N)c(N)c1[N+](=O)[O-] ZINC001158232235 1381168056 /nfs/dbraw/zinc/16/80/56/1381168056.db2.gz UXOOPOGCPLDBIK-UHFFFAOYSA-N 0 0 338.726 3.112 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231520 1381168639 /nfs/dbraw/zinc/16/86/39/1381168639.db2.gz HXWQMTHUVLAFHK-PXAZEXFGSA-N 0 0 329.331 3.309 10 5 EGBERN CC(=O)N1CC[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001287672349 1381329625 /nfs/dbraw/zinc/32/96/25/1381329625.db2.gz ZUZXBURQJDTMEJ-QGZVFWFLSA-N 0 0 340.335 3.250 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(F)c1 ZINC001287796215 1381377559 /nfs/dbraw/zinc/37/75/59/1381377559.db2.gz HYAXOBZMDKZJJR-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN Cc1cccc(C(=O)Nc2cccc3c2OCCCO3)c1[N+](=O)[O-] ZINC001288164594 1381611943 /nfs/dbraw/zinc/61/19/43/1381611943.db2.gz BTEYAEFJEPXQPF-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc2[nH]ccc21 ZINC001288190506 1381674913 /nfs/dbraw/zinc/67/49/13/1381674913.db2.gz YFPBBXLLFRKSNV-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2noc3cc(F)ccc23)c1C ZINC001288195902 1381703970 /nfs/dbraw/zinc/70/39/70/1381703970.db2.gz LQJJUZGOKYVCDP-UHFFFAOYSA-N 0 0 343.314 3.422 10 5 EGBERN Cc1occc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288346115 1381788473 /nfs/dbraw/zinc/78/84/73/1381788473.db2.gz LMYLQHHLBKLYFE-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288749059 1381924016 /nfs/dbraw/zinc/92/40/16/1381924016.db2.gz RHHOGKJVZUQKKR-VXGBXAGGSA-N 0 0 332.331 3.379 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2cc(O)ccc2C1 ZINC001159937489 1381942376 /nfs/dbraw/zinc/94/23/76/1381942376.db2.gz HIDSNYPNWIESPH-UHFFFAOYSA-N 0 0 332.743 3.152 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N=[S@]1(=O)CCc2ccccc21 ZINC001289029927 1381974282 /nfs/dbraw/zinc/97/42/82/1381974282.db2.gz QMDLBJCPMWMJGJ-DEOSSOPVSA-N 0 0 344.392 3.435 10 5 EGBERN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001289389418 1381997388 /nfs/dbraw/zinc/99/73/88/1381997388.db2.gz ZOLDIDHMWLUVSD-LBPRGKRZSA-N 0 0 327.336 3.377 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001289633840 1382005825 /nfs/dbraw/zinc/00/58/25/1382005825.db2.gz PXQRSPPBBRCJCH-OAHLLOKOSA-N 0 0 348.761 3.213 10 5 EGBERN CCOc1ccc(C(=O)NCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC001160139851 1382012122 /nfs/dbraw/zinc/01/21/22/1382012122.db2.gz OFHMDLUNGMGQJL-UHFFFAOYSA-N 0 0 341.323 3.065 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC001328483152 1388760344 /nfs/dbraw/zinc/76/03/44/1388760344.db2.gz UBYSCZWBUXQJHI-MEBBXXQBSA-N 0 0 342.342 3.054 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC001290429902 1382090959 /nfs/dbraw/zinc/09/09/59/1382090959.db2.gz KLQSUTNZRGPZAL-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN O=C(c1ncc(Cc2ccccc2)o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290586445 1382098053 /nfs/dbraw/zinc/09/80/53/1382098053.db2.gz XDKXXKMXTIFFAM-UHFFFAOYSA-N 0 0 349.346 3.377 10 5 EGBERN C[C@H]1CCC[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001293604824 1382313046 /nfs/dbraw/zinc/31/30/46/1382313046.db2.gz NHEGYQFXOFPKII-UWVGGRQHSA-N 0 0 325.796 3.481 10 5 EGBERN CCC[C@H](CCc1ccccc1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293920786 1382393206 /nfs/dbraw/zinc/39/32/06/1382393206.db2.gz SXNNXAJQNDCEFJ-OAHLLOKOSA-N 0 0 342.399 3.103 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001161694074 1382482602 /nfs/dbraw/zinc/48/26/02/1382482602.db2.gz OBKLIFMKSQSUNU-JTQLQIEISA-N 0 0 346.314 3.263 10 5 EGBERN COc1cccc(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])c1 ZINC001161956784 1382570980 /nfs/dbraw/zinc/57/09/80/1382570980.db2.gz ALFZTCMEUBVLNR-UHFFFAOYSA-N 0 0 339.351 3.194 10 5 EGBERN NC(=O)c1cc(N[C@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC001162020931 1382604135 /nfs/dbraw/zinc/60/41/35/1382604135.db2.gz RJVFPSLODOROEO-ZDUSSCGKSA-N 0 0 347.371 3.482 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCOc3ccc4c(c3)CCC4)nc2c1 ZINC001162220851 1382659402 /nfs/dbraw/zinc/65/94/02/1382659402.db2.gz IJGFAMMYHXBNFX-UHFFFAOYSA-N 0 0 338.367 3.451 10 5 EGBERN O=C(N[C@H]1COCc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001162229658 1382661935 /nfs/dbraw/zinc/66/19/35/1382661935.db2.gz UGVZQALDGGGJMG-KRWDZBQOSA-N 0 0 337.335 3.077 10 5 EGBERN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328676274 1388804380 /nfs/dbraw/zinc/80/43/80/1388804380.db2.gz BTOQUZRQGOENLS-WMZOPIPTSA-N 0 0 326.327 3.322 10 5 EGBERN COC(=O)N1CCC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001162390618 1382746155 /nfs/dbraw/zinc/74/61/55/1382746155.db2.gz WNBOXFVALLGMFQ-VIFPVBQESA-N 0 0 347.293 3.256 10 5 EGBERN Cc1nc(Oc2ccc(Br)c(F)c2)ncc1[N+](=O)[O-] ZINC001162471236 1382767210 /nfs/dbraw/zinc/76/72/10/1382767210.db2.gz MCTQJBUUKJEYBG-UHFFFAOYSA-N 0 0 328.097 3.387 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328691714 1388810495 /nfs/dbraw/zinc/81/04/95/1388810495.db2.gz UQEGXSACPXRQAN-PRJMDXOYSA-N 0 0 332.253 3.493 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(N2CCc3cccc(F)c32)c2ccccc21 ZINC001162770266 1382867218 /nfs/dbraw/zinc/86/72/18/1382867218.db2.gz QZBQWVJDYIHOAZ-UHFFFAOYSA-N 0 0 339.326 3.280 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2ccnc(-c3nccs3)n2)c1 ZINC001162811646 1382881698 /nfs/dbraw/zinc/88/16/98/1382881698.db2.gz BRJZBQMEFCSHDX-UHFFFAOYSA-N 0 0 347.787 3.196 10 5 EGBERN CCc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)CCO2 ZINC001163012491 1382947649 /nfs/dbraw/zinc/94/76/49/1382947649.db2.gz DNRKKXFKGPDMDM-HNNXBMFYSA-N 0 0 341.367 3.192 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC001163197170 1382990259 /nfs/dbraw/zinc/99/02/59/1382990259.db2.gz BKTIKDWKAUQOFM-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCc2nc[nH]c2C1 ZINC001163437076 1383051522 /nfs/dbraw/zinc/05/15/22/1383051522.db2.gz JMBCVXBXDGFRQU-UHFFFAOYSA-N 0 0 348.362 3.112 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC(Cc3cc(F)ccc3F)CC2)n1 ZINC001163488942 1383063369 /nfs/dbraw/zinc/06/33/69/1383063369.db2.gz NPMAJKLQAPJJLZ-UHFFFAOYSA-N 0 0 336.342 3.066 10 5 EGBERN Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001296932597 1383097405 /nfs/dbraw/zinc/09/74/05/1383097405.db2.gz OITSXCGEKSRRLN-KRWDZBQOSA-N 0 0 346.358 3.123 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc3cc(C)ccc3o2)n1 ZINC001163733127 1383116223 /nfs/dbraw/zinc/11/62/23/1383116223.db2.gz AURFYBICFTWOBJ-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN CN1c2ccccc2CN(c2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC001163743387 1383117017 /nfs/dbraw/zinc/11/70/17/1383117017.db2.gz CMQMYCTZWOMSRS-UHFFFAOYSA-N 0 0 348.362 3.126 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001297132922 1383120790 /nfs/dbraw/zinc/12/07/90/1383120790.db2.gz DMSNNVFDLSKYHL-WCQYABFASA-N 0 0 349.749 3.255 10 5 EGBERN CCOC(=O)[C@]1(C)CCC[C@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001163802676 1383123752 /nfs/dbraw/zinc/12/37/52/1383123752.db2.gz XZBILNCLEYECJA-CRAIPNDOSA-N 0 0 343.383 3.099 10 5 EGBERN Cc1cc(SCCOc2ccc([N+](=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC001163808148 1383124310 /nfs/dbraw/zinc/12/43/10/1383124310.db2.gz NMOVOSOBHXEOGE-UHFFFAOYSA-N 0 0 335.341 3.378 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001163857174 1383130071 /nfs/dbraw/zinc/13/00/71/1383130071.db2.gz ATEOINYFSOTNCN-UHFFFAOYSA-N 0 0 337.742 3.257 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCCC(C)(C)NC(=O)OC(C)(C)C ZINC001164020950 1383147607 /nfs/dbraw/zinc/14/76/07/1383147607.db2.gz FRMWTDYHNNMAOO-UHFFFAOYSA-N 0 0 338.408 3.404 10 5 EGBERN C[C@@H]1C[C@@]2(CC[C@H](CNc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC001164165387 1383161980 /nfs/dbraw/zinc/16/19/80/1383161980.db2.gz ZRGXOTMXKMKLRD-HCKVZZMMSA-N 0 0 326.780 3.387 10 5 EGBERN Cc1cc(NCCO[C@@H]2CCOC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164200572 1383165396 /nfs/dbraw/zinc/16/53/96/1383165396.db2.gz DCRJOCXMWWSEGK-SNVBAGLBSA-N 0 0 334.294 3.139 10 5 EGBERN CCc1noc([C@H]2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001164282413 1383174104 /nfs/dbraw/zinc/17/41/04/1383174104.db2.gz JEPYKSFBOUEGOP-WCBMZHEXSA-N 0 0 337.767 3.337 10 5 EGBERN CCc1noc([C@@H]2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164284340 1383174422 /nfs/dbraw/zinc/17/44/22/1383174422.db2.gz YVYROKLQYXPOPL-ZJUUUORDSA-N 0 0 347.331 3.197 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc3nonc3c2)cc1OC(F)F ZINC001164317979 1383177157 /nfs/dbraw/zinc/17/71/57/1383177157.db2.gz JTFOLIMEPLSCOE-UHFFFAOYSA-N 0 0 336.254 3.345 10 5 EGBERN CN1C(=O)Cc2cc(CNc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC001164359545 1383180970 /nfs/dbraw/zinc/18/09/70/1383180970.db2.gz VZXVXVXQZYADOC-UHFFFAOYSA-N 0 0 331.759 3.379 10 5 EGBERN Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]2C ZINC001164401377 1383184487 /nfs/dbraw/zinc/18/44/87/1383184487.db2.gz XWCLSYNYIRWWFJ-QMMMGPOBSA-N 0 0 341.293 3.095 10 5 EGBERN Cc1noc(COc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC001164556785 1383199004 /nfs/dbraw/zinc/19/90/04/1383199004.db2.gz GOCMLWOBPVEOHU-UHFFFAOYSA-N 0 0 331.097 3.372 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CS(=O)(=O)c1ccc(Cl)s1 ZINC001165909792 1383363516 /nfs/dbraw/zinc/36/35/16/1383363516.db2.gz ONRPKXGANNADMG-UHFFFAOYSA-N 0 0 335.765 3.423 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)c1ccccc1 ZINC001298374170 1383398466 /nfs/dbraw/zinc/39/84/66/1383398466.db2.gz QRGHKASCBLTLFF-HNNXBMFYSA-N 0 0 334.759 3.054 10 5 EGBERN CO[C@@H](Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(F)cc1 ZINC001166241021 1383406284 /nfs/dbraw/zinc/40/62/84/1383406284.db2.gz ZXJSCIRUJHVVPD-KRWDZBQOSA-N 0 0 342.326 3.437 10 5 EGBERN CCSc1cccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001298860244 1383441639 /nfs/dbraw/zinc/44/16/39/1383441639.db2.gz NPBFXIGQOMYDNM-MRXNPFEDSA-N 0 0 346.408 3.057 10 5 EGBERN CC(=O)c1cccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001299933206 1383635452 /nfs/dbraw/zinc/63/54/52/1383635452.db2.gz MFUYQFOPVLOTSM-UHFFFAOYSA-N 0 0 334.278 3.006 10 5 EGBERN O=C(NCc1cc(O)ccc1Cl)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001303104867 1383782911 /nfs/dbraw/zinc/78/29/11/1383782911.db2.gz XRDWTGZZNSJYEA-UHFFFAOYSA-N 0 0 345.742 3.365 10 5 EGBERN O=C(Nc1c[nH]c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001304094303 1383829938 /nfs/dbraw/zinc/82/99/38/1383829938.db2.gz AGURAOCGRAHHQJ-UHFFFAOYSA-N 0 0 339.307 3.100 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)F)o1 ZINC001306510019 1383894618 /nfs/dbraw/zinc/89/46/18/1383894618.db2.gz SVAKFRPOTOYZOA-UHFFFAOYSA-N 0 0 349.253 3.163 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H](CO)Cc2ccco2)cccc1C(F)(F)F ZINC001306925858 1383921711 /nfs/dbraw/zinc/92/17/11/1383921711.db2.gz WOSUHJNBZJXLBV-SNVBAGLBSA-N 0 0 344.289 3.470 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCSC[C@H](C)C2)cc1C ZINC001307111966 1383941575 /nfs/dbraw/zinc/94/15/75/1383941575.db2.gz RWYFACGNJAVGDC-LLVKDONJSA-N 0 0 338.429 3.269 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307137644 1383943889 /nfs/dbraw/zinc/94/38/89/1383943889.db2.gz DGTFUMFBWUVODS-VHSXEESVSA-N 0 0 346.717 3.126 10 5 EGBERN Cc1cc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc(Cl)n1 ZINC001307147569 1383945305 /nfs/dbraw/zinc/94/53/05/1383945305.db2.gz CSZOXZQVSIWRRT-UHFFFAOYSA-N 0 0 325.727 3.195 10 5 EGBERN Cc1cc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001307174359 1383950336 /nfs/dbraw/zinc/95/03/36/1383950336.db2.gz IKNRFNDSJKQIKP-HOCLYGCPSA-N 0 0 336.775 3.063 10 5 EGBERN CC[C@]1(C(=O)OC(C)(C)C)CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC001307223478 1383960373 /nfs/dbraw/zinc/96/03/73/1383960373.db2.gz PWAGJNNGXHBFPJ-HNNXBMFYSA-N 0 0 341.433 3.390 10 5 EGBERN COC(=O)c1ccc(OCCSC(F)(F)F)cc1[N+](=O)[O-] ZINC001307327711 1383971664 /nfs/dbraw/zinc/97/16/64/1383971664.db2.gz JPKKYTOOBFXFHB-UHFFFAOYSA-N 0 0 325.264 3.013 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(Cc3ccccc3)no2)c(F)c1F ZINC001307345969 1383974464 /nfs/dbraw/zinc/97/44/64/1383974464.db2.gz UCPBBOICPMSAAX-UHFFFAOYSA-N 0 0 347.277 3.426 10 5 EGBERN CCC(C)(C)c1ccc(Cn2cc([N+](=O)[O-])c(C(=O)OC)n2)cc1 ZINC001307388124 1383981402 /nfs/dbraw/zinc/98/14/02/1383981402.db2.gz XSQIHJJRCBTIGZ-UHFFFAOYSA-N 0 0 331.372 3.314 10 5 EGBERN O=c1c2cccc(C(F)(F)F)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC001307391816 1383982237 /nfs/dbraw/zinc/98/22/37/1383982237.db2.gz ACXIFTLIOVYKBQ-UHFFFAOYSA-N 0 0 349.268 3.372 10 5 EGBERN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457167 1383994662 /nfs/dbraw/zinc/99/46/62/1383994662.db2.gz CCVOUGVUYPYPKL-PHIMTYICSA-N 0 0 325.796 3.450 10 5 EGBERN Cc1noc(C)c1[C@@H](C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307634733 1384005928 /nfs/dbraw/zinc/00/59/28/1384005928.db2.gz FKAGPUUPNBFREV-SECBINFHSA-N 0 0 343.343 3.100 10 5 EGBERN CCOc1cc(CN2CCO[C@@](C)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC001308019178 1384075079 /nfs/dbraw/zinc/07/50/79/1384075079.db2.gz YHMINVVRDALBDR-CQSZACIVSA-N 0 0 348.321 3.147 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)N2Cc3ccccc3CO2)cccc1[N+](=O)[O-] ZINC001308018495 1384075752 /nfs/dbraw/zinc/07/57/52/1384075752.db2.gz DRMVNXNPOBZQQM-CYBMUJFWSA-N 0 0 341.367 3.178 10 5 EGBERN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001328933142 1388905248 /nfs/dbraw/zinc/90/52/48/1388905248.db2.gz XEZPPKDHYZBPAI-KDOFPFPSSA-N 0 0 342.395 3.371 10 5 EGBERN CC(C)(C)C1CC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001312778535 1384370839 /nfs/dbraw/zinc/37/08/39/1384370839.db2.gz PQJJMKBDOCVYNM-UHFFFAOYSA-N 0 0 334.420 3.131 10 5 EGBERN C[C@H](NC(=O)NCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001313092457 1384395043 /nfs/dbraw/zinc/39/50/43/1384395043.db2.gz BNBZBVBIPKDHDN-JTQLQIEISA-N 0 0 335.310 3.433 10 5 EGBERN C[C@@H](NC(=O)NCC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001313282582 1384407095 /nfs/dbraw/zinc/40/70/95/1384407095.db2.gz YHBHBWOKWDBROF-CYBMUJFWSA-N 0 0 349.431 3.286 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001171057977 1384438802 /nfs/dbraw/zinc/43/88/02/1384438802.db2.gz MSVFBULOHRPATJ-UHFFFAOYSA-N 0 0 341.323 3.221 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC001171305966 1384490699 /nfs/dbraw/zinc/49/06/99/1384490699.db2.gz KYLMMFGNQOIKNJ-KRWDZBQOSA-N 0 0 338.379 3.185 10 5 EGBERN Cc1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1[N+](=O)[O-] ZINC001171891324 1384672477 /nfs/dbraw/zinc/67/24/77/1384672477.db2.gz QPVMQHWFQJLQCD-ZDUSSCGKSA-N 0 0 338.367 3.130 10 5 EGBERN O=[N+]([O-])c1ccn(CCN2c3ccccc3C[C@@H]2Cc2ccccc2)n1 ZINC001175250167 1385230144 /nfs/dbraw/zinc/23/01/44/1385230144.db2.gz OFZKZIAAGZKZDD-SFHVURJKSA-N 0 0 348.406 3.465 10 5 EGBERN O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1ccc([N+](=O)[O-])s1 ZINC001175447685 1385292938 /nfs/dbraw/zinc/29/29/38/1385292938.db2.gz VSLBMFZJYDHJFW-UHFFFAOYSA-N 0 0 344.352 3.299 10 5 EGBERN CON(Cc1ccc(C)o1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001176311996 1385547824 /nfs/dbraw/zinc/54/78/24/1385547824.db2.gz QGUAWXKCUXESDG-ZDUSSCGKSA-N 0 0 347.371 3.195 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1C ZINC001176406794 1385578200 /nfs/dbraw/zinc/57/82/00/1385578200.db2.gz DWAPEVIRGVSNOW-UHFFFAOYSA-N 0 0 345.330 3.388 10 5 EGBERN C=C/C=C\CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001176456520 1385593631 /nfs/dbraw/zinc/59/36/31/1385593631.db2.gz BUQQGTIGHZMXMK-PLNGDYQASA-N 0 0 337.763 3.069 10 5 EGBERN CC(C)(CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001177681306 1386021673 /nfs/dbraw/zinc/02/16/73/1386021673.db2.gz NKXZPSCDFURLNJ-UHFFFAOYSA-N 0 0 344.415 3.346 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@]12C[C@@H]1CCCC2 ZINC001177681526 1386021794 /nfs/dbraw/zinc/02/17/94/1386021794.db2.gz RKGKBGJOTHWWJU-SGTLLEGYSA-N 0 0 342.399 3.100 10 5 EGBERN CC(C)CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001319639772 1386225678 /nfs/dbraw/zinc/22/56/78/1386225678.db2.gz ZCIALPGFILMNPO-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1COCC[C@H]1c1ccccc1 ZINC001179188126 1386421151 /nfs/dbraw/zinc/42/11/51/1386421151.db2.gz QISLTSKYUOKONJ-INIZCTEOSA-N 0 0 330.315 3.295 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)nc(C)c1 ZINC001320372403 1386591058 /nfs/dbraw/zinc/59/10/58/1386591058.db2.gz LQOHHVCBDPLLJK-HNNXBMFYSA-N 0 0 327.384 3.236 10 5 EGBERN O=C(Nc1ccnn1C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001180481340 1386811013 /nfs/dbraw/zinc/81/10/13/1386811013.db2.gz YYPLTUBCAZQAKU-UHFFFAOYSA-N 0 0 349.350 3.441 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc2[nH]ccc21 ZINC001321384251 1386890769 /nfs/dbraw/zinc/89/07/69/1386890769.db2.gz YHUWSEBAKDWZBF-UHFFFAOYSA-N 0 0 338.367 3.090 10 5 EGBERN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001329620345 1389187466 /nfs/dbraw/zinc/18/74/66/1389187466.db2.gz UXKBNVJKEXLTHL-OAHLLOKOSA-N 0 0 345.443 3.451 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC001330035147 1389289782 /nfs/dbraw/zinc/28/97/82/1389289782.db2.gz LZOGTKAGINHLAL-MRXNPFEDSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330570949 1389458778 /nfs/dbraw/zinc/45/87/78/1389458778.db2.gz IJPITRYBGCWYKI-KSSFIOAISA-N 0 0 342.395 3.026 10 5 EGBERN COc1ccc(C2CC2)cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001331512166 1389777751 /nfs/dbraw/zinc/77/77/51/1389777751.db2.gz LQERMVGTCWHGIB-UHFFFAOYSA-N 0 0 340.379 3.340 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC001331523533 1389782786 /nfs/dbraw/zinc/78/27/86/1389782786.db2.gz JLDNJEGHVIJYEG-KRWDZBQOSA-N 0 0 328.368 3.245 10 5 EGBERN CC1(C)CO[C@@H](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334743947 1390578581 /nfs/dbraw/zinc/57/85/81/1390578581.db2.gz BAAFAJVNITVDQJ-ZDUSSCGKSA-N 0 0 340.807 3.112 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@]12CCC[C@H]1OCC2 ZINC001344315243 1390781280 /nfs/dbraw/zinc/78/12/80/1390781280.db2.gz NGDQFCHLPRLVSS-SJLPKXTDSA-N 0 0 344.367 3.121 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001344839009 1390818409 /nfs/dbraw/zinc/81/84/09/1390818409.db2.gz LKVWGOZRISFMQG-MUQADHOPSA-N 0 0 331.368 3.201 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCOC2(CCC2)C1 ZINC001344982609 1390828900 /nfs/dbraw/zinc/82/89/00/1390828900.db2.gz FIFRAIWFBPFEQX-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@H](F)C1 ZINC001345656452 1390872933 /nfs/dbraw/zinc/87/29/33/1390872933.db2.gz QEEIOMPSRCIMNA-MFKMUULPSA-N 0 0 339.319 3.033 10 5 EGBERN COc1ccc(NC(=O)NC[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC001345746547 1390882578 /nfs/dbraw/zinc/88/25/78/1390882578.db2.gz UJXDUYBPGKNNQE-CYBMUJFWSA-N 0 0 349.387 3.217 10 5 EGBERN COc1cc(CN(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)sn1 ZINC001345953181 1390896851 /nfs/dbraw/zinc/89/68/51/1390896851.db2.gz HWXIVKGLBAWGMG-UHFFFAOYSA-N 0 0 336.373 3.032 10 5 EGBERN Cc1cc(NC(=O)N2CCC=C(Br)C2)cc([N+](=O)[O-])c1 ZINC001345953175 1390896981 /nfs/dbraw/zinc/89/69/81/1390896981.db2.gz HTERSNAFAKBSDR-UHFFFAOYSA-N 0 0 340.177 3.420 10 5 EGBERN Cc1cc(NC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc([N+](=O)[O-])c1 ZINC001345952606 1390896990 /nfs/dbraw/zinc/89/69/90/1390896990.db2.gz DJKVOHNNFOIAME-NVXWUHKLSA-N 0 0 333.388 3.326 10 5 EGBERN C[C@H](c1nnc(N2CCC(C3CCC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001346080195 1390905938 /nfs/dbraw/zinc/90/59/38/1390905938.db2.gz WRGWIHXISGKJTJ-GFCCVEGCSA-N 0 0 333.436 3.042 10 5 EGBERN C[C@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001346199751 1390914702 /nfs/dbraw/zinc/91/47/02/1390914702.db2.gz DFPHYLXUSCUTFJ-KSSFIOAISA-N 0 0 342.395 3.328 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001346500792 1390947057 /nfs/dbraw/zinc/94/70/57/1390947057.db2.gz NVLPONPCDXZWDM-DZGCQCFKSA-N 0 0 337.351 3.299 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001346788439 1390979005 /nfs/dbraw/zinc/97/90/05/1390979005.db2.gz XOMHMSZMAQWUCG-HONMWMINSA-N 0 0 343.339 3.124 10 5 EGBERN C[C@@]1(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCCOC1 ZINC001346944852 1390988331 /nfs/dbraw/zinc/98/83/31/1390988331.db2.gz DOVDUJISXKTTTI-MRXNPFEDSA-N 0 0 325.336 3.026 10 5 EGBERN CC(C)(C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)F ZINC001347048305 1390996057 /nfs/dbraw/zinc/99/60/57/1390996057.db2.gz QYORRNGABGELPR-UHFFFAOYSA-N 0 0 326.221 3.078 10 5 EGBERN O=C(N1CC[C@@H]1[C@@H]1CCCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001347630748 1391102964 /nfs/dbraw/zinc/10/29/64/1391102964.db2.gz PDYWONQOEWGOHR-RHSMWYFYSA-N 0 0 344.411 3.044 10 5 EGBERN C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001347867770 1391138071 /nfs/dbraw/zinc/13/80/71/1391138071.db2.gz RVIWPYKGFGZRDR-VXGBXAGGSA-N 0 0 329.356 3.125 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001347890734 1391142083 /nfs/dbraw/zinc/14/20/83/1391142083.db2.gz PPABYOCFCLLTHF-HOTGVXAUSA-N 0 0 333.388 3.469 10 5 EGBERN CC1(C)C[C@H](COC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001347982771 1391154551 /nfs/dbraw/zinc/15/45/51/1391154551.db2.gz SFILOIPURRPNEX-CYBMUJFWSA-N 0 0 349.383 3.306 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001348254005 1391192926 /nfs/dbraw/zinc/19/29/26/1391192926.db2.gz ITFIUFWSJXFITO-GDBMZVCRSA-N 0 0 343.383 3.250 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001348279375 1391198484 /nfs/dbraw/zinc/19/84/84/1391198484.db2.gz KBKACALXMYIPKN-NUJGCVRESA-N 0 0 346.427 3.191 10 5 EGBERN O=C(Oc1cccc(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001348392576 1391213284 /nfs/dbraw/zinc/21/32/84/1391213284.db2.gz DIVJRWCMDFHHQK-UHFFFAOYSA-N 0 0 345.261 3.278 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)Nc1cc([N+](=O)[O-])ccc1F)CO2 ZINC001348440388 1391219697 /nfs/dbraw/zinc/21/96/97/1391219697.db2.gz YHNOIXUYQDCFDT-UHFFFAOYSA-N 0 0 328.299 3.457 10 5 EGBERN O=C(Nc1cccc(F)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001349002626 1391295324 /nfs/dbraw/zinc/29/53/24/1391295324.db2.gz NOKFCYPTNKKQSD-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1ccnn1C(F)F ZINC001349501449 1391336169 /nfs/dbraw/zinc/33/61/69/1391336169.db2.gz LHYUUTLSJGCWGS-UHFFFAOYSA-N 0 0 343.261 3.002 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C(F)(F)F)n1 ZINC001349905110 1391383622 /nfs/dbraw/zinc/38/36/22/1391383622.db2.gz XGWVMOIXGAIFTH-UHFFFAOYSA-N 0 0 339.273 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2cccc(F)c2)C(C)C)n1 ZINC001349982522 1391394630 /nfs/dbraw/zinc/39/46/30/1391394630.db2.gz MYHITEOJYNFNSW-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN O=C(OCc1cc(C2CC2)no1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001350036247 1391400785 /nfs/dbraw/zinc/40/07/85/1391400785.db2.gz CJGJVMLVYJAZOP-UHFFFAOYSA-N 0 0 327.296 3.299 10 5 EGBERN Cc1cc(C)c(OC(=O)Cc2c[nH]c3cnccc23)c([N+](=O)[O-])c1 ZINC001350589234 1391484984 /nfs/dbraw/zinc/48/49/84/1391484984.db2.gz RTHMLQRRZRQGJC-UHFFFAOYSA-N 0 0 325.324 3.236 10 5 EGBERN CC(C)(NC(=O)NC[C@@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001350988096 1391574492 /nfs/dbraw/zinc/57/44/92/1391574492.db2.gz PXXQLOJOYJIBGU-QGZVFWFLSA-N 0 0 335.404 3.088 10 5 EGBERN CNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001351026754 1391584168 /nfs/dbraw/zinc/58/41/68/1391584168.db2.gz BCWIJLOSBYZDTE-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 ZINC001351086507 1391594300 /nfs/dbraw/zinc/59/43/00/1391594300.db2.gz AQXMDYMDAAXHGP-UHFFFAOYSA-N 0 0 342.351 3.318 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001351335786 1391628378 /nfs/dbraw/zinc/62/83/78/1391628378.db2.gz GZUJGAOZFQWHQW-GJZGRUSLSA-N 0 0 327.296 3.245 10 5 EGBERN O=C(Cc1cccc2cnccc21)Nc1ccc([N+](=O)[O-])cc1F ZINC001351359772 1391631300 /nfs/dbraw/zinc/63/13/00/1391631300.db2.gz UZCDOVKKJNCPCS-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC001351364819 1391632084 /nfs/dbraw/zinc/63/20/84/1391632084.db2.gz QSFATPVVDMYJEX-NOZJJQNGSA-N 0 0 334.763 3.171 10 5 EGBERN Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001351378630 1391634010 /nfs/dbraw/zinc/63/40/10/1391634010.db2.gz ATAISTVVVSOPLI-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001351380201 1391634039 /nfs/dbraw/zinc/63/40/39/1391634039.db2.gz SPFUWJKMPDIUDN-UHFFFAOYSA-N 0 0 333.275 3.132 10 5 EGBERN COc1cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)ccc1C ZINC001351439726 1391639740 /nfs/dbraw/zinc/63/97/40/1391639740.db2.gz QGUOBFZYTKETTP-UHFFFAOYSA-N 0 0 328.368 3.459 10 5 EGBERN Cc1cc(C(=O)N=c2sc3ccccc3n2C)cc([N+](=O)[O-])c1 ZINC001352152987 1391765796 /nfs/dbraw/zinc/76/57/96/1391765796.db2.gz LKZQOEGCVHPFIT-UHFFFAOYSA-N 0 0 327.365 3.198 10 5 EGBERN COC(=O)c1coc(/C=C/C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001352598122 1391819842 /nfs/dbraw/zinc/81/98/42/1391819842.db2.gz GDMLMDJWLKYFEY-FNORWQNLSA-N 0 0 344.323 3.243 10 5 EGBERN Cc1c(NC(=O)c2ccnc(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC001352647498 1391828444 /nfs/dbraw/zinc/82/84/44/1391828444.db2.gz MALICYJYQYBJPP-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001353161375 1391947532 /nfs/dbraw/zinc/94/75/32/1391947532.db2.gz GRWJJJSCXFITQL-UHFFFAOYSA-N 0 0 345.286 3.153 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001353253891 1391975114 /nfs/dbraw/zinc/97/51/14/1391975114.db2.gz BDJJHPWQHYNHAB-DVBBHNHCSA-N 0 0 345.307 3.292 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001353401694 1392004316 /nfs/dbraw/zinc/00/43/16/1392004316.db2.gz JWSIEHOXXFIHHE-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN O=C(Cc1nsc2ccccc12)NCc1cccc([N+](=O)[O-])c1 ZINC001353680840 1392066708 /nfs/dbraw/zinc/06/67/08/1392066708.db2.gz BGYXYPYBWFMHID-UHFFFAOYSA-N 0 0 327.365 3.063 10 5 EGBERN COc1cccc(C(F)(F)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001353681474 1392066843 /nfs/dbraw/zinc/06/68/43/1392066843.db2.gz JXCUXJDPJRAQGN-UHFFFAOYSA-N 0 0 336.294 3.012 10 5 EGBERN O=C(Cn1ccc2ccc(F)cc21)NCc1ccccc1[N+](=O)[O-] ZINC001354113280 1392121060 /nfs/dbraw/zinc/12/10/60/1392121060.db2.gz CLZXUJAOXYWWDE-UHFFFAOYSA-N 0 0 327.315 3.005 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354287567 1392136401 /nfs/dbraw/zinc/13/64/01/1392136401.db2.gz OEXFLAIUMLIVEN-UONOGXRCSA-N 0 0 332.306 3.293 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001355002705 1392184607 /nfs/dbraw/zinc/18/46/07/1392184607.db2.gz BHQJXEKGKWQXIK-CYBMUJFWSA-N 0 0 344.342 3.486 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC001355016296 1392185971 /nfs/dbraw/zinc/18/59/71/1392185971.db2.gz RMDWBZZQADKLFD-KRWDZBQOSA-N 0 0 334.372 3.291 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001355067647 1392190799 /nfs/dbraw/zinc/19/07/99/1392190799.db2.gz YGXNACRTLCDXBF-GFCCVEGCSA-N 0 0 330.315 3.232 10 5 EGBERN CC(C)Oc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001355115660 1392194569 /nfs/dbraw/zinc/19/45/69/1392194569.db2.gz OFCAVDIINPMHJA-UHFFFAOYSA-N 0 0 332.331 3.451 10 5 EGBERN C[C@@H](NC(=O)N[C@H](c1ccccc1)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC001687575025 1396412613 /nfs/dbraw/zinc/41/26/13/1396412613.db2.gz CJDUOVMZIJQBSK-IGCXYCKISA-N 0 0 343.383 3.077 10 5 EGBERN O=C(CCC1CC1)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725812920 1426489997 /nfs/dbraw/zinc/48/99/97/1426489997.db2.gz NVYYAJHKLDYBKK-UHFFFAOYSA-N 0 0 349.456 3.095 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnc(N3CCCC3)n2Cc2ccoc2)c1 ZINC001698538129 1406143196 /nfs/dbraw/zinc/14/31/96/1406143196.db2.gz ZVPCZSTZOCGAAN-UHFFFAOYSA-N 0 0 339.355 3.095 10 5 EGBERN O=C(CCC1CCCCC1)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001732115967 1428368861 /nfs/dbraw/zinc/36/88/61/1428368861.db2.gz OUSAUIROKFRWOF-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CN(CCN(C)C(=O)C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001715507894 1420191381 /nfs/dbraw/zinc/19/13/81/1420191381.db2.gz AOLHFEGGQDZGRF-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN Cc1ccsc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001715510183 1420193892 /nfs/dbraw/zinc/19/38/92/1420193892.db2.gz RHZBEKBMKKCTAG-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)SC ZINC001727508765 1427107886 /nfs/dbraw/zinc/10/78/86/1427107886.db2.gz OLXFXIULJZINCJ-GFCCVEGCSA-N 0 0 349.460 3.137 10 5 EGBERN CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001765328089 1441396197 /nfs/dbraw/zinc/39/61/97/1441396197.db2.gz SKJYZPHLXSAPNG-SNAWJCMRSA-N 0 0 327.388 3.418 10 5 EGBERN CC[C@@H](NC(=O)NCC(C)(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000186120963 529619019 /nfs/dbraw/zinc/61/90/19/529619019.db2.gz VBXPWBKPIOXBBW-OAHLLOKOSA-N 0 0 337.420 3.408 10 5 EGBERN C[C@H]1CSc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000371101983 291032955 /nfs/dbraw/zinc/03/29/55/291032955.db2.gz VDRHMAVDUUMWMY-LLVKDONJSA-N 0 0 329.381 3.378 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc2ccccn2c1=S ZINC000024654686 202119748 /nfs/dbraw/zinc/11/97/48/202119748.db2.gz WCRZVWMULXTDQZ-NSHDSACASA-N 0 0 341.396 3.182 10 5 EGBERN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)c1ccccc1 ZINC000025252853 202128667 /nfs/dbraw/zinc/12/86/67/202128667.db2.gz NODCZIKMIPUOCN-UHFFFAOYSA-N 0 0 326.352 3.216 10 5 EGBERN O=C(Nc1ccc(F)cn1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348637799 295937086 /nfs/dbraw/zinc/93/70/86/295937086.db2.gz VDQNCYXBNZIWOR-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC(C)C ZINC000030493875 202195967 /nfs/dbraw/zinc/19/59/67/202195967.db2.gz CXGOFSHSFFTOOC-LBPRGKRZSA-N 0 0 344.433 3.097 10 5 EGBERN Cc1nc2cc(-n3cc(Br)cn3)c([N+](=O)[O-])cc2s1 ZINC000038074935 202391778 /nfs/dbraw/zinc/39/17/78/202391778.db2.gz AVYJVIAXJSJCNZ-UHFFFAOYSA-N 0 0 339.174 3.461 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000078733499 201193570 /nfs/dbraw/zinc/19/35/70/201193570.db2.gz JYTYXOIVTVJZPF-QHCPKHFHSA-N 0 0 332.381 3.034 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-] ZINC000058292137 202752499 /nfs/dbraw/zinc/75/24/99/202752499.db2.gz MEYDKUWLMPFYMR-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1nn(C)c(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)c1[N+](=O)[O-] ZINC000112257973 241537034 /nfs/dbraw/zinc/53/70/34/241537034.db2.gz BXUCQKPWFCXRQY-OAHLLOKOSA-N 0 0 344.415 3.414 10 5 EGBERN COc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000003494984 201573659 /nfs/dbraw/zinc/57/36/59/201573659.db2.gz VZDATSHTSBYEQT-UHFFFAOYSA-N 0 0 343.335 3.471 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000006560094 201685864 /nfs/dbraw/zinc/68/58/64/201685864.db2.gz GUQVKZFUAKJPSR-UHFFFAOYSA-N 0 0 340.788 3.069 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000120976867 284062926 /nfs/dbraw/zinc/06/29/26/284062926.db2.gz HHQSDJCOVJWOGC-OAHLLOKOSA-N 0 0 326.352 3.262 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000072064429 203161002 /nfs/dbraw/zinc/16/10/02/203161002.db2.gz ZDUTUBHMJBJREC-CQSZACIVSA-N 0 0 339.395 3.084 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000282219701 296159775 /nfs/dbraw/zinc/15/97/75/296159775.db2.gz MWCIWSNVDAPJPE-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)o1 ZINC000044316907 204297773 /nfs/dbraw/zinc/29/77/73/204297773.db2.gz PLJSTZVGMMHFRK-UHFFFAOYSA-N 0 0 339.145 3.223 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000125084994 204993453 /nfs/dbraw/zinc/99/34/53/204993453.db2.gz OSNZWGLLXOYESZ-INIZCTEOSA-N 0 0 334.397 3.238 10 5 EGBERN O=C(NCC1(CCO)CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000156627135 206090802 /nfs/dbraw/zinc/09/08/02/206090802.db2.gz ZIJHVJQUZMEWQX-UHFFFAOYSA-N 0 0 345.399 3.139 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000265241520 247329519 /nfs/dbraw/zinc/32/95/19/247329519.db2.gz OUAAGBYINODXOE-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN COC(=O)c1cnc(N2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000370289870 284597584 /nfs/dbraw/zinc/59/75/84/284597584.db2.gz SUOKIAKTPZIAJR-UHFFFAOYSA-N 0 0 343.339 3.053 10 5 EGBERN Cc1nc(C)c(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000266307739 248238829 /nfs/dbraw/zinc/23/88/29/248238829.db2.gz DKNPHTDKLFPXHX-SNVBAGLBSA-N 0 0 340.426 3.344 10 5 EGBERN Cc1c(CC(=O)Nc2cccc3c2OCCC3)cccc1[N+](=O)[O-] ZINC000378252858 169091890 /nfs/dbraw/zinc/09/18/90/169091890.db2.gz JUFLTXVLXWWTSH-UHFFFAOYSA-N 0 0 326.352 3.409 10 5 EGBERN Cc1nnc(CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)(C)C)o1 ZINC000095449747 218393812 /nfs/dbraw/zinc/39/38/12/218393812.db2.gz GTJVXQLJOZYMIU-UHFFFAOYSA-N 0 0 332.360 3.036 10 5 EGBERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000175000014 207082098 /nfs/dbraw/zinc/08/20/98/207082098.db2.gz OTZZZFLBEKJZAK-UHFFFAOYSA-N 0 0 348.384 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(CS(C)(=O)=O)c1 ZINC000175070482 207090102 /nfs/dbraw/zinc/09/01/02/207090102.db2.gz BNOUCEMBYSPVNH-UHFFFAOYSA-N 0 0 334.397 3.060 10 5 EGBERN O=C(OCc1ccsc1)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000097163185 258068478 /nfs/dbraw/zinc/06/84/78/258068478.db2.gz OUZNBVRHLKDPTO-UHFFFAOYSA-N 0 0 329.337 3.403 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000187022683 533520918 /nfs/dbraw/zinc/52/09/18/533520918.db2.gz KFWSYYUSVWBNDH-CYBMUJFWSA-N 0 0 347.396 3.346 10 5 EGBERN CCOc1cc(N2CCCC[C@H]2c2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000337872812 141069723 /nfs/dbraw/zinc/06/97/23/141069723.db2.gz OQHMDHKRFOBGRG-AWEZNQCLSA-N 0 0 331.376 3.152 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc2ccccc2n1 ZINC000338061799 141085381 /nfs/dbraw/zinc/08/53/81/141085381.db2.gz JKFRSGDWHSMEHH-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000338081548 141089953 /nfs/dbraw/zinc/08/99/53/141089953.db2.gz AFAUUKVYJPUICT-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN Cn1c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000338179000 141105450 /nfs/dbraw/zinc/10/54/50/141105450.db2.gz JLBROVXARMWSBM-LLVKDONJSA-N 0 0 345.321 3.128 10 5 EGBERN C[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000341183331 141133701 /nfs/dbraw/zinc/13/37/01/141133701.db2.gz JOUSBWXQGULJJK-BDQBCWGISA-N 0 0 344.411 3.401 10 5 EGBERN Cc1nnccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000347938517 141221044 /nfs/dbraw/zinc/22/10/44/141221044.db2.gz SYSAEMMIRZLROG-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnnc1C ZINC000347941511 141221966 /nfs/dbraw/zinc/22/19/66/141221966.db2.gz YNHYKBKEXBVNKE-UHFFFAOYSA-N 0 0 332.385 3.448 10 5 EGBERN Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)sn1 ZINC000359656165 141399988 /nfs/dbraw/zinc/39/99/88/141399988.db2.gz VPBHEESAVRAVCQ-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128101859 143958835 /nfs/dbraw/zinc/95/88/35/143958835.db2.gz IZFFKAJHMYRCBT-MEDUHNTESA-N 0 0 338.791 3.015 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128218405 143960139 /nfs/dbraw/zinc/96/01/39/143960139.db2.gz ILLNQGIGMBFPKO-WFASDCNBSA-N 0 0 326.352 3.198 10 5 EGBERN CCOc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000171547919 144006331 /nfs/dbraw/zinc/00/63/31/144006331.db2.gz ZNELLRFSEKETCP-UHFFFAOYSA-N 0 0 333.319 3.454 10 5 EGBERN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000172100091 144015735 /nfs/dbraw/zinc/01/57/35/144015735.db2.gz PBZVQUQAJVBHSD-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000172955547 144031861 /nfs/dbraw/zinc/03/18/61/144031861.db2.gz DGTOBXKZGWMNCE-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)n1 ZINC000173417131 144041776 /nfs/dbraw/zinc/04/17/76/144041776.db2.gz UYWFIANPIHVJRI-SNVBAGLBSA-N 0 0 337.426 3.441 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(Cl)c1 ZINC000173543052 144044524 /nfs/dbraw/zinc/04/45/24/144044524.db2.gz QIPLEGGHFSRPEH-HNNXBMFYSA-N 0 0 349.774 3.069 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000178941029 144077105 /nfs/dbraw/zinc/07/71/05/144077105.db2.gz DVABHCGFMRZJTJ-OAHLLOKOSA-N 0 0 331.328 3.102 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000185243854 144108501 /nfs/dbraw/zinc/10/85/01/144108501.db2.gz BMYMXJFQWNVOIJ-MEDUHNTESA-N 0 0 346.362 3.314 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(COC)cs1 ZINC000185371564 144111740 /nfs/dbraw/zinc/11/17/40/144111740.db2.gz XZVKJRGFPLPQPG-LBPRGKRZSA-N 0 0 349.412 3.405 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000192572502 144177189 /nfs/dbraw/zinc/17/71/89/144177189.db2.gz IPNFSSHJQKBPOK-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000344643230 144203827 /nfs/dbraw/zinc/20/38/27/144203827.db2.gz FQRGITGGVHRYAR-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CN(Cc1csc(N(C)C2CC2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000361644931 144341630 /nfs/dbraw/zinc/34/16/30/144341630.db2.gz QOIZPJFPLCWCFW-UHFFFAOYSA-N 0 0 332.429 3.282 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000361672242 144347725 /nfs/dbraw/zinc/34/77/25/144347725.db2.gz FPIUCYIBYJUYJB-UHFFFAOYSA-N 0 0 332.331 3.161 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC000363760536 144363630 /nfs/dbraw/zinc/36/36/30/144363630.db2.gz ZODOJWIZPBYCNT-OAHLLOKOSA-N 0 0 325.368 3.115 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363872436 144372973 /nfs/dbraw/zinc/37/29/73/144372973.db2.gz BFZCDELLNVQFBE-HNNXBMFYSA-N 0 0 333.294 3.245 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365331323 144427950 /nfs/dbraw/zinc/42/79/50/144427950.db2.gz ZYFOGNLQOAVKBK-CYBMUJFWSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1 ZINC000374857870 144559128 /nfs/dbraw/zinc/55/91/28/144559128.db2.gz SKMUUPWORIDGJK-CYBMUJFWSA-N 0 0 343.358 3.254 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374966440 144563839 /nfs/dbraw/zinc/56/38/39/144563839.db2.gz XRJMHOPNNKTLQH-UHFFFAOYSA-N 0 0 326.352 3.436 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000341078756 155144447 /nfs/dbraw/zinc/14/44/47/155144447.db2.gz ZZYBPOXPNFNTSM-HUUCEWRRSA-N 0 0 330.388 3.452 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000116822122 152077815 /nfs/dbraw/zinc/07/78/15/152077815.db2.gz FSLLKYPOZMOHDW-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000120064587 152248794 /nfs/dbraw/zinc/24/87/94/152248794.db2.gz UFMUZRZBQQUNKT-CYBMUJFWSA-N 0 0 328.368 3.312 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000120186990 152258682 /nfs/dbraw/zinc/25/86/82/152258682.db2.gz GUYMUXQUNLJLBW-AWEZNQCLSA-N 0 0 327.340 3.467 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCc2cccnc2-n2ccnc2)c(F)c1 ZINC000121683519 152364646 /nfs/dbraw/zinc/36/46/46/152364646.db2.gz MNQUOICSNZCSPA-UHFFFAOYSA-N 0 0 331.282 3.066 10 5 EGBERN O=C1Nc2ccccc2[C@H]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121679315 152364789 /nfs/dbraw/zinc/36/47/89/152364789.db2.gz YPAUQOQWUKBECI-LLVKDONJSA-N 0 0 333.294 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190424187 153141794 /nfs/dbraw/zinc/14/17/94/153141794.db2.gz AENPJRZAQHLADD-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN CCOC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000190989006 153170603 /nfs/dbraw/zinc/17/06/03/153170603.db2.gz NNFVUKOYPJRADR-JKSUJKDBSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000194248953 153327470 /nfs/dbraw/zinc/32/74/70/153327470.db2.gz XJFIFNTXEKRACG-UHFFFAOYSA-N 0 0 347.381 3.131 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc2[nH]ccc21 ZINC000336904418 154235668 /nfs/dbraw/zinc/23/56/68/154235668.db2.gz DGJJAOQEBHDYGJ-UHFFFAOYSA-N 0 0 338.367 3.090 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@H]1C(F)F ZINC000337285109 154260839 /nfs/dbraw/zinc/26/08/39/154260839.db2.gz LMTAFFTXPUEQKL-ZDUSSCGKSA-N 0 0 335.310 3.403 10 5 EGBERN CC(=O)c1cc(N[C@@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000340015972 155072665 /nfs/dbraw/zinc/07/26/65/155072665.db2.gz QIWVSISGUMWSRA-JTQLQIEISA-N 0 0 330.388 3.191 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000340156379 155116346 /nfs/dbraw/zinc/11/63/46/155116346.db2.gz CVDQZCLGNOBYFH-UHFFFAOYSA-N 0 0 340.314 3.350 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2F ZINC000341042955 155128367 /nfs/dbraw/zinc/12/83/67/155128367.db2.gz VAJSSDDPKJSPBO-MRXNPFEDSA-N 0 0 343.358 3.263 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CC[C@@H](c4ccccc4)O3)[nH]c2c1 ZINC000341047176 155128817 /nfs/dbraw/zinc/12/88/17/155128817.db2.gz LPEUKCZGKNUEJG-PBHICJAKSA-N 0 0 338.367 3.225 10 5 EGBERN CCc1nc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cs1 ZINC000341063216 155131533 /nfs/dbraw/zinc/13/15/33/155131533.db2.gz DWLWXVRUDXNCRV-UHFFFAOYSA-N 0 0 337.426 3.266 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000345353797 156066138 /nfs/dbraw/zinc/06/61/38/156066138.db2.gz WVOUMRYIVCUBPX-UHFFFAOYSA-N 0 0 348.362 3.170 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COCc2cccnc2)cc1[N+](=O)[O-] ZINC000345445088 156109347 /nfs/dbraw/zinc/10/93/47/156109347.db2.gz XOAHAZJJPQOJLL-UHFFFAOYSA-N 0 0 343.383 3.443 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000345551069 156138209 /nfs/dbraw/zinc/13/82/09/156138209.db2.gz SQIOVHRMOSHYSJ-UHFFFAOYSA-N 0 0 341.701 3.160 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4C[C@@H]4C(F)F)n3)c2c1 ZINC000346859806 156165944 /nfs/dbraw/zinc/16/59/44/156165944.db2.gz CBYMQMKUHBSASB-QWRGUYRKSA-N 0 0 334.282 3.419 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C(F)(F)Cc3ccccc3)n2)nc1 ZINC000346870523 156171855 /nfs/dbraw/zinc/17/18/55/156171855.db2.gz NTCNHTXGJLJGGS-UHFFFAOYSA-N 0 0 346.293 3.298 10 5 EGBERN CC(=O)c1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000348937919 156295567 /nfs/dbraw/zinc/29/55/67/156295567.db2.gz YHFKAUOYNYZVDS-GFCCVEGCSA-N 0 0 338.363 3.318 10 5 EGBERN COCCCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000106694539 292347134 /nfs/dbraw/zinc/34/71/34/292347134.db2.gz QOZFOWVADYSHJI-UHFFFAOYSA-N 0 0 349.412 3.039 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000356453043 156699097 /nfs/dbraw/zinc/69/90/97/156699097.db2.gz NUABORSBUVNQRC-CQSZACIVSA-N 0 0 348.424 3.092 10 5 EGBERN CO[C@@](C)(CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000362211864 157076272 /nfs/dbraw/zinc/07/62/72/157076272.db2.gz DQFYQZSSOJNAQB-AWEZNQCLSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc1 ZINC000372731567 157373019 /nfs/dbraw/zinc/37/30/19/157373019.db2.gz ILCZZKIVMDDNDP-CQSZACIVSA-N 0 0 325.368 3.115 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000372783671 157383785 /nfs/dbraw/zinc/38/37/85/157383785.db2.gz MWHZWDLHKZQZBE-GFCCVEGCSA-N 0 0 335.795 3.390 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000061139514 161547986 /nfs/dbraw/zinc/54/79/86/161547986.db2.gz VGWZTXLUWTZGOF-UHFFFAOYSA-N 0 0 346.387 3.054 10 5 EGBERN CN(CCc1cccs1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000081299492 161835416 /nfs/dbraw/zinc/83/54/16/161835416.db2.gz ZHMWHYWMBNLDBH-UHFFFAOYSA-N 0 0 329.381 3.452 10 5 EGBERN CCc1nc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cs1 ZINC000094125028 162041126 /nfs/dbraw/zinc/04/11/26/162041126.db2.gz LXXTYGBCZLYUCO-UHFFFAOYSA-N 0 0 333.413 3.469 10 5 EGBERN CCCc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000109913256 162115378 /nfs/dbraw/zinc/11/53/78/162115378.db2.gz WUBQLDZRMRNLNL-JTQLQIEISA-N 0 0 334.401 3.390 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000304256846 163066275 /nfs/dbraw/zinc/06/62/75/163066275.db2.gz CGYVLLOKJNSRFO-OAHLLOKOSA-N 0 0 329.356 3.148 10 5 EGBERN CC[C@H](NC(=O)c1cnc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337042650 163112265 /nfs/dbraw/zinc/11/22/65/163112265.db2.gz JNVITHHNANUOBY-INIZCTEOSA-N 0 0 336.351 3.419 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2SC)n1 ZINC000337146204 163144272 /nfs/dbraw/zinc/14/42/72/163144272.db2.gz IBCMCDNLAUYVMH-SNVBAGLBSA-N 0 0 334.401 3.024 10 5 EGBERN COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000337185550 163156549 /nfs/dbraw/zinc/15/65/49/163156549.db2.gz OJZAOLWEHGEQTK-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CSC1(C)C ZINC000338514433 163254612 /nfs/dbraw/zinc/25/46/12/163254612.db2.gz MLDOAAUZSSTECX-GFCCVEGCSA-N 0 0 325.390 3.009 10 5 EGBERN CC[C@@H](NC(=O)NC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338654506 163307607 /nfs/dbraw/zinc/30/76/07/163307607.db2.gz GPOLUFWQDMFSGP-MRXNPFEDSA-N 0 0 349.431 3.430 10 5 EGBERN CC[C@H](NC(=O)N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338657594 163308467 /nfs/dbraw/zinc/30/84/67/163308467.db2.gz VPPAQFBXBSWWHX-RDJZCZTQSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338854316 163364982 /nfs/dbraw/zinc/36/49/82/163364982.db2.gz CPFBJIPHHNSOIH-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2cccnc2)cc1C(F)(F)F ZINC000340931028 163696937 /nfs/dbraw/zinc/69/69/37/163696937.db2.gz JQOOHAPYYFYVKT-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN CCS[C@H]1CCC[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342525037 163900544 /nfs/dbraw/zinc/90/05/44/163900544.db2.gz WJVINQADALDCOA-KGLIPLIRSA-N 0 0 344.383 3.206 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000342592075 163918239 /nfs/dbraw/zinc/91/82/39/163918239.db2.gz MDIOZSWKPMDSEV-SNVBAGLBSA-N 0 0 330.356 3.381 10 5 EGBERN COc1ccc(F)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343586906 163989656 /nfs/dbraw/zinc/98/96/56/163989656.db2.gz VVMGTXLBLLGFEX-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[S@@](C)=O)cc2)n1 ZINC000343822650 164044288 /nfs/dbraw/zinc/04/42/88/164044288.db2.gz ZFXINVKQNSTSPX-HSZRJFAPSA-N 0 0 333.413 3.097 10 5 EGBERN Cc1noc(C2CC2)c1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343829535 164045522 /nfs/dbraw/zinc/04/55/22/164045522.db2.gz MAWORNGMNJSKKY-UHFFFAOYSA-N 0 0 337.282 3.228 10 5 EGBERN Cc1cc(CCNc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000343923561 164067008 /nfs/dbraw/zinc/06/70/08/164067008.db2.gz WIKOTLZSZAWJBS-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@H]1c1ccccc1 ZINC000344174365 164120277 /nfs/dbraw/zinc/12/02/77/164120277.db2.gz FVXUFMDVAGPDQX-HOCLYGCPSA-N 0 0 330.771 3.463 10 5 EGBERN CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000344200014 164125086 /nfs/dbraw/zinc/12/50/86/164125086.db2.gz NRTXTTNPXLLHLI-DGCLKSJQSA-N 0 0 333.294 3.035 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000344285999 164146892 /nfs/dbraw/zinc/14/68/92/164146892.db2.gz MLVITEKMSPVEKB-NHYWBVRUSA-N 0 0 346.412 3.162 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)OC ZINC000344360560 164163806 /nfs/dbraw/zinc/16/38/06/164163806.db2.gz YMXUKRKZJGNZJR-WDEREUQCSA-N 0 0 326.418 3.250 10 5 EGBERN COC(=O)CCCOc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344421694 164175394 /nfs/dbraw/zinc/17/53/94/164175394.db2.gz PLBLGZMMDVLCHX-UHFFFAOYSA-N 0 0 331.328 3.065 10 5 EGBERN CCCN(C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])nc1 ZINC000344439051 164179171 /nfs/dbraw/zinc/17/91/71/164179171.db2.gz SZMYAXCNQHNPPH-CQSZACIVSA-N 0 0 329.356 3.046 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)Cc3ccccc3)n2)n1C ZINC000347139237 164450313 /nfs/dbraw/zinc/45/03/13/164450313.db2.gz RLSQVPDATDZTSG-JTQLQIEISA-N 0 0 327.344 3.033 10 5 EGBERN COc1cc(C(=O)Nc2cnc(C)nc2C2CC2)cc([N+](=O)[O-])c1C ZINC000347582466 164525040 /nfs/dbraw/zinc/52/50/40/164525040.db2.gz DKJYLTRMEIZHEZ-UHFFFAOYSA-N 0 0 342.355 3.140 10 5 EGBERN CC(=O)NCc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000349863601 164962428 /nfs/dbraw/zinc/96/24/28/164962428.db2.gz LXKMZDXJWAMEOC-UHFFFAOYSA-N 0 0 344.352 3.009 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000351679016 165128913 /nfs/dbraw/zinc/12/89/13/165128913.db2.gz LEEWVBSOHWFOGE-YPMHNXCESA-N 0 0 338.429 3.394 10 5 EGBERN COc1ccc(OCc2ccc([N+](=O)[O-])c(OC)c2)cc1C(C)=O ZINC000352212571 165287719 /nfs/dbraw/zinc/28/77/19/165287719.db2.gz AGCZJPMOAUXVKS-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2sccc2c1 ZINC000355386560 166181564 /nfs/dbraw/zinc/18/15/64/166181564.db2.gz RHQZRRBJXZLNMO-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN CC1(C2CC2)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000355474280 166213666 /nfs/dbraw/zinc/21/36/66/166213666.db2.gz RQOGCMNBCGNBHA-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@@H](C(=O)NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1F ZINC000355718387 166289128 /nfs/dbraw/zinc/28/91/28/166289128.db2.gz FRACBYNISBFAMN-SNVBAGLBSA-N 0 0 342.330 3.030 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000355830893 166322235 /nfs/dbraw/zinc/32/22/35/166322235.db2.gz FTVDQHXDZKZTIZ-ZDUSSCGKSA-N 0 0 342.342 3.318 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000355876909 166335727 /nfs/dbraw/zinc/33/57/27/166335727.db2.gz BGLWOQNUMUCJJW-UHFFFAOYSA-N 0 0 345.380 3.210 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355883325 166337634 /nfs/dbraw/zinc/33/76/34/166337634.db2.gz ONSFENKGKKODMC-UHFFFAOYSA-N 0 0 345.424 3.285 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000355937020 166352901 /nfs/dbraw/zinc/35/29/01/166352901.db2.gz GLRWIWWKRNEIJS-MGPQQGTHSA-N 0 0 342.399 3.287 10 5 EGBERN COc1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cn1 ZINC000356027541 166379748 /nfs/dbraw/zinc/37/97/48/166379748.db2.gz DSBIIYWWBIVXJD-UHFFFAOYSA-N 0 0 338.279 3.462 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000356725422 166492589 /nfs/dbraw/zinc/49/25/89/166492589.db2.gz AEVYXDOBCVDCCY-UHFFFAOYSA-N 0 0 341.367 3.244 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCO3)no2)ccc1OC(F)F ZINC000357120381 166590673 /nfs/dbraw/zinc/59/06/73/166590673.db2.gz NEFFEKXYIIIDQP-JTQLQIEISA-N 0 0 327.243 3.098 10 5 EGBERN CC[C@H](C)n1nc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1C ZINC000357327625 166648049 /nfs/dbraw/zinc/64/80/49/166648049.db2.gz GCAFDIDXDQSWOY-JTQLQIEISA-N 0 0 342.359 3.107 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000358524360 166888497 /nfs/dbraw/zinc/88/84/97/166888497.db2.gz UTBHQBFIALLSGW-VIFPVBQESA-N 0 0 332.200 3.339 10 5 EGBERN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000358912635 167003464 /nfs/dbraw/zinc/00/34/64/167003464.db2.gz FDRCXFNHYUOGHD-LBPRGKRZSA-N 0 0 334.401 3.310 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CC2)cc1F ZINC000358917938 167005236 /nfs/dbraw/zinc/00/52/36/167005236.db2.gz IDLNQTLIGHECBS-UHFFFAOYSA-N 0 0 329.331 3.245 10 5 EGBERN Cc1cccc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000358973879 167024290 /nfs/dbraw/zinc/02/42/90/167024290.db2.gz HPYBILRQWNZSND-UHFFFAOYSA-N 0 0 337.282 3.176 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2CC(=O)c2ccco2)n1 ZINC000359090729 167063688 /nfs/dbraw/zinc/06/36/88/167063688.db2.gz DURNNAHJJDICBG-ZDUSSCGKSA-N 0 0 329.356 3.441 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359105039 167067551 /nfs/dbraw/zinc/06/75/51/167067551.db2.gz WJRZLFRAOJIBPB-CQSZACIVSA-N 0 0 342.399 3.306 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000359120983 167072523 /nfs/dbraw/zinc/07/25/23/167072523.db2.gz IFMNXCOTLUHDMZ-ZIAGYGMSSA-N 0 0 346.383 3.498 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(-c2cccnc2)s1 ZINC000359355416 167134948 /nfs/dbraw/zinc/13/49/48/167134948.db2.gz AGWQJJNYGWYMOD-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000359533719 167182172 /nfs/dbraw/zinc/18/21/72/167182172.db2.gz QLERUYDJUJCPCH-KANYHAFZSA-N 0 0 330.388 3.485 10 5 EGBERN COc1cc(C(=O)Nc2cccc(CCCO)c2)cc([N+](=O)[O-])c1C ZINC000359876763 167255514 /nfs/dbraw/zinc/25/55/14/167255514.db2.gz NBPUFQIUBWPDDB-UHFFFAOYSA-N 0 0 344.367 3.089 10 5 EGBERN COc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000360396072 167319700 /nfs/dbraw/zinc/31/97/00/167319700.db2.gz QVAFLPJSBRERHL-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC(F)F)cn1 ZINC000361845137 167673307 /nfs/dbraw/zinc/67/33/07/167673307.db2.gz YTUAPGVPFPRXIO-VIFPVBQESA-N 0 0 349.293 3.183 10 5 EGBERN C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000362489728 167771224 /nfs/dbraw/zinc/77/12/24/167771224.db2.gz XDUZKBUOSSSHQK-UKRRQHHQSA-N 0 0 337.383 3.095 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000364965984 168006234 /nfs/dbraw/zinc/00/62/34/168006234.db2.gz UXYCSRRPSMRZSG-SZGUKTLCSA-N 0 0 344.411 3.416 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000365173552 168031591 /nfs/dbraw/zinc/03/15/91/168031591.db2.gz VZQVZYJQOQJTJI-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN O=C([C@@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)N1CCCCC1 ZINC000366632500 168125435 /nfs/dbraw/zinc/12/54/35/168125435.db2.gz IBKKVGWHTDXKLD-OLZOCXBDSA-N 0 0 335.379 3.327 10 5 EGBERN Cc1sc(C(=O)N2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000367298668 168203768 /nfs/dbraw/zinc/20/37/68/168203768.db2.gz LZXSQBDXGIPPEB-UHFFFAOYSA-N 0 0 336.344 3.139 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CCCCC1 ZINC000125481288 222568478 /nfs/dbraw/zinc/56/84/78/222568478.db2.gz VWXRVJAUMRZSAJ-NSHDSACASA-N 0 0 326.418 3.379 10 5 EGBERN CC(C)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087036062 264676532 /nfs/dbraw/zinc/67/65/32/264676532.db2.gz TXKXXTJSJAUTQO-VIFPVBQESA-N 0 0 329.194 3.061 10 5 EGBERN C[C@@H](CC(=O)c1ccco1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155438836 264815448 /nfs/dbraw/zinc/81/54/48/264815448.db2.gz GFTKQRAHZUTUMA-JTQLQIEISA-N 0 0 341.323 3.060 10 5 EGBERN CCOc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000175446939 265114226 /nfs/dbraw/zinc/11/42/26/265114226.db2.gz ZHXBDLLTHZWJAD-VXGBXAGGSA-N 0 0 336.388 3.263 10 5 EGBERN CSc1ccc(C(=O)N(C)c2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000176789759 265205535 /nfs/dbraw/zinc/20/55/35/265205535.db2.gz RSEZETIFBDNPQG-UHFFFAOYSA-N 0 0 346.412 3.054 10 5 EGBERN COc1cccc(C(=O)N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000194129818 266092315 /nfs/dbraw/zinc/09/23/15/266092315.db2.gz QPSOBDLAROMUIY-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC000195524661 266186634 /nfs/dbraw/zinc/18/66/34/266186634.db2.gz KJUCRXLOWANFRE-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000195520421 266186781 /nfs/dbraw/zinc/18/67/81/266186781.db2.gz RMCOSCGKZHRCLP-UHFFFAOYSA-N 0 0 341.245 3.449 10 5 EGBERN CC[C@@H](NC(=O)NCC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271950998 266745370 /nfs/dbraw/zinc/74/53/70/266745370.db2.gz XVSUDEVVRVLPAI-CVEARBPZSA-N 0 0 349.431 3.142 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCCS1 ZINC000272245290 266800639 /nfs/dbraw/zinc/80/06/39/266800639.db2.gz YZCSBEZXVTVOJT-JTQLQIEISA-N 0 0 331.191 3.191 10 5 EGBERN COC(=O)c1cc(NC[C@H](C)c2nccs2)cc(C)c1[N+](=O)[O-] ZINC000273313585 267018085 /nfs/dbraw/zinc/01/80/85/267018085.db2.gz NYVKEANYCFRQGG-JTQLQIEISA-N 0 0 335.385 3.362 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)s1 ZINC000273381899 267029816 /nfs/dbraw/zinc/02/98/16/267029816.db2.gz ILGIGRAPVALHBQ-UHFFFAOYSA-N 0 0 338.364 3.205 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273458010 267042740 /nfs/dbraw/zinc/04/27/40/267042740.db2.gz FYXKDAKBBVECEO-CQSZACIVSA-N 0 0 348.424 3.426 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000274773163 267285484 /nfs/dbraw/zinc/28/54/84/267285484.db2.gz DFMDOCHPORZNCR-UKRRQHHQSA-N 0 0 335.404 3.164 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000075292471 287675125 /nfs/dbraw/zinc/67/51/25/287675125.db2.gz XVSCMKFZQQYIEA-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372010613 274408939 /nfs/dbraw/zinc/40/89/39/274408939.db2.gz PMKFKTSXYMWKIF-YPMHNXCESA-N 0 0 329.331 3.147 10 5 EGBERN O=c1[nH]c(N2CC[C@H](c3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000376216985 275038955 /nfs/dbraw/zinc/03/89/55/275038955.db2.gz CILHTLQQORTNHR-ZDUSSCGKSA-N 0 0 336.351 3.238 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc(C)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000089455734 275152978 /nfs/dbraw/zinc/15/29/78/275152978.db2.gz ADHKEDVFSWRTFI-MRXNPFEDSA-N 0 0 328.368 3.419 10 5 EGBERN COc1cc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccc1C ZINC000103376703 275161741 /nfs/dbraw/zinc/16/17/41/275161741.db2.gz YGZANPGKEZXBHJ-CYBMUJFWSA-N 0 0 340.379 3.432 10 5 EGBERN O=C(Nc1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000156156742 275194329 /nfs/dbraw/zinc/19/43/29/275194329.db2.gz MMTHFHMDMLRGDS-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])c2ncccc12)c1ccccc1 ZINC000184974848 275214310 /nfs/dbraw/zinc/21/43/10/275214310.db2.gz HHSVRDRDQHITQN-UHFFFAOYSA-N 0 0 337.335 3.185 10 5 EGBERN C[C@@H]1COCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194831853 275227486 /nfs/dbraw/zinc/22/74/86/275227486.db2.gz BCKXABFHDIXSKW-PSASIEDQSA-N 0 0 332.278 3.225 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279470661 275333463 /nfs/dbraw/zinc/33/34/63/275333463.db2.gz QQWJRWVYTUMVDI-PLTUTCJHSA-N 0 0 330.384 3.024 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281316624 275539593 /nfs/dbraw/zinc/53/95/93/275539593.db2.gz IWSDOOGGMJSFAM-MRXNPFEDSA-N 0 0 343.387 3.396 10 5 EGBERN C[C@H]1CC(CNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000281936455 275590030 /nfs/dbraw/zinc/59/00/30/275590030.db2.gz RVKVKVWVJIRGPP-IUCAKERBSA-N 0 0 344.209 3.368 10 5 EGBERN CC[C@H](NC(=O)c1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000282220478 275612620 /nfs/dbraw/zinc/61/26/20/275612620.db2.gz CJODPUPMQOHEMQ-LBPRGKRZSA-N 0 0 334.401 3.451 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284383419 275796339 /nfs/dbraw/zinc/79/63/39/275796339.db2.gz MCZWZUXMOFYIRA-HNNXBMFYSA-N 0 0 346.362 3.022 10 5 EGBERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000284566043 275810206 /nfs/dbraw/zinc/81/02/06/275810206.db2.gz IIGWPGWRYHEWBR-QFSBIZTOSA-N 0 0 337.395 3.226 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000287160706 276090613 /nfs/dbraw/zinc/09/06/13/276090613.db2.gz YLORPYBDFMUUDY-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN CCOC1CC(N(C)C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000287812994 276159789 /nfs/dbraw/zinc/15/97/89/276159789.db2.gz XCKLFBIISBFNIN-GPANFISMSA-N 0 0 335.404 3.255 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2sccc2C1 ZINC000289551830 276356837 /nfs/dbraw/zinc/35/68/37/276356837.db2.gz SBFIUELHHFLUGV-UHFFFAOYSA-N 0 0 341.396 3.015 10 5 EGBERN CCOC(=O)CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291618591 276667335 /nfs/dbraw/zinc/66/73/35/276667335.db2.gz KIBQKPMTBZZXMJ-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN COCCCOC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292007588 276720272 /nfs/dbraw/zinc/72/02/72/276720272.db2.gz RUTCKMHTSYPCBE-UHFFFAOYSA-N 0 0 345.399 3.165 10 5 EGBERN CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(Cl)cc1 ZINC000351499791 277015452 /nfs/dbraw/zinc/01/54/52/277015452.db2.gz CNSKZWBQQSAINR-XJKSGUPXSA-N 0 0 346.774 3.027 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000188126229 278027878 /nfs/dbraw/zinc/02/78/78/278027878.db2.gz ROFANUSSIISNSH-DNVCBOLYSA-N 0 0 346.427 3.485 10 5 EGBERN CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000362373822 278507368 /nfs/dbraw/zinc/50/73/68/278507368.db2.gz PQJWLVLOTDGHHN-ZDUSSCGKSA-N 0 0 329.400 3.233 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc2c(s1)CCOC2 ZINC000103374942 280023619 /nfs/dbraw/zinc/02/36/19/280023619.db2.gz PLHDEOMSVISPET-JTQLQIEISA-N 0 0 344.392 3.320 10 5 EGBERN Cc1ccc(-n2cnc3c2CCN(c2ccncc2[N+](=O)[O-])C3)cc1 ZINC000340862493 280746650 /nfs/dbraw/zinc/74/66/50/280746650.db2.gz GJNSMJQOJCLVBY-UHFFFAOYSA-N 0 0 335.367 3.047 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])C(C)C ZINC000362817016 293427536 /nfs/dbraw/zinc/42/75/36/293427536.db2.gz HPLUTILOEDVBAV-NSHDSACASA-N 0 0 326.418 3.202 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000408110657 297076942 /nfs/dbraw/zinc/07/69/42/297076942.db2.gz TUFZUYRZIPZFKL-SQFXPLBJSA-N 0 0 337.228 3.106 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000408173250 301203610 /nfs/dbraw/zinc/20/36/10/301203610.db2.gz IMNFJFDBVOOJJE-CAPXZKIUSA-N 0 0 333.432 3.373 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000408172500 302045632 /nfs/dbraw/zinc/04/56/32/302045632.db2.gz XEPLOGYUGSAJFV-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000360432519 302047333 /nfs/dbraw/zinc/04/73/33/302047333.db2.gz ZIJNJAHEGWUFKQ-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000344416438 304803231 /nfs/dbraw/zinc/80/32/31/304803231.db2.gz JEBNUZKFHUCEMO-AWEZNQCLSA-N 0 0 327.340 3.103 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000052755937 307333668 /nfs/dbraw/zinc/33/36/68/307333668.db2.gz XNTJASKIHBWDRS-CQSZACIVSA-N 0 0 347.371 3.404 10 5 EGBERN C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243570 307356622 /nfs/dbraw/zinc/35/66/22/307356622.db2.gz RZDUVVKAQFWOPB-JTQLQIEISA-N 0 0 326.399 3.038 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000071050579 307377768 /nfs/dbraw/zinc/37/77/68/307377768.db2.gz XVBHHPIYCIDLFZ-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000075277626 307398522 /nfs/dbraw/zinc/39/85/22/307398522.db2.gz UTVVALLMYBUHEJ-NWDGAFQWSA-N 0 0 334.372 3.032 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000079550116 307427269 /nfs/dbraw/zinc/42/72/69/307427269.db2.gz QLMKPACIMDZFGC-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000413975753 309054936 /nfs/dbraw/zinc/05/49/36/309054936.db2.gz QLYDZNWBLLMIDJ-NSHDSACASA-N 0 0 328.372 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000151713859 307737917 /nfs/dbraw/zinc/73/79/17/307737917.db2.gz JUOUNEZAVLGXHT-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN COc1cccc(Cl)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000156583771 307835094 /nfs/dbraw/zinc/83/50/94/307835094.db2.gz WLICAFPXPUFSJR-UHFFFAOYSA-N 0 0 334.759 3.462 10 5 EGBERN COc1cccc(Cl)c1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000156572803 307835290 /nfs/dbraw/zinc/83/52/90/307835290.db2.gz DWJQMFRVGPEDSY-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(C(C)(C)C)cc1 ZINC000161485283 307903166 /nfs/dbraw/zinc/90/31/66/307903166.db2.gz GSJUAVBIADZIGV-LLVKDONJSA-N 0 0 330.388 3.117 10 5 EGBERN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000248290126 308000794 /nfs/dbraw/zinc/00/07/94/308000794.db2.gz KPENLDJIVVEEAH-UHFFFAOYSA-N 0 0 328.324 3.332 10 5 EGBERN COc1cc(C(=O)NC/C=C\c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000255357573 308047655 /nfs/dbraw/zinc/04/76/55/308047655.db2.gz IGUKBBWELBOESG-TWGQIWQCSA-N 0 0 342.351 3.055 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293836789 308166534 /nfs/dbraw/zinc/16/65/34/308166534.db2.gz GYIUDXIZDRYHQD-LLVKDONJSA-N 0 0 349.412 3.251 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C2CC2)n1 ZINC000293887939 308171221 /nfs/dbraw/zinc/17/12/21/308171221.db2.gz KHUKIBDIUGTEKY-UHFFFAOYSA-N 0 0 327.340 3.275 10 5 EGBERN C[C@@]12CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]1C2(F)F ZINC000293951409 308176977 /nfs/dbraw/zinc/17/69/77/308176977.db2.gz IUHJFFYSEHOEMR-SWLSCSKDSA-N 0 0 335.310 3.193 10 5 EGBERN COC[C@@H]1CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000294390859 308216762 /nfs/dbraw/zinc/21/67/62/308216762.db2.gz PWVDSSFYNZJNPQ-HNNXBMFYSA-N 0 0 341.367 3.199 10 5 EGBERN CC(C)(C(=O)N1CCC[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295464138 308329455 /nfs/dbraw/zinc/32/94/55/308329455.db2.gz HIUIXVUNWHTELB-INIZCTEOSA-N 0 0 326.343 3.362 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@H]3[C@H]3CCCO3)nc2c1 ZINC000295635446 308345744 /nfs/dbraw/zinc/34/57/44/308345744.db2.gz CVGGXRHBWPSZCF-HUUCEWRRSA-N 0 0 328.372 3.009 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296299618 308413392 /nfs/dbraw/zinc/41/33/92/308413392.db2.gz KGASELPMUYMTHB-JTQLQIEISA-N 0 0 332.360 3.014 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000297026829 308491452 /nfs/dbraw/zinc/49/14/52/308491452.db2.gz NKDKIRIHWVZZQS-ZDUSSCGKSA-N 0 0 340.807 3.444 10 5 EGBERN CCOc1ccccc1[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000298345157 308605459 /nfs/dbraw/zinc/60/54/59/308605459.db2.gz IQDRWVQNPDDGGA-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN C[C@@H](CCC1CCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301325531 308696530 /nfs/dbraw/zinc/69/65/30/308696530.db2.gz AMJULPKYVBMUBF-NSHDSACASA-N 0 0 341.433 3.013 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000301382593 308698605 /nfs/dbraw/zinc/69/86/05/308698605.db2.gz SXMMNQOCAIROST-UHFFFAOYSA-N 0 0 335.404 3.429 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NCC2(C)CCC2)c([N+](=O)[O-])c1 ZINC000301533094 308704132 /nfs/dbraw/zinc/70/41/32/308704132.db2.gz IGNSEFRYCQRWQZ-UHFFFAOYSA-N 0 0 328.372 3.161 10 5 EGBERN Cc1nc(N[C@H]2CCN(c3ncccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000301670737 308710139 /nfs/dbraw/zinc/71/01/39/308710139.db2.gz QIHNWALOQSWVQD-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301764386 308714380 /nfs/dbraw/zinc/71/43/80/308714380.db2.gz NDMSRYDFNMBZIB-CQSZACIVSA-N 0 0 346.305 3.393 10 5 EGBERN Cc1cc(N(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301959428 308723191 /nfs/dbraw/zinc/72/31/91/308723191.db2.gz PIDMXGXTLBJTQO-KRWDZBQOSA-N 0 0 325.368 3.145 10 5 EGBERN CO[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000301978340 308723918 /nfs/dbraw/zinc/72/39/18/308723918.db2.gz WYCQQULVXOOGGY-LBPRGKRZSA-N 0 0 347.762 3.091 10 5 EGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Sc1ccccc1 ZINC000301993419 308724489 /nfs/dbraw/zinc/72/44/89/308724489.db2.gz NODSLBWSHZPFPS-NSHDSACASA-N 0 0 329.385 3.230 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCOc4c(F)cccc43)nn21 ZINC000302053218 308727179 /nfs/dbraw/zinc/72/71/79/308727179.db2.gz PHOVCBJZZBVHKD-LBPRGKRZSA-N 0 0 343.318 3.102 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000302054370 308727293 /nfs/dbraw/zinc/72/72/93/308727293.db2.gz PVLPDSCPHPPXGH-APPDUMDISA-N 0 0 328.372 3.260 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302070208 308728059 /nfs/dbraw/zinc/72/80/59/308728059.db2.gz XYLHLIUVAHFRFX-GTNSWQLSSA-N 0 0 349.387 3.320 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302137219 308730260 /nfs/dbraw/zinc/73/02/60/308730260.db2.gz FGBMTRJDUKWMCR-CQSZACIVSA-N 0 0 331.372 3.304 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000302142384 308730522 /nfs/dbraw/zinc/73/05/22/308730522.db2.gz PNLDNDZFNWVKRN-WBMJQRKESA-N 0 0 341.367 3.364 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000302147174 308730853 /nfs/dbraw/zinc/73/08/53/308730853.db2.gz JWNKIZAQMZDYDE-HNNXBMFYSA-N 0 0 331.372 3.304 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000302177385 308732129 /nfs/dbraw/zinc/73/21/29/308732129.db2.gz XABGNBDTIJXLHN-GFCCVEGCSA-N 0 0 335.335 3.134 10 5 EGBERN CN(CC1(CO)CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302525608 308738943 /nfs/dbraw/zinc/73/89/43/308738943.db2.gz ZRGSJAUSWQUIMS-UHFFFAOYSA-N 0 0 338.713 3.476 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000302605207 308740520 /nfs/dbraw/zinc/74/05/20/308740520.db2.gz DBPIIYSRBKQEFZ-UKRRQHHQSA-N 0 0 346.408 3.214 10 5 EGBERN O=C1CCCN1Cc1ccccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302821501 308747018 /nfs/dbraw/zinc/74/70/18/308747018.db2.gz QSBZJAFUUXTLQX-UHFFFAOYSA-N 0 0 343.358 3.468 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(CN2CCOCC2)cc1 ZINC000302844381 308747809 /nfs/dbraw/zinc/74/78/09/308747809.db2.gz FUYZFHUANLQFHG-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000322874458 308768365 /nfs/dbraw/zinc/76/83/65/308768365.db2.gz XAIQQRUHCSDWHK-SNVBAGLBSA-N 0 0 332.278 3.160 10 5 EGBERN CO[C@@](C)(c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000354102561 308887120 /nfs/dbraw/zinc/88/71/20/308887120.db2.gz HTTWNXCXWQCRBJ-QGZVFWFLSA-N 0 0 344.371 3.491 10 5 EGBERN Cc1cccc(NCc2nn(C)cc2Br)c1[N+](=O)[O-] ZINC000393356568 308902534 /nfs/dbraw/zinc/90/25/34/308902534.db2.gz WACWQJRLNPNUNO-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000410739663 308920722 /nfs/dbraw/zinc/92/07/22/308920722.db2.gz JQQGYNMBQYJGJB-KXUCPTDWSA-N 0 0 346.305 3.252 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411581587 308944716 /nfs/dbraw/zinc/94/47/16/308944716.db2.gz JAJKSSCUFKAKBW-WMZOPIPTSA-N 0 0 328.343 3.138 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000412786947 309002651 /nfs/dbraw/zinc/00/26/51/309002651.db2.gz WPIUAVHDZBSDGT-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CC(C)(C)C1 ZINC000412813811 309004148 /nfs/dbraw/zinc/00/41/48/309004148.db2.gz PMZLMVWPVXTOJC-UHFFFAOYSA-N 0 0 336.388 3.019 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000413194105 309020710 /nfs/dbraw/zinc/02/07/10/309020710.db2.gz BFIJJFLLPVHFKJ-WDEREUQCSA-N 0 0 345.321 3.262 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420810235 309295967 /nfs/dbraw/zinc/29/59/67/309295967.db2.gz ZDMBHQUGKMOGTP-RDJZCZTQSA-N 0 0 349.431 3.174 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421452737 309325178 /nfs/dbraw/zinc/32/51/78/309325178.db2.gz OCZGGVDVVUIZDQ-UHFFFAOYSA-N 0 0 326.352 3.423 10 5 EGBERN CN(C(=O)[C@@H]1CC12CC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000421520031 309328157 /nfs/dbraw/zinc/32/81/57/309328157.db2.gz WYRJZZIJPTYBFJ-NSHDSACASA-N 0 0 329.381 3.481 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnc(C)nc1C1CC1 ZINC000421548920 309329345 /nfs/dbraw/zinc/32/93/45/309329345.db2.gz YVDIIWKIRJNSII-UHFFFAOYSA-N 0 0 326.356 3.440 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC12CCSCC2 ZINC000421594007 309331225 /nfs/dbraw/zinc/33/12/25/309331225.db2.gz XODHBIHEQJJLIV-CQSZACIVSA-N 0 0 334.441 3.177 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000422242910 309359072 /nfs/dbraw/zinc/35/90/72/309359072.db2.gz VSNQTKWSGWAEMY-NVXWUHKLSA-N 0 0 349.431 3.472 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H](F)C2)c(C)c([N+](=O)[O-])c1 ZINC000425560284 309486204 /nfs/dbraw/zinc/48/62/04/309486204.db2.gz JGLXULYOWNGCPJ-PWSUYJOCSA-N 0 0 338.335 3.157 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426520077 309508873 /nfs/dbraw/zinc/50/88/73/309508873.db2.gz CCKYQGOXNAFTAL-AJUCZRQESA-N 0 0 329.400 3.241 10 5 EGBERN CC(=O)c1ccsc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000427418735 309528697 /nfs/dbraw/zinc/52/86/97/309528697.db2.gz AUXMXIAWJKARRN-UHFFFAOYSA-N 0 0 333.369 3.218 10 5 EGBERN CC(C)(C)c1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000429710355 309588135 /nfs/dbraw/zinc/58/81/35/309588135.db2.gz VZPXMNHKQKOPPA-UHFFFAOYSA-N 0 0 344.415 3.203 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CNc1ccccc1N(C)C(C)=O ZINC000429797638 309590268 /nfs/dbraw/zinc/59/02/68/309590268.db2.gz XCGCKAZMHXGKSI-UHFFFAOYSA-N 0 0 329.356 3.198 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430813041 309618262 /nfs/dbraw/zinc/61/82/62/309618262.db2.gz HFORDHAWCAOLMN-ZYHUDNBSSA-N 0 0 346.305 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(F)c1F ZINC000431173565 309627252 /nfs/dbraw/zinc/62/72/52/309627252.db2.gz SRKOHBWQICOGNX-UHFFFAOYSA-N 0 0 346.286 3.121 10 5 EGBERN CSC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000431179994 309627333 /nfs/dbraw/zinc/62/73/33/309627333.db2.gz FRNLGIYFCMHPLO-UHFFFAOYSA-N 0 0 345.218 3.500 10 5 EGBERN NC(=O)c1ccc(N2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000432133450 309652922 /nfs/dbraw/zinc/65/29/22/309652922.db2.gz MHWMUAPEGTYXLO-CYBMUJFWSA-N 0 0 345.786 3.341 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](c4cccc(Cl)c4)C3)nn21 ZINC000432134833 309652932 /nfs/dbraw/zinc/65/29/32/309652932.db2.gz WGFLSHBNMVIHJV-GFCCVEGCSA-N 0 0 343.774 3.285 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(CCC2)C[C@@H]1C ZINC000432308692 309656796 /nfs/dbraw/zinc/65/67/96/309656796.db2.gz TWKHSJXBTODMDB-LBPRGKRZSA-N 0 0 338.429 3.110 10 5 EGBERN Cc1nc2ccncc2cc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000432315559 309657123 /nfs/dbraw/zinc/65/71/23/309657123.db2.gz VIOMBTIXVNOAJM-UHFFFAOYSA-N 0 0 325.324 3.304 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cscn3)no2)ccc1NC1CC1 ZINC000432683892 309665981 /nfs/dbraw/zinc/66/59/81/309665981.db2.gz FJWYBKLLWMFPPR-UHFFFAOYSA-N 0 0 329.341 3.343 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434013146 309702806 /nfs/dbraw/zinc/70/28/06/309702806.db2.gz SXZKMQSFFDFCRZ-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC3(CC3)CC2)c1C ZINC000434771546 309719693 /nfs/dbraw/zinc/71/96/93/309719693.db2.gz CEEAMRMZPUXORW-UHFFFAOYSA-N 0 0 338.429 3.213 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000435263062 309728210 /nfs/dbraw/zinc/72/82/10/309728210.db2.gz NQGVJQLCFKWAOD-VIFPVBQESA-N 0 0 339.189 3.396 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc4ccccc4c3O)n2)nc1 ZINC000436941154 309782258 /nfs/dbraw/zinc/78/22/58/309782258.db2.gz CCBKJBABWGAABR-UHFFFAOYSA-N 0 0 348.318 3.489 10 5 EGBERN CO[C@@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000439164710 309827801 /nfs/dbraw/zinc/82/78/01/309827801.db2.gz BVHPTCXYGOAKFW-NWDGAFQWSA-N 0 0 326.780 3.100 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000439924866 309842356 /nfs/dbraw/zinc/84/23/56/309842356.db2.gz AEPHBEUEKQFMJW-LSDHHAIUSA-N 0 0 346.427 3.148 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000440988189 309859753 /nfs/dbraw/zinc/85/97/53/309859753.db2.gz ITFOWNSHAJAOCX-LLVKDONJSA-N 0 0 346.770 3.178 10 5 EGBERN CCc1cnc(N2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000441324088 309868201 /nfs/dbraw/zinc/86/82/01/309868201.db2.gz PKRDYFIKPOTRBY-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000442535877 309882151 /nfs/dbraw/zinc/88/21/51/309882151.db2.gz AOVAFPWYKVRIES-SNVBAGLBSA-N 0 0 334.401 3.369 10 5 EGBERN CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443793980 309908008 /nfs/dbraw/zinc/90/80/08/309908008.db2.gz WLQVVVQTLGINBH-CZUORRHYSA-N 0 0 340.445 3.325 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ncccc2F)c2ccncc21 ZINC000446878757 309969930 /nfs/dbraw/zinc/96/99/30/309969930.db2.gz DMLDUWWZTYHFCY-UHFFFAOYSA-N 0 0 328.303 3.168 10 5 EGBERN COc1cc(C(=O)Nc2cc(C3(C)CCCC3)on2)ccc1[N+](=O)[O-] ZINC000448411751 310003802 /nfs/dbraw/zinc/00/38/02/310003802.db2.gz XAYDRUIIJSWSAT-UHFFFAOYSA-N 0 0 345.355 3.097 10 5 EGBERN COc1ccc(-c2ccc(C[NH2+][C@@H]3COCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000449627370 310075826 /nfs/dbraw/zinc/07/58/26/310075826.db2.gz ZVFREMDCZNOBEA-QGZVFWFLSA-N 0 0 346.383 3.378 10 5 EGBERN Cc1cnc(CCCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000449913303 310093745 /nfs/dbraw/zinc/09/37/45/310093745.db2.gz QYWSXHTXVIHGEV-UHFFFAOYSA-N 0 0 345.399 3.353 10 5 EGBERN CCc1cnc(CCNc2nccc3cc([N+](=O)[O-])ccc32)s1 ZINC000450358020 310117550 /nfs/dbraw/zinc/11/75/50/310117550.db2.gz PNOGNQZYBYLDEO-UHFFFAOYSA-N 0 0 328.397 3.238 10 5 EGBERN COC(=O)Cc1ccc(N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000450384322 310119494 /nfs/dbraw/zinc/11/94/94/310119494.db2.gz AVHPHJLDOKMRBQ-NSHDSACASA-N 0 0 328.315 3.300 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@@H]1CCCC[C@@H]1O ZINC000450393130 310119941 /nfs/dbraw/zinc/11/99/41/310119941.db2.gz OFAJWEJABDADQO-GUYCJALGSA-N 0 0 329.400 3.308 10 5 EGBERN COc1ccccc1CN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])nc1 ZINC000450408961 310120865 /nfs/dbraw/zinc/12/08/65/310120865.db2.gz VHILXYAZBBAZEQ-INIZCTEOSA-N 0 0 343.383 3.184 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000450535836 310128735 /nfs/dbraw/zinc/12/87/35/310128735.db2.gz QAGQIGVVYQGFLK-HDJSIYSDSA-N 0 0 344.419 3.350 10 5 EGBERN CC[C@@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450649918 310135149 /nfs/dbraw/zinc/13/51/49/310135149.db2.gz CIWCXZARQYITTN-UKRRQHHQSA-N 0 0 345.374 3.393 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450657115 310135552 /nfs/dbraw/zinc/13/55/52/310135552.db2.gz KVOKRKWITWLDJB-SUMWQHHRSA-N 0 0 334.322 3.038 10 5 EGBERN COC(=O)c1cc(NC[C@H]2CCOC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000450712763 310138744 /nfs/dbraw/zinc/13/87/44/310138744.db2.gz FIOUCBGRJDNWGT-ZDUSSCGKSA-N 0 0 348.399 3.451 10 5 EGBERN CCCc1ncc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)o1 ZINC000450849874 310145750 /nfs/dbraw/zinc/14/57/50/310145750.db2.gz VXEDKCNRORVZEA-UHFFFAOYSA-N 0 0 330.344 3.032 10 5 EGBERN COC[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000450942333 310151264 /nfs/dbraw/zinc/15/12/64/310151264.db2.gz GWXOLKFLMDBXKL-JTQLQIEISA-N 0 0 344.209 3.005 10 5 EGBERN Cc1nnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C1CC1 ZINC000451548848 310185315 /nfs/dbraw/zinc/18/53/15/310185315.db2.gz OQXRRXQTFZGDBB-HNNXBMFYSA-N 0 0 341.415 3.209 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCOCC34CCCCC4)nc2c1 ZINC000451813458 310198517 /nfs/dbraw/zinc/19/85/17/310198517.db2.gz JARILPGNHRSSQH-UHFFFAOYSA-N 0 0 330.388 3.006 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@](C)(F)C1 ZINC000452198233 310218163 /nfs/dbraw/zinc/21/81/63/310218163.db2.gz UNCYJXCLHKCUSR-MEBBXXQBSA-N 0 0 344.770 3.366 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCc2ccccc21 ZINC000452311409 310222550 /nfs/dbraw/zinc/22/25/50/310222550.db2.gz GLRZRQSOYLRAMX-AWEZNQCLSA-N 0 0 325.368 3.148 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452584336 310233258 /nfs/dbraw/zinc/23/32/58/310233258.db2.gz HMYPBFOGRUWKLL-RCCFBDPRSA-N 0 0 346.427 3.070 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000452585594 310233362 /nfs/dbraw/zinc/23/33/62/310233362.db2.gz JSDISCPJTADSML-UAGQMJEPSA-N 0 0 332.400 3.059 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCCC1(F)F ZINC000452718355 310238624 /nfs/dbraw/zinc/23/86/24/310238624.db2.gz SGUACVFOZYMANG-SECBINFHSA-N 0 0 348.296 3.357 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452903608 310248034 /nfs/dbraw/zinc/24/80/34/310248034.db2.gz UZTDFYRRKCUBCW-YPMHNXCESA-N 0 0 326.418 3.146 10 5 EGBERN CC(C)[C@H](CO)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000452959009 310250728 /nfs/dbraw/zinc/25/07/28/310250728.db2.gz BXWHAARCLKZDRD-RDJZCZTQSA-N 0 0 347.415 3.095 10 5 EGBERN C[C@H](NC(=O)N1CCOC[C@@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000454373471 310306137 /nfs/dbraw/zinc/30/61/37/310306137.db2.gz USNAYGGPKFUULP-GUYCJALGSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccnc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000455228437 310351219 /nfs/dbraw/zinc/35/12/19/310351219.db2.gz VPUKHCGPQKDRHJ-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000456099235 310388453 /nfs/dbraw/zinc/38/84/53/310388453.db2.gz NENORQNOPLLUSY-MOMAJJCNSA-N 0 0 342.395 3.278 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC(C)(C)C2CCC2)cc([N+](=O)[O-])c1 ZINC000456153013 310390846 /nfs/dbraw/zinc/39/08/46/310390846.db2.gz ZEAGCVOQOZRXAE-UHFFFAOYSA-N 0 0 334.372 3.080 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000456413637 310405167 /nfs/dbraw/zinc/40/51/67/310405167.db2.gz ICKDLNSYKKEKEP-GXSJLCMTSA-N 0 0 334.763 3.189 10 5 EGBERN COC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000457082946 310436333 /nfs/dbraw/zinc/43/63/33/310436333.db2.gz MFKPLFYXPJCEBA-QWHCGFSZSA-N 0 0 338.379 3.113 10 5 EGBERN C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000457786439 310472323 /nfs/dbraw/zinc/47/23/23/310472323.db2.gz MRFHGGJMTYXCBK-GFCCVEGCSA-N 0 0 344.415 3.443 10 5 EGBERN CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458145312 310488099 /nfs/dbraw/zinc/48/80/99/310488099.db2.gz UQPOABFIKKEKQG-DOMZBBRYSA-N 0 0 328.315 3.361 10 5 EGBERN CC(=O)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 ZINC000459985408 310578641 /nfs/dbraw/zinc/57/86/41/310578641.db2.gz JIVOIKHDZFUTFM-VIFPVBQESA-N 0 0 330.365 3.450 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000462308846 310598195 /nfs/dbraw/zinc/59/81/95/310598195.db2.gz AQRDYFXBLPOMCF-MWLCHTKSSA-N 0 0 346.836 3.366 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000462954954 310607966 /nfs/dbraw/zinc/60/79/66/310607966.db2.gz SPEJHCNERVGOHX-KKFJDGPESA-N 0 0 343.305 3.035 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471740960 310744992 /nfs/dbraw/zinc/74/49/92/310744992.db2.gz ZCPAWTJYMBNVSJ-MFKMUULPSA-N 0 0 345.321 3.120 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1O ZINC000473517186 310776128 /nfs/dbraw/zinc/77/61/28/310776128.db2.gz HGWRTPPFXCRZPY-CJNGLKHVSA-N 0 0 329.400 3.376 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000479653209 310880504 /nfs/dbraw/zinc/88/05/04/310880504.db2.gz ZUWDMYGIGMGGEF-HAQNSBGRSA-N 0 0 334.372 3.065 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2cc(Cl)cc(Cl)c2)c1=O ZINC000479966401 310886714 /nfs/dbraw/zinc/88/67/14/310886714.db2.gz WUQHKFKWGRTDNU-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN Cc1cc(NCC2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000480498725 310895463 /nfs/dbraw/zinc/89/54/63/310895463.db2.gz KQCSYMDPVXPCKA-UHFFFAOYSA-N 0 0 326.400 3.049 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000484769595 310970006 /nfs/dbraw/zinc/97/00/06/310970006.db2.gz KLXLOZIFKDOMHM-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cn1 ZINC000487089275 311010594 /nfs/dbraw/zinc/01/05/94/311010594.db2.gz SRWKSBSMYRACGH-NSHDSACASA-N 0 0 336.754 3.473 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCc3ccc(F)c(F)c3C2)cc1 ZINC000487166655 311013131 /nfs/dbraw/zinc/01/31/31/311013131.db2.gz PXLOAFQOGOPOEX-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000487900759 311041871 /nfs/dbraw/zinc/04/18/71/311041871.db2.gz VLDRTIRGEOYEDH-MEDUHNTESA-N 0 0 344.415 3.316 10 5 EGBERN CCc1nc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000488949202 311086371 /nfs/dbraw/zinc/08/63/71/311086371.db2.gz ITOATMYBOJZHIX-UHFFFAOYSA-N 0 0 348.428 3.348 10 5 EGBERN C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000490676019 311148750 /nfs/dbraw/zinc/14/87/50/311148750.db2.gz UJVCHJZDVTWNPS-LBPRGKRZSA-N 0 0 339.351 3.210 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000492622215 311272868 /nfs/dbraw/zinc/27/28/68/311272868.db2.gz NKPRSZUDMPRCRD-VVEJJEBESA-N 0 0 328.290 3.409 10 5 EGBERN CCOc1cc(CNc2ccccc2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492694053 311281175 /nfs/dbraw/zinc/28/11/75/311281175.db2.gz BOGLJYVDNMHCRS-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC12CCC2 ZINC000508517916 312095659 /nfs/dbraw/zinc/09/56/59/312095659.db2.gz CEDDIFNXKQJRNF-CYBMUJFWSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000511679733 312166702 /nfs/dbraw/zinc/16/67/02/312166702.db2.gz IQZFEBLVIQGNRW-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514965968 312257421 /nfs/dbraw/zinc/25/74/21/312257421.db2.gz OALBEJCBLMFYGU-WDEREUQCSA-N 0 0 326.343 3.453 10 5 EGBERN COc1ccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000522264732 312584271 /nfs/dbraw/zinc/58/42/71/312584271.db2.gz CGZUARBIHMTILR-LJQANCHMSA-N 0 0 344.411 3.495 10 5 EGBERN CC(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000524448447 312659587 /nfs/dbraw/zinc/65/95/87/312659587.db2.gz UUJQHEFWXQENSO-LLVKDONJSA-N 0 0 332.447 3.103 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC2(C1)CCCCC2 ZINC000525161432 312700294 /nfs/dbraw/zinc/70/02/94/312700294.db2.gz SEFBYXRCNFKAFB-UHFFFAOYSA-N 0 0 346.383 3.162 10 5 EGBERN CC(C)[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000530338174 313520839 /nfs/dbraw/zinc/52/08/39/313520839.db2.gz ORTFESIRVMRPGW-ZDUSSCGKSA-N 0 0 345.321 3.249 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)Cc1cccs1 ZINC000532134335 313758723 /nfs/dbraw/zinc/75/87/23/313758723.db2.gz HUTGDRLHLMQRBH-UHFFFAOYSA-N 0 0 343.364 3.487 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C(F)F ZINC000535569843 314053763 /nfs/dbraw/zinc/05/37/63/314053763.db2.gz ONYBDRILWJRUDQ-UHFFFAOYSA-N 0 0 339.302 3.032 10 5 EGBERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc([N+](=O)[O-])cn1 ZINC000536219843 314100559 /nfs/dbraw/zinc/10/05/59/314100559.db2.gz NNHBVVFXBSLRKB-UHFFFAOYSA-N 0 0 333.254 3.056 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc4ccccc4c3c2)n1 ZINC000536806301 314146515 /nfs/dbraw/zinc/14/65/15/314146515.db2.gz OATIOBMXFCKZHN-UHFFFAOYSA-N 0 0 336.307 3.480 10 5 EGBERN COC(=O)c1ccc(C)c(OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000537602602 314194208 /nfs/dbraw/zinc/19/42/08/314194208.db2.gz QBDNCCFJKFRLLM-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000540435481 314380797 /nfs/dbraw/zinc/38/07/97/314380797.db2.gz RPSHLYWRBPKUQT-QFYYESIMSA-N 0 0 346.770 3.429 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000541315745 314449020 /nfs/dbraw/zinc/44/90/20/314449020.db2.gz PGRROPPDVSFSNF-CYBMUJFWSA-N 0 0 333.388 3.101 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000542303219 314533674 /nfs/dbraw/zinc/53/36/74/314533674.db2.gz JYYBEDILWUQYIL-ACJLOTCBSA-N 0 0 347.415 3.325 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc2c(c1)COC2 ZINC000542538916 314556647 /nfs/dbraw/zinc/55/66/47/314556647.db2.gz VHRZYAOSWOOZCL-LBPRGKRZSA-N 0 0 338.363 3.145 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)cc2C)c1 ZINC000542970622 314596479 /nfs/dbraw/zinc/59/64/79/314596479.db2.gz OPBTWQBSASEZFZ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000548829209 315053150 /nfs/dbraw/zinc/05/31/50/315053150.db2.gz GVNUWVRYIGIZGK-QGZVFWFLSA-N 0 0 349.337 3.092 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(OC)cc(OC)c2C)cc1[N+](=O)[O-] ZINC000548845341 315054629 /nfs/dbraw/zinc/05/46/29/315054629.db2.gz QSAIXFFHVJPKLI-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000548957089 315065080 /nfs/dbraw/zinc/06/50/80/315065080.db2.gz JEMOVBWJRAZXCC-JTQLQIEISA-N 0 0 329.303 3.057 10 5 EGBERN Cc1cccc(C)c1OC[C@@H](O)COc1c(C)cccc1[N+](=O)[O-] ZINC000550976744 315139050 /nfs/dbraw/zinc/13/90/50/315139050.db2.gz GLIDMEIMSATJKV-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cn2ccccc2n1 ZINC000551315351 315150305 /nfs/dbraw/zinc/15/03/05/315150305.db2.gz UIGQZVDKBKAQBW-GFCCVEGCSA-N 0 0 326.356 3.102 10 5 EGBERN CC(C)(C)CC(=O)NCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551332867 315150545 /nfs/dbraw/zinc/15/05/45/315150545.db2.gz QVPWMJVNMUHQKS-UHFFFAOYSA-N 0 0 349.431 3.383 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000551394608 315152653 /nfs/dbraw/zinc/15/26/53/315152653.db2.gz IOJCLFUCJSBCBS-UHFFFAOYSA-N 0 0 334.825 3.270 10 5 EGBERN COc1ccccc1C1(c2noc(-c3ccc([N+](=O)[O-])cn3)n2)CC1 ZINC000551489913 315155907 /nfs/dbraw/zinc/15/59/07/315155907.db2.gz IBTLCTFTTYRWKP-UHFFFAOYSA-N 0 0 338.323 3.128 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000551966128 315183441 /nfs/dbraw/zinc/18/34/41/315183441.db2.gz JOOUHSKHYWRASW-KRWDZBQOSA-N 0 0 335.404 3.271 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000552807399 315233512 /nfs/dbraw/zinc/23/35/12/315233512.db2.gz DGHZFUCLEZAYNO-UHFFFAOYSA-N 0 0 334.416 3.317 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)C[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000553052046 315242612 /nfs/dbraw/zinc/24/26/12/315242612.db2.gz GBXZNSBJAGCJAS-GFCCVEGCSA-N 0 0 343.383 3.325 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2cccc(OC)c2)c1[N+](=O)[O-] ZINC000553245537 315253115 /nfs/dbraw/zinc/25/31/15/315253115.db2.gz ZEQVYVCGXNXYFA-UHFFFAOYSA-N 0 0 334.353 3.245 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(C(F)(F)F)CC1 ZINC000553295115 315255420 /nfs/dbraw/zinc/25/54/20/315255420.db2.gz IFYZNBGBDXRNIX-UHFFFAOYSA-N 0 0 332.278 3.444 10 5 EGBERN C[C@@H]1CC[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553328071 315258182 /nfs/dbraw/zinc/25/81/82/315258182.db2.gz CVEDZSYNDOSCIJ-BXKDBHETSA-N 0 0 334.763 3.005 10 5 EGBERN CCCC[C@H]1CCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553369948 315260223 /nfs/dbraw/zinc/26/02/23/315260223.db2.gz HXUQKHJCXJUKLU-FZMZJTMJSA-N 0 0 330.388 3.436 10 5 EGBERN O=C(CN1CC[C@@](F)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000554582531 315335611 /nfs/dbraw/zinc/33/56/11/315335611.db2.gz FKNQBBZUVREZFY-SFHVURJKSA-N 0 0 343.358 3.104 10 5 EGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@@H](C2CC2)C1 ZINC000554890592 315354969 /nfs/dbraw/zinc/35/49/69/315354969.db2.gz YSTJIIPMXGLBTD-SNVBAGLBSA-N 0 0 328.290 3.486 10 5 EGBERN O=C(Nc1cccc2c1CCO2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555814073 315403649 /nfs/dbraw/zinc/40/36/49/315403649.db2.gz CMVJCSGOXNFSDY-UHFFFAOYSA-N 0 0 339.351 3.120 10 5 EGBERN C[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000558641444 315586737 /nfs/dbraw/zinc/58/67/37/315586737.db2.gz ZSCUJFXMHBXQKB-STQMWFEESA-N 0 0 344.415 3.449 10 5 EGBERN C[C@@H](C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560331113 315674909 /nfs/dbraw/zinc/67/49/09/315674909.db2.gz NRRJOSBJPATTFQ-MBCQDKQCSA-N 0 0 326.396 3.369 10 5 EGBERN CC(C)c1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000561856080 315785164 /nfs/dbraw/zinc/78/51/64/315785164.db2.gz MTKNLVNXYDHSDK-UHFFFAOYSA-N 0 0 342.355 3.160 10 5 EGBERN COC(=O)C(C)(C)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298299 454700451 /nfs/dbraw/zinc/70/04/51/454700451.db2.gz QSKMHCQYVXWPQL-LBPRGKRZSA-N 0 0 326.418 3.068 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC(OC3CCC3)CC1)CCCC2 ZINC000563054331 315950709 /nfs/dbraw/zinc/95/07/09/315950709.db2.gz XMSHMTJCUYZGOC-UHFFFAOYSA-N 0 0 331.416 3.407 10 5 EGBERN Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)c1 ZINC000563745486 316064404 /nfs/dbraw/zinc/06/44/04/316064404.db2.gz PFTMHARXWDSRBI-UHFFFAOYSA-N 0 0 334.322 3.349 10 5 EGBERN COc1cncc(/C=C/CCOc2c(C)c(C)ncc2[N+](=O)[O-])c1 ZINC000563975779 316099095 /nfs/dbraw/zinc/09/90/95/316099095.db2.gz LSKCCTKZZIXJML-GQCTYLIASA-N 0 0 329.356 3.493 10 5 EGBERN CCc1cnc(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)s1 ZINC000564569071 316168505 /nfs/dbraw/zinc/16/85/05/316168505.db2.gz UTUQTXCFFFAYGG-UHFFFAOYSA-N 0 0 332.429 3.249 10 5 EGBERN CC(C)(NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000564638835 316180023 /nfs/dbraw/zinc/18/00/23/316180023.db2.gz GNDCSLCGZUIEMZ-UHFFFAOYSA-N 0 0 344.415 3.497 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717212 316193078 /nfs/dbraw/zinc/19/30/78/316193078.db2.gz OPZWBOSYCWOIQJ-DOMZBBRYSA-N 0 0 346.408 3.360 10 5 EGBERN CNc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000564765818 316199950 /nfs/dbraw/zinc/19/99/50/316199950.db2.gz MOGGGKXKDPOGGM-CQSZACIVSA-N 0 0 341.367 3.199 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000565229627 316295351 /nfs/dbraw/zinc/29/53/51/316295351.db2.gz NDEYDANIEJSWOM-GFCCVEGCSA-N 0 0 338.429 3.460 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(C[S@](C)=O)cc1 ZINC000565314268 316308760 /nfs/dbraw/zinc/30/87/60/316308760.db2.gz QNJLESDZRATOIF-QHCPKHFHSA-N 0 0 334.397 3.094 10 5 EGBERN COC(=O)c1cc(C)nc(N2[C@H](C)C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000566337482 316459217 /nfs/dbraw/zinc/45/92/17/316459217.db2.gz VOBXXGLLYHTEHT-YRGRVCCFSA-N 0 0 333.388 3.242 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000567099630 316567985 /nfs/dbraw/zinc/56/79/85/316567985.db2.gz PXWPMJGDSDDMOX-HOTGVXAUSA-N 0 0 346.427 3.479 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567987511 316705468 /nfs/dbraw/zinc/70/54/68/316705468.db2.gz DVIKKMYUDKBKOW-UHFFFAOYSA-N 0 0 347.371 3.483 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000571851977 317255887 /nfs/dbraw/zinc/25/58/87/317255887.db2.gz VAPHRLASZDTKHN-ZBEGNZNMSA-N 0 0 346.387 3.107 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1F ZINC000572915969 317409305 /nfs/dbraw/zinc/40/93/05/317409305.db2.gz LHVSNZOFFDXRLY-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN Cc1cc(NCC2(CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000235864976 456154610 /nfs/dbraw/zinc/15/46/10/456154610.db2.gz VIHJRBXFWJOXKK-UHFFFAOYSA-N 0 0 329.194 3.240 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000172074442 323268820 /nfs/dbraw/zinc/26/88/20/323268820.db2.gz CPTVKRKLHURYSV-UHFFFAOYSA-N 0 0 326.418 3.042 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000183083037 323593943 /nfs/dbraw/zinc/59/39/43/323593943.db2.gz SFIQDKFOZWFYTH-CQSZACIVSA-N 0 0 336.388 3.069 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000183434860 323615475 /nfs/dbraw/zinc/61/54/75/323615475.db2.gz CWGGCKPGPNKYJH-CYBMUJFWSA-N 0 0 344.367 3.110 10 5 EGBERN COCc1csc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183999461 323637965 /nfs/dbraw/zinc/63/79/65/323637965.db2.gz VZQIGJDZOVBWMK-MRVPVSSYSA-N 0 0 339.348 3.079 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000350613517 324107509 /nfs/dbraw/zinc/10/75/09/324107509.db2.gz XGVVJQBAENNUFB-ONGXEEELSA-N 0 0 328.328 3.266 10 5 EGBERN CCO[C@@H](c1noc(-c2cc([N+](=O)[O-])cnc2C)n1)c1ccccc1 ZINC000351007874 324153704 /nfs/dbraw/zinc/15/37/04/324153704.db2.gz PULLFGUATVWPGZ-OAHLLOKOSA-N 0 0 340.339 3.474 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CC3(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351027166 324155810 /nfs/dbraw/zinc/15/58/10/324155810.db2.gz RFVCLMKNZWPEIW-NSHDSACASA-N 0 0 333.344 3.099 10 5 EGBERN Cc1cnc(CCCc2nc(Cc3ccccc3[N+](=O)[O-])no2)o1 ZINC000351064542 324162354 /nfs/dbraw/zinc/16/23/54/324162354.db2.gz OHCJJIVINPEZOV-UHFFFAOYSA-N 0 0 328.328 3.040 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000311419329 456589269 /nfs/dbraw/zinc/58/92/69/456589269.db2.gz NLXGVQUQZHKDFE-NXEZZACHSA-N 0 0 329.194 3.320 10 5 EGBERN C[C@@H](C(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000576775177 324678724 /nfs/dbraw/zinc/67/87/24/324678724.db2.gz SREWGURWGZIEFF-FZKQIMNGSA-N 0 0 334.416 3.146 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000578713333 325006346 /nfs/dbraw/zinc/00/63/46/325006346.db2.gz YWSPIWJMBOTLTL-UHFFFAOYSA-N 0 0 345.384 3.088 10 5 EGBERN C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)[C@H]1C ZINC000578744966 325012702 /nfs/dbraw/zinc/01/27/02/325012702.db2.gz ZVTKJFXCUZRFSH-AGIUHOORSA-N 0 0 344.415 3.305 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCc1ccc(NC(C)=O)cc1 ZINC000580859466 325302055 /nfs/dbraw/zinc/30/20/55/325302055.db2.gz RDZOUJHJZXHYDM-UHFFFAOYSA-N 0 0 329.356 3.216 10 5 EGBERN C[C@H]1C[C@H]1N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000582952820 325483131 /nfs/dbraw/zinc/48/31/31/325483131.db2.gz GHLFHOQDCBIIKH-SMDDNHRTSA-N 0 0 340.335 3.379 10 5 EGBERN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000173246835 455253470 /nfs/dbraw/zinc/25/34/70/455253470.db2.gz IINRRCGFNKINRR-KBXCAEBGSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000183255825 455262350 /nfs/dbraw/zinc/26/23/50/455262350.db2.gz CHYBBXUZINNXMS-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN COC(=O)c1cnc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000600648160 460558718 /nfs/dbraw/zinc/55/87/18/460558718.db2.gz SLJFPQAGTIWEMK-JTQLQIEISA-N 0 0 333.369 3.166 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000173556307 455305575 /nfs/dbraw/zinc/30/55/75/455305575.db2.gz XHJJNSRLWZZEBB-QGZVFWFLSA-N 0 0 343.383 3.066 10 5 EGBERN C=COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000004510977 452806823 /nfs/dbraw/zinc/80/68/23/452806823.db2.gz AWIKGGROAAAECL-UHFFFAOYSA-N 0 0 329.268 3.278 10 5 EGBERN O=C1CCCC(=O)N1c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000004684531 452812651 /nfs/dbraw/zinc/81/26/51/452812651.db2.gz UBXPFBONJQNNNB-UHFFFAOYSA-N 0 0 345.399 3.409 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000005747265 452900027 /nfs/dbraw/zinc/90/00/27/452900027.db2.gz FBEGCUCKOGNXBT-GFCCVEGCSA-N 0 0 330.340 3.318 10 5 EGBERN CCC(C)(C)[C@H](C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600697258 460570776 /nfs/dbraw/zinc/57/07/76/460570776.db2.gz BUNQAJKOWPDJLN-APPDUMDISA-N 0 0 333.388 3.187 10 5 EGBERN CC1(C)CCC[C@]2(C1)NC(=O)N(CCc1ccccc1[N+](=O)[O-])C2=O ZINC000600692649 460571325 /nfs/dbraw/zinc/57/13/25/460571325.db2.gz CQFGTLKIOCZJBC-GOSISDBHSA-N 0 0 345.399 3.028 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)CSC)c1cccc([N+](=O)[O-])c1 ZINC000181458108 455337982 /nfs/dbraw/zinc/33/79/82/455337982.db2.gz SZIBTVJHKOLOBY-GXTWGEPZSA-N 0 0 325.434 3.487 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccsc2)c1C ZINC000007927119 453133845 /nfs/dbraw/zinc/13/38/45/453133845.db2.gz NZKRDQPWRCSZPY-UHFFFAOYSA-N 0 0 333.413 3.344 10 5 EGBERN COc1ccc(OC)c([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000008376294 453199268 /nfs/dbraw/zinc/19/92/68/453199268.db2.gz GMIYPNCLYSZGIZ-SECBINFHSA-N 0 0 348.384 3.494 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600756199 460591246 /nfs/dbraw/zinc/59/12/46/460591246.db2.gz FSVGZJKCEMQUIH-KSSFIOAISA-N 0 0 340.383 3.185 10 5 EGBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC2(CC2)CC1 ZINC000600769201 460595891 /nfs/dbraw/zinc/59/58/91/460595891.db2.gz QSYMDTLIEJVFLF-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC ZINC000014969811 453549282 /nfs/dbraw/zinc/54/92/82/453549282.db2.gz NVINUNQBDNEMSY-UHFFFAOYSA-N 0 0 334.379 3.426 10 5 in-vivo EGBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000016086496 453592971 /nfs/dbraw/zinc/59/29/71/453592971.db2.gz SPUIWFQIPMKHSQ-SNVBAGLBSA-N 0 0 340.788 3.288 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000017916226 453640598 /nfs/dbraw/zinc/64/05/98/453640598.db2.gz GDWTXCSKBQKERI-SNVBAGLBSA-N 0 0 346.314 3.012 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)cn1 ZINC000600815204 460613360 /nfs/dbraw/zinc/61/33/60/460613360.db2.gz YTVNOWPRYDQNNU-KRWDZBQOSA-N 0 0 341.367 3.188 10 5 EGBERN Cc1nn([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000021549796 453677271 /nfs/dbraw/zinc/67/72/71/453677271.db2.gz DHAPHSQHKFZVAG-HNNXBMFYSA-N 0 0 344.415 3.406 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025913742 453789161 /nfs/dbraw/zinc/78/91/61/453789161.db2.gz JDAVUKPSMUQOIW-UHFFFAOYSA-N 0 0 329.287 3.007 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000066851610 453880278 /nfs/dbraw/zinc/88/02/78/453880278.db2.gz YCZFCTMFGIHRBH-HNAYVOBHSA-N 0 0 342.395 3.436 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000053542051 453885940 /nfs/dbraw/zinc/88/59/40/453885940.db2.gz JLIGIRYFPIIZQH-GFCCVEGCSA-N 0 0 344.371 3.088 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000053550484 453887163 /nfs/dbraw/zinc/88/71/63/453887163.db2.gz IOUUEZOOZYRDEF-VIFPVBQESA-N 0 0 335.310 3.406 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000067515571 453937951 /nfs/dbraw/zinc/93/79/51/453937951.db2.gz QTUZFKNIUBGYPC-ZWKOTPCHSA-N 0 0 348.362 3.066 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(-c2cccnc2)no1 ZINC000054610819 453938031 /nfs/dbraw/zinc/93/80/31/453938031.db2.gz RFLAXRSNFLURLF-LBPRGKRZSA-N 0 0 339.355 3.233 10 5 EGBERN C[C@H](c1cc(F)ccc1F)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000040153825 453948040 /nfs/dbraw/zinc/94/80/40/453948040.db2.gz RFCRHEWGLDLJMC-SECBINFHSA-N 0 0 349.341 3.435 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000076061196 453955789 /nfs/dbraw/zinc/95/57/89/453955789.db2.gz PHCJLDLKAWHTSS-HNNXBMFYSA-N 0 0 341.415 3.417 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067875485 453975646 /nfs/dbraw/zinc/97/56/46/453975646.db2.gz SHYDRNKBWQODGF-SNVBAGLBSA-N 0 0 334.401 3.283 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1 ZINC000041817255 453979886 /nfs/dbraw/zinc/97/98/86/453979886.db2.gz YVRFYPOPHRRCJW-UHFFFAOYSA-N 0 0 347.718 3.416 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)cc(F)c21 ZINC000055432009 453985032 /nfs/dbraw/zinc/98/50/32/453985032.db2.gz NPXIDHHTTVIBKZ-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2cccnc2)cc1[N+](=O)[O-] ZINC000084808152 454011218 /nfs/dbraw/zinc/01/12/18/454011218.db2.gz ROOJMHSRODNWFF-QWHCGFSZSA-N 0 0 330.340 3.370 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(-n3ccnc3)c2)c(Cl)c1 ZINC000068320676 454016622 /nfs/dbraw/zinc/01/66/22/454016622.db2.gz CFYHODURYMJISR-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1nccc(CNC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000055839830 454018513 /nfs/dbraw/zinc/01/85/13/454018513.db2.gz HGIFDGOXCKNHBR-UHFFFAOYSA-N 0 0 328.375 3.416 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2c1cccc2F ZINC000087175421 454068461 /nfs/dbraw/zinc/06/84/61/454068461.db2.gz TZERBYXVEHSGBQ-QGZVFWFLSA-N 0 0 328.343 3.470 10 5 EGBERN Cc1c(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000069097696 454079277 /nfs/dbraw/zinc/07/92/77/454079277.db2.gz YBKKLUMMIFOSLT-LBPRGKRZSA-N 0 0 342.355 3.052 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000077294815 454086967 /nfs/dbraw/zinc/08/69/67/454086967.db2.gz QQAFCOGSIGAYNL-MRXNPFEDSA-N 0 0 326.352 3.384 10 5 EGBERN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000077327050 454092250 /nfs/dbraw/zinc/09/22/50/454092250.db2.gz MJPRWOTWVJGUDK-ZWNOBZJWSA-N 0 0 331.397 3.024 10 5 EGBERN C[C@@H](CC[C@H]1CCCO1)NC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000069415819 454102491 /nfs/dbraw/zinc/10/24/91/454102491.db2.gz FSAGSSRDFNASKU-XJKSGUPXSA-N 0 0 349.431 3.249 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000045144330 454142149 /nfs/dbraw/zinc/14/21/49/454142149.db2.gz WMGLGDXVXWPBRP-UHFFFAOYSA-N 0 0 337.332 3.315 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2ccc(F)cc2)c1 ZINC000058281184 454178314 /nfs/dbraw/zinc/17/83/14/454178314.db2.gz PHBIQKJRQPMOOU-INIZCTEOSA-N 0 0 327.315 3.331 10 5 EGBERN CCc1nn(C)c(NCCCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000094152023 454190235 /nfs/dbraw/zinc/19/02/35/454190235.db2.gz JXVGQDHFYCLAER-UHFFFAOYSA-N 0 0 332.404 3.300 10 5 EGBERN COCCn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000095427573 454210013 /nfs/dbraw/zinc/21/00/13/454210013.db2.gz JCMJJLCSICCZJT-UHFFFAOYSA-N 0 0 342.355 3.310 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2ccccc2C)cc1[N+](=O)[O-] ZINC000078231495 454213083 /nfs/dbraw/zinc/21/30/83/454213083.db2.gz ZUPOEBNZDAWEFV-NSHDSACASA-N 0 0 334.397 3.470 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000130841203 454221560 /nfs/dbraw/zinc/22/15/60/454221560.db2.gz FOXBJUHXTPGMAT-GFCCVEGCSA-N 0 0 331.347 3.332 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000078459255 454256585 /nfs/dbraw/zinc/25/65/85/454256585.db2.gz PEDFUEMUFBBSDZ-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000131504379 454259230 /nfs/dbraw/zinc/25/92/30/454259230.db2.gz NZJAOJDFPYCYLU-CYBMUJFWSA-N 0 0 337.759 3.375 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1O ZINC000612449043 460631465 /nfs/dbraw/zinc/63/14/65/460631465.db2.gz AJAZTKXJNNCROY-ZBFHGGJFSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000120451446 454304375 /nfs/dbraw/zinc/30/43/75/454304375.db2.gz VZFZFDVDCCGMSL-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN CC[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090466986 454309016 /nfs/dbraw/zinc/30/90/16/454309016.db2.gz CJZLYJUEWCQSPK-AWEZNQCLSA-N 0 0 328.324 3.205 10 5 EGBERN CC[C@H](NC(=O)NCCCOCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090518466 454315230 /nfs/dbraw/zinc/31/52/30/454315230.db2.gz DNHFUXIWLIYJAK-INIZCTEOSA-N 0 0 337.420 3.408 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000090586000 454324096 /nfs/dbraw/zinc/32/40/96/454324096.db2.gz GJPGSMQCFMTGTH-BZNIZROVSA-N 0 0 345.403 3.148 10 5 EGBERN COc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000090635081 454331157 /nfs/dbraw/zinc/33/11/57/454331157.db2.gz LIRUAMKHONLZPT-UHFFFAOYSA-N 0 0 332.331 3.408 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000090687269 454335641 /nfs/dbraw/zinc/33/56/41/454335641.db2.gz IEMXNNBKXSTYPG-INIZCTEOSA-N 0 0 328.372 3.283 10 5 EGBERN C[C@H](Sc1nnnn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078952870 454344216 /nfs/dbraw/zinc/34/42/16/454344216.db2.gz CVHAVFRENXKOHV-LBPRGKRZSA-N 0 0 341.396 3.483 10 5 EGBERN CCCCN([C@H](C)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000079030775 454357660 /nfs/dbraw/zinc/35/76/60/454357660.db2.gz PQXKDMZRAICJQD-GFCCVEGCSA-N 0 0 344.433 3.193 10 5 EGBERN CCn1cc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000120895942 454361684 /nfs/dbraw/zinc/36/16/84/454361684.db2.gz AGVYAQYRLABPRI-UHFFFAOYSA-N 0 0 343.387 3.223 10 5 EGBERN Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121318707 454419982 /nfs/dbraw/zinc/41/99/82/454419982.db2.gz MGEOJLKLIAUGSF-AWEZNQCLSA-N 0 0 327.384 3.217 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000091477776 454440110 /nfs/dbraw/zinc/44/01/10/454440110.db2.gz MXKWYJXLWRUDLU-OAHLLOKOSA-N 0 0 327.388 3.254 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2cccc(O)c2)CC1 ZINC000121625438 454458983 /nfs/dbraw/zinc/45/89/83/454458983.db2.gz HFYOFFIZUCUWPD-GQCTYLIASA-N 0 0 339.395 3.136 10 5 EGBERN Cc1cc(NCCc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048291097 454468526 /nfs/dbraw/zinc/46/85/26/454468526.db2.gz ZXWDJBPXNOOBJT-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3ccccc3)CCC2)s1 ZINC000064245276 454469041 /nfs/dbraw/zinc/46/90/41/454469041.db2.gz HKMSDNPESIVNQT-UHFFFAOYSA-N 0 0 338.410 3.014 10 5 EGBERN Cc1ncc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000079730570 454471844 /nfs/dbraw/zinc/47/18/44/454471844.db2.gz MXRSZHSZWAYJMK-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133938805 454484475 /nfs/dbraw/zinc/48/44/75/454484475.db2.gz GHNBXHOPEYNIEM-MNOVXSKESA-N 0 0 333.294 3.319 10 5 EGBERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000101843290 454486036 /nfs/dbraw/zinc/48/60/36/454486036.db2.gz FCYAEPUUAQZOLI-UHFFFAOYSA-N 0 0 339.311 3.103 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000121907848 454491882 /nfs/dbraw/zinc/49/18/82/454491882.db2.gz ZHNONFWQIBLFIO-UHFFFAOYSA-N 0 0 334.416 3.175 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000134034917 454495306 /nfs/dbraw/zinc/49/53/06/454495306.db2.gz MIQXXFXJEBYTRG-SECBINFHSA-N 0 0 336.373 3.023 10 5 EGBERN Cc1nn(C)c(NCc2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000048625923 454502673 /nfs/dbraw/zinc/50/26/73/454502673.db2.gz VYQJCGWBCYAGHT-UHFFFAOYSA-N 0 0 343.156 3.150 10 5 EGBERN CSCCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122330382 454524551 /nfs/dbraw/zinc/52/45/51/454524551.db2.gz QEWHACVZAKKRSO-UHFFFAOYSA-N 0 0 337.445 3.412 10 5 EGBERN Cc1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc([N+](=O)[O-])c1 ZINC000122432668 454532870 /nfs/dbraw/zinc/53/28/70/454532870.db2.gz PMGDHFGUXWPXDM-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000134471602 454547175 /nfs/dbraw/zinc/54/71/75/454547175.db2.gz ZRERQSYRYDWKSH-HIFRSBDPSA-N 0 0 328.372 3.005 10 5 EGBERN COc1ccccc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377838 454552096 /nfs/dbraw/zinc/55/20/96/454552096.db2.gz LSEVTIRTFNUDGG-LBPRGKRZSA-N 0 0 326.352 3.124 10 5 EGBERN COc1cc(OC)cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377479 454552329 /nfs/dbraw/zinc/55/23/29/454552329.db2.gz YOJDXWOOTFRGON-NSHDSACASA-N 0 0 342.351 3.203 10 5 EGBERN Cc1nc2sc3c(c2c(-n2ccc([N+](=O)[O-])n2)n1)CCCCC3 ZINC000050931393 454601610 /nfs/dbraw/zinc/60/16/10/454601610.db2.gz SFBVVKCOPKCVLA-UHFFFAOYSA-N 0 0 329.385 3.363 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000092658683 454603929 /nfs/dbraw/zinc/60/39/29/454603929.db2.gz DZMYLDKKBAZRNG-CQSZACIVSA-N 0 0 328.324 3.186 10 5 EGBERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000065621329 454606800 /nfs/dbraw/zinc/60/68/00/454606800.db2.gz DIKVVTMTWFMUEO-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092686732 454610878 /nfs/dbraw/zinc/61/08/78/454610878.db2.gz HULBGZMKQBPZGP-GHMZBOCLSA-N 0 0 343.330 3.042 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCc2ccccc2C1 ZINC000065718963 454613707 /nfs/dbraw/zinc/61/37/07/454613707.db2.gz VTNKDQTUZQCIBV-QGZVFWFLSA-N 0 0 349.390 3.223 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000134970988 454618619 /nfs/dbraw/zinc/61/86/19/454618619.db2.gz AGENGCMWOMYRDT-QGZVFWFLSA-N 0 0 325.368 3.049 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000080756766 454628919 /nfs/dbraw/zinc/62/89/19/454628919.db2.gz NQEBLFSIJYPHRM-SECBINFHSA-N 0 0 338.360 3.301 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000081010537 454669662 /nfs/dbraw/zinc/66/96/62/454669662.db2.gz GWFMJMAGBQFONP-HNNXBMFYSA-N 0 0 341.411 3.179 10 5 EGBERN CCOc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000106261082 454688959 /nfs/dbraw/zinc/68/89/59/454688959.db2.gz SJXOTPYQLUOZIG-UHFFFAOYSA-N 0 0 347.346 3.132 10 5 EGBERN O=C(Nc1ccc(F)c(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124022715 454694234 /nfs/dbraw/zinc/69/42/34/454694234.db2.gz ATSKNBJFJCBIHE-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000152705432 454715364 /nfs/dbraw/zinc/71/53/64/454715364.db2.gz LAYTYKFAOPPBFL-CABCVRRESA-N 0 0 340.335 3.108 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000124326734 454718813 /nfs/dbraw/zinc/71/88/13/454718813.db2.gz UZUBJLJYUOOQSY-CYBMUJFWSA-N 0 0 340.445 3.403 10 5 EGBERN C[C@H](NC(=O)c1ccc(-c2ncon2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000107118030 454742852 /nfs/dbraw/zinc/74/28/52/454742852.db2.gz DGMBFFJZZNLLLK-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153793072 454833659 /nfs/dbraw/zinc/83/36/59/454833659.db2.gz ZFIKQDKUMBQMCC-LBPRGKRZSA-N 0 0 339.461 3.029 10 5 EGBERN CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125666810 454837566 /nfs/dbraw/zinc/83/75/66/454837566.db2.gz AWBCWOWHLSYXGU-MRXNPFEDSA-N 0 0 340.445 3.405 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000144160243 454846552 /nfs/dbraw/zinc/84/65/52/454846552.db2.gz COMPOEJFDISFPE-AWEZNQCLSA-N 0 0 348.399 3.422 10 5 EGBERN CC(C)(C)c1cnc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000266877212 455466972 /nfs/dbraw/zinc/46/69/72/455466972.db2.gz BHPUWROUGQAAMC-UHFFFAOYSA-N 0 0 342.355 3.292 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCOc1ccc(Cl)cn1 ZINC000154052893 454861094 /nfs/dbraw/zinc/86/10/94/454861094.db2.gz GCSXWCYZAZOHDR-UHFFFAOYSA-N 0 0 329.143 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000177614299 454884360 /nfs/dbraw/zinc/88/43/60/454884360.db2.gz PCDVOFBWOQCVFR-HZPDHXFCSA-N 0 0 330.384 3.267 10 5 EGBERN COc1cc(NCCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000154493201 454901176 /nfs/dbraw/zinc/90/11/76/454901176.db2.gz GSLGTBRMXLFDPJ-IAQYHMDHSA-N 0 0 326.368 3.486 10 5 EGBERN Cc1c(Br)c(N[C@@H](C)[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165721590 454903411 /nfs/dbraw/zinc/90/34/11/454903411.db2.gz ASYXVUPMMNIRHF-WCBMZHEXSA-N 0 0 330.182 3.040 10 5 EGBERN CCn1nc(C)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154759958 454927610 /nfs/dbraw/zinc/92/76/10/454927610.db2.gz IFHVPERFTWPCNV-UHFFFAOYSA-N 0 0 330.388 3.170 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000151152229 454945593 /nfs/dbraw/zinc/94/55/93/454945593.db2.gz TXQOVTKMBSZPDV-CYBMUJFWSA-N 0 0 338.429 3.351 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000151246793 454958378 /nfs/dbraw/zinc/95/83/78/454958378.db2.gz QUHRIPJCPUKLQD-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1c(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000155053293 454958499 /nfs/dbraw/zinc/95/84/99/454958499.db2.gz IDQHTNQNWLWIHT-GFCCVEGCSA-N 0 0 328.368 3.312 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000170947748 455004375 /nfs/dbraw/zinc/00/43/75/455004375.db2.gz PYABJIFZDLOYHM-IAGOWNOFSA-N 0 0 326.352 3.023 10 5 EGBERN CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115230401 455006708 /nfs/dbraw/zinc/00/67/08/455006708.db2.gz ZMQXCERZMDEQLX-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1c(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000151651111 455012251 /nfs/dbraw/zinc/01/22/51/455012251.db2.gz NWRCCBRMLPAUTI-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116002077 455038294 /nfs/dbraw/zinc/03/82/94/455038294.db2.gz GHXPEZBUEJYUMA-ZIAGYGMSSA-N 0 0 346.333 3.335 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128308891 455044426 /nfs/dbraw/zinc/04/44/26/455044426.db2.gz LBWWIBCCMRDATL-NEPJUHHUSA-N 0 0 331.338 3.224 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(F)c(Br)c2)c1=O ZINC000155814807 455048854 /nfs/dbraw/zinc/04/88/54/455048854.db2.gz JAWKQDUDGVIRLJ-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN COc1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1 ZINC000171312167 455061218 /nfs/dbraw/zinc/06/12/18/455061218.db2.gz XWDIGRSPWPSCGQ-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000128550631 455066986 /nfs/dbraw/zinc/06/69/86/455066986.db2.gz SAGZHIZBTGGHPW-INIZCTEOSA-N 0 0 343.358 3.207 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccnc1 ZINC000152212533 455087554 /nfs/dbraw/zinc/08/75/54/455087554.db2.gz SRFHSFABUJFIDQ-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000156536399 455129283 /nfs/dbraw/zinc/12/92/83/455129283.db2.gz GTGWRJJMBGHEIG-NSHDSACASA-N 0 0 329.360 3.084 10 5 EGBERN CN(Cc1ccccc1F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129840258 455129411 /nfs/dbraw/zinc/12/94/11/455129411.db2.gz CZOQWKYURRTVSU-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN Cc1c(CC(=O)N[C@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000129855211 455130029 /nfs/dbraw/zinc/13/00/29/455130029.db2.gz JVOODOXBTUZFDF-CZUORRHYSA-N 0 0 340.379 3.127 10 5 EGBERN Cc1c(Br)cc(C(=O)N(C)CC2CC2)cc1[N+](=O)[O-] ZINC000119202142 455132367 /nfs/dbraw/zinc/13/23/67/455132367.db2.gz MGVUTVAVOBHKOE-UHFFFAOYSA-N 0 0 327.178 3.148 10 5 EGBERN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000172183622 455132620 /nfs/dbraw/zinc/13/26/20/455132620.db2.gz VVBOALSQORVMKT-UHFFFAOYSA-N 0 0 348.380 3.029 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000612573252 460665735 /nfs/dbraw/zinc/66/57/35/460665735.db2.gz OBAHMOZJJRTGEX-OAHLLOKOSA-N 0 0 333.775 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000172742663 455180712 /nfs/dbraw/zinc/18/07/12/455180712.db2.gz VCDNNICZFSEEKC-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172954090 455213479 /nfs/dbraw/zinc/21/34/79/455213479.db2.gz ABGGMXHZCNWMQD-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000173458647 455286458 /nfs/dbraw/zinc/28/64/58/455286458.db2.gz AGKJLWFURNWMPT-ZDUSSCGKSA-N 0 0 344.371 3.387 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000183549437 455304800 /nfs/dbraw/zinc/30/48/00/455304800.db2.gz NOUKYXULNWGVLM-CQSZACIVSA-N 0 0 344.346 3.368 10 5 EGBERN CC(C)N(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000184131744 455355441 /nfs/dbraw/zinc/35/54/41/455355441.db2.gz HHFLECRKCPBETD-LBPRGKRZSA-N 0 0 338.379 3.253 10 5 EGBERN CC(C)OC(=O)C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492408 455389228 /nfs/dbraw/zinc/38/92/28/455389228.db2.gz ZSTQCCVODHFQKS-GFCCVEGCSA-N 0 0 326.418 3.210 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC000174494727 455397450 /nfs/dbraw/zinc/39/74/50/455397450.db2.gz DJLIAHXXHQQQHP-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000246042107 455416949 /nfs/dbraw/zinc/41/69/49/455416949.db2.gz BJIZEOFZCTZYGL-IINYFYTJSA-N 0 0 338.410 3.038 10 5 EGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040369 455422052 /nfs/dbraw/zinc/42/20/52/455422052.db2.gz CARHLUVHXSRPRS-GFCCVEGCSA-N 0 0 341.346 3.165 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1O)CCCC2 ZINC000185041976 455490917 /nfs/dbraw/zinc/49/09/17/455490917.db2.gz VFKDMAOYWGKSFF-UHFFFAOYSA-N 0 0 340.379 3.451 10 5 EGBERN CN(Cc1ccccn1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601003932 460671462 /nfs/dbraw/zinc/67/14/62/460671462.db2.gz ODRAZHKCZHQTRS-UHFFFAOYSA-N 0 0 325.368 3.070 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185378283 455550451 /nfs/dbraw/zinc/55/04/51/455550451.db2.gz PKTAUFZRGPAIBI-CYBMUJFWSA-N 0 0 330.388 3.204 10 5 EGBERN Cc1sc(C(=O)N2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000192273042 455585432 /nfs/dbraw/zinc/58/54/32/455585432.db2.gz MWIXJANUFRGNNK-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1ncoc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000292329263 455630558 /nfs/dbraw/zinc/63/05/58/455630558.db2.gz WUXJXKGZHJNTFZ-UHFFFAOYSA-N 0 0 345.355 3.239 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000271454469 455642287 /nfs/dbraw/zinc/64/22/87/455642287.db2.gz WCOOGZGHEBCFEP-AWEZNQCLSA-N 0 0 348.790 3.253 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000192624773 455655360 /nfs/dbraw/zinc/65/53/60/455655360.db2.gz RXJQFFQEPAJAFH-ABAIWWIYSA-N 0 0 348.378 3.225 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186024081 455677781 /nfs/dbraw/zinc/67/77/81/455677781.db2.gz OXPDUFOVLGMFCZ-JTQLQIEISA-N 0 0 330.306 3.499 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000192806562 455697183 /nfs/dbraw/zinc/69/71/83/455697183.db2.gz KRENMHQYDCVIBJ-LBPRGKRZSA-N 0 0 347.371 3.184 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2ncnc3c2ncn3C2CC2)c1 ZINC000292634894 455717184 /nfs/dbraw/zinc/71/71/84/455717184.db2.gz FMLATQHHXBYOQV-UHFFFAOYSA-N 0 0 344.762 3.335 10 5 EGBERN O=[N+]([O-])c1cnn(CCN2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000292747282 455746085 /nfs/dbraw/zinc/74/60/85/455746085.db2.gz NRBWADOHIAGZSE-CYBMUJFWSA-N 0 0 340.305 3.348 10 5 EGBERN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271859322 455790364 /nfs/dbraw/zinc/79/03/64/455790364.db2.gz YICNAPWMONUXRB-UONOGXRCSA-N 0 0 348.424 3.108 10 5 EGBERN O=C(COC1CCCC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000272125648 455852711 /nfs/dbraw/zinc/85/27/11/455852711.db2.gz KNJMVTCNRFKLHY-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000280163774 455906741 /nfs/dbraw/zinc/90/67/41/455906741.db2.gz FHNSNNRYKAKTMO-UHFFFAOYSA-N 0 0 327.344 3.185 10 5 EGBERN CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280178569 455910138 /nfs/dbraw/zinc/91/01/38/455910138.db2.gz HSNSXGSPVMEPGO-OAHLLOKOSA-N 0 0 326.780 3.023 10 5 EGBERN Cn1cccc1[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195490961 455967787 /nfs/dbraw/zinc/96/77/87/455967787.db2.gz AKGOYFPLWIVSTM-KRWDZBQOSA-N 0 0 338.367 3.392 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000286091285 455976016 /nfs/dbraw/zinc/97/60/16/455976016.db2.gz DXIGMVPOTXZRDN-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN COCC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccco1 ZINC000272540354 455987464 /nfs/dbraw/zinc/98/74/64/455987464.db2.gz RRVCGTAGFORTNR-CQSZACIVSA-N 0 0 348.355 3.473 10 5 EGBERN CCn1ccnc1[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296749895 456027965 /nfs/dbraw/zinc/02/79/65/456027965.db2.gz KJVUXLWHIPXKIT-OAHLLOKOSA-N 0 0 340.387 3.419 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000217215033 456032136 /nfs/dbraw/zinc/03/21/36/456032136.db2.gz ACDHWJHVRIBNEV-PXAZEXFGSA-N 0 0 346.408 3.115 10 5 EGBERN CCCCNC(=O)c1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601105233 460711963 /nfs/dbraw/zinc/71/19/63/460711963.db2.gz WBBREAMXYQAKMI-UHFFFAOYSA-N 0 0 346.362 3.271 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 ZINC000601100125 460709322 /nfs/dbraw/zinc/70/93/22/460709322.db2.gz METZRRATFLMMGL-LURJTMIESA-N 0 0 346.231 3.126 10 5 EGBERN COc1cccc2c1OC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000301299457 456084712 /nfs/dbraw/zinc/08/47/12/456084712.db2.gz ZYBCSTOBOIQQSM-SNVBAGLBSA-N 0 0 335.747 3.067 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1c1cccnc1 ZINC000601101483 460710838 /nfs/dbraw/zinc/71/08/38/460710838.db2.gz SHWUNTUEBLXOMR-JTQLQIEISA-N 0 0 341.293 3.084 10 5 EGBERN NC(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301485694 456127728 /nfs/dbraw/zinc/12/77/28/456127728.db2.gz WXURHNDHYIEIAA-BDAKNGLRSA-N 0 0 331.294 3.070 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000188814177 456143767 /nfs/dbraw/zinc/14/37/67/456143767.db2.gz SOXFKVNFSKDWOV-LBPRGKRZSA-N 0 0 344.371 3.498 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188821204 456145189 /nfs/dbraw/zinc/14/51/89/456145189.db2.gz WMGDDIOESQGKMB-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN COc1cc(N2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000301625549 456166089 /nfs/dbraw/zinc/16/60/89/456166089.db2.gz PWIFCXHNTJCXHJ-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN CCOC(=O)c1sc([C@H](C)Nc2ncccc2[N+](=O)[O-])nc1C ZINC000301625798 456167940 /nfs/dbraw/zinc/16/79/40/456167940.db2.gz ZSNQEUSADXGGDG-VIFPVBQESA-N 0 0 336.373 3.105 10 5 EGBERN Cc1nc(N2CCC(Oc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301630452 456169182 /nfs/dbraw/zinc/16/91/82/456169182.db2.gz CIBLTLZCIQPPME-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c(C)cccc23)c1 ZINC000301719722 456197128 /nfs/dbraw/zinc/19/71/28/456197128.db2.gz ZHVCHFUNEFVFMB-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN C[C@@H]1c2ccccc2CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601124647 460719478 /nfs/dbraw/zinc/71/94/78/460719478.db2.gz ICKFUOJOGNCXNE-SECBINFHSA-N 0 0 340.305 3.471 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)c2ccc(F)cc2)c1 ZINC000301835391 456228631 /nfs/dbraw/zinc/22/86/31/456228631.db2.gz LEMLKQPPBBGQPV-INIZCTEOSA-N 0 0 338.310 3.201 10 5 EGBERN Cc1nc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903507 456247424 /nfs/dbraw/zinc/24/74/24/456247424.db2.gz OYBMHBZWTSVIBX-YOEHRIQHSA-N 0 0 348.353 3.434 10 5 EGBERN CCS[C@@H]1CCC[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126009 460721310 /nfs/dbraw/zinc/72/13/10/460721310.db2.gz TYFGUSFHWXFSPV-HTQZYQBOSA-N 0 0 338.355 3.433 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCc3cccc4ccccc43)nn21 ZINC000301930258 456253253 /nfs/dbraw/zinc/25/32/53/456253253.db2.gz OCKWISIOVUSVKU-UHFFFAOYSA-N 0 0 333.351 3.445 10 5 EGBERN COc1ccc(C(=O)C2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000340152006 456283059 /nfs/dbraw/zinc/28/30/59/456283059.db2.gz HNOXVCWSCLISQU-UHFFFAOYSA-N 0 0 341.367 3.098 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)c2ncc(C)s2)c1 ZINC000302117564 456293028 /nfs/dbraw/zinc/29/30/28/456293028.db2.gz DKOTVQAPFGWXKQ-VIFPVBQESA-N 0 0 335.385 3.362 10 5 EGBERN C[C@@H]1COCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342898527 456301326 /nfs/dbraw/zinc/30/13/26/456301326.db2.gz BLCNSGZAOJJRQA-ZJUUUORDSA-N 0 0 346.305 3.016 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2cc(F)ccc2C1 ZINC000601136923 460726987 /nfs/dbraw/zinc/72/69/87/460726987.db2.gz MUJGCYSEENRTLS-UHFFFAOYSA-N 0 0 344.268 3.049 10 5 EGBERN COC(=O)c1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)o1 ZINC000302711406 456381377 /nfs/dbraw/zinc/38/13/77/456381377.db2.gz KUXMKRLKQSZWDB-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN O=C(NC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000302789908 456401675 /nfs/dbraw/zinc/40/16/75/456401675.db2.gz FSNUWMFVEPHEPK-UHFFFAOYSA-N 0 0 349.406 3.399 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000302792021 456402989 /nfs/dbraw/zinc/40/29/89/456402989.db2.gz YUPJTPYSCSGBDV-LBPRGKRZSA-N 0 0 338.772 3.189 10 5 EGBERN Cc1ncsc1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290712141 456412737 /nfs/dbraw/zinc/41/27/37/456412737.db2.gz UAOFAASPNFCPQQ-SNVBAGLBSA-N 0 0 326.399 3.036 10 5 EGBERN COc1cccc2c1CCN(c1cccc(OC)c1[N+](=O)[O-])CC2 ZINC000302861433 456419217 /nfs/dbraw/zinc/41/92/17/456419217.db2.gz PVRKHVHNZTUPQG-UHFFFAOYSA-N 0 0 328.368 3.217 10 5 EGBERN CCCN(C(=O)c1nnn(C(C)C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000298540563 456484884 /nfs/dbraw/zinc/48/48/84/456484884.db2.gz CRUAJRILIQACLY-UHFFFAOYSA-N 0 0 331.376 3.132 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000298508664 456476232 /nfs/dbraw/zinc/47/62/32/456476232.db2.gz NVPYARZMZBHTSG-UHFFFAOYSA-N 0 0 339.351 3.208 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](c1ccccc1)C(F)(F)F ZINC000343283955 456506782 /nfs/dbraw/zinc/50/67/82/456506782.db2.gz UJYNQADIDOIXIN-ZDUSSCGKSA-N 0 0 341.289 3.309 10 5 EGBERN C[C@@H]1CC[C@H](c2ccccc2)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291059969 456513543 /nfs/dbraw/zinc/51/35/43/456513543.db2.gz FNKRMKBOQFZPAP-IUODEOHRSA-N 0 0 340.383 3.066 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000340561906 456532887 /nfs/dbraw/zinc/53/28/87/456532887.db2.gz AWQWPYVZHJANQH-CQSZACIVSA-N 0 0 338.363 3.223 10 5 EGBERN CC(C)c1nnc(CNc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000340604611 456565116 /nfs/dbraw/zinc/56/51/16/456565116.db2.gz BSNIZKDWOCLCCS-UHFFFAOYSA-N 0 0 341.165 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CCC2)c(Br)c1 ZINC000343433570 456618506 /nfs/dbraw/zinc/61/85/06/456618506.db2.gz ZLSLAZYASQUZGA-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN COc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1Cl ZINC000340683010 456621983 /nfs/dbraw/zinc/62/19/83/456621983.db2.gz OKQZQCDRTMRATG-UHFFFAOYSA-N 0 0 349.734 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000338009980 456653994 /nfs/dbraw/zinc/65/39/94/456653994.db2.gz HBJATJNEEFEUQX-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)cc3F)no2)n1 ZINC000340743572 456662146 /nfs/dbraw/zinc/66/21/46/456662146.db2.gz SRKPYEHNCCCSEC-UHFFFAOYSA-N 0 0 337.698 3.321 10 5 EGBERN C[C@H]1c2ccccc2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000340845864 456713788 /nfs/dbraw/zinc/71/37/88/456713788.db2.gz JVODJMOSNMAYSW-LBPRGKRZSA-N 0 0 332.381 3.001 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343601290 456735366 /nfs/dbraw/zinc/73/53/66/456735366.db2.gz FONMCAFBMICTEV-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000299599825 456740965 /nfs/dbraw/zinc/74/09/65/456740965.db2.gz GYKBGOHFPOAVSA-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1ccncc1[N+](=O)[O-] ZINC000340898316 456747770 /nfs/dbraw/zinc/74/77/70/456747770.db2.gz HGCFXCJIBXGKTJ-OAHLLOKOSA-N 0 0 332.381 3.175 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000340909020 456754760 /nfs/dbraw/zinc/75/47/60/456754760.db2.gz ALPLJWBWSCASAU-UHFFFAOYSA-N 0 0 339.376 3.444 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000348627551 456786026 /nfs/dbraw/zinc/78/60/26/456786026.db2.gz PTWKTHFKGATISC-PXAZEXFGSA-N 0 0 325.368 3.328 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000344097811 456796735 /nfs/dbraw/zinc/79/67/35/456796735.db2.gz WISXSIYVIKICTC-WCBMZHEXSA-N 0 0 347.293 3.408 10 5 EGBERN CC[C@@H](C)Oc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301108141 456797718 /nfs/dbraw/zinc/79/77/18/456797718.db2.gz RBAMFISYCLSLBP-SNVBAGLBSA-N 0 0 330.344 3.010 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000283564017 456804066 /nfs/dbraw/zinc/80/40/66/456804066.db2.gz PYQXCTXBSAPBGU-JOAULVNJSA-N 0 0 343.177 3.109 10 5 EGBERN COc1ccccc1CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301159946 456810259 /nfs/dbraw/zinc/81/02/59/456810259.db2.gz HBYFGBROOGSBMZ-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCC3(CC3)CC2)s1 ZINC000277456149 456831530 /nfs/dbraw/zinc/83/15/30/456831530.db2.gz OPDMPVFCDKGZHW-UHFFFAOYSA-N 0 0 330.431 3.195 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277463631 456834556 /nfs/dbraw/zinc/83/45/56/456834556.db2.gz PJERNOGGHLHFQY-LBPRGKRZSA-N 0 0 330.306 3.328 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341327698 456848997 /nfs/dbraw/zinc/84/89/97/456848997.db2.gz UKJOFWDPXQIFSM-SJLPKXTDSA-N 0 0 344.342 3.203 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1COC ZINC000341658702 456887956 /nfs/dbraw/zinc/88/79/56/456887956.db2.gz BHWSFSZUTRJYCN-UHFFFAOYSA-N 0 0 336.369 3.454 10 5 EGBERN COC(=O)c1cc(N(C)CCc2ncc(C)s2)cc(C)c1[N+](=O)[O-] ZINC000339053947 456917423 /nfs/dbraw/zinc/91/74/23/456917423.db2.gz GWXSARIPZWOMID-UHFFFAOYSA-N 0 0 349.412 3.134 10 5 EGBERN C[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000341771784 456936519 /nfs/dbraw/zinc/93/65/19/456936519.db2.gz MCFCFUCQLOYRKW-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000362608249 457003445 /nfs/dbraw/zinc/00/34/45/457003445.db2.gz YMLPIHLREMGVCV-UHFFFAOYSA-N 0 0 346.314 3.043 10 5 EGBERN Cc1cn2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc2n1 ZINC000341929683 457008086 /nfs/dbraw/zinc/00/80/86/457008086.db2.gz KLLCNMADJRVCBN-UHFFFAOYSA-N 0 0 346.293 3.010 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)c2ccccc2Cl)n1 ZINC000359086576 457051246 /nfs/dbraw/zinc/05/12/46/457051246.db2.gz VQPUPMNGDNLFOQ-UHFFFAOYSA-N 0 0 348.790 3.102 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC(F)F)cc2[N+](=O)[O-])C1 ZINC000330567543 457056464 /nfs/dbraw/zinc/05/64/64/457056464.db2.gz HBVKCNOJBHMZKO-LLVKDONJSA-N 0 0 341.358 3.168 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2c1c(F)ccc2F ZINC000354092152 457056689 /nfs/dbraw/zinc/05/66/89/457056689.db2.gz NFRYZWVCJDUULO-UHFFFAOYSA-N 0 0 347.321 3.264 10 5 EGBERN CC(=O)N1CCc2cc(Nc3nc(C)cc(C)c3[N+](=O)[O-])ccc21 ZINC000359107454 457056925 /nfs/dbraw/zinc/05/69/25/457056925.db2.gz JVQQWOCMWCEAHJ-UHFFFAOYSA-N 0 0 326.356 3.259 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cc(Cl)ccc2C)no1 ZINC000356594280 457073632 /nfs/dbraw/zinc/07/36/32/457073632.db2.gz HUNVYHBVESDFDM-UHFFFAOYSA-N 0 0 333.735 3.160 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000342060911 457085895 /nfs/dbraw/zinc/08/58/95/457085895.db2.gz KVNULLOIUKTHDE-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000354173464 457108914 /nfs/dbraw/zinc/10/89/14/457108914.db2.gz IYBCIBFAKZFCQM-LBPRGKRZSA-N 0 0 343.383 3.153 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000349931272 457111617 /nfs/dbraw/zinc/11/16/17/457111617.db2.gz ARZAFGCWARHFKQ-MRXNPFEDSA-N 0 0 340.379 3.451 10 5 EGBERN NC(=O)C1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000354218517 457137433 /nfs/dbraw/zinc/13/74/33/457137433.db2.gz NYCXGBJOEMMRFE-UHFFFAOYSA-N 0 0 347.418 3.162 10 5 EGBERN CCc1cnccc1[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362982308 457183338 /nfs/dbraw/zinc/18/33/38/457183338.db2.gz KAIPDNSRQHHELB-SNVBAGLBSA-N 0 0 349.337 3.250 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347112247 457235961 /nfs/dbraw/zinc/23/59/61/457235961.db2.gz QZEYLYXIFOMPSI-ORAYPTAESA-N 0 0 339.395 3.447 10 5 EGBERN COCc1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000360151199 457276535 /nfs/dbraw/zinc/27/65/35/457276535.db2.gz WRPFPQLBEZVBOH-UHFFFAOYSA-N 0 0 330.340 3.140 10 5 EGBERN C[C@@H]1CCCc2ncc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)n21 ZINC000351412873 457282469 /nfs/dbraw/zinc/28/24/69/457282469.db2.gz NOOCKODJYVADAS-LLVKDONJSA-N 0 0 339.355 3.329 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000360442535 457311784 /nfs/dbraw/zinc/31/17/84/457311784.db2.gz KBPXRGWSPQCIIW-GWCFXTLKSA-N 0 0 326.418 3.021 10 5 EGBERN CC1(C)CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000340096548 457331035 /nfs/dbraw/zinc/33/10/35/457331035.db2.gz YLOWDIHDUWHJPZ-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN O=C(CC[C@@H]1CCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347290104 457333084 /nfs/dbraw/zinc/33/30/84/457333084.db2.gz MCBHYFBFBNSOAV-LBPRGKRZSA-N 0 0 343.177 3.255 10 5 EGBERN COC(=O)c1c(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1F ZINC000357180943 457361835 /nfs/dbraw/zinc/36/18/35/457361835.db2.gz CFYMBJNBNFGOIF-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424997762 457399711 /nfs/dbraw/zinc/39/97/11/457399711.db2.gz JYIOHPWUQPZCEZ-WMZOPIPTSA-N 0 0 344.342 3.117 10 5 EGBERN COC(=O)c1c(F)ccc(NCc2csc([N+](=O)[O-])c2)c1F ZINC000357275533 457415814 /nfs/dbraw/zinc/41/58/14/457415814.db2.gz HPBDBGVBKZJBST-UHFFFAOYSA-N 0 0 328.296 3.333 10 5 EGBERN Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975193 457422487 /nfs/dbraw/zinc/42/24/87/457422487.db2.gz GYIKEXKZJVIZNE-VKJFTORMSA-N 0 0 334.416 3.062 10 5 EGBERN COC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352524534 457438930 /nfs/dbraw/zinc/43/89/30/457438930.db2.gz BSPPUQVZHAASLN-UHFFFAOYSA-N 0 0 344.367 3.022 10 5 EGBERN C[C@@H](Oc1ccccc1F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357326157 457447259 /nfs/dbraw/zinc/44/72/59/457447259.db2.gz FADXPDCTNOLRPI-SNVBAGLBSA-N 0 0 344.302 3.243 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccc4)on3)n2)nc1 ZINC000357329739 457450295 /nfs/dbraw/zinc/45/02/95/457450295.db2.gz FDWSTZXYDAANBR-UHFFFAOYSA-N 0 0 349.306 3.286 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCCc1ccc(OC)c(OC)c1 ZINC000360948872 457456248 /nfs/dbraw/zinc/45/62/48/457456248.db2.gz DXSLVPZJQHZPSF-UHFFFAOYSA-N 0 0 348.403 3.182 10 5 EGBERN CO[C@@H](C)CN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347562595 457509199 /nfs/dbraw/zinc/50/91/99/457509199.db2.gz GIOXFJWQYURALC-RYUDHWBXSA-N 0 0 326.368 3.109 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000347605487 457545389 /nfs/dbraw/zinc/54/53/89/457545389.db2.gz AKNRZXPYKAVYHH-UKRRQHHQSA-N 0 0 331.416 3.456 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H]1C ZINC000361059127 457553248 /nfs/dbraw/zinc/55/32/48/457553248.db2.gz DWFOFYGHQGHNNZ-OLZOCXBDSA-N 0 0 325.368 3.499 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cn2cnc3ccccc32)no1 ZINC000357477601 457553575 /nfs/dbraw/zinc/55/35/75/457553575.db2.gz BGVALWBCONUIFP-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000342857779 457559698 /nfs/dbraw/zinc/55/96/98/457559698.db2.gz ZRTFMBOTGDZTFO-UHFFFAOYSA-N 0 0 343.368 3.326 10 5 EGBERN C[C@H]1C[C@@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCO1 ZINC000357488969 457560989 /nfs/dbraw/zinc/56/09/89/457560989.db2.gz SQEZJYUJHMBHHA-QWRGUYRKSA-N 0 0 342.355 3.332 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC3(C)CC3)cc2[N+](=O)[O-])C1 ZINC000357507470 457570448 /nfs/dbraw/zinc/57/04/48/457570448.db2.gz JWDPZDYFOZBXIM-CYBMUJFWSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1cc(N2CCC[C@@]3(C2)OCc2ccccc23)ncc1[N+](=O)[O-] ZINC000364347346 457571611 /nfs/dbraw/zinc/57/16/11/457571611.db2.gz NQRHAFWCGOKBOB-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN CC(C)[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000409540269 457605148 /nfs/dbraw/zinc/60/51/48/457605148.db2.gz ACTGNXWPHOAQHH-INIZCTEOSA-N 0 0 329.335 3.008 10 5 EGBERN COc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000410379802 457639438 /nfs/dbraw/zinc/63/94/38/457639438.db2.gz GRCRHXOTJKRSRV-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374796465 457709183 /nfs/dbraw/zinc/70/91/83/457709183.db2.gz VIGZXHJRBLMTLD-CQSZACIVSA-N 0 0 349.362 3.130 10 5 EGBERN CC(C)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000357907041 457729951 /nfs/dbraw/zinc/72/99/51/457729951.db2.gz GZGRLCIHTIJVKV-CYBMUJFWSA-N 0 0 336.779 3.109 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC1(C)C ZINC000411023970 457779591 /nfs/dbraw/zinc/77/95/91/457779591.db2.gz ARILTFGDLNJWIY-AWEZNQCLSA-N 0 0 338.429 3.394 10 5 EGBERN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c(C(F)(F)F)n1 ZINC000426229117 457791026 /nfs/dbraw/zinc/79/10/26/457791026.db2.gz YGVRQFPADRRQLV-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cn(C)nc1C(C)(C)C ZINC000426267603 457798342 /nfs/dbraw/zinc/79/83/42/457798342.db2.gz PMVYSXJOHMCNHD-LLVKDONJSA-N 0 0 342.399 3.217 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCC2CCCC2)c1 ZINC000443777055 457810789 /nfs/dbraw/zinc/81/07/89/457810789.db2.gz FBIDYEPSYYEXBB-UHFFFAOYSA-N 0 0 340.445 3.375 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426520079 457847033 /nfs/dbraw/zinc/84/70/33/457847033.db2.gz CCKYQGOXNAFTAL-MKTAYPAQSA-N 0 0 329.400 3.241 10 5 EGBERN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000358260015 457894694 /nfs/dbraw/zinc/89/46/94/457894694.db2.gz UOZLYVHXHRENDE-AWEZNQCLSA-N 0 0 338.367 3.281 10 5 EGBERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000458261173 457990989 /nfs/dbraw/zinc/99/09/89/457990989.db2.gz CKAMVSRAGDMAGM-ZDUSSCGKSA-N 0 0 346.358 3.202 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000427620666 458009597 /nfs/dbraw/zinc/00/95/97/458009597.db2.gz JFSZKHMYKGFMNV-LBPRGKRZSA-N 0 0 344.367 3.060 10 5 EGBERN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000362043168 458022338 /nfs/dbraw/zinc/02/23/38/458022338.db2.gz GKLZAISZJFHQHI-VIFPVBQESA-N 0 0 342.138 3.093 10 5 EGBERN C[C@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[S@@](C)=O ZINC000362157098 458035578 /nfs/dbraw/zinc/03/55/78/458035578.db2.gz OPNNESMFWDWEGE-YEBMWUKDSA-N 0 0 340.448 3.275 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000434762997 458047365 /nfs/dbraw/zinc/04/73/65/458047365.db2.gz CSZLDCRTGJNRNG-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1c2ccccc2oc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000445487377 458057565 /nfs/dbraw/zinc/05/75/65/458057565.db2.gz ANIRAXGLEOOBDL-UHFFFAOYSA-N 0 0 325.284 3.100 10 5 EGBERN C[C@@H](OCCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 ZINC000427983580 458060643 /nfs/dbraw/zinc/06/06/43/458060643.db2.gz LROREDMTYZGYHZ-CYBMUJFWSA-N 0 0 340.383 3.473 10 5 EGBERN C/C(=C\c1ccc(F)cc1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445579771 458065576 /nfs/dbraw/zinc/06/55/76/458065576.db2.gz QCDXYTGPNGPENB-VQHVLOKHSA-N 0 0 329.291 3.078 10 5 EGBERN Cc1cnc([C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000428245903 458106286 /nfs/dbraw/zinc/10/62/86/458106286.db2.gz XMJIIHSKNOEJRQ-AWEZNQCLSA-N 0 0 342.399 3.298 10 5 EGBERN CCOc1cc(C(=O)N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000435271151 458112111 /nfs/dbraw/zinc/11/21/11/458112111.db2.gz WQNRWOCUWHVNPX-NSHDSACASA-N 0 0 334.372 3.040 10 5 EGBERN CCn1c(-c2ccoc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000358661735 458137186 /nfs/dbraw/zinc/13/71/86/458137186.db2.gz IGGRBNKGNCIYLS-UHFFFAOYSA-N 0 0 341.371 3.145 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2nnc(C3CCC3)[nH]2)ccc1[N+](=O)[O-] ZINC000412243921 458141865 /nfs/dbraw/zinc/14/18/65/458141865.db2.gz FVQIDSGFSNYCJJ-UHFFFAOYSA-N 0 0 345.359 3.020 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412271886 458150162 /nfs/dbraw/zinc/15/01/62/458150162.db2.gz PKMVWUJYFCSVLJ-FHLIZLRMSA-N 0 0 346.427 3.364 10 5 EGBERN CSc1cccc(C(=O)N[C@@H](C)c2cncc(F)c2)c1[N+](=O)[O-] ZINC000362418526 458164509 /nfs/dbraw/zinc/16/45/09/458164509.db2.gz MLYPMAGRFARCLT-VIFPVBQESA-N 0 0 335.360 3.342 10 5 EGBERN CC1(C)CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000369572176 458271975 /nfs/dbraw/zinc/27/19/75/458271975.db2.gz WOBKUMAOLNIXLX-UHFFFAOYSA-N 0 0 349.435 3.107 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000436640579 458350106 /nfs/dbraw/zinc/35/01/06/458350106.db2.gz XRSPKNFXNBYOKG-CQSZACIVSA-N 0 0 330.340 3.190 10 5 EGBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000373652554 458565710 /nfs/dbraw/zinc/56/57/10/458565710.db2.gz FRSDOSCKBKDIKP-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000493884288 458595674 /nfs/dbraw/zinc/59/56/74/458595674.db2.gz XNNSLMQSNUFFIZ-GXFFZTMASA-N 0 0 326.418 3.021 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000373773434 458598361 /nfs/dbraw/zinc/59/83/61/458598361.db2.gz ZLWDVSMCDAAYQU-OAHLLOKOSA-N 0 0 344.371 3.352 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2nccc(C)n2)CC1 ZINC000373773304 458598616 /nfs/dbraw/zinc/59/86/16/458598616.db2.gz UAMXJMSBMLQJHP-UHFFFAOYSA-N 0 0 342.399 3.081 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000462404595 458617838 /nfs/dbraw/zinc/61/78/38/458617838.db2.gz YQUBGEUBECSCTR-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432325666 458715600 /nfs/dbraw/zinc/71/56/00/458715600.db2.gz LVJPVYPGIXBVTI-SNVBAGLBSA-N 0 0 326.780 3.416 10 5 EGBERN Cc1nc([C@@](C)(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000432475370 458743964 /nfs/dbraw/zinc/74/39/64/458743964.db2.gz GLNHLNDGYFNALB-INIZCTEOSA-N 0 0 345.359 3.042 10 5 EGBERN Cc1nc([C@](C)(NC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000432734930 458777860 /nfs/dbraw/zinc/77/78/60/458777860.db2.gz ZHBSPUDANMNNCM-MRXNPFEDSA-N 0 0 345.359 3.042 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464881351 458788752 /nfs/dbraw/zinc/78/87/52/458788752.db2.gz SOLSBXRRPURQPH-INIZCTEOSA-N 0 0 347.390 3.412 10 5 EGBERN COc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1C ZINC000548147966 458845162 /nfs/dbraw/zinc/84/51/62/458845162.db2.gz XDYCTQHDLOLKLI-UHFFFAOYSA-N 0 0 345.384 3.073 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465869920 458858128 /nfs/dbraw/zinc/85/81/28/458858128.db2.gz FWXBPTNEOHUGMY-UGSOOPFHSA-N 0 0 339.395 3.370 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457344498 458926832 /nfs/dbraw/zinc/92/68/32/458926832.db2.gz OTXJCLKPAWNUGU-UHFFFAOYSA-N 0 0 341.205 3.475 10 5 EGBERN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531626988 458948358 /nfs/dbraw/zinc/94/83/58/458948358.db2.gz VOGAHJOAGCOPFM-UHFFFAOYSA-N 0 0 347.330 3.473 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475613140 458954370 /nfs/dbraw/zinc/95/43/70/458954370.db2.gz AIVHMUCSTRMLMD-XKSYAXFZSA-N 0 0 346.427 3.268 10 5 EGBERN [NH3+][C@@H](CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CC1CCCCC1 ZINC000577104255 458980802 /nfs/dbraw/zinc/98/08/02/458980802.db2.gz RYSTULDLLSGGCR-ZDUSSCGKSA-N 0 0 335.404 3.317 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000441955508 458985582 /nfs/dbraw/zinc/98/55/82/458985582.db2.gz NDQJGMKWCHASEN-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577224204 459001548 /nfs/dbraw/zinc/00/15/48/459001548.db2.gz URMGPFAWCIWODG-ZDUSSCGKSA-N 0 0 335.404 3.278 10 5 EGBERN COC(=O)c1cc(C)nc(NCc2c(C)cc(C)cc2C)c1[N+](=O)[O-] ZINC000567133058 459052350 /nfs/dbraw/zinc/05/23/50/459052350.db2.gz OMNVAZOLQBPHAQ-UHFFFAOYSA-N 0 0 343.383 3.044 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1C[C@@H]1CCC3(CCCC3)O1)CCCC2 ZINC000567351396 459091562 /nfs/dbraw/zinc/09/15/62/459091562.db2.gz MBWJDVDGMZNWNU-AWEZNQCLSA-N 0 0 332.400 3.127 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CC3)[C@@H]3CCCCO3)c21 ZINC000594590719 459100466 /nfs/dbraw/zinc/10/04/66/459100466.db2.gz NMZNHSNOGCORIJ-HOCLYGCPSA-N 0 0 328.372 3.298 10 5 EGBERN Nc1c(F)c(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594601104 459106023 /nfs/dbraw/zinc/10/60/23/459106023.db2.gz JDOOKJCCMIJTOX-XVKPBYJWSA-N 0 0 337.273 3.228 10 5 EGBERN C[C@@]12CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000590404418 459124966 /nfs/dbraw/zinc/12/49/66/459124966.db2.gz YIRJXQLJAWXKMG-GXFFZTMASA-N 0 0 330.718 3.366 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 ZINC000590424608 459128757 /nfs/dbraw/zinc/12/87/57/459128757.db2.gz AUIWAJKBMWDRJB-UHFFFAOYSA-N 0 0 340.326 3.458 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cncs1 ZINC000594685995 459129558 /nfs/dbraw/zinc/12/95/58/459129558.db2.gz LQBUTFPEYPWXMD-JTQLQIEISA-N 0 0 326.399 3.036 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)Cc3ccccc32)n1 ZINC000590431130 459129804 /nfs/dbraw/zinc/12/98/04/459129804.db2.gz ZYQYMELBNFVYMZ-UHFFFAOYSA-N 0 0 328.372 3.040 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000594734153 459145369 /nfs/dbraw/zinc/14/53/69/459145369.db2.gz QQVVTYLWSRLTNB-KKUMJFAQSA-N 0 0 348.399 3.069 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2cc(OC)c(OC)cc2C1 ZINC000558311072 459145954 /nfs/dbraw/zinc/14/59/54/459145954.db2.gz MNBMMBPCTSMPIX-UHFFFAOYSA-N 0 0 344.367 3.183 10 5 EGBERN Cc1nc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000578450487 459204372 /nfs/dbraw/zinc/20/43/72/459204372.db2.gz CBGNJFMEXCHMFM-HNNXBMFYSA-N 0 0 348.790 3.193 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000558904409 459221723 /nfs/dbraw/zinc/22/17/23/459221723.db2.gz WLADABQIAQNDAP-UHFFFAOYSA-N 0 0 348.786 3.294 10 5 EGBERN C[C@H](C(=O)N1CC[C@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000559494804 459263386 /nfs/dbraw/zinc/26/33/86/459263386.db2.gz ACXGKFBAEXQONT-WDEREUQCSA-N 0 0 330.306 3.499 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296753 459271085 /nfs/dbraw/zinc/27/10/85/459271085.db2.gz IUBXSRQPRBLGGL-OAHLLOKOSA-N 0 0 331.372 3.409 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCc1csc(N2CCCC2)n1 ZINC000568663665 459325950 /nfs/dbraw/zinc/32/59/50/459325950.db2.gz DTTJMNPLYXNHPB-UHFFFAOYSA-N 0 0 348.428 3.315 10 5 EGBERN C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000534450891 459326682 /nfs/dbraw/zinc/32/66/82/459326682.db2.gz VWYIBAWEXKTBRD-MWLCHTKSSA-N 0 0 328.315 3.362 10 5 EGBERN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000595521008 459333485 /nfs/dbraw/zinc/33/34/85/459333485.db2.gz VEIRWXTVIVKIAM-LBPRGKRZSA-N 0 0 348.428 3.434 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595549657 459344425 /nfs/dbraw/zinc/34/44/25/459344425.db2.gz UQZYPIJCCCKOMS-TZMCWYRMSA-N 0 0 335.404 3.079 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](COc2ccccc2)C1 ZINC000483444596 459371956 /nfs/dbraw/zinc/37/19/56/459371956.db2.gz VYUNJMOSBKWHPN-IBGZPJMESA-N 0 0 342.395 3.183 10 5 EGBERN CS[C@H](C)CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582509731 459377070 /nfs/dbraw/zinc/37/70/70/459377070.db2.gz DLLDMMZFFKWFML-LLVKDONJSA-N 0 0 335.429 3.267 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000591513804 459394325 /nfs/dbraw/zinc/39/43/25/459394325.db2.gz DNJAJHCSEZXBRN-MFKMUULPSA-N 0 0 346.305 3.003 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525040860 459411859 /nfs/dbraw/zinc/41/18/59/459411859.db2.gz BWRPJZRMBSCVMX-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN CC(C)(C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618844 459474195 /nfs/dbraw/zinc/47/41/95/459474195.db2.gz PVPPHFFEAZJRBV-DZGCQCFKSA-N 0 0 326.824 3.477 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595890242 459476967 /nfs/dbraw/zinc/47/69/67/459476967.db2.gz DPMXGBPAUYUHTE-GXFFZTMASA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891884 459478493 /nfs/dbraw/zinc/47/84/93/459478493.db2.gz QKCJLTBSRQBHGL-RISCZKNCSA-N 0 0 332.322 3.179 10 5 EGBERN CCc1cc(C)c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)o1 ZINC000485985716 459482508 /nfs/dbraw/zinc/48/25/08/459482508.db2.gz BVXVPYCYFJYFBY-UHFFFAOYSA-N 0 0 346.339 3.406 10 5 EGBERN Cc1cc(F)ccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561770824 459483184 /nfs/dbraw/zinc/48/31/84/459483184.db2.gz RFWJKHFZSZWJCS-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN C[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])CC(F)F ZINC000591961427 459498265 /nfs/dbraw/zinc/49/82/65/459498265.db2.gz HUCYPYQPMZPNCR-LBPRGKRZSA-N 0 0 343.374 3.130 10 5 EGBERN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])CC(F)F ZINC000591963563 459499440 /nfs/dbraw/zinc/49/94/40/459499440.db2.gz HQOOHRAEMAHXNH-SECBINFHSA-N 0 0 327.331 3.190 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000596051938 459502893 /nfs/dbraw/zinc/50/28/93/459502893.db2.gz TWDZBTQEEIPRAG-UHFFFAOYSA-N 0 0 338.363 3.414 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCOC(C)C)ccc1[N+](=O)[O-] ZINC000596056467 459504030 /nfs/dbraw/zinc/50/40/30/459504030.db2.gz VXVPOOGQNPMMIU-UHFFFAOYSA-N 0 0 330.768 3.262 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000486498214 459506343 /nfs/dbraw/zinc/50/63/43/459506343.db2.gz WDTKOVANXJTHHV-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN COc1cc(NCc2cccnc2N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596073049 459509654 /nfs/dbraw/zinc/50/96/54/459509654.db2.gz DNMALYKZHPIIDM-UHFFFAOYSA-N 0 0 336.779 3.330 10 5 EGBERN C[C@H](C1CC1)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562273023 459527367 /nfs/dbraw/zinc/52/73/67/459527367.db2.gz WRRKJAFUXWHXTB-LLVKDONJSA-N 0 0 330.388 3.059 10 5 EGBERN O=[N+]([O-])c1cc(NCC[C@H](O)C(F)(F)F)ccc1C(F)(F)F ZINC000596125191 459530019 /nfs/dbraw/zinc/53/00/19/459530019.db2.gz MAPPHQHLNUQURG-VIFPVBQESA-N 0 0 332.200 3.339 10 5 EGBERN COC(=O)c1ccc(OCCc2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000542213750 459534959 /nfs/dbraw/zinc/53/49/59/459534959.db2.gz YIIZPIQQXCPVQB-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN COc1cc(N2CCC3(C2)CCOCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596144584 459535749 /nfs/dbraw/zinc/53/57/49/459535749.db2.gz KCIMETBZMNXFKP-UHFFFAOYSA-N 0 0 326.780 3.264 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccc(F)c1 ZINC000596151671 459538291 /nfs/dbraw/zinc/53/82/91/459538291.db2.gz ISMQIWSELUADIA-GTNSWQLSSA-N 0 0 343.358 3.420 10 5 EGBERN COc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596183668 459551397 /nfs/dbraw/zinc/55/13/97/459551397.db2.gz YPHBBCWQHWVJGX-BONVTDFDSA-N 0 0 342.779 3.007 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596183663 459551971 /nfs/dbraw/zinc/55/19/71/459551971.db2.gz YPHBBCWQHWVJGX-BMIGLBTASA-N 0 0 342.779 3.007 10 5 EGBERN COc1cc(NCCc2ccc(CO)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000596186263 459554352 /nfs/dbraw/zinc/55/43/52/459554352.db2.gz PEVZRYVIPDPTIN-UHFFFAOYSA-N 0 0 336.775 3.404 10 5 EGBERN C[C@H](C(=O)NCCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000562400703 459554616 /nfs/dbraw/zinc/55/46/16/459554616.db2.gz GRTRDWUJJOPDPA-JJRVBVJISA-N 0 0 334.416 3.146 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195389 459557644 /nfs/dbraw/zinc/55/76/44/459557644.db2.gz NARIABGSTUSURC-JTQLQIEISA-N 0 0 345.403 3.127 10 5 EGBERN COc1cc(NCc2ncccc2N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596239194 459571354 /nfs/dbraw/zinc/57/13/54/459571354.db2.gz ZDRZINAZMVVIPB-UHFFFAOYSA-N 0 0 336.779 3.330 10 5 EGBERN Cc1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)nn1[C@@H](C)C1CC1 ZINC000542554644 459571922 /nfs/dbraw/zinc/57/19/22/459571922.db2.gz AUIFFZATJQJXEM-NSHDSACASA-N 0 0 338.371 3.179 10 5 EGBERN COc1cc(NCCO[C@H]2CCCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596242555 459573405 /nfs/dbraw/zinc/57/34/05/459573405.db2.gz XBZBRLIVVCBEKX-AWEZNQCLSA-N 0 0 330.768 3.212 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000596277327 459581612 /nfs/dbraw/zinc/58/16/12/459581612.db2.gz KAIDKAYCRXKUOU-UHFFFAOYSA-N 0 0 342.779 3.142 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289746 459586089 /nfs/dbraw/zinc/58/60/89/459586089.db2.gz GCOJQDOJKCKNCM-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccnnc2)cc1OC ZINC000596292897 459586931 /nfs/dbraw/zinc/58/69/31/459586931.db2.gz MMZYUJFFRUOJQB-GFCCVEGCSA-N 0 0 347.371 3.397 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@@H]1CCCOC1 ZINC000596294371 459588166 /nfs/dbraw/zinc/58/81/66/459588166.db2.gz ZHELFTPGZDMDPA-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000596318609 459594151 /nfs/dbraw/zinc/59/41/51/459594151.db2.gz OZLFBSQLCGZFMN-NOZJJQNGSA-N 0 0 334.294 3.077 10 5 EGBERN CC[C@@H](COCC1CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596326799 459597237 /nfs/dbraw/zinc/59/72/37/459597237.db2.gz LVJCHADASZBNJE-JTQLQIEISA-N 0 0 344.209 3.369 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596361488 459607276 /nfs/dbraw/zinc/60/72/76/459607276.db2.gz SVRIVGBUSLBRSC-WPKBUWHJSA-N 0 0 345.399 3.121 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCC(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000596427771 459633321 /nfs/dbraw/zinc/63/33/21/459633321.db2.gz OLLKQAUHUHNHFI-UHFFFAOYSA-N 0 0 338.429 3.015 10 5 EGBERN NC(=O)c1cc(N2CC3(CCCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596435694 459635890 /nfs/dbraw/zinc/63/58/90/459635890.db2.gz GDEPPCZMHBGDQE-INIZCTEOSA-N 0 0 341.367 3.408 10 5 EGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000596448431 459639677 /nfs/dbraw/zinc/63/96/77/459639677.db2.gz ZKMOGQJGDSUDAQ-RKDXNWHRSA-N 0 0 327.178 3.019 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCCO[C@@H]1CC1(F)F ZINC000596446974 459640017 /nfs/dbraw/zinc/64/00/17/459640017.db2.gz JOPJJHVPBJSTBQ-SECBINFHSA-N 0 0 337.120 3.193 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000596453663 459642098 /nfs/dbraw/zinc/64/20/98/459642098.db2.gz JPQCGAGEJXGGPV-COXVUDFISA-N 0 0 349.431 3.238 10 5 EGBERN CC(=O)c1ccc(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000596486538 459653502 /nfs/dbraw/zinc/65/35/02/459653502.db2.gz MLQGXXVSFFMMKI-CVEARBPZSA-N 0 0 342.399 3.354 10 5 EGBERN COC(=O)C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000596494423 459656275 /nfs/dbraw/zinc/65/62/75/459656275.db2.gz YTXCKHAGRHZXFC-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN Cc1cncc(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000596497659 459656977 /nfs/dbraw/zinc/65/69/77/459656977.db2.gz AXNTYCYNRONKED-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN NC(=O)c1cc(NC2CCC3(CC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC000596502724 459659334 /nfs/dbraw/zinc/65/93/34/459659334.db2.gz ULBLJYNYPVWBCP-UHFFFAOYSA-N 0 0 325.315 3.074 10 5 EGBERN COc1cc(NCC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])cc1C ZINC000596528528 459667921 /nfs/dbraw/zinc/66/79/21/459667921.db2.gz VZAXRVIAFBPZRN-UHFFFAOYSA-N 0 0 330.331 3.264 10 5 EGBERN O=[N+]([O-])c1c(N2CC3(CCC3)[C@H]2c2ccncc2)nc2sccn21 ZINC000596571767 459681066 /nfs/dbraw/zinc/68/10/66/459681066.db2.gz AIXHUINXJDIVQA-GFCCVEGCSA-N 0 0 341.396 3.431 10 5 EGBERN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572612 459682494 /nfs/dbraw/zinc/68/24/94/459682494.db2.gz NVXDXAHOGDOYAX-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CO[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CCC1 ZINC000596582022 459684285 /nfs/dbraw/zinc/68/42/85/459684285.db2.gz HFHWHGFNYNEUMQ-OAHLLOKOSA-N 0 0 332.360 3.120 10 5 EGBERN COc1cc(Cc2noc([C@H](OC)C3CCC3)n2)ccc1[N+](=O)[O-] ZINC000596591079 459687965 /nfs/dbraw/zinc/68/79/65/459687965.db2.gz MUFHLEJFPQQCLL-OAHLLOKOSA-N 0 0 333.344 3.065 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)ccc1[N+](=O)[O-] ZINC000596595557 459690053 /nfs/dbraw/zinc/69/00/53/459690053.db2.gz ARCQOKNVCKNJEQ-UPJWGTAASA-N 0 0 329.356 3.481 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598474 459692095 /nfs/dbraw/zinc/69/20/95/459692095.db2.gz HKCUHTRPDIQWNR-ZDUSSCGKSA-N 0 0 328.416 3.474 10 5 EGBERN CC[C@H](C)N(CC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596600880 459693073 /nfs/dbraw/zinc/69/30/73/459693073.db2.gz LWICVJVBDBBZMM-LBPRGKRZSA-N 0 0 332.404 3.449 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ncccc2OC(C)C)no1 ZINC000596617986 459700631 /nfs/dbraw/zinc/70/06/31/459700631.db2.gz ZDMHUKWIPBUOCX-UHFFFAOYSA-N 0 0 341.327 3.197 10 5 EGBERN CC[C@H](C)C[C@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000592876806 459709739 /nfs/dbraw/zinc/70/97/39/459709739.db2.gz ZYWDXYNTOXFMKA-JOYOIKCWSA-N 0 0 328.796 3.084 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501124237 459712696 /nfs/dbraw/zinc/71/26/96/459712696.db2.gz HQAUCGBBZVKYEH-RISCZKNCSA-N 0 0 335.404 3.439 10 5 EGBERN COC1CC(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000596657932 459716545 /nfs/dbraw/zinc/71/65/45/459716545.db2.gz DMOYMTIPEKDEPG-UHFFFAOYSA-N 0 0 349.431 3.330 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 ZINC000592902650 459717029 /nfs/dbraw/zinc/71/70/29/459717029.db2.gz RWMKRDCYYDEDCA-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN C[C@H](NCc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000593020560 459742031 /nfs/dbraw/zinc/74/20/31/459742031.db2.gz OPXDFOZBRWNQKB-VIFPVBQESA-N 0 0 326.278 3.254 10 5 EGBERN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(F)(F)F ZINC000493571173 459749741 /nfs/dbraw/zinc/74/97/41/459749741.db2.gz FEWKNMKXISWIJN-VIFPVBQESA-N 0 0 334.297 3.362 10 5 EGBERN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cscn1 ZINC000596744611 459750323 /nfs/dbraw/zinc/75/03/23/459750323.db2.gz QSSLZGNCBBHZIN-JTQLQIEISA-N 0 0 334.401 3.347 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000584480023 459752305 /nfs/dbraw/zinc/75/23/05/459752305.db2.gz OUSYAZKOQKKIQO-INIZCTEOSA-N 0 0 339.395 3.247 10 5 EGBERN CCOc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000544510375 459764219 /nfs/dbraw/zinc/76/42/19/459764219.db2.gz NPHJNZZMPQWLBD-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000596824340 459771289 /nfs/dbraw/zinc/77/12/89/459771289.db2.gz VMRCADCRXLGDIU-SUMWQHHRSA-N 0 0 347.415 3.226 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000596823498 459771348 /nfs/dbraw/zinc/77/13/48/459771348.db2.gz QEOYOHDBTWMICZ-DOMZBBRYSA-N 0 0 335.404 3.087 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000596823482 459771372 /nfs/dbraw/zinc/77/13/72/459771372.db2.gz QALQNNJZRGNQLO-CXAGYDPISA-N 0 0 347.415 3.226 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000596843899 459777149 /nfs/dbraw/zinc/77/71/49/459777149.db2.gz MKCBAVRLNOFGSL-ZDUSSCGKSA-N 0 0 329.303 3.160 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCC(C2CC2)CC1 ZINC000596868697 459783006 /nfs/dbraw/zinc/78/30/06/459783006.db2.gz FWFQHVMAQJDBRA-UHFFFAOYSA-N 0 0 332.400 3.436 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@H](C(C)C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000596872169 459783700 /nfs/dbraw/zinc/78/37/00/459783700.db2.gz SWHYUYXSFIBVIS-OAHLLOKOSA-N 0 0 349.387 3.246 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596891123 459788380 /nfs/dbraw/zinc/78/83/80/459788380.db2.gz PSUOSJVSCNJCOM-QGZVFWFLSA-N 0 0 349.387 3.026 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000596912585 459793899 /nfs/dbraw/zinc/79/38/99/459793899.db2.gz JYMXUVGQSXLGII-SJKOYZFVSA-N 0 0 343.383 3.401 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593177392 459798113 /nfs/dbraw/zinc/79/81/13/459798113.db2.gz CGEYZVHJSVDXSS-MRXNPFEDSA-N 0 0 333.388 3.230 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2noc(C3CC3)n2)c1 ZINC000593189718 459802207 /nfs/dbraw/zinc/80/22/07/459802207.db2.gz ZKCJYTGKMNHRLE-UHFFFAOYSA-N 0 0 349.368 3.075 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCOC2 ZINC000597055847 459827230 /nfs/dbraw/zinc/82/72/30/459827230.db2.gz QBLHZDLOYSLDOM-UHFFFAOYSA-N 0 0 341.367 3.032 10 5 EGBERN CCN(CC1CCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099398 459836139 /nfs/dbraw/zinc/83/61/39/459836139.db2.gz ZLEBDYWSSSQCJN-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN CCOC[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC000597098162 459836561 /nfs/dbraw/zinc/83/65/61/459836561.db2.gz SIZJXOMVXDEGEX-LLVKDONJSA-N 0 0 344.799 3.013 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000598288416 459850475 /nfs/dbraw/zinc/85/04/75/459850475.db2.gz HUADAUYOIDXZGD-UHFFFAOYSA-N 0 0 346.427 3.173 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593355196 459860753 /nfs/dbraw/zinc/86/07/53/459860753.db2.gz WVLAZEIKFFUOHT-CYBMUJFWSA-N 0 0 342.370 3.465 10 5 EGBERN COCc1ccnc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000593368264 459868010 /nfs/dbraw/zinc/86/80/10/459868010.db2.gz BGYKETRBZAQTQN-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H]2C(C)(C)C2(F)F)ccc1[N+](=O)[O-] ZINC000598337376 459870849 /nfs/dbraw/zinc/87/08/49/459870849.db2.gz PCCPKITZLQKDPG-ZDUSSCGKSA-N 0 0 342.342 3.403 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000598338304 459871175 /nfs/dbraw/zinc/87/11/75/459871175.db2.gz XKYWJEXGNIMFND-LLVKDONJSA-N 0 0 328.315 3.015 10 5 EGBERN C[C@H](C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598339621 459872112 /nfs/dbraw/zinc/87/21/12/459872112.db2.gz AVUVDQFUECRGNB-UFBFGSQYSA-N 0 0 330.306 3.245 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598350487 459875365 /nfs/dbraw/zinc/87/53/65/459875365.db2.gz MKPMZJUVTGUGIE-IAGOWNOFSA-N 0 0 346.358 3.222 10 5 EGBERN C[C@]12COC[C@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211785 459879273 /nfs/dbraw/zinc/87/92/73/459879273.db2.gz OVZNYAPBSHZHLQ-KDOFPFPSSA-N 0 0 328.368 3.323 10 5 EGBERN COC(=O)c1cc(NC(=O)c2csc(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000586814050 459880615 /nfs/dbraw/zinc/88/06/15/459880615.db2.gz XXIMUIWJFZXGKQ-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](C2CCC2)C1 ZINC000598401863 459890867 /nfs/dbraw/zinc/89/08/67/459890867.db2.gz XSWNRPLGXVBLPZ-CYBMUJFWSA-N 0 0 346.383 3.018 10 5 EGBERN Nc1cc(N2CCC[C@H]2Cc2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587396972 459892104 /nfs/dbraw/zinc/89/21/04/459892104.db2.gz GLBBVQRMNQOFRC-HNNXBMFYSA-N 0 0 345.374 3.020 10 5 EGBERN Nc1cc(NCc2ccccc2C(F)(F)F)cc(CO)c1[N+](=O)[O-] ZINC000587553369 459893293 /nfs/dbraw/zinc/89/32/93/459893293.db2.gz FZXICHJUXKZJNX-UHFFFAOYSA-N 0 0 341.289 3.300 10 5 EGBERN C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000593463653 459896376 /nfs/dbraw/zinc/89/63/76/459896376.db2.gz BHVYZOCXFDOIIR-ACJLOTCBSA-N 0 0 337.383 3.427 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976204 459897400 /nfs/dbraw/zinc/89/74/00/459897400.db2.gz XOTYTQAZILKYRB-BEFAXECRSA-N 0 0 342.395 3.436 10 5 EGBERN CCS[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587991582 459899041 /nfs/dbraw/zinc/89/90/41/459899041.db2.gz WSJQQICVNPDHDR-DGCLKSJQSA-N 0 0 325.434 3.146 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc([N+](=O)[O-])c1 ZINC000598455297 459902702 /nfs/dbraw/zinc/90/27/02/459902702.db2.gz DTMMSDYZMZOEEC-GVDBMIGSSA-N 0 0 326.327 3.110 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598466077 459903812 /nfs/dbraw/zinc/90/38/12/459903812.db2.gz RXGWKUABNYPDRG-UHFFFAOYSA-N 0 0 339.342 3.347 10 5 EGBERN Cc1cccc2c1CCC[C@H]2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598468951 459905367 /nfs/dbraw/zinc/90/53/67/459905367.db2.gz HXQRPYFMVVFGEB-MRXNPFEDSA-N 0 0 340.379 3.476 10 5 EGBERN CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598468482 459905653 /nfs/dbraw/zinc/90/56/53/459905653.db2.gz DKBFOEINIXQICZ-CYBMUJFWSA-N 0 0 342.399 3.072 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@@H](C1CC1)C1CCOCC1)CCCC2 ZINC000593492264 459906092 /nfs/dbraw/zinc/90/60/92/459906092.db2.gz WTJKDQLNUKPLCG-KRWDZBQOSA-N 0 0 331.416 3.486 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000598469851 459906310 /nfs/dbraw/zinc/90/63/10/459906310.db2.gz OWEBAUZDDKCHIY-OAHLLOKOSA-N 0 0 340.379 3.162 10 5 EGBERN COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000609128354 459906955 /nfs/dbraw/zinc/90/69/55/459906955.db2.gz ZLEJSHCSTAQGJL-HUUCEWRRSA-N 0 0 334.416 3.477 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593518488 459914479 /nfs/dbraw/zinc/91/44/79/459914479.db2.gz PJERPSGOSRPASU-NSHDSACASA-N 0 0 332.379 3.425 10 5 EGBERN Cc1c(Br)c(N2CC[C@]3(CC3(F)F)C2)ncc1[N+](=O)[O-] ZINC000593522880 459915186 /nfs/dbraw/zinc/91/51/86/459915186.db2.gz VKLQZHCRQSHANR-NSHDSACASA-N 0 0 348.147 3.296 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(N(C)C)nc2)n1 ZINC000546398681 459916945 /nfs/dbraw/zinc/91/69/45/459916945.db2.gz QZQCZILHOMFFFL-UHFFFAOYSA-N 0 0 325.328 3.081 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2CC1(C)C2 ZINC000597327991 459917490 /nfs/dbraw/zinc/91/74/90/459917490.db2.gz HCVJXIIXXILFNW-UHFFFAOYSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@@H](c1noc(-c2cc([N+](=O)[O-])cn2C)n1)c1c(F)cccc1F ZINC000546419394 459918325 /nfs/dbraw/zinc/91/83/25/459918325.db2.gz JQTGWDPTSKMDJX-MRVPVSSYSA-N 0 0 334.282 3.413 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Cl)o1 ZINC000588156952 459920191 /nfs/dbraw/zinc/92/01/91/459920191.db2.gz REUVLLSUFFWIDF-UHFFFAOYSA-N 0 0 337.763 3.225 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588180319 459927433 /nfs/dbraw/zinc/92/74/33/459927433.db2.gz SBLWSFBJWNVOHM-CYBMUJFWSA-N 0 0 325.315 3.087 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000613779280 459930932 /nfs/dbraw/zinc/93/09/32/459930932.db2.gz OOQOVOLHOCFOQB-NSHDSACASA-N 0 0 329.303 3.139 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232726 459935530 /nfs/dbraw/zinc/93/55/30/459935530.db2.gz ZMYVIDLPGGCFDB-KBPBESRZSA-N 0 0 336.342 3.195 10 5 EGBERN COCC1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCCC1 ZINC000598556734 459938044 /nfs/dbraw/zinc/93/80/44/459938044.db2.gz YKRGOAZBOWWPJA-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN COC(=O)c1ccc2c(c1)CN([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313357 459941668 /nfs/dbraw/zinc/94/16/68/459941668.db2.gz WEFUYYKMUZGMQP-GFCCVEGCSA-N 0 0 326.352 3.458 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(N3CCC(F)(F)C3)n2CC2CC2)cc1 ZINC000597406829 459942400 /nfs/dbraw/zinc/94/24/00/459942400.db2.gz MTBISFJWIAOISX-UHFFFAOYSA-N 0 0 349.341 3.109 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598575202 459946105 /nfs/dbraw/zinc/94/61/05/459946105.db2.gz HQCWQQJVCOEHDX-ZDUSSCGKSA-N 0 0 340.379 3.340 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598577380 459947019 /nfs/dbraw/zinc/94/70/19/459947019.db2.gz YOXDCPKVFOAXAX-MRXNPFEDSA-N 0 0 338.367 3.061 10 5 EGBERN CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000598579030 459948740 /nfs/dbraw/zinc/94/87/40/459948740.db2.gz UZNHPIXLFYSSOO-OAHLLOKOSA-N 0 0 348.399 3.083 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(C(C)(C)O)CC1 ZINC000593688050 459950874 /nfs/dbraw/zinc/95/08/74/459950874.db2.gz MMDZLNAUMHFACS-UHFFFAOYSA-N 0 0 348.443 3.173 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593695060 459954605 /nfs/dbraw/zinc/95/46/05/459954605.db2.gz GPHJBTNMGBLNCC-CYBMUJFWSA-N 0 0 334.269 3.427 10 5 EGBERN COc1cccc2c1N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCC2 ZINC000609443921 459962480 /nfs/dbraw/zinc/96/24/80/459962480.db2.gz KHHZAKUEAHMZMS-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593761615 459977452 /nfs/dbraw/zinc/97/74/52/459977452.db2.gz LTWGFRSADOXBMC-UHFFFAOYSA-N 0 0 347.758 3.480 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000609543456 459980233 /nfs/dbraw/zinc/98/02/33/459980233.db2.gz LTTCFZBVCQZRBV-PXAZEXFGSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1cccc2c1CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609622096 459996706 /nfs/dbraw/zinc/99/67/06/459996706.db2.gz YVXYKZJGERPZNL-UHFFFAOYSA-N 0 0 338.410 3.106 10 5 EGBERN Cc1ccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)c1 ZINC000588896928 460000069 /nfs/dbraw/zinc/00/00/69/460000069.db2.gz AMBYABJLRKHVSN-UHFFFAOYSA-N 0 0 348.349 3.391 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000609756853 460013495 /nfs/dbraw/zinc/01/34/95/460013495.db2.gz YJIYNGWGUBUHJH-LBPRGKRZSA-N 0 0 330.409 3.500 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000593914485 460015068 /nfs/dbraw/zinc/01/50/68/460015068.db2.gz CLLUGVKXTCFRSO-HNNXBMFYSA-N 0 0 339.395 3.450 10 5 EGBERN COc1ccc(CC(=O)Nc2nccc(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000598766414 460026209 /nfs/dbraw/zinc/02/62/09/460026209.db2.gz YBVMZWHQAZHKRC-UHFFFAOYSA-N 0 0 341.367 3.365 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000609854293 460028609 /nfs/dbraw/zinc/02/86/09/460028609.db2.gz SKAHLRRTBIFQKH-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000598779223 460030894 /nfs/dbraw/zinc/03/08/94/460030894.db2.gz CZFVBBLYDLCVEC-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598779705 460031200 /nfs/dbraw/zinc/03/12/00/460031200.db2.gz CXRNSNUWRXEZOP-QMMMGPOBSA-N 0 0 349.131 3.132 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(CC2CC2)C1 ZINC000598781729 460032166 /nfs/dbraw/zinc/03/21/66/460032166.db2.gz PKCUTMRJZNRNSZ-UHFFFAOYSA-N 0 0 339.189 3.229 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781354 460032524 /nfs/dbraw/zinc/03/25/24/460032524.db2.gz MVVIBKUNDPTKOY-UHFFFAOYSA-N 0 0 326.299 3.068 10 5 EGBERN Cc1ccc(COCC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000598811322 460046232 /nfs/dbraw/zinc/04/62/32/460046232.db2.gz BTVYXKBYCSPLQL-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN CC(C)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000597757843 460049517 /nfs/dbraw/zinc/04/95/17/460049517.db2.gz QSXGHOVTJKUJOE-UHFFFAOYSA-N 0 0 333.310 3.244 10 5 EGBERN Cc1cc(NC(=O)C[C@@H](C)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827467 460053811 /nfs/dbraw/zinc/05/38/11/460053811.db2.gz HTUOKMQIZXDRPC-DIFFPNOSSA-N 0 0 343.383 3.017 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000598828848 460055313 /nfs/dbraw/zinc/05/53/13/460055313.db2.gz RUOHDEHAMQFIRY-WCBMZHEXSA-N 0 0 332.278 3.367 10 5 EGBERN CC(C)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051271 460056657 /nfs/dbraw/zinc/05/66/57/460056657.db2.gz FCOKDSYZHJYKCC-MNOVXSKESA-N 0 0 328.796 3.424 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@@H]2C[C@@H]2C)[nH][nH]1 ZINC000597796396 460064203 /nfs/dbraw/zinc/06/42/03/460064203.db2.gz PZLNIAWYYUJCRY-OIBJUYFYSA-N 0 0 334.763 3.077 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](Oc4cccc(F)c4)C3)nc2c1 ZINC000618585730 460074847 /nfs/dbraw/zinc/07/48/47/460074847.db2.gz CFSFONFGWPMNRR-CQSZACIVSA-N 0 0 342.330 3.268 10 5 EGBERN CCOc1cc(C(=O)N[C@@](C)(CC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000598873251 460078288 /nfs/dbraw/zinc/07/82/88/460078288.db2.gz XIQLLXGJQOTYDE-KRWDZBQOSA-N 0 0 336.388 3.311 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C(C)(F)F)cc1SC ZINC000594063445 460081827 /nfs/dbraw/zinc/08/18/27/460081827.db2.gz UQCWQWUINPPGSO-UHFFFAOYSA-N 0 0 348.371 3.489 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594067820 460084674 /nfs/dbraw/zinc/08/46/74/460084674.db2.gz ASKVVSIWTXWLPT-XWTMOSNGSA-N 0 0 344.411 3.162 10 5 EGBERN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597864829 460085857 /nfs/dbraw/zinc/08/58/57/460085857.db2.gz PJTHGGBUPCUZKL-VBNZEHGJSA-N 0 0 325.368 3.013 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594072008 460087365 /nfs/dbraw/zinc/08/73/65/460087365.db2.gz MUHIJUUWEBZKCN-SJORKVTESA-N 0 0 347.415 3.104 10 5 EGBERN COc1cc(C(=O)Nc2cncc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000597870029 460087846 /nfs/dbraw/zinc/08/78/46/460087846.db2.gz LHEYDWSHRMCDAU-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@H]1CCCO1)C1CCCC1 ZINC000610235815 460091073 /nfs/dbraw/zinc/09/10/73/460091073.db2.gz ACMBEYWJZZNIPE-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC000610243104 460093238 /nfs/dbraw/zinc/09/32/38/460093238.db2.gz BUQDDXWTDUTZGP-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN CCN(CCC(F)(F)F)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589498822 460095088 /nfs/dbraw/zinc/09/50/88/460095088.db2.gz HVASUKQLTYESHJ-UHFFFAOYSA-N 0 0 334.294 3.156 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000598938151 460095302 /nfs/dbraw/zinc/09/53/02/460095302.db2.gz AUYMZHBOCXDGBE-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000598937117 460095441 /nfs/dbraw/zinc/09/54/41/460095441.db2.gz STGXEMKRVGUITO-UHFFFAOYSA-N 0 0 330.363 3.206 10 5 EGBERN COc1cc(CN2CCc3nc(C(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000598938403 460096419 /nfs/dbraw/zinc/09/64/19/460096419.db2.gz ZRCFOIHFNHBBFK-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3c2cccc3F)c1 ZINC000589511945 460096506 /nfs/dbraw/zinc/09/65/06/460096506.db2.gz NZVUXIVBJJUCPL-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCc2cccnc21 ZINC000598949417 460099267 /nfs/dbraw/zinc/09/92/67/460099267.db2.gz BBJYBZGBEZHMCR-OAHLLOKOSA-N 0 0 339.395 3.375 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000598951356 460099644 /nfs/dbraw/zinc/09/96/44/460099644.db2.gz SWGCTUQDDYNVFP-YPMHNXCESA-N 0 0 343.358 3.079 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597917839 460109833 /nfs/dbraw/zinc/10/98/33/460109833.db2.gz BLLYVGXDTCNNTM-ZDUSSCGKSA-N 0 0 343.383 3.078 10 5 EGBERN Nc1cc(NC[C@H]2CC[C@@H](c3ccccc3)O2)cc(CO)c1[N+](=O)[O-] ZINC000589604606 460109725 /nfs/dbraw/zinc/10/97/25/460109725.db2.gz IWGISNZJUUUXSK-WBVHZDCISA-N 0 0 343.383 3.002 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)[C@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000602760247 460110274 /nfs/dbraw/zinc/11/02/74/460110274.db2.gz ZBNSUOPESMVHAK-FFWXCITRSA-N 0 0 349.390 3.493 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597919762 460110903 /nfs/dbraw/zinc/11/09/03/460110903.db2.gz PWJRSRJRBKRXDR-ZDUSSCGKSA-N 0 0 338.429 3.008 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594135241 460120734 /nfs/dbraw/zinc/12/07/34/460120734.db2.gz GFLYYCXBZMVLRB-CWRNSKLLSA-N 0 0 334.416 3.266 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594135779 460120767 /nfs/dbraw/zinc/12/07/67/460120767.db2.gz GRVMGBMLYSLVQE-LBPRGKRZSA-N 0 0 345.399 3.324 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(Cc2ccco2)CC1 ZINC000599015420 460126944 /nfs/dbraw/zinc/12/69/44/460126944.db2.gz FEYLUJMMXBPZPZ-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN CCOC(=O)c1ncc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000602803645 460134526 /nfs/dbraw/zinc/13/45/26/460134526.db2.gz DVATXEIELSOWNE-AWEZNQCLSA-N 0 0 349.412 3.469 10 5 EGBERN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594172384 460136733 /nfs/dbraw/zinc/13/67/33/460136733.db2.gz AFKHYUROHCGQMR-LLVKDONJSA-N 0 0 342.342 3.304 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000594205797 460150676 /nfs/dbraw/zinc/15/06/76/460150676.db2.gz ZFQQPILWGHPWCH-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594211990 460154238 /nfs/dbraw/zinc/15/42/38/460154238.db2.gz KCRUPAKEPNEOPC-XJKSGUPXSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000599103667 460162118 /nfs/dbraw/zinc/16/21/18/460162118.db2.gz XQTRYOICTWABBA-MELADBBJSA-N 0 0 344.415 3.053 10 5 EGBERN COC(=O)c1cc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000599118739 460166022 /nfs/dbraw/zinc/16/60/22/460166022.db2.gz OXADDBSJMBLHNT-GHMZBOCLSA-N 0 0 342.342 3.417 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000599118564 460166166 /nfs/dbraw/zinc/16/61/66/460166166.db2.gz KACHWXHWIUDRIT-GVDBMIGSSA-N 0 0 342.782 3.450 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1Cc2ccccc2CO1 ZINC000599123266 460167337 /nfs/dbraw/zinc/16/73/37/460167337.db2.gz CXNFGLIFNUMZEJ-KRWDZBQOSA-N 0 0 328.368 3.295 10 5 EGBERN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594242234 460168110 /nfs/dbraw/zinc/16/81/10/460168110.db2.gz NIXBKWFRLGSBEV-GOEBONIOSA-N 0 0 335.404 3.050 10 5 EGBERN CCCc1cncc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000599134881 460170194 /nfs/dbraw/zinc/17/01/94/460170194.db2.gz CBZLOUAASSAIMX-UHFFFAOYSA-N 0 0 336.369 3.138 10 5 EGBERN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccncc1 ZINC000610517082 460173418 /nfs/dbraw/zinc/17/34/18/460173418.db2.gz WVJRTBYFGSKOHS-GFCCVEGCSA-N 0 0 340.383 3.098 10 5 EGBERN CSc1ccncc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610546132 460180562 /nfs/dbraw/zinc/18/05/62/460180562.db2.gz ZUDDJNDQQSRBOT-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610596556 460193941 /nfs/dbraw/zinc/19/39/41/460193941.db2.gz HRPBETKYGAFYIG-UONOGXRCSA-N 0 0 342.399 3.462 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCCC2(CC2)CC1 ZINC000599190272 460194079 /nfs/dbraw/zinc/19/40/79/460194079.db2.gz BPOOOEAGFZCHHJ-UHFFFAOYSA-N 0 0 345.443 3.198 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000599191878 460194721 /nfs/dbraw/zinc/19/47/21/460194721.db2.gz LXDBAEYORAYGMU-CQSZACIVSA-N 0 0 326.352 3.497 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594400872 460205542 /nfs/dbraw/zinc/20/55/42/460205542.db2.gz IWFPQNILZHCMCH-GFCCVEGCSA-N 0 0 333.388 3.257 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1(F)F ZINC000598213515 460205921 /nfs/dbraw/zinc/20/59/21/460205921.db2.gz CBZPLSCXPQTIEA-LLVKDONJSA-N 0 0 338.232 3.389 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CC1(F)F ZINC000598217628 460208143 /nfs/dbraw/zinc/20/81/43/460208143.db2.gz UZPPITJFWKPIOB-WFASDCNBSA-N 0 0 326.343 3.325 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CC1(F)F ZINC000598217625 460208385 /nfs/dbraw/zinc/20/83/85/460208385.db2.gz UZPPITJFWKPIOB-DOMZBBRYSA-N 0 0 326.343 3.325 10 5 EGBERN C[C@@]1(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000598217969 460208431 /nfs/dbraw/zinc/20/84/31/460208431.db2.gz FGRDNDMINDMARM-OAHLLOKOSA-N 0 0 340.326 3.109 10 5 EGBERN CSc1cccc(C(=O)NCC[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000598218933 460210099 /nfs/dbraw/zinc/21/00/99/460210099.db2.gz JLFNVOFVVQHADQ-ZDUSSCGKSA-N 0 0 330.356 3.482 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598230928 460215915 /nfs/dbraw/zinc/21/59/15/460215915.db2.gz QTQKPJWUKHZWMV-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCc1noc3ccccc31)CCCC2 ZINC000594452919 460224999 /nfs/dbraw/zinc/22/49/99/460224999.db2.gz WYJFSGXQQVSKKY-UHFFFAOYSA-N 0 0 339.351 3.019 10 5 EGBERN CCOc1cccc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000610760497 460232850 /nfs/dbraw/zinc/23/28/50/460232850.db2.gz OMAUDSROTAZABO-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@]3(CCCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769915 460234677 /nfs/dbraw/zinc/23/46/77/460234677.db2.gz DVYURRSQBQJFOH-GOSISDBHSA-N 0 0 348.399 3.087 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000610968282 460268028 /nfs/dbraw/zinc/26/80/28/460268028.db2.gz QWXJOIIVFCUROV-JTQLQIEISA-N 0 0 342.367 3.333 10 5 EGBERN CC(C)C1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000611078149 460286933 /nfs/dbraw/zinc/28/69/33/460286933.db2.gz AOXYZLDKGAKNRS-UHFFFAOYSA-N 0 0 346.305 3.264 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1C(F)(F)F ZINC000619210369 460302622 /nfs/dbraw/zinc/30/26/22/460302622.db2.gz PDSQUYPPDXJXSI-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN C/C=C/C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690682 460312038 /nfs/dbraw/zinc/31/20/38/460312038.db2.gz PBRALZUXAWCZGA-XGACYXMMSA-N 0 0 347.415 3.220 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000599694292 460314074 /nfs/dbraw/zinc/31/40/74/460314074.db2.gz HDUUXFWVJJBXAV-ZDUSSCGKSA-N 0 0 341.367 3.337 10 5 EGBERN COC(=O)C1C[C@@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000599696556 460314786 /nfs/dbraw/zinc/31/47/86/460314786.db2.gz PAINCTYEVXMNAK-NXEZZACHSA-N 0 0 342.342 3.035 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000611280310 460327808 /nfs/dbraw/zinc/32/78/08/460327808.db2.gz AQLNSGDZNLJCFZ-OAHLLOKOSA-N 0 0 342.399 3.194 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCc2ncccc2C1 ZINC000611283329 460328158 /nfs/dbraw/zinc/32/81/58/460328158.db2.gz HVDPEKFKUCVDNN-UHFFFAOYSA-N 0 0 325.368 3.114 10 5 EGBERN CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCSC1 ZINC000599833405 460344092 /nfs/dbraw/zinc/34/40/92/460344092.db2.gz REQQKOXKTUGPMM-JTQLQIEISA-N 0 0 332.385 3.112 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CS1 ZINC000599840841 460347081 /nfs/dbraw/zinc/34/70/81/460347081.db2.gz UMNQWUOYPOHSLS-VHSXEESVSA-N 0 0 332.385 3.159 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599877262 460352595 /nfs/dbraw/zinc/35/25/95/460352595.db2.gz YNLZVMSLOKNQGK-VIFPVBQESA-N 0 0 339.189 3.396 10 5 EGBERN CCOC(=O)c1cnc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)nc1C ZINC000611493387 460376325 /nfs/dbraw/zinc/37/63/25/460376325.db2.gz ACFMQTSGQZRPLN-OAHLLOKOSA-N 0 0 344.371 3.433 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611505226 460380433 /nfs/dbraw/zinc/38/04/33/460380433.db2.gz ASELSORBWIIZOG-GXTWGEPZSA-N 0 0 335.379 3.015 10 5 EGBERN CN(Cc1ccc2ccccc2c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525281 460387433 /nfs/dbraw/zinc/38/74/33/460387433.db2.gz UHBWRFILLTWFRF-UHFFFAOYSA-N 0 0 337.379 3.459 10 5 EGBERN CCc1cc(NCC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604303468 460402427 /nfs/dbraw/zinc/40/24/27/460402427.db2.gz IGDHYXDEASFKCV-MRXNPFEDSA-N 0 0 342.399 3.017 10 5 EGBERN Cc1nc(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)sc1C ZINC000611617277 460414624 /nfs/dbraw/zinc/41/46/24/460414624.db2.gz BNIOCVQWAVIJFN-UHFFFAOYSA-N 0 0 347.444 3.007 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3ccnc(C)n3)C2)n1 ZINC000611616589 460415303 /nfs/dbraw/zinc/41/53/03/460415303.db2.gz FGGXBMMOZFCPQB-CQSZACIVSA-N 0 0 327.388 3.089 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C(F)(F)F)c(Br)c1 ZINC000619698062 460416961 /nfs/dbraw/zinc/41/69/61/460416961.db2.gz PCOQFAAERSBSFZ-IYSWYEEDSA-N 0 0 326.072 3.115 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC(C2CCOCC2)C1 ZINC000619699382 460418797 /nfs/dbraw/zinc/41/87/97/460418797.db2.gz NHEQHFGNLXYFAC-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN CCCN(C[C@H]1CCCCO1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704406 460432820 /nfs/dbraw/zinc/43/28/20/460432820.db2.gz ALZYWEYLRHLMLE-CQSZACIVSA-N 0 0 330.388 3.324 10 5 EGBERN Cn1cc([C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cn1 ZINC000611706561 460433766 /nfs/dbraw/zinc/43/37/66/460433766.db2.gz FISITHKVSCEHMU-OAHLLOKOSA-N 0 0 340.387 3.471 10 5 EGBERN COC[C@@]1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600212616 460443174 /nfs/dbraw/zinc/44/31/74/460443174.db2.gz HDOGHINSOFRBTR-GOSISDBHSA-N 0 0 346.383 3.092 10 5 EGBERN O=[N+]([O-])c1ncccc1N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000604555766 460446198 /nfs/dbraw/zinc/44/61/98/460446198.db2.gz BLRTUIJJGJCIJO-OAHLLOKOSA-N 0 0 347.378 3.416 10 5 EGBERN O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600303197 460468164 /nfs/dbraw/zinc/46/81/64/460468164.db2.gz VWKPPRQXMRGNER-MRXNPFEDSA-N 0 0 329.331 3.400 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000600305964 460468743 /nfs/dbraw/zinc/46/87/43/460468743.db2.gz ZFDZAFYVCZUWED-UHFFFAOYSA-N 0 0 338.791 3.388 10 5 EGBERN CCCOc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000600366445 460483254 /nfs/dbraw/zinc/48/32/54/460483254.db2.gz JZANEKMSSCCTKY-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN CCCOc1cncc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000600365369 460483619 /nfs/dbraw/zinc/48/36/19/460483619.db2.gz GIVVXFOUBUEPIB-UHFFFAOYSA-N 0 0 345.355 3.186 10 5 EGBERN CCC(F)(F)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600379650 460486544 /nfs/dbraw/zinc/48/65/44/460486544.db2.gz JEDOFWVSQASAQK-UHFFFAOYSA-N 0 0 336.722 3.179 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000600380397 460486615 /nfs/dbraw/zinc/48/66/15/460486615.db2.gz VGBHDZKFMRKOET-HDJSIYSDSA-N 0 0 337.420 3.037 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000600393387 460488445 /nfs/dbraw/zinc/48/84/45/460488445.db2.gz MOJDOSAMWRZTFV-UHFFFAOYSA-N 0 0 330.331 3.161 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000600406184 460490293 /nfs/dbraw/zinc/49/02/93/460490293.db2.gz BWKWJKCYVNLZBZ-OAHLLOKOSA-N 0 0 348.399 3.003 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000600418098 460491989 /nfs/dbraw/zinc/49/19/89/460491989.db2.gz BHCRIBRPMNOXCG-INIZCTEOSA-N 0 0 348.399 3.003 10 5 EGBERN CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600431306 460494582 /nfs/dbraw/zinc/49/45/82/460494582.db2.gz USYTUHFUJYJLAO-CQSZACIVSA-N 0 0 331.347 3.470 10 5 EGBERN C[C@H](NCc1cn(C)nn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611973692 460498395 /nfs/dbraw/zinc/49/83/95/460498395.db2.gz YTDASXFIZXHCIT-NSHDSACASA-N 0 0 343.412 3.303 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)C1(C)CCCC1 ZINC000600486411 460503877 /nfs/dbraw/zinc/50/38/77/460503877.db2.gz LYXCJWQSEKDLKZ-HNNXBMFYSA-N 0 0 346.427 3.429 10 5 EGBERN C[C@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]2C[C@H]2C1 ZINC000600493917 460505986 /nfs/dbraw/zinc/50/59/86/460505986.db2.gz QOTURFQOEASEFC-FVGIMDHTSA-N 0 0 327.384 3.171 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000600513553 460507943 /nfs/dbraw/zinc/50/79/43/460507943.db2.gz QWXVNRUWMBDTDE-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN CC1(C)C(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1(C)C ZINC000600558519 460523075 /nfs/dbraw/zinc/52/30/75/460523075.db2.gz GDYJHEZHXQPWRK-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN CC1(C)C[C@H](SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000600575510 460530133 /nfs/dbraw/zinc/53/01/33/460530133.db2.gz OELVJBRESAGKJG-LBPRGKRZSA-N 0 0 335.385 3.446 10 5 EGBERN COc1cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)ccc1F ZINC000601151340 460733889 /nfs/dbraw/zinc/73/38/89/460733889.db2.gz WYRLKFQGYUREEV-UHFFFAOYSA-N 0 0 334.229 3.238 10 5 EGBERN Cc1nc(N[C@H](CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000601208858 460750523 /nfs/dbraw/zinc/75/05/23/460750523.db2.gz OJGYEGIPFZWMOP-GFCCVEGCSA-N 0 0 341.289 3.463 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(Oc2ccccc2F)CC1 ZINC000601216226 460753625 /nfs/dbraw/zinc/75/36/25/460753625.db2.gz KOIZUHOWVBQJEA-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](c4cccnc4)C3)c2c1 ZINC000601216704 460754808 /nfs/dbraw/zinc/75/48/08/460754808.db2.gz IKXCOIMVHXWVFY-AWEZNQCLSA-N 0 0 335.367 3.317 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCO[C@H](C(F)F)CC1 ZINC000601232586 460759094 /nfs/dbraw/zinc/75/90/94/460759094.db2.gz UCEDPQHOHYTAGC-NSHDSACASA-N 0 0 340.248 3.474 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000617149125 460760047 /nfs/dbraw/zinc/76/00/47/460760047.db2.gz AWQVLOFRLQEIOP-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601237404 460761370 /nfs/dbraw/zinc/76/13/70/460761370.db2.gz DYPJVJWSOAWMIN-SJKOYZFVSA-N 0 0 343.408 3.368 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3c2CCOC3)c1 ZINC000601238942 460762115 /nfs/dbraw/zinc/76/21/15/460762115.db2.gz BCAJQLVQAWYQEX-UHFFFAOYSA-N 0 0 342.351 3.066 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000601252330 460766341 /nfs/dbraw/zinc/76/63/41/460766341.db2.gz ICZJODUHSFJODZ-KMFMINBZSA-N 0 0 327.384 3.273 10 5 EGBERN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccncc1 ZINC000601343225 460791335 /nfs/dbraw/zinc/79/13/35/460791335.db2.gz LGHAWECUGTYWQD-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN O=C(NC1Cc2ccccc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601444738 460813567 /nfs/dbraw/zinc/81/35/67/460813567.db2.gz IPJHGJSOSRTOBQ-UHFFFAOYSA-N 0 0 336.391 3.300 10 5 EGBERN O=C(N1CCc2ncsc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601515691 460823272 /nfs/dbraw/zinc/82/32/72/460823272.db2.gz DGYOARVVVVUBPP-UHFFFAOYSA-N 0 0 343.408 3.058 10 5 EGBERN Cc1c(CNC(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601594993 460842548 /nfs/dbraw/zinc/84/25/48/460842548.db2.gz DQINKGOZJIMRQZ-IAGOWNOFSA-N 0 0 347.415 3.050 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000601601718 460844088 /nfs/dbraw/zinc/84/40/88/460844088.db2.gz GODPMLUYOGMVNU-QMMMGPOBSA-N 0 0 336.747 3.206 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[C@H](C)O1 ZINC000601643175 460854956 /nfs/dbraw/zinc/85/49/56/460854956.db2.gz DMENWCDZJKTILG-RMRKRWHISA-N 0 0 347.415 3.050 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601659896 460859765 /nfs/dbraw/zinc/85/97/65/460859765.db2.gz OQCSUYUOZIULLO-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601659066 460859841 /nfs/dbraw/zinc/85/98/41/460859841.db2.gz UMNCNBLMLNFLFL-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601660660 460860565 /nfs/dbraw/zinc/86/05/65/460860565.db2.gz SJQATRCGPIFJIG-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000601699015 460874288 /nfs/dbraw/zinc/87/42/88/460874288.db2.gz BATPQUZIZRMBSJ-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000601701690 460876388 /nfs/dbraw/zinc/87/63/88/460876388.db2.gz WZTDQQJAHSLKLR-INIZCTEOSA-N 0 0 330.340 3.176 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC(CCF)CC1 ZINC000601748080 460889029 /nfs/dbraw/zinc/88/90/29/460889029.db2.gz XNYHABZUJYKTQX-UHFFFAOYSA-N 0 0 346.362 3.197 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601767287 460892847 /nfs/dbraw/zinc/89/28/47/460892847.db2.gz LXNIFYMLDYGSQC-FXPVBKGRSA-N 0 0 344.820 3.022 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12C[C@@H]1CCCC2 ZINC000601775254 460895307 /nfs/dbraw/zinc/89/53/07/460895307.db2.gz OJADPBQWYACHBM-ZBEGNZNMSA-N 0 0 338.791 3.466 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000613296345 460900210 /nfs/dbraw/zinc/90/02/10/460900210.db2.gz VNIJZLYKMCBBFY-LLVKDONJSA-N 0 0 343.330 3.447 10 5 EGBERN COc1cccc(C(=O)N2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000618127021 461094008 /nfs/dbraw/zinc/09/40/08/461094008.db2.gz SQMUIMGMRASUGX-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301354974 518197183 /nfs/dbraw/zinc/19/71/83/518197183.db2.gz KMECHWQBEMVDTA-WPRPVWTQSA-N 0 0 331.294 3.070 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000187138247 534565040 /nfs/dbraw/zinc/56/50/40/534565040.db2.gz BTTCILLRAVQMPQ-HNNXBMFYSA-N 0 0 331.397 3.266 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000184940543 527527474 /nfs/dbraw/zinc/52/74/74/527527474.db2.gz IMULBSCKQHLAPR-HLJWWWLNSA-N 0 0 330.384 3.072 10 5 EGBERN CC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000351840400 535868018 /nfs/dbraw/zinc/86/80/18/535868018.db2.gz FNLNDMUWMNEATC-ZDUSSCGKSA-N 0 0 328.324 3.205 10 5 EGBERN CN(C(=O)CCc1ncc(C(C)(C)C)o1)c1ccc([N+](=O)[O-])cc1 ZINC000193291815 535980712 /nfs/dbraw/zinc/98/07/12/535980712.db2.gz ALGYCJUKOCFBGJ-UHFFFAOYSA-N 0 0 331.372 3.476 10 5 EGBERN COCCC[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161858008 536653906 /nfs/dbraw/zinc/65/39/06/536653906.db2.gz BLQDFAOBYDGLMG-LLVKDONJSA-N 0 0 331.372 3.453 10 5 EGBERN Cc1nn(CCC(=O)O[C@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000726733130 574568598 /nfs/dbraw/zinc/56/85/98/574568598.db2.gz ZJAASTPVYNIPTO-HNNXBMFYSA-N 0 0 329.356 3.029 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Sc2nnc3sc4ccccc4n23)n1C ZINC000169985519 564104074 /nfs/dbraw/zinc/10/40/74/564104074.db2.gz XGWJKENKOZPTMQ-UHFFFAOYSA-N 0 0 346.397 3.045 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000728252127 574733749 /nfs/dbraw/zinc/73/37/49/574733749.db2.gz CRAJHJQYRXSGPU-DKISHCGFSA-N 0 0 338.363 3.475 10 5 EGBERN CC[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000728345034 574741465 /nfs/dbraw/zinc/74/14/65/574741465.db2.gz WUGKDYRTEQUAKT-AWEZNQCLSA-N 0 0 346.339 3.119 10 5 EGBERN O=[N+]([O-])c1c(NCCOc2ccc(F)cc2F)nc2ccccn21 ZINC000730106646 574920181 /nfs/dbraw/zinc/92/01/81/574920181.db2.gz FUBDSXNEGQVCIP-UHFFFAOYSA-N 0 0 334.282 3.012 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCc2ccccc2C1=O ZINC000731510431 575078306 /nfs/dbraw/zinc/07/83/06/575078306.db2.gz ODKGTORMETUXSX-MRXNPFEDSA-N 0 0 340.335 3.043 10 5 EGBERN O=C(OCCc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735352305 575648878 /nfs/dbraw/zinc/64/88/78/575648878.db2.gz IWYUHFXBKFAHFG-UHFFFAOYSA-N 0 0 338.319 3.248 10 5 EGBERN COc1c(C)cnc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000736774045 576025418 /nfs/dbraw/zinc/02/54/18/576025418.db2.gz AAHVZBRWPLMMQW-UHFFFAOYSA-N 0 0 336.369 3.342 10 5 EGBERN CC(C)(C)[C@@H](Cc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000741114777 576655473 /nfs/dbraw/zinc/65/54/73/576655473.db2.gz IZZVHIHECJDTPU-MRXNPFEDSA-N 0 0 345.399 3.382 10 5 EGBERN O=C(OCCOCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000741123511 576656914 /nfs/dbraw/zinc/65/69/14/576656914.db2.gz MZNLLMLEDAEPCS-UHFFFAOYSA-N 0 0 340.335 3.450 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000741603230 576704508 /nfs/dbraw/zinc/70/45/08/576704508.db2.gz HFQBAFJEZADCCB-WMZOPIPTSA-N 0 0 344.342 3.203 10 5 EGBERN Cc1c(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000742468803 576786238 /nfs/dbraw/zinc/78/62/38/576786238.db2.gz KAHIJTPDHVISCQ-SNVBAGLBSA-N 0 0 337.376 3.145 10 5 EGBERN C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000742833823 576796142 /nfs/dbraw/zinc/79/61/42/576796142.db2.gz HGYZEZMRJDYSGJ-RCQQVGEISA-N 0 0 347.415 3.369 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000742836577 576796273 /nfs/dbraw/zinc/79/62/73/576796273.db2.gz OMHIMNFQTSHPKG-UHFFFAOYSA-N 0 0 332.287 3.220 10 5 EGBERN CCOc1cc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1O ZINC000040068673 1291409747 /nfs/dbraw/zinc/40/97/47/1291409747.db2.gz OSQBCLBILDIOTB-QPEQYQDCSA-N 0 0 326.308 3.192 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000068007980 1292180943 /nfs/dbraw/zinc/18/09/43/1292180943.db2.gz YSEMVVADWUOPBH-SSDOTTSWSA-N 0 0 327.312 3.129 10 5 EGBERN CCOC(=O)[C@H](CC)Oc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000094295973 1292942628 /nfs/dbraw/zinc/94/26/28/1292942628.db2.gz QTVUXOHPYSRKAB-NSHDSACASA-N 0 0 346.177 3.386 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CC2CC2)c1=S ZINC000153569722 1294020113 /nfs/dbraw/zinc/02/01/13/1294020113.db2.gz LOVAPAJSHOCIPS-UHFFFAOYSA-N 0 0 347.444 3.308 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000870052789 1295618692 /nfs/dbraw/zinc/61/86/92/1295618692.db2.gz CHCRFJGYPWNXOP-BNOWGMLFSA-N 0 0 335.356 3.178 10 5 EGBERN C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC000870496255 1295905507 /nfs/dbraw/zinc/90/55/07/1295905507.db2.gz NKOXTGCGIZMYLV-NSHDSACASA-N 0 0 333.319 3.235 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)/C=C\COC1CCOCC1 ZINC000870701873 1296030376 /nfs/dbraw/zinc/03/03/76/1296030376.db2.gz XRHVAPNJYBGLMC-ARJAWSKDSA-N 0 0 349.383 3.007 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828299 1296106463 /nfs/dbraw/zinc/10/64/63/1296106463.db2.gz OEGBBVLDEKUGCO-UHFFFAOYSA-N 0 0 349.774 3.243 10 5 EGBERN C[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(Cl)c1 ZINC000870829766 1296107696 /nfs/dbraw/zinc/10/76/96/1296107696.db2.gz QBSPLJCXYXZUBA-ZZJLNTIPSA-N 0 0 349.774 3.495 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCCS1 ZINC000871035789 1296189488 /nfs/dbraw/zinc/18/94/88/1296189488.db2.gz SRSAHRLHSSYLGH-SNVBAGLBSA-N 0 0 346.811 3.332 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](SC)C1 ZINC000871095740 1296221963 /nfs/dbraw/zinc/22/19/63/1296221963.db2.gz BZVYLDSIISMPAR-HOMQSWHASA-N 0 0 326.443 3.331 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000871214121 1296278805 /nfs/dbraw/zinc/27/88/05/1296278805.db2.gz HTBMOXYNYNEAGF-UHFFFAOYSA-N 0 0 343.261 3.147 10 5 EGBERN Nc1c(C(=O)N2CCC[C@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000871372413 1296376237 /nfs/dbraw/zinc/37/62/37/1296376237.db2.gz QXCOODRBKSMBAS-GOSISDBHSA-N 0 0 343.358 3.278 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871374333 1296380064 /nfs/dbraw/zinc/38/00/64/1296380064.db2.gz LGPGRYWKIWUBHA-GOSISDBHSA-N 0 0 343.358 3.399 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871572307 1296434823 /nfs/dbraw/zinc/43/48/23/1296434823.db2.gz YCOVWKIFNNLARA-LLVKDONJSA-N 0 0 338.791 3.185 10 5 EGBERN O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871746558 1296514061 /nfs/dbraw/zinc/51/40/61/1296514061.db2.gz NDFMWQHEVWCOOS-OLUVUFQESA-N 0 0 339.779 3.327 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2nccn2CC(F)F)c1 ZINC000871815957 1296546653 /nfs/dbraw/zinc/54/66/53/1296546653.db2.gz ACPXEZXDPLCNBX-UHFFFAOYSA-N 0 0 348.256 3.270 10 5 EGBERN CCOC(=O)c1cccc(CNc2c(C)c([N+](=O)[O-])ccc2F)n1 ZINC000871835942 1296556702 /nfs/dbraw/zinc/55/67/02/1296556702.db2.gz QYVFJYMGECSGPX-UHFFFAOYSA-N 0 0 333.319 3.226 10 5 EGBERN Cc1cc(NCc2cccc([N+](=O)[O-])c2C)cc(S(C)(=O)=O)c1 ZINC000871863932 1296576035 /nfs/dbraw/zinc/57/60/35/1296576035.db2.gz JKKMFBUZDJTILG-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025319 1296668057 /nfs/dbraw/zinc/66/80/57/1296668057.db2.gz KPOAMPBTEYFASU-CYBMUJFWSA-N 0 0 345.374 3.043 10 5 EGBERN C[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000872027703 1296675219 /nfs/dbraw/zinc/67/52/19/1296675219.db2.gz LKUZWNWRCHKDDX-STQMWFEESA-N 0 0 345.374 3.089 10 5 EGBERN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872044870 1296693702 /nfs/dbraw/zinc/69/37/02/1296693702.db2.gz GTRGFYFVJKADBK-ZANVPECISA-N 0 0 340.301 3.396 10 5 EGBERN COc1ccccc1[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046278 1296696939 /nfs/dbraw/zinc/69/69/39/1296696939.db2.gz WAXCRAJXYWVILD-BXUZGUMPSA-N 0 0 334.347 3.127 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000872085022 1296725754 /nfs/dbraw/zinc/72/57/54/1296725754.db2.gz MLSVJPPTUBFQQX-NRUUGDAUSA-N 0 0 333.417 3.265 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCCc2cccnc21 ZINC000872294061 1296901131 /nfs/dbraw/zinc/90/11/31/1296901131.db2.gz SKFBPFQHLLPFOQ-UHFFFAOYSA-N 0 0 333.294 3.251 10 5 EGBERN CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000312216798 1297115565 /nfs/dbraw/zinc/11/55/65/1297115565.db2.gz WIISUHOZQIQOJQ-UHFFFAOYSA-N 0 0 342.193 3.015 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000875348203 1298304515 /nfs/dbraw/zinc/30/45/15/1298304515.db2.gz GDGRGXLHERAWLO-YCPHGPKFSA-N 0 0 349.456 3.440 10 5 EGBERN Cc1c(NCc2cn(C)nc2[N+](=O)[O-])cccc1OCC(F)(F)F ZINC000876857442 1299036655 /nfs/dbraw/zinc/03/66/55/1299036655.db2.gz RHGOELHEAHWIEZ-UHFFFAOYSA-N 0 0 344.293 3.190 10 5 EGBERN CC1(C)CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000879363653 1300502709 /nfs/dbraw/zinc/50/27/09/1300502709.db2.gz CBPJARBUATYGHH-LLVKDONJSA-N 0 0 334.372 3.065 10 5 EGBERN CC(=O)c1c(NC[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000882007680 1301783022 /nfs/dbraw/zinc/78/30/22/1301783022.db2.gz LVEJTIDRWXHEAN-OAHLLOKOSA-N 0 0 328.368 3.376 10 5 EGBERN CC(=O)c1c(NCCCc2c(C)nn(C)c2C)cccc1[N+](=O)[O-] ZINC000882160175 1301853831 /nfs/dbraw/zinc/85/38/31/1301853831.db2.gz MNKWRWPFUDTOLA-UHFFFAOYSA-N 0 0 330.388 3.192 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000882437891 1301965284 /nfs/dbraw/zinc/96/52/84/1301965284.db2.gz WIYHMQQIQQUOMX-GOSISDBHSA-N 0 0 348.399 3.356 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000882445968 1301969546 /nfs/dbraw/zinc/96/95/46/1301969546.db2.gz AJZSSFJPYHUYPZ-QMTHXVAHSA-N 0 0 326.780 3.183 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000882638819 1302042616 /nfs/dbraw/zinc/04/26/16/1302042616.db2.gz HBIDFLHMYKJJBW-MWLCHTKSSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000882718646 1302076371 /nfs/dbraw/zinc/07/63/71/1302076371.db2.gz KZRXZNNUUWTACD-NOZJJQNGSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c([N+](=O)[O-])c1 ZINC000884700485 1302957077 /nfs/dbraw/zinc/95/70/77/1302957077.db2.gz RGWXBOVRPULZPO-KSBHJAGGSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C\C(=O)N1CCC(O)(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000884981446 1303018306 /nfs/dbraw/zinc/01/83/06/1303018306.db2.gz PMNIVRPWMGEMCY-BUHFOSPRSA-N 0 0 344.411 3.152 10 5 EGBERN C/C(=C/C(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000885473509 1303154464 /nfs/dbraw/zinc/15/44/64/1303154464.db2.gz HHNNUCLZEXILET-LOFSFJRBSA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887482836 1303814697 /nfs/dbraw/zinc/81/46/97/1303814697.db2.gz YDUYPTNBWDFKSP-IYKCHKFDSA-N 0 0 330.384 3.072 10 5 EGBERN COC(=O)c1cc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000890197544 1304705107 /nfs/dbraw/zinc/70/51/07/1304705107.db2.gz FBHHBQYRKOMSLU-AAEUAGOBSA-N 0 0 332.356 3.065 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC=C(Br)C2)c1C ZINC000890406351 1304777649 /nfs/dbraw/zinc/77/76/49/1304777649.db2.gz DNTKEZHCQQTCSA-UHFFFAOYSA-N 0 0 339.189 3.336 10 5 EGBERN C/C(=C/C(=O)N1CC(Cc2ccoc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000890573593 1304821645 /nfs/dbraw/zinc/82/16/45/1304821645.db2.gz XEZNPJVGHTWONI-JYRVWZFOSA-N 0 0 326.352 3.292 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1c(C)nn(C)c1C ZINC000893320659 1305827130 /nfs/dbraw/zinc/82/71/30/1305827130.db2.gz BWUQAVLDPXXHMN-LUAWRHEFSA-N 0 0 329.356 3.092 10 5 EGBERN C/C(=C\C(=O)OCc1c(C)nn(C)c1C)c1ccc([N+](=O)[O-])cc1 ZINC000893322693 1305829444 /nfs/dbraw/zinc/82/94/44/1305829444.db2.gz YAPRSDSRESODIE-PKNBQFBNSA-N 0 0 329.356 3.092 10 5 EGBERN COc1cc(C(=O)OC[C@H](C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000893512632 1305942038 /nfs/dbraw/zinc/94/20/38/1305942038.db2.gz LUWTVSHOENOFOE-HZMBPMFUSA-N 0 0 341.335 3.105 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000893667722 1306020504 /nfs/dbraw/zinc/02/05/04/1306020504.db2.gz XHFCNBXTIBJJLA-SFHVURJKSA-N 0 0 325.368 3.450 10 5 EGBERN CCc1[nH]c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000894370894 1306363257 /nfs/dbraw/zinc/36/32/57/1306363257.db2.gz QWOYEUFAISUAMY-NSHDSACASA-N 0 0 331.372 3.123 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000894664090 1309010825 /nfs/dbraw/zinc/01/08/25/1309010825.db2.gz FLNVRFFDUTYMOE-QGZVFWFLSA-N 0 0 348.399 3.073 10 5 EGBERN C[C@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000894664109 1309011368 /nfs/dbraw/zinc/01/13/68/1309011368.db2.gz UVBZWWQAQPEEQO-SFHVURJKSA-N 0 0 346.427 3.383 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC=CCC2)cc1OC ZINC000895209373 1309240375 /nfs/dbraw/zinc/24/03/75/1309240375.db2.gz WKQXZKVDYCNCHS-UHFFFAOYSA-N 0 0 334.372 3.231 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000895445062 1309339123 /nfs/dbraw/zinc/33/91/23/1309339123.db2.gz HNKVLTORFBUELP-GXFFZTMASA-N 0 0 332.278 3.319 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000895447476 1309341763 /nfs/dbraw/zinc/34/17/63/1309341763.db2.gz ZOTSOLFQTIWODS-GWCFXTLKSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(C3CSC3)no2)ccc1OC(F)F ZINC000896728023 1309990074 /nfs/dbraw/zinc/99/00/74/1309990074.db2.gz AQAFFHQRBNIVJW-UHFFFAOYSA-N 0 0 329.284 3.077 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1C ZINC000896965981 1310110008 /nfs/dbraw/zinc/11/00/08/1310110008.db2.gz KPHABAGEMCWSLA-OAHLLOKOSA-N 0 0 346.408 3.487 10 5 EGBERN Cc1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000898067017 1310573087 /nfs/dbraw/zinc/57/30/87/1310573087.db2.gz XEDMSIXNIAPQTO-UHFFFAOYSA-N 0 0 348.790 3.070 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898406031 1310719220 /nfs/dbraw/zinc/71/92/20/1310719220.db2.gz PHGIEPIUAASNJT-GOSISDBHSA-N 0 0 337.379 3.286 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CC[C@@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000929227438 1328543096 /nfs/dbraw/zinc/54/30/96/1328543096.db2.gz GHBYSDJHCWVAHX-NEPJUHHUSA-N 0 0 334.372 3.210 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000857600349 1328560551 /nfs/dbraw/zinc/56/05/51/1328560551.db2.gz YTUGEXLZONGTMN-PSASIEDQSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1ncccc1[C@@H](C)OC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000857664592 1328578983 /nfs/dbraw/zinc/57/89/83/1328578983.db2.gz GJPRVQXAIBUTCC-SNVBAGLBSA-N 0 0 336.294 3.423 10 5 EGBERN Cn1cccc1[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929552317 1328633063 /nfs/dbraw/zinc/63/30/63/1328633063.db2.gz KJEHARWXMLWMPH-KRWDZBQOSA-N 0 0 345.374 3.369 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000899526137 1317073378 /nfs/dbraw/zinc/07/33/78/1317073378.db2.gz QOULBWUFSDQXRL-GFCCVEGCSA-N 0 0 346.774 3.058 10 5 EGBERN Cc1ccc(CN(CCCC(C)C)C(=O)c2c([N+](=O)[O-])cnn2C)o1 ZINC000899783355 1317155821 /nfs/dbraw/zinc/15/58/21/1317155821.db2.gz WSHNPUIQVUSUMQ-UHFFFAOYSA-N 0 0 348.403 3.308 10 5 EGBERN CC(C)C[C@H](NCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000899911659 1317199744 /nfs/dbraw/zinc/19/97/44/1317199744.db2.gz UIFYSZBYPLQTAJ-LBPRGKRZSA-N 0 0 333.310 3.100 10 5 EGBERN CN(CCNC(=O)OC(C)(C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000858566331 1328796478 /nfs/dbraw/zinc/79/64/78/1328796478.db2.gz QZRODXNEESPSIH-UHFFFAOYSA-N 0 0 346.387 3.104 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000913379673 1319017576 /nfs/dbraw/zinc/01/75/76/1319017576.db2.gz IMOIMTDSUOXWTD-UHFFFAOYSA-N 0 0 325.368 3.353 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(c2ccccn2)C1 ZINC000913380506 1319018241 /nfs/dbraw/zinc/01/82/41/1319018241.db2.gz RDJWQHREGAVRRZ-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000913382853 1319019158 /nfs/dbraw/zinc/01/91/58/1319019158.db2.gz VTRYOCGGJRRLJW-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC000913385144 1319020142 /nfs/dbraw/zinc/02/01/42/1319020142.db2.gz RCPAGAWAWISJRX-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN CC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC(=O)CC1 ZINC000913386242 1319021551 /nfs/dbraw/zinc/02/15/51/1319021551.db2.gz RLBUSXWTVPNLLP-UHFFFAOYSA-N 0 0 342.754 3.153 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913668403 1319091959 /nfs/dbraw/zinc/09/19/59/1319091959.db2.gz ZFOJZBRVNWTOOT-RISCZKNCSA-N 0 0 340.807 3.207 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1 ZINC000858613520 1328809839 /nfs/dbraw/zinc/80/98/39/1328809839.db2.gz YSPSMDMBJLQXMO-ZDUSSCGKSA-N 0 0 348.378 3.106 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000858644749 1328815499 /nfs/dbraw/zinc/81/54/99/1328815499.db2.gz FDGYHKWTKHKUCI-HYXAFXHYSA-N 0 0 336.241 3.093 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000914238219 1319274053 /nfs/dbraw/zinc/27/40/53/1319274053.db2.gz APXXKLOFAUOHQX-YLQAJVPDSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000914238218 1319274184 /nfs/dbraw/zinc/27/41/84/1319274184.db2.gz APXXKLOFAUOHQX-XGWLTEMNSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1sc(C(=O)OCCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000915236091 1319450731 /nfs/dbraw/zinc/45/07/31/1319450731.db2.gz BZDAEHWCQPFVIK-UHFFFAOYSA-N 0 0 325.317 3.340 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)CN1C(=O)OC(C)(C)C ZINC000858779856 1328858499 /nfs/dbraw/zinc/85/84/99/1328858499.db2.gz DTIYFJNORIDOHQ-NXEZZACHSA-N 0 0 342.421 3.251 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000858837046 1328872161 /nfs/dbraw/zinc/87/21/61/1328872161.db2.gz KNEVBVPKDYSZOT-GFCCVEGCSA-N 0 0 332.331 3.442 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000859432622 1328986402 /nfs/dbraw/zinc/98/64/02/1328986402.db2.gz YLBFAARKOGMYMN-VUDBWIFFSA-N 0 0 330.431 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000930861183 1328990500 /nfs/dbraw/zinc/99/05/00/1328990500.db2.gz ADZNZBPVVWAYKD-CZUORRHYSA-N 0 0 333.388 3.291 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccnn1C ZINC000930862182 1328990568 /nfs/dbraw/zinc/99/05/68/1328990568.db2.gz JMSGOMLXCRYCFR-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN CC(C)COc1ccc(COC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000920006939 1322127559 /nfs/dbraw/zinc/12/75/59/1322127559.db2.gz HEMRQERMLNJXLK-UHFFFAOYSA-N 0 0 332.356 3.325 10 5 EGBERN Cc1nn(C)c(C(=O)OCc2csc3ccccc23)c1[N+](=O)[O-] ZINC000920821928 1322225940 /nfs/dbraw/zinc/22/59/40/1322225940.db2.gz ARYTURKEMDUULY-UHFFFAOYSA-N 0 0 331.353 3.208 10 5 EGBERN Cc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 ZINC000920901403 1322233189 /nfs/dbraw/zinc/23/31/89/1322233189.db2.gz RSWSBCRJIDPDSX-UHFFFAOYSA-N 0 0 338.319 3.424 10 5 EGBERN O=C(NC[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859538985 1329012127 /nfs/dbraw/zinc/01/21/27/1329012127.db2.gz KIBNSYIVIWPZHM-DYVFJYSZSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000921805377 1322400833 /nfs/dbraw/zinc/40/08/33/1322400833.db2.gz DJKSUNOLHIVBRF-FPRZBMBHSA-N 0 0 337.379 3.293 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000922227991 1322482998 /nfs/dbraw/zinc/48/29/98/1322482998.db2.gz AJGPCHHXQVRGOG-JTQLQIEISA-N 0 0 342.754 3.219 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])cc1F ZINC000922372795 1322512079 /nfs/dbraw/zinc/51/20/79/1322512079.db2.gz GWWZJBDUGLJWFN-KWQFWETISA-N 0 0 337.225 3.001 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922520147 1322547745 /nfs/dbraw/zinc/54/77/45/1322547745.db2.gz HSKZQKYQQYUVHE-CHWSQXEVSA-N 0 0 347.289 3.181 10 5 EGBERN Cc1ccccc1SC[C@@H](C)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859622532 1329037789 /nfs/dbraw/zinc/03/77/89/1329037789.db2.gz LVJJJGGDAHKHKP-NSHDSACASA-N 0 0 349.412 3.222 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(F)c1 ZINC000859640098 1329042532 /nfs/dbraw/zinc/04/25/32/1329042532.db2.gz QJWMHHLSQUANEA-AWEZNQCLSA-N 0 0 332.331 3.441 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923344772 1322738327 /nfs/dbraw/zinc/73/83/27/1322738327.db2.gz JDQAREOPEGPPIQ-UXIGCNINSA-N 0 0 335.404 3.301 10 5 EGBERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCc1ccccc1[N+](=O)[O-] ZINC000923721767 1322797327 /nfs/dbraw/zinc/79/73/27/1322797327.db2.gz MPYGWFMHIREGKM-CMPLNLGQSA-N 0 0 333.262 3.138 10 5 EGBERN Cc1cnc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC000923783487 1322808439 /nfs/dbraw/zinc/80/84/39/1322808439.db2.gz KCOUJFYAZVIYJC-UHFFFAOYSA-N 0 0 330.340 3.233 10 5 EGBERN Cc1cc(Cc2noc(-c3ccnn3C3CCC3)n2)ccc1[N+](=O)[O-] ZINC000923946527 1322852648 /nfs/dbraw/zinc/85/26/48/1322852648.db2.gz OZQDNCBFVRAOLY-UHFFFAOYSA-N 0 0 339.355 3.466 10 5 EGBERN Cc1cc(Cc2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)ccc1[N+](=O)[O-] ZINC000923946659 1322853522 /nfs/dbraw/zinc/85/35/22/1322853522.db2.gz QNWSYDRZWKBGRB-ZBFHGGJFSA-N 0 0 343.383 3.377 10 5 EGBERN C[C@H]1C[C@H](COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000923962600 1322857068 /nfs/dbraw/zinc/85/70/68/1322857068.db2.gz PPPOTQSSOFFBBM-NWDGAFQWSA-N 0 0 325.336 3.025 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1cc(C2CC2)no1 ZINC000923963730 1322857537 /nfs/dbraw/zinc/85/75/37/1322857537.db2.gz VOKWEYWJTZNWIS-UHFFFAOYSA-N 0 0 334.303 3.275 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000923997182 1322868044 /nfs/dbraw/zinc/86/80/44/1322868044.db2.gz IISMFTBZUOISQI-DOMZBBRYSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCc1coc(C2CC2)n1 ZINC000924238660 1322948422 /nfs/dbraw/zinc/94/84/22/1322948422.db2.gz DAHYXXWSHLGYDT-UHFFFAOYSA-N 0 0 336.731 3.400 10 5 EGBERN Cn1c(-c2nc(CC3CCC(F)(F)CC3)no2)ccc1[N+](=O)[O-] ZINC000924263061 1322956538 /nfs/dbraw/zinc/95/65/38/1322956538.db2.gz YCOKLBOMIWVOFD-UHFFFAOYSA-N 0 0 326.303 3.351 10 5 EGBERN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)n1 ZINC000924950968 1323225774 /nfs/dbraw/zinc/22/57/74/1323225774.db2.gz BBGXMRGJSGSHAM-AWEZNQCLSA-N 0 0 331.372 3.248 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H]2COCC[C@@H]21 ZINC000860000656 1329125237 /nfs/dbraw/zinc/12/52/37/1329125237.db2.gz NMHMDHNHICTGEI-KSSFIOAISA-N 0 0 340.379 3.389 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860070381 1329140396 /nfs/dbraw/zinc/14/03/96/1329140396.db2.gz USOSYDHQAIDPSB-GFCCVEGCSA-N 0 0 325.336 3.371 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931627290 1329156465 /nfs/dbraw/zinc/15/64/65/1329156465.db2.gz YZELMZPIIOFSGF-VIFPVBQESA-N 0 0 329.784 3.492 10 5 EGBERN C[C@@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860179196 1329168208 /nfs/dbraw/zinc/16/82/08/1329168208.db2.gz HVXRHHKGHBKCTI-NEPJUHHUSA-N 0 0 332.356 3.045 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925502046 1325181268 /nfs/dbraw/zinc/18/12/68/1325181268.db2.gz FECJQRMMEYNXMJ-LBPRGKRZSA-N 0 0 335.404 3.082 10 5 EGBERN CCC1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860498209 1329324365 /nfs/dbraw/zinc/32/43/65/1329324365.db2.gz UBRRJJVGBSQDKR-UHFFFAOYSA-N 0 0 342.395 3.373 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000860702494 1329346266 /nfs/dbraw/zinc/34/62/66/1329346266.db2.gz RDFIOJFJERUCLZ-QMMMGPOBSA-N 0 0 334.706 3.092 10 5 EGBERN C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO[C@@H]1C1CC1 ZINC000860779506 1329354461 /nfs/dbraw/zinc/35/44/61/1329354461.db2.gz DBLKEMKQIJMPAR-MJGOQNOKSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927427548 1328022228 /nfs/dbraw/zinc/02/22/28/1328022228.db2.gz AISANYOAHKFJRV-CJNGLKHVSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000927431940 1328023992 /nfs/dbraw/zinc/02/39/92/1328023992.db2.gz VMUZUNDONRYOJO-XJKSGUPXSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccc2c1CCCC2 ZINC000927615974 1328080231 /nfs/dbraw/zinc/08/02/31/1328080231.db2.gz SHJVIRYUJLDILG-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN C[C@H](C(=O)NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])cc1F ZINC000928148430 1328216770 /nfs/dbraw/zinc/21/67/70/1328216770.db2.gz DDBWVQZDZCYHTR-ZETCQYMHSA-N 0 0 343.261 3.079 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H]2COC(C)(C)C)ccc1[N+](=O)[O-] ZINC000928235963 1328247545 /nfs/dbraw/zinc/24/75/45/1328247545.db2.gz COUCVPRHSNENCL-CYBMUJFWSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000928238795 1328249312 /nfs/dbraw/zinc/24/93/12/1328249312.db2.gz ZRQGULLOPPKYKY-OAHLLOKOSA-N 0 0 334.416 3.252 10 5 EGBERN C[C@@H](NC(=O)C[C@@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000928247575 1328253958 /nfs/dbraw/zinc/25/39/58/1328253958.db2.gz YETXIEGUBGVOTD-PXAZEXFGSA-N 0 0 326.352 3.434 10 5 EGBERN Cc1cc(CO)cc(C)c1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000928464173 1328327009 /nfs/dbraw/zinc/32/70/09/1328327009.db2.gz QYFQDWCWQGGGMU-UHFFFAOYSA-N 0 0 346.358 3.081 10 5 EGBERN O=C(COCC1CC1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445196 1329418908 /nfs/dbraw/zinc/41/89/08/1329418908.db2.gz XZQUWVYSUKHTQP-ZDUSSCGKSA-N 0 0 333.262 3.168 10 5 EGBERN COc1cnc(F)c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000861580780 1329427838 /nfs/dbraw/zinc/42/78/38/1329427838.db2.gz WHAVUUUUHVTMOB-UHFFFAOYSA-N 0 0 348.334 3.194 10 5 EGBERN Nc1ccc(NC(=O)C2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000861748687 1329439216 /nfs/dbraw/zinc/43/92/16/1329439216.db2.gz QSWUQOGORKNEEF-UHFFFAOYSA-N 0 0 325.368 3.311 10 5 EGBERN O=C(NCCO[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861783666 1329441382 /nfs/dbraw/zinc/44/13/82/1329441382.db2.gz JCGMXCHMOHFKQH-QGZVFWFLSA-N 0 0 344.367 3.021 10 5 EGBERN CC(=O)CCCCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000862074988 1329457273 /nfs/dbraw/zinc/45/72/73/1329457273.db2.gz HIPWKBATIWXQOI-UHFFFAOYSA-N 0 0 331.372 3.345 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncco2)CC1 ZINC000862108596 1329459077 /nfs/dbraw/zinc/45/90/77/1329459077.db2.gz FJCINWTTZKNCRC-OUKQBFOZSA-N 0 0 341.367 3.392 10 5 EGBERN CC1(C)CCC[C@@H]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000862363958 1329478193 /nfs/dbraw/zinc/47/81/93/1329478193.db2.gz XXPYHJBWDDZLSP-CQSZACIVSA-N 0 0 348.399 3.119 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862393410 1329482017 /nfs/dbraw/zinc/48/20/17/1329482017.db2.gz RHKDVNKXYSAGNP-VIFPVBQESA-N 0 0 347.198 3.448 10 5 EGBERN COCCC1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000862429169 1329485874 /nfs/dbraw/zinc/48/58/74/1329485874.db2.gz CIHGKRVCWWRUNC-BUHFOSPRSA-N 0 0 332.400 3.273 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862436141 1329486833 /nfs/dbraw/zinc/48/68/33/1329486833.db2.gz YDBFNNBMUCYYGT-UHFFFAOYSA-N 0 0 348.712 3.290 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000862845215 1329514637 /nfs/dbraw/zinc/51/46/37/1329514637.db2.gz GIVKVSYYNXUWFN-OTIVFRFGSA-N 0 0 332.400 3.056 10 5 EGBERN CCOC(=O)C1=CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000862879135 1329517336 /nfs/dbraw/zinc/51/73/36/1329517336.db2.gz QDTIUFGLYCOZNN-AWEZNQCLSA-N 0 0 346.383 3.100 10 5 EGBERN Cc1cnc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 ZINC000863395568 1329551757 /nfs/dbraw/zinc/55/17/57/1329551757.db2.gz DKESLFGJHXOXQY-UHFFFAOYSA-N 0 0 349.368 3.123 10 5 EGBERN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000863603987 1329566216 /nfs/dbraw/zinc/56/62/16/1329566216.db2.gz QHPKSANVGCOLBN-LLVKDONJSA-N 0 0 334.401 3.121 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000863604674 1329566222 /nfs/dbraw/zinc/56/62/22/1329566222.db2.gz ZEKHJWTXWQDEMU-UWVGGRQHSA-N 0 0 337.426 3.409 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCCC2(CC2)CC1 ZINC000863641036 1329569929 /nfs/dbraw/zinc/56/99/29/1329569929.db2.gz WNIYDDBVLYTNLD-UHFFFAOYSA-N 0 0 349.362 3.099 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC1CCCC1 ZINC000864824314 1329644977 /nfs/dbraw/zinc/64/49/77/1329644977.db2.gz AACGWPMDYFQJMA-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN CC1(C)CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865152251 1329673483 /nfs/dbraw/zinc/67/34/83/1329673483.db2.gz KIKBMBHKERQCSS-UHFFFAOYSA-N 0 0 341.205 3.301 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCc3ccc(F)c(F)c3C2)cc1F ZINC000865622904 1329721652 /nfs/dbraw/zinc/72/16/52/1329721652.db2.gz GALOBAJMKNURPK-UHFFFAOYSA-N 0 0 338.285 3.067 10 5 EGBERN CS(=O)(=O)CC1(CCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865932146 1329752554 /nfs/dbraw/zinc/75/25/54/1329752554.db2.gz OTLZLZRFOBCGLP-UHFFFAOYSA-N 0 0 348.371 3.159 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(Cc3nccs3)CC2)nc2ccccn21 ZINC000866023498 1329759922 /nfs/dbraw/zinc/75/99/22/1329759922.db2.gz RZXRHCRSWTUIFU-UHFFFAOYSA-N 0 0 343.412 3.158 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1c(C)cccc1[N+](=O)[O-])CC2 ZINC000866040529 1330058386 /nfs/dbraw/zinc/05/83/86/1330058386.db2.gz ZKPALILYIKIKOK-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000866040355 1330058460 /nfs/dbraw/zinc/05/84/60/1330058460.db2.gz SELVEMZPNSWKCQ-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN CCC(CC)(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000866135336 1330069047 /nfs/dbraw/zinc/06/90/47/1330069047.db2.gz UMOWNRJQUMPNLO-UHFFFAOYSA-N 0 0 333.310 3.474 10 5 EGBERN COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)C2 ZINC000866170193 1330073095 /nfs/dbraw/zinc/07/30/95/1330073095.db2.gz NCKHNUJPOTXIHD-OLBFVZFUSA-N 0 0 326.299 3.286 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CC4(CO3)CCOCC4)c2c1 ZINC000866174456 1330073363 /nfs/dbraw/zinc/07/33/63/1330073363.db2.gz LDTMELUIJNBIOQ-OAHLLOKOSA-N 0 0 343.383 3.141 10 5 EGBERN Cc1cncc([C@@H]2CCCN2c2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000866275873 1330089399 /nfs/dbraw/zinc/08/93/99/1330089399.db2.gz IMTIHGZPLQOFFW-HNNXBMFYSA-N 0 0 331.347 3.271 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000866979946 1330162939 /nfs/dbraw/zinc/16/29/39/1330162939.db2.gz RBSHANIDFBATQA-VIFPVBQESA-N 0 0 341.205 3.205 10 5 EGBERN COc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000867324524 1330193882 /nfs/dbraw/zinc/19/38/82/1330193882.db2.gz FHCWKIJYWKVBDR-HNNXBMFYSA-N 0 0 334.372 3.281 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000868043288 1330243550 /nfs/dbraw/zinc/24/35/50/1330243550.db2.gz DHUPADYBYUYSEM-GFCCVEGCSA-N 0 0 333.413 3.395 10 5 EGBERN Cc1cncc([C@@H]2CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000868160038 1330256734 /nfs/dbraw/zinc/25/67/34/1330256734.db2.gz BXBPSEYXWPANOI-KRWDZBQOSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000868342907 1330272545 /nfs/dbraw/zinc/27/25/45/1330272545.db2.gz ZSKNGMLOHSPKOW-CFVMTHIKSA-N 0 0 349.456 3.359 10 5 EGBERN Cc1ccc(CNC(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000868690427 1330316118 /nfs/dbraw/zinc/31/61/18/1330316118.db2.gz AJJSSFRYXSKBPU-UHFFFAOYSA-N 0 0 327.331 3.138 10 5 EGBERN CC[C@@H]1C[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868701961 1330318737 /nfs/dbraw/zinc/31/87/37/1330318737.db2.gz DFJLLBRUTAMRPZ-MNOVXSKESA-N 0 0 341.205 3.062 10 5 EGBERN Cc1ccc(CNC(=O)N2C[C@@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000869054353 1330404178 /nfs/dbraw/zinc/40/41/78/1330404178.db2.gz KGMNFYKVPZNFSG-CQSZACIVSA-N 0 0 347.415 3.146 10 5 EGBERN CC(C)(C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000869713252 1330550867 /nfs/dbraw/zinc/55/08/67/1330550867.db2.gz VXISBALAPZMLIX-AWEZNQCLSA-N 0 0 325.336 3.372 10 5 EGBERN CN(CCC(F)(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001118575389 1371201204 /nfs/dbraw/zinc/20/12/04/1371201204.db2.gz AHYFIEIEUKFEKM-UHFFFAOYSA-N 0 0 340.689 3.247 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCOc1ccc(Cl)cn1)CCCC2 ZINC001185775348 1387796079 /nfs/dbraw/zinc/79/60/79/1387796079.db2.gz KUXJRGAGKYIZET-UHFFFAOYSA-N 0 0 348.790 3.408 10 5 EGBERN Cc1cnc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001105436141 1366467504 /nfs/dbraw/zinc/46/75/04/1366467504.db2.gz VAXURVOMGYNXPZ-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN COC(=O)CN(CCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001185957447 1387836444 /nfs/dbraw/zinc/83/64/44/1387836444.db2.gz HRPZWZDELBEKOK-UHFFFAOYSA-N 0 0 348.786 3.470 10 5 EGBERN COc1cc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccc1OC(C)C ZINC001186044550 1387854714 /nfs/dbraw/zinc/85/47/14/1387854714.db2.gz YODBXLGJVBRFKP-UHFFFAOYSA-N 0 0 345.355 3.233 10 5 EGBERN CN1CCCN(Cc2cccnc2[N+](=O)[O-])c2cc(Cl)ccc21 ZINC001191616544 1367544414 /nfs/dbraw/zinc/54/44/14/1367544414.db2.gz COWIQZHDLCPUPX-UHFFFAOYSA-N 0 0 332.791 3.490 10 5 EGBERN C[C@H]1CCCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193576146 1368065665 /nfs/dbraw/zinc/06/56/65/1368065665.db2.gz YWERXWQJRGBFRD-NSHDSACASA-N 0 0 325.796 3.451 10 5 EGBERN CCNC(=O)C1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCC1 ZINC001186315868 1387920752 /nfs/dbraw/zinc/92/07/52/1387920752.db2.gz KWGGCFAMSGCZOH-UHFFFAOYSA-N 0 0 345.321 3.332 10 5 EGBERN COC1(CNc2nn(C)cc2[N+](=O)[O-])CCC(c2ccccc2)CC1 ZINC001186387282 1387932278 /nfs/dbraw/zinc/93/22/78/1387932278.db2.gz CTFGZXTXZKLOGM-UHFFFAOYSA-N 0 0 344.415 3.483 10 5 EGBERN COc1cc(COC(=O)[C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1F ZINC001325915646 1388078934 /nfs/dbraw/zinc/07/89/34/1388078934.db2.gz GLUXLIWFGLOTDU-MWLCHTKSSA-N 0 0 329.299 3.314 10 5 EGBERN COc1cc(COC(=O)[C@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1F ZINC001325915642 1388079162 /nfs/dbraw/zinc/07/91/62/1388079162.db2.gz GLUXLIWFGLOTDU-GXSJLCMTSA-N 0 0 329.299 3.314 10 5 EGBERN Cc1nocc1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001187270082 1388083278 /nfs/dbraw/zinc/08/32/78/1388083278.db2.gz AVIPOBHCWKGYNF-UHFFFAOYSA-N 0 0 340.339 3.477 10 5 EGBERN CN1C(=O)c2ccccc2[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001187306384 1388092200 /nfs/dbraw/zinc/09/22/00/1388092200.db2.gz SLCRARKKUZHQAL-INIZCTEOSA-N 0 0 348.362 3.382 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1ccsc1 ZINC001115935020 1370807924 /nfs/dbraw/zinc/80/79/24/1370807924.db2.gz XPDYFRLTJVIILW-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001117742791 1371072130 /nfs/dbraw/zinc/07/21/30/1371072130.db2.gz YKTSXUNXMHJUBC-YWXMQNBFSA-N 0 0 344.333 3.206 10 5 EGBERN Cn1ccnc1[C@H](NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001118430970 1371181016 /nfs/dbraw/zinc/18/10/16/1371181016.db2.gz LDVUBVCMPQNAHJ-CXOJTPOUSA-N 0 0 348.353 3.195 10 5 EGBERN Cn1cc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)c2cccnc21 ZINC001118930572 1371252183 /nfs/dbraw/zinc/25/21/83/1371252183.db2.gz MKGHNNUUHMYJLC-UHFFFAOYSA-N 0 0 337.383 3.104 10 5 EGBERN CSc1cnc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC001187615605 1388131023 /nfs/dbraw/zinc/13/10/23/1388131023.db2.gz NLPMMHHYNUMDSO-UHFFFAOYSA-N 0 0 344.400 3.028 10 5 EGBERN O=C(N[C@H]1CCCc2cccnc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119710216 1371392274 /nfs/dbraw/zinc/39/22/74/1371392274.db2.gz SWDMYTWYSYNVKV-INIZCTEOSA-N 0 0 338.367 3.093 10 5 EGBERN COc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])c(C)c1OC ZINC001187695123 1388145138 /nfs/dbraw/zinc/14/51/38/1388145138.db2.gz UCCSBTZPPMPQDG-UHFFFAOYSA-N 0 0 348.384 3.242 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC001187702012 1388146179 /nfs/dbraw/zinc/14/61/79/1388146179.db2.gz NEAAGUNTHBFCGP-NWDGAFQWSA-N 0 0 336.392 3.095 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC001187832718 1388174360 /nfs/dbraw/zinc/17/43/60/1388174360.db2.gz MFHDXYMGFWLUHX-AWEZNQCLSA-N 0 0 342.355 3.043 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC[C@@H]2CCOC2)c1 ZINC001326406518 1388179557 /nfs/dbraw/zinc/17/95/57/1388179557.db2.gz NEIQCQJSLZFGAG-NSHDSACASA-N 0 0 325.386 3.041 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001187897021 1388186279 /nfs/dbraw/zinc/18/62/79/1388186279.db2.gz KXFSPQLBJJVCPM-CVEARBPZSA-N 0 0 339.395 3.245 10 5 EGBERN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001187926948 1388192105 /nfs/dbraw/zinc/19/21/05/1388192105.db2.gz ZMNSVZDQIOIYQZ-SECBINFHSA-N 0 0 338.770 3.443 10 5 EGBERN CO[C@@]12CCC[C@]1(COC(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC001123228735 1372402276 /nfs/dbraw/zinc/40/22/76/1372402276.db2.gz CROOJCJEKZEJKK-QZTJIDSGSA-N 0 0 349.383 3.004 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001123238279 1372404432 /nfs/dbraw/zinc/40/44/32/1372404432.db2.gz FGNKUEIUNSNPCE-ZBFHGGJFSA-N 0 0 339.363 3.271 10 5 EGBERN C[C@@H](Cc1ccno1)OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001123463303 1372478509 /nfs/dbraw/zinc/47/85/09/1372478509.db2.gz VGILMFSQKMYJDL-JTQLQIEISA-N 0 0 338.747 3.343 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)CC1 ZINC001124006221 1372655139 /nfs/dbraw/zinc/65/51/39/1372655139.db2.gz FJHMNZKMDSNKJV-QGZVFWFLSA-N 0 0 344.342 3.338 10 5 EGBERN COc1nscc1CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001124058443 1372667511 /nfs/dbraw/zinc/66/75/11/1372667511.db2.gz MAPDNXCETHVCKJ-UHFFFAOYSA-N 0 0 349.412 3.456 10 5 EGBERN Cc1cnc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)s1 ZINC001124177719 1372681618 /nfs/dbraw/zinc/68/16/18/1372681618.db2.gz ILXXQADCAGDLJA-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001124193829 1372683076 /nfs/dbraw/zinc/68/30/76/1372683076.db2.gz NCZLIKMRAKBUDT-KGLIPLIRSA-N 0 0 326.308 3.066 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001124210272 1372683925 /nfs/dbraw/zinc/68/39/25/1372683925.db2.gz BSYIBBFKVPHKJF-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN Cc1ccc(C)c(C2=NO[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001124340494 1372693298 /nfs/dbraw/zinc/69/32/98/1372693298.db2.gz CQOCKALCDAUWBU-KRWDZBQOSA-N 0 0 339.351 3.343 10 5 EGBERN COc1ccc(NC(=O)Cc2cc(F)c(C)cc2F)c([N+](=O)[O-])c1 ZINC001124402787 1372699050 /nfs/dbraw/zinc/69/90/50/1372699050.db2.gz AHVQXHDIEPOCRB-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN O=C(c1ccnc(-c2ccco2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124642321 1372719468 /nfs/dbraw/zinc/71/94/68/1372719468.db2.gz JXSCYYBQIPECDP-UHFFFAOYSA-N 0 0 335.319 3.453 10 5 EGBERN O=C(C[C@H]1CSc2ccccc2O1)NCc1ccccc1[N+](=O)[O-] ZINC001125155415 1372757141 /nfs/dbraw/zinc/75/71/41/1372757141.db2.gz FSDLHPGYZMNZCN-ZDUSSCGKSA-N 0 0 344.392 3.154 10 5 EGBERN COCCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001125288490 1372766983 /nfs/dbraw/zinc/76/69/83/1372766983.db2.gz MTBJGOJJAPBCDD-UHFFFAOYSA-N 0 0 330.340 3.262 10 5 EGBERN COc1cc(C(=O)N(C)Cc2ccccc2F)c([N+](=O)[O-])cc1F ZINC001125293087 1372767596 /nfs/dbraw/zinc/76/75/96/1372767596.db2.gz WTCISCOIFHDIOT-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1F ZINC001125336913 1372771507 /nfs/dbraw/zinc/77/15/07/1372771507.db2.gz IWAVHTFEBNSFJG-LLVKDONJSA-N 0 0 346.240 3.063 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001125382035 1372778996 /nfs/dbraw/zinc/77/89/96/1372778996.db2.gz GSUBUABJSACUJS-UHFFFAOYSA-N 0 0 343.339 3.092 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC001125557706 1372806844 /nfs/dbraw/zinc/80/68/44/1372806844.db2.gz RJXRRCZMIQNJJI-UONOGXRCSA-N 0 0 331.299 3.452 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc2c1CCCC2 ZINC001125946018 1372897548 /nfs/dbraw/zinc/89/75/48/1372897548.db2.gz SUIDLEFKIFHNHA-UHFFFAOYSA-N 0 0 340.379 3.282 10 5 EGBERN Cc1c(F)cccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001126442709 1372965771 /nfs/dbraw/zinc/96/57/71/1372965771.db2.gz OMPIJKHFDQOVMW-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN CO[C@]1(C)C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001126448040 1372966559 /nfs/dbraw/zinc/96/65/59/1372966559.db2.gz CBJAJAANVVRTHT-CRAIPNDOSA-N 0 0 349.431 3.059 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2nccn2c1 ZINC001126532329 1372973066 /nfs/dbraw/zinc/97/30/66/1372973066.db2.gz LPZGQTXDRKMVPC-CYBMUJFWSA-N 0 0 338.367 3.350 10 5 EGBERN O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC001126648042 1372990524 /nfs/dbraw/zinc/99/05/24/1372990524.db2.gz OSGMQBYTMBZQKZ-OAHLLOKOSA-N 0 0 333.294 3.149 10 5 EGBERN O=C(Nc1cccc(Cl)n1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001126694800 1373000880 /nfs/dbraw/zinc/00/08/80/1373000880.db2.gz SQTPNFYYIOTVON-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc2cnccc2n1 ZINC001126880328 1373046397 /nfs/dbraw/zinc/04/63/97/1373046397.db2.gz SUMRHPQTIFBNMS-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CCC[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001126982703 1373062715 /nfs/dbraw/zinc/06/27/15/1373062715.db2.gz GBSVQLRWKSSYNH-CYBMUJFWSA-N 0 0 348.399 3.408 10 5 EGBERN C[C@]1(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001127272371 1373111024 /nfs/dbraw/zinc/11/10/24/1373111024.db2.gz NAUUQWCNQXWKCA-KRWDZBQOSA-N 0 0 331.299 3.380 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001127398149 1373123451 /nfs/dbraw/zinc/12/34/51/1373123451.db2.gz ZZHONZSQUCJZHT-UHFFFAOYSA-N 0 0 339.351 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CCCc3ccccc32)n1 ZINC001127494138 1373131809 /nfs/dbraw/zinc/13/18/09/1373131809.db2.gz MSUQBPUAWAAFGY-SFHVURJKSA-N 0 0 325.368 3.280 10 5 EGBERN CSc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)ccn1 ZINC001127609924 1373147962 /nfs/dbraw/zinc/14/79/62/1373147962.db2.gz FUXMKQGDRJKFNL-UHFFFAOYSA-N 0 0 349.437 3.364 10 5 EGBERN CC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(C)c(F)c1 ZINC001127733903 1373170484 /nfs/dbraw/zinc/17/04/84/1373170484.db2.gz QLQYIXNFCRZVFO-OAHLLOKOSA-N 0 0 335.335 3.323 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1nccc2cccnc21 ZINC001127864041 1373191799 /nfs/dbraw/zinc/19/17/99/1373191799.db2.gz HTIAJMGNKKFKCQ-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CC(=Cc1ccccn1)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001127967097 1373204302 /nfs/dbraw/zinc/20/43/02/1373204302.db2.gz DUAAFZCOLICUTI-XFXZXTDPSA-N 0 0 348.362 3.310 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ncc(Cl)cc1Cl ZINC001128630575 1373299134 /nfs/dbraw/zinc/29/91/34/1373299134.db2.gz VVXMZPVBAOTYRY-UHFFFAOYSA-N 0 0 340.166 3.269 10 5 EGBERN Cc1nc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC001128875346 1373319431 /nfs/dbraw/zinc/31/94/31/1373319431.db2.gz UYPZLMDDEJUXKS-UHFFFAOYSA-N 0 0 340.339 3.363 10 5 EGBERN CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC001216625685 1373323765 /nfs/dbraw/zinc/32/37/65/1373323765.db2.gz YBMWNPARDUTQTE-LLVKDONJSA-N 0 0 342.355 3.384 10 5 EGBERN Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1C(F)F ZINC001128951752 1373326964 /nfs/dbraw/zinc/32/69/64/1373326964.db2.gz QJZXKOVXGNEKJV-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ns2)cc1OC ZINC001129039184 1373339419 /nfs/dbraw/zinc/33/94/19/1373339419.db2.gz LHIYKIRXAFJWMH-UHFFFAOYSA-N 0 0 337.357 3.019 10 5 EGBERN CNC(=O)Oc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001129299819 1373369268 /nfs/dbraw/zinc/36/92/68/1373369268.db2.gz APISGDSFQHALMZ-UHFFFAOYSA-N 0 0 349.730 3.219 10 5 EGBERN CN(C)c1ccccc1CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001129595670 1373400903 /nfs/dbraw/zinc/40/09/03/1373400903.db2.gz QUZCZZUOVIASTN-UHFFFAOYSA-N 0 0 331.347 3.072 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CC1(C)C ZINC001129858583 1373429942 /nfs/dbraw/zinc/42/99/42/1373429942.db2.gz NOQNIWIFBBRTNW-STQMWFEESA-N 0 0 335.360 3.366 10 5 EGBERN CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC1(C)C ZINC001130045074 1373448537 /nfs/dbraw/zinc/44/85/37/1373448537.db2.gz JAWZFQVKOVOFMV-CVEARBPZSA-N 0 0 342.399 3.335 10 5 EGBERN CCOc1ccc(C(=O)Nc2cncc(SC)c2)cc1[N+](=O)[O-] ZINC001130060485 1373451427 /nfs/dbraw/zinc/45/14/27/1373451427.db2.gz KVKMFYAQQLLLHT-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN CC(C)Oc1cncc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001130301434 1373487632 /nfs/dbraw/zinc/48/76/32/1373487632.db2.gz OCOKJWWEERCTSM-UHFFFAOYSA-N 0 0 342.311 3.171 10 5 EGBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001130397449 1373519050 /nfs/dbraw/zinc/51/90/50/1373519050.db2.gz VHEADQZXCQDQLJ-URGYJCLVSA-N 0 0 332.400 3.305 10 5 EGBERN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130761058 1373589469 /nfs/dbraw/zinc/58/94/69/1373589469.db2.gz DMFOYARSOKYXLS-JQWIXIFHSA-N 0 0 327.340 3.087 10 5 EGBERN CCOc1cc(NC(=O)c2cnn(CC)c2CC)ccc1[N+](=O)[O-] ZINC001130798942 1373593219 /nfs/dbraw/zinc/59/32/19/1373593219.db2.gz OINVCUVYMAYZCH-UHFFFAOYSA-N 0 0 332.360 3.025 10 5 EGBERN O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC001130882807 1373602518 /nfs/dbraw/zinc/60/25/18/1373602518.db2.gz NKULBCWWZHJYEM-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN COc1csc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130954609 1373614894 /nfs/dbraw/zinc/61/48/94/1373614894.db2.gz FBVUNJFIEZRRHY-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001131509080 1373713538 /nfs/dbraw/zinc/71/35/38/1373713538.db2.gz ZTGPQLCRTZKVGY-INIZCTEOSA-N 0 0 346.770 3.120 10 5 EGBERN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1cnsn1 ZINC001188422762 1388306823 /nfs/dbraw/zinc/30/68/23/1388306823.db2.gz FDNPVZNCZIRCBZ-UHFFFAOYSA-N 0 0 340.433 3.231 10 5 EGBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1OC ZINC001131970164 1375075782 /nfs/dbraw/zinc/07/57/82/1375075782.db2.gz QVFAFXLHPKARAO-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC001132098899 1375147034 /nfs/dbraw/zinc/14/70/34/1375147034.db2.gz GNDBQPVANZIEDN-WDEREUQCSA-N 0 0 345.168 3.368 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(C[C@H]3CCCC34CCOCC4)n2)c1 ZINC001188726214 1388369222 /nfs/dbraw/zinc/36/92/22/1388369222.db2.gz POOSPEDCUDUVLT-OAHLLOKOSA-N 0 0 342.399 3.450 10 5 EGBERN COCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC001132617369 1375486765 /nfs/dbraw/zinc/48/67/65/1375486765.db2.gz MRKLOBHJYISMMP-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1cnn2ccccc12 ZINC001132654627 1375499732 /nfs/dbraw/zinc/49/97/32/1375499732.db2.gz XWRIQIVLMKXLOK-UHFFFAOYSA-N 0 0 339.351 3.145 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cscc1C(F)F ZINC001132750634 1375546222 /nfs/dbraw/zinc/54/62/22/1375546222.db2.gz YHACASDAAYGADF-UHFFFAOYSA-N 0 0 329.284 3.250 10 5 EGBERN COc1ccc(C(=O)N[C@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001132763928 1375552859 /nfs/dbraw/zinc/55/28/59/1375552859.db2.gz IHTRFAYSRPBPND-CYBMUJFWSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)n1 ZINC001132774553 1375556556 /nfs/dbraw/zinc/55/65/56/1375556556.db2.gz ALDDZAQWEQOREZ-GOEBONIOSA-N 0 0 329.331 3.054 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001132960058 1375674569 /nfs/dbraw/zinc/67/45/69/1375674569.db2.gz MYISGVWVZGQRBL-SNVBAGLBSA-N 0 0 333.319 3.270 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1coc2c1cccc2C ZINC001132963078 1375676499 /nfs/dbraw/zinc/67/64/99/1375676499.db2.gz RWGXTQZQMUYXCF-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cn1c2ccccc2nc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001133260249 1375876162 /nfs/dbraw/zinc/87/61/62/1375876162.db2.gz YVDNMSXFQAKDHG-ZIAGYGMSSA-N 0 0 336.351 3.224 10 5 EGBERN CO[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001133344186 1375933841 /nfs/dbraw/zinc/93/38/41/1375933841.db2.gz ROVNJPJYJHDCNE-BDJLRTHQSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@H](NC(=O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001133484814 1376034546 /nfs/dbraw/zinc/03/45/46/1376034546.db2.gz XNELULNMAZDDJK-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OC)c1OC ZINC001133486403 1376036225 /nfs/dbraw/zinc/03/62/25/1376036225.db2.gz FHHJPRIOJWTFLD-UHFFFAOYSA-N 0 0 346.339 3.263 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2c1cccc2F ZINC001133644963 1376133552 /nfs/dbraw/zinc/13/35/52/1376133552.db2.gz POHBQKBWRHAIGF-HNNXBMFYSA-N 0 0 332.306 3.219 10 5 EGBERN C[C@H](COCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001134120198 1376378314 /nfs/dbraw/zinc/37/83/14/1376378314.db2.gz IIOCZIGDMRXBON-LLVKDONJSA-N 0 0 326.418 3.372 10 5 EGBERN Cc1cc(C(=O)N[C@@]2(C)CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC001134265219 1376445264 /nfs/dbraw/zinc/44/52/64/1376445264.db2.gz CSXWADULAKEOFQ-SFHVURJKSA-N 0 0 326.352 3.331 10 5 EGBERN COc1cccc(F)c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001134495634 1376568958 /nfs/dbraw/zinc/56/89/58/1376568958.db2.gz MYLOSFLJGRBXBR-LLVKDONJSA-N 0 0 332.331 3.276 10 5 EGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001134495736 1376569139 /nfs/dbraw/zinc/56/91/39/1376569139.db2.gz PPXXEQPUIKCPGX-LLVKDONJSA-N 0 0 329.312 3.037 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC001135126628 1376919227 /nfs/dbraw/zinc/91/92/27/1376919227.db2.gz OVRWPISYOMOGIX-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCC2=O ZINC001135144584 1376933198 /nfs/dbraw/zinc/93/31/98/1376933198.db2.gz NNFWALSDMCNIEN-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN CCc1ccc(C(=O)Nc2nc3c(s2)CCCC3=O)cc1[N+](=O)[O-] ZINC001135144751 1376933511 /nfs/dbraw/zinc/93/35/11/1376933511.db2.gz VPNXOAOHWPYGIH-UHFFFAOYSA-N 0 0 345.380 3.385 10 5 EGBERN Cn1ncc(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)c1Cl ZINC001135225918 1376988100 /nfs/dbraw/zinc/98/81/00/1376988100.db2.gz JMYIHMWKSBIMKE-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN CCCCN(CC)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001135512436 1377123509 /nfs/dbraw/zinc/12/35/09/1377123509.db2.gz AFISHRPGFVNFMY-UHFFFAOYSA-N 0 0 344.209 3.202 10 5 EGBERN O=C(CCC(=O)c1c(F)cccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC001135674583 1377179804 /nfs/dbraw/zinc/17/98/04/1377179804.db2.gz VGABTMXFBMDMBB-UHFFFAOYSA-N 0 0 334.278 3.475 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001135744965 1377199722 /nfs/dbraw/zinc/19/97/22/1377199722.db2.gz YMSZCSYLVQESPU-SJORKVTESA-N 0 0 340.335 3.262 10 5 EGBERN CN(Cc1cccs1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136151747 1377358403 /nfs/dbraw/zinc/35/84/03/1377358403.db2.gz QYZWAMQVHBXOQL-UHFFFAOYSA-N 0 0 342.380 3.319 10 5 EGBERN O=C(c1ccnc(Cl)c1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC001136912988 1377439245 /nfs/dbraw/zinc/43/92/45/1377439245.db2.gz XBTYYBQUAHRZKJ-UHFFFAOYSA-N 0 0 338.150 3.500 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)CO2 ZINC001137330501 1377521076 /nfs/dbraw/zinc/52/10/76/1377521076.db2.gz QMORFZSSTDAZHB-LBPRGKRZSA-N 0 0 332.743 3.420 10 5 EGBERN CC(C)CSCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001138032369 1377668777 /nfs/dbraw/zinc/66/87/77/1377668777.db2.gz CLNNSGOBMGNQLK-UHFFFAOYSA-N 0 0 349.815 3.089 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC001139551387 1377904421 /nfs/dbraw/zinc/90/44/21/1377904421.db2.gz QKYPPSWFXFDIIB-HDJSIYSDSA-N 0 0 325.368 3.313 10 5 EGBERN CCOc1ccc(Cl)c(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC001141200416 1378267220 /nfs/dbraw/zinc/26/72/20/1378267220.db2.gz UYXDMVCCOLDLHI-UHFFFAOYSA-N 0 0 335.747 3.481 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(C2CC2)no1 ZINC001141720687 1378366094 /nfs/dbraw/zinc/36/60/94/1378366094.db2.gz STGQHTLGKUDRDX-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001141848417 1378384863 /nfs/dbraw/zinc/38/48/63/1378384863.db2.gz WFRYHSUUKGRSPH-VIFPVBQESA-N 0 0 343.387 3.000 10 5 EGBERN COc1ccc(CNC(=O)CCCc2nc(C)cs2)cc1[N+](=O)[O-] ZINC001141987368 1378400805 /nfs/dbraw/zinc/40/08/05/1378400805.db2.gz BZZXFOUXUUBRGK-UHFFFAOYSA-N 0 0 349.412 3.007 10 5 EGBERN C[C@@](Cc1ccccc1)(NC(=O)c1ccc([N+](=O)[O-])cc1N)C1CC1 ZINC001142357973 1378435634 /nfs/dbraw/zinc/43/56/34/1378435634.db2.gz ANDZBFUHXZISTF-IBGZPJMESA-N 0 0 339.395 3.318 10 5 EGBERN O=C(Nc1cc(-c2cccs2)[nH]n1)c1c(F)cccc1[N+](=O)[O-] ZINC001142853747 1378496042 /nfs/dbraw/zinc/49/60/42/1378496042.db2.gz MRSJDGIRAGBPFX-UHFFFAOYSA-N 0 0 332.316 3.438 10 5 EGBERN CCCc1cc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n[nH]1 ZINC001147171747 1378982150 /nfs/dbraw/zinc/98/21/50/1378982150.db2.gz YJJGODKWODRKIT-UHFFFAOYSA-N 0 0 339.355 3.258 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001148377860 1379159397 /nfs/dbraw/zinc/15/93/97/1379159397.db2.gz AZZPRXNHHHHIGA-INIZCTEOSA-N 0 0 347.321 3.336 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c3nc[nH]c3ccc2F)c1C ZINC001150361848 1379538395 /nfs/dbraw/zinc/53/83/95/1379538395.db2.gz YIOGHZAFNVXNTD-UHFFFAOYSA-N 0 0 342.330 3.157 10 5 EGBERN CCCC[C@@H](O)CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153130743 1380026828 /nfs/dbraw/zinc/02/68/28/1380026828.db2.gz HHSLTLQSLSOCOE-QGZVFWFLSA-N 0 0 334.416 3.417 10 5 EGBERN CCSc1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001153398439 1380070369 /nfs/dbraw/zinc/07/03/69/1380070369.db2.gz SYPGPPUDAFNYSV-INIZCTEOSA-N 0 0 346.408 3.057 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC001153517772 1380087935 /nfs/dbraw/zinc/08/79/35/1380087935.db2.gz BIRWOTKCWQUKJP-SECBINFHSA-N 0 0 349.416 3.049 10 5 EGBERN Cc1cc2cc[nH]c2cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001154395942 1380269312 /nfs/dbraw/zinc/26/93/12/1380269312.db2.gz WNHILDGTRKHMLO-MRXNPFEDSA-N 0 0 325.324 3.057 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001154430813 1380275519 /nfs/dbraw/zinc/27/55/19/1380275519.db2.gz ABSAUFAWIPVDOZ-SECBINFHSA-N 0 0 337.738 3.202 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC=CCC1 ZINC001154853385 1380366002 /nfs/dbraw/zinc/36/60/02/1380366002.db2.gz MILYLKWDPLYWSG-UHFFFAOYSA-N 0 0 342.399 3.266 10 5 EGBERN CCCCOc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cn1 ZINC001155158769 1380417469 /nfs/dbraw/zinc/41/74/69/1380417469.db2.gz HQMIRDBYLNFBSB-UHFFFAOYSA-N 0 0 347.346 3.489 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCCC3(CC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001156993353 1380745678 /nfs/dbraw/zinc/74/56/78/1380745678.db2.gz BLBQTISCRAXKQM-QMMMGPOBSA-N 0 0 341.770 3.422 10 5 EGBERN CCNc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cn1 ZINC001157976848 1381091612 /nfs/dbraw/zinc/09/16/12/1381091612.db2.gz ZRKZUFJIYXGUIT-UHFFFAOYSA-N 0 0 341.371 3.248 10 5 EGBERN Cc1ccc(NC(=O)c2n[nH]c3ccc(Cl)cc32)c(N)c1[N+](=O)[O-] ZINC001158223479 1381164308 /nfs/dbraw/zinc/16/43/08/1381164308.db2.gz LBWWTUICYQSQMZ-UHFFFAOYSA-N 0 0 345.746 3.267 10 5 EGBERN Cc1ccc(NC(=O)C(C)(C)Oc2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158223437 1381164645 /nfs/dbraw/zinc/16/46/45/1381164645.db2.gz JELMPDUKADEPMP-UHFFFAOYSA-N 0 0 329.356 3.282 10 5 EGBERN Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(N)c1[N+](=O)[O-] ZINC001158225563 1381166553 /nfs/dbraw/zinc/16/65/53/1381166553.db2.gz VRHARKGWHYUUKL-UHFFFAOYSA-N 0 0 343.236 3.294 10 5 EGBERN Cc1ccc(NC(=O)Cc2cncc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001158231884 1381168273 /nfs/dbraw/zinc/16/82/73/1381168273.db2.gz MNXFVNFWEGIZBJ-UHFFFAOYSA-N 0 0 336.351 3.215 10 5 EGBERN Cc1ccc(NC(=O)c2nsc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001158230787 1381168452 /nfs/dbraw/zinc/16/84/52/1381168452.db2.gz AENZQAKMZVOEQG-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001158231755 1381168552 /nfs/dbraw/zinc/16/85/52/1381168552.db2.gz IRMQNHQPKKCSNE-TUKIKUTGSA-N 0 0 325.368 3.474 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001287964710 1381452065 /nfs/dbraw/zinc/45/20/65/1381452065.db2.gz LEDLQIQDCYOZFM-CRAIPNDOSA-N 0 0 328.343 3.404 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(=O)[nH]c(C(C)C)c2)cc1[N+](=O)[O-] ZINC001287965957 1381452092 /nfs/dbraw/zinc/45/20/92/1381452092.db2.gz XASPXPHYCMHCQD-UHFFFAOYSA-N 0 0 329.356 3.057 10 5 EGBERN CCOC1CCC(OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC001287998905 1381475869 /nfs/dbraw/zinc/47/58/69/1381475869.db2.gz FRWLFMLKKXZVMF-UHFFFAOYSA-N 0 0 337.372 3.416 10 5 EGBERN Cc1cc2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2[nH]c1=O ZINC001159153659 1381674334 /nfs/dbraw/zinc/67/43/34/1381674334.db2.gz KZENKLAYWSZMQC-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN CC[C@@H](C)Oc1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001288215894 1381731248 /nfs/dbraw/zinc/73/12/48/1381731248.db2.gz KHDUTJVFSNIBMZ-LLVKDONJSA-N 0 0 345.355 3.428 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC001288216256 1381732023 /nfs/dbraw/zinc/73/20/23/1381732023.db2.gz RRYAHYQPKBPEGX-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001288749004 1381923946 /nfs/dbraw/zinc/92/39/46/1381923946.db2.gz HADXEESNIHXWGI-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001288749641 1381924331 /nfs/dbraw/zinc/92/43/31/1381924331.db2.gz YSSYVAHNDXHWPH-SECBINFHSA-N 0 0 333.275 3.133 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC001288750653 1381925552 /nfs/dbraw/zinc/92/55/52/1381925552.db2.gz WFBLKAJGBNJOPA-ABAIWWIYSA-N 0 0 344.342 3.477 10 5 EGBERN O=C(Nc1n[nH]c2ccccc21)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001289956106 1382029374 /nfs/dbraw/zinc/02/93/74/1382029374.db2.gz DZZXPOSOUIWMDZ-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN Cc1ccc(COCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001328559580 1388774712 /nfs/dbraw/zinc/77/47/12/1388774712.db2.gz ASJLUAPGOSEKCD-UHFFFAOYSA-N 0 0 340.379 3.005 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1F ZINC001293681980 1382335309 /nfs/dbraw/zinc/33/53/09/1382335309.db2.gz GJWOUGALJQLPRA-HNNXBMFYSA-N 0 0 335.310 3.336 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1[N+](=O)[O-] ZINC001293887732 1382385326 /nfs/dbraw/zinc/38/53/26/1382385326.db2.gz ASRPACMAJSMRBE-UHFFFAOYSA-N 0 0 349.778 3.463 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001294149235 1382421346 /nfs/dbraw/zinc/42/13/46/1382421346.db2.gz SYAIERAKNHWKJG-WDEREUQCSA-N 0 0 328.340 3.044 10 5 EGBERN Cc1c(N)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC001294686859 1382483405 /nfs/dbraw/zinc/48/34/05/1382483405.db2.gz LSGSUDPJDRVIFV-UHFFFAOYSA-N 0 0 343.358 3.429 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCOc1ccccc1F ZINC001162078760 1382622168 /nfs/dbraw/zinc/62/21/68/1382622168.db2.gz KYEKQJFNECSUCK-UHFFFAOYSA-N 0 0 345.305 3.334 10 5 EGBERN CC[C@H](C)NC(=O)c1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001162266336 1382718131 /nfs/dbraw/zinc/71/81/31/1382718131.db2.gz ASNGTZBCOXBXNM-JTQLQIEISA-N 0 0 348.790 3.337 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC(Oc3ccccc3)C1)CCCC2 ZINC001162431621 1382757524 /nfs/dbraw/zinc/75/75/24/1382757524.db2.gz YXZMESHUPCZDFB-UHFFFAOYSA-N 0 0 325.368 3.136 10 5 EGBERN CSC[C@@](C)(O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001162597754 1382803552 /nfs/dbraw/zinc/80/35/52/1382803552.db2.gz KGXMKDFLXWJYFS-NSHDSACASA-N 0 0 325.217 3.428 10 5 EGBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001162654464 1382822349 /nfs/dbraw/zinc/82/23/49/1382822349.db2.gz IMPHOUIVLHSQEV-YJBOKZPZSA-N 0 0 339.326 3.443 10 5 EGBERN CCCc1csc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n1 ZINC001295940100 1382877833 /nfs/dbraw/zinc/87/78/33/1382877833.db2.gz NUSBIDZIHMPUQQ-UHFFFAOYSA-N 0 0 340.792 3.492 10 5 EGBERN O=Cc1cnc(Sc2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC001162823171 1382886982 /nfs/dbraw/zinc/88/69/82/1382886982.db2.gz GJYSLUNWJSNTAY-UHFFFAOYSA-N 0 0 340.158 3.111 10 5 EGBERN O=C(Cc1cccc2cnccc21)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987917 1382891644 /nfs/dbraw/zinc/89/16/44/1382891644.db2.gz GBZIKJNUYNCSRX-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN COC(=O)CN(CC(C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001162844953 1382892576 /nfs/dbraw/zinc/89/25/76/1382892576.db2.gz WLPMRNBRHUTYQZ-UHFFFAOYSA-N 0 0 334.294 3.249 10 5 EGBERN COc1cccc(C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001162892501 1382906966 /nfs/dbraw/zinc/90/69/66/1382906966.db2.gz RRKOBMAZMBLOGW-UHFFFAOYSA-N 0 0 335.791 3.463 10 5 EGBERN CN(CCc1cnccn1)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001162943668 1382922816 /nfs/dbraw/zinc/92/28/16/1382922816.db2.gz QHAMKGPHFDNRDP-UHFFFAOYSA-N 0 0 343.774 3.265 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC001163197171 1382990280 /nfs/dbraw/zinc/99/02/80/1382990280.db2.gz BKTIKDWKAUQOFM-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN O=[N+]([O-])c1c(NCc2ncnn2-c2ccccc2)ccc2cnccc21 ZINC001163197806 1382990475 /nfs/dbraw/zinc/99/04/75/1382990475.db2.gz RBYVPKOSSKZKIJ-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN CCC(CC)(CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC001163413035 1383046652 /nfs/dbraw/zinc/04/66/52/1383046652.db2.gz QGDBKOKKXOQZNE-UHFFFAOYSA-N 0 0 344.415 3.399 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001163590713 1383084227 /nfs/dbraw/zinc/08/42/27/1383084227.db2.gz JXHGLDDHCWFNHZ-NSHDSACASA-N 0 0 347.352 3.468 10 5 EGBERN CCc1nn(C)c(NCC2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC001163797953 1383123380 /nfs/dbraw/zinc/12/33/80/1383123380.db2.gz VTLROPABQCAOTC-UHFFFAOYSA-N 0 0 328.416 3.498 10 5 EGBERN O=C(NCc1ccncc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1F ZINC001297168418 1383125596 /nfs/dbraw/zinc/12/55/96/1383125596.db2.gz XHWIZXMRXXMTRU-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001163860565 1383130199 /nfs/dbraw/zinc/13/01/99/1383130199.db2.gz FLWBUQZSGQSPKM-QWHCGFSZSA-N 0 0 346.362 3.252 10 5 EGBERN Cc1cc(N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC001164226107 1383168204 /nfs/dbraw/zinc/16/82/04/1383168204.db2.gz NTABGKYFCFZAAZ-ZCFIWIBFSA-N 0 0 333.245 3.352 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001164342925 1383179048 /nfs/dbraw/zinc/17/90/48/1383179048.db2.gz VLODFOITLQYJLO-JTQLQIEISA-N 0 0 334.357 3.029 10 5 EGBERN COc1ccc2cc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)ccc2c1 ZINC001297646305 1383205605 /nfs/dbraw/zinc/20/56/05/1383205605.db2.gz CZYHTGGIJVEVFT-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN Cc1cnc(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)nc1 ZINC001165614290 1383315699 /nfs/dbraw/zinc/31/56/99/1383315699.db2.gz GJYYNXISUHXWMJ-UHFFFAOYSA-N 0 0 329.341 3.036 10 5 EGBERN O=[N+]([O-])c1cc(I)ccc1OCC1CCC1 ZINC001166013079 1383377050 /nfs/dbraw/zinc/37/70/50/1383377050.db2.gz QRGMAPXXBXHYKC-UHFFFAOYSA-N 0 0 333.125 3.378 10 5 EGBERN Cc1ccc(Cn2nc3c(cc2=O)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC001166189289 1383399721 /nfs/dbraw/zinc/39/97/21/1383399721.db2.gz GMROMMISBTYQKK-UHFFFAOYSA-N 0 0 333.347 3.079 10 5 EGBERN O=C(N[C@H]1CCc2ccc(O)cc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001167286524 1383584976 /nfs/dbraw/zinc/58/49/76/1383584976.db2.gz GCBKCWLSEJMIKT-INIZCTEOSA-N 0 0 337.335 3.199 10 5 EGBERN CNc1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC001167397364 1383622512 /nfs/dbraw/zinc/62/25/12/1383622512.db2.gz MVAQTZBDTWROAV-UHFFFAOYSA-N 0 0 326.356 3.015 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001299750805 1383626130 /nfs/dbraw/zinc/62/61/30/1383626130.db2.gz RNNRYVMWRZWYFS-PBHICJAKSA-N 0 0 332.306 3.409 10 5 EGBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001299752449 1383626207 /nfs/dbraw/zinc/62/62/07/1383626207.db2.gz WXRFBRVZTHNLLL-AEFFLSMTSA-N 0 0 339.326 3.443 10 5 EGBERN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001299825561 1383630577 /nfs/dbraw/zinc/63/05/77/1383630577.db2.gz YUOPNYMXQXAOOL-WFASDCNBSA-N 0 0 331.416 3.465 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001299859094 1383632958 /nfs/dbraw/zinc/63/29/58/1383632958.db2.gz SYKWWQPFCITPGB-GFCCVEGCSA-N 0 0 329.356 3.351 10 5 EGBERN Cc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCC1 ZINC001300233718 1383654714 /nfs/dbraw/zinc/65/47/14/1383654714.db2.gz ZWKPGZZIAGJJKU-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN Cc1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001302607970 1383761354 /nfs/dbraw/zinc/76/13/54/1383761354.db2.gz CDNXSDNWRQPPPP-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN C[C@H](C(=O)NCc1nc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001302983701 1383776716 /nfs/dbraw/zinc/77/67/16/1383776716.db2.gz BWGPSEMRKCLHLK-JTQLQIEISA-N 0 0 342.330 3.030 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001302996358 1383777416 /nfs/dbraw/zinc/77/74/16/1383777416.db2.gz MCILFHZSLJVZTN-BLLLJJGKSA-N 0 0 347.321 3.072 10 5 EGBERN CCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC001305290849 1383859845 /nfs/dbraw/zinc/85/98/45/1383859845.db2.gz BYSBHUKHUASDIH-QGZVFWFLSA-N 0 0 328.372 3.017 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCc1cccnc1Oc1cccc(F)c1 ZINC001306931226 1383922357 /nfs/dbraw/zinc/92/23/57/1383922357.db2.gz GMILSROKRFADFW-UHFFFAOYSA-N 0 0 343.318 3.267 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Nc2cccc(OCc3cccnc3)c2)n1 ZINC001306934722 1383923165 /nfs/dbraw/zinc/92/31/65/1383923165.db2.gz PJZHZZJEMMLMTJ-UHFFFAOYSA-N 0 0 325.328 3.046 10 5 EGBERN COC(=O)Cc1ccc(N2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001306945017 1383924601 /nfs/dbraw/zinc/92/46/01/1383924601.db2.gz LLYLMLOIZAHDKZ-UHFFFAOYSA-N 0 0 326.352 3.313 10 5 EGBERN CCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001306949249 1383925223 /nfs/dbraw/zinc/92/52/23/1383925223.db2.gz UZBYRKIOQJUREJ-UHFFFAOYSA-N 0 0 331.347 3.249 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)CC(C)(C)C)cc1C ZINC001306969747 1383927781 /nfs/dbraw/zinc/92/77/81/1383927781.db2.gz LNYHCMHTNKBXTC-GFCCVEGCSA-N 0 0 338.404 3.289 10 5 EGBERN C[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001306984284 1383929990 /nfs/dbraw/zinc/92/99/90/1383929990.db2.gz OAQKSOMABNOMLX-NXEZZACHSA-N 0 0 348.384 3.381 10 5 EGBERN CO[C@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1(C)C ZINC001306988085 1383930319 /nfs/dbraw/zinc/93/03/19/1383930319.db2.gz KZIIXSPHPFQJPZ-RYUDHWBXSA-N 0 0 336.779 3.417 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[C@@H]1OC ZINC001307079994 1383937859 /nfs/dbraw/zinc/93/78/59/1383937859.db2.gz GHAOZNQFQLECAI-ZANVPECISA-N 0 0 342.779 3.262 10 5 EGBERN CC(C)[C@@H]1CCCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001307097479 1383939808 /nfs/dbraw/zinc/93/98/08/1383939808.db2.gz YWKYZGKXOGQRFZ-CYBMUJFWSA-N 0 0 329.400 3.319 10 5 EGBERN CCS(=O)(=O)Cc1ccc(Nc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001307143968 1383944819 /nfs/dbraw/zinc/94/48/19/1383944819.db2.gz MFXLFKJTAUVPOE-UHFFFAOYSA-N 0 0 338.360 3.412 10 5 EGBERN Cc1ccc2nnc(CNc3nc4ccccc4cc3[N+](=O)[O-])n2c1 ZINC001307147013 1383945458 /nfs/dbraw/zinc/94/54/58/1383945458.db2.gz YZMYPQKEGKAICX-UHFFFAOYSA-N 0 0 334.339 3.106 10 5 EGBERN COc1cc(NCc2nc(C(F)F)no2)c(Cl)cc1[N+](=O)[O-] ZINC001307146261 1383945857 /nfs/dbraw/zinc/94/58/57/1383945857.db2.gz FIHXTWXVGGUGHF-UHFFFAOYSA-N 0 0 334.666 3.190 10 5 EGBERN C[C@H](COc1c(F)cccc1F)Nc1ncc([N+](=O)[O-])cc1F ZINC001307162173 1383948411 /nfs/dbraw/zinc/94/84/11/1383948411.db2.gz AOGDHQTXIAVJBK-MRVPVSSYSA-N 0 0 327.262 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC001307173821 1383950392 /nfs/dbraw/zinc/95/03/92/1383950392.db2.gz CZSOMBPPTIQNRD-UHFFFAOYSA-N 0 0 349.184 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001307181570 1383951921 /nfs/dbraw/zinc/95/19/21/1383951921.db2.gz KVTBXMLOQPXGHF-NVXWUHKLSA-N 0 0 343.339 3.205 10 5 EGBERN CCC(=O)c1ccc(NCc2ccc3nonc3c2)c([N+](=O)[O-])c1 ZINC001307227115 1383961463 /nfs/dbraw/zinc/96/14/63/1383961463.db2.gz AYMCPZULSCFWDU-UHFFFAOYSA-N 0 0 326.312 3.336 10 5 EGBERN CSc1ccccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001307333977 1383972670 /nfs/dbraw/zinc/97/26/70/1383972670.db2.gz SNLOAJLLSGMPTM-UHFFFAOYSA-N 0 0 343.364 3.182 10 5 EGBERN CCCCN(CCCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC001307631290 1384005489 /nfs/dbraw/zinc/00/54/89/1384005489.db2.gz ZLXGFTWFQUJIFB-UHFFFAOYSA-N 0 0 345.237 3.342 10 5 EGBERN O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001169589264 1384162376 /nfs/dbraw/zinc/16/23/76/1384162376.db2.gz ZPVGEOLYYDZECS-UHFFFAOYSA-N 0 0 348.318 3.170 10 5 EGBERN O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001175763569 1385398122 /nfs/dbraw/zinc/39/81/22/1385398122.db2.gz FLGYOMHZDDQBRF-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN Nc1c(C(=O)NCC2(CC3CC3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001176276104 1385535291 /nfs/dbraw/zinc/53/52/91/1385535291.db2.gz IMSNDILOMLDPAQ-UHFFFAOYSA-N 0 0 341.770 3.280 10 5 EGBERN O=C(NCCC[C@@H]1C=CCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001176909673 1385740231 /nfs/dbraw/zinc/74/02/31/1385740231.db2.gz CKAJRMJPOJNIDC-SNVBAGLBSA-N 0 0 332.385 3.076 10 5 EGBERN CCCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001318875607 1385867359 /nfs/dbraw/zinc/86/73/59/1385867359.db2.gz AEOJVYIWWGZWGT-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@]12C[C@H]1CCCC2 ZINC001177681525 1386021760 /nfs/dbraw/zinc/02/17/60/1386021760.db2.gz RKGKBGJOTHWWJU-KZULUSFZSA-N 0 0 342.399 3.100 10 5 EGBERN CC[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001178321056 1386187724 /nfs/dbraw/zinc/18/77/24/1386187724.db2.gz SWQLZYXKFAKUME-BMGYJQCNSA-N 0 0 348.399 3.092 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001179445156 1386483905 /nfs/dbraw/zinc/48/39/05/1386483905.db2.gz RDGCEXFQXDMEIG-WKZPIUISSA-N 0 0 330.359 3.327 10 5 EGBERN Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)c(N)c1[N+](=O)[O-] ZINC001179879524 1386616065 /nfs/dbraw/zinc/61/60/65/1386616065.db2.gz NGJPXYLCPAFQQB-UHFFFAOYSA-N 0 0 340.261 3.152 10 5 EGBERN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)n[nH]2)o1 ZINC001181021738 1386917875 /nfs/dbraw/zinc/91/78/75/1386917875.db2.gz IZKDBIOUQDEIJA-UHFFFAOYSA-N 0 0 326.312 3.447 10 5 EGBERN CNc1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001181022229 1386918000 /nfs/dbraw/zinc/91/80/00/1386918000.db2.gz OZMNMJQTQKECTB-UHFFFAOYSA-N 0 0 330.300 3.105 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1C(F)(F)F ZINC001181022479 1386918216 /nfs/dbraw/zinc/91/82/16/1386918216.db2.gz VDGYENQLAQDRSI-UHFFFAOYSA-N 0 0 328.250 3.206 10 5 EGBERN O=C(Nc1ncccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001321984267 1387024193 /nfs/dbraw/zinc/02/41/93/1387024193.db2.gz QLTAQPCXOLTNAR-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001329591174 1389170113 /nfs/dbraw/zinc/17/01/13/1389170113.db2.gz ZGGBOBCBGBVSAD-ATGSNQNLSA-N 0 0 348.353 3.051 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC001330631627 1389477496 /nfs/dbraw/zinc/47/74/96/1389477496.db2.gz NQOMEFDAXCEOKW-QZTJIDSGSA-N 0 0 340.379 3.241 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001331739836 1389863933 /nfs/dbraw/zinc/86/39/33/1389863933.db2.gz YHYFDIYTOYWDLN-NSHDSACASA-N 0 0 338.791 3.327 10 5 EGBERN O=C([C@H]1Cc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331914516 1389908614 /nfs/dbraw/zinc/90/86/14/1389908614.db2.gz HWSINFYKWOBEQS-KRWDZBQOSA-N 0 0 342.782 3.473 10 5 EGBERN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ccncc1[N+](=O)[O-] ZINC001331960901 1389926950 /nfs/dbraw/zinc/92/69/50/1389926950.db2.gz MNBQNBZMMFNGDS-UHFFFAOYSA-N 0 0 348.403 3.016 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001332953330 1390223691 /nfs/dbraw/zinc/22/36/91/1390223691.db2.gz VGKPMOOFJIIMOR-AWEZNQCLSA-N 0 0 348.790 3.117 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H](O)CC34CCC4)c2c1 ZINC001333721154 1390383538 /nfs/dbraw/zinc/38/35/38/1390383538.db2.gz JNWXVDNUKCJFLT-LLVKDONJSA-N 0 0 348.790 3.075 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001334505889 1390548495 /nfs/dbraw/zinc/54/84/95/1390548495.db2.gz JFTBAOGSEKQTGP-IEBDPFPHSA-N 0 0 330.718 3.412 10 5 EGBERN Cn1nc(C2CC2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001334950067 1390625278 /nfs/dbraw/zinc/62/52/78/1390625278.db2.gz ZKDJJBCEFMRRFF-UHFFFAOYSA-N 0 0 348.790 3.430 10 5 EGBERN O=C(O[C@H]1CCCc2nccnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001343930164 1390744941 /nfs/dbraw/zinc/74/49/41/1390744941.db2.gz RHJKYIHYZJAXQK-ZDUSSCGKSA-N 0 0 333.731 3.273 10 5 EGBERN CCn1cc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC001343975179 1390747722 /nfs/dbraw/zinc/74/77/22/1390747722.db2.gz KATNPKISHLIMDS-UHFFFAOYSA-N 0 0 337.763 3.141 10 5 EGBERN COc1ccc([C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1C ZINC001343987082 1390748604 /nfs/dbraw/zinc/74/86/04/1390748604.db2.gz RQEYWAUEJLAJGG-GFCCVEGCSA-N 0 0 347.371 3.148 10 5 EGBERN O=C(OCc1cnccc1Cl)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999447 1390749162 /nfs/dbraw/zinc/74/91/62/1390749162.db2.gz WZTQAPKTVRWJSM-UONOGXRCSA-N 0 0 332.743 3.490 10 5 EGBERN O=C(OC[C@@]12CCC[C@@H]1OCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001344315031 1390781350 /nfs/dbraw/zinc/78/13/50/1390781350.db2.gz LURHFFDMHRXDBI-RDJZCZTQSA-N 0 0 330.340 3.192 10 5 EGBERN Cc1cccc(C(=O)OC[C@H]2CCOC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC001345002632 1390830026 /nfs/dbraw/zinc/83/00/26/1390830026.db2.gz QVYLYRHHAIRSGK-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCC1=O ZINC001345467442 1390861397 /nfs/dbraw/zinc/86/13/97/1390861397.db2.gz XGVPRIIAHPLHAL-NSHDSACASA-N 0 0 327.340 3.191 10 5 EGBERN Cc1cc(NC(=O)N2CC(CC3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001345488756 1390862068 /nfs/dbraw/zinc/86/20/68/1390862068.db2.gz LLULWNHKAKRGDJ-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN COc1ccc(C(=O)OCC23CCC(C)(CC2)OC3)cc1[N+](=O)[O-] ZINC001346186963 1390913680 /nfs/dbraw/zinc/91/36/80/1390913680.db2.gz FJKNVRXRBBOMDU-UHFFFAOYSA-N 0 0 335.356 3.110 10 5 EGBERN CN(CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001346227023 1390916693 /nfs/dbraw/zinc/91/66/93/1390916693.db2.gz NEWKZACIKGHEJM-UHFFFAOYSA-N 0 0 344.358 3.003 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001346466357 1390942559 /nfs/dbraw/zinc/94/25/59/1390942559.db2.gz BLXHZLIEFVPFEH-GOSISDBHSA-N 0 0 341.367 3.110 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1C[C@H]2CC[C@@H](C1)O2 ZINC001346630403 1390964079 /nfs/dbraw/zinc/96/40/79/1390964079.db2.gz JQKLJDIJZFGBNF-TXEJJXNPSA-N 0 0 327.340 3.143 10 5 EGBERN CC(C)(O)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001346630869 1390964111 /nfs/dbraw/zinc/96/41/11/1390964111.db2.gz RBFXXBDQOINYRS-LBPRGKRZSA-N 0 0 343.383 3.373 10 5 EGBERN C[C@@H](Cc1ccno1)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001346690044 1390970368 /nfs/dbraw/zinc/97/03/68/1390970368.db2.gz CJWBYVGAOANMSQ-QMMMGPOBSA-N 0 0 344.245 3.390 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)cc2N1 ZINC001347256115 1391041001 /nfs/dbraw/zinc/04/10/01/1391041001.db2.gz BJUILYDURQZJKJ-MXWKQRLJSA-N 0 0 337.326 3.325 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001347370576 1391062262 /nfs/dbraw/zinc/06/22/62/1391062262.db2.gz OCDYMYLIAUWOTD-NVXWUHKLSA-N 0 0 346.383 3.154 10 5 EGBERN Cc1ccc(CNC(=O)N2CCO[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001347776651 1391123401 /nfs/dbraw/zinc/12/34/01/1391123401.db2.gz IICUGRCCZGDQJJ-MRXNPFEDSA-N 0 0 349.431 3.250 10 5 EGBERN C[C@]1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC001348497868 1391229448 /nfs/dbraw/zinc/22/94/48/1391229448.db2.gz TYJRVMOVXAGARB-SFHVURJKSA-N 0 0 327.336 3.378 10 5 EGBERN Cc1cc(C)c(OC(=O)c2cc(C(F)(F)F)ncn2)c([N+](=O)[O-])c1 ZINC001348806072 1391270234 /nfs/dbraw/zinc/27/02/34/1391270234.db2.gz GJPODFJCUBOADO-UHFFFAOYSA-N 0 0 341.245 3.240 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC001349205597 1391310658 /nfs/dbraw/zinc/31/06/58/1391310658.db2.gz BWAZXKJWNAARAC-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001349536304 1391338836 /nfs/dbraw/zinc/33/88/36/1391338836.db2.gz JWIZOYGKNRUFAQ-UHFFFAOYSA-N 0 0 349.293 3.013 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)n2ccccc2=NC(C)C)cc1Cl ZINC001349587044 1391342980 /nfs/dbraw/zinc/34/29/80/1391342980.db2.gz WUUSAVYMVYLYTB-UHFFFAOYSA-N 0 0 333.775 3.356 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001349847158 1391375511 /nfs/dbraw/zinc/37/55/11/1391375511.db2.gz OFAAGSQCKWTUJR-GOSISDBHSA-N 0 0 341.367 3.110 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1nnc(C(F)F)o1 ZINC001349882753 1391380491 /nfs/dbraw/zinc/38/04/91/1391380491.db2.gz FAXANAXNKOFSQA-UHFFFAOYSA-N 0 0 340.286 3.104 10 5 EGBERN COc1ccc(NC(=O)/C=C\COc2ccccc2)c([N+](=O)[O-])c1 ZINC001349950696 1391389805 /nfs/dbraw/zinc/38/98/05/1391389805.db2.gz GBINOFLOKZYBKK-YVMONPNESA-N 0 0 328.324 3.177 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001350012196 1391398029 /nfs/dbraw/zinc/39/80/29/1391398029.db2.gz AZWQSTMFIPTJPB-UHFFFAOYSA-N 0 0 330.296 3.477 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)co1 ZINC001350012274 1391398115 /nfs/dbraw/zinc/39/81/15/1391398115.db2.gz FNXIXKNGFNCFIX-UHFFFAOYSA-N 0 0 326.102 3.307 10 5 EGBERN O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001350328668 1391448153 /nfs/dbraw/zinc/44/81/53/1391448153.db2.gz XNROHNQCDUJOLP-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001350510275 1391472932 /nfs/dbraw/zinc/47/29/32/1391472932.db2.gz OYMOMSZNKJYCFR-UHFFFAOYSA-N 0 0 333.280 3.200 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001351057615 1391588839 /nfs/dbraw/zinc/58/88/39/1391588839.db2.gz ILOSGWNJKKNUOK-JIMOISOXSA-N 0 0 342.367 3.237 10 5 EGBERN COC(=O)c1sccc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001351180008 1391608169 /nfs/dbraw/zinc/60/81/69/1391608169.db2.gz ORJJYIFLGYRJFE-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=C(Oc1ccc(F)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001351201651 1391610306 /nfs/dbraw/zinc/61/03/06/1391610306.db2.gz LFFPPHDJBOLQSV-UHFFFAOYSA-N 0 0 341.298 3.198 10 5 EGBERN COc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1OC ZINC001351544417 1391650525 /nfs/dbraw/zinc/65/05/25/1391650525.db2.gz PKCFMWUMGJGFDX-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC001351544268 1391650797 /nfs/dbraw/zinc/65/07/97/1391650797.db2.gz OGYLPUHRJNYGFP-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(c1cccc2c1OC(F)(F)O2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001351697020 1391673248 /nfs/dbraw/zinc/67/32/48/1391673248.db2.gz SUDFOGHMCPBYHL-UHFFFAOYSA-N 0 0 348.261 3.119 10 5 EGBERN CS[C@H]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351781818 1391689827 /nfs/dbraw/zinc/68/98/27/1391689827.db2.gz NKKSDZUUZJKBBN-SFYZADRCSA-N 0 0 338.355 3.067 10 5 EGBERN CCCOc1ccc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001351804005 1391692800 /nfs/dbraw/zinc/69/28/00/1391692800.db2.gz RCJOLEMKNNQSLB-UHFFFAOYSA-N 0 0 345.307 3.332 10 5 EGBERN COc1cc(C(=O)Nc2ccc(N(C)C)c(C)c2)c([N+](=O)[O-])cc1F ZINC001351913544 1391716749 /nfs/dbraw/zinc/71/67/49/1391716749.db2.gz FJOVJUUDAXUELV-UHFFFAOYSA-N 0 0 347.346 3.369 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC001352035856 1391748645 /nfs/dbraw/zinc/74/86/45/1391748645.db2.gz UWQGABXGDLHFCD-QZTJIDSGSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC001352035868 1391748876 /nfs/dbraw/zinc/74/88/76/1391748876.db2.gz UWQGABXGDLHFCD-ZWKOTPCHSA-N 0 0 340.379 3.241 10 5 EGBERN Cc1cc(C(F)F)n2ncc(C(=O)Oc3cccc([N+](=O)[O-])c3)c2n1 ZINC001352895534 1391873838 /nfs/dbraw/zinc/87/38/38/1391873838.db2.gz OFSRPUASULPYCR-UHFFFAOYSA-N 0 0 348.265 3.103 10 5 EGBERN COc1ccc(CN(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001352916467 1391879780 /nfs/dbraw/zinc/87/97/80/1391879780.db2.gz FFELLXNQCFLOHW-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001353126997 1391939157 /nfs/dbraw/zinc/93/91/57/1391939157.db2.gz VOGMAEYFOUUDPK-UHFFFAOYSA-N 0 0 343.339 3.392 10 5 EGBERN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC001353345166 1391993009 /nfs/dbraw/zinc/99/30/09/1391993009.db2.gz GGVLWHDFSYBHPU-UHFFFAOYSA-N 0 0 343.314 3.471 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCOc1ccc(F)cc1 ZINC001353380583 1391999302 /nfs/dbraw/zinc/99/93/02/1391999302.db2.gz IIPLVHJCIGEDEL-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN COc1cc(C(=O)N2CCCc3cc(F)ccc32)c([N+](=O)[O-])cc1F ZINC001353410050 1392006037 /nfs/dbraw/zinc/00/60/37/1392006037.db2.gz UWUFPRMCFWELBB-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN Cc1c(CNC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC001353548622 1392037315 /nfs/dbraw/zinc/03/73/15/1392037315.db2.gz MLEJOZNZCVPOCA-SJLPKXTDSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1ccc(OCCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001353650211 1392060323 /nfs/dbraw/zinc/06/03/23/1392060323.db2.gz AYWIJZWXUDRCMO-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN Cc1ccncc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001353709993 1392073561 /nfs/dbraw/zinc/07/35/61/1392073561.db2.gz RASNAQHRFPPTPN-UHFFFAOYSA-N 0 0 337.282 3.081 10 5 EGBERN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001354016724 1392115427 /nfs/dbraw/zinc/11/54/27/1392115427.db2.gz AFQVFTWLWWKJQS-GHMZBOCLSA-N 0 0 337.395 3.354 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CSc3ccccc32)c([N+](=O)[O-])cc1F ZINC001354054129 1392118409 /nfs/dbraw/zinc/11/84/09/1392118409.db2.gz CABYXDUIEZVHGA-GFCCVEGCSA-N 0 0 348.355 3.319 10 5 EGBERN COc1ccc(OC(C)(C)C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC001354145719 1392122875 /nfs/dbraw/zinc/12/28/75/1392122875.db2.gz BUHBLNCLRUDGSV-UHFFFAOYSA-N 0 0 331.324 3.366 10 5 EGBERN CN(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001354563972 1392152816 /nfs/dbraw/zinc/15/28/16/1392152816.db2.gz LZHOFKSNEKOFNZ-MRXNPFEDSA-N 0 0 347.802 3.167 10 5 EGBERN CC(C)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001354597797 1392155265 /nfs/dbraw/zinc/15/52/65/1392155265.db2.gz IDKAAZFKYJJVCG-ZDUSSCGKSA-N 0 0 330.388 3.335 10 5 EGBERN O=C(Cc1cccc2cnccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC001355002908 1392184725 /nfs/dbraw/zinc/18/47/25/1392184725.db2.gz CBVUKPMNOQTVON-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN C[C@H](NC(=O)NOCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001479307296 1392209521 /nfs/dbraw/zinc/20/95/21/1392209521.db2.gz WSGRAKKIQVGZAJ-NSHDSACASA-N 0 0 333.319 3.226 10 5 EGBERN CCC1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])c(C)c2)CCCC1 ZINC001689820328 1404159208 /nfs/dbraw/zinc/15/92/08/1404159208.db2.gz IOIWNMKQWAKUMY-UHFFFAOYSA-N 0 0 333.432 3.426 10 5 EGBERN CN(CCN(C)C(=O)CCC1(C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001715532526 1420223892 /nfs/dbraw/zinc/22/38/92/1420223892.db2.gz BJPXSESNAYHUFJ-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN CC(C(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1)=C1CCCC1 ZINC001715806626 1420351111 /nfs/dbraw/zinc/35/11/11/1420351111.db2.gz LNELZJLXSQPZAO-SNAWJCMRSA-N 0 0 349.456 3.309 10 5 EGBERN CC(C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1[C@H]1C[C@H]1C ZINC001723168541 1424314340 /nfs/dbraw/zinc/31/43/40/1424314340.db2.gz CWFNBHOJEZSDEA-WBMJQRKESA-N 0 0 341.415 3.453 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000135265162 282168094 /nfs/dbraw/zinc/16/80/94/282168094.db2.gz DFXFKOQOYJRHLQ-BXUZGUMPSA-N 0 0 343.358 3.456 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccccc2)CC1 ZINC000012933055 201875865 /nfs/dbraw/zinc/87/58/65/201875865.db2.gz URKULOGNCWZOBN-UHFFFAOYSA-N 0 0 338.363 3.290 10 5 EGBERN Cc1c(C(=O)N2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000282188949 201327928 /nfs/dbraw/zinc/32/79/28/201327928.db2.gz KVCIEAYOLHCEBS-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN Cc1cccnc1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000295696520 201350498 /nfs/dbraw/zinc/35/04/98/201350498.db2.gz IULPCWWEJBDCHD-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000082379 201431908 /nfs/dbraw/zinc/43/19/08/201431908.db2.gz ZCIHGXKYBIXNHY-PXAZEXFGSA-N 0 0 328.324 3.086 10 5 EGBERN CCOc1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000357460176 241860886 /nfs/dbraw/zinc/86/08/86/241860886.db2.gz AIRWOGSRYVMVTI-QWRGUYRKSA-N 0 0 333.344 3.326 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000064981828 202821642 /nfs/dbraw/zinc/82/16/42/202821642.db2.gz LXDSCJKNOUJNFZ-LBPRGKRZSA-N 0 0 330.340 3.318 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 ZINC000071911368 203148886 /nfs/dbraw/zinc/14/88/86/203148886.db2.gz SKUTVPLDGSFFMP-UHFFFAOYSA-N 0 0 346.368 3.081 10 5 EGBERN COc1ccc([C@H]2CCN(c3ccc(CO)cc3[N+](=O)[O-])C2)cc1 ZINC000071913888 203148957 /nfs/dbraw/zinc/14/89/57/203148957.db2.gz XTCQMPQONRMJRQ-HNNXBMFYSA-N 0 0 328.368 3.090 10 5 EGBERN O=[N+]([O-])c1cc(-c2ccnc3nc(-c4ccco4)nn32)ccc1F ZINC000072451406 203227224 /nfs/dbraw/zinc/22/72/24/203227224.db2.gz YBRQTJXGFUKLJV-UHFFFAOYSA-N 0 0 325.259 3.099 10 5 EGBERN CC(C)COC1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000076277478 203344981 /nfs/dbraw/zinc/34/49/81/203344981.db2.gz SMUGFPJYRUOKTH-UHFFFAOYSA-N 0 0 342.342 3.150 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000097163073 203929480 /nfs/dbraw/zinc/92/94/80/203929480.db2.gz SYPPVQPCYIHRAI-DYVFJYSZSA-N 0 0 333.388 3.062 10 5 EGBERN O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375929602 168845221 /nfs/dbraw/zinc/84/52/21/168845221.db2.gz WUMDGLZWWAYXNP-OCCSQVGLSA-N 0 0 329.331 3.195 10 5 EGBERN CC(C)(C)c1csc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000154138721 205909612 /nfs/dbraw/zinc/90/96/12/205909612.db2.gz HKXVQAKYJUHFAS-UHFFFAOYSA-N 0 0 344.396 3.107 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)c1 ZINC000154208466 205913010 /nfs/dbraw/zinc/91/30/10/205913010.db2.gz XHQQORQJBXAXHJ-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2cccs2)C1 ZINC000157921129 206163830 /nfs/dbraw/zinc/16/38/30/206163830.db2.gz IDJLWECYMTTWMP-OAHLLOKOSA-N 0 0 334.397 3.109 10 5 EGBERN O=C(NCCC1=CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000160208277 206284422 /nfs/dbraw/zinc/28/44/22/206284422.db2.gz MWBNQZGHXKYZOP-UHFFFAOYSA-N 0 0 343.427 3.428 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000265996395 248009443 /nfs/dbraw/zinc/00/94/43/248009443.db2.gz DCVYZFPZLYHLRN-OAHLLOKOSA-N 0 0 326.352 3.384 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC2CCN(CC(F)(F)F)CC2)c1 ZINC000266453500 248308424 /nfs/dbraw/zinc/30/84/24/248308424.db2.gz XNYPUQHVPMLRDI-UHFFFAOYSA-N 0 0 333.310 3.042 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000378259750 169092879 /nfs/dbraw/zinc/09/28/79/169092879.db2.gz DWNGNRHGXCOMBV-UHFFFAOYSA-N 0 0 327.384 3.378 10 5 EGBERN O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000378264327 169093705 /nfs/dbraw/zinc/09/37/05/169093705.db2.gz XDDOKXZPKFFXHQ-UHFFFAOYSA-N 0 0 327.384 3.248 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000378584756 169142125 /nfs/dbraw/zinc/14/21/25/169142125.db2.gz AGRAFRRPJARWNB-UHFFFAOYSA-N 0 0 338.770 3.421 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]2C2CC2)c1 ZINC000378600265 169145084 /nfs/dbraw/zinc/14/50/84/169145084.db2.gz QCHOMGVXCPPVTF-NSHDSACASA-N 0 0 344.820 3.120 10 5 EGBERN CCS[C@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000267377590 251000039 /nfs/dbraw/zinc/00/00/39/251000039.db2.gz YVFCSSCOOAAOFX-CABCVRRESA-N 0 0 333.413 3.480 10 5 EGBERN CCc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000175144928 207097903 /nfs/dbraw/zinc/09/79/03/207097903.db2.gz WOBYUFKKRLXUKN-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000175204147 207103906 /nfs/dbraw/zinc/10/39/06/207103906.db2.gz PBKUSEVAGYEJKT-KRWDZBQOSA-N 0 0 344.415 3.336 10 5 EGBERN CC[C@H](NC(=O)NCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000176047498 207185651 /nfs/dbraw/zinc/18/56/51/207185651.db2.gz KQQKLGKNRGZDHB-ZDUSSCGKSA-N 0 0 334.401 3.044 10 5 EGBERN CC[C@@H](NC(=O)CCc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000177784745 207396748 /nfs/dbraw/zinc/39/67/48/207396748.db2.gz DWXAJCQBQKYPGK-MRXNPFEDSA-N 0 0 330.388 3.135 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000177799562 207398648 /nfs/dbraw/zinc/39/86/48/207398648.db2.gz NBSWRGRVAJEZPX-YCPHGPKFSA-N 0 0 348.399 3.142 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2ccco2)C[C@H]2CCCO2)c(Cl)c1 ZINC000268845087 252291682 /nfs/dbraw/zinc/29/16/82/252291682.db2.gz NRAOQHMCAJIAMG-CYBMUJFWSA-N 0 0 337.763 3.422 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000180587759 207804076 /nfs/dbraw/zinc/80/40/76/207804076.db2.gz DMKISPTZQOHGKT-CQSZACIVSA-N 0 0 329.360 3.385 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCC[C@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000368392814 285087531 /nfs/dbraw/zinc/08/75/31/285087531.db2.gz HJVTYOUKSKIFMV-QMMMGPOBSA-N 0 0 342.186 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000194816478 285115094 /nfs/dbraw/zinc/11/50/94/285115094.db2.gz HWWHMZGNDQBPMH-CQSZACIVSA-N 0 0 347.302 3.256 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)cc2N1 ZINC000097335859 219013887 /nfs/dbraw/zinc/01/38/87/219013887.db2.gz GEDHRHXHIDLPRP-UHFFFAOYSA-N 0 0 333.731 3.191 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ncccn3)C2)c(Cl)c1 ZINC000040153776 285136134 /nfs/dbraw/zinc/13/61/34/285136134.db2.gz USBAFQVEDYJLJQ-NSHDSACASA-N 0 0 333.779 3.119 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000185447040 533405326 /nfs/dbraw/zinc/40/53/26/533405326.db2.gz KRABMMPSACEYAB-HFBDAHEESA-N 0 0 340.383 3.127 10 5 EGBERN CCc1cccc(CC)c1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC000005971491 140753728 /nfs/dbraw/zinc/75/37/28/140753728.db2.gz KDGJQIZOJJFFAQ-UHFFFAOYSA-N 0 0 329.356 3.132 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000103039486 140865533 /nfs/dbraw/zinc/86/55/33/140865533.db2.gz XRUXEBCFXDUXQT-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000246762623 141032589 /nfs/dbraw/zinc/03/25/89/141032589.db2.gz QUVVFLXHDCQTIK-CXAGYDPISA-N 0 0 346.408 3.118 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCOc1ccccc1 ZINC000338021101 141075641 /nfs/dbraw/zinc/07/56/41/141075641.db2.gz DVSFLXUKXGWXPB-UHFFFAOYSA-N 0 0 328.368 3.444 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1cnc2ccccc21 ZINC000338029439 141076527 /nfs/dbraw/zinc/07/65/27/141076527.db2.gz LCTMKMOVFNKAKK-UHFFFAOYSA-N 0 0 338.367 3.073 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2csc(C)n2)cc1OC ZINC000338132339 141099388 /nfs/dbraw/zinc/09/93/88/141099388.db2.gz GLKHTPWPONCHGP-UHFFFAOYSA-N 0 0 337.357 3.019 10 5 EGBERN Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000338133523 141099583 /nfs/dbraw/zinc/09/95/83/141099583.db2.gz VCFZVZBKXGGAEW-UHFFFAOYSA-N 0 0 332.385 3.212 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2ccn(Cc3ccccc3)n2)cs1 ZINC000341260227 141146028 /nfs/dbraw/zinc/14/60/28/141146028.db2.gz DKWGQKXZDAXEGA-UHFFFAOYSA-N 0 0 328.397 3.191 10 5 EGBERN Cc1oc2ccccc2c1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000344482455 141162800 /nfs/dbraw/zinc/16/28/00/141162800.db2.gz PWRJHHGJYNVPQL-UHFFFAOYSA-N 0 0 337.335 3.243 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nc(C)oc2c1 ZINC000347984352 141228491 /nfs/dbraw/zinc/22/84/91/141228491.db2.gz HOUUSYBIELERNW-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC[C@@]4(CC=CCC4)C3)c([N+](=O)[O-])cc12 ZINC000114451424 296526030 /nfs/dbraw/zinc/52/60/30/296526030.db2.gz DTFRXBJXDYVPSY-SFHVURJKSA-N 0 0 340.383 3.158 10 5 EGBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000048778441 142571605 /nfs/dbraw/zinc/57/16/05/142571605.db2.gz ZENIZXGGKFHLGW-JTQLQIEISA-N 0 0 347.758 3.064 10 5 EGBERN Cc1ncsc1-c1nc(COc2cc(F)ccc2[N+](=O)[O-])no1 ZINC000124756580 142594409 /nfs/dbraw/zinc/59/44/09/142594409.db2.gz UQNAILPMSMQQOU-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171225409 144002167 /nfs/dbraw/zinc/00/21/67/144002167.db2.gz FNVIVJSDQFGAIC-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000172700003 144025707 /nfs/dbraw/zinc/02/57/07/144025707.db2.gz JFHUPJXMWAUMLU-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000172838189 144030232 /nfs/dbraw/zinc/03/02/32/144030232.db2.gz UMWDJWFUIMRADK-SNVBAGLBSA-N 0 0 349.774 3.149 10 5 EGBERN COc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1[N+](=O)[O-] ZINC000184077035 144086296 /nfs/dbraw/zinc/08/62/96/144086296.db2.gz VULUFOXERFGOAL-OAHLLOKOSA-N 0 0 330.340 3.031 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185316907 144110638 /nfs/dbraw/zinc/11/06/38/144110638.db2.gz YXRRDIIRBOJDIL-SNVBAGLBSA-N 0 0 345.403 3.127 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000351604909 144286765 /nfs/dbraw/zinc/28/67/65/144286765.db2.gz FVSYRDJILQFGBS-NWDGAFQWSA-N 0 0 337.351 3.014 10 5 EGBERN CC(C)Oc1ncccc1-c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000351623964 144288597 /nfs/dbraw/zinc/28/85/97/144288597.db2.gz LCJDVWRCRGSEMO-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](C2CCCCC2)C1 ZINC000363859972 144372475 /nfs/dbraw/zinc/37/24/75/144372475.db2.gz SXZPTSRDLXXDGY-INIZCTEOSA-N 0 0 336.363 3.155 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000364095652 144392352 /nfs/dbraw/zinc/39/23/52/144392352.db2.gz BRBBMQLJFNQWKO-OAHLLOKOSA-N 0 0 344.371 3.352 10 5 EGBERN Nc1ccc(C(=O)NCc2cccc(-c3cccnc3)c2)cc1[N+](=O)[O-] ZINC000364260321 144393398 /nfs/dbraw/zinc/39/33/98/144393398.db2.gz JGFCBNLFMCHOEX-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374710504 144555586 /nfs/dbraw/zinc/55/55/86/144555586.db2.gz NYTGBQUTGNPOAA-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN C[C@@H](NC(=O)Cc1noc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341282224 155228306 /nfs/dbraw/zinc/22/83/06/155228306.db2.gz ICDDCWOHBVEDEO-LLVKDONJSA-N 0 0 325.324 3.156 10 5 EGBERN COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC000341292538 155228711 /nfs/dbraw/zinc/22/87/11/155228711.db2.gz CSVYCWJEWWRCAI-UHFFFAOYSA-N 0 0 336.351 3.094 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCOC[C@@H]1CC1CCC1 ZINC000341406686 155274647 /nfs/dbraw/zinc/27/46/47/155274647.db2.gz KMCYFKLOCRAYOI-AWEZNQCLSA-N 0 0 343.383 3.107 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000116040391 152040062 /nfs/dbraw/zinc/04/00/62/152040062.db2.gz IBQXYCZZCODVBC-ZDUSSCGKSA-N 0 0 330.340 3.320 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2cccn2)c1 ZINC000116627015 152069875 /nfs/dbraw/zinc/06/98/75/152069875.db2.gz QCPJGEZUNQZDTK-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000116731697 152075589 /nfs/dbraw/zinc/07/55/89/152075589.db2.gz XBWFRNGMMRAVKR-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000118260757 152131802 /nfs/dbraw/zinc/13/18/02/152131802.db2.gz YIXZYDRFWWEGKZ-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN Cc1c(CC(=O)Nc2cccc(-c3ncon3)c2)cccc1[N+](=O)[O-] ZINC000119078299 152170628 /nfs/dbraw/zinc/17/06/28/152170628.db2.gz WHPHGRBWAQPUPT-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN CCOc1ccc(C(=O)N(C)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000121261784 152338687 /nfs/dbraw/zinc/33/86/87/152338687.db2.gz UZOHCZZGHKGJFI-UHFFFAOYSA-N 0 0 341.323 3.411 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(F)cc2Br)c1=O ZINC000155904182 152647889 /nfs/dbraw/zinc/64/78/89/152647889.db2.gz ZGFISWWZGMSLKT-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN CC(C)c1nnc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)o1 ZINC000175501095 152875149 /nfs/dbraw/zinc/87/51/49/152875149.db2.gz LMJFZDWFDVLVSR-NSHDSACASA-N 0 0 344.371 3.012 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177223120 152958098 /nfs/dbraw/zinc/95/80/98/152958098.db2.gz DAGJFJVQMDWFPG-CQSZACIVSA-N 0 0 348.790 3.058 10 5 EGBERN Cc1ccc(CN2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000189954033 153109483 /nfs/dbraw/zinc/10/94/83/153109483.db2.gz HLEWXGMFNNWOTQ-UHFFFAOYSA-N 0 0 332.429 3.436 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000190134708 153119164 /nfs/dbraw/zinc/11/91/64/153119164.db2.gz PRLPYFUNTRLOHV-OAHLLOKOSA-N 0 0 326.352 3.086 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)c1 ZINC000190306939 153129846 /nfs/dbraw/zinc/12/98/46/153129846.db2.gz MZNMXHJPXRTOAQ-GFCCVEGCSA-N 0 0 335.385 3.410 10 5 EGBERN COc1ccc(C(=O)NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191187384 153179643 /nfs/dbraw/zinc/17/96/43/153179643.db2.gz SCTWSAFGNXZVFA-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN COc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000193036891 153274124 /nfs/dbraw/zinc/27/41/24/153274124.db2.gz KONBPCCAVULONK-QGZVFWFLSA-N 0 0 341.367 3.284 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2ccccc21 ZINC000195014199 153370544 /nfs/dbraw/zinc/37/05/44/153370544.db2.gz VGDFVDFYPHDBMO-INIZCTEOSA-N 0 0 341.367 3.037 10 5 EGBERN CC1(C)CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000303915532 154059788 /nfs/dbraw/zinc/05/97/88/154059788.db2.gz RZMYLACFIGYDEW-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3C(F)F)n2)cc1 ZINC000337397145 154331930 /nfs/dbraw/zinc/33/19/30/154331930.db2.gz JLZGZAKXPZWICJ-LBPRGKRZSA-N 0 0 338.314 3.264 10 5 EGBERN COc1cc(C(=O)NCCc2cccc3[nH]ccc32)ccc1[N+](=O)[O-] ZINC000337431547 154350218 /nfs/dbraw/zinc/35/02/18/154350218.db2.gz VCMOUXKSSLRHHH-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000339241769 154770116 /nfs/dbraw/zinc/77/01/16/154770116.db2.gz RNSBCVSFSFZXHO-SNVBAGLBSA-N 0 0 342.277 3.218 10 5 EGBERN C[C@@H](O)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000339941345 155042667 /nfs/dbraw/zinc/04/26/67/155042667.db2.gz HQMJMXSBWDJZPZ-GFCCVEGCSA-N 0 0 346.408 3.247 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1ccc(OCc2ccccc2)cc1 ZINC000339994229 155064737 /nfs/dbraw/zinc/06/47/37/155064737.db2.gz FYYSPTWWOOPWQJ-UHFFFAOYSA-N 0 0 336.347 3.384 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000340075577 155089399 /nfs/dbraw/zinc/08/93/99/155089399.db2.gz DVWLEUVSYZFKJS-AWEZNQCLSA-N 0 0 342.355 3.125 10 5 EGBERN CSc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000341050883 155130053 /nfs/dbraw/zinc/13/00/53/155130053.db2.gz ZVCGTHPFIWSUBG-UHFFFAOYSA-N 0 0 345.424 3.359 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346928240 156200304 /nfs/dbraw/zinc/20/03/04/156200304.db2.gz VDFPPVVKFOUUSS-GFCCVEGCSA-N 0 0 331.294 3.240 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2cncn2C)no1 ZINC000346953843 156212279 /nfs/dbraw/zinc/21/22/79/156212279.db2.gz ZZXLBUWOEDKYHX-ZDUSSCGKSA-N 0 0 341.371 3.038 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000352770956 156475747 /nfs/dbraw/zinc/47/57/47/156475747.db2.gz ONIOPEAIRROLOQ-VIFPVBQESA-N 0 0 327.340 3.360 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCSCC(F)(F)F)c1 ZINC000360133965 156927017 /nfs/dbraw/zinc/92/70/17/156927017.db2.gz LEBJJSFKYXMXCT-UHFFFAOYSA-N 0 0 338.307 3.089 10 5 EGBERN Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1[N+](=O)[O-] ZINC000074100054 161681268 /nfs/dbraw/zinc/68/12/68/161681268.db2.gz NATAIUWSAWUBHM-MRXNPFEDSA-N 0 0 341.367 3.124 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000105850685 162059697 /nfs/dbraw/zinc/05/96/97/162059697.db2.gz VYYZAHJGRWRLCK-INIZCTEOSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000127162574 162323429 /nfs/dbraw/zinc/32/34/29/162323429.db2.gz VHTNECNXKKYGMR-HFTQHKIXSA-N 0 0 342.351 3.110 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000127228196 162326948 /nfs/dbraw/zinc/32/69/48/162326948.db2.gz WHUQFMSRZSPTHB-DBWMJRBXSA-N 0 0 342.351 3.110 10 5 EGBERN Cc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130925570 162384254 /nfs/dbraw/zinc/38/42/54/162384254.db2.gz BPRCFHINNGQYNS-QWHCGFSZSA-N 0 0 329.404 3.243 10 5 EGBERN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000131012135 162388945 /nfs/dbraw/zinc/38/89/45/162388945.db2.gz CCZQLDTVFXBZIQ-VIFPVBQESA-N 0 0 329.187 3.449 10 5 EGBERN COC(=O)c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000134159639 162483623 /nfs/dbraw/zinc/48/36/23/162483623.db2.gz MKIRWPRNRIXXET-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000337067136 163119879 /nfs/dbraw/zinc/11/98/79/163119879.db2.gz WZLNNWOAKQFNSP-GFCCVEGCSA-N 0 0 348.371 3.020 10 5 EGBERN Cc1sc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000338504309 163250169 /nfs/dbraw/zinc/25/01/69/163250169.db2.gz UHTMGXAHDAHPDQ-UWVGGRQHSA-N 0 0 326.418 3.288 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCc2ccc(Cn3ccnc3)cc2)c1 ZINC000338654796 163307613 /nfs/dbraw/zinc/30/76/13/163307613.db2.gz ZKNGCKMHGIPTLL-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000340222204 163512122 /nfs/dbraw/zinc/51/21/22/163512122.db2.gz OUAGYVACRPWYNB-SWLSCSKDSA-N 0 0 325.368 3.135 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3sccc3F)n2)c1 ZINC000340678561 163641759 /nfs/dbraw/zinc/64/17/59/163641759.db2.gz PXNKYSPRCWAHMB-UHFFFAOYSA-N 0 0 335.316 3.445 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1csc([N+](=O)[O-])c1 ZINC000342309035 163844858 /nfs/dbraw/zinc/84/48/58/163844858.db2.gz HHCHPAPICBRKLX-UHFFFAOYSA-N 0 0 333.344 3.249 10 5 EGBERN CCS[C@H]1CCC[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342525036 163900381 /nfs/dbraw/zinc/90/03/81/163900381.db2.gz WJVINQADALDCOA-KBPBESRZSA-N 0 0 344.383 3.206 10 5 EGBERN CC(=O)c1cc(NCC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000342665458 163936845 /nfs/dbraw/zinc/93/68/45/163936845.db2.gz CRTKYEGUNGWYTK-CQSZACIVSA-N 0 0 342.351 3.439 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000344097810 164102903 /nfs/dbraw/zinc/10/29/03/164102903.db2.gz WISXSIYVIKICTC-SCZZXKLOSA-N 0 0 347.293 3.408 10 5 EGBERN CCOc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000344134032 164111897 /nfs/dbraw/zinc/11/18/97/164111897.db2.gz PRSPQEAKOWKCDC-GFCCVEGCSA-N 0 0 344.371 3.248 10 5 EGBERN CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344198324 164124602 /nfs/dbraw/zinc/12/46/02/164124602.db2.gz BREZTNVJPWQIFE-HNNXBMFYSA-N 0 0 341.367 3.160 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2cc(F)ccc21 ZINC000344338347 164160359 /nfs/dbraw/zinc/16/03/59/164160359.db2.gz PACZCMQLAIYFRM-UHFFFAOYSA-N 0 0 336.269 3.144 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(N2CCCC2=O)c1 ZINC000344416352 164173795 /nfs/dbraw/zinc/17/37/95/164173795.db2.gz IPUMJPDMGJSHRE-GFCCVEGCSA-N 0 0 326.356 3.290 10 5 EGBERN O=C(NCCC1(F)CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345712022 164249586 /nfs/dbraw/zinc/24/95/86/164249586.db2.gz NCDBFAYBDBCMJE-UHFFFAOYSA-N 0 0 332.278 3.208 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000345826375 164272931 /nfs/dbraw/zinc/27/29/31/164272931.db2.gz SQDCTELIBFLRCD-CYBMUJFWSA-N 0 0 330.388 3.021 10 5 EGBERN CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000345991477 164311591 /nfs/dbraw/zinc/31/15/91/164311591.db2.gz ZXZOJQIJPUBCNN-UHFFFAOYSA-N 0 0 343.261 3.267 10 5 EGBERN C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1cccnc1 ZINC000345989107 164311914 /nfs/dbraw/zinc/31/19/14/164311914.db2.gz JTSYMTFNSODIOC-OLZOCXBDSA-N 0 0 325.368 3.461 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000346229786 164360530 /nfs/dbraw/zinc/36/05/30/164360530.db2.gz FNHSAFBWJTWEJL-ZDUSSCGKSA-N 0 0 342.351 3.281 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347112250 164446178 /nfs/dbraw/zinc/44/61/78/164446178.db2.gz QZEYLYXIFOMPSI-YJYMSZOUSA-N 0 0 339.395 3.447 10 5 EGBERN CC(C)(C)OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347267000 164470445 /nfs/dbraw/zinc/47/04/45/164470445.db2.gz OHWMRWSIIRMCBK-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000348627553 164786161 /nfs/dbraw/zinc/78/61/61/164786161.db2.gz PTWKTHFKGATISC-SJKOYZFVSA-N 0 0 325.368 3.328 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000349797947 164934196 /nfs/dbraw/zinc/93/41/96/164934196.db2.gz CXCFNZZPEMPDQK-VIFPVBQESA-N 0 0 337.738 3.202 10 5 EGBERN CN(C(=O)CSc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000350969531 165087007 /nfs/dbraw/zinc/08/70/07/165087007.db2.gz FBPXPXQRFRRQFI-UHFFFAOYSA-N 0 0 342.420 3.313 10 5 EGBERN CCn1cc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000351922887 165152265 /nfs/dbraw/zinc/15/22/65/165152265.db2.gz LYVCFNVNMMWDMG-UHFFFAOYSA-N 0 0 345.403 3.430 10 5 EGBERN COc1cc(CNc2cc(C)n(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000352035956 165202286 /nfs/dbraw/zinc/20/22/86/165202286.db2.gz VLKGIYABGIACGS-UHFFFAOYSA-N 0 0 338.367 3.132 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccs2)C1 ZINC000352041527 165207047 /nfs/dbraw/zinc/20/70/47/165207047.db2.gz YVBVVZPUJMKFHQ-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196071 166129305 /nfs/dbraw/zinc/12/93/05/166129305.db2.gz HABLBWNPQXHRAD-ONGXEEELSA-N 0 0 348.321 3.385 10 5 EGBERN CC[C@H](NC(=O)c1ccc2nsnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000355727044 166291438 /nfs/dbraw/zinc/29/14/38/166291438.db2.gz BOCSDTXEHGQKET-ZDUSSCGKSA-N 0 0 342.380 3.481 10 5 EGBERN Cn1cc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(F)cc2)cn1 ZINC000355733402 166292845 /nfs/dbraw/zinc/29/28/45/166292845.db2.gz KZGJVWHMUOJPHB-INIZCTEOSA-N 0 0 327.319 3.064 10 5 EGBERN COc1ccc(OCc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000355887482 166338499 /nfs/dbraw/zinc/33/84/99/166338499.db2.gz SLGHQRIKQHMRGP-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN COc1cc(OCc2nccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000355932581 166351079 /nfs/dbraw/zinc/35/10/79/166351079.db2.gz CSZHQOMHQJLSBH-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN COCc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC000356133332 166411178 /nfs/dbraw/zinc/41/11/78/166411178.db2.gz HRBLIGGLTNEQMJ-UHFFFAOYSA-N 0 0 326.312 3.162 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000356870390 166519648 /nfs/dbraw/zinc/51/96/48/166519648.db2.gz OIAALMLIARAMMC-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN Cc1cnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000358946938 167015495 /nfs/dbraw/zinc/01/54/95/167015495.db2.gz GRXKPGQCOPSVBJ-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000358962234 167019622 /nfs/dbraw/zinc/01/96/22/167019622.db2.gz BJQSYZSTFMOYBS-JTQLQIEISA-N 0 0 346.330 3.082 10 5 EGBERN CC1(C)C(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1(C)C ZINC000359012252 167037348 /nfs/dbraw/zinc/03/73/48/167037348.db2.gz TXQRIEHPYWYOSA-UHFFFAOYSA-N 0 0 328.315 3.361 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)CC(C)(C)O)n1 ZINC000359095865 167065434 /nfs/dbraw/zinc/06/54/34/167065434.db2.gz KJRGXDHCQJHEJZ-UHFFFAOYSA-N 0 0 329.400 3.384 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H]2COc3ccccc3O2)n1 ZINC000359099140 167066680 /nfs/dbraw/zinc/06/66/80/167066680.db2.gz OKBIVUMDWZFWJK-CYBMUJFWSA-N 0 0 329.356 3.249 10 5 EGBERN O=c1c(Br)cn(C[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000359155440 167083333 /nfs/dbraw/zinc/08/33/33/167083333.db2.gz BMZPERHRYXGNAJ-RYUDHWBXSA-N 0 0 349.184 3.323 10 5 EGBERN C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541411 167185855 /nfs/dbraw/zinc/18/58/55/167185855.db2.gz DITJWBLLNKDQRQ-KBXCAEBGSA-N 0 0 331.416 3.070 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cccc(N3CCOCC3)n2)c(Cl)c1 ZINC000359690526 167210348 /nfs/dbraw/zinc/21/03/48/167210348.db2.gz VMRMCJXVQDJXOB-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1noc(Cc2ccccc2)n1 ZINC000359758921 167225468 /nfs/dbraw/zinc/22/54/68/167225468.db2.gz OMGDRYXOOSZCSM-UHFFFAOYSA-N 0 0 340.339 3.189 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)cc1[N+](=O)[O-] ZINC000360433659 167327363 /nfs/dbraw/zinc/32/73/63/167327363.db2.gz MVBZOKRXYIKRSQ-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN CCOC(=O)Cc1csc(Sc2nc(C)ccc2[N+](=O)[O-])n1 ZINC000360675005 167385663 /nfs/dbraw/zinc/38/56/63/167385663.db2.gz IHOAQQJYBDJTSB-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1noc(-c2cccc(F)c2)n1 ZINC000366827520 168145564 /nfs/dbraw/zinc/14/55/64/168145564.db2.gz BOWYAEYHAMRYLK-UHFFFAOYSA-N 0 0 349.709 3.444 10 5 EGBERN O=C([C@@H]1CC12CCN(c1ccc([N+](=O)[O-])cc1)CC2)N1CCCCC1 ZINC000367511191 168235265 /nfs/dbraw/zinc/23/52/65/168235265.db2.gz XNPLEQJSMHNCJX-KRWDZBQOSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CC(C)C ZINC000174190756 265030892 /nfs/dbraw/zinc/03/08/92/265030892.db2.gz BSWPWVLUYNFKSS-UHFFFAOYSA-N 0 0 331.376 3.077 10 5 EGBERN CCC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000174929231 265081566 /nfs/dbraw/zinc/08/15/66/265081566.db2.gz CYSZBVKUWNGMPT-UHFFFAOYSA-N 0 0 326.780 3.466 10 5 EGBERN CC[C@H](NS(=O)(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000175114136 265093115 /nfs/dbraw/zinc/09/31/15/265093115.db2.gz QXNUURYVKQJHNM-INIZCTEOSA-N 0 0 334.397 3.333 10 5 EGBERN COC(=O)c1cc(OCc2nc3cc(F)ccc3o2)ccc1[N+](=O)[O-] ZINC000176612622 265192785 /nfs/dbraw/zinc/19/27/85/265192785.db2.gz QDTXZUSKCYJGIN-UHFFFAOYSA-N 0 0 346.270 3.241 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000176901214 265213755 /nfs/dbraw/zinc/21/37/55/265213755.db2.gz REABKHPOWWVYMW-UHFFFAOYSA-N 0 0 335.310 3.242 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000177804880 265278328 /nfs/dbraw/zinc/27/83/28/265278328.db2.gz ZTZNJPWFKLPTOF-XJKSGUPXSA-N 0 0 330.388 3.237 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)n1 ZINC000191642492 265922747 /nfs/dbraw/zinc/92/27/47/265922747.db2.gz RGXYXUMPTZLPQN-UHFFFAOYSA-N 0 0 339.355 3.229 10 5 EGBERN Cc1sc(C(=O)NCc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000193975085 266081374 /nfs/dbraw/zinc/08/13/74/266081374.db2.gz MXKREWURVITMPX-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN COc1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1[N+](=O)[O-] ZINC000195344171 266175402 /nfs/dbraw/zinc/17/54/02/266175402.db2.gz HFVKHYRPMRTJKT-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000272179496 266786340 /nfs/dbraw/zinc/78/63/40/266786340.db2.gz ZYYPOTPIEMHOMX-TZMCWYRMSA-N 0 0 340.807 3.117 10 5 EGBERN O=C(Nc1ncn(C2CCCCC2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000273110459 266977593 /nfs/dbraw/zinc/97/75/93/266977593.db2.gz CEWMHXUBJDGDFI-UHFFFAOYSA-N 0 0 333.323 3.083 10 5 EGBERN CC(C)(C)OC(=O)Cc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000274130633 267185449 /nfs/dbraw/zinc/18/54/49/267185449.db2.gz BQQFQMHOGZQFRN-UHFFFAOYSA-N 0 0 344.327 3.010 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@]1(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000275156938 267324206 /nfs/dbraw/zinc/32/42/06/267324206.db2.gz TWYASZDJBLFFPC-SJLPKXTDSA-N 0 0 349.431 3.383 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C1CCOCC1 ZINC000275906761 267449728 /nfs/dbraw/zinc/44/97/28/267449728.db2.gz VJMUTAKXBDFCAJ-SNVBAGLBSA-N 0 0 326.780 3.102 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277602322 267827539 /nfs/dbraw/zinc/82/75/39/267827539.db2.gz VIGAZICXPRMPHT-LBPRGKRZSA-N 0 0 345.321 3.121 10 5 EGBERN Cc1sc(C(=O)NCc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000277877451 267890693 /nfs/dbraw/zinc/89/06/93/267890693.db2.gz DWZYSSZBSIXXPK-UHFFFAOYSA-N 0 0 331.397 3.169 10 5 EGBERN CC(C)Cc1nsc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000278123620 267945891 /nfs/dbraw/zinc/94/58/91/267945891.db2.gz YPIMMLKWTOKAJX-UHFFFAOYSA-N 0 0 332.389 3.133 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000192739867 274862762 /nfs/dbraw/zinc/86/27/62/274862762.db2.gz JDZNEQQQGDJCJP-MRXNPFEDSA-N 0 0 337.383 3.317 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000044623600 275131967 /nfs/dbraw/zinc/13/19/67/275131967.db2.gz JYVUYGIGXHMGDV-CQSZACIVSA-N 0 0 325.368 3.148 10 5 EGBERN C[C@H](Oc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376686 275161837 /nfs/dbraw/zinc/16/18/37/275161837.db2.gz ITRNPRDHQPTGBQ-STQMWFEESA-N 0 0 326.352 3.340 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278816448 275277433 /nfs/dbraw/zinc/27/74/33/275277433.db2.gz PKWBTOGTHKLZLR-GHMZBOCLSA-N 0 0 345.321 3.196 10 5 EGBERN O=[N+]([O-])c1cc(CN2CC[C@H](CC(F)(F)F)C2)c2c(c1)COCO2 ZINC000278856797 275281447 /nfs/dbraw/zinc/28/14/47/275281447.db2.gz RVDRQWVYDZEVQE-SNVBAGLBSA-N 0 0 346.305 3.236 10 5 EGBERN COC(=O)CCCCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279066672 275300937 /nfs/dbraw/zinc/30/09/37/275300937.db2.gz NWLJVOGISQPGJA-UHFFFAOYSA-N 0 0 342.779 3.020 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000279132748 275306699 /nfs/dbraw/zinc/30/66/99/275306699.db2.gz CCXNWUUMFXLBTL-UHFFFAOYSA-N 0 0 347.346 3.494 10 5 EGBERN C[C@@H]1C[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279617624 275344351 /nfs/dbraw/zinc/34/43/51/275344351.db2.gz XZPGMFQGFWFJAZ-SCZZXKLOSA-N 0 0 331.294 3.069 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc([N+](=O)[O-])c1 ZINC000281330478 275540681 /nfs/dbraw/zinc/54/06/81/275540681.db2.gz QOOJAOCYELUARO-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN C[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000281936452 275590033 /nfs/dbraw/zinc/59/00/33/275590033.db2.gz RVKVKVWVJIRGPP-ILWJIGKKSA-N 0 0 344.209 3.368 10 5 EGBERN Cc1cn([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc1[N+](=O)[O-] ZINC000282145556 275606211 /nfs/dbraw/zinc/60/62/11/275606211.db2.gz BIQVEBIVSWEQEW-NEPJUHHUSA-N 0 0 342.355 3.284 10 5 EGBERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284761605 275824379 /nfs/dbraw/zinc/82/43/79/275824379.db2.gz YLGGJGNGZCZSPB-SKDZVZGDSA-N 0 0 344.415 3.381 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000286833933 276048251 /nfs/dbraw/zinc/04/82/51/276048251.db2.gz YNLXPWVUBGJQQN-GFCCVEGCSA-N 0 0 342.342 3.214 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccs2)C1 ZINC000287685953 276147324 /nfs/dbraw/zinc/14/73/24/276147324.db2.gz CRVIPOAWBMHFSP-OAHLLOKOSA-N 0 0 332.381 3.437 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000287791894 276157585 /nfs/dbraw/zinc/15/75/85/276157585.db2.gz WBIDYTAHPSWLOC-IUODEOHRSA-N 0 0 337.445 3.488 10 5 EGBERN COc1cc(N2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])cc1F ZINC000288135215 276185603 /nfs/dbraw/zinc/18/56/03/276185603.db2.gz AAGICCNQNSVCNH-UHFFFAOYSA-N 0 0 346.314 3.120 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000373815562 277389681 /nfs/dbraw/zinc/38/96/81/277389681.db2.gz OLKDFRDQHKQHFF-ZDUSSCGKSA-N 0 0 347.396 3.176 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCc3cc(OC)c(F)cc3C2)c1 ZINC000338690117 277431613 /nfs/dbraw/zinc/43/16/13/277431613.db2.gz SIEMSOQYMZEEJN-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN CC(C)Oc1ncccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000340972462 277704371 /nfs/dbraw/zinc/70/43/71/277704371.db2.gz LPVOSMLHJPJLEL-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000377437775 279158172 /nfs/dbraw/zinc/15/81/72/279158172.db2.gz HXOKLHINCXKPNU-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000362249549 279313421 /nfs/dbraw/zinc/31/34/21/279313421.db2.gz IOWPDKPFYXRNKS-NSHDSACASA-N 0 0 346.305 3.253 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000097105112 280320259 /nfs/dbraw/zinc/32/02/59/280320259.db2.gz OISDMEJLCANJSG-MRXNPFEDSA-N 0 0 325.368 3.448 10 5 EGBERN Cc1cc(N2CCO[C@H]3CCC[C@H]32)c(Br)cc1[N+](=O)[O-] ZINC000408298395 280565059 /nfs/dbraw/zinc/56/50/59/280565059.db2.gz OFQZAJGAAJGYBQ-RISCZKNCSA-N 0 0 341.205 3.423 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000190316676 294072403 /nfs/dbraw/zinc/07/24/03/294072403.db2.gz DQWYREBDSBIKFN-LBPRGKRZSA-N 0 0 332.381 3.478 10 5 EGBERN NC(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000366989374 295114290 /nfs/dbraw/zinc/11/42/90/295114290.db2.gz XLDZITYYFAPXAD-CQSZACIVSA-N 0 0 345.786 3.227 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1ccco1 ZINC000377685776 304518757 /nfs/dbraw/zinc/51/87/57/304518757.db2.gz CJWOPULSVLGEEJ-CYBMUJFWSA-N 0 0 336.731 3.055 10 5 EGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000408106115 300294712 /nfs/dbraw/zinc/29/47/12/300294712.db2.gz JFXQAMZYSSEWFA-XPTSAGLGSA-N 0 0 347.198 3.286 10 5 EGBERN O=C(C1CCC1)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035515752 303554583 /nfs/dbraw/zinc/55/45/83/303554583.db2.gz HQQNNOGBCVHFFH-QGZVFWFLSA-N 0 0 325.368 3.128 10 5 EGBERN CC(C)N(C[C@@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000413591739 309038806 /nfs/dbraw/zinc/03/88/06/309038806.db2.gz JHJBHBSOSJPLKB-NSHDSACASA-N 0 0 345.321 3.107 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000080663317 307434539 /nfs/dbraw/zinc/43/45/39/307434539.db2.gz KFQIARURQMSMLH-LLVKDONJSA-N 0 0 334.397 3.470 10 5 EGBERN O=C(Nc1cccc(F)c1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124369036 307548161 /nfs/dbraw/zinc/54/81/61/307548161.db2.gz KIHIXBARUPYATK-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)C)c(O)cc2C)n1 ZINC000138487488 307719605 /nfs/dbraw/zinc/71/96/05/307719605.db2.gz YPKHPEDKUYYWHM-UHFFFAOYSA-N 0 0 332.360 3.201 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000147319540 307721897 /nfs/dbraw/zinc/72/18/97/307721897.db2.gz BTASOWCQYSQLNG-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN CCc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151303967 307731244 /nfs/dbraw/zinc/73/12/44/307731244.db2.gz UMMHDKBDUKSAMH-ZDUSSCGKSA-N 0 0 348.424 3.338 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2(c3ccccc3)CCC2)c1 ZINC000151608855 307735685 /nfs/dbraw/zinc/73/56/85/307735685.db2.gz UIIDROURVWCXDZ-UHFFFAOYSA-N 0 0 346.408 3.094 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000151829371 307739711 /nfs/dbraw/zinc/73/97/11/307739711.db2.gz WPDWFZFEHXKKQT-GFCCVEGCSA-N 0 0 332.381 3.048 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000153440391 307773123 /nfs/dbraw/zinc/77/31/23/307773123.db2.gz WPQJIHJZGVNRCX-CQSZACIVSA-N 0 0 329.331 3.124 10 5 EGBERN CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000154550410 307796142 /nfs/dbraw/zinc/79/61/42/307796142.db2.gz MFMVYRMPJNXXHU-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160316060 307887959 /nfs/dbraw/zinc/88/79/59/307887959.db2.gz RYRLMZZBVNTLHW-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161084150 307898102 /nfs/dbraw/zinc/89/81/02/307898102.db2.gz PMFXMYDLAFISSZ-ZWNOBZJWSA-N 0 0 334.401 3.119 10 5 EGBERN C[C@]12CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000292969509 308085373 /nfs/dbraw/zinc/08/53/73/308085373.db2.gz WMLYUJLQJQPWGA-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN CCOC1(C)CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293011882 308089757 /nfs/dbraw/zinc/08/97/57/308089757.db2.gz ZZAXGCIAPJYFFC-BUHFOSPRSA-N 0 0 332.400 3.416 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(C2CC2)n1 ZINC000293979098 308179793 /nfs/dbraw/zinc/17/97/93/308179793.db2.gz SQQAPNGTJDROQA-UHFFFAOYSA-N 0 0 331.303 3.024 10 5 EGBERN Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)no1 ZINC000294226790 308201524 /nfs/dbraw/zinc/20/15/24/308201524.db2.gz VMBXWSNHAJZCAW-UHFFFAOYSA-N 0 0 343.261 3.182 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000295272376 308309847 /nfs/dbraw/zinc/30/98/47/308309847.db2.gz HUEFMUKPNFWZRV-CQSZACIVSA-N 0 0 340.383 3.247 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000295642274 308346185 /nfs/dbraw/zinc/34/61/85/308346185.db2.gz TXWNBBGPKKANJI-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN Cc1c(OS(=O)(=O)C[C@@H]2CCCC2(F)F)cccc1[N+](=O)[O-] ZINC000296695528 308456801 /nfs/dbraw/zinc/45/68/01/308456801.db2.gz KFJCCNDCSVBYQM-JTQLQIEISA-N 0 0 335.328 3.047 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000298092787 308584181 /nfs/dbraw/zinc/58/41/81/308584181.db2.gz ZVZGZEVRCJBVDO-SWLSCSKDSA-N 0 0 329.356 3.287 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000301510700 308703155 /nfs/dbraw/zinc/70/31/55/308703155.db2.gz BJGLCKZYUJCLOL-IUODEOHRSA-N 0 0 329.400 3.256 10 5 EGBERN COC(=O)c1cc(NCc2cccc(OC)c2)cc(C)c1[N+](=O)[O-] ZINC000301584145 308706121 /nfs/dbraw/zinc/70/61/21/308706121.db2.gz UNWIRCNVKXSCIK-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000301700558 308711550 /nfs/dbraw/zinc/71/15/50/308711550.db2.gz FMXFTLYSLIWYFA-CYBMUJFWSA-N 0 0 340.343 3.244 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](c4ccccc4)CC3)nn21 ZINC000302009200 308725031 /nfs/dbraw/zinc/72/50/31/308725031.db2.gz VPDGONGZZXCVCC-OAHLLOKOSA-N 0 0 337.383 3.412 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302046279 308726894 /nfs/dbraw/zinc/72/68/94/308726894.db2.gz KVLSZEWRNNASLE-IINYFYTJSA-N 0 0 344.458 3.076 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)c(F)c2)c1 ZINC000302123208 308729757 /nfs/dbraw/zinc/72/97/57/308729757.db2.gz YSAQPBFDQGCSDA-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000302144091 308730721 /nfs/dbraw/zinc/73/07/21/308730721.db2.gz GFXBFUZSZJCFMA-CJNGLKHVSA-N 0 0 336.388 3.245 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC[C@@](C)(O)c2ccccc2)c1 ZINC000302362143 308736358 /nfs/dbraw/zinc/73/63/58/308736358.db2.gz DBLCJKCZKJMRTC-QGZVFWFLSA-N 0 0 334.347 3.452 10 5 EGBERN CSCc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000302490459 308738090 /nfs/dbraw/zinc/73/80/90/308738090.db2.gz JXBIWGCWTMFVQQ-UHFFFAOYSA-N 0 0 329.385 3.113 10 5 EGBERN Cc1cc(N(C)C[C@H]2CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000302677832 308741789 /nfs/dbraw/zinc/74/17/89/308741789.db2.gz NNGNARVACMDTGA-SNVBAGLBSA-N 0 0 329.194 3.281 10 5 EGBERN Cc1cc(NCc2nn(C)cc2Br)c(F)cc1[N+](=O)[O-] ZINC000393375458 308902491 /nfs/dbraw/zinc/90/24/91/308902491.db2.gz UQCLAQKKYMOXRI-UHFFFAOYSA-N 0 0 343.156 3.150 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000411547583 308943701 /nfs/dbraw/zinc/94/37/01/308943701.db2.gz DHCFMSQYEDTUDU-RDTXWAMCSA-N 0 0 344.342 3.105 10 5 EGBERN CO[C@](C)([C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000412598875 308993115 /nfs/dbraw/zinc/99/31/15/308993115.db2.gz QGIAPPHVXVLFNV-DYZYQPBXSA-N 0 0 331.372 3.010 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000412787243 309002739 /nfs/dbraw/zinc/00/27/39/309002739.db2.gz WZVHMROYGCTBLC-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC(C)(C)C1 ZINC000412813462 309003941 /nfs/dbraw/zinc/00/39/41/309003941.db2.gz PCRKXSLNDDWVME-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000412824702 309004627 /nfs/dbraw/zinc/00/46/27/309004627.db2.gz IGQAQHDMSRJAQV-SECBINFHSA-N 0 0 348.380 3.494 10 5 EGBERN CC(C)c1noc(CCCNc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413084611 309015342 /nfs/dbraw/zinc/01/53/42/309015342.db2.gz MEDNWUAGGSWGPM-UHFFFAOYSA-N 0 0 341.371 3.116 10 5 EGBERN CCC1(CC)CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[S@]1=O ZINC000413244703 309023348 /nfs/dbraw/zinc/02/33/48/309023348.db2.gz ZSQMQPBOBAEROY-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN C[C@@H](CCCc1cccnc1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000413391633 309030181 /nfs/dbraw/zinc/03/01/81/309030181.db2.gz GZABNXJPBAAURN-LBPRGKRZSA-N 0 0 325.372 3.111 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc2c(s1)CCC2 ZINC000415614836 309138684 /nfs/dbraw/zinc/13/86/84/309138684.db2.gz BRKABPRQZZICAF-UHFFFAOYSA-N 0 0 333.369 3.191 10 5 EGBERN C[C@@H]1C[C@H]1N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000415889753 309146221 /nfs/dbraw/zinc/14/62/21/309146221.db2.gz JEIIRVLROMRWBD-BXUZGUMPSA-N 0 0 340.335 3.379 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000416367327 309170271 /nfs/dbraw/zinc/17/02/71/309170271.db2.gz DZPIWWLFPZFHBX-OAHLLOKOSA-N 0 0 346.408 3.347 10 5 EGBERN Cc1cc(S(=O)(=O)N(C2CCC2)C2CCC2)c(C)cc1[N+](=O)[O-] ZINC000416489480 309172315 /nfs/dbraw/zinc/17/23/15/309172315.db2.gz QFCSAHWJJCGUON-UHFFFAOYSA-N 0 0 338.429 3.307 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000416746139 309179353 /nfs/dbraw/zinc/17/93/53/309179353.db2.gz GVNRUYOIIFLGOE-HOTGVXAUSA-N 0 0 337.420 3.406 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000417152747 309195209 /nfs/dbraw/zinc/19/52/09/309195209.db2.gz NSDOPWPHHYNWMO-MRXNPFEDSA-N 0 0 333.388 3.190 10 5 EGBERN C[C@@H]1CC[C@@H](O)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420628294 309290800 /nfs/dbraw/zinc/29/08/00/309290800.db2.gz FECMGUWUGVDYND-BXUZGUMPSA-N 0 0 331.347 3.146 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1[C@H](C)C1CC1 ZINC000421501430 309327317 /nfs/dbraw/zinc/32/73/17/309327317.db2.gz DFEMFGTUIQVUNE-CYBMUJFWSA-N 0 0 342.399 3.362 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)n1 ZINC000421723595 309337018 /nfs/dbraw/zinc/33/70/18/309337018.db2.gz WHACWWIJWJEPCI-AWEZNQCLSA-N 0 0 342.399 3.220 10 5 EGBERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]1 ZINC000421794091 309340436 /nfs/dbraw/zinc/34/04/36/309340436.db2.gz ZTCHDWZLNYBVCD-AWEZNQCLSA-N 0 0 343.387 3.006 10 5 EGBERN O=C(N[C@H]1CC12CC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000424993409 309461270 /nfs/dbraw/zinc/46/12/70/309461270.db2.gz WTTWMHWZWBLDLY-KRWDZBQOSA-N 0 0 337.379 3.489 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000425632612 309488761 /nfs/dbraw/zinc/48/87/61/309488761.db2.gz ROCWGCMMRLJTKM-DOMZBBRYSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000427360844 309527636 /nfs/dbraw/zinc/52/76/36/309527636.db2.gz USDLXBORHTXCRP-UHFFFAOYSA-N 0 0 338.367 3.326 10 5 EGBERN CCSCc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000427385824 309528075 /nfs/dbraw/zinc/52/80/75/309528075.db2.gz ZSZYILOSIHKEGD-UHFFFAOYSA-N 0 0 334.401 3.317 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CCCC2 ZINC000430246935 309603315 /nfs/dbraw/zinc/60/33/15/309603315.db2.gz GABBNUHEUQMILC-IINYFYTJSA-N 0 0 338.791 3.464 10 5 EGBERN Cc1nc([C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C2CC2)no1 ZINC000455082224 310343698 /nfs/dbraw/zinc/34/36/98/310343698.db2.gz IWAUAMDVPMICNA-MRXNPFEDSA-N 0 0 345.359 3.042 10 5 EGBERN Cc1cc(NC(=O)N2CCC3(CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000455085146 310343860 /nfs/dbraw/zinc/34/38/60/310343860.db2.gz PWZAPUVELJRXPE-UHFFFAOYSA-N 0 0 347.415 3.452 10 5 EGBERN COC(=O)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434952062 309722607 /nfs/dbraw/zinc/72/26/07/309722607.db2.gz UWIHCGPQUFPKMI-LBPRGKRZSA-N 0 0 335.747 3.012 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000435263061 309728164 /nfs/dbraw/zinc/72/81/64/309728164.db2.gz NQGVJQLCFKWAOD-SECBINFHSA-N 0 0 339.189 3.396 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nncn2-c2ccccc2)c2cccnc21 ZINC000435803127 309740892 /nfs/dbraw/zinc/74/08/92/309740892.db2.gz BPEUOGIXZPVECI-UHFFFAOYSA-N 0 0 347.334 3.303 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000435999265 309744518 /nfs/dbraw/zinc/74/45/18/309744518.db2.gz XSRUHICGZLHTPI-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000437374907 309791601 /nfs/dbraw/zinc/79/16/01/309791601.db2.gz QANNMDLOWPLOFY-KGLIPLIRSA-N 0 0 348.305 3.482 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438146016 309807993 /nfs/dbraw/zinc/80/79/93/309807993.db2.gz NYDJHSDSDUAGPV-WTOJCKNJSA-N 0 0 340.379 3.207 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@H](C)[C@H]1C ZINC000438404389 309813672 /nfs/dbraw/zinc/81/36/72/309813672.db2.gz SHADDHVLCVDKSE-LPWJVIDDSA-N 0 0 338.429 3.100 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CC[C@H](O)CC1 ZINC000438893326 309822114 /nfs/dbraw/zinc/82/21/14/309822114.db2.gz KYALFTGUYUKVEK-SHTZXODSSA-N 0 0 327.384 3.397 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439085058 309825977 /nfs/dbraw/zinc/82/59/77/309825977.db2.gz MMAUUOAYNRJIAI-MRXNPFEDSA-N 0 0 340.379 3.312 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)cc1OC(F)F ZINC000439096194 309826136 /nfs/dbraw/zinc/82/61/36/309826136.db2.gz VWULYIPSZXQTNI-NEPJUHHUSA-N 0 0 342.342 3.449 10 5 EGBERN C/C=C\C[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OCC ZINC000439717412 309838731 /nfs/dbraw/zinc/83/87/31/309838731.db2.gz FJYVOGNWAJODFQ-PKYBCLHXSA-N 0 0 348.399 3.346 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000446324930 309960338 /nfs/dbraw/zinc/96/03/38/309960338.db2.gz XBUHQPGIRJOCGJ-HNNXBMFYSA-N 0 0 331.416 3.313 10 5 EGBERN CCc1ccc(C(=O)Nc2cc(C)cc(OCCO)c2)cc1[N+](=O)[O-] ZINC000446572210 309963889 /nfs/dbraw/zinc/96/38/89/309963889.db2.gz NFFHWXAIOLKVTN-UHFFFAOYSA-N 0 0 344.367 3.089 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446614375 309964742 /nfs/dbraw/zinc/96/47/42/309964742.db2.gz ZPQZWTFHIGWVQU-OPRDCNLKSA-N 0 0 346.305 3.252 10 5 EGBERN Cn1cc([C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000447376135 309977888 /nfs/dbraw/zinc/97/78/88/309977888.db2.gz VCPASONGACBJIC-GFCCVEGCSA-N 0 0 348.712 3.375 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3SCCc4ccccc43)nc2c1 ZINC000447674370 309985569 /nfs/dbraw/zinc/98/55/69/309985569.db2.gz BZWUHDODAFPZBR-INIZCTEOSA-N 0 0 340.408 3.336 10 5 EGBERN CCOc1cccc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447690232 309985854 /nfs/dbraw/zinc/98/58/54/309985854.db2.gz WQNSZQZHQCDNEV-LLVKDONJSA-N 0 0 326.356 3.465 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000448493659 310004847 /nfs/dbraw/zinc/00/48/47/310004847.db2.gz YKMQQSLVEICYBK-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450005512 310098510 /nfs/dbraw/zinc/09/85/10/310098510.db2.gz WFOWJYVSOBUTFQ-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000450066410 310101660 /nfs/dbraw/zinc/10/16/60/310101660.db2.gz LSPHMNZTVIWMQS-GJZGRUSLSA-N 0 0 340.383 3.043 10 5 EGBERN O=C(c1cnc(C2CC2)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450182752 310107417 /nfs/dbraw/zinc/10/74/17/310107417.db2.gz HIUBEYZDAXMWJG-UHFFFAOYSA-N 0 0 338.367 3.067 10 5 EGBERN Cc1cccc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450659030 310135640 /nfs/dbraw/zinc/13/56/40/310135640.db2.gz PDZZAQITWUCNKT-MAUKXSAKSA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000450789418 310142755 /nfs/dbraw/zinc/14/27/55/310142755.db2.gz GKTHGXUHXFLMOP-BLLLJJGKSA-N 0 0 347.346 3.470 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000450813164 310143702 /nfs/dbraw/zinc/14/37/02/310143702.db2.gz OGJUASDOZSEZMG-SNVBAGLBSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@H]2c2ccc(F)cc2)n1 ZINC000450840372 310145339 /nfs/dbraw/zinc/14/53/39/310145339.db2.gz XDCLXSKZXLQPNT-HNNXBMFYSA-N 0 0 331.347 3.324 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451317502 310171280 /nfs/dbraw/zinc/17/12/80/310171280.db2.gz WLELTXPMUHCURF-UPJWGTAASA-N 0 0 342.399 3.492 10 5 EGBERN C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000452182853 310217326 /nfs/dbraw/zinc/21/73/26/310217326.db2.gz MNIFEIQKWDXGCH-NSHDSACASA-N 0 0 346.387 3.085 10 5 EGBERN O=C(NCCCC1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000452211271 310218785 /nfs/dbraw/zinc/21/87/85/310218785.db2.gz VXUFKHWJPCKGJE-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN Cc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)c(C)c1 ZINC000452303091 310222178 /nfs/dbraw/zinc/22/21/78/310222178.db2.gz YKIKNZVAAHWGLJ-UHFFFAOYSA-N 0 0 339.395 3.377 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452599918 310234033 /nfs/dbraw/zinc/23/40/33/310234033.db2.gz VFRZPYWNDXERPR-YRGRVCCFSA-N 0 0 338.429 3.120 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452603622 310234316 /nfs/dbraw/zinc/23/43/16/310234316.db2.gz SQUBUYGKHNBPAF-ZYNLMZJJSA-N 0 0 337.379 3.360 10 5 EGBERN CCCCOCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453228500 310265483 /nfs/dbraw/zinc/26/54/83/310265483.db2.gz BYIBRVUDVAGQFB-UHFFFAOYSA-N 0 0 332.360 3.320 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)O1 ZINC000453230687 310265633 /nfs/dbraw/zinc/26/56/33/310265633.db2.gz DLYFBLZWUKFOBS-FCHSOHFDSA-N 0 0 344.371 3.489 10 5 EGBERN CO[C@@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C(C)C ZINC000453241279 310266263 /nfs/dbraw/zinc/26/62/63/310266263.db2.gz UEJHCMBSBCEBQB-CQSZACIVSA-N 0 0 332.360 3.346 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000454293303 310301797 /nfs/dbraw/zinc/30/17/97/310301797.db2.gz BBYZSCKZIRUGRL-BZUAXINKSA-N 0 0 333.388 3.142 10 5 EGBERN COCc1csc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000454884127 310334068 /nfs/dbraw/zinc/33/40/68/310334068.db2.gz NCKLPUWJGJWWBB-VIFPVBQESA-N 0 0 336.373 3.080 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000456112748 310389053 /nfs/dbraw/zinc/38/90/53/310389053.db2.gz GSHQPEXOCPTHNA-RKDXNWHRSA-N 0 0 348.325 3.073 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000456114915 310389085 /nfs/dbraw/zinc/38/90/85/310389085.db2.gz QXVVZQOBPULYTQ-UNEWFSDZSA-N 0 0 332.400 3.059 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cnc[nH]1 ZINC000456138016 310390205 /nfs/dbraw/zinc/39/02/05/310390205.db2.gz JZSJMYDQMAZSEL-AWEZNQCLSA-N 0 0 342.399 3.002 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456257725 310395226 /nfs/dbraw/zinc/39/52/26/310395226.db2.gz UYUHEUZICTWEQG-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456397329 310403845 /nfs/dbraw/zinc/40/38/45/310403845.db2.gz BTXJPVWZGWXDGB-AWEZNQCLSA-N 0 0 348.790 3.199 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456581111 310413406 /nfs/dbraw/zinc/41/34/06/310413406.db2.gz YQJYFVNUQNLTSW-KRWDZBQOSA-N 0 0 342.351 3.320 10 5 EGBERN CCOc1ccc(C(=O)N2CC(C)(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000457148689 310440569 /nfs/dbraw/zinc/44/05/69/310440569.db2.gz WJBRJMMNQYBWEP-UHFFFAOYSA-N 0 0 346.305 3.408 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCC1CC(F)(F)C1 ZINC000457175154 310441856 /nfs/dbraw/zinc/44/18/56/310441856.db2.gz DUAYOEFOOQYTPX-UHFFFAOYSA-N 0 0 340.326 3.109 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000465744341 310637056 /nfs/dbraw/zinc/63/70/56/310637056.db2.gz CNDXTANOBJXYBN-SJORKVTESA-N 0 0 331.416 3.405 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465746481 310637164 /nfs/dbraw/zinc/63/71/64/310637164.db2.gz FBLNRAHNVVULDC-ZDUSSCGKSA-N 0 0 345.374 3.207 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC/C=C\c1ccccc1 ZINC000470956108 310731118 /nfs/dbraw/zinc/73/11/18/310731118.db2.gz AUDDBPQWBIYKFR-YFHOEESVSA-N 0 0 326.352 3.437 10 5 EGBERN CCc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1C ZINC000487329052 311020515 /nfs/dbraw/zinc/02/05/15/311020515.db2.gz XSNRUNBWKFMFME-UHFFFAOYSA-N 0 0 328.324 3.447 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](C2CCOCC2)C1 ZINC000488099319 311051078 /nfs/dbraw/zinc/05/10/78/311051078.db2.gz KJYIWNOGDPJHSN-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN COc1cc(CN(C)c2c3ccccc3ncc2[N+](=O)[O-])ccc1O ZINC000488099274 311051135 /nfs/dbraw/zinc/05/11/35/311051135.db2.gz KCJPXVHRAAJFEM-UHFFFAOYSA-N 0 0 339.351 3.494 10 5 EGBERN C[C@@H]1CSCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000489567404 311112431 /nfs/dbraw/zinc/11/24/31/311112431.db2.gz WPGYVFUXROMURC-VIFPVBQESA-N 0 0 346.355 3.021 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000490869286 311155491 /nfs/dbraw/zinc/15/54/91/311155491.db2.gz DMGNUVQGRTVRME-LLVKDONJSA-N 0 0 328.315 3.058 10 5 EGBERN CO[C@@H](C)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000493079725 311324523 /nfs/dbraw/zinc/32/45/23/311324523.db2.gz MZAWBCODSRCXAR-KBPBESRZSA-N 0 0 337.420 3.419 10 5 EGBERN Cc1ncc(CNc2ncc([N+](=O)[O-])cc2Br)s1 ZINC000081941298 453918809 /nfs/dbraw/zinc/91/88/09/453918809.db2.gz XIOXHQKOLHWDBH-UHFFFAOYSA-N 0 0 329.179 3.129 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000497318130 311854770 /nfs/dbraw/zinc/85/47/70/311854770.db2.gz GTVJGCGGIZGQMC-LBPRGKRZSA-N 0 0 329.356 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc2[nH]ccc21 ZINC000502024160 311957935 /nfs/dbraw/zinc/95/79/35/311957935.db2.gz REDYPFMGJZXGRV-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN COc1ccc(C)cc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504294093 312003319 /nfs/dbraw/zinc/00/33/19/312003319.db2.gz YQAYCWKUKKDGOB-CYBMUJFWSA-N 0 0 340.379 3.432 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2)CC1 ZINC000505307709 312019388 /nfs/dbraw/zinc/01/93/88/312019388.db2.gz IIOAKLHIQZUXFS-UHFFFAOYSA-N 0 0 341.411 3.316 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)cc1F ZINC000507559236 312077493 /nfs/dbraw/zinc/07/74/93/312077493.db2.gz CLBYWEXIRCSXAA-LLVKDONJSA-N 0 0 343.358 3.391 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)C2)C1 ZINC000508423075 312094266 /nfs/dbraw/zinc/09/42/66/312094266.db2.gz RQWFFFHACUWMFQ-FZKQIMNGSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1cccc(N2CCC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000509498888 312118558 /nfs/dbraw/zinc/11/85/58/312118558.db2.gz DUTHKEZQWTZWGK-LJQANCHMSA-N 0 0 326.396 3.434 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000510382991 312139566 /nfs/dbraw/zinc/13/95/66/312139566.db2.gz RYVWLTLOXBZQEP-GJZGRUSLSA-N 0 0 332.400 3.306 10 5 EGBERN CCCC[C@H](COC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514181638 312226903 /nfs/dbraw/zinc/22/69/03/312226903.db2.gz BWUJZLQGSMSXLP-LLVKDONJSA-N 0 0 346.330 3.131 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCC[C@@H]12 ZINC000516710391 312338704 /nfs/dbraw/zinc/33/87/04/312338704.db2.gz PIBCCRUZXHEBTO-WOPDTQHZSA-N 0 0 344.458 3.246 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccnc2cccnc21 ZINC000517396161 312378399 /nfs/dbraw/zinc/37/83/99/312378399.db2.gz AHJHWLDUHSVXKO-UHFFFAOYSA-N 0 0 328.759 3.268 10 5 EGBERN CCOc1ccc(C(=O)NCC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000522688515 312596696 /nfs/dbraw/zinc/59/66/96/312596696.db2.gz SPYKTLFJWMWFID-UHFFFAOYSA-N 0 0 340.379 3.138 10 5 EGBERN CC[C@@H](O)CN(Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000525127671 312697781 /nfs/dbraw/zinc/69/77/81/312697781.db2.gz LUDQNZMUNQZZNK-QGZVFWFLSA-N 0 0 330.384 3.381 10 5 EGBERN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628391 313692699 /nfs/dbraw/zinc/69/26/99/313692699.db2.gz YBKVTRNEUWDVII-ZBFHGGJFSA-N 0 0 325.368 3.131 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000532393288 313793337 /nfs/dbraw/zinc/79/33/37/313793337.db2.gz ZRUOBWJAQJQZEJ-TVQRCGJNSA-N 0 0 335.722 3.068 10 5 EGBERN CCc1cccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cn3)c[nH]c21 ZINC000532393390 313793635 /nfs/dbraw/zinc/79/36/35/313793635.db2.gz SSSQEFHECSCASP-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532935446 313855243 /nfs/dbraw/zinc/85/52/43/313855243.db2.gz WUVXHVZTKIYUHN-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCCC2 ZINC000534005155 313947742 /nfs/dbraw/zinc/94/77/42/313947742.db2.gz KDZUOORXMDMECC-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000536779345 314145138 /nfs/dbraw/zinc/14/51/38/314145138.db2.gz OUADJLIOKBEOGR-CRAIPNDOSA-N 0 0 340.379 3.411 10 5 EGBERN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000538626982 314259318 /nfs/dbraw/zinc/25/93/18/314259318.db2.gz FIFAGJJPPPDWHA-UHFFFAOYSA-N 0 0 328.343 3.365 10 5 EGBERN CCC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000539780573 314336587 /nfs/dbraw/zinc/33/65/87/314336587.db2.gz CRYRLKMNMKBMHB-KRWDZBQOSA-N 0 0 339.395 3.458 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000543689150 314645673 /nfs/dbraw/zinc/64/56/73/314645673.db2.gz UGUPOTJVJJXRHJ-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ncccc12 ZINC000546726368 314853006 /nfs/dbraw/zinc/85/30/06/314853006.db2.gz BWVWKKQECMTFBK-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN COCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)co1 ZINC000547864912 314949704 /nfs/dbraw/zinc/94/97/04/314949704.db2.gz UENMKIMFVRRECF-UHFFFAOYSA-N 0 0 345.233 3.000 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC2(CC2)c2ccccc21 ZINC000548476942 315014143 /nfs/dbraw/zinc/01/41/43/315014143.db2.gz PJJXOWIUFVIIPC-UHFFFAOYSA-N 0 0 338.319 3.016 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](OC(F)F)C2)cc1C(F)(F)F ZINC000549260572 315084181 /nfs/dbraw/zinc/08/41/81/315084181.db2.gz DEMPWVDSLKZEBB-QMMMGPOBSA-N 0 0 326.221 3.432 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000550732271 315133515 /nfs/dbraw/zinc/13/35/15/315133515.db2.gz LZLXWJDPKJCRLU-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COC(=O)c1cc(C)nc(NC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000553036606 315242194 /nfs/dbraw/zinc/24/21/94/315242194.db2.gz BDKRYLPLJIYFPC-UHFFFAOYSA-N 0 0 341.367 3.443 10 5 EGBERN Cc1nc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)sc1C ZINC000559450032 315634092 /nfs/dbraw/zinc/63/40/92/315634092.db2.gz JHGYUUVDIDFJDB-UHFFFAOYSA-N 0 0 332.385 3.258 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000561112551 315741180 /nfs/dbraw/zinc/74/11/80/315741180.db2.gz OHRWSJAJUBBOCU-NSHDSACASA-N 0 0 347.346 3.421 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000563758503 316064994 /nfs/dbraw/zinc/06/49/94/316064994.db2.gz BTJJQSANHMRUOW-RYUDHWBXSA-N 0 0 330.388 3.059 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000566466047 316481697 /nfs/dbraw/zinc/48/16/97/316481697.db2.gz MCQNMDDBKKIDIU-LBPRGKRZSA-N 0 0 331.397 3.298 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(Oc2ncccc2F)CC1 ZINC000566483951 316485443 /nfs/dbraw/zinc/48/54/43/316485443.db2.gz YCWMCJRFMGQCCW-UHFFFAOYSA-N 0 0 347.346 3.185 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566679656 316512504 /nfs/dbraw/zinc/51/25/04/316512504.db2.gz BYWVDATUQJGUQC-SJKOYZFVSA-N 0 0 343.383 3.107 10 5 EGBERN CC(C)[C@@](C)(CO)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000567151465 316575956 /nfs/dbraw/zinc/57/59/56/316575956.db2.gz NXQKCGQPKHJYNB-QGZVFWFLSA-N 0 0 337.420 3.421 10 5 EGBERN CCS[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125784566 454846253 /nfs/dbraw/zinc/84/62/53/454846253.db2.gz QFHYSDADBXTQKV-AAEUAGOBSA-N 0 0 344.458 3.084 10 5 EGBERN C[C@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000567645978 316648618 /nfs/dbraw/zinc/64/86/18/316648618.db2.gz CAEGZCXMCGJOGA-GFCCVEGCSA-N 0 0 325.324 3.215 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000569237073 316886145 /nfs/dbraw/zinc/88/61/45/316886145.db2.gz AKKZMNGEUBIOFI-LBPRGKRZSA-N 0 0 329.331 3.067 10 5 EGBERN COc1ccc(CC(=O)N(C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000573039706 317427686 /nfs/dbraw/zinc/42/76/86/317427686.db2.gz OWLSOZYMBMCXSP-UHFFFAOYSA-N 0 0 346.358 3.252 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CCC(C)(C)C)C1=O ZINC000349281522 324005248 /nfs/dbraw/zinc/00/52/48/324005248.db2.gz VNGUCIKOLHARMZ-SMDDNHRTSA-N 0 0 333.388 3.403 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351223023 324200672 /nfs/dbraw/zinc/20/06/72/324200672.db2.gz MYGGIFBALRMNSW-QPKOPYBWSA-N 0 0 329.356 3.389 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000579026236 325052183 /nfs/dbraw/zinc/05/21/83/325052183.db2.gz UATSFYBSOJIGJD-APPDUMDISA-N 0 0 340.383 3.225 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC(F)(F)C1 ZINC000579279555 325088064 /nfs/dbraw/zinc/08/80/64/325088064.db2.gz OCZHMYCVADVXLH-SECBINFHSA-N 0 0 348.296 3.357 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC12CCCC2 ZINC000580623792 325274994 /nfs/dbraw/zinc/27/49/94/325274994.db2.gz HRWGBXDTEXSBGE-OAHLLOKOSA-N 0 0 327.384 3.315 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCCO[C@@H]1CCCCO1)CCCC2 ZINC000580642928 325277409 /nfs/dbraw/zinc/27/74/09/325277409.db2.gz NZDXSIISBQCSJP-MRXNPFEDSA-N 0 0 335.404 3.214 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(Cc2cccnc2)CC1 ZINC000581835181 325392046 /nfs/dbraw/zinc/39/20/46/325392046.db2.gz OSODFUZKBODBFS-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN CC(C)Oc1cncc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000581846327 325392536 /nfs/dbraw/zinc/39/25/36/325392536.db2.gz OMCVIHHLRZFWHH-UHFFFAOYSA-N 0 0 341.371 3.308 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000583346761 325515942 /nfs/dbraw/zinc/51/59/42/325515942.db2.gz HUGFHZFGDFOENQ-HALDLXJZSA-N 0 0 327.384 3.171 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000183074980 455223214 /nfs/dbraw/zinc/22/32/14/455223214.db2.gz HDMOPXYQJRKRLF-HVJHFUJKSA-N 0 0 342.351 3.191 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173205543 455247375 /nfs/dbraw/zinc/24/73/75/455247375.db2.gz QBFKPWAHSQIDGH-VHSXEESVSA-N 0 0 332.809 3.057 10 5 EGBERN CC[C@@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000180825080 455251896 /nfs/dbraw/zinc/25/18/96/455251896.db2.gz VYAYHVSAWSAABF-CYBMUJFWSA-N 0 0 343.383 3.406 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3c(c2)CCC(=O)N3)c1 ZINC000241287068 455266622 /nfs/dbraw/zinc/26/66/22/455266622.db2.gz LJOKNGXTBIWQSB-UHFFFAOYSA-N 0 0 342.307 3.058 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000000084864 452502554 /nfs/dbraw/zinc/50/25/54/452502554.db2.gz FACUDZOYEOFZNK-SJCJKPOMSA-N 0 0 328.324 3.086 10 5 EGBERN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)c1c[nH]c2ccccc12 ZINC000003452120 452768133 /nfs/dbraw/zinc/76/81/33/452768133.db2.gz GBNNRJMJTSPBHF-UHFFFAOYSA-N 0 0 348.318 3.281 10 5 EGBERN C[C@@H]1CC(=O)N(c2ccc(NCc3cccs3)c([N+](=O)[O-])c2)C1=O ZINC000004684382 452813249 /nfs/dbraw/zinc/81/32/49/452813249.db2.gz SXQOFYCBWBMJHK-SNVBAGLBSA-N 0 0 345.380 3.168 10 5 EGBERN CC(C)c1onc(C(=O)Nc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC000004937489 452826314 /nfs/dbraw/zinc/82/63/14/452826314.db2.gz WRQYOTHUHVIQBO-UHFFFAOYSA-N 0 0 325.708 3.318 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000005692169 452896038 /nfs/dbraw/zinc/89/60/38/452896038.db2.gz ANFBUIMGUUWVAM-ZDUSSCGKSA-N 0 0 325.368 3.293 10 5 EGBERN Cc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000005970232 452913944 /nfs/dbraw/zinc/91/39/44/452913944.db2.gz AIYXYXDPZZMPNE-OLZOCXBDSA-N 0 0 341.367 3.043 10 5 EGBERN COc1cc(C)c(Nc2nc3sccn3c2[N+](=O)[O-])cc1OC ZINC000008318369 453189809 /nfs/dbraw/zinc/18/98/09/453189809.db2.gz NABZPOSCKYSRBL-UHFFFAOYSA-N 0 0 334.357 3.373 10 5 EGBERN CC[C@H](NCc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 ZINC000181525549 455349324 /nfs/dbraw/zinc/34/93/24/455349324.db2.gz SCHFJLSYXQBCMA-ZDUSSCGKSA-N 0 0 328.328 3.479 10 5 EGBERN COc1cc(C(=O)N2CCCC3(CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000600769617 460596238 /nfs/dbraw/zinc/59/62/38/460596238.db2.gz PQJFYJQVJVGHEO-UHFFFAOYSA-N 0 0 334.372 3.018 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012729213 453395298 /nfs/dbraw/zinc/39/52/98/453395298.db2.gz NXJGGJBKUPXOQU-VXGBXAGGSA-N 0 0 330.306 3.375 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000014482795 453536638 /nfs/dbraw/zinc/53/66/38/453536638.db2.gz KROGBZPZHMXGRK-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN O=C(CSc1ccccn1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016753877 453621183 /nfs/dbraw/zinc/62/11/83/453621183.db2.gz ZAUYSXNWMOXKCY-UHFFFAOYSA-N 0 0 329.381 3.061 10 5 EGBERN O=[N+]([O-])c1c(Nc2ccc(N3CCCC3)nc2)nc2sccn21 ZINC000023618720 453713954 /nfs/dbraw/zinc/71/39/54/453713954.db2.gz XJVXKJQIAJZPLC-UHFFFAOYSA-N 0 0 330.373 3.043 10 5 EGBERN CCOc1cc(C(=O)N(C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000024396611 453733255 /nfs/dbraw/zinc/73/32/55/453733255.db2.gz DJFAHNJTTAAKMV-UHFFFAOYSA-N 0 0 348.355 3.176 10 5 EGBERN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025417450 453771215 /nfs/dbraw/zinc/77/12/15/453771215.db2.gz ZUMWBYLUIZEVNV-CQSZACIVSA-N 0 0 327.384 3.362 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000027013332 453809458 /nfs/dbraw/zinc/80/94/58/453809458.db2.gz XLTKKHZWUPVETD-UHFFFAOYSA-N 0 0 326.312 3.338 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066711803 453865883 /nfs/dbraw/zinc/86/58/83/453865883.db2.gz MWQRCXKPSKGVRE-CXAGYDPISA-N 0 0 326.352 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000067143839 453906624 /nfs/dbraw/zinc/90/66/24/453906624.db2.gz LRJRNHXUZDTVGI-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CCc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000081939176 453918674 /nfs/dbraw/zinc/91/86/74/453918674.db2.gz LBLWBGZMLIZKPP-UHFFFAOYSA-N 0 0 345.380 3.385 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c1cccc2F ZINC000055683643 454006119 /nfs/dbraw/zinc/00/61/19/454006119.db2.gz PNSAEODMCYKSSZ-HNNXBMFYSA-N 0 0 330.315 3.160 10 5 EGBERN CSc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000055747870 454012488 /nfs/dbraw/zinc/01/24/88/454012488.db2.gz RKXRGFZBEIACJQ-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN COc1cc(C(=O)N2CC(Cc3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000085478034 454031392 /nfs/dbraw/zinc/03/13/92/454031392.db2.gz ZRZHYIPLHCCYSG-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN Cc1cccc(C(=O)NC[C@@H]2CCN(C)c3ccccc32)c1[N+](=O)[O-] ZINC000056044980 454034715 /nfs/dbraw/zinc/03/47/15/454034715.db2.gz ZYDZOOAZUAFTON-AWEZNQCLSA-N 0 0 339.395 3.257 10 5 EGBERN CCc1ccc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000056108547 454038497 /nfs/dbraw/zinc/03/84/97/454038497.db2.gz LKZCMAVXIUMBTI-SNVBAGLBSA-N 0 0 340.426 3.258 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000076972248 454055442 /nfs/dbraw/zinc/05/54/42/454055442.db2.gz FQGSYWLROJDAHZ-OAHLLOKOSA-N 0 0 325.368 3.230 10 5 EGBERN COc1cc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000087055600 454059422 /nfs/dbraw/zinc/05/94/22/454059422.db2.gz JWLRICDOIDQEJL-UHFFFAOYSA-N 0 0 342.351 3.123 10 5 EGBERN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000056459810 454059977 /nfs/dbraw/zinc/05/99/77/454059977.db2.gz GQRWFFGYCKETPX-SNVBAGLBSA-N 0 0 335.310 3.433 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087062012 454059954 /nfs/dbraw/zinc/05/99/54/454059954.db2.gz CFGQMNZSEZVOSS-UHFFFAOYSA-N 0 0 333.775 3.234 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 ZINC000056460111 454060057 /nfs/dbraw/zinc/06/00/57/454060057.db2.gz RTXKILFYKOVJPW-QGZVFWFLSA-N 0 0 325.368 3.472 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000088253029 454096589 /nfs/dbraw/zinc/09/65/89/454096589.db2.gz TVRHBMQNTWOOKC-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1c(C(=O)Nc2nc3c(s2)C(=O)CCC3)cccc1[N+](=O)[O-] ZINC000044449172 454102422 /nfs/dbraw/zinc/10/24/22/454102422.db2.gz CKUQPQLAPMDEHM-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000089356159 454140263 /nfs/dbraw/zinc/14/02/63/454140263.db2.gz AROVGWBVWQVIFY-SFHVURJKSA-N 0 0 340.379 3.257 10 5 EGBERN COc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000159940406 455417916 /nfs/dbraw/zinc/41/79/16/455417916.db2.gz YOGKCUAIPYKSLF-MRXNPFEDSA-N 0 0 326.352 3.329 10 5 EGBERN C[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000077780084 454155009 /nfs/dbraw/zinc/15/50/09/454155009.db2.gz GFXAQZQEUJRICW-SUMWQHHRSA-N 0 0 343.383 3.079 10 5 EGBERN Cc1nn(C)c(C)c1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089738603 454187532 /nfs/dbraw/zinc/18/75/32/454187532.db2.gz QZFPVLZPGNNGSF-UHFFFAOYSA-N 0 0 328.328 3.179 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2ccccc2)CCCCC1 ZINC000070957208 454189175 /nfs/dbraw/zinc/18/91/75/454189175.db2.gz NLQGZDKAXNJRCX-UHFFFAOYSA-N 0 0 342.399 3.157 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000078240005 454214848 /nfs/dbraw/zinc/21/48/48/454214848.db2.gz GJLCYZJFYORXFA-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN O=C(Nc1cccc(OC(=O)c2csc([N+](=O)[O-])c2)c1)C1CC1 ZINC000046128740 454221476 /nfs/dbraw/zinc/22/14/76/454221476.db2.gz XCXDCVPPXSSYCB-UHFFFAOYSA-N 0 0 332.337 3.224 10 5 EGBERN COc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000078326246 454231842 /nfs/dbraw/zinc/23/18/42/454231842.db2.gz SKZBCHRHJYEVOH-JTQLQIEISA-N 0 0 330.344 3.023 10 5 EGBERN Cn1cc(N2CCC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000078367835 454242547 /nfs/dbraw/zinc/24/25/47/454242547.db2.gz QIVSBGICFIACII-GFCCVEGCSA-N 0 0 335.795 3.063 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952162 454245558 /nfs/dbraw/zinc/24/55/58/454245558.db2.gz MGTHXJFCGQXCMC-CHWSQXEVSA-N 0 0 340.420 3.220 10 5 EGBERN Cc1ccnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)n1 ZINC000095986944 454253631 /nfs/dbraw/zinc/25/36/31/454253631.db2.gz KJBGESIJACPIJK-CQSZACIVSA-N 0 0 346.774 3.228 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1c1ccccc1 ZINC000078460872 454256474 /nfs/dbraw/zinc/25/64/74/454256474.db2.gz ZVOLGHIITIBOGN-QMTHXVAHSA-N 0 0 346.774 3.249 10 5 EGBERN COC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090089469 454276819 /nfs/dbraw/zinc/27/68/19/454276819.db2.gz RMRRMVQNZSDMPT-AWEZNQCLSA-N 0 0 341.367 3.046 10 5 EGBERN COc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1F ZINC000090420486 454302951 /nfs/dbraw/zinc/30/29/51/454302951.db2.gz BYTKDYCGEVGXDC-UHFFFAOYSA-N 0 0 346.358 3.495 10 5 EGBERN CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466310 454309362 /nfs/dbraw/zinc/30/93/62/454309362.db2.gz NXYUIDKXBDYTRK-KRWDZBQOSA-N 0 0 344.367 3.493 10 5 EGBERN CC[C@H](NC(=O)CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000090466253 454309552 /nfs/dbraw/zinc/30/95/52/454309552.db2.gz UDLWGVYUAHIEAD-INIZCTEOSA-N 0 0 331.372 3.400 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090615987 454328681 /nfs/dbraw/zinc/32/86/81/454328681.db2.gz KDZVTJAVNYWRLM-BZNIZROVSA-N 0 0 345.403 3.008 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090688042 454337101 /nfs/dbraw/zinc/33/71/01/454337101.db2.gz XOMUZPCPYKJZRH-ZDUSSCGKSA-N 0 0 334.401 3.344 10 5 EGBERN COc1cc(N)c(OCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000079110484 454369175 /nfs/dbraw/zinc/36/91/75/454369175.db2.gz YWDNOKGRFIHVFL-UHFFFAOYSA-N 0 0 325.324 3.313 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2ccsc2)C1 ZINC000121124415 454394831 /nfs/dbraw/zinc/39/48/31/454394831.db2.gz IYEHIXIUQDABJG-AWEZNQCLSA-N 0 0 336.344 3.009 10 5 EGBERN O=c1ccccn1Cc1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000063264939 454400611 /nfs/dbraw/zinc/40/06/11/454400611.db2.gz ULYBWTCKXQDALH-UHFFFAOYSA-N 0 0 341.392 3.478 10 5 EGBERN CO[C@@]1(C)C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000073275281 454414791 /nfs/dbraw/zinc/41/47/91/454414791.db2.gz TYOWGUWPLJESFM-PBHICJAKSA-N 0 0 331.372 3.010 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1ccc2ccccc2c1 ZINC000048249687 454462392 /nfs/dbraw/zinc/46/23/92/454462392.db2.gz IQKLAVPWFDSCNE-UHFFFAOYSA-N 0 0 325.349 3.393 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)no1 ZINC000064331422 454474089 /nfs/dbraw/zinc/47/40/89/454474089.db2.gz KDODUIJZADNANT-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN CC(C)(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000065530698 454585063 /nfs/dbraw/zinc/58/50/63/454585063.db2.gz WHKSFCKGJPOUPP-UHFFFAOYSA-N 0 0 347.400 3.153 10 5 EGBERN COC(=O)Cc1cccc(Nc2cc(OC)cc(F)c2[N+](=O)[O-])c1 ZINC000092684730 454610080 /nfs/dbraw/zinc/61/00/80/454610080.db2.gz QZWORELBPSDDJE-UHFFFAOYSA-N 0 0 334.303 3.202 10 5 EGBERN Cc1cc(N2CCC3(CC2)OC[C@H](C)O3)c(Cl)cc1[N+](=O)[O-] ZINC000080645658 454611388 /nfs/dbraw/zinc/61/13/88/454611388.db2.gz JIATWZUMWWYBDM-NSHDSACASA-N 0 0 326.780 3.288 10 5 EGBERN CCOc1cc(NCc2nc(-c3cccs3)n[nH]2)ccc1[N+](=O)[O-] ZINC000080981225 454665497 /nfs/dbraw/zinc/66/54/97/454665497.db2.gz WSFJDVFIELWFMO-UHFFFAOYSA-N 0 0 345.384 3.452 10 5 EGBERN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000106710686 454713418 /nfs/dbraw/zinc/71/34/18/454713418.db2.gz JNRXKNXRCQHSRP-SNVBAGLBSA-N 0 0 334.401 3.205 10 5 EGBERN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] ZINC000106899555 454728883 /nfs/dbraw/zinc/72/88/83/454728883.db2.gz OJILRPWSZIOKGX-KRWDZBQOSA-N 0 0 339.351 3.332 10 5 EGBERN Cc1ccc([C@H]2CCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000124625929 454754692 /nfs/dbraw/zinc/75/46/92/454754692.db2.gz IJCGAJIHTBBKLU-OAHLLOKOSA-N 0 0 343.383 3.322 10 5 EGBERN Cc1cc(C)cc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153376173 454787593 /nfs/dbraw/zinc/78/75/93/454787593.db2.gz UDIJNGXDZJLGQH-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000177104752 454823111 /nfs/dbraw/zinc/82/31/11/454823111.db2.gz PQTFKSBDVTWIKZ-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177223106 454839558 /nfs/dbraw/zinc/83/95/58/454839558.db2.gz DAGJFJVQMDWFPG-AWEZNQCLSA-N 0 0 348.790 3.058 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1F ZINC000126023242 454864556 /nfs/dbraw/zinc/86/45/56/454864556.db2.gz GVIMCKRGMDVFIC-HNNXBMFYSA-N 0 0 335.310 3.458 10 5 EGBERN CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191467507 455487544 /nfs/dbraw/zinc/48/75/44/455487544.db2.gz CMIVAFIKJVBZLL-UHFFFAOYSA-N 0 0 342.808 3.188 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000154717546 454922756 /nfs/dbraw/zinc/92/27/56/454922756.db2.gz TVVHPTYQYVSOCM-JKSUJKDBSA-N 0 0 345.399 3.352 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167791165 454923859 /nfs/dbraw/zinc/92/38/59/454923859.db2.gz YQEVQMNHPDIJLT-TZMCWYRMSA-N 0 0 329.404 3.243 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113891558 454937618 /nfs/dbraw/zinc/93/76/18/454937618.db2.gz SEOZKLHTUXBLNS-CQSZACIVSA-N 0 0 334.763 3.339 10 5 EGBERN CCCOc1cc(C)ccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191554521 455496324 /nfs/dbraw/zinc/49/63/24/455496324.db2.gz ACQILIMQLQJWRI-UHFFFAOYSA-N 0 0 332.360 3.161 10 5 EGBERN COc1ccc(C(=O)NC[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000127548385 454976363 /nfs/dbraw/zinc/97/63/63/454976363.db2.gz NNRQQVRHURNDAK-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN CCc1ccc2nc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)sc2c1 ZINC000127653911 454985050 /nfs/dbraw/zinc/98/50/50/454985050.db2.gz SBALDSFPAPOVEM-UHFFFAOYSA-N 0 0 345.384 3.061 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccco2)n1 ZINC000191624649 455504826 /nfs/dbraw/zinc/50/48/26/455504826.db2.gz FZJPBHCEHNVSGA-LBPRGKRZSA-N 0 0 332.360 3.162 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170943731 455003050 /nfs/dbraw/zinc/00/30/50/455003050.db2.gz PPQGYBZJPKRILR-IAGOWNOFSA-N 0 0 340.379 3.366 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC(C)C ZINC000171249838 455051416 /nfs/dbraw/zinc/05/14/16/455051416.db2.gz REJSCCHBWISUEN-UHFFFAOYSA-N 0 0 333.319 3.477 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@H](OCC)C23CCC3)cc1[N+](=O)[O-] ZINC000152500370 455127873 /nfs/dbraw/zinc/12/78/73/455127873.db2.gz PCQPNTVEJLYLGQ-HOTGVXAUSA-N 0 0 348.399 3.071 10 5 EGBERN COC(=O)C1CCC(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000180331335 455158700 /nfs/dbraw/zinc/15/87/00/455158700.db2.gz NBKKJTYYBPCHCD-HSBZDZAISA-N 0 0 348.399 3.060 10 5 EGBERN Cc1nnnn1-c1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182870273 455181214 /nfs/dbraw/zinc/18/12/14/455181214.db2.gz MKJMBJOEXGXOOV-LBPRGKRZSA-N 0 0 338.371 3.360 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180588154 455203293 /nfs/dbraw/zinc/20/32/93/455203293.db2.gz QNPDRCBJSDXZBL-HNNXBMFYSA-N 0 0 329.360 3.385 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000189530522 455215386 /nfs/dbraw/zinc/21/53/86/455215386.db2.gz WHZSIHMVXVBTOK-UHFFFAOYSA-N 0 0 338.367 3.321 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]c2cc(F)ccc12 ZINC000181064042 455281833 /nfs/dbraw/zinc/28/18/33/455281833.db2.gz ZCAGGEMZRUGSPD-UHFFFAOYSA-N 0 0 342.330 3.057 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183408607 455289366 /nfs/dbraw/zinc/28/93/66/455289366.db2.gz ZWLLDIXWZDTFQL-MEBBXXQBSA-N 0 0 330.315 3.087 10 5 EGBERN C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1=O ZINC000190293685 455293597 /nfs/dbraw/zinc/29/35/97/455293597.db2.gz LXQSHOAXYQMJRV-JTQLQIEISA-N 0 0 345.321 3.427 10 5 EGBERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000174055579 455354608 /nfs/dbraw/zinc/35/46/08/455354608.db2.gz WHPVSPDRYJQWJE-GJZGRUSLSA-N 0 0 348.790 3.358 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000184484051 455388529 /nfs/dbraw/zinc/38/85/29/455388529.db2.gz QYDMGHVMICGLFO-HSYXRWIHSA-N 0 0 332.400 3.008 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1C ZINC000190982605 455418764 /nfs/dbraw/zinc/41/87/64/455418764.db2.gz WPEZWAHCLZAZEB-UHFFFAOYSA-N 0 0 342.351 3.489 10 5 EGBERN CC(C)N(C[C@@H](C)O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160249492 455441591 /nfs/dbraw/zinc/44/15/91/455441591.db2.gz QCRPZARTALQEQG-SECBINFHSA-N 0 0 349.309 3.237 10 5 EGBERN Cc1c(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000160307871 455446074 /nfs/dbraw/zinc/44/60/74/455446074.db2.gz LKAHEXZISRUPGK-GFCCVEGCSA-N 0 0 342.351 3.052 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CSC[C@@H](O)C(F)(F)F)co2)cc1 ZINC000191148924 455452971 /nfs/dbraw/zinc/45/29/71/455452971.db2.gz YXNHDOGFVGMZMP-LLVKDONJSA-N 0 0 348.302 3.406 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160575970 455476506 /nfs/dbraw/zinc/47/65/06/455476506.db2.gz BDVVTUPKXAYHOB-MAUKXSAKSA-N 0 0 328.368 3.419 10 5 EGBERN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000175695486 455483050 /nfs/dbraw/zinc/48/30/50/455483050.db2.gz HZECLWXPXYKHGO-CVEARBPZSA-N 0 0 349.431 3.354 10 5 EGBERN CC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000185084869 455499371 /nfs/dbraw/zinc/49/93/71/455499371.db2.gz IWYITQLMTVDGTA-LBPRGKRZSA-N 0 0 345.384 3.342 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601010830 460675047 /nfs/dbraw/zinc/67/50/47/460675047.db2.gz PGULXQWGTAIYBV-XYPWUTKMSA-N 0 0 344.411 3.039 10 5 EGBERN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000160991982 455521397 /nfs/dbraw/zinc/52/13/97/455521397.db2.gz YTPXFYDJDSMVRE-CABCVRRESA-N 0 0 336.436 3.225 10 5 EGBERN COc1cccc(N[C@@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000185554849 455577577 /nfs/dbraw/zinc/57/75/77/455577577.db2.gz PFEFDYXGTFOOML-LLVKDONJSA-N 0 0 348.790 3.343 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000192228799 455577771 /nfs/dbraw/zinc/57/77/71/455577771.db2.gz GFLIGHWHWRGICR-GXFFZTMASA-N 0 0 347.337 3.045 10 5 EGBERN CCc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000192230178 455577899 /nfs/dbraw/zinc/57/78/99/455577899.db2.gz OSVUXRPTCRLADV-UHFFFAOYSA-N 0 0 341.274 3.126 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000185800396 455624063 /nfs/dbraw/zinc/62/40/63/455624063.db2.gz RDKMPAXNRRHJPK-INIZCTEOSA-N 0 0 336.413 3.106 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000192524054 455635360 /nfs/dbraw/zinc/63/53/60/455635360.db2.gz KVMUJSUMYKCKDB-UHFFFAOYSA-N 0 0 346.387 3.463 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000277733828 455649124 /nfs/dbraw/zinc/64/91/24/455649124.db2.gz HHXYHQXZGWRONG-CYBMUJFWSA-N 0 0 336.391 3.345 10 5 EGBERN Cc1ccc(-c2noc(COc3cccnc3[N+](=O)[O-])n2)cc1F ZINC000248072659 455677656 /nfs/dbraw/zinc/67/76/56/455677656.db2.gz ANCDAANOSKOABV-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000277863309 455689626 /nfs/dbraw/zinc/68/96/26/455689626.db2.gz ODPZWCQBZGMISJ-ONGXEEELSA-N 0 0 331.376 3.026 10 5 EGBERN C[C@H]1C[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192868540 455708195 /nfs/dbraw/zinc/70/81/95/455708195.db2.gz BWTZXKJROHOIPJ-BLLLJJGKSA-N 0 0 326.352 3.312 10 5 EGBERN O=C(NC[C@H]1CCCOC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277933586 455713367 /nfs/dbraw/zinc/71/33/67/455713367.db2.gz RAKMGTIIBLZGSN-CYBMUJFWSA-N 0 0 336.391 3.250 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC(=O)OC(C)(C)C ZINC000277937426 455714142 /nfs/dbraw/zinc/71/41/42/455714142.db2.gz IMUSJCAOTUEZGM-UHFFFAOYSA-N 0 0 342.779 3.018 10 5 EGBERN CC[C@H](C)[C@H](O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277999051 455730703 /nfs/dbraw/zinc/73/07/03/455730703.db2.gz HLYDADKSBSNHJV-YVEFUNNKSA-N 0 0 338.407 3.230 10 5 EGBERN CCc1ccc(Oc2ncnc3c2ncn3C2CC2)c([N+](=O)[O-])c1 ZINC000292717720 455738972 /nfs/dbraw/zinc/73/89/72/455738972.db2.gz LIJLQBMFTVZWQT-UHFFFAOYSA-N 0 0 325.328 3.424 10 5 EGBERN COC[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000278269855 455801799 /nfs/dbraw/zinc/80/17/99/455801799.db2.gz AOVQJODXDXJYKW-KRWDZBQOSA-N 0 0 336.391 3.248 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc2ccccn21 ZINC000252517740 455819598 /nfs/dbraw/zinc/81/95/98/455819598.db2.gz QFLIUARBPDFKFC-HZSPNIEDSA-N 0 0 342.399 3.374 10 5 EGBERN Cc1csc([C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000255427374 455867381 /nfs/dbraw/zinc/86/73/81/455867381.db2.gz TZTCOQZXFUPUOZ-LEXSJLIMSA-N 0 0 345.424 3.446 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@]2(CCOC2)C1 ZINC000187172817 455876277 /nfs/dbraw/zinc/87/62/77/455876277.db2.gz WXIVFMJTKKQEAH-OAQYLSRUSA-N 0 0 348.402 3.020 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296246210 455890709 /nfs/dbraw/zinc/89/07/09/455890709.db2.gz OQHXMOCZWNZJBA-DGCLKSJQSA-N 0 0 344.358 3.027 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000272308310 455909559 /nfs/dbraw/zinc/90/95/59/455909559.db2.gz YTFJAASELUKBPF-TZMCWYRMSA-N 0 0 340.807 3.117 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000601078942 460701015 /nfs/dbraw/zinc/70/10/15/460701015.db2.gz SGQMPSJGEYBTGH-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1cnn(Cc2nc(C3CCC3)no2)c1 ZINC000601084972 460704040 /nfs/dbraw/zinc/70/40/40/460704040.db2.gz JQOLOGBEYQJCNA-UHFFFAOYSA-N 0 0 325.328 3.157 10 5 EGBERN Nc1ccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000286330774 456025881 /nfs/dbraw/zinc/02/58/81/456025881.db2.gz JTUBQTXCLNTFAZ-INIZCTEOSA-N 0 0 333.775 3.408 10 5 EGBERN COc1ccc(OC2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000601105905 460711697 /nfs/dbraw/zinc/71/16/97/460711697.db2.gz QCXXCRGCKDPJTC-UHFFFAOYSA-N 0 0 347.346 3.185 10 5 EGBERN CC(C)(C)OC(=O)Nc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1 ZINC000224066374 456063656 /nfs/dbraw/zinc/06/36/56/456063656.db2.gz BEJCGNRKYODZNC-UHFFFAOYSA-N 0 0 331.332 3.475 10 5 EGBERN Cc1sc(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000271018590 456099587 /nfs/dbraw/zinc/09/95/87/456099587.db2.gz KBSYPSWLKAWSHY-UHFFFAOYSA-N 0 0 346.364 3.459 10 5 EGBERN O=[N+]([O-])c1ccc(N(C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301365701 456100612 /nfs/dbraw/zinc/10/06/12/456100612.db2.gz QEOFVNNGOTZWRW-CQSZACIVSA-N 0 0 335.360 3.431 10 5 EGBERN Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000301438474 456116704 /nfs/dbraw/zinc/11/67/04/456116704.db2.gz SSNHTAKYICVASX-NSHDSACASA-N 0 0 335.795 3.063 10 5 EGBERN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C)c1O ZINC000188724416 456121439 /nfs/dbraw/zinc/12/14/39/456121439.db2.gz UEIJVYOZSHTTGL-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN O=C(c1cn2ccnc2s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188743900 456127334 /nfs/dbraw/zinc/12/73/34/456127334.db2.gz JUDPJECNCRKLTB-UHFFFAOYSA-N 0 0 342.380 3.109 10 5 EGBERN CN(c1ccccc1)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116075 460716275 /nfs/dbraw/zinc/71/62/75/460716275.db2.gz NOGUDVWJAGPQKB-UHFFFAOYSA-N 0 0 330.363 3.234 10 5 EGBERN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000301591868 456156249 /nfs/dbraw/zinc/15/62/49/456156249.db2.gz YFZMFEKAABWTSR-QMMMGPOBSA-N 0 0 336.360 3.438 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000289992982 456208682 /nfs/dbraw/zinc/20/86/82/456208682.db2.gz YMVQVVPYDGBLHI-KRWDZBQOSA-N 0 0 345.351 3.077 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000263777042 456220318 /nfs/dbraw/zinc/22/03/18/456220318.db2.gz UPEMAGQSAKTXKO-UHFFFAOYSA-N 0 0 345.424 3.211 10 5 EGBERN CCS[C@H]1CCC[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126012 460721555 /nfs/dbraw/zinc/72/15/55/460721555.db2.gz TYFGUSFHWXFSPV-SFYZADRCSA-N 0 0 338.355 3.433 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1c(F)cccc1OC(F)F ZINC000302025170 456270887 /nfs/dbraw/zinc/27/08/87/456270887.db2.gz HLXZHGRLGOGERJ-UHFFFAOYSA-N 0 0 342.273 3.440 10 5 EGBERN COC1(CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000302024028 456271016 /nfs/dbraw/zinc/27/10/16/456271016.db2.gz JSFOYXNXDDWYKJ-UHFFFAOYSA-N 0 0 328.372 3.341 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000275782773 456311588 /nfs/dbraw/zinc/31/15/88/456311588.db2.gz JRDAPECBKCAYIZ-TZMCWYRMSA-N 0 0 338.791 3.244 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCCCO1 ZINC000275793535 456314577 /nfs/dbraw/zinc/31/45/77/456314577.db2.gz LIXVMHVCSHSVBI-LBPRGKRZSA-N 0 0 326.780 3.246 10 5 EGBERN CC(=O)c1ccc(Nc2ccc(OCCO)c(C)c2)c([N+](=O)[O-])c1 ZINC000302204151 456316418 /nfs/dbraw/zinc/31/64/18/456316418.db2.gz WHSZGZUUDRPWCY-UHFFFAOYSA-N 0 0 330.340 3.221 10 5 EGBERN COCCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000275806677 456320150 /nfs/dbraw/zinc/32/01/50/456320150.db2.gz LQCPZORIGMGOIE-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN NC(=O)c1cnc(Oc2ccc([N+](=O)[O-])c3ncccc23)c(Cl)c1 ZINC000302232063 456324912 /nfs/dbraw/zinc/32/49/12/456324912.db2.gz CKTXOWYRHHKXPH-UHFFFAOYSA-N 0 0 344.714 3.083 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccn(C2CCSCC2)n1 ZINC000601139256 460728349 /nfs/dbraw/zinc/72/83/49/460728349.db2.gz CIVXUAFTPHTMPS-UHFFFAOYSA-N 0 0 332.429 3.202 10 5 EGBERN C[C@@H](NC(=O)c1coc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000340303026 456373457 /nfs/dbraw/zinc/37/34/57/456373457.db2.gz UYVWZLZHVLEELL-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN C[C@H](NC(=O)c1coc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000340303029 456374061 /nfs/dbraw/zinc/37/40/61/456374061.db2.gz UYVWZLZHVLEELL-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccc(F)cc1 ZINC000302681980 456373971 /nfs/dbraw/zinc/37/39/71/456373971.db2.gz ACQYWDPRRCSBAK-INIZCTEOSA-N 0 0 347.321 3.086 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000302698903 456377705 /nfs/dbraw/zinc/37/77/05/456377705.db2.gz UJDMPLZMFQQAJF-UHFFFAOYSA-N 0 0 345.311 3.210 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])no1 ZINC000290646617 456393900 /nfs/dbraw/zinc/39/39/00/456393900.db2.gz IKXCUVAQYYUFBS-SNVBAGLBSA-N 0 0 343.343 3.236 10 5 EGBERN O=C1CCCN1c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302790859 456402903 /nfs/dbraw/zinc/40/29/03/456402903.db2.gz AGTIPPOGJLYVDJ-UHFFFAOYSA-N 0 0 329.331 3.473 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343266922 456496100 /nfs/dbraw/zinc/49/61/00/456496100.db2.gz MMQXNWJCRPPOEZ-NVXWUHKLSA-N 0 0 332.400 3.291 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(F)F)c2Cl)n1 ZINC000348139096 456509700 /nfs/dbraw/zinc/50/97/00/456509700.db2.gz WBDPUOFKGZUWOD-UHFFFAOYSA-N 0 0 330.678 3.172 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000276538730 456509986 /nfs/dbraw/zinc/50/99/86/456509986.db2.gz FUHSSLRRQPVWDD-BBRMVZONSA-N 0 0 340.807 3.228 10 5 EGBERN Cn1c(C(=O)NCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000340652494 456601473 /nfs/dbraw/zinc/60/14/73/456601473.db2.gz VNZMYPWDFDWMGC-UHFFFAOYSA-N 0 0 328.155 3.170 10 5 EGBERN Cc1nc2c(cccc2-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)[nH]1 ZINC000340679097 456617940 /nfs/dbraw/zinc/61/79/40/456617940.db2.gz GQDVEFGSZAGPJU-UHFFFAOYSA-N 0 0 336.311 3.200 10 5 EGBERN CCn1c(C)cc(C(=O)COc2cc(OC)ccc2[N+](=O)[O-])c1C ZINC000325858341 456688462 /nfs/dbraw/zinc/68/84/62/456688462.db2.gz CTWFGUVAGWJKJQ-UHFFFAOYSA-N 0 0 332.356 3.303 10 5 EGBERN C[C@H](CC(=O)N1CCCc2c([N+](=O)[O-])cccc21)c1cccnc1 ZINC000338228093 456718011 /nfs/dbraw/zinc/71/80/11/456718011.db2.gz RGCIUEZKWMZRKO-CYBMUJFWSA-N 0 0 325.368 3.463 10 5 EGBERN O=C(NCCOC1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000299539491 456722910 /nfs/dbraw/zinc/72/29/10/456722910.db2.gz OFFHXOPWLDZSCH-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN CC[C@H](NC(=O)N1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353534212 456739803 /nfs/dbraw/zinc/73/98/03/456739803.db2.gz GWGYGSKFBCDLGV-JKSUJKDBSA-N 0 0 335.404 3.112 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)n1 ZINC000343630061 456758349 /nfs/dbraw/zinc/75/83/49/456758349.db2.gz PBLZPYFOMHLQAI-GXTWGEPZSA-N 0 0 328.372 3.035 10 5 EGBERN COc1ccc(CNC(=O)C(C)(C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000299663345 456758479 /nfs/dbraw/zinc/75/84/79/456758479.db2.gz QVGJAXIWMNFLKP-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN Cc1sc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000353567850 456768057 /nfs/dbraw/zinc/76/80/57/456768057.db2.gz SZKFUGAVROMGHI-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN COC(=O)c1cc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc(C)c1[N+](=O)[O-] ZINC000291945357 456806610 /nfs/dbraw/zinc/80/66/10/456806610.db2.gz NDRIGLZNJIQRIH-DOMZBBRYSA-N 0 0 340.326 3.171 10 5 EGBERN O=C(NC1CCSCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348733810 456833456 /nfs/dbraw/zinc/83/34/56/456833456.db2.gz FLEVUMHHGCZNII-UHFFFAOYSA-N 0 0 334.319 3.239 10 5 EGBERN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341289788 456835650 /nfs/dbraw/zinc/83/56/50/456835650.db2.gz MTCHVBBJECRFEV-NWDGAFQWSA-N 0 0 332.331 3.379 10 5 EGBERN CSc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000348808118 456865132 /nfs/dbraw/zinc/86/51/32/456865132.db2.gz HRXNYQIWKISVET-UHFFFAOYSA-N 0 0 331.397 3.292 10 5 EGBERN Cc1sc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353771629 456899618 /nfs/dbraw/zinc/89/96/18/456899618.db2.gz ANDVGGUPLUSTFB-BBBLOLIVSA-N 0 0 332.447 3.020 10 5 EGBERN COc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(C)=O)c2)cc(OC)c1 ZINC000341827359 456961398 /nfs/dbraw/zinc/96/13/98/456961398.db2.gz VAYCJPORGBUJCT-UHFFFAOYSA-N 0 0 344.367 3.451 10 5 EGBERN COc1cccc2c1[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000349676208 457013265 /nfs/dbraw/zinc/01/32/65/457013265.db2.gz CUZJZMRYFZKLDK-OAHLLOKOSA-N 0 0 340.379 3.258 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1coc2cc(F)ccc12 ZINC000356539303 457044609 /nfs/dbraw/zinc/04/46/09/457044609.db2.gz YYLVFCVYFHIEJO-UHFFFAOYSA-N 0 0 340.270 3.031 10 5 EGBERN CO[C@](C)(c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000354102560 457063063 /nfs/dbraw/zinc/06/30/63/457063063.db2.gz HTTWNXCXWQCRBJ-KRWDZBQOSA-N 0 0 344.371 3.491 10 5 EGBERN CC1(C)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330783065 457085860 /nfs/dbraw/zinc/08/58/60/457085860.db2.gz HSKYPCGNMRTFMZ-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000356725133 457136307 /nfs/dbraw/zinc/13/63/07/457136307.db2.gz IROMMYNYVJXRRO-JTQLQIEISA-N 0 0 334.401 3.311 10 5 EGBERN C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000331138329 457137803 /nfs/dbraw/zinc/13/78/03/457137803.db2.gz WJEZWXWDCFVRGC-JTQLQIEISA-N 0 0 326.343 3.310 10 5 EGBERN Cc1csc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Cl ZINC000359933912 457156537 /nfs/dbraw/zinc/15/65/37/457156537.db2.gz KTCALVGNCGLCSN-UHFFFAOYSA-N 0 0 337.788 3.212 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H](C)Oc2ccccc2)no1 ZINC000356938103 457232074 /nfs/dbraw/zinc/23/20/74/457232074.db2.gz OSXGTCOMOCGKDP-NSHDSACASA-N 0 0 326.312 3.488 10 5 EGBERN Cc1cc(N[C@H](c2nc[nH]n2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000360066325 457236176 /nfs/dbraw/zinc/23/61/76/457236176.db2.gz OTYSSXAOLHVPNW-HNNXBMFYSA-N 0 0 327.319 3.362 10 5 EGBERN COC[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339731826 457237542 /nfs/dbraw/zinc/23/75/42/457237542.db2.gz WKNBWXHTWJWZMH-AWEZNQCLSA-N 0 0 346.408 3.191 10 5 EGBERN O=[N+]([O-])c1cc(CN2Cc3cnn(-c4ccccc4)c3C2)cs1 ZINC000339805945 457279788 /nfs/dbraw/zinc/27/97/88/457279788.db2.gz TYIOBWZGRJZRGB-UHFFFAOYSA-N 0 0 326.381 3.358 10 5 EGBERN Cc1c(Br)c(=O)n(CCc2ccccc2)cc1[N+](=O)[O-] ZINC000342438425 457304691 /nfs/dbraw/zinc/30/46/91/457304691.db2.gz WZKQYDZAISJARA-UHFFFAOYSA-N 0 0 337.173 3.070 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000357086998 457315713 /nfs/dbraw/zinc/31/57/13/457315713.db2.gz VHZPXQDPWSVCNS-UHFFFAOYSA-N 0 0 337.339 3.289 10 5 EGBERN Cc1nscc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347287054 457331286 /nfs/dbraw/zinc/33/12/86/457331286.db2.gz HTQSSJKBOLGTCT-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000340098642 457332510 /nfs/dbraw/zinc/33/25/10/457332510.db2.gz NMFKPLNQOUQODO-SNVBAGLBSA-N 0 0 330.369 3.414 10 5 EGBERN COCc1noc([C@H](C)SCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000342560510 457366820 /nfs/dbraw/zinc/36/68/20/457366820.db2.gz RYKQUDGEVYFNJR-VIFPVBQESA-N 0 0 339.373 3.127 10 5 EGBERN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000373892615 457388940 /nfs/dbraw/zinc/38/89/40/457388940.db2.gz UPLCAELFTNJIOU-AULYBMBSSA-N 0 0 331.759 3.319 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000424962541 457389189 /nfs/dbraw/zinc/38/91/89/457389189.db2.gz DFFQUFGPFLXPFE-SJLPKXTDSA-N 0 0 344.342 3.361 10 5 EGBERN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc2ccccc2c2cccnc12 ZINC000378312242 457390038 /nfs/dbraw/zinc/39/00/38/457390038.db2.gz QZSTXZFDEQIJTQ-CQSZACIVSA-N 0 0 342.402 3.398 10 5 EGBERN CC(=O)Nc1ccc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000355713539 457405792 /nfs/dbraw/zinc/40/57/92/457405792.db2.gz JLEOPPUXMPQCCR-UHFFFAOYSA-N 0 0 342.286 3.409 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000360883569 457406524 /nfs/dbraw/zinc/40/65/24/457406524.db2.gz DNGRWLIBFFLTLS-CYBMUJFWSA-N 0 0 342.399 3.413 10 5 EGBERN C[C@@H](C(=O)Nc1cn(C)nc1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000360894575 457415546 /nfs/dbraw/zinc/41/55/46/457415546.db2.gz UXVOVAOCLIINMV-SECBINFHSA-N 0 0 332.335 3.087 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NCCCCOCc3ccccc3)[nH]c2c1 ZINC000390708684 457440041 /nfs/dbraw/zinc/44/00/41/457440041.db2.gz IHPVQJXPSTUQGY-UHFFFAOYSA-N 0 0 340.383 3.302 10 5 EGBERN COCCN(Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352546671 457456057 /nfs/dbraw/zinc/45/60/57/457456057.db2.gz YQZNBBIFRBLCOZ-UHFFFAOYSA-N 0 0 334.372 3.153 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC12CCC2 ZINC000357370006 457477153 /nfs/dbraw/zinc/47/71/53/457477153.db2.gz GUVVDELXBDTTOH-UHFFFAOYSA-N 0 0 329.381 3.487 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000360987233 457492047 /nfs/dbraw/zinc/49/20/47/457492047.db2.gz YMKLRYYVYUJVDW-HFAKWTLXSA-N 0 0 330.388 3.485 10 5 EGBERN CS[C@H]1CCCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342745085 457494723 /nfs/dbraw/zinc/49/47/23/457494723.db2.gz UKPOWRHTUPRIFG-NSHDSACASA-N 0 0 344.383 3.160 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000374166993 457505068 /nfs/dbraw/zinc/50/50/68/457505068.db2.gz YHRMMUKKXFKATB-JOCQHMNTSA-N 0 0 342.399 3.255 10 5 EGBERN CCc1ccc([C@@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000347616271 457551040 /nfs/dbraw/zinc/55/10/40/457551040.db2.gz LVOZLJYWKQPQIH-CQSZACIVSA-N 0 0 334.372 3.236 10 5 EGBERN C[C@H]1C[C@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCO1 ZINC000357488976 457561099 /nfs/dbraw/zinc/56/10/99/457561099.db2.gz SQEZJYUJHMBHHA-WDEREUQCSA-N 0 0 342.355 3.332 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000352735227 457569115 /nfs/dbraw/zinc/56/91/15/457569115.db2.gz OCFBGZPLRDBJBF-UHFFFAOYSA-N 0 0 344.458 3.166 10 5 EGBERN COc1cc(CN2c3ccccc3CC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000425498060 457577285 /nfs/dbraw/zinc/57/72/85/457577285.db2.gz ZSFIEQGBAXQSNK-INIZCTEOSA-N 0 0 342.395 3.307 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)c2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000352754095 457583538 /nfs/dbraw/zinc/58/35/38/457583538.db2.gz ROMROCXXOYZIDW-UHFFFAOYSA-N 0 0 343.383 3.362 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356439469 457625778 /nfs/dbraw/zinc/62/57/78/457625778.db2.gz VZYALYHIYOUTED-GFCCVEGCSA-N 0 0 340.788 3.082 10 5 EGBERN Cc1nc(-c2ccccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])cs1 ZINC000357654096 457642576 /nfs/dbraw/zinc/64/25/76/457642576.db2.gz ZCQPKLRZVKLYMD-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374501062 457642821 /nfs/dbraw/zinc/64/28/21/457642821.db2.gz DJDWSQZANHXRNF-GOSISDBHSA-N 0 0 328.343 3.235 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)CCc2ccc(C)o2)cccc1[N+](=O)[O-] ZINC000361214227 457648341 /nfs/dbraw/zinc/64/83/41/457648341.db2.gz UWRTWMGTXIWZJX-NSHDSACASA-N 0 0 331.372 3.289 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1cn2ccc(C)cc2n1 ZINC000357682171 457653549 /nfs/dbraw/zinc/65/35/49/457653549.db2.gz CJCNEARACFIRPZ-UHFFFAOYSA-N 0 0 326.356 3.309 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000370539897 457669328 /nfs/dbraw/zinc/66/93/28/457669328.db2.gz VWAYPFKCJMGKFU-UHFFFAOYSA-N 0 0 327.340 3.242 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCCc4sccc43)n2)nc1 ZINC000364707369 457676665 /nfs/dbraw/zinc/67/66/65/457676665.db2.gz DATQENKBFJZVHN-CYBMUJFWSA-N 0 0 342.380 3.493 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000357777381 457685916 /nfs/dbraw/zinc/68/59/16/457685916.db2.gz ILPMALFSDUESJI-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2C)cc1OC ZINC000357804464 457696212 /nfs/dbraw/zinc/69/62/12/457696212.db2.gz JGZGBTNYIHYNJJ-LBPRGKRZSA-N 0 0 336.388 3.407 10 5 EGBERN C[C@H](NC(=O)NCc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000357813965 457699837 /nfs/dbraw/zinc/69/98/37/457699837.db2.gz JCUFOQNWJMPYIM-NSHDSACASA-N 0 0 339.355 3.032 10 5 EGBERN Cc1ccncc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361415168 457724566 /nfs/dbraw/zinc/72/45/66/457724566.db2.gz YJTCNLWIJAOYPW-UHFFFAOYSA-N 0 0 348.790 3.022 10 5 EGBERN CC(C)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000357907044 457729907 /nfs/dbraw/zinc/72/99/07/457729907.db2.gz GZGRLCIHTIJVKV-ZDUSSCGKSA-N 0 0 336.779 3.109 10 5 EGBERN CCC(C)(C)OCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410707669 457746841 /nfs/dbraw/zinc/74/68/41/457746841.db2.gz ZOXPRBVPEQBSIR-UHFFFAOYSA-N 0 0 331.372 3.017 10 5 EGBERN C[C@H]1CN(Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000443517578 457775935 /nfs/dbraw/zinc/77/59/35/457775935.db2.gz ISZUAKRELDLQBT-RYUDHWBXSA-N 0 0 348.428 3.404 10 5 EGBERN COc1cc(C(=O)NC23CCC(CC2)CC3)c([N+](=O)[O-])cc1OC ZINC000411045443 457785158 /nfs/dbraw/zinc/78/51/58/457785158.db2.gz JOXCKZKERQOYBR-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000358129980 457803914 /nfs/dbraw/zinc/80/39/14/457803914.db2.gz VFMBCKPTVHVREN-OCCSQVGLSA-N 0 0 346.362 3.016 10 5 EGBERN COc1cccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000411110243 457804394 /nfs/dbraw/zinc/80/43/94/457804394.db2.gz HONMVZRBOPXLMX-LBPRGKRZSA-N 0 0 346.358 3.446 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443682488 457804884 /nfs/dbraw/zinc/80/48/84/457804884.db2.gz MMFLWGAOGZZCSH-AWEZNQCLSA-N 0 0 348.424 3.426 10 5 EGBERN NC(=O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000371148717 457808024 /nfs/dbraw/zinc/80/80/24/457808024.db2.gz ZOJAKPLUPIRFHK-AWEZNQCLSA-N 0 0 345.786 3.227 10 5 EGBERN C[C@H](Sc1cccnn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000358263232 457896207 /nfs/dbraw/zinc/89/62/07/457896207.db2.gz LXFMVVURHLMJCH-VIFPVBQESA-N 0 0 329.341 3.288 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411581584 457923654 /nfs/dbraw/zinc/92/36/54/457923654.db2.gz JAJKSSCUFKAKBW-AEFFLSMTSA-N 0 0 328.343 3.138 10 5 EGBERN O=C(NC1CCC(C(F)F)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000458144673 457944744 /nfs/dbraw/zinc/94/47/44/457944744.db2.gz MEFYIEIXKQUOKO-UHFFFAOYSA-N 0 0 338.314 3.025 10 5 EGBERN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c(C)c1OC ZINC000358382106 457967331 /nfs/dbraw/zinc/96/73/31/457967331.db2.gz OYNUCSVOGMACLK-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN Cc1cc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)ccn1 ZINC000361948726 457973749 /nfs/dbraw/zinc/97/37/49/457973749.db2.gz VMCYUHJMFBQFLF-UHFFFAOYSA-N 0 0 337.282 3.176 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCc1nccs1)C(C)C ZINC000427384074 457980133 /nfs/dbraw/zinc/98/01/33/457980133.db2.gz VRYWTRRSJTXIEQ-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361987743 457993077 /nfs/dbraw/zinc/99/30/77/457993077.db2.gz CICLVIJDGZWXOT-SNVBAGLBSA-N 0 0 348.378 3.485 10 5 EGBERN CCc1cc(NC(=O)C2(CCF)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362045360 458023492 /nfs/dbraw/zinc/02/34/92/458023492.db2.gz NCIHNNRPPWVKPV-UHFFFAOYSA-N 0 0 331.347 3.206 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2ccccc2)O1 ZINC000427985898 458062468 /nfs/dbraw/zinc/06/24/68/458062468.db2.gz UGRQGHTVHRFYFO-SJCJKPOMSA-N 0 0 338.367 3.438 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCC[C@H]1COc2ccccc2O1 ZINC000434945856 458068809 /nfs/dbraw/zinc/06/88/09/458068809.db2.gz GFXKMTLQOYKNHC-NSHDSACASA-N 0 0 335.747 3.285 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458498660 458071778 /nfs/dbraw/zinc/07/17/78/458071778.db2.gz JKOZFVVWJCXNPJ-GJZGRUSLSA-N 0 0 349.431 3.422 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000428216339 458098355 /nfs/dbraw/zinc/09/83/55/458098355.db2.gz FJHSULGAFCUOMX-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN CCOc1cc(COc2ccccc2-c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000428285181 458112459 /nfs/dbraw/zinc/11/24/59/458112459.db2.gz HTSRZTLERLWLBG-UHFFFAOYSA-N 0 0 340.339 3.358 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccnc2)on1 ZINC000362346378 458118457 /nfs/dbraw/zinc/11/84/57/458118457.db2.gz VMURNOSUXUJFSW-UHFFFAOYSA-N 0 0 338.323 3.460 10 5 EGBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000445978173 458123888 /nfs/dbraw/zinc/12/38/88/458123888.db2.gz SEPMDMOBIKKAJT-ILXRZTDVSA-N 0 0 349.431 3.125 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-n1cccn1 ZINC000371936268 458128075 /nfs/dbraw/zinc/12/80/75/458128075.db2.gz HCKLDYHZGPDWSM-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000446104771 458149063 /nfs/dbraw/zinc/14/90/63/458149063.db2.gz WDBXORLLJQLNBH-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412273266 458150880 /nfs/dbraw/zinc/15/08/80/458150880.db2.gz GLFALMJSOZATSZ-XQQFMLRXSA-N 0 0 336.388 3.020 10 5 EGBERN C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000412288357 458155321 /nfs/dbraw/zinc/15/53/21/458155321.db2.gz JPHGUAQUVBHUDQ-SCTDSRPQSA-N 0 0 346.427 3.146 10 5 EGBERN Cc1sc(C(=O)NCC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000375998714 458156178 /nfs/dbraw/zinc/15/61/78/458156178.db2.gz YSRTVAFHWWVHFS-UHFFFAOYSA-N 0 0 331.397 3.211 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000412298361 458158104 /nfs/dbraw/zinc/15/81/04/458158104.db2.gz YIKKHCKOATZKCW-LEWSCRJBSA-N 0 0 342.317 3.499 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000358709422 458162368 /nfs/dbraw/zinc/16/23/68/458162368.db2.gz ZZSNOPIMAHPLBN-JKSUJKDBSA-N 0 0 326.352 3.023 10 5 EGBERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000412496353 458219927 /nfs/dbraw/zinc/21/99/27/458219927.db2.gz KXRLWYUVRNTKGI-DOMZBBRYSA-N 0 0 332.381 3.007 10 5 EGBERN Cn1c(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000412682592 458269372 /nfs/dbraw/zinc/26/93/72/458269372.db2.gz WGTGAVNUVUKGLM-OAHLLOKOSA-N 0 0 339.395 3.343 10 5 EGBERN CC(=O)c1ccc(N2CC(O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000372320723 458276247 /nfs/dbraw/zinc/27/62/47/458276247.db2.gz NQUHOJWKMLJBEU-UHFFFAOYSA-N 0 0 346.770 3.159 10 5 EGBERN Cn1cc([C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000447376136 458287757 /nfs/dbraw/zinc/28/77/57/458287757.db2.gz VCPASONGACBJIC-LBPRGKRZSA-N 0 0 348.712 3.375 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000447681950 458329168 /nfs/dbraw/zinc/32/91/68/458329168.db2.gz UDBNXFQWELAZHL-SFHVURJKSA-N 0 0 336.351 3.107 10 5 EGBERN COc1ccc(C)cc1[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447690354 458329751 /nfs/dbraw/zinc/32/97/51/458329751.db2.gz WZYYUFOZFMILGF-NSHDSACASA-N 0 0 326.356 3.383 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCC4(CCCCC4)O3)[nH]c2c1 ZINC000447694974 458330988 /nfs/dbraw/zinc/33/09/88/458330988.db2.gz UQQQRIUGPIKCLT-CYBMUJFWSA-N 0 0 330.388 3.187 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000447753201 458337827 /nfs/dbraw/zinc/33/78/27/458337827.db2.gz JMRUYRCRZDMITA-UHFFFAOYSA-N 0 0 341.701 3.039 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC12CCCC2 ZINC000430246937 458427817 /nfs/dbraw/zinc/42/78/17/458427817.db2.gz GABBNUHEUQMILC-YGRLFVJLSA-N 0 0 338.791 3.464 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000459677812 458444914 /nfs/dbraw/zinc/44/49/14/458444914.db2.gz AUUAWGSRAPJWBG-HIFRSBDPSA-N 0 0 334.397 3.019 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000430786056 458491859 /nfs/dbraw/zinc/49/18/59/458491859.db2.gz NGZPCGYUFPZSTL-FZKQIMNGSA-N 0 0 332.400 3.321 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460233662 458507204 /nfs/dbraw/zinc/50/72/04/458507204.db2.gz VQRPIXJRHYGOFE-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN CC[C@H]1[C@H](C)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460315795 458510168 /nfs/dbraw/zinc/51/01/68/458510168.db2.gz YPWGGEUQIVRMCD-DOMZBBRYSA-N 0 0 329.404 3.498 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000373668903 458569215 /nfs/dbraw/zinc/56/92/15/458569215.db2.gz XTSFTZDQJXVIDD-ZWKOTPCHSA-N 0 0 348.362 3.066 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000377918519 458571970 /nfs/dbraw/zinc/57/19/70/458571970.db2.gz RMPADXVWZSEQAO-GDBMZVCRSA-N 0 0 339.395 3.392 10 5 EGBERN Cc1ccc([C@H](C)N(C)c2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000502419074 458649851 /nfs/dbraw/zinc/64/98/51/458649851.db2.gz ICASJVMBSLYNIL-ZDUSSCGKSA-N 0 0 325.372 3.452 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)cc1OC(F)F ZINC000439096197 458653388 /nfs/dbraw/zinc/65/33/88/458653388.db2.gz VWULYIPSZXQTNI-RYUDHWBXSA-N 0 0 342.342 3.449 10 5 EGBERN Cc1ccc(CCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000470904373 458660147 /nfs/dbraw/zinc/66/01/47/458660147.db2.gz VASILBREADSHLQ-UHFFFAOYSA-N 0 0 340.379 3.126 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439280909 458683130 /nfs/dbraw/zinc/68/31/30/458683130.db2.gz SXLRTUGZECBYSS-RYUDHWBXSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456570224 458717535 /nfs/dbraw/zinc/71/75/35/458717535.db2.gz BLSQPLQERMFXKY-QGZVFWFLSA-N 0 0 326.352 3.484 10 5 EGBERN Cc1ccc(C(=O)NCCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000503693473 458721227 /nfs/dbraw/zinc/72/12/27/458721227.db2.gz BCUCSFUXSCOKAO-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000456603809 458728137 /nfs/dbraw/zinc/72/81/37/458728137.db2.gz XAPRAUJFNXBHNX-INIZCTEOSA-N 0 0 325.368 3.296 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000456793424 458782973 /nfs/dbraw/zinc/78/29/73/458782973.db2.gz BDGGFEBCULWNOU-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cc(F)c(Cl)cc3F)nc2c1 ZINC000432925410 458814388 /nfs/dbraw/zinc/81/43/88/458814388.db2.gz RQVJVLXLMPCDPO-UHFFFAOYSA-N 0 0 338.701 3.437 10 5 EGBERN CCCN(C(=O)c1cnn(C)c1SC)c1cccc([N+](=O)[O-])c1 ZINC000441447005 458945695 /nfs/dbraw/zinc/94/56/95/458945695.db2.gz LUXHUMPFPUMHGA-UHFFFAOYSA-N 0 0 334.401 3.107 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000556483767 458965228 /nfs/dbraw/zinc/96/52/28/458965228.db2.gz ZEHASTGOYHPNCE-CYBMUJFWSA-N 0 0 336.388 3.026 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCCO2 ZINC000467980805 458994271 /nfs/dbraw/zinc/99/42/71/458994271.db2.gz DMAXDRSDZFFWAR-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888081 458995237 /nfs/dbraw/zinc/99/52/37/458995237.db2.gz QPJKSQLBWATWKU-UHFFFAOYSA-N 0 0 349.368 3.043 10 5 EGBERN CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476640233 459011366 /nfs/dbraw/zinc/01/13/66/459011366.db2.gz ZAWASHDDENLJQD-NOZJJQNGSA-N 0 0 346.836 3.366 10 5 EGBERN CO[C@@]1(C)C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000477345516 459041205 /nfs/dbraw/zinc/04/12/05/459041205.db2.gz AJMURJMFHLCHMF-WBMJQRKESA-N 0 0 340.807 3.490 10 5 EGBERN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594489302 459057318 /nfs/dbraw/zinc/05/73/18/459057318.db2.gz YHNKFTVKAHFRDW-SNVBAGLBSA-N 0 0 348.371 3.087 10 5 EGBERN Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532391702 459078719 /nfs/dbraw/zinc/07/87/19/459078719.db2.gz COKFBMZGACOOBO-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594525180 459079853 /nfs/dbraw/zinc/07/98/53/459079853.db2.gz OUFPYVOXQFZRCK-GXTWGEPZSA-N 0 0 325.340 3.203 10 5 EGBERN CCCCN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC000532398099 459080241 /nfs/dbraw/zinc/08/02/41/459080241.db2.gz NINQLNPPYUFVDW-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594537935 459083169 /nfs/dbraw/zinc/08/31/69/459083169.db2.gz OIIKXWAYAZDGGM-HOMQSWHASA-N 0 0 325.340 3.202 10 5 EGBERN C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594539592 459083830 /nfs/dbraw/zinc/08/38/30/459083830.db2.gz DYFPGWDROOBPQE-PFVUOHFESA-N 0 0 332.400 3.333 10 5 EGBERN Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000577796177 459094935 /nfs/dbraw/zinc/09/49/35/459094935.db2.gz KLNDONXJYCFFIK-UHFFFAOYSA-N 0 0 343.383 3.463 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590403117 459125158 /nfs/dbraw/zinc/12/51/58/459125158.db2.gz XQYFZQBYBJEEMN-ZDUSSCGKSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1cccc(C(=O)N2CC(F)(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000590444607 459131636 /nfs/dbraw/zinc/13/16/36/459131636.db2.gz QCBGCXQKTLFWAO-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN CC(C)CCN(CCC(C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594745427 459149855 /nfs/dbraw/zinc/14/98/55/459149855.db2.gz ZATUNEKLVYQJCX-UHFFFAOYSA-N 0 0 343.449 3.073 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000590575316 459152615 /nfs/dbraw/zinc/15/26/15/459152615.db2.gz KQNDTEAAZTVCSF-UHFFFAOYSA-N 0 0 349.774 3.109 10 5 EGBERN C[C@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000558427519 459157466 /nfs/dbraw/zinc/15/74/66/459157466.db2.gz SWKAXELPDZVEHD-UWVGGRQHSA-N 0 0 346.305 3.159 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000558427520 459158092 /nfs/dbraw/zinc/15/80/92/459158092.db2.gz SWKAXELPDZVEHD-VHSXEESVSA-N 0 0 346.305 3.159 10 5 EGBERN Nc1cc(N[C@H]2CCCc3c(F)cc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000590704320 459189395 /nfs/dbraw/zinc/18/93/95/459189395.db2.gz RPMZBXQVDJLPJM-INIZCTEOSA-N 0 0 349.337 3.437 10 5 EGBERN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000522343783 459239146 /nfs/dbraw/zinc/23/91/46/459239146.db2.gz IYDUHQVKYWEXHG-LBPRGKRZSA-N 0 0 328.372 3.255 10 5 EGBERN Cc1ccc(C(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590883910 459258180 /nfs/dbraw/zinc/25/81/80/459258180.db2.gz IUMMPTKUBYJQAQ-UHFFFAOYSA-N 0 0 328.315 3.183 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000591068312 459304169 /nfs/dbraw/zinc/30/41/69/459304169.db2.gz APJJKVLFMUMCEH-UHFFFAOYSA-N 0 0 346.305 3.406 10 5 EGBERN CC(C)(C(=O)NCCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000482415903 459307166 /nfs/dbraw/zinc/30/71/66/459307166.db2.gz QITAOKCTJNGRJA-YOEHRIQHSA-N 0 0 348.443 3.320 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595465795 459312097 /nfs/dbraw/zinc/31/20/97/459312097.db2.gz IGAOIMQNXRGQTH-MRXNPFEDSA-N 0 0 339.395 3.466 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CCC2)C1 ZINC000595464312 459312104 /nfs/dbraw/zinc/31/21/04/459312104.db2.gz IRZRCENMFZBNIX-INIZCTEOSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]1C(F)(F)F ZINC000595488801 459321543 /nfs/dbraw/zinc/32/15/43/459321543.db2.gz MMQTZGJIILTRRO-JTQLQIEISA-N 0 0 339.111 3.494 10 5 EGBERN C[C@@]12CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]1C2(F)F ZINC000591163005 459327085 /nfs/dbraw/zinc/32/70/85/459327085.db2.gz CZADJFBABQJRKN-GXSJLCMTSA-N 0 0 337.248 3.490 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000595523274 459334044 /nfs/dbraw/zinc/33/40/44/459334044.db2.gz QJZIEXHXNLFSFB-UHFFFAOYSA-N 0 0 347.337 3.415 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595545112 459341154 /nfs/dbraw/zinc/34/11/54/459341154.db2.gz OAYWSAQDAKMLJT-ZIAGYGMSSA-N 0 0 347.415 3.317 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)Oc2ccccc2)c1 ZINC000541114155 459428290 /nfs/dbraw/zinc/42/82/90/459428290.db2.gz HCPCXVCAOZEOEY-LBPRGKRZSA-N 0 0 330.340 3.261 10 5 EGBERN Cc1c(Br)c(N2CC(C)=C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000485434644 459455364 /nfs/dbraw/zinc/45/53/64/459455364.db2.gz HTABJOUCHBFZTI-MRVPVSSYSA-N 0 0 326.194 3.463 10 5 EGBERN COc1cc(CN2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000541717711 459482362 /nfs/dbraw/zinc/48/23/62/459482362.db2.gz FCHFCOXEMNMIJW-GOSISDBHSA-N 0 0 334.416 3.385 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000595915981 459485944 /nfs/dbraw/zinc/48/59/44/459485944.db2.gz JUHUTAOYWRVECM-OTYXRUKQSA-N 0 0 334.750 3.493 10 5 EGBERN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000595923515 459487899 /nfs/dbraw/zinc/48/78/99/459487899.db2.gz XXQMODHGGKSHGD-CLAHSXSESA-N 0 0 336.285 3.118 10 5 EGBERN CC[C@H](NC(=O)N1CCOC[C@@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000591972849 459502092 /nfs/dbraw/zinc/50/20/92/459502092.db2.gz ABEKAOTZPOXOPZ-DLBZAZTESA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@H](NC(=O)N(CC)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000591976917 459503506 /nfs/dbraw/zinc/50/35/06/459503506.db2.gz TWVYAOIZJHYSIE-AWEZNQCLSA-N 0 0 325.434 3.440 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[C@@]1(O)CCOC1 ZINC000591987935 459505603 /nfs/dbraw/zinc/50/56/03/459505603.db2.gz NJITUBXFXMZPSI-OAHLLOKOSA-N 0 0 328.796 3.146 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3(CC=CC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000591994846 459507312 /nfs/dbraw/zinc/50/73/12/459507312.db2.gz UMLFNGRMAQQVCD-OAHLLOKOSA-N 0 0 345.399 3.266 10 5 EGBERN COc1cc(NCCCN2CCCCC2=O)c(Cl)cc1[N+](=O)[O-] ZINC000596116107 459526528 /nfs/dbraw/zinc/52/65/28/459526528.db2.gz JDHZYXFFMANEKH-UHFFFAOYSA-N 0 0 341.795 3.071 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@@H](C)O1 ZINC000596120824 459528387 /nfs/dbraw/zinc/52/83/87/459528387.db2.gz TWMRWHUMBLBMJJ-NXEZZACHSA-N 0 0 342.779 3.039 10 5 EGBERN COc1cc(NCCCOC[C@@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596136348 459532339 /nfs/dbraw/zinc/53/23/39/459532339.db2.gz SPBVCOLWDIEIBE-NSHDSACASA-N 0 0 344.795 3.112 10 5 EGBERN O=C(CNC1(c2ccccc2F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592144205 459536772 /nfs/dbraw/zinc/53/67/72/459536772.db2.gz CXVWYEMHAXOYGA-UHFFFAOYSA-N 0 0 343.358 3.341 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCc1noc(C2CC2)n1 ZINC000596181151 459550750 /nfs/dbraw/zinc/55/07/50/459550750.db2.gz XVWITHVWOVPGIX-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N(CCC1CC1)CC1CC1 ZINC000596187132 459553938 /nfs/dbraw/zinc/55/39/38/459553938.db2.gz OBWFAGZBKGKARB-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@H](C2CCCCC2)C1 ZINC000596198949 459558707 /nfs/dbraw/zinc/55/87/07/459558707.db2.gz PCVMLEPYLOGWEH-AWEZNQCLSA-N 0 0 325.796 3.429 10 5 EGBERN COc1cc(NCC2(CF)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596254047 459575435 /nfs/dbraw/zinc/57/54/35/459575435.db2.gz GPLMOFDMIHFUIK-UHFFFAOYSA-N 0 0 332.759 3.435 10 5 EGBERN COc1cc(N2CCO[C@@H](C3CCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596269349 459579859 /nfs/dbraw/zinc/57/98/59/459579859.db2.gz ADVVSVFMAZWFTJ-OAHLLOKOSA-N 0 0 326.780 3.262 10 5 EGBERN C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000596296805 459587610 /nfs/dbraw/zinc/58/76/10/459587610.db2.gz CHCRGBRDNMFIMN-SDDRHHMPSA-N 0 0 343.374 3.442 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCC(F)(F)CC1 ZINC000596297014 459587836 /nfs/dbraw/zinc/58/78/36/459587836.db2.gz PNMCWLCDLJEKAZ-VIFPVBQESA-N 0 0 327.331 3.320 10 5 EGBERN COc1cc(CCCO)cc(OC)c1OCc1ccccc1[N+](=O)[O-] ZINC000596303476 459590237 /nfs/dbraw/zinc/59/02/37/459590237.db2.gz OQNVFWZROMXRCU-UHFFFAOYSA-N 0 0 347.367 3.116 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596310800 459592782 /nfs/dbraw/zinc/59/27/82/459592782.db2.gz ANOYCWRUEJRVGK-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2COC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596312804 459593781 /nfs/dbraw/zinc/59/37/81/459593781.db2.gz YFDZGOILXOXXNA-QMMMGPOBSA-N 0 0 328.752 3.014 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000596317434 459594637 /nfs/dbraw/zinc/59/46/37/459594637.db2.gz IJASRSUWMXOKQY-ZANVPECISA-N 0 0 334.294 3.077 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncnn21 ZINC000596345064 459602661 /nfs/dbraw/zinc/60/26/61/459602661.db2.gz YZSDPWZINCMJTG-XCBNKYQSSA-N 0 0 327.266 3.323 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596365320 459608425 /nfs/dbraw/zinc/60/84/25/459608425.db2.gz BJDQLDXVHGMYIC-PBFPGSCMSA-N 0 0 345.399 3.121 10 5 EGBERN CC(C)c1ccc2c(c1)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000596411596 459628916 /nfs/dbraw/zinc/62/89/16/459628916.db2.gz MVZCJGLHKWRIQG-UHFFFAOYSA-N 0 0 341.411 3.355 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC=CCC1 ZINC000543165787 459629832 /nfs/dbraw/zinc/62/98/32/459629832.db2.gz DHFGGSOVAKYSEK-ZDUSSCGKSA-N 0 0 338.429 3.134 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(OC2CC2)c1F ZINC000596446239 459638879 /nfs/dbraw/zinc/63/88/79/459638879.db2.gz AQTMHAOIUQSMFW-UHFFFAOYSA-N 0 0 334.351 3.412 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596449123 459640130 /nfs/dbraw/zinc/64/01/30/459640130.db2.gz WWQFZFMXOBPOBR-MEDUHNTESA-N 0 0 325.368 3.095 10 5 EGBERN C[C@]1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1(F)F ZINC000596475774 459650625 /nfs/dbraw/zinc/65/06/25/459650625.db2.gz DFCORWSATBBKIG-MRXNPFEDSA-N 0 0 349.337 3.448 10 5 EGBERN C[C@@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000596483939 459652934 /nfs/dbraw/zinc/65/29/34/459652934.db2.gz QZSYSYIDADXHHG-KBXCAEBGSA-N 0 0 325.368 3.130 10 5 EGBERN COc1cccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000573297669 459654729 /nfs/dbraw/zinc/65/47/29/459654729.db2.gz OLTDHSUNDGBVJW-UHFFFAOYSA-N 0 0 340.379 3.373 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2Cl)CC1 ZINC000592670760 459660382 /nfs/dbraw/zinc/66/03/82/459660382.db2.gz ACMTUUYICILIRP-UHFFFAOYSA-N 0 0 331.759 3.371 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(F)c2)CCC1 ZINC000592676138 459661962 /nfs/dbraw/zinc/66/19/62/459661962.db2.gz KASAGYFAHCTXJB-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2CCC(O)CC2)nc1-c1ccccc1 ZINC000596514602 459662542 /nfs/dbraw/zinc/66/25/42/459662542.db2.gz MDMZNBKYUHZYDB-UHFFFAOYSA-N 0 0 327.384 3.042 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3C[C@H](O)C34CCC4)n2)cc1 ZINC000596515547 459662762 /nfs/dbraw/zinc/66/27/62/459662762.db2.gz ZKKFIXAQLDZWNU-KGLIPLIRSA-N 0 0 331.397 3.434 10 5 EGBERN CC(C)[C@H](O)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000596517350 459663861 /nfs/dbraw/zinc/66/38/61/459663861.db2.gz NUMZVIOSCKBECQ-STQMWFEESA-N 0 0 346.412 3.474 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000596526007 459665641 /nfs/dbraw/zinc/66/56/41/459665641.db2.gz OJONOLBVVYFBRR-CYBMUJFWSA-N 0 0 338.429 3.015 10 5 EGBERN Cc1cc(N2CCc3nccnc3C2)c(Br)cc1[N+](=O)[O-] ZINC000596537969 459669509 /nfs/dbraw/zinc/66/95/09/459669509.db2.gz NQANVVYPUGCSCP-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN CSc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592697192 459669688 /nfs/dbraw/zinc/66/96/88/459669688.db2.gz RIHVBYVZLAAERT-TXEJJXNPSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000596539063 459669862 /nfs/dbraw/zinc/66/98/62/459669862.db2.gz AOVNAJLLZQGHBR-BZNIZROVSA-N 0 0 341.367 3.348 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](CC(F)(F)F)C2)c2ccncc21 ZINC000596557315 459675986 /nfs/dbraw/zinc/67/59/86/459675986.db2.gz HCUYFNIUJZZALB-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1csc(C)c1 ZINC000592731624 459677907 /nfs/dbraw/zinc/67/79/07/459677907.db2.gz YYTCXJOQAPXINF-CYBMUJFWSA-N 0 0 336.417 3.127 10 5 EGBERN CCc1[nH]nc(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c1[N+](=O)[O-] ZINC000596616707 459699280 /nfs/dbraw/zinc/69/92/80/459699280.db2.gz AWUDOGBAMUVEAL-RYUDHWBXSA-N 0 0 339.355 3.277 10 5 EGBERN C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1n1ccnc1 ZINC000563037613 459702121 /nfs/dbraw/zinc/70/21/21/459702121.db2.gz AVVKYFIMBCYLNZ-GUYCJALGSA-N 0 0 341.415 3.153 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ccon2)CC1 ZINC000596624701 459702466 /nfs/dbraw/zinc/70/24/66/459702466.db2.gz KPIBWBNOHZDVEU-UHFFFAOYSA-N 0 0 346.343 3.003 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000596626092 459703461 /nfs/dbraw/zinc/70/34/61/459703461.db2.gz ZWTJPJOOFHOTLN-GFCCVEGCSA-N 0 0 349.387 3.169 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000596625394 459703691 /nfs/dbraw/zinc/70/36/91/459703691.db2.gz CZAQANIZUGSAIR-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(C)o1 ZINC000596634315 459706258 /nfs/dbraw/zinc/70/62/58/459706258.db2.gz WWSZVVLTFYBTKF-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN Cc1nn(CCC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000592900812 459715986 /nfs/dbraw/zinc/71/59/86/459715986.db2.gz IIHPEQFJZZTGCA-QGZVFWFLSA-N 0 0 346.431 3.001 10 5 EGBERN O=C([O-])[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000596658776 459717740 /nfs/dbraw/zinc/71/77/40/459717740.db2.gz VALZRVVQRPTRGA-OAHLLOKOSA-N 0 0 344.367 3.445 10 5 EGBERN COc1ccc2nc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)ccc2c1 ZINC000544050355 459722239 /nfs/dbraw/zinc/72/22/39/459722239.db2.gz BIPBZMQLJSWNJO-UHFFFAOYSA-N 0 0 349.306 3.264 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000593016441 459740714 /nfs/dbraw/zinc/74/07/14/459740714.db2.gz PSUWBYLYIDAPIL-UHFFFAOYSA-N 0 0 344.342 3.299 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000593019301 459741909 /nfs/dbraw/zinc/74/19/09/459741909.db2.gz QMVJLRZSSVYSTD-UHFFFAOYSA-N 0 0 342.399 3.024 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000593023328 459743250 /nfs/dbraw/zinc/74/32/50/459743250.db2.gz QBAFFZKRFRIEPD-QGZVFWFLSA-N 0 0 341.367 3.017 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593090590 459771218 /nfs/dbraw/zinc/77/12/18/459771218.db2.gz APGAHJZMDXDVIM-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CCCCC2)C1 ZINC000544622381 459773603 /nfs/dbraw/zinc/77/36/03/459773603.db2.gz YNBKIQBCWLCBDB-INIZCTEOSA-N 0 0 333.388 3.408 10 5 EGBERN COc1ccccc1[C@H](C[N+](=O)[O-])[C@@H]1CCCC=C1N1CCOCC1 ZINC000584653845 459778864 /nfs/dbraw/zinc/77/88/64/459778864.db2.gz JKWJLOFTSVQTOO-DOTOQJQBSA-N 0 0 346.427 3.072 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1 ZINC000593139130 459785560 /nfs/dbraw/zinc/78/55/60/459785560.db2.gz VFKTWEFWSAJYGS-UHFFFAOYSA-N 0 0 328.343 3.470 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000596903979 459791320 /nfs/dbraw/zinc/79/13/20/459791320.db2.gz MIYQVRQBZZGTIL-OAHLLOKOSA-N 0 0 344.415 3.488 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593167607 459794155 /nfs/dbraw/zinc/79/41/55/459794155.db2.gz AYLSDPVFRZUNBR-GXSJLCMTSA-N 0 0 348.296 3.466 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)nc1 ZINC000545046606 459798422 /nfs/dbraw/zinc/79/84/22/459798422.db2.gz KNNYREVXWQXMDK-UHFFFAOYSA-N 0 0 339.311 3.033 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000596930816 459799127 /nfs/dbraw/zinc/79/91/27/459799127.db2.gz NPSKLKFKNURGFJ-HNNXBMFYSA-N 0 0 349.431 3.330 10 5 EGBERN CC(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000593184185 459799633 /nfs/dbraw/zinc/79/96/33/459799633.db2.gz YMYMLLGOMHHOIG-UHFFFAOYSA-N 0 0 331.347 3.361 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237656 459815890 /nfs/dbraw/zinc/81/58/90/459815890.db2.gz QFYHRBJRSTYPAG-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN COCc1ccnc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000593291424 459832050 /nfs/dbraw/zinc/83/20/50/459832050.db2.gz OLBBSZWGIDUBIO-LBPRGKRZSA-N 0 0 344.371 3.327 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(F)F)ccc1F ZINC000593298644 459833605 /nfs/dbraw/zinc/83/36/05/459833605.db2.gz AJMLSGCOULYTMK-UHFFFAOYSA-N 0 0 342.277 3.205 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1(Cc2ccccc2)CC1 ZINC000574552192 459833582 /nfs/dbraw/zinc/83/35/82/459833582.db2.gz SJKZCCKHJSKULV-UHFFFAOYSA-N 0 0 346.333 3.307 10 5 EGBERN Nc1c(NC(=O)NCCC2(F)CCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091553 459835629 /nfs/dbraw/zinc/83/56/29/459835629.db2.gz CSRQIBKMNFNIQE-UHFFFAOYSA-N 0 0 330.747 3.234 10 5 EGBERN CCC1(CC)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597093420 459836792 /nfs/dbraw/zinc/83/67/92/459836792.db2.gz UKCUPMGOKYLYRF-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN COC[C@@H](C)Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000593308228 459836910 /nfs/dbraw/zinc/83/69/10/459836910.db2.gz RVHUGODLZWECFS-QMMMGPOBSA-N 0 0 343.286 3.071 10 5 EGBERN CCN(CCC1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101818 459837704 /nfs/dbraw/zinc/83/77/04/459837704.db2.gz UOYRMIQQHQZREM-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000593316017 459838772 /nfs/dbraw/zinc/83/87/72/459838772.db2.gz IKLJYQRXBTVWQN-NSHDSACASA-N 0 0 330.340 3.125 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315519 459838944 /nfs/dbraw/zinc/83/89/44/459838944.db2.gz ZSLFAPKVXQHAHO-SJKOYZFVSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315515 459839146 /nfs/dbraw/zinc/83/91/46/459839146.db2.gz ZSLFAPKVXQHAHO-PXAZEXFGSA-N 0 0 347.415 3.160 10 5 EGBERN CC[C@](C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000598251866 459840806 /nfs/dbraw/zinc/84/08/06/459840806.db2.gz WQBYUWBGWZCSGY-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1cc(NCCOCC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574615643 459840982 /nfs/dbraw/zinc/84/09/82/459840982.db2.gz SPPBRUIFFLTYJA-UHFFFAOYSA-N 0 0 342.399 3.011 10 5 EGBERN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000585759009 459842857 /nfs/dbraw/zinc/84/28/57/459842857.db2.gz PDZMCGKZWBCNIJ-NSHDSACASA-N 0 0 347.415 3.136 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298700 459852624 /nfs/dbraw/zinc/85/26/24/459852624.db2.gz MOTZGUZAJOKZDL-AGIUHOORSA-N 0 0 338.429 3.101 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N(CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000585808421 459854473 /nfs/dbraw/zinc/85/44/73/459854473.db2.gz BGJKALVXZZTUNT-UHFFFAOYSA-N 0 0 335.404 3.271 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593358817 459861674 /nfs/dbraw/zinc/86/16/74/459861674.db2.gz LQDPYLXTYHUPHF-CYBMUJFWSA-N 0 0 328.340 3.188 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000593360061 459862289 /nfs/dbraw/zinc/86/22/89/459862289.db2.gz VUUHVXQTXOQYRE-ZDUSSCGKSA-N 0 0 336.388 3.096 10 5 EGBERN COc1cccc(C(=O)NC2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000598317042 459863376 /nfs/dbraw/zinc/86/33/76/459863376.db2.gz ANJPFYMZGMMAGA-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN CO[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000597180117 459865263 /nfs/dbraw/zinc/86/52/63/459865263.db2.gz OSJGTYTXXNAPEN-AWEZNQCLSA-N 0 0 347.396 3.472 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000598349091 459875403 /nfs/dbraw/zinc/87/54/03/459875403.db2.gz KUWGEFUZVFYRSS-LSDHHAIUSA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598354040 459877007 /nfs/dbraw/zinc/87/70/07/459877007.db2.gz UPTQXYWQERUMMH-SJORKVTESA-N 0 0 328.368 3.083 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598355997 459878176 /nfs/dbraw/zinc/87/81/76/459878176.db2.gz YNQWLLXZZBPFAS-LBPRGKRZSA-N 0 0 343.383 3.250 10 5 EGBERN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000598365047 459879957 /nfs/dbraw/zinc/87/99/57/459879957.db2.gz UYVMTKMLFBWPBJ-KPPDAEKUSA-N 0 0 344.333 3.449 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000598368199 459880820 /nfs/dbraw/zinc/88/08/20/459880820.db2.gz YPKOKATYJNATRG-WHXUTIOJSA-N 0 0 334.351 3.118 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000602274299 459881349 /nfs/dbraw/zinc/88/13/49/459881349.db2.gz RLDPGBBSPGEALN-CQSZACIVSA-N 0 0 334.401 3.344 10 5 EGBERN CC(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598381514 459884427 /nfs/dbraw/zinc/88/44/27/459884427.db2.gz MLNWUOJFPBJLQX-UHFFFAOYSA-N 0 0 330.384 3.253 10 5 EGBERN Nc1cc(NCCCCOc2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587084115 459891545 /nfs/dbraw/zinc/89/15/45/459891545.db2.gz JKOCNAYZDZLODM-UHFFFAOYSA-N 0 0 349.362 3.080 10 5 EGBERN Cc1noc(C2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000593457753 459894083 /nfs/dbraw/zinc/89/40/83/459894083.db2.gz OHUQOUNRZCODPS-UHFFFAOYSA-N 0 0 339.355 3.218 10 5 EGBERN Cc1nc(-c2ccc(CNc3ccncc3[N+](=O)[O-])cc2)cs1 ZINC000608974670 459898033 /nfs/dbraw/zinc/89/80/33/459898033.db2.gz WVYIJTXGKYUBQB-UHFFFAOYSA-N 0 0 326.381 3.456 10 5 EGBERN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@H]1c1ccccc1 ZINC000587985923 459898373 /nfs/dbraw/zinc/89/83/73/459898373.db2.gz JBBHRRJVAXKXMD-CXAGYDPISA-N 0 0 341.411 3.299 10 5 EGBERN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000597260062 459899573 /nfs/dbraw/zinc/89/95/73/459899573.db2.gz NATUPTUVNCJUJS-FVQHAEBGSA-N 0 0 340.335 3.218 10 5 EGBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)C1(O)CCOCC1 ZINC000593478478 459901038 /nfs/dbraw/zinc/90/10/38/459901038.db2.gz CNLXHQYWDQFZDJ-UHFFFAOYSA-N 0 0 345.399 3.123 10 5 EGBERN CCCC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609042274 459902156 /nfs/dbraw/zinc/90/21/56/459902156.db2.gz WRFKMXFVDFEHOW-QWRGUYRKSA-N 0 0 332.447 3.294 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000588014672 459902465 /nfs/dbraw/zinc/90/24/65/459902465.db2.gz CBFOFRRFLRTOEH-APPDUMDISA-N 0 0 333.388 3.101 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000597277366 459902968 /nfs/dbraw/zinc/90/29/68/459902968.db2.gz ZLDBWNVSKZLBIF-CYBMUJFWSA-N 0 0 328.372 3.030 10 5 EGBERN Nc1cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588018259 459903567 /nfs/dbraw/zinc/90/35/67/459903567.db2.gz SPKVELMJEPIYIL-RHSMWYFYSA-N 0 0 343.383 3.002 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598465337 459903776 /nfs/dbraw/zinc/90/37/76/459903776.db2.gz LVMLTBWKHIHMKG-UHFFFAOYSA-N 0 0 332.372 3.485 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000598460532 459903860 /nfs/dbraw/zinc/90/38/60/459903860.db2.gz ZJUFBXSLVMOWKE-USXIJHARSA-N 0 0 326.327 3.110 10 5 EGBERN Cc1nn(CCC(=O)N2CCCC[C@@H]2CC2CCC2)c(C)c1[N+](=O)[O-] ZINC000598462862 459904152 /nfs/dbraw/zinc/90/41/52/459904152.db2.gz SCEVBNUXRDKFEH-MRXNPFEDSA-N 0 0 348.447 3.370 10 5 EGBERN CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nc1C ZINC000598467209 459904972 /nfs/dbraw/zinc/90/49/72/459904972.db2.gz UBZPIBZMEADRMD-UHFFFAOYSA-N 0 0 345.355 3.105 10 5 EGBERN CCN(c1ncc([N+](=O)[O-])c(C)c1Br)[C@H]1CCCOC1 ZINC000593496636 459906548 /nfs/dbraw/zinc/90/65/48/459906548.db2.gz USGBHNJOCCNILU-JTQLQIEISA-N 0 0 344.209 3.066 10 5 EGBERN CC1(C)CC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000598504723 459923795 /nfs/dbraw/zinc/92/37/95/459923795.db2.gz NXAJSVVIRYNXDG-UHFFFAOYSA-N 0 0 346.305 3.454 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2onc3c2CCCC3)cc1[N+](=O)[O-] ZINC000597352917 459926073 /nfs/dbraw/zinc/92/60/73/459926073.db2.gz ZJMAXEVVTPRKHF-LLVKDONJSA-N 0 0 329.356 3.261 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000598508935 459926433 /nfs/dbraw/zinc/92/64/33/459926433.db2.gz SBEVPDDRHOTDKZ-PWSUYJOCSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCO1 ZINC000597423012 459948062 /nfs/dbraw/zinc/94/80/62/459948062.db2.gz XJZQGIUTZBSRMP-CXAGYDPISA-N 0 0 332.400 3.291 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC1(F)F ZINC000588362273 459951538 /nfs/dbraw/zinc/95/15/38/459951538.db2.gz VIUXFBUSZVVNHY-AWEZNQCLSA-N 0 0 341.358 3.405 10 5 EGBERN COC(=O)c1ccnc(N[C@@H]2CCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000598595395 459957637 /nfs/dbraw/zinc/95/76/37/459957637.db2.gz RNFCFCDWHLHMJT-CYBMUJFWSA-N 0 0 331.303 3.015 10 5 EGBERN O=C(C1[C@H]2CCCCCC[C@H]12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597477751 459968331 /nfs/dbraw/zinc/96/83/31/459968331.db2.gz NTXQKATWUYMCQJ-GJZGRUSLSA-N 0 0 329.400 3.091 10 5 EGBERN COC(=O)c1ccnc(N2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598628349 459968436 /nfs/dbraw/zinc/96/84/36/459968436.db2.gz PMSFAHNYGOJWLT-CQSZACIVSA-N 0 0 341.367 3.160 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(C(C)(C)O)CC1 ZINC000593752437 459973894 /nfs/dbraw/zinc/97/38/94/459973894.db2.gz LFLDDUSQMHLJRS-UHFFFAOYSA-N 0 0 335.404 3.152 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC3(C(F)F)CCCC3)cc2N1 ZINC000588860941 459994079 /nfs/dbraw/zinc/99/40/79/459994079.db2.gz DMSIVPHWKWMSIN-UHFFFAOYSA-N 0 0 325.315 3.469 10 5 EGBERN CO[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000597585027 460000460 /nfs/dbraw/zinc/00/04/60/460000460.db2.gz UCSQKEMRBGJFKF-ZDUSSCGKSA-N 0 0 346.305 3.045 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597632189 460013256 /nfs/dbraw/zinc/01/32/56/460013256.db2.gz QLJYSODROSAHKQ-QPUJVOFHSA-N 0 0 343.177 3.111 10 5 EGBERN CCOC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000597632271 460013379 /nfs/dbraw/zinc/01/33/79/460013379.db2.gz RRMKEXMNVDCCLE-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCc2ccccc2N1 ZINC000593914211 460016137 /nfs/dbraw/zinc/01/61/37/460016137.db2.gz AXFBAGJQDOISJO-INIZCTEOSA-N 0 0 339.395 3.071 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(C)o1 ZINC000597665874 460022480 /nfs/dbraw/zinc/02/24/80/460022480.db2.gz HCSWSEABPKZHDP-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000597666417 460023101 /nfs/dbraw/zinc/02/31/01/460023101.db2.gz PMYFWXLQSWGSBB-YPMHNXCESA-N 0 0 330.306 3.327 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1C(F)(F)F ZINC000597666414 460023269 /nfs/dbraw/zinc/02/32/69/460023269.db2.gz PMYFWXLQSWGSBB-WCQYABFASA-N 0 0 330.306 3.327 10 5 EGBERN C[C@@H](NC(=O)C[C@@H]1OCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593965822 460030599 /nfs/dbraw/zinc/03/05/99/460030599.db2.gz VYBKSFOSDTXEDG-PXAZEXFGSA-N 0 0 326.352 3.434 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1cc(-c2ccccc2)no1 ZINC000589105914 460031049 /nfs/dbraw/zinc/03/10/49/460031049.db2.gz AJKXRRQKCJAJEJ-UHFFFAOYSA-N 0 0 330.731 3.332 10 5 EGBERN O=[N+]([O-])c1cc(N2CCN(CC(F)F)CC2)ccc1C(F)(F)F ZINC000589110030 460031625 /nfs/dbraw/zinc/03/16/25/460031625.db2.gz ZQSKPIVSLVEPKX-UHFFFAOYSA-N 0 0 339.264 3.001 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000589107767 460031686 /nfs/dbraw/zinc/03/16/86/460031686.db2.gz KDQDIYSHTFIOPP-GFCCVEGCSA-N 0 0 349.341 3.403 10 5 EGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598781674 460032013 /nfs/dbraw/zinc/03/20/13/460032013.db2.gz OTQFFKTZAHIMLW-UHFFFAOYSA-N 0 0 339.189 3.229 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1CCCCC2 ZINC000598804962 460042632 /nfs/dbraw/zinc/04/26/32/460042632.db2.gz AUSQFASYGFANGO-LBPRGKRZSA-N 0 0 340.383 3.109 10 5 EGBERN Cc1cccc(COCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000598805178 460042639 /nfs/dbraw/zinc/04/26/39/460042639.db2.gz FNTRDAZLTMUUBN-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc2nccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000610026237 460053672 /nfs/dbraw/zinc/05/36/72/460053672.db2.gz HPDOWURJLLTUSW-LLVKDONJSA-N 0 0 325.328 3.125 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)COCc1ccc(C)cc1 ZINC000598842527 460062672 /nfs/dbraw/zinc/06/26/72/460062672.db2.gz QATONBOKFWBIGX-UHFFFAOYSA-N 0 0 344.367 3.457 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598881874 460082954 /nfs/dbraw/zinc/08/29/54/460082954.db2.gz HLQIAEBFOKLEBP-CQSZACIVSA-N 0 0 346.427 3.433 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594073910 460088587 /nfs/dbraw/zinc/08/85/87/460088587.db2.gz UVTRQFPDUWNHBV-RDJZCZTQSA-N 0 0 344.367 3.419 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594074524 460088752 /nfs/dbraw/zinc/08/87/52/460088752.db2.gz XJRCTCROFFHTRY-ZFWWWQNUSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC12CCCCC2 ZINC000597874350 460090841 /nfs/dbraw/zinc/09/08/41/460090841.db2.gz ONHNNILIEBXHGQ-AWEZNQCLSA-N 0 0 334.420 3.109 10 5 EGBERN Cc1ccc([C@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938610 460095404 /nfs/dbraw/zinc/09/54/04/460095404.db2.gz BUIAMSNBHOHLDM-SCLBCKFNSA-N 0 0 339.395 3.267 10 5 EGBERN Cc1c(C(=O)N2CCc3nc(C(C)C)ncc3C2)cccc1[N+](=O)[O-] ZINC000598937695 460096038 /nfs/dbraw/zinc/09/60/38/460096038.db2.gz PPHOQHWJQBSUKC-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN Cc1cnc(N2CCc3nccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000598942660 460097503 /nfs/dbraw/zinc/09/75/03/460097503.db2.gz OATCGKWQONZPNA-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594094902 460099743 /nfs/dbraw/zinc/09/97/43/460099743.db2.gz QKVKVGMSYYPXCT-TZMCWYRMSA-N 0 0 337.376 3.073 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2CCCCC2)C1=O ZINC000610286070 460107517 /nfs/dbraw/zinc/10/75/17/460107517.db2.gz YYZZNCRYVXVYLX-GOSISDBHSA-N 0 0 345.399 3.332 10 5 EGBERN COc1c(C(=O)N[C@H](C)Cc2ccc(F)cc2C)cccc1[N+](=O)[O-] ZINC000597918583 460111119 /nfs/dbraw/zinc/11/11/19/460111119.db2.gz IDDZTYGNJSDMFK-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597919017 460111309 /nfs/dbraw/zinc/11/13/09/460111309.db2.gz JQIQKTAIGZBIMO-CYBMUJFWSA-N 0 0 346.358 3.169 10 5 EGBERN COc1ccc(CC(=O)N2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000597921066 460112251 /nfs/dbraw/zinc/11/22/51/460112251.db2.gz DTEPSQJNGFMOIX-UHFFFAOYSA-N 0 0 344.367 3.145 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597920130 460112500 /nfs/dbraw/zinc/11/25/00/460112500.db2.gz SMRVBCQCIYUOHX-ZDUSSCGKSA-N 0 0 346.358 3.169 10 5 EGBERN CNc1c(C(=O)N2CCC(c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000597926643 460113639 /nfs/dbraw/zinc/11/36/39/460113639.db2.gz VXIJYUXHSSBJMN-UHFFFAOYSA-N 0 0 329.356 3.249 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)cc21 ZINC000618685844 460126804 /nfs/dbraw/zinc/12/68/04/460126804.db2.gz VKXHALPHGQCFEC-UHFFFAOYSA-N 0 0 347.334 3.134 10 5 EGBERN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC(C2CC2)C1 ZINC000589724725 460131175 /nfs/dbraw/zinc/13/11/75/460131175.db2.gz QCJTYVCZURONPE-UHFFFAOYSA-N 0 0 344.289 3.018 10 5 EGBERN Cc1ccncc1CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000597977674 460132821 /nfs/dbraw/zinc/13/28/21/460132821.db2.gz JTNSGTNTIHQARC-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN Cc1ccncc1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000597978085 460133955 /nfs/dbraw/zinc/13/39/55/460133955.db2.gz MYJXQFRDCBDDRF-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN C[C@H]1CC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)C1 ZINC000597981486 460135491 /nfs/dbraw/zinc/13/54/91/460135491.db2.gz YNBBYIRNHPQKBN-VXGBXAGGSA-N 0 0 348.399 3.168 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594175630 460137527 /nfs/dbraw/zinc/13/75/27/460137527.db2.gz MCMMHALTZIEYBS-GOEBONIOSA-N 0 0 334.416 3.336 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC)[C@@H]1CCCCO1 ZINC000594180352 460139087 /nfs/dbraw/zinc/13/90/87/460139087.db2.gz ZGFVZODSMGDONX-JSGCOSHPSA-N 0 0 336.388 3.071 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594179285 460139249 /nfs/dbraw/zinc/13/92/49/460139249.db2.gz XDBBWECUMPSALF-UVBJJODRSA-N 0 0 338.379 3.301 10 5 EGBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000599056312 460143235 /nfs/dbraw/zinc/14/32/35/460143235.db2.gz WRWSKPUJIKVMDP-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN COc1cc(C(F)(F)F)nc(N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000599060461 460145006 /nfs/dbraw/zinc/14/50/06/460145006.db2.gz AHKDVPUKFZQRPS-MRVPVSSYSA-N 0 0 342.277 3.007 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594201779 460148404 /nfs/dbraw/zinc/14/84/04/460148404.db2.gz AABPJYGBUHRAGD-CQSZACIVSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1ccc2c(c1)[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC2 ZINC000589877088 460155023 /nfs/dbraw/zinc/15/50/23/460155023.db2.gz ZDDHXIMJGLGKEQ-QGZVFWFLSA-N 0 0 327.384 3.467 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000598068194 460158746 /nfs/dbraw/zinc/15/87/46/460158746.db2.gz WDUCRHAXUSVYNC-KDURUIRLSA-N 0 0 346.427 3.391 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599118565 460165759 /nfs/dbraw/zinc/16/57/59/460165759.db2.gz KACHWXHWIUDRIT-IXDOHACOSA-N 0 0 342.782 3.450 10 5 EGBERN CC(=O)c1cc(NCc2c(C(F)(F)F)cnn2C)ccc1[N+](=O)[O-] ZINC000599124707 460167931 /nfs/dbraw/zinc/16/79/31/460167931.db2.gz PXQFIFWMRRGRKB-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000594242862 460169426 /nfs/dbraw/zinc/16/94/26/460169426.db2.gz VZSIFPFUVHGACZ-CQSZACIVSA-N 0 0 337.420 3.154 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000599145806 460175284 /nfs/dbraw/zinc/17/52/84/460175284.db2.gz AZYLLAKXPDQDPK-GXTWGEPZSA-N 0 0 349.431 3.411 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CC3CCC(F)(F)CC3)n2)n1C ZINC000599153342 460180049 /nfs/dbraw/zinc/18/00/49/460180049.db2.gz BNQGCFQMGLNGMS-UHFFFAOYSA-N 0 0 341.318 3.055 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000599183197 460191142 /nfs/dbraw/zinc/19/11/42/460191142.db2.gz YNFMFMWMPPEADN-SNVBAGLBSA-N 0 0 343.387 3.333 10 5 EGBERN CC(C)Cc1ccccc1-c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000599182341 460191379 /nfs/dbraw/zinc/19/13/79/460191379.db2.gz LFJSJRKYDYYANQ-UHFFFAOYSA-N 0 0 327.344 3.088 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CC(Cc2ccccc2Br)C1 ZINC000599184496 460192958 /nfs/dbraw/zinc/19/29/58/460192958.db2.gz MHCJHKNWABXRSK-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN CC(C)c1[nH]nc(-c2nc(-c3coc(C4CC4)n3)no2)c1[N+](=O)[O-] ZINC000599188450 460193657 /nfs/dbraw/zinc/19/36/57/460193657.db2.gz YRYKEPLLGPGQSS-UHFFFAOYSA-N 0 0 330.304 3.024 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610596572 460194437 /nfs/dbraw/zinc/19/44/37/460194437.db2.gz HRPBETKYGAFYIG-ZIAGYGMSSA-N 0 0 342.399 3.462 10 5 EGBERN COc1ccc([C@@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599193250 460194693 /nfs/dbraw/zinc/19/46/93/460194693.db2.gz INOZWVHBUBSINK-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN COC[C@@]1(C)CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000599202222 460198398 /nfs/dbraw/zinc/19/83/98/460198398.db2.gz NYGKNSWVBHQQSI-CQSZACIVSA-N 0 0 348.321 3.164 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594395776 460204950 /nfs/dbraw/zinc/20/49/50/460204950.db2.gz HTFMNHKKSZOVHT-DOTOQJQBSA-N 0 0 343.383 3.154 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000598210057 460205415 /nfs/dbraw/zinc/20/54/15/460205415.db2.gz XONUBONOPUPFSG-RWMBFGLXSA-N 0 0 348.399 3.168 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598211244 460205861 /nfs/dbraw/zinc/20/58/61/460205861.db2.gz DLXAQXWTWVFAKY-FRFSOERESA-N 0 0 334.416 3.237 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598212517 460206076 /nfs/dbraw/zinc/20/60/76/460206076.db2.gz KBXUEGUQGGDGTN-DGCLKSJQSA-N 0 0 338.429 3.394 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000598216899 460208588 /nfs/dbraw/zinc/20/85/88/460208588.db2.gz RWXXZALHQJOIML-NSHDSACASA-N 0 0 349.131 3.132 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000598226426 460213881 /nfs/dbraw/zinc/21/38/81/460213881.db2.gz LUZMKTHGJPGMKP-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN Cc1cccc(CC2CN(c3nc4sccn4c3[N+](=O)[O-])C2)c1 ZINC000610716447 460224155 /nfs/dbraw/zinc/22/41/55/460224155.db2.gz SNYNLLBEGYSKPD-UHFFFAOYSA-N 0 0 328.397 3.291 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610720687 460224682 /nfs/dbraw/zinc/22/46/82/460224682.db2.gz ZVUJTJBGEYQSKY-MRXNPFEDSA-N 0 0 349.431 3.032 10 5 EGBERN Cc1nc(N[C@H](Cc2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610755250 460231775 /nfs/dbraw/zinc/23/17/75/460231775.db2.gz HAHCRISWWASPQN-OAHLLOKOSA-N 0 0 337.383 3.428 10 5 EGBERN O=C(Nc1ccc(Cl)c2ncccc12)c1ccc([N+](=O)[O-])cn1 ZINC000610769281 460234589 /nfs/dbraw/zinc/23/45/89/460234589.db2.gz AGEXLJSMSKTRPK-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1noc2c1CCCCC2 ZINC000614971226 460256420 /nfs/dbraw/zinc/25/64/20/460256420.db2.gz KYRLFEXEQJWREI-NSHDSACASA-N 0 0 341.367 3.443 10 5 EGBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc2ccccc2c2cccnc12 ZINC000619085098 460265006 /nfs/dbraw/zinc/26/50/06/460265006.db2.gz AIFMTNXWJGQEKB-QZTJIDSGSA-N 0 0 332.403 3.421 10 5 EGBERN CSCCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599533098 460269119 /nfs/dbraw/zinc/26/91/19/460269119.db2.gz HHHQYMABDKFZGJ-UHFFFAOYSA-N 0 0 347.234 3.230 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ocnc1C(F)F ZINC000599541472 460271232 /nfs/dbraw/zinc/27/12/32/460271232.db2.gz LWJGNTKZARORHT-UHFFFAOYSA-N 0 0 339.298 3.273 10 5 EGBERN CC(C)C1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611078159 460286860 /nfs/dbraw/zinc/28/68/60/460286860.db2.gz CRJMJIVZNXHNNU-UHFFFAOYSA-N 0 0 326.780 3.132 10 5 EGBERN Cc1cc(N2CC3(CC(F)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611133041 460294828 /nfs/dbraw/zinc/29/48/28/460294828.db2.gz OMPPCNYHHATFPK-UHFFFAOYSA-N 0 0 328.347 3.299 10 5 EGBERN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1C(F)F ZINC000611224057 460311123 /nfs/dbraw/zinc/31/11/23/460311123.db2.gz JRROISMDMUYXML-UHFFFAOYSA-N 0 0 347.281 3.066 10 5 EGBERN CSc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000611231568 460312563 /nfs/dbraw/zinc/31/25/63/460312563.db2.gz ZDVPCTONVMMGAN-UHFFFAOYSA-N 0 0 332.385 3.152 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC2(C1)CC(F)(F)C2 ZINC000611238897 460314739 /nfs/dbraw/zinc/31/47/39/460314739.db2.gz LOVCDKXYCBGEJC-UHFFFAOYSA-N 0 0 330.718 3.048 10 5 EGBERN C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1F ZINC000599738808 460324331 /nfs/dbraw/zinc/32/43/31/460324331.db2.gz CLFWDDIZXIKQQN-PSASIEDQSA-N 0 0 345.168 3.177 10 5 EGBERN CO[C@H]1C[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000599785881 460333269 /nfs/dbraw/zinc/33/32/69/460333269.db2.gz CSFVYBAQVOEWLP-BJHJDKERSA-N 0 0 335.404 3.439 10 5 EGBERN CCOC[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830985 460343893 /nfs/dbraw/zinc/34/38/93/460343893.db2.gz HVODXSJQDPQBKD-GFCCVEGCSA-N 0 0 344.371 3.033 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCCOC1 ZINC000599834644 460344665 /nfs/dbraw/zinc/34/46/65/460344665.db2.gz KUVIOMGSXMWPPQ-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN O=C(NC[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834839 460344688 /nfs/dbraw/zinc/34/46/88/460344688.db2.gz JERVVCAROMGLBE-JTQLQIEISA-N 0 0 332.385 3.018 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000600148330 460406338 /nfs/dbraw/zinc/40/63/38/460406338.db2.gz RTYNNRNADZOYHO-SFHVURJKSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611586100 460411626 /nfs/dbraw/zinc/41/16/26/460411626.db2.gz MDPDHSKMRWFQRT-MRVPVSSYSA-N 0 0 334.706 3.092 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000611617330 460414667 /nfs/dbraw/zinc/41/46/67/460414667.db2.gz GCLATEIESWGQAP-UHFFFAOYSA-N 0 0 339.395 3.414 10 5 EGBERN COc1cccc2c1OC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000611616104 460415265 /nfs/dbraw/zinc/41/52/65/460415265.db2.gz PNQJJYJHSQHQJU-CYBMUJFWSA-N 0 0 329.356 3.031 10 5 EGBERN CCCc1n[nH]c(C(=O)NCC(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000600166807 460416146 /nfs/dbraw/zinc/41/61/46/460416146.db2.gz LDZSNWODGVBMJB-UHFFFAOYSA-N 0 0 334.420 3.217 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600167004 460416888 /nfs/dbraw/zinc/41/68/88/460416888.db2.gz CVNPDFGZAQHVTC-GRYCIOLGSA-N 0 0 341.367 3.015 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600172229 460419450 /nfs/dbraw/zinc/41/94/50/460419450.db2.gz WUHSTLZCDDXADM-JTQLQIEISA-N 0 0 346.305 3.160 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619730086 460423419 /nfs/dbraw/zinc/42/34/19/460423419.db2.gz HLWVWFFNPODCDI-UHFFFAOYSA-N 0 0 346.427 3.391 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611667154 460426496 /nfs/dbraw/zinc/42/64/96/460426496.db2.gz BZZWUBSIBFPEML-SCZZXKLOSA-N 0 0 332.278 3.016 10 5 EGBERN CC(C)CCc1cc(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH][nH]1 ZINC000615934236 460432119 /nfs/dbraw/zinc/43/21/19/460432119.db2.gz KSSYAGHXMIALJA-UHFFFAOYSA-N 0 0 341.371 3.062 10 5 EGBERN Cc1cccc2[nH]cc(CCNc3ncnc4ccc([N+](=O)[O-])cc43)c21 ZINC000611710737 460436893 /nfs/dbraw/zinc/43/68/93/460436893.db2.gz OCBULJYSABOTAH-UHFFFAOYSA-N 0 0 347.378 3.404 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000600268541 460461361 /nfs/dbraw/zinc/46/13/61/460461361.db2.gz UGXGEKOAPBFSHA-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000600365116 460483483 /nfs/dbraw/zinc/48/34/83/460483483.db2.gz KTIPMNIJEJBTSV-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600446560 460496933 /nfs/dbraw/zinc/49/69/33/460496933.db2.gz NIPUDCPNAYONPM-AMDHYVTDSA-N 0 0 334.397 3.351 10 5 EGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000600518951 460510836 /nfs/dbraw/zinc/51/08/36/460510836.db2.gz ZNJYEGUNVORTSD-CQSZACIVSA-N 0 0 330.388 3.309 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1cc([N+](=O)[O-])ccc1C ZINC000600521089 460511606 /nfs/dbraw/zinc/51/16/06/460511606.db2.gz UCJSBTRJMQEIFW-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN O=C1[C@@H](Nc2ccsc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000616403008 460547220 /nfs/dbraw/zinc/54/72/20/460547220.db2.gz MGTIIBYMEUMHSB-LBPRGKRZSA-N 0 0 335.360 3.008 10 5 EGBERN Cc1scc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C ZINC000601219287 460755064 /nfs/dbraw/zinc/75/50/64/460755064.db2.gz GHGHBHGILWHBSV-UHFFFAOYSA-N 0 0 346.455 3.350 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(F)(F)F ZINC000601237260 460761607 /nfs/dbraw/zinc/76/16/07/460761607.db2.gz AWCXFBFIQLSXNK-MLUIRONXSA-N 0 0 343.099 3.081 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000601252333 460766335 /nfs/dbraw/zinc/76/63/35/460766335.db2.gz ICZJODUHSFJODZ-UNEWFSDZSA-N 0 0 327.384 3.273 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CCCn4nccc43)n2)cc1 ZINC000601269665 460770430 /nfs/dbraw/zinc/77/04/30/460770430.db2.gz KJEWZFIQXNREJZ-ZDUSSCGKSA-N 0 0 341.396 3.284 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000601280661 460774050 /nfs/dbraw/zinc/77/40/50/460774050.db2.gz HMXPWMBKXYYLHD-VBNZEHGJSA-N 0 0 332.400 3.143 10 5 EGBERN Cc1cc(S(=O)(=O)N2C3CCCC2CCC3)c([N+](=O)[O-])s1 ZINC000601358396 460794901 /nfs/dbraw/zinc/79/49/01/460794901.db2.gz QOFAPSROXPYCOE-UHFFFAOYSA-N 0 0 330.431 3.060 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(C[C@H]4CCCO4)no3)CCC2)cc1 ZINC000601370784 460796996 /nfs/dbraw/zinc/79/69/96/460796996.db2.gz XAKCKGUYTCXFCJ-CQSZACIVSA-N 0 0 329.356 3.169 10 5 EGBERN C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000613027408 460808106 /nfs/dbraw/zinc/80/81/06/460808106.db2.gz XOXUECLQRYGDQB-YGRLFVJLSA-N 0 0 326.343 3.218 10 5 EGBERN CC(C)OCCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601426585 460809805 /nfs/dbraw/zinc/80/98/05/460809805.db2.gz GMFULOYRSIPGKF-UHFFFAOYSA-N 0 0 334.416 3.338 10 5 EGBERN CCOC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)C ZINC000601526115 460825154 /nfs/dbraw/zinc/82/51/54/460825154.db2.gz IIEIQXRTYLGVSS-MRXNPFEDSA-N 0 0 334.416 3.194 10 5 EGBERN C[C@@H]1C[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)O1 ZINC000601540022 460826943 /nfs/dbraw/zinc/82/69/43/460826943.db2.gz QXFDRQFAPYOLEX-KKFJDGPESA-N 0 0 346.305 3.043 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]1C(F)F ZINC000601606093 460845873 /nfs/dbraw/zinc/84/58/73/460845873.db2.gz RIFMWSWQXPHLTJ-NSHDSACASA-N 0 0 339.323 3.198 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000601704820 460877728 /nfs/dbraw/zinc/87/77/28/460877728.db2.gz KUBSSEXUYDPDDC-LBPRGKRZSA-N 0 0 326.299 3.259 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601767290 460892798 /nfs/dbraw/zinc/89/27/98/460892798.db2.gz LXNIFYMLDYGSQC-YWVKMMECSA-N 0 0 344.820 3.022 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn2c1CCCC2 ZINC000601826143 460913534 /nfs/dbraw/zinc/91/35/34/460913534.db2.gz UMCMTKFQTRQEHN-CQSZACIVSA-N 0 0 342.399 3.335 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC1CCC1 ZINC000601886321 460936682 /nfs/dbraw/zinc/93/66/82/460936682.db2.gz UPMDLOZILQRQFJ-UHFFFAOYSA-N 0 0 328.372 3.461 10 5 EGBERN CCOC(=O)c1ncc(CNc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000601924887 460946498 /nfs/dbraw/zinc/94/64/98/460946498.db2.gz ITXURWDRTPYUBG-UHFFFAOYSA-N 0 0 335.385 3.457 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3ccccn3)no2)c2cccnc21 ZINC000613643488 461023906 /nfs/dbraw/zinc/02/39/06/461023906.db2.gz SCVMINDEKZXHFR-UHFFFAOYSA-N 0 0 349.306 3.167 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(C2CCSCC2)n1 ZINC000601715565 468983119 /nfs/dbraw/zinc/98/31/19/468983119.db2.gz MOAQMHAIAIBZJE-UHFFFAOYSA-N 0 0 346.412 3.041 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000162236151 534332221 /nfs/dbraw/zinc/33/22/21/534332221.db2.gz KRJVSVURSDKYOW-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374711397 518189865 /nfs/dbraw/zinc/18/98/65/518189865.db2.gz HGJJSUQJQOUWHB-OAHLLOKOSA-N 0 0 340.383 3.395 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000477695438 518202946 /nfs/dbraw/zinc/20/29/46/518202946.db2.gz BAYNQDRUTRTSHU-LLVKDONJSA-N 0 0 340.301 3.275 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000187058506 534565061 /nfs/dbraw/zinc/56/50/61/534565061.db2.gz WEYDCFCVUKYORO-HNNXBMFYSA-N 0 0 331.397 3.266 10 5 EGBERN O=C(CSC1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131067506 534658514 /nfs/dbraw/zinc/65/85/14/534658514.db2.gz CANKDDNPSDRTGC-UHFFFAOYSA-N 0 0 330.793 3.099 10 5 EGBERN CCOc1cc(NCc2nnc(C3CCC3)n2C)ccc1[N+](=O)[O-] ZINC000133947451 528330098 /nfs/dbraw/zinc/33/00/98/528330098.db2.gz RNUQJJKELPBAGX-UHFFFAOYSA-N 0 0 331.376 3.002 10 5 EGBERN CC[C@@H](NC(=O)C(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000186106760 535782789 /nfs/dbraw/zinc/78/27/89/535782789.db2.gz JRDUQACLDNUWNC-OAHLLOKOSA-N 0 0 342.351 3.054 10 5 EGBERN CO[C@H](C)c1nsc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000337851393 536530048 /nfs/dbraw/zinc/53/00/48/536530048.db2.gz FUNGJDXMKNBDOG-SNVBAGLBSA-N 0 0 334.401 3.323 10 5 EGBERN C[C@H]1CSC[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672222274 548410528 /nfs/dbraw/zinc/41/05/28/548410528.db2.gz OYRUPSNJTJBBIH-ZBEGNZNMSA-N 0 0 338.432 3.163 10 5 EGBERN CCc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n[nH]1 ZINC000683541028 550241459 /nfs/dbraw/zinc/24/14/59/550241459.db2.gz KXUGMUPYWKNREG-UHFFFAOYSA-N 0 0 332.363 3.219 10 5 EGBERN COc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1 ZINC000683553690 550242830 /nfs/dbraw/zinc/24/28/30/550242830.db2.gz AIGPHMUXTDCDCR-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN CC[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000726008206 574522549 /nfs/dbraw/zinc/52/25/49/574522549.db2.gz TVEUEXHAXWYUAT-OAHLLOKOSA-N 0 0 332.356 3.479 10 5 EGBERN CCN(C(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1ccccc1 ZINC000728201697 574729124 /nfs/dbraw/zinc/72/91/24/574729124.db2.gz OICLGXXCBXIOLG-CQSZACIVSA-N 0 0 339.395 3.399 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000728202200 574729449 /nfs/dbraw/zinc/72/94/49/574729449.db2.gz VXDRRUVEXJSKBG-LLVKDONJSA-N 0 0 343.339 3.463 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728503210 574755325 /nfs/dbraw/zinc/75/53/25/574755325.db2.gz RYFJBVXDDXVLAJ-CVEARBPZSA-N 0 0 344.415 3.276 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c(O)cc(F)cc1F ZINC000729000765 574802220 /nfs/dbraw/zinc/80/22/20/574802220.db2.gz OFAHMYOTANXTEP-UHFFFAOYSA-N 0 0 327.214 3.075 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2ncon2)cc1 ZINC000730626820 575006086 /nfs/dbraw/zinc/00/60/86/575006086.db2.gz XCXDUZXAJGVWFU-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(-c2ncon2)cc1 ZINC000730622467 575006158 /nfs/dbraw/zinc/00/61/58/575006158.db2.gz GGIMGBKHHWZFTR-UHFFFAOYSA-N 0 0 331.309 3.063 10 5 EGBERN Nc1c(C(=O)OCc2csc([N+](=O)[O-])c2)ccc2cccnc12 ZINC000731246455 575062691 /nfs/dbraw/zinc/06/26/91/575062691.db2.gz QZIYBJQEEUDVCF-UHFFFAOYSA-N 0 0 329.337 3.144 10 5 EGBERN C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000731528927 575079507 /nfs/dbraw/zinc/07/95/07/575079507.db2.gz RJXHQSDPHWBHFB-MRVPVSSYSA-N 0 0 337.307 3.332 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000732402454 575266802 /nfs/dbraw/zinc/26/68/02/575266802.db2.gz RPAKLKSOILTXTQ-FPLPWBNLSA-N 0 0 331.328 3.290 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000732581470 575278276 /nfs/dbraw/zinc/27/82/76/575278276.db2.gz CMZJEZBOPIEMGZ-ZDUSSCGKSA-N 0 0 327.336 3.200 10 5 EGBERN CC(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000733684063 575382908 /nfs/dbraw/zinc/38/29/08/575382908.db2.gz PMYOXGBXMUMOIH-CJNGLKHVSA-N 0 0 348.399 3.236 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000735487476 575668629 /nfs/dbraw/zinc/66/86/29/575668629.db2.gz KMTWEGOTSVCIQM-QGZVFWFLSA-N 0 0 331.347 3.079 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000742416300 576781808 /nfs/dbraw/zinc/78/18/08/576781808.db2.gz UAQVRMQTBXILPL-UHFFFAOYSA-N 0 0 327.384 3.095 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000742421705 576782540 /nfs/dbraw/zinc/78/25/40/576782540.db2.gz QRIOZQALLLFIBT-FTBGMHHGSA-N 0 0 336.413 3.477 10 5 EGBERN CCC(C)(C)CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000744457598 576828929 /nfs/dbraw/zinc/82/89/29/576828929.db2.gz RBZNLYWBRAINOA-UHFFFAOYSA-N 0 0 336.388 3.003 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCCOC1CCCC1 ZINC000744944528 576837438 /nfs/dbraw/zinc/83/74/38/576837438.db2.gz YIDLRNUZEMKMTB-UHFFFAOYSA-N 0 0 346.383 3.442 10 5 EGBERN C[C@H](O)c1nc2ccccc2n1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033401900 1291386042 /nfs/dbraw/zinc/38/60/42/1291386042.db2.gz QTVHMPRDKGLTFE-KGTBHZDVSA-N 0 0 337.335 3.351 10 5 EGBERN NC(=O)CCOc1ccccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000122375624 1293411403 /nfs/dbraw/zinc/41/14/03/1293411403.db2.gz WVNJACXVSWBXOT-UHFFFAOYSA-N 0 0 349.774 3.115 10 5 EGBERN O=c1[nH]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc2cnccc12 ZINC000151488425 1293926590 /nfs/dbraw/zinc/92/65/90/1293926590.db2.gz DKDMUAQGMKLFDB-DAFODLJHSA-N 0 0 328.715 3.050 10 5 EGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1CCCO1 ZINC000165132408 1294356172 /nfs/dbraw/zinc/35/61/72/1294356172.db2.gz NFYKTJNXQKKYHG-SNVBAGLBSA-N 0 0 344.161 3.118 10 5 EGBERN O=C1COc2cc(NC/C=C/c3ccccc3[N+](=O)[O-])ccc2N1 ZINC000170594884 1294374442 /nfs/dbraw/zinc/37/44/42/1294374442.db2.gz AWJSOBSEYHRGAO-HWKANZROSA-N 0 0 325.324 3.051 10 5 EGBERN CC(C)(COC(=O)c1oc2ccccc2c1Br)[N+](=O)[O-] ZINC000870468776 1295892743 /nfs/dbraw/zinc/89/27/43/1295892743.db2.gz YSUVVDFANDTXTF-UHFFFAOYSA-N 0 0 342.145 3.407 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cn(C)nc1C(F)F ZINC000870700308 1296027859 /nfs/dbraw/zinc/02/78/59/1296027859.db2.gz HFNRYWQYURSPPF-UHFFFAOYSA-N 0 0 339.298 3.240 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000870730507 1296049584 /nfs/dbraw/zinc/04/95/84/1296049584.db2.gz UZGIXSRZHQSIJZ-QWRGUYRKSA-N 0 0 326.780 3.196 10 5 EGBERN O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000870822694 1296102249 /nfs/dbraw/zinc/10/22/49/1296102249.db2.gz PVQULBGTLXEHJW-XYPYZODXSA-N 0 0 337.225 3.001 10 5 EGBERN O=C(CCCc1ccc(F)cc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828301 1296106128 /nfs/dbraw/zinc/10/61/28/1296106128.db2.gz OIJGWLVRDXOZRR-UHFFFAOYSA-N 0 0 347.346 3.200 10 5 EGBERN O=C(CC[C@H]1CC1(Cl)Cl)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827821 1296106386 /nfs/dbraw/zinc/10/63/86/1296106386.db2.gz GHADTHQMWKUYAQ-SILCLGDVSA-N 0 0 348.186 3.012 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000870828032 1296106475 /nfs/dbraw/zinc/10/64/75/1296106475.db2.gz JWCUSQXDSZLOES-AHNOJICISA-N 0 0 333.388 3.254 10 5 EGBERN O=C(CCCc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830040 1296107982 /nfs/dbraw/zinc/10/79/82/1296107982.db2.gz UUVDUEVGDIVZOE-UHFFFAOYSA-N 0 0 329.356 3.061 10 5 EGBERN O=C(NCC1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000871041570 1296193716 /nfs/dbraw/zinc/19/37/16/1296193716.db2.gz PTVKLEALGFOFHX-OAHLLOKOSA-N 0 0 336.363 3.203 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1CC1CCC1 ZINC000871193467 1296266099 /nfs/dbraw/zinc/26/60/99/1296266099.db2.gz PRRLYBUKHVNJKO-RMKNXTFCSA-N 0 0 326.356 3.243 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000871199391 1296270191 /nfs/dbraw/zinc/27/01/91/1296270191.db2.gz POCVRQICHUNJLV-GLQYFDAESA-N 0 0 338.791 3.014 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NOCCCC(F)(F)F ZINC000871213239 1296278198 /nfs/dbraw/zinc/27/81/98/1296278198.db2.gz NATUXAVNSVXLGD-UHFFFAOYSA-N 0 0 340.685 3.181 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871309318 1296339277 /nfs/dbraw/zinc/33/92/77/1296339277.db2.gz FFIFZUQLFCULLN-DZJNRPSUSA-N 0 0 344.411 3.020 10 5 EGBERN CCc1ccc(C(=O)NC[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000871579334 1296438857 /nfs/dbraw/zinc/43/88/57/1296438857.db2.gz IUNSVQYANAKDAL-OAHLLOKOSA-N 0 0 332.400 3.094 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1nccn1CC(F)F ZINC000871710586 1296494866 /nfs/dbraw/zinc/49/48/66/1296494866.db2.gz UMPSOXDMLBIRRB-UHFFFAOYSA-N 0 0 343.355 3.498 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CS[C@H]1CCN(C(C)(C)C)C1=O ZINC000871709713 1296495045 /nfs/dbraw/zinc/49/50/45/1296495045.db2.gz FQIYMVDFGBCBBV-AWEZNQCLSA-N 0 0 338.429 3.236 10 5 EGBERN O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871746559 1296513971 /nfs/dbraw/zinc/51/39/71/1296513971.db2.gz NDFMWQHEVWCOOS-PUYPPJJSSA-N 0 0 339.779 3.327 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000872285216 1296896607 /nfs/dbraw/zinc/89/66/07/1296896607.db2.gz ZIYKLOJCLMIGJW-AEFFLSMTSA-N 0 0 326.352 3.189 10 5 EGBERN C[C@@H](C(=O)N1CCCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000872292585 1296900468 /nfs/dbraw/zinc/90/04/68/1296900468.db2.gz IBNOBLSOZSQKDK-CYBMUJFWSA-N 0 0 325.368 3.463 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCCc2cccnc21 ZINC000872301959 1296905577 /nfs/dbraw/zinc/90/55/77/1296905577.db2.gz YHIJCYKYGMBAAU-UHFFFAOYSA-N 0 0 343.408 3.451 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)O[C@H]1CCCc2nccnc21 ZINC000873551383 1297577312 /nfs/dbraw/zinc/57/73/12/1297577312.db2.gz WGCKFQZWTSTEDR-AWEZNQCLSA-N 0 0 327.340 3.236 10 5 EGBERN COc1cccc(C(=O)O[C@H]2CCO[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000873576315 1297602489 /nfs/dbraw/zinc/60/24/89/1297602489.db2.gz UHMJFTOKWJELDZ-FZMZJTMJSA-N 0 0 337.372 3.354 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)nc1NCc1cc(Br)no1 ZINC000719358595 1298314850 /nfs/dbraw/zinc/31/48/50/1298314850.db2.gz JSNNPBFZKFZTAL-UHFFFAOYSA-N 0 0 333.529 3.006 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000875679255 1298437942 /nfs/dbraw/zinc/43/79/42/1298437942.db2.gz KDDDGJUPGYYICS-VHSXEESVSA-N 0 0 340.763 3.166 10 5 EGBERN Cn1cc(CNc2ccc(OCC(F)(F)F)c(F)c2)c([N+](=O)[O-])n1 ZINC000877500692 1299350871 /nfs/dbraw/zinc/35/08/71/1299350871.db2.gz XUCHLRSPBKTZDK-UHFFFAOYSA-N 0 0 348.256 3.021 10 5 EGBERN CC(=O)c1c(NCCCOCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000882008028 1301783077 /nfs/dbraw/zinc/78/30/77/1301783077.db2.gz PDBAAHQODYQVSA-UHFFFAOYSA-N 0 0 336.388 3.043 10 5 EGBERN CC(=O)c1c(NCc2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000882098581 1301827895 /nfs/dbraw/zinc/82/78/95/1301827895.db2.gz LFZMKRPHDJJJSA-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1COC(C)(C)C1 ZINC000888279825 1304097105 /nfs/dbraw/zinc/09/71/05/1304097105.db2.gz RTXNBWCZIKBROV-SECBINFHSA-N 0 0 327.768 3.246 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)ccc1[N+](=O)[O-] ZINC000888819505 1304289308 /nfs/dbraw/zinc/28/93/08/1304289308.db2.gz XBMIYWMZZFSRLJ-KXBFYZLASA-N 0 0 337.379 3.450 10 5 EGBERN C/C(=C\C(=O)N1CCOC[C@@]1(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000890589886 1304827113 /nfs/dbraw/zinc/82/71/13/1304827113.db2.gz WZXIRXFDDBTZOG-YLZCUGDYSA-N 0 0 330.384 3.026 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC12CCC2 ZINC000891827666 1305180139 /nfs/dbraw/zinc/18/01/39/1305180139.db2.gz KJXDBSLWXRXIBJ-ACCUITESSA-N 0 0 328.368 3.112 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC12CCC2 ZINC000891827669 1305180336 /nfs/dbraw/zinc/18/03/36/1305180336.db2.gz KJXDBSLWXRXIBJ-QBFSEMIESA-N 0 0 328.368 3.112 10 5 EGBERN CO[C@H]1C[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000893396015 1305869130 /nfs/dbraw/zinc/86/91/30/1305869130.db2.gz QGIRDMKXUYXFIV-XWEPSHTISA-N 0 0 333.171 3.056 10 5 EGBERN CC[C@H](NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000893859173 1306100924 /nfs/dbraw/zinc/10/09/24/1306100924.db2.gz SGVDJQHQTXJBRL-WEGGENQUSA-N 0 0 332.400 3.320 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000893861159 1306102346 /nfs/dbraw/zinc/10/23/46/1306102346.db2.gz FYZJAMKZGQNWPT-BBRMVZONSA-N 0 0 334.416 3.194 10 5 EGBERN CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893862145 1306103247 /nfs/dbraw/zinc/10/32/47/1306103247.db2.gz BHBFUFVFAZOURM-SMDDNHRTSA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893862048 1306103421 /nfs/dbraw/zinc/10/34/21/1306103421.db2.gz VSUAQOQDODQPFG-MFKMUULPSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H](C(=O)NCC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000894502659 1308925913 /nfs/dbraw/zinc/92/59/13/1308925913.db2.gz DOVXLQBCSMKKMZ-YPMHNXCESA-N 0 0 338.379 3.159 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894704150 1309029239 /nfs/dbraw/zinc/02/92/39/1309029239.db2.gz NCYWJGQJGGFOEN-OHKBXWSGSA-N 0 0 330.384 3.026 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CCC3(CCC3)CO2)n1 ZINC000895958327 1309612813 /nfs/dbraw/zinc/61/28/13/1309612813.db2.gz NRWWCCGVRVJDIJ-CQSZACIVSA-N 0 0 343.383 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc(C2CSC2)no1 ZINC000896735662 1309992995 /nfs/dbraw/zinc/99/29/95/1309992995.db2.gz PMHLWODGISTWGD-UHFFFAOYSA-N 0 0 331.275 3.494 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000897314890 1310286776 /nfs/dbraw/zinc/28/67/76/1310286776.db2.gz CENOHBMSGRBUSJ-ZFWWWQNUSA-N 0 0 334.416 3.081 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000897562803 1310381084 /nfs/dbraw/zinc/38/10/84/1310381084.db2.gz RQYCZUPQTGBPOB-LSDHHAIUSA-N 0 0 332.400 3.440 10 5 EGBERN COc1cc(C(=O)NCc2cc(C)nc(Cl)c2)cc([N+](=O)[O-])c1C ZINC000898072488 1310577912 /nfs/dbraw/zinc/57/79/12/1310577912.db2.gz UCQQXCSTFXJHCV-UHFFFAOYSA-N 0 0 349.774 3.199 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)O)c1C ZINC000898991389 1310899789 /nfs/dbraw/zinc/89/97/89/1310899789.db2.gz XROUSCHMHGCNLT-CXAGYDPISA-N 0 0 328.368 3.064 10 5 EGBERN CCOc1cc(OCc2cc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC000917553567 1319834391 /nfs/dbraw/zinc/83/43/91/1319834391.db2.gz QAISMCXLNJMEBP-UHFFFAOYSA-N 0 0 345.277 3.325 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(C(F)(F)F)CCOCC1 ZINC000857571401 1328550829 /nfs/dbraw/zinc/55/08/29/1328550829.db2.gz FTPAQHRFZDLNHM-UHFFFAOYSA-N 0 0 336.241 3.032 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000857634166 1328570728 /nfs/dbraw/zinc/57/07/28/1328570728.db2.gz FIJNDWOFWHAZBC-UHFFFAOYSA-N 0 0 336.222 3.387 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000857638192 1328571739 /nfs/dbraw/zinc/57/17/39/1328571739.db2.gz QMTPSXLVRLWGKB-UHFFFAOYSA-N 0 0 336.294 3.486 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC3(CCCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000857667367 1328579939 /nfs/dbraw/zinc/57/99/39/1328579939.db2.gz UFIPZDJJKDZPQH-GFCCVEGCSA-N 0 0 336.363 3.216 10 5 EGBERN O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])OC1CCCCC1 ZINC000858434569 1328761452 /nfs/dbraw/zinc/76/14/52/1328761452.db2.gz KOBRWCYZOZUYAR-UHFFFAOYSA-N 0 0 329.356 3.431 10 5 EGBERN CC1([C@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)OCCO1 ZINC000858481538 1328775911 /nfs/dbraw/zinc/77/59/11/1328775911.db2.gz JFKQULDFWZOVSW-AWEZNQCLSA-N 0 0 343.383 3.122 10 5 EGBERN COCCC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913385406 1319020574 /nfs/dbraw/zinc/02/05/74/1319020574.db2.gz ZWUVDOPHQKJFJL-UHFFFAOYSA-N 0 0 344.770 3.210 10 5 EGBERN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386057 1319021363 /nfs/dbraw/zinc/02/13/63/1319021363.db2.gz MMTGWKVLYXJOEC-GARJFASQSA-N 0 0 326.755 3.440 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000913754203 1319116055 /nfs/dbraw/zinc/11/60/55/1319116055.db2.gz IYAFDZKMGWNRTN-OAHLLOKOSA-N 0 0 332.400 3.259 10 5 EGBERN C[C@@]1(Br)C[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000858649418 1328817353 /nfs/dbraw/zinc/81/73/53/1328817353.db2.gz VXOISVPXAKMSKX-TVQRCGJNSA-N 0 0 338.161 3.210 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000914239475 1319274955 /nfs/dbraw/zinc/27/49/55/1319274955.db2.gz FPTJHYCACCIZBB-UBHAPETDSA-N 0 0 331.294 3.153 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2cccnc2[N+](=O)[O-])C12CCC2 ZINC000858693027 1328832311 /nfs/dbraw/zinc/83/23/11/1328832311.db2.gz DAOMRVDKUAMBGW-ZDUSSCGKSA-N 0 0 348.403 3.334 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000858689668 1328832380 /nfs/dbraw/zinc/83/23/80/1328832380.db2.gz IPFXYQQKKCCGHS-VIFPVBQESA-N 0 0 341.161 3.031 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000858716491 1328836834 /nfs/dbraw/zinc/83/68/34/1328836834.db2.gz OSGNNWWFKSLXDO-SFHVURJKSA-N 0 0 346.358 3.231 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000916402085 1319648033 /nfs/dbraw/zinc/64/80/33/1319648033.db2.gz MTTDVFHYYIXCOQ-HNNXBMFYSA-N 0 0 333.727 3.466 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H]1CCC2(COC2)O1 ZINC000917611015 1319849926 /nfs/dbraw/zinc/84/99/26/1319849926.db2.gz DVICZYHHCAXWIS-QMMMGPOBSA-N 0 0 334.155 3.228 10 5 EGBERN CCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858764907 1328855993 /nfs/dbraw/zinc/85/59/93/1328855993.db2.gz WMSGWWQZZLFOBY-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000858836257 1328872021 /nfs/dbraw/zinc/87/20/21/1328872021.db2.gz YALSTSNVJSEDNX-UHFFFAOYSA-N 0 0 335.360 3.074 10 5 EGBERN C[C@H](Oc1ccccc1F)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000919075193 1322025744 /nfs/dbraw/zinc/02/57/44/1322025744.db2.gz NWKLRLYCZSPFNA-VIFPVBQESA-N 0 0 325.317 3.306 10 5 EGBERN Cc1ccc(-c2cc(C(=O)OCc3csc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000919328278 1322057570 /nfs/dbraw/zinc/05/75/70/1322057570.db2.gz AMIOXSCHYIIDLH-UHFFFAOYSA-N 0 0 333.325 3.305 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000919745957 1322102524 /nfs/dbraw/zinc/10/25/24/1322102524.db2.gz NFCOPNVBDJJZBF-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000921366038 1322301855 /nfs/dbraw/zinc/30/18/55/1322301855.db2.gz AQNVJEYPBPPZKT-CQSZACIVSA-N 0 0 348.424 3.392 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1cccc(OC(C)(C)C)c1 ZINC000922396299 1322519425 /nfs/dbraw/zinc/51/94/25/1322519425.db2.gz JAYSIPQETYAAAQ-UHFFFAOYSA-N 0 0 347.371 3.020 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000922412829 1322523516 /nfs/dbraw/zinc/52/35/16/1322523516.db2.gz QZRWVZKRWBHDKG-LDYMZIIASA-N 0 0 337.225 3.001 10 5 EGBERN C[C@@H](COC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(F)(F)F ZINC000923223050 1322714134 /nfs/dbraw/zinc/71/41/34/1322714134.db2.gz VAMGEPURTAPKOU-QMMMGPOBSA-N 0 0 349.261 3.111 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923643794 1322786756 /nfs/dbraw/zinc/78/67/56/1322786756.db2.gz MLSWXIDKBAYQBY-DQYPLSBCSA-N 0 0 347.415 3.303 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCc1cccc([N+](=O)[O-])c1 ZINC000923723706 1322797527 /nfs/dbraw/zinc/79/75/27/1322797527.db2.gz XFVNUTBUUKXUCW-NEPJUHHUSA-N 0 0 333.262 3.138 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCC1CCOCC1 ZINC000923960714 1322855668 /nfs/dbraw/zinc/85/56/68/1322855668.db2.gz DDVLWVOFDGMORR-UHFFFAOYSA-N 0 0 325.336 3.026 10 5 EGBERN CCc1nocc1COC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923961133 1322856069 /nfs/dbraw/zinc/85/60/69/1322856069.db2.gz HERYFHNEWZTTMW-UHFFFAOYSA-N 0 0 338.747 3.475 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000923983388 1322865002 /nfs/dbraw/zinc/86/50/02/1322865002.db2.gz PJPLFAXPVGHTSD-SUYBPPKGSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H]1CC=CCC1 ZINC000924240677 1322949292 /nfs/dbraw/zinc/94/92/92/1322949292.db2.gz UJYNOYZAAFNSRW-ZDUSSCGKSA-N 0 0 332.356 3.131 10 5 EGBERN CC1(O)CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859905606 1329108933 /nfs/dbraw/zinc/10/89/33/1329108933.db2.gz IMGAXAIWYJAOJL-UHFFFAOYSA-N 0 0 328.368 3.171 10 5 EGBERN O=C(NC[C@H]1CSCCS1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859958169 1329119075 /nfs/dbraw/zinc/11/90/75/1329119075.db2.gz PDAMVVYRKSUHPK-ZDUSSCGKSA-N 0 0 348.449 3.326 10 5 EGBERN CC(=O)[C@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000859999080 1329125599 /nfs/dbraw/zinc/12/55/99/1329125599.db2.gz IEQYPUWWVUMUCL-GFCCVEGCSA-N 0 0 344.161 3.128 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000931494665 1329130175 /nfs/dbraw/zinc/13/01/75/1329130175.db2.gz NSFJBOZOGKHVTP-FFLHNBHYSA-N 0 0 333.388 3.236 10 5 EGBERN C[C@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860178181 1329167372 /nfs/dbraw/zinc/16/73/72/1329167372.db2.gz HIQRYPRKDSEUHQ-SMDDNHRTSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259372 1329184185 /nfs/dbraw/zinc/18/41/85/1329184185.db2.gz DFVHOIKZBPSYDT-LOKDSWTASA-N 0 0 327.768 3.182 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235506 1325090528 /nfs/dbraw/zinc/09/05/28/1325090528.db2.gz LSJUHGYBVZPBLP-UHOFOFEASA-N 0 0 349.431 3.094 10 5 EGBERN COc1cccc2c1CN(C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000925249136 1325096584 /nfs/dbraw/zinc/09/65/84/1325096584.db2.gz VKZPVGQFMIEVCE-GFCCVEGCSA-N 0 0 341.367 3.390 10 5 EGBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000860317604 1329303968 /nfs/dbraw/zinc/30/39/68/1329303968.db2.gz BYYRAVYIODHUIQ-BDAKNGLRSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860376478 1329311167 /nfs/dbraw/zinc/31/11/67/1329311167.db2.gz DPXXVWJJZYVBOZ-JSGCOSHPSA-N 0 0 328.368 3.124 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](Cc2ccncc2)C1 ZINC000860724747 1329348400 /nfs/dbraw/zinc/34/84/00/1329348400.db2.gz WQCZRAFZTJEAFV-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860927256 1329370493 /nfs/dbraw/zinc/37/04/93/1329370493.db2.gz OYVVWCOZVOUJPV-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCCO1 ZINC000927193795 1327914465 /nfs/dbraw/zinc/91/44/65/1327914465.db2.gz HFQOXZPWXICPJU-SFHVURJKSA-N 0 0 349.431 3.474 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927275203 1327948229 /nfs/dbraw/zinc/94/82/29/1327948229.db2.gz RODMKFWIWAHUNV-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927275204 1327948678 /nfs/dbraw/zinc/94/86/78/1327948678.db2.gz RODMKFWIWAHUNV-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN CSC1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000927389311 1327999390 /nfs/dbraw/zinc/99/93/90/1327999390.db2.gz ZOVCAFVFEUIUKN-UHFFFAOYSA-N 0 0 337.445 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927431937 1328023536 /nfs/dbraw/zinc/02/35/36/1328023536.db2.gz VMUZUNDONRYOJO-CZUORRHYSA-N 0 0 333.388 3.230 10 5 EGBERN COC[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000927591726 1328073776 /nfs/dbraw/zinc/07/37/76/1328073776.db2.gz SNOLDLHBKWUEOQ-HNNXBMFYSA-N 0 0 349.431 3.187 10 5 EGBERN O=C(Oc1cc(Br)ccc1[N+](=O)[O-])C1CCC(=O)CC1 ZINC000861179737 1329394929 /nfs/dbraw/zinc/39/49/29/1329394929.db2.gz LBARSLXYFGGIGQ-UHFFFAOYSA-N 0 0 342.145 3.022 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000928211983 1328238455 /nfs/dbraw/zinc/23/84/55/1328238455.db2.gz DCFAJURZYGKRMU-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928238509 1328248829 /nfs/dbraw/zinc/24/88/29/1328248829.db2.gz BRDOGBPNEGZHGL-ZDUSSCGKSA-N 0 0 338.379 3.083 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246291 1328252963 /nfs/dbraw/zinc/25/29/63/1328252963.db2.gz GXTDMAINNJFKPA-CHWSQXEVSA-N 0 0 330.388 3.182 10 5 EGBERN C/C(=C\C(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928367549 1328290590 /nfs/dbraw/zinc/29/05/90/1328290590.db2.gz IGUWKHMCYPHYSW-GZKZCVOOSA-N 0 0 340.383 3.095 10 5 EGBERN CCO[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443706 1329418642 /nfs/dbraw/zinc/41/86/42/1329418642.db2.gz FRCRZCXNEOTLPM-UTUOFQBUSA-N 0 0 333.262 3.166 10 5 EGBERN C[C@H](CN1C(=O)N[C@H](c2cccs2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929001189 1328486944 /nfs/dbraw/zinc/48/69/44/1328486944.db2.gz GTULRUFRDVBINO-QMTHXVAHSA-N 0 0 345.380 3.053 10 5 EGBERN C[C@H](CN1C(=O)N[C@@H](CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929003069 1328487934 /nfs/dbraw/zinc/48/79/34/1328487934.db2.gz QPDUUSBEVVIREM-YPMHNXCESA-N 0 0 333.388 3.055 10 5 EGBERN COC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861936662 1329451823 /nfs/dbraw/zinc/45/18/23/1329451823.db2.gz YGQMIHCPZHIVKZ-AWEZNQCLSA-N 0 0 328.368 3.389 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862094826 1329458699 /nfs/dbraw/zinc/45/86/99/1329458699.db2.gz QAWLODNNCUUPJV-OAHLLOKOSA-N 0 0 341.367 3.314 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H]1CCO ZINC000862179269 1329464322 /nfs/dbraw/zinc/46/43/22/1329464322.db2.gz XODARBIARACJFO-ACJLOTCBSA-N 0 0 342.395 3.371 10 5 EGBERN O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000862744331 1329505924 /nfs/dbraw/zinc/50/59/24/1329505924.db2.gz DHZVUTVWFOEDRW-MRXNPFEDSA-N 0 0 329.331 3.400 10 5 EGBERN C/C(=C\C(=O)NC(C)(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000863375909 1329550534 /nfs/dbraw/zinc/55/05/34/1329550534.db2.gz IEYVFNGDCKVXJN-VAWYXSNFSA-N 0 0 348.399 3.235 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000863815636 1329583444 /nfs/dbraw/zinc/58/34/44/1329583444.db2.gz YZPMQFFERCFKIY-QAVQXKDTSA-N 0 0 333.344 3.321 10 5 EGBERN CN(C)c1ccc([S@@](C)(=O)=NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000864086047 1329597035 /nfs/dbraw/zinc/59/70/35/1329597035.db2.gz ATMKGNPSPIHXHS-HSZRJFAPSA-N 0 0 333.413 3.318 10 5 EGBERN CC(C)C(C)(C)[S@](=O)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000864476260 1329616699 /nfs/dbraw/zinc/61/66/99/1329616699.db2.gz JMSQWSNJFMSLNZ-HSZRJFAPSA-N 0 0 337.401 3.328 10 5 EGBERN CCCC[S@@](=O)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000864477310 1329616870 /nfs/dbraw/zinc/61/68/70/1329616870.db2.gz FIRTYQLMZSSOKH-JOCHJYFZSA-N 0 0 343.792 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)NC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000865274214 1329682123 /nfs/dbraw/zinc/68/21/23/1329682123.db2.gz KBQBOYONZORTQK-AWEZNQCLSA-N 0 0 335.429 3.373 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SCOC3CCOCC3)sc2c1 ZINC000865344141 1329687569 /nfs/dbraw/zinc/68/75/69/1329687569.db2.gz YBXMLECPPRIIND-UHFFFAOYSA-N 0 0 326.399 3.450 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SC[C@H]3CCc4ncnn43)sc2c1 ZINC000865343043 1329687641 /nfs/dbraw/zinc/68/76/41/1329687641.db2.gz CRZDSQFXKVVXKD-SECBINFHSA-N 0 0 333.398 3.076 10 5 EGBERN CCOC(=O)c1c(C)ccnc1CSc1ccc([N+](=O)[O-])cn1 ZINC000865361465 1329688921 /nfs/dbraw/zinc/68/89/21/1329688921.db2.gz WDNNLNHKHJIKLH-UHFFFAOYSA-N 0 0 333.369 3.162 10 5 EGBERN CCCc1nccn1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865361361 1329689017 /nfs/dbraw/zinc/68/90/17/1329689017.db2.gz SEOPOLKBPDLFJQ-UHFFFAOYSA-N 0 0 347.762 3.496 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(Cn2ccnc2C2CC2)o1 ZINC000865373460 1329689644 /nfs/dbraw/zinc/68/96/44/1329689644.db2.gz VOWCEPKHGKNVRN-UHFFFAOYSA-N 0 0 345.746 3.420 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2ccn(C3CCCC3)n2)cc1F ZINC000865625140 1329721797 /nfs/dbraw/zinc/72/17/97/1329721797.db2.gz GWOZSKOHCSSVIG-UHFFFAOYSA-N 0 0 334.351 3.150 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CC(F)(c3ccccc3F)C2)cc1F ZINC000865825346 1329742665 /nfs/dbraw/zinc/74/26/65/1329742665.db2.gz ICLIAMJERHJWFD-UHFFFAOYSA-N 0 0 338.285 3.050 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@@](O)(C(F)F)C1 ZINC000865850047 1329745503 /nfs/dbraw/zinc/74/55/03/1329745503.db2.gz RWBRFFIWSFJZGJ-NSHDSACASA-N 0 0 327.114 3.108 10 5 EGBERN CC[C@H](C[C@@H](C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000865872232 1329747634 /nfs/dbraw/zinc/74/76/34/1329747634.db2.gz JMBOXZOIBYNGDE-DGCLKSJQSA-N 0 0 335.429 3.357 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@]1(C)C[C@]1(F)Cl ZINC000865907133 1329750930 /nfs/dbraw/zinc/75/09/30/1329750930.db2.gz CFJJMBCHRKZUQF-VHSXEESVSA-N 0 0 344.696 3.464 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CC2(C1)CCCO2 ZINC000865969066 1329755565 /nfs/dbraw/zinc/75/55/65/1329755565.db2.gz NDRTYAAOYIAMKV-UHFFFAOYSA-N 0 0 338.363 3.195 10 5 EGBERN O=C(c1cc(NCC[C@@H]2CCSC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000865986125 1329756901 /nfs/dbraw/zinc/75/69/01/1329756901.db2.gz QAKLYQVZLHNESN-CYBMUJFWSA-N 0 0 349.456 3.386 10 5 EGBERN CC[C@H](NC(=O)c1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000934209026 1329955813 /nfs/dbraw/zinc/95/58/13/1329955813.db2.gz IRKXJAQCEOANPB-HNNXBMFYSA-N 0 0 328.372 3.397 10 5 EGBERN Cc1ccc(NCC[C@H](O)C(F)F)c([N+](=O)[O-])c1Br ZINC000866038633 1330057987 /nfs/dbraw/zinc/05/79/87/1330057987.db2.gz WRRHGHRMWGQRTH-QMMMGPOBSA-N 0 0 339.136 3.094 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(OC(F)F)c1 ZINC000866043083 1330058765 /nfs/dbraw/zinc/05/87/65/1330058765.db2.gz ATEQCCGFSTUIQR-LIHPDXLKSA-N 0 0 326.299 3.032 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](OC2CCC2)CC1 ZINC000866146055 1330070526 /nfs/dbraw/zinc/07/05/26/1330070526.db2.gz SSEYFYTWWMPCRL-CYBMUJFWSA-N 0 0 335.360 3.431 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H](OC3CCC3)CC2)nc2sccn21 ZINC000866148258 1330070987 /nfs/dbraw/zinc/07/09/87/1330070987.db2.gz VPNKOCHKWRGWRY-GFCCVEGCSA-N 0 0 336.417 3.232 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2CC3(CO2)CCOCC3)ccc2ncccc21 ZINC000866174687 1330073570 /nfs/dbraw/zinc/07/35/70/1330073570.db2.gz FENGIBQAUZVANN-ZDUSSCGKSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866176228 1330073880 /nfs/dbraw/zinc/07/38/80/1330073880.db2.gz COHGTKFFKPUQBR-NSHDSACASA-N 0 0 326.780 3.246 10 5 EGBERN Cc1ccc(CNc2ncc(C(=O)N(C)C)cc2Cl)cc1[N+](=O)[O-] ZINC000866181885 1330074567 /nfs/dbraw/zinc/07/45/67/1330074567.db2.gz PDAZPNPCEKRLEH-UHFFFAOYSA-N 0 0 348.790 3.266 10 5 EGBERN CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(F)F ZINC000866186439 1330075169 /nfs/dbraw/zinc/07/51/69/1330075169.db2.gz HWAOBOUGVFHYEW-UHFFFAOYSA-N 0 0 336.360 3.092 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n3c2CCCC3)cn1 ZINC000866191470 1330075823 /nfs/dbraw/zinc/07/58/23/1330075823.db2.gz GRXHAEKXABVSOE-UHFFFAOYSA-N 0 0 341.293 3.154 10 5 EGBERN COc1cc(NCc2nn(C)cc2C(F)F)c([N+](=O)[O-])cc1F ZINC000866193813 1330076005 /nfs/dbraw/zinc/07/60/05/1330076005.db2.gz QNJJTJIGSFKKBY-UHFFFAOYSA-N 0 0 330.266 3.026 10 5 EGBERN Cc1cccc(NCc2ccc(CN3CCNC3=O)cc2)c1[N+](=O)[O-] ZINC000866197105 1330077391 /nfs/dbraw/zinc/07/73/91/1330077391.db2.gz DUGIAMPFMYICNB-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN Cc1cc(N2Cc3cccnc3N3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000866253399 1330085649 /nfs/dbraw/zinc/08/56/49/1330085649.db2.gz YECNTRVDTPRICC-AWEZNQCLSA-N 0 0 342.374 3.426 10 5 EGBERN Cc1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000867343797 1330194815 /nfs/dbraw/zinc/19/48/15/1330194815.db2.gz QQCCBNCSSGBKPX-NSHDSACASA-N 0 0 346.362 3.391 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867509698 1330206983 /nfs/dbraw/zinc/20/69/83/1330206983.db2.gz RBQQFJCRMPXIAZ-ONGXEEELSA-N 0 0 348.296 3.466 10 5 EGBERN C[C@H]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867646563 1330212586 /nfs/dbraw/zinc/21/25/86/1330212586.db2.gz HNUKLRGMXJLVFE-ONGXEEELSA-N 0 0 341.205 3.205 10 5 EGBERN CC1=CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868003642 1330239531 /nfs/dbraw/zinc/23/95/31/1330239531.db2.gz BHAZDQUKDDOFMK-UHFFFAOYSA-N 0 0 339.189 3.078 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000868112106 1330250752 /nfs/dbraw/zinc/25/07/52/1330250752.db2.gz FAFNHECJSRUGFN-UHFFFAOYSA-N 0 0 348.790 3.163 10 5 EGBERN Cc1nc(C)c(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868228799 1330263330 /nfs/dbraw/zinc/26/33/30/1330263330.db2.gz LNVUKCHCXFLWHO-UHFFFAOYSA-N 0 0 348.428 3.018 10 5 EGBERN Cc1csc2nc(CC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cn12 ZINC000868608521 1330299631 /nfs/dbraw/zinc/29/96/31/1330299631.db2.gz KFSSUGNJXVPJPY-NSHDSACASA-N 0 0 344.396 3.032 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000868716333 1330322847 /nfs/dbraw/zinc/32/28/47/1330322847.db2.gz YGFLDPYSWWGTNZ-AWEZNQCLSA-N 0 0 349.456 3.236 10 5 EGBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccns1 ZINC000869492389 1330510597 /nfs/dbraw/zinc/51/05/97/1330510597.db2.gz PGNCCUAYUMYUIO-NSHDSACASA-N 0 0 331.397 3.350 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1cnn2c1CCCC2 ZINC000869590327 1330529055 /nfs/dbraw/zinc/52/90/55/1330529055.db2.gz HHTOHJPZBZOJPO-CYBMUJFWSA-N 0 0 343.383 3.283 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCSC1 ZINC000869611811 1330533240 /nfs/dbraw/zinc/53/32/40/1330533240.db2.gz HDWSWQXFFJHCHX-VXGBXAGGSA-N 0 0 340.470 3.335 10 5 EGBERN C[C@H]1CCn2cc(C(=O)OCc3ccc(Cl)cc3[N+](=O)[O-])nc2C1 ZINC000869857474 1330577810 /nfs/dbraw/zinc/57/78/10/1330577810.db2.gz LMKNXJWFUCFNGS-JTQLQIEISA-N 0 0 349.774 3.384 10 5 EGBERN CN(C(=O)CC1(C)CCCC1)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001323920769 1387496918 /nfs/dbraw/zinc/49/69/18/1387496918.db2.gz GDVRMASDTYTVQS-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(c2ccccc2)CC1 ZINC001184579589 1387497578 /nfs/dbraw/zinc/49/75/78/1387497578.db2.gz ALLDRMPFIAOCDR-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN COc1cc(NCc2ccccc2NC(C)=O)c([N+](=O)[O-])cc1OC ZINC001185544121 1387744384 /nfs/dbraw/zinc/74/43/84/1387744384.db2.gz OGVRFAUNEHEICP-UHFFFAOYSA-N 0 0 345.355 3.183 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CSCCS1)CCCC2 ZINC001185611142 1387760729 /nfs/dbraw/zinc/76/07/29/1387760729.db2.gz CGTIGKJWSWRKPZ-NSHDSACASA-N 0 0 325.459 3.129 10 5 EGBERN C[C@@H]1OCC[C@H]1Sc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186014044 1387845491 /nfs/dbraw/zinc/84/54/91/1387845491.db2.gz FJFPXHHWTWTZAX-ISVAXAHUSA-N 0 0 335.341 3.321 10 5 EGBERN Cn1cc([C@H](NCc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC001193346880 1368005181 /nfs/dbraw/zinc/00/51/81/1368005181.db2.gz ZBDRRKLKNJXGCD-GOSISDBHSA-N 0 0 340.358 3.347 10 5 EGBERN CCOC(=O)c1ccc2c(c1)N(Cc1csc([N+](=O)[O-])c1)CCO2 ZINC001193374672 1368015175 /nfs/dbraw/zinc/01/51/75/1368015175.db2.gz WBHZTCZEWDDAJZ-UHFFFAOYSA-N 0 0 348.380 3.232 10 5 EGBERN C[C@@H](O)[C@](C)(CNc1c(Cl)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC001186374370 1387930253 /nfs/dbraw/zinc/93/02/53/1387930253.db2.gz ZZPVSCCIRLRCSG-PXAZEXFGSA-N 0 0 349.818 3.107 10 5 EGBERN Cc1ccc2nc(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)cn2c1 ZINC001186397282 1387933653 /nfs/dbraw/zinc/93/36/53/1387933653.db2.gz QAYYWSYHSFNRBV-UHFFFAOYSA-N 0 0 337.383 3.437 10 5 EGBERN CNC(=O)c1ccc(NC[C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC001186540181 1387966822 /nfs/dbraw/zinc/96/68/22/1387966822.db2.gz JOLCPBMSFOAVHF-LBPRGKRZSA-N 0 0 343.408 3.256 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(F)(F)CC[C@H]1C ZINC001198641039 1369080005 /nfs/dbraw/zinc/08/00/05/1369080005.db2.gz LMQVGXWCXWBZCO-GFCCVEGCSA-N 0 0 341.358 3.351 10 5 EGBERN O=[N+]([O-])c1cnc(N2Cc3ccccc3CO2)c(C(F)(F)F)c1 ZINC001186632999 1387990265 /nfs/dbraw/zinc/99/02/65/1387990265.db2.gz LSZLYCZWEYIGOU-UHFFFAOYSA-N 0 0 325.246 3.460 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001186772431 1388007612 /nfs/dbraw/zinc/00/76/12/1388007612.db2.gz JVJNYURHQIAZHZ-QAPCUYQASA-N 0 0 341.386 3.445 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC001116134620 1370844071 /nfs/dbraw/zinc/84/40/71/1370844071.db2.gz DFVLZCTZKKARKM-LLVKDONJSA-N 0 0 331.372 3.289 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](O)C(F)(F)C(F)(F)F ZINC001187430748 1388106881 /nfs/dbraw/zinc/10/68/81/1388106881.db2.gz ODXIPUWBIBVBPF-MRVPVSSYSA-N 0 0 334.628 3.219 10 5 EGBERN Cc1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001118598046 1371204491 /nfs/dbraw/zinc/20/44/91/1371204491.db2.gz SZUZVBDKWLKJIF-UBSAEIQESA-N 0 0 346.337 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@]23C[C@H]2COC3(C)C)n1 ZINC001118603127 1371205883 /nfs/dbraw/zinc/20/58/83/1371205883.db2.gz WWIRZPJBGRNCHE-GTNSWQLSSA-N 0 0 329.356 3.328 10 5 EGBERN CC(C)(C)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001118838480 1371236613 /nfs/dbraw/zinc/23/66/13/1371236613.db2.gz WUHYNFDHFIBAOX-CQSZACIVSA-N 0 0 330.384 3.275 10 5 EGBERN COc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1OC ZINC001187694647 1388145215 /nfs/dbraw/zinc/14/52/15/1388145215.db2.gz OFOCTRJDZNLNLA-UHFFFAOYSA-N 0 0 342.355 3.409 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001187833015 1388174160 /nfs/dbraw/zinc/17/41/60/1388174160.db2.gz ROBJXFRDZQQORS-YPMHNXCESA-N 0 0 333.388 3.012 10 5 EGBERN CCc1ccc2c(c1)CCN2c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001187872413 1388181492 /nfs/dbraw/zinc/18/14/92/1388181492.db2.gz WQCONNTUJXJYAS-UHFFFAOYSA-N 0 0 341.367 3.341 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001123347271 1372436482 /nfs/dbraw/zinc/43/64/82/1372436482.db2.gz ZLHURVFHVZEEBI-WFASDCNBSA-N 0 0 332.356 3.294 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001123354498 1372439437 /nfs/dbraw/zinc/43/94/37/1372439437.db2.gz ACRBAPGFYRESHQ-VIFPVBQESA-N 0 0 342.323 3.300 10 5 EGBERN CC1(C)C[C@H](COC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001123374455 1372445918 /nfs/dbraw/zinc/44/59/18/1372445918.db2.gz BWUOWJZLFNXLJP-KCXAZCMYSA-N 0 0 333.384 3.447 10 5 EGBERN CC1(C)C[C@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001123375650 1372446266 /nfs/dbraw/zinc/44/62/66/1372446266.db2.gz MGJFSGXDPHQOBD-UHOFOFEASA-N 0 0 333.384 3.447 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001124126510 1372677782 /nfs/dbraw/zinc/67/77/82/1372677782.db2.gz AIXGKVQYIXPLSF-HZPDHXFCSA-N 0 0 342.370 3.271 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1cccc(Cl)c1Cl ZINC001124322810 1372691466 /nfs/dbraw/zinc/69/14/66/1372691466.db2.gz NRRDZPBMGIOOOO-UHFFFAOYSA-N 0 0 330.127 3.012 10 5 EGBERN COc1ccc2onc(CC(=O)OCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC001124351038 1372694056 /nfs/dbraw/zinc/69/40/56/1372694056.db2.gz YCTVMGQNUWSVBT-UHFFFAOYSA-N 0 0 342.307 3.031 10 5 EGBERN Cc1cc(C)c(OC(=O)Cc2cnn3ccccc23)c([N+](=O)[O-])c1 ZINC001124516301 1372708300 /nfs/dbraw/zinc/70/83/00/1372708300.db2.gz GEGXYVYKQDCHFW-UHFFFAOYSA-N 0 0 325.324 3.007 10 5 EGBERN Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)oc1Br ZINC001124596231 1372714914 /nfs/dbraw/zinc/71/49/14/1372714914.db2.gz CQUIDAVUMFECFO-UHFFFAOYSA-N 0 0 326.102 3.478 10 5 EGBERN O=C(COCc1cccc(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124620105 1372717095 /nfs/dbraw/zinc/71/70/95/1372717095.db2.gz WRAXZHMJYOTWEU-UHFFFAOYSA-N 0 0 346.770 3.354 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(c1)OCCO2 ZINC001124648564 1372719085 /nfs/dbraw/zinc/71/90/85/1372719085.db2.gz YPSTWBAQHKEXKS-UHFFFAOYSA-N 0 0 347.348 3.307 10 5 EGBERN O=C(Cn1nc(C(F)F)cc1C(F)F)Oc1cccc([N+](=O)[O-])c1 ZINC001124670105 1372720826 /nfs/dbraw/zinc/72/08/26/1372720826.db2.gz ARNAXWRTQWSZHK-UHFFFAOYSA-N 0 0 347.224 3.272 10 5 EGBERN CCOC(=O)N(C)CCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001124808969 1372732506 /nfs/dbraw/zinc/73/25/06/1372732506.db2.gz AXNVYWOFVCWRNQ-UHFFFAOYSA-N 0 0 337.376 3.019 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001125316157 1372769937 /nfs/dbraw/zinc/76/99/37/1372769937.db2.gz KMXIGIPVUCHHGE-HNNXBMFYSA-N 0 0 348.305 3.311 10 5 EGBERN CC(=O)N(C)c1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001125618431 1372820311 /nfs/dbraw/zinc/82/03/11/1372820311.db2.gz BZCOBIHYNYTAQX-UHFFFAOYSA-N 0 0 341.367 3.447 10 5 EGBERN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001125771532 1372854030 /nfs/dbraw/zinc/85/40/30/1372854030.db2.gz YIQONAVMSUSNHW-HNNXBMFYSA-N 0 0 327.384 3.439 10 5 EGBERN O=C(c1cccc2cc(=O)[nH]cc21)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001125848486 1372872088 /nfs/dbraw/zinc/87/20/88/1372872088.db2.gz QOWUDFHSWQXMGI-UHFFFAOYSA-N 0 0 349.346 3.442 10 5 EGBERN CC(=O)Nc1ccc(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)nc1 ZINC001126121134 1372938235 /nfs/dbraw/zinc/93/82/35/1372938235.db2.gz QZDOAHARBWQILJ-UHFFFAOYSA-N 0 0 349.730 3.129 10 5 EGBERN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001126278378 1372953888 /nfs/dbraw/zinc/95/38/88/1372953888.db2.gz ZHGMNRMOVKXDKP-IIYDPXPESA-N 0 0 345.399 3.173 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc([N+](=O)[O-])c1 ZINC001126372976 1372961213 /nfs/dbraw/zinc/96/12/13/1372961213.db2.gz NPYBSRVAJQACAH-ZSBIGDGJSA-N 0 0 332.356 3.146 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126611309 1372983092 /nfs/dbraw/zinc/98/30/92/1372983092.db2.gz IQPFEWVJWIHRBH-UHFFFAOYSA-N 0 0 346.346 3.208 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H]1CC2CCC1CC2 ZINC001326543594 1388235453 /nfs/dbraw/zinc/23/54/53/1388235453.db2.gz DSKRZZSWSVLPIR-MGULZYLOSA-N 0 0 349.362 3.001 10 5 EGBERN COc1cc(C(=O)Nc2cnc(Cl)c(C)c2)c([N+](=O)[O-])cc1F ZINC001126761060 1373015511 /nfs/dbraw/zinc/01/55/11/1373015511.db2.gz PQTFTCFFOGSRFV-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2nccs2)cc1Cl ZINC001126822990 1373036290 /nfs/dbraw/zinc/03/62/90/1373036290.db2.gz CBGCKRBOTVATAM-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN O=C(Nc1ccccc1Nc1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001127550414 1373137832 /nfs/dbraw/zinc/13/78/32/1373137832.db2.gz RHYBVEPTPAWVNX-MEBBXXQBSA-N 0 0 333.294 3.312 10 5 EGBERN CCn1c2cc(F)ccc2nc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001127586292 1373142661 /nfs/dbraw/zinc/14/26/61/1373142661.db2.gz CRGSDJUXIJXNQL-UHFFFAOYSA-N 0 0 343.318 3.059 10 5 EGBERN CC[C@H](NC(=O)c1nncc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001127590854 1373144327 /nfs/dbraw/zinc/14/43/27/1373144327.db2.gz QIUXIIWXTIXKBH-INIZCTEOSA-N 0 0 336.351 3.419 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC001127675749 1373157949 /nfs/dbraw/zinc/15/79/49/1373157949.db2.gz QAWUXVZBVVUARP-MRXNPFEDSA-N 0 0 329.331 3.318 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(C)n1 ZINC001127728715 1373169114 /nfs/dbraw/zinc/16/91/14/1373169114.db2.gz WGKQUSOIRLCSAX-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2ccc(F)cc2n1C ZINC001127832739 1373188625 /nfs/dbraw/zinc/18/86/25/1373188625.db2.gz YWWHYKQZIINJFU-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)n1 ZINC001127894260 1373197119 /nfs/dbraw/zinc/19/71/19/1373197119.db2.gz GHDFEPJKOMYYCT-LLVKDONJSA-N 0 0 337.335 3.019 10 5 EGBERN Cc1cc(NC(=O)c2cccc3c2OCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967145 1373204386 /nfs/dbraw/zinc/20/43/86/1373204386.db2.gz GINAFGVUCRJBCS-UHFFFAOYSA-N 0 0 349.346 3.061 10 5 EGBERN Cc1ncsc1CCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127962795 1373204487 /nfs/dbraw/zinc/20/44/87/1373204487.db2.gz NAXHJELZJJLGTM-UHFFFAOYSA-N 0 0 342.380 3.479 10 5 EGBERN CN(C)c1ccc(COC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001128002514 1373207806 /nfs/dbraw/zinc/20/78/06/1373207806.db2.gz JOEDGUGUNOKLBM-PBHICJAKSA-N 0 0 348.399 3.052 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC)[C@H]2C)cc1OC ZINC001128278791 1373245076 /nfs/dbraw/zinc/24/50/76/1373245076.db2.gz BRBNGIAEVSSBFB-NEPJUHHUSA-N 0 0 336.388 3.263 10 5 EGBERN CCCN(C(=O)c1cncc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001128350323 1373256343 /nfs/dbraw/zinc/25/63/43/1373256343.db2.gz XSUKTBDTIGACTE-UHFFFAOYSA-N 0 0 327.340 3.249 10 5 EGBERN Cc1c(C(=O)NCc2ccc([Si](C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC001128605736 1373297135 /nfs/dbraw/zinc/29/71/35/1373297135.db2.gz FZUAYTYLSIVGGO-UHFFFAOYSA-N 0 0 342.471 3.378 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c(C)c([N+](=O)[O-])c1 ZINC001128629997 1373299197 /nfs/dbraw/zinc/29/91/97/1373299197.db2.gz WJPRNIBCUGEHKP-CLLJXQQHSA-N 0 0 346.383 3.455 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001129493113 1373390475 /nfs/dbraw/zinc/39/04/75/1373390475.db2.gz HDSLWUXTAOPANY-KRWDZBQOSA-N 0 0 329.400 3.478 10 5 EGBERN C[C@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001129499530 1373391217 /nfs/dbraw/zinc/39/12/17/1373391217.db2.gz VAETUZAHLSPWGX-GTNSWQLSSA-N 0 0 337.395 3.499 10 5 EGBERN CN(CC(=O)NCC(C)(C)C1=CCCC1)c1ccccc1[N+](=O)[O-] ZINC001129509601 1373392828 /nfs/dbraw/zinc/39/28/28/1373392828.db2.gz AYCUCCRZYSQPRP-UHFFFAOYSA-N 0 0 331.416 3.284 10 5 EGBERN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1SC ZINC001129591519 1373400614 /nfs/dbraw/zinc/40/06/14/1373400614.db2.gz DYDOPXAFEZIEHJ-UHFFFAOYSA-N 0 0 348.380 3.343 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001129722122 1373416674 /nfs/dbraw/zinc/41/66/74/1373416674.db2.gz UKAWOBWYZNDYLP-UKRRQHHQSA-N 0 0 331.416 3.217 10 5 EGBERN COc1cc(F)cc(C[C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001129764333 1373421731 /nfs/dbraw/zinc/42/17/31/1373421731.db2.gz LVZKLSOVIMNLRO-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2 ZINC001130214818 1373475164 /nfs/dbraw/zinc/47/51/64/1373475164.db2.gz IPHQPCAMQWIYMN-UHFFFAOYSA-N 0 0 344.392 3.238 10 5 EGBERN CCc1cccc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC001130414261 1373527849 /nfs/dbraw/zinc/52/78/49/1373527849.db2.gz LCZQHDHEABRRES-UHFFFAOYSA-N 0 0 328.368 3.404 10 5 EGBERN CCNC(=O)Oc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001130487483 1373550480 /nfs/dbraw/zinc/55/04/80/1373550480.db2.gz URTCDVCHSXDNPQ-UHFFFAOYSA-N 0 0 344.323 3.231 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c([nH]c1=O)CCCC2 ZINC001130598724 1373567656 /nfs/dbraw/zinc/56/76/56/1373567656.db2.gz PTZFAUIIVXJGSP-YFHOEESVSA-N 0 0 339.351 3.226 10 5 EGBERN COc1cc(OC(=O)CSc2ccccc2[N+](=O)[O-])ccc1F ZINC001130688815 1373580086 /nfs/dbraw/zinc/58/00/86/1373580086.db2.gz BPEFDFZAWOKROJ-UHFFFAOYSA-N 0 0 337.328 3.440 10 5 EGBERN CO[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001130776171 1373590112 /nfs/dbraw/zinc/59/01/12/1373590112.db2.gz HJAKJIXRWBFOAK-HUUCEWRRSA-N 0 0 343.383 3.018 10 5 EGBERN CCCOc1cncc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001131402832 1373690154 /nfs/dbraw/zinc/69/01/54/1373690154.db2.gz UPOPNNGRJCFYME-UHFFFAOYSA-N 0 0 347.346 3.489 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cccc2nccn21 ZINC001131463161 1373703447 /nfs/dbraw/zinc/70/34/47/1373703447.db2.gz YAJYSQHMIYAPRI-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2c(c1)C[C@@H](C)O2 ZINC001131789116 1373808857 /nfs/dbraw/zinc/80/88/57/1373808857.db2.gz GCWKMPQATHOMJF-LLVKDONJSA-N 0 0 343.335 3.284 10 5 EGBERN O=C(Oc1ccc2c(c1)CCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001131890945 1375029226 /nfs/dbraw/zinc/02/92/26/1375029226.db2.gz HWGXIPIMCGONHP-HZPDHXFCSA-N 0 0 325.320 3.239 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC001132130899 1375160797 /nfs/dbraw/zinc/16/07/97/1375160797.db2.gz MYYJBYCMJYYQKB-CQSZACIVSA-N 0 0 331.759 3.369 10 5 EGBERN Cc1ccc(CNC(=O)/C=C\c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC001132418531 1375366333 /nfs/dbraw/zinc/36/63/33/1375366333.db2.gz KANLERRDBZHVDK-PLNGDYQASA-N 0 0 331.759 3.281 10 5 EGBERN CN(Cc1ccc2cc[nH]c2c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001132685729 1375514203 /nfs/dbraw/zinc/51/42/03/1375514203.db2.gz CWWZXXMEMJEPMM-UHFFFAOYSA-N 0 0 339.351 3.114 10 5 EGBERN CCC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001132957723 1375672951 /nfs/dbraw/zinc/67/29/51/1375672951.db2.gz CUYRUVXPXSNKJL-UHFFFAOYSA-N 0 0 327.340 3.220 10 5 EGBERN Cc1cc(CCNC(=O)c2cc3ccccc3c3cccnc23)nn1C ZINC001133273257 1375887870 /nfs/dbraw/zinc/88/78/70/1375887870.db2.gz WDKKIGRUBNWWEH-UHFFFAOYSA-N 0 0 344.418 3.402 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NCCC[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC001133303055 1375909729 /nfs/dbraw/zinc/90/97/29/1375909729.db2.gz IBEKHNKTGRTQPF-LBPRGKRZSA-N 0 0 333.344 3.288 10 5 EGBERN CC(C)(C(=O)Nc1ccc2c(c1)NC(=O)C2)c1ccccc1[N+](=O)[O-] ZINC001133390153 1375974317 /nfs/dbraw/zinc/97/43/17/1375974317.db2.gz FXHYTOGRSLSJOY-UHFFFAOYSA-N 0 0 339.351 3.006 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nccc2c1CCCC2 ZINC001133453329 1376016329 /nfs/dbraw/zinc/01/63/29/1376016329.db2.gz OZTAZUVSXXHQSQ-UHFFFAOYSA-N 0 0 339.395 3.415 10 5 EGBERN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)c1csc([N+](=O)[O-])c1 ZINC001133634616 1376130004 /nfs/dbraw/zinc/13/00/04/1376130004.db2.gz KRLAOMRXDCODRN-CYBMUJFWSA-N 0 0 345.380 3.250 10 5 EGBERN C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001133710840 1376168619 /nfs/dbraw/zinc/16/86/19/1376168619.db2.gz KXSQNLNQKDTIFF-KBNZMGLGSA-N 0 0 340.335 3.214 10 5 EGBERN C[C@H]1COC[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001133934430 1376271726 /nfs/dbraw/zinc/27/17/26/1376271726.db2.gz KUSKOOSPLGUNSJ-LRDDRELGSA-N 0 0 341.367 3.103 10 5 EGBERN C[C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134271669 1376448426 /nfs/dbraw/zinc/44/84/26/1376448426.db2.gz ZPNISVDCUHLJLX-OLZOCXBDSA-N 0 0 346.358 3.421 10 5 EGBERN CC1(C)CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)O1 ZINC001134582639 1376607178 /nfs/dbraw/zinc/60/71/78/1376607178.db2.gz XCISCTRXHUWQKM-HNNXBMFYSA-N 0 0 345.399 3.013 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001134785231 1376719480 /nfs/dbraw/zinc/71/94/80/1376719480.db2.gz NQPXJORRLALJLM-AQUOVQTQSA-N 0 0 339.189 3.276 10 5 EGBERN COc1cccc(OC)c1CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001135144978 1376933603 /nfs/dbraw/zinc/93/36/03/1376933603.db2.gz FYGAGTTZNUWFGF-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccon1 ZINC001135673772 1377180168 /nfs/dbraw/zinc/18/01/68/1377180168.db2.gz AVVXMTMIZOXUGX-UHFFFAOYSA-N 0 0 326.312 3.243 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001135679094 1377181397 /nfs/dbraw/zinc/18/13/97/1377181397.db2.gz KVLKBXAIXPMWSN-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN Cc1ccc(NC(=O)Cc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC001135880718 1377247853 /nfs/dbraw/zinc/24/78/53/1377247853.db2.gz MJAGEEJKRVBNDZ-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN CC(C)n1ccnc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840105 1377428969 /nfs/dbraw/zinc/42/89/69/1377428969.db2.gz DDIORBIMGRIPGB-MRXNPFEDSA-N 0 0 346.412 3.260 10 5 EGBERN CC(C)C[C@@H]1CCCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136859851 1377431563 /nfs/dbraw/zinc/43/15/63/1377431563.db2.gz FNIRZLHJRAGMBU-JTQLQIEISA-N 0 0 328.800 3.402 10 5 EGBERN C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[C@H]1c1ccccc1 ZINC001137002803 1377455092 /nfs/dbraw/zinc/45/50/92/1377455092.db2.gz UXFRVWIIYUJGON-ZYHUDNBSSA-N 0 0 348.790 3.237 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137039530 1377463764 /nfs/dbraw/zinc/46/37/64/1377463764.db2.gz ZUFJLTCYKWVDCG-NSHDSACASA-N 0 0 336.779 3.065 10 5 EGBERN Nc1c(Cl)cccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001137280220 1377509320 /nfs/dbraw/zinc/50/93/20/1377509320.db2.gz MGDVSFHMAWHHRL-UHFFFAOYSA-N 0 0 331.759 3.029 10 5 EGBERN CC(C)C(=O)NCc1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC001270054825 1377592800 /nfs/dbraw/zinc/59/28/00/1377592800.db2.gz MKBBRQLZOJCLEP-UHFFFAOYSA-N 0 0 347.440 3.218 10 5 EGBERN COc1ccc(NC(=O)Cc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC001137759976 1377611569 /nfs/dbraw/zinc/61/15/69/1377611569.db2.gz ROXBDWLEGIHVFQ-UHFFFAOYSA-N 0 0 333.369 3.119 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC001137762243 1377612765 /nfs/dbraw/zinc/61/27/65/1377612765.db2.gz UWCZEEHGQSFMQA-UHFFFAOYSA-N 0 0 346.343 3.460 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC(=O)c2ccccc21 ZINC001137870484 1377634434 /nfs/dbraw/zinc/63/44/34/1377634434.db2.gz UAHAJGPFOSBKRZ-HNNXBMFYSA-N 0 0 342.326 3.110 10 5 EGBERN C[Si](C)(C)CCCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247215 1377693661 /nfs/dbraw/zinc/69/36/61/1377693661.db2.gz GNABQZQUVPAWMX-UHFFFAOYSA-N 0 0 336.464 3.303 10 5 EGBERN CCCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n[nH]1 ZINC001141180685 1378260515 /nfs/dbraw/zinc/26/05/15/1378260515.db2.gz USVVQNNQZYYRFR-UHFFFAOYSA-N 0 0 331.376 3.343 10 5 EGBERN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503240 1378335537 /nfs/dbraw/zinc/33/55/37/1378335537.db2.gz PBTLAEFUXOIKHN-AAEUAGOBSA-N 0 0 342.399 3.035 10 5 EGBERN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141768206 1378372960 /nfs/dbraw/zinc/37/29/60/1378372960.db2.gz ZWWWZKURECIHRR-UHFFFAOYSA-N 0 0 344.352 3.454 10 5 EGBERN COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001141767322 1378373050 /nfs/dbraw/zinc/37/30/50/1378373050.db2.gz FQJWFFHJQUNERQ-GFCCVEGCSA-N 0 0 343.383 3.393 10 5 EGBERN Nc1ccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001141767599 1378373116 /nfs/dbraw/zinc/37/31/16/1378373116.db2.gz MCWUMRZQIMOAGN-KGLIPLIRSA-N 0 0 329.331 3.448 10 5 EGBERN CCCCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001141787749 1378377279 /nfs/dbraw/zinc/37/72/79/1378377279.db2.gz JGMGTTNWUCLPEC-UHFFFAOYSA-N 0 0 343.383 3.286 10 5 EGBERN CC(C)N(Cc1cccc(F)c1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142197486 1378419668 /nfs/dbraw/zinc/41/96/68/1378419668.db2.gz KZJVJARHXCDGMY-UHFFFAOYSA-N 0 0 340.742 3.161 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC001143002642 1378523068 /nfs/dbraw/zinc/52/30/68/1378523068.db2.gz AGHZPWVBPKIRBO-WMLDXEAASA-N 0 0 325.368 3.231 10 5 EGBERN Cc1ccc(C)c(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001143377394 1378589967 /nfs/dbraw/zinc/58/99/67/1378589967.db2.gz XVMFDRCJNRGXGM-UHFFFAOYSA-N 0 0 334.322 3.349 10 5 EGBERN Cc1csc(N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001144156877 1378690100 /nfs/dbraw/zinc/69/01/00/1378690100.db2.gz RHNFFKUQAGONRY-UHFFFAOYSA-N 0 0 325.777 3.219 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc2c(c1)COC2 ZINC001149908016 1379465398 /nfs/dbraw/zinc/46/53/98/1379465398.db2.gz FPUJCUDTCVGFRZ-UHFFFAOYSA-N 0 0 346.770 3.137 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC2(CCC2)C1 ZINC001150289640 1379528121 /nfs/dbraw/zinc/52/81/21/1379528121.db2.gz QIXPCUOIWXRZMY-UHFFFAOYSA-N 0 0 329.381 3.344 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001152151882 1379873190 /nfs/dbraw/zinc/87/31/90/1379873190.db2.gz UHFQJWIJCDJTKS-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN CC(C)(C)Cc1csc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n1 ZINC001152679855 1379968917 /nfs/dbraw/zinc/96/89/17/1379968917.db2.gz KDKCOOSSXNKOMC-UHFFFAOYSA-N 0 0 343.796 3.269 10 5 EGBERN CCc1ccc(C(=O)NCc2cc(O)ccc2Cl)cc1[N+](=O)[O-] ZINC001153501072 1380086013 /nfs/dbraw/zinc/08/60/13/1380086013.db2.gz BKOFZPNHXKVBQC-UHFFFAOYSA-N 0 0 334.759 3.446 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC001153700514 1380115482 /nfs/dbraw/zinc/11/54/82/1380115482.db2.gz CRBQQUCXGKGXRA-UHFFFAOYSA-N 0 0 327.340 3.249 10 5 EGBERN CC/C=C(/C)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888002 1380296707 /nfs/dbraw/zinc/29/67/07/1380296707.db2.gz BAZIAAVFUMYGCE-WCSRMQSCSA-N 0 0 343.427 3.199 10 5 EGBERN C[C@H](NC(=O)Cc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC001154944892 1380379361 /nfs/dbraw/zinc/37/93/61/1380379361.db2.gz KHKHOEFWNXBAKQ-JTQLQIEISA-N 0 0 342.380 3.019 10 5 EGBERN O=C(N[C@H](CO)CC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001155345043 1380440123 /nfs/dbraw/zinc/44/01/23/1380440123.db2.gz GGADWWRIENMPIE-INIZCTEOSA-N 0 0 346.427 3.074 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2[nH]ccc2c1C ZINC001156548990 1380592920 /nfs/dbraw/zinc/59/29/20/1380592920.db2.gz ARPHYGSFRFGZMI-UHFFFAOYSA-N 0 0 340.339 3.382 10 5 EGBERN Cc1ccc(NC(=O)c2cnc(CC(C)C)s2)c(N)c1[N+](=O)[O-] ZINC001158232180 1381168498 /nfs/dbraw/zinc/16/84/98/1381168498.db2.gz SAQHKPHIPKEJCK-UHFFFAOYSA-N 0 0 334.401 3.393 10 5 EGBERN CC1(C)C=Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2O1 ZINC001287365091 1381189410 /nfs/dbraw/zinc/18/94/10/1381189410.db2.gz YCGQJKMQRXNGPN-UHFFFAOYSA-N 0 0 325.324 3.426 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1N ZINC001158756315 1381385043 /nfs/dbraw/zinc/38/50/43/1381385043.db2.gz MRDLOEHTZKOJLD-UHFFFAOYSA-N 0 0 332.335 3.389 10 5 EGBERN Cc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC001287962358 1381450397 /nfs/dbraw/zinc/45/03/97/1381450397.db2.gz QKOZEKMGKNJRFC-UHFFFAOYSA-N 0 0 329.312 3.050 10 5 EGBERN O=C(Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001158993605 1381500492 /nfs/dbraw/zinc/50/04/92/1381500492.db2.gz RGMZYOHMTJIVLH-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001159828724 1381914540 /nfs/dbraw/zinc/91/45/40/1381914540.db2.gz IZJXDZNLKYPRRE-SJLPKXTDSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1F ZINC001288788067 1381939799 /nfs/dbraw/zinc/93/97/99/1381939799.db2.gz ODDZSSPUYMGJNP-XJKSGUPXSA-N 0 0 348.305 3.244 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N=[S@@]1(=O)CCc2ccccc21 ZINC001289029775 1381974025 /nfs/dbraw/zinc/97/40/25/1381974025.db2.gz POAAVPNYMROMRR-VFUOJUBFSA-N 0 0 342.376 3.218 10 5 EGBERN CCc1ccc(C(=O)NCC[C@@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001289356680 1381994298 /nfs/dbraw/zinc/99/42/98/1381994298.db2.gz LBQFHIKATGZKOG-HNNXBMFYSA-N 0 0 334.416 3.482 10 5 EGBERN C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001289388665 1381997486 /nfs/dbraw/zinc/99/74/86/1381997486.db2.gz IWXDMYUZKWEEAH-GFCCVEGCSA-N 0 0 343.335 3.213 10 5 EGBERN CC(C)(C)CCC1(O)CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001290586057 1382098590 /nfs/dbraw/zinc/09/85/90/1382098590.db2.gz ONYALSJDBNCMJA-UHFFFAOYSA-N 0 0 346.427 3.451 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c[nH]nc2c1 ZINC001290600290 1382100009 /nfs/dbraw/zinc/10/00/09/1382100009.db2.gz JXDDYTOUTSYVIY-UHFFFAOYSA-N 0 0 328.303 3.182 10 5 EGBERN C[C@H](CCC1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293407172 1382283445 /nfs/dbraw/zinc/28/34/45/1382283445.db2.gz FSFWZJCPVBNHBE-DYVFJYSZSA-N 0 0 334.416 3.493 10 5 EGBERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001161315170 1382368736 /nfs/dbraw/zinc/36/87/36/1382368736.db2.gz AAARTFYPWZCFOJ-JTQLQIEISA-N 0 0 349.337 3.158 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001294094489 1382416884 /nfs/dbraw/zinc/41/68/84/1382416884.db2.gz LEBAWSTUXKYWJY-MRVPVSSYSA-N 0 0 342.277 3.136 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001294581917 1382473677 /nfs/dbraw/zinc/47/36/77/1382473677.db2.gz GUJHUVBSXHOMSZ-CYBMUJFWSA-N 0 0 343.383 3.026 10 5 EGBERN CC(C)C(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC001294832542 1382514852 /nfs/dbraw/zinc/51/48/52/1382514852.db2.gz JYNYEVLQJALKSC-UHFFFAOYSA-N 0 0 345.399 3.319 10 5 EGBERN CC(C)C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC001294957397 1382525738 /nfs/dbraw/zinc/52/57/38/1382525738.db2.gz ATTGPLDMVWEOLV-OAHLLOKOSA-N 0 0 333.432 3.316 10 5 EGBERN Cc1cccc(COCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001328636996 1388794552 /nfs/dbraw/zinc/79/45/52/1388794552.db2.gz NKFBMQUCVJYHMC-UHFFFAOYSA-N 0 0 340.379 3.005 10 5 EGBERN COc1ccc([C@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])cc1F ZINC001162685900 1382833027 /nfs/dbraw/zinc/83/30/27/1382833027.db2.gz GQLMVQWZDFEESX-QMMMGPOBSA-N 0 0 325.727 3.386 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCc2c(F)cc(F)cc2C1 ZINC001162873093 1382901504 /nfs/dbraw/zinc/90/15/04/1382901504.db2.gz ASXFFRZSVHWOCT-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN COC[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001163083546 1382962160 /nfs/dbraw/zinc/96/21/60/1382962160.db2.gz ACICXDHLCQQCEF-IUCAKERBSA-N 0 0 335.187 3.142 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@H]1CCCC[C@@H]1O ZINC001163298570 1383014988 /nfs/dbraw/zinc/01/49/88/1383014988.db2.gz FSECTNYDIGTVFD-BMIGLBTASA-N 0 0 335.791 3.181 10 5 EGBERN Cc1ccc(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC001163449609 1383054477 /nfs/dbraw/zinc/05/44/77/1383054477.db2.gz DVAWSRWLCCNNAI-UHFFFAOYSA-N 0 0 349.394 3.140 10 5 EGBERN Nc1c(C(=O)NOC2CCCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001296790721 1383065228 /nfs/dbraw/zinc/06/52/28/1383065228.db2.gz JMJQQQUYTHGIES-UHFFFAOYSA-N 0 0 329.356 3.324 10 5 EGBERN Cc1cc(CNc2ccc([N+](=O)[O-])cc2Br)cc(=O)[nH]1 ZINC001163538580 1383073701 /nfs/dbraw/zinc/07/37/01/1383073701.db2.gz JWDBPAQZGXKSHL-UHFFFAOYSA-N 0 0 338.161 3.378 10 5 EGBERN CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001296871568 1383078119 /nfs/dbraw/zinc/07/81/19/1383078119.db2.gz WLUTYEFXGSTLGO-AWEZNQCLSA-N 0 0 328.372 3.152 10 5 EGBERN CCCN(CCC)c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001163648590 1383095278 /nfs/dbraw/zinc/09/52/78/1383095278.db2.gz KZNHFMHNTJVHTJ-UHFFFAOYSA-N 0 0 330.392 3.337 10 5 EGBERN COc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccc1O ZINC001297059714 1383110436 /nfs/dbraw/zinc/11/04/36/1383110436.db2.gz HXMUCSBKULJDDH-UHFFFAOYSA-N 0 0 334.303 3.019 10 5 EGBERN CC1(C)CCC[C@](O)(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001163906613 1383134730 /nfs/dbraw/zinc/13/47/30/1383134730.db2.gz MMKWMJIHXKNSKU-OAHLLOKOSA-N 0 0 327.812 3.198 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1F ZINC001164054672 1383151292 /nfs/dbraw/zinc/15/12/92/1383151292.db2.gz KTMSLQWWNPOOQL-CQSZACIVSA-N 0 0 335.310 3.336 10 5 EGBERN O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H](c2cnccn2)C1 ZINC001164212397 1383166472 /nfs/dbraw/zinc/16/64/72/1383166472.db2.gz OSKDKRAWEUMMHU-SNVBAGLBSA-N 0 0 349.188 3.141 10 5 EGBERN Nc1ncc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC001297528399 1383177538 /nfs/dbraw/zinc/17/75/38/1383177538.db2.gz PDVDIOSQQUBSSY-UHFFFAOYSA-N 0 0 334.335 3.491 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3C[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001164341175 1383178806 /nfs/dbraw/zinc/17/88/06/1383178806.db2.gz BGMFIMIRMXEOSP-PHIMTYICSA-N 0 0 328.328 3.288 10 5 EGBERN COC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2C=O)c1Cl ZINC001164557085 1383198900 /nfs/dbraw/zinc/19/89/00/1383198900.db2.gz SRGNEHNXLLOHEL-UHFFFAOYSA-N 0 0 349.726 3.426 10 5 EGBERN CC(=O)c1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC001165650550 1383319764 /nfs/dbraw/zinc/31/97/64/1383319764.db2.gz YCBUFNHQDBVHJD-UHFFFAOYSA-N 0 0 335.262 3.337 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC001298310507 1383390293 /nfs/dbraw/zinc/39/02/93/1383390293.db2.gz UEOCDMUAGVDEEC-NSHDSACASA-N 0 0 344.392 3.053 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1F ZINC001298318209 1383391382 /nfs/dbraw/zinc/39/13/82/1383391382.db2.gz NTAOBTLIBXJVIN-VIFPVBQESA-N 0 0 349.265 3.224 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC001299280768 1383498406 /nfs/dbraw/zinc/49/84/06/1383498406.db2.gz FMIDCMFGFGNDJB-GOEBONIOSA-N 0 0 332.400 3.215 10 5 EGBERN Cc1cccc(CN(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001299407551 1383527817 /nfs/dbraw/zinc/52/78/17/1383527817.db2.gz VKNUPVRYTYKOOD-UHFFFAOYSA-N 0 0 333.775 3.153 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001299862185 1383632471 /nfs/dbraw/zinc/63/24/71/1383632471.db2.gz FVXITWBDGXVPEO-UHFFFAOYSA-N 0 0 338.323 3.183 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CSc2ccccc21 ZINC001299858302 1383632906 /nfs/dbraw/zinc/63/29/06/1383632906.db2.gz BWEDVWKWMSDDCW-LBPRGKRZSA-N 0 0 329.381 3.465 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC001299948701 1383637505 /nfs/dbraw/zinc/63/75/05/1383637505.db2.gz ZDUKWCWNCJBTOK-LBPRGKRZSA-N 0 0 348.384 3.144 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2ccccc2-c2cc[nH]n2)c1[N+](=O)[O-] ZINC001300049416 1383640837 /nfs/dbraw/zinc/64/08/37/1383640837.db2.gz IFZYTVPYHLCYKR-UHFFFAOYSA-N 0 0 340.343 3.084 10 5 EGBERN CC(C)C(=O)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001300092924 1383643504 /nfs/dbraw/zinc/64/35/04/1383643504.db2.gz VBDMHEUVDLBOCE-UHFFFAOYSA-N 0 0 327.340 3.268 10 5 EGBERN COc1ccccc1[C@@H](C)N(OC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001300517561 1383669074 /nfs/dbraw/zinc/66/90/74/1383669074.db2.gz IMKCXWANQNOXAF-GFCCVEGCSA-N 0 0 330.340 3.368 10 5 EGBERN Cc1cc(=O)[nH]c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc12 ZINC001301114771 1383696970 /nfs/dbraw/zinc/69/69/70/1383696970.db2.gz BPOMVNMAZHOZMO-UHFFFAOYSA-N 0 0 329.337 3.471 10 5 EGBERN CC(=O)OCC(C)(C)CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301122475 1383697523 /nfs/dbraw/zinc/69/75/23/1383697523.db2.gz SEDAMCINAMOFLT-UHFFFAOYSA-N 0 0 348.399 3.244 10 5 EGBERN COc1cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2cc1OC ZINC001301139278 1383698449 /nfs/dbraw/zinc/69/84/49/1383698449.db2.gz AFKBFJNRGRRGAJ-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CC(C)(C(=O)NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC001328811841 1388877882 /nfs/dbraw/zinc/87/78/82/1388877882.db2.gz YHROAUBUZURTHC-UHFFFAOYSA-N 0 0 342.317 3.316 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)OC1 ZINC001303092036 1383782836 /nfs/dbraw/zinc/78/28/36/1383782836.db2.gz JDOHMOZBJRMLNN-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cncc2[nH]ccc21 ZINC001303180096 1383786655 /nfs/dbraw/zinc/78/66/55/1383786655.db2.gz DMBVPHMCPNRTNX-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1F ZINC001303406002 1383797767 /nfs/dbraw/zinc/79/77/67/1383797767.db2.gz MKDYQFPBEWCZAM-YFKPBYRVSA-N 0 0 347.133 3.255 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1cccnc1 ZINC001303456474 1383799434 /nfs/dbraw/zinc/79/94/34/1383799434.db2.gz RCTXJSKVSRXUHZ-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001304954119 1383858411 /nfs/dbraw/zinc/85/84/11/1383858411.db2.gz UIOBTPFBMMTLJF-DZGCQCFKSA-N 0 0 339.399 3.276 10 5 EGBERN CC(C)c1ccc2c(c1)CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC001305963019 1383864867 /nfs/dbraw/zinc/86/48/67/1383864867.db2.gz HUGFYKYJBXRYQB-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC001306948225 1383924944 /nfs/dbraw/zinc/92/49/44/1383924944.db2.gz GQQHBUVEDKTLQL-SECBINFHSA-N 0 0 329.194 3.361 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001306978434 1383929334 /nfs/dbraw/zinc/92/93/34/1383929334.db2.gz HRBDASXQGLOQGZ-UHFFFAOYSA-N 0 0 334.332 3.468 10 5 EGBERN C[S@@](=O)c1ccc(CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001306990225 1383930137 /nfs/dbraw/zinc/93/01/37/1383930137.db2.gz KCPDSEDKAYPGCM-XMMPIXPASA-N 0 0 341.392 3.493 10 5 EGBERN COc1cc(NC[Si](C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001307098565 1383940541 /nfs/dbraw/zinc/94/05/41/1383940541.db2.gz NFLCBUVRTPPMKE-UHFFFAOYSA-N 0 0 346.459 3.179 10 5 EGBERN COc1cc(NCc2cc(F)cnc2Cl)c([N+](=O)[O-])cc1OC ZINC001307131849 1383943143 /nfs/dbraw/zinc/94/31/43/1383943143.db2.gz MXYVHLHUPYBIJZ-UHFFFAOYSA-N 0 0 341.726 3.412 10 5 EGBERN O=C(OCc1ccccc1)N1CC(Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307139926 1383944165 /nfs/dbraw/zinc/94/41/65/1383944165.db2.gz PGNSCJORUWMYAF-UHFFFAOYSA-N 0 0 327.340 3.028 10 5 EGBERN Cc1cc(Nc2cccc(O[C@H]3CC(=O)N3)c2)c(F)cc1[N+](=O)[O-] ZINC001307139218 1383944389 /nfs/dbraw/zinc/94/43/89/1383944389.db2.gz CLDACJSSJBAJEN-INIZCTEOSA-N 0 0 331.303 3.011 10 5 EGBERN C[C@@H]1C[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[C@H](C)O1 ZINC001307144199 1383945034 /nfs/dbraw/zinc/94/50/34/1383945034.db2.gz RNPQBWGGECNUOG-VWYCJHECSA-N 0 0 335.791 3.444 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1ccc(CO)cc1 ZINC001307150110 1383945992 /nfs/dbraw/zinc/94/59/92/1383945992.db2.gz DUQWHSNHYLQXRI-UHFFFAOYSA-N 0 0 343.770 3.323 10 5 EGBERN C[C@H](O)[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001307157129 1383947657 /nfs/dbraw/zinc/94/76/57/1383947657.db2.gz MLAGZTFKEYBQME-VFZGTOFNSA-N 0 0 330.319 3.144 10 5 EGBERN CC(=O)c1ccc(N2CC(Nc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001307164968 1383948744 /nfs/dbraw/zinc/94/87/44/1383948744.db2.gz VLCSMKWCCFIZSL-UHFFFAOYSA-N 0 0 329.331 3.237 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC001307186850 1383952389 /nfs/dbraw/zinc/95/23/89/1383952389.db2.gz HSMLLJCIROXKBM-MASHWEEQSA-N 0 0 336.413 3.336 10 5 EGBERN COc1ccc(F)cc1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001307208400 1383957584 /nfs/dbraw/zinc/95/75/84/1383957584.db2.gz IRPBBMIQEKMOGP-UHFFFAOYSA-N 0 0 325.727 3.446 10 5 EGBERN Cc1cc(N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001307215490 1383958655 /nfs/dbraw/zinc/95/86/55/1383958655.db2.gz IKHBLBOZAGNAEE-CQSZACIVSA-N 0 0 335.404 3.349 10 5 EGBERN Cc1cc(N[C@@H]2CCS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307224238 1383960236 /nfs/dbraw/zinc/96/02/36/1383960236.db2.gz BTYJANUFIIUXLA-GXTWGEPZSA-N 0 0 344.440 3.478 10 5 EGBERN CCc1ccc2c(c1)CCN2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001307230626 1383961890 /nfs/dbraw/zinc/96/18/90/1383961890.db2.gz TXCOEEAAPLVRAL-UHFFFAOYSA-N 0 0 346.408 3.255 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001307230307 1383961909 /nfs/dbraw/zinc/96/19/09/1383961909.db2.gz OKRAPKIJYWUQEX-CXAGYDPISA-N 0 0 332.787 3.288 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2cc(Cl)cc(Cl)c2F)n1 ZINC001307349021 1383975404 /nfs/dbraw/zinc/97/54/04/1383975404.db2.gz JCHAXBMGHXCJOI-UHFFFAOYSA-N 0 0 335.078 3.194 10 5 EGBERN Cc1ncc(CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001307404082 1383983553 /nfs/dbraw/zinc/98/35/53/1383983553.db2.gz LNXGNAUXBJLJMS-UHFFFAOYSA-N 0 0 341.776 3.417 10 5 EGBERN CCCCOC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001307881444 1384049038 /nfs/dbraw/zinc/04/90/38/1384049038.db2.gz GUQRRHSBSBOXGA-UHFFFAOYSA-N 0 0 328.796 3.460 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)OC(C)(C)C ZINC001307926594 1384058564 /nfs/dbraw/zinc/05/85/64/1384058564.db2.gz WPJZOHVHMNUNSG-GFCCVEGCSA-N 0 0 338.404 3.156 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC001308015957 1384075400 /nfs/dbraw/zinc/07/54/00/1384075400.db2.gz BNIXGLLGFHYFBU-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN CC(C)(C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001308167981 1384104574 /nfs/dbraw/zinc/10/45/74/1384104574.db2.gz ARXOOLFKMPAWQI-HNNXBMFYSA-N 0 0 337.376 3.140 10 5 EGBERN C[C@@H](Cc1cccs1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001312621537 1384360995 /nfs/dbraw/zinc/36/09/95/1384360995.db2.gz IOPGNCBNMLQVAC-ZDUSSCGKSA-N 0 0 347.440 3.471 10 5 EGBERN CCc1ccc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001317469327 1385163070 /nfs/dbraw/zinc/16/30/70/1385163070.db2.gz LVDIUFLCAXNLGH-UHFFFAOYSA-N 0 0 341.411 3.019 10 5 EGBERN CCN(CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001317472827 1385167852 /nfs/dbraw/zinc/16/78/52/1385167852.db2.gz FDAYGRBCMYHSHC-UHFFFAOYSA-N 0 0 327.450 3.031 10 5 EGBERN COC(=O)[C@](C)(NC[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001175139792 1385201665 /nfs/dbraw/zinc/20/16/65/1385201665.db2.gz HSNMPWBFNUQFAL-PMUMKWKESA-N 0 0 334.416 3.399 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001176785213 1385696510 /nfs/dbraw/zinc/69/65/10/1385696510.db2.gz KGSHBUMMUDGITL-XJKSGUPXSA-N 0 0 340.383 3.242 10 5 EGBERN C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001177750107 1386033594 /nfs/dbraw/zinc/03/35/94/1386033594.db2.gz SUZIKTYSVYXBNB-LBPRGKRZSA-N 0 0 339.351 3.210 10 5 EGBERN C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001178521937 1386240940 /nfs/dbraw/zinc/24/09/40/1386240940.db2.gz HXGPWGTUAVQMRD-JQWIXIFHSA-N 0 0 348.790 3.380 10 5 EGBERN O=C(Nc1cnn(C2CCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001178994874 1386370839 /nfs/dbraw/zinc/37/08/39/1386370839.db2.gz LCCQOUMLZGNIHU-UHFFFAOYSA-N 0 0 325.328 3.250 10 5 EGBERN CC(C)C(C)(C)C(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001320007254 1386448333 /nfs/dbraw/zinc/44/83/33/1386448333.db2.gz LJOAQHONMIHGLV-UHFFFAOYSA-N 0 0 341.477 3.229 10 5 EGBERN Cc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001320082995 1386499981 /nfs/dbraw/zinc/49/99/81/1386499981.db2.gz RDXKBEGDGLJCJO-UHFFFAOYSA-N 0 0 342.399 3.173 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H]1c2ccccc2OC[C@H]1C ZINC001320242786 1386562321 /nfs/dbraw/zinc/56/23/21/1386562321.db2.gz SPGBDNXNTCKXPM-QLJPJBMISA-N 0 0 328.324 3.225 10 5 EGBERN O=C(NCCC1SCCS1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001329428157 1389107312 /nfs/dbraw/zinc/10/73/12/1389107312.db2.gz NWVJDZLGOSNATO-UHFFFAOYSA-N 0 0 332.834 3.174 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc3c2COCC3)cc1[N+](=O)[O-] ZINC001331053659 1389611873 /nfs/dbraw/zinc/61/18/73/1389611873.db2.gz JYFBIPRWSNMLSW-CYBMUJFWSA-N 0 0 340.379 3.467 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)CCO1 ZINC001338414770 1389679023 /nfs/dbraw/zinc/67/90/23/1389679023.db2.gz MTBPFRSKLFOAMP-NXEZZACHSA-N 0 0 346.305 3.253 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001334605231 1390561925 /nfs/dbraw/zinc/56/19/25/1390561925.db2.gz CNERUVBXOKROAY-IAGOWNOFSA-N 0 0 346.358 3.222 10 5 EGBERN COc1ccc(CC(=O)OCc2cccn2C(F)F)cc1[N+](=O)[O-] ZINC001344384478 1390788252 /nfs/dbraw/zinc/78/82/52/1390788252.db2.gz QKURKVAWONEFNR-UHFFFAOYSA-N 0 0 340.282 3.086 10 5 EGBERN CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001344773526 1390813962 /nfs/dbraw/zinc/81/39/62/1390813962.db2.gz PCNJXDBWNHMGKF-NILFDRSVSA-N 0 0 333.388 3.334 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001345304793 1390854030 /nfs/dbraw/zinc/85/40/30/1390854030.db2.gz UEIHPEVUSRAGBQ-SWLSCSKDSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(Cn2cnc3ccccc32)o1 ZINC001345715802 1390879671 /nfs/dbraw/zinc/87/96/71/1390879671.db2.gz MQCDFLNDAXEYPF-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(-c2nnc(Cc3ccccn3)o2)c1 ZINC001345960920 1390897499 /nfs/dbraw/zinc/89/74/99/1390897499.db2.gz PNZNYIBZVLHCGF-UHFFFAOYSA-N 0 0 328.353 3.353 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001346500794 1390947100 /nfs/dbraw/zinc/94/71/00/1390947100.db2.gz NVLPONPCDXZWDM-UKRRQHHQSA-N 0 0 337.351 3.299 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@H]2CCCO2)CCC1 ZINC001347632061 1391102886 /nfs/dbraw/zinc/10/28/86/1391102886.db2.gz SULPJFRATRTGOR-DOTOQJQBSA-N 0 0 346.427 3.381 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001347716625 1391114823 /nfs/dbraw/zinc/11/48/23/1391114823.db2.gz NVHUAZUOBVPDKY-CABCVRRESA-N 0 0 349.387 3.169 10 5 EGBERN COCC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccnc1 ZINC001348066002 1391168379 /nfs/dbraw/zinc/16/83/79/1391168379.db2.gz YSGMPUABYFDYBP-AWEZNQCLSA-N 0 0 349.774 3.151 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC001348224596 1391188000 /nfs/dbraw/zinc/18/80/00/1391188000.db2.gz SIKOTARLNWELSB-INIZCTEOSA-N 0 0 345.399 3.353 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349446234 1391331784 /nfs/dbraw/zinc/33/17/84/1391331784.db2.gz FOHIYXNHAWNCQS-SQWLQELKSA-N 0 0 339.351 3.109 10 5 EGBERN C[C@@H]1CC=CC[C@@H]1COC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349497742 1391335816 /nfs/dbraw/zinc/33/58/16/1391335816.db2.gz HURIRGHTEYYANS-PBFPGSCMSA-N 0 0 344.367 3.233 10 5 EGBERN Cc1cc(NC(=O)C2(C)CCC3(CC2)OCCO3)cc([N+](=O)[O-])c1 ZINC001349714699 1391357832 /nfs/dbraw/zinc/35/78/32/1391357832.db2.gz RSLIPFMGFAYMBB-UHFFFAOYSA-N 0 0 334.372 3.165 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC001349805025 1391369079 /nfs/dbraw/zinc/36/90/79/1391369079.db2.gz DWXNAFTWNAFUSR-GFCCVEGCSA-N 0 0 340.351 3.022 10 5 EGBERN Cc1cc(F)c(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC001349905307 1391383412 /nfs/dbraw/zinc/38/34/12/1391383412.db2.gz ZRBXTCYDVWNEJY-UHFFFAOYSA-N 0 0 334.322 3.383 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)c2nnc(Cc3ccccn3)o2)cc1 ZINC001349946504 1391389191 /nfs/dbraw/zinc/38/91/91/1391389191.db2.gz NTGMIKNMOWRLLN-UHFFFAOYSA-N 0 0 332.266 3.104 10 5 EGBERN COc1ccc(NC(=O)/C=C/COc2ccccc2)c([N+](=O)[O-])c1 ZINC001349950695 1391389916 /nfs/dbraw/zinc/38/99/16/1391389916.db2.gz GBINOFLOKZYBKK-VMPITWQZSA-N 0 0 328.324 3.177 10 5 EGBERN COc1cccc([C@H](OC)C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001350012453 1391398128 /nfs/dbraw/zinc/39/81/28/1391398128.db2.gz JDYIRWAMMMONSR-INIZCTEOSA-N 0 0 331.324 3.034 10 5 EGBERN O=C(NCCC1CCCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350197986 1391428619 /nfs/dbraw/zinc/42/86/19/1391428619.db2.gz DYUOKLVURMZGHM-QGZVFWFLSA-N 0 0 345.399 3.174 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1COc2ccccc2O1 ZINC001351313082 1391625153 /nfs/dbraw/zinc/62/51/53/1391625153.db2.gz UUNMMNXFOJFTSR-CYBMUJFWSA-N 0 0 328.324 3.072 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001351359459 1391631399 /nfs/dbraw/zinc/63/13/99/1391631399.db2.gz RXIRJAVFIQYQHU-ZIAGYGMSSA-N 0 0 330.315 3.103 10 5 EGBERN CCO[C@H](COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC001351442524 1391639790 /nfs/dbraw/zinc/63/97/90/1391639790.db2.gz PKJULPZKTXALBN-MRXNPFEDSA-N 0 0 334.372 3.141 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1scnc1C(F)(F)F ZINC001351450701 1391640571 /nfs/dbraw/zinc/64/05/71/1391640571.db2.gz JSCTXAWVYNFJIG-UHFFFAOYSA-N 0 0 332.259 3.427 10 5 EGBERN CCn1cc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001352646993 1391828376 /nfs/dbraw/zinc/82/83/76/1391828376.db2.gz IMAAAUTVBGWYHJ-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)ncn1 ZINC001352649250 1391829167 /nfs/dbraw/zinc/82/91/67/1391829167.db2.gz UWILOCVOQDGLJU-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnc(Br)s1 ZINC001352662274 1391829778 /nfs/dbraw/zinc/82/97/78/1391829778.db2.gz UWRZLNYSJCPVBX-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ncoc1CCC(F)(F)F ZINC001352703469 1391834459 /nfs/dbraw/zinc/83/44/59/1391834459.db2.gz LDJRROBLUMFCKM-UHFFFAOYSA-N 0 0 329.234 3.330 10 5 EGBERN C[C@H]1SCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@H]1C ZINC001353546426 1392036525 /nfs/dbraw/zinc/03/65/25/1392036525.db2.gz PSDRGHZQKSMZIK-WDEREUQCSA-N 0 0 345.424 3.296 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C1CC1 ZINC001353619407 1392052221 /nfs/dbraw/zinc/05/22/21/1392052221.db2.gz LIMYKELPHFCJPP-HUUCEWRRSA-N 0 0 331.416 3.339 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353960734 1392110049 /nfs/dbraw/zinc/11/00/49/1392110049.db2.gz ZOOBDUHTSDLTDI-CXAGYDPISA-N 0 0 345.399 3.269 10 5 EGBERN C[C@@H]1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC001354000889 1392113546 /nfs/dbraw/zinc/11/35/46/1392113546.db2.gz AVRUXNUJJSDKRQ-UHIISALHSA-N 0 0 335.356 3.348 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cnc(N(C)C)c(Cl)c1 ZINC001354089946 1392119717 /nfs/dbraw/zinc/11/97/17/1392119717.db2.gz WFRJTBQUWNTEKM-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN CCNc1ccc(C(=O)NC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC001354545942 1392152009 /nfs/dbraw/zinc/15/20/09/1392152009.db2.gz SGSKUFBAELIAON-UHFFFAOYSA-N 0 0 331.294 3.241 10 5 EGBERN CCc1occc1C(=O)NCCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC001480972432 1393058461 /nfs/dbraw/zinc/05/84/61/1393058461.db2.gz NAKUPTGASHZZGP-UHFFFAOYSA-N 0 0 345.399 3.002 10 5 EGBERN CN(CCN(C)C(=O)C1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001698984255 1406763948 /nfs/dbraw/zinc/76/39/48/1406763948.db2.gz YFOLNWWMQOUMME-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CCCC1 ZINC001698263832 1406137798 /nfs/dbraw/zinc/13/77/98/1406137798.db2.gz NJZGPKQWPRCJKY-UHFFFAOYSA-N 0 0 345.403 3.431 10 5 EGBERN CCC(CC)(CC)C(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001705471729 1417122556 /nfs/dbraw/zinc/12/25/56/1417122556.db2.gz LFUOHVIHBOHHAY-UHFFFAOYSA-N 0 0 336.436 3.067 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001709745904 1417450246 /nfs/dbraw/zinc/45/02/46/1417450246.db2.gz NZHSNVISBFJFGK-RISCZKNCSA-N 0 0 333.367 3.058 10 5 EGBERN CC(C)=CC(=O)N(C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001713776568 1418592416 /nfs/dbraw/zinc/59/24/16/1418592416.db2.gz JROPJDOYELRKEX-UHFFFAOYSA-N 0 0 337.445 3.045 10 5 EGBERN CCC(CC)(CC)C(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716751147 1420902504 /nfs/dbraw/zinc/90/25/04/1420902504.db2.gz ZNLLKKLYMGHKPR-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN CCN(CCNC(=O)CC1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731798006 1427956251 /nfs/dbraw/zinc/95/62/51/1427956251.db2.gz KULBKIBFDYNPMV-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN Cc1nc2sc3c(c2c(-n2ccc([N+](=O)[O-])n2)n1)CC[C@H](C)C3 ZINC000195217010 282132935 /nfs/dbraw/zinc/13/29/35/282132935.db2.gz CWXVWGWZTCZWOT-QMMMGPOBSA-N 0 0 329.385 3.218 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115144361 282167873 /nfs/dbraw/zinc/16/78/73/282167873.db2.gz COQMGRQSBOIEHM-IUODEOHRSA-N 0 0 325.368 3.316 10 5 EGBERN CCC(CC)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000367181283 282173541 /nfs/dbraw/zinc/17/35/41/282173541.db2.gz XUDXOKQPNOURKM-BZUAXINKSA-N 0 0 331.416 3.141 10 5 EGBERN CCc1nc([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000370932699 168552328 /nfs/dbraw/zinc/55/23/28/168552328.db2.gz BJCRGZDJWNTOQS-CQSZACIVSA-N 0 0 344.371 3.216 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000103326482 219291601 /nfs/dbraw/zinc/29/16/01/219291601.db2.gz SNGDOBDBSGSZQL-HUUCEWRRSA-N 0 0 347.415 3.173 10 5 EGBERN Cc1csc([C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000184714056 235474202 /nfs/dbraw/zinc/47/42/02/235474202.db2.gz MWABEYIYLLSOPC-SECBINFHSA-N 0 0 344.396 3.375 10 5 EGBERN Cn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000131917078 223283556 /nfs/dbraw/zinc/28/35/56/223283556.db2.gz GBIIOWAADDGDSM-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C(C)(C)C)c1 ZINC000052713946 202648657 /nfs/dbraw/zinc/64/86/57/202648657.db2.gz LDJVIMZXTFRXHT-UHFFFAOYSA-N 0 0 330.388 3.209 10 5 EGBERN CCCCc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000002635660 201538548 /nfs/dbraw/zinc/53/85/48/201538548.db2.gz KGLNASKNHFWOEY-UHFFFAOYSA-N 0 0 346.339 3.326 10 5 EGBERN Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000004892382 201624983 /nfs/dbraw/zinc/62/49/83/201624983.db2.gz ZEJRZPKUZIGELG-UHFFFAOYSA-N 0 0 339.710 3.108 10 5 EGBERN C[C@H]1CCN(c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000241590552 242997605 /nfs/dbraw/zinc/99/76/05/242997605.db2.gz PFXBRGHAWPQYIE-ZDUSSCGKSA-N 0 0 340.383 3.113 10 5 EGBERN COc1ccc(C)cc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000006249614 201676389 /nfs/dbraw/zinc/67/63/89/201676389.db2.gz WIPIHEHBMUFMIT-UHFFFAOYSA-N 0 0 329.356 3.230 10 5 EGBERN Cc1cc(Cn2c3ccc([N+](=O)[O-])cc3oc2=O)c2ccccc2n1 ZINC000071910340 203146926 /nfs/dbraw/zinc/14/69/26/203146926.db2.gz OPNLPZGZKXAZAX-UHFFFAOYSA-N 0 0 335.319 3.408 10 5 EGBERN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000071893151 203138690 /nfs/dbraw/zinc/13/86/90/203138690.db2.gz CLMNPTSXJNUHFB-LLVKDONJSA-N 0 0 345.424 3.350 10 5 EGBERN CCOC(=O)C=C(Nc1ccccc1N)c1ccc([N+](=O)[O-])cc1 ZINC000072236439 203184579 /nfs/dbraw/zinc/18/45/79/203184579.db2.gz HQKGBZXERYEEJZ-LFIBNONCSA-N 0 0 327.340 3.193 10 5 EGBERN O=[N+]([O-])c1cccc(Nc2nc3ccccc3c(NCCCO)n2)c1 ZINC000072260966 203185316 /nfs/dbraw/zinc/18/53/16/203185316.db2.gz LVEIPJFDSOWJIK-UHFFFAOYSA-N 0 0 339.355 3.076 10 5 EGBERN C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266902901 296142713 /nfs/dbraw/zinc/14/27/13/296142713.db2.gz UMJHEDIWIGPDMB-CXAGYDPISA-N 0 0 327.384 3.075 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000094017165 203708825 /nfs/dbraw/zinc/70/88/25/203708825.db2.gz UEILUZKBNWVFCH-GJZGRUSLSA-N 0 0 332.400 3.304 10 5 EGBERN NC(=O)c1cncc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000097096777 203918992 /nfs/dbraw/zinc/91/89/92/203918992.db2.gz ADNNIDCCANBGBB-UHFFFAOYSA-N 0 0 328.111 3.188 10 5 EGBERN CCCOc1cc(-n2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000104243179 204101891 /nfs/dbraw/zinc/10/18/91/204101891.db2.gz SIDASPZFBRNKJO-UHFFFAOYSA-N 0 0 326.150 3.332 10 5 EGBERN COCc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000107498348 204239050 /nfs/dbraw/zinc/23/90/50/204239050.db2.gz ZZBVKHJDDFXPGI-UHFFFAOYSA-N 0 0 338.360 3.180 10 5 EGBERN Cc1nn(C)c(Cl)c1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000109369705 204283958 /nfs/dbraw/zinc/28/39/58/204283958.db2.gz FKJJYXPPWKXUAD-UHFFFAOYSA-N 0 0 329.765 3.017 10 5 EGBERN CC1(C)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116749619 204538377 /nfs/dbraw/zinc/53/83/77/204538377.db2.gz BXXSXGDIBDAPPP-UHFFFAOYSA-N 0 0 326.780 3.418 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cn1 ZINC000123664142 204928820 /nfs/dbraw/zinc/92/88/20/204928820.db2.gz OVNSXAAGJRFGCP-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN C[C@H]1C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132040458 205311275 /nfs/dbraw/zinc/31/12/75/205311275.db2.gz DSEJAICBHXPORU-YLWLKBPMSA-N 0 0 333.569 3.149 10 5 EGBERN Cc1nc(N2CCCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000376234377 168883498 /nfs/dbraw/zinc/88/34/98/168883498.db2.gz DGIFZJDKNCAUEP-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN Cn1nccc1C1=CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000376260193 168887173 /nfs/dbraw/zinc/88/71/73/168887173.db2.gz LBOGEEKIJFKWRO-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160942762 206319060 /nfs/dbraw/zinc/31/90/60/206319060.db2.gz BFTIAKXZBLCZGM-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN CCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008267442 206448510 /nfs/dbraw/zinc/44/85/10/206448510.db2.gz GVXJHYQUTFLSDQ-UHFFFAOYSA-N 0 0 328.324 3.205 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3F)C2)c1 ZINC000378607312 169145824 /nfs/dbraw/zinc/14/58/24/169145824.db2.gz KOPZIRIYFVBRCL-UHFFFAOYSA-N 0 0 342.326 3.282 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000408198926 169165121 /nfs/dbraw/zinc/16/51/21/169165121.db2.gz PDRDLBDGTNBVNF-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000408259181 169167972 /nfs/dbraw/zinc/16/79/72/169167972.db2.gz HTWGFAYZRBBEKG-INIZCTEOSA-N 0 0 331.416 3.230 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000173447070 206928792 /nfs/dbraw/zinc/92/87/92/206928792.db2.gz PMVVZPHWXIJMNX-CQSZACIVSA-N 0 0 344.371 3.387 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1Cn1ccnc1 ZINC000267386460 251008206 /nfs/dbraw/zinc/00/82/06/251008206.db2.gz MLUCGWJMEDQYET-LBPRGKRZSA-N 0 0 340.305 3.479 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000175325693 207115652 /nfs/dbraw/zinc/11/56/52/207115652.db2.gz PSDCGANQKCEBNG-QGZVFWFLSA-N 0 0 327.384 3.468 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707867 207251594 /nfs/dbraw/zinc/25/15/94/207251594.db2.gz ZWLSXWMRJNPVNP-DLBZAZTESA-N 0 0 343.383 3.079 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2ccco2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000268845091 252292743 /nfs/dbraw/zinc/29/27/43/252292743.db2.gz NRAOQHMCAJIAMG-ZDUSSCGKSA-N 0 0 337.763 3.422 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3c(Br)cccc3C2)cn1 ZINC000344421025 285131429 /nfs/dbraw/zinc/13/14/29/285131429.db2.gz AKPHTDSOQBPQDN-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000114451539 220687566 /nfs/dbraw/zinc/68/75/66/220687566.db2.gz YDNKJGUJZFTTRD-SFHVURJKSA-N 0 0 329.400 3.281 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@]2(CC=CCC2)C1 ZINC000114451542 220688213 /nfs/dbraw/zinc/68/82/13/220688213.db2.gz YDNKJGUJZFTTRD-GOSISDBHSA-N 0 0 329.400 3.281 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)CC1CCCC1 ZINC000337872351 141069118 /nfs/dbraw/zinc/06/91/18/141069118.db2.gz RYRJPNSFLVFTID-LLVKDONJSA-N 0 0 341.795 3.311 10 5 EGBERN COc1ccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338046866 141081066 /nfs/dbraw/zinc/08/10/66/141081066.db2.gz MCKMFNYZVAGKLF-UHFFFAOYSA-N 0 0 344.367 3.111 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338083434 141090527 /nfs/dbraw/zinc/09/05/27/141090527.db2.gz CUGMYMSXJYZSPZ-OAHLLOKOSA-N 0 0 330.315 3.160 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000341260950 141145664 /nfs/dbraw/zinc/14/56/64/141145664.db2.gz NGVHWUZVXSAOED-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000348018521 141232611 /nfs/dbraw/zinc/23/26/11/141232611.db2.gz IKWSQZGEZINQGU-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(C(F)(F)F)CC1 ZINC000356269222 141332469 /nfs/dbraw/zinc/33/24/69/141332469.db2.gz DHOXNIRACGBFLS-UHFFFAOYSA-N 0 0 341.289 3.008 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000106600571 143936780 /nfs/dbraw/zinc/93/67/80/143936780.db2.gz IVRJPBDSDLSULY-CABCVRRESA-N 0 0 342.351 3.354 10 5 EGBERN COc1cccc([C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCO2)c1 ZINC000167602670 143993435 /nfs/dbraw/zinc/99/34/35/143993435.db2.gz YQIZWDVWABRNON-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172443110 144021236 /nfs/dbraw/zinc/02/12/36/144021236.db2.gz HLEFTHNGCXONJQ-HIFRSBDPSA-N 0 0 347.758 3.028 10 5 EGBERN CCc1cnc(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)s1 ZINC000172782623 144028207 /nfs/dbraw/zinc/02/82/07/144028207.db2.gz YUAPHAXXCNTVFF-UHFFFAOYSA-N 0 0 346.412 3.153 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172959668 144031825 /nfs/dbraw/zinc/03/18/25/144031825.db2.gz BTBUIRNUDYZXKK-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)COCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000172971408 144032366 /nfs/dbraw/zinc/03/23/66/144032366.db2.gz MQZYDYCBVSILFW-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000173663798 144046042 /nfs/dbraw/zinc/04/60/42/144046042.db2.gz UFFOEQGFVQWVTD-JTQLQIEISA-N 0 0 349.774 3.149 10 5 EGBERN COc1cccc(N[C@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000185116675 144105476 /nfs/dbraw/zinc/10/54/76/144105476.db2.gz ANYNIDJAJWIKSX-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185245926 144108248 /nfs/dbraw/zinc/10/82/48/144108248.db2.gz KPEQAEDSHYISBB-BPQIPLTHSA-N 0 0 346.427 3.334 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000185243910 144108542 /nfs/dbraw/zinc/10/85/42/144108542.db2.gz BMYMXJFQWNVOIJ-BZNIZROVSA-N 0 0 346.362 3.314 10 5 EGBERN Nc1c(C(=O)N2Cc3ccccc3C3(CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000187296773 144156767 /nfs/dbraw/zinc/15/67/67/144156767.db2.gz RLVXVNXMTCADQR-UHFFFAOYSA-N 0 0 341.342 3.004 10 5 EGBERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000187314282 144156842 /nfs/dbraw/zinc/15/68/42/144156842.db2.gz LXEHXALEVZZZTF-SJORKVTESA-N 0 0 345.399 3.400 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1c1nccs1 ZINC000192524323 144175597 /nfs/dbraw/zinc/17/55/97/144175597.db2.gz UOPOLHXMIBGPMA-CYBMUJFWSA-N 0 0 346.412 3.276 10 5 EGBERN COc1cccc2c1CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000192585169 144177187 /nfs/dbraw/zinc/17/71/87/144177187.db2.gz LUEXXKQOVHRDOZ-UHFFFAOYSA-N 0 0 341.367 3.236 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C(F)(F)C2CCOCC2)n1 ZINC000345523725 144248135 /nfs/dbraw/zinc/24/81/35/144248135.db2.gz BJGKYLMLIOCIKL-UHFFFAOYSA-N 0 0 339.298 3.087 10 5 EGBERN COc1cccc(C(=O)COc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC000351695060 144291224 /nfs/dbraw/zinc/29/12/24/144291224.db2.gz MARHFWMISIDZTJ-UHFFFAOYSA-N 0 0 338.319 3.413 10 5 EGBERN Cc1ccc(N2CCCN(Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000266962286 292130232 /nfs/dbraw/zinc/13/02/32/292130232.db2.gz IFVLKUDZUQVBPJ-UHFFFAOYSA-N 0 0 332.429 3.072 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)c2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000340252102 286248500 /nfs/dbraw/zinc/24/85/00/286248500.db2.gz FUXFHSKLZHGBMU-CHWSQXEVSA-N 0 0 347.419 3.058 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000341480989 155315813 /nfs/dbraw/zinc/31/58/13/155315813.db2.gz DXIDNNAKAOBYNH-MLGOLLRUSA-N 0 0 332.306 3.088 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1C[C@H]1c1ccccc1 ZINC000341480987 155316583 /nfs/dbraw/zinc/31/65/83/155316583.db2.gz DXIDNNAKAOBYNH-BLLLJJGKSA-N 0 0 332.306 3.088 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000115589089 152020573 /nfs/dbraw/zinc/02/05/73/152020573.db2.gz UOAIZFHTPSHTNQ-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116288648 152055579 /nfs/dbraw/zinc/05/55/79/152055579.db2.gz NCJKQBPBKOXLDC-OAHLLOKOSA-N 0 0 329.356 3.272 10 5 EGBERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000117619160 152108010 /nfs/dbraw/zinc/10/80/10/152108010.db2.gz HESIWKHNQDXQGO-PRXAMGSTSA-N 0 0 326.352 3.337 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000118684420 152146853 /nfs/dbraw/zinc/14/68/53/152146853.db2.gz GUZGMQWISBNQKD-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1csc(Br)c1 ZINC000121798490 152372374 /nfs/dbraw/zinc/37/23/74/152372374.db2.gz KLDAMJIDRLVEKX-UHFFFAOYSA-N 0 0 349.593 3.282 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000152705545 152507190 /nfs/dbraw/zinc/50/71/90/152507190.db2.gz LAYTYKFAOPPBFL-LSDHHAIUSA-N 0 0 340.335 3.108 10 5 EGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000154059962 152569559 /nfs/dbraw/zinc/56/95/59/152569559.db2.gz FOXLMIZXPDDXFN-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000172763621 152810764 /nfs/dbraw/zinc/81/07/64/152810764.db2.gz JAYFFWHLTNYWON-CYBMUJFWSA-N 0 0 327.384 3.276 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Nc2ccccc2F)CC1 ZINC000174078660 152837719 /nfs/dbraw/zinc/83/77/19/152837719.db2.gz IQLMXFYUFSABJU-UHFFFAOYSA-N 0 0 333.319 3.044 10 5 EGBERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000189468579 153073320 /nfs/dbraw/zinc/07/33/20/153073320.db2.gz QEDBGWZVUIKTBO-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C3CC3)cc2)s1 ZINC000190458593 153142810 /nfs/dbraw/zinc/14/28/10/153142810.db2.gz AADJXJJSIFCGIN-UHFFFAOYSA-N 0 0 338.410 3.012 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000190455214 153143544 /nfs/dbraw/zinc/14/35/44/153143544.db2.gz HQZSMMWPRNGHRC-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341608203 155380432 /nfs/dbraw/zinc/38/04/32/155380432.db2.gz QBXBIKWGKNPQNM-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CSCc3ncccn3)co2)cc1 ZINC000190991553 153170481 /nfs/dbraw/zinc/17/04/81/153170481.db2.gz IXJCMJXEYBYQRX-UHFFFAOYSA-N 0 0 328.353 3.473 10 5 EGBERN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ncccc1C ZINC000341615911 155384199 /nfs/dbraw/zinc/38/41/99/155384199.db2.gz PHBOSMVQFQUXAY-UHFFFAOYSA-N 0 0 329.356 3.120 10 5 EGBERN Cc1cnc([C@H](C)Nc2c(Br)cncc2[N+](=O)[O-])o1 ZINC000235519825 153450048 /nfs/dbraw/zinc/45/00/48/153450048.db2.gz WUKFEUAUPYXUHP-ZETCQYMHSA-N 0 0 327.138 3.222 10 5 EGBERN O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000336904230 154235665 /nfs/dbraw/zinc/23/56/65/154235665.db2.gz SLUYZFQCUYCKBE-MRXNPFEDSA-N 0 0 336.351 3.005 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000337328197 154285965 /nfs/dbraw/zinc/28/59/65/154285965.db2.gz QZEFFMVNEKFXSK-QGZVFWFLSA-N 0 0 349.337 3.092 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C ZINC000337925272 154567828 /nfs/dbraw/zinc/56/78/28/154567828.db2.gz KRLZPOQGWXPAGZ-UHFFFAOYSA-N 0 0 343.412 3.012 10 5 EGBERN COC(=O)c1cc(C)nc(N(Cc2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000339974267 155057035 /nfs/dbraw/zinc/05/70/35/155057035.db2.gz VMFLPNUCACMRII-UHFFFAOYSA-N 0 0 347.396 3.315 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000341012279 155123880 /nfs/dbraw/zinc/12/38/80/155123880.db2.gz FDRMUAQAHHZREG-LBPRGKRZSA-N 0 0 331.372 3.317 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000341798767 155484628 /nfs/dbraw/zinc/48/46/28/155484628.db2.gz CZPIMFZTJMIQFG-NWDGAFQWSA-N 0 0 329.356 3.422 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000345165365 155966144 /nfs/dbraw/zinc/96/61/44/155966144.db2.gz SCVFWIFLOFUOPR-CYBMUJFWSA-N 0 0 345.399 3.355 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345458933 156117410 /nfs/dbraw/zinc/11/74/10/156117410.db2.gz GMUROTZTBUGFGM-GFCCVEGCSA-N 0 0 341.367 3.277 10 5 EGBERN CO[C@@H](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346934606 156203232 /nfs/dbraw/zinc/20/32/32/156203232.db2.gz NPJHIDSNIPHMNQ-ZDUSSCGKSA-N 0 0 348.321 3.415 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000359972571 156860701 /nfs/dbraw/zinc/86/07/01/156860701.db2.gz YXPONZDOANCCRR-HNNXBMFYSA-N 0 0 348.742 3.199 10 5 EGBERN Cc1oc2ccccc2c1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000362001623 156977829 /nfs/dbraw/zinc/97/78/29/156977829.db2.gz JAZLIYBNIGQPIO-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC12CCC2 ZINC000365622766 157194581 /nfs/dbraw/zinc/19/45/81/157194581.db2.gz KCNZNQGDCZMYMZ-UHFFFAOYSA-N 0 0 327.340 3.007 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000372783678 157384280 /nfs/dbraw/zinc/38/42/80/157384280.db2.gz MWHZWDLHKZQZBE-LBPRGKRZSA-N 0 0 335.795 3.390 10 5 EGBERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111052320 162141779 /nfs/dbraw/zinc/14/17/79/162141779.db2.gz ABYSPACUZUHAHL-OCCSQVGLSA-N 0 0 336.351 3.005 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000337254199 163181989 /nfs/dbraw/zinc/18/19/89/163181989.db2.gz PWZMYZYIRLBKFV-TVQRCGJNSA-N 0 0 330.306 3.484 10 5 EGBERN C[C@H](NC(=O)NC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000338666479 163311743 /nfs/dbraw/zinc/31/17/43/163311743.db2.gz BAHHKKOCQNWYIO-ZDUSSCGKSA-N 0 0 335.404 3.040 10 5 EGBERN CCc1noc(C)c1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000338727940 163333379 /nfs/dbraw/zinc/33/33/79/163333379.db2.gz GXIQVKBZMDVMBT-UHFFFAOYSA-N 0 0 346.387 3.204 10 5 EGBERN Cc1nn(C)c(C)c1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000338906010 163381319 /nfs/dbraw/zinc/38/13/19/163381319.db2.gz UTSISIIQYAEEKU-UHFFFAOYSA-N 0 0 325.166 3.451 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000340153686 163491700 /nfs/dbraw/zinc/49/17/00/163491700.db2.gz AYYMTTPDGJUELO-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341839296 163722646 /nfs/dbraw/zinc/72/26/46/163722646.db2.gz FYHKCROCTOJQLA-OCCSQVGLSA-N 0 0 327.340 3.053 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341839294 163722722 /nfs/dbraw/zinc/72/27/22/163722722.db2.gz FYHKCROCTOJQLA-GXTWGEPZSA-N 0 0 327.340 3.053 10 5 EGBERN Cc1c(Cl)cc(F)c(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1F ZINC000342043860 163770755 /nfs/dbraw/zinc/77/07/55/163770755.db2.gz FFJWQGGSERCXPJ-UHFFFAOYSA-N 0 0 344.705 3.060 10 5 EGBERN COc1cc(NCCCc2nc(C(C)C)no2)c([N+](=O)[O-])cc1F ZINC000343836085 164047238 /nfs/dbraw/zinc/04/72/38/164047238.db2.gz UICFIZNTZICUCF-UHFFFAOYSA-N 0 0 338.339 3.294 10 5 EGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])nc2)cc1OC(F)F ZINC000344428769 164176758 /nfs/dbraw/zinc/17/67/58/164176758.db2.gz HKHHYVFYXWSISD-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN O=C(NCCC1(F)CCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000345706628 164249183 /nfs/dbraw/zinc/24/91/83/164249183.db2.gz GALNWJUMXMTFGC-UHFFFAOYSA-N 0 0 345.168 3.369 10 5 EGBERN CC(C)(NC(=O)c1cccc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC000345809009 164269704 /nfs/dbraw/zinc/26/97/04/164269704.db2.gz RLRLOZKZUPBJLE-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN COc1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1[N+](=O)[O-] ZINC000354839777 166045556 /nfs/dbraw/zinc/04/55/56/166045556.db2.gz QUAFDYKHUUZJLH-UHFFFAOYSA-N 0 0 331.353 3.076 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346354871 164373960 /nfs/dbraw/zinc/37/39/60/164373960.db2.gz UXXUFBPITKVNQX-HNNXBMFYSA-N 0 0 329.356 3.081 10 5 EGBERN Cc1nc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2o1 ZINC000348318709 164707685 /nfs/dbraw/zinc/70/76/85/164707685.db2.gz JHOPWYVZBHMCRV-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000348807061 164819562 /nfs/dbraw/zinc/81/95/62/164819562.db2.gz UIHAPPOZLFQNOQ-OCCSQVGLSA-N 0 0 325.368 3.371 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351958779 165167732 /nfs/dbraw/zinc/16/77/32/165167732.db2.gz XQMQCEIRQXLOGJ-WRWORJQWSA-N 0 0 328.166 3.277 10 5 EGBERN Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000352134160 165252319 /nfs/dbraw/zinc/25/23/19/165252319.db2.gz NNJJOTSWYRVJEE-UHFFFAOYSA-N 0 0 346.817 3.097 10 5 EGBERN COc1ccc(NC(C)=O)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352278118 165323236 /nfs/dbraw/zinc/32/32/36/165323236.db2.gz JGSGCKLBXNUHCH-UHFFFAOYSA-N 0 0 345.355 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000355163916 166121450 /nfs/dbraw/zinc/12/14/50/166121450.db2.gz MYSFPEARWVOFJY-SGTLLEGYSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1ccc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355186678 166126231 /nfs/dbraw/zinc/12/62/31/166126231.db2.gz WLUFURBOYSXBBW-SGTLLEGYSA-N 0 0 334.416 3.210 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000355362721 166174915 /nfs/dbraw/zinc/17/49/15/166174915.db2.gz BHNHYUBYCUELBE-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355938681 166353835 /nfs/dbraw/zinc/35/38/35/166353835.db2.gz WEXISOYDOXBGNM-WOPDTQHZSA-N 0 0 336.388 3.119 10 5 EGBERN Cc1sc(-c2nc(Cn3cnc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000357486491 166692732 /nfs/dbraw/zinc/69/27/32/166692732.db2.gz OIJJJZIYYASRAR-UHFFFAOYSA-N 0 0 341.352 3.413 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490060 166693623 /nfs/dbraw/zinc/69/36/23/166693623.db2.gz UTZHMSXECGSGBI-ZJUUUORDSA-N 0 0 339.298 3.400 10 5 EGBERN O=[N+]([O-])c1cccnc1NCc1cc(Cl)ccc1N1CCOCC1 ZINC000358479121 166875695 /nfs/dbraw/zinc/87/56/95/166875695.db2.gz CZEJZOQVWWYJJJ-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN O=C(NCC1(C2CC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358994974 167032124 /nfs/dbraw/zinc/03/21/24/167032124.db2.gz FUOLWGOOCQCGHK-UHFFFAOYSA-N 0 0 326.299 3.116 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000359051092 167050585 /nfs/dbraw/zinc/05/05/85/167050585.db2.gz MLURWOWRBGQNHF-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CC(=O)N(C)C)c2ccccc2)n1 ZINC000359083265 167062668 /nfs/dbraw/zinc/06/26/68/167062668.db2.gz NRWQQFWMHRARJY-OAHLLOKOSA-N 0 0 342.399 3.238 10 5 EGBERN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000359097030 167065958 /nfs/dbraw/zinc/06/59/58/167065958.db2.gz LSUDFUAITLPRFN-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN CCOc1ccc(-c2nc(C3(OC)CCCC3)no2)cc1[N+](=O)[O-] ZINC000359121896 167073053 /nfs/dbraw/zinc/07/30/53/167073053.db2.gz OCFFSFKPBRVKJC-UHFFFAOYSA-N 0 0 333.344 3.459 10 5 EGBERN CC[C@H](CSC)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359127118 167075022 /nfs/dbraw/zinc/07/50/22/167075022.db2.gz PVWDLNVKSDFBGS-SNVBAGLBSA-N 0 0 348.371 3.410 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359167282 167086818 /nfs/dbraw/zinc/08/68/18/167086818.db2.gz YXQCQQBTFBPZFB-RDTXWAMCSA-N 0 0 332.400 3.402 10 5 EGBERN CC[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCS1 ZINC000359356491 167135422 /nfs/dbraw/zinc/13/54/22/167135422.db2.gz BIAFSWBAENGNOB-SNVBAGLBSA-N 0 0 346.355 3.164 10 5 EGBERN COC(=O)c1cc(NCCc2cccc(C)n2)cc(C)c1[N+](=O)[O-] ZINC000359840138 167245499 /nfs/dbraw/zinc/24/54/99/167245499.db2.gz CMASIGLAOQCMHW-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN Cc1cc(NCCc2cnn(C)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359871185 167254547 /nfs/dbraw/zinc/25/45/47/167254547.db2.gz FXBPFOWWELZERQ-UHFFFAOYSA-N 0 0 328.294 3.310 10 5 EGBERN CNC(=O)c1cc(Cl)ccc1NCc1csc([N+](=O)[O-])c1 ZINC000360358458 167311038 /nfs/dbraw/zinc/31/10/38/167311038.db2.gz DXOUDXDYUKMPSM-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN Cc1c(CNC(=O)c2c[nH]c3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000360527849 167350559 /nfs/dbraw/zinc/35/05/59/167350559.db2.gz KGHGLWNZSBOJAD-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN CCOC(=O)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000360662044 167381946 /nfs/dbraw/zinc/38/19/46/167381946.db2.gz DKIAVZJDNKCDFT-HNNXBMFYSA-N 0 0 343.383 3.132 10 5 EGBERN Cn1cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000360692243 167389747 /nfs/dbraw/zinc/38/97/47/167389747.db2.gz VFOICNILROWRFI-CQSZACIVSA-N 0 0 331.376 3.237 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000360876236 167435218 /nfs/dbraw/zinc/43/52/18/167435218.db2.gz ZLVLQGRADCTBDS-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)nc1C ZINC000362559720 167797802 /nfs/dbraw/zinc/79/78/02/167797802.db2.gz HGTZJEXRAHWQJO-SECBINFHSA-N 0 0 336.373 3.105 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000367462344 168229577 /nfs/dbraw/zinc/22/95/77/168229577.db2.gz CURMNOJTSRSAQL-SFHVURJKSA-N 0 0 342.351 3.081 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000367558321 168241743 /nfs/dbraw/zinc/24/17/43/168241743.db2.gz ZUIXTMKQYLDBMZ-QAPCUYQASA-N 0 0 340.379 3.411 10 5 EGBERN CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125441656 222563631 /nfs/dbraw/zinc/56/36/31/222563631.db2.gz ABRSEISYAVIGQS-VXGBXAGGSA-N 0 0 326.418 3.379 10 5 EGBERN COc1ccccc1CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087250264 264683860 /nfs/dbraw/zinc/68/38/60/264683860.db2.gz XDUVDDWQMZIPIG-UHFFFAOYSA-N 0 0 342.395 3.237 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173214417 264968650 /nfs/dbraw/zinc/96/86/50/264968650.db2.gz URSHHAGJQCXWML-NXEZZACHSA-N 0 0 332.809 3.057 10 5 EGBERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000176580875 265189549 /nfs/dbraw/zinc/18/95/49/265189549.db2.gz ZSDKMJPLLYRKOR-GFCCVEGCSA-N 0 0 332.331 3.069 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177793417 265279092 /nfs/dbraw/zinc/27/90/92/265279092.db2.gz FIMMDEROXUHTMJ-MRXNPFEDSA-N 0 0 332.331 3.380 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000191601165 265919250 /nfs/dbraw/zinc/91/92/50/265919250.db2.gz LNLDSJMVUOOMOG-HNNXBMFYSA-N 0 0 328.372 3.082 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270319038 266497312 /nfs/dbraw/zinc/49/73/12/266497312.db2.gz XJQWHHNZTAOZJI-CYBMUJFWSA-N 0 0 343.383 3.206 10 5 EGBERN COc1cc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057991 266598028 /nfs/dbraw/zinc/59/80/28/266598028.db2.gz BGGNGKDOMQFSEV-IAQYHMDHSA-N 0 0 334.351 3.027 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000271076258 266599399 /nfs/dbraw/zinc/59/93/99/266599399.db2.gz RXVCWRWDJWSIPL-CJNGLKHVSA-N 0 0 346.774 3.027 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1O ZINC000272064530 266764457 /nfs/dbraw/zinc/76/44/57/266764457.db2.gz GXWMLOGCAPTORF-GXTWGEPZSA-N 0 0 340.807 3.117 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000272228647 266797495 /nfs/dbraw/zinc/79/74/95/266797495.db2.gz VGPDFZIXWUYLOV-LRDDRELGSA-N 0 0 341.367 3.050 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273487380 267047403 /nfs/dbraw/zinc/04/74/03/267047403.db2.gz LOBSIAOMWJLMBF-PGBBXKAQSA-N 0 0 348.384 3.114 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000274461780 267241545 /nfs/dbraw/zinc/24/15/45/267241545.db2.gz KPGOMQWVVVVHQD-OAHLLOKOSA-N 0 0 341.367 3.220 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnn(-c2ccccc2)c1 ZINC000103376894 274411277 /nfs/dbraw/zinc/41/12/77/274411277.db2.gz QIIFWWIOQYBQSC-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000068002945 274763030 /nfs/dbraw/zinc/76/30/30/274763030.db2.gz JRLNEXQHLNAQNV-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN COC(=O)c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000043149249 275128055 /nfs/dbraw/zinc/12/80/55/275128055.db2.gz SNOJSPJGAFVCAC-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN C[C@@H](Oc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376680 275161802 /nfs/dbraw/zinc/16/18/02/275161802.db2.gz ITRNPRDHQPTGBQ-CHWSQXEVSA-N 0 0 326.352 3.340 10 5 EGBERN CC[C@H](NC(=O)c1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000188617791 275218732 /nfs/dbraw/zinc/21/87/32/275218732.db2.gz VHADEEUXZATHQJ-LBPRGKRZSA-N 0 0 330.369 3.185 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)COCc1ccccc1 ZINC000194829167 275227326 /nfs/dbraw/zinc/22/73/26/275227326.db2.gz WACDBZYMXRGTFD-AWEZNQCLSA-N 0 0 342.395 3.486 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000266059375 275234887 /nfs/dbraw/zinc/23/48/87/275234887.db2.gz WAOUOCZUNHATRW-GRVZHHEISA-N 0 0 346.383 3.006 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2N1 ZINC000371971815 275684101 /nfs/dbraw/zinc/68/41/01/275684101.db2.gz BATBQBBNPQIEJE-HNNXBMFYSA-N 0 0 326.356 3.087 10 5 EGBERN C[C@H]1c2ccsc2CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286034128 275943654 /nfs/dbraw/zinc/94/36/54/275943654.db2.gz GRMVGKMRPHUXLZ-VIFPVBQESA-N 0 0 342.380 3.429 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286987455 276067236 /nfs/dbraw/zinc/06/72/36/276067236.db2.gz PDEHMRXWKSYZRQ-BJJXKVORSA-N 0 0 335.404 3.018 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287551791 276132086 /nfs/dbraw/zinc/13/20/86/276132086.db2.gz CCYYGGFQQDWAMD-GFCCVEGCSA-N 0 0 344.400 3.065 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@H]1CC(F)F ZINC000289035774 276281686 /nfs/dbraw/zinc/28/16/86/276281686.db2.gz JQIDCUPQIAUMND-LLVKDONJSA-N 0 0 343.330 3.100 10 5 EGBERN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000115665839 276299573 /nfs/dbraw/zinc/29/95/73/276299573.db2.gz XQDYKUBKHOJEHX-CQSZACIVSA-N 0 0 342.399 3.325 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000289545818 276356054 /nfs/dbraw/zinc/35/60/54/276356054.db2.gz CSOJPQRDOHLLFL-LLVKDONJSA-N 0 0 346.343 3.206 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)no1 ZINC000290753504 276536925 /nfs/dbraw/zinc/53/69/25/276536925.db2.gz STOLWGQHENLSSB-JTQLQIEISA-N 0 0 343.343 3.236 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000291311188 276624832 /nfs/dbraw/zinc/62/48/32/276624832.db2.gz OQBADKQIYGRFLJ-NSHDSACASA-N 0 0 329.356 3.432 10 5 EGBERN CO[C@@](C)(CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000291725562 276682362 /nfs/dbraw/zinc/68/23/62/276682362.db2.gz QVAICMKCTPASEV-HNNXBMFYSA-N 0 0 326.780 3.102 10 5 EGBERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291727394 276682623 /nfs/dbraw/zinc/68/26/23/276682623.db2.gz MFWNHAOAXWYOLY-IUCAKERBSA-N 0 0 346.214 3.066 10 5 EGBERN C[C@]12CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@H]1C2(F)F ZINC000292756208 276869848 /nfs/dbraw/zinc/86/98/48/276869848.db2.gz HWTDOWSDZHPVNC-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN COCC1(C2CC2)CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000601227999 460757338 /nfs/dbraw/zinc/75/73/38/460757338.db2.gz ZCRSBXIFEGLXJJ-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346346375 277949753 /nfs/dbraw/zinc/94/97/53/277949753.db2.gz IADDWZKTISMWNK-CQSZACIVSA-N 0 0 330.340 3.346 10 5 EGBERN Nc1ccc(N2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000376234615 279698867 /nfs/dbraw/zinc/69/88/67/279698867.db2.gz HQYQQSSWZATRSJ-UHFFFAOYSA-N 0 0 330.363 3.033 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](c2ccccc2)O1 ZINC000348741355 279882600 /nfs/dbraw/zinc/88/26/00/279882600.db2.gz HMPUGVDAFVTHFW-XHDPSFHLSA-N 0 0 331.347 3.283 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cc[nH]n2)c(Br)c1 ZINC000376380471 280366677 /nfs/dbraw/zinc/36/66/77/280366677.db2.gz AKIGGBVTHOGFTP-CYBMUJFWSA-N 0 0 337.177 3.422 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@H](c2ccccc2)C2CC2)nc2ccccn21 ZINC000026083132 280390333 /nfs/dbraw/zinc/39/03/33/280390333.db2.gz CIVBSLWQCUUTPC-OAHLLOKOSA-N 0 0 336.351 3.166 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000374641677 280658825 /nfs/dbraw/zinc/65/88/25/280658825.db2.gz HAVQEKCBJOXQDH-CYBMUJFWSA-N 0 0 334.278 3.045 10 5 EGBERN Cc1ccc(Cl)c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])nc12 ZINC000343014857 280843230 /nfs/dbraw/zinc/84/32/30/280843230.db2.gz LPSLJLWHPQGRRZ-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2Nc1nc2sccn2c1[N+](=O)[O-] ZINC000342966539 281134501 /nfs/dbraw/zinc/13/45/01/281134501.db2.gz UBGODKOJSKTOJT-NSHDSACASA-N 0 0 330.369 3.466 10 5 EGBERN C[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000408407862 290461917 /nfs/dbraw/zinc/46/19/17/290461917.db2.gz WVGKWYLMVMILGC-KBPBESRZSA-N 0 0 331.416 3.456 10 5 EGBERN Cc1cnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000266195729 292916502 /nfs/dbraw/zinc/91/65/02/292916502.db2.gz HNMBHBIXAIZZDL-MLGOLLRUSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000173261678 293609425 /nfs/dbraw/zinc/60/94/25/293609425.db2.gz XYJAIVZRKAFGCD-GFCCVEGCSA-N 0 0 340.383 3.173 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374195895 303087667 /nfs/dbraw/zinc/08/76/67/303087667.db2.gz YMNCNUUOVINRQX-OAHLLOKOSA-N 0 0 348.790 3.349 10 5 EGBERN O=c1[nH]cnc2cc(N3CCC[C@]4(CC=CCC4)C3)c([N+](=O)[O-])cc12 ZINC000114451426 304814784 /nfs/dbraw/zinc/81/47/84/304814784.db2.gz DTFRXBJXDYVPSY-GOSISDBHSA-N 0 0 340.383 3.158 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](CO)C2)nc1-c1ccccc1 ZINC000413599408 309038975 /nfs/dbraw/zinc/03/89/75/309038975.db2.gz BZOSPJKWVICYNQ-UKRRQHHQSA-N 0 0 327.384 3.042 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000071049745 307377791 /nfs/dbraw/zinc/37/77/91/307377791.db2.gz GSLAEAQEVUQPBU-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN CCc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1CC ZINC000091551349 307463524 /nfs/dbraw/zinc/46/35/24/307463524.db2.gz YKUDWTXOVKZKMJ-UHFFFAOYSA-N 0 0 327.384 3.431 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414030949 309057037 /nfs/dbraw/zinc/05/70/37/309057037.db2.gz ASRVLNMVDLYXKV-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000128587341 307602678 /nfs/dbraw/zinc/60/26/78/307602678.db2.gz ALCNYHCXXUYQJO-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1F ZINC000135234710 307700035 /nfs/dbraw/zinc/70/00/35/307700035.db2.gz PMVAWIHCSONVGF-UHFFFAOYSA-N 0 0 343.358 3.337 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255473054 308051389 /nfs/dbraw/zinc/05/13/89/308051389.db2.gz AADSWXWPPDSLMM-HWYHOQROSA-N 0 0 326.356 3.085 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292947692 308082929 /nfs/dbraw/zinc/08/29/29/308082929.db2.gz BJLNVNSCDLUIJW-CMPLNLGQSA-N 0 0 344.314 3.340 10 5 EGBERN COc1cc(CN2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245471 308113460 /nfs/dbraw/zinc/11/34/60/308113460.db2.gz BGIWPGRNDSUNFB-VHSXEESVSA-N 0 0 330.331 3.088 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293393618 308126863 /nfs/dbraw/zinc/12/68/63/308126863.db2.gz GAYWZTVMWWVYHR-HIFRSBDPSA-N 0 0 340.807 3.112 10 5 EGBERN COCC1(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000293820853 308165152 /nfs/dbraw/zinc/16/51/52/308165152.db2.gz GFQVOGDDMDVIBC-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295071376 308288055 /nfs/dbraw/zinc/28/80/55/308288055.db2.gz AHDSUNWUQVUSSH-CRAIPNDOSA-N 0 0 343.383 3.468 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000295076891 308288609 /nfs/dbraw/zinc/28/86/09/308288609.db2.gz XCFWPTHYOORXLZ-NSHDSACASA-N 0 0 328.796 3.036 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCO[C@@H](c4cccnc4)C3)nc2c1 ZINC000295877375 308370076 /nfs/dbraw/zinc/37/00/76/308370076.db2.gz ZMXONFYXBMMROG-MLGOLLRUSA-N 0 0 339.355 3.198 10 5 EGBERN CCc1cccc(CC)c1NC(=O)COc1ccc(N)c([N+](=O)[O-])c1 ZINC000299669620 308683797 /nfs/dbraw/zinc/68/37/97/308683797.db2.gz PBGPPUZDIZFIGT-UHFFFAOYSA-N 0 0 343.383 3.319 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(Cc2ccccc2)cc1 ZINC000301089060 308687723 /nfs/dbraw/zinc/68/77/23/308687723.db2.gz FNVBIGGAPCLFIO-UHFFFAOYSA-N 0 0 349.346 3.472 10 5 EGBERN Cc1cc(Oc2cc(C=O)ccc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000301114628 308688793 /nfs/dbraw/zinc/68/87/93/308688793.db2.gz OGJLFSYCVDITRY-UHFFFAOYSA-N 0 0 336.307 3.360 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCC[C@H]3C2)c(Br)c1 ZINC000301563448 308705401 /nfs/dbraw/zinc/70/54/01/308705401.db2.gz PGOLBVQUTIBINA-UWVGGRQHSA-N 0 0 326.194 3.379 10 5 EGBERN CC1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCC1 ZINC000301569798 308705615 /nfs/dbraw/zinc/70/56/15/308705615.db2.gz QXBPLTHIMVHRFB-UHFFFAOYSA-N 0 0 348.790 3.396 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301579899 308706039 /nfs/dbraw/zinc/70/60/39/308706039.db2.gz UMAKXMIHVIDMLO-YHBNFXLMSA-N 0 0 344.408 3.234 10 5 EGBERN CCOc1cc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000301627472 308708162 /nfs/dbraw/zinc/70/81/62/308708162.db2.gz HIWZPALKFGNZOY-CJNGLKHVSA-N 0 0 330.388 3.278 10 5 EGBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301811943 308716364 /nfs/dbraw/zinc/71/63/64/308716364.db2.gz XVRRYMSTVFZVEU-ZYHUDNBSSA-N 0 0 344.458 3.084 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3CCc3ccccc3)nn21 ZINC000301822307 308716927 /nfs/dbraw/zinc/71/69/27/308716927.db2.gz BVFAIAODASHVRZ-HNNXBMFYSA-N 0 0 337.383 3.239 10 5 EGBERN Cc1cccc(C(C)(C)CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301895305 308720484 /nfs/dbraw/zinc/72/04/84/308720484.db2.gz BLVGAMYBCPJRLD-UHFFFAOYSA-N 0 0 325.372 3.336 10 5 EGBERN COC(=O)/C=C/c1ccc(NC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301960578 308723163 /nfs/dbraw/zinc/72/31/63/308723163.db2.gz MHEFUDADBIYFAZ-YILIYONBSA-N 0 0 334.372 3.149 10 5 EGBERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988583 308724280 /nfs/dbraw/zinc/72/42/80/308724280.db2.gz LNPUDOWTPBWQTN-YPMHNXCESA-N 0 0 341.346 3.159 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000302020027 308725464 /nfs/dbraw/zinc/72/54/64/308725464.db2.gz DUGIOFYUHIDPGW-CQSZACIVSA-N 0 0 347.802 3.431 10 5 EGBERN CC(=O)N[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302023134 308725569 /nfs/dbraw/zinc/72/55/69/308725569.db2.gz JFVQOKKUHIJBSR-VIFPVBQESA-N 0 0 332.187 3.007 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000302041614 308726570 /nfs/dbraw/zinc/72/65/70/308726570.db2.gz NUXXSACDVZZGPD-OAHLLOKOSA-N 0 0 340.738 3.025 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000302054379 308727308 /nfs/dbraw/zinc/72/73/08/308727308.db2.gz PVLPDSCPHPPXGH-GTNSWQLSSA-N 0 0 328.372 3.260 10 5 EGBERN O=C(CNc1ccc([N+](=O)[O-])cc1OC(F)F)NC1CCCCC1 ZINC000302136688 308730384 /nfs/dbraw/zinc/73/03/84/308730384.db2.gz BNDBLIPTBYEPRP-UHFFFAOYSA-N 0 0 343.330 3.057 10 5 EGBERN CC1(C)CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000302353138 308736301 /nfs/dbraw/zinc/73/63/01/308736301.db2.gz BVVBFVFNHYFQRW-SECBINFHSA-N 0 0 330.182 3.122 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000303787896 308755159 /nfs/dbraw/zinc/75/51/59/308755159.db2.gz JJOOVDXYXJIBMO-CQSZACIVSA-N 0 0 348.424 3.294 10 5 EGBERN Cc1cc(NCc2nn(C)cc2Br)ccc1[N+](=O)[O-] ZINC000393355113 308902476 /nfs/dbraw/zinc/90/24/76/308902476.db2.gz OCAFFWFNVNKFSJ-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000410763262 308920921 /nfs/dbraw/zinc/92/09/21/308920921.db2.gz QYXQWPILHXQANX-VIFPVBQESA-N 0 0 344.314 3.310 10 5 EGBERN CSc1cccc(C(=O)N2CC3CC2(C(F)(F)F)C3)c1[N+](=O)[O-] ZINC000411113186 308927280 /nfs/dbraw/zinc/92/72/80/308927280.db2.gz KMRPVKJPEBZKMP-UHFFFAOYSA-N 0 0 346.330 3.484 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411372574 308936184 /nfs/dbraw/zinc/93/61/84/308936184.db2.gz VNYJUPCFBNTKCN-QAPCUYQASA-N 0 0 328.343 3.438 10 5 EGBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000412171806 308972862 /nfs/dbraw/zinc/97/28/62/308972862.db2.gz LVHCOJUVYJAILJ-PKOBYXMFSA-N 0 0 340.354 3.364 10 5 EGBERN COc1ccc(F)cc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412258087 308977638 /nfs/dbraw/zinc/97/76/38/308977638.db2.gz JOZMXSYGNFVGKE-JKSUJKDBSA-N 0 0 344.342 3.162 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413058513 309013852 /nfs/dbraw/zinc/01/38/52/309013852.db2.gz ZLFIUXIWCPSWTL-NZSAHSFTSA-N 0 0 336.391 3.372 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NCCC[C@@H]3CCCC[C@@H]3O)c2c1 ZINC000413211446 309021714 /nfs/dbraw/zinc/02/17/14/309021714.db2.gz XCFCLVYHCANHGL-YOEHRIQHSA-N 0 0 329.400 3.308 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000413371590 309029286 /nfs/dbraw/zinc/02/92/86/309029286.db2.gz WTXZZYMBBYFICX-GUYCJALGSA-N 0 0 347.415 3.175 10 5 EGBERN Cc1cc(NCCc2cn(C)cn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000413387621 309030050 /nfs/dbraw/zinc/03/00/50/309030050.db2.gz XJMSSSBIAYOMPV-UHFFFAOYSA-N 0 0 328.294 3.310 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000416023635 309154955 /nfs/dbraw/zinc/15/49/55/309154955.db2.gz ZUBKLDFYEWBMOU-CABCVRRESA-N 0 0 342.399 3.127 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000417465039 309206989 /nfs/dbraw/zinc/20/69/89/309206989.db2.gz HHJPBRGGRCXKHU-YNEHKIRRSA-N 0 0 329.404 3.354 10 5 EGBERN Cc1ccc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1C ZINC000417650624 309216012 /nfs/dbraw/zinc/21/60/12/309216012.db2.gz LULZJEBVFLPAQS-GOSISDBHSA-N 0 0 342.395 3.306 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418142753 309237410 /nfs/dbraw/zinc/23/74/10/309237410.db2.gz NPZSUHKLNQJSCF-HNNXBMFYSA-N 0 0 343.383 3.047 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000420632540 309291112 /nfs/dbraw/zinc/29/11/12/309291112.db2.gz AMSQBJXUYHCUIJ-IBGZPJMESA-N 0 0 338.363 3.195 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC34CCSCC4)cc2N1 ZINC000420650998 309291704 /nfs/dbraw/zinc/29/17/04/309291704.db2.gz IYQVCYCBLCVMOJ-LBPRGKRZSA-N 0 0 347.440 3.425 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC23CCSCC3)c1 ZINC000420654288 309291748 /nfs/dbraw/zinc/29/17/48/309291748.db2.gz PTFGSAOSMGQBKO-GFCCVEGCSA-N 0 0 336.413 3.327 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000421474631 309326207 /nfs/dbraw/zinc/32/62/07/309326207.db2.gz PZZCIZYYACDZFC-INIZCTEOSA-N 0 0 344.415 3.462 10 5 EGBERN CCOC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCCC1 ZINC000421552473 309329497 /nfs/dbraw/zinc/32/94/97/309329497.db2.gz JFYMDKHOSZPUJD-UHFFFAOYSA-N 0 0 348.399 3.207 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000421787881 309340134 /nfs/dbraw/zinc/34/01/34/309340134.db2.gz VVYMBFFMWKDHEX-YOEHRIQHSA-N 0 0 334.416 3.273 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000425029163 309462795 /nfs/dbraw/zinc/46/27/95/309462795.db2.gz HTTIJBZVEVVVBN-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000425505008 309483485 /nfs/dbraw/zinc/48/34/85/309483485.db2.gz AETURZJGKXMZGJ-FUHWJXTLSA-N 0 0 343.358 3.340 10 5 EGBERN CC[C@@H](c1ccccc1)N(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427194509 309524500 /nfs/dbraw/zinc/52/45/00/309524500.db2.gz ZUDSCDRDBHQFJU-AWEZNQCLSA-N 0 0 330.388 3.425 10 5 EGBERN Cc1nc(N[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000431477455 309633928 /nfs/dbraw/zinc/63/39/28/309633928.db2.gz LIISEIOGXYOLJP-MRVPVSSYSA-N 0 0 338.165 3.024 10 5 EGBERN Cc1ccncc1N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432176244 309654236 /nfs/dbraw/zinc/65/42/36/309654236.db2.gz LDXZCMVWOYMSBC-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434006754 309702645 /nfs/dbraw/zinc/70/26/45/309702645.db2.gz CSVWWRRPRTTYKX-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)=C[C@@H](C)C2)cc1OC ZINC000435266229 309728302 /nfs/dbraw/zinc/72/83/02/309728302.db2.gz FXMRIBBRQRLSPM-LLVKDONJSA-N 0 0 334.372 3.040 10 5 EGBERN Cc1csc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000435614999 309736230 /nfs/dbraw/zinc/73/62/30/309736230.db2.gz GDFYPBPCYWXLDQ-LLVKDONJSA-N 0 0 331.397 3.270 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000435896770 309742698 /nfs/dbraw/zinc/74/26/98/309742698.db2.gz GPESHADYIDYAOO-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436736042 309771193 /nfs/dbraw/zinc/77/11/93/309771193.db2.gz FNJQSQMHNLQFJZ-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438149464 309808020 /nfs/dbraw/zinc/80/80/20/309808020.db2.gz UFQRTYBJSRUNIR-PRXAMGSTSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439305161 309831000 /nfs/dbraw/zinc/83/10/00/309831000.db2.gz PPWWNKPEEPHDTI-UONOGXRCSA-N 0 0 333.388 3.184 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000440154716 309845678 /nfs/dbraw/zinc/84/56/78/309845678.db2.gz FPPUHPYWLKVMLB-RYUDHWBXSA-N 0 0 338.791 3.137 10 5 EGBERN C/C(=C/c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)c1cccc(F)c1 ZINC000445621547 309944651 /nfs/dbraw/zinc/94/46/51/309944651.db2.gz VHNANGMSTBKDJY-CLFYSBASSA-N 0 0 343.318 3.386 10 5 EGBERN Nc1c(C(=O)N2CCC(F)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000447614587 309984469 /nfs/dbraw/zinc/98/44/69/309984469.db2.gz KQTPVFZKFUCBSY-UHFFFAOYSA-N 0 0 343.358 3.278 10 5 EGBERN COC[C@@H](Cc1ccccc1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685892 309985668 /nfs/dbraw/zinc/98/56/68/309985668.db2.gz BYLSBQLAXAGZEX-OAHLLOKOSA-N 0 0 340.383 3.165 10 5 EGBERN COc1cc(CN2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426290 310060976 /nfs/dbraw/zinc/06/09/76/310060976.db2.gz KQUWHZJLDAAYIV-LBPRGKRZSA-N 0 0 342.342 3.232 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2O1 ZINC000449503556 310067566 /nfs/dbraw/zinc/06/75/66/310067566.db2.gz UHKWSOPFFNGKPV-GFCCVEGCSA-N 0 0 326.352 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000449661709 310078454 /nfs/dbraw/zinc/07/84/54/310078454.db2.gz CXLHPTRDSKJAMI-LBPRGKRZSA-N 0 0 345.365 3.219 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000449716383 310082259 /nfs/dbraw/zinc/08/22/59/310082259.db2.gz LDIDGFQGUNYFRK-UHFFFAOYSA-N 0 0 342.395 3.182 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450005510 310098446 /nfs/dbraw/zinc/09/84/46/310098446.db2.gz WFOWJYVSOBUTFQ-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2NCCc2cnc(C3CC3)nc2)c1 ZINC000450406785 310120620 /nfs/dbraw/zinc/12/06/20/310120620.db2.gz SHQRJLACMCRMKD-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000450413576 310121104 /nfs/dbraw/zinc/12/11/04/310121104.db2.gz VBMODLSQCQORHD-RYUDHWBXSA-N 0 0 326.352 3.409 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)[C@@H](OC)C1 ZINC000450466634 310124405 /nfs/dbraw/zinc/12/44/05/310124405.db2.gz BAFUOEUZIKVBBI-ZBEGNZNMSA-N 0 0 331.372 3.013 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)cc1[N+](=O)[O-] ZINC000450642532 310134574 /nfs/dbraw/zinc/13/45/74/310134574.db2.gz CDGSAHCSYLXZPS-KBXCAEBGSA-N 0 0 348.349 3.347 10 5 EGBERN C[C@@]12CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000450688052 310137327 /nfs/dbraw/zinc/13/73/27/310137327.db2.gz FHRHXYBSFDOTJC-HDINQQKLSA-N 0 0 328.397 3.248 10 5 EGBERN CCOc1cccc(CN(CCO)c2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000450940393 310150967 /nfs/dbraw/zinc/15/09/67/310150967.db2.gz MTQFUIQILJSGJJ-UHFFFAOYSA-N 0 0 345.399 3.004 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC=C(C)C ZINC000451743279 310195498 /nfs/dbraw/zinc/19/54/98/310195498.db2.gz TVGSOBJPADFNKK-GFCCVEGCSA-N 0 0 342.417 3.017 10 5 EGBERN COc1cc(CN2CCOCC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000451810779 310198474 /nfs/dbraw/zinc/19/84/74/310198474.db2.gz CXHGIPIBCWAXBR-UHFFFAOYSA-N 0 0 338.379 3.278 10 5 EGBERN NC(=O)c1ccc(CN2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855458 310200463 /nfs/dbraw/zinc/20/04/63/310200463.db2.gz OTJLCTIRCYNOFR-INIZCTEOSA-N 0 0 341.367 3.014 10 5 EGBERN CC(C)(C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000452110413 310212895 /nfs/dbraw/zinc/21/28/95/310212895.db2.gz YXJJDPSEPUUOTP-JTQLQIEISA-N 0 0 332.447 3.103 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2c(F)cccc21 ZINC000452186785 310217407 /nfs/dbraw/zinc/21/74/07/310217407.db2.gz AXJGMZRKWVDWFO-KRWDZBQOSA-N 0 0 328.343 3.470 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C/[C@H]3CCOC3)n2)c2c1NCCC2 ZINC000453229764 310265427 /nfs/dbraw/zinc/26/54/27/310265427.db2.gz CUEFSAHRNIJBLX-GQOHGMTASA-N 0 0 342.355 3.053 10 5 EGBERN C[C@H]1COCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453232695 310265598 /nfs/dbraw/zinc/26/55/98/310265598.db2.gz HHNUGENUWAXEAM-WDEREUQCSA-N 0 0 344.371 3.143 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCOCC3)n2)c2c1NCCC2 ZINC000453232662 310265690 /nfs/dbraw/zinc/26/56/90/310265690.db2.gz HATGJSBIJLBUKD-LLVKDONJSA-N 0 0 344.371 3.287 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000454383924 310306662 /nfs/dbraw/zinc/30/66/62/310306662.db2.gz ZXAWPIFLURPNNQ-GRDNDAEWSA-N 0 0 349.431 3.406 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]1C1CC1 ZINC000454532670 310315156 /nfs/dbraw/zinc/31/51/56/310315156.db2.gz YQMPBZADQBEBLV-NSHDSACASA-N 0 0 327.287 3.212 10 5 EGBERN CN(CC(C)(C)CO)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455400387 310359020 /nfs/dbraw/zinc/35/90/20/310359020.db2.gz BTDCNWDMRDONRV-UHFFFAOYSA-N 0 0 337.420 3.375 10 5 EGBERN CCOc1ccc(Cl)c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000456038196 310386117 /nfs/dbraw/zinc/38/61/17/310386117.db2.gz DDPGGOQOIBZAAH-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456149065 310390692 /nfs/dbraw/zinc/39/06/92/310390692.db2.gz SDYRVXKPRQKJPO-DOTOQJQBSA-N 0 0 348.443 3.488 10 5 EGBERN CSc1cccc(C(=O)NCCC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000457177566 310441906 /nfs/dbraw/zinc/44/19/06/310441906.db2.gz GSOMNGQUWWAZNW-UHFFFAOYSA-N 0 0 330.356 3.482 10 5 EGBERN C[C@@H](NC(=O)NCC(C)(C)C1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000458612623 310512439 /nfs/dbraw/zinc/51/24/39/310512439.db2.gz FZKGRRYZKHIXMT-CYBMUJFWSA-N 0 0 349.431 3.286 10 5 EGBERN CC1(CO)CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000459619337 310564637 /nfs/dbraw/zinc/56/46/37/310564637.db2.gz HYEXPGDYJQWETI-UHFFFAOYSA-N 0 0 346.358 3.340 10 5 EGBERN Cc1cnc(CCCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)o1 ZINC000459983613 310578601 /nfs/dbraw/zinc/57/86/01/310578601.db2.gz GRYUFIQZSMJBRB-LLVKDONJSA-N 0 0 329.356 3.192 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000460502225 310583897 /nfs/dbraw/zinc/58/38/97/310583897.db2.gz VRCWHIVOZOYIMV-DZGCQCFKSA-N 0 0 346.333 3.335 10 5 EGBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cn(C)nc1C1CC1 ZINC000462860378 310606879 /nfs/dbraw/zinc/60/68/79/310606879.db2.gz OZPPPOPFYAMWGG-LLVKDONJSA-N 0 0 343.387 3.035 10 5 EGBERN CCOC(=O)CC1(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CCCC1 ZINC000468756590 310693273 /nfs/dbraw/zinc/69/32/73/310693273.db2.gz AKUXWNZGHUZQPM-UHFFFAOYSA-N 0 0 348.399 3.153 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000473481443 310775666 /nfs/dbraw/zinc/77/56/66/310775666.db2.gz JJSZZNVQEBYCLD-AGIUHOORSA-N 0 0 335.404 3.179 10 5 EGBERN COc1ccc(F)cc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473515005 310776145 /nfs/dbraw/zinc/77/61/45/310776145.db2.gz ZVUUAMDFUFCZKY-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473534801 310776695 /nfs/dbraw/zinc/77/66/95/310776695.db2.gz QTDUVOUVEZSMMO-XYPYZODXSA-N 0 0 343.221 3.405 10 5 EGBERN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000479477374 310876048 /nfs/dbraw/zinc/87/60/48/310876048.db2.gz ZLCBWHOOTUPTJH-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN CCc1nn(C)c(N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000481099247 310906030 /nfs/dbraw/zinc/90/60/30/310906030.db2.gz CDYIUMVPJMGUET-QGZVFWFLSA-N 0 0 332.379 3.198 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2(C)CCCC2)cc1C ZINC000486983073 311005672 /nfs/dbraw/zinc/00/56/72/311005672.db2.gz CGBCMUJQFOIPJP-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487125162 311011449 /nfs/dbraw/zinc/01/14/49/311011449.db2.gz XQYZUYRVPHIBQW-UONOGXRCSA-N 0 0 340.383 3.227 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(OC2COC2)cc1 ZINC000487719102 311035283 /nfs/dbraw/zinc/03/52/83/311035283.db2.gz KFRXAEKETUDYEC-UHFFFAOYSA-N 0 0 337.335 3.086 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000488082912 311050499 /nfs/dbraw/zinc/05/04/99/311050499.db2.gz FBUXKRHOJNQPRN-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)c(F)c3C2)c1 ZINC000488941780 311085609 /nfs/dbraw/zinc/08/56/09/311085609.db2.gz OKSKSNTYKRTPPD-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC(F)(F)C1 ZINC000488976943 311087568 /nfs/dbraw/zinc/08/75/68/311087568.db2.gz JEGXOMBEXPYEDU-JTQLQIEISA-N 0 0 330.356 3.381 10 5 EGBERN CC(C)(NCc1cc(-c2cccnc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492398929 311245935 /nfs/dbraw/zinc/24/59/35/311245935.db2.gz NPLORTPSIXYCPI-UHFFFAOYSA-N 0 0 337.383 3.405 10 5 EGBERN CCOC[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000494781443 311511054 /nfs/dbraw/zinc/51/10/54/311511054.db2.gz VQFIASXSXJZDCE-ZDUSSCGKSA-N 0 0 343.383 3.493 10 5 EGBERN Cn1c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000497081678 311813888 /nfs/dbraw/zinc/81/38/88/311813888.db2.gz QOMNRQNEOIDLIU-GFCCVEGCSA-N 0 0 333.775 3.216 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000497992783 311872683 /nfs/dbraw/zinc/87/26/83/311872683.db2.gz IGRVNGLGBIFNQT-HOCLYGCPSA-N 0 0 348.443 3.128 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000505591364 312027321 /nfs/dbraw/zinc/02/73/21/312027321.db2.gz RSAPPYZEUYFZOH-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN COC(=O)c1cc(-c2nc(CCC(C)(C)C)no2)cc([N+](=O)[O-])c1 ZINC000508669640 312099209 /nfs/dbraw/zinc/09/92/09/312099209.db2.gz DPZDDCJKHLVCPO-UHFFFAOYSA-N 0 0 333.344 3.410 10 5 EGBERN C[C@H]1CCCC[C@@H]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512185721 312178284 /nfs/dbraw/zinc/17/82/84/312178284.db2.gz YXFSWEGMDYELSY-WDEREUQCSA-N 0 0 332.447 3.151 10 5 EGBERN CCOc1ccc(NC(=O)CN2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512210372 312179103 /nfs/dbraw/zinc/17/91/03/312179103.db2.gz CRSONHWMHALLIB-ZDUSSCGKSA-N 0 0 335.404 3.197 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CNc3cc4n(n3)CCCC4)o2)c1 ZINC000513027967 312200217 /nfs/dbraw/zinc/20/02/17/312200217.db2.gz RQVKAQZUUICLNP-UHFFFAOYSA-N 0 0 338.367 3.422 10 5 EGBERN C[C@@H]1CCC[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514965965 312256763 /nfs/dbraw/zinc/25/67/63/312256763.db2.gz OALBEJCBLMFYGU-MNOVXSKESA-N 0 0 326.343 3.453 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@]3(CCCOC3)C1)CCCC2 ZINC000515056712 312263409 /nfs/dbraw/zinc/26/34/09/312263409.db2.gz OCSMYDLEHBNKBW-GOSISDBHSA-N 0 0 331.416 3.266 10 5 EGBERN Cc1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000515494726 312286168 /nfs/dbraw/zinc/28/61/68/312286168.db2.gz YKCNPLSXDIHVKA-BLLLJJGKSA-N 0 0 347.415 3.021 10 5 EGBERN O=C(c1ccc2c(c1)CCN2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000516972739 312355655 /nfs/dbraw/zinc/35/56/55/312355655.db2.gz IOFGJUCOEOHKMQ-UHFFFAOYSA-N 0 0 337.379 3.368 10 5 EGBERN COC(=O)CCC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000517911031 312397943 /nfs/dbraw/zinc/39/79/43/312397943.db2.gz BUJIOMORAASGIC-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN COc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000518930695 312433283 /nfs/dbraw/zinc/43/32/83/312433283.db2.gz BVDIZGDPXQECGB-BLVKFPJESA-N 0 0 340.379 3.196 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000519668851 312469207 /nfs/dbraw/zinc/46/92/07/312469207.db2.gz KGTMZKCZECFCHA-VHSXEESVSA-N 0 0 346.305 3.159 10 5 EGBERN CC[C@@H](C)CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520387308 312503661 /nfs/dbraw/zinc/50/36/61/312503661.db2.gz IUSZDYWYRFKLAB-SECBINFHSA-N 0 0 334.825 3.223 10 5 EGBERN CNc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000525725211 312744790 /nfs/dbraw/zinc/74/47/90/312744790.db2.gz QESNLQKAIIGMOO-JTQLQIEISA-N 0 0 349.337 3.448 10 5 EGBERN Cc1ccnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000531634565 313693998 /nfs/dbraw/zinc/69/39/98/313693998.db2.gz UGNYTXXKLIUXHX-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532217696 313769512 /nfs/dbraw/zinc/76/95/12/313769512.db2.gz PZIUNQLHUCWYNB-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532387762 313792739 /nfs/dbraw/zinc/79/27/39/313792739.db2.gz JOYGQSOWGNCHIW-UHFFFAOYSA-N 0 0 343.358 3.371 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N(CC(F)F)CC1CCC1 ZINC000536409880 314112145 /nfs/dbraw/zinc/11/21/45/314112145.db2.gz QEHGODNDOWKEES-UHFFFAOYSA-N 0 0 326.343 3.421 10 5 EGBERN O=C(c1csc2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537580155 314190295 /nfs/dbraw/zinc/19/02/95/314190295.db2.gz DZRLYYPZOOPLDF-UHFFFAOYSA-N 0 0 339.376 3.403 10 5 EGBERN Cc1ccc(F)c(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538237993 314234311 /nfs/dbraw/zinc/23/43/11/314234311.db2.gz VKKADGYKCWUMJH-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000539335296 314307451 /nfs/dbraw/zinc/30/74/51/314307451.db2.gz FOONVQDIRPFMLV-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cn1 ZINC000539479134 314315918 /nfs/dbraw/zinc/31/59/18/314315918.db2.gz FIPHBVBAGICLSL-ZDUSSCGKSA-N 0 0 347.758 3.287 10 5 EGBERN C[C@H](O)C(C)(C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000539963299 314353637 /nfs/dbraw/zinc/35/36/37/314353637.db2.gz PCWJGQRJHPEIQA-LBPRGKRZSA-N 0 0 343.383 3.228 10 5 EGBERN C[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000540425697 314379824 /nfs/dbraw/zinc/37/98/24/314379824.db2.gz CAQOIMGYIMNUKM-LBPRGKRZSA-N 0 0 347.802 3.215 10 5 EGBERN COc1ccc(CNC(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000540886531 314411446 /nfs/dbraw/zinc/41/14/46/314411446.db2.gz HFKMCKOWBLRCKY-VMPITWQZSA-N 0 0 341.367 3.116 10 5 EGBERN CC(=O)N1CCc2c1cccc2NCc1ccc([N+](=O)[O-])cc1C ZINC000545976050 314799332 /nfs/dbraw/zinc/79/93/32/314799332.db2.gz TWUKXOQKXPCRCA-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)(F)F ZINC000548890463 315060027 /nfs/dbraw/zinc/06/00/27/315060027.db2.gz UMZNFHQCPBANMX-UHFFFAOYSA-N 0 0 341.289 3.461 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CC(c2ccccc2)C1 ZINC000548984909 315066800 /nfs/dbraw/zinc/06/68/00/315066800.db2.gz XCWWVSJOMZHRAT-UHFFFAOYSA-N 0 0 346.408 3.067 10 5 EGBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552035972 315191568 /nfs/dbraw/zinc/19/15/68/315191568.db2.gz PYCPUTUKLOWSFX-SHTZXODSSA-N 0 0 340.383 3.143 10 5 EGBERN Cc1sc(C(=O)N2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000552393341 315217458 /nfs/dbraw/zinc/21/74/58/315217458.db2.gz ULPJNNNKPWEQLK-UHFFFAOYSA-N 0 0 329.381 3.289 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552401536 315218793 /nfs/dbraw/zinc/21/87/93/315218793.db2.gz ZVDOWQNFERIJAX-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](c3ccccc3C)C2)n1 ZINC000553559007 315269732 /nfs/dbraw/zinc/26/97/32/315269732.db2.gz AGRDGQICVKJXJP-JOCQHMNTSA-N 0 0 341.367 3.443 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000557686564 315528007 /nfs/dbraw/zinc/52/80/07/315528007.db2.gz RHGUTTGWHNWVIQ-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000558958851 315612228 /nfs/dbraw/zinc/61/22/28/315612228.db2.gz GOZVEALOBBDXJT-OCCSQVGLSA-N 0 0 342.342 3.004 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000559636683 315640656 /nfs/dbraw/zinc/64/06/56/315640656.db2.gz SXSLYDWACVKONW-UHFFFAOYSA-N 0 0 347.415 3.136 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000561109050 315741001 /nfs/dbraw/zinc/74/10/01/315741001.db2.gz XSDRHLVGTGTSCN-LBPRGKRZSA-N 0 0 329.356 3.282 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000563425888 316019516 /nfs/dbraw/zinc/01/95/16/316019516.db2.gz KIIPYGVDOVLMJN-UHFFFAOYSA-N 0 0 342.399 3.327 10 5 EGBERN CC[C@@](C)(NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000564127200 316116077 /nfs/dbraw/zinc/11/60/77/316116077.db2.gz OZXZPPGFTOITDW-GFCCVEGCSA-N 0 0 340.248 3.263 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000564331422 316138457 /nfs/dbraw/zinc/13/84/57/316138457.db2.gz FZFAAWFZHQCVTG-BPCQOVAHSA-N 0 0 348.399 3.168 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000565895499 316384655 /nfs/dbraw/zinc/38/46/55/316384655.db2.gz UEDOFXBCVGTULQ-HZPDHXFCSA-N 0 0 332.400 3.436 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000566478277 316484157 /nfs/dbraw/zinc/48/41/57/316484157.db2.gz NHJGGMHYEGNHLY-KGLIPLIRSA-N 0 0 349.431 3.125 10 5 EGBERN Cc1cc(C)c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c(=O)[nH]1 ZINC000566911941 316543555 /nfs/dbraw/zinc/54/35/55/316543555.db2.gz TWZLYSUIWNKYQH-UHFFFAOYSA-N 0 0 328.372 3.198 10 5 EGBERN CCc1ccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC000570570114 317075215 /nfs/dbraw/zinc/07/52/15/317075215.db2.gz PAUCVQMPWHGLTL-UHFFFAOYSA-N 0 0 340.379 3.081 10 5 EGBERN CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC(C)(C)C1 ZINC000571045225 317144148 /nfs/dbraw/zinc/14/41/48/317144148.db2.gz NBPLNHXTOOTFBN-UHFFFAOYSA-N 0 0 344.415 3.449 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2c(c1)CCCO2 ZINC000574404296 317594411 /nfs/dbraw/zinc/59/44/11/317594411.db2.gz LMCYBLXFAFIBFP-UHFFFAOYSA-N 0 0 348.305 3.379 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000272177111 455867028 /nfs/dbraw/zinc/86/70/28/455867028.db2.gz QIRALSFQALBCSE-RKDXNWHRSA-N 0 0 343.177 3.111 10 5 EGBERN CO[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000231683030 456142960 /nfs/dbraw/zinc/14/29/60/456142960.db2.gz JYEYEJKACGNZDI-DTWKUNHWSA-N 0 0 330.182 3.040 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC/C=C/c1ccccc1 ZINC000171993613 323265328 /nfs/dbraw/zinc/26/53/28/323265328.db2.gz BELCTPFMXYXKQL-RMKNXTFCSA-N 0 0 326.352 3.193 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000179350662 323383659 /nfs/dbraw/zinc/38/36/59/323383659.db2.gz ZROHPNIEBIUZLT-AWEZNQCLSA-N 0 0 334.416 3.395 10 5 EGBERN CSCCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180290230 323433910 /nfs/dbraw/zinc/43/39/10/323433910.db2.gz KWRJYOQZWFFGDI-UHFFFAOYSA-N 0 0 337.426 3.434 10 5 EGBERN Cc1csc([C@@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000184262677 323649743 /nfs/dbraw/zinc/64/97/43/323649743.db2.gz LSXPXUSCYALWQF-SNVBAGLBSA-N 0 0 345.384 3.261 10 5 EGBERN COc1cc(Cc2noc(C(F)=C3CCC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351296843 324220686 /nfs/dbraw/zinc/22/06/86/324220686.db2.gz RGHWCRZISGQDEX-UHFFFAOYSA-N 0 0 349.318 3.450 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000495126782 324377762 /nfs/dbraw/zinc/37/77/62/324377762.db2.gz GGPWYQXOTXASTB-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577581190 324829687 /nfs/dbraw/zinc/82/96/87/324829687.db2.gz VAQSOCNKRRENKC-JQWIXIFHSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000579204536 325076345 /nfs/dbraw/zinc/07/63/45/325076345.db2.gz BAFXDLLUEVNLIG-INIZCTEOSA-N 0 0 329.331 3.415 10 5 EGBERN CCCCN(Cc1ccccc1Cl)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000581932281 325400121 /nfs/dbraw/zinc/40/01/21/325400121.db2.gz WRNBKIMRBIAXGD-UHFFFAOYSA-N 0 0 336.779 3.414 10 5 EGBERN O=C(CCC(F)(F)F)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583657093 325540854 /nfs/dbraw/zinc/54/08/54/325540854.db2.gz ZDSUIIXXMCLOHY-UHFFFAOYSA-N 0 0 329.278 3.077 10 5 EGBERN C[C@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347169403 457267204 /nfs/dbraw/zinc/26/72/04/457267204.db2.gz PCURUGAHMNSLAV-QMMMGPOBSA-N 0 0 328.166 3.374 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000189580072 455220463 /nfs/dbraw/zinc/22/04/63/455220463.db2.gz DNKIEUQVEGVIGB-UHFFFAOYSA-N 0 0 338.367 3.321 10 5 EGBERN COc1cc2c(cc1OC)CN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183228871 455255944 /nfs/dbraw/zinc/25/59/44/455255944.db2.gz BTLKOANLCZUWDC-UHFFFAOYSA-N 0 0 342.395 3.479 10 5 EGBERN COC(=O)c1ccccc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000080206 452499871 /nfs/dbraw/zinc/49/98/71/452499871.db2.gz GRINYJAIOOFXKV-UHFFFAOYSA-N 0 0 331.349 3.356 10 5 EGBERN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000000173447 452527603 /nfs/dbraw/zinc/52/76/03/452527603.db2.gz NYVODOVZRMHKNG-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003571310 452781238 /nfs/dbraw/zinc/78/12/38/452781238.db2.gz YFHFCYKKYCDCEJ-UHFFFAOYSA-N 0 0 338.319 3.424 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccnc3)cc2[N+](=O)[O-])C1 ZINC000004869112 452824320 /nfs/dbraw/zinc/82/43/20/452824320.db2.gz DZMJKFPRMACXEN-CYBMUJFWSA-N 0 0 340.383 3.478 10 5 EGBERN COc1ccc(-c2nnc([C@@H](C)Oc3cccnc3[N+](=O)[O-])o2)cc1 ZINC000007551449 453086015 /nfs/dbraw/zinc/08/60/15/453086015.db2.gz BHEKTFTVUCQZMB-SNVBAGLBSA-N 0 0 342.311 3.188 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000010911553 453305170 /nfs/dbraw/zinc/30/51/70/453305170.db2.gz MQOPAJTWAABPEM-UHFFFAOYSA-N 0 0 339.311 3.301 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600760582 460593310 /nfs/dbraw/zinc/59/33/10/460593310.db2.gz WAWVXEAMTNDLNR-UGSOOPFHSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000600774488 460598261 /nfs/dbraw/zinc/59/82/61/460598261.db2.gz QYDCVYOBHMMVFA-HNNXBMFYSA-N 0 0 326.352 3.239 10 5 EGBERN C[C@H](C(=O)N1CC[C@H](c2ccc(O)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600776740 460599998 /nfs/dbraw/zinc/59/99/98/460599998.db2.gz RMVDJIAUPKJPMY-BBRMVZONSA-N 0 0 340.379 3.420 10 5 EGBERN CC[C@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)[nH]1 ZINC000013474601 453464458 /nfs/dbraw/zinc/46/44/58/453464458.db2.gz BAHICYQJMLPTQF-JTQLQIEISA-N 0 0 333.413 3.468 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)/C=C/c1ccc(F)cc1 ZINC000015544276 453575531 /nfs/dbraw/zinc/57/55/31/453575531.db2.gz ITZCHARFJKUIIV-RUDMXATFSA-N 0 0 331.299 3.499 10 5 EGBERN CCc1cccc(CC)c1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000015960672 453590687 /nfs/dbraw/zinc/59/06/87/453590687.db2.gz ROHLWCJGQHISQB-UHFFFAOYSA-N 0 0 330.388 3.172 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600805525 460611033 /nfs/dbraw/zinc/61/10/33/460611033.db2.gz SAXJPMDTMCDFKL-LBPRGKRZSA-N 0 0 325.368 3.453 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600803555 460611392 /nfs/dbraw/zinc/61/13/92/460611392.db2.gz KMAGQURHARHSSS-NSHDSACASA-N 0 0 341.367 3.159 10 5 EGBERN Cc1csc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184222014 455363884 /nfs/dbraw/zinc/36/38/84/455363884.db2.gz AGVMPMMBHROYFF-NEPJUHHUSA-N 0 0 348.428 3.346 10 5 EGBERN COc1ccc(OC)c(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000026719714 453804096 /nfs/dbraw/zinc/80/40/96/453804096.db2.gz SEOLPVUFUIQRQO-UHFFFAOYSA-N 0 0 329.356 3.176 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028174927 453822448 /nfs/dbraw/zinc/82/24/48/453822448.db2.gz WXYOEDUSGKLYRC-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN CC(C)Cn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000081281678 453855776 /nfs/dbraw/zinc/85/57/76/453855776.db2.gz CRNCPGVSOTYMGE-UHFFFAOYSA-N 0 0 327.344 3.181 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190738381 455376035 /nfs/dbraw/zinc/37/60/35/455376035.db2.gz SBSHUNPFDAURLW-GFCCVEGCSA-N 0 0 345.321 3.349 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000053555954 453887632 /nfs/dbraw/zinc/88/76/32/453887632.db2.gz SLKPMWQHIQKBPO-WDEREUQCSA-N 0 0 345.321 3.487 10 5 EGBERN CCN(CC)C(=O)[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000053581685 453889585 /nfs/dbraw/zinc/88/95/85/453889585.db2.gz IAIAJEYNXXTGLJ-OAHLLOKOSA-N 0 0 328.372 3.011 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nccs2)C1 ZINC000067047955 453897049 /nfs/dbraw/zinc/89/70/49/453897049.db2.gz WXUNSFJLYOZOFB-GPAKFWEMSA-N 0 0 343.408 3.471 10 5 EGBERN O=C(C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000053834219 453898352 /nfs/dbraw/zinc/89/83/52/453898352.db2.gz AACKEFNIHDRNEW-UHFFFAOYSA-N 0 0 337.807 3.087 10 5 EGBERN COc1ccc(CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000053834942 453898630 /nfs/dbraw/zinc/89/86/30/453898630.db2.gz QNJLJMIOXWPDCY-UHFFFAOYSA-N 0 0 344.415 3.186 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000075526961 453900824 /nfs/dbraw/zinc/90/08/24/453900824.db2.gz HGFRXNNJRAGPKL-MLGOLLRUSA-N 0 0 325.368 3.345 10 5 EGBERN Cc1nnc([C@@H](C)Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000084114695 453970127 /nfs/dbraw/zinc/97/01/27/453970127.db2.gz AQEABOWTNPZRAX-SNVBAGLBSA-N 0 0 340.343 3.225 10 5 EGBERN CCCc1n[nH]c(C(=O)N(C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000068235618 454010440 /nfs/dbraw/zinc/01/04/40/454010440.db2.gz KYHOPFGRFMNLTR-UHFFFAOYSA-N 0 0 336.779 3.196 10 5 EGBERN CC(=O)N[C@@H](C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000084809421 454010960 /nfs/dbraw/zinc/01/09/60/454010960.db2.gz LAHQOGQJFTZYHB-YVEFUNNKSA-N 0 0 348.399 3.202 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@H](C(C)C)N2CCCC2=O)cc1[N+](=O)[O-] ZINC000084808814 454010977 /nfs/dbraw/zinc/01/09/77/454010977.db2.gz NFGJBCXHHBPAIF-DYVFJYSZSA-N 0 0 348.399 3.154 10 5 EGBERN CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809929 454011238 /nfs/dbraw/zinc/01/12/38/454011238.db2.gz HHALCSSPVNWSRM-DZGCQCFKSA-N 0 0 348.399 3.299 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000077222668 454077465 /nfs/dbraw/zinc/07/74/65/454077465.db2.gz UEPFKEMTWCNVDQ-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN CNC(=O)c1ccc(NCc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000057148193 454105929 /nfs/dbraw/zinc/10/59/29/454105929.db2.gz KXNIEXCBCWIOFE-UHFFFAOYSA-N 0 0 331.397 3.288 10 5 EGBERN COc1ccccc1C1(CNc2ccc([N+](=O)[O-])cn2)CCOCC1 ZINC000057150056 454106302 /nfs/dbraw/zinc/10/63/02/454106302.db2.gz BWLFGVAVWRCAKH-UHFFFAOYSA-N 0 0 343.383 3.159 10 5 EGBERN CCOC(=O)c1cnn(-c2cc(C)ccc2[N+](=O)[O-])c1C(F)F ZINC000088722618 454117784 /nfs/dbraw/zinc/11/77/84/454117784.db2.gz ZDBGHSKHCIJNFO-UHFFFAOYSA-N 0 0 325.271 3.203 10 5 EGBERN Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)n1 ZINC000077581253 454127095 /nfs/dbraw/zinc/12/70/95/454127095.db2.gz UWDVABUSEWXPNL-UHFFFAOYSA-N 0 0 343.339 3.020 10 5 EGBERN Cc1ncc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000119308600 454186260 /nfs/dbraw/zinc/18/62/60/454186260.db2.gz MGBFXMYOACIWHP-UHFFFAOYSA-N 0 0 346.412 3.234 10 5 EGBERN COc1ccc2nc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])ccc2c1 ZINC000078148744 454201000 /nfs/dbraw/zinc/20/10/00/454201000.db2.gz GLDQPBRSWJLYEV-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN O=[N+]([O-])c1cc(CSC[C@@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000058427709 454202330 /nfs/dbraw/zinc/20/23/30/454202330.db2.gz KZNBFIZUGOZUDQ-MRXNPFEDSA-N 0 0 347.392 3.428 10 5 EGBERN O=C(c1cc(N2C[C@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000078372263 454242353 /nfs/dbraw/zinc/24/23/53/454242353.db2.gz CSTLBVIQCNHLBL-HUUCEWRRSA-N 0 0 341.411 3.233 10 5 EGBERN CC[C@H](NC(=O)c1cnc2onc(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000090467160 454309706 /nfs/dbraw/zinc/30/97/06/454309706.db2.gz YCHMQNXDLPFUEI-HNNXBMFYSA-N 0 0 340.339 3.321 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000090621252 454330194 /nfs/dbraw/zinc/33/01/94/454330194.db2.gz IKFPFCBSIWEGOS-ARFHVFGLSA-N 0 0 335.404 3.303 10 5 EGBERN CC(C)Cc1ccc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000097681385 454442902 /nfs/dbraw/zinc/44/29/02/454442902.db2.gz DLIZPYFGTZHUNH-CQSZACIVSA-N 0 0 344.415 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000073513186 454444171 /nfs/dbraw/zinc/44/41/71/454444171.db2.gz DJBBOQYQSLXHTG-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(OCc2ccc(F)cc2)CC1 ZINC000091668683 454454903 /nfs/dbraw/zinc/45/49/03/454454903.db2.gz SPACLLROUVSXRL-UHFFFAOYSA-N 0 0 331.347 3.315 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000133828033 454472564 /nfs/dbraw/zinc/47/25/64/454472564.db2.gz KSHLNQPOQWJBCR-KRWDZBQOSA-N 0 0 344.367 3.029 10 5 EGBERN COC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccccc1 ZINC000091981831 454498595 /nfs/dbraw/zinc/49/85/95/454498595.db2.gz HHCFHLOKYCJBDD-INIZCTEOSA-N 0 0 344.367 3.489 10 5 EGBERN CCCn1nccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000102380695 454501961 /nfs/dbraw/zinc/50/19/61/454501961.db2.gz BRKCFDLFQIBLRX-UHFFFAOYSA-N 0 0 331.376 3.032 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000079988068 454510644 /nfs/dbraw/zinc/51/06/44/454510644.db2.gz VRJBMCQBDZOXDV-GOSISDBHSA-N 0 0 348.399 3.026 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2cc(F)ccc2C1 ZINC000092096959 454520490 /nfs/dbraw/zinc/52/04/90/454520490.db2.gz GWSGLIJXLMVFLY-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN Cc1nncn1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000134311957 454526350 /nfs/dbraw/zinc/52/63/50/454526350.db2.gz SWJHJKGGORFPCA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000134423626 454540480 /nfs/dbraw/zinc/54/04/80/454540480.db2.gz RQRYDSGSRWROGY-MRVPVSSYSA-N 0 0 337.767 3.032 10 5 EGBERN O=C(Cc1ccon1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000074222904 454547180 /nfs/dbraw/zinc/54/71/80/454547180.db2.gz FUPGSKHWAPFKQV-UHFFFAOYSA-N 0 0 337.335 3.359 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2cccc(Cl)c2NC(C)C)c1[N+](=O)[O-] ZINC000074257617 454551307 /nfs/dbraw/zinc/55/13/07/454551307.db2.gz PWCOGOYSGSXYLC-UHFFFAOYSA-N 0 0 337.767 3.352 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050478 454606688 /nfs/dbraw/zinc/60/66/88/454606688.db2.gz COKCLKNUFBKODL-TZMCWYRMSA-N 0 0 339.461 3.173 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000065815048 454628054 /nfs/dbraw/zinc/62/80/54/454628054.db2.gz FMDVQAXICXKKDQ-VTXSZYRJSA-N 0 0 330.384 3.254 10 5 EGBERN CCOc1cc(N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000080761719 454629228 /nfs/dbraw/zinc/62/92/28/454629228.db2.gz IXYDFRZNTDWTBB-UHFFFAOYSA-N 0 0 327.384 3.320 10 5 EGBERN Cc1ccc(CN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)o1 ZINC000065835313 454629879 /nfs/dbraw/zinc/62/98/79/454629879.db2.gz FGIQPTFIRYEHBW-UHFFFAOYSA-N 0 0 327.340 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(Cl)nc1 ZINC000080914566 454645461 /nfs/dbraw/zinc/64/54/61/454645461.db2.gz SHPZMKWBVXATCX-UHFFFAOYSA-N 0 0 348.790 3.022 10 5 EGBERN COC(=O)C(C)(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000092950945 454658481 /nfs/dbraw/zinc/65/84/81/454658481.db2.gz FGPRIJYGUPSQTR-SNVBAGLBSA-N 0 0 341.795 3.059 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC23CCC3)c(C(F)(F)F)c1 ZINC000135535417 454687977 /nfs/dbraw/zinc/68/79/77/454687977.db2.gz OAQNUTXHXQKLTB-UHFFFAOYSA-N 0 0 330.306 3.369 10 5 EGBERN CC(C)(C)n1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000093284066 454700096 /nfs/dbraw/zinc/70/00/96/454700096.db2.gz WPBRPLQNLVJZTQ-UHFFFAOYSA-N 0 0 343.387 3.137 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3sccc32)s1 ZINC000161977588 454741803 /nfs/dbraw/zinc/74/18/03/454741803.db2.gz METQUNFFISDVJK-VIFPVBQESA-N 0 0 344.439 3.074 10 5 EGBERN Cc1sc(C(=O)N(C)CCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000107506052 454760386 /nfs/dbraw/zinc/76/03/86/454760386.db2.gz FYPWYJSNTHIMDW-UHFFFAOYSA-N 0 0 333.413 3.173 10 5 EGBERN CCCCc1noc([C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153341671 454784141 /nfs/dbraw/zinc/78/41/41/454784141.db2.gz LLMFLSRGJPCGBM-LBPRGKRZSA-N 0 0 330.388 3.440 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000147767328 454865912 /nfs/dbraw/zinc/86/59/12/454865912.db2.gz NEUDWCBTAMKAGQ-OAHLLOKOSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000126264065 454881966 /nfs/dbraw/zinc/88/19/66/454881966.db2.gz PSVSXDSNNVQVQL-GFCCVEGCSA-N 0 0 338.385 3.153 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2CCCC[C@H]2C1 ZINC000154608980 454912393 /nfs/dbraw/zinc/91/23/93/454912393.db2.gz WUWLHSWVYMDMLX-STQMWFEESA-N 0 0 325.368 3.405 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000113139650 454915016 /nfs/dbraw/zinc/91/50/16/454915016.db2.gz IBBSQQGOPGBCQC-UHFFFAOYSA-N 0 0 346.817 3.443 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000177953616 454922220 /nfs/dbraw/zinc/92/22/20/454922220.db2.gz YVLKGNXLJHIUMG-SMDDNHRTSA-N 0 0 326.418 3.146 10 5 EGBERN CSc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113896946 454938418 /nfs/dbraw/zinc/93/84/18/454938418.db2.gz QBHXDYUQSIPUJW-CYBMUJFWSA-N 0 0 346.412 3.407 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000178237747 454943894 /nfs/dbraw/zinc/94/38/94/454943894.db2.gz LKWJVHWONLNWPB-WBMJQRKESA-N 0 0 331.347 3.404 10 5 EGBERN COC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000170749938 454968723 /nfs/dbraw/zinc/96/87/23/454968723.db2.gz CZWQPKFFGRHURK-HNNXBMFYSA-N 0 0 329.356 3.412 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000151514989 454995777 /nfs/dbraw/zinc/99/57/77/454995777.db2.gz KKCAIGOTDWVJDE-SUMWQHHRSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115099838 454996891 /nfs/dbraw/zinc/99/68/91/454996891.db2.gz LYMVASXPVXZGJG-UHFFFAOYSA-N 0 0 340.335 3.345 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000115103574 454997374 /nfs/dbraw/zinc/99/73/74/454997374.db2.gz AYDNSTGCANYXIJ-CYBMUJFWSA-N 0 0 345.424 3.364 10 5 EGBERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000155487779 455007898 /nfs/dbraw/zinc/00/78/98/455007898.db2.gz QKWKLSGUMQJZIL-STQMWFEESA-N 0 0 333.432 3.057 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151648301 455012588 /nfs/dbraw/zinc/01/25/88/455012588.db2.gz ZAKQDNUKHVJGQI-ZWNOBZJWSA-N 0 0 332.381 3.121 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000151716190 455020630 /nfs/dbraw/zinc/02/06/30/455020630.db2.gz QJNAEQDWAHJUHY-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000115589801 455022081 /nfs/dbraw/zinc/02/20/81/455022081.db2.gz CLOFJUQJRYQDIK-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000151747220 455025313 /nfs/dbraw/zinc/02/53/13/455025313.db2.gz QIZFHMFQJCYJHD-DIFFPNOSSA-N 0 0 344.342 3.198 10 5 EGBERN Cc1csc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000116144738 455044495 /nfs/dbraw/zinc/04/44/95/455044495.db2.gz NVVTYPQTDLIFLW-UHFFFAOYSA-N 0 0 325.415 3.395 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000151917984 455048580 /nfs/dbraw/zinc/04/85/80/455048580.db2.gz WPWUMKIAIGICHI-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000128420456 455054741 /nfs/dbraw/zinc/05/47/41/455054741.db2.gz WFMHGRJNDKJDIX-CQSZACIVSA-N 0 0 346.387 3.009 10 5 EGBERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116476673 455057951 /nfs/dbraw/zinc/05/79/51/455057951.db2.gz RMWMBYYNTZYYHD-JTQLQIEISA-N 0 0 349.778 3.003 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000171425355 455069216 /nfs/dbraw/zinc/06/92/16/455069216.db2.gz SHAHXGBQJKMHDJ-XJKSGUPXSA-N 0 0 335.404 3.082 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000152373289 455109595 /nfs/dbraw/zinc/10/95/95/455109595.db2.gz RUVHYJXTAJNSES-OAHLLOKOSA-N 0 0 331.416 3.496 10 5 EGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172049870 455113355 /nfs/dbraw/zinc/11/33/55/455113355.db2.gz GHXUBZCJXMQWSH-SJKOYZFVSA-N 0 0 326.352 3.118 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588423 455136154 /nfs/dbraw/zinc/13/61/54/455136154.db2.gz CAEDVLBILNWNPZ-GFCCVEGCSA-N 0 0 338.379 3.288 10 5 EGBERN O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000189333444 455178722 /nfs/dbraw/zinc/17/87/22/455178722.db2.gz FDNVZSRPCOQMLX-MDASCCDHSA-N 0 0 326.396 3.435 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182928455 455193821 /nfs/dbraw/zinc/19/38/21/455193821.db2.gz NIAFBULVCLZCJP-YVEFUNNKSA-N 0 0 340.395 3.141 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 ZINC000180552470 455195640 /nfs/dbraw/zinc/19/56/40/455195640.db2.gz UIZXBGHBAWKGCJ-QMTHXVAHSA-N 0 0 345.380 3.027 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173555058 455304678 /nfs/dbraw/zinc/30/46/78/455304678.db2.gz SMAFJBVWBSFGAE-KRWDZBQOSA-N 0 0 327.384 3.230 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)cs1 ZINC000158528023 455310855 /nfs/dbraw/zinc/31/08/55/455310855.db2.gz QFNKQNDEULWXOQ-KRWDZBQOSA-N 0 0 330.409 3.330 10 5 EGBERN Cc1cccc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2Cl)c1C ZINC000265544662 455341504 /nfs/dbraw/zinc/34/15/04/455341504.db2.gz PNWLXUONXHPAMH-UHFFFAOYSA-N 0 0 348.790 3.335 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000265599463 455347515 /nfs/dbraw/zinc/34/75/15/455347515.db2.gz MBCUSHPYRFJAQA-UHFFFAOYSA-N 0 0 344.367 3.305 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000184182266 455359173 /nfs/dbraw/zinc/35/91/73/455359173.db2.gz DZKOUPHKOOIXPY-CQSZACIVSA-N 0 0 330.344 3.044 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000159818180 455406867 /nfs/dbraw/zinc/40/68/67/455406867.db2.gz XAPUEIRDQXEJQJ-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000191090586 455440484 /nfs/dbraw/zinc/44/04/84/455440484.db2.gz CGSZUFDZJDAQQE-JKGDOXCYSA-N 0 0 344.411 3.416 10 5 EGBERN O=[N+]([O-])c1ccc(SCc2noc(-c3ccccc3O)n2)nc1 ZINC000160232569 455441017 /nfs/dbraw/zinc/44/10/17/455441017.db2.gz INWSGJDXGILBTP-UHFFFAOYSA-N 0 0 330.325 3.038 10 5 EGBERN O=[N+]([O-])c1ccc(SCCCc2nc(-c3ccncc3)no2)nc1 ZINC000160253139 455442130 /nfs/dbraw/zinc/44/21/30/455442130.db2.gz SYWCJFDPNYMETF-UHFFFAOYSA-N 0 0 343.368 3.160 10 5 EGBERN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(Cc2ccccc2F)CC1 ZINC000191232191 455468879 /nfs/dbraw/zinc/46/88/79/455468879.db2.gz GGOZNHWLCQYHIR-UHFFFAOYSA-N 0 0 330.315 3.401 10 5 EGBERN COc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191578086 455500198 /nfs/dbraw/zinc/50/01/98/455500198.db2.gz XBDJJFNUIVCRQP-HZPDHXFCSA-N 0 0 340.379 3.445 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(F)(F)F)c2)n1 ZINC000191642534 455506316 /nfs/dbraw/zinc/50/63/16/455506316.db2.gz NDUDZBHXHDAXET-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN CCCn1ccc2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc21 ZINC000191647966 455507757 /nfs/dbraw/zinc/50/77/57/455507757.db2.gz HLRFLYJUXSMQSI-UHFFFAOYSA-N 0 0 341.371 3.428 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccccc3Cl)no2)n1 ZINC000191680527 455509338 /nfs/dbraw/zinc/50/93/38/455509338.db2.gz DVPMEMPOMFVRDO-UHFFFAOYSA-N 0 0 333.735 3.105 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC3CCCC3)c2)n1 ZINC000191955627 455534903 /nfs/dbraw/zinc/53/49/03/455534903.db2.gz KBBPICGDPAWQRG-UHFFFAOYSA-N 0 0 343.387 3.418 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161286688 455556010 /nfs/dbraw/zinc/55/60/10/455556010.db2.gz MPSWSLDLLYTFDK-YGRLFVJLSA-N 0 0 332.322 3.291 10 5 EGBERN O=C(NCCC1=CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182666092 455563853 /nfs/dbraw/zinc/56/38/53/455563853.db2.gz AZKZJBDJXIPQBL-UHFFFAOYSA-N 0 0 326.299 3.426 10 5 EGBERN CC[C@@H](NC(=O)N(C)[C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185599077 455583706 /nfs/dbraw/zinc/58/37/06/455583706.db2.gz MWXYGGJNKGLXIA-HZPDHXFCSA-N 0 0 337.420 3.094 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](CC(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000277557076 455597185 /nfs/dbraw/zinc/59/71/85/455597185.db2.gz YIMNTAFSRWRBBU-JTQLQIEISA-N 0 0 346.305 3.469 10 5 EGBERN Cc1cc(C)c(OC(=O)c2cnc(OCC3CC3)cn2)c([N+](=O)[O-])c1 ZINC000283907529 455610059 /nfs/dbraw/zinc/61/00/59/455610059.db2.gz PCCKRJNMFRHGJV-UHFFFAOYSA-N 0 0 343.339 3.010 10 5 EGBERN Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271419354 455630071 /nfs/dbraw/zinc/63/00/71/455630071.db2.gz PUVXJRQJXMWCCD-CQSZACIVSA-N 0 0 330.388 3.154 10 5 EGBERN Cc1sc(C(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000268288727 455641572 /nfs/dbraw/zinc/64/15/72/455641572.db2.gz QJSBEHPTLZLWJK-UHFFFAOYSA-N 0 0 340.430 3.044 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000192659039 455663838 /nfs/dbraw/zinc/66/38/38/455663838.db2.gz QSUKLSIBQZSHQA-QGZVFWFLSA-N 0 0 340.383 3.451 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000192739854 455682870 /nfs/dbraw/zinc/68/28/70/455682870.db2.gz JDZNEQQQGDJCJP-INIZCTEOSA-N 0 0 337.383 3.317 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H](C)O1 ZINC000277854041 455686748 /nfs/dbraw/zinc/68/67/48/455686748.db2.gz SXCJGAOWSKLCLD-BETUJISGSA-N 0 0 336.391 3.343 10 5 EGBERN COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000192806353 455697641 /nfs/dbraw/zinc/69/76/41/455697641.db2.gz LQEOSPRRDYTBTA-GFCCVEGCSA-N 0 0 347.371 3.184 10 5 EGBERN CC(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@@H](C)C1 ZINC000268844709 455715843 /nfs/dbraw/zinc/71/58/43/455715843.db2.gz YMMSSUHVKBYYCU-AWEZNQCLSA-N 0 0 347.418 3.081 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947815 455723701 /nfs/dbraw/zinc/72/37/01/455723701.db2.gz RVEQYQNCBZJIBL-CVEARBPZSA-N 0 0 341.415 3.251 10 5 EGBERN C[C@H](NC(=O)N[C@H](CCO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271707056 455728977 /nfs/dbraw/zinc/72/89/77/455728977.db2.gz IVIVVJAIZSZXIP-XJKSGUPXSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1nc([C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441265 455755632 /nfs/dbraw/zinc/75/56/32/455755632.db2.gz KBBJSCNPLNGMBP-JKSUJKDBSA-N 0 0 333.413 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1F ZINC000284916375 455760754 /nfs/dbraw/zinc/76/07/54/455760754.db2.gz NAFLVAZQAODNIA-OAHLLOKOSA-N 0 0 346.362 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1F ZINC000284916258 455760771 /nfs/dbraw/zinc/76/07/71/455760771.db2.gz MZRYAJFWZQHFQO-SECBINFHSA-N 0 0 334.269 3.457 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCOC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000269006566 455761189 /nfs/dbraw/zinc/76/11/89/455761189.db2.gz ZOTBQFNBDLAHPN-LBPRGKRZSA-N 0 0 334.372 3.203 10 5 EGBERN CCCN(C(=O)c1cc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC000194144134 455807350 /nfs/dbraw/zinc/80/73/50/455807350.db2.gz BJMPROOHRNJOBI-UHFFFAOYSA-N 0 0 332.312 3.031 10 5 EGBERN C[C@@H](Cc1nc(-c2ccccc2)no1)Nc1ncc([N+](=O)[O-])s1 ZINC000252508904 455817242 /nfs/dbraw/zinc/81/72/42/455817242.db2.gz XXCQWMGBZHQCPT-VIFPVBQESA-N 0 0 331.357 3.144 10 5 EGBERN O=C(NCCC1(O)CCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000285632333 455886366 /nfs/dbraw/zinc/88/63/66/455886366.db2.gz DXCKIHURAFLUTC-UHFFFAOYSA-N 0 0 336.391 3.129 10 5 EGBERN Cc1sc(C(=O)N[C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000270262059 455914896 /nfs/dbraw/zinc/91/48/96/455914896.db2.gz KDEVLZXGKQYIIS-GFCCVEGCSA-N 0 0 326.418 3.026 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345551 455920520 /nfs/dbraw/zinc/92/05/20/455920520.db2.gz PLRRJUSYWGNOAI-RYUDHWBXSA-N 0 0 334.376 3.187 10 5 EGBERN CC(C)c1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000195107207 455922452 /nfs/dbraw/zinc/92/24/52/455922452.db2.gz PLMYIIHUYQLVIB-UHFFFAOYSA-N 0 0 331.420 3.257 10 5 EGBERN CC(F)(F)c1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000187568958 455926832 /nfs/dbraw/zinc/92/68/32/455926832.db2.gz CROYGVQQRMGMGW-UHFFFAOYSA-N 0 0 335.310 3.418 10 5 EGBERN Cc1c(NC(=O)[C@H](C)Nc2cn(C)nc2C(C)C)cccc1[N+](=O)[O-] ZINC000280363700 455955723 /nfs/dbraw/zinc/95/57/23/455955723.db2.gz UDUWTTUVKQUAIG-LBPRGKRZSA-N 0 0 345.403 3.199 10 5 EGBERN O=c1[nH]c(NC[C@H]2CCCC(F)(F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000286344370 456028632 /nfs/dbraw/zinc/02/86/32/456028632.db2.gz GXWCXZCLRHIGJC-VIFPVBQESA-N 0 0 338.314 3.481 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000296966319 456077492 /nfs/dbraw/zinc/07/74/92/456077492.db2.gz WTLOOASUUUYSTA-OCCSQVGLSA-N 0 0 341.314 3.112 10 5 EGBERN COc1cc(NCc2cnn(Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000301328382 456091288 /nfs/dbraw/zinc/09/12/88/456091288.db2.gz AHXJLEVKQGGSSE-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccn1 ZINC000227652932 456117135 /nfs/dbraw/zinc/11/71/35/456117135.db2.gz POXICRXNENAECM-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301485696 456127616 /nfs/dbraw/zinc/12/76/16/456127616.db2.gz WXURHNDHYIEIAA-IUCAKERBSA-N 0 0 331.294 3.070 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCc2ccccc2C1 ZINC000601112689 460714757 /nfs/dbraw/zinc/71/47/57/460714757.db2.gz AIIODBYGJKSKKB-UHFFFAOYSA-N 0 0 340.305 3.300 10 5 EGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301493541 456129599 /nfs/dbraw/zinc/12/95/99/456129599.db2.gz QTRZKJZDLZIAMQ-GDBMZVCRSA-N 0 0 333.413 3.202 10 5 EGBERN CO[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000231683021 456142718 /nfs/dbraw/zinc/14/27/18/456142718.db2.gz JYEYEJKACGNZDI-RKDXNWHRSA-N 0 0 330.182 3.040 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]1c1cccc(F)c1 ZINC000601122127 460718449 /nfs/dbraw/zinc/71/84/49/460718449.db2.gz YGQWYOJHQMJCTK-SNVBAGLBSA-N 0 0 344.268 3.438 10 5 EGBERN Cc1noc(C)c1[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116223 460716307 /nfs/dbraw/zinc/71/63/07/460716307.db2.gz IQJRYNIAXJSKSD-RXMQYKEDSA-N 0 0 333.270 3.125 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000301661716 456177381 /nfs/dbraw/zinc/17/73/81/456177381.db2.gz MUKGOQHFSZHYBT-OWHJVJKUSA-N 0 0 346.383 3.151 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C12CCC2 ZINC000601119714 460717804 /nfs/dbraw/zinc/71/78/04/460717804.db2.gz VVZQQOUZVMXPAB-DTWKUNHWSA-N 0 0 348.325 3.107 10 5 EGBERN COC(=O)c1cc(N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000301673357 456182366 /nfs/dbraw/zinc/18/23/66/456182366.db2.gz RHBYPEUJGHSMPD-AWEZNQCLSA-N 0 0 348.380 3.021 10 5 EGBERN C[C@@H](Cc1ccccc1F)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301687277 456185997 /nfs/dbraw/zinc/18/59/97/456185997.db2.gz MEXLESGMCXBDQW-JTQLQIEISA-N 0 0 345.330 3.108 10 5 EGBERN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301707349 456193106 /nfs/dbraw/zinc/19/31/06/456193106.db2.gz SUAYRYBVNOJNOD-JTQLQIEISA-N 0 0 348.790 3.348 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000297356566 456197076 /nfs/dbraw/zinc/19/70/76/456197076.db2.gz BSGPORKUXJUWHQ-ABAIWWIYSA-N 0 0 342.355 3.157 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)OCc1ccccc12 ZINC000601130751 460723258 /nfs/dbraw/zinc/72/32/58/460723258.db2.gz YPUZZUNLGRHZRO-UHFFFAOYSA-N 0 0 329.331 3.155 10 5 EGBERN CO[C@@H]1CCC[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000301771568 456211135 /nfs/dbraw/zinc/21/11/35/456211135.db2.gz JRQXMQSEMZSXJY-UONOGXRCSA-N 0 0 335.404 3.103 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1ncc[nH]1 ZINC000263772944 456219158 /nfs/dbraw/zinc/21/91/58/456219158.db2.gz SZVWBSAAFVKHDO-HNNXBMFYSA-N 0 0 339.355 3.167 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000297478730 456229744 /nfs/dbraw/zinc/22/97/44/456229744.db2.gz JLRRULKKVPUJKK-UHFFFAOYSA-N 0 0 328.390 3.007 10 5 EGBERN CCc1nn(C)c(CC)c1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301847425 456231829 /nfs/dbraw/zinc/23/18/29/456231829.db2.gz NHCCBIMVEAXKIA-UHFFFAOYSA-N 0 0 336.367 3.213 10 5 EGBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301857921 456235351 /nfs/dbraw/zinc/23/53/51/456235351.db2.gz SATIZCXAMJJINI-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN COc1cccc(C(C)(C)CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301946819 456257393 /nfs/dbraw/zinc/25/73/93/456257393.db2.gz HIXLHXRQECOPJG-UHFFFAOYSA-N 0 0 341.371 3.036 10 5 EGBERN COc1ccc2c(c1)OC[C@@H](Nc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000301981247 456263869 /nfs/dbraw/zinc/26/38/69/456263869.db2.gz XXXUNPZOWIVRGG-NSHDSACASA-N 0 0 348.330 3.167 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301991286 456266684 /nfs/dbraw/zinc/26/66/84/456266684.db2.gz MPFWFVMHOPXARZ-ZIAGYGMSSA-N 0 0 337.383 3.328 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302019511 456270273 /nfs/dbraw/zinc/27/02/73/456270273.db2.gz ZZHCSMJFUCJYRM-OAHLLOKOSA-N 0 0 339.399 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1nc(C(F)(F)F)cs1 ZINC000302022987 456270547 /nfs/dbraw/zinc/27/05/47/456270547.db2.gz GMQIXTYYFGDYBI-UHFFFAOYSA-N 0 0 347.318 3.217 10 5 EGBERN CC(C)(CCC(=O)N(Cc1ccccc1)c1ccncc1)[N+](=O)[O-] ZINC000297674151 456274092 /nfs/dbraw/zinc/27/40/92/456274092.db2.gz GEILUIBBAZPHEQ-UHFFFAOYSA-N 0 0 327.384 3.450 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000302077006 456280676 /nfs/dbraw/zinc/28/06/76/456280676.db2.gz YPAJCKYCCSFUPO-CQSZACIVSA-N 0 0 345.374 3.307 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@](C)(COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000297828486 456303912 /nfs/dbraw/zinc/30/39/12/456303912.db2.gz GKYTZKODNGWSAO-NVXWUHKLSA-N 0 0 335.404 3.114 10 5 EGBERN COC(=O)c1cc(N2CCC([C@@H]3CCCO3)CC2)cc(C)c1[N+](=O)[O-] ZINC000275780398 456311553 /nfs/dbraw/zinc/31/15/53/456311553.db2.gz BIXIKAKWZSRYRV-INIZCTEOSA-N 0 0 348.399 3.085 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000275782849 456311950 /nfs/dbraw/zinc/31/19/50/456311950.db2.gz JSWKOUHXSNZAHU-HOCLYGCPSA-N 0 0 338.791 3.244 10 5 EGBERN CCC1(CC)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[S@]1=O ZINC000302227267 456323705 /nfs/dbraw/zinc/32/37/05/456323705.db2.gz UMEWWGZUYPPXTO-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN Cc1csc(NC2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000302280422 456330544 /nfs/dbraw/zinc/33/05/44/456330544.db2.gz URPFXZPRZCCLDK-UHFFFAOYSA-N 0 0 333.417 3.144 10 5 EGBERN COc1ccc(F)cc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601147392 460730771 /nfs/dbraw/zinc/73/07/71/460730771.db2.gz MHIBEKUGTFDXEN-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN CC(C)(C)c1nc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601149822 460731869 /nfs/dbraw/zinc/73/18/69/460731869.db2.gz PZQIPKCTZDTRMC-KRWDZBQOSA-N 0 0 349.456 3.346 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nc(C(C)C)no1 ZINC000340352521 456407939 /nfs/dbraw/zinc/40/79/39/456407939.db2.gz YANBAPFKGWFNCU-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN O=C(CCCNc1cccc(F)c1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000302827314 456411188 /nfs/dbraw/zinc/41/11/88/456411188.db2.gz NLOYKRXETOJBAC-UHFFFAOYSA-N 0 0 343.358 3.468 10 5 EGBERN COc1ccc(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1O ZINC000276225672 456417770 /nfs/dbraw/zinc/41/77/70/456417770.db2.gz LSGHQSJVRAMKAP-UHFFFAOYSA-N 0 0 336.319 3.093 10 5 EGBERN COc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329647 456427026 /nfs/dbraw/zinc/42/70/26/456427026.db2.gz RKVHOONAFHRSQM-KGLIPLIRSA-N 0 0 330.306 3.220 10 5 EGBERN COc1cc(NCc2ccn(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000343142447 456432017 /nfs/dbraw/zinc/43/20/17/456432017.db2.gz SUZGXTRXRCZNJJ-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000340392430 456434292 /nfs/dbraw/zinc/43/42/92/456434292.db2.gz MMOUOIBBLPJTGL-QGZVFWFLSA-N 0 0 343.408 3.349 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)c1OC ZINC000340612084 456570659 /nfs/dbraw/zinc/57/06/59/456570659.db2.gz YLRRNYUJDMJYLR-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000348256143 456575297 /nfs/dbraw/zinc/57/52/97/456575297.db2.gz SDFNCIPRNHOTCO-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000340620555 456577227 /nfs/dbraw/zinc/57/72/27/456577227.db2.gz ISGKWXZVGROOGA-YOEHRIQHSA-N 0 0 349.431 3.027 10 5 EGBERN CCOc1ccc(-c2nc(Cc3cccnc3)no2)cc1[N+](=O)[O-] ZINC000340652735 456601651 /nfs/dbraw/zinc/60/16/51/456601651.db2.gz APPLWNKKDWZCHG-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN Cc1sccc1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000348314187 456616781 /nfs/dbraw/zinc/61/67/81/456616781.db2.gz HTNLRFAQKMQAFI-UHFFFAOYSA-N 0 0 348.380 3.307 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000353482888 456705853 /nfs/dbraw/zinc/70/58/53/456705853.db2.gz PEJJTQHMVLNQOH-VXGBXAGGSA-N 0 0 330.306 3.232 10 5 EGBERN COC(=O)c1cc(NCc2sc(C)nc2C)cc(C)c1[N+](=O)[O-] ZINC000277177226 456710508 /nfs/dbraw/zinc/71/05/08/456710508.db2.gz VAJMXRXSBWXDDX-UHFFFAOYSA-N 0 0 335.385 3.375 10 5 EGBERN CC[C@H](C)Oc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301108139 456798554 /nfs/dbraw/zinc/79/85/54/456798554.db2.gz RBAMFISYCLSLBP-JTQLQIEISA-N 0 0 330.344 3.010 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](CC(F)(F)F)C1 ZINC000277388799 456804726 /nfs/dbraw/zinc/80/47/26/456804726.db2.gz DFDQPOZYDIQWRE-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN Cn1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C2CC2)n1 ZINC000291959766 456811734 /nfs/dbraw/zinc/81/17/34/456811734.db2.gz CLZHWSQGOKBLJD-UHFFFAOYSA-N 0 0 349.778 3.181 10 5 EGBERN CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000291986202 456820439 /nfs/dbraw/zinc/82/04/39/456820439.db2.gz UFYYEUSYDXXBEC-LLVKDONJSA-N 0 0 327.768 3.279 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000344416439 456827584 /nfs/dbraw/zinc/82/75/84/456827584.db2.gz JEBNUZKFHUCEMO-CQSZACIVSA-N 0 0 327.340 3.103 10 5 EGBERN CCS[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000301236977 456829800 /nfs/dbraw/zinc/82/98/00/456829800.db2.gz MNNIDXCBMWQCIY-ZDUSSCGKSA-N 0 0 338.429 3.493 10 5 EGBERN CC[C@H]1NC(=O)N(c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000348729921 456832712 /nfs/dbraw/zinc/83/27/12/456832712.db2.gz MXKGMXXHLTVZLH-OAHLLOKOSA-N 0 0 341.323 3.222 10 5 EGBERN CCc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000341327262 456849363 /nfs/dbraw/zinc/84/93/63/456849363.db2.gz GORVJJJFTNAVMD-UHFFFAOYSA-N 0 0 340.351 3.356 10 5 EGBERN NC(=O)c1ccc(CN(Cc2csc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000292098724 456854711 /nfs/dbraw/zinc/85/47/11/456854711.db2.gz GDVBQBUJWYTZRM-UHFFFAOYSA-N 0 0 349.387 3.059 10 5 EGBERN CC(C)Oc1ncccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341487504 456868739 /nfs/dbraw/zinc/86/87/39/456868739.db2.gz XZBAGOOWOHXLMF-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(Nc1ncn(C2CCCCC2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344966935 456881425 /nfs/dbraw/zinc/88/14/25/456881425.db2.gz CEZWQZSXVDUWEE-UHFFFAOYSA-N 0 0 333.323 3.083 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000348910913 456887129 /nfs/dbraw/zinc/88/71/29/456887129.db2.gz XEZCFHNUPDKTJQ-WDEREUQCSA-N 0 0 342.399 3.026 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000339078335 456929436 /nfs/dbraw/zinc/92/94/36/456929436.db2.gz SSNIRGTXFLDKJQ-BONVTDFDSA-N 0 0 330.315 3.028 10 5 EGBERN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000339088697 456935486 /nfs/dbraw/zinc/93/54/86/456935486.db2.gz ZXCNSCVKAJDHQL-PZROIBLQSA-N 0 0 328.368 3.343 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341779946 456941276 /nfs/dbraw/zinc/94/12/76/456941276.db2.gz VGHAMZYJUGTZII-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1ccsc1 ZINC000353910579 456962475 /nfs/dbraw/zinc/96/24/75/456962475.db2.gz DHLKVQNALXBVGI-AWEZNQCLSA-N 0 0 335.385 3.074 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356483534 457014422 /nfs/dbraw/zinc/01/44/22/457014422.db2.gz UBVTVDTZRJHDJR-NVXWUHKLSA-N 0 0 346.408 3.433 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc4c(c3)CCC4)no2)n1 ZINC000354049447 457032867 /nfs/dbraw/zinc/03/28/67/457032867.db2.gz NKDRJRAXORZQRE-UHFFFAOYSA-N 0 0 325.328 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccccc2)n1 ZINC000342039852 457074868 /nfs/dbraw/zinc/07/48/68/457074868.db2.gz LKQZVKDJXXKBBV-AWEZNQCLSA-N 0 0 328.372 3.179 10 5 EGBERN O=[N+]([O-])c1cnn(Cc2nc(-c3ccc4sccc4c3)no2)c1 ZINC000356601341 457077668 /nfs/dbraw/zinc/07/76/68/457077668.db2.gz YEMJFOWTSYMSPZ-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN Cc1cc(OCc2nc([C@@H]3CCO[C@@H](C)C3)no2)ccc1[N+](=O)[O-] ZINC000346654330 457094083 /nfs/dbraw/zinc/09/40/83/457094083.db2.gz SXLWEMXDSRSZSW-NWDGAFQWSA-N 0 0 333.344 3.148 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000362809624 457105117 /nfs/dbraw/zinc/10/51/17/457105117.db2.gz TVHFUUFVRWJLBH-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000362871494 457135608 /nfs/dbraw/zinc/13/56/08/457135608.db2.gz BAPWOFJXWGHRKZ-RHSMWYFYSA-N 0 0 342.395 3.074 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCOC1 ZINC000346734642 457137544 /nfs/dbraw/zinc/13/75/44/457137544.db2.gz XBADXGDHLNRBNV-CYBMUJFWSA-N 0 0 338.429 3.348 10 5 EGBERN Cc1ccncc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000359932277 457155094 /nfs/dbraw/zinc/15/50/94/457155094.db2.gz NVDCXDGZXSTFAJ-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN Cn1nc2c(c1CNc1ccc([N+](=O)[O-])c3cnccc13)CCCC2 ZINC000359970535 457178490 /nfs/dbraw/zinc/17/84/90/457178490.db2.gz ZDQVOIZVUZUANY-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN CC(C)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000346903862 457188471 /nfs/dbraw/zinc/18/84/71/457188471.db2.gz ARKOOMKXCYGROE-ZDUSSCGKSA-N 0 0 333.310 3.100 10 5 EGBERN COC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342339200 457244469 /nfs/dbraw/zinc/24/44/69/457244469.db2.gz HHOKGQCIDNEBOO-HNNXBMFYSA-N 0 0 334.347 3.220 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000360093604 457251771 /nfs/dbraw/zinc/25/17/71/457251771.db2.gz NJFRJJBBIWZFRA-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000342362401 457255783 /nfs/dbraw/zinc/25/57/83/457255783.db2.gz SWKWKYSWAYEGFG-LLVKDONJSA-N 0 0 329.360 3.137 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000360101568 457256888 /nfs/dbraw/zinc/25/68/88/457256888.db2.gz LTWBOZCDYTZHGB-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000347160668 457262937 /nfs/dbraw/zinc/26/29/37/457262937.db2.gz SSACYSHRTAYEGB-SNVBAGLBSA-N 0 0 345.346 3.030 10 5 EGBERN Cc1ccc(Cl)c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)nc12 ZINC000354530721 457272655 /nfs/dbraw/zinc/27/26/55/457272655.db2.gz WADZNFDZAPIKQL-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202325 457286390 /nfs/dbraw/zinc/28/63/90/457286390.db2.gz ZDLZEAMNLFJYJL-LBPRGKRZSA-N 0 0 345.403 3.299 10 5 EGBERN CN(CCc1cccc(Br)c1)c1ccncc1[N+](=O)[O-] ZINC000360226679 457296565 /nfs/dbraw/zinc/29/65/65/457296565.db2.gz YHJOELHTKNRXJR-UHFFFAOYSA-N 0 0 336.189 3.431 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000360257626 457298270 /nfs/dbraw/zinc/29/82/70/457298270.db2.gz LOBVZSUILWUBGG-GXFFZTMASA-N 0 0 326.418 3.021 10 5 EGBERN C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000342470089 457321276 /nfs/dbraw/zinc/32/12/76/457321276.db2.gz HMAJMNGLXLPKKR-CYBMUJFWSA-N 0 0 338.367 3.212 10 5 EGBERN COc1ccc(F)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000342480651 457327536 /nfs/dbraw/zinc/32/75/36/457327536.db2.gz NPPMSZLORLYEMO-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000347308375 457344187 /nfs/dbraw/zinc/34/41/87/457344187.db2.gz WGQGTUPWQMDCMT-MRXNPFEDSA-N 0 0 338.791 3.199 10 5 EGBERN Cc1sc(S(=O)(=O)N2Cc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000342575037 457374327 /nfs/dbraw/zinc/37/43/27/457374327.db2.gz VOHXIWYAVNFCBI-SECBINFHSA-N 0 0 338.410 3.230 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccc4)[nH]n3)n2)nc1 ZINC000357325801 457447322 /nfs/dbraw/zinc/44/73/22/457447322.db2.gz CVZFQPUASSTQQL-UHFFFAOYSA-N 0 0 348.322 3.021 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C/c4cnccn4)n3)c2c1 ZINC000357399222 457496080 /nfs/dbraw/zinc/49/60/80/457496080.db2.gz IWEIRWBWWXULKL-DAFODLJHSA-N 0 0 348.322 3.010 10 5 EGBERN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361000303 457499996 /nfs/dbraw/zinc/49/99/96/457499996.db2.gz ACPWPZBJTKMASM-ZDUSSCGKSA-N 0 0 329.331 3.228 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-n2cccc2)ccn1 ZINC000361025500 457522720 /nfs/dbraw/zinc/52/27/20/457522720.db2.gz BNKNSDWJMCGSDO-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN Cc1cc(CN(C)Cc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000425386592 457530799 /nfs/dbraw/zinc/53/07/99/457530799.db2.gz RXYPEXFYNFXGSJ-UHFFFAOYSA-N 0 0 340.177 3.286 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H]1C ZINC000361059129 457553643 /nfs/dbraw/zinc/55/36/43/457553643.db2.gz DWFOFYGHQGHNNZ-STQMWFEESA-N 0 0 325.368 3.499 10 5 EGBERN C[C@H]1c2ccccc2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060812 457555377 /nfs/dbraw/zinc/55/53/77/457555377.db2.gz XYCSMSYPCVSLCL-ZDUSSCGKSA-N 0 0 337.379 3.061 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](C2CCCCC2)C1 ZINC000408196697 457563790 /nfs/dbraw/zinc/56/37/90/457563790.db2.gz DWMFAGBQNRCCOI-AWEZNQCLSA-N 0 0 325.796 3.429 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])c1ccnc(C(F)(F)F)c1 ZINC000361085700 457573957 /nfs/dbraw/zinc/57/39/57/457573957.db2.gz FWFFGVIOPSNNEC-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN Cc1sc(C(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000357597053 457613952 /nfs/dbraw/zinc/61/39/52/457613952.db2.gz HIHHQUMKTWCOQJ-UHFFFAOYSA-N 0 0 333.413 3.221 10 5 EGBERN C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000425632616 457618404 /nfs/dbraw/zinc/61/84/04/457618404.db2.gz ROCWGCMMRLJTKM-SWLSCSKDSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(COCc2ccccc2)no1 ZINC000356425917 457620713 /nfs/dbraw/zinc/62/07/13/457620713.db2.gz OBQXFJIYYNAUNB-UHFFFAOYSA-N 0 0 326.312 3.065 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374516441 457647302 /nfs/dbraw/zinc/64/73/02/457647302.db2.gz XUJOVIHFYCGNHU-SFHVURJKSA-N 0 0 328.343 3.235 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000364660544 457668267 /nfs/dbraw/zinc/66/82/67/457668267.db2.gz QVOKMEZBJHTNNH-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1nn(C)c(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000370542371 457669921 /nfs/dbraw/zinc/66/99/21/457669921.db2.gz AAADBZSAMQFYLT-JTQLQIEISA-N 0 0 332.326 3.196 10 5 EGBERN COc1cc(-c2nc(CC3CCC(OC)CC3)no2)ccc1[N+](=O)[O-] ZINC000357732705 457672362 /nfs/dbraw/zinc/67/23/62/457672362.db2.gz SQNUEBGENMPAPN-UHFFFAOYSA-N 0 0 347.371 3.401 10 5 EGBERN Cc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374665245 457683691 /nfs/dbraw/zinc/68/36/91/457683691.db2.gz URLGJDFXGCBRNI-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374700055 457690602 /nfs/dbraw/zinc/69/06/02/457690602.db2.gz MQDSKUMEQAGAPU-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC(F)(F)C[C@H]2CO)o1 ZINC000364845418 457704084 /nfs/dbraw/zinc/70/40/84/457704084.db2.gz QMNZCJDXLSAMNP-NSHDSACASA-N 0 0 338.310 3.057 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3c[nH]cn3)CC2)cc1OC(F)F ZINC000364907967 457717006 /nfs/dbraw/zinc/71/70/06/457717006.db2.gz ZCNLIHRBUZSSGO-UHFFFAOYSA-N 0 0 338.314 3.303 10 5 EGBERN CCc1nc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000370946149 457741996 /nfs/dbraw/zinc/74/19/96/457741996.db2.gz CDPBCMJEBARCJL-ZDUSSCGKSA-N 0 0 348.334 3.047 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000410741797 457748910 /nfs/dbraw/zinc/74/89/10/457748910.db2.gz RMQIZRNCGXVQKI-KXUCPTDWSA-N 0 0 346.305 3.252 10 5 EGBERN Cc1cc(Cn2cc([N+](=O)[O-])c(C)cc2=O)ccc1Br ZINC000443473043 457769477 /nfs/dbraw/zinc/76/94/77/457769477.db2.gz HBOKDRBNUVFOIR-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(OCc3ccccn3)cc2)s1 ZINC000443505968 457772004 /nfs/dbraw/zinc/77/20/04/457772004.db2.gz BDIVUBOHAGQWCF-UHFFFAOYSA-N 0 0 342.380 3.059 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C3(C)CC3)CC2)cc1OC ZINC000411060842 457789845 /nfs/dbraw/zinc/78/98/45/457789845.db2.gz HOXNMHZSCWMYIB-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000433273101 457796006 /nfs/dbraw/zinc/79/60/06/457796006.db2.gz YUFKYKGYQSREQG-BLLLJJGKSA-N 0 0 345.399 3.137 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@H](CCOC)C2)cc1[N+](=O)[O-] ZINC000375126900 457802676 /nfs/dbraw/zinc/80/26/76/457802676.db2.gz QITFDUVYKFGELM-CQSZACIVSA-N 0 0 334.416 3.436 10 5 EGBERN O=C(N[C@H]1CCCC(F)(F)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426620865 457862674 /nfs/dbraw/zinc/86/26/74/457862674.db2.gz XIKOYZKODRJCNE-ZDUSSCGKSA-N 0 0 339.342 3.240 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000366606289 457867153 /nfs/dbraw/zinc/86/71/53/457867153.db2.gz YVCMZUNFVSOXLD-CQSZACIVSA-N 0 0 349.394 3.295 10 5 EGBERN COC(=O)c1nc(NCCCCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000433755386 457877088 /nfs/dbraw/zinc/87/70/88/457877088.db2.gz FNXVIDNSEWXLHM-UHFFFAOYSA-N 0 0 349.412 3.003 10 5 EGBERN CCOC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000458067942 457920708 /nfs/dbraw/zinc/92/07/08/457920708.db2.gz ISJKGFAHEWVLID-CYBMUJFWSA-N 0 0 331.372 3.107 10 5 EGBERN COC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000427047545 457938180 /nfs/dbraw/zinc/93/81/80/457938180.db2.gz WIZTVWHPLQSDFG-UHFFFAOYSA-N 0 0 326.780 3.183 10 5 EGBERN COc1cc(CNc2ccccc2N(C)C(C)=O)c([N+](=O)[O-])cc1F ZINC000361903259 457945068 /nfs/dbraw/zinc/94/50/68/457945068.db2.gz DXQMZIGYRLPYHF-UHFFFAOYSA-N 0 0 347.346 3.337 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000444711607 457950160 /nfs/dbraw/zinc/95/01/60/457950160.db2.gz XMNWDUGRAPJABZ-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000434144196 457952321 /nfs/dbraw/zinc/95/23/21/457952321.db2.gz BBXUSTXFTBGZFY-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1c(CC(=O)NC2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000458175585 457956678 /nfs/dbraw/zinc/95/66/78/457956678.db2.gz DZGYIWCGNBLRAT-UHFFFAOYSA-N 0 0 326.343 3.386 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427252321 457967450 /nfs/dbraw/zinc/96/74/50/457967450.db2.gz GPMSIJZDNFHUOK-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411741973 457967409 /nfs/dbraw/zinc/96/74/09/457967409.db2.gz DFMATVLAKZTGKE-DLBZAZTESA-N 0 0 338.363 3.296 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000411757848 457972854 /nfs/dbraw/zinc/97/28/54/457972854.db2.gz MWNGBDLCYGUCFR-VIFPVBQESA-N 0 0 338.314 3.027 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2c[nH]cn2)CC1 ZINC000434304202 457974880 /nfs/dbraw/zinc/97/48/80/457974880.db2.gz DQFIPQGPMPADMS-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN O=C(NC1CCC2(CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434331876 457978016 /nfs/dbraw/zinc/97/80/16/457978016.db2.gz CYVBENCTXXTWJK-UHFFFAOYSA-N 0 0 329.400 3.385 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3ccncn3)C2)ccc1Cl ZINC000361958404 457978546 /nfs/dbraw/zinc/97/85/46/457978546.db2.gz YRMPTXCIWZPKHA-CYBMUJFWSA-N 0 0 332.791 3.418 10 5 EGBERN CCCc1n[nH]c(C(=O)N(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000434343476 457979814 /nfs/dbraw/zinc/97/98/14/457979814.db2.gz GXOAJUHPCFOSIZ-UHFFFAOYSA-N 0 0 330.388 3.159 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000458243865 457985186 /nfs/dbraw/zinc/98/51/86/457985186.db2.gz CSUWQQVPGPSLHR-UHFFFAOYSA-N 0 0 334.763 3.251 10 5 EGBERN Cn1cc(-c2cc(COc3ccc(Cl)c([N+](=O)[O-])c3)on2)cn1 ZINC000367930610 457998292 /nfs/dbraw/zinc/99/82/92/457998292.db2.gz ZJEPILSNEPPDKO-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458329951 458015189 /nfs/dbraw/zinc/01/51/89/458015189.db2.gz IYIYBSAMAJQRIE-UWVGGRQHSA-N 0 0 344.845 3.057 10 5 EGBERN Cc1n[nH]c(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1[N+](=O)[O-] ZINC000427829578 458041041 /nfs/dbraw/zinc/04/10/41/458041041.db2.gz SEZGTRYZXVFLBU-UHFFFAOYSA-N 0 0 346.309 3.011 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000434772936 458048909 /nfs/dbraw/zinc/04/89/09/458048909.db2.gz IONSZUGFSHSVFI-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000445574916 458064787 /nfs/dbraw/zinc/06/47/87/458064787.db2.gz BNKVRMNLQAHHKR-QWRGUYRKSA-N 0 0 345.746 3.303 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1C[C@@H](OC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458484338 458066086 /nfs/dbraw/zinc/06/60/86/458066086.db2.gz BMAPZOMZWOETQP-IMJJTQAJSA-N 0 0 335.404 3.301 10 5 EGBERN C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000428014644 458066634 /nfs/dbraw/zinc/06/66/34/458066634.db2.gz APPJQCAKSGUMTG-ZDUSSCGKSA-N 0 0 343.383 3.170 10 5 EGBERN Cc1ccccc1CN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362292959 458087474 /nfs/dbraw/zinc/08/74/74/458087474.db2.gz ZXFPSRXELLBAJE-UHFFFAOYSA-N 0 0 334.322 3.383 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C)ccc2C)c1 ZINC000428214554 458098303 /nfs/dbraw/zinc/09/83/03/458098303.db2.gz DFCHEWADUGEHCI-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1cnc([C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000428245911 458107126 /nfs/dbraw/zinc/10/71/26/458107126.db2.gz XMJIIHSKNOEJRQ-CQSZACIVSA-N 0 0 342.399 3.298 10 5 EGBERN COCC[C@H](COC)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000362345998 458117753 /nfs/dbraw/zinc/11/77/53/458117753.db2.gz RXEKXFOPFLMHIH-OAHLLOKOSA-N 0 0 338.407 3.169 10 5 EGBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000445978175 458123971 /nfs/dbraw/zinc/12/39/71/458123971.db2.gz SEPMDMOBIKKAJT-QLFBSQMISA-N 0 0 349.431 3.125 10 5 EGBERN COc1cc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc([N+](=O)[O-])c1C ZINC000358650407 458129472 /nfs/dbraw/zinc/12/94/72/458129472.db2.gz RQGUNTUZDUVJPA-QGZVFWFLSA-N 0 0 341.367 3.188 10 5 EGBERN COc1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000446081607 458143293 /nfs/dbraw/zinc/14/32/93/458143293.db2.gz BRDZTGWBTPBVJZ-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000372010002 458159745 /nfs/dbraw/zinc/15/97/45/458159745.db2.gz MDHNXCCDQMTLAJ-CYBMUJFWSA-N 0 0 345.786 3.491 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446333352 458179155 /nfs/dbraw/zinc/17/91/55/458179155.db2.gz RHRYVWMGNRNFTL-SNVBAGLBSA-N 0 0 349.774 3.451 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC([C@H](F)c3ccccc3F)CC2)nc1 ZINC000376188258 458227940 /nfs/dbraw/zinc/22/79/40/458227940.db2.gz OOZXSKZFICVCEL-HNNXBMFYSA-N 0 0 334.326 3.451 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446899732 458243216 /nfs/dbraw/zinc/24/32/16/458243216.db2.gz UFOFOAXZBLMMKR-UTUOFQBUSA-N 0 0 345.403 3.047 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N[C@H](c2nc[nH]n2)c2ccccc2)c(F)c1 ZINC000372268146 458256191 /nfs/dbraw/zinc/25/61/91/458256191.db2.gz OXBDKYAWFBGHIU-ZDUSSCGKSA-N 0 0 331.282 3.193 10 5 EGBERN O=C(NCc1cscn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436229813 458272277 /nfs/dbraw/zinc/27/22/77/458272277.db2.gz GBYKNAXHBWRKCO-UHFFFAOYSA-N 0 0 335.388 3.068 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@H](OC)C1 ZINC000447799633 458342988 /nfs/dbraw/zinc/34/29/88/458342988.db2.gz KQBZTXYLAZXLPX-SCZZXKLOSA-N 0 0 328.752 3.014 10 5 EGBERN C[C@@H](C1CCCCC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447849209 458356024 /nfs/dbraw/zinc/35/60/24/458356024.db2.gz OYMSVQZEFUYDMN-ZDUSSCGKSA-N 0 0 340.445 3.325 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000430214509 458422727 /nfs/dbraw/zinc/42/27/27/458422727.db2.gz ZRHVEYOTAYTAJP-INIZCTEOSA-N 0 0 332.404 3.214 10 5 EGBERN Cc1n[nH]c(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000437111863 458427360 /nfs/dbraw/zinc/42/73/60/458427360.db2.gz CHLXMKLLZFONAU-AWEZNQCLSA-N 0 0 348.378 3.105 10 5 EGBERN CCC(=O)c1ccc(N2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000373545840 458527689 /nfs/dbraw/zinc/52/76/89/458527689.db2.gz GITWRFJNJAMDJB-CQSZACIVSA-N 0 0 340.383 3.362 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000431109452 458531667 /nfs/dbraw/zinc/53/16/67/458531667.db2.gz WUFUVZOPMCVBCR-SNVBAGLBSA-N 0 0 328.315 3.159 10 5 EGBERN Cc1c(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470631221 458641915 /nfs/dbraw/zinc/64/19/15/458641915.db2.gz FOTRTSVGPRDERV-JQWIXIFHSA-N 0 0 330.306 3.245 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000432133646 458687426 /nfs/dbraw/zinc/68/74/26/458687426.db2.gz OIHBYTVZLUKXRY-CJNGLKHVSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(-n3cncn3)cc2)n1 ZINC000547110765 458699137 /nfs/dbraw/zinc/69/91/37/458699137.db2.gz JDSYOJGKAQHOMP-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000456513384 458699650 /nfs/dbraw/zinc/69/96/50/458699650.db2.gz SOVCDPYGFCEFJH-QMTHXVAHSA-N 0 0 348.380 3.012 10 5 EGBERN CO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000456648867 458740530 /nfs/dbraw/zinc/74/05/30/458740530.db2.gz QOYXQYWOJXQSQN-CVEARBPZSA-N 0 0 343.383 3.106 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000432636342 458764944 /nfs/dbraw/zinc/76/49/44/458764944.db2.gz XSPHAOINBZSTPG-ZDUSSCGKSA-N 0 0 327.384 3.341 10 5 EGBERN COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000530518131 458782908 /nfs/dbraw/zinc/78/29/08/458782908.db2.gz QDBHZCXTAZPMMM-UHFFFAOYSA-N 0 0 343.383 3.057 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000547865135 458809001 /nfs/dbraw/zinc/80/90/01/458809001.db2.gz IVXQWZCMDAEAPH-MRXNPFEDSA-N 0 0 340.383 3.315 10 5 EGBERN CCC1CCC(NCc2csc([N+](=O)[O-])c2)(C(=O)OC)CC1 ZINC000440915387 458864209 /nfs/dbraw/zinc/86/42/09/458864209.db2.gz KXXHWCGOCZFODH-UHFFFAOYSA-N 0 0 326.418 3.258 10 5 EGBERN Cc1ccc(-c2cnc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)o2)cc1 ZINC000474333877 458877283 /nfs/dbraw/zinc/87/72/83/458877283.db2.gz ALCRLVJNYSWZHA-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN COc1ccc2occ(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c2c1 ZINC000441061943 458883126 /nfs/dbraw/zinc/88/31/26/458883126.db2.gz HLDAXBLYCVFEEY-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN C[C@H](CC(C)(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000475375385 458940638 /nfs/dbraw/zinc/94/06/38/458940638.db2.gz TVMSKSBMOITMGE-CQSZACIVSA-N 0 0 333.432 3.316 10 5 EGBERN Cc1cnc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000531605290 458943520 /nfs/dbraw/zinc/94/35/20/458943520.db2.gz QNWVJCYJGGMYOZ-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628390 458947673 /nfs/dbraw/zinc/94/76/73/458947673.db2.gz YBKVTRNEUWDVII-HOCLYGCPSA-N 0 0 325.368 3.131 10 5 EGBERN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628097 458948014 /nfs/dbraw/zinc/94/80/14/458948014.db2.gz FCJUXLCOIWPWFN-MRXNPFEDSA-N 0 0 329.331 3.400 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOc2ccnc(C(F)(F)F)c2)cc1 ZINC000556343448 458951257 /nfs/dbraw/zinc/95/12/57/458951257.db2.gz BUEVOUMEFSSDQM-UHFFFAOYSA-N 0 0 328.246 3.466 10 5 EGBERN CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000475647706 458956003 /nfs/dbraw/zinc/95/60/03/458956003.db2.gz MCYWUBAMVQUSIF-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCCC2 ZINC000531877581 458992216 /nfs/dbraw/zinc/99/22/16/458992216.db2.gz GMTQNWKLIWJMDI-UHFFFAOYSA-N 0 0 327.340 3.242 10 5 EGBERN O=C(CCCn1cccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000519790485 459005708 /nfs/dbraw/zinc/00/57/08/459005708.db2.gz JQPILVWZULHISY-UHFFFAOYSA-N 0 0 340.383 3.017 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000532143167 459036665 /nfs/dbraw/zinc/03/66/65/459036665.db2.gz JKYIMPSQSFWMLQ-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000577577195 459052249 /nfs/dbraw/zinc/05/22/49/459052249.db2.gz XBLFKOMASZKASK-GFCCVEGCSA-N 0 0 338.367 3.199 10 5 EGBERN CC(C)(NCc1cn2cccc(F)c2n1)c1ccccc1[N+](=O)[O-] ZINC000589939744 459052962 /nfs/dbraw/zinc/05/29/62/459052962.db2.gz BZUHPERGHSIJSR-UHFFFAOYSA-N 0 0 328.347 3.407 10 5 EGBERN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000520412051 459057951 /nfs/dbraw/zinc/05/79/51/459057951.db2.gz KZFLPXRSTPTOAQ-BETUJISGSA-N 0 0 335.404 3.073 10 5 EGBERN Nc1cc(N2CC[C@H](c3cccc(Cl)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590085194 459080167 /nfs/dbraw/zinc/08/01/67/459080167.db2.gz IBXAZKHXGOFCBH-LBPRGKRZSA-N 0 0 347.802 3.317 10 5 EGBERN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])cn1 ZINC000532397588 459081041 /nfs/dbraw/zinc/08/10/41/459081041.db2.gz XKFVTLQBRNLLSH-UHFFFAOYSA-N 0 0 341.323 3.284 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594590934 459100330 /nfs/dbraw/zinc/10/03/30/459100330.db2.gz OVSYDDXTIPUNRF-AAEUAGOBSA-N 0 0 334.401 3.359 10 5 EGBERN COc1cc(C(=O)N2CCc3cc(F)c(F)cc32)cc([N+](=O)[O-])c1C ZINC000478676067 459103688 /nfs/dbraw/zinc/10/36/88/459103688.db2.gz QRMZLEFNOJKDLV-UHFFFAOYSA-N 0 0 348.305 3.393 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC4(CCCC4)O3)cc2N1 ZINC000594599851 459104870 /nfs/dbraw/zinc/10/48/70/459104870.db2.gz NYZLURDIFKBQNM-CYBMUJFWSA-N 0 0 345.399 3.383 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(F)(c2ccccc2F)C1 ZINC000590437810 459130744 /nfs/dbraw/zinc/13/07/44/459130744.db2.gz HUYRNSBCQRCAFV-UHFFFAOYSA-N 0 0 336.269 3.194 10 5 EGBERN O=C([O-])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000594734367 459145499 /nfs/dbraw/zinc/14/54/99/459145499.db2.gz YLKQBWNQAUSSQX-GVDBMIGSSA-N 0 0 332.400 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000590548815 459147061 /nfs/dbraw/zinc/14/70/61/459147061.db2.gz FCLAVRIFYMTVCY-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590565378 459150215 /nfs/dbraw/zinc/15/02/15/459150215.db2.gz MHNWTYTVVIKPFU-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN COC(=O)c1ccnc(N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000590570107 459151272 /nfs/dbraw/zinc/15/12/72/459151272.db2.gz XEBIQGCXJRXZHB-CQSZACIVSA-N 0 0 327.340 3.266 10 5 EGBERN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000521905512 459192569 /nfs/dbraw/zinc/19/25/69/459192569.db2.gz PWQTXACWHCDQJW-WMZOPIPTSA-N 0 0 346.427 3.493 10 5 EGBERN C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956090 459192756 /nfs/dbraw/zinc/19/27/56/459192756.db2.gz FADNYHPIDBNFLM-XHDPSFHLSA-N 0 0 339.355 3.242 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](OC(F)F)C1 ZINC000558787701 459210517 /nfs/dbraw/zinc/21/05/17/459210517.db2.gz CWVVUFCGKDNTTE-QMMMGPOBSA-N 0 0 337.120 3.175 10 5 EGBERN CCn1nc(C)cc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775073 459213170 /nfs/dbraw/zinc/21/31/70/459213170.db2.gz YQKKJBGWAKMBHU-HNNXBMFYSA-N 0 0 342.399 3.139 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078492 459240052 /nfs/dbraw/zinc/24/00/52/459240052.db2.gz CQLKLNXVTBSSAY-UKRRQHHQSA-N 0 0 336.342 3.053 10 5 EGBERN COc1ccccc1[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272120 459304759 /nfs/dbraw/zinc/30/47/59/459304759.db2.gz NKSIZBWEQDPELT-MRXNPFEDSA-N 0 0 339.351 3.297 10 5 EGBERN Cc1noc(CN[C@H](c2ccc(F)cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000595461795 459311280 /nfs/dbraw/zinc/31/12/80/459311280.db2.gz NNTROLHMJSYYKI-GFCCVEGCSA-N 0 0 333.241 3.424 10 5 EGBERN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000595521007 459333425 /nfs/dbraw/zinc/33/34/25/459333425.db2.gz VEIRWXTVIVKIAM-GFCCVEGCSA-N 0 0 348.428 3.434 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2ccco2)CC1 ZINC000595615230 459369071 /nfs/dbraw/zinc/36/90/71/459369071.db2.gz KKLLDTLHCYHPIA-UHFFFAOYSA-N 0 0 343.383 3.314 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000591531108 459397014 /nfs/dbraw/zinc/39/70/14/459397014.db2.gz CHKSUMFITSBDBK-LLVKDONJSA-N 0 0 328.315 3.055 10 5 EGBERN COC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000484283345 459411563 /nfs/dbraw/zinc/41/15/63/459411563.db2.gz PVQDAXLEJMNHDW-UHFFFAOYSA-N 0 0 343.383 3.161 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595733892 459419046 /nfs/dbraw/zinc/41/90/46/459419046.db2.gz JTCYNXDYNAFOLO-BBWFWOEESA-N 0 0 332.400 3.149 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)nc1OCc1ccccc1 ZINC000485435397 459455246 /nfs/dbraw/zinc/45/52/46/459455246.db2.gz HTYXZBKIFQNIDR-LSDHHAIUSA-N 0 0 325.368 3.201 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@@H](C3CC3)C2)o1 ZINC000485697336 459465434 /nfs/dbraw/zinc/46/54/34/459465434.db2.gz PSPPTEYIAOPKTD-GOSISDBHSA-N 0 0 328.368 3.466 10 5 EGBERN COc1cc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595890472 459476939 /nfs/dbraw/zinc/47/69/39/459476939.db2.gz MOWJPNDLATXTPV-CMPLNLGQSA-N 0 0 348.321 3.145 10 5 EGBERN CCn1nc(C)c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1C ZINC000591905964 459477433 /nfs/dbraw/zinc/47/74/33/459477433.db2.gz JUIDMODXHKSDGB-UHFFFAOYSA-N 0 0 329.404 3.314 10 5 EGBERN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891882 459478522 /nfs/dbraw/zinc/47/85/22/459478522.db2.gz QKCJLTBSRQBHGL-BXUZGUMPSA-N 0 0 332.322 3.179 10 5 EGBERN CCc1oc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1C ZINC000485975751 459482572 /nfs/dbraw/zinc/48/25/72/459482572.db2.gz DIWUXFWMDZTXQR-UHFFFAOYSA-N 0 0 346.339 3.406 10 5 EGBERN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595918088 459486281 /nfs/dbraw/zinc/48/62/81/459486281.db2.gz OMIGLAOVBPGHFF-LKFCYVNXSA-N 0 0 334.750 3.493 10 5 EGBERN Cc1ccc(-c2noc(COc3ccc(O)cc3)n2)cc1[N+](=O)[O-] ZINC000486085289 459487323 /nfs/dbraw/zinc/48/73/23/459487323.db2.gz ZIMQTFDYNIRAQP-UHFFFAOYSA-N 0 0 327.296 3.238 10 5 EGBERN CCc1ccc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596004686 459493554 /nfs/dbraw/zinc/49/35/54/459493554.db2.gz LRLIOEUYAVVYCR-UHFFFAOYSA-N 0 0 342.399 3.105 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CNc1ccc(F)cc1N1CCOCC1 ZINC000596038502 459499397 /nfs/dbraw/zinc/49/93/97/459499397.db2.gz NBXJKYMZOUPTQE-UHFFFAOYSA-N 0 0 349.337 3.322 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000591972520 459500955 /nfs/dbraw/zinc/50/09/55/459500955.db2.gz RECNIGGEJDQMNL-NEPJUHHUSA-N 0 0 338.371 3.399 10 5 EGBERN CC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000591975979 459501923 /nfs/dbraw/zinc/50/19/23/459501923.db2.gz QFXJTNMYXMCWGO-ZDUSSCGKSA-N 0 0 348.428 3.175 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1SC ZINC000591991960 459507166 /nfs/dbraw/zinc/50/71/66/459507166.db2.gz YCBRGXGPGHKILF-BMFZPTHFSA-N 0 0 333.413 3.464 10 5 EGBERN COc1cc(NC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1C ZINC000596092000 459516860 /nfs/dbraw/zinc/51/68/60/459516860.db2.gz HEUNGOWQGGRTOH-UHFFFAOYSA-N 0 0 347.337 3.350 10 5 EGBERN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592050940 459517169 /nfs/dbraw/zinc/51/71/69/459517169.db2.gz YMJOZIAHYIOLDO-SNVBAGLBSA-N 0 0 329.347 3.420 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@H](C)O1 ZINC000596120827 459527680 /nfs/dbraw/zinc/52/76/80/459527680.db2.gz TWMRWHUMBLBMJJ-VHSXEESVSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000596152027 459538412 /nfs/dbraw/zinc/53/84/12/459538412.db2.gz ULDYUTBGQYDOKC-MRVPVSSYSA-N 0 0 330.793 3.342 10 5 EGBERN C[C@@H]1[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000562390076 459552384 /nfs/dbraw/zinc/55/23/84/459552384.db2.gz XEUPCSKQTFIUDK-MORSLUCNSA-N 0 0 340.379 3.140 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000596190230 459555504 /nfs/dbraw/zinc/55/55/04/459555504.db2.gz PDQDUOPTEZELQF-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN CO[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000596203507 459559963 /nfs/dbraw/zinc/55/99/63/459559963.db2.gz OLDBHMTYQHXTSP-JOYOIKCWSA-N 0 0 329.194 3.219 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@]2(CNc3ccccc32)C1 ZINC000596209635 459561153 /nfs/dbraw/zinc/56/11/53/459561153.db2.gz VBUBGUWPCSOXCT-INIZCTEOSA-N 0 0 330.775 3.217 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596221041 459564982 /nfs/dbraw/zinc/56/49/82/459564982.db2.gz TWOLPCYYGHIKJU-SSDOTTSWSA-N 0 0 334.706 3.126 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596223644 459565618 /nfs/dbraw/zinc/56/56/18/459565618.db2.gz UBUZWUFUDGQDIJ-ZJUUUORDSA-N 0 0 342.779 3.039 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@]2(C1)CCCOC2 ZINC000596227238 459566794 /nfs/dbraw/zinc/56/67/94/459566794.db2.gz TUOSEERBJPZFSK-AWEZNQCLSA-N 0 0 341.205 3.364 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596233401 459569249 /nfs/dbraw/zinc/56/92/49/459569249.db2.gz YBPXGACSYKWRJE-APPZFPTMSA-N 0 0 330.793 3.198 10 5 EGBERN COC(=O)[C@@]1(C)CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596276089 459582049 /nfs/dbraw/zinc/58/20/49/459582049.db2.gz FIFXOHPBKRUGTP-HNNXBMFYSA-N 0 0 342.779 3.036 10 5 EGBERN Cc1c(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]c1C(C)C ZINC000592374868 459583660 /nfs/dbraw/zinc/58/36/60/459583660.db2.gz NHBIXYKAZQEALG-UHFFFAOYSA-N 0 0 340.330 3.385 10 5 EGBERN COc1cc2c(cc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)OCO2 ZINC000542766159 459590406 /nfs/dbraw/zinc/59/04/06/459590406.db2.gz INAYMGFTWKCTMC-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN CCC1(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000498471046 459590749 /nfs/dbraw/zinc/59/07/49/459590749.db2.gz OQJJIDUCMUBUSG-UHFFFAOYSA-N 0 0 325.796 3.423 10 5 EGBERN CCn1c(CSc2ccccc2[N+](=O)[O-])nnc1N1CCCCC1 ZINC000592408850 459595945 /nfs/dbraw/zinc/59/59/45/459595945.db2.gz BQCLJBGOAOEIBD-UHFFFAOYSA-N 0 0 347.444 3.489 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000596351652 459604787 /nfs/dbraw/zinc/60/47/87/459604787.db2.gz VWPZSVMXAAGKJA-MNOVXSKESA-N 0 0 346.305 3.081 10 5 EGBERN O=C(CCSCCC[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000592459238 459605193 /nfs/dbraw/zinc/60/51/93/459605193.db2.gz QMIAULLLXZZFBD-CYBMUJFWSA-N 0 0 338.429 3.473 10 5 EGBERN O=C(NCC1(C2CCC2)CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562642897 459610441 /nfs/dbraw/zinc/61/04/41/459610441.db2.gz JFSZPCJRSMGSGY-UHFFFAOYSA-N 0 0 332.356 3.024 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N(CCC1CC1)CC1CC1 ZINC000596418103 459630428 /nfs/dbraw/zinc/63/04/28/459630428.db2.gz MWCXGGCBHDPSNC-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cn1 ZINC000596442625 459638125 /nfs/dbraw/zinc/63/81/25/459638125.db2.gz IUTSVKGRDGHKLF-JTQLQIEISA-N 0 0 339.277 3.140 10 5 EGBERN CC[C@H](NC(=O)N(C)CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000596455271 459642829 /nfs/dbraw/zinc/64/28/29/459642829.db2.gz RNJXPQYZWWRERT-INIZCTEOSA-N 0 0 333.388 3.034 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596457765 459643808 /nfs/dbraw/zinc/64/38/08/459643808.db2.gz AHWZPQGFSTZMKF-SNVBAGLBSA-N 0 0 339.779 3.424 10 5 EGBERN C[C@@]1(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1(F)F ZINC000596475067 459649336 /nfs/dbraw/zinc/64/93/36/459649336.db2.gz GNMIOJWDMNVEBI-OAHLLOKOSA-N 0 0 339.342 3.334 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H](CC(=O)OC)C2CC2)c([N+](=O)[O-])c1 ZINC000596491241 459655516 /nfs/dbraw/zinc/65/55/16/459655516.db2.gz JNPHVYSRZRULDW-CYBMUJFWSA-N 0 0 334.372 3.189 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000596493487 459656314 /nfs/dbraw/zinc/65/63/14/459656314.db2.gz SBXGUFMGZVUKIZ-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN COc1cc(NCc2c(C3CCC3)cnn2C)c(F)cc1[N+](=O)[O-] ZINC000596502948 459658905 /nfs/dbraw/zinc/65/89/05/459658905.db2.gz OLEXOGBNIKALNA-UHFFFAOYSA-N 0 0 334.351 3.356 10 5 EGBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)F ZINC000592673198 459660863 /nfs/dbraw/zinc/66/08/63/459660863.db2.gz SHBOHNDWAHETQV-ZETCQYMHSA-N 0 0 338.257 3.217 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000596512733 459661859 /nfs/dbraw/zinc/66/18/59/459661859.db2.gz SNFGACORJHFOHG-GHMZBOCLSA-N 0 0 327.178 3.073 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000592676561 459662004 /nfs/dbraw/zinc/66/20/04/459662004.db2.gz LXJKTFFVEPWXMN-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000592677596 459663448 /nfs/dbraw/zinc/66/34/48/459663448.db2.gz XSLXMOBZCDEBMX-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN Cc1cc(OCC(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592678804 459663586 /nfs/dbraw/zinc/66/35/86/459663586.db2.gz FUCRYMQIGBZBKU-NVXWUHKLSA-N 0 0 340.379 3.202 10 5 EGBERN COC(=O)Cc1ccc(N[C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596549293 459673029 /nfs/dbraw/zinc/67/30/29/459673029.db2.gz GJMQZKTZDYBXIC-JOCQHMNTSA-N 0 0 336.388 3.068 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCO[C@@H](CC(F)(F)F)C3)ccc2c1 ZINC000596558275 459676235 /nfs/dbraw/zinc/67/62/35/459676235.db2.gz PPLXOHZRXCTQPZ-LBPRGKRZSA-N 0 0 341.289 3.301 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592732348 459678097 /nfs/dbraw/zinc/67/80/97/459678097.db2.gz FVTFCPAFAHWZFA-HRCADAONSA-N 0 0 343.427 3.116 10 5 EGBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@](C)(C(F)F)O1 ZINC000596570630 459680238 /nfs/dbraw/zinc/68/02/38/459680238.db2.gz ANLDBMMWXYBWLZ-MGPLVRAMSA-N 0 0 341.358 3.118 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@](C)(C(F)F)O1 ZINC000596572287 459681316 /nfs/dbraw/zinc/68/13/16/459681316.db2.gz DXKIKQGFSURUSP-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@](C)(C(F)F)O1 ZINC000596573327 459682143 /nfs/dbraw/zinc/68/21/43/459682143.db2.gz KNGHCDUADUYUQJ-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C(F)F)O1 ZINC000596573860 459682248 /nfs/dbraw/zinc/68/22/48/459682248.db2.gz YRNIGTOEVHOHCW-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000596574705 459682455 /nfs/dbraw/zinc/68/24/55/459682455.db2.gz QARXLGPNLYGDAW-CQSZACIVSA-N 0 0 327.388 3.246 10 5 EGBERN Cc1ccc(NC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000596620632 459701436 /nfs/dbraw/zinc/70/14/36/459701436.db2.gz OPJHNFLRUGZYIU-LBPRGKRZSA-N 0 0 333.310 3.018 10 5 EGBERN CC(C)[C@H](O)Cc1ccccc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000596647375 459712879 /nfs/dbraw/zinc/71/28/79/459712879.db2.gz HWZRBPPTOOQGCN-LJQANCHMSA-N 0 0 329.396 3.356 10 5 EGBERN COc1ccc(CC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592899358 459716276 /nfs/dbraw/zinc/71/62/76/459716276.db2.gz DQPRLQVVTCTWSH-SFHVURJKSA-N 0 0 344.411 3.349 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000592941361 459722025 /nfs/dbraw/zinc/72/20/25/459722025.db2.gz SHMGJKRRMYETQU-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000544141393 459733115 /nfs/dbraw/zinc/73/31/15/459733115.db2.gz DNGNQZFTZTUGDB-UHFFFAOYSA-N 0 0 340.364 3.289 10 5 EGBERN Cc1ccncc1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596728843 459743203 /nfs/dbraw/zinc/74/32/03/459743203.db2.gz INTZCFRWXIIWSS-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000593030314 459746499 /nfs/dbraw/zinc/74/64/99/459746499.db2.gz KQCMHZMBGRJJRO-NWDGAFQWSA-N 0 0 340.383 3.280 10 5 EGBERN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)CO1 ZINC000593091026 459770586 /nfs/dbraw/zinc/77/05/86/459770586.db2.gz DFZHKNAJEAFESV-ZDUSSCGKSA-N 0 0 343.383 3.393 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000596824338 459771364 /nfs/dbraw/zinc/77/13/64/459771364.db2.gz VMRCADCRXLGDIU-DYVFJYSZSA-N 0 0 347.415 3.226 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000596899193 459790609 /nfs/dbraw/zinc/79/06/09/459790609.db2.gz DZPRUJLTJDBMLD-KZULUSFZSA-N 0 0 347.415 3.393 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584723529 459791112 /nfs/dbraw/zinc/79/11/12/459791112.db2.gz QQQOBQUXIZCUDF-DOMZBBRYSA-N 0 0 348.399 3.035 10 5 EGBERN CC(C)(C)c1noc(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000544934887 459792352 /nfs/dbraw/zinc/79/23/52/459792352.db2.gz HZKDRMDEAPTFJQ-UHFFFAOYSA-N 0 0 343.343 3.111 10 5 EGBERN CC(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000593183963 459799521 /nfs/dbraw/zinc/79/95/21/459799521.db2.gz QGMGYFYDWHRUBU-UHFFFAOYSA-N 0 0 347.346 3.197 10 5 EGBERN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)cnn1C(CC)CC ZINC000574341431 459808138 /nfs/dbraw/zinc/80/81/38/459808138.db2.gz RWBPDZOZLBDENV-UHFFFAOYSA-N 0 0 331.376 3.362 10 5 EGBERN Cc1cc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)ccc1[N+](=O)[O-] ZINC000593213631 459809381 /nfs/dbraw/zinc/80/93/81/459809381.db2.gz QJAJXZPDJHOZSY-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593215672 459809941 /nfs/dbraw/zinc/80/99/41/459809941.db2.gz MEJOITBCOJJJCC-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN O=C(Nc1cc(F)ccn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597013853 459817979 /nfs/dbraw/zinc/81/79/79/459817979.db2.gz NFLGPYKIKZGMMG-UHFFFAOYSA-N 0 0 330.319 3.325 10 5 EGBERN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593294251 459831685 /nfs/dbraw/zinc/83/16/85/459831685.db2.gz IUMJIYHHTPIDDM-GXTWGEPZSA-N 0 0 338.429 3.103 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCCOC1 ZINC000593294766 459831886 /nfs/dbraw/zinc/83/18/86/459831886.db2.gz IWAIQJWRXZNVCN-NVXWUHKLSA-N 0 0 334.416 3.191 10 5 EGBERN CCSC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597092550 459835567 /nfs/dbraw/zinc/83/55/67/459835567.db2.gz OFCGGVTWTNSIDB-UHFFFAOYSA-N 0 0 344.824 3.238 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597101742 459837343 /nfs/dbraw/zinc/83/73/43/459837343.db2.gz STFIKJFTBNDCQN-RKDXNWHRSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099950 459837739 /nfs/dbraw/zinc/83/77/39/459837739.db2.gz GDZHAYIRVFJHPN-DTWKUNHWSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315521 459838697 /nfs/dbraw/zinc/83/86/97/459838697.db2.gz ZSLFAPKVXQHAHO-YVEFUNNKSA-N 0 0 347.415 3.160 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC12CCC2 ZINC000585750523 459840325 /nfs/dbraw/zinc/84/03/25/459840325.db2.gz NGXYZIRJPVPBAN-LLVKDONJSA-N 0 0 325.162 3.486 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(C(F)(F)F)cnn1C ZINC000597121515 459842117 /nfs/dbraw/zinc/84/21/17/459842117.db2.gz OYZMDEQJIAEURC-UHFFFAOYSA-N 0 0 342.321 3.022 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000593340707 459853407 /nfs/dbraw/zinc/85/34/07/459853407.db2.gz FVAHHKKFCGSZSA-CYBMUJFWSA-N 0 0 344.415 3.312 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(CC2(F)F)C1 ZINC000593355213 459859978 /nfs/dbraw/zinc/85/99/78/459859978.db2.gz WWDHQLYKQFSDFX-ZDUSSCGKSA-N 0 0 348.252 3.068 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000593358453 459861361 /nfs/dbraw/zinc/86/13/61/459861361.db2.gz FWYHJZWJGWTKKZ-CQSZACIVSA-N 0 0 336.388 3.096 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC2(CC2(F)F)CC1 ZINC000598317521 459862848 /nfs/dbraw/zinc/86/28/48/459862848.db2.gz JKBAQDXZEKCBCD-UHFFFAOYSA-N 0 0 340.326 3.058 10 5 EGBERN O=C(NC1CCC2(CC2(F)F)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598318067 459864084 /nfs/dbraw/zinc/86/40/84/459864084.db2.gz UTGJAWRGEGJRID-UHFFFAOYSA-N 0 0 328.290 3.432 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593361373 459864195 /nfs/dbraw/zinc/86/41/95/459864195.db2.gz XJNYXLJMLOTYCE-CYBMUJFWSA-N 0 0 328.340 3.188 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000598339584 459872241 /nfs/dbraw/zinc/87/22/41/459872241.db2.gz AEIGCXCAYWEWDM-CABZTGNLSA-N 0 0 344.383 3.483 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000598349087 459875180 /nfs/dbraw/zinc/87/51/80/459875180.db2.gz KUWGEFUZVFYRSS-GJZGRUSLSA-N 0 0 334.397 3.144 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598356019 459877860 /nfs/dbraw/zinc/87/78/60/459877860.db2.gz YWKVCKWAEJOPDB-CQSZACIVSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598366303 459880005 /nfs/dbraw/zinc/88/00/05/459880005.db2.gz KBYGAEBYOFSJIO-IYXRBSQSSA-N 0 0 337.395 3.430 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ccon2)CC1 ZINC000598398072 459888697 /nfs/dbraw/zinc/88/86/97/459888697.db2.gz CZMGZXFZDNGRFC-UHFFFAOYSA-N 0 0 345.355 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000608835101 459889201 /nfs/dbraw/zinc/88/92/01/459889201.db2.gz FSWYSPKKWMVOCF-UHFFFAOYSA-N 0 0 344.458 3.391 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc(SC)nc2)cc1[N+](=O)[O-] ZINC000608899717 459892789 /nfs/dbraw/zinc/89/27/89/459892789.db2.gz FVIADVRDICNPLP-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN Nc1cc(NCCCc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587571222 459892965 /nfs/dbraw/zinc/89/29/65/459892965.db2.gz SBCNBYKAYBMIMM-UHFFFAOYSA-N 0 0 335.791 3.367 10 5 EGBERN O=C(CNc1ccnc2cc([N+](=O)[O-])ccc21)NC1CCCCC1 ZINC000593457254 459894369 /nfs/dbraw/zinc/89/43/69/459894369.db2.gz KLKTUUIGKOMRLD-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN COc1ccc(CC(=O)NC[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000598438788 459898836 /nfs/dbraw/zinc/89/88/36/459898836.db2.gz BSAFATPACZXAPM-ZDUSSCGKSA-N 0 0 334.416 3.479 10 5 EGBERN CC[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(F)c1 ZINC000587994252 459900177 /nfs/dbraw/zinc/90/01/77/459900177.db2.gz CCELLZZNCXVYSE-CQSZACIVSA-N 0 0 349.362 3.078 10 5 EGBERN COc1ccc(C2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)nc1 ZINC000593480280 459901871 /nfs/dbraw/zinc/90/18/71/459901871.db2.gz IGMYYVWPRHDWLH-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN COc1ccc(C2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)nc1 ZINC000593481402 459902652 /nfs/dbraw/zinc/90/26/52/459902652.db2.gz OEFURXBELSZXQM-UHFFFAOYSA-N 0 0 343.383 3.391 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000598457545 459903238 /nfs/dbraw/zinc/90/32/38/459903238.db2.gz NTFXFMRNMZZILS-KFKAGJAMSA-N 0 0 340.354 3.039 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598459156 459903313 /nfs/dbraw/zinc/90/33/13/459903313.db2.gz QNLYAOMBTVVMST-XOKHGSTOSA-N 0 0 326.327 3.110 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@]2(CO)CCc3ccccc32)c2ccncc21 ZINC000593485327 459903555 /nfs/dbraw/zinc/90/35/55/459903555.db2.gz WPBCTQXQEIHQJD-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598464157 459903806 /nfs/dbraw/zinc/90/38/06/459903806.db2.gz GLZOBGUOZAWLAX-UHFFFAOYSA-N 0 0 342.342 3.355 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CCF)C1 ZINC000597288161 459904984 /nfs/dbraw/zinc/90/49/84/459904984.db2.gz IDRSSOYSANYEOY-CYBMUJFWSA-N 0 0 347.394 3.449 10 5 EGBERN COc1ccc2c(c1)CCCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000574995639 459906287 /nfs/dbraw/zinc/90/62/87/459906287.db2.gz GEJNHXZMDKTXTJ-UHFFFAOYSA-N 0 0 338.367 3.433 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1noc2c1CCCC2 ZINC000609140984 459910151 /nfs/dbraw/zinc/91/01/51/459910151.db2.gz LXZAXTILBLGKLP-JTQLQIEISA-N 0 0 327.340 3.053 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000598541179 459933018 /nfs/dbraw/zinc/93/30/18/459933018.db2.gz UFXPABHHXZHPGP-DYVFJYSZSA-N 0 0 328.368 3.064 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(c2ccccc2)CC1(C)C ZINC000598551105 459935340 /nfs/dbraw/zinc/93/53/40/459935340.db2.gz QHENDWTYYXJWAA-GOSISDBHSA-N 0 0 325.368 3.353 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)n1 ZINC000575238307 459954794 /nfs/dbraw/zinc/95/47/94/459954794.db2.gz IGIITKVOPSZWDN-CYBMUJFWSA-N 0 0 334.420 3.244 10 5 EGBERN COC(=O)c1ccnc(Nc2cccc([C@H](C)OC)c2)c1[N+](=O)[O-] ZINC000598593066 459956126 /nfs/dbraw/zinc/95/61/26/459956126.db2.gz OXGJWQBFBHBDFM-JTQLQIEISA-N 0 0 331.328 3.227 10 5 EGBERN COC(=O)c1ccnc(N[C@H]2CCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000598595396 459957552 /nfs/dbraw/zinc/95/75/52/459957552.db2.gz RNFCFCDWHLHMJT-ZDUSSCGKSA-N 0 0 331.303 3.015 10 5 EGBERN C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCCO1 ZINC000597468078 459964197 /nfs/dbraw/zinc/96/41/97/459964197.db2.gz OXIGIKUFMIAEEO-DYVFJYSZSA-N 0 0 332.400 3.291 10 5 EGBERN CCO[C@@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1ccccc1 ZINC000618436795 460010104 /nfs/dbraw/zinc/01/01/04/460010104.db2.gz GRQJMJMXQCAROT-CQSZACIVSA-N 0 0 326.312 3.166 10 5 EGBERN CC1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000588951389 460010525 /nfs/dbraw/zinc/01/05/25/460010525.db2.gz MZSLWDIUDXQSQA-UHFFFAOYSA-N 0 0 346.333 3.089 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC[C@H]1c1ccco1 ZINC000609728868 460010999 /nfs/dbraw/zinc/01/09/99/460010999.db2.gz BNMKWSHKSYBIBN-ZDUSSCGKSA-N 0 0 342.307 3.148 10 5 EGBERN Cc1c(C(=O)NCC[C@H]2CCc3ccccc3N2)cccc1[N+](=O)[O-] ZINC000593917808 460017121 /nfs/dbraw/zinc/01/71/21/460017121.db2.gz XVCFTTRPOSZUQX-OAHLLOKOSA-N 0 0 339.395 3.450 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](CO)c1ccccc1 ZINC000618464867 460018171 /nfs/dbraw/zinc/01/81/71/460018171.db2.gz ZJPNJOZFWRKHGQ-CYBMUJFWSA-N 0 0 348.786 3.063 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000575859516 460018999 /nfs/dbraw/zinc/01/89/99/460018999.db2.gz MKRLIFCGVWEYEE-AWEZNQCLSA-N 0 0 346.427 3.412 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000618470586 460019676 /nfs/dbraw/zinc/01/96/76/460019676.db2.gz WAWMQAHOJWGZIU-JTQLQIEISA-N 0 0 348.733 3.400 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1Sc1ncn(-c2ccccc2)n1 ZINC000589104147 460030450 /nfs/dbraw/zinc/03/04/50/460030450.db2.gz BVBGQALMNZECQS-UHFFFAOYSA-N 0 0 333.760 3.375 10 5 EGBERN CO[C@H]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575907849 460031129 /nfs/dbraw/zinc/03/11/29/460031129.db2.gz VAEXWTBYFBTYNQ-CABZTGNLSA-N 0 0 346.305 3.159 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598784257 460033594 /nfs/dbraw/zinc/03/35/94/460033594.db2.gz ULBLMEPBNSXZML-MRVPVSSYSA-N 0 0 338.232 3.389 10 5 EGBERN CC[C@H](NC(=O)c1scc2c1OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000593987056 460041807 /nfs/dbraw/zinc/04/18/07/460041807.db2.gz DREYBGMSGLRMHP-LBPRGKRZSA-N 0 0 348.380 3.309 10 5 EGBERN Cc1ccccc1COCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000598804941 460042874 /nfs/dbraw/zinc/04/28/74/460042874.db2.gz AASBIPCVKNZKKI-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN COC1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000598809316 460044937 /nfs/dbraw/zinc/04/49/37/460044937.db2.gz VSDAMMOGTUAMSY-UHFFFAOYSA-N 0 0 332.278 3.267 10 5 EGBERN C[C@@H](NC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000594000693 460049214 /nfs/dbraw/zinc/04/92/14/460049214.db2.gz GZEYUWVGIRTXMN-SNVBAGLBSA-N 0 0 348.790 3.200 10 5 EGBERN CC1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000589236528 460060395 /nfs/dbraw/zinc/06/03/95/460060395.db2.gz QALSZOJTAXWYDA-UHFFFAOYSA-N 0 0 329.404 3.405 10 5 EGBERN CCOc1ccc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618581375 460072636 /nfs/dbraw/zinc/07/26/36/460072636.db2.gz RVSNVQCRNCUBAV-NSHDSACASA-N 0 0 326.356 3.465 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCO[C@H](c4ccccc4)C3)nc2c1 ZINC000618584715 460075225 /nfs/dbraw/zinc/07/52/25/460075225.db2.gz HNFPLGWVLMNUIJ-KRWDZBQOSA-N 0 0 338.367 3.439 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610186957 460076370 /nfs/dbraw/zinc/07/63/70/460076370.db2.gz RZEFXAJZKYPWGZ-HZPDHXFCSA-N 0 0 340.379 3.355 10 5 EGBERN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCCO1 ZINC000594055285 460076814 /nfs/dbraw/zinc/07/68/14/460076814.db2.gz KEQWKTIVYJTYOU-IUODEOHRSA-N 0 0 337.376 3.073 10 5 EGBERN CCc1ncc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000576142381 460078513 /nfs/dbraw/zinc/07/85/13/460078513.db2.gz LYJWGTZVVSUQTI-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN COC1CC(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000597861534 460082820 /nfs/dbraw/zinc/08/28/20/460082820.db2.gz NPHSOWUFJKYVRQ-UHFFFAOYSA-N 0 0 326.780 3.102 10 5 EGBERN COC1CC(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000597861794 460084427 /nfs/dbraw/zinc/08/44/27/460084427.db2.gz NYJFJYCSUOCTBQ-UHFFFAOYSA-N 0 0 334.397 3.354 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](C(F)F)C1CCCCC1 ZINC000598895662 460088866 /nfs/dbraw/zinc/08/88/66/460088866.db2.gz QYLURFILCYLABU-OAHLLOKOSA-N 0 0 342.342 3.304 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000589496267 460094294 /nfs/dbraw/zinc/09/42/94/460094294.db2.gz CQBVCGLQFUQNTE-QGZVFWFLSA-N 0 0 341.367 3.114 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2nc(C(C)C)ncc2C1 ZINC000598933548 460094962 /nfs/dbraw/zinc/09/49/62/460094962.db2.gz WPQINPLMEGWAHL-UHFFFAOYSA-N 0 0 328.372 3.080 10 5 EGBERN C[C@H](C(=O)NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000598951355 460099108 /nfs/dbraw/zinc/09/91/08/460099108.db2.gz SWGCTUQDDYNVFP-WCQYABFASA-N 0 0 343.358 3.079 10 5 EGBERN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000598966544 460108706 /nfs/dbraw/zinc/10/87/06/460108706.db2.gz GEQLEFWXHXGTTR-QWHCGFSZSA-N 0 0 347.396 3.020 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597917912 460110883 /nfs/dbraw/zinc/11/08/83/460110883.db2.gz CQTRPGIGEQPDLM-LBPRGKRZSA-N 0 0 326.780 3.183 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597921327 460112860 /nfs/dbraw/zinc/11/28/60/460112860.db2.gz XQBMCXIZENHLCM-DGCLKSJQSA-N 0 0 338.379 3.159 10 5 EGBERN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597943693 460122263 /nfs/dbraw/zinc/12/22/63/460122263.db2.gz DOXATSITMYNOEQ-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000597947850 460123456 /nfs/dbraw/zinc/12/34/56/460123456.db2.gz LCHCFCGMGSDNAK-UHFFFAOYSA-N 0 0 339.395 3.274 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1C1CC1 ZINC000589679469 460125797 /nfs/dbraw/zinc/12/57/97/460125797.db2.gz FGIKUGILWKHLEE-QGZVFWFLSA-N 0 0 342.399 3.203 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(F)(F)F)o1 ZINC000594154305 460128903 /nfs/dbraw/zinc/12/89/03/460128903.db2.gz QNQGXURYVGEHEX-LBPRGKRZSA-N 0 0 343.261 3.233 10 5 EGBERN CCC[C@@H](C)c1cc(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH][nH]1 ZINC000610352229 460131269 /nfs/dbraw/zinc/13/12/69/460131269.db2.gz SFILVVUNSIWGKJ-SNVBAGLBSA-N 0 0 341.371 3.377 10 5 EGBERN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000602802651 460134727 /nfs/dbraw/zinc/13/47/27/460134727.db2.gz SLHXLVMVKJDKTP-MRVPVSSYSA-N 0 0 329.187 3.486 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000610367116 460137016 /nfs/dbraw/zinc/13/70/16/460137016.db2.gz GDHNGDNZKVRJHQ-CQSZACIVSA-N 0 0 333.432 3.236 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594179286 460138339 /nfs/dbraw/zinc/13/83/39/460138339.db2.gz XDBBWECUMPSALF-XFBWCDHKSA-N 0 0 338.379 3.301 10 5 EGBERN CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594180409 460138382 /nfs/dbraw/zinc/13/83/82/460138382.db2.gz ZREPOYCPLJERJY-QWHCGFSZSA-N 0 0 338.429 3.394 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCOCC3)C2)ccc2cnccc21 ZINC000599058848 460145858 /nfs/dbraw/zinc/14/58/58/460145858.db2.gz GYEZTCZENABPJO-CQSZACIVSA-N 0 0 343.383 3.283 10 5 EGBERN C[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599062520 460147174 /nfs/dbraw/zinc/14/71/74/460147174.db2.gz XWRBZRYXCNFCLO-VIFPVBQESA-N 0 0 328.294 3.198 10 5 EGBERN CCO[C@@H]1C[C@@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC000599082025 460154998 /nfs/dbraw/zinc/15/49/98/460154998.db2.gz WXIBWMPSHLVXLO-CRAIPNDOSA-N 0 0 345.399 3.121 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000618752006 460157062 /nfs/dbraw/zinc/15/70/62/460157062.db2.gz YKIGULXOGKNCCY-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598061870 460157479 /nfs/dbraw/zinc/15/74/79/460157479.db2.gz PLDRCHJJFQYIAT-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599118949 460165798 /nfs/dbraw/zinc/16/57/98/460165798.db2.gz NAIGHEJOSBCALV-OAGGEKHMSA-N 0 0 331.416 3.215 10 5 EGBERN Cc1c(Br)c(N[C@@]23C[C@@H]2COC3(C)C)ncc1[N+](=O)[O-] ZINC000599142734 460174085 /nfs/dbraw/zinc/17/40/85/460174085.db2.gz KDJCOKCUUHMNAW-OQPBUACISA-N 0 0 342.193 3.040 10 5 EGBERN COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000598102186 460175132 /nfs/dbraw/zinc/17/51/32/460175132.db2.gz VXQKTILSUMSDOQ-ZUZCIYMTSA-N 0 0 344.342 3.201 10 5 EGBERN CC[C@@H](NC(=O)CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610526851 460176847 /nfs/dbraw/zinc/17/68/47/460176847.db2.gz AVHQILKKLUURTQ-GFCCVEGCSA-N 0 0 334.294 3.131 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2ccncc2)c1 ZINC000610526350 460176899 /nfs/dbraw/zinc/17/68/99/460176899.db2.gz KZEPMVZPEJUAGV-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000610531312 460177999 /nfs/dbraw/zinc/17/79/99/460177999.db2.gz DQXFSJXBEOZODM-MRXNPFEDSA-N 0 0 345.403 3.104 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594281767 460180158 /nfs/dbraw/zinc/18/01/58/460180158.db2.gz YGKSHPOCWYHMIX-GOEBONIOSA-N 0 0 349.431 3.477 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2C[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000599165559 460183041 /nfs/dbraw/zinc/18/30/41/460183041.db2.gz UGAKTVAANCAASS-NWDGAFQWSA-N 0 0 333.369 3.196 10 5 EGBERN Cc1cc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599170114 460185732 /nfs/dbraw/zinc/18/57/32/460185732.db2.gz ZWWKSPKQYWWIAQ-SNVBAGLBSA-N 0 0 336.285 3.487 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC(C)(C)CC(C)(C)C2)n1 ZINC000598141371 460186949 /nfs/dbraw/zinc/18/69/49/460186949.db2.gz MDXYHPBJZYHHIQ-UHFFFAOYSA-N 0 0 336.436 3.394 10 5 EGBERN Cc1ccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1C ZINC000598143190 460187589 /nfs/dbraw/zinc/18/75/89/460187589.db2.gz HWRJSOZJMIAYKM-UHFFFAOYSA-N 0 0 348.349 3.391 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCC23CC3)s1 ZINC000599205122 460198099 /nfs/dbraw/zinc/19/80/99/460198099.db2.gz FMCXURNHBSPVFX-SECBINFHSA-N 0 0 330.431 3.052 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000598212177 460206248 /nfs/dbraw/zinc/20/62/48/460206248.db2.gz JGTKBXJLGRKHAU-RNCFNFMXSA-N 0 0 346.305 3.301 10 5 EGBERN COC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000576759445 460207679 /nfs/dbraw/zinc/20/76/79/460207679.db2.gz HOKNBQNXAPFTBJ-SUMWQHHRSA-N 0 0 328.368 3.202 10 5 EGBERN C[C@@H](C(=O)NCC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598217996 460208106 /nfs/dbraw/zinc/20/81/06/460208106.db2.gz FTKDLJGNYREXCI-YMTOWFKASA-N 0 0 330.306 3.389 10 5 EGBERN CC(C)(C(=O)NC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598216828 460208576 /nfs/dbraw/zinc/20/85/76/460208576.db2.gz QTEBHADENIVDOB-AWEZNQCLSA-N 0 0 330.306 3.173 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H]2CCC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000598218170 460208617 /nfs/dbraw/zinc/20/86/17/460208617.db2.gz ZWHFUASNJFAWKK-TZMCWYRMSA-N 0 0 336.388 3.069 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000594411446 460210885 /nfs/dbraw/zinc/21/08/85/460210885.db2.gz RLASMMZWUGNVQU-SECBINFHSA-N 0 0 344.362 3.214 10 5 EGBERN CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000610719720 460224660 /nfs/dbraw/zinc/22/46/60/460224660.db2.gz OJPGFHPDDWJDBR-MRXNPFEDSA-N 0 0 334.416 3.239 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(CC(F)(F)F)C1 ZINC000610744759 460229844 /nfs/dbraw/zinc/22/98/44/460229844.db2.gz HNUTUMNFQOFKFO-UHFFFAOYSA-N 0 0 327.262 3.101 10 5 EGBERN C[C@H](NC(=O)N1CC(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610749059 460231149 /nfs/dbraw/zinc/23/11/49/460231149.db2.gz KLYCWLNCTUURSH-VIFPVBQESA-N 0 0 331.294 3.250 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000610866811 460252125 /nfs/dbraw/zinc/25/21/25/460252125.db2.gz YXPYAHQWLRVXRJ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCc2sc(Br)cc2C1 ZINC000610929791 460262625 /nfs/dbraw/zinc/26/26/25/460262625.db2.gz NNGINUFEYLNQRX-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000610946026 460264330 /nfs/dbraw/zinc/26/43/30/460264330.db2.gz NNXHGRIVIOVSGL-UHFFFAOYSA-N 0 0 349.431 3.217 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000599550116 460273111 /nfs/dbraw/zinc/27/31/11/460273111.db2.gz YHVOHCXGBOCRTG-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN CC(C)C1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611078898 460286630 /nfs/dbraw/zinc/28/66/30/460286630.db2.gz AIIBMEGZJPJMPW-SNVBAGLBSA-N 0 0 326.780 3.130 10 5 EGBERN CCO[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000615191989 460290765 /nfs/dbraw/zinc/29/07/65/460290765.db2.gz RRXMXRZUJICRPN-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000615203154 460292486 /nfs/dbraw/zinc/29/24/86/460292486.db2.gz CWULJRXOBYUFDK-QWRGUYRKSA-N 0 0 326.780 3.102 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(F)F)C1 ZINC000611179453 460302726 /nfs/dbraw/zinc/30/27/26/460302726.db2.gz CORXUFZLPKQOBT-ONGXEEELSA-N 0 0 338.314 3.293 10 5 EGBERN COc1ccc([C@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599675032 460305727 /nfs/dbraw/zinc/30/57/27/460305727.db2.gz HIVSSXMZSVUZRW-LBPRGKRZSA-N 0 0 335.335 3.028 10 5 EGBERN CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000603517547 460315928 /nfs/dbraw/zinc/31/59/28/460315928.db2.gz GCMXXSSBSGQYER-ZDUSSCGKSA-N 0 0 328.324 3.205 10 5 EGBERN CSc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000611246804 460316116 /nfs/dbraw/zinc/31/61/16/460316116.db2.gz PXLMDRICKQNEOQ-UHFFFAOYSA-N 0 0 332.385 3.076 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603524193 460316736 /nfs/dbraw/zinc/31/67/36/460316736.db2.gz UQNZSUHIMVXPIZ-GFCCVEGCSA-N 0 0 342.351 3.465 10 5 EGBERN Cc1sc(C(=O)N2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000611256349 460319391 /nfs/dbraw/zinc/31/93/91/460319391.db2.gz VLWPZQZUHXEOTM-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829077 460343321 /nfs/dbraw/zinc/34/33/21/460343321.db2.gz CTFKBIMZBJAUMT-GTNSWQLSSA-N 0 0 346.387 3.062 10 5 EGBERN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611385578 460349811 /nfs/dbraw/zinc/34/98/11/460349811.db2.gz JPAXAEPDGNIBCU-HNNXBMFYSA-N 0 0 327.340 3.213 10 5 EGBERN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611385579 460350472 /nfs/dbraw/zinc/35/04/72/460350472.db2.gz JPAXAEPDGNIBCU-OAHLLOKOSA-N 0 0 327.340 3.213 10 5 EGBERN CC(C)(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000619421909 460351212 /nfs/dbraw/zinc/35/12/12/460351212.db2.gz MXFCNXLWSFEORL-UHFFFAOYSA-N 0 0 341.339 3.492 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C(F)F ZINC000619422050 460351637 /nfs/dbraw/zinc/35/16/37/460351637.db2.gz VKHLASPZKOGEPA-ZETCQYMHSA-N 0 0 336.722 3.175 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619425335 460352592 /nfs/dbraw/zinc/35/25/92/460352592.db2.gz QGAOIQMXDIIFDP-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN CCOc1cc(NC(=O)CCC(F)F)c([N+](=O)[O-])cc1OCC ZINC000619516158 460372345 /nfs/dbraw/zinc/37/23/45/460372345.db2.gz UOEZCKCPNHWUHT-UHFFFAOYSA-N 0 0 332.303 3.376 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611505574 460380497 /nfs/dbraw/zinc/38/04/97/460380497.db2.gz DAVWAMAFIRJPJU-SUNKGSAMSA-N 0 0 326.393 3.282 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](F)C2)cc1SC ZINC000611506985 460381641 /nfs/dbraw/zinc/38/16/41/460381641.db2.gz VKQVYOOUUGCFNX-GXSJLCMTSA-N 0 0 342.392 3.145 10 5 EGBERN Nc1cc(NC[C@H]2CCCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000611525105 460387074 /nfs/dbraw/zinc/38/70/74/460387074.db2.gz CYIVVUCQZCUQDT-CYBMUJFWSA-N 0 0 327.384 3.201 10 5 EGBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000619590193 460391918 /nfs/dbraw/zinc/39/19/18/460391918.db2.gz PUNZJHTULJKESA-WCQYABFASA-N 0 0 331.397 3.258 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000619590194 460392041 /nfs/dbraw/zinc/39/20/41/460392041.db2.gz PUNZJHTULJKESA-YPMHNXCESA-N 0 0 331.397 3.258 10 5 EGBERN CCN(Cc1ccoc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615174 460413557 /nfs/dbraw/zinc/41/35/57/460413557.db2.gz NIUUCCDGWGKZAX-UHFFFAOYSA-N 0 0 340.282 3.452 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000611615850 460414070 /nfs/dbraw/zinc/41/40/70/460414070.db2.gz DCPYCGOSQCYVHY-OAHLLOKOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCCOC1 ZINC000600165504 460416056 /nfs/dbraw/zinc/41/60/56/460416056.db2.gz RBOFIQFPBWVFCM-LLVKDONJSA-N 0 0 326.780 3.103 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCc2ccccc2CC1 ZINC000600167948 460418312 /nfs/dbraw/zinc/41/83/12/460418312.db2.gz UYBWMRZQXMETRA-UHFFFAOYSA-N 0 0 338.407 3.449 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cccc(Cl)c32)s1 ZINC000604399104 460421408 /nfs/dbraw/zinc/42/14/08/460421408.db2.gz HRGKTZYHJSOGOO-UHFFFAOYSA-N 0 0 344.801 3.061 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)nc1 ZINC000604556591 460445468 /nfs/dbraw/zinc/44/54/68/460445468.db2.gz XINYKLYROMQSJL-OAHLLOKOSA-N 0 0 347.378 3.416 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604562155 460449244 /nfs/dbraw/zinc/44/92/44/460449244.db2.gz FUSHXGDDELRPDV-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN CC1(C)CC(=O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600305302 460469034 /nfs/dbraw/zinc/46/90/34/460469034.db2.gz OSNJLOITAIKZPA-UHFFFAOYSA-N 0 0 338.791 3.008 10 5 EGBERN CC1(C)CC(=O)CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000600305295 460469166 /nfs/dbraw/zinc/46/91/66/460469166.db2.gz OLYRTLYYMPGKHV-UHFFFAOYSA-N 0 0 345.399 3.000 10 5 EGBERN CCCOc1cncc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000600367929 460484595 /nfs/dbraw/zinc/48/45/95/460484595.db2.gz SCQIWKKMWBOERJ-UHFFFAOYSA-N 0 0 329.356 3.350 10 5 EGBERN CCOc1cc(C(=O)NCC[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000600395286 460489007 /nfs/dbraw/zinc/48/90/07/460489007.db2.gz QUXYKPFOGVMNKL-ZDUSSCGKSA-N 0 0 348.399 3.478 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[C@@H]1CC=CCC1 ZINC000600395280 460489025 /nfs/dbraw/zinc/48/90/25/460489025.db2.gz UEWBFNVIMHDARW-CYBMUJFWSA-N 0 0 327.384 3.481 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600446570 460496036 /nfs/dbraw/zinc/49/60/36/460496036.db2.gz NIPUDCPNAYONPM-SPTRTOBYSA-N 0 0 334.397 3.351 10 5 EGBERN C/C=C\CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600490961 460505392 /nfs/dbraw/zinc/50/53/92/460505392.db2.gz JGQSPZCLSVMLPU-IHWYPQMZSA-N 0 0 331.294 3.108 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600510844 460508509 /nfs/dbraw/zinc/50/85/09/460508509.db2.gz NXNFFQQIEIEAMZ-VHSXEESVSA-N 0 0 332.278 3.306 10 5 EGBERN Cc1ccc2c(c1)CCN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C2 ZINC000601152238 460733387 /nfs/dbraw/zinc/73/33/87/460733387.db2.gz LDHNJHZDXDSGFD-UHFFFAOYSA-N 0 0 340.305 3.218 10 5 EGBERN CC(C)c1nc([C@H](CO)Nc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000601187294 460743128 /nfs/dbraw/zinc/74/31/28/460743128.db2.gz QTARMCPONUBKNQ-LBPRGKRZSA-N 0 0 325.365 3.459 10 5 EGBERN COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000601212625 460751644 /nfs/dbraw/zinc/75/16/44/460751644.db2.gz LWLJWOFERCHMQP-UHFFFAOYSA-N 0 0 328.390 3.068 10 5 EGBERN Cc1ccnc(N2CCC(Oc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000601216003 460752952 /nfs/dbraw/zinc/75/29/52/460752952.db2.gz FSXHABSUMAHAAP-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN COCC1(C2CC2)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000601225215 460756926 /nfs/dbraw/zinc/75/69/26/460756926.db2.gz DQTNDKJKCJZHPO-UHFFFAOYSA-N 0 0 328.315 3.059 10 5 EGBERN CC[C@H](NC(=O)c1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601280297 460774329 /nfs/dbraw/zinc/77/43/29/460774329.db2.gz FIJJIPUXAPTMAL-INIZCTEOSA-N 0 0 328.372 3.082 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2ccc(C(F)F)cc2)n1 ZINC000601375028 460798118 /nfs/dbraw/zinc/79/81/18/460798118.db2.gz OPTKXCLVKLARAI-UHFFFAOYSA-N 0 0 349.297 3.101 10 5 EGBERN COC[C@@H](C)Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601382977 460800738 /nfs/dbraw/zinc/80/07/38/460800738.db2.gz BBFWFVXILXTBMX-LBPRGKRZSA-N 0 0 331.372 3.273 10 5 EGBERN CCOC1CC(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601519489 460822911 /nfs/dbraw/zinc/82/29/11/460822911.db2.gz XLPPGKUQYXHXPS-UHFFFAOYSA-N 0 0 346.427 3.338 10 5 EGBERN CCn1ccc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601524268 460824792 /nfs/dbraw/zinc/82/47/92/460824792.db2.gz CRHNYMKZLBZNIY-UHFFFAOYSA-N 0 0 341.411 3.497 10 5 EGBERN CCOC(C)(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000601567218 460834877 /nfs/dbraw/zinc/83/48/77/460834877.db2.gz XAGZAFDPDQVWDW-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000601603603 460844369 /nfs/dbraw/zinc/84/43/69/460844369.db2.gz KNVMTESCGJBRAW-VIFPVBQESA-N 0 0 349.131 3.145 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000601612022 460846566 /nfs/dbraw/zinc/84/65/66/460846566.db2.gz KBUHEHBTIACZFR-WMLDXEAASA-N 0 0 339.395 3.500 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H]2CCCO2)no1 ZINC000613169635 460850165 /nfs/dbraw/zinc/85/01/65/460850165.db2.gz GYGSYMGLRRFYCJ-ZFWWWQNUSA-N 0 0 331.372 3.436 10 5 EGBERN CC(=O)CN(CC(C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601642056 460854715 /nfs/dbraw/zinc/85/47/15/460854715.db2.gz WLVSQUSKLNFFQI-UHFFFAOYSA-N 0 0 332.400 3.090 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000601669230 460864438 /nfs/dbraw/zinc/86/44/38/460864438.db2.gz BBXGOJNMPDYWJK-DLBZAZTESA-N 0 0 346.358 3.222 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC000601729316 460885177 /nfs/dbraw/zinc/88/51/77/460885177.db2.gz XBYCQIYIVHHINH-SFHVURJKSA-N 0 0 334.416 3.354 10 5 EGBERN Cc1cccc([C@@H](C)C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601773691 460894315 /nfs/dbraw/zinc/89/43/15/460894315.db2.gz AQNOHULDNKVIIK-AUUYWEPGSA-N 0 0 342.395 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C2CCCC1CCC2 ZINC000613308123 460903779 /nfs/dbraw/zinc/90/37/79/460903779.db2.gz CSWWEEDQDVARKO-UHFFFAOYSA-N 0 0 345.399 3.084 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000601869618 460931588 /nfs/dbraw/zinc/93/15/88/460931588.db2.gz WGTXGNYDAWEGFY-SNVBAGLBSA-N 0 0 346.305 3.408 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601875973 460933566 /nfs/dbraw/zinc/93/35/66/460933566.db2.gz ZUNICXCGDUZNPK-NNUKFRKNSA-N 0 0 343.408 3.351 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601878457 460933592 /nfs/dbraw/zinc/93/35/92/460933592.db2.gz YFDYPSOJQWXJAR-XWTMOSNGSA-N 0 0 344.411 3.162 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601878185 460933672 /nfs/dbraw/zinc/93/36/72/460933672.db2.gz URCOKSPXEDSOGH-DOTOQJQBSA-N 0 0 348.399 3.071 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601887715 460936767 /nfs/dbraw/zinc/93/67/67/460936767.db2.gz SWOHBGNOVZBRMS-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000601928528 460947173 /nfs/dbraw/zinc/94/71/73/460947173.db2.gz QVPNEBHPTKECNT-DLBZAZTESA-N 0 0 326.352 3.483 10 5 EGBERN C[C@@H]1CCCN(C(=O)C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000302817524 518179228 /nfs/dbraw/zinc/17/92/28/518179228.db2.gz MOOZMTQWLUZWST-CYBMUJFWSA-N 0 0 349.406 3.209 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000187114059 534565270 /nfs/dbraw/zinc/56/52/70/534565270.db2.gz KODOCKUSEDHHNZ-HNNXBMFYSA-N 0 0 331.397 3.266 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000184484015 527525816 /nfs/dbraw/zinc/52/58/16/527525816.db2.gz QYDMGHVMICGLFO-OHKBXWSGSA-N 0 0 332.400 3.008 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000173381127 536951332 /nfs/dbraw/zinc/95/13/32/536951332.db2.gz GMCQFFFGWDZMHR-CYBMUJFWSA-N 0 0 347.396 3.427 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)c1cccc(Cl)c1F ZINC000186360518 538135726 /nfs/dbraw/zinc/13/57/26/538135726.db2.gz PNINRAPUBFOQIN-QMMMGPOBSA-N 0 0 341.726 3.197 10 5 EGBERN CCOC(=O)c1cc(N2CCC3(CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000374922464 547814065 /nfs/dbraw/zinc/81/40/65/547814065.db2.gz AEJWKTYKEXTKCY-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN COc1cc(OC)c(N)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000726206269 574545256 /nfs/dbraw/zinc/54/52/56/574545256.db2.gz BYSNAKBASYJHBM-SNVBAGLBSA-N 0 0 346.339 3.112 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000727764946 574689153 /nfs/dbraw/zinc/68/91/53/574689153.db2.gz WLXHKANIUXMIJN-GFCCVEGCSA-N 0 0 343.383 3.293 10 5 EGBERN CCOc1ccc(C(=O)OCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000728771531 574770148 /nfs/dbraw/zinc/77/01/48/574770148.db2.gz GCVQXSXXMXQWRW-UHFFFAOYSA-N 0 0 343.335 3.285 10 5 EGBERN CC/C(=C/C(=O)OCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000729073497 574810882 /nfs/dbraw/zinc/81/08/82/574810882.db2.gz VTTUTXSYTQDMDW-KAMYIIQDSA-N 0 0 329.356 3.137 10 5 EGBERN CC(C)(C)CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000729193049 574822707 /nfs/dbraw/zinc/82/27/07/574822707.db2.gz SAFJUJPOTSICIP-UHFFFAOYSA-N 0 0 335.404 3.186 10 5 EGBERN COC(=O)c1cc(N2C[C@H](C)OC3(CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000592000976 574954335 /nfs/dbraw/zinc/95/43/35/574954335.db2.gz OAEZJKGDVBEQDR-ZDUSSCGKSA-N 0 0 348.399 3.228 10 5 EGBERN C/C(=C\C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000731978542 575228656 /nfs/dbraw/zinc/22/86/56/575228656.db2.gz MXCVOAHBDWGBGI-ACCUITESSA-N 0 0 328.343 3.496 10 5 EGBERN CCOc1ccc(C(=O)OCc2ncc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000733417825 575336879 /nfs/dbraw/zinc/33/68/79/575336879.db2.gz DVGNWWMDNFDCDS-UHFFFAOYSA-N 0 0 334.328 3.462 10 5 EGBERN COCC[C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000755729210 575674145 /nfs/dbraw/zinc/67/41/45/575674145.db2.gz GOUQLCINZIZATL-NHYWBVRUSA-N 0 0 327.352 3.442 10 5 EGBERN O=C(OCc1ccc2c(c1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736865625 576051945 /nfs/dbraw/zinc/05/19/45/576051945.db2.gz GKLRHNAUPMGTTP-UHFFFAOYSA-N 0 0 349.726 3.376 10 5 EGBERN CC1(C)CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000741594297 576704072 /nfs/dbraw/zinc/70/40/72/576704072.db2.gz IGZQBQHRDBTCMM-UHFFFAOYSA-N 0 0 330.388 3.030 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(CC(F)(F)F)no1 ZINC000742258902 576763608 /nfs/dbraw/zinc/76/36/08/576763608.db2.gz OYVRFQPCLLFRRI-QMMMGPOBSA-N 0 0 342.277 3.034 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000742415661 576781757 /nfs/dbraw/zinc/78/17/57/576781757.db2.gz IPTNTHCTDPELQG-UHFFFAOYSA-N 0 0 327.384 3.095 10 5 EGBERN O=C(/C=C\C1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742590158 576790963 /nfs/dbraw/zinc/79/09/63/576790963.db2.gz OZQCWDSAKGPKEU-UTCJRWHESA-N 0 0 343.305 3.108 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)CCC1CCOCC1 ZINC000744057473 576819718 /nfs/dbraw/zinc/81/97/18/576819718.db2.gz RJHNEDMVHGJADJ-UHFFFAOYSA-N 0 0 337.372 3.244 10 5 EGBERN C[C@H](OC(=O)CCCOc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000744068296 576819860 /nfs/dbraw/zinc/81/98/60/576819860.db2.gz CNEANDNSWWYBFY-ZDUSSCGKSA-N 0 0 330.340 3.453 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000744261764 576824160 /nfs/dbraw/zinc/82/41/60/576824160.db2.gz ZFZNMCHRXIEBJM-INIZCTEOSA-N 0 0 331.372 3.054 10 5 EGBERN COc1cccc([C@@H](C)OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000744325372 576825474 /nfs/dbraw/zinc/82/54/74/576825474.db2.gz HIWBVAATOAHCOX-GFCCVEGCSA-N 0 0 345.351 3.459 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccccc2Cl)c1 ZINC000133902652 1293756576 /nfs/dbraw/zinc/75/65/76/1293756576.db2.gz ARSZBZDWVUAFMW-UHFFFAOYSA-N 0 0 327.745 3.157 10 5 EGBERN CCOc1ccc(C(=O)NCCc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000151191267 1293912589 /nfs/dbraw/zinc/91/25/89/1293912589.db2.gz MQJCHXHXKPJNFH-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN COc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000153869170 1294031244 /nfs/dbraw/zinc/03/12/44/1294031244.db2.gz SNDXGWUCZYHURY-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cccn(C2CC2)c1=O ZINC000869992150 1295583500 /nfs/dbraw/zinc/58/35/00/1295583500.db2.gz HPAGHIVCFDHLIR-UHFFFAOYSA-N 0 0 348.742 3.102 10 5 EGBERN Cc1ccc(OC(=O)c2cccn(C(C)(C)C)c2=O)c([N+](=O)[O-])c1 ZINC000870156398 1295709741 /nfs/dbraw/zinc/70/97/41/1295709741.db2.gz SSJCUYDBLIIVCW-UHFFFAOYSA-N 0 0 330.340 3.039 10 5 EGBERN Cc1cnc(F)c(C(=O)O[C@@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])c1 ZINC000870454459 1295881231 /nfs/dbraw/zinc/88/12/31/1295881231.db2.gz LFNJXAVSMUBIDS-QMTHXVAHSA-N 0 0 336.294 3.232 10 5 EGBERN COc1cnc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)c(F)c1 ZINC000870700929 1296028678 /nfs/dbraw/zinc/02/86/78/1296028678.db2.gz MDSFEIHKZODGGU-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000870718563 1296041457 /nfs/dbraw/zinc/04/14/57/1296041457.db2.gz PJORCLZJQIWXIZ-ZANVPECISA-N 0 0 346.305 3.253 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000870731395 1296049183 /nfs/dbraw/zinc/04/91/83/1296049183.db2.gz MQEWZIXNIQTNIR-CJNGLKHVSA-N 0 0 332.400 3.042 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC000870822500 1296101425 /nfs/dbraw/zinc/10/14/25/1296101425.db2.gz NDKFMSBILTZQSN-XYPYZODXSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1csc(Cl)c1 ZINC000870827470 1296104746 /nfs/dbraw/zinc/10/47/46/1296104746.db2.gz BJOPHEPEPGTVRV-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN Cc1cc(C)cc(CCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870828776 1296106349 /nfs/dbraw/zinc/10/63/49/1296106349.db2.gz VYABLJDCINLGMP-UHFFFAOYSA-N 0 0 343.383 3.288 10 5 EGBERN O=C(CCc1cccc(Cl)c1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827614 1296106696 /nfs/dbraw/zinc/10/66/96/1296106696.db2.gz BZBWWBDKURZFHP-UHFFFAOYSA-N 0 0 349.774 3.324 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1[C@H]2CCCCCC[C@H]12 ZINC000870830437 1296108002 /nfs/dbraw/zinc/10/80/02/1296108002.db2.gz BWATZTXWFVJFGT-MOQPVCNJSA-N 0 0 333.388 3.254 10 5 EGBERN CCC[C@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000230800585 1296167015 /nfs/dbraw/zinc/16/70/15/1296167015.db2.gz LVSQZCDXYXQBNZ-NSHDSACASA-N 0 0 346.177 3.468 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000871035191 1296187934 /nfs/dbraw/zinc/18/79/34/1296187934.db2.gz VFEQWZGWYQRUAM-JTQLQIEISA-N 0 0 346.355 3.212 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000871120129 1296233743 /nfs/dbraw/zinc/23/37/43/1296233743.db2.gz KSJFWCXEZFPZGT-ZFWWWQNUSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871123270 1296235105 /nfs/dbraw/zinc/23/51/05/1296235105.db2.gz OXXAPJAAIBSYJZ-UONOGXRCSA-N 0 0 338.791 3.326 10 5 EGBERN CC(C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCCO1 ZINC000871164204 1296252873 /nfs/dbraw/zinc/25/28/73/1296252873.db2.gz PSPIXOYPLHMZFD-HNNXBMFYSA-N 0 0 331.372 3.154 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871296626 1296327040 /nfs/dbraw/zinc/32/70/40/1296327040.db2.gz CFKYEEQTIGEWCR-YOEHRIQHSA-N 0 0 346.427 3.194 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OCc2nccn2CC(F)F)cc1Cl ZINC000871694710 1296484998 /nfs/dbraw/zinc/48/49/98/1296484998.db2.gz SIVDCRRYEBILOS-UHFFFAOYSA-N 0 0 335.669 3.428 10 5 EGBERN COc1cccc(/C(C)=C\C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000255056437 1296493658 /nfs/dbraw/zinc/49/36/58/1296493658.db2.gz XZJZIOQIUGWNRF-OWBHPGMISA-N 0 0 340.379 3.366 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NCc1c(Br)cnn1C ZINC000871834971 1296556375 /nfs/dbraw/zinc/55/63/75/1296556375.db2.gz CEVAUGXEEROULZ-UHFFFAOYSA-N 0 0 343.156 3.150 10 5 EGBERN C[C@@H](NCCC(=O)NC1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024867 1296669132 /nfs/dbraw/zinc/66/91/32/1296669132.db2.gz WSJOIDZAHKQYDZ-GFCCVEGCSA-N 0 0 337.395 3.224 10 5 EGBERN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067799 1296714840 /nfs/dbraw/zinc/71/48/40/1296714840.db2.gz CKVLGDPTABGNIP-QWRGUYRKSA-N 0 0 341.383 3.298 10 5 EGBERN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086696 1296725884 /nfs/dbraw/zinc/72/58/84/1296725884.db2.gz YGFWZOXVAFXDBW-IUPBHXKESA-N 0 0 330.306 3.199 10 5 EGBERN CCn1ncc(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000872140007 1296764977 /nfs/dbraw/zinc/76/49/77/1296764977.db2.gz VINWFJOUDRWRMW-MRXNPFEDSA-N 0 0 340.387 3.055 10 5 EGBERN Cn1cc(CNc2ccccc2N2CCCCCC2)c([N+](=O)[O-])n1 ZINC000876830713 1299021224 /nfs/dbraw/zinc/02/12/24/1299021224.db2.gz QHPRTODHULKYAC-UHFFFAOYSA-N 0 0 329.404 3.321 10 5 EGBERN CCCCOc1ccc(OC)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000876843577 1299030582 /nfs/dbraw/zinc/03/05/82/1299030582.db2.gz PWAQZSDASWSARM-UHFFFAOYSA-N 0 0 334.376 3.128 10 5 EGBERN CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864999939 1329660319 /nfs/dbraw/zinc/66/03/19/1329660319.db2.gz FAXLWTRSPZWAQO-UWVGGRQHSA-N 0 0 343.221 3.451 10 5 EGBERN COC[C@@H](COc1ccc(Br)nc1[N+](=O)[O-])C(C)C ZINC000877891883 1299621557 /nfs/dbraw/zinc/62/15/57/1299621557.db2.gz ZBHAAUQODXEVOU-VIFPVBQESA-N 0 0 333.182 3.050 10 5 EGBERN CC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000879501813 1300567648 /nfs/dbraw/zinc/56/76/48/1300567648.db2.gz QESKSNKWYNRZMS-UHFFFAOYSA-N 0 0 325.752 3.081 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2(C)C)cc1 ZINC000881659957 1301672066 /nfs/dbraw/zinc/67/20/66/1301672066.db2.gz HXZFMHNYPIUQQG-ZDUSSCGKSA-N 0 0 328.372 3.035 10 5 EGBERN CC/C=C(\C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864997 1301745424 /nfs/dbraw/zinc/74/54/24/1301745424.db2.gz IUYCKDUCRXRZIJ-RUDMXATFSA-N 0 0 327.178 3.330 10 5 EGBERN CC(=O)c1c(NCc2nccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000881911260 1301754295 /nfs/dbraw/zinc/75/42/95/1301754295.db2.gz CONBGHBUABNISB-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCCCO2)CC1 ZINC000882429273 1301960303 /nfs/dbraw/zinc/96/03/03/1301960303.db2.gz IOQIAVBOCOJBNH-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000882549905 1302015938 /nfs/dbraw/zinc/01/59/38/1302015938.db2.gz OZSAKEUJNXCMMV-AAEUAGOBSA-N 0 0 336.363 3.055 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888823566 1304291076 /nfs/dbraw/zinc/29/10/76/1304291076.db2.gz HOXJRXVHNJEIGQ-UGSOOPFHSA-N 0 0 341.342 3.280 10 5 EGBERN C/C(=C\C(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000890172450 1304692017 /nfs/dbraw/zinc/69/20/17/1304692017.db2.gz PHTJOMAYLYJUTK-GBBNAMRBSA-N 0 0 342.395 3.074 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC000893333761 1305834853 /nfs/dbraw/zinc/83/48/53/1305834853.db2.gz WCXDGBXXERFRBO-ZDUSSCGKSA-N 0 0 340.807 3.112 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCn2c(C)cnc21 ZINC000893525893 1305950665 /nfs/dbraw/zinc/95/06/65/1305950665.db2.gz ZWHHWSNHOGZHEB-ZBFHGGJFSA-N 0 0 343.383 3.357 10 5 EGBERN C[C@@H](C(=O)O[C@@H]1CO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000893649129 1306007135 /nfs/dbraw/zinc/00/71/35/1306007135.db2.gz DZOPRJABITUOKC-CSMYWGQOSA-N 0 0 327.336 3.382 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C(C)(C)C1 ZINC000893669787 1306020017 /nfs/dbraw/zinc/02/00/17/1306020017.db2.gz CPBBBIYMHJHUER-NSHDSACASA-N 0 0 334.372 3.017 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000894019441 1306177717 /nfs/dbraw/zinc/17/77/17/1306177717.db2.gz NCACAYSCBPDTOK-TZMCWYRMSA-N 0 0 342.399 3.125 10 5 EGBERN Cc1nn(C)c(C(=O)N(CC2CC2)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000894235264 1306293549 /nfs/dbraw/zinc/29/35/49/1306293549.db2.gz RFLYMZXKHMUBJA-UHFFFAOYSA-N 0 0 328.372 3.002 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cc(C3CC3)no2)cc1Cl ZINC000894266388 1306312408 /nfs/dbraw/zinc/31/24/08/1306312408.db2.gz NHYZZFMHZNWDGL-UHFFFAOYSA-N 0 0 335.747 3.352 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894402633 1308856340 /nfs/dbraw/zinc/85/63/40/1308856340.db2.gz PJNRPBDZZSAEQX-RDJZCZTQSA-N 0 0 346.427 3.239 10 5 EGBERN C/C(=C\C(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000894403294 1308857575 /nfs/dbraw/zinc/85/75/75/1308857575.db2.gz VEIKANMEYDHAES-LRFDDAOPSA-N 0 0 330.384 3.074 10 5 EGBERN COc1c(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894654584 1309005295 /nfs/dbraw/zinc/00/52/95/1309005295.db2.gz CNYGSMPGXIXJOG-KRWDZBQOSA-N 0 0 348.399 3.073 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894712425 1309032217 /nfs/dbraw/zinc/03/22/17/1309032217.db2.gz MPWYMQVUSMWHDG-GJZGRUSLSA-N 0 0 332.400 3.161 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000894778834 1309066125 /nfs/dbraw/zinc/06/61/25/1309066125.db2.gz ZSPQYFRZVWHIPR-APPDUMDISA-N 0 0 347.802 3.395 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000895443588 1309339478 /nfs/dbraw/zinc/33/94/78/1309339478.db2.gz OWQWNKUVCFXWBR-JOYOIKCWSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895842878 1309551164 /nfs/dbraw/zinc/55/11/64/1309551164.db2.gz GGTHPKDNSCMSPU-SMDDNHRTSA-N 0 0 342.342 3.197 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898397356 1310711916 /nfs/dbraw/zinc/71/19/16/1310711916.db2.gz LLZXFAGZWWNNRN-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1C ZINC000898988148 1310900387 /nfs/dbraw/zinc/90/03/87/1310900387.db2.gz SXHYHXILFJIDNR-LLVKDONJSA-N 0 0 346.305 3.005 10 5 EGBERN C[C@H](c1ccc(F)nc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929268178 1328552864 /nfs/dbraw/zinc/55/28/64/1328552864.db2.gz BVOVDQYJDXTMCD-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCc2cccnc21 ZINC000857970391 1328644728 /nfs/dbraw/zinc/64/47/28/1328644728.db2.gz PZSZRMPOKVGBQJ-KVNDZABWSA-N 0 0 337.379 3.239 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cncc21 ZINC000857981687 1328647311 /nfs/dbraw/zinc/64/73/11/1328647311.db2.gz INGFCDOJUAIBBI-CYBMUJFWSA-N 0 0 346.412 3.168 10 5 EGBERN Cc1ccnc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1[N+](=O)[O-] ZINC000858009418 1328655243 /nfs/dbraw/zinc/65/52/43/1328655243.db2.gz ONOFTHMQUTXQEK-OAHLLOKOSA-N 0 0 340.383 3.228 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cn1 ZINC000858009109 1328655313 /nfs/dbraw/zinc/65/53/13/1328655313.db2.gz PJEKKSIUFQWTDX-INIZCTEOSA-N 0 0 340.383 3.310 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H]2COC3(CCCC3)O2)ccc2cnccc21 ZINC000858467652 1328769408 /nfs/dbraw/zinc/76/94/08/1328769408.db2.gz QWLLVMSLNSUDCW-ZDUSSCGKSA-N 0 0 329.356 3.241 10 5 EGBERN Cn1ccnc1[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858517180 1328785872 /nfs/dbraw/zinc/78/58/72/1328785872.db2.gz OWKZOIQUKFIAJF-AWEZNQCLSA-N 0 0 337.383 3.261 10 5 EGBERN CO[C@@H]1CCC[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386420 1319021523 /nfs/dbraw/zinc/02/15/23/1319021523.db2.gz UKWBAVQRCACZFR-WDEREUQCSA-N 0 0 344.770 3.209 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CCSC1 ZINC000913421865 1319033466 /nfs/dbraw/zinc/03/34/66/1319033466.db2.gz OAHMFYKTRFAIIS-NSHDSACASA-N 0 0 342.848 3.440 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913667459 1319092114 /nfs/dbraw/zinc/09/21/14/1319092114.db2.gz FLBWGQZWWVWIHA-SCZZXKLOSA-N 0 0 330.743 3.027 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913727564 1319109096 /nfs/dbraw/zinc/10/90/96/1319109096.db2.gz LCRQWIHDWVBYMX-UHFFFAOYSA-N 0 0 344.648 3.391 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000914239474 1319274908 /nfs/dbraw/zinc/27/49/08/1319274908.db2.gz FPTJHYCACCIZBB-PTOFAABTSA-N 0 0 331.294 3.153 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)OC1 ZINC000914297040 1319288449 /nfs/dbraw/zinc/28/84/49/1319288449.db2.gz RLYWKWIWQJKCQD-JTQLQIEISA-N 0 0 326.780 3.183 10 5 EGBERN O=C(NCC1(CC2CC2)CC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000914344966 1319301872 /nfs/dbraw/zinc/30/18/72/1319301872.db2.gz TWPDDWJVHVGDKL-UHFFFAOYSA-N 0 0 346.383 3.066 10 5 EGBERN CC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000915114253 1319423720 /nfs/dbraw/zinc/42/37/20/1319423720.db2.gz OKGJBWMJTSAQDH-MRXNPFEDSA-N 0 0 338.367 3.212 10 5 EGBERN COCCN(Cc1ccccn1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000917088637 1319753478 /nfs/dbraw/zinc/75/34/78/1319753478.db2.gz BWKYNIPKKFIGQO-UHFFFAOYSA-N 0 0 338.367 3.191 10 5 EGBERN CCn1c(SC[C@@H]2CC(C)=NO2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000917249686 1319775867 /nfs/dbraw/zinc/77/58/67/1319775867.db2.gz AHCLONCSWAKOGR-ZDUSSCGKSA-N 0 0 347.400 3.130 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(F)c1F ZINC000917796390 1319872863 /nfs/dbraw/zinc/87/28/63/1319872863.db2.gz SVJFCXARVCSPJK-RCOVLWMOSA-N 0 0 327.205 3.362 10 5 EGBERN Cn1nc(C(F)(F)F)cc1COc1cc([N+](=O)[O-])c(F)cc1F ZINC000917828935 1319877567 /nfs/dbraw/zinc/87/75/67/1319877567.db2.gz IXLGDXKSTMOFKP-UHFFFAOYSA-N 0 0 337.204 3.204 10 5 EGBERN CC(C)c1nsc(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)n1 ZINC000918010859 1319904628 /nfs/dbraw/zinc/90/46/28/1319904628.db2.gz RZAQXXDADCUQQU-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN COc1ccc([C@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)cc1F ZINC000858842602 1328874283 /nfs/dbraw/zinc/87/42/83/1328874283.db2.gz VHKFXUZMZVCEDV-LBPRGKRZSA-N 0 0 331.347 3.319 10 5 EGBERN CN(OCC(F)(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000858870537 1328880701 /nfs/dbraw/zinc/88/07/01/1328880701.db2.gz YLCJTAFODHRUER-UHFFFAOYSA-N 0 0 329.072 3.287 10 5 EGBERN Cc1nc(C)c(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)[nH]1 ZINC000930723480 1328950384 /nfs/dbraw/zinc/95/03/84/1328950384.db2.gz MIOKTQIDRVAOPM-ZDUSSCGKSA-N 0 0 346.284 3.467 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc(-c2cccs2)[nH]n1 ZINC000919194329 1322038013 /nfs/dbraw/zinc/03/80/13/1322038013.db2.gz QFOHRQHCNSXKNT-UHFFFAOYSA-N 0 0 335.366 3.465 10 5 EGBERN CCC[C@H](C)N1C[C@@H](C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000919585448 1322081753 /nfs/dbraw/zinc/08/17/53/1322081753.db2.gz UDSPUTWZILHTSW-YDHLFZDLSA-N 0 0 348.399 3.236 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3C[C@@H]4CCC[C@H]4O3)n2)c1 ZINC000920417416 1322174903 /nfs/dbraw/zinc/17/49/03/1322174903.db2.gz OFGKTLUSMGDULN-LEWSCRJBSA-N 0 0 348.790 3.464 10 5 EGBERN CC1(C)CC[C@@H](n2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)C1=O ZINC000920416616 1322174974 /nfs/dbraw/zinc/17/49/74/1322174974.db2.gz DSHRYWKVPPNUDK-LLVKDONJSA-N 0 0 334.763 3.437 10 5 EGBERN CCc1onc(C)c1Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC000920417224 1322175530 /nfs/dbraw/zinc/17/55/30/1322175530.db2.gz JYRPFZUSJHBZBW-UHFFFAOYSA-N 0 0 347.762 3.414 10 5 EGBERN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)NCc1cccc([N+](=O)[O-])c1 ZINC000930920796 1329007447 /nfs/dbraw/zinc/00/74/47/1329007447.db2.gz IESOYHJABNLBAS-QWHCGFSZSA-N 0 0 346.305 3.101 10 5 EGBERN C[C@@H](OC(=O)c1ccc(NC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000920538420 1322191054 /nfs/dbraw/zinc/19/10/54/1322191054.db2.gz DIUKPNXNAUTYIN-LLVKDONJSA-N 0 0 327.340 3.482 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCSC2(CCC2)C1 ZINC000920598170 1322197134 /nfs/dbraw/zinc/19/71/34/1322197134.db2.gz DOEMQDKSHPKWCN-CQSZACIVSA-N 0 0 349.456 3.255 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(F)(C2CC2)CC1 ZINC000920599477 1322197144 /nfs/dbraw/zinc/19/71/44/1322197144.db2.gz VEZIUCSRRDNOOW-UHFFFAOYSA-N 0 0 335.379 3.061 10 5 EGBERN C[C@H](NC(=O)NCc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000921805709 1322400698 /nfs/dbraw/zinc/40/06/98/1322400698.db2.gz FYALHTWGMACVPL-JTQLQIEISA-N 0 0 346.412 3.100 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(CCCCO2)CC1 ZINC000922062947 1322447079 /nfs/dbraw/zinc/44/70/79/1322447079.db2.gz XDCOGWQFJFTWHW-UHFFFAOYSA-N 0 0 336.363 3.218 10 5 EGBERN Cc1sc(C(=O)OCc2cc(C(F)(F)F)n(C)n2)cc1[N+](=O)[O-] ZINC000922320911 1322500389 /nfs/dbraw/zinc/50/03/89/1322500389.db2.gz STMKOOVDDQGBCM-UHFFFAOYSA-N 0 0 349.290 3.074 10 5 EGBERN O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000922523296 1322548137 /nfs/dbraw/zinc/54/81/37/1322548137.db2.gz JXOIVRAYWYTHRK-KWQFWETISA-N 0 0 337.225 3.001 10 5 EGBERN Cc1cc(COC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C)nn1 ZINC000922610836 1322570665 /nfs/dbraw/zinc/57/06/65/1322570665.db2.gz GPZLDBZVCKCPGZ-UHFFFAOYSA-N 0 0 335.747 3.320 10 5 EGBERN CC(=O)NCCCCCOC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000922628960 1322574839 /nfs/dbraw/zinc/57/48/39/1322574839.db2.gz HDBOQVCFTWOAPD-UHFFFAOYSA-N 0 0 336.388 3.181 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@H]1CC12CC2 ZINC000922807506 1322623222 /nfs/dbraw/zinc/62/32/22/1322623222.db2.gz BUMRWLMCBDRUQF-SNVBAGLBSA-N 0 0 326.146 3.201 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCc1cc2n(n1)CCC2 ZINC000923599403 1322779363 /nfs/dbraw/zinc/77/93/63/1322779363.db2.gz UTDDCMNXICQQGG-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN CCc1cnc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000923595230 1322779534 /nfs/dbraw/zinc/77/95/34/1322779534.db2.gz QZYWSVZNCRCUSF-UHFFFAOYSA-N 0 0 338.747 3.475 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923643793 1322786716 /nfs/dbraw/zinc/78/67/16/1322786716.db2.gz MLSWXIDKBAYQBY-CSMYWGQOSA-N 0 0 347.415 3.303 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931110088 1329053098 /nfs/dbraw/zinc/05/30/98/1329053098.db2.gz UDIDSKCNGDNRLF-UHFFFAOYSA-N 0 0 336.285 3.467 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000923911276 1322845040 /nfs/dbraw/zinc/84/50/40/1322845040.db2.gz RHLIENHRIRGWSF-KRWDZBQOSA-N 0 0 340.383 3.249 10 5 EGBERN CCOc1ccc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])nc1 ZINC000923963786 1322857844 /nfs/dbraw/zinc/85/78/44/1322857844.db2.gz PMZYPYCUYBMUSJ-UHFFFAOYSA-N 0 0 348.330 3.204 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924045632 1322883440 /nfs/dbraw/zinc/88/34/40/1322883440.db2.gz FPSXPKLVKNSYRL-IUODEOHRSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(NC[C@@H]1CC2(CCC2)CO1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000924111060 1322903282 /nfs/dbraw/zinc/90/32/82/1322903282.db2.gz BASONICNMGKYPQ-JTQLQIEISA-N 0 0 342.754 3.076 10 5 EGBERN CC1(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)COC1 ZINC000924116980 1322905486 /nfs/dbraw/zinc/90/54/86/1322905486.db2.gz BRZHBHLMADPKJV-UHFFFAOYSA-N 0 0 333.262 3.083 10 5 EGBERN O=C(COC(=O)c1cc[nH]c1C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859694210 1329056450 /nfs/dbraw/zinc/05/64/50/1329056450.db2.gz GGTIGETWNKGCJW-UHFFFAOYSA-N 0 0 346.314 3.369 10 5 EGBERN O=C(OC[C@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810804 1329082918 /nfs/dbraw/zinc/08/29/18/1329082918.db2.gz CJPJBBWCJFVYQC-SWLSCSKDSA-N 0 0 329.352 3.456 10 5 EGBERN O=C(OC[C@@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810803 1329083314 /nfs/dbraw/zinc/08/33/14/1329083314.db2.gz CJPJBBWCJFVYQC-IUODEOHRSA-N 0 0 329.352 3.456 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000931333455 1329096336 /nfs/dbraw/zinc/09/63/36/1329096336.db2.gz FWGIKQAUNNFNHX-UHFFFAOYSA-N 0 0 328.166 3.375 10 5 EGBERN O=c1ccc([C@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000859890057 1329107109 /nfs/dbraw/zinc/10/71/09/1329107109.db2.gz PLMYPVVAVIGYGG-CYBMUJFWSA-N 0 0 334.763 3.081 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000931449453 1329120145 /nfs/dbraw/zinc/12/01/45/1329120145.db2.gz YGSGVWCQHYVGSU-UITAMQMPSA-N 0 0 328.324 3.099 10 5 EGBERN COc1cc(COC(=O)[C@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000860069981 1329140274 /nfs/dbraw/zinc/14/02/74/1329140274.db2.gz JOMAFTYURAJHFK-GFCCVEGCSA-N 0 0 337.372 3.240 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000860071283 1329140352 /nfs/dbraw/zinc/14/03/52/1329140352.db2.gz KAZLQBLFBKSVIW-ZDUSSCGKSA-N 0 0 337.372 3.240 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000931624688 1329156261 /nfs/dbraw/zinc/15/62/61/1329156261.db2.gz UUSKBLHHXFQZKZ-MFKMUULPSA-N 0 0 339.779 3.103 10 5 EGBERN Cc1ccncc1CN(C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925241873 1325093081 /nfs/dbraw/zinc/09/30/81/1325093081.db2.gz TVUOSYDFRGLIST-CYBMUJFWSA-N 0 0 328.372 3.201 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925248382 1325096299 /nfs/dbraw/zinc/09/62/99/1325096299.db2.gz XJQJOUXNRKKYIK-QMTHXVAHSA-N 0 0 325.315 3.097 10 5 EGBERN CCO[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000860369947 1329310331 /nfs/dbraw/zinc/31/03/31/1329310331.db2.gz YRBPOOSYWHXTHB-OAHLLOKOSA-N 0 0 348.355 3.354 10 5 EGBERN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031252 1327825695 /nfs/dbraw/zinc/82/56/95/1327825695.db2.gz WVBPJNHJUVZVOA-XPKDYRNWSA-N 0 0 346.456 3.291 10 5 EGBERN C[C@@H](NCc1nc2c(s1)COCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000927114420 1327874137 /nfs/dbraw/zinc/87/41/37/1327874137.db2.gz FNXPZMKUKYGOFA-SECBINFHSA-N 0 0 337.376 3.114 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927286406 1327956611 /nfs/dbraw/zinc/95/66/11/1327956611.db2.gz QBELDJRKEDBNMG-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000861181215 1329395195 /nfs/dbraw/zinc/39/51/95/1329395195.db2.gz LLBFYTINTFANNG-PSASIEDQSA-N 0 0 344.161 3.078 10 5 EGBERN Cc1cccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000928140376 1328214577 /nfs/dbraw/zinc/21/45/77/1328214577.db2.gz GXKYWCIIPFPLJD-SNVBAGLBSA-N 0 0 334.319 3.023 10 5 EGBERN C/C(=C\C(=O)N[C@@H](c1ncccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928582281 1328362247 /nfs/dbraw/zinc/36/22/47/1328362247.db2.gz TXVFSTRNYNTUBZ-FMQWLBJXSA-N 0 0 338.367 3.056 10 5 EGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C2CC2)O1 ZINC000861430599 1329417540 /nfs/dbraw/zinc/41/75/40/1329417540.db2.gz FFERBPCOBCHWLO-KPZWWZAWSA-N 0 0 340.379 3.388 10 5 EGBERN CC(C)(/C=C/Cl)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928935832 1328477398 /nfs/dbraw/zinc/47/73/98/1328477398.db2.gz FPCPLLLDLKWLDC-MDZDMXLPSA-N 0 0 325.796 3.434 10 5 EGBERN CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000861786194 1329441829 /nfs/dbraw/zinc/44/18/29/1329441829.db2.gz SIYCGDJWPCCAMH-GOSISDBHSA-N 0 0 328.368 3.293 10 5 EGBERN C[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000861849764 1329445638 /nfs/dbraw/zinc/44/56/38/1329445638.db2.gz YJIKZOTYNUSNFH-SMDDNHRTSA-N 0 0 344.342 3.162 10 5 EGBERN CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861915232 1329450128 /nfs/dbraw/zinc/45/01/28/1329450128.db2.gz DQIWGFMKHDYEKF-OAHLLOKOSA-N 0 0 341.411 3.304 10 5 EGBERN O=C(NCCC[C@H]1CCOC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861926787 1329451347 /nfs/dbraw/zinc/45/13/47/1329451347.db2.gz BVUAQUZJLJBAMU-ZDUSSCGKSA-N 0 0 328.368 3.295 10 5 EGBERN COC1([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000861997858 1329454349 /nfs/dbraw/zinc/45/43/49/1329454349.db2.gz WBUYRMFMUADJOQ-GFCCVEGCSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H](O)CC12CCC2 ZINC000862017601 1329455479 /nfs/dbraw/zinc/45/54/79/1329455479.db2.gz DJILRLOLFNRZGA-OAHLLOKOSA-N 0 0 340.379 3.268 10 5 EGBERN COC1CC(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862154001 1329462671 /nfs/dbraw/zinc/46/26/71/1329462671.db2.gz DHBOBKPOYVXOTJ-UHFFFAOYSA-N 0 0 328.368 3.293 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000862374579 1329479887 /nfs/dbraw/zinc/47/98/87/1329479887.db2.gz OIPYPJQDEAAUKQ-OUAUKWLOSA-N 0 0 340.782 3.482 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1 ZINC000862727788 1329505664 /nfs/dbraw/zinc/50/56/64/1329505664.db2.gz LYSLLDLNFWBANW-GCENKBPGSA-N 0 0 332.425 3.495 10 5 EGBERN CC(C)CCSc1ccc(C(=O)Nn2cccn2)cc1[N+](=O)[O-] ZINC000862764841 1329507719 /nfs/dbraw/zinc/50/77/19/1329507719.db2.gz UBLVMZSROYUMNF-UHFFFAOYSA-N 0 0 334.401 3.313 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(C)(C)C)Cc3ccccc32)n1 ZINC000863255209 1329539841 /nfs/dbraw/zinc/53/98/41/1329539841.db2.gz AWHIFFYYMVEEMS-CYBMUJFWSA-N 0 0 342.399 3.194 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863588265 1329565143 /nfs/dbraw/zinc/56/51/43/1329565143.db2.gz HXQIOCIMFNUHAH-GUYCJALGSA-N 0 0 347.371 3.227 10 5 EGBERN COc1ccc(NC(=O)c2cnn(CC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000864135597 1329600889 /nfs/dbraw/zinc/60/08/89/1329600889.db2.gz UBZSONROOUTJED-UHFFFAOYSA-N 0 0 344.371 3.242 10 5 EGBERN CCC[C@@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864692049 1329638442 /nfs/dbraw/zinc/63/84/42/1329638442.db2.gz DESLWDNDTAQITM-SECBINFHSA-N 0 0 329.194 3.205 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(C[C@H]3CC4(CO3)CCOCC4)c2)cc1 ZINC000865355159 1329688514 /nfs/dbraw/zinc/68/85/14/1329688514.db2.gz BNRJTQNPFWXFOC-QGZVFWFLSA-N 0 0 343.383 3.044 10 5 EGBERN Nc1nc2c(s1)CN(c1ccc([N+](=O)[O-])cc1C(F)F)CC2 ZINC000865442907 1329697946 /nfs/dbraw/zinc/69/79/46/1329697946.db2.gz PULFEVRVCNQVST-UHFFFAOYSA-N 0 0 326.328 3.134 10 5 EGBERN CCS(=O)(=O)C[C@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865539696 1329711172 /nfs/dbraw/zinc/71/11/72/1329711172.db2.gz YJFNILWAMHHYSY-ZETCQYMHSA-N 0 0 341.216 3.137 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCC1=O ZINC000865687065 1329729292 /nfs/dbraw/zinc/72/92/92/1329729292.db2.gz XQXLXLCGRNSJAI-ZDUSSCGKSA-N 0 0 338.363 3.241 10 5 EGBERN Cc1ccccc1[C@@H](O)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000865797843 1329739421 /nfs/dbraw/zinc/73/94/21/1329739421.db2.gz MWTQSSDVYJYPME-KRWDZBQOSA-N 0 0 345.374 3.387 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@H]1CC1(Cl)Cl ZINC000865961249 1329754976 /nfs/dbraw/zinc/75/49/76/1329754976.db2.gz NTSHXPPMDBLAHV-RXMQYKEDSA-N 0 0 347.124 3.343 10 5 EGBERN CC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000934209002 1329955852 /nfs/dbraw/zinc/95/58/52/1329955852.db2.gz IBSSKSKDHOUETL-AWEZNQCLSA-N 0 0 328.372 3.087 10 5 EGBERN CCC(=O)c1ccc(N2CCO[C@](C)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000866157793 1330071967 /nfs/dbraw/zinc/07/19/67/1330071967.db2.gz IBWVBFMTHUHJRO-AWEZNQCLSA-N 0 0 346.305 3.345 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866174019 1330073290 /nfs/dbraw/zinc/07/32/90/1330073290.db2.gz HBDPAVUUXFAMGQ-AWEZNQCLSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2CC3(CO2)CCOCC3)ccc2cnccc21 ZINC000866174444 1330073574 /nfs/dbraw/zinc/07/35/74/1330073574.db2.gz KUFFYZXYUHGBIN-AWEZNQCLSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000866180601 1330074316 /nfs/dbraw/zinc/07/43/16/1330074316.db2.gz SXGFKTJKQXNBBA-JQWIXIFHSA-N 0 0 345.321 3.483 10 5 EGBERN CCOc1cc(NCc2nn(C)cc2C(F)F)ccc1[N+](=O)[O-] ZINC000866194249 1330076627 /nfs/dbraw/zinc/07/66/27/1330076627.db2.gz VEIJICPZVHXPRX-UHFFFAOYSA-N 0 0 326.303 3.277 10 5 EGBERN Cc1ccc(NCc2ccc(CN3CCNC3=O)cc2)c([N+](=O)[O-])c1 ZINC000866197218 1330077311 /nfs/dbraw/zinc/07/73/11/1330077311.db2.gz LSBRVSSNTKGISF-UHFFFAOYSA-N 0 0 340.383 3.041 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3nc(C4CCC4)no3)CC2)c(F)c1 ZINC000866199918 1330077686 /nfs/dbraw/zinc/07/76/86/1330077686.db2.gz RVFSKKAGIYIBCL-UHFFFAOYSA-N 0 0 347.350 3.163 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CSC[C@H]3C2)cc1OC(F)F ZINC000866202542 1330077924 /nfs/dbraw/zinc/07/79/24/1330077924.db2.gz BVRDIJKVSISXCH-NXEZZACHSA-N 0 0 330.356 3.386 10 5 EGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2CCC2(F)F)c(Cl)c1 ZINC000866378350 1330104058 /nfs/dbraw/zinc/10/40/58/1330104058.db2.gz ZYIJWCNSPZNUIF-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000868655463 1330306917 /nfs/dbraw/zinc/30/69/17/1330306917.db2.gz POLVZUWJZBSLQI-NUTKFTJISA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868682477 1330314332 /nfs/dbraw/zinc/31/43/32/1330314332.db2.gz DBTHCNZOJALMCI-KOLCDFICSA-N 0 0 348.296 3.466 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000868988618 1330388022 /nfs/dbraw/zinc/38/80/22/1330388022.db2.gz ACYXBEZEBRESGO-DLBZAZTESA-N 0 0 347.415 3.050 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H](c2cccnc2)C1 ZINC000869044477 1330400793 /nfs/dbraw/zinc/40/07/93/1330400793.db2.gz OIDGIUFFGPHUKB-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000869053623 1330403301 /nfs/dbraw/zinc/40/33/01/1330403301.db2.gz PIRMMUSLQLQGIY-MRXNPFEDSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000869053475 1330403568 /nfs/dbraw/zinc/40/35/68/1330403568.db2.gz APDNHGOXSPNFAI-HZPDHXFCSA-N 0 0 347.415 3.002 10 5 EGBERN CCN(Cc1ccccn1)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869053781 1330403899 /nfs/dbraw/zinc/40/38/99/1330403899.db2.gz TXYBBOMIRIWGKL-UHFFFAOYSA-N 0 0 328.372 3.030 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000869489405 1330510392 /nfs/dbraw/zinc/51/03/92/1330510392.db2.gz HVDADKPPQBDWJK-UHFFFAOYSA-N 0 0 334.372 3.039 10 5 EGBERN CC(C)(C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000869715072 1330551521 /nfs/dbraw/zinc/55/15/21/1330551521.db2.gz LOBZYRAEWXNILN-CQSZACIVSA-N 0 0 325.336 3.372 10 5 EGBERN O=C(OC[C@@H]1CCC[C@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809775 1330568472 /nfs/dbraw/zinc/56/84/72/1330568472.db2.gz AGXSDHABETXRAC-CJNGLKHVSA-N 0 0 333.384 3.111 10 5 EGBERN O=C(Nc1c[nH]nc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001183275515 1387289583 /nfs/dbraw/zinc/28/95/83/1387289583.db2.gz MYVPLATZXDHVJF-UHFFFAOYSA-N 0 0 349.778 3.214 10 5 EGBERN CCN1C[C@H](CN(C)c2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC001184674929 1387506701 /nfs/dbraw/zinc/50/67/01/1387506701.db2.gz ZRSMPISJWHONCO-ZDUSSCGKSA-N 0 0 345.374 3.458 10 5 EGBERN Cc1cccc(CN(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC001184958084 1387574214 /nfs/dbraw/zinc/57/42/14/1387574214.db2.gz NBZVDNXMWDORSY-UHFFFAOYSA-N 0 0 337.379 3.392 10 5 EGBERN COc1ccc(-c2nc(CCNc3cccnc3[N+](=O)[O-])co2)cc1 ZINC001185180584 1387637213 /nfs/dbraw/zinc/63/72/13/1387637213.db2.gz OFSTYTLXRUCREF-UHFFFAOYSA-N 0 0 340.339 3.308 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NC[C@H](O)COCC1CC1 ZINC001185204754 1387648884 /nfs/dbraw/zinc/64/88/84/1387648884.db2.gz QXNUYDZYJGAQAN-VIFPVBQESA-N 0 0 335.187 3.101 10 5 EGBERN C[C@H](Cc1cccs1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001185639331 1387766600 /nfs/dbraw/zinc/76/66/00/1387766600.db2.gz INZYMSJWXWCLTA-MRVPVSSYSA-N 0 0 348.350 3.476 10 5 EGBERN C[C@H](Cc1ccccc1Br)Nc1c([N+](=O)[O-])cnn1C ZINC001185767353 1387794056 /nfs/dbraw/zinc/79/40/56/1387794056.db2.gz UEVGJMYZPQOOJI-SECBINFHSA-N 0 0 339.193 3.134 10 5 EGBERN C[C@H]1CC[C@H](C(=O)N(C)CCN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001105436152 1366467374 /nfs/dbraw/zinc/46/73/74/1366467374.db2.gz VKXFQQSEJWGCNM-SHTZXODSSA-N 0 0 333.432 3.316 10 5 EGBERN Cc1nc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC001105436206 1366468018 /nfs/dbraw/zinc/46/80/18/1366468018.db2.gz YKIMAJCXXXIPKR-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN COC(=O)c1sccc1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001189626792 1367071857 /nfs/dbraw/zinc/07/18/57/1367071857.db2.gz OXXREXVOENOPPT-UHFFFAOYSA-N 0 0 343.364 3.355 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cccc2cc[nH]c21 ZINC001186121194 1387873974 /nfs/dbraw/zinc/87/39/74/1387873974.db2.gz NQJVVBGSXSECJD-UHFFFAOYSA-N 0 0 339.277 3.441 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 ZINC001192391596 1367772206 /nfs/dbraw/zinc/77/22/06/1367772206.db2.gz SLFVXIDBYFRRSF-MNOVXSKESA-N 0 0 347.159 3.444 10 5 EGBERN C[C@H]1COCC[C@@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186382064 1387932175 /nfs/dbraw/zinc/93/21/75/1387932175.db2.gz ZXRPBXRKPVPGEU-WDEREUQCSA-N 0 0 335.791 3.303 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCC[C@H]1CCOC1 ZINC001186453216 1387945992 /nfs/dbraw/zinc/94/59/92/1387945992.db2.gz YOJOEKNGZLYUEN-NSHDSACASA-N 0 0 335.791 3.447 10 5 EGBERN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)(C)C(=O)OC ZINC001198033541 1368946887 /nfs/dbraw/zinc/94/68/87/1368946887.db2.gz ITXHBUCMXCKSEC-UHFFFAOYSA-N 0 0 338.404 3.156 10 5 EGBERN Cc1cc(N2CCO[C@@]3(CCSC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001325977950 1388099023 /nfs/dbraw/zinc/09/90/23/1388099023.db2.gz YOPQSJRIJGXZBU-AWEZNQCLSA-N 0 0 328.821 3.269 10 5 EGBERN Cc1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC001325975918 1388099056 /nfs/dbraw/zinc/09/90/56/1388099056.db2.gz KINOSHVOYBPVDY-PWSUYJOCSA-N 0 0 341.205 3.281 10 5 EGBERN Cc1nc(CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)sc1C ZINC001116376677 1370897920 /nfs/dbraw/zinc/89/79/20/1370897920.db2.gz HSVSOAUFHRJSQF-UHFFFAOYSA-N 0 0 331.397 3.190 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](Cn2ccnc2)c2ccccc2)nc2ccccn21 ZINC001187430966 1388107093 /nfs/dbraw/zinc/10/70/93/1388107093.db2.gz UWCOVGOVKPSCNU-HNNXBMFYSA-N 0 0 348.366 3.292 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001187558891 1388126047 /nfs/dbraw/zinc/12/60/47/1388126047.db2.gz MBHCANAGUAAXMB-KWQFWETISA-N 0 0 349.265 3.415 10 5 EGBERN CC(C)c1nc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c[nH]1 ZINC001187724109 1388151232 /nfs/dbraw/zinc/15/12/32/1388151232.db2.gz DJWPZHLAPJINPB-UHFFFAOYSA-N 0 0 329.335 3.163 10 5 EGBERN CCc1ccc2c(c1)CCN2c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC001187871988 1388181003 /nfs/dbraw/zinc/18/10/03/1388181003.db2.gz QYSMQFVOUKFKHD-UHFFFAOYSA-N 0 0 325.368 3.211 10 5 EGBERN Cc1cnc(C(=O)O[C@@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])cc1C ZINC001123132393 1372386082 /nfs/dbraw/zinc/38/60/82/1372386082.db2.gz IZRUTRYWNWAKOW-BLLLJJGKSA-N 0 0 332.331 3.401 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001124032105 1372661278 /nfs/dbraw/zinc/66/12/78/1372661278.db2.gz XEYJMBQZQVJVIT-DLBZAZTESA-N 0 0 343.383 3.250 10 5 EGBERN O=C(Oc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124315725 1372690384 /nfs/dbraw/zinc/69/03/84/1372690384.db2.gz RZXFTYKAXUGPRI-UHFFFAOYSA-N 0 0 327.271 3.139 10 5 EGBERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001124340438 1372693346 /nfs/dbraw/zinc/69/33/46/1372693346.db2.gz AGKPALSESWEBNC-HNNXBMFYSA-N 0 0 340.335 3.266 10 5 EGBERN Cc1cccc(CO[C@@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001124642605 1372719425 /nfs/dbraw/zinc/71/94/25/1372719425.db2.gz NQKUASYDWRYNPH-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCCCCC1 ZINC001124808340 1372732667 /nfs/dbraw/zinc/73/26/67/1372732667.db2.gz ZOUYLDCWWKKBFP-UHFFFAOYSA-N 0 0 348.399 3.207 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC001124961317 1372743658 /nfs/dbraw/zinc/74/36/58/1372743658.db2.gz IWTCXDMEYYTCPK-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc2cc[nH]c2c1 ZINC001125013628 1372746924 /nfs/dbraw/zinc/74/69/24/1372746924.db2.gz BTJLZFIGBSRLNJ-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN CCNC(=O)c1ccc(C)c(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001125049563 1372749740 /nfs/dbraw/zinc/74/97/40/1372749740.db2.gz KTUZMVLPDLCDBN-UHFFFAOYSA-N 0 0 345.330 3.044 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Oc2cc([N+](=O)[O-])ccc2C)c1 ZINC001125150343 1372757154 /nfs/dbraw/zinc/75/71/54/1372757154.db2.gz ZDUSUQFWABEYIB-INIZCTEOSA-N 0 0 331.324 3.205 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC001125169297 1372757536 /nfs/dbraw/zinc/75/75/36/1372757536.db2.gz YBMMDBCYZGDDKW-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN O=C(Cc1ccc(F)c(Cl)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001125382122 1372779131 /nfs/dbraw/zinc/77/91/31/1372779131.db2.gz JNPVBGXVAYMJQR-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3c(C)ccc(F)c32)n1 ZINC001125813068 1372863286 /nfs/dbraw/zinc/86/32/86/1372863286.db2.gz SDNZFNVELZPXHN-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1F ZINC001126047851 1372919415 /nfs/dbraw/zinc/91/94/15/1372919415.db2.gz RFCAGZFNYYSFDE-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN Cc1cccc(CO[C@@H](C)C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001126357913 1372960057 /nfs/dbraw/zinc/96/00/57/1372960057.db2.gz UKYBQCWBPPQXCK-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1(C)C ZINC001126450144 1372966643 /nfs/dbraw/zinc/96/66/43/1372966643.db2.gz BSQYTSHQHJGSFV-GJZGRUSLSA-N 0 0 334.416 3.487 10 5 EGBERN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001126679868 1372997686 /nfs/dbraw/zinc/99/76/86/1372997686.db2.gz KWVBSEJBMGFJQM-ZDUSSCGKSA-N 0 0 343.383 3.010 10 5 EGBERN COCCOc1ccccc1COC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001126786471 1373024021 /nfs/dbraw/zinc/02/40/21/1373024021.db2.gz JDAQPHQVJAEQJR-UHFFFAOYSA-N 0 0 349.314 3.116 10 5 EGBERN Cc1ncccc1/C=C\C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001126842706 1373040381 /nfs/dbraw/zinc/04/03/81/1373040381.db2.gz KQYUGITWTYYQKV-WDZFZDKYSA-N 0 0 325.368 3.363 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)c1noc(C)n1 ZINC001126888552 1373047666 /nfs/dbraw/zinc/04/76/66/1373047666.db2.gz HVBWWKLGXKWSNP-LBPRGKRZSA-N 0 0 332.360 3.093 10 5 EGBERN CCC1(CC)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001127451582 1373128627 /nfs/dbraw/zinc/12/86/27/1373128627.db2.gz BTYWBGPXCFHSKF-HZMVEIRTSA-N 0 0 346.427 3.408 10 5 EGBERN CC[C@H](OC(=O)[C@@H]1Cc2cccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC001127711912 1373165864 /nfs/dbraw/zinc/16/58/64/1373165864.db2.gz VLLLGXLIUAWUJL-PBHICJAKSA-N 0 0 326.352 3.399 10 5 EGBERN CC[C@@H](C)N(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H](C)CC ZINC001127769277 1373177440 /nfs/dbraw/zinc/17/74/40/1373177440.db2.gz YAOWWBILPXOKLA-CHWSQXEVSA-N 0 0 345.403 3.215 10 5 EGBERN CC[C@@H](OC(=O)c1cnc2c(cnn2C)c1)c1cccc([N+](=O)[O-])c1 ZINC001127828440 1373188016 /nfs/dbraw/zinc/18/80/16/1373188016.db2.gz PDDXXNAFVQTMNP-OAHLLOKOSA-N 0 0 340.339 3.185 10 5 EGBERN Cc1cc(NC(=O)[C@@]23C[C@@H]2CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967694 1373205075 /nfs/dbraw/zinc/20/50/75/1373205075.db2.gz OUPHWMZTMGTJAQ-SGTLLEGYSA-N 0 0 325.368 3.392 10 5 EGBERN Cc1cnc(COC(=O)c2ccc3ccn(C)c3c2)c(C)c1[N+](=O)[O-] ZINC001128080426 1373215842 /nfs/dbraw/zinc/21/58/42/1373215842.db2.gz WGMDCVKMFXDOFJ-UHFFFAOYSA-N 0 0 339.351 3.455 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2cccnc2n1 ZINC001128407231 1373263417 /nfs/dbraw/zinc/26/34/17/1373263417.db2.gz DXVMBVZODSXEJR-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN CC(=O)NCc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC001128847182 1373315856 /nfs/dbraw/zinc/31/58/56/1373315856.db2.gz LBQPSENBAGQSTB-UHFFFAOYSA-N 0 0 347.758 3.137 10 5 EGBERN CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC001216625686 1373323888 /nfs/dbraw/zinc/32/38/88/1373323888.db2.gz YBMWNPARDUTQTE-NSHDSACASA-N 0 0 342.355 3.384 10 5 EGBERN O=C(NCC1CCCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001128945090 1373326413 /nfs/dbraw/zinc/32/64/13/1373326413.db2.gz XUSUFSVAVFKRMB-UHFFFAOYSA-N 0 0 334.372 3.066 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OC ZINC001129069546 1373342238 /nfs/dbraw/zinc/34/22/38/1373342238.db2.gz VMHAJERKDBQUBV-RNCFNFMXSA-N 0 0 348.321 3.405 10 5 EGBERN CC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)sc1C ZINC001129103148 1373346041 /nfs/dbraw/zinc/34/60/41/1373346041.db2.gz UAIXVPVMTYDUFP-UHFFFAOYSA-N 0 0 333.369 3.431 10 5 EGBERN COc1nccc2c(NC(=O)c3csc([N+](=O)[O-])c3)cccc12 ZINC001129545451 1373396261 /nfs/dbraw/zinc/39/62/61/1373396261.db2.gz RURMPEJSSPZPIV-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN CC1(C)CCC[C@@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001129633916 1373405300 /nfs/dbraw/zinc/40/53/00/1373405300.db2.gz OHOZMALPUSTDQG-CYBMUJFWSA-N 0 0 344.371 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)n1 ZINC001129821769 1373426396 /nfs/dbraw/zinc/42/63/96/1373426396.db2.gz PVRAJBSYFHHQOR-UHFFFAOYSA-N 0 0 339.351 3.460 10 5 EGBERN O=C(N[C@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001129857739 1373429843 /nfs/dbraw/zinc/42/98/43/1373429843.db2.gz CWWHQLWHJUCOMZ-INIZCTEOSA-N 0 0 349.346 3.144 10 5 EGBERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001130226367 1373476464 /nfs/dbraw/zinc/47/64/64/1373476464.db2.gz PTJDATWYHKHLMO-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc2ccccc2nn1 ZINC001130382575 1373511568 /nfs/dbraw/zinc/51/15/68/1373511568.db2.gz VCMOFSZKYGRRLH-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)COC2 ZINC001130759061 1373588639 /nfs/dbraw/zinc/58/86/39/1373588639.db2.gz ZGMMQSIVZFCWSL-UHFFFAOYSA-N 0 0 335.319 3.426 10 5 EGBERN CCc1nc(C)c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])o1 ZINC001130959669 1373616580 /nfs/dbraw/zinc/61/65/80/1373616580.db2.gz JNGYREIDOBGRNH-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN CCOc1cc(NC(=O)c2nncc3ccccc32)ccc1[N+](=O)[O-] ZINC001131000648 1373622667 /nfs/dbraw/zinc/62/26/67/1373622667.db2.gz YQUIOBKLSXXCMQ-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN C[C@@H]1[C@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001131051198 1373633136 /nfs/dbraw/zinc/63/31/36/1373633136.db2.gz CVRTZKBIPLPJDP-JQAFLVLXSA-N 0 0 342.307 3.458 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1coc(C(F)F)c1 ZINC001131051932 1373633439 /nfs/dbraw/zinc/63/34/39/1373633439.db2.gz QXANDSISTMSOAX-UHFFFAOYSA-N 0 0 328.183 3.253 10 5 EGBERN COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1C ZINC001131205843 1373661663 /nfs/dbraw/zinc/66/16/63/1373661663.db2.gz YZFCDGXDEPUBIS-UHFFFAOYSA-N 0 0 347.346 3.369 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)n1 ZINC001131274682 1373673598 /nfs/dbraw/zinc/67/35/98/1373673598.db2.gz CHDJYGLHDSSSTF-LBPRGKRZSA-N 0 0 341.367 3.114 10 5 EGBERN CC(C)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001131281182 1373674449 /nfs/dbraw/zinc/67/44/49/1373674449.db2.gz VAPWZPBCLIRRIF-INIZCTEOSA-N 0 0 327.384 3.495 10 5 EGBERN O=C(CN1CCc2ccccc21)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131459384 1373702814 /nfs/dbraw/zinc/70/28/14/1373702814.db2.gz IUULMMLKODUYAN-UHFFFAOYSA-N 0 0 348.362 3.144 10 5 EGBERN Cc1ccc(C(=O)NCc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001131484223 1373708088 /nfs/dbraw/zinc/70/80/88/1373708088.db2.gz FMHXKPPVBDRAPC-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1ccc(F)c(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001131500888 1373711334 /nfs/dbraw/zinc/71/13/34/1373711334.db2.gz YGRIJFFVGXIHIB-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN Cc1cc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)on1 ZINC001131733073 1373777449 /nfs/dbraw/zinc/77/74/49/1373777449.db2.gz ULBCDWLRNNHHBQ-NSHDSACASA-N 0 0 330.218 3.352 10 5 EGBERN CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC001224863685 1375080921 /nfs/dbraw/zinc/08/09/21/1375080921.db2.gz OWFGSKUMPNKHKN-OAHLLOKOSA-N 0 0 335.404 3.371 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc(F)c(F)c(F)c1F ZINC001132499944 1375427530 /nfs/dbraw/zinc/42/75/30/1375427530.db2.gz LRCDECDPYBHXSB-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN COCc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1OC ZINC001132616955 1375486675 /nfs/dbraw/zinc/48/66/75/1375486675.db2.gz FNGITZUSHRPRGH-UHFFFAOYSA-N 0 0 348.330 3.070 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001132747355 1375543285 /nfs/dbraw/zinc/54/32/85/1375543285.db2.gz LPKYPIAGEVXQOR-SNVBAGLBSA-N 0 0 333.319 3.270 10 5 EGBERN COC(=O)c1c(C)sc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001132914779 1375641568 /nfs/dbraw/zinc/64/15/68/1375641568.db2.gz SRCDJTXJTPCRRE-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN Nc1c(C(=O)Nc2nocc2C2CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001133284248 1375897336 /nfs/dbraw/zinc/89/73/36/1375897336.db2.gz IXDYNLYTWXULDN-UHFFFAOYSA-N 0 0 338.323 3.448 10 5 EGBERN Cc1ncoc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC001133827708 1376220636 /nfs/dbraw/zinc/22/06/36/1376220636.db2.gz KZNDZHMBFJVGKZ-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN C[C@@H](CNC(=O)c1nccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001134273705 1376450098 /nfs/dbraw/zinc/45/00/98/1376450098.db2.gz BZGOQJCMPOBISR-LBPRGKRZSA-N 0 0 336.351 3.072 10 5 EGBERN CC1(C)CCCC[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134358089 1376492869 /nfs/dbraw/zinc/49/28/69/1376492869.db2.gz MIYVDCBEZRIWCS-NSHDSACASA-N 0 0 333.388 3.239 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2CCOC23CCCCC3)cc1[N+](=O)[O-] ZINC001134716838 1376676812 /nfs/dbraw/zinc/67/68/12/1376676812.db2.gz RTIIZYNRADHUAH-MRXNPFEDSA-N 0 0 347.415 3.248 10 5 EGBERN CC[C@H]1CCCc2sc(NC(=O)CCn3cc([N+](=O)[O-])cn3)nc21 ZINC001134729405 1376682166 /nfs/dbraw/zinc/68/21/66/1376682166.db2.gz YEARXODAVUWGNV-JTQLQIEISA-N 0 0 349.416 3.107 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1(C2CCCCC2)CC1 ZINC001134747250 1376697172 /nfs/dbraw/zinc/69/71/72/1376697172.db2.gz LHFLTGZKFKDLGX-UHFFFAOYSA-N 0 0 342.399 3.174 10 5 EGBERN Cc1cc(C(=O)NCc2cc3ccccc3[nH]c2=O)cc([N+](=O)[O-])c1 ZINC001135099420 1376897133 /nfs/dbraw/zinc/89/71/33/1376897133.db2.gz FOJUOQUWFTYWLT-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1ccnc(-c2noc(COc3cc(C)c([N+](=O)[O-])cc3F)n2)c1 ZINC001189174195 1388473031 /nfs/dbraw/zinc/47/30/31/1388473031.db2.gz QPUDXSHPCLZEIL-UHFFFAOYSA-N 0 0 344.302 3.375 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c2nc[nH]c2ccc1F ZINC001135494725 1377117890 /nfs/dbraw/zinc/11/78/90/1377117890.db2.gz JLSAERKUIPWOHJ-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001135512757 1377123727 /nfs/dbraw/zinc/12/37/27/1377123727.db2.gz LYWJUTIBXWMFBQ-SMDDNHRTSA-N 0 0 328.372 3.293 10 5 EGBERN COC(=O)c1coc(/C=C/C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 ZINC001264250071 1377141863 /nfs/dbraw/zinc/14/18/63/1377141863.db2.gz GODKPSRSASJTSQ-SNAWJCMRSA-N 0 0 345.307 3.210 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001264869935 1377144828 /nfs/dbraw/zinc/14/48/28/1377144828.db2.gz AQWPBVJKWKSMDL-KGLIPLIRSA-N 0 0 336.436 3.068 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1cccc(F)c1 ZINC001135862563 1377238800 /nfs/dbraw/zinc/23/88/00/1377238800.db2.gz RLWBRYQEUSBLRJ-UHFFFAOYSA-N 0 0 344.342 3.056 10 5 EGBERN CN(C)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001136462149 1377395321 /nfs/dbraw/zinc/39/53/21/1377395321.db2.gz YSOSALUWDVSNQA-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001136487973 1377398753 /nfs/dbraw/zinc/39/87/53/1377398753.db2.gz BCZXVKZIOUBXPM-UPJWGTAASA-N 0 0 334.420 3.010 10 5 EGBERN CCOCc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001137016603 1377458749 /nfs/dbraw/zinc/45/87/49/1377458749.db2.gz DNUOOBOKSHVEAK-UHFFFAOYSA-N 0 0 332.331 3.452 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(CC)CC ZINC001137064245 1377471254 /nfs/dbraw/zinc/47/12/54/1377471254.db2.gz YALOMPVRJDRJBR-HOTGVXAUSA-N 0 0 349.431 3.350 10 5 EGBERN CCCOC1(CNC(=O)c2cccc([N+](=O)[O-])c2NC)CCCCC1 ZINC001137195443 1377494672 /nfs/dbraw/zinc/49/46/72/1377494672.db2.gz DXJUXUWWAFFKMP-UHFFFAOYSA-N 0 0 349.431 3.496 10 5 EGBERN CC[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001137550741 1377564946 /nfs/dbraw/zinc/56/49/46/1377564946.db2.gz OWJGILLULRKRLG-OIBJUYFYSA-N 0 0 329.759 3.278 10 5 EGBERN CC[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001137550743 1377565096 /nfs/dbraw/zinc/56/50/96/1377565096.db2.gz OWJGILLULRKRLG-XVKPBYJWSA-N 0 0 329.759 3.278 10 5 EGBERN COc1cc(C(=O)N2CC=C(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001137789953 1377616291 /nfs/dbraw/zinc/61/62/91/1377616291.db2.gz TXKZQMNOZCDZFG-UHFFFAOYSA-N 0 0 342.326 3.282 10 5 EGBERN Cc1cc2n[nH]cc2cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001138212061 1377690335 /nfs/dbraw/zinc/69/03/35/1377690335.db2.gz KTHRNDSENGMAKD-UHFFFAOYSA-N 0 0 328.303 3.100 10 5 EGBERN O=C(NN1CCCc2ccccc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138790643 1377785286 /nfs/dbraw/zinc/78/52/86/1377785286.db2.gz WRRXXGKRTBZECB-IRXDYDNUSA-N 0 0 337.379 3.182 10 5 EGBERN Nc1ncc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001140102257 1378007675 /nfs/dbraw/zinc/00/76/75/1378007675.db2.gz GLARJUZZIMBJJQ-UKRRQHHQSA-N 0 0 340.383 3.028 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC001273265690 1378093853 /nfs/dbraw/zinc/09/38/53/1378093853.db2.gz KEMYXLBJCOVXDF-AWEZNQCLSA-N 0 0 348.786 3.236 10 5 EGBERN O=C(NCCc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1Cl ZINC001141694513 1378362732 /nfs/dbraw/zinc/36/27/32/1378362732.db2.gz SKEWUNYWBXYRCF-UHFFFAOYSA-N 0 0 345.742 3.362 10 5 EGBERN COc1cc(C)cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1O ZINC001141707636 1378364573 /nfs/dbraw/zinc/36/45/73/1378364573.db2.gz DJLOMEZWHSGHFX-UHFFFAOYSA-N 0 0 330.340 3.487 10 5 EGBERN COC(=O)Nc1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001141899437 1378391628 /nfs/dbraw/zinc/39/16/28/1378391628.db2.gz WGPLSGDGLUXTDI-UHFFFAOYSA-N 0 0 347.302 3.093 10 5 EGBERN CCC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC001142033300 1378407078 /nfs/dbraw/zinc/40/70/78/1378407078.db2.gz FHSVSQBAASGFCV-AWEZNQCLSA-N 0 0 342.399 3.479 10 5 EGBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001142870445 1378499250 /nfs/dbraw/zinc/49/92/50/1378499250.db2.gz VXICVLYZJBQUJQ-UHFFFAOYSA-N 0 0 330.315 3.162 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)ccc(F)c1F ZINC001143382691 1378589566 /nfs/dbraw/zinc/58/95/66/1378589566.db2.gz BWFVVOGBFCNFRT-UHFFFAOYSA-N 0 0 346.211 3.220 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCc2cccnc21 ZINC001143620572 1378625831 /nfs/dbraw/zinc/62/58/31/1378625831.db2.gz VCRCOPQTVCDZHB-CYBMUJFWSA-N 0 0 345.786 3.032 10 5 EGBERN C[C@H]1CCCCN1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001144069500 1378678722 /nfs/dbraw/zinc/67/87/22/1378678722.db2.gz AKMNVADRFLKKTP-NSHDSACASA-N 0 0 346.412 3.238 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001144205297 1378699289 /nfs/dbraw/zinc/69/92/89/1378699289.db2.gz OOZHKAZEGRVWKH-HAQNSBGRSA-N 0 0 340.807 3.253 10 5 EGBERN C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)O1 ZINC001327680530 1388577627 /nfs/dbraw/zinc/57/76/27/1388577627.db2.gz XWNZPVCUHOCIEF-MNOVXSKESA-N 0 0 337.401 3.329 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCCCNC(=O)OC(C)(C)C ZINC001327711090 1388588972 /nfs/dbraw/zinc/58/89/72/1388588972.db2.gz MDCOXFZAYGZDQA-UHFFFAOYSA-N 0 0 339.392 3.320 10 5 EGBERN CCCn1ccc2ccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc21 ZINC001147903348 1379099207 /nfs/dbraw/zinc/09/92/07/1379099207.db2.gz TYGRCIFZJDKNBH-UHFFFAOYSA-N 0 0 339.355 3.189 10 5 EGBERN C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001148719297 1379251642 /nfs/dbraw/zinc/25/16/42/1379251642.db2.gz FERGLUJSOYZDOH-MEDUHNTESA-N 0 0 348.786 3.143 10 5 EGBERN CCCCO[C@H]1C[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(C)C ZINC001149201612 1379344917 /nfs/dbraw/zinc/34/49/17/1379344917.db2.gz BYXFNWXDJBYAKK-HOTGVXAUSA-N 0 0 349.431 3.350 10 5 EGBERN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001150944164 1379637110 /nfs/dbraw/zinc/63/71/10/1379637110.db2.gz BDJGYTREKZBNLX-RISCZKNCSA-N 0 0 328.372 3.293 10 5 EGBERN COc1cc(C)cc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001151892172 1379811666 /nfs/dbraw/zinc/81/16/66/1379811666.db2.gz QTSQCTXDSIZMJE-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN CC[C@H](C)Oc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001152417980 1379930221 /nfs/dbraw/zinc/93/02/21/1379930221.db2.gz FGQLHSABGHLYOZ-JTQLQIEISA-N 0 0 330.344 3.002 10 5 EGBERN CCC(O)(CC)C(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001152437136 1379933725 /nfs/dbraw/zinc/93/37/25/1379933725.db2.gz OGKXJBZTIQXMSG-UHFFFAOYSA-N 0 0 333.388 3.136 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1F ZINC001153731036 1380119906 /nfs/dbraw/zinc/11/99/06/1380119906.db2.gz LJJGRXUZDVPSGF-UHFFFAOYSA-N 0 0 332.335 3.261 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001155375732 1380443294 /nfs/dbraw/zinc/44/32/94/1380443294.db2.gz QEJOKBQWXRRQDK-PKZYVASSSA-N 0 0 340.326 3.218 10 5 EGBERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001155528681 1380464694 /nfs/dbraw/zinc/46/46/94/1380464694.db2.gz ACUJNPYYAOEFCG-GVXVVHGQSA-N 0 0 341.367 3.015 10 5 EGBERN Cc1cc(CO)cc(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001155946576 1380507260 /nfs/dbraw/zinc/50/72/60/1380507260.db2.gz BCQFXBLQIPBMTC-UHFFFAOYSA-N 0 0 348.786 3.287 10 5 EGBERN CNc1ccc(C(=O)Nc2cnc3[nH]ccc3c2C)cc1[N+](=O)[O-] ZINC001156543461 1380591550 /nfs/dbraw/zinc/59/15/50/1380591550.db2.gz LJHSPLCEUWYVSM-UHFFFAOYSA-N 0 0 325.328 3.025 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001156729724 1380619365 /nfs/dbraw/zinc/61/93/65/1380619365.db2.gz SWMOHQRTKXXILJ-MRVPVSSYSA-N 0 0 335.747 3.002 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC001157010244 1380751432 /nfs/dbraw/zinc/75/14/32/1380751432.db2.gz ZCGCYMUCPCQEIT-UHFFFAOYSA-N 0 0 327.315 3.058 10 5 EGBERN CC(C)c1nc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC001157123856 1380781312 /nfs/dbraw/zinc/78/13/12/1380781312.db2.gz DOFUDLUTAZICHA-UHFFFAOYSA-N 0 0 330.388 3.035 10 5 EGBERN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(N)c1[N+](=O)[O-] ZINC001158225593 1381166374 /nfs/dbraw/zinc/16/63/74/1381166374.db2.gz WQGCABJLXJBTNK-UHFFFAOYSA-N 0 0 349.774 3.465 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2nsnc21 ZINC001287468475 1381219847 /nfs/dbraw/zinc/21/98/47/1381219847.db2.gz IIUCWQQWTQMVFN-UHFFFAOYSA-N 0 0 328.353 3.171 10 5 EGBERN CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001287675391 1381329399 /nfs/dbraw/zinc/32/93/99/1381329399.db2.gz VTHCTAJVQPPBMJ-DZGCQCFKSA-N 0 0 347.394 3.476 10 5 EGBERN O=C(NCc1ccc2[nH]cnc2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001158846023 1381428452 /nfs/dbraw/zinc/42/84/52/1381428452.db2.gz ZFPDLNBHBKNDEG-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1[N+](=O)[O-] ZINC001287964567 1381451770 /nfs/dbraw/zinc/45/17/70/1381451770.db2.gz KJJHPERWFPVNJS-UHFFFAOYSA-N 0 0 343.339 3.358 10 5 EGBERN Cc1c(CC(=O)N[C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001288198400 1381712811 /nfs/dbraw/zinc/71/28/11/1381712811.db2.gz YSEJJQIUBIYQSI-LBPRGKRZSA-N 0 0 339.351 3.464 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccccc1OCC1CC1 ZINC001288213456 1381729100 /nfs/dbraw/zinc/72/91/00/1381729100.db2.gz VCETZKZWMVOUSS-UHFFFAOYSA-N 0 0 343.339 3.040 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1ccc2ncccc2c1 ZINC001288837202 1381948351 /nfs/dbraw/zinc/94/83/51/1381948351.db2.gz HRYAPPIJZQOFFO-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001288853705 1381950529 /nfs/dbraw/zinc/95/05/29/1381950529.db2.gz OZJXQTZFHGUHLZ-KDOFPFPSSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001289191033 1381979952 /nfs/dbraw/zinc/97/99/52/1381979952.db2.gz CKNDUZXKMYVXHO-UHFFFAOYSA-N 0 0 346.770 3.422 10 5 EGBERN O=C(Cn1ncc2cccnc21)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001289839365 1382012419 /nfs/dbraw/zinc/01/24/19/1382012419.db2.gz GPABMOACWRLZTC-UHFFFAOYSA-N 0 0 347.334 3.131 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1nnc(-c2ccco2)o1 ZINC001160496593 1382123133 /nfs/dbraw/zinc/12/31/33/1382123133.db2.gz UFABNKBDBPIJJE-UHFFFAOYSA-N 0 0 328.284 3.107 10 5 EGBERN Cc1c(CC(=O)Nc2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC001160685400 1382170446 /nfs/dbraw/zinc/17/04/46/1382170446.db2.gz PBYQLQXCSRIMJF-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)Sc2ccccc2)n1 ZINC001294171244 1382424376 /nfs/dbraw/zinc/42/43/76/1382424376.db2.gz ANFKZAOYMBUXPK-LBPRGKRZSA-N 0 0 331.397 3.209 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1F ZINC001294224478 1382429919 /nfs/dbraw/zinc/42/99/19/1382429919.db2.gz XRUHSHLSHOBDEK-UHFFFAOYSA-N 0 0 332.331 3.192 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001294595996 1382475320 /nfs/dbraw/zinc/47/53/20/1382475320.db2.gz YDJYNWVUMBMASF-OAHLLOKOSA-N 0 0 341.415 3.500 10 5 EGBERN O=C(N[C@@H]1COCc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001162229659 1382661762 /nfs/dbraw/zinc/66/17/62/1382661762.db2.gz UGVZQALDGGGJMG-QGZVFWFLSA-N 0 0 337.335 3.077 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)COc2c(C)cccc2C)c1 ZINC001162252402 1382691040 /nfs/dbraw/zinc/69/10/40/1382691040.db2.gz ZMNSMJOGNJECBS-HNNXBMFYSA-N 0 0 330.384 3.372 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC001295704663 1382783495 /nfs/dbraw/zinc/78/34/95/1382783495.db2.gz AZWKPQSCZZLNDH-CQSZACIVSA-N 0 0 342.376 3.374 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001163061920 1382959163 /nfs/dbraw/zinc/95/91/63/1382959163.db2.gz CLAYESYXSCXROG-HNNXBMFYSA-N 0 0 331.376 3.059 10 5 EGBERN Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([N+](=O)[O-])s1 ZINC001163173040 1382983841 /nfs/dbraw/zinc/98/38/41/1382983841.db2.gz KRJCJQFGZQLUQG-UHFFFAOYSA-N 0 0 333.329 3.361 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(Oc2cnc(F)cc2Cl)c2ccccc21 ZINC001163265150 1383008280 /nfs/dbraw/zinc/00/82/80/1383008280.db2.gz DRVOADUXRQKFPL-UHFFFAOYSA-N 0 0 349.705 3.427 10 5 EGBERN Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1CO ZINC001296532867 1383013214 /nfs/dbraw/zinc/01/32/14/1383013214.db2.gz QEEAMYPYJDKMKX-UHFFFAOYSA-N 0 0 332.331 3.404 10 5 EGBERN CC(C)Oc1nc(N[C@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001163353793 1383029504 /nfs/dbraw/zinc/02/95/04/1383029504.db2.gz TVPCJSCHPIURIL-XJKSGUPXSA-N 0 0 339.436 3.478 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](CO)C1CCCCC1 ZINC001163403862 1383044212 /nfs/dbraw/zinc/04/42/12/1383044212.db2.gz OBMKLFVJXVACFZ-CQSZACIVSA-N 0 0 329.400 3.166 10 5 EGBERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1c1ncc([N+](=O)[O-])cc1F ZINC001163572248 1383082183 /nfs/dbraw/zinc/08/21/83/1383082183.db2.gz VRHFZZNHNKTIBT-ZUZCIYMTSA-N 0 0 335.310 3.234 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(Cc3ccco3)C2)cc1C ZINC001163722483 1383114423 /nfs/dbraw/zinc/11/44/23/1383114423.db2.gz ZKFIBLJZAHRFLB-UHFFFAOYSA-N 0 0 344.367 3.352 10 5 EGBERN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001164212646 1383166637 /nfs/dbraw/zinc/16/66/37/1383166637.db2.gz XLARSSQDSIFBBH-GFCCVEGCSA-N 0 0 339.367 3.180 10 5 EGBERN COCCOCCOc1cccc(Nc2sccc2[N+](=O)[O-])c1 ZINC001164265407 1383172722 /nfs/dbraw/zinc/17/27/22/1383172722.db2.gz SXIBHWCFACZROL-UHFFFAOYSA-N 0 0 338.385 3.442 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC001165783924 1383344486 /nfs/dbraw/zinc/34/44/86/1383344486.db2.gz AUXNTAQCMQFEOT-HNNXBMFYSA-N 0 0 332.306 3.389 10 5 EGBERN CC(C)(C(=O)Nc1cc(O)c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001298974543 1383447923 /nfs/dbraw/zinc/44/79/23/1383447923.db2.gz RQUXQTQUGDLFCP-UHFFFAOYSA-N 0 0 336.294 3.495 10 5 EGBERN CC(=O)c1c(C)cc(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC001166762715 1383474029 /nfs/dbraw/zinc/47/40/29/1383474029.db2.gz WIQPSPSCHURAEM-UHFFFAOYSA-N 0 0 342.351 3.092 10 5 EGBERN Cn1c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc2ccccc21 ZINC001299932228 1383635431 /nfs/dbraw/zinc/63/54/31/1383635431.db2.gz QAXMZWHNGGPDOQ-UHFFFAOYSA-N 0 0 345.305 3.295 10 5 EGBERN Cc1n[nH]c(C(=O)NCc2ccc(-c3cccs3)cc2)c1[N+](=O)[O-] ZINC001300466047 1383666979 /nfs/dbraw/zinc/66/69/79/1383666979.db2.gz JHLABFNDAYQKCA-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC001300499312 1383668351 /nfs/dbraw/zinc/66/83/51/1383668351.db2.gz LKJCFPUNICUHLA-QGZVFWFLSA-N 0 0 341.367 3.189 10 5 EGBERN O=C(CN1CCc2cccc(F)c21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167765550 1383736191 /nfs/dbraw/zinc/73/61/91/1383736191.db2.gz FTWNZUQNYZIFNR-UHFFFAOYSA-N 0 0 349.749 3.389 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cccc(C)c32)c1 ZINC001167967662 1383781518 /nfs/dbraw/zinc/78/15/18/1383781518.db2.gz IWXCJNSWSXQZBA-UHFFFAOYSA-N 0 0 326.352 3.253 10 5 EGBERN C[C@H](CNC(=O)c1cc(F)cc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC001304193449 1383838594 /nfs/dbraw/zinc/83/85/94/1383838594.db2.gz SOQGIFZNKIJQBE-SNVBAGLBSA-N 0 0 342.330 3.144 10 5 EGBERN O=C(N[C@H](CO)CC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306858673 1383911215 /nfs/dbraw/zinc/91/12/15/1383911215.db2.gz MIWSJPMBBAEOTL-ZDUSSCGKSA-N 0 0 340.807 3.309 10 5 EGBERN COc1ccsc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001306862317 1383911784 /nfs/dbraw/zinc/91/17/84/1383911784.db2.gz HUOZYKRNKPTVIT-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1ccn2ncc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])c2c1 ZINC001306862235 1383912105 /nfs/dbraw/zinc/91/21/05/1383912105.db2.gz GPMMJLHNASJJHO-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC001306909270 1383918854 /nfs/dbraw/zinc/91/88/54/1383918854.db2.gz UXZMFFUUGILWBG-LLVKDONJSA-N 0 0 343.412 3.322 10 5 EGBERN CC(C)C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001306984859 1383929932 /nfs/dbraw/zinc/92/99/32/1383929932.db2.gz ZSCYKMDNVMVLLB-CYBMUJFWSA-N 0 0 329.400 3.319 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCO[C@@H](c2ccco2)C1 ZINC001306993565 1383930866 /nfs/dbraw/zinc/93/08/66/1383930866.db2.gz PZLMTDMCSTXTQO-MRXNPFEDSA-N 0 0 343.314 3.453 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H]2CCCC[C@@H]12 ZINC001307077764 1383937440 /nfs/dbraw/zinc/93/74/40/1383937440.db2.gz UWKRYJRENOPHLY-UTLUCORTSA-N 0 0 332.326 3.362 10 5 EGBERN COC(=O)c1ccnc(NCCCCCCSC)c1[N+](=O)[O-] ZINC001307092062 1383939077 /nfs/dbraw/zinc/93/90/77/1383939077.db2.gz OWHXAXIPJXKJJM-UHFFFAOYSA-N 0 0 327.406 3.112 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(Cl)cc2F)c1[N+](=O)[O-] ZINC001307103610 1383940694 /nfs/dbraw/zinc/94/06/94/1383940694.db2.gz LUXZCUYZQVNFEO-UHFFFAOYSA-N 0 0 339.710 3.181 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC[C@@H](c2nnc[nH]2)c2ccccc2)c(F)c1 ZINC001307116528 1383942581 /nfs/dbraw/zinc/94/25/81/1383942581.db2.gz LCPUNNWOLCCRJM-GFCCVEGCSA-N 0 0 345.309 3.235 10 5 EGBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001307147585 1383945784 /nfs/dbraw/zinc/94/57/84/1383945784.db2.gz YJPVFKRWEJGJFP-NWDGAFQWSA-N 0 0 326.418 3.235 10 5 EGBERN O=C1O[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001307152265 1383946285 /nfs/dbraw/zinc/94/62/85/1383946285.db2.gz ZRYQRIJNDAJHAN-QMMMGPOBSA-N 0 0 346.170 3.297 10 5 EGBERN CN1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])Cc2ccccc21 ZINC001307187440 1383953192 /nfs/dbraw/zinc/95/31/92/1383953192.db2.gz KJZKNGZQUGWELG-CQSZACIVSA-N 0 0 334.379 3.038 10 5 EGBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001307204146 1383956267 /nfs/dbraw/zinc/95/62/67/1383956267.db2.gz OIJYMUAAROOEDS-XIKOKIGWSA-N 0 0 346.383 3.454 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2c3ccccc3OC[C@H]2F)nc2ccccn21 ZINC001307206501 1383956540 /nfs/dbraw/zinc/95/65/40/1383956540.db2.gz PICIGFGRDZQUPI-BXUZGUMPSA-N 0 0 328.303 3.126 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2c3ccccc3OC[C@@H]2F)nc2ccccn21 ZINC001307206502 1383957160 /nfs/dbraw/zinc/95/71/60/1383957160.db2.gz PICIGFGRDZQUPI-FZMZJTMJSA-N 0 0 328.303 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 ZINC001307224528 1383960644 /nfs/dbraw/zinc/96/06/44/1383960644.db2.gz FQNQKWLJGQRZOA-LSDHHAIUSA-N 0 0 333.388 3.101 10 5 EGBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001307234860 1383962993 /nfs/dbraw/zinc/96/29/93/1383962993.db2.gz QJFNOSCEMVLYGC-GXSJLCMTSA-N 0 0 344.314 3.340 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCCCOC(C)(C)C ZINC001307267041 1383965169 /nfs/dbraw/zinc/96/51/69/1383965169.db2.gz UUFKULYMJFQSJT-UHFFFAOYSA-N 0 0 329.418 3.272 10 5 EGBERN CO[C@@H](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC001307372606 1383978728 /nfs/dbraw/zinc/97/87/28/1383978728.db2.gz VDCCYFLYRZTGOB-INIZCTEOSA-N 0 0 342.330 3.380 10 5 EGBERN CC(=O)c1cc(COc2cccc(C(F)(F)F)c2[N+](=O)[O-])on1 ZINC001307406029 1383983974 /nfs/dbraw/zinc/98/39/74/1383983974.db2.gz XPAKCMNSSDJFDH-UHFFFAOYSA-N 0 0 330.218 3.383 10 5 EGBERN Cc1ccc(CN2Cc3ccccc3NC(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC001307920280 1384056912 /nfs/dbraw/zinc/05/69/12/1384056912.db2.gz KHDNHXIJOWNWKM-CYBMUJFWSA-N 0 0 325.368 3.246 10 5 EGBERN C[C@@H]1N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2C1(C)C ZINC001307928647 1384058432 /nfs/dbraw/zinc/05/84/32/1384058432.db2.gz OIDJVXMYHUKFCD-LBPRGKRZSA-N 0 0 339.395 3.380 10 5 EGBERN O=C(CCN[C@@H](CF)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001308018148 1384075539 /nfs/dbraw/zinc/07/55/39/1384075539.db2.gz ATQCNZAYDDDJLD-INIZCTEOSA-N 0 0 349.337 3.363 10 5 EGBERN C[C@H]1Cc2cccc(F)c2N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001308019434 1384076934 /nfs/dbraw/zinc/07/69/34/1384076934.db2.gz KVEZXZJSPNWNIC-LBPRGKRZSA-N 0 0 343.358 3.371 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(c3ncccn3)CC2)ccc1Cl ZINC001308090222 1384090374 /nfs/dbraw/zinc/09/03/74/1384090374.db2.gz IJGFKPOTJYXKKZ-UHFFFAOYSA-N 0 0 332.791 3.418 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001310097050 1384211330 /nfs/dbraw/zinc/21/13/30/1384211330.db2.gz QCSWJIAQTJBCHA-NVXWUHKLSA-N 0 0 333.388 3.326 10 5 EGBERN CCC1(CC)[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001312347369 1384341579 /nfs/dbraw/zinc/34/15/79/1384341579.db2.gz FDKQEOOZFDRPFI-HOTGVXAUSA-N 0 0 349.431 3.030 10 5 EGBERN CC[C@H](C)CONC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312765532 1384369933 /nfs/dbraw/zinc/36/99/33/1384369933.db2.gz NQHZMFPGXRIONE-ZFWWWQNUSA-N 0 0 335.404 3.462 10 5 EGBERN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170862126 1384400944 /nfs/dbraw/zinc/40/09/44/1384400944.db2.gz QHZZWDVDAHNMBG-HZPDHXFCSA-N 0 0 344.415 3.006 10 5 EGBERN CC(C)=C(C)CC(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001316841981 1384631438 /nfs/dbraw/zinc/63/14/38/1384631438.db2.gz SHDYJBYNOVCQLX-UHFFFAOYSA-N 0 0 339.461 3.341 10 5 EGBERN CC(C)(C(=O)NCc1cc2cnccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC001175161821 1385208703 /nfs/dbraw/zinc/20/87/03/1385208703.db2.gz RXRIDYWUZMWVHJ-UHFFFAOYSA-N 0 0 339.351 3.330 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1C ZINC001176408567 1385578077 /nfs/dbraw/zinc/57/80/77/1385578077.db2.gz VIDCJFULBUAHHY-UHFFFAOYSA-N 0 0 336.735 3.043 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001319070598 1385952695 /nfs/dbraw/zinc/95/26/95/1385952695.db2.gz KWJCGCBABFQYSO-NSHDSACASA-N 0 0 346.314 3.226 10 5 EGBERN CCCCC1(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001177681807 1386021683 /nfs/dbraw/zinc/02/16/83/1386021683.db2.gz WAPHODFVUCGWDT-UHFFFAOYSA-N 0 0 344.415 3.490 10 5 EGBERN CC(C)CNC(=O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001319914676 1386387096 /nfs/dbraw/zinc/38/70/96/1386387096.db2.gz ZJMNZDZVDPNLLF-IBGZPJMESA-N 0 0 341.411 3.046 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001179878866 1386615871 /nfs/dbraw/zinc/61/58/71/1386615871.db2.gz GBCJVMKLPKOYJG-HNNXBMFYSA-N 0 0 340.383 3.093 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3scnc3c2)c(N)c1[N+](=O)[O-] ZINC001179879943 1386616832 /nfs/dbraw/zinc/61/68/32/1386616832.db2.gz WRUZTECKOMUMJM-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN O=C(Cc1ccc(Cl)c(F)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321004298 1386781587 /nfs/dbraw/zinc/78/15/87/1386781587.db2.gz JIYOZKTXPGTFQQ-UHFFFAOYSA-N 0 0 334.734 3.472 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)c1cncc(C)c1Cl ZINC001321133745 1386818634 /nfs/dbraw/zinc/81/86/34/1386818634.db2.gz QDRSXPJGXFXJQI-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN O=C(N[C@H]1CCCC(F)(F)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322700245 1387227149 /nfs/dbraw/zinc/22/71/49/1387227149.db2.gz QEAIICTYLMQGEY-LBPRGKRZSA-N 0 0 325.315 3.198 10 5 EGBERN CCCC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC001336431030 1389097431 /nfs/dbraw/zinc/09/74/31/1389097431.db2.gz CJNJOZCNFPAVER-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001329917770 1389256132 /nfs/dbraw/zinc/25/61/32/1389256132.db2.gz HLOHIBNIWXHSOQ-CYBMUJFWSA-N 0 0 347.415 3.200 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(-c3cccnc3)o2)ccc1OC(F)F ZINC001330035926 1389290503 /nfs/dbraw/zinc/29/05/03/1389290503.db2.gz GMNVBWROVJABNJ-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001330304775 1389383189 /nfs/dbraw/zinc/38/31/89/1389383189.db2.gz LZSOXVPIFXTPEZ-OAHLLOKOSA-N 0 0 342.399 3.080 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330570950 1389458685 /nfs/dbraw/zinc/45/86/85/1389458685.db2.gz IJPITRYBGCWYKI-RDTXWAMCSA-N 0 0 342.395 3.026 10 5 EGBERN O=C1C[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)Oc2ccccc21 ZINC001331908156 1389906301 /nfs/dbraw/zinc/90/63/01/1389906301.db2.gz QSHVJZVDYCQCFA-LLVKDONJSA-N 0 0 339.351 3.009 10 5 EGBERN COc1cc(N(C)C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC001332091400 1389978619 /nfs/dbraw/zinc/97/86/19/1389978619.db2.gz WPTBCRBCJJTDCC-SFHVURJKSA-N 0 0 346.358 3.013 10 5 EGBERN CSc1ccc(C(=O)OCCOC(F)(F)F)cc1[N+](=O)[O-] ZINC001332191204 1390031862 /nfs/dbraw/zinc/03/18/62/1390031862.db2.gz DZUPWGAVKVGCCK-UHFFFAOYSA-N 0 0 325.264 3.010 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnoc1C1CC1 ZINC001339704089 1390113007 /nfs/dbraw/zinc/11/30/07/1390113007.db2.gz UIYYCNOGIPFLPL-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332976099 1390228371 /nfs/dbraw/zinc/22/83/71/1390228371.db2.gz RABXKRBDUKBXFI-OAHLLOKOSA-N 0 0 349.431 3.114 10 5 EGBERN Cn1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nn1 ZINC001333220473 1390268269 /nfs/dbraw/zinc/26/82/69/1390268269.db2.gz ZZXDMDSCZSTWTN-UHFFFAOYSA-N 0 0 333.735 3.249 10 5 EGBERN CC(C)(C)c1cccc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c1 ZINC001333284255 1390276441 /nfs/dbraw/zinc/27/64/41/1390276441.db2.gz SMQBHBYYRAAHNW-UHFFFAOYSA-N 0 0 331.328 3.011 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc2cc[nH]c2c1 ZINC001340963950 1390414643 /nfs/dbraw/zinc/41/46/43/1390414643.db2.gz HDIANZWEMRSXOH-UHFFFAOYSA-N 0 0 332.337 3.152 10 5 EGBERN C[C@@H](Cc1ccco1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001335367882 1390676622 /nfs/dbraw/zinc/67/66/22/1390676622.db2.gz PVPXYGFAPUCSIY-NSHDSACASA-N 0 0 329.312 3.496 10 5 EGBERN CC(C)(CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCCCO1 ZINC001335582959 1390706102 /nfs/dbraw/zinc/70/61/02/1390706102.db2.gz AGNDXPFPEDBYRK-INIZCTEOSA-N 0 0 347.415 3.215 10 5 EGBERN C[C@@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1nccn1C ZINC001345078617 1390835880 /nfs/dbraw/zinc/83/58/80/1390835880.db2.gz JDALYAGCGXSZDA-GFCCVEGCSA-N 0 0 329.356 3.054 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1C=C(c2ccccc2)CCC1 ZINC001345677766 1390875377 /nfs/dbraw/zinc/87/53/77/1390875377.db2.gz YUAHAYFLRJDYMX-INIZCTEOSA-N 0 0 341.367 3.279 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOCC12CCCC2 ZINC001345721026 1390880163 /nfs/dbraw/zinc/88/01/63/1390880163.db2.gz YSCIFIZCGHLHFV-OAHLLOKOSA-N 0 0 333.388 3.374 10 5 EGBERN CO[C@H]1CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939432 1390895405 /nfs/dbraw/zinc/89/54/05/1390895405.db2.gz QIJYKEJXZJGJKH-CVEARBPZSA-N 0 0 329.356 3.389 10 5 EGBERN CO[C@]12CCC[C@@]1(COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC001346060495 1390904354 /nfs/dbraw/zinc/90/43/54/1390904354.db2.gz PPKFDPAHFSQOCI-KKXDTOCCSA-N 0 0 349.383 3.175 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC001346196312 1390914431 /nfs/dbraw/zinc/91/44/31/1390914431.db2.gz CZBZUGGSBFCVGC-CQSZACIVSA-N 0 0 334.397 3.260 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001346834810 1390981233 /nfs/dbraw/zinc/98/12/33/1390981233.db2.gz NLKNLANPSHNJHV-JIMOISOXSA-N 0 0 341.310 3.328 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001347523679 1391087505 /nfs/dbraw/zinc/08/75/05/1391087505.db2.gz ZBTZIHHDZXVZEY-DVVUODLYSA-N 0 0 341.314 3.159 10 5 EGBERN C[C@@H](NC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1[N+](=O)[O-] ZINC001347531523 1391088194 /nfs/dbraw/zinc/08/81/94/1391088194.db2.gz ZQCITDAARRCNSX-FMTVUPSXSA-N 0 0 330.384 3.167 10 5 EGBERN CCCCCc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001347738115 1391117399 /nfs/dbraw/zinc/11/73/99/1391117399.db2.gz KVYKWURSVQULHC-UHFFFAOYSA-N 0 0 330.388 3.471 10 5 EGBERN COc1c(C(=O)OC[C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC001347982340 1391154134 /nfs/dbraw/zinc/15/41/34/1391154134.db2.gz MQEOAFYNZBOIBL-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001348137657 1391177936 /nfs/dbraw/zinc/17/79/36/1391177936.db2.gz FMAVUXHTDPMJNL-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN COC(=O)c1ccc(CN(C)Cc2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC001348179416 1391183445 /nfs/dbraw/zinc/18/34/45/1391183445.db2.gz RZVVUGHYHSBCTM-UHFFFAOYSA-N 0 0 349.774 3.062 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1OCc2ccccc21 ZINC001348654645 1391249091 /nfs/dbraw/zinc/24/90/91/1391249091.db2.gz HZWMKAPACASLMZ-QGZVFWFLSA-N 0 0 344.342 3.054 10 5 EGBERN Cc1cc(C)c(OC(=O)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001348807003 1391270212 /nfs/dbraw/zinc/27/02/12/1391270212.db2.gz JXMBUFBCMAWSQF-CYBMUJFWSA-N 0 0 343.335 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nnc([C@H]3CCCO3)o2)c1 ZINC001348941264 1391286982 /nfs/dbraw/zinc/28/69/82/1391286982.db2.gz GZRDVGQRCRUDAW-CQSZACIVSA-N 0 0 330.344 3.097 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC001348989046 1391293204 /nfs/dbraw/zinc/29/32/04/1391293204.db2.gz KPZPOYIBPHNNOE-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1COC[C@@H]1c1ccccc1 ZINC001349537100 1391338844 /nfs/dbraw/zinc/33/88/44/1391338844.db2.gz UYSFILVBSMZACA-NEPJUHHUSA-N 0 0 348.305 3.242 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001349813830 1391370804 /nfs/dbraw/zinc/37/08/04/1391370804.db2.gz SZDIRVXYBZDISX-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001349860741 1391377106 /nfs/dbraw/zinc/37/71/06/1391377106.db2.gz YEOKFDSNJGWMGM-HNNXBMFYSA-N 0 0 345.355 3.113 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001350083894 1391408737 /nfs/dbraw/zinc/40/87/37/1391408737.db2.gz BPQXRGCNLKFCEX-JTQLQIEISA-N 0 0 339.298 3.072 10 5 EGBERN Cc1ccc(NC(=O)[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001350451879 1391467023 /nfs/dbraw/zinc/46/70/23/1391467023.db2.gz XOJNKIJCXOCKCP-KRWDZBQOSA-N 0 0 328.324 3.072 10 5 EGBERN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001350576540 1391483695 /nfs/dbraw/zinc/48/36/95/1391483695.db2.gz VSEACZBHUUOBOG-UHFFFAOYSA-N 0 0 342.355 3.207 10 5 EGBERN CC(C)(NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC001350584575 1391484585 /nfs/dbraw/zinc/48/45/85/1391484585.db2.gz ADWQPJKVJCXMQI-OAHLLOKOSA-N 0 0 332.400 3.438 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001352034247 1391748581 /nfs/dbraw/zinc/74/85/81/1391748581.db2.gz FABDKXCDEXRCIG-SJORKVTESA-N 0 0 344.342 3.072 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001352370491 1391789524 /nfs/dbraw/zinc/78/95/24/1391789524.db2.gz IQXDDHIZTMIGTL-AWEZNQCLSA-N 0 0 334.278 3.124 10 5 EGBERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001352661785 1391829998 /nfs/dbraw/zinc/82/99/98/1391829998.db2.gz UFHSFNVGKCDBLI-LBPRGKRZSA-N 0 0 336.351 3.355 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1scnc1C(F)F ZINC001353124837 1391938782 /nfs/dbraw/zinc/93/87/82/1391938782.db2.gz ALNCNMBGFGUXIJ-UHFFFAOYSA-N 0 0 327.312 3.261 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)C1(c2ccnc3ccccc32)CC1 ZINC001353681500 1392066614 /nfs/dbraw/zinc/06/66/14/1392066614.db2.gz KQIAAFOVABEGRM-UHFFFAOYSA-N 0 0 347.374 3.491 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccc(C(C)C)cc2)n1 ZINC001354632367 1392157582 /nfs/dbraw/zinc/15/75/82/1392157582.db2.gz GDRUZFWJSBXFIK-UHFFFAOYSA-N 0 0 327.384 3.394 10 5 EGBERN CC(C)Cn1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001354875732 1392174463 /nfs/dbraw/zinc/17/44/63/1392174463.db2.gz MLTPWWNCMYSYCX-UHFFFAOYSA-N 0 0 344.415 3.200 10 5 EGBERN COc1ccc(CNC(=O)c2cscc2Cl)cc1[N+](=O)[O-] ZINC001355044040 1392188730 /nfs/dbraw/zinc/18/87/30/1392188730.db2.gz LFMVVJNNOFRGRF-UHFFFAOYSA-N 0 0 326.761 3.248 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc2cnccc2c1 ZINC001355055030 1392189877 /nfs/dbraw/zinc/18/98/77/1392189877.db2.gz CGNXOMCXJGFKMX-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)cc1[N+](=O)[O-] ZINC001355067587 1392190833 /nfs/dbraw/zinc/19/08/33/1392190833.db2.gz XFUVKNBPVBPKBO-UHFFFAOYSA-N 0 0 332.296 3.404 10 5 EGBERN O=C(N[C@H]1CCCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001687713294 1396469444 /nfs/dbraw/zinc/46/94/44/1396469444.db2.gz AYDKBXBJSKQXPF-HNNXBMFYSA-N 0 0 329.400 3.385 10 5 EGBERN CCSCCCn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001747508984 1439992103 /nfs/dbraw/zinc/99/21/03/1439992103.db2.gz WPZYONPROCCJSB-UHFFFAOYSA-N 0 0 349.460 3.274 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1C[C@H]1C ZINC001751887493 1440125584 /nfs/dbraw/zinc/12/55/84/1440125584.db2.gz JVEWKRVSXSRFHF-DOMZBBRYSA-N 0 0 341.415 3.320 10 5 EGBERN Nc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000371799109 168658717 /nfs/dbraw/zinc/65/87/17/168658717.db2.gz JSWBGRRNUUZDNE-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000181950631 234391639 /nfs/dbraw/zinc/39/16/39/234391639.db2.gz USTBYITUFOVKRF-CABZTGNLSA-N 0 0 344.820 3.024 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184277050 235353782 /nfs/dbraw/zinc/35/37/82/235353782.db2.gz NYYUCEYPIQVYOI-AWEZNQCLSA-N 0 0 348.399 3.097 10 5 EGBERN COc1ccc(C)cc1CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000026611900 202146262 /nfs/dbraw/zinc/14/62/62/202146262.db2.gz BVFARXRZBFVALX-UHFFFAOYSA-N 0 0 340.383 3.351 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000185765722 235745387 /nfs/dbraw/zinc/74/53/87/235745387.db2.gz ZBPWYOSTWSMVMN-GWCFXTLKSA-N 0 0 345.355 3.210 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000193916156 240361959 /nfs/dbraw/zinc/36/19/59/240361959.db2.gz JVMZBICCXIFPDB-NSHDSACASA-N 0 0 336.413 3.146 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000000084869 201432031 /nfs/dbraw/zinc/43/20/31/201432031.db2.gz FACUDZOYEOFZNK-PXAZEXFGSA-N 0 0 328.324 3.086 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000194027728 240409070 /nfs/dbraw/zinc/40/90/70/240409070.db2.gz UYOLRTITXWKJEQ-HNNXBMFYSA-N 0 0 349.368 3.138 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000338637716 241616681 /nfs/dbraw/zinc/61/66/81/241616681.db2.gz WUYIBAXSXZTATK-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN COc1cc([C@@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)ccc1O ZINC000003201792 201559690 /nfs/dbraw/zinc/55/96/90/201559690.db2.gz MUJDJMKWNQMKPR-OAHLLOKOSA-N 0 0 326.352 3.371 10 5 EGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021091100 212206627 /nfs/dbraw/zinc/20/66/27/212206627.db2.gz SRBLDBSCSQAQNL-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092041 212206682 /nfs/dbraw/zinc/20/66/82/212206682.db2.gz PHVYUKHPUCCESS-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(Cl)cc1 ZINC000021090869 212206517 /nfs/dbraw/zinc/20/65/17/212206517.db2.gz CGVFQTFVWOVFMV-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN COC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000065519314 202858336 /nfs/dbraw/zinc/85/83/36/202858336.db2.gz UPCZZEJXMRZFBF-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CC(C)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000069366097 202991410 /nfs/dbraw/zinc/99/14/10/202991410.db2.gz KNNWIXLAZONTNF-CHWSQXEVSA-N 0 0 349.431 3.143 10 5 EGBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)n1cncn1 ZINC000069594382 203025229 /nfs/dbraw/zinc/02/52/29/203025229.db2.gz WNHDKPXVTRLLSU-RKDXNWHRSA-N 0 0 340.181 3.010 10 5 EGBERN Cc1c(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000075128284 203304224 /nfs/dbraw/zinc/30/42/24/203304224.db2.gz DMQPHRCEZRZNCQ-UHFFFAOYSA-N 0 0 332.287 3.407 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000081629694 203487647 /nfs/dbraw/zinc/48/76/47/203487647.db2.gz CFSRFVQIPQRDKA-UHFFFAOYSA-N 0 0 347.396 3.227 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000105858260 204171373 /nfs/dbraw/zinc/17/13/73/204171373.db2.gz JMAYYPIFIHZIJE-CYBMUJFWSA-N 0 0 348.790 3.230 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CCOC1 ZINC000109721312 204289484 /nfs/dbraw/zinc/28/94/84/204289484.db2.gz ZCAIBWIMLGPFAM-AWEZNQCLSA-N 0 0 342.351 3.248 10 5 EGBERN CC(C)(C)SCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000109210874 204278655 /nfs/dbraw/zinc/27/86/55/204278655.db2.gz BGGBQOBZHKJUKY-UHFFFAOYSA-N 0 0 334.401 3.251 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375471029 168804734 /nfs/dbraw/zinc/80/47/34/168804734.db2.gz PIZUSMCBQJCQOJ-KRWDZBQOSA-N 0 0 349.387 3.028 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000132905380 205347091 /nfs/dbraw/zinc/34/70/91/205347091.db2.gz DZKUODSDLLYKBR-KWQFWETISA-N 0 0 340.426 3.268 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000133777167 205377443 /nfs/dbraw/zinc/37/74/43/205377443.db2.gz BFJHNQHCWMQALD-CQSZACIVSA-N 0 0 333.369 3.262 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000342840189 284526510 /nfs/dbraw/zinc/52/65/10/284526510.db2.gz MLKVYUXKKOJQLW-GFCCVEGCSA-N 0 0 341.367 3.036 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000162188324 206389105 /nfs/dbraw/zinc/38/91/05/206389105.db2.gz IZVMOKHVUOFLPG-HNNXBMFYSA-N 0 0 346.408 3.432 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377292254 169007508 /nfs/dbraw/zinc/00/75/08/169007508.db2.gz PZOHIESMCXLADJ-ZDUSSCGKSA-N 0 0 340.383 3.185 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC(c2ccccn2)CC1 ZINC000378262622 169093277 /nfs/dbraw/zinc/09/32/77/169093277.db2.gz XDTGJQQDXFNFEI-UHFFFAOYSA-N 0 0 347.321 3.288 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000408437160 169177737 /nfs/dbraw/zinc/17/77/37/169177737.db2.gz PZMLZGIXKQLWBH-UHFFFAOYSA-N 0 0 344.820 3.264 10 5 EGBERN COc1c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000408322754 169170441 /nfs/dbraw/zinc/17/04/41/169170441.db2.gz VXWAOMVAGDISDH-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN CN(Cc1ccc(Cl)nc1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639460 206593680 /nfs/dbraw/zinc/59/36/80/206593680.db2.gz DRTZQBQDGFPRMS-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN CCN(CC)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000013138715 284833695 /nfs/dbraw/zinc/83/36/95/284833695.db2.gz PABFBAFIRFRWJB-KBPBESRZSA-N 0 0 345.399 3.121 10 5 EGBERN Cc1ccc(C)c(C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C(C)CO2)c1 ZINC000174709168 207048640 /nfs/dbraw/zinc/04/86/40/207048640.db2.gz WWUSKFHRHSICRW-XJKSGUPXSA-N 0 0 344.367 3.407 10 5 EGBERN CCC1(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCC1 ZINC000267647483 251222446 /nfs/dbraw/zinc/22/24/46/251222446.db2.gz AVEIGICQWNPENO-UHFFFAOYSA-N 0 0 344.314 3.267 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](COC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000176403044 207224067 /nfs/dbraw/zinc/22/40/67/207224067.db2.gz CJSUMIDPHIPCKS-CABCVRRESA-N 0 0 347.371 3.326 10 5 EGBERN CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000267904756 251444985 /nfs/dbraw/zinc/44/49/85/251444985.db2.gz ADRBIEZCDHBQHU-UHFFFAOYSA-N 0 0 345.168 3.416 10 5 EGBERN COc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000178031745 207433628 /nfs/dbraw/zinc/43/36/28/207433628.db2.gz SXHMGVORJLXSTO-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3Cl)cc2N1 ZINC000097335866 219013530 /nfs/dbraw/zinc/01/35/30/219013530.db2.gz BGVIOHCKWCQPMN-UHFFFAOYSA-N 0 0 333.731 3.191 10 5 EGBERN COc1cc(NCc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000095412153 258067070 /nfs/dbraw/zinc/06/70/70/258067070.db2.gz DLZCWBZAMMLXLI-QHCPKHFHSA-N 0 0 338.360 3.092 10 5 EGBERN CO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187604157 533462892 /nfs/dbraw/zinc/46/28/92/533462892.db2.gz AZVBAIMEQLLDAM-XJKCOSOUSA-N 0 0 335.404 3.031 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCO[C@@]2(CCCOC2)C1 ZINC000408108768 296498810 /nfs/dbraw/zinc/49/88/10/296498810.db2.gz BKWORTCQKAKNRL-AWEZNQCLSA-N 0 0 347.198 3.287 10 5 EGBERN CO[C@@H](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000347515697 285586225 /nfs/dbraw/zinc/58/62/25/285586225.db2.gz GLWREPNITPCQSY-NSHDSACASA-N 0 0 348.321 3.217 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000026915414 140791096 /nfs/dbraw/zinc/79/10/96/140791096.db2.gz FUJTWOYZNNPAKF-UHFFFAOYSA-N 0 0 326.312 3.122 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1NC(C)=O ZINC000338035642 141077913 /nfs/dbraw/zinc/07/79/13/141077913.db2.gz LRIUYICFPIWDCT-UHFFFAOYSA-N 0 0 343.339 3.123 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC1=CCCC1 ZINC000338149389 141103215 /nfs/dbraw/zinc/10/32/15/141103215.db2.gz WIVDLRIXVDFCNM-UHFFFAOYSA-N 0 0 330.793 3.027 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346250653 141186247 /nfs/dbraw/zinc/18/62/47/141186247.db2.gz YMLTXYRRVHQCLO-LLVKDONJSA-N 0 0 348.790 3.498 10 5 EGBERN Cc1nn(CCC(=O)N(C)Cc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000346633549 141208238 /nfs/dbraw/zinc/20/82/38/141208238.db2.gz FLYCTQCICVQMOR-UHFFFAOYSA-N 0 0 344.415 3.074 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2ccc(F)cc2F)c(F)c1 ZINC000350766294 141265644 /nfs/dbraw/zinc/26/56/44/141265644.db2.gz ALNCRAIFQAOGCQ-UHFFFAOYSA-N 0 0 349.261 3.125 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000356843239 141353458 /nfs/dbraw/zinc/35/34/58/141353458.db2.gz UYQFUXPCIGBVDM-SSDOTTSWSA-N 0 0 337.304 3.146 10 5 EGBERN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366565548 141513752 /nfs/dbraw/zinc/51/37/52/141513752.db2.gz GPAZXVHCGZEFBP-TZMCWYRMSA-N 0 0 329.331 3.195 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccn(Cc3ccccc3)n1)CCN2 ZINC000343150812 142641816 /nfs/dbraw/zinc/64/18/16/142641816.db2.gz AHJBRHPJRHJBJK-UHFFFAOYSA-N 0 0 349.394 3.420 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000171643345 144008796 /nfs/dbraw/zinc/00/87/96/144008796.db2.gz XCKGDLSULUWSLW-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(N[C@@H]1CCCOC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000171693023 144009592 /nfs/dbraw/zinc/00/95/92/144009592.db2.gz MNMKWOJUTTXHLW-OAHLLOKOSA-N 0 0 341.367 3.247 10 5 EGBERN C[C@H](COCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000172971224 144032250 /nfs/dbraw/zinc/03/22/50/144032250.db2.gz RKPCCWLITFSKFA-GFCCVEGCSA-N 0 0 332.331 3.069 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cccn1C ZINC000173550878 144044271 /nfs/dbraw/zinc/04/42/71/144044271.db2.gz BWTZWFNMJJIWNI-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000178672122 144074785 /nfs/dbraw/zinc/07/47/85/144074785.db2.gz MDKNIAIEPWJFES-CQSZACIVSA-N 0 0 345.424 3.308 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(C(F)F)cc1 ZINC000184577169 144095068 /nfs/dbraw/zinc/09/50/68/144095068.db2.gz IMTVHPGSXYGMRB-UHFFFAOYSA-N 0 0 336.294 3.228 10 5 EGBERN CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000351499788 144270173 /nfs/dbraw/zinc/27/01/73/144270173.db2.gz CNSKZWBQQSAINR-BBRMVZONSA-N 0 0 346.774 3.027 10 5 EGBERN Cc1cn2nc(Oc3ccc([N+](=O)[O-])c4ncccc34)sc2n1 ZINC000351543339 144276948 /nfs/dbraw/zinc/27/69/48/144276948.db2.gz JLSCFWMLJNTHCX-UHFFFAOYSA-N 0 0 327.325 3.348 10 5 EGBERN COc1cc(CSc2nncn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000351844657 144315334 /nfs/dbraw/zinc/31/53/34/144315334.db2.gz JVXUDUBJTBLULE-UHFFFAOYSA-N 0 0 342.380 3.476 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cccc2c1CC(=O)CC2 ZINC000361718495 144354396 /nfs/dbraw/zinc/35/43/96/144354396.db2.gz WQHJLQFZLOGSQV-UHFFFAOYSA-N 0 0 328.299 3.044 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000363795827 144368035 /nfs/dbraw/zinc/36/80/35/144368035.db2.gz PGUQWHCWXOSVDW-GFCCVEGCSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000363837110 144370306 /nfs/dbraw/zinc/37/03/06/144370306.db2.gz VJKKKUDGTDYRKG-INIZCTEOSA-N 0 0 336.363 3.155 10 5 EGBERN CC[C@@H](NC(=O)N1CCCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000370128130 144476607 /nfs/dbraw/zinc/47/66/07/144476607.db2.gz DMHUFSZJIZUDLO-OAHLLOKOSA-N 0 0 335.404 3.256 10 5 EGBERN COc1cc(N2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])cc1F ZINC000268223285 286229948 /nfs/dbraw/zinc/22/99/48/286229948.db2.gz RRWAGMKAIRIEOW-OAHLLOKOSA-N 0 0 338.360 3.382 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H]1c1ccccc1 ZINC000341480988 155315585 /nfs/dbraw/zinc/31/55/85/155315585.db2.gz DXIDNNAKAOBYNH-LRDDRELGSA-N 0 0 332.306 3.088 10 5 EGBERN CC[C@H](Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341492250 155322064 /nfs/dbraw/zinc/32/20/64/155322064.db2.gz WRSCEOHIJVGTLE-GFCCVEGCSA-N 0 0 348.790 3.175 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000116354788 152057471 /nfs/dbraw/zinc/05/74/71/152057471.db2.gz DCOBYUIEYPRVHJ-CYBMUJFWSA-N 0 0 336.369 3.022 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000117225659 152091865 /nfs/dbraw/zinc/09/18/65/152091865.db2.gz YVDQLLKKPYVPFR-STQMWFEESA-N 0 0 338.429 3.398 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000117225662 152092644 /nfs/dbraw/zinc/09/26/44/152092644.db2.gz YVDQLLKKPYVPFR-CHWSQXEVSA-N 0 0 338.429 3.398 10 5 EGBERN COc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000117578329 152104337 /nfs/dbraw/zinc/10/43/37/152104337.db2.gz DUHKINQZLLMVHF-LBPRGKRZSA-N 0 0 342.351 3.498 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC=C(c2cccs2)CC1 ZINC000117721667 152113283 /nfs/dbraw/zinc/11/32/83/152113283.db2.gz LLSSOWKMPUDBOG-UHFFFAOYSA-N 0 0 344.392 3.351 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1OC1CCC1 ZINC000118265930 152133659 /nfs/dbraw/zinc/13/36/59/152133659.db2.gz NOSZHSKADBROBK-UHFFFAOYSA-N 0 0 340.379 3.385 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000118363762 152138427 /nfs/dbraw/zinc/13/84/27/152138427.db2.gz QQEXGCQMDKFERS-UHFFFAOYSA-N 0 0 347.758 3.483 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000120360693 152270566 /nfs/dbraw/zinc/27/05/66/152270566.db2.gz ABXHXPOFAOBKLP-BXKDBHETSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1sc(C(=O)N2CCc3c(F)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC000123092801 152440149 /nfs/dbraw/zinc/44/01/49/152440149.db2.gz JKVLGDDCVJIYAB-UHFFFAOYSA-N 0 0 338.335 3.441 10 5 EGBERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000174055568 152836905 /nfs/dbraw/zinc/83/69/05/152836905.db2.gz WHPVSPDRYJQWJE-LSDHHAIUSA-N 0 0 348.790 3.358 10 5 EGBERN CO[C@@H](C)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000188271423 153008565 /nfs/dbraw/zinc/00/85/65/153008565.db2.gz DFPAGVYSKDOHDE-YUMQZZPRSA-N 0 0 335.282 3.159 10 5 EGBERN CCOc1cc(OCC(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000188591237 153023071 /nfs/dbraw/zinc/02/30/71/153023071.db2.gz XUVXRCOQBSAEOJ-UHFFFAOYSA-N 0 0 334.303 3.150 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000189869431 153103690 /nfs/dbraw/zinc/10/36/90/153103690.db2.gz ZLORHEQHIXFLNP-UHFFFAOYSA-N 0 0 342.399 3.461 10 5 EGBERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192765158 153258855 /nfs/dbraw/zinc/25/88/55/153258855.db2.gz UCTQILLRPPLUFN-ZDUSSCGKSA-N 0 0 338.371 3.360 10 5 EGBERN COc1cc(OC)cc([C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000193467585 153293090 /nfs/dbraw/zinc/29/30/90/153293090.db2.gz MHECMNOMZMPYGC-LBPRGKRZSA-N 0 0 343.383 3.188 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000195404136 153404458 /nfs/dbraw/zinc/40/44/58/153404458.db2.gz JFQXODKODFGLIE-UHFFFAOYSA-N 0 0 333.775 3.314 10 5 EGBERN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncccc1C ZINC000341654991 155404775 /nfs/dbraw/zinc/40/47/75/155404775.db2.gz SFHDEOIYKVMNGS-UHFFFAOYSA-N 0 0 338.367 3.375 10 5 EGBERN NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000319244932 154160902 /nfs/dbraw/zinc/16/09/02/154160902.db2.gz NEBDWJKOYLUKKT-UHFFFAOYSA-N 0 0 331.294 3.070 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1(C(F)F)CC1 ZINC000337355432 154303858 /nfs/dbraw/zinc/30/38/58/154303858.db2.gz ANCVBIZQAYTZOE-UHFFFAOYSA-N 0 0 337.229 3.115 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2C(F)F)c2c(c1)COCO2 ZINC000337420286 154345491 /nfs/dbraw/zinc/34/54/91/154345491.db2.gz UGCAAGGKGRYXGG-CYBMUJFWSA-N 0 0 328.315 3.081 10 5 EGBERN CC(C)c1noc(CCCNc2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC000341769734 155467734 /nfs/dbraw/zinc/46/77/34/155467734.db2.gz BBXMLVOJBXRGAW-UHFFFAOYSA-N 0 0 348.388 3.151 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccccc1[N+](=O)[O-] ZINC000341774202 155468903 /nfs/dbraw/zinc/46/89/03/155468903.db2.gz GHHZFTSLNNOTPB-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342951656 155596783 /nfs/dbraw/zinc/59/67/83/155596783.db2.gz VLJSTPMEIAVICM-CAPXZKIUSA-N 0 0 349.431 3.405 10 5 EGBERN CSC1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000345300993 156043488 /nfs/dbraw/zinc/04/34/88/156043488.db2.gz ZACDSLIYLUBSPK-UHFFFAOYSA-N 0 0 346.355 3.212 10 5 EGBERN CC(C)Oc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nc1 ZINC000345522459 156133226 /nfs/dbraw/zinc/13/32/26/156133226.db2.gz FBHRMPLZBGLTMA-UHFFFAOYSA-N 0 0 340.339 3.418 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000346989715 156234106 /nfs/dbraw/zinc/23/41/06/156234106.db2.gz GQJFMFCXTQOAPY-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](COC)Cc1ccccc1 ZINC000349078299 156346300 /nfs/dbraw/zinc/34/63/00/156346300.db2.gz GWYFGHRNBXXVAA-SFHVURJKSA-N 0 0 342.395 3.315 10 5 EGBERN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000349090332 156350875 /nfs/dbraw/zinc/35/08/75/156350875.db2.gz WCYLPGPZPSKEHQ-GFCCVEGCSA-N 0 0 347.802 3.496 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCn3cncc3C2)cc1[N+](=O)[O-] ZINC000368685654 157264908 /nfs/dbraw/zinc/26/49/08/157264908.db2.gz ALAYXTLAAIFTSR-UHFFFAOYSA-N 0 0 343.387 3.137 10 5 EGBERN COc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000368820052 157297599 /nfs/dbraw/zinc/29/75/99/157297599.db2.gz AJTIZKKHOXTIDI-QGZVFWFLSA-N 0 0 348.399 3.025 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000372475682 157340451 /nfs/dbraw/zinc/34/04/51/157340451.db2.gz SAKJQHXYZCQUHN-MRXNPFEDSA-N 0 0 332.400 3.143 10 5 EGBERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000074809562 161695426 /nfs/dbraw/zinc/69/54/26/161695426.db2.gz JMAXATDGFIMSAI-UONOGXRCSA-N 0 0 348.790 3.358 10 5 EGBERN CC(C)COC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000079205930 161793236 /nfs/dbraw/zinc/79/32/36/161793236.db2.gz JHMDSLDHUVQQKE-UHFFFAOYSA-N 0 0 349.431 3.060 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000105984663 162061240 /nfs/dbraw/zinc/06/12/40/162061240.db2.gz YCYOYRQYPGBGLX-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000114435720 162232232 /nfs/dbraw/zinc/23/22/32/162232232.db2.gz IFGPFCCPLHSMGG-GOSISDBHSA-N 0 0 330.384 3.323 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114439896 162232593 /nfs/dbraw/zinc/23/25/93/162232593.db2.gz KIKGMQPYOYKEOK-KRWDZBQOSA-N 0 0 345.355 3.466 10 5 EGBERN COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000337143128 163143591 /nfs/dbraw/zinc/14/35/91/163143591.db2.gz UZRDRTWSHUSZPA-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2cc(F)ccc21 ZINC000338386419 163219267 /nfs/dbraw/zinc/21/92/67/163219267.db2.gz XOBBIZBTKRDSMV-UHFFFAOYSA-N 0 0 325.299 3.418 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2CCOCC2)s1 ZINC000338725713 163332062 /nfs/dbraw/zinc/33/20/62/163332062.db2.gz UNLKEQNQAPQHIL-UHFFFAOYSA-N 0 0 348.428 3.019 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1coc2cc(F)ccc12 ZINC000354784149 166030256 /nfs/dbraw/zinc/03/02/56/166030256.db2.gz DBWKBIDFKDHWEK-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN COC(=O)CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000344017441 164082841 /nfs/dbraw/zinc/08/28/41/164082841.db2.gz UGYPMTFMSDZHSI-UHFFFAOYSA-N 0 0 338.335 3.186 10 5 EGBERN COC(=O)CC1(CC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCCC1 ZINC000344053070 164091611 /nfs/dbraw/zinc/09/16/11/164091611.db2.gz VEUGSROHCWOBHY-UHFFFAOYSA-N 0 0 334.372 3.355 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344088868 164100633 /nfs/dbraw/zinc/10/06/33/164100633.db2.gz GUIJLUWLKAFDIR-UHFFFAOYSA-N 0 0 343.383 3.060 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344266070 164141620 /nfs/dbraw/zinc/14/16/20/164141620.db2.gz YTBXTZMNSFSBGL-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000344286001 164147054 /nfs/dbraw/zinc/14/70/54/164147054.db2.gz MLVITEKMSPVEKB-XHDPSFHLSA-N 0 0 346.412 3.162 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000344607642 164199847 /nfs/dbraw/zinc/19/98/47/164199847.db2.gz RHFSMVAJLAXMBY-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN O=C(NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000345700785 164247216 /nfs/dbraw/zinc/24/72/16/164247216.db2.gz ABWLKWABAVOXAB-UHFFFAOYSA-N 0 0 335.310 3.105 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000345826377 164273407 /nfs/dbraw/zinc/27/34/07/164273407.db2.gz SQDCTELIBFLRCD-ZDUSSCGKSA-N 0 0 330.388 3.021 10 5 EGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345849379 164278937 /nfs/dbraw/zinc/27/89/37/164278937.db2.gz FFHAQNTUSBLKLC-JTQLQIEISA-N 0 0 335.310 3.451 10 5 EGBERN Cc1sccc1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000345919472 164294616 /nfs/dbraw/zinc/29/46/16/164294616.db2.gz UURCXNUOHUHACV-UHFFFAOYSA-N 0 0 327.365 3.116 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)nc21 ZINC000345961887 164304544 /nfs/dbraw/zinc/30/45/44/164304544.db2.gz UMCNWZUJMFOFKJ-UHFFFAOYSA-N 0 0 349.350 3.191 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1 ZINC000347833514 164589190 /nfs/dbraw/zinc/58/91/90/164589190.db2.gz PYRQJNQHVJEYQG-LBPRGKRZSA-N 0 0 327.331 3.014 10 5 EGBERN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348629350 164787217 /nfs/dbraw/zinc/78/72/17/164787217.db2.gz BNLZFEADGCQCEF-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCc1nccn1Cc1ccccc1 ZINC000349841464 164958144 /nfs/dbraw/zinc/95/81/44/164958144.db2.gz WBUXBFNWTBSMTO-UHFFFAOYSA-N 0 0 344.758 3.467 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000352037731 165204433 /nfs/dbraw/zinc/20/44/33/165204433.db2.gz ZEJZOQUKNYXMNQ-MRXNPFEDSA-N 0 0 349.314 3.173 10 5 EGBERN CC(C)(C(=O)Nc1cnc(CC2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000353393342 165753377 /nfs/dbraw/zinc/75/33/77/165753377.db2.gz JMAVBFIIQIVFGE-UHFFFAOYSA-N 0 0 340.383 3.254 10 5 EGBERN C[C@H](C(=O)NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1F ZINC000355718386 166289337 /nfs/dbraw/zinc/28/93/37/166289337.db2.gz FRACBYNISBFAMN-JTQLQIEISA-N 0 0 342.330 3.030 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000355771213 166303420 /nfs/dbraw/zinc/30/34/20/166303420.db2.gz LZRRXFLKDYNQGK-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN CCOc1ccc(-c2nc(Cc3ccncc3)no2)cc1[N+](=O)[O-] ZINC000355798524 166313388 /nfs/dbraw/zinc/31/33/88/166313388.db2.gz AIUCPAHPEZEVGY-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN Cc1ccc2c(n1)OCCN2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000355866142 166332202 /nfs/dbraw/zinc/33/22/02/166332202.db2.gz JPPJLVUONHLWRR-UHFFFAOYSA-N 0 0 341.367 3.001 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)s1 ZINC000355890663 166339117 /nfs/dbraw/zinc/33/91/17/166339117.db2.gz HBDVZOMUJUIIDY-UHFFFAOYSA-N 0 0 331.275 3.251 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2[nH]ccc2s1 ZINC000355922524 166348982 /nfs/dbraw/zinc/34/89/82/166348982.db2.gz IUJFZVCSCZYEID-UHFFFAOYSA-N 0 0 329.381 3.452 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000356109486 166402357 /nfs/dbraw/zinc/40/23/57/166402357.db2.gz KWUQUTZFRBRAKR-JSGCOSHPSA-N 0 0 332.306 3.293 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356754065 166501331 /nfs/dbraw/zinc/50/13/31/166501331.db2.gz ZTQJWLWMZCIBHE-MWLCHTKSSA-N 0 0 345.321 3.330 10 5 EGBERN CC(C)n1ncnc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000357686866 166745527 /nfs/dbraw/zinc/74/55/27/166745527.db2.gz GDBRPZMAWYRISD-UHFFFAOYSA-N 0 0 340.181 3.142 10 5 EGBERN CCNc1ccc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000358446332 166867224 /nfs/dbraw/zinc/86/72/24/166867224.db2.gz IZETWSMHDZVJBC-UHFFFAOYSA-N 0 0 327.340 3.066 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000358709420 166940972 /nfs/dbraw/zinc/94/09/72/166940972.db2.gz ZZSNOPIMAHPLBN-HOTGVXAUSA-N 0 0 326.352 3.023 10 5 EGBERN CC[C@@H]1C[C@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000358905739 167000656 /nfs/dbraw/zinc/00/06/56/167000656.db2.gz NIDYHVUAOJNFDX-XJKCOSOUSA-N 0 0 332.400 3.468 10 5 EGBERN CCCCN(CCOC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358986058 167028422 /nfs/dbraw/zinc/02/84/22/167028422.db2.gz PWACDDKVMDGBLX-UHFFFAOYSA-N 0 0 346.330 3.085 10 5 EGBERN CCCCCOC1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000359487800 167170434 /nfs/dbraw/zinc/17/04/34/167170434.db2.gz XJLUKGJHMUAGNA-UHFFFAOYSA-N 0 0 331.372 3.107 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366139982 168087053 /nfs/dbraw/zinc/08/70/53/168087053.db2.gz FOXZQONXJJSKKP-XJKCOSOUSA-N 0 0 325.368 3.397 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@]3(C2)CCCOC3)c1 ZINC000367436665 168224968 /nfs/dbraw/zinc/22/49/68/168224968.db2.gz GYNCLOBFBLZOGR-INIZCTEOSA-N 0 0 342.342 3.199 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000367550460 168240786 /nfs/dbraw/zinc/24/07/86/168240786.db2.gz RRVNYDKUFUYZLM-YJBOKZPZSA-N 0 0 340.379 3.411 10 5 EGBERN CCc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000367566338 168243185 /nfs/dbraw/zinc/24/31/85/168243185.db2.gz UROYEDMAJJYERL-UHFFFAOYSA-N 0 0 337.379 3.482 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 ZINC000367803874 168272527 /nfs/dbraw/zinc/27/25/27/168272527.db2.gz SVUNRQMSIUAUJB-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000368034148 168301317 /nfs/dbraw/zinc/30/13/17/168301317.db2.gz DQOPWRKDEFKBLW-ZDUSSCGKSA-N 0 0 331.397 3.476 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089835465 264714035 /nfs/dbraw/zinc/71/40/35/264714035.db2.gz SEYPOLPOTNYXPN-ZWKOTPCHSA-N 0 0 340.379 3.066 10 5 EGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173214387 264967637 /nfs/dbraw/zinc/96/76/37/264967637.db2.gz URSHHAGJQCXWML-ZJUUUORDSA-N 0 0 332.809 3.057 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000174474477 265051973 /nfs/dbraw/zinc/05/19/73/265051973.db2.gz QKQDGQDPXXGSHS-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CSc1ccc(C(=O)NC[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000174468969 265052169 /nfs/dbraw/zinc/05/21/69/265052169.db2.gz IIHAWEWJUZCPAL-MRXNPFEDSA-N 0 0 340.445 3.234 10 5 EGBERN CC[C@H](Nc1nc(C)nc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000174931132 265080832 /nfs/dbraw/zinc/08/08/32/265080832.db2.gz LYOIOAZZICAQRX-AWEZNQCLSA-N 0 0 326.360 3.143 10 5 EGBERN CC1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000175122508 265095226 /nfs/dbraw/zinc/09/52/26/265095226.db2.gz XDUVMYPMTLXCLB-UHFFFAOYSA-N 0 0 326.780 3.324 10 5 EGBERN CC[C@H](NC(=O)Cc1c(C)noc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000177800618 265278688 /nfs/dbraw/zinc/27/86/88/265278688.db2.gz SUEGYDYPVRCPAT-ZDUSSCGKSA-N 0 0 337.763 3.355 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000177895657 265283769 /nfs/dbraw/zinc/28/37/69/265283769.db2.gz LQKXXGYQPHRAMM-SNVBAGLBSA-N 0 0 335.385 3.249 10 5 EGBERN CC(C)(NC(=O)NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000178428913 265316623 /nfs/dbraw/zinc/31/66/23/265316623.db2.gz UHPWHFVPJNTJTG-UHFFFAOYSA-N 0 0 342.399 3.157 10 5 EGBERN COc1ccc(F)cc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186364736 265528423 /nfs/dbraw/zinc/52/84/23/265528423.db2.gz BBUJRFPRVWJOJW-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000188301757 265667998 /nfs/dbraw/zinc/66/79/98/265667998.db2.gz JWSXSYUXGBFFTN-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN COc1ccc(O)cc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000188784756 265709478 /nfs/dbraw/zinc/70/94/78/265709478.db2.gz IGCOPRFOBQWXCI-UHFFFAOYSA-N 0 0 342.351 3.114 10 5 EGBERN Cc1cc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000190877980 265868349 /nfs/dbraw/zinc/86/83/49/265868349.db2.gz JFTJFPUHIAHVJH-UHFFFAOYSA-N 0 0 329.356 3.281 10 5 EGBERN CCCCOc1ccccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191564464 265914047 /nfs/dbraw/zinc/91/40/47/265914047.db2.gz VVHWOMLFUZTPIS-UHFFFAOYSA-N 0 0 332.360 3.242 10 5 EGBERN COc1cccc(C(=O)N2CCCc3cccc(OC)c32)c1[N+](=O)[O-] ZINC000193985300 266080779 /nfs/dbraw/zinc/08/07/79/266080779.db2.gz LRQXLNCCNSWBRL-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000195524484 266186716 /nfs/dbraw/zinc/18/67/16/266186716.db2.gz ADSWMOOWFPKKEB-UHFFFAOYSA-N 0 0 331.397 3.129 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000269475124 266300687 /nfs/dbraw/zinc/30/06/87/266300687.db2.gz UZBVHPUCTOTLDZ-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000269976727 266394288 /nfs/dbraw/zinc/39/42/88/266394288.db2.gz MXQPEJKLMLFRPN-MRXNPFEDSA-N 0 0 332.425 3.429 10 5 EGBERN C[C@@H](c1ccccc1Cl)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000272400993 266834316 /nfs/dbraw/zinc/83/43/16/266834316.db2.gz FEFCGUSJMRBLBI-JTQLQIEISA-N 0 0 348.790 3.348 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277393574 267779057 /nfs/dbraw/zinc/77/90/57/267779057.db2.gz JIYVRDYCLJSKDM-LLVKDONJSA-N 0 0 346.305 3.165 10 5 EGBERN Cc1nc(F)ccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278431093 268011423 /nfs/dbraw/zinc/01/14/23/268011423.db2.gz JZFJLCAMRYTPET-UHFFFAOYSA-N 0 0 345.374 3.481 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000278555054 268038809 /nfs/dbraw/zinc/03/88/09/268038809.db2.gz HULBNIDSYPYTBK-INIZCTEOSA-N 0 0 330.388 3.442 10 5 EGBERN Cc1ccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C)cc1 ZINC000006836358 274747296 /nfs/dbraw/zinc/74/72/96/274747296.db2.gz BIRMWEQTPRSHNT-CYBMUJFWSA-N 0 0 339.351 3.261 10 5 EGBERN O=C(c1cc(-n2cccc2)ccn1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000342761672 275010877 /nfs/dbraw/zinc/01/08/77/275010877.db2.gz SQRFGYICDXGZRL-UHFFFAOYSA-N 0 0 348.362 3.374 10 5 EGBERN O=[N+]([O-])c1c(N2CCn3c(cc4ccccc43)C2)nc2sccn21 ZINC000360237779 275032570 /nfs/dbraw/zinc/03/25/70/275032570.db2.gz JWKCNXZRNYOZBB-UHFFFAOYSA-N 0 0 339.380 3.279 10 5 EGBERN O=c1c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])sn1-c1cccc(F)c1 ZINC000004689446 275043089 /nfs/dbraw/zinc/04/30/89/275043089.db2.gz ZLNBHGSMIHAJQL-UHFFFAOYSA-N 0 0 335.272 3.008 10 5 EGBERN O=C(NCCc1ccsc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000043771298 275129980 /nfs/dbraw/zinc/12/99/80/275129980.db2.gz WROJSVBDWVMGPY-UHFFFAOYSA-N 0 0 345.424 3.229 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000047609743 275142624 /nfs/dbraw/zinc/14/26/24/275142624.db2.gz DMCVDGCDMCGSSL-AWEZNQCLSA-N 0 0 342.351 3.004 10 5 EGBERN CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCCCO1 ZINC000106866962 275170306 /nfs/dbraw/zinc/17/03/06/275170306.db2.gz JPSZUOHXTIZSGG-INIZCTEOSA-N 0 0 349.431 3.123 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000110567546 275181224 /nfs/dbraw/zinc/18/12/24/275181224.db2.gz SYZDAIKJYDZWAP-DIFFPNOSSA-N 0 0 326.352 3.267 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295841 275189381 /nfs/dbraw/zinc/18/93/81/275189381.db2.gz OFACSVGGXBDIEN-OAHLLOKOSA-N 0 0 330.340 3.391 10 5 EGBERN COc1cccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000172823467 275197596 /nfs/dbraw/zinc/19/75/96/275197596.db2.gz QPAJRJDDJCRXJV-CYBMUJFWSA-N 0 0 344.367 3.109 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976066 275214295 /nfs/dbraw/zinc/21/42/95/275214295.db2.gz GGXWELKZGRPIRR-GXTWGEPZSA-N 0 0 343.383 3.217 10 5 EGBERN O=C(NCC1(CO)CC2(CCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279165544 275309154 /nfs/dbraw/zinc/30/91/54/275309154.db2.gz QTCXDYIWQGBVTB-UHFFFAOYSA-N 0 0 344.367 3.014 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(CO)CC2(CCC2)C1 ZINC000279229302 275314390 /nfs/dbraw/zinc/31/43/90/275314390.db2.gz YSYBXZLTHSIULZ-UHFFFAOYSA-N 0 0 346.427 3.193 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000281911968 275587786 /nfs/dbraw/zinc/58/77/86/275587786.db2.gz PWARTBWFWRTHIG-GHJWDPDVSA-N 0 0 338.379 3.262 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000283048269 275693663 /nfs/dbraw/zinc/69/36/63/275693663.db2.gz HHUYMQGOXLDUMS-ZDUSSCGKSA-N 0 0 343.387 3.144 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000286624955 276024763 /nfs/dbraw/zinc/02/47/63/276024763.db2.gz WDJSNMJNGPUMJY-LLVKDONJSA-N 0 0 331.351 3.044 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000286822901 276047008 /nfs/dbraw/zinc/04/70/08/276047008.db2.gz CJQXWQFUJFSDJO-SECBINFHSA-N 0 0 349.721 3.136 10 5 EGBERN CCC[C@]1(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000287572315 276134807 /nfs/dbraw/zinc/13/48/07/276134807.db2.gz KDSJNSIEYPVROQ-RDJZCZTQSA-N 0 0 335.404 3.304 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000287712825 276150010 /nfs/dbraw/zinc/15/00/10/276150010.db2.gz DYPZWWRVIYJKLQ-PXAZEXFGSA-N 0 0 328.372 3.081 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000288055949 276178854 /nfs/dbraw/zinc/17/88/54/276178854.db2.gz ATVPGLMDFWABRI-LBPRGKRZSA-N 0 0 340.387 3.478 10 5 EGBERN COC1(c2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)CCOCC1 ZINC000289110983 276292298 /nfs/dbraw/zinc/29/22/98/276292298.db2.gz LVKFHBCPPWJQHJ-UHFFFAOYSA-N 0 0 347.371 3.420 10 5 EGBERN Cc1ccccc1[C@@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)C(C)C ZINC000289218870 276306088 /nfs/dbraw/zinc/30/60/88/276306088.db2.gz VIUIMSHFVRISOL-AWEZNQCLSA-N 0 0 341.371 3.475 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289667769 276374881 /nfs/dbraw/zinc/37/48/81/276374881.db2.gz FEVZWROEQLQLHQ-LLVKDONJSA-N 0 0 337.376 3.011 10 5 EGBERN CCOc1cccc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302087091 276381139 /nfs/dbraw/zinc/38/11/39/276381139.db2.gz ABWSZBMQCAXHGE-UHFFFAOYSA-N 0 0 341.411 3.316 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCOC[C@H]1CC(F)F ZINC000289713639 276382220 /nfs/dbraw/zinc/38/22/20/276382220.db2.gz PBFZAZURMQYAFG-MRVPVSSYSA-N 0 0 349.721 3.136 10 5 EGBERN Cc1ncsc1CS(=O)(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290712139 276531927 /nfs/dbraw/zinc/53/19/27/276531927.db2.gz UAOFAASPNFCPQQ-JTQLQIEISA-N 0 0 326.399 3.036 10 5 EGBERN CC[C@H](NC(=O)NC[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291390566 276637411 /nfs/dbraw/zinc/63/74/11/276637411.db2.gz CQOKKJWHWYYXTN-RDJZCZTQSA-N 0 0 335.404 3.160 10 5 EGBERN CCCCN(C)C(=O)CSc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291779175 276690050 /nfs/dbraw/zinc/69/00/50/276690050.db2.gz CJRNBGWWUHZSBE-UHFFFAOYSA-N 0 0 333.413 3.494 10 5 EGBERN COCCCn1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC000291827399 276696740 /nfs/dbraw/zinc/69/67/40/276696740.db2.gz GGIMQQVXIDPRTG-UHFFFAOYSA-N 0 0 327.344 3.120 10 5 EGBERN CNC(=O)C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000361643951 277002528 /nfs/dbraw/zinc/00/25/28/277002528.db2.gz OEDMETPJEBYDQC-HNNXBMFYSA-N 0 0 347.802 3.215 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1OCCc2ccccc21 ZINC000137256155 278038494 /nfs/dbraw/zinc/03/84/94/278038494.db2.gz KXIRTJFZDGAQGW-KZULUSFZSA-N 0 0 338.363 3.186 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348237221 278157304 /nfs/dbraw/zinc/15/73/04/278157304.db2.gz YMRFZKNHEGSDFS-GMTAPVOTSA-N 0 0 345.321 3.195 10 5 EGBERN Cc1cc(NC(=O)C23CCC(CC2)C3)c2cc([N+](=O)[O-])ccc2n1 ZINC000360768013 280293304 /nfs/dbraw/zinc/29/33/04/280293304.db2.gz ZGECYJHOXXCPOE-UHFFFAOYSA-N 0 0 325.368 3.392 10 5 EGBERN Cc1cc(N2CC[C@]3(C2)CCCOC3)c2cccc([N+](=O)[O-])c2n1 ZINC000376488112 280579197 /nfs/dbraw/zinc/57/91/97/280579197.db2.gz NWYAXSRWSIZALU-SFHVURJKSA-N 0 0 327.384 3.458 10 5 EGBERN CC1(C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000189967552 281219388 /nfs/dbraw/zinc/21/93/88/281219388.db2.gz VHUTUMFELMWYNK-UHFFFAOYSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000374778209 293381362 /nfs/dbraw/zinc/38/13/62/293381362.db2.gz IKNCMORFJXULFR-CQSZACIVSA-N 0 0 348.334 3.183 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1 ZINC000408173251 301203691 /nfs/dbraw/zinc/20/36/91/301203691.db2.gz IMNFJFDBVOOJJE-DANNLKNASA-N 0 0 333.432 3.373 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116353842 302043575 /nfs/dbraw/zinc/04/35/75/302043575.db2.gz IUXPVGZMMGFCDT-LBPRGKRZSA-N 0 0 336.369 3.022 10 5 EGBERN CC[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(F)(F)F ZINC000413517848 309035330 /nfs/dbraw/zinc/03/53/30/309035330.db2.gz IBSIKEXMPOIAGT-MRVPVSSYSA-N 0 0 344.293 3.056 10 5 EGBERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000056437953 307343534 /nfs/dbraw/zinc/34/35/34/307343534.db2.gz POCBEZWDONITJH-CYBMUJFWSA-N 0 0 343.383 3.112 10 5 EGBERN CCCn1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074243478 307391837 /nfs/dbraw/zinc/39/18/37/307391837.db2.gz KJGCFTIIDHTECX-UHFFFAOYSA-N 0 0 342.277 3.472 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2=CCCC2)cc1OC ZINC000131349698 307641610 /nfs/dbraw/zinc/64/16/10/307641610.db2.gz AHDGXKTXDOHUIZ-UHFFFAOYSA-N 0 0 334.372 3.232 10 5 EGBERN CCc1nc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000136984530 307714968 /nfs/dbraw/zinc/71/49/68/307714968.db2.gz DFMYYJSTRKKEMC-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN Cc1sc(C(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000159468250 307874317 /nfs/dbraw/zinc/87/43/17/307874317.db2.gz KUOHCDWPDKQTII-UHFFFAOYSA-N 0 0 340.788 3.427 10 5 EGBERN CSc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000171180572 307942803 /nfs/dbraw/zinc/94/28/03/307942803.db2.gz WDQQZGSNQBPLNJ-UHFFFAOYSA-N 0 0 331.397 3.316 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650252 308008543 /nfs/dbraw/zinc/00/85/43/308008543.db2.gz UQFYNGXABRCPOA-QAPCUYQASA-N 0 0 348.349 3.489 10 5 EGBERN O=C(C/C=C\c1ccc(F)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000254985530 308036307 /nfs/dbraw/zinc/03/63/07/308036307.db2.gz VDJQLZPCPLBXFJ-UPHRSURJSA-N 0 0 328.343 3.496 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000292811843 308068333 /nfs/dbraw/zinc/06/83/33/308068333.db2.gz INWIUQYJZOMHOH-PRHODGIISA-N 0 0 347.198 3.399 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292947710 308082913 /nfs/dbraw/zinc/08/29/13/308082913.db2.gz BJLNVNSCDLUIJW-ZYHUDNBSSA-N 0 0 344.314 3.340 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000295253700 308307788 /nfs/dbraw/zinc/30/77/88/308307788.db2.gz KHSXVCDBKFVKPC-NSHDSACASA-N 0 0 326.356 3.062 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000295504159 308333546 /nfs/dbraw/zinc/33/35/46/308333546.db2.gz DVJYRCACQSLETJ-UHFFFAOYSA-N 0 0 342.311 3.336 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000295708218 308352654 /nfs/dbraw/zinc/35/26/54/308352654.db2.gz FYDZKBRSKXGPBR-RNCFNFMXSA-N 0 0 346.305 3.111 10 5 EGBERN Cc1ccc(NC(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000296163993 308399901 /nfs/dbraw/zinc/39/99/01/308399901.db2.gz KRCFCAUDJILALX-UHFFFAOYSA-N 0 0 347.415 3.452 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2ccccc2C1 ZINC000299508890 308677528 /nfs/dbraw/zinc/67/75/28/308677528.db2.gz AYYMKVCKEVAQRQ-KRWDZBQOSA-N 0 0 339.395 3.294 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CCN1c1ccccc1 ZINC000301170270 308690570 /nfs/dbraw/zinc/69/05/70/308690570.db2.gz GGZYWQNFYAETCC-HNNXBMFYSA-N 0 0 331.759 3.466 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2scnc2C)c([N+](=O)[O-])c1 ZINC000301203528 308691719 /nfs/dbraw/zinc/69/17/19/308691719.db2.gz QLJJXGCGLCCABX-GQCTYLIASA-N 0 0 333.369 3.158 10 5 EGBERN O=c1[nH]cnc2cc(NC[C@@H]3C[C@H]3c3ccccc3)c([N+](=O)[O-])cc21 ZINC000301234015 308692919 /nfs/dbraw/zinc/69/29/19/308692919.db2.gz GQNVWYBFVTVZBD-STQMWFEESA-N 0 0 336.351 3.459 10 5 EGBERN Cc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000301260050 308693923 /nfs/dbraw/zinc/69/39/23/308693923.db2.gz FTMUCXPHPRFMAV-UHFFFAOYSA-N 0 0 347.806 3.428 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)CC2)c1 ZINC000301331257 308696795 /nfs/dbraw/zinc/69/67/95/308696795.db2.gz DQGSJUCWOSEVAY-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301377099 308698404 /nfs/dbraw/zinc/69/84/04/308698404.db2.gz RWUAOTQCZYKTKX-UHFFFAOYSA-N 0 0 340.330 3.201 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301727325 308712728 /nfs/dbraw/zinc/71/27/28/308712728.db2.gz AYNKXROIUFUQDB-UHFFFAOYSA-N 0 0 335.747 3.398 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301746163 308713593 /nfs/dbraw/zinc/71/35/93/308713593.db2.gz PGNHBLLKCVNSKR-PIGZYNQJSA-N 0 0 343.339 3.331 10 5 EGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301799484 308715717 /nfs/dbraw/zinc/71/57/17/308715717.db2.gz ZVEGOHBIZFWGRR-AWEZNQCLSA-N 0 0 346.305 3.393 10 5 EGBERN Cc1ccc(N2CCN(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301830306 308717393 /nfs/dbraw/zinc/71/73/93/308717393.db2.gz RTSNZHTXXDYFNP-UHFFFAOYSA-N 0 0 332.791 3.278 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000301857781 308718691 /nfs/dbraw/zinc/71/86/91/308718691.db2.gz RWVAFAWAPYGEEA-UGFHNGPFSA-N 0 0 326.780 3.021 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCSc4c(F)cccc43)nn21 ZINC000301950991 308722913 /nfs/dbraw/zinc/72/29/13/308722913.db2.gz ZTBFXGQACOAWEN-NSHDSACASA-N 0 0 345.359 3.426 10 5 EGBERN COc1cc(Nc2cccc(CCCO)c2)c([N+](=O)[O-])cc1OC ZINC000302058397 308727417 /nfs/dbraw/zinc/72/74/17/308727417.db2.gz RSIKNMWUAWYJMF-UHFFFAOYSA-N 0 0 332.356 3.281 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)c2ncc(C)s2)c1 ZINC000302117562 308729614 /nfs/dbraw/zinc/72/96/14/308729614.db2.gz DKOTVQAPFGWXKQ-SECBINFHSA-N 0 0 335.385 3.362 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000302198575 308733101 /nfs/dbraw/zinc/73/31/01/308733101.db2.gz YHOMAOJDPGIZSW-LBPRGKRZSA-N 0 0 335.360 3.096 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC[C@](C)(O)c2ccccc2)c1 ZINC000302362142 308736338 /nfs/dbraw/zinc/73/63/38/308736338.db2.gz DBLCJKCZKJMRTC-KRWDZBQOSA-N 0 0 334.347 3.452 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302741499 308743944 /nfs/dbraw/zinc/74/39/44/308743944.db2.gz RHXSQAKOCHKTTN-KRWDZBQOSA-N 0 0 343.358 3.255 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000330465480 308795472 /nfs/dbraw/zinc/79/54/72/308795472.db2.gz QBVLMLHUQHYLEP-JTQLQIEISA-N 0 0 325.390 3.132 10 5 EGBERN Cc1ccncc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000359947966 308893825 /nfs/dbraw/zinc/89/38/25/308893825.db2.gz VXAUNVUGLHDOIA-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411187736 308930295 /nfs/dbraw/zinc/93/02/95/308930295.db2.gz LBBXFOYIYMTGGR-KSSFIOAISA-N 0 0 343.358 3.008 10 5 EGBERN COC1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412185927 308973699 /nfs/dbraw/zinc/97/36/99/308973699.db2.gz YNTYGEXUALQZKI-XEXHBRLRSA-N 0 0 332.400 3.020 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000412604409 308993507 /nfs/dbraw/zinc/99/35/07/308993507.db2.gz LFVAFCXDKFZUEP-DGCLKSJQSA-N 0 0 348.790 3.048 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000412951192 309009565 /nfs/dbraw/zinc/00/95/65/309009565.db2.gz OKJGHHLXIXXWEK-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413051848 309013551 /nfs/dbraw/zinc/01/35/51/309013551.db2.gz LLPXFAYPASBTEP-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413110991 309016668 /nfs/dbraw/zinc/01/66/68/309016668.db2.gz SXZCJLXSWOGYRH-MAUKXSAKSA-N 0 0 326.327 3.369 10 5 EGBERN Cc1ccc2[nH+]ccc(N3CCN(c4ncccc4[N+](=O)[O-])CC3)c2c1 ZINC000413327272 309026905 /nfs/dbraw/zinc/02/69/05/309026905.db2.gz HPQPUQYBPLETFR-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000413352700 309028360 /nfs/dbraw/zinc/02/83/60/309028360.db2.gz NRXICIHGWFJXJU-XHSDSOJGSA-N 0 0 337.420 3.141 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413358661 309028525 /nfs/dbraw/zinc/02/85/25/309028525.db2.gz WTPRPQFOGTURRQ-DSPQJCBJSA-N 0 0 335.404 3.159 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413358669 309028603 /nfs/dbraw/zinc/02/86/03/309028603.db2.gz WTPRPQFOGTURRQ-LMWOUKEDSA-N 0 0 335.404 3.159 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCc2ccccc2O1 ZINC000414864007 309106304 /nfs/dbraw/zinc/10/63/04/309106304.db2.gz CJYDJRUTIXHJTF-SGTLLEGYSA-N 0 0 338.363 3.266 10 5 EGBERN Cn1c(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000416040799 309155862 /nfs/dbraw/zinc/15/58/62/309155862.db2.gz CIUJIHKQMZJPFY-ZDUSSCGKSA-N 0 0 349.337 3.059 10 5 EGBERN Cc1cc(S(=O)(=O)N(CC2CC2)CC2CC2)c(C)cc1[N+](=O)[O-] ZINC000416399145 309170905 /nfs/dbraw/zinc/17/09/05/309170905.db2.gz OCBJWXAKWITOFK-UHFFFAOYSA-N 0 0 338.429 3.022 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416597784 309174530 /nfs/dbraw/zinc/17/45/30/309174530.db2.gz SISBGDUVENIJPJ-LRDDRELGSA-N 0 0 332.381 3.199 10 5 EGBERN CC(C)(C)[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416641648 309175644 /nfs/dbraw/zinc/17/56/44/309175644.db2.gz ZBHFWCRXEMCFPX-LSDHHAIUSA-N 0 0 340.445 3.229 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000421469428 309325844 /nfs/dbraw/zinc/32/58/44/309325844.db2.gz QSPUFBMPLOKCOT-UHFFFAOYSA-N 0 0 345.380 3.439 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000421673764 309334071 /nfs/dbraw/zinc/33/40/71/309334071.db2.gz YMKMOILRSHNLHF-YQQAZPJKSA-N 0 0 334.416 3.237 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425024457 309462580 /nfs/dbraw/zinc/46/25/80/309462580.db2.gz YQKSAXVSFQNYFY-FUHWJXTLSA-N 0 0 328.343 3.281 10 5 EGBERN Cn1cc([C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cn1 ZINC000425232235 309469407 /nfs/dbraw/zinc/46/94/07/309469407.db2.gz FIZRGHGURNYBQG-MRXNPFEDSA-N 0 0 339.399 3.498 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425558598 309486259 /nfs/dbraw/zinc/48/62/59/309486259.db2.gz FLTKOGJIJSVQOG-RYUDHWBXSA-N 0 0 331.347 3.340 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426618466 309510408 /nfs/dbraw/zinc/51/04/08/309510408.db2.gz FJSHCXGCQVQUPQ-RYUDHWBXSA-N 0 0 331.372 3.444 10 5 EGBERN CC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(=O)[O-] ZINC000426640886 309511239 /nfs/dbraw/zinc/51/12/39/309511239.db2.gz VZARFLBLDWLZSF-LBPRGKRZSA-N 0 0 332.356 3.445 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(Cl)c1 ZINC000427688874 309534161 /nfs/dbraw/zinc/53/41/61/309534161.db2.gz FGPRGKMTJXFPSC-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN Cc1noc(C[C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2)n1 ZINC000428674617 309558480 /nfs/dbraw/zinc/55/84/80/309558480.db2.gz JFSMFCNHOFIGJG-AWEZNQCLSA-N 0 0 325.328 3.077 10 5 EGBERN COC1CCC(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431692384 309640280 /nfs/dbraw/zinc/64/02/80/309640280.db2.gz OUJSSMZIEZPOFQ-UHFFFAOYSA-N 0 0 349.431 3.334 10 5 EGBERN CCOC(=O)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000434951128 309722608 /nfs/dbraw/zinc/72/26/08/309722608.db2.gz OUQGGDGMQRZWCU-CYBMUJFWSA-N 0 0 349.774 3.402 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000435531947 309734375 /nfs/dbraw/zinc/73/43/75/309734375.db2.gz CPPBQLKZEONEOJ-CQSZACIVSA-N 0 0 330.315 3.160 10 5 EGBERN CC[C@H](NC(=O)NCC1(OC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000455102189 310344727 /nfs/dbraw/zinc/34/47/27/310344727.db2.gz MSMWQJTWWCBMHQ-HNNXBMFYSA-N 0 0 335.404 3.304 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(OCC2CC2)CC1 ZINC000440600948 309852546 /nfs/dbraw/zinc/85/25/46/309852546.db2.gz YQDNHTJTEGTSCA-UHFFFAOYSA-N 0 0 343.383 3.107 10 5 EGBERN CCC1(CC)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000443710986 309907066 /nfs/dbraw/zinc/90/70/66/309907066.db2.gz SNGKLIICKHDYFQ-UHFFFAOYSA-N 0 0 340.383 3.298 10 5 EGBERN CC(C)C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443757745 309907768 /nfs/dbraw/zinc/90/77/68/309907768.db2.gz CNDUAZIUNPZEPP-HNNXBMFYSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC1CCS(=O)(=O)CC1 ZINC000444834217 309931743 /nfs/dbraw/zinc/93/17/43/309931743.db2.gz JYQGYJKYPSBURB-UHFFFAOYSA-N 0 0 346.836 3.183 10 5 EGBERN CC(C)(C)c1noc(CCc2nc(-c3ccc([N+](=O)[O-])s3)no2)n1 ZINC000445468280 309941846 /nfs/dbraw/zinc/94/18/46/309941846.db2.gz DBXKVNQMSDHNKN-UHFFFAOYSA-N 0 0 349.372 3.172 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000447548831 309981854 /nfs/dbraw/zinc/98/18/54/309981854.db2.gz JKXFBLVZOQIFFL-SNVBAGLBSA-N 0 0 326.312 3.069 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CNCc3noc(C4CC4)n3)o2)cc1 ZINC000449301561 310051729 /nfs/dbraw/zinc/05/17/29/310051729.db2.gz SCRZLZHUEZVBFH-UHFFFAOYSA-N 0 0 340.339 3.405 10 5 EGBERN CC[C@@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000450664746 310136076 /nfs/dbraw/zinc/13/60/76/310136076.db2.gz ZPCOWKGKLHZOKD-HUUCEWRRSA-N 0 0 327.384 3.254 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000450673752 310136463 /nfs/dbraw/zinc/13/64/63/310136463.db2.gz AGBPTTCIABJVQU-IACUBPJLSA-N 0 0 325.796 3.163 10 5 EGBERN COc1cc(OC)c(C[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)c(OC)c1 ZINC000450709100 310138623 /nfs/dbraw/zinc/13/86/23/310138623.db2.gz LCXUBMSPHWFHKW-LLVKDONJSA-N 0 0 347.371 3.059 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000450874991 310147201 /nfs/dbraw/zinc/14/72/01/310147201.db2.gz QOTQZFNSXCPFBH-GFCCVEGCSA-N 0 0 331.338 3.224 10 5 EGBERN Cc1cc(N2CCC[C@@]3(CCOC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000450887485 310148076 /nfs/dbraw/zinc/14/80/76/310148076.db2.gz ZCMKOJKNEXEIAX-GOSISDBHSA-N 0 0 327.384 3.458 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451199262 310165440 /nfs/dbraw/zinc/16/54/40/310165440.db2.gz QRCPSWSIRWDXEH-ZDUSSCGKSA-N 0 0 330.384 3.349 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2O1 ZINC000451519383 310182382 /nfs/dbraw/zinc/18/23/82/310182382.db2.gz WBPPQRZYKDQYIV-ZDUSSCGKSA-N 0 0 340.379 3.233 10 5 EGBERN O=C(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCCC1 ZINC000451546319 310184913 /nfs/dbraw/zinc/18/49/13/310184913.db2.gz ISDUHQMHBGIGCZ-INIZCTEOSA-N 0 0 345.443 3.223 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872361 310201473 /nfs/dbraw/zinc/20/14/73/310201473.db2.gz MGONQYKATXLMHH-OLZOCXBDSA-N 0 0 345.365 3.472 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452095821 310211816 /nfs/dbraw/zinc/21/18/16/310211816.db2.gz MAPPYGJPGCVTDT-UHFFFAOYSA-N 0 0 326.418 3.183 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2c(F)cccc21 ZINC000452192539 310217889 /nfs/dbraw/zinc/21/78/89/310217889.db2.gz LUEKIUSNFWVSSS-KRWDZBQOSA-N 0 0 344.342 3.307 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452410164 310226484 /nfs/dbraw/zinc/22/64/84/310226484.db2.gz SCVKINHYKKRPMF-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452475573 310229468 /nfs/dbraw/zinc/22/94/68/310229468.db2.gz KOUZYHUJUJHPSE-CYBMUJFWSA-N 0 0 347.396 3.016 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]1C1CC1 ZINC000452505029 310230566 /nfs/dbraw/zinc/23/05/66/310230566.db2.gz WEWDHHAXOOPNJF-AWEZNQCLSA-N 0 0 329.381 3.343 10 5 EGBERN Cc1ncccc1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000452642063 310235498 /nfs/dbraw/zinc/23/54/98/310235498.db2.gz FRLAHTQBNZRORA-UHFFFAOYSA-N 0 0 340.383 3.175 10 5 EGBERN CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000452777299 310241467 /nfs/dbraw/zinc/24/14/67/310241467.db2.gz QMPLYHYCZYFESB-MRXNPFEDSA-N 0 0 334.397 3.256 10 5 EGBERN CO[C@@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000453230782 310265606 /nfs/dbraw/zinc/26/56/06/310265606.db2.gz DWTRHKGXGVAMOC-CQSZACIVSA-N 0 0 330.344 3.100 10 5 EGBERN C[C@@H]1COCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453232692 310265637 /nfs/dbraw/zinc/26/56/37/310265637.db2.gz HHNUGENUWAXEAM-GHMZBOCLSA-N 0 0 344.371 3.143 10 5 EGBERN COCCC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453231650 310265707 /nfs/dbraw/zinc/26/57/07/310265707.db2.gz GIAVTPZAKDXCER-UHFFFAOYSA-N 0 0 344.371 3.071 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCOC[C@@H]1CC1CCC1 ZINC000454260732 310299948 /nfs/dbraw/zinc/29/99/48/310299948.db2.gz LIOCRUANNXKQOE-ZDUSSCGKSA-N 0 0 337.351 3.157 10 5 EGBERN CCOc1cc(NC(=O)NCC[C@H](C)F)c([N+](=O)[O-])cc1OCC ZINC000454355546 310305050 /nfs/dbraw/zinc/30/50/50/310305050.db2.gz YDTZGPMCNRRESB-JTQLQIEISA-N 0 0 343.355 3.262 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000455142191 310346807 /nfs/dbraw/zinc/34/68/07/310346807.db2.gz OFKHNBFJAJSNRY-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC3(C2)CCOC3)cc1[N+](=O)[O-] ZINC000455411347 310359428 /nfs/dbraw/zinc/35/94/28/310359428.db2.gz JFMSOISCXDOHHU-UHFFFAOYSA-N 0 0 333.388 3.147 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1C[C@@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000455487810 310363347 /nfs/dbraw/zinc/36/33/47/310363347.db2.gz QMNYOJVTBMOTPH-UGFHNGPFSA-N 0 0 343.387 3.248 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)CCO2 ZINC000456158988 310391151 /nfs/dbraw/zinc/39/11/51/310391151.db2.gz NWGHZGVLHWMFMX-UHFFFAOYSA-N 0 0 348.380 3.008 10 5 EGBERN Nc1c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000456551519 310411899 /nfs/dbraw/zinc/41/18/99/310411899.db2.gz DIIBWERHLWCJDD-HNNXBMFYSA-N 0 0 327.340 3.137 10 5 EGBERN COC[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000457072163 310435725 /nfs/dbraw/zinc/43/57/25/310435725.db2.gz ZARPCCGPVQTHIN-AWEZNQCLSA-N 0 0 334.416 3.148 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC(F)(F)C1 ZINC000457174619 310441832 /nfs/dbraw/zinc/44/18/32/310441832.db2.gz CWHMILXBCSLDJH-UHFFFAOYSA-N 0 0 328.315 3.159 10 5 EGBERN CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462600186 310602343 /nfs/dbraw/zinc/60/23/43/310602343.db2.gz CQQOSEDCMITSDH-MNOVXSKESA-N 0 0 332.447 3.246 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000470791978 310727540 /nfs/dbraw/zinc/72/75/40/310727540.db2.gz HDPRRSWNPNLUCW-VIFPVBQESA-N 0 0 342.220 3.267 10 5 EGBERN COc1ccc(CNC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000473427518 310774739 /nfs/dbraw/zinc/77/47/39/310774739.db2.gz KBABBYDMTULSAE-AGIUHOORSA-N 0 0 335.404 3.179 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000473481445 310775599 /nfs/dbraw/zinc/77/55/99/310775599.db2.gz JJSZZNVQEBYCLD-JHJVBQTASA-N 0 0 335.404 3.179 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000473512325 310776066 /nfs/dbraw/zinc/77/60/66/310776066.db2.gz GXUKIWJRLXRTJC-LSDHHAIUSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C(=O)NCCC[C@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000482415901 310931803 /nfs/dbraw/zinc/93/18/03/310931803.db2.gz QITAOKCTJNGRJA-RHSMWYFYSA-N 0 0 348.443 3.320 10 5 EGBERN CC(C)Cn1ccnc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488059652 311049593 /nfs/dbraw/zinc/04/95/93/311049593.db2.gz SZEOVKUYOOEKRG-UHFFFAOYSA-N 0 0 325.372 3.030 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC000488694419 311075327 /nfs/dbraw/zinc/07/53/27/311075327.db2.gz XUUYXWDKBXMOSF-SNVBAGLBSA-N 0 0 333.310 3.153 10 5 EGBERN CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488729305 311077042 /nfs/dbraw/zinc/07/70/42/311077042.db2.gz RKBNDVARFYXFOC-MRXNPFEDSA-N 0 0 345.443 3.385 10 5 EGBERN CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000489930532 311125975 /nfs/dbraw/zinc/12/59/75/311125975.db2.gz XCYYBNZTZGDMKO-LLVKDONJSA-N 0 0 346.387 3.404 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1 ZINC000490869287 311155376 /nfs/dbraw/zinc/15/53/76/311155376.db2.gz DMGNUVQGRTVRME-NSHDSACASA-N 0 0 328.315 3.058 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000500392303 311924986 /nfs/dbraw/zinc/92/49/86/311924986.db2.gz IGYYRIXBZRCYNI-CYBMUJFWSA-N 0 0 335.363 3.382 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](C)C2 ZINC000503680242 311992641 /nfs/dbraw/zinc/99/26/41/311992641.db2.gz MNLOFEPDORLABH-YJYMSZOUSA-N 0 0 340.379 3.332 10 5 EGBERN C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC000506169122 312043798 /nfs/dbraw/zinc/04/37/98/312043798.db2.gz UOJZFZYUKGJAGD-AWEZNQCLSA-N 0 0 346.431 3.005 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)C2)C1 ZINC000508423074 312094231 /nfs/dbraw/zinc/09/42/31/312094231.db2.gz RQWFFFHACUWMFQ-ACJLOTCBSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000510374422 312139344 /nfs/dbraw/zinc/13/93/44/312139344.db2.gz JTOPBWNKTRKRHA-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000515476244 312284737 /nfs/dbraw/zinc/28/47/37/312284737.db2.gz MMCJAUSMWCLVTA-UHFFFAOYSA-N 0 0 327.340 3.258 10 5 EGBERN C[C@@H]1C[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519737354 312474596 /nfs/dbraw/zinc/47/45/96/312474596.db2.gz GNRIJYCNYYHCGR-NEPJUHHUSA-N 0 0 330.388 3.059 10 5 EGBERN CCC(C)(C)N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000530379111 313526242 /nfs/dbraw/zinc/52/62/42/313526242.db2.gz WFJYOQUAIDLGML-UHFFFAOYSA-N 0 0 334.825 3.366 10 5 EGBERN CCC(=O)c1ccc(NCC2(O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000530474904 313542139 /nfs/dbraw/zinc/54/21/39/313542139.db2.gz CDGBCNLLJIDUNU-UHFFFAOYSA-N 0 0 340.379 3.129 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000531225684 313643910 /nfs/dbraw/zinc/64/39/10/313643910.db2.gz KDOOPLNZLOHEGW-SECBINFHSA-N 0 0 334.763 3.146 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000531628191 313692770 /nfs/dbraw/zinc/69/27/70/313692770.db2.gz GMFPDQHJFOORTQ-CYBMUJFWSA-N 0 0 343.383 3.092 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC(F)(F)F)c1 ZINC000531882680 313726365 /nfs/dbraw/zinc/72/63/65/313726365.db2.gz YZPPCWPPQNUSEM-UHFFFAOYSA-N 0 0 341.245 3.165 10 5 EGBERN O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000532138209 313759495 /nfs/dbraw/zinc/75/94/95/313759495.db2.gz DYRQUZMQSSGMBU-UHFFFAOYSA-N 0 0 331.303 3.170 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000532395230 313793331 /nfs/dbraw/zinc/79/33/31/313793331.db2.gz GSBDBOKNRSJWQY-UHFFFAOYSA-N 0 0 331.759 3.448 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(Br)c1 ZINC000532397943 313794325 /nfs/dbraw/zinc/79/43/25/313794325.db2.gz BSRJNAJQZAKUEL-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1cc(C)c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(C)c1 ZINC000535130117 314028138 /nfs/dbraw/zinc/02/81/38/314028138.db2.gz NLBZMDVKDXHGOI-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(C2CCCCC2)n[nH]1 ZINC000535397439 314044420 /nfs/dbraw/zinc/04/44/20/314044420.db2.gz VXMZWSHSNVGEDP-UHFFFAOYSA-N 0 0 328.372 3.296 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ncon2)nc1-c1ccccc1 ZINC000535592365 314055101 /nfs/dbraw/zinc/05/51/01/314055101.db2.gz ABPNZDDVNFHJLY-CQSZACIVSA-N 0 0 337.339 3.381 10 5 EGBERN O=C1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000535720243 314062841 /nfs/dbraw/zinc/06/28/41/314062841.db2.gz IWFBVYJSQIRIQA-KRWDZBQOSA-N 0 0 348.362 3.360 10 5 EGBERN O=C(Nc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000535788034 314074538 /nfs/dbraw/zinc/07/45/38/314074538.db2.gz YPYPFBIWBGWFGM-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc2ccccn21 ZINC000536538642 314121123 /nfs/dbraw/zinc/12/11/23/314121123.db2.gz SLORPEIIOSBKCU-NSHDSACASA-N 0 0 334.339 3.359 10 5 EGBERN CC(=O)c1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC000538542736 314253998 /nfs/dbraw/zinc/25/39/98/314253998.db2.gz NTKHYRWFQXZWKB-UHFFFAOYSA-N 0 0 342.326 3.135 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cnn(Cc3ccccc3)c1)C2 ZINC000538726256 314270136 /nfs/dbraw/zinc/27/01/36/314270136.db2.gz GQRZZDUTEHZAPW-UHFFFAOYSA-N 0 0 348.406 3.398 10 5 EGBERN CCCc1ccc([C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000539023416 314290663 /nfs/dbraw/zinc/29/06/63/314290663.db2.gz CPVKMJSKLKIECR-MRXNPFEDSA-N 0 0 344.415 3.408 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000541937043 314507241 /nfs/dbraw/zinc/50/72/41/314507241.db2.gz FVZZSEDALXKMAO-SGTLLEGYSA-N 0 0 346.383 3.018 10 5 EGBERN COc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1F ZINC000544916157 314724278 /nfs/dbraw/zinc/72/42/78/314724278.db2.gz XWSRDCIRFDPJCQ-UHFFFAOYSA-N 0 0 329.287 3.383 10 5 EGBERN Cc1cccc(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000545904320 314790290 /nfs/dbraw/zinc/79/02/90/314790290.db2.gz QQXHMZQPIGKTJX-UHFFFAOYSA-N 0 0 335.363 3.363 10 5 EGBERN COC(=O)[C@H](c1ccccc1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545931100 314793886 /nfs/dbraw/zinc/79/38/86/314793886.db2.gz PSXNMARFSYHMKL-SFHVURJKSA-N 0 0 340.379 3.176 10 5 EGBERN C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000548749257 315042738 /nfs/dbraw/zinc/04/27/38/315042738.db2.gz LUKKHHGBTRRLEC-OPQQBVKSSA-N 0 0 330.306 3.498 10 5 EGBERN Cc1cccc(N2CCO[C@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000549181226 315080287 /nfs/dbraw/zinc/08/02/87/315080287.db2.gz HJQLAHWJZIZDFC-INIZCTEOSA-N 0 0 328.368 3.187 10 5 EGBERN CCn1c(CCC(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000549357304 315088686 /nfs/dbraw/zinc/08/86/86/315088686.db2.gz AJIIZTFFVKWSEV-UHFFFAOYSA-N 0 0 331.420 3.431 10 5 EGBERN CCc1csc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000550293206 315123947 /nfs/dbraw/zinc/12/39/47/315123947.db2.gz HBCDUSZTRWKSKL-UHFFFAOYSA-N 0 0 332.385 3.204 10 5 EGBERN Cc1ccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000554734437 315346376 /nfs/dbraw/zinc/34/63/76/315346376.db2.gz OSUIGVUYBDFDKT-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN C[C@@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000557534114 315516940 /nfs/dbraw/zinc/51/69/40/315516940.db2.gz HTICZBOTCZALJA-LBPRGKRZSA-N 0 0 338.367 3.271 10 5 EGBERN Cc1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)nn1[C@@H](C)C1CC1 ZINC000561274398 315753610 /nfs/dbraw/zinc/75/36/10/315753610.db2.gz DJLSJQSKZZJRJZ-VIFPVBQESA-N 0 0 344.400 3.241 10 5 EGBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561563081 315770500 /nfs/dbraw/zinc/77/05/00/315770500.db2.gz TWNQZVYYKYRKRI-MNOVXSKESA-N 0 0 346.474 3.492 10 5 EGBERN COCCC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000561985640 315792484 /nfs/dbraw/zinc/79/24/84/315792484.db2.gz HSBSAYBOTPVXGC-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)NC(=O)c2ccccc21 ZINC000562207055 315805013 /nfs/dbraw/zinc/80/50/13/315805013.db2.gz SUTNEYAKFLBFKK-CYBMUJFWSA-N 0 0 325.368 3.042 10 5 EGBERN CC1(C)CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc21 ZINC000562267175 315809863 /nfs/dbraw/zinc/80/98/63/315809863.db2.gz DANHFOIMMXPIGX-UHFFFAOYSA-N 0 0 332.385 3.313 10 5 EGBERN CC[C@]1(C)CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000562272672 315810429 /nfs/dbraw/zinc/81/04/29/315810429.db2.gz WWRCZZWFGJQSHB-GOSISDBHSA-N 0 0 344.415 3.450 10 5 EGBERN COCCc1cccc(OCCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000562498190 315841220 /nfs/dbraw/zinc/84/12/20/315841220.db2.gz ZKTXRGQDHGSSIJ-UHFFFAOYSA-N 0 0 347.367 3.250 10 5 EGBERN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000563538180 316035171 /nfs/dbraw/zinc/03/51/71/316035171.db2.gz ZHEUBWFARMWQJW-UHFFFAOYSA-N 0 0 348.399 3.113 10 5 EGBERN CC(C)CCO[C@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564200605 316122427 /nfs/dbraw/zinc/12/24/27/316122427.db2.gz QEVQBHGLGDICCY-CYBMUJFWSA-N 0 0 347.415 3.186 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccc(N2CCOCC2)c1 ZINC000565226584 316295024 /nfs/dbraw/zinc/29/50/24/316295024.db2.gz OLGXKBKNOIBLKF-UHFFFAOYSA-N 0 0 343.383 3.052 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000568640592 316802453 /nfs/dbraw/zinc/80/24/53/316802453.db2.gz ZHRPZZUQBTXPLG-CABZTGNLSA-N 0 0 328.796 3.084 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC000570109759 317008938 /nfs/dbraw/zinc/00/89/38/317008938.db2.gz WSGBTZALFCOYJD-VXGBXAGGSA-N 0 0 347.444 3.203 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000570595098 317078991 /nfs/dbraw/zinc/07/89/91/317078991.db2.gz ZHEYIBZRMLRZNO-RUGDWHBFSA-N 0 0 346.427 3.240 10 5 EGBERN C[C@H](C(=O)N1CCC[C@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571465592 317202829 /nfs/dbraw/zinc/20/28/29/317202829.db2.gz KAUWDVZOCITUGD-KSSFIOAISA-N 0 0 332.400 3.118 10 5 EGBERN O=c1[nH]cnc2cc(N3CC[C@@H](CC(F)(F)F)C3)c([N+](=O)[O-])cc12 ZINC000572079323 317286977 /nfs/dbraw/zinc/28/69/77/317286977.db2.gz PEELTEWOMFKWKX-QMMMGPOBSA-N 0 0 342.277 3.022 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000572966573 317418451 /nfs/dbraw/zinc/41/84/51/317418451.db2.gz OBPTZAHFLWNYJN-INIZCTEOSA-N 0 0 337.379 3.400 10 5 EGBERN COc1cccc(CNc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000227759283 456118700 /nfs/dbraw/zinc/11/87/00/456118700.db2.gz RAACFUQNLVGUOZ-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](COC)c2ccccc2)cc1[N+](=O)[O-] ZINC000171316916 323229809 /nfs/dbraw/zinc/22/98/09/323229809.db2.gz PLZSKTBABOXAND-HNNXBMFYSA-N 0 0 344.367 3.111 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000176014406 323325504 /nfs/dbraw/zinc/32/55/04/323325504.db2.gz OOFDXNOHPYJRPZ-QGZVFWFLSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1csc(C(F)(F)F)n1 ZINC000188726896 323769879 /nfs/dbraw/zinc/76/98/79/323769879.db2.gz FGEMOAUBVYTUMO-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN O=c1cc(-c2nc(-c3cncs3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000350916122 324139041 /nfs/dbraw/zinc/13/90/41/324139041.db2.gz BTRZIGKMGALIBJ-UHFFFAOYSA-N 0 0 341.308 3.022 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@]3(F)c3ccccc3)n2)n1C ZINC000351208484 324195490 /nfs/dbraw/zinc/19/54/90/324195490.db2.gz CYVTXRHPUPVTSA-MEDUHNTESA-N 0 0 343.318 3.039 10 5 EGBERN C[C@H]1CCn2ncc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)c2C1 ZINC000351329470 324226530 /nfs/dbraw/zinc/22/65/30/324226530.db2.gz MXGCTXAKPAHFBB-NSHDSACASA-N 0 0 339.355 3.014 10 5 EGBERN CC(C)Oc1cc(C(N)=O)ccc1NCc1csc([N+](=O)[O-])c1 ZINC000421195226 324315242 /nfs/dbraw/zinc/31/52/42/324315242.db2.gz MXBCLVBWTTUYNU-UHFFFAOYSA-N 0 0 335.385 3.155 10 5 EGBERN Cc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cn3)CCC2)cc1C ZINC000576809987 324686067 /nfs/dbraw/zinc/68/60/67/324686067.db2.gz SRDGJXDVQYYCKQ-UHFFFAOYSA-N 0 0 339.395 3.458 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000576936255 324710477 /nfs/dbraw/zinc/71/04/77/324710477.db2.gz REUZEFLCPRDLGA-NSHDSACASA-N 0 0 332.326 3.045 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCN(c3cccs3)CC1)CCCC2 ZINC000578066589 324912768 /nfs/dbraw/zinc/91/27/68/324912768.db2.gz ZMKDWOYDLNUSFM-UHFFFAOYSA-N 0 0 344.440 3.257 10 5 EGBERN CC(C)Cn1nccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000579476805 325115939 /nfs/dbraw/zinc/11/59/39/325115939.db2.gz PCIOGVKSSRPJNM-LBPRGKRZSA-N 0 0 328.372 3.039 10 5 EGBERN CCOC(=O)c1ccnc(NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000579737220 325153657 /nfs/dbraw/zinc/15/36/57/325153657.db2.gz HCFYKYWPJPWKGL-ZFWWWQNUSA-N 0 0 341.367 3.382 10 5 EGBERN COc1cccc(N2CC[C@H](Nc3c(OC)cccc3[N+](=O)[O-])C2)c1 ZINC000579972359 325185564 /nfs/dbraw/zinc/18/55/64/325185564.db2.gz VDMKSVMUAPNUGS-ZDUSSCGKSA-N 0 0 343.383 3.303 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCCOCC1CCOCC1)CCCC2 ZINC000580320512 325234323 /nfs/dbraw/zinc/23/43/23/325234323.db2.gz IRAJFRZUINPDSG-UHFFFAOYSA-N 0 0 349.431 3.114 10 5 EGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000580534306 325263920 /nfs/dbraw/zinc/26/39/20/325263920.db2.gz QJPCNNGKOONNIP-MEBBXXQBSA-N 0 0 335.310 3.234 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3c(C)cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000580866393 325302655 /nfs/dbraw/zinc/30/26/55/325302655.db2.gz OXOQHRAEAFDICC-CQSZACIVSA-N 0 0 329.404 3.026 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cn1 ZINC000583062989 325491427 /nfs/dbraw/zinc/49/14/27/325491427.db2.gz JLPQUJZVHAMVLV-FUHWJXTLSA-N 0 0 333.347 3.429 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183086264 455225518 /nfs/dbraw/zinc/22/55/18/455225518.db2.gz XYYGWPPMQOFHBM-CYBMUJFWSA-N 0 0 344.375 3.089 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000594535794 459082917 /nfs/dbraw/zinc/08/29/17/459082917.db2.gz GPNBQKUQCXGQKL-JTQLQIEISA-N 0 0 327.356 3.307 10 5 EGBERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173278907 455258871 /nfs/dbraw/zinc/25/88/71/455258871.db2.gz KQYWALWRLWJEDN-CYBMUJFWSA-N 0 0 329.356 3.322 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccccc2[N+](=O)[O-])O1 ZINC000000084879 452502543 /nfs/dbraw/zinc/50/25/43/452502543.db2.gz FACUDZOYEOFZNK-SJKOYZFVSA-N 0 0 328.324 3.086 10 5 EGBERN COc1cc(OC)cc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)c1 ZINC000000102414 452508598 /nfs/dbraw/zinc/50/85/98/452508598.db2.gz BXZSJLYRQWPWJX-MRXNPFEDSA-N 0 0 334.397 3.396 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(F)(F)F)CCCC2)c1 ZINC000600694212 460570817 /nfs/dbraw/zinc/57/08/17/460570817.db2.gz IIZNAFZJRQVLOG-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006111775 452921773 /nfs/dbraw/zinc/92/17/73/452921773.db2.gz NWYPEBVUMBYDCZ-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007830901 453123654 /nfs/dbraw/zinc/12/36/54/453123654.db2.gz HHRRUNFWDJRRKQ-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN Cc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1[N+](=O)[O-] ZINC000008774644 453233483 /nfs/dbraw/zinc/23/34/83/453233483.db2.gz ULADZUOJOSPUHC-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN Cc1ccc(NC(=O)CSc2nccn2C(C)C)c([N+](=O)[O-])c1 ZINC000009115934 453244599 /nfs/dbraw/zinc/24/45/99/453244599.db2.gz HDAPFJAQJLIMOK-UHFFFAOYSA-N 0 0 334.401 3.411 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010977646 453306617 /nfs/dbraw/zinc/30/66/17/453306617.db2.gz VVFSFZUDLZBTIU-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN CCOc1ccc(C(=O)N2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000600765348 460594530 /nfs/dbraw/zinc/59/45/30/460594530.db2.gz ZWJPSCXATQSADQ-UHFFFAOYSA-N 0 0 346.408 3.370 10 5 EGBERN CNc1ccc(C(=O)N2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000600764656 460594634 /nfs/dbraw/zinc/59/46/34/460594634.db2.gz UBKSBQMRVCLDGK-UHFFFAOYSA-N 0 0 331.397 3.013 10 5 EGBERN Cc1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600772959 460596879 /nfs/dbraw/zinc/59/68/79/460596879.db2.gz LIQOKOCQYRGCFN-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600773065 460597439 /nfs/dbraw/zinc/59/74/39/460597439.db2.gz MYDXBHXVXYAEBC-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1[N+](=O)[O-] ZINC000012867543 453418411 /nfs/dbraw/zinc/41/84/11/453418411.db2.gz CGBRZDKKXKPCPE-UHFFFAOYSA-N 0 0 339.351 3.282 10 5 EGBERN COC(=O)c1ccc(-c2cnn(CCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000600786392 460603040 /nfs/dbraw/zinc/60/30/40/460603040.db2.gz PMRVKRJFCOQTGT-UHFFFAOYSA-N 0 0 343.261 3.197 10 5 EGBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000014575155 453538738 /nfs/dbraw/zinc/53/87/38/453538738.db2.gz UFXKQUDGJBZYNM-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1nn(CC(=O)Nc2cc(C(C)(C)C)ccc2O)c(C)c1[N+](=O)[O-] ZINC000017360852 453635274 /nfs/dbraw/zinc/63/52/74/453635274.db2.gz IDGAWZGAPPARMJ-UHFFFAOYSA-N 0 0 346.387 3.050 10 5 EGBERN Cc1nn(CCCc2nc(-c3cccs3)no2)c(C)c1[N+](=O)[O-] ZINC000019314630 453656653 /nfs/dbraw/zinc/65/66/53/453656653.db2.gz FMPKKODZXFDCRZ-UHFFFAOYSA-N 0 0 333.373 3.152 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cn1 ZINC000181656249 455368478 /nfs/dbraw/zinc/36/84/78/455368478.db2.gz XJSSNTHFFALSKE-UHFFFAOYSA-N 0 0 337.788 3.052 10 5 EGBERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347235 453797686 /nfs/dbraw/zinc/79/76/86/453797686.db2.gz GFAAIXMAZUACQG-LSDHHAIUSA-N 0 0 341.411 3.293 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1[N+](=O)[O-] ZINC000031124400 453839420 /nfs/dbraw/zinc/83/94/20/453839420.db2.gz HYOUXRSTGZCOEU-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000075132492 453865306 /nfs/dbraw/zinc/86/53/06/453865306.db2.gz HBBAURUNAVAFBL-HNNXBMFYSA-N 0 0 328.796 3.165 10 5 EGBERN COc1ccc(Cl)cc1N1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000066812309 453876323 /nfs/dbraw/zinc/87/63/23/453876323.db2.gz IUOXPRDUGOUGHG-GFCCVEGCSA-N 0 0 348.790 3.343 10 5 EGBERN CO[C@]1(C)C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000075294394 453876567 /nfs/dbraw/zinc/87/65/67/453876567.db2.gz OCQOILIATOOQKX-MAUKXSAKSA-N 0 0 345.399 3.352 10 5 EGBERN COC(=O)c1ccc(OCCCC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000054247297 453918771 /nfs/dbraw/zinc/91/87/71/453918771.db2.gz YHHRPLAUSVKHLV-UHFFFAOYSA-N 0 0 343.335 3.423 10 5 EGBERN CN(Cc1ccc(F)cc1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000054359196 453925338 /nfs/dbraw/zinc/92/53/38/453925338.db2.gz RNYQJRZCMSHCNN-UHFFFAOYSA-N 0 0 343.358 3.263 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000067512661 453937133 /nfs/dbraw/zinc/93/71/33/453937133.db2.gz ZTCABXDWRKQURB-JKSUJKDBSA-N 0 0 348.362 3.066 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000067536777 453940451 /nfs/dbraw/zinc/94/04/51/453940451.db2.gz KDRYBGDFXCMPMY-KRWDZBQOSA-N 0 0 325.368 3.472 10 5 EGBERN Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc1[N+](=O)[O-] ZINC000040043117 453946249 /nfs/dbraw/zinc/94/62/49/453946249.db2.gz RRECQZWTOHJDKQ-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000054951286 453954293 /nfs/dbraw/zinc/95/42/93/453954293.db2.gz SRSNVYJLLIFLQC-JTQLQIEISA-N 0 0 329.312 3.206 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067875484 453975515 /nfs/dbraw/zinc/97/55/15/453975515.db2.gz SHYDRNKBWQODGF-JTQLQIEISA-N 0 0 334.401 3.283 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000041866295 453982139 /nfs/dbraw/zinc/98/21/39/453982139.db2.gz LCQIJDAXRHQVBH-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000055466052 453987025 /nfs/dbraw/zinc/98/70/25/453987025.db2.gz PMWXBOJKXMNKLK-HWPZZCPQSA-N 0 0 346.770 3.429 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCCCc1cccc(F)c1 ZINC000068180300 454005816 /nfs/dbraw/zinc/00/58/16/454005816.db2.gz HGITTZVTJOQJIO-UHFFFAOYSA-N 0 0 346.358 3.252 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2cccnc2)cc1[N+](=O)[O-] ZINC000084808154 454011044 /nfs/dbraw/zinc/01/10/44/454011044.db2.gz ROOJMHSRODNWFF-STQMWFEESA-N 0 0 330.340 3.370 10 5 EGBERN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000056048041 454034953 /nfs/dbraw/zinc/03/49/53/454034953.db2.gz QXMGDNZQOMYJQY-GFCCVEGCSA-N 0 0 343.358 3.087 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000085638814 454035538 /nfs/dbraw/zinc/03/55/38/454035538.db2.gz BDIQWJOUONUHMS-HNNXBMFYSA-N 0 0 343.383 3.109 10 5 EGBERN CC(C)(C)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181972778 455407215 /nfs/dbraw/zinc/40/72/15/455407215.db2.gz PZYSBAVZRAYXOW-UHFFFAOYSA-N 0 0 334.372 3.222 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(O)c2)CC1 ZINC000265923344 455407656 /nfs/dbraw/zinc/40/76/56/455407656.db2.gz CSKZHFQRZZDPGT-CQSZACIVSA-N 0 0 327.384 3.184 10 5 EGBERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000068918554 454065456 /nfs/dbraw/zinc/06/54/56/454065456.db2.gz XBBSCENDVBPQOP-UHFFFAOYSA-N 0 0 344.389 3.399 10 5 EGBERN Cc1cc(F)ccc1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000087562416 454087643 /nfs/dbraw/zinc/08/76/43/454087643.db2.gz RWOVUNNLBLAJIG-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000077327044 454092309 /nfs/dbraw/zinc/09/23/09/454092309.db2.gz MJPRWOTWVJGUDK-MFKMUULPSA-N 0 0 331.397 3.024 10 5 EGBERN CC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc21 ZINC000045142228 454141347 /nfs/dbraw/zinc/14/13/47/454141347.db2.gz MNQKTDUTRRBISR-UHFFFAOYSA-N 0 0 345.380 3.126 10 5 EGBERN COc1cccc([C@H](O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000095438778 454212944 /nfs/dbraw/zinc/21/29/44/454212944.db2.gz UDRYUHRHUYOKJZ-GOSISDBHSA-N 0 0 339.351 3.201 10 5 EGBERN CCCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000131090679 454235739 /nfs/dbraw/zinc/23/57/39/454235739.db2.gz OOFOQKCHWKWAKV-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN CSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000078347809 454237405 /nfs/dbraw/zinc/23/74/05/454237405.db2.gz ITXUCFDIESQZJH-UHFFFAOYSA-N 0 0 330.365 3.127 10 5 EGBERN COCCNc1ccccc1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000095966703 454241626 /nfs/dbraw/zinc/24/16/26/454241626.db2.gz TWUODIMELGYIHI-UHFFFAOYSA-N 0 0 343.383 3.468 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC000078420699 454250420 /nfs/dbraw/zinc/25/04/20/454250420.db2.gz CIGCNAZIPOLBAN-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN CC[C@@H](NC(=O)Nc1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000078632451 454290243 /nfs/dbraw/zinc/29/02/43/454290243.db2.gz GZLKPEQVUXPHIR-MRXNPFEDSA-N 0 0 343.387 3.474 10 5 EGBERN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000120360524 454291593 /nfs/dbraw/zinc/29/15/93/454291593.db2.gz ABXHXPOFAOBKLP-JOYOIKCWSA-N 0 0 348.305 3.168 10 5 EGBERN O=[N+]([O-])c1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1 ZINC000090367518 454297773 /nfs/dbraw/zinc/29/77/73/454297773.db2.gz LYRLHBRLOOFCON-UHFFFAOYSA-N 0 0 348.406 3.465 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466858 454308890 /nfs/dbraw/zinc/30/88/90/454308890.db2.gz UDLDODJJJANVOU-KRWDZBQOSA-N 0 0 341.367 3.434 10 5 EGBERN CC[C@H](NC(=O)COc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090466805 454309007 /nfs/dbraw/zinc/30/90/07/454309007.db2.gz QBIOMSHDCMCKHS-HNNXBMFYSA-N 0 0 344.367 3.250 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1OC ZINC000061205856 454333260 /nfs/dbraw/zinc/33/32/60/454333260.db2.gz HOGCJMKSDMFREH-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000078935700 454339832 /nfs/dbraw/zinc/33/98/32/454339832.db2.gz UCQCLLALQANMEO-SJLPKXTDSA-N 0 0 340.379 3.323 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N(CC1CC1)c1cccnc1 ZINC000097141697 454415305 /nfs/dbraw/zinc/41/53/05/454415305.db2.gz YEKVILFUBOMEOT-UHFFFAOYSA-N 0 0 333.294 3.325 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn21 ZINC000091454742 454436532 /nfs/dbraw/zinc/43/65/32/454436532.db2.gz XVNJSIBLPDGWDK-CYBMUJFWSA-N 0 0 327.319 3.118 10 5 EGBERN O=c1c([N+](=O)[O-])c(NCc2cccc3ccccc32)nc2ccccn21 ZINC000063736158 454442815 /nfs/dbraw/zinc/44/28/15/454442815.db2.gz QWARSFIGVOZIGL-UHFFFAOYSA-N 0 0 346.346 3.368 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121735911 454471001 /nfs/dbraw/zinc/47/10/01/454471001.db2.gz KEGRFVLYULSLNG-OAHLLOKOSA-N 0 0 345.403 3.227 10 5 EGBERN Cc1cc(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)s1 ZINC000064307110 454472394 /nfs/dbraw/zinc/47/23/94/454472394.db2.gz KGUQHOWRGNIEQI-UHFFFAOYSA-N 0 0 332.337 3.064 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1C ZINC000101947952 454489136 /nfs/dbraw/zinc/48/91/36/454489136.db2.gz JZCPJFYUXYVUFL-QWHCGFSZSA-N 0 0 336.779 3.232 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092096380 454521173 /nfs/dbraw/zinc/52/11/73/454521173.db2.gz WSIOUDYIBFYOSB-MNEFBYGVSA-N 0 0 348.443 3.487 10 5 EGBERN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000065091835 454528302 /nfs/dbraw/zinc/52/83/02/454528302.db2.gz HSCIZVTZLHVDMI-LBPRGKRZSA-N 0 0 348.380 3.081 10 5 EGBERN Cc1ccccc1OCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376612 454551437 /nfs/dbraw/zinc/55/14/37/454551437.db2.gz LJWHFNUXBANKEG-CYBMUJFWSA-N 0 0 326.352 3.260 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000074271203 454552975 /nfs/dbraw/zinc/55/29/75/454552975.db2.gz PQQULOIEGZRQHR-HNNXBMFYSA-N 0 0 327.388 3.254 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000074271201 454553391 /nfs/dbraw/zinc/55/33/91/454553391.db2.gz PQQULOIEGZRQHR-OAHLLOKOSA-N 0 0 327.388 3.254 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000050422346 454586400 /nfs/dbraw/zinc/58/64/00/454586400.db2.gz DWOPNOBNMLXPNK-UHFFFAOYSA-N 0 0 328.368 3.322 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104460050 454587684 /nfs/dbraw/zinc/58/76/84/454587684.db2.gz SWSNUIZFXGREMQ-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C(=O)N(C)C)cc2)c1 ZINC000080543526 454597788 /nfs/dbraw/zinc/59/77/88/454597788.db2.gz NQXUIBZARFJTMK-UHFFFAOYSA-N 0 0 347.346 3.056 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000074746468 454629693 /nfs/dbraw/zinc/62/96/93/454629693.db2.gz SFIMSXIYXIXDDR-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105894717 454664685 /nfs/dbraw/zinc/66/46/85/454664685.db2.gz XBQHXWFYTUEMEK-MRXNPFEDSA-N 0 0 344.415 3.291 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)on1 ZINC000135646305 454695648 /nfs/dbraw/zinc/69/56/48/454695648.db2.gz HHDOFCMHGFTPIF-UHFFFAOYSA-N 0 0 335.385 3.275 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000161572757 454704699 /nfs/dbraw/zinc/70/46/99/454704699.db2.gz RHSBOQLBAKAFGS-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CCc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000124490376 454739737 /nfs/dbraw/zinc/73/97/37/454739737.db2.gz YPVYZSHSPDNVFV-UHFFFAOYSA-N 0 0 333.413 3.237 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000124692660 454760792 /nfs/dbraw/zinc/76/07/92/454760792.db2.gz UYPUKCPEUMDRJW-SECBINFHSA-N 0 0 334.307 3.020 10 5 EGBERN COC(=O)c1cc(F)ccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153127891 454762947 /nfs/dbraw/zinc/76/29/47/454762947.db2.gz OVRDRXXQZQFLAJ-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN Cc1cccc2c1CC[C@@H]2NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153327108 454783546 /nfs/dbraw/zinc/78/35/46/454783546.db2.gz UEZUFPKLHMGLKP-KRWDZBQOSA-N 0 0 346.408 3.010 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946481 454817785 /nfs/dbraw/zinc/81/77/85/454817785.db2.gz DRBJRJSBWKEZEO-ZDUSSCGKSA-N 0 0 347.806 3.143 10 5 EGBERN Cc1c(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000125805420 454849120 /nfs/dbraw/zinc/84/91/20/454849120.db2.gz SSRSETXDAAKMIW-KRWDZBQOSA-N 0 0 346.427 3.396 10 5 EGBERN O=C(CCc1ccccc1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153962392 454851645 /nfs/dbraw/zinc/85/16/45/454851645.db2.gz PVYCOTPOJLZPHE-UHFFFAOYSA-N 0 0 340.379 3.424 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000177359989 454855983 /nfs/dbraw/zinc/85/59/83/454855983.db2.gz RCAQMNVJQABJDA-SNVBAGLBSA-N 0 0 335.360 3.210 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)c1 ZINC000154221715 454875322 /nfs/dbraw/zinc/87/53/22/454875322.db2.gz BRDGJJUTMIUUHR-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN CCC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCCC1 ZINC000126209229 454877979 /nfs/dbraw/zinc/87/79/79/454877979.db2.gz SPCXQPSLHDNKFK-UHFFFAOYSA-N 0 0 326.418 3.381 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177795077 454906600 /nfs/dbraw/zinc/90/66/00/454906600.db2.gz LUEJQBZLELBKMW-VOIUYBSRSA-N 0 0 346.408 3.213 10 5 EGBERN Cc1cccc([C@@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000154668077 454917127 /nfs/dbraw/zinc/91/71/27/454917127.db2.gz YOSGLVWGNUBOBQ-AWEZNQCLSA-N 0 0 348.424 3.126 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1CCCc2c(F)ccc(C)c21 ZINC000170591987 454935808 /nfs/dbraw/zinc/93/58/08/454935808.db2.gz DNEDIMARUSVXDQ-UHFFFAOYSA-N 0 0 346.362 3.160 10 5 EGBERN C[C@H](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000127545199 454975858 /nfs/dbraw/zinc/97/58/58/454975858.db2.gz XUNBVOBOPRYRFS-QOLSBQFWSA-N 0 0 325.217 3.471 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000151514854 454995836 /nfs/dbraw/zinc/99/58/36/454995836.db2.gz KKCAIGOTDWVJDE-CXAGYDPISA-N 0 0 333.388 3.062 10 5 EGBERN Cc1cccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C ZINC000115113584 454998543 /nfs/dbraw/zinc/99/85/43/454998543.db2.gz LMEFRXFKFHCRJM-HNNXBMFYSA-N 0 0 328.372 3.129 10 5 EGBERN O=C1NCC[C@@H]1Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000179003100 454998643 /nfs/dbraw/zinc/99/86/43/454998643.db2.gz OSWGIHRFCROZLX-HNNXBMFYSA-N 0 0 334.404 3.016 10 5 EGBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cccnc1 ZINC000600950398 460657215 /nfs/dbraw/zinc/65/72/15/460657215.db2.gz GQFSKKPHPLPQNC-ZDUSSCGKSA-N 0 0 325.368 3.289 10 5 EGBERN Cc1sc(C(=O)N2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000151779018 455029163 /nfs/dbraw/zinc/02/91/63/455029163.db2.gz HYBSNWBQZVIDTJ-UHFFFAOYSA-N 0 0 326.418 3.384 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1csc(N(C)C2CC2)n1 ZINC000155948936 455065426 /nfs/dbraw/zinc/06/54/26/455065426.db2.gz WYDUXXJAHSALQC-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000152084880 455070431 /nfs/dbraw/zinc/07/04/31/455070431.db2.gz MVTAPGZLCLULNJ-GOEBONIOSA-N 0 0 346.333 3.335 10 5 EGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1CO ZINC000128694960 455077811 /nfs/dbraw/zinc/07/78/11/455077811.db2.gz GCDORFAGAVOJCZ-UHFFFAOYSA-N 0 0 336.369 3.108 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000171804311 455094834 /nfs/dbraw/zinc/09/48/34/455094834.db2.gz SCFRUBADOBRPJI-ZETCQYMHSA-N 0 0 340.742 3.164 10 5 EGBERN CC(C)CN(CC(F)(F)F)C(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000152293781 455098565 /nfs/dbraw/zinc/09/85/65/455098565.db2.gz GFIRDTFUZJSWMV-UHFFFAOYSA-N 0 0 333.310 3.054 10 5 EGBERN CC[C@H](NC(=O)CC(C)(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000119062350 455123646 /nfs/dbraw/zinc/12/36/46/455123646.db2.gz BROYFKKSVHXJII-AWEZNQCLSA-N 0 0 336.388 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CCC3)C2)c1 ZINC000180137280 455138478 /nfs/dbraw/zinc/13/84/78/455138478.db2.gz WMHUKRIRRWUPMV-UHFFFAOYSA-N 0 0 344.820 3.121 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172441920 455154492 /nfs/dbraw/zinc/15/44/92/455154492.db2.gz YTFLRFJMIPIDSC-AWEZNQCLSA-N 0 0 333.432 3.220 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1CO ZINC000157056062 455163235 /nfs/dbraw/zinc/16/32/35/455163235.db2.gz WCWIAPLIHMBYOF-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c(C)s1 ZINC000172602150 455164157 /nfs/dbraw/zinc/16/41/57/455164157.db2.gz VHEZOAOUONLPSX-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN CCc1cnc(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000182887261 455184762 /nfs/dbraw/zinc/18/47/62/455184762.db2.gz WFVPXULGIUNWIO-DHZHZOJOSA-N 0 0 331.397 3.333 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000264365976 455199075 /nfs/dbraw/zinc/19/90/75/455199075.db2.gz BUDMIIAVYNMYOR-FNORWQNLSA-N 0 0 345.355 3.040 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879962 455202105 /nfs/dbraw/zinc/20/21/05/455202105.db2.gz OALGHQWHXZNGJU-RYUDHWBXSA-N 0 0 347.371 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000172955117 455213203 /nfs/dbraw/zinc/21/32/03/455213203.db2.gz DWQFUNIHDNNZCA-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000173493968 455293869 /nfs/dbraw/zinc/29/38/69/455293869.db2.gz YMUAZETVPDCOSA-CYBMUJFWSA-N 0 0 331.397 3.000 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000173588544 455311127 /nfs/dbraw/zinc/31/11/27/455311127.db2.gz SKKVPQJLBRUFOT-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@]3(CCc4ccccc43)C2)cs1 ZINC000158527901 455311266 /nfs/dbraw/zinc/31/12/66/455311266.db2.gz QFNKQNDEULWXOQ-QGZVFWFLSA-N 0 0 330.409 3.330 10 5 EGBERN CC[C@@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000181437617 455334305 /nfs/dbraw/zinc/33/43/05/455334305.db2.gz YWWVZFNRXDOFKV-SNVBAGLBSA-N 0 0 349.412 3.467 10 5 EGBERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000181455660 455337524 /nfs/dbraw/zinc/33/75/24/455337524.db2.gz DYYKLUONCDPFCO-UHFFFAOYSA-N 0 0 345.403 3.008 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000159259279 455365774 /nfs/dbraw/zinc/36/57/74/455365774.db2.gz FXMUEDPZHVELJF-JTQLQIEISA-N 0 0 348.428 3.099 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159743489 455399611 /nfs/dbraw/zinc/39/96/11/455399611.db2.gz RRQOWZSBYCABSK-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](CC)C(=O)OCC ZINC000190940711 455410533 /nfs/dbraw/zinc/41/05/33/455410533.db2.gz QFRDUHBVQZPFIJ-LLVKDONJSA-N 0 0 342.417 3.159 10 5 EGBERN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000175542062 455460790 /nfs/dbraw/zinc/46/07/90/455460790.db2.gz WRVBUZKVZAUJIG-UHFFFAOYSA-N 0 0 347.440 3.441 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cs1 ZINC000160609037 455479806 /nfs/dbraw/zinc/47/98/06/455479806.db2.gz OMFHFWJJLAPAIU-ZDUSSCGKSA-N 0 0 347.444 3.311 10 5 EGBERN Cc1nc2sccn2c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000266944451 455480069 /nfs/dbraw/zinc/48/00/69/455480069.db2.gz CIIBQNBHYAJBHW-UHFFFAOYSA-N 0 0 344.396 3.193 10 5 EGBERN O=C(CC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182306737 455484804 /nfs/dbraw/zinc/48/48/04/455484804.db2.gz HUKADACMJGTULO-SECBINFHSA-N 0 0 343.177 3.113 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)n1 ZINC000191614311 455503718 /nfs/dbraw/zinc/50/37/18/455503718.db2.gz JRUGMZFUOHSVSL-MRXNPFEDSA-N 0 0 330.388 3.281 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191640433 455506143 /nfs/dbraw/zinc/50/61/43/455506143.db2.gz MHHXBZRWFKDIDD-HNNXBMFYSA-N 0 0 344.415 3.213 10 5 EGBERN CCCCCN(CCO)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267342988 455542933 /nfs/dbraw/zinc/54/29/33/455542933.db2.gz HADIJXWYUWCHFG-MRXNPFEDSA-N 0 0 337.420 3.240 10 5 EGBERN Cc1ccc([C@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000182593781 455549720 /nfs/dbraw/zinc/54/97/20/455549720.db2.gz OELUFJLNVADRRG-NSHDSACASA-N 0 0 328.328 3.397 10 5 EGBERN CCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000185598714 455583497 /nfs/dbraw/zinc/58/34/97/455583497.db2.gz DYTWNEOUWTYSPA-UHFFFAOYSA-N 0 0 345.380 3.208 10 5 EGBERN COc1cc(N2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1F ZINC000268223284 455623471 /nfs/dbraw/zinc/62/34/71/455623471.db2.gz RRWAGMKAIRIEOW-HNNXBMFYSA-N 0 0 338.360 3.382 10 5 EGBERN Cc1c(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1C(C)C ZINC000292357035 455638595 /nfs/dbraw/zinc/63/85/95/455638595.db2.gz ZJJNEXOXRIJVMA-LBPRGKRZSA-N 0 0 332.360 3.302 10 5 EGBERN COc1ccccc1CN(OC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000292392363 455649604 /nfs/dbraw/zinc/64/96/04/455649604.db2.gz ZJDFBCPSMFRMEP-UHFFFAOYSA-N 0 0 336.369 3.177 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186024098 455677664 /nfs/dbraw/zinc/67/76/64/455677664.db2.gz OXPDUFOVLGMFCZ-SNVBAGLBSA-N 0 0 330.306 3.499 10 5 EGBERN C[C@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccccc1[N+](=O)[O-] ZINC000271678907 455720400 /nfs/dbraw/zinc/72/04/00/455720400.db2.gz JQHFNJUPGDDSFZ-NSHDSACASA-N 0 0 346.387 3.441 10 5 EGBERN CCCC(O)(CCC)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271707013 455728703 /nfs/dbraw/zinc/72/87/03/455728703.db2.gz IURFWOAAIWPJCR-CYBMUJFWSA-N 0 0 337.420 3.286 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCOC2(CCC2)C1 ZINC000278101924 455758556 /nfs/dbraw/zinc/75/85/56/455758556.db2.gz QYNARPRUFUBNJF-UHFFFAOYSA-N 0 0 348.402 3.489 10 5 EGBERN O=C(N[C@H]1CCCC[C@@H]1O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278121724 455763022 /nfs/dbraw/zinc/76/30/22/455763022.db2.gz LPSDUCZFZCKQNU-IRXDYDNUSA-N 0 0 336.391 3.127 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000269076207 455783359 /nfs/dbraw/zinc/78/33/59/455783359.db2.gz BWEKUVPPJAYTKC-BMIGLBTASA-N 0 0 342.392 3.209 10 5 EGBERN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000194145058 455808116 /nfs/dbraw/zinc/80/81/16/455808116.db2.gz WKTWPGIOANDHGN-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000194542566 455857064 /nfs/dbraw/zinc/85/70/64/455857064.db2.gz ORKCAOVGCINJBK-LLVKDONJSA-N 0 0 334.401 3.129 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000187406356 455906300 /nfs/dbraw/zinc/90/63/00/455906300.db2.gz AAQGNHSBIBJPIU-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000187406375 455906793 /nfs/dbraw/zinc/90/67/93/455906793.db2.gz AAQGNHSBIBJPIU-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN CC(C)N(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000272470356 455962493 /nfs/dbraw/zinc/96/24/93/455962493.db2.gz MZAFMAQRCDCPMQ-UHFFFAOYSA-N 0 0 340.742 3.176 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000286145896 455987762 /nfs/dbraw/zinc/98/77/62/455987762.db2.gz NVCIWQCBQIAZQS-ZDUSSCGKSA-N 0 0 347.396 3.488 10 5 EGBERN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000270786999 456038290 /nfs/dbraw/zinc/03/82/90/456038290.db2.gz VTGNPQAFPUWPFY-JTQLQIEISA-N 0 0 348.790 3.348 10 5 EGBERN COc1ccc(NC(=O)N(C)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000272779429 456068268 /nfs/dbraw/zinc/06/82/68/456068268.db2.gz DMJSPJUVGHMXLM-UHFFFAOYSA-N 0 0 341.367 3.235 10 5 EGBERN C[C@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2NC1=O ZINC000301267489 456075776 /nfs/dbraw/zinc/07/57/76/456075776.db2.gz IJUDDMSMMCLQGP-SSDOTTSWSA-N 0 0 334.719 3.106 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NCC[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC000225532469 456091157 /nfs/dbraw/zinc/09/11/57/456091157.db2.gz MSWNNQWNQXJABP-UHFFFAOYSA-N 0 0 346.463 3.309 10 5 EGBERN C[C@@H]1CC[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301424247 456112123 /nfs/dbraw/zinc/11/21/23/456112123.db2.gz GGLDRQVNMWJXEC-OLZOCXBDSA-N 0 0 342.399 3.184 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(c3ccccc3)CC2)c1 ZINC000301428189 456113606 /nfs/dbraw/zinc/11/36/06/456113606.db2.gz DWOFWPLLSMZUIF-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN O=C(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCCCC1 ZINC000301447311 456118058 /nfs/dbraw/zinc/11/80/58/456118058.db2.gz QPYCBLWDWNYWIG-UHFFFAOYSA-N 0 0 345.321 3.474 10 5 EGBERN Cc1ccc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301456904 456120648 /nfs/dbraw/zinc/12/06/48/456120648.db2.gz XEJZKYLKGWFYCB-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN COc1cc(N2CCO[C@H](c3cccs3)C2)c(F)cc1[N+](=O)[O-] ZINC000271101006 456126361 /nfs/dbraw/zinc/12/63/61/456126361.db2.gz PDFVWDZIPDOOLA-AWEZNQCLSA-N 0 0 338.360 3.382 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000601116735 460715919 /nfs/dbraw/zinc/71/59/19/460715919.db2.gz PNAHHINNHVMMBC-UHFFFAOYSA-N 0 0 335.310 3.316 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000301579595 456151464 /nfs/dbraw/zinc/15/14/64/456151464.db2.gz SJKXDNRZOBTIPA-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000301631643 456169435 /nfs/dbraw/zinc/16/94/35/456169435.db2.gz JEWPYNCQSSEKAA-NHYWBVRUSA-N 0 0 334.351 3.027 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301669785 456180666 /nfs/dbraw/zinc/18/06/66/456180666.db2.gz NHBNVXPNLDRVDY-OLZOCXBDSA-N 0 0 329.356 3.287 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1ccnn1C ZINC000281275356 456186064 /nfs/dbraw/zinc/18/60/64/456186064.db2.gz FZGLEBMHMKODOR-MRXNPFEDSA-N 0 0 330.388 3.064 10 5 EGBERN O=C1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000301743991 456204236 /nfs/dbraw/zinc/20/42/36/456204236.db2.gz MTCNDEUQYWUETC-CYBMUJFWSA-N 0 0 346.774 3.251 10 5 EGBERN O=C1[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCN1c1ccccc1 ZINC000301763756 456208174 /nfs/dbraw/zinc/20/81/74/456208174.db2.gz CIVOGKSUBODHRO-CQSZACIVSA-N 0 0 333.294 3.090 10 5 EGBERN COc1ccc2[nH]c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2c1 ZINC000189083037 456220333 /nfs/dbraw/zinc/22/03/33/456220333.db2.gz VFJHMIJKLLRIJJ-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601121388 460719115 /nfs/dbraw/zinc/71/91/15/460719115.db2.gz NJPVQRSCDBUFCY-LURJTMIESA-N 0 0 335.311 3.367 10 5 EGBERN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301857059 456234206 /nfs/dbraw/zinc/23/42/06/456234206.db2.gz ZLUWTGOIQQFXBR-NVXWUHKLSA-N 0 0 342.355 3.360 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCc4c3cccc4Cl)nn21 ZINC000301894812 456244939 /nfs/dbraw/zinc/24/49/39/456244939.db2.gz BDRJPLIAARLCCL-GFCCVEGCSA-N 0 0 329.747 3.390 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1nnc2n1CCCC2 ZINC000301960488 456259723 /nfs/dbraw/zinc/25/97/23/456259723.db2.gz PYVXVVCULOUDIJ-NSHDSACASA-N 0 0 338.371 3.244 10 5 EGBERN CCOCc1nc([C@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000290199024 456265396 /nfs/dbraw/zinc/26/53/96/456265396.db2.gz OYHBVUCJZZNPLM-SMDDNHRTSA-N 0 0 334.376 3.316 10 5 EGBERN Cc1cc(N2CCC[C@H](n3cccn3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302002631 456267664 /nfs/dbraw/zinc/26/76/64/456267664.db2.gz JPSLTBGATQFFIC-AWEZNQCLSA-N 0 0 337.383 3.489 10 5 EGBERN C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026371 456270794 /nfs/dbraw/zinc/27/07/94/456270794.db2.gz IEMTXMKAVRDUPC-APPDUMDISA-N 0 0 334.347 3.150 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1c(F)c(F)cc(F)c1F ZINC000302032433 456272630 /nfs/dbraw/zinc/27/26/30/456272630.db2.gz KOBHZXNBALSLHT-UHFFFAOYSA-N 0 0 330.237 3.256 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000302037237 456273394 /nfs/dbraw/zinc/27/33/94/456273394.db2.gz MKGCFYDNHVLQMZ-OAHLLOKOSA-N 0 0 348.786 3.398 10 5 EGBERN COc1ccccc1[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302063364 456277980 /nfs/dbraw/zinc/27/79/80/456277980.db2.gz SRUOWLDRTIMOQW-AWEZNQCLSA-N 0 0 328.368 3.090 10 5 EGBERN COC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000297735669 456282675 /nfs/dbraw/zinc/28/26/75/456282675.db2.gz HQGDGUYJNAYFMX-AWEZNQCLSA-N 0 0 342.351 3.248 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC3)nc2)c1 ZINC000302109158 456289730 /nfs/dbraw/zinc/28/97/30/456289730.db2.gz SXWMSPIKUJNOMX-UHFFFAOYSA-N 0 0 342.355 3.120 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000302129808 456295134 /nfs/dbraw/zinc/29/51/34/456295134.db2.gz BPDWZQOAAQRAKV-UHFFFAOYSA-N 0 0 339.710 3.181 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(OCc2ccccc2F)CC1 ZINC000601136261 460726244 /nfs/dbraw/zinc/72/62/44/460726244.db2.gz BIZRGNGNXOEJHS-UHFFFAOYSA-N 0 0 349.337 3.454 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C(C)(C)O)cc2)c1 ZINC000302394582 456338896 /nfs/dbraw/zinc/33/88/96/456338896.db2.gz JYWBNPACIOPOIU-UHFFFAOYSA-N 0 0 344.367 3.221 10 5 EGBERN CCCc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000275912905 456348762 /nfs/dbraw/zinc/34/87/62/456348762.db2.gz WPJMNAVUAOCZCU-UHFFFAOYSA-N 0 0 336.779 3.495 10 5 EGBERN O=[N+]([O-])c1ccc(NCCN2CCc3c(Cl)cccc3C2)nc1 ZINC000302517190 456352391 /nfs/dbraw/zinc/35/23/91/456352391.db2.gz AIPRGTQAXZSENQ-UHFFFAOYSA-N 0 0 332.791 3.113 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1cnccc1C ZINC000343033925 456365083 /nfs/dbraw/zinc/36/50/83/456365083.db2.gz LDQGHDDWCYOGBC-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000343073353 456387949 /nfs/dbraw/zinc/38/79/49/456387949.db2.gz SUZMZJMXEPWONY-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN COC(=O)c1cnc(N2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000302784490 456399633 /nfs/dbraw/zinc/39/96/33/456399633.db2.gz UVJOHYGHUXVZIO-QGZVFWFLSA-N 0 0 331.372 3.103 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000347855834 456408476 /nfs/dbraw/zinc/40/84/76/456408476.db2.gz UPUIHVVUBSDCLN-LDYMZIIASA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)n1 ZINC000343222938 456462981 /nfs/dbraw/zinc/46/29/81/456462981.db2.gz OLCJIMQGAFWVBC-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cccc(OC)c2)c1 ZINC000325980149 456689633 /nfs/dbraw/zinc/68/96/33/456689633.db2.gz BEPBKMBQQKDGNK-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN O=C(NC[C@H](O)C(F)(F)F)c1cc2ccccc2c2cccnc12 ZINC000343734232 456769390 /nfs/dbraw/zinc/76/93/90/456769390.db2.gz UIGDTGQDHWOSGR-AWEZNQCLSA-N 0 0 334.297 3.041 10 5 EGBERN C[C@@]12CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000291896162 456790492 /nfs/dbraw/zinc/79/04/92/456790492.db2.gz JVEKDIXDCLXJIX-QPUJVOFHSA-N 0 0 326.328 3.081 10 5 EGBERN COc1ccc(CNC(=O)NC2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000277400970 456812178 /nfs/dbraw/zinc/81/21/78/456812178.db2.gz JTIGEQMIXPPWBZ-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN CC[C@@H](NC(=O)NC(CC)(CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000283714873 456828979 /nfs/dbraw/zinc/82/89/79/456828979.db2.gz UMRRSABOSYVCNA-OAHLLOKOSA-N 0 0 337.420 3.286 10 5 EGBERN CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000339055715 456919035 /nfs/dbraw/zinc/91/90/35/456919035.db2.gz FMCNYVQBGLARRP-UHFFFAOYSA-N 0 0 340.379 3.104 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1c(F)cccc1Br ZINC000349245343 456921744 /nfs/dbraw/zinc/92/17/44/456921744.db2.gz UOVGJWXIBRLCAV-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000339078336 456929678 /nfs/dbraw/zinc/92/96/78/456929678.db2.gz SSNIRGTXFLDKJQ-MEBBXXQBSA-N 0 0 330.315 3.028 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000341769548 456935082 /nfs/dbraw/zinc/93/50/82/456935082.db2.gz CNHVEPLYDIAAFB-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000339112725 456946821 /nfs/dbraw/zinc/94/68/21/456946821.db2.gz SCXKBACBFWJELH-HZMBPMFUSA-N 0 0 332.322 3.470 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000345159510 456947298 /nfs/dbraw/zinc/94/72/98/456947298.db2.gz MERXDKGKSKSQBW-CYBMUJFWSA-N 0 0 345.399 3.355 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341839297 456966828 /nfs/dbraw/zinc/96/68/28/456966828.db2.gz FYHKCROCTOJQLA-TZMCWYRMSA-N 0 0 327.340 3.053 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000341861211 456975330 /nfs/dbraw/zinc/97/53/30/456975330.db2.gz AKZGJVOLVTWUAK-UHFFFAOYSA-N 0 0 341.358 3.291 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1OC(F)F ZINC000358867507 457013300 /nfs/dbraw/zinc/01/33/00/457013300.db2.gz FMBGQSLNQLAFES-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN C[C@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccccc1[N+](=O)[O-] ZINC000342061316 457085947 /nfs/dbraw/zinc/08/59/47/457085947.db2.gz YCMFRCWWWVXROA-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000359817069 457133416 /nfs/dbraw/zinc/13/34/16/457133416.db2.gz ZMYBYUJGSIXMMF-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc[nH]1 ZINC000356723078 457134174 /nfs/dbraw/zinc/13/41/74/457134174.db2.gz DKTMTASCDKUEOZ-UHFFFAOYSA-N 0 0 333.413 3.398 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000331348643 457171240 /nfs/dbraw/zinc/17/12/40/457171240.db2.gz NARDLRDXKNALOP-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN CS[C@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342261877 457197731 /nfs/dbraw/zinc/19/77/31/457197731.db2.gz YATYZCPTIWMRFH-ONGXEEELSA-N 0 0 344.383 3.206 10 5 EGBERN CC[C@@H](c1ccncc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342292276 457217459 /nfs/dbraw/zinc/21/74/59/457217459.db2.gz WGQDORBISLUXRR-INIZCTEOSA-N 0 0 349.337 3.420 10 5 EGBERN Cc1nc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000360067115 457236290 /nfs/dbraw/zinc/23/62/90/457236290.db2.gz UWLNXTBHYXLJKQ-UHFFFAOYSA-N 0 0 330.266 3.250 10 5 EGBERN Cc1c2ccccc2oc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000360077219 457242299 /nfs/dbraw/zinc/24/22/99/457242299.db2.gz YEIHROGEANDPTH-UHFFFAOYSA-N 0 0 346.364 3.128 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC000354471180 457244326 /nfs/dbraw/zinc/24/43/26/457244326.db2.gz BZAJFVNJALIDSZ-UONOGXRCSA-N 0 0 328.393 3.359 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C(F)(F)Cc3ccccc3)n2)n1C ZINC000347127162 457244648 /nfs/dbraw/zinc/24/46/48/457244648.db2.gz XLWDNCGIUKOPLQ-UHFFFAOYSA-N 0 0 349.297 3.021 10 5 EGBERN Cc1ccncc1CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000360093562 457252024 /nfs/dbraw/zinc/25/20/24/457252024.db2.gz MWYKWQSEWDLJOY-UHFFFAOYSA-N 0 0 337.177 3.092 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCNc2ccccn2)c1 ZINC000360113728 457260888 /nfs/dbraw/zinc/26/08/88/457260888.db2.gz SEZGRFSIVORBJF-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CN(CC(F)F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347174176 457271279 /nfs/dbraw/zinc/27/12/79/457271279.db2.gz WRXPECMGBAEBTO-UHFFFAOYSA-N 0 0 338.108 3.086 10 5 EGBERN C[C@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000347175873 457272893 /nfs/dbraw/zinc/27/28/93/457272893.db2.gz ASDCEAOJHKQZAB-JTQLQIEISA-N 0 0 331.376 3.498 10 5 EGBERN Cc1noc(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347288016 457331991 /nfs/dbraw/zinc/33/19/91/457331991.db2.gz JJECWCOZCGKYHF-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@H]3CCCO3)no2)ccc1OC(F)F ZINC000357120384 457333536 /nfs/dbraw/zinc/33/35/36/457333536.db2.gz NEFFEKXYIIIDQP-SNVBAGLBSA-N 0 0 327.243 3.098 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424989288 457396815 /nfs/dbraw/zinc/39/68/15/457396815.db2.gz PYMZOYDDNPAMRY-LRDDRELGSA-N 0 0 329.400 3.113 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369786121 457398494 /nfs/dbraw/zinc/39/84/94/457398494.db2.gz DNXRXXZRBOQNOS-GOSISDBHSA-N 0 0 343.358 3.241 10 5 EGBERN CCOC(=O)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000360884575 457406979 /nfs/dbraw/zinc/40/69/79/457406979.db2.gz SLJXQNXQKDQJRJ-CQSZACIVSA-N 0 0 329.356 3.057 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000360886275 457408612 /nfs/dbraw/zinc/40/86/12/457408612.db2.gz XJZNCJYYMSQXRK-DTWKUNHWSA-N 0 0 348.325 3.244 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000360897781 457419139 /nfs/dbraw/zinc/41/91/39/457419139.db2.gz OSZXQYWMZFEDEB-MNOVXSKESA-N 0 0 345.321 3.196 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000369889977 457446767 /nfs/dbraw/zinc/44/67/67/457446767.db2.gz VSUVVKQQQWCRRC-GFCCVEGCSA-N 0 0 342.399 3.493 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1C(C)C ZINC000347470908 457449969 /nfs/dbraw/zinc/44/99/69/457449969.db2.gz BIVPCRYNLKOIRN-UHFFFAOYSA-N 0 0 345.403 3.405 10 5 EGBERN CCC(CC)n1nccc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357330478 457451159 /nfs/dbraw/zinc/45/11/59/457451159.db2.gz HLMZBEIILFNJAF-UHFFFAOYSA-N 0 0 342.359 3.188 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000364114252 457483113 /nfs/dbraw/zinc/48/31/13/457483113.db2.gz ZKMLXTJLEMDYTP-AWEZNQCLSA-N 0 0 348.334 3.183 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000360978543 457483997 /nfs/dbraw/zinc/48/39/97/457483997.db2.gz FPGZLJADUIQCCD-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000347533449 457491176 /nfs/dbraw/zinc/49/11/76/457491176.db2.gz BZOFTNWJXRLXAK-SNVBAGLBSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374162418 457502916 /nfs/dbraw/zinc/50/29/16/457502916.db2.gz NWECZEDZYYIKFB-DUOKCRBOSA-N 0 0 346.427 3.305 10 5 EGBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)c1ccnc(C(F)(F)F)c1 ZINC000361008988 457507725 /nfs/dbraw/zinc/50/77/25/457507725.db2.gz YELJTVQPSHSLHA-UHFFFAOYSA-N 0 0 344.220 3.409 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000374209541 457523197 /nfs/dbraw/zinc/52/31/97/457523197.db2.gz CFJZSIJQXRGUFZ-CQSZACIVSA-N 0 0 330.315 3.027 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccccc1-n1cccn1 ZINC000361041315 457535400 /nfs/dbraw/zinc/53/54/00/457535400.db2.gz DYANDTQJUROVSX-GFCCVEGCSA-N 0 0 340.387 3.478 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)[C@H]1C ZINC000357539370 457585472 /nfs/dbraw/zinc/58/54/72/457585472.db2.gz PNEBZRMGNIAMSJ-MCIONIFRSA-N 0 0 331.416 3.312 10 5 EGBERN CC(C)N1C(=O)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000361172320 457628215 /nfs/dbraw/zinc/62/82/15/457628215.db2.gz RDSSUYXOAFMKOW-UHFFFAOYSA-N 0 0 325.796 3.084 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@](F)(c2ccccc2)C1 ZINC000374524644 457648976 /nfs/dbraw/zinc/64/89/76/457648976.db2.gz WNWFMZABICIYRO-QGZVFWFLSA-N 0 0 332.306 3.445 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000364598214 457652617 /nfs/dbraw/zinc/65/26/17/457652617.db2.gz AMUXISZSJOOBKW-CYBMUJFWSA-N 0 0 341.415 3.310 10 5 EGBERN COc1cc(CNc2cccc3c2OCCC3)c([N+](=O)[O-])cc1O ZINC000370502275 457662367 /nfs/dbraw/zinc/66/23/67/457662367.db2.gz BSOZVVMXKFAHNM-UHFFFAOYSA-N 0 0 330.340 3.246 10 5 EGBERN Cc1nn(C)c(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000370542374 457670183 /nfs/dbraw/zinc/67/01/83/457670183.db2.gz AAADBZSAMQFYLT-SNVBAGLBSA-N 0 0 332.326 3.196 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000370578175 457676733 /nfs/dbraw/zinc/67/67/33/457676733.db2.gz SJZJMRMIBNIFKT-CVEARBPZSA-N 0 0 347.415 3.190 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC000374648793 457680160 /nfs/dbraw/zinc/68/01/60/457680160.db2.gz REGSWTDWMWFWTB-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1cn2c(n1)CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000374690771 457687996 /nfs/dbraw/zinc/68/79/96/457687996.db2.gz BPRZIJQWEDNKEH-UHFFFAOYSA-N 0 0 338.367 3.376 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000364772109 457690627 /nfs/dbraw/zinc/69/06/27/457690627.db2.gz AZCNVUXOIYOPGV-HNNXBMFYSA-N 0 0 348.399 3.025 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC(F)(F)C[C@@H]2CO)o1 ZINC000364845415 457704088 /nfs/dbraw/zinc/70/40/88/457704088.db2.gz QMNZCJDXLSAMNP-LLVKDONJSA-N 0 0 338.310 3.057 10 5 EGBERN Cc1ccncc1CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000357839380 457707045 /nfs/dbraw/zinc/70/70/45/457707045.db2.gz XUQYLBYKRBBWNS-UHFFFAOYSA-N 0 0 327.384 3.496 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374867918 457723150 /nfs/dbraw/zinc/72/31/50/457723150.db2.gz HGYOYKSCENLUMM-LBPRGKRZSA-N 0 0 343.305 3.185 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCc2nc[nH]c2C1 ZINC000370862073 457730343 /nfs/dbraw/zinc/73/03/43/457730343.db2.gz NUYLGSWBJCDVPO-VIFPVBQESA-N 0 0 326.278 3.306 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000410758147 457750083 /nfs/dbraw/zinc/75/00/83/457750083.db2.gz BVWPFQFYLHOHQJ-DPIQGUFMSA-N 0 0 332.356 3.065 10 5 EGBERN CCc1n[nH]c(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000443950564 457828668 /nfs/dbraw/zinc/82/86/68/457828668.db2.gz HTWBFRCCTAZLCM-LBPRGKRZSA-N 0 0 330.388 3.330 10 5 EGBERN O=C(COc1c(F)cccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000361757722 457839506 /nfs/dbraw/zinc/83/95/06/457839506.db2.gz SRCLXANJIDDNSR-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN CC1(C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366577485 457859142 /nfs/dbraw/zinc/85/91/42/457859142.db2.gz UDADCHLXHHKVFR-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000375401069 457915131 /nfs/dbraw/zinc/91/51/31/457915131.db2.gz CQNKFOXTLOEKOG-LBPRGKRZSA-N 0 0 333.388 3.078 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000375451454 457936813 /nfs/dbraw/zinc/93/68/13/457936813.db2.gz TZRIFSOGLQVYLU-LBPRGKRZSA-N 0 0 345.359 3.250 10 5 EGBERN CO[C@@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000458195414 457964833 /nfs/dbraw/zinc/96/48/33/457964833.db2.gz PRVNOFRAQYJBPE-CHWSQXEVSA-N 0 0 338.791 3.244 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)n1 ZINC000427339581 457974552 /nfs/dbraw/zinc/97/45/52/457974552.db2.gz WEYABTCGGZHGSX-LSDHHAIUSA-N 0 0 342.399 3.267 10 5 EGBERN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444890951 457995174 /nfs/dbraw/zinc/99/51/74/457995174.db2.gz YLHMIAJXMLBIDY-SECBINFHSA-N 0 0 345.384 3.093 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3C[C@H](c4ccccc4)C3)cc2N1 ZINC000375629921 457997523 /nfs/dbraw/zinc/99/75/23/457997523.db2.gz SFQMFNJDVMTNSK-JOCQHMNTSA-N 0 0 339.351 3.284 10 5 EGBERN Cc1cncc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000445141222 458019499 /nfs/dbraw/zinc/01/94/99/458019499.db2.gz VGUHWONCEVCBJG-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN CC(C)c1cc(=NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[nH][nH]1 ZINC000445180180 458022692 /nfs/dbraw/zinc/02/26/92/458022692.db2.gz ZABLHKAJFJEZDM-UHFFFAOYSA-N 0 0 346.390 3.202 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371678600 458028681 /nfs/dbraw/zinc/02/86/81/458028681.db2.gz CENXSGUAQGGXKK-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN CC(C)(C)n1cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000445646351 458074198 /nfs/dbraw/zinc/07/41/98/458074198.db2.gz FKONNVMZBOSTIF-UHFFFAOYSA-N 0 0 341.371 3.382 10 5 EGBERN CC[C@@H](NC(=O)c1occ2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000375841391 458091110 /nfs/dbraw/zinc/09/11/10/458091110.db2.gz RTPBBGHTRAZPBR-OAHLLOKOSA-N 0 0 330.340 3.142 10 5 EGBERN COCC[C@@H](COC)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000362345997 458118103 /nfs/dbraw/zinc/11/81/03/458118103.db2.gz RXEKXFOPFLMHIH-HNNXBMFYSA-N 0 0 338.407 3.169 10 5 EGBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458712800 458145076 /nfs/dbraw/zinc/14/50/76/458145076.db2.gz CZGNRNVXNYGEHG-QMCVQRASSA-N 0 0 329.400 3.282 10 5 EGBERN C[C@@H]1C[C@@]2(CCO1)CN(c1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000376002674 458159049 /nfs/dbraw/zinc/15/90/49/458159049.db2.gz DSOQRDBMYBEHIC-WQGACYEGSA-N 0 0 340.807 3.411 10 5 EGBERN COc1cccc(C(=O)NCc2ccc3ccccc3n2)c1[N+](=O)[O-] ZINC000435543322 458159497 /nfs/dbraw/zinc/15/94/97/458159497.db2.gz VIWRORLLVXQNKP-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1CC1CCC1 ZINC000412373789 458185448 /nfs/dbraw/zinc/18/54/48/458185448.db2.gz VTNCEWZUGBDKMI-FGTMMUONSA-N 0 0 344.411 3.116 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc2ncsc2c1 ZINC000362492789 458214662 /nfs/dbraw/zinc/21/46/62/458214662.db2.gz PGLRZCJWZVFUEZ-SECBINFHSA-N 0 0 330.369 3.034 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000376160421 458216840 /nfs/dbraw/zinc/21/68/40/458216840.db2.gz NPPPVTHCHWWGGE-JZXOWHBKSA-N 0 0 337.379 3.398 10 5 EGBERN COC[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435944480 458227859 /nfs/dbraw/zinc/22/78/59/458227859.db2.gz GQDWVQMRBUSQEM-NSHDSACASA-N 0 0 336.348 3.243 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000412604406 458246540 /nfs/dbraw/zinc/24/65/40/458246540.db2.gz LFVAFCXDKFZUEP-AAEUAGOBSA-N 0 0 348.790 3.048 10 5 EGBERN Cc1n[nH]c(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000412665021 458264568 /nfs/dbraw/zinc/26/45/68/458264568.db2.gz DRIUGWNQIWWDFY-AWEZNQCLSA-N 0 0 340.383 3.036 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NCCc2cc(-c3ccncc3)n[nH]2)c(F)c1 ZINC000436423866 458303428 /nfs/dbraw/zinc/30/34/28/458303428.db2.gz BFZXKLARPDSPBE-UHFFFAOYSA-N 0 0 345.309 3.313 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCCOC3)cc1OC(F)F ZINC000376490041 458316915 /nfs/dbraw/zinc/31/69/15/458316915.db2.gz XHWHXOMDRIZKOF-HNNXBMFYSA-N 0 0 328.315 3.203 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCOc4cc(F)ccc43)nc2c1 ZINC000447673764 458327726 /nfs/dbraw/zinc/32/77/26/458327726.db2.gz ZVSWZVKTVYWRDK-CYBMUJFWSA-N 0 0 342.330 3.358 10 5 EGBERN CC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1c(C)nn(C)c1C ZINC000430215153 458423354 /nfs/dbraw/zinc/42/33/54/458423354.db2.gz DGWKBOKWNOAZBR-HNNXBMFYSA-N 0 0 332.404 3.195 10 5 EGBERN CCCc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)o1 ZINC000459992868 458495298 /nfs/dbraw/zinc/49/52/98/458495298.db2.gz WYMWFGXCASXZDW-SNVBAGLBSA-N 0 0 329.356 3.435 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438456742 458580308 /nfs/dbraw/zinc/58/03/08/458580308.db2.gz DGWGEXZEEFRNMJ-QWRGUYRKSA-N 0 0 345.321 3.397 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000438843379 458620930 /nfs/dbraw/zinc/62/09/30/458620930.db2.gz VONPGASFOQNZSZ-IMJJTQAJSA-N 0 0 347.415 3.114 10 5 EGBERN CCOC(=O)c1ccc(C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000438884140 458625809 /nfs/dbraw/zinc/62/58/09/458625809.db2.gz PNCXSGNXILVNRM-UHFFFAOYSA-N 0 0 346.364 3.142 10 5 EGBERN Cc1c(CC(=O)N2CCc3cc(F)c(F)cc32)cccc1[N+](=O)[O-] ZINC000438902474 458627677 /nfs/dbraw/zinc/62/76/77/458627677.db2.gz SIRAXAWDKWVKAW-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438934904 458631935 /nfs/dbraw/zinc/63/19/35/458631935.db2.gz IPTNYUQSBKVJFJ-GARJFASQSA-N 0 0 326.780 3.195 10 5 EGBERN CCc1cc(NC(=O)CCOCC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462629811 458636095 /nfs/dbraw/zinc/63/60/95/458636095.db2.gz GCJARPVDAIOAFS-UHFFFAOYSA-N 0 0 345.399 3.129 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439085057 458652557 /nfs/dbraw/zinc/65/25/57/458652557.db2.gz MMAUUOAYNRJIAI-INIZCTEOSA-N 0 0 340.379 3.312 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc2c1C(=O)NC2 ZINC000439130744 458659850 /nfs/dbraw/zinc/65/98/50/458659850.db2.gz CKSGUVASIRDEEA-UHFFFAOYSA-N 0 0 345.742 3.052 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456397337 458663091 /nfs/dbraw/zinc/66/30/91/458663091.db2.gz BTXJPVWZGWXDGB-CQSZACIVSA-N 0 0 348.790 3.199 10 5 EGBERN COc1ncccc1N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439174253 458665982 /nfs/dbraw/zinc/66/59/82/458665982.db2.gz WEOCZJCEZJBWPY-UHFFFAOYSA-N 0 0 329.356 3.398 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000494385145 458668260 /nfs/dbraw/zinc/66/82/60/458668260.db2.gz MKFMYISQZTVYML-LBPRGKRZSA-N 0 0 328.368 3.273 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1O ZINC000432133648 458687712 /nfs/dbraw/zinc/68/77/12/458687712.db2.gz OIHBYTVZLUKXRY-XJKSGUPXSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439309290 458688771 /nfs/dbraw/zinc/68/87/71/458688771.db2.gz FQDZNHSKNUTCEJ-UONOGXRCSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000472174591 458771847 /nfs/dbraw/zinc/77/18/47/458771847.db2.gz SCCBFWSKRTZOLJ-CMPLNLGQSA-N 0 0 345.321 3.386 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000456822841 458791351 /nfs/dbraw/zinc/79/13/51/458791351.db2.gz SLFIYZSXPLUEQJ-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN COCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000456859394 458803905 /nfs/dbraw/zinc/80/39/05/458803905.db2.gz PIFPLVRTUYPLPT-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@H]1CCCC[C@H]1O ZINC000473518635 458832824 /nfs/dbraw/zinc/83/28/24/458832824.db2.gz KXQFELXMKUVXKR-CXAGYDPISA-N 0 0 329.400 3.308 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOCC1CCCC1 ZINC000457132343 458878145 /nfs/dbraw/zinc/87/81/45/458878145.db2.gz KMVDWADMYRVNQY-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000566478278 458945531 /nfs/dbraw/zinc/94/55/31/458945531.db2.gz NHJGGMHYEGNHLY-UONOGXRCSA-N 0 0 349.431 3.125 10 5 EGBERN CC[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630704 458954592 /nfs/dbraw/zinc/95/45/92/458954592.db2.gz IIYLBFJKWOVMHM-FYWNPIECSA-N 0 0 346.427 3.268 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000475648538 458956323 /nfs/dbraw/zinc/95/63/23/458956323.db2.gz JCAYUPAELCWDNH-LSDHHAIUSA-N 0 0 347.415 3.492 10 5 EGBERN CC[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630707 458956974 /nfs/dbraw/zinc/95/69/74/458956974.db2.gz IIYLBFJKWOVMHM-WYIUCGTISA-N 0 0 346.427 3.268 10 5 EGBERN CC[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000476155157 458983035 /nfs/dbraw/zinc/98/30/35/458983035.db2.gz NZQHWKJZGMKPKF-AWEZNQCLSA-N 0 0 339.395 3.458 10 5 EGBERN O=C(Cc1ccc(Cl)c(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000467983694 458994674 /nfs/dbraw/zinc/99/46/74/458994674.db2.gz LTDIAESYHLQRIN-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(CC)CC ZINC000531887152 458995350 /nfs/dbraw/zinc/99/53/50/458995350.db2.gz BLZLQORHDSXDGE-LSDHHAIUSA-N 0 0 335.404 3.046 10 5 EGBERN Cc1nn(C)c(C(=O)Nc2ccccc2CCC(C)C)c1[N+](=O)[O-] ZINC000520166392 459035649 /nfs/dbraw/zinc/03/56/49/459035649.db2.gz HMTAVHFWZAHKND-UHFFFAOYSA-N 0 0 330.388 3.478 10 5 EGBERN CC(C)n1ncc2c1C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)CC2 ZINC000477988634 459070152 /nfs/dbraw/zinc/07/01/52/459070152.db2.gz HKWRPFJTJBGMOJ-NSHDSACASA-N 0 0 333.367 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594520365 459077796 /nfs/dbraw/zinc/07/77/96/459077796.db2.gz NOSFQQGZLSRCRI-YPMHNXCESA-N 0 0 336.285 3.324 10 5 EGBERN CCCCOc1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388241 459079277 /nfs/dbraw/zinc/07/92/77/459079277.db2.gz AGFTVZZTORJIHJ-UHFFFAOYSA-N 0 0 345.355 3.430 10 5 EGBERN O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4CCC[C@@H]5C[C@@H]54)no3)c1)OCCO2 ZINC000594537080 459082720 /nfs/dbraw/zinc/08/27/20/459082720.db2.gz PMXBIEQSWQFNTA-JLLWLGSASA-N 0 0 343.339 3.320 10 5 EGBERN C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594539590 459083991 /nfs/dbraw/zinc/08/39/91/459083991.db2.gz DYFPGWDROOBPQE-CKLLVWNQSA-N 0 0 332.400 3.333 10 5 EGBERN CC(C)Oc1nc(NC2CCC(OC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000594582785 459098163 /nfs/dbraw/zinc/09/81/63/459098163.db2.gz FSBHANRYGULOHK-UHFFFAOYSA-N 0 0 345.346 3.161 10 5 EGBERN CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCCCO1 ZINC000594598011 459102839 /nfs/dbraw/zinc/10/28/39/459102839.db2.gz FXHRGSGFTXMQID-LRDDRELGSA-N 0 0 333.388 3.239 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000520953073 459106369 /nfs/dbraw/zinc/10/63/69/459106369.db2.gz PNBUROVUPHDKAL-SUMWQHHRSA-N 0 0 342.399 3.186 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000590392926 459122439 /nfs/dbraw/zinc/12/24/39/459122439.db2.gz JRGKQSFBIKQSDJ-UHFFFAOYSA-N 0 0 331.372 3.182 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(F)(c3ccccc3F)C2)c1 ZINC000590442538 459130720 /nfs/dbraw/zinc/13/07/20/459130720.db2.gz HBZSXBXFXMITCT-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN Cc1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000590556531 459148358 /nfs/dbraw/zinc/14/83/58/459148358.db2.gz HMJDFGGTLPMVQI-SFHVURJKSA-N 0 0 338.363 3.450 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)CCN(C)C2=O ZINC000594744243 459149819 /nfs/dbraw/zinc/14/98/19/459149819.db2.gz WYFFMUWTOVZWRE-UHFFFAOYSA-N 0 0 325.368 3.143 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590583584 459153297 /nfs/dbraw/zinc/15/32/97/459153297.db2.gz ZJQIIPLUKCJQAS-APPZFPTMSA-N 0 0 331.777 3.304 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590583589 459153569 /nfs/dbraw/zinc/15/35/69/459153569.db2.gz ZJQIIPLUKCJQAS-VXNVDRBHSA-N 0 0 331.777 3.304 10 5 EGBERN CC[C@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000594864234 459163222 /nfs/dbraw/zinc/16/32/22/459163222.db2.gz TVVUUAQGFYCLFO-ZDUSSCGKSA-N 0 0 332.809 3.105 10 5 EGBERN CO[C@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CCCCC1 ZINC000594900102 459169887 /nfs/dbraw/zinc/16/98/87/459169887.db2.gz NJXSYWZIQXPZRM-OAHLLOKOSA-N 0 0 347.371 3.007 10 5 EGBERN C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000594925147 459179201 /nfs/dbraw/zinc/17/92/01/459179201.db2.gz LJEOCQZBCSCVMC-SECBINFHSA-N 0 0 328.294 3.198 10 5 EGBERN CC(C)CN(CC(C)C)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533796304 459268311 /nfs/dbraw/zinc/26/83/11/459268311.db2.gz FODPCCOQIGWGDW-UHFFFAOYSA-N 0 0 347.459 3.094 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C1CCC(F)CC1 ZINC000595359496 459284494 /nfs/dbraw/zinc/28/44/94/459284494.db2.gz OOMAPVRDHUWTMU-PNESKVBLSA-N 0 0 344.408 3.098 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N(CC(F)F)CC1CCC1 ZINC000534173736 459296988 /nfs/dbraw/zinc/29/69/88/459296988.db2.gz UIKYVDADTNEEMM-UHFFFAOYSA-N 0 0 341.358 3.214 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595480063 459317468 /nfs/dbraw/zinc/31/74/68/459317468.db2.gz HXRJDWMMSQHWBZ-QWHCGFSZSA-N 0 0 333.388 3.009 10 5 EGBERN C[C@@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595478566 459317829 /nfs/dbraw/zinc/31/78/29/459317829.db2.gz AKOVIILBWYVLHN-QMTHXVAHSA-N 0 0 327.331 3.390 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000595544193 459341419 /nfs/dbraw/zinc/34/14/19/459341419.db2.gz NDVPCYZMTOLVQO-KCQAQPDRSA-N 0 0 335.404 3.221 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC000591265448 459343565 /nfs/dbraw/zinc/34/35/65/459343565.db2.gz VDTLOOODJKIYOC-OAHLLOKOSA-N 0 0 341.415 3.500 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000595569274 459350990 /nfs/dbraw/zinc/35/09/90/459350990.db2.gz VAWOOCWAQYUITI-UHFFFAOYSA-N 0 0 343.383 3.320 10 5 EGBERN CC[C@H](NC(=O)NCCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595665439 459389046 /nfs/dbraw/zinc/38/90/46/459389046.db2.gz WYYWGJGOKYDSEN-MOQPWLNLSA-N 0 0 335.404 3.160 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000591531117 459397026 /nfs/dbraw/zinc/39/70/26/459397026.db2.gz CHKSUMFITSBDBK-NSHDSACASA-N 0 0 328.315 3.055 10 5 EGBERN COc1cc(CSCCOC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000540903371 459399631 /nfs/dbraw/zinc/39/96/31/459399631.db2.gz DOIGXSASOJBPTN-CYBMUJFWSA-N 0 0 327.402 3.032 10 5 EGBERN COC(=O)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])CC1CC1 ZINC000569127188 459401192 /nfs/dbraw/zinc/40/11/92/459401192.db2.gz AFGCQXCNKMHSEK-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN CC[C@@H](NC(=O)NCCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000595734624 459418966 /nfs/dbraw/zinc/41/89/66/459418966.db2.gz UQAMCJOQQSXXBK-QGZVFWFLSA-N 0 0 342.399 3.291 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000561192617 459429134 /nfs/dbraw/zinc/42/91/34/459429134.db2.gz SVCOGKXDMSNTDF-MEBBXXQBSA-N 0 0 341.367 3.430 10 5 EGBERN C[C@@]12COC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761647 459430108 /nfs/dbraw/zinc/43/01/08/459430108.db2.gz YZCZZRCDDGJFTR-SMDDNHRTSA-N 0 0 330.306 3.082 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000595761849 459430191 /nfs/dbraw/zinc/43/01/91/459430191.db2.gz XUKILLKYRHBPTB-KRWDZBQOSA-N 0 0 334.322 3.447 10 5 EGBERN CNC(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484788067 459432028 /nfs/dbraw/zinc/43/20/28/459432028.db2.gz HWTMZYKOWSAGOP-UHFFFAOYSA-N 0 0 349.431 3.489 10 5 EGBERN C[C@H](COCC(F)(F)F)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000569478763 459460331 /nfs/dbraw/zinc/46/03/31/459460331.db2.gz IDEXYOHAUMCVGL-SECBINFHSA-N 0 0 333.310 3.248 10 5 EGBERN C[C@@H](COCC(F)(F)F)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000569478764 459460232 /nfs/dbraw/zinc/46/02/32/459460232.db2.gz IDEXYOHAUMCVGL-VIFPVBQESA-N 0 0 333.310 3.248 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCOc2ccc(O)cc2C1 ZINC000595846170 459463150 /nfs/dbraw/zinc/46/31/50/459463150.db2.gz WCLOKDYSLHOFJP-UHFFFAOYSA-N 0 0 344.367 3.094 10 5 EGBERN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000595892953 459478092 /nfs/dbraw/zinc/47/80/92/459478092.db2.gz VMBYEQSHVHUBIB-FZMZJTMJSA-N 0 0 348.321 3.015 10 5 EGBERN COc1csc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000561849260 459486838 /nfs/dbraw/zinc/48/68/38/459486838.db2.gz SUUHXCYFJZCONR-UHFFFAOYSA-N 0 0 345.380 3.119 10 5 EGBERN CNc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000541766215 459489485 /nfs/dbraw/zinc/48/94/85/459489485.db2.gz ZBFDIWMKPTWDSI-QGZVFWFLSA-N 0 0 347.415 3.058 10 5 EGBERN CC(C)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@]1(O)CCOC1 ZINC000591986953 459505684 /nfs/dbraw/zinc/50/56/84/459505684.db2.gz FHXAQWZYGJPYLN-AWEZNQCLSA-N 0 0 349.214 3.491 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000591999303 459508614 /nfs/dbraw/zinc/50/86/14/459508614.db2.gz MSRSFBQDMOMOTG-AWEZNQCLSA-N 0 0 333.388 3.244 10 5 EGBERN CCC(CC)[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124429 459529195 /nfs/dbraw/zinc/52/91/95/459529195.db2.gz WMGOORPRDRGDCI-GFCCVEGCSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(NC2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596180059 459550676 /nfs/dbraw/zinc/55/06/76/459550676.db2.gz OROJXXYSUGDQMZ-IUCAKERBSA-N 0 0 342.779 3.403 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC(C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000596186903 459553883 /nfs/dbraw/zinc/55/38/83/459553883.db2.gz YCLBHMSLIHBIDP-UHFFFAOYSA-N 0 0 342.779 3.040 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000596187598 459554046 /nfs/dbraw/zinc/55/40/46/459554046.db2.gz QRNGEYRQYDOMBQ-IUCAKERBSA-N 0 0 330.743 3.219 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592250772 459560041 /nfs/dbraw/zinc/56/00/41/459560041.db2.gz WOMJPDQWXGSJRR-KLPPZKSPSA-N 0 0 337.376 3.071 10 5 EGBERN CC[C@@]1(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCOC1 ZINC000596221234 459564789 /nfs/dbraw/zinc/56/47/89/459564789.db2.gz DCBAUWDVMFGIIL-CQSZACIVSA-N 0 0 328.752 3.016 10 5 EGBERN COc1cc(NCc2ncnn2C(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596228083 459567831 /nfs/dbraw/zinc/56/78/31/459567831.db2.gz YCZIYIWOYMKIPR-UHFFFAOYSA-N 0 0 339.783 3.215 10 5 EGBERN COc1cc(NCc2cn(C(C)C)nn2)c(Cl)cc1[N+](=O)[O-] ZINC000596240353 459572326 /nfs/dbraw/zinc/57/23/26/459572326.db2.gz WTGUGLWNVRHHPW-UHFFFAOYSA-N 0 0 325.756 3.041 10 5 EGBERN O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(CO)c(F)cn3)C2)cc1 ZINC000596255833 459575951 /nfs/dbraw/zinc/57/59/51/459575951.db2.gz YRCZQEQNPZKADI-CYBMUJFWSA-N 0 0 331.347 3.005 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2(OC)CCCC2)ccc1[N+](=O)[O-] ZINC000596255169 459576096 /nfs/dbraw/zinc/57/60/96/459576096.db2.gz LMVNNMBOQUCABU-UHFFFAOYSA-N 0 0 342.779 3.406 10 5 EGBERN COc1cc(N2CCC[C@@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596260808 459577767 /nfs/dbraw/zinc/57/77/67/459577767.db2.gz MHYBHUJJIRJGGR-OAHLLOKOSA-N 0 0 326.780 3.264 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000596267023 459579956 /nfs/dbraw/zinc/57/99/56/459579956.db2.gz YFJMKHOVUBZIHF-BDAKNGLRSA-N 0 0 328.752 3.014 10 5 EGBERN O=c1c(Br)cc([N+](=O)[O-])cn1CC12CCC(CC1)C2 ZINC000596265798 459580312 /nfs/dbraw/zinc/58/03/12/459580312.db2.gz MLLQHUKCHQIVRN-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN CCOc1cc(NC(=O)N2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000527070118 459585468 /nfs/dbraw/zinc/58/54/68/459585468.db2.gz IIPFBCHSOZWPFC-GHMZBOCLSA-N 0 0 337.376 3.407 10 5 EGBERN CC[C@H](OCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596289649 459585929 /nfs/dbraw/zinc/58/59/29/459585929.db2.gz DSGHSVCSCZLFGU-KRWDZBQOSA-N 0 0 343.383 3.274 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596311857 459591916 /nfs/dbraw/zinc/59/19/16/459591916.db2.gz FOBOJGYUMCSZJM-CYBMUJFWSA-N 0 0 342.399 3.344 10 5 EGBERN COCC1(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCCC1 ZINC000596315613 459593586 /nfs/dbraw/zinc/59/35/86/459593586.db2.gz CIWHYAAHQLDWQK-UHFFFAOYSA-N 0 0 342.779 3.406 10 5 EGBERN CO[C@@H](CSCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000596333203 459599366 /nfs/dbraw/zinc/59/93/66/459599366.db2.gz FXUNOGPSHXETMF-BBRMVZONSA-N 0 0 341.429 3.148 10 5 EGBERN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2O1 ZINC000527202223 459606258 /nfs/dbraw/zinc/60/62/58/459606258.db2.gz KBICBIFOOCIHNF-INIZCTEOSA-N 0 0 329.312 3.140 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592463357 459606991 /nfs/dbraw/zinc/60/69/91/459606991.db2.gz OIIKXWAYAZDGGM-JGZJWPJOSA-N 0 0 325.340 3.202 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596367357 459609562 /nfs/dbraw/zinc/60/95/62/459609562.db2.gz GXDSEPUQJCJHNF-JVLSTEMRSA-N 0 0 328.796 3.226 10 5 EGBERN CCOc1cc(CSC[C@H](OC)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596391227 459619596 /nfs/dbraw/zinc/61/95/96/459619596.db2.gz VEWPLQHTQJVIQJ-CJNGLKHVSA-N 0 0 341.429 3.278 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000573108693 459627042 /nfs/dbraw/zinc/62/70/42/459627042.db2.gz BWIWZNVREXTYGN-UHFFFAOYSA-N 0 0 338.367 3.118 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000596429309 459634176 /nfs/dbraw/zinc/63/41/76/459634176.db2.gz DEUGABKMOODWEJ-JTQLQIEISA-N 0 0 334.401 3.363 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455183 459641659 /nfs/dbraw/zinc/64/16/59/459641659.db2.gz PUOKECKLZJSABF-DVOMOZLQSA-N 0 0 335.404 3.255 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@@](O)(C4CC4)C3)n2)cc1 ZINC000596462481 459644607 /nfs/dbraw/zinc/64/46/07/459644607.db2.gz KKBGHQGCWLDSEW-KRWDZBQOSA-N 0 0 345.424 3.460 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000596472397 459649495 /nfs/dbraw/zinc/64/94/95/459649495.db2.gz ACKCCAMPQYKNHZ-GXTWGEPZSA-N 0 0 335.404 3.103 10 5 EGBERN Cc1cc(Br)c(CNc2c([N+](=O)[O-])ncn2C)s1 ZINC000596479005 459650576 /nfs/dbraw/zinc/65/05/76/459650576.db2.gz RLFWTTHWLTULHN-UHFFFAOYSA-N 0 0 331.195 3.073 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](CCF)C2)c(Br)c1 ZINC000596481017 459651538 /nfs/dbraw/zinc/65/15/38/459651538.db2.gz RVBNSEMAAFVHAK-SECBINFHSA-N 0 0 332.173 3.328 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([C@H]4CCCCO4)C3)nc2c1 ZINC000596502026 459659066 /nfs/dbraw/zinc/65/90/66/459659066.db2.gz GAIZVPHSCMBGSK-MLGOLLRUSA-N 0 0 330.388 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3OC)CC2)c1 ZINC000592676102 459662408 /nfs/dbraw/zinc/66/24/08/459662408.db2.gz IYCVWJQESKIUGZ-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN Cc1ccc(C)c(OCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000543482736 459663429 /nfs/dbraw/zinc/66/34/29/459663429.db2.gz PAAIXUCZWIMZGA-UHFFFAOYSA-N 0 0 327.384 3.044 10 5 EGBERN C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000592679827 459663574 /nfs/dbraw/zinc/66/35/74/459663574.db2.gz BVANRDAMSPNIOI-GOSISDBHSA-N 0 0 343.358 3.366 10 5 EGBERN Cc1nn(CCC(=O)N[C@H](C2CCC2)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000592681961 459664238 /nfs/dbraw/zinc/66/42/38/459664238.db2.gz VZAORQXOGJHVLK-KRWDZBQOSA-N 0 0 348.447 3.273 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2ccccc2F)CCC1 ZINC000592690308 459667336 /nfs/dbraw/zinc/66/73/36/459667336.db2.gz NQPRIKKOBHQLBA-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN CC(C)(C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1)n1cc([N+](=O)[O-])cn1 ZINC000592696143 459669049 /nfs/dbraw/zinc/66/90/49/459669049.db2.gz SYKJCUHUZBPGNM-ZFWWWQNUSA-N 0 0 348.447 3.201 10 5 EGBERN CCOc1cccc(NCC2(CC(N)=O)CCCCC2)c1[N+](=O)[O-] ZINC000596554311 459674448 /nfs/dbraw/zinc/67/44/48/459674448.db2.gz PURYTYUUMDZBGX-UHFFFAOYSA-N 0 0 335.404 3.231 10 5 EGBERN CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCc2ncsc2C1 ZINC000592734549 459678788 /nfs/dbraw/zinc/67/87/88/459678788.db2.gz JJPMDUBIJFMHBT-NSHDSACASA-N 0 0 349.412 3.444 10 5 EGBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@](C)(C(F)F)O1 ZINC000596573861 459682536 /nfs/dbraw/zinc/68/25/36/459682536.db2.gz YRNIGTOEVHOHCW-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1ccn([C@@H](C)Cc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)n1 ZINC000596592825 459689147 /nfs/dbraw/zinc/68/91/47/459689147.db2.gz SYKFRLRLJUMOFO-ZDUSSCGKSA-N 0 0 341.371 3.186 10 5 EGBERN Cc1cc(C)n(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC000573559903 459696986 /nfs/dbraw/zinc/69/69/86/459696986.db2.gz YYSLXFVRAADGKW-UHFFFAOYSA-N 0 0 329.404 3.184 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)Nc2cccc(C)c2C)n1 ZINC000543792017 459699900 /nfs/dbraw/zinc/69/99/00/459699900.db2.gz SUNDSGQWSLVIPN-UHFFFAOYSA-N 0 0 342.399 3.298 10 5 EGBERN Cc1nc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)[nH]c1C ZINC000596621428 459701950 /nfs/dbraw/zinc/70/19/50/459701950.db2.gz NVPTUKDLVAXBLH-UHFFFAOYSA-N 0 0 345.334 3.450 10 5 EGBERN C[C@H](C(=O)N1CC(C)(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000592841645 459702493 /nfs/dbraw/zinc/70/24/93/459702493.db2.gz VIICJYCVMNSILI-VIFPVBQESA-N 0 0 330.306 3.341 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000596624997 459703525 /nfs/dbraw/zinc/70/35/25/459703525.db2.gz MNPNYLQLWMMOOS-LLVKDONJSA-N 0 0 329.303 3.016 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592851027 459703760 /nfs/dbraw/zinc/70/37/60/459703760.db2.gz AQPILOSYWVHCMK-AWEZNQCLSA-N 0 0 348.321 3.285 10 5 EGBERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000584303382 459706485 /nfs/dbraw/zinc/70/64/85/459706485.db2.gz YRIBBYQQMFAHQD-OAHLLOKOSA-N 0 0 341.367 3.068 10 5 EGBERN Cc1c(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000596635571 459707417 /nfs/dbraw/zinc/70/74/17/459707417.db2.gz NSKOVPLAXIQROO-BXKDBHETSA-N 0 0 347.293 3.087 10 5 EGBERN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000592875593 459709773 /nfs/dbraw/zinc/70/97/73/459709773.db2.gz ZHUBFGVBIAZSSB-QWHCGFSZSA-N 0 0 331.416 3.465 10 5 EGBERN Cc1ccc(NC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000596639614 459710726 /nfs/dbraw/zinc/71/07/26/459710726.db2.gz XKSQGLFMQUMZTB-BONVTDFDSA-N 0 0 343.330 3.180 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC12CC=CC2 ZINC000592899344 459715816 /nfs/dbraw/zinc/71/58/16/459715816.db2.gz DMFODTAZZHVCKZ-MRXNPFEDSA-N 0 0 344.367 3.140 10 5 EGBERN O=C([O-])[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000596658567 459717652 /nfs/dbraw/zinc/71/76/52/459717652.db2.gz UNJGPNOIPZOXAQ-MRXNPFEDSA-N 0 0 344.367 3.445 10 5 EGBERN CC(C)[C@@H]1N(C(=O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592903654 459718355 /nfs/dbraw/zinc/71/83/55/459718355.db2.gz XCJZJEGNGXQLPI-KRWDZBQOSA-N 0 0 330.384 3.177 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH][nH]c(C(C)C)c2C)c1 ZINC000592950354 459722844 /nfs/dbraw/zinc/72/28/44/459722844.db2.gz OAQAQGDVKIXWJN-UHFFFAOYSA-N 0 0 334.401 3.146 10 5 EGBERN Cc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]c1C(C)C ZINC000592950106 459723054 /nfs/dbraw/zinc/72/30/54/459723054.db2.gz KYPFMHOVJHMDOB-UHFFFAOYSA-N 0 0 327.344 3.483 10 5 EGBERN CC[C@H](CC(F)F)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573778522 459732287 /nfs/dbraw/zinc/73/22/87/459732287.db2.gz WEPVBZGJAUFHDI-SNVBAGLBSA-N 0 0 339.342 3.416 10 5 EGBERN O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593006531 459737483 /nfs/dbraw/zinc/73/74/83/459737483.db2.gz GBIUKAZMQSQLTI-HZPDHXFCSA-N 0 0 343.427 3.070 10 5 EGBERN Cc1cc(NC2CC([NH+]3CCCCC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563206852 459738969 /nfs/dbraw/zinc/73/89/69/459738969.db2.gz JCTSPEKQACNVMI-UHFFFAOYSA-N 0 0 333.388 3.030 10 5 EGBERN O=C([C@H]1C[C@H]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593032018 459747693 /nfs/dbraw/zinc/74/76/93/459747693.db2.gz QBPOPZDSSFREGX-ROUUACIJSA-N 0 0 343.427 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596788712 459762960 /nfs/dbraw/zinc/76/29/60/459762960.db2.gz VJUDKOXKMZCSFB-KRWDZBQOSA-N 0 0 333.388 3.244 10 5 EGBERN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCO1 ZINC000596801492 459766195 /nfs/dbraw/zinc/76/61/95/459766195.db2.gz QQUVBKHNBKOONO-JOYOIKCWSA-N 0 0 344.314 3.340 10 5 EGBERN CCC1(NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CCC1 ZINC000593080736 459766909 /nfs/dbraw/zinc/76/69/09/459766909.db2.gz CVEFBYUPFRSDIO-UHFFFAOYSA-N 0 0 342.399 3.211 10 5 EGBERN COc1cc2c(cc1OC)[C@H](C[N+](=O)[O-])N(Cc1ccccc1)CC2 ZINC000584606136 459775796 /nfs/dbraw/zinc/77/57/96/459775796.db2.gz GNDPILCPDHSZEJ-KRWDZBQOSA-N 0 0 342.395 3.080 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000596841007 459776273 /nfs/dbraw/zinc/77/62/73/459776273.db2.gz CKGUAGOGAAJXAA-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596865842 459781618 /nfs/dbraw/zinc/78/16/18/459781618.db2.gz JBVAKUCTTHNQLA-ZDUSSCGKSA-N 0 0 334.420 3.206 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596865841 459781784 /nfs/dbraw/zinc/78/17/84/459781784.db2.gz JBVAKUCTTHNQLA-CYBMUJFWSA-N 0 0 334.420 3.206 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cnccc1C ZINC000596890054 459788458 /nfs/dbraw/zinc/78/84/58/459788458.db2.gz INNIHHQBXMUNCS-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN CSc1cccnc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000593149045 459788992 /nfs/dbraw/zinc/78/89/92/459788992.db2.gz DJBCLCRVJVQEFY-UHFFFAOYSA-N 0 0 331.397 3.026 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000544865432 459789216 /nfs/dbraw/zinc/78/92/16/459789216.db2.gz QICUTZUBIOFCAG-UHFFFAOYSA-N 0 0 347.459 3.372 10 5 EGBERN CCn1ccc(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000596899495 459790449 /nfs/dbraw/zinc/79/04/49/459790449.db2.gz JNYXCQKODKZEIK-UHFFFAOYSA-N 0 0 331.376 3.175 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593181664 459799868 /nfs/dbraw/zinc/79/98/68/459799868.db2.gz BYXYYKGQZPZTSO-CQSZACIVSA-N 0 0 325.315 3.475 10 5 EGBERN Cc1cnn(C)c1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000596977592 459809124 /nfs/dbraw/zinc/80/91/24/459809124.db2.gz OXMKNDFBAVAVCB-AWEZNQCLSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593219526 459811038 /nfs/dbraw/zinc/81/10/38/459811038.db2.gz SYHWAGMPDYYOEM-SFHVURJKSA-N 0 0 343.358 3.241 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593221961 459811998 /nfs/dbraw/zinc/81/19/98/459811998.db2.gz MFFAWWYUCZWZCY-IUODEOHRSA-N 0 0 348.399 3.238 10 5 EGBERN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCCOC1 ZINC000593296807 459832323 /nfs/dbraw/zinc/83/23/23/459832323.db2.gz ULRSCZWIDNCAMB-CYBMUJFWSA-N 0 0 334.397 3.451 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000593297118 459833200 /nfs/dbraw/zinc/83/32/00/459833200.db2.gz XODFZNAVJIMLAR-LBPRGKRZSA-N 0 0 346.305 3.255 10 5 EGBERN CC(C)(C(=O)Nc1cc(C(F)F)ccc1F)n1cc([N+](=O)[O-])cn1 ZINC000593299353 459833483 /nfs/dbraw/zinc/83/34/83/459833483.db2.gz PNSXHOWDJWULJL-UHFFFAOYSA-N 0 0 342.277 3.242 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C(C)C)C1 ZINC000585701070 459835068 /nfs/dbraw/zinc/83/50/68/459835068.db2.gz BQGQLILDYOFNJL-UHFFFAOYSA-N 0 0 341.205 3.394 10 5 EGBERN CO[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)CC(C)C ZINC000597090182 459835847 /nfs/dbraw/zinc/83/58/47/459835847.db2.gz IUCZFYLDRPDEGG-JTQLQIEISA-N 0 0 344.799 3.013 10 5 EGBERN C[C@@H]1CCSCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098076 459836417 /nfs/dbraw/zinc/83/64/17/459836417.db2.gz RKGZZCSIWDAVPQ-MRVPVSSYSA-N 0 0 344.824 3.190 10 5 EGBERN C[C@@]1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCCS1 ZINC000597104628 459837121 /nfs/dbraw/zinc/83/71/21/459837121.db2.gz SQEWOASZELMPCJ-ZDUSSCGKSA-N 0 0 344.824 3.238 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000593316009 459838729 /nfs/dbraw/zinc/83/87/29/459838729.db2.gz IKLJYQRXBTVWQN-LLVKDONJSA-N 0 0 330.340 3.125 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)OCC23CCC3)c1 ZINC000593316489 459839139 /nfs/dbraw/zinc/83/91/39/459839139.db2.gz JVPOGDLIKOGYCC-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN Cn1c(C(=O)N(Cc2ccccc2F)CC2CC2)ccc1[N+](=O)[O-] ZINC000598251189 459840302 /nfs/dbraw/zinc/84/03/02/459840302.db2.gz GNFPOXKUXMFISI-UHFFFAOYSA-N 0 0 331.347 3.125 10 5 EGBERN CC[C@@](C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000598250709 459840505 /nfs/dbraw/zinc/84/05/05/459840505.db2.gz NWYGIXFOTDBUCS-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C12CCC2 ZINC000598298187 459853118 /nfs/dbraw/zinc/85/31/18/459853118.db2.gz ZBVJVOAPSCGXKA-ZIAGYGMSSA-N 0 0 347.415 3.033 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598306408 459856993 /nfs/dbraw/zinc/85/69/93/459856993.db2.gz NXXXNBSAMHKBLQ-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598308215 459858136 /nfs/dbraw/zinc/85/81/36/459858136.db2.gz MNBZKLAMYSPTIK-JKSUJKDBSA-N 0 0 326.352 3.198 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593355469 459860556 /nfs/dbraw/zinc/86/05/56/459860556.db2.gz YGAAKNGWZROVTM-OAHLLOKOSA-N 0 0 340.326 3.253 10 5 EGBERN CCOc1cccc(N2CCN(CC(F)F)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000545869978 459864980 /nfs/dbraw/zinc/86/49/80/459864980.db2.gz JMOPZZOBNBGSEI-LBPRGKRZSA-N 0 0 343.374 3.159 10 5 EGBERN COCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC000593368244 459868365 /nfs/dbraw/zinc/86/83/65/459868365.db2.gz BGCNFUXDDACQBU-UHFFFAOYSA-N 0 0 345.355 3.176 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000598348068 459874436 /nfs/dbraw/zinc/87/44/36/459874436.db2.gz IIXGOOALOCTXRI-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598350286 459875414 /nfs/dbraw/zinc/87/54/14/459875414.db2.gz MAJGIWDTLCZZNH-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN CCOc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598351745 459876188 /nfs/dbraw/zinc/87/61/88/459876188.db2.gz NGEUCAGOPOIBBG-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598354923 459877161 /nfs/dbraw/zinc/87/71/61/459877161.db2.gz UDMWFVYMWRZGJQ-LBPRGKRZSA-N 0 0 343.383 3.250 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598354631 459877325 /nfs/dbraw/zinc/87/73/25/459877325.db2.gz YAFVRYOGASZOFP-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN CCc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000598398628 459888674 /nfs/dbraw/zinc/88/86/74/459888674.db2.gz FXRAHPMYTMPTCF-UHFFFAOYSA-N 0 0 329.356 3.165 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000598399543 459890012 /nfs/dbraw/zinc/89/00/12/459890012.db2.gz AENIDZLJBJMGTD-CQSZACIVSA-N 0 0 349.293 3.337 10 5 EGBERN Nc1cc(N[C@@H]2CCCOc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000587433852 459892496 /nfs/dbraw/zinc/89/24/96/459892496.db2.gz BWWBJVRHKZYZLW-OAHLLOKOSA-N 0 0 347.346 3.134 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608973883 459897651 /nfs/dbraw/zinc/89/76/51/459897651.db2.gz UOHCNCKKXAQTAQ-DGCLKSJQSA-N 0 0 334.173 3.142 10 5 EGBERN C[C@@]1(c2ccccc2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587985477 459897845 /nfs/dbraw/zinc/89/78/45/459897845.db2.gz IFYGCEIWHUXSGN-QAPCUYQASA-N 0 0 336.351 3.386 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000608972537 459898079 /nfs/dbraw/zinc/89/80/79/459898079.db2.gz UFXXQPPFAINMLM-UHFFFAOYSA-N 0 0 341.396 3.365 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000593483458 459902479 /nfs/dbraw/zinc/90/24/79/459902479.db2.gz WYJRNYPDMSKHDD-QAPCUYQASA-N 0 0 327.384 3.352 10 5 EGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068902 459908559 /nfs/dbraw/zinc/90/85/59/459908559.db2.gz MXORYNMNMJBCBH-OCBAZWNDSA-N 0 0 325.368 3.003 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1C[C@H]1C(F)(F)F ZINC000602381206 459909133 /nfs/dbraw/zinc/90/91/33/459909133.db2.gz FUPAEKLAPCIVBC-PSASIEDQSA-N 0 0 325.246 3.280 10 5 EGBERN CSCc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588079910 459909353 /nfs/dbraw/zinc/90/93/53/459909353.db2.gz MYVYUAYIARTZRM-UHFFFAOYSA-N 0 0 333.413 3.144 10 5 EGBERN COC(=O)c1cc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(C)o1 ZINC000609143879 459909777 /nfs/dbraw/zinc/90/97/77/459909777.db2.gz XTOVHJPVGZAOAN-UHFFFAOYSA-N 0 0 341.323 3.195 10 5 EGBERN Cc1cccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)c1[N+](=O)[O-] ZINC000598494973 459917187 /nfs/dbraw/zinc/91/71/87/459917187.db2.gz KFJFUCVHKFMDKM-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000598506317 459924764 /nfs/dbraw/zinc/92/47/64/459924764.db2.gz DWPKTOUOFYMFGB-ZYHUDNBSSA-N 0 0 346.305 3.085 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588180638 459927801 /nfs/dbraw/zinc/92/78/01/459927801.db2.gz HIOWDGLNVORJQH-CQSZACIVSA-N 0 0 339.342 3.113 10 5 EGBERN C[C@H](O)[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598538364 459933176 /nfs/dbraw/zinc/93/31/76/459933176.db2.gz BHMYDEFHWRJHDZ-SUMWQHHRSA-N 0 0 342.395 3.111 10 5 EGBERN COCC1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000598550512 459934698 /nfs/dbraw/zinc/93/46/98/459934698.db2.gz JBUOTVLTSXWDGP-UHFFFAOYSA-N 0 0 345.399 3.084 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000598553729 459935282 /nfs/dbraw/zinc/93/52/82/459935282.db2.gz AZCDSCGEADQDBH-UHFFFAOYSA-N 0 0 338.363 3.121 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232729 459935371 /nfs/dbraw/zinc/93/53/71/459935371.db2.gz ZMYVIDLPGGCFDB-ZIAGYGMSSA-N 0 0 336.342 3.195 10 5 EGBERN C[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597407240 459942725 /nfs/dbraw/zinc/94/27/25/459942725.db2.gz ALAYDSQLDNTOSX-CYBMUJFWSA-N 0 0 341.415 3.500 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598574823 459945965 /nfs/dbraw/zinc/94/59/65/459945965.db2.gz RHAULIGMTXAPKL-AWEZNQCLSA-N 0 0 329.381 3.419 10 5 EGBERN CO[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000597419602 459946886 /nfs/dbraw/zinc/94/68/86/459946886.db2.gz FBELFVNWMNPKFV-KRWDZBQOSA-N 0 0 332.400 3.291 10 5 EGBERN CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000598583363 459952359 /nfs/dbraw/zinc/95/23/59/459952359.db2.gz YHDSSMYEOYCQIW-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN CC(C)c1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000597477579 459968292 /nfs/dbraw/zinc/96/82/92/459968292.db2.gz MEGCIEUVIMIIEV-UHFFFAOYSA-N 0 0 325.368 3.312 10 5 EGBERN COC(=O)c1ccnc(NC2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000598633962 459970859 /nfs/dbraw/zinc/97/08/59/459970859.db2.gz KSAVQPSRDBZTQY-UHFFFAOYSA-N 0 0 341.314 3.156 10 5 EGBERN O=[N+]([O-])c1ncccc1NCc1cccc(COC2CCOCC2)c1 ZINC000609514633 459973050 /nfs/dbraw/zinc/97/30/50/459973050.db2.gz SBBKDEPNWPUQLW-UHFFFAOYSA-N 0 0 343.383 3.298 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC23CCCC3)cc1SC ZINC000593756856 459975666 /nfs/dbraw/zinc/97/56/66/459975666.db2.gz HILCZFVZFAOUPS-UHFFFAOYSA-N 0 0 336.413 3.484 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000593759559 459976364 /nfs/dbraw/zinc/97/63/64/459976364.db2.gz BACOPNXJZKMUTG-AWEZNQCLSA-N 0 0 340.383 3.316 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN(C)Cc1c(C)cc(C)nc1OC ZINC000598650262 459977702 /nfs/dbraw/zinc/97/77/02/459977702.db2.gz UCUDXKAPRBULFN-UHFFFAOYSA-N 0 0 345.399 3.256 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000588757541 459978862 /nfs/dbraw/zinc/97/88/62/459978862.db2.gz YYNOOMGYVCJCAY-CQSZACIVSA-N 0 0 339.342 3.457 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598654154 459980285 /nfs/dbraw/zinc/98/02/85/459980285.db2.gz NIUFHROZKDWFAW-JQWIXIFHSA-N 0 0 327.331 3.309 10 5 EGBERN Cc1ccc(COCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000598660706 459983330 /nfs/dbraw/zinc/98/33/30/459983330.db2.gz CAFSYMDZSYLBDG-UHFFFAOYSA-N 0 0 328.368 3.078 10 5 EGBERN CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588861383 459994280 /nfs/dbraw/zinc/99/42/80/459994280.db2.gz PGKOIIDSWNXKSZ-PHIMTYICSA-N 0 0 347.337 3.227 10 5 EGBERN C[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588906908 460000772 /nfs/dbraw/zinc/00/07/72/460000772.db2.gz HKUGYTCVDNSSKD-LBPRGKRZSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1ccc(COCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598729120 460008477 /nfs/dbraw/zinc/00/84/77/460008477.db2.gz ATIQYVXNMHPOPQ-UHFFFAOYSA-N 0 0 342.395 3.121 10 5 EGBERN C[C@@H](Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609722063 460010805 /nfs/dbraw/zinc/01/08/05/460010805.db2.gz BRFIAMGAIOTRGF-LBPRGKRZSA-N 0 0 325.324 3.215 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000609756851 460013389 /nfs/dbraw/zinc/01/33/89/460013389.db2.gz YJIYNGWGUBUHJH-GFCCVEGCSA-N 0 0 330.409 3.500 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCc2ccccc2N1 ZINC000593915257 460015321 /nfs/dbraw/zinc/01/53/21/460015321.db2.gz HNHNNVHFHCKUFH-INIZCTEOSA-N 0 0 339.395 3.071 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCc2ccccc2N1 ZINC000593915259 460015554 /nfs/dbraw/zinc/01/55/54/460015554.db2.gz HNHNNVHFHCKUFH-MRXNPFEDSA-N 0 0 339.395 3.071 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597659122 460019791 /nfs/dbraw/zinc/01/97/91/460019791.db2.gz LUMDQIWNLARIJE-DFBGVHRSSA-N 0 0 327.384 3.171 10 5 EGBERN CNc1ccc(C(=O)Nc2nccc(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000598761893 460024086 /nfs/dbraw/zinc/02/40/86/460024086.db2.gz CSWXANOLOKKVEQ-UHFFFAOYSA-N 0 0 326.356 3.470 10 5 EGBERN Cc1ccnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C1CC1 ZINC000598764873 460025214 /nfs/dbraw/zinc/02/52/14/460025214.db2.gz RERMJUHVTLLMQT-UHFFFAOYSA-N 0 0 329.360 3.274 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2C1 ZINC000597681039 460026004 /nfs/dbraw/zinc/02/60/04/460026004.db2.gz UTABRQVIYWMVJI-UHFFFAOYSA-N 0 0 346.412 3.366 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000597688870 460028669 /nfs/dbraw/zinc/02/86/69/460028669.db2.gz PNCWZCAZDRCWDL-ZDUSSCGKSA-N 0 0 330.388 3.102 10 5 EGBERN CC(C)(NC(=O)c1onc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000597688317 460029003 /nfs/dbraw/zinc/02/90/03/460029003.db2.gz LDMKXZRVMOJDMH-UHFFFAOYSA-N 0 0 329.356 3.127 10 5 EGBERN COC(=O)C1(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC2(CCC2)C1 ZINC000598802123 460040460 /nfs/dbraw/zinc/04/04/60/460040460.db2.gz CWXDYOUBMLFUSW-UHFFFAOYSA-N 0 0 346.383 3.274 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187272 460047073 /nfs/dbraw/zinc/04/70/73/460047073.db2.gz UVJBAGSAFLXCJL-CAMLPZEUSA-N 0 0 330.306 3.260 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)C(F)(F)F)c1 ZINC000597756833 460047940 /nfs/dbraw/zinc/04/79/40/460047940.db2.gz FLNPPPNHAMTUQM-UHFFFAOYSA-N 0 0 334.294 3.129 10 5 EGBERN Cc1nc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)ccc1[N+](=O)[O-] ZINC000598823178 460051369 /nfs/dbraw/zinc/05/13/69/460051369.db2.gz NDVFEAMEECMADY-FZMZJTMJSA-N 0 0 325.315 3.452 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000618585256 460075347 /nfs/dbraw/zinc/07/53/47/460075347.db2.gz VMTSDEIFYAAGQS-CHWSQXEVSA-N 0 0 330.388 3.114 10 5 EGBERN C[C@@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1(F)F ZINC000618595957 460081135 /nfs/dbraw/zinc/08/11/35/460081135.db2.gz ROKWTZXBTGOGSN-SFHVURJKSA-N 0 0 342.345 3.456 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598883041 460082511 /nfs/dbraw/zinc/08/25/11/460082511.db2.gz QJNNYVKDPNBMHN-GFCCVEGCSA-N 0 0 327.331 3.048 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598883139 460082567 /nfs/dbraw/zinc/08/25/67/460082567.db2.gz SFNQUCJORPDUBD-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000598882787 460083056 /nfs/dbraw/zinc/08/30/56/460083056.db2.gz QHUCIBKHBJMDKX-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597866648 460086482 /nfs/dbraw/zinc/08/64/82/460086482.db2.gz YBJGDRALXATACB-NEPJUHHUSA-N 0 0 331.347 3.152 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594073991 460088876 /nfs/dbraw/zinc/08/88/76/460088876.db2.gz VQEBUPULUVKZOW-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1ccc([C@H](C)N[C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938611 460096279 /nfs/dbraw/zinc/09/62/79/460096279.db2.gz BUIAMSNBHOHLDM-UGSOOPFHSA-N 0 0 339.395 3.267 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC2 ZINC000598939434 460096569 /nfs/dbraw/zinc/09/65/69/460096569.db2.gz HONXSRQHIZLDOA-UHFFFAOYSA-N 0 0 349.293 3.103 10 5 EGBERN Cc1c([C@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943783 460097995 /nfs/dbraw/zinc/09/79/95/460097995.db2.gz YCRVDMKJGSRKRE-SCLBCKFNSA-N 0 0 339.395 3.267 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000589518582 460098935 /nfs/dbraw/zinc/09/89/35/460098935.db2.gz WUBDNYQRNQYOOZ-MRXNPFEDSA-N 0 0 341.367 3.114 10 5 EGBERN Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH]1 ZINC000610305639 460114254 /nfs/dbraw/zinc/11/42/54/460114254.db2.gz PMHRENXOQZNFJE-UHFFFAOYSA-N 0 0 343.383 3.223 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccco2)CC1 ZINC000597926178 460114315 /nfs/dbraw/zinc/11/43/15/460114315.db2.gz RDVCCNFNERGHFT-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])o2)CO1 ZINC000597931739 460116709 /nfs/dbraw/zinc/11/67/09/460116709.db2.gz VSUQXOIECWLRTF-AWEZNQCLSA-N 0 0 344.367 3.398 10 5 EGBERN CCC(F)(F)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599004506 460124315 /nfs/dbraw/zinc/12/43/15/460124315.db2.gz RSWKLZNCBLOIHE-UHFFFAOYSA-N 0 0 329.347 3.262 10 5 EGBERN Cc1cc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCOCC2)on1 ZINC000599019824 460128628 /nfs/dbraw/zinc/12/86/28/460128628.db2.gz HZWXGXBOVWGAHA-GQCTYLIASA-N 0 0 343.383 3.200 10 5 EGBERN Cc1nc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)sc1C ZINC000618692550 460129099 /nfs/dbraw/zinc/12/90/99/460129099.db2.gz TUCJYKWGAIFZDN-UHFFFAOYSA-N 0 0 342.380 3.199 10 5 EGBERN CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594177436 460138712 /nfs/dbraw/zinc/13/87/12/460138712.db2.gz QKENWBVTPGVWJR-AAEUAGOBSA-N 0 0 326.780 3.326 10 5 EGBERN CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594184456 460139810 /nfs/dbraw/zinc/13/98/10/460139810.db2.gz XEUAHLKSLVVFBB-ZFWWWQNUSA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594186251 460140354 /nfs/dbraw/zinc/14/03/54/460140354.db2.gz NFZAEHVZWPDPEU-HUUCEWRRSA-N 0 0 338.429 3.151 10 5 EGBERN CCc1ccc(C(=O)N(CC(=O)OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000598004928 460143715 /nfs/dbraw/zinc/14/37/15/460143715.db2.gz QCCFUFRERJZWMX-UHFFFAOYSA-N 0 0 348.399 3.105 10 5 EGBERN COc1nc(C)cc(C)c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000589861102 460152346 /nfs/dbraw/zinc/15/23/46/460152346.db2.gz PPLGQOHOGGRDRI-UHFFFAOYSA-N 0 0 338.367 3.197 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594211989 460154433 /nfs/dbraw/zinc/15/44/33/460154433.db2.gz KCRUPAKEPNEOPC-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000599082891 460155189 /nfs/dbraw/zinc/15/51/89/460155189.db2.gz DSLMVRFHJZEOOO-CQSZACIVSA-N 0 0 328.368 3.125 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(F)(c3ccccc3F)C2)c(Cl)c1 ZINC000589873457 460155492 /nfs/dbraw/zinc/15/54/92/460155492.db2.gz NUPKXOCDYDNGHP-UHFFFAOYSA-N 0 0 325.702 3.467 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000598060802 460157283 /nfs/dbraw/zinc/15/72/83/460157283.db2.gz GJDOPHKEPVNZLO-UHFFFAOYSA-N 0 0 332.400 3.100 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000599117788 460165322 /nfs/dbraw/zinc/16/53/22/460165322.db2.gz RCTYUSCJMMRFES-LBPRGKRZSA-N 0 0 330.266 3.015 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599118950 460165982 /nfs/dbraw/zinc/16/59/82/460165982.db2.gz NAIGHEJOSBCALV-OWCLPIDISA-N 0 0 331.416 3.215 10 5 EGBERN CCCc1cncc(Oc2nccc(C(=O)OCC)c2[N+](=O)[O-])c1 ZINC000599135350 460171158 /nfs/dbraw/zinc/17/11/58/460171158.db2.gz JXHIMZWUANJZJP-UHFFFAOYSA-N 0 0 331.328 3.306 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCc2ccccc2CC1 ZINC000599138618 460172702 /nfs/dbraw/zinc/17/27/02/460172702.db2.gz HHRXKZCLYCJENZ-UHFFFAOYSA-N 0 0 338.407 3.449 10 5 EGBERN C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610528768 460176510 /nfs/dbraw/zinc/17/65/10/460176510.db2.gz NVZDWAJDOZUOJE-STQMWFEESA-N 0 0 328.372 3.154 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594282730 460179803 /nfs/dbraw/zinc/17/98/03/460179803.db2.gz KWFWSQNUOQGSKO-JKSUJKDBSA-N 0 0 349.431 3.477 10 5 EGBERN CC(C)(C)Oc1cc(N2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599168653 460185471 /nfs/dbraw/zinc/18/54/71/460185471.db2.gz IBGOGSFVKSBEQW-ZDUSSCGKSA-N 0 0 326.368 3.337 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598140920 460186258 /nfs/dbraw/zinc/18/62/58/460186258.db2.gz YXLNOUOLOXXPKP-MRXNPFEDSA-N 0 0 342.351 3.182 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C3(c4cccc(F)c4)CC3)no2)n1 ZINC000599174218 460187696 /nfs/dbraw/zinc/18/76/96/460187696.db2.gz MXAKNYCMVRQZCA-UHFFFAOYSA-N 0 0 343.318 3.080 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000599181420 460190497 /nfs/dbraw/zinc/19/04/97/460190497.db2.gz AGAYBCLUEBPIEY-SNVBAGLBSA-N 0 0 343.387 3.333 10 5 EGBERN COc1cc(N2CCOc3cc(F)ccc3C2)c([N+](=O)[O-])cc1F ZINC000599201782 460197101 /nfs/dbraw/zinc/19/71/01/460197101.db2.gz OAEQLRGBRYSXPT-UHFFFAOYSA-N 0 0 336.294 3.281 10 5 EGBERN COc1cc(OCc2nc(C3(C)CCCC3)no2)ccc1[N+](=O)[O-] ZINC000599197468 460197416 /nfs/dbraw/zinc/19/74/16/460197416.db2.gz HOFCSIJNNRVNKK-UHFFFAOYSA-N 0 0 333.344 3.397 10 5 EGBERN O=C1[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000599205376 460198682 /nfs/dbraw/zinc/19/86/82/460198682.db2.gz FQLJESMQHNVZEN-GFCCVEGCSA-N 0 0 343.305 3.179 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c(C2CC2)cnn1C ZINC000598212095 460206347 /nfs/dbraw/zinc/20/63/47/460206347.db2.gz ZEZDIXVHARIBLP-UHFFFAOYSA-N 0 0 348.790 3.098 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000598213506 460206624 /nfs/dbraw/zinc/20/66/24/460206624.db2.gz BWZJIIZOFPAQBP-ONGXEEELSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000598214800 460207260 /nfs/dbraw/zinc/20/72/60/460207260.db2.gz VMIRORUVSZJORO-NXEZZACHSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000598215716 460207627 /nfs/dbraw/zinc/20/76/27/460207627.db2.gz XZHMAXRYQNHZMX-DGCLKSJQSA-N 0 0 338.379 3.085 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CC1(F)F ZINC000598219590 460209657 /nfs/dbraw/zinc/20/96/57/460209657.db2.gz SDHMZKNDNOLVKK-SDBXPKJASA-N 0 0 348.733 3.177 10 5 EGBERN COc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C2CC2)cc1Cl ZINC000594414195 460210383 /nfs/dbraw/zinc/21/03/83/460210383.db2.gz HZSAKNJTXMMXOI-UHFFFAOYSA-N 0 0 336.735 3.110 10 5 EGBERN CCOc1cccc(CCNc2ccc([N+](=O)[O-])c(OCC)c2)n1 ZINC000610755577 460232149 /nfs/dbraw/zinc/23/21/49/460232149.db2.gz ZEYJPWVZDOERBH-UHFFFAOYSA-N 0 0 331.372 3.442 10 5 EGBERN COc1cccc(CN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000610771418 460234293 /nfs/dbraw/zinc/23/42/93/460234293.db2.gz HCLQWDWWBVRWJL-UHFFFAOYSA-N 0 0 343.383 3.297 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000610865411 460251754 /nfs/dbraw/zinc/25/17/54/460251754.db2.gz JSLYCAKVAWUZDD-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1cc(CC2CN(c3ccc([N+](=O)[O-])s3)C2)cc(OC)c1 ZINC000610892402 460257523 /nfs/dbraw/zinc/25/75/23/460257523.db2.gz QGAOUQCPLFULCX-UHFFFAOYSA-N 0 0 334.397 3.352 10 5 EGBERN Cc1nccc([C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000610929201 460262356 /nfs/dbraw/zinc/26/23/56/460262356.db2.gz AUZQFMMBXKVTCY-NSHDSACASA-N 0 0 333.779 3.126 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000599508777 460264774 /nfs/dbraw/zinc/26/47/74/460264774.db2.gz YLOMYYYSWWBWQV-UHFFFAOYSA-N 0 0 338.429 3.166 10 5 EGBERN C[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000603264968 460274107 /nfs/dbraw/zinc/27/41/07/460274107.db2.gz CRIOLIAKLFBIMT-ZDUSSCGKSA-N 0 0 325.368 3.441 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599687346 460311031 /nfs/dbraw/zinc/31/10/31/460311031.db2.gz BHIAMHQSJBAFAF-PTEHBNRSSA-N 0 0 340.807 3.410 10 5 EGBERN CCOCCN(CC)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830861 460343674 /nfs/dbraw/zinc/34/36/74/460343674.db2.gz XKANGJUDUABDAF-UHFFFAOYSA-N 0 0 332.360 3.033 10 5 EGBERN COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830987 460343967 /nfs/dbraw/zinc/34/39/67/460343967.db2.gz HVWAEIGBTRWVJK-LLVKDONJSA-N 0 0 346.387 3.468 10 5 EGBERN CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)C1 ZINC000599836217 460345447 /nfs/dbraw/zinc/34/54/47/460345447.db2.gz QBPFTVAKYVZFNG-VXGBXAGGSA-N 0 0 344.371 3.174 10 5 EGBERN CCC(C)(C)OCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837017 460345491 /nfs/dbraw/zinc/34/54/91/460345491.db2.gz CDWODQJNMXENCY-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835371 460345516 /nfs/dbraw/zinc/34/55/16/460345516.db2.gz VAGMWNDKPRGBHD-NHYWBVRUSA-N 0 0 346.387 3.062 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837403 460345655 /nfs/dbraw/zinc/34/56/55/460345655.db2.gz CSJZCAPXZNNWSF-GDBMZVCRSA-N 0 0 344.371 3.222 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000619434256 460355525 /nfs/dbraw/zinc/35/55/25/460355525.db2.gz RRMZJXZEDXWWQH-APWZRJJASA-N 0 0 348.443 3.488 10 5 EGBERN O=C(NCCC1(F)CCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599946984 460362681 /nfs/dbraw/zinc/36/26/81/460362681.db2.gz DNRMUAPURXORSH-UHFFFAOYSA-N 0 0 345.168 3.369 10 5 EGBERN CCO[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000599987849 460366666 /nfs/dbraw/zinc/36/66/66/460366666.db2.gz SFUHBTACXIJOOC-DOTOQJQBSA-N 0 0 334.416 3.362 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000615671570 460371096 /nfs/dbraw/zinc/37/10/96/460371096.db2.gz KLOPJWLXTDHYBD-UHFFFAOYSA-N 0 0 342.277 3.223 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1F ZINC000611505304 460380569 /nfs/dbraw/zinc/38/05/69/460380569.db2.gz BGJKAWRFILUOHG-PRHODGIISA-N 0 0 345.168 3.177 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000611507081 460381657 /nfs/dbraw/zinc/38/16/57/460381657.db2.gz XOCNETNGKHIPBI-JBLDHEPKSA-N 0 0 344.770 3.222 10 5 EGBERN COc1ccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000611525266 460387877 /nfs/dbraw/zinc/38/78/77/460387877.db2.gz SIBKGCWZFBKRBW-QGZVFWFLSA-N 0 0 343.383 3.019 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611549370 460395648 /nfs/dbraw/zinc/39/56/48/460395648.db2.gz RAJPIGYDBLVZOD-SCZZXKLOSA-N 0 0 331.294 3.101 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000611615699 460414289 /nfs/dbraw/zinc/41/42/89/460414289.db2.gz IIAQGJLJHUQXGG-OAHLLOKOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC(C)(C)c1ccccc1 ZINC000604376714 460414419 /nfs/dbraw/zinc/41/44/19/460414419.db2.gz ODMJDRHCPVYOFL-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616878 460414701 /nfs/dbraw/zinc/41/47/01/460414701.db2.gz UOSVTWIFZJYIPA-CABCVRRESA-N 0 0 348.447 3.128 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000611616054 460414815 /nfs/dbraw/zinc/41/48/15/460414815.db2.gz NBTLRPSXLBMFJQ-GFCCVEGCSA-N 0 0 331.376 3.455 10 5 EGBERN CCC[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OCC ZINC000600174707 460420320 /nfs/dbraw/zinc/42/03/20/460420320.db2.gz MQAVFOOPJPRCNS-LLVKDONJSA-N 0 0 346.330 3.131 10 5 EGBERN Cc1cc(C)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1CO ZINC000615895343 460421258 /nfs/dbraw/zinc/42/12/58/460421258.db2.gz YWCBIBYVLORSTA-UHFFFAOYSA-N 0 0 339.351 3.438 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000600209925 460441935 /nfs/dbraw/zinc/44/19/35/460441935.db2.gz YCJWJWNLUVZLND-ARFHVFGLSA-N 0 0 343.770 3.020 10 5 EGBERN COCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000604562652 460448941 /nfs/dbraw/zinc/44/89/41/460448941.db2.gz QVYQWXNGVSDWIR-UHFFFAOYSA-N 0 0 344.367 3.319 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000619871771 460458547 /nfs/dbraw/zinc/45/85/47/460458547.db2.gz XYCORATZKFKJGD-JSGCOSHPSA-N 0 0 343.408 3.245 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000616121599 460478472 /nfs/dbraw/zinc/47/84/72/460478472.db2.gz OVXRNCZDEFTSKN-LLVKDONJSA-N 0 0 343.330 3.447 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600361309 460480914 /nfs/dbraw/zinc/48/09/14/460480914.db2.gz ILZSIKPFPXFVRW-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000600364276 460483249 /nfs/dbraw/zinc/48/32/49/460483249.db2.gz PKJWMWGVVQEURE-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN CCCOc1cncc(NC(=O)c2cccc([N+](=O)[O-])c2NC)c1 ZINC000600366471 460483327 /nfs/dbraw/zinc/48/33/27/460483327.db2.gz KITCYXJZABZYCH-UHFFFAOYSA-N 0 0 330.344 3.073 10 5 EGBERN CCC(F)(F)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600379405 460486770 /nfs/dbraw/zinc/48/67/70/460486770.db2.gz KQCNWPWASXUBAI-MRVPVSSYSA-N 0 0 336.722 3.177 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600395474 460488789 /nfs/dbraw/zinc/48/87/89/460488789.db2.gz VVDLEAYTHIPVHL-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN Cc1cc(=O)n(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000600528201 460513254 /nfs/dbraw/zinc/51/32/54/460513254.db2.gz GSUJNYNFZJHFEY-WDEREUQCSA-N 0 0 346.305 3.003 10 5 EGBERN CO[C@@H](Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccc(F)cc1 ZINC000600560736 460524804 /nfs/dbraw/zinc/52/48/04/460524804.db2.gz AFYWKLWUYMGYFP-KRWDZBQOSA-N 0 0 346.358 3.162 10 5 EGBERN CC1(C)C(C(=O)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000600564431 460525575 /nfs/dbraw/zinc/52/55/75/460525575.db2.gz WWRKWUSXZLNQMU-UHFFFAOYSA-N 0 0 328.372 3.105 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N[C@@H](C3CC3)C3CCOCC3)c2c1 ZINC000601183665 460741904 /nfs/dbraw/zinc/74/19/04/460741904.db2.gz BKLFQUQHULBWSR-SFHVURJKSA-N 0 0 327.384 3.182 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](c3cccnc3)C2)s1 ZINC000601216219 460753318 /nfs/dbraw/zinc/75/33/18/460753318.db2.gz KKSOFGKGJOGQGZ-GFCCVEGCSA-N 0 0 341.396 3.379 10 5 EGBERN Cc1cc(NCC[C@@H](O)C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000601222885 460755457 /nfs/dbraw/zinc/75/54/57/460755457.db2.gz TZRRIXPIDRRESZ-SNVBAGLBSA-N 0 0 339.136 3.094 10 5 EGBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000601295307 460780523 /nfs/dbraw/zinc/78/05/23/460780523.db2.gz SYMBPSPWNUAFLT-RLFDGXBXSA-N 0 0 344.342 3.417 10 5 EGBERN Cc1cc(S(=O)(=O)N(C2CCC2)C2CCC2)c([N+](=O)[O-])s1 ZINC000601419309 460808703 /nfs/dbraw/zinc/80/87/03/460808703.db2.gz JCNZQKJNFAZNKW-UHFFFAOYSA-N 0 0 330.431 3.060 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCC2)s1 ZINC000601500072 460819396 /nfs/dbraw/zinc/81/93/96/460819396.db2.gz NWVCPUAMQPSXPZ-UHFFFAOYSA-N 0 0 338.410 3.404 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601566589 460835593 /nfs/dbraw/zinc/83/55/93/460835593.db2.gz TWZJOWRZIQRPNJ-LWINAJNOSA-N 0 0 343.177 3.109 10 5 EGBERN O=C(N1CCC[C@H](CCO)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601645422 460855002 /nfs/dbraw/zinc/85/50/02/460855002.db2.gz WAZKEGLGIISSLN-HNNXBMFYSA-N 0 0 346.427 3.028 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000601700424 460875865 /nfs/dbraw/zinc/87/58/65/460875865.db2.gz RLDKGIKFLFURBL-OAHLLOKOSA-N 0 0 330.340 3.420 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000601705006 460877687 /nfs/dbraw/zinc/87/76/87/460877687.db2.gz QOEYAXMGBHMEAB-OAHLLOKOSA-N 0 0 334.372 3.065 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601742741 460887454 /nfs/dbraw/zinc/88/74/54/460887454.db2.gz HTVZDDMZTXAGEZ-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C(F)F)CC1 ZINC000601975483 460967214 /nfs/dbraw/zinc/96/72/14/460967214.db2.gz KPMHPQVQUYDJOX-OAHLLOKOSA-N 0 0 344.358 3.238 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000154204338 533733841 /nfs/dbraw/zinc/73/38/41/533733841.db2.gz KDRFXIXSLSBRSQ-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](c2ccco2)C1 ZINC000302075921 518184409 /nfs/dbraw/zinc/18/44/09/518184409.db2.gz XYONXSBFPISUNH-RYUDHWBXSA-N 0 0 327.344 3.208 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341304958 534749293 /nfs/dbraw/zinc/74/92/93/534749293.db2.gz PJBSPGMWZIQKSA-NSHDSACASA-N 0 0 327.340 3.044 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000356283831 535370800 /nfs/dbraw/zinc/37/08/00/535370800.db2.gz PBHFPZCXZFKTFZ-CQSZACIVSA-N 0 0 334.397 3.243 10 5 EGBERN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000338053633 536666449 /nfs/dbraw/zinc/66/64/49/536666449.db2.gz XOARGPRFDLHERR-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CCC2)cc1 ZINC000495155762 547996246 /nfs/dbraw/zinc/99/62/46/547996246.db2.gz KPJBVMOOUSPREW-UHFFFAOYSA-N 0 0 325.368 3.496 10 5 EGBERN CCc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 ZINC000682029487 550064091 /nfs/dbraw/zinc/06/40/91/550064091.db2.gz AMLVZIYUILNVRF-UHFFFAOYSA-N 0 0 332.363 3.219 10 5 EGBERN CC(C)Oc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 ZINC000726430776 574552792 /nfs/dbraw/zinc/55/27/92/574552792.db2.gz XLVQFDMNHAKJQH-UHFFFAOYSA-N 0 0 339.351 3.140 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)OC[C@@H](C)C(F)(F)F)c1 ZINC000748241796 574606201 /nfs/dbraw/zinc/60/62/01/574606201.db2.gz GDRVBZIRZAGWIR-SNVBAGLBSA-N 0 0 335.278 3.414 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(F)c1 ZINC000728201659 574729119 /nfs/dbraw/zinc/72/91/19/574729119.db2.gz LSKMDXXXUVRJKH-LBPRGKRZSA-N 0 0 343.358 3.432 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(-c2ccoc2)[nH]n1 ZINC000728995571 574792823 /nfs/dbraw/zinc/79/28/23/574792823.db2.gz XTAYRZBYUHVKSW-UHFFFAOYSA-N 0 0 331.259 3.074 10 5 EGBERN O=C(OCc1cnc2ccccc2n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000729896423 574894763 /nfs/dbraw/zinc/89/47/63/574894763.db2.gz CYOABTVUWOFPNS-UHFFFAOYSA-N 0 0 348.318 3.376 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730197922 574941783 /nfs/dbraw/zinc/94/17/83/574941783.db2.gz XMBVESOBCNTLOE-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000730295514 574967312 /nfs/dbraw/zinc/96/73/12/574967312.db2.gz XSCRWPZGKDVKLT-VIFPVBQESA-N 0 0 335.262 3.301 10 5 EGBERN C[C@@H](OC(=O)Cn1ncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000730691783 575010410 /nfs/dbraw/zinc/01/04/10/575010410.db2.gz MSXLXEHIZUFRBP-GFCCVEGCSA-N 0 0 325.324 3.249 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000731516483 575078978 /nfs/dbraw/zinc/07/89/78/575078978.db2.gz IGNIABWERYUMJU-MRVPVSSYSA-N 0 0 337.307 3.332 10 5 EGBERN COc1cc(OCC(=O)OCCSC(C)(C)C)ccc1[N+](=O)[O-] ZINC000733065175 575304629 /nfs/dbraw/zinc/30/46/29/575304629.db2.gz HPYONMWRRKRDBO-UHFFFAOYSA-N 0 0 343.401 3.057 10 5 EGBERN O=[N+]([O-])c1cccc(CNCc2nc(-c3ccncc3)cs2)c1 ZINC000733332004 575328972 /nfs/dbraw/zinc/32/89/72/575328972.db2.gz VNNLEMONHWBADO-UHFFFAOYSA-N 0 0 326.381 3.403 10 5 EGBERN CC(C)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000733684061 575382947 /nfs/dbraw/zinc/38/29/47/575382947.db2.gz PMYOXGBXMUMOIH-BBRMVZONSA-N 0 0 348.399 3.236 10 5 EGBERN CCc1ccc(OC(=O)c2cc(-c3ccoc3)[nH]n2)c([N+](=O)[O-])c1 ZINC000734739789 575547576 /nfs/dbraw/zinc/54/75/76/575547576.db2.gz OITVHESCGAYTNO-UHFFFAOYSA-N 0 0 327.296 3.360 10 5 EGBERN CCC/C(C)=C/C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000735346493 575647102 /nfs/dbraw/zinc/64/71/02/575647102.db2.gz ANIDESGPNACBOZ-ZRDIBKRKSA-N 0 0 348.355 3.182 10 5 EGBERN CN(C)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(Cl)n1 ZINC000735608240 575689101 /nfs/dbraw/zinc/68/91/01/575689101.db2.gz XPMSPYYWRYHXGD-UHFFFAOYSA-N 0 0 345.746 3.426 10 5 EGBERN C[C@H]1CCCCCN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000738226341 576302407 /nfs/dbraw/zinc/30/24/07/576302407.db2.gz XBTIAXQPRMIVAE-AWEZNQCLSA-N 0 0 342.399 3.041 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000742015574 576742414 /nfs/dbraw/zinc/74/24/14/576742414.db2.gz IGXPEYZAAPJKET-SNVBAGLBSA-N 0 0 347.327 3.156 10 5 EGBERN O=C(/C=C\C1CC1)OCc1ccc([N+](=O)[O-])cc1Br ZINC000744174993 576822300 /nfs/dbraw/zinc/82/23/00/576822300.db2.gz QCDHWHMPDYZLMZ-UTCJRWHESA-N 0 0 326.146 3.367 10 5 EGBERN CC(=O)CCCOC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000895741833 1309500119 /nfs/dbraw/zinc/50/01/19/1309500119.db2.gz QMOFJWQTVCVGSW-ZDUSSCGKSA-N 0 0 348.399 3.357 10 5 EGBERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895939869 1309601918 /nfs/dbraw/zinc/60/19/18/1309601918.db2.gz BLDGTCJUWHCZCP-GFCCVEGCSA-N 0 0 344.392 3.108 10 5 EGBERN Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000050624982 1291653440 /nfs/dbraw/zinc/65/34/40/1291653440.db2.gz KMULEBGUIUMPPH-BQYQJAHWSA-N 0 0 349.774 3.355 10 5 EGBERN Cc1scc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000180607526 1294902597 /nfs/dbraw/zinc/90/25/97/1294902597.db2.gz PJUDVHVOIDRWNH-UHFFFAOYSA-N 0 0 334.353 3.069 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](c3ccc(F)cc3)C2)n1 ZINC000870523791 1295925797 /nfs/dbraw/zinc/92/57/97/1295925797.db2.gz QTXYGORGDONBEY-BJHJDKERSA-N 0 0 333.319 3.053 10 5 EGBERN CC(=O)c1ncc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000870701218 1296027419 /nfs/dbraw/zinc/02/74/19/1296027419.db2.gz PQLVKLRUPQSBQO-UHFFFAOYSA-N 0 0 334.353 3.228 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000870723412 1296044626 /nfs/dbraw/zinc/04/46/26/1296044626.db2.gz AYUBLUFFUJUYLY-KOLCDFICSA-N 0 0 346.305 3.253 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870729919 1296047484 /nfs/dbraw/zinc/04/74/84/1296047484.db2.gz DPMDBOLUXXPYNV-DOMZBBRYSA-N 0 0 328.368 3.388 10 5 EGBERN CSc1ccccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829076 1296106263 /nfs/dbraw/zinc/10/62/63/1296106263.db2.gz GAZGZZONIFXVFD-UHFFFAOYSA-N 0 0 333.369 3.074 10 5 EGBERN C/C(=C\c1ccc(F)cc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830027 1296107561 /nfs/dbraw/zinc/10/75/61/1296107561.db2.gz UBMACYCADXEBLG-IZZDOVSWSA-N 0 0 345.330 3.281 10 5 EGBERN Cc1ccc(CCCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870830034 1296107932 /nfs/dbraw/zinc/10/79/32/1296107932.db2.gz UKYLRLOWERKDBV-UHFFFAOYSA-N 0 0 343.383 3.369 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000871209856 1296274153 /nfs/dbraw/zinc/27/41/53/1296274153.db2.gz IVBAGVDOYRCFGO-UHFFFAOYSA-N 0 0 347.293 3.173 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871294902 1296324993 /nfs/dbraw/zinc/32/49/93/1296324993.db2.gz WGSFDBPEALSPNL-XJKSGUPXSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871298780 1296329135 /nfs/dbraw/zinc/32/91/35/1296329135.db2.gz PDWKUHCDUDVEQG-SMDDNHRTSA-N 0 0 338.791 3.183 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2(CSC2)C1 ZINC000871507949 1296419767 /nfs/dbraw/zinc/41/97/67/1296419767.db2.gz BNEZUKTTZAFCEU-UHFFFAOYSA-N 0 0 338.454 3.332 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@H]1CC2(CCC2)CO1 ZINC000871694264 1296483968 /nfs/dbraw/zinc/48/39/68/1296483968.db2.gz JDYBJHMAEUEERT-SECBINFHSA-N 0 0 343.177 3.090 10 5 EGBERN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043644 1296692155 /nfs/dbraw/zinc/69/21/55/1296692155.db2.gz JPVIGRIPTNHAEQ-SWLSCSKDSA-N 0 0 343.358 3.190 10 5 EGBERN C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090504 1296728597 /nfs/dbraw/zinc/72/85/97/1296728597.db2.gz QHIZFTZRRBFYBJ-BDJLRTHQSA-N 0 0 343.358 3.211 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872167878 1296790189 /nfs/dbraw/zinc/79/01/89/1296790189.db2.gz LDZNYXCIOLEACI-ICCXJUOJSA-N 0 0 346.305 3.159 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1sccc1C(F)F ZINC000873553669 1297578518 /nfs/dbraw/zinc/57/85/18/1297578518.db2.gz YJPCVFGDTZORCK-UHFFFAOYSA-N 0 0 343.311 3.351 10 5 EGBERN CC(=O)N1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000876231256 1298653716 /nfs/dbraw/zinc/65/37/16/1298653716.db2.gz SRFMEGXSGJMYQW-CYBMUJFWSA-N 0 0 346.364 3.311 10 5 EGBERN Cc1coc(-c2ccc(C)c(NCc3cn(C)nc3[N+](=O)[O-])c2)n1 ZINC000876870850 1299045436 /nfs/dbraw/zinc/04/54/36/1299045436.db2.gz OHWGRUIZLNHYQH-UHFFFAOYSA-N 0 0 327.344 3.212 10 5 EGBERN Cc1cc(NCc2cn(C)nc2[N+](=O)[O-])ccc1Br ZINC000876953136 1299084634 /nfs/dbraw/zinc/08/46/34/1299084634.db2.gz ZBLCJDHDCRZULT-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC(=O)c1c(N[C@H]2CCCc3nc(C)ncc32)cccc1[N+](=O)[O-] ZINC000881992994 1301776354 /nfs/dbraw/zinc/77/63/54/1301776354.db2.gz XIRPAURWVQUUMZ-AWEZNQCLSA-N 0 0 326.356 3.385 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000882097132 1301827007 /nfs/dbraw/zinc/82/70/07/1301827007.db2.gz UWALSZUEDGBPNL-CQSZACIVSA-N 0 0 345.399 3.000 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC=C(Br)C1 ZINC000882312288 1301917091 /nfs/dbraw/zinc/91/70/91/1301917091.db2.gz UQAANDKAFNODDY-UHFFFAOYSA-N 0 0 325.162 3.286 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC2(CCCCO2)CC1 ZINC000882430747 1301961694 /nfs/dbraw/zinc/96/16/94/1301961694.db2.gz CWOXPXHFNNHYFR-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC2(CCCCO2)CC1 ZINC000882443324 1301967900 /nfs/dbraw/zinc/96/79/00/1301967900.db2.gz ZTKCRSGZWRCCSA-DLBZAZTESA-N 0 0 344.411 3.260 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000882463246 1301981819 /nfs/dbraw/zinc/98/18/19/1301981819.db2.gz IRVPQKQBFTXQGA-XLNGHYISSA-N 0 0 332.400 3.020 10 5 EGBERN C/C(=C/C(=O)N1CCOC[C@H]1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000886467889 1303471992 /nfs/dbraw/zinc/47/19/92/1303471992.db2.gz MXEFMGVXVADUHW-OJNOIJSXSA-N 0 0 330.384 3.026 10 5 EGBERN O=C(NC[C@@H]1CC2(CCC2)CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000887183815 1303699090 /nfs/dbraw/zinc/69/90/90/1303699090.db2.gz KSNZPYWRVMMFPA-NSHDSACASA-N 0 0 339.779 3.329 10 5 EGBERN CC(=O)C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888277865 1304095643 /nfs/dbraw/zinc/09/56/43/1304095643.db2.gz HCIDSEYSNWZYNV-UHFFFAOYSA-N 0 0 339.779 3.390 10 5 EGBERN CC1(C)CC2(CC(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000889724286 1304572649 /nfs/dbraw/zinc/57/26/49/1304572649.db2.gz DSMAWQNAXLRIEJ-QHZMEWJKSA-N 0 0 344.411 3.162 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC12CCCC2 ZINC000890415982 1304781110 /nfs/dbraw/zinc/78/11/10/1304781110.db2.gz WXUZPAILVYULRB-BFFYNSAMSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\C(=O)N1CC(Cc2ccoc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000890573594 1304821613 /nfs/dbraw/zinc/82/16/13/1304821613.db2.gz XEZNPJVGHTWONI-MDWZMJQESA-N 0 0 326.352 3.292 10 5 EGBERN C/C(=C\C(=O)N1C[C@@H]2CSC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000891183514 1304979708 /nfs/dbraw/zinc/97/97/08/1304979708.db2.gz BIAXNNYYOLDOJD-SARSIEBVSA-N 0 0 332.425 3.210 10 5 EGBERN CSc1cccc(C(=O)O[C@@H]2CCn3c(C)cnc32)c1[N+](=O)[O-] ZINC000893529669 1305951793 /nfs/dbraw/zinc/95/17/93/1305951793.db2.gz RRZUXIKLZSCCBH-LLVKDONJSA-N 0 0 333.369 3.123 10 5 EGBERN CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893862144 1306103045 /nfs/dbraw/zinc/10/30/45/1306103045.db2.gz BHBFUFVFAZOURM-RISCZKNCSA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nn(C)cc1Cl ZINC000893935433 1306135361 /nfs/dbraw/zinc/13/53/61/1306135361.db2.gz DEFKPXVPOXADCG-LLVKDONJSA-N 0 0 336.779 3.189 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000894001762 1306172370 /nfs/dbraw/zinc/17/23/70/1306172370.db2.gz JVIKNMBOPRUWPR-KRWDZBQOSA-N 0 0 346.427 3.193 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC2(CCC2)CO1 ZINC000894530849 1308940442 /nfs/dbraw/zinc/94/04/42/1308940442.db2.gz OCCQNIYVQSNRKV-HQQUCIOCSA-N 0 0 330.384 3.074 10 5 EGBERN Cn1cc(C(=O)NC2CCC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895211919 1309242594 /nfs/dbraw/zinc/24/25/94/1309242594.db2.gz PXIPGSJBNLIHGQ-UHFFFAOYSA-N 0 0 340.383 3.224 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000895446977 1309340601 /nfs/dbraw/zinc/34/06/01/1309340601.db2.gz VKUAIXSBPIEEGC-GXFFZTMASA-N 0 0 332.278 3.319 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895577449 1309409837 /nfs/dbraw/zinc/40/98/37/1309409837.db2.gz KSNAFZODEBNMEJ-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCn2nc(C(C)(C)C)cc2C1 ZINC000896226162 1309754813 /nfs/dbraw/zinc/75/48/13/1309754813.db2.gz CFXXGGMLDIFMOY-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@]3(C)c3ccccc3)n2)n1C ZINC000896249039 1309768830 /nfs/dbraw/zinc/76/88/30/1309768830.db2.gz SXZTXQXJJKTCCM-YVEFUNNKSA-N 0 0 339.355 3.132 10 5 EGBERN COCC1(c2noc(-c3cc([N+](=O)[O-])cc4ccccc43)n2)CC1 ZINC000897053317 1310156563 /nfs/dbraw/zinc/15/65/63/1310156563.db2.gz ABYJXBLSAQUXTF-UHFFFAOYSA-N 0 0 325.324 3.476 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2CCOC3(CCCC3)C2)no1 ZINC000897193244 1310217947 /nfs/dbraw/zinc/21/79/47/1310217947.db2.gz XTDOTMQZBICYDA-LLVKDONJSA-N 0 0 332.360 3.190 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](Cc2nccs2)C1 ZINC000897279011 1310264425 /nfs/dbraw/zinc/26/44/25/1310264425.db2.gz DQFVVGVKPMITIE-GFCCVEGCSA-N 0 0 331.397 3.323 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000897544428 1310373864 /nfs/dbraw/zinc/37/38/64/1310373864.db2.gz RSZIFEXJLNDDQG-ZJUUUORDSA-N 0 0 344.314 3.340 10 5 EGBERN Nc1c(C(=O)N2CCC23CCCC3)cc2ccccc2c1[N+](=O)[O-] ZINC000898268668 1310654111 /nfs/dbraw/zinc/65/41/11/1310654111.db2.gz KBQPWBFAJYDJIU-UHFFFAOYSA-N 0 0 325.368 3.489 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000898270579 1310655075 /nfs/dbraw/zinc/65/50/75/1310655075.db2.gz WKAIXVAEOXOTRT-PXAZEXFGSA-N 0 0 346.358 3.203 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898411237 1310723719 /nfs/dbraw/zinc/72/37/19/1310723719.db2.gz UWEBMKOCCHCFBQ-SFHVURJKSA-N 0 0 337.379 3.286 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](O)c3ccccc32)c1C ZINC000898723656 1310831347 /nfs/dbraw/zinc/83/13/47/1310831347.db2.gz JDHROONQAARUAF-HOCLYGCPSA-N 0 0 326.352 3.120 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1 ZINC000929204378 1328535986 /nfs/dbraw/zinc/53/59/86/1328535986.db2.gz CTWSDWRXLNCTCW-UHFFFAOYSA-N 0 0 330.359 3.416 10 5 EGBERN Cc1c(NC(=O)N2CCC(O)(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000929221212 1328540349 /nfs/dbraw/zinc/54/03/49/1328540349.db2.gz LLPRPCIKIFGXKE-UHFFFAOYSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000929223237 1328541276 /nfs/dbraw/zinc/54/12/76/1328541276.db2.gz RTBGWRUUGPMAOU-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC(F)(F)CC1 ZINC000857571418 1328550672 /nfs/dbraw/zinc/55/06/72/1328550672.db2.gz GRBNSTDMFMFWJB-UHFFFAOYSA-N 0 0 332.278 3.267 10 5 EGBERN Cc1cc(OCC(=O)O[C@@H](C)c2cccnc2C)ccc1[N+](=O)[O-] ZINC000857664533 1328578692 /nfs/dbraw/zinc/57/86/92/1328578692.db2.gz DKMCNDWFRUIKFF-ZDUSSCGKSA-N 0 0 330.340 3.290 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857902521 1328620152 /nfs/dbraw/zinc/62/01/52/1328620152.db2.gz SLAOULUGYVCLPK-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN C/C(=C\C(=O)NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000857970997 1328644422 /nfs/dbraw/zinc/64/44/22/1328644422.db2.gz UZHQPMKIENSQCE-SICOMBFOSA-N 0 0 337.379 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858008824 1328655270 /nfs/dbraw/zinc/65/52/70/1328655270.db2.gz GVZWJBYRZLSMLE-OAHLLOKOSA-N 0 0 340.383 3.228 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858008823 1328655467 /nfs/dbraw/zinc/65/54/67/1328655467.db2.gz GVZWJBYRZLSMLE-HNNXBMFYSA-N 0 0 340.383 3.228 10 5 EGBERN Cc1csc(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000899536873 1317077944 /nfs/dbraw/zinc/07/79/44/1317077944.db2.gz JNUALLRGZZQBOI-CYBMUJFWSA-N 0 0 345.424 3.455 10 5 EGBERN CC(C)(CCC(=O)N1CCCC[C@H]1CC1(O)CCCCC1)[N+](=O)[O-] ZINC000899752405 1317145758 /nfs/dbraw/zinc/14/57/58/1317145758.db2.gz VLXNKZBCVKABKX-HNNXBMFYSA-N 0 0 340.464 3.288 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000929883651 1328730070 /nfs/dbraw/zinc/73/00/70/1328730070.db2.gz HOTOQPYRZLDGTC-UHFFFAOYSA-N 0 0 344.371 3.060 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCCC[C@H]1CCO ZINC000858391190 1328751985 /nfs/dbraw/zinc/75/19/85/1328751985.db2.gz ZHCAKEOUTPMKCX-AWEZNQCLSA-N 0 0 328.368 3.125 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOC[C@H]1CC1CC1 ZINC000930158963 1328801240 /nfs/dbraw/zinc/80/12/40/1328801240.db2.gz BATQMBQGOVOAQM-GFCCVEGCSA-N 0 0 339.779 3.281 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(c2ccccn2)C1 ZINC000913378187 1319017682 /nfs/dbraw/zinc/01/76/82/1319017682.db2.gz OWXJPPDJNMDCFL-UHFFFAOYSA-N 0 0 343.408 3.341 10 5 EGBERN COCC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000913386211 1319021011 /nfs/dbraw/zinc/02/10/11/1319021011.db2.gz QREHFCDYLWTQMD-UHFFFAOYSA-N 0 0 344.770 3.210 10 5 EGBERN C[C@]1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000913386382 1319021283 /nfs/dbraw/zinc/02/12/83/1319021283.db2.gz SLXJEXBNYYYPCB-RTUWITSCSA-N 0 0 326.755 3.440 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000913586696 1319064485 /nfs/dbraw/zinc/06/44/85/1319064485.db2.gz AIIWLAMUFIKURK-OCCSQVGLSA-N 0 0 342.399 3.033 10 5 EGBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000913746754 1319114026 /nfs/dbraw/zinc/11/40/26/1319114026.db2.gz GWRBQASQPAPQPM-CQSZACIVSA-N 0 0 348.399 3.229 10 5 EGBERN CC1(C)CO[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913795685 1319127779 /nfs/dbraw/zinc/12/77/79/1319127779.db2.gz GAXDNXDLCXPTLH-CYBMUJFWSA-N 0 0 340.807 3.112 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000914239280 1319274861 /nfs/dbraw/zinc/27/48/61/1319274861.db2.gz YUWNJCMUCYNKII-LRDDRELGSA-N 0 0 340.383 3.428 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSC2(CCC2)C1 ZINC000914325462 1319296458 /nfs/dbraw/zinc/29/64/58/1319296458.db2.gz KQBVISKSVBXHMQ-AWEZNQCLSA-N 0 0 349.456 3.255 10 5 EGBERN C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914450470 1319330383 /nfs/dbraw/zinc/33/03/83/1319330383.db2.gz BKWYKKRWBCJNJY-VIFPVBQESA-N 0 0 335.310 3.288 10 5 EGBERN Cc1sc(C(=O)O[C@H](C)c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000914908028 1319397677 /nfs/dbraw/zinc/39/76/77/1319397677.db2.gz XCKCXRFFIHEKAW-SSDOTTSWSA-N 0 0 325.346 3.389 10 5 EGBERN CCCC(=O)NCC(=O)OCc1nc2ccccc2c2ccccc12 ZINC000914988362 1319408799 /nfs/dbraw/zinc/40/87/99/1319408799.db2.gz VZQKDYHSQGYKQL-UHFFFAOYSA-N 0 0 336.391 3.348 10 5 EGBERN C[C@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000915099465 1319423262 /nfs/dbraw/zinc/42/32/62/1319423262.db2.gz VTSDEZGZQJIGJZ-SFHVURJKSA-N 0 0 341.367 3.092 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930318589 1328832084 /nfs/dbraw/zinc/83/20/84/1328832084.db2.gz CTFZGPKEWZSAMK-MSOLQXFVSA-N 0 0 346.427 3.362 10 5 EGBERN Cc1nccc([C@@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000916741186 1319702242 /nfs/dbraw/zinc/70/22/42/1319702242.db2.gz BMROKUGKRWHXQG-CYBMUJFWSA-N 0 0 330.363 3.212 10 5 EGBERN CC(C)C[NH+]1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000917040596 1319743683 /nfs/dbraw/zinc/74/36/83/1319743683.db2.gz OHEUNQZDYXCRSU-GQCTYLIASA-N 0 0 347.415 3.225 10 5 EGBERN CC(=O)NCCCCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917374223 1319796818 /nfs/dbraw/zinc/79/68/18/1319796818.db2.gz PZLZEATWBMUIJF-UHFFFAOYSA-N 0 0 334.294 3.299 10 5 EGBERN CCc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2C)s1 ZINC000917921789 1319888082 /nfs/dbraw/zinc/88/80/82/1319888082.db2.gz ZSYXFQJOFYRJHC-UHFFFAOYSA-N 0 0 327.383 3.295 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000858837806 1328871809 /nfs/dbraw/zinc/87/18/09/1328871809.db2.gz WKZVNHXVVBCRNF-AWEZNQCLSA-N 0 0 326.352 3.497 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000930731760 1328951867 /nfs/dbraw/zinc/95/18/67/1328951867.db2.gz LMKHUMZHWNTJRU-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN CCO[C@H](COC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 ZINC000859445936 1328988213 /nfs/dbraw/zinc/98/82/13/1328988213.db2.gz WFRBQLYCEPQKEO-CYBMUJFWSA-N 0 0 325.386 3.289 10 5 EGBERN CC/C=C(/F)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919106848 1322027816 /nfs/dbraw/zinc/02/78/16/1322027816.db2.gz ZAGQRCDXVLBCSX-XCVCLJGOSA-N 0 0 331.141 3.237 10 5 EGBERN O=C(Cc1ccc(-n2cccn2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000919177723 1322036415 /nfs/dbraw/zinc/03/64/15/1322036415.db2.gz FAJIINZIKHWMPL-UHFFFAOYSA-N 0 0 343.364 3.128 10 5 EGBERN CCO[C@@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859483612 1328998238 /nfs/dbraw/zinc/99/82/38/1328998238.db2.gz DJCMSBDVQDVVEK-AWEZNQCLSA-N 0 0 325.386 3.045 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000920966886 1322239053 /nfs/dbraw/zinc/23/90/53/1322239053.db2.gz RBWLLHZDSDANTH-SFHVURJKSA-N 0 0 325.368 3.328 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921380597 1322304795 /nfs/dbraw/zinc/30/47/95/1322304795.db2.gz QMEFRGPJWYXAPO-VBNZEHGJSA-N 0 0 330.384 3.253 10 5 EGBERN C[C@@H]1c2sccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000921506245 1322331956 /nfs/dbraw/zinc/33/19/56/1322331956.db2.gz LWDROKPTAQQYMT-LLVKDONJSA-N 0 0 331.397 3.214 10 5 EGBERN CSCC1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000921805365 1322400871 /nfs/dbraw/zinc/40/08/71/1322400871.db2.gz DBIZAXYXSSNKDO-LBPRGKRZSA-N 0 0 337.445 3.440 10 5 EGBERN C[C@@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921806663 1322400888 /nfs/dbraw/zinc/40/08/88/1322400888.db2.gz LFXMZTFXDSKTIK-KGLIPLIRSA-N 0 0 347.415 3.447 10 5 EGBERN COc1cc(C(=O)OCCCC(C)(F)F)c([N+](=O)[O-])cc1OC ZINC000922138002 1322464314 /nfs/dbraw/zinc/46/43/14/1322464314.db2.gz FXHPLHVUVKHNBV-UHFFFAOYSA-N 0 0 333.287 3.204 10 5 EGBERN CCO[C@H](COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859627741 1329039502 /nfs/dbraw/zinc/03/95/02/1329039502.db2.gz UWBXHYUVDOZBBQ-CYBMUJFWSA-N 0 0 329.299 3.045 10 5 EGBERN CCn1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1C1CC1 ZINC000923508714 1322766474 /nfs/dbraw/zinc/76/64/74/1322766474.db2.gz ANCGFHVKPZFQDX-UHFFFAOYSA-N 0 0 333.319 3.185 10 5 EGBERN Cc1cc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c(C)nn1 ZINC000923599510 1322779570 /nfs/dbraw/zinc/77/95/70/1322779570.db2.gz WSSCEGGAUXNHRW-UHFFFAOYSA-N 0 0 349.774 3.331 10 5 EGBERN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccnn1C1CCC1 ZINC000923877419 1322832897 /nfs/dbraw/zinc/83/28/97/1322832897.db2.gz YWEOUAPBRSUEKD-UHFFFAOYSA-N 0 0 337.282 3.152 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC[C@@H](O)c1ccccc1 ZINC000923960721 1322856179 /nfs/dbraw/zinc/85/61/79/1322856179.db2.gz DJTMBVPVIUSCFA-QGZVFWFLSA-N 0 0 347.342 3.333 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCOCC(F)F ZINC000923967989 1322859234 /nfs/dbraw/zinc/85/92/34/1322859234.db2.gz VDVUSRBOBWYASA-UHFFFAOYSA-N 0 0 337.706 3.006 10 5 EGBERN C[C@@H](NC(=O)NCC1(C)CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923999379 1322868683 /nfs/dbraw/zinc/86/86/83/1322868683.db2.gz WXTAOVSCZCGYSZ-SNVBAGLBSA-N 0 0 327.331 3.390 10 5 EGBERN CCO[C@@H](COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000859672269 1329051066 /nfs/dbraw/zinc/05/10/66/1329051066.db2.gz CQQORLPOHQDSOQ-AWEZNQCLSA-N 0 0 345.754 3.288 10 5 EGBERN Cc1c(-c2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000924092966 1322898344 /nfs/dbraw/zinc/89/83/44/1322898344.db2.gz LEHMHMNDOHIIQJ-DOMZBBRYSA-N 0 0 329.356 3.453 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931139260 1329058610 /nfs/dbraw/zinc/05/86/10/1329058610.db2.gz BHOOHBMYAXJZAA-IAGOWNOFSA-N 0 0 338.363 3.296 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924494880 1323037787 /nfs/dbraw/zinc/03/77/87/1323037787.db2.gz OGWUIYUWCZFDLW-CMPLNLGQSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000859730912 1329065639 /nfs/dbraw/zinc/06/56/39/1329065639.db2.gz ODNJFFYHLRYUDT-UHIISALHSA-N 0 0 333.315 3.062 10 5 EGBERN C/C(=C\C(=O)NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000924949090 1323224844 /nfs/dbraw/zinc/22/48/44/1323224844.db2.gz XOTZRQCCAYTWGG-WYMLVPIESA-N 0 0 344.411 3.200 10 5 EGBERN COC(=O)[C@](C)(NCCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000931262365 1329080761 /nfs/dbraw/zinc/08/07/61/1329080761.db2.gz UTDBLHZWQQHBSE-OAHLLOKOSA-N 0 0 330.331 3.008 10 5 EGBERN Cc1noc(COC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c1[N+](=O)[O-] ZINC000860275189 1329185631 /nfs/dbraw/zinc/18/56/31/1329185631.db2.gz AXPSOZHUKKUYEN-IACUBPJLSA-N 0 0 348.742 3.174 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925250421 1325097851 /nfs/dbraw/zinc/09/78/51/1325097851.db2.gz JSZOWTPSPKMGJD-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000926022546 1325391532 /nfs/dbraw/zinc/39/15/32/1325391532.db2.gz QDLKGTBKFYZBBK-QHCPKHFHSA-N 0 0 340.401 3.174 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCOC1 ZINC000860681445 1329343904 /nfs/dbraw/zinc/34/39/04/1329343904.db2.gz NUEOQLNSFRZHPW-TZMCWYRMSA-N 0 0 328.368 3.293 10 5 EGBERN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860847583 1329362106 /nfs/dbraw/zinc/36/21/06/1329362106.db2.gz AYBLUBPKXDQKGB-KSSFIOAISA-N 0 0 340.379 3.435 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCO1 ZINC000927197242 1327915853 /nfs/dbraw/zinc/91/58/53/1327915853.db2.gz TWLHCYPQABGSSO-GOSISDBHSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927301772 1327963964 /nfs/dbraw/zinc/96/39/64/1327963964.db2.gz DRNQEYSYIDXWIM-VBKZILBWSA-N 0 0 347.374 3.490 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927427549 1328021796 /nfs/dbraw/zinc/02/17/96/1328021796.db2.gz AISANYOAHKFJRV-CZUORRHYSA-N 0 0 333.388 3.230 10 5 EGBERN COc1cccc(C(=O)NCCC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000927540993 1328051669 /nfs/dbraw/zinc/05/16/69/1328051669.db2.gz BYDACNNCCVAJCQ-UHFFFAOYSA-N 0 0 340.379 3.455 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)[C@H](C)O1 ZINC000861188620 1329395479 /nfs/dbraw/zinc/39/54/79/1329395479.db2.gz CZFNVOFUSKGMLS-UPJWGTAASA-N 0 0 328.368 3.386 10 5 EGBERN O=C(O[C@H]1CCC=CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000861231810 1329400044 /nfs/dbraw/zinc/40/00/44/1329400044.db2.gz RJIRQSMEALSETK-AWEZNQCLSA-N 0 0 342.355 3.221 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000927729188 1328122215 /nfs/dbraw/zinc/12/22/15/1328122215.db2.gz SEKJEBKYAMOQOQ-HNNXBMFYSA-N 0 0 347.415 3.228 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C(F)F)on2)c1C ZINC000928155006 1328219021 /nfs/dbraw/zinc/21/90/21/1328219021.db2.gz LDITYMHTBIWQCI-UHFFFAOYSA-N 0 0 325.271 3.067 10 5 EGBERN C[C@H]1COC(C)(C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861318070 1329407526 /nfs/dbraw/zinc/40/75/26/1329407526.db2.gz XXMAHJIQNOEDPJ-LBPRGKRZSA-N 0 0 328.368 3.388 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)n1 ZINC000928389637 1328304303 /nfs/dbraw/zinc/30/43/03/1328304303.db2.gz WGHIIYPRMXDYLQ-UKRRQHHQSA-N 0 0 342.399 3.220 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)n1 ZINC000928389635 1328304482 /nfs/dbraw/zinc/30/44/82/1328304482.db2.gz WGHIIYPRMXDYLQ-DZGCQCFKSA-N 0 0 342.399 3.220 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1C[C@]12CCOC2 ZINC000861445374 1329418727 /nfs/dbraw/zinc/41/87/27/1329418727.db2.gz GQUSRTOLFFLIIO-SCRDCRAPSA-N 0 0 345.273 3.168 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000929102984 1328505085 /nfs/dbraw/zinc/50/50/85/1328505085.db2.gz AXLUQCFZCQFHRC-UHFFFAOYSA-N 0 0 328.343 3.251 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC2(C1)CCCOC2 ZINC000861736733 1329438666 /nfs/dbraw/zinc/43/86/66/1329438666.db2.gz ITGKQBHHPZNCRO-UHFFFAOYSA-N 0 0 326.352 3.001 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000862377616 1329480407 /nfs/dbraw/zinc/48/04/07/1329480407.db2.gz JQPIUMUFAZYAIQ-KFWWJZLASA-N 0 0 343.427 3.361 10 5 EGBERN Nc1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000862980107 1329521498 /nfs/dbraw/zinc/52/14/98/1329521498.db2.gz RTTGPTNRALJLDZ-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN CC(C)(C)OC(=O)C(=O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000863314249 1329545977 /nfs/dbraw/zinc/54/59/77/1329545977.db2.gz DMXXSLYSYOMWEF-UHFFFAOYSA-N 0 0 331.324 3.038 10 5 EGBERN CCOC(=O)c1cccc(COc2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC000865363646 1329688954 /nfs/dbraw/zinc/68/89/54/1329688954.db2.gz RHVKRSRHLFATRO-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN CCN(CC)C(=S)Sc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865402767 1329691916 /nfs/dbraw/zinc/69/19/16/1329691916.db2.gz CYSXFYORFDTYMX-UHFFFAOYSA-N 0 0 342.368 3.066 10 5 EGBERN CC(C)(CNc1cc(F)c([N+](=O)[O-])cc1CO)[C@H]1CCCCO1 ZINC000865610606 1329719615 /nfs/dbraw/zinc/71/96/15/1329719615.db2.gz SOTKMCBBDPDAHS-OAHLLOKOSA-N 0 0 326.368 3.233 10 5 EGBERN O=C(C1CC1)[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000865684243 1329728971 /nfs/dbraw/zinc/72/89/71/1329728971.db2.gz RVLMLTKKYQFVBQ-LLVKDONJSA-N 0 0 345.182 3.086 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCC1=O ZINC000865687064 1329729219 /nfs/dbraw/zinc/72/92/19/1329729219.db2.gz XQXLXLCGRNSJAI-CYBMUJFWSA-N 0 0 338.363 3.241 10 5 EGBERN COCc1ccc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000865731325 1329733650 /nfs/dbraw/zinc/73/36/50/1329733650.db2.gz KJGZFFRSTBTKSF-UHFFFAOYSA-N 0 0 330.266 3.237 10 5 EGBERN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1cccnc1[N+](=O)[O-] ZINC000866053751 1330060056 /nfs/dbraw/zinc/06/00/56/1330060056.db2.gz VUVGTHGUMAJAMZ-UHFFFAOYSA-N 0 0 348.403 3.016 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])o1 ZINC000866117758 1330067054 /nfs/dbraw/zinc/06/70/54/1330067054.db2.gz FTATXZWPPXZZQU-NSHDSACASA-N 0 0 334.347 3.315 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866199529 1330077463 /nfs/dbraw/zinc/07/74/63/1330077463.db2.gz LOJITZZYQNWAGD-UHFFFAOYSA-N 0 0 329.360 3.024 10 5 EGBERN Cc1cncc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000866279258 1330089926 /nfs/dbraw/zinc/08/99/26/1330089926.db2.gz NIKUGKDGWVAYBM-GFCCVEGCSA-N 0 0 325.328 3.176 10 5 EGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2CCC2(F)F)c(Cl)c1 ZINC000866378349 1330104007 /nfs/dbraw/zinc/10/40/07/1330104007.db2.gz ZYIJWCNSPZNUIF-SSDOTTSWSA-N 0 0 341.719 3.002 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480884 1330117351 /nfs/dbraw/zinc/11/73/51/1330117351.db2.gz MAPKFXWBOXHUPZ-HOTGVXAUSA-N 0 0 346.456 3.293 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000866943918 1330159964 /nfs/dbraw/zinc/15/99/64/1330159964.db2.gz NTIXGUPCUWLABK-OJAKKHQRSA-N 0 0 329.356 3.337 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000867985189 1330236185 /nfs/dbraw/zinc/23/61/85/1330236185.db2.gz VSEBPQDWKCTEQX-CYBMUJFWSA-N 0 0 331.372 3.317 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000868122821 1330251813 /nfs/dbraw/zinc/25/18/13/1330251813.db2.gz RHVXDFVLZADMSU-UBHSHLNASA-N 0 0 335.429 3.050 10 5 EGBERN CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000868449171 1330281812 /nfs/dbraw/zinc/28/18/12/1330281812.db2.gz UWIKBWKDVVKITQ-UHFFFAOYSA-N 0 0 329.347 3.118 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000868655267 1330306856 /nfs/dbraw/zinc/30/68/56/1330306856.db2.gz MLSWXIDKBAYQBY-JCURWCKSSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000869053507 1330403286 /nfs/dbraw/zinc/40/32/86/1330403286.db2.gz BIGSYXRWKAAIGY-UHFFFAOYSA-N 0 0 339.342 3.234 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000869053711 1330404089 /nfs/dbraw/zinc/40/40/89/1330404089.db2.gz RMMRZSAPQDMIPE-UHFFFAOYSA-N 0 0 347.415 3.004 10 5 EGBERN CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053744 1330404190 /nfs/dbraw/zinc/40/41/90/1330404190.db2.gz SEUZATLUOPWRMG-ZIAGYGMSSA-N 0 0 337.445 3.377 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCSC1 ZINC000869599273 1330530708 /nfs/dbraw/zinc/53/07/08/1330530708.db2.gz LTTPMLIGVOHUAL-JTQLQIEISA-N 0 0 328.821 3.430 10 5 EGBERN CSc1ccc(C(=O)NCC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000869611660 1330532947 /nfs/dbraw/zinc/53/29/47/1330532947.db2.gz CZBOHKRGLFKFST-SNVBAGLBSA-N 0 0 326.443 3.190 10 5 EGBERN COc1cncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000869759524 1330560307 /nfs/dbraw/zinc/56/03/07/1330560307.db2.gz BOWLYXVLKIGLFM-UHFFFAOYSA-N 0 0 327.340 3.059 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]1C1CCOCC1 ZINC000869797203 1330565614 /nfs/dbraw/zinc/56/56/14/1330565614.db2.gz KSDKHRXTPDRFJH-UONOGXRCSA-N 0 0 339.775 3.354 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc(-c2ccco2)[nH]n1 ZINC001183837122 1387356968 /nfs/dbraw/zinc/35/69/68/1387356968.db2.gz VALNSVIYNVEWIP-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN COC(=O)c1ccnc(Oc2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC001184571637 1387495783 /nfs/dbraw/zinc/49/57/83/1387495783.db2.gz CANSUIXFHPDLTI-UHFFFAOYSA-N 0 0 326.667 3.361 10 5 EGBERN Cn1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3N)o2)c2ccccc21 ZINC001324055690 1387521752 /nfs/dbraw/zinc/52/17/52/1387521752.db2.gz GTJAHYGVPHBWEA-UHFFFAOYSA-N 0 0 335.323 3.386 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1ccc3c(c1)OCCO3)CCCC2 ZINC001184775070 1387535650 /nfs/dbraw/zinc/53/56/50/1387535650.db2.gz HAPQNUQFWHEOOC-UHFFFAOYSA-N 0 0 341.367 3.252 10 5 EGBERN CC[C@H](c1nnc(Sc2nn(C)cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001185230541 1387657144 /nfs/dbraw/zinc/65/71/44/1387657144.db2.gz GVGJTDHVDZVJRT-NSHDSACASA-N 0 0 345.384 3.404 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(S[C@@H](C)CC(=O)OC)cc1C ZINC001185375171 1387695809 /nfs/dbraw/zinc/69/58/09/1387695809.db2.gz BHBSJFMPZCXTGJ-JTQLQIEISA-N 0 0 341.385 3.124 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1ccnc(-c3nccs3)n1)CC2 ZINC001185677371 1387775345 /nfs/dbraw/zinc/77/53/45/1387775345.db2.gz UCJKSCLSQSXFED-UHFFFAOYSA-N 0 0 339.380 3.071 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2ccccc2-n2cccn2)cc1F ZINC001185828760 1387809527 /nfs/dbraw/zinc/80/95/27/1387809527.db2.gz WAOCAYSXYITQKX-UHFFFAOYSA-N 0 0 342.330 3.024 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@@H]1CCCCO1 ZINC001185906373 1387825852 /nfs/dbraw/zinc/82/58/52/1387825852.db2.gz IIWHGSMOPOYXSD-NSHDSACASA-N 0 0 342.779 3.406 10 5 EGBERN COC[C@@H](COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)C(C)C ZINC001189667760 1367082152 /nfs/dbraw/zinc/08/21/52/1367082152.db2.gz OSEPNVYUUWRWNS-ZETCQYMHSA-N 0 0 325.258 3.449 10 5 EGBERN O=Cc1cc(F)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001189938697 1367135377 /nfs/dbraw/zinc/13/53/77/1367135377.db2.gz JFRBMZWPMKNMGM-UHFFFAOYSA-N 0 0 343.270 3.175 10 5 EGBERN C[C@@H]1COCC[C@@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186382058 1387931447 /nfs/dbraw/zinc/93/14/47/1387931447.db2.gz ZXRPBXRKPVPGEU-GHMZBOCLSA-N 0 0 335.791 3.303 10 5 EGBERN Cc1cc(NCc2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186527306 1387961682 /nfs/dbraw/zinc/96/16/82/1387961682.db2.gz IDCKKIPSJIXQRH-UHFFFAOYSA-N 0 0 328.250 3.030 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC001325410602 1387964746 /nfs/dbraw/zinc/96/47/46/1387964746.db2.gz ISROLVCCGGRJRI-VHSXEESVSA-N 0 0 345.321 3.440 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cnccc2OC)cc1C ZINC001186538671 1387966894 /nfs/dbraw/zinc/96/68/94/1387966894.db2.gz AEPVXHPNQMWFKJ-UHFFFAOYSA-N 0 0 345.355 3.096 10 5 EGBERN COC(=O)c1cnc(NCCc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC001186550641 1387969868 /nfs/dbraw/zinc/96/98/68/1387969868.db2.gz UTZJKVKCIUVWEV-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN CO[C@@H]1COCC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186550561 1387969885 /nfs/dbraw/zinc/96/98/85/1387969885.db2.gz QXBVEYNRIGXJID-LDYMZIIASA-N 0 0 335.187 3.365 10 5 EGBERN Cc1n[nH]cc1CN(C)c1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001186792448 1388009747 /nfs/dbraw/zinc/00/97/47/1388009747.db2.gz RMHYNJZXMKWTFQ-UHFFFAOYSA-N 0 0 331.763 3.464 10 5 EGBERN Cc1cccc(F)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001116247721 1370868613 /nfs/dbraw/zinc/86/86/13/1370868613.db2.gz ZZVUEVRBJDAXMZ-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN CC[C@@]1(CCc2ccccc2)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187463055 1388112751 /nfs/dbraw/zinc/11/27/51/1388112751.db2.gz NPNAMDLWEQATJX-SFHVURJKSA-N 0 0 341.415 3.349 10 5 EGBERN Cc1cc(NCCn2ccc(C(F)(F)F)n2)c(F)cc1[N+](=O)[O-] ZINC001187509588 1388119191 /nfs/dbraw/zinc/11/91/91/1388119191.db2.gz FMUVHPGMKAACJU-UHFFFAOYSA-N 0 0 332.257 3.370 10 5 EGBERN CC(C)(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)s1 ZINC001187533023 1388122595 /nfs/dbraw/zinc/12/25/95/1388122595.db2.gz ACBPZZMZHNASDM-UHFFFAOYSA-N 0 0 334.401 3.060 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001118988828 1371260856 /nfs/dbraw/zinc/26/08/56/1371260856.db2.gz ZPKAWOLLAMRVMQ-QZTJIDSGSA-N 0 0 340.379 3.241 10 5 EGBERN C[C@H](Nc1cc(C(F)F)nc2ncnn21)c1ccc([N+](=O)[O-])cc1 ZINC001187586952 1388128002 /nfs/dbraw/zinc/12/80/02/1388128002.db2.gz TWUGVRKRSKQPCU-QMMMGPOBSA-N 0 0 334.286 3.143 10 5 EGBERN Cc1cc(N2C[C@H]3COC[C@@]3(c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001187593081 1388128798 /nfs/dbraw/zinc/12/87/98/1388128798.db2.gz BDHAHJBNQUMRPM-WMLDXEAASA-N 0 0 330.409 3.369 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccsc1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001119461818 1371349650 /nfs/dbraw/zinc/34/96/50/1371349650.db2.gz QWAMAZKFVLFAET-NWDGAFQWSA-N 0 0 332.356 3.488 10 5 EGBERN CC1(C)CC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)OC1 ZINC001187757246 1388155875 /nfs/dbraw/zinc/15/58/75/1388155875.db2.gz GOPOZWNKDJQPKW-CYBMUJFWSA-N 0 0 347.415 3.487 10 5 EGBERN CC(C)[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1cnn(C)c1 ZINC001187792578 1388163555 /nfs/dbraw/zinc/16/35/55/1388163555.db2.gz PVLRMXIPPURUCM-MRXNPFEDSA-N 0 0 329.404 3.411 10 5 EGBERN CC(C)(C)c1cc2n(n1)CCN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001187791169 1388163852 /nfs/dbraw/zinc/16/38/52/1388163852.db2.gz ARIPUKHQSMWJTN-UHFFFAOYSA-N 0 0 345.359 3.017 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)(C)C1CCOCC1 ZINC001123363651 1372443079 /nfs/dbraw/zinc/44/30/79/1372443079.db2.gz FSBQYMPLIQLAEM-UHFFFAOYSA-N 0 0 337.372 3.213 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCc1ccncc1 ZINC001123480253 1372484982 /nfs/dbraw/zinc/48/49/82/1372484982.db2.gz JOQOWUJNXODTTI-UHFFFAOYSA-N 0 0 334.759 3.362 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(Cc2c[nH]cn2)CC1 ZINC001124074657 1372668971 /nfs/dbraw/zinc/66/89/71/1372668971.db2.gz TUNKQPQMBYNHJB-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1cccnc1Cl ZINC001124156325 1372680548 /nfs/dbraw/zinc/68/05/48/1372680548.db2.gz LWVIPFCQMBIDEY-UHFFFAOYSA-N 0 0 336.731 3.190 10 5 EGBERN O=C(OCCCc1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001124180787 1372681616 /nfs/dbraw/zinc/68/16/16/1372681616.db2.gz DIMYLJLWIOQZSQ-UHFFFAOYSA-N 0 0 329.308 3.113 10 5 EGBERN COc1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC001124317632 1372691148 /nfs/dbraw/zinc/69/11/48/1372691148.db2.gz PIUQEJXAHUWKMI-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 ZINC001124332011 1372692740 /nfs/dbraw/zinc/69/27/40/1372692740.db2.gz PHDDAIOFOPWFSA-LBPRGKRZSA-N 0 0 330.315 3.411 10 5 EGBERN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)OCCc2ccccc21 ZINC001124331861 1372692787 /nfs/dbraw/zinc/69/27/87/1372692787.db2.gz NBBSMSUXRDCDMD-QGZVFWFLSA-N 0 0 330.315 3.161 10 5 EGBERN COC(=O)c1ccc(CC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC001124515774 1372708350 /nfs/dbraw/zinc/70/83/50/1372708350.db2.gz BSFNTFCVQTXACQ-UHFFFAOYSA-N 0 0 343.335 3.146 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC001124550854 1372711099 /nfs/dbraw/zinc/71/10/99/1372711099.db2.gz JDWXMRLVHSSASU-UHFFFAOYSA-N 0 0 329.312 3.396 10 5 EGBERN COc1cc(C(=O)NCc2ccc(C)cc2C)c([N+](=O)[O-])cc1F ZINC001124837665 1372734108 /nfs/dbraw/zinc/73/41/08/1372734108.db2.gz XAKYKKXTZGSKEQ-UHFFFAOYSA-N 0 0 332.331 3.289 10 5 EGBERN CC(=O)N(CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001124928709 1372740402 /nfs/dbraw/zinc/74/04/02/1372740402.db2.gz LSUCKUDPBOYTRD-ZDUSSCGKSA-N 0 0 342.351 3.252 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Oc2cc([N+](=O)[O-])ccc2C)c1 ZINC001125150344 1372757174 /nfs/dbraw/zinc/75/71/74/1372757174.db2.gz ZDUSUQFWABEYIB-MRXNPFEDSA-N 0 0 331.324 3.205 10 5 EGBERN Cc1csc(N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n1 ZINC001125201298 1372760511 /nfs/dbraw/zinc/76/05/11/1372760511.db2.gz WTLGFXVHCJJFQU-UHFFFAOYSA-N 0 0 342.380 3.372 10 5 EGBERN Cc1c(OC(=O)c2cc3c(cc2Cl)NC(=O)C3)cccc1[N+](=O)[O-] ZINC001125228461 1372761377 /nfs/dbraw/zinc/76/13/77/1372761377.db2.gz KNLYYWGTNLERPF-UHFFFAOYSA-N 0 0 346.726 3.270 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(COC(C)C)c2)n1 ZINC001125352966 1372774219 /nfs/dbraw/zinc/77/42/19/1372774219.db2.gz JIHINAMKJMEVMN-UHFFFAOYSA-N 0 0 329.356 3.476 10 5 EGBERN Cc1cn2cc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])ccc2n1 ZINC001125545748 1372804068 /nfs/dbraw/zinc/80/40/68/1372804068.db2.gz MNNKWXBMMOXGRH-UHFFFAOYSA-N 0 0 342.330 3.261 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001126368179 1372961516 /nfs/dbraw/zinc/96/15/16/1372961516.db2.gz OJISGPNOLHEKNP-GBJTYRQASA-N 0 0 331.416 3.114 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1(C)C ZINC001126450143 1372966230 /nfs/dbraw/zinc/96/62/30/1372966230.db2.gz BSQYTSHQHJGSFV-CABCVRRESA-N 0 0 334.416 3.487 10 5 EGBERN CCc1ccc(C(=O)NC[C@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001126521275 1372971503 /nfs/dbraw/zinc/97/15/03/1372971503.db2.gz DNCOFPLGBJARBK-LBPRGKRZSA-N 0 0 346.358 3.494 10 5 EGBERN Cc1cc(F)c(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001126612125 1372983228 /nfs/dbraw/zinc/98/32/28/1372983228.db2.gz PYFYQCHOGXFBST-UHFFFAOYSA-N 0 0 332.306 3.266 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCc2c(F)cccc21 ZINC001126679440 1372997340 /nfs/dbraw/zinc/99/73/40/1372997340.db2.gz FUMHJBYNXKFKKX-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN COc1cc(C)cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001126688850 1372999215 /nfs/dbraw/zinc/99/92/15/1372999215.db2.gz LFQUBOQSUUQCBV-UHFFFAOYSA-N 0 0 326.352 3.376 10 5 EGBERN COc1cccc(C(F)(F)C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001126784035 1373022375 /nfs/dbraw/zinc/02/23/75/1373022375.db2.gz MMINUHPZUOBADW-UHFFFAOYSA-N 0 0 337.282 3.037 10 5 EGBERN Cc1cnc2cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)ccn12 ZINC001126879635 1373045292 /nfs/dbraw/zinc/04/52/92/1373045292.db2.gz GOSJXAIFLKOMKU-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1ccc(Cl)nc1 ZINC001126892749 1373048130 /nfs/dbraw/zinc/04/81/30/1373048130.db2.gz WNIHEUKLIXZRCB-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN CC(C)(NC(=O)c1csc(Cl)n1)c1ccc([N+](=O)[O-])cc1 ZINC001126918103 1373051854 /nfs/dbraw/zinc/05/18/54/1373051854.db2.gz COSCJBQTRVLVET-UHFFFAOYSA-N 0 0 325.777 3.370 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCOc2cccc(F)c21 ZINC001127119247 1373089466 /nfs/dbraw/zinc/08/94/66/1373089466.db2.gz WZHKYDBOUOOXOQ-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN C[C@@]1(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001127272372 1373110877 /nfs/dbraw/zinc/11/08/77/1373110877.db2.gz NAUUQWCNQXWKCA-QGZVFWFLSA-N 0 0 331.299 3.380 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)cc1[N+](=O)[O-] ZINC001127361828 1373119392 /nfs/dbraw/zinc/11/93/92/1373119392.db2.gz ZXYUGAYFOJZNBD-CVEARBPZSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cc(COC(=O)c2ccc(OC(F)F)nc2)ccc1[N+](=O)[O-] ZINC001127412376 1373125095 /nfs/dbraw/zinc/12/50/95/1373125095.db2.gz CGYDSMRYYPFOFG-UHFFFAOYSA-N 0 0 338.266 3.257 10 5 EGBERN Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)ccc1[N+](=O)[O-] ZINC001127548514 1373137998 /nfs/dbraw/zinc/13/79/98/1373137998.db2.gz IQDJWBUIKVLIIJ-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN CC[C@H](OC(=O)C(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001127710551 1373165673 /nfs/dbraw/zinc/16/56/73/1373165673.db2.gz NHGZPCVFWYDDHP-HNNXBMFYSA-N 0 0 343.335 3.481 10 5 EGBERN CC[C@@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC001127828338 1373187198 /nfs/dbraw/zinc/18/71/98/1373187198.db2.gz KHVLOKYSEIJVCZ-SUMWQHHRSA-N 0 0 343.383 3.128 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001128063353 1373213842 /nfs/dbraw/zinc/21/38/42/1373213842.db2.gz CPBDVMIKHJTQBV-CQSZACIVSA-N 0 0 348.399 3.470 10 5 EGBERN CC1(C)CCC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001128173283 1373228757 /nfs/dbraw/zinc/22/87/57/1373228757.db2.gz MZOIWYMBXJXMHR-WBMJQRKESA-N 0 0 345.399 3.173 10 5 EGBERN Cc1ccccc1-c1nc(C(=O)Nc2c([N+](=O)[O-])cnn2C)cs1 ZINC001128216396 1373236087 /nfs/dbraw/zinc/23/60/87/1373236087.db2.gz BHJFLHOPLRMXIO-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CCCCCc1ccc(F)cc1 ZINC001128217368 1373236413 /nfs/dbraw/zinc/23/64/13/1373236413.db2.gz WNROOAKXPGLUSJ-UHFFFAOYSA-N 0 0 334.351 3.209 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccsc1 ZINC001128488799 1373276960 /nfs/dbraw/zinc/27/69/60/1373276960.db2.gz URKBZGKOBNLILL-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN CSc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001128775075 1373310265 /nfs/dbraw/zinc/31/02/65/1373310265.db2.gz QRBLOQWSDJCTAP-UHFFFAOYSA-N 0 0 335.360 3.089 10 5 EGBERN CCN(C)C(=O)c1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001128825650 1373313716 /nfs/dbraw/zinc/31/37/16/1373313716.db2.gz SLEIKWAGKKOQLM-UHFFFAOYSA-N 0 0 345.330 3.078 10 5 EGBERN C/C(=C\c1ccncc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001128864108 1373317822 /nfs/dbraw/zinc/31/78/22/1373317822.db2.gz VJAKHFXTPIDDDF-BUHFOSPRSA-N 0 0 325.368 3.094 10 5 EGBERN CC[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001129035589 1373338746 /nfs/dbraw/zinc/33/87/46/1373338746.db2.gz BDSUOXPSPJERFL-KGLIPLIRSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(C(N)=O)c1 ZINC001129075778 1373343225 /nfs/dbraw/zinc/34/32/25/1373343225.db2.gz VTNHMPNZIFBFEA-UHFFFAOYSA-N 0 0 341.367 3.180 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001129084084 1373343986 /nfs/dbraw/zinc/34/39/86/1373343986.db2.gz PGGWLEQTRQIVDT-UHFFFAOYSA-N 0 0 330.344 3.405 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCC(OC(F)F)CC1 ZINC001129083210 1373344175 /nfs/dbraw/zinc/34/41/75/1373344175.db2.gz HJEJWVXSLIJOPW-UHFFFAOYSA-N 0 0 346.305 3.323 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCF ZINC001129150838 1373353919 /nfs/dbraw/zinc/35/39/19/1373353919.db2.gz YOEUXTNRFHOPEL-UHFFFAOYSA-N 0 0 347.346 3.261 10 5 EGBERN CCc1ccc(C(=O)NC[C@H](Cc2ccccc2)OC)cc1[N+](=O)[O-] ZINC001129162486 1373355707 /nfs/dbraw/zinc/35/57/07/1373355707.db2.gz IKNRAASGZGKVTA-KRWDZBQOSA-N 0 0 342.395 3.145 10 5 EGBERN CCNc1ccc(C(=O)Nc2ccnc(Cl)c2F)cc1[N+](=O)[O-] ZINC001129622571 1373403507 /nfs/dbraw/zinc/40/35/07/1373403507.db2.gz UPZQOZGGFONEPX-UHFFFAOYSA-N 0 0 338.726 3.466 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOc2c(F)c(F)ccc21 ZINC001129795269 1373424335 /nfs/dbraw/zinc/42/43/35/1373424335.db2.gz VHHHBGHSMKTCRL-FPYGCLRLSA-N 0 0 346.289 3.312 10 5 EGBERN CC(C)Oc1cncc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001130301193 1373487613 /nfs/dbraw/zinc/48/76/13/1373487613.db2.gz ITMOCTYWTYPYHX-UHFFFAOYSA-N 0 0 336.735 3.078 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001130318849 1373492051 /nfs/dbraw/zinc/49/20/51/1373492051.db2.gz UOPUXFLTFGYZQT-JKSUJKDBSA-N 0 0 336.363 3.120 10 5 EGBERN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001130440819 1373540480 /nfs/dbraw/zinc/54/04/80/1373540480.db2.gz IEZWKRKJJIAANJ-UHFFFAOYSA-N 0 0 328.353 3.119 10 5 EGBERN COc1cccc(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130954606 1373614513 /nfs/dbraw/zinc/61/45/13/1373614513.db2.gz DZGZPLRIXFGBEQ-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@H]1C[C@@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC001130956790 1373615409 /nfs/dbraw/zinc/61/54/09/1373615409.db2.gz HCUKRFICQOMNDW-JQWIXIFHSA-N 0 0 327.340 3.087 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC001131090122 1373641933 /nfs/dbraw/zinc/64/19/33/1373641933.db2.gz OGJCJNXZJGNKBM-GXTWGEPZSA-N 0 0 331.759 3.238 10 5 EGBERN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001131654186 1373746377 /nfs/dbraw/zinc/74/63/77/1373746377.db2.gz LFADEVNRJWMYHV-CRAIPNDOSA-N 0 0 348.399 3.009 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1 ZINC001131657429 1373747344 /nfs/dbraw/zinc/74/73/44/1373747344.db2.gz AVEMUWGIMFITII-JTQLQIEISA-N 0 0 341.323 3.241 10 5 EGBERN CCCCCCC(=O)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001188324680 1388290657 /nfs/dbraw/zinc/29/06/57/1388290657.db2.gz OFYIPQRJJQBQIP-UHFFFAOYSA-N 0 0 327.402 3.216 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cnc(-c2ccccc2)o1 ZINC001188538202 1388327465 /nfs/dbraw/zinc/32/74/65/1388327465.db2.gz ABZTYTBHXGWXLR-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN O=C(OCc1cnc(C2CC2)o1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001132179438 1375191683 /nfs/dbraw/zinc/19/16/83/1375191683.db2.gz QEUOKIZOUVECFM-UHFFFAOYSA-N 0 0 339.307 3.365 10 5 EGBERN Cc1ccc(Cn2nc(-c3ccccc3F)ccc2=O)cc1[N+](=O)[O-] ZINC001188736551 1388369976 /nfs/dbraw/zinc/36/99/76/1388369976.db2.gz PJCHJHINDXHLDQ-UHFFFAOYSA-N 0 0 339.326 3.314 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(ccc(C)c3C)s2)n1 ZINC001132457873 1375400498 /nfs/dbraw/zinc/40/04/98/1375400498.db2.gz XOCHMVLGZBJSCC-UHFFFAOYSA-N 0 0 345.384 3.290 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC001132637509 1375492635 /nfs/dbraw/zinc/49/26/35/1375492635.db2.gz QOZGOTDSMLJQSL-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN Cc1ccc(CNC(=O)c2[nH]nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001132640780 1375494388 /nfs/dbraw/zinc/49/43/88/1375494388.db2.gz HFNRNLOREBGZSA-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cncnc1C(C)C ZINC001132648690 1375497542 /nfs/dbraw/zinc/49/75/42/1375497542.db2.gz DOKXGKLFWHQKCU-UHFFFAOYSA-N 0 0 329.356 3.482 10 5 EGBERN Cc1cnc2cc(C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001132752591 1375548338 /nfs/dbraw/zinc/54/83/38/1375548338.db2.gz BSNAAVVQTWTUKE-LBPRGKRZSA-N 0 0 325.324 3.469 10 5 EGBERN C[C@H](NC(=O)c1ncnc2sccc21)c1ccccc1[N+](=O)[O-] ZINC001133111226 1375782404 /nfs/dbraw/zinc/78/24/04/1375782404.db2.gz CXLNRVUDTSOWCJ-VIFPVBQESA-N 0 0 328.353 3.091 10 5 EGBERN Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001133310846 1375915377 /nfs/dbraw/zinc/91/53/77/1375915377.db2.gz KMRMZKCJKXSYAT-JTQLQIEISA-N 0 0 346.314 3.262 10 5 EGBERN C[C@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001133479576 1376033397 /nfs/dbraw/zinc/03/33/97/1376033397.db2.gz GFZSEGYJTGOPAM-ZWXCPPHNSA-N 0 0 348.362 3.429 10 5 EGBERN COc1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)ccc1Cl ZINC001188950681 1388418042 /nfs/dbraw/zinc/41/80/42/1388418042.db2.gz AWZYMPQEHKRDCU-UHFFFAOYSA-N 0 0 329.139 3.120 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC001133547378 1376077760 /nfs/dbraw/zinc/07/77/60/1376077760.db2.gz NPUWVKPZCJBFIB-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001133654152 1376140522 /nfs/dbraw/zinc/14/05/22/1376140522.db2.gz CXVINGGKUHGXAV-SNVBAGLBSA-N 0 0 328.324 3.198 10 5 EGBERN Cc1cccc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001133701484 1376165408 /nfs/dbraw/zinc/16/54/08/1376165408.db2.gz FJAAIJCKFJCGSH-ZFWWWQNUSA-N 0 0 330.315 3.105 10 5 EGBERN CCn1cc(Cl)c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])n1 ZINC001133955257 1376283921 /nfs/dbraw/zinc/28/39/21/1376283921.db2.gz SRAIPIZBHDDHGW-UHFFFAOYSA-N 0 0 340.792 3.439 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001134495762 1376569179 /nfs/dbraw/zinc/56/91/79/1376569179.db2.gz QHXOWTXICWDMIC-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN Cc1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001134589326 1376612809 /nfs/dbraw/zinc/61/28/09/1376612809.db2.gz XRZAHTIMDCLFSC-UHFFFAOYSA-N 0 0 338.323 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2cnco2)cc1 ZINC001134771817 1376712290 /nfs/dbraw/zinc/71/22/90/1376712290.db2.gz PLZDETHGIFDXMN-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ncc(Cl)cn1 ZINC001135041661 1376864390 /nfs/dbraw/zinc/86/43/90/1376864390.db2.gz ZPPQZTXZCSFCCT-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=C(Nc1ccnc(-n2cccn2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001135073771 1376880732 /nfs/dbraw/zinc/88/07/32/1376880732.db2.gz YNUKJTGRQGALEP-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(C(C)C)ccc3C2)n1 ZINC001135305994 1377028636 /nfs/dbraw/zinc/02/86/36/1377028636.db2.gz NNQZEIZOYUTPEE-UHFFFAOYSA-N 0 0 342.399 3.133 10 5 EGBERN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001135556871 1377143521 /nfs/dbraw/zinc/14/35/21/1377143521.db2.gz XFTVVPACLCMOAS-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001265724121 1377163861 /nfs/dbraw/zinc/16/38/61/1377163861.db2.gz HHLUIFXWDXXPKE-GWCFXTLKSA-N 0 0 330.388 3.416 10 5 EGBERN Cc1ccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001135640513 1377172029 /nfs/dbraw/zinc/17/20/29/1377172029.db2.gz JDTJKMDRAQPGCQ-UHFFFAOYSA-N 0 0 345.424 3.149 10 5 EGBERN O=C(Nc1cccc(-n2cccc2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136162527 1377359727 /nfs/dbraw/zinc/35/97/27/1377359727.db2.gz VWDZXXYPNBNBKZ-QGZVFWFLSA-N 0 0 337.335 3.058 10 5 EGBERN CCc1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001136266615 1377369934 /nfs/dbraw/zinc/36/99/34/1377369934.db2.gz WKSTVCIFBCJAFP-DYVFJYSZSA-N 0 0 334.416 3.482 10 5 EGBERN CC(C)(C)[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001136302339 1377375126 /nfs/dbraw/zinc/37/51/26/1377375126.db2.gz FKZRSAYNAWMYEX-GFCCVEGCSA-N 0 0 336.779 3.489 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)o1 ZINC001137037017 1377462842 /nfs/dbraw/zinc/46/28/42/1377462842.db2.gz MFPARYYAFNXSOA-GWCFXTLKSA-N 0 0 344.371 3.087 10 5 EGBERN CC(C)(O)c1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001138328126 1377702792 /nfs/dbraw/zinc/70/27/92/1377702792.db2.gz XVLBRAIATIZNBZ-UHFFFAOYSA-N 0 0 332.331 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)n1 ZINC001139517512 1377895888 /nfs/dbraw/zinc/89/58/88/1377895888.db2.gz RAVIAVZVIJNZBT-HDJSIYSDSA-N 0 0 325.368 3.283 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001139892834 1377973228 /nfs/dbraw/zinc/97/32/28/1377973228.db2.gz VVHBPOGMOABKLO-AAEUAGOBSA-N 0 0 349.749 3.255 10 5 EGBERN Cc1cccnc1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141260763 1378286708 /nfs/dbraw/zinc/28/67/08/1378286708.db2.gz YOQPDIOVVCVALO-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN C[C@@H](C(=O)NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141575543 1378345932 /nfs/dbraw/zinc/34/59/32/1378345932.db2.gz HPQHFDSVXXWASF-KTLBGCOUSA-N 0 0 329.331 3.062 10 5 EGBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1 ZINC001142255611 1378425442 /nfs/dbraw/zinc/42/54/42/1378425442.db2.gz ZXOSCWZBEJWVAB-LBPRGKRZSA-N 0 0 334.763 3.195 10 5 EGBERN O=C(NC[C@@H](O)c1cccc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001146899047 1378942427 /nfs/dbraw/zinc/94/24/27/1378942427.db2.gz HUNVOEJWRVKKDH-OAHLLOKOSA-N 0 0 342.376 3.273 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCC1SCCS1 ZINC001148860771 1379284898 /nfs/dbraw/zinc/28/48/98/1379284898.db2.gz XTCMDXVVZXVRND-UHFFFAOYSA-N 0 0 346.861 3.103 10 5 EGBERN CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(C)C ZINC001149201611 1379344957 /nfs/dbraw/zinc/34/49/57/1379344957.db2.gz BYXFNWXDJBYAKK-CVEARBPZSA-N 0 0 349.431 3.350 10 5 EGBERN CCc1[nH]c(=O)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC001149274175 1379357144 /nfs/dbraw/zinc/35/71/44/1379357144.db2.gz SDBNJDUKAXFMLL-UHFFFAOYSA-N 0 0 343.383 3.231 10 5 EGBERN CC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001150944165 1379637351 /nfs/dbraw/zinc/63/73/51/1379637351.db2.gz BDJGYTREKZBNLX-SMDDNHRTSA-N 0 0 328.372 3.293 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccc(Cl)cc21 ZINC001151005178 1379647101 /nfs/dbraw/zinc/64/71/01/1379647101.db2.gz RYLPOGBNWNLNJE-UHFFFAOYSA-N 0 0 347.758 3.287 10 5 EGBERN O=C(NCc1cc2cnccc2o1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001152678449 1379969228 /nfs/dbraw/zinc/96/92/28/1379969228.db2.gz QXPWITLCOINUDR-UHFFFAOYSA-N 0 0 336.307 3.147 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCc2cc(F)c(F)cc2C1 ZINC001153413427 1380073266 /nfs/dbraw/zinc/07/32/66/1380073266.db2.gz ZTRYVMXWIJQXHA-UHFFFAOYSA-N 0 0 336.269 3.211 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC001154340042 1380259322 /nfs/dbraw/zinc/25/93/22/1380259322.db2.gz BZVXCWUNOGDMBT-ZBFHGGJFSA-N 0 0 348.786 3.490 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H]1c1ccccc1 ZINC001154728068 1380341306 /nfs/dbraw/zinc/34/13/06/1380341306.db2.gz QETAUURJYMPBQS-SJKOYZFVSA-N 0 0 325.368 3.400 10 5 EGBERN CC[C@H]1CCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845406 1380363640 /nfs/dbraw/zinc/36/36/40/1380363640.db2.gz TXYKNIFWMZMGKX-GXTWGEPZSA-N 0 0 344.415 3.346 10 5 EGBERN CCSc1c[nH]c(=O)c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001154946445 1380379411 /nfs/dbraw/zinc/37/94/11/1380379411.db2.gz WBXYFUVVBXFIFM-JTQLQIEISA-N 0 0 347.396 3.298 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C)Cc1ccsc1 ZINC001155016449 1380392338 /nfs/dbraw/zinc/39/23/38/1380392338.db2.gz PDTYOAZVPGPUBE-LLVKDONJSA-N 0 0 333.413 3.332 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC001155957295 1380508063 /nfs/dbraw/zinc/50/80/63/1380508063.db2.gz BJFXFXWLBYQTBJ-XHDPSFHLSA-N 0 0 349.749 3.255 10 5 EGBERN CC1(C)C2CCC1(C(=O)NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001155978241 1380509892 /nfs/dbraw/zinc/50/98/92/1380509892.db2.gz VOPDTCSHSWWRAA-UHFFFAOYSA-N 0 0 342.399 3.304 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2cnn(C3CCCC3)c2)c1[N+](=O)[O-] ZINC001156030654 1380514330 /nfs/dbraw/zinc/51/43/30/1380514330.db2.gz WBYGZTCFZFQRET-UHFFFAOYSA-N 0 0 332.364 3.005 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328170988 1388684610 /nfs/dbraw/zinc/68/46/10/1388684610.db2.gz JMOYPQYODZTKQT-UHFFFAOYSA-N 0 0 341.358 3.344 10 5 EGBERN CNc1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001157576330 1380970287 /nfs/dbraw/zinc/97/02/87/1380970287.db2.gz XVBQPJKYYZHHOG-MHMFGPJMSA-N 0 0 329.400 3.145 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])C2 ZINC001287838611 1381378756 /nfs/dbraw/zinc/37/87/56/1381378756.db2.gz GAEUKVSGYBDTAY-UHFFFAOYSA-N 0 0 344.392 3.481 10 5 EGBERN Cc1ccc(CNC(=O)c2noc3c2CC(C)(C)CC3)cc1[N+](=O)[O-] ZINC001287961633 1381449849 /nfs/dbraw/zinc/44/98/49/1381449849.db2.gz ARGWNHVPTWPOGL-UHFFFAOYSA-N 0 0 343.383 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc2c(c1)N(C)CCO2 ZINC001287971286 1381456155 /nfs/dbraw/zinc/45/61/55/1381456155.db2.gz HKJONHSSZAGVCV-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C ZINC001158973984 1381493331 /nfs/dbraw/zinc/49/33/31/1381493331.db2.gz RMKSNIPCXIJVBO-PBHICJAKSA-N 0 0 336.432 3.231 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC001288215666 1381731099 /nfs/dbraw/zinc/73/10/99/1381731099.db2.gz DGVHWDXUSQETSD-MNOVXSKESA-N 0 0 333.369 3.111 10 5 EGBERN CNC(=O)Nc1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001288223694 1381737169 /nfs/dbraw/zinc/73/71/69/1381737169.db2.gz ZYYYHEOKPXPFOT-LLVKDONJSA-N 0 0 343.339 3.264 10 5 EGBERN O=C(NCc1cccc2ncccc12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001288610480 1381894584 /nfs/dbraw/zinc/89/45/84/1381894584.db2.gz XXFDIRBVHXUWEL-UHFFFAOYSA-N 0 0 343.289 3.351 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288748995 1381924011 /nfs/dbraw/zinc/92/40/11/1381924011.db2.gz GTSXCHPJIYPEHI-SNVBAGLBSA-N 0 0 347.302 3.442 10 5 EGBERN Cn1cnc2cc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC001288890778 1381960713 /nfs/dbraw/zinc/96/07/13/1381960713.db2.gz XYSVQFITXGLDNZ-UHFFFAOYSA-N 0 0 344.758 3.065 10 5 EGBERN COc1ccc([S@@](C)(=O)=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001289027160 1381973519 /nfs/dbraw/zinc/97/35/19/1381973519.db2.gz LHLIVDFVEWFUMZ-XMMPIXPASA-N 0 0 348.380 3.209 10 5 EGBERN C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC001289029936 1381973984 /nfs/dbraw/zinc/97/39/84/1381973984.db2.gz QVKKFBLAHZOHHM-OAQYLSRUSA-N 0 0 328.346 3.093 10 5 EGBERN COc1ccc([S@@](C)(=O)=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001289029720 1381974274 /nfs/dbraw/zinc/97/42/74/1381974274.db2.gz ZRAWGNHFEOMYMI-XMMPIXPASA-N 0 0 348.380 3.209 10 5 EGBERN Cc1cccc(C(=O)N=[S@@](C)(=O)c2ccccc2F)c1[N+](=O)[O-] ZINC001289706760 1382008690 /nfs/dbraw/zinc/00/86/90/1382008690.db2.gz JETBWVWMUIFSGW-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN CC(C)c1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)no1 ZINC001289935439 1382028006 /nfs/dbraw/zinc/02/80/06/1382028006.db2.gz JDQURZLSLJLAMK-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN Nc1ccc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cc1[N+](=O)[O-] ZINC001160702759 1382174499 /nfs/dbraw/zinc/17/44/99/1382174499.db2.gz MOJWGCWUXPQUKD-CQSZACIVSA-N 0 0 349.293 3.216 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC001160727391 1382180246 /nfs/dbraw/zinc/18/02/46/1382180246.db2.gz NTRAFYVZNMCWNV-MDZLAQPJSA-N 0 0 343.387 3.391 10 5 EGBERN CC/C=C\Cn1c(CC)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001293708313 1382345942 /nfs/dbraw/zinc/34/59/42/1382345942.db2.gz VLHBPJDSWNWZAG-TWGQIWQCSA-N 0 0 329.404 3.351 10 5 EGBERN O=C(NCc1cccc(N2CC=CC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001293781324 1382357110 /nfs/dbraw/zinc/35/71/10/1382357110.db2.gz YLBSDBSUWJJGNA-UHFFFAOYSA-N 0 0 341.342 3.040 10 5 EGBERN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001293869228 1382379653 /nfs/dbraw/zinc/37/96/53/1382379653.db2.gz HIVOJJKWIRHLJW-LBPRGKRZSA-N 0 0 336.779 3.489 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N(CCCO)Cc1ccccc1 ZINC001294739489 1382489126 /nfs/dbraw/zinc/48/91/26/1382489126.db2.gz AKBXCLJEBOBWJP-UHFFFAOYSA-N 0 0 348.786 3.273 10 5 EGBERN Cc1cc(COC(=O)c2cccc3c2COCC3)ccc1[N+](=O)[O-] ZINC001328618383 1388790145 /nfs/dbraw/zinc/79/01/45/1388790145.db2.gz DXESAHXYWIDXGG-UHFFFAOYSA-N 0 0 327.336 3.333 10 5 EGBERN CC(C)C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC001294957395 1382525772 /nfs/dbraw/zinc/52/57/72/1382525772.db2.gz ATTGPLDMVWEOLV-HNNXBMFYSA-N 0 0 333.432 3.316 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)OC)C(C)C ZINC001295161746 1382559343 /nfs/dbraw/zinc/55/93/43/1382559343.db2.gz QROYZQKFAQFHEV-ZDUSSCGKSA-N 0 0 347.419 3.123 10 5 EGBERN Cc1nc(Oc2ccc(NC(=O)c3ccco3)cc2)ncc1[N+](=O)[O-] ZINC001161956831 1382571110 /nfs/dbraw/zinc/57/11/10/1382571110.db2.gz ASWMQTTZEXXSGW-UHFFFAOYSA-N 0 0 340.295 3.331 10 5 EGBERN Cc1ccncc1[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001295582855 1382733596 /nfs/dbraw/zinc/73/35/96/1382733596.db2.gz PNPBRSBPKVBTKK-VIFPVBQESA-N 0 0 334.763 3.025 10 5 EGBERN CCC[C@H](CCO)CNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001162631746 1382816777 /nfs/dbraw/zinc/81/67/77/1382816777.db2.gz RLOHHFCAOJZUKL-CYBMUJFWSA-N 0 0 338.404 3.291 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccc(F)cc1 ZINC001163025585 1382950838 /nfs/dbraw/zinc/95/08/38/1382950838.db2.gz KUSNQXLBSYGAGW-AWEZNQCLSA-N 0 0 335.722 3.215 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(C(F)(F)F)n3)nc2c1 ZINC001163334858 1383024775 /nfs/dbraw/zinc/02/47/75/1383024775.db2.gz NZVADQGQVGOVMY-UHFFFAOYSA-N 0 0 337.261 3.497 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)c(SC)c2)n1 ZINC001163473614 1383059685 /nfs/dbraw/zinc/05/96/85/1383059685.db2.gz VGWDABUZSUUSOQ-UHFFFAOYSA-N 0 0 349.368 3.251 10 5 EGBERN Cc1ccc(Br)c(CNc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC001163519751 1383071289 /nfs/dbraw/zinc/07/12/89/1383071289.db2.gz QITWPQXRNDBFLE-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(OCCSc2cc(C(F)F)ncn2)cc1 ZINC001163807984 1383124398 /nfs/dbraw/zinc/12/43/98/1383124398.db2.gz GXIKOFJNXCMOAR-UHFFFAOYSA-N 0 0 327.312 3.494 10 5 EGBERN CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001164084301 1383154609 /nfs/dbraw/zinc/15/46/09/1383154609.db2.gz CUPJVLDBEWXEQG-SCLBCKFNSA-N 0 0 347.415 3.288 10 5 EGBERN Cn1cnc2cc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc21 ZINC001164153026 1383161366 /nfs/dbraw/zinc/16/13/66/1383161366.db2.gz YBBALEAGCLCOOC-UHFFFAOYSA-N 0 0 327.300 3.002 10 5 EGBERN CNc1cc(CNc2c(Br)cccc2[N+](=O)[O-])ccn1 ZINC001164191082 1383164662 /nfs/dbraw/zinc/16/46/62/1383164662.db2.gz XAETULNRTZFFTJ-UHFFFAOYSA-N 0 0 337.177 3.406 10 5 EGBERN COc1cc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC001164672843 1383216329 /nfs/dbraw/zinc/21/63/29/1383216329.db2.gz JJWPVNLMOAJYOQ-UHFFFAOYSA-N 0 0 335.381 3.194 10 5 EGBERN COc1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)ccc1Cl ZINC001165446953 1383297855 /nfs/dbraw/zinc/29/78/55/1383297855.db2.gz ZYXDEOQXGFKDAM-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001297996830 1383324021 /nfs/dbraw/zinc/32/40/21/1383324021.db2.gz WLRUEGNRTVXZEI-UHFFFAOYSA-N 0 0 334.322 3.083 10 5 EGBERN Cc1nn(CCCc2nc3ccccc3[nH]2)c2ncc([N+](=O)[O-])cc12 ZINC001165736001 1383334926 /nfs/dbraw/zinc/33/49/26/1383334926.db2.gz SKPQILAQWIJHFY-UHFFFAOYSA-N 0 0 336.355 3.157 10 5 EGBERN COc1cc(Cl)ccc1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001165736263 1383335949 /nfs/dbraw/zinc/33/59/49/1383335949.db2.gz VIVOCSHUGVYLJI-UHFFFAOYSA-N 0 0 332.747 3.358 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001165893906 1383358351 /nfs/dbraw/zinc/35/83/51/1383358351.db2.gz MQGBEWIDLSWKHE-UHFFFAOYSA-N 0 0 343.726 3.342 10 5 EGBERN CO[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC001298157254 1383379883 /nfs/dbraw/zinc/37/98/83/1383379883.db2.gz HPPTVKKYYUXIOC-CQSZACIVSA-N 0 0 340.807 3.064 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC001328775812 1388855137 /nfs/dbraw/zinc/85/51/37/1388855137.db2.gz NMJUFIRIVYJHCH-ONOSFVFSSA-N 0 0 330.718 3.412 10 5 EGBERN Nc1ccc(C(=O)N[C@H](CCc2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC001166886509 1383494224 /nfs/dbraw/zinc/49/42/24/1383494224.db2.gz VQCMRFSDVYOGKF-CQSZACIVSA-N 0 0 349.337 3.173 10 5 EGBERN Nc1nc(Cl)ccc1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398326 1383622775 /nfs/dbraw/zinc/62/27/75/1383622775.db2.gz YMHMBBRHEYJHAG-UHFFFAOYSA-N 0 0 346.774 3.209 10 5 EGBERN O=C(NCc1ccc(-c2cnco2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001299936804 1383636160 /nfs/dbraw/zinc/63/61/60/1383636160.db2.gz VQMBPMGSDMEYCS-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN O=C(NC1CCC(C2CCC2)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001301094822 1383695371 /nfs/dbraw/zinc/69/53/71/1383695371.db2.gz RXQBNNLTTKESBZ-UHFFFAOYSA-N 0 0 326.784 3.060 10 5 EGBERN O=C(NCc1cnccc1C(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC001301203513 1383700935 /nfs/dbraw/zinc/70/09/35/1383700935.db2.gz CFZDIWXGQREEKS-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001302925868 1383773743 /nfs/dbraw/zinc/77/37/43/1383773743.db2.gz HROVASLKAGPFGL-CQSZACIVSA-N 0 0 341.367 3.028 10 5 EGBERN C[C@@H](C(=O)NCc1nc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001302983702 1383776859 /nfs/dbraw/zinc/77/68/59/1383776859.db2.gz BWGPSEMRKCLHLK-SNVBAGLBSA-N 0 0 342.330 3.030 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)OC1 ZINC001303092037 1383782759 /nfs/dbraw/zinc/78/27/59/1383782759.db2.gz JDOHMOZBJRMLNN-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1csnc1OC ZINC001303231408 1383788509 /nfs/dbraw/zinc/78/85/09/1383788509.db2.gz PRFHIIHIWKXDKW-LLVKDONJSA-N 0 0 335.385 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001168309711 1383870052 /nfs/dbraw/zinc/87/00/52/1383870052.db2.gz OMTQNJHLKPCWAX-MNOVXSKESA-N 0 0 347.159 3.444 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)no1 ZINC001306476741 1383892441 /nfs/dbraw/zinc/89/24/41/1383892441.db2.gz VITFKODEHKHKQU-UHFFFAOYSA-N 0 0 338.323 3.216 10 5 EGBERN CC(=O)c1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001306850220 1383910354 /nfs/dbraw/zinc/91/03/54/1383910354.db2.gz KZHPOKYXSNDRRB-UHFFFAOYSA-N 0 0 332.743 3.381 10 5 EGBERN CC(C)COc1cccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001306936442 1383923280 /nfs/dbraw/zinc/92/32/80/1383923280.db2.gz RKAVCNMUDJUDFO-UHFFFAOYSA-N 0 0 329.356 3.472 10 5 EGBERN Cc1cc(Nc2ccncc2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC001306976075 1383928590 /nfs/dbraw/zinc/92/85/90/1383928590.db2.gz JEDYQKVANBMXRH-UHFFFAOYSA-N 0 0 327.262 3.405 10 5 EGBERN CCC[C@H](CCO)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001306979241 1383929190 /nfs/dbraw/zinc/92/91/90/1383929190.db2.gz NDDLUANWLUUPCE-SNVBAGLBSA-N 0 0 344.795 3.245 10 5 EGBERN C[C@H]1C[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001307080348 1383937801 /nfs/dbraw/zinc/93/78/01/1383937801.db2.gz LHGKXGUNEVTEIX-WDEREUQCSA-N 0 0 335.791 3.445 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001307112974 1383941841 /nfs/dbraw/zinc/94/18/41/1383941841.db2.gz URRQAGFMMQODLX-RDDDGLTNSA-N 0 0 325.702 3.311 10 5 EGBERN COc1cc(F)cc(C[C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])c1 ZINC001307138053 1383944411 /nfs/dbraw/zinc/94/44/11/1383944411.db2.gz HXQKVECZOVLQLA-NSHDSACASA-N 0 0 344.346 3.433 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cc(C)[nH]c(=O)c2)cc1C ZINC001307144506 1383944928 /nfs/dbraw/zinc/94/49/28/1383944928.db2.gz AUQJSVJSVPKVBL-UHFFFAOYSA-N 0 0 345.355 3.101 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC001307178691 1383951179 /nfs/dbraw/zinc/95/11/79/1383951179.db2.gz OMGQDOUBMDKQHX-JKSUJKDBSA-N 0 0 334.372 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001307181569 1383951567 /nfs/dbraw/zinc/95/15/67/1383951567.db2.gz KVTBXMLOQPXGHF-DOTOQJQBSA-N 0 0 343.339 3.205 10 5 EGBERN O=[N+]([O-])c1c(NCc2noc3ccc(F)cc32)nc2ccccn21 ZINC001307190331 1383953441 /nfs/dbraw/zinc/95/34/41/1383953441.db2.gz XNLJJPFBYSHKLU-UHFFFAOYSA-N 0 0 327.275 3.135 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCCC3CC3)c2c1 ZINC001307188748 1383953528 /nfs/dbraw/zinc/95/35/28/1383953528.db2.gz SQKATYMQXWVSSD-UHFFFAOYSA-N 0 0 330.344 3.465 10 5 EGBERN COc1cccc(-c2cc(CNc3ncc([N+](=O)[O-])cc3F)on2)c1 ZINC001307219456 1383959228 /nfs/dbraw/zinc/95/92/28/1383959228.db2.gz ZZBUZEIRCATJCM-UHFFFAOYSA-N 0 0 344.302 3.405 10 5 EGBERN CCc1noc([C@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001307224004 1383960646 /nfs/dbraw/zinc/96/06/46/1383960646.db2.gz DERUSEWJSZTZNI-UWVGGRQHSA-N 0 0 347.331 3.197 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](Cc2ccccc2)c2ccccn2)nc1 ZINC001307233490 1383962100 /nfs/dbraw/zinc/96/21/00/1383962100.db2.gz ANXXBHQCRCSVBB-HNNXBMFYSA-N 0 0 335.367 3.218 10 5 EGBERN Nc1nc(SCc2ccc(OC(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC001307345739 1383974473 /nfs/dbraw/zinc/97/44/73/1383974473.db2.gz QAIJMPJCMOSIBJ-UHFFFAOYSA-N 0 0 346.290 3.158 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(C)cc2F)c1 ZINC001307363487 1383977951 /nfs/dbraw/zinc/97/79/51/1383977951.db2.gz NRXNFMUDRRFGJW-UHFFFAOYSA-N 0 0 334.303 3.068 10 5 EGBERN CCC1(CC)CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307929829 1384058595 /nfs/dbraw/zinc/05/85/95/1384058595.db2.gz ZYGAJVYCVZQBML-UHFFFAOYSA-N 0 0 349.431 3.444 10 5 EGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001307970256 1384066199 /nfs/dbraw/zinc/06/61/99/1384066199.db2.gz HEAWDBKQNYLWON-SECBINFHSA-N 0 0 331.303 3.432 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CF)c3ccc(F)cc3)nc2c1 ZINC001308020173 1384076227 /nfs/dbraw/zinc/07/62/27/1384076227.db2.gz PYOSWRJVAXOOBM-OAHLLOKOSA-N 0 0 332.310 3.411 10 5 EGBERN COc1ccc(CN2CCC[C@@H]2c2nc(C)c(C)[nH]2)cc1[N+](=O)[O-] ZINC001308069875 1384084473 /nfs/dbraw/zinc/08/44/73/1384084473.db2.gz BXMMKEYNGHWTFM-CQSZACIVSA-N 0 0 330.388 3.280 10 5 EGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CCO1 ZINC001308166077 1384104275 /nfs/dbraw/zinc/10/42/75/1384104275.db2.gz HXLITSLDMALRLP-GHMZBOCLSA-N 0 0 343.221 3.357 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001312607865 1384359677 /nfs/dbraw/zinc/35/96/77/1384359677.db2.gz IGCVIPKCGAXELJ-ILXRZTDVSA-N 0 0 348.447 3.378 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001313154850 1384399985 /nfs/dbraw/zinc/39/99/85/1384399985.db2.gz HRNYUPZNSJCSSY-INIZCTEOSA-N 0 0 349.431 3.034 10 5 EGBERN O=C(N[C@@H]1CC12CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313248914 1384405078 /nfs/dbraw/zinc/40/50/78/1384405078.db2.gz AWOQNLVBEUWGMR-GDBMZVCRSA-N 0 0 329.400 3.426 10 5 EGBERN COc1cccc(F)c1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001313281481 1384406955 /nfs/dbraw/zinc/40/69/55/1384406955.db2.gz RRGIALGNEILYMA-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN Cc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cnc1C ZINC001176063506 1385474949 /nfs/dbraw/zinc/47/49/49/1385474949.db2.gz FVHMHLAGOBYEFZ-UHFFFAOYSA-N 0 0 328.372 3.437 10 5 EGBERN CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)NCCC1=CCCCC1 ZINC001176423587 1385583338 /nfs/dbraw/zinc/58/33/38/1385583338.db2.gz YIWMGQCOQQAPPL-UHFFFAOYSA-N 0 0 345.443 3.076 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001319071267 1385952571 /nfs/dbraw/zinc/95/25/71/1385952571.db2.gz OHGOCPLPIYVLEE-LLVKDONJSA-N 0 0 346.314 3.226 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1cccnc1 ZINC001177466221 1385966543 /nfs/dbraw/zinc/96/65/43/1385966543.db2.gz CQEXPMWVQOFJJC-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN Cc1nc(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)sc1C ZINC001319242541 1386022508 /nfs/dbraw/zinc/02/25/08/1386022508.db2.gz FDPNQUSROJOUHG-UHFFFAOYSA-N 0 0 339.804 3.180 10 5 EGBERN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CCOc2ccccc21 ZINC001178745179 1386293508 /nfs/dbraw/zinc/29/35/08/1386293508.db2.gz IAZUGWKLWBRTBI-QGZVFWFLSA-N 0 0 330.315 3.162 10 5 EGBERN CC1(C)C(C)(C)C1(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001179990884 1386660904 /nfs/dbraw/zinc/66/09/04/1386660904.db2.gz LJOKEAIHMUMWKK-UHFFFAOYSA-N 0 0 332.400 3.499 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC001180144943 1386713024 /nfs/dbraw/zinc/71/30/24/1386713024.db2.gz DLOYOLKRMRTAOU-OAHLLOKOSA-N 0 0 346.774 3.107 10 5 EGBERN Cc1cc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001181021202 1386918306 /nfs/dbraw/zinc/91/83/06/1386918306.db2.gz ABGBEDWLKNEVBC-ZDUSSCGKSA-N 0 0 341.367 3.050 10 5 EGBERN Cc1cccnc1/C=C/c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001322246625 1387119172 /nfs/dbraw/zinc/11/91/72/1387119172.db2.gz AXIJAWKHNVAHSK-CMDGGOBGSA-N 0 0 338.323 3.431 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCc2nccnc21 ZINC001329587717 1389168646 /nfs/dbraw/zinc/16/86/46/1389168646.db2.gz NOPSVJHDFXEZLR-JNSOCZORSA-N 0 0 339.351 3.409 10 5 EGBERN Nc1ccc(-c2noc([C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)n2)cc1[N+](=O)[O-] ZINC001330703804 1389503041 /nfs/dbraw/zinc/50/30/41/1389503041.db2.gz OEHSWYKBYMVPGW-KXUCPTDWSA-N 0 0 336.298 3.376 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001331194843 1389651000 /nfs/dbraw/zinc/65/10/00/1389651000.db2.gz FJYZFYMCPHOBLP-BNOWGMLFSA-N 0 0 338.354 3.422 10 5 EGBERN CC(=O)c1c(N(C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC001331271368 1389679368 /nfs/dbraw/zinc/67/93/68/1389679368.db2.gz LVRPXCUFFPJSEI-UHFFFAOYSA-N 0 0 330.388 3.454 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001331512170 1389777618 /nfs/dbraw/zinc/77/76/18/1389777618.db2.gz LUQQTAPILRFHMH-SGMGOOAPSA-N 0 0 346.383 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc([C@H]3CCCO3)o2)c(Br)c1 ZINC001331942078 1389920531 /nfs/dbraw/zinc/92/05/31/1389920531.db2.gz SGNVSEXRKIJJKK-SNVBAGLBSA-N 0 0 340.133 3.259 10 5 EGBERN C[C@](CO)(NC(=O)CCC[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001332231507 1390058017 /nfs/dbraw/zinc/05/80/17/1390058017.db2.gz HKKHBAVUOZIVON-MRXNPFEDSA-N 0 0 338.480 3.037 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2nccs2)C1 ZINC001332675090 1390147022 /nfs/dbraw/zinc/14/70/22/1390147022.db2.gz HEJISTODLBDXRI-NSHDSACASA-N 0 0 347.396 3.080 10 5 EGBERN Cc1nc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)sc1C ZINC001340696834 1390347701 /nfs/dbraw/zinc/34/77/01/1390347701.db2.gz PLBLOEKESLUEGE-UHFFFAOYSA-N 0 0 345.424 3.402 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(CCOc3ccccc3)o2)c(F)c1 ZINC001341613326 1390510026 /nfs/dbraw/zinc/51/00/26/1390510026.db2.gz XMBOMNGYWXTPKE-UHFFFAOYSA-N 0 0 329.287 3.405 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001334505887 1390548434 /nfs/dbraw/zinc/54/84/34/1390548434.db2.gz JFTBAOGSEKQTGP-DVVUODLYSA-N 0 0 330.718 3.412 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2c(C)cccc2F)cc1[N+](=O)[O-] ZINC001342586358 1390629324 /nfs/dbraw/zinc/62/93/24/1390629324.db2.gz JPZWLMYEWLAZCA-UHFFFAOYSA-N 0 0 333.271 3.048 10 5 EGBERN C[C@@H](C(=O)Oc1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001344239632 1390777320 /nfs/dbraw/zinc/77/73/20/1390777320.db2.gz CPNNERWJHZTJLN-LDYMZIIASA-N 0 0 344.161 3.078 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC001344402001 1390789213 /nfs/dbraw/zinc/78/92/13/1390789213.db2.gz GQYMUZQNTVTGLH-AWEZNQCLSA-N 0 0 332.356 3.263 10 5 EGBERN C[C@@H]([C@@H](OC(=O)c1ccnn1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC001345232401 1390850261 /nfs/dbraw/zinc/85/02/61/1390850261.db2.gz CNSMXKKJKZIFRO-MEDUHNTESA-N 0 0 347.346 3.311 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001346191457 1390914528 /nfs/dbraw/zinc/91/45/28/1390914528.db2.gz UDAXYJBFPQQOCH-XOKHGSTOSA-N 0 0 347.415 3.399 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC001346198554 1390914719 /nfs/dbraw/zinc/91/47/19/1390914719.db2.gz YRDXBNOUWFKGIB-NSHDSACASA-N 0 0 339.298 3.022 10 5 EGBERN CC1(/C=C/c2nnc(COc3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC001346637447 1390964835 /nfs/dbraw/zinc/96/48/35/1390964835.db2.gz AVLWCVLLAASDPF-VOTSOKGWSA-N 0 0 345.355 3.387 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001347370580 1391062315 /nfs/dbraw/zinc/06/23/15/1391062315.db2.gz OCDYMYLIAUWOTD-WBVHZDCISA-N 0 0 346.383 3.154 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CCc1cc(Br)cs1 ZINC001347430254 1391074073 /nfs/dbraw/zinc/07/40/73/1391074073.db2.gz KXCUXNPTFBNNKA-VIFPVBQESA-N 0 0 336.207 3.042 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ncc2cc(Cl)ccn21 ZINC001347741472 1391118075 /nfs/dbraw/zinc/11/80/75/1391118075.db2.gz FZPRLTKTDUYATK-UHFFFAOYSA-N 0 0 347.714 3.124 10 5 EGBERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001348015935 1391160434 /nfs/dbraw/zinc/16/04/34/1391160434.db2.gz WRAKHPGNSUZLID-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)CC1 ZINC001348139997 1391178413 /nfs/dbraw/zinc/17/84/13/1391178413.db2.gz TUIHMJBHRDNJGV-INIZCTEOSA-N 0 0 344.342 3.338 10 5 EGBERN O=C(Oc1ccc2c(c1)OCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001348395141 1391213502 /nfs/dbraw/zinc/21/35/02/1391213502.db2.gz VNUXCFBDJYRCLY-KBPBESRZSA-N 0 0 327.292 3.033 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001349056312 1391299532 /nfs/dbraw/zinc/29/95/32/1391299532.db2.gz JEIXVXLOBVBORB-WCQYABFASA-N 0 0 335.404 3.102 10 5 EGBERN O=C(OCc1c(F)cncc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349770624 1391364967 /nfs/dbraw/zinc/36/49/67/1391364967.db2.gz XJPQXPMGOWSEOF-RYUDHWBXSA-N 0 0 334.278 3.115 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001349825507 1391372935 /nfs/dbraw/zinc/37/29/35/1391372935.db2.gz LIKUYDDDRIEREF-CABCVRRESA-N 0 0 332.400 3.161 10 5 EGBERN O=C(NCCC1CCCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350197985 1391428718 /nfs/dbraw/zinc/42/87/18/1391428718.db2.gz DYUOKLVURMZGHM-KRWDZBQOSA-N 0 0 345.399 3.174 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCc2cc(F)ccc21 ZINC001350276574 1391440200 /nfs/dbraw/zinc/44/02/00/1391440200.db2.gz XLFCOPJZGYKTID-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(F)cc1 ZINC001350980910 1391572718 /nfs/dbraw/zinc/57/27/18/1391572718.db2.gz JHMXAUYVJWVZLA-UHFFFAOYSA-N 0 0 346.314 3.172 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1COC[C@H]1c1ccccc1 ZINC001351359455 1391631258 /nfs/dbraw/zinc/63/12/58/1391631258.db2.gz RXIRJAVFIQYQHU-KBPBESRZSA-N 0 0 330.315 3.103 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)cc1[N+](=O)[O-] ZINC001351387901 1391635713 /nfs/dbraw/zinc/63/57/13/1391635713.db2.gz GHXQXZODRJMNDX-LBPRGKRZSA-N 0 0 343.314 3.107 10 5 EGBERN COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001351586587 1391653714 /nfs/dbraw/zinc/65/37/14/1391653714.db2.gz XZTWQNBOXJAQTA-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN CS[C@H]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351781820 1391689701 /nfs/dbraw/zinc/68/97/01/1391689701.db2.gz NKKSDZUUZJKBBN-YUMQZZPRSA-N 0 0 338.355 3.067 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)COc1ccccc1 ZINC001352020403 1391745745 /nfs/dbraw/zinc/74/57/45/1391745745.db2.gz HYSKHSHHNRXKML-NSHDSACASA-N 0 0 332.331 3.240 10 5 EGBERN CC(C)Nc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC001352604202 1391821098 /nfs/dbraw/zinc/82/10/98/1391821098.db2.gz GWFCJYFKZKHEAR-UHFFFAOYSA-N 0 0 326.356 3.013 10 5 EGBERN C[C@H](NC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1[N+](=O)[O-] ZINC001352648676 1391828045 /nfs/dbraw/zinc/82/80/45/1391828045.db2.gz ZQCITDAARRCNSX-IUUKEHGRSA-N 0 0 330.384 3.167 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccnc(-n2cccc2)c1 ZINC001352649249 1391829341 /nfs/dbraw/zinc/82/93/41/1391829341.db2.gz UVNYGGHXWAEZPF-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN Cc1ccc(NC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001352704903 1391834619 /nfs/dbraw/zinc/83/46/19/1391834619.db2.gz WBRHMIUPNHHDCV-UHFFFAOYSA-N 0 0 349.387 3.099 10 5 EGBERN O=C(OCc1cccnc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001352794815 1391850338 /nfs/dbraw/zinc/85/03/38/1391850338.db2.gz LGMSKEVOLHOKIW-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C2CC2)cc1 ZINC001353030343 1391916486 /nfs/dbraw/zinc/91/64/86/1391916486.db2.gz FFDQFEMRRBMOKI-QGZVFWFLSA-N 0 0 325.368 3.488 10 5 EGBERN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353229767 1391966860 /nfs/dbraw/zinc/96/68/60/1391966860.db2.gz TZXXFSSXVLWIOJ-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN CNC(=O)Nc1cccc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 ZINC001353347877 1391993627 /nfs/dbraw/zinc/99/36/27/1391993627.db2.gz NYHREVUTAVJGSL-UHFFFAOYSA-N 0 0 343.339 3.182 10 5 EGBERN CSCCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001353845726 1392101939 /nfs/dbraw/zinc/10/19/39/1392101939.db2.gz QJKDYZGICVFLMM-UHFFFAOYSA-N 0 0 331.397 3.140 10 5 EGBERN Cc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2n1 ZINC001354023959 1392116184 /nfs/dbraw/zinc/11/61/84/1392116184.db2.gz UGEJQOQOCIWTRX-UHFFFAOYSA-N 0 0 339.326 3.194 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1coc(-c2cccnc2)n1 ZINC001354088825 1392119806 /nfs/dbraw/zinc/11/98/06/1392119806.db2.gz HQQONVZOBJNCHC-UHFFFAOYSA-N 0 0 325.280 3.172 10 5 EGBERN Cc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001354387881 1392141447 /nfs/dbraw/zinc/14/14/47/1392141447.db2.gz BCIHNAUFHDWLPB-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@]1(C)COc2ccccc2O1 ZINC001354532741 1392151019 /nfs/dbraw/zinc/15/10/19/1392151019.db2.gz BKCUHRYTPSBVMW-QGZVFWFLSA-N 0 0 329.308 3.039 10 5 EGBERN O=C(NCC1(c2ccc(F)cc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001354589518 1392154558 /nfs/dbraw/zinc/15/45/58/1392154558.db2.gz WXZOLDZJSQNDBD-UHFFFAOYSA-N 0 0 332.306 3.335 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001354627981 1392156920 /nfs/dbraw/zinc/15/69/20/1392156920.db2.gz JPBNPGDWXFSQCR-LBPRGKRZSA-N 0 0 326.352 3.329 10 5 EGBERN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOc2ccccc21 ZINC001355005174 1392184956 /nfs/dbraw/zinc/18/49/56/1392184956.db2.gz REFHSXLELGHGAE-QGZVFWFLSA-N 0 0 330.315 3.413 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccccn2)nc1 ZINC001355005493 1392184991 /nfs/dbraw/zinc/18/49/91/1392184991.db2.gz XIAQCXKILAJTHZ-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC001355055969 1392189832 /nfs/dbraw/zinc/18/98/32/1392189832.db2.gz OWUBRJGYGGQMDO-GFCCVEGCSA-N 0 0 346.314 3.247 10 5 EGBERN CCN(CCNC(=O)c1ccccc1C)Cc1ccccc1[N+](=O)[O-] ZINC001480959194 1393048335 /nfs/dbraw/zinc/04/83/35/1393048335.db2.gz KBQVQTYXHUFSAT-UHFFFAOYSA-N 0 0 341.411 3.155 10 5 EGBERN Cc1noc([C@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001687586832 1396416211 /nfs/dbraw/zinc/41/62/11/1396416211.db2.gz BEUIVDXLKHHUMF-IINYFYTJSA-N 0 0 347.375 3.044 10 5 EGBERN COC[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001687700622 1396463641 /nfs/dbraw/zinc/46/36/41/1396463641.db2.gz BRHSLKYNOSUXCP-CYBMUJFWSA-N 0 0 337.420 3.048 10 5 EGBERN CN(CCNC(=O)C1CCC(C)(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001691000919 1404918470 /nfs/dbraw/zinc/91/84/70/1404918470.db2.gz XWFCOZUNTCLQKQ-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN CC(C(=O)NCC1CN(Cc2csc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001692293274 1405923671 /nfs/dbraw/zinc/92/36/71/1405923671.db2.gz UNMMKMVWYPRFJA-UHFFFAOYSA-N 0 0 349.456 3.095 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@@H](C)C1 ZINC001730964745 1427185827 /nfs/dbraw/zinc/18/58/27/1427185827.db2.gz HETYLPPPSUKDGA-OLZOCXBDSA-N 0 0 345.403 3.287 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C2CC2)n1C1CC1 ZINC001767278706 1441405047 /nfs/dbraw/zinc/40/50/47/1441405047.db2.gz MBJLOGBEBOYMTE-UHFFFAOYSA-N 0 0 327.388 3.078 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000057926755 214465566 /nfs/dbraw/zinc/46/55/66/214465566.db2.gz XZSXLDRWMPGFBN-OAHLLOKOSA-N 0 0 340.445 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000183348374 235021737 /nfs/dbraw/zinc/02/17/37/235021737.db2.gz FTKANXIYYAYFAN-INIZCTEOSA-N 0 0 340.427 3.177 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000183983612 235278025 /nfs/dbraw/zinc/27/80/25/235278025.db2.gz AMLZOJLBFIOGLY-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN CCN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000037983975 202078027 /nfs/dbraw/zinc/07/80/27/202078027.db2.gz VPKDMFXBPQRDEI-MRVPVSSYSA-N 0 0 335.187 3.399 10 5 EGBERN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000025106159 202127329 /nfs/dbraw/zinc/12/73/29/202127329.db2.gz MWXOLVQRPSZNNZ-LLVKDONJSA-N 0 0 329.356 3.019 10 5 EGBERN C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000067650084 202208256 /nfs/dbraw/zinc/20/82/56/202208256.db2.gz ZPSCIKUDBAAIBU-SNVBAGLBSA-N 0 0 346.305 3.393 10 5 EGBERN Cc1cccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000032823987 202236449 /nfs/dbraw/zinc/23/64/49/202236449.db2.gz RCANCUXISFRWAY-ZDUSSCGKSA-N 0 0 325.368 3.293 10 5 EGBERN COc1cccc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1F ZINC000191369156 239070130 /nfs/dbraw/zinc/07/01/30/239070130.db2.gz PNGLQPOVNIXKDU-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC=C(Br)C2)c1 ZINC000282145619 201328176 /nfs/dbraw/zinc/32/81/76/201328176.db2.gz HXZJLZKRHUXVHY-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)n1ccc2ccccc21 ZINC000006584251 201362363 /nfs/dbraw/zinc/36/23/63/201362363.db2.gz UDIIMUJKSRTLJG-UHFFFAOYSA-N 0 0 336.756 3.440 10 5 EGBERN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1[N+](=O)[O-] ZINC000090367429 201370288 /nfs/dbraw/zinc/37/02/88/201370288.db2.gz PGGRUGRNMIXCLK-OAHLLOKOSA-N 0 0 345.336 3.282 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000193810316 240318611 /nfs/dbraw/zinc/31/86/11/240318611.db2.gz QDVVGAJXMUDXDG-AWEZNQCLSA-N 0 0 349.368 3.138 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344253456 241691379 /nfs/dbraw/zinc/69/13/79/241691379.db2.gz BUSZZNRJYKPOPT-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1ccc2cc3c(N)nn(C(=O)c4ccccc4[N+](=O)[O-])c3nc2c1 ZINC000004961904 201629763 /nfs/dbraw/zinc/62/97/63/201629763.db2.gz HPEXHWQMMFPDKF-UHFFFAOYSA-N 0 0 347.334 3.072 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCCC1 ZINC000065491760 202854002 /nfs/dbraw/zinc/85/40/02/202854002.db2.gz DCMVQSOSNHYUEP-UHFFFAOYSA-N 0 0 328.372 3.478 10 5 EGBERN CSc1nnc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)s1 ZINC000069654206 203032236 /nfs/dbraw/zinc/03/22/36/203032236.db2.gz MTAZWNXXYXTLFH-UHFFFAOYSA-N 0 0 333.398 3.080 10 5 EGBERN Cc1nn([C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1[N+](=O)[O-] ZINC000069780612 203050561 /nfs/dbraw/zinc/05/05/61/203050561.db2.gz BLALABZDZZRWMS-CYBMUJFWSA-N 0 0 334.763 3.040 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000072451231 203226723 /nfs/dbraw/zinc/22/67/23/203226723.db2.gz ZLIYJQPGGHKCAO-UHFFFAOYSA-N 0 0 335.319 3.202 10 5 EGBERN Cc1cc2c(cc1C)O[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000074238265 203283673 /nfs/dbraw/zinc/28/36/73/203283673.db2.gz DODMQXVZVVNPCT-KRWDZBQOSA-N 0 0 326.352 3.178 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000075138892 203305932 /nfs/dbraw/zinc/30/59/32/203305932.db2.gz GYPZBKSTYVAAHN-CYBMUJFWSA-N 0 0 348.428 3.142 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000075389399 203313854 /nfs/dbraw/zinc/31/38/54/203313854.db2.gz IRPFIXFKKKXZHE-JSGCOSHPSA-N 0 0 346.387 3.083 10 5 EGBERN CCS[C@H]1CCCC[C@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000075105378 203301494 /nfs/dbraw/zinc/30/14/94/203301494.db2.gz MMTIGZNZAWCXEH-NEPJUHHUSA-N 0 0 348.428 3.079 10 5 EGBERN CCOc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000087253736 203556841 /nfs/dbraw/zinc/55/68/41/203556841.db2.gz CRIGIOLUBKXTCA-UHFFFAOYSA-N 0 0 346.358 3.382 10 5 EGBERN Cc1ncc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000103610480 204084336 /nfs/dbraw/zinc/08/43/36/204084336.db2.gz FYXBAGZEAUZSDY-UHFFFAOYSA-N 0 0 348.428 3.480 10 5 EGBERN COc1cc(-n2nc(C)c(Br)c2C)ccc1[N+](=O)[O-] ZINC000104243187 204102413 /nfs/dbraw/zinc/10/24/13/204102413.db2.gz KYTKIPLCFSUICL-UHFFFAOYSA-N 0 0 326.150 3.168 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000105852931 204171253 /nfs/dbraw/zinc/17/12/53/204171253.db2.gz PBULLAGYJMIJGB-HNNXBMFYSA-N 0 0 342.399 3.139 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119217119 204638532 /nfs/dbraw/zinc/63/85/32/204638532.db2.gz OINAILAVCJTRKO-LLVKDONJSA-N 0 0 348.380 3.385 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cn1 ZINC000124098841 204948509 /nfs/dbraw/zinc/94/85/09/204948509.db2.gz JXAAGADFTKWNLK-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000127351542 205096672 /nfs/dbraw/zinc/09/66/72/205096672.db2.gz XRMWEJAUFUNBIE-UHFFFAOYSA-N 0 0 336.369 3.259 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1[N+](=O)[O-] ZINC000152976789 205804714 /nfs/dbraw/zinc/80/47/14/205804714.db2.gz JRQPPMXYHLIDHB-ZENOOKHLSA-N 0 0 328.393 3.280 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264049111 246013934 /nfs/dbraw/zinc/01/39/34/246013934.db2.gz SDSLOTVEZLAHJH-MRXNPFEDSA-N 0 0 341.367 3.145 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157534468 206141659 /nfs/dbraw/zinc/14/16/59/206141659.db2.gz YBNKOEFHHACCJZ-OAHLLOKOSA-N 0 0 334.397 3.109 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2cccs2)C1 ZINC000157920950 206163467 /nfs/dbraw/zinc/16/34/67/206163467.db2.gz IDJLWECYMTTWMP-HNNXBMFYSA-N 0 0 334.397 3.109 10 5 EGBERN O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408077178 284482545 /nfs/dbraw/zinc/48/25/45/284482545.db2.gz UENOXJUXDUDZOC-KBRIMQKVSA-N 0 0 343.427 3.481 10 5 EGBERN COc1ccc(CNC(=O)C(C)(C)c2cccs2)cc1[N+](=O)[O-] ZINC000265173576 247269744 /nfs/dbraw/zinc/26/97/44/247269744.db2.gz JDOVCKUVOZBECJ-UHFFFAOYSA-N 0 0 334.397 3.259 10 5 EGBERN CCN(CCc1nccs1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000162296263 206395372 /nfs/dbraw/zinc/39/53/72/206395372.db2.gz QSHPQYAUPGWEHZ-GFCCVEGCSA-N 0 0 348.428 3.387 10 5 EGBERN CC(C)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000093611917 218236700 /nfs/dbraw/zinc/23/67/00/218236700.db2.gz LZQFCCUCBKWRHU-AWEZNQCLSA-N 0 0 332.322 3.217 10 5 EGBERN CCc1nc(C2(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000175128113 207096205 /nfs/dbraw/zinc/09/62/05/207096205.db2.gz AGBKCIDVYBBWCS-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175217576 207105408 /nfs/dbraw/zinc/10/54/08/207105408.db2.gz LYRZYBJDXZJYHB-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000268245767 251759137 /nfs/dbraw/zinc/75/91/37/251759137.db2.gz SIBMKDCICSCZOJ-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN CN(Cc1ccc(Cl)nc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177624012 207366066 /nfs/dbraw/zinc/36/60/66/207366066.db2.gz FVTXYTZHZYOEAN-UHFFFAOYSA-N 0 0 349.774 3.142 10 5 EGBERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177944418 207421140 /nfs/dbraw/zinc/42/11/40/207421140.db2.gz DDDBAYZFSOEBGS-SJKOYZFVSA-N 0 0 345.399 3.257 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000097046786 285116323 /nfs/dbraw/zinc/11/63/23/285116323.db2.gz WMEALWWYDHJVQS-IBGZPJMESA-N 0 0 342.395 3.037 10 5 EGBERN CCn1c(SC[C@@H](C)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000269019083 255514842 /nfs/dbraw/zinc/51/48/42/255514842.db2.gz NNXGCMATBLYARF-SNVBAGLBSA-N 0 0 334.401 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3ccccc3)CC2)c1F ZINC000277611772 135637811 /nfs/dbraw/zinc/63/78/11/135637811.db2.gz YBZRCBZDMVBCPH-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN Cc1ncsc1-c1nc(CSc2ccc([N+](=O)[O-])cn2)no1 ZINC000159663976 140943907 /nfs/dbraw/zinc/94/39/07/140943907.db2.gz FHDFQAXIGIAHBP-UHFFFAOYSA-N 0 0 335.370 3.097 10 5 EGBERN O=[N+]([O-])c1c[nH]c(-c2csc(Cc3cn4ccccc4n3)n2)c1 ZINC000344467483 141158818 /nfs/dbraw/zinc/15/88/18/141158818.db2.gz DJGCTZQEPRRMNY-UHFFFAOYSA-N 0 0 325.353 3.285 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC12CCC2 ZINC000344555553 141172572 /nfs/dbraw/zinc/17/25/72/141172572.db2.gz VSQYCZIDNHTLQN-UHFFFAOYSA-N 0 0 336.413 3.102 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(F)(F)F ZINC000346436987 141194468 /nfs/dbraw/zinc/19/44/68/141194468.db2.gz ODVPWGXJUQTDLV-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CCOc1ccc(-c2nc(Cc3cncs3)no2)cc1[N+](=O)[O-] ZINC000350479732 141248168 /nfs/dbraw/zinc/24/81/68/141248168.db2.gz SNFNEWSYTFQRHL-UHFFFAOYSA-N 0 0 332.341 3.091 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000353331992 141288919 /nfs/dbraw/zinc/28/89/19/141288919.db2.gz RSRFFBFWQHRUSK-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000356824523 141349641 /nfs/dbraw/zinc/34/96/41/141349641.db2.gz CMPWAKVAOPWQDG-SECBINFHSA-N 0 0 349.265 3.224 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OC)cc1Cl ZINC000359592682 141381082 /nfs/dbraw/zinc/38/10/82/141381082.db2.gz PABKCTICLPKPNQ-UHFFFAOYSA-N 0 0 338.795 3.436 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCc3ccnc(OC(F)F)c3)ccc2c1 ZINC000343137782 142641467 /nfs/dbraw/zinc/64/14/67/142641467.db2.gz ASWZAXGISXRKPY-UHFFFAOYSA-N 0 0 346.293 3.173 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccncc2)s1 ZINC000172719899 144026220 /nfs/dbraw/zinc/02/62/20/144026220.db2.gz VCYWKOKRIUTVAA-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000173269798 144038467 /nfs/dbraw/zinc/03/84/67/144038467.db2.gz ISBAYJPFYPLKAJ-LLVKDONJSA-N 0 0 326.418 3.255 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000184329078 144091228 /nfs/dbraw/zinc/09/12/28/144091228.db2.gz CFWYWXHVOULQTE-CQSZACIVSA-N 0 0 343.358 3.163 10 5 EGBERN O=C(CN1Cc2ccccc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186179821 144127240 /nfs/dbraw/zinc/12/72/40/144127240.db2.gz OTIXKKFDFWRPAT-UHFFFAOYSA-N 0 0 337.379 3.081 10 5 EGBERN CC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000187893183 144166021 /nfs/dbraw/zinc/16/60/21/144166021.db2.gz RWHXDRWDFZZFFM-LLVKDONJSA-N 0 0 335.385 3.249 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nc1-c1ccccc1F ZINC000345523902 144247916 /nfs/dbraw/zinc/24/79/16/144247916.db2.gz NWWPQTUJQFOTFD-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC3CCC2CC3)cc1OC ZINC000351696908 144291756 /nfs/dbraw/zinc/29/17/56/144291756.db2.gz YGMOVFAQYSCLHJ-YIZWMMSDSA-N 0 0 348.399 3.311 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COC1CCC(C)CC1 ZINC000361570118 144330301 /nfs/dbraw/zinc/33/03/01/144330301.db2.gz AHEUOOMGCLKNCH-UYJPIKCFSA-N 0 0 332.400 3.468 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(c2ccccc2F)C1 ZINC000361707030 144352690 /nfs/dbraw/zinc/35/26/90/144352690.db2.gz DVRJPVYNGPZDOZ-UHFFFAOYSA-N 0 0 345.330 3.374 10 5 EGBERN CC(=O)NCc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)o1 ZINC000363835305 144370308 /nfs/dbraw/zinc/37/03/08/144370308.db2.gz NHBUUXCROPULLE-INIZCTEOSA-N 0 0 347.346 3.305 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1OCCC2=O ZINC000370000550 144464981 /nfs/dbraw/zinc/46/49/81/144464981.db2.gz YAPGNYAYPOTXGC-UHFFFAOYSA-N 0 0 326.308 3.121 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1[N+](=O)[O-] ZINC000341283673 155228605 /nfs/dbraw/zinc/22/86/05/155228605.db2.gz KHEDMNMWEBEHMU-BZNIZROVSA-N 0 0 328.393 3.489 10 5 EGBERN C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000408161370 299720272 /nfs/dbraw/zinc/72/02/72/299720272.db2.gz YRCFSKSLIFTYGL-NSHDSACASA-N 0 0 328.372 3.045 10 5 EGBERN COc1ncc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000341473820 155312540 /nfs/dbraw/zinc/31/25/40/155312540.db2.gz HPXJZHUAXQGFHV-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN Cc1c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)oc2ccccc12 ZINC000115395959 152010437 /nfs/dbraw/zinc/01/04/37/152010437.db2.gz HYJUMXWHUNABCV-UHFFFAOYSA-N 0 0 343.314 3.301 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000117225656 152091535 /nfs/dbraw/zinc/09/15/35/152091535.db2.gz YVDQLLKKPYVPFR-OLZOCXBDSA-N 0 0 338.429 3.398 10 5 EGBERN COC(=O)[C@@H](C)CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000121105962 152325428 /nfs/dbraw/zinc/32/54/28/152325428.db2.gz DMFRGKDQZILJBW-ZDUSSCGKSA-N 0 0 348.424 3.468 10 5 EGBERN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122185365 152395358 /nfs/dbraw/zinc/39/53/58/152395358.db2.gz RAAWZLBCTQRWBA-OAHLLOKOSA-N 0 0 330.388 3.106 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(F)ccc2Br)c1=O ZINC000155932414 152648227 /nfs/dbraw/zinc/64/82/27/152648227.db2.gz QBZBIMMFSRRJHG-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN CCOc1ccc(C(=O)N(C)Cc2ncc(CC)s2)cc1[N+](=O)[O-] ZINC000175871837 152893623 /nfs/dbraw/zinc/89/36/23/152893623.db2.gz CGFNFTAAHCCOOE-UHFFFAOYSA-N 0 0 349.412 3.285 10 5 EGBERN CSc1cccc(C(=O)NCCCc2ccccn2)c1[N+](=O)[O-] ZINC000188245014 153007758 /nfs/dbraw/zinc/00/77/58/153007758.db2.gz MYXOUYARLDZYSL-UHFFFAOYSA-N 0 0 331.397 3.074 10 5 EGBERN CC1(C)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000189185881 153055660 /nfs/dbraw/zinc/05/56/60/153055660.db2.gz WIFZIEMWIKCLRY-UHFFFAOYSA-N 0 0 336.363 3.298 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000189579081 153080235 /nfs/dbraw/zinc/08/02/35/153080235.db2.gz KPVFDYKUXRJHHL-OAHLLOKOSA-N 0 0 326.352 3.465 10 5 EGBERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000190377326 153135504 /nfs/dbraw/zinc/13/55/04/153135504.db2.gz AVHROCCZNISVKT-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN CCOC[C@@H](NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000190989023 153169857 /nfs/dbraw/zinc/16/98/57/153169857.db2.gz NNFVUKOYPJRADR-HZPDHXFCSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194606721 153347490 /nfs/dbraw/zinc/34/74/90/153347490.db2.gz UNVAYNIVNQOXCA-CQSZACIVSA-N 0 0 342.399 3.231 10 5 EGBERN C[C@@H](c1cccnc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341630707 155390735 /nfs/dbraw/zinc/39/07/35/155390735.db2.gz GDNRFEOEBJDVOZ-JTQLQIEISA-N 0 0 335.310 3.030 10 5 EGBERN O=[N+]([O-])c1c(NCCc2cccc3[nH]ccc32)nc2sccn21 ZINC000336885139 154229160 /nfs/dbraw/zinc/22/91/60/154229160.db2.gz FICPJXCKDYMWEC-UHFFFAOYSA-N 0 0 327.369 3.440 10 5 EGBERN Cc1nn(C)c(N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1[N+](=O)[O-] ZINC000336940990 154243939 /nfs/dbraw/zinc/24/39/39/154243939.db2.gz YAENRDACNCPREH-INIZCTEOSA-N 0 0 336.342 3.159 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1F ZINC000337440358 154353197 /nfs/dbraw/zinc/35/31/97/154353197.db2.gz ZDKMDPLKTFSLJT-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1cc(NCC[C@@H](O)C(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000345081790 155926076 /nfs/dbraw/zinc/92/60/76/155926076.db2.gz PIYXOGCAORLZDH-GFCCVEGCSA-N 0 0 329.278 3.177 10 5 EGBERN CC(F)(F)c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000345399362 156087941 /nfs/dbraw/zinc/08/79/41/156087941.db2.gz UGNFBWQJJDUQJY-UHFFFAOYSA-N 0 0 347.321 3.300 10 5 EGBERN CC(C)(C(=O)NCc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000345450452 156111546 /nfs/dbraw/zinc/11/15/46/156111546.db2.gz MZQARIXGKZMMMT-UHFFFAOYSA-N 0 0 333.775 3.237 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000345458560 156115333 /nfs/dbraw/zinc/11/53/33/156115333.db2.gz KVCHUHGFZXRDQM-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccccc4)CCC3)no2)n1 ZINC000346981724 156230367 /nfs/dbraw/zinc/23/03/67/156230367.db2.gz MWPOWGWMVFOWDH-UHFFFAOYSA-N 0 0 339.355 3.331 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC000362054062 157001509 /nfs/dbraw/zinc/00/15/09/157001509.db2.gz IWMMNLXIMUYIQF-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000056459808 161522129 /nfs/dbraw/zinc/52/21/29/161522129.db2.gz GQRWFFGYCKETPX-JTQLQIEISA-N 0 0 335.310 3.433 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccsc2)ns1 ZINC000109108798 162093668 /nfs/dbraw/zinc/09/36/68/162093668.db2.gz IAZXLEBZPFMQLG-UHFFFAOYSA-N 0 0 346.393 3.356 10 5 EGBERN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000114359984 162229491 /nfs/dbraw/zinc/22/94/91/162229491.db2.gz XDEWWDFWEUNFLM-KRWDZBQOSA-N 0 0 341.367 3.124 10 5 EGBERN Nc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000114440628 162232396 /nfs/dbraw/zinc/23/23/96/162232396.db2.gz RGLMJQSGIBMMDM-QGZVFWFLSA-N 0 0 333.363 3.279 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1CO ZINC000126308560 162299247 /nfs/dbraw/zinc/29/92/47/162299247.db2.gz NKUZSYYWNQMCDT-UHFFFAOYSA-N 0 0 330.340 3.047 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000127227920 162327265 /nfs/dbraw/zinc/32/72/65/162327265.db2.gz WHUQFMSRZSPTHB-JKNJVXJCSA-N 0 0 342.351 3.110 10 5 EGBERN CCC(C)(C)NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000151152517 162572761 /nfs/dbraw/zinc/57/27/61/162572761.db2.gz XWWNVJNKCRGTAC-UHFFFAOYSA-N 0 0 345.193 3.041 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151829751 162603846 /nfs/dbraw/zinc/60/38/46/162603846.db2.gz MTCWDTLWFSFVOL-SJCJKPOMSA-N 0 0 326.352 3.059 10 5 EGBERN COC(=O)c1cc(NC(=O)c2csc(C)c2C)cc([N+](=O)[O-])c1 ZINC000180204254 162731212 /nfs/dbraw/zinc/73/12/12/162731212.db2.gz KHBNKLWMWJUGFO-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)cc1OC(F)F ZINC000180995954 162769643 /nfs/dbraw/zinc/76/96/43/162769643.db2.gz QPVYAFOFBGBNRE-UHFFFAOYSA-N 0 0 342.273 3.440 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000249276030 163061829 /nfs/dbraw/zinc/06/18/29/163061829.db2.gz KYNAEXXEERTBIT-KBAYOESNSA-N 0 0 343.383 3.214 10 5 EGBERN Cc1cc(NCCCn2ccnn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338690157 163319303 /nfs/dbraw/zinc/31/93/03/163319303.db2.gz ZSBCDIYUWZPANC-UHFFFAOYSA-N 0 0 329.282 3.016 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354351453 166007948 /nfs/dbraw/zinc/00/79/48/166007948.db2.gz LHKMTKZPLYWXMH-UHFFFAOYSA-N 0 0 342.380 3.319 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)[C@@H]1n1cccn1 ZINC000338842869 163361377 /nfs/dbraw/zinc/36/13/77/163361377.db2.gz XVZMJAALBHRNNS-IMJJTQAJSA-N 0 0 334.351 3.069 10 5 EGBERN Cc1cc(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000342654839 163934654 /nfs/dbraw/zinc/93/46/54/163934654.db2.gz NQFSRNOEWVTWFE-JTQLQIEISA-N 0 0 348.790 3.398 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343791826 164035891 /nfs/dbraw/zinc/03/58/91/164035891.db2.gz JGINNABIGHCSOU-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN Cc1ccc(-c2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)cc1 ZINC000343822374 164043523 /nfs/dbraw/zinc/04/35/23/164043523.db2.gz ZBGKRLRACNJJOO-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN CN(C(=O)c1coc(C2CCCCC2)n1)c1ccc([N+](=O)[O-])nc1 ZINC000344204762 164126483 /nfs/dbraw/zinc/12/64/83/164126483.db2.gz DXNFIFYADONWAW-UHFFFAOYSA-N 0 0 330.344 3.302 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(OCCc3ccccc3)CC2)cn1 ZINC000344426278 164176691 /nfs/dbraw/zinc/17/66/91/164176691.db2.gz XDKVNPTXKYISLF-UHFFFAOYSA-N 0 0 327.384 3.218 10 5 EGBERN Cc1ccc(-c2noc(-c3cc(-n4ccnc4)ccn3)n2)cc1[N+](=O)[O-] ZINC000345945854 164301091 /nfs/dbraw/zinc/30/10/91/164301091.db2.gz FAIYYGOPHIYGNQ-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc4ncccc4c3)no2)n1 ZINC000346117393 164340313 /nfs/dbraw/zinc/34/03/13/164340313.db2.gz FFXDZYYNDZMDBN-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN CN(C[C@H]1OCCc2ccccc21)c1ncc([N+](=O)[O-])cc1Cl ZINC000346408896 164382219 /nfs/dbraw/zinc/38/22/19/164382219.db2.gz KMNUOHNLQIBRQM-OAHLLOKOSA-N 0 0 333.775 3.393 10 5 EGBERN CCOc1ccc(C(=O)N2CCOCc3ccccc32)cc1[N+](=O)[O-] ZINC000347850877 164594698 /nfs/dbraw/zinc/59/46/98/164594698.db2.gz PQADEPFFWVAHDX-UHFFFAOYSA-N 0 0 342.351 3.171 10 5 EGBERN CO[C@@](C)(c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1)C1CC1 ZINC000350456442 165056312 /nfs/dbraw/zinc/05/63/12/165056312.db2.gz SUAPUNLEOUPXME-MRXNPFEDSA-N 0 0 333.344 3.137 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000351896971 165140559 /nfs/dbraw/zinc/14/05/59/165140559.db2.gz JTVFCGFZRQMXEH-ZIAGYGMSSA-N 0 0 340.807 3.117 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000352061029 165216011 /nfs/dbraw/zinc/21/60/11/165216011.db2.gz NDGNPTCYJXYUAO-MRXNPFEDSA-N 0 0 331.324 3.034 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1coc2ccccc12 ZINC000352382157 165374668 /nfs/dbraw/zinc/37/46/68/165374668.db2.gz LXDFESMGDNMCFU-UHFFFAOYSA-N 0 0 346.289 3.478 10 5 EGBERN COc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422881 165394321 /nfs/dbraw/zinc/39/43/21/165394321.db2.gz LMRYXGPYCDCDHI-WBVHZDCISA-N 0 0 332.400 3.137 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccncc1OC ZINC000353936695 165926104 /nfs/dbraw/zinc/92/61/04/165926104.db2.gz ADRWWHQISCHIKG-LLVKDONJSA-N 0 0 344.371 3.444 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000355203178 166131502 /nfs/dbraw/zinc/13/15/02/166131502.db2.gz WWTOTBJAPFLCEN-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN COc1cc(CNc2cccc3c2OCCC3=O)ccc1[N+](=O)[O-] ZINC000355348279 166170930 /nfs/dbraw/zinc/17/09/30/166170930.db2.gz MVZWPKRYPGDIAJ-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN COc1ccc(OC)c(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c1 ZINC000355549425 166240663 /nfs/dbraw/zinc/24/06/63/166240663.db2.gz WBGLDLVOXTUOGA-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CO)c(F)c1 ZINC000355593414 166253845 /nfs/dbraw/zinc/25/38/45/166253845.db2.gz CBPKYPSEPCXBAI-UHFFFAOYSA-N 0 0 347.346 3.165 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000355944073 166355216 /nfs/dbraw/zinc/35/52/16/166355216.db2.gz QOOFNKVFIHTEQT-UPJWGTAASA-N 0 0 348.399 3.278 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)c2ncccc12 ZINC000356627280 166467607 /nfs/dbraw/zinc/46/76/07/166467607.db2.gz PMNVALRWWROIDD-UHFFFAOYSA-N 0 0 327.315 3.387 10 5 EGBERN CCNC(=O)CCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356725902 166493532 /nfs/dbraw/zinc/49/35/32/166493532.db2.gz BLPZOGCXGVVXHH-UHFFFAOYSA-N 0 0 335.404 3.137 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000356865189 166518902 /nfs/dbraw/zinc/51/89/02/166518902.db2.gz IOXRKWPGVIHJRO-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN O=C(NCc1ccccc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358905858 167000745 /nfs/dbraw/zinc/00/07/45/167000745.db2.gz RUVLJWXLPBYLOA-UHFFFAOYSA-N 0 0 340.257 3.265 10 5 EGBERN Cn1c(SCCOc2ccc([N+](=O)[O-])cc2)nnc1C1CCC1 ZINC000358936986 167011856 /nfs/dbraw/zinc/01/18/56/167011856.db2.gz SGDMOQFHUJDCCQ-UHFFFAOYSA-N 0 0 334.401 3.162 10 5 EGBERN Cc1csc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000358945960 167015619 /nfs/dbraw/zinc/01/56/19/167015619.db2.gz DLEYEHVIJDFGFP-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN CC(C)Cn1ncc(NC(=O)Nc2ccncc2[N+](=O)[O-])c1C(C)C ZINC000359025336 167042577 /nfs/dbraw/zinc/04/25/77/167042577.db2.gz CSMPHBPWZMRNEH-UHFFFAOYSA-N 0 0 346.391 3.032 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCc3sccc3C2)n1 ZINC000359083611 167062295 /nfs/dbraw/zinc/06/22/95/167062295.db2.gz PAMXOYDIYZRUGN-UHFFFAOYSA-N 0 0 332.429 3.138 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2nnc(-c3ccccc3)o2)n1 ZINC000359094940 167065673 /nfs/dbraw/zinc/06/56/73/167065673.db2.gz LVRKNZUUXXJSTN-UHFFFAOYSA-N 0 0 339.355 3.311 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCC2CCCC2)C1=O ZINC000359526739 167179603 /nfs/dbraw/zinc/17/96/03/167179603.db2.gz QDIZDGRTZBQARB-SFHVURJKSA-N 0 0 345.399 3.332 10 5 EGBERN Cc1c(CNC(=O)N[C@H](C(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000359546888 167187489 /nfs/dbraw/zinc/18/74/89/167187489.db2.gz MRAYKPFBFTZHDU-GFCCVEGCSA-N 0 0 333.310 3.289 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000360259234 167284347 /nfs/dbraw/zinc/28/43/47/167284347.db2.gz UMKPWQBFBZMBMM-LSDHHAIUSA-N 0 0 346.408 3.046 10 5 EGBERN CNC(=O)C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000360281768 167289018 /nfs/dbraw/zinc/28/90/18/167289018.db2.gz CFXFOVXQSQHWAD-AWEZNQCLSA-N 0 0 335.310 3.162 10 5 EGBERN Cc1c(CNC(=O)C[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000360523900 167348767 /nfs/dbraw/zinc/34/87/67/167348767.db2.gz CQICYRGAYQLSFU-AWEZNQCLSA-N 0 0 340.379 3.476 10 5 EGBERN CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000365165307 168030653 /nfs/dbraw/zinc/03/06/53/168030653.db2.gz UDZPFVWIQABPJY-CQSZACIVSA-N 0 0 343.387 3.051 10 5 EGBERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366128573 168086629 /nfs/dbraw/zinc/08/66/29/168086629.db2.gz SHJPYSHOIVEGJJ-MEDUHNTESA-N 0 0 329.331 3.352 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000366191669 168092228 /nfs/dbraw/zinc/09/22/28/168092228.db2.gz NFURQQYHFFRYHJ-BBWFWOEESA-N 0 0 325.368 3.361 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000367558320 168241519 /nfs/dbraw/zinc/24/15/19/168241519.db2.gz ZUIXTMKQYLDBMZ-MAUKXSAKSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367557827 168241982 /nfs/dbraw/zinc/24/19/82/168241982.db2.gz UOKQVTSJLKZHJI-CRAIPNDOSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368064414 168305835 /nfs/dbraw/zinc/30/58/35/168305835.db2.gz TXOZNLWCFOQYBH-PIGZYNQJSA-N 0 0 347.371 3.464 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365319605 287234227 /nfs/dbraw/zinc/23/42/27/287234227.db2.gz KAPLEHJLQKYLFQ-LLVKDONJSA-N 0 0 341.367 3.253 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000151548470 264778621 /nfs/dbraw/zinc/77/86/21/264778621.db2.gz AOUCDAXUNFOBDA-NSHDSACASA-N 0 0 330.381 3.077 10 5 EGBERN CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882070 265078251 /nfs/dbraw/zinc/07/82/51/265078251.db2.gz QWDINPDSTTZLMJ-CZUORRHYSA-N 0 0 332.404 3.420 10 5 EGBERN O=C(CN1C[C@@H]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177552718 265262180 /nfs/dbraw/zinc/26/21/80/265262180.db2.gz QGOWOGXQJCRAGK-RYUDHWBXSA-N 0 0 337.807 3.309 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(C(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177811957 265278209 /nfs/dbraw/zinc/27/82/09/265278209.db2.gz LBTPOJVJSFMKTC-MRXNPFEDSA-N 0 0 342.351 3.263 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000178177992 265297663 /nfs/dbraw/zinc/29/76/63/265297663.db2.gz JUCDVEYHQITIDP-ZDUSSCGKSA-N 0 0 331.759 3.248 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCCN(c3ccccn3)CC2)ccc1Cl ZINC000183872081 265448999 /nfs/dbraw/zinc/44/89/99/265448999.db2.gz QTJOCCOYRPQVNU-UHFFFAOYSA-N 0 0 346.818 3.356 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](C)Cc1ccsc1 ZINC000186291656 265523231 /nfs/dbraw/zinc/52/32/31/265523231.db2.gz BYSPQEITVMFIEO-NSHDSACASA-N 0 0 333.413 3.453 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](CO)CC(C)C ZINC000186667649 265543199 /nfs/dbraw/zinc/54/31/99/265543199.db2.gz IEZSOTHQZKRKIE-WBVHZDCISA-N 0 0 336.432 3.029 10 5 EGBERN Cc1scc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000188583014 265688708 /nfs/dbraw/zinc/68/87/08/265688708.db2.gz SOVDVRZGZAXEOM-UHFFFAOYSA-N 0 0 332.381 3.177 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000189593174 265775839 /nfs/dbraw/zinc/77/58/39/265775839.db2.gz AIXKVBWRBRZPDV-SNVBAGLBSA-N 0 0 347.396 3.211 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000189770458 265793066 /nfs/dbraw/zinc/79/30/66/265793066.db2.gz UYFTXKLRYUXEIQ-PSASIEDQSA-N 0 0 347.293 3.303 10 5 EGBERN CCc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CC ZINC000190678637 265856595 /nfs/dbraw/zinc/85/65/95/265856595.db2.gz ZYXRFFWTJYJHIL-UHFFFAOYSA-N 0 0 341.367 3.297 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000193882773 266071717 /nfs/dbraw/zinc/07/17/17/266071717.db2.gz AICUIVHOYNLASC-NSHDSACASA-N 0 0 330.388 3.251 10 5 EGBERN CCCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000194694281 266137754 /nfs/dbraw/zinc/13/77/54/266137754.db2.gz IQHIGKQSWDHXSX-UHFFFAOYSA-N 0 0 335.389 3.135 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000269449512 266297116 /nfs/dbraw/zinc/29/71/16/266297116.db2.gz GCKYXEOXVKWCOA-GFCCVEGCSA-N 0 0 330.388 3.283 10 5 EGBERN COc1cc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057992 266597540 /nfs/dbraw/zinc/59/75/40/266597540.db2.gz BGGNGKDOMQFSEV-NHYWBVRUSA-N 0 0 334.351 3.027 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000274365178 267224550 /nfs/dbraw/zinc/22/45/50/267224550.db2.gz JKNODNIICOMIRR-RCBQFDQVSA-N 0 0 349.431 3.094 10 5 EGBERN Cc1ccccc1C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000277139924 267705304 /nfs/dbraw/zinc/70/53/04/267705304.db2.gz CALPHAAVKHFGOH-KRWDZBQOSA-N 0 0 342.395 3.245 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC3(CC3)CC2)cc1OC ZINC000277353666 267769050 /nfs/dbraw/zinc/76/90/50/267769050.db2.gz GOQBZOOPMAQAHJ-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCc1ccccn1 ZINC000278459131 268017210 /nfs/dbraw/zinc/01/72/10/268017210.db2.gz HAVLAOXXIYKXGP-UHFFFAOYSA-N 0 0 333.775 3.314 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](c4cccs4)C3)nc2c1 ZINC000278478960 268022317 /nfs/dbraw/zinc/02/23/17/268022317.db2.gz ONQRLPZWGBAONU-CYBMUJFWSA-N 0 0 330.369 3.111 10 5 EGBERN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)sc2nccn12 ZINC000348907099 274657710 /nfs/dbraw/zinc/65/77/10/274657710.db2.gz KGCOLNXENLANNI-UHFFFAOYSA-N 0 0 327.325 3.329 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](c4ccc(Cl)cc4)C3)nn21 ZINC000159691634 275041792 /nfs/dbraw/zinc/04/17/92/275041792.db2.gz UMJSPKNMXBYYKD-GFCCVEGCSA-N 0 0 343.774 3.285 10 5 EGBERN C[C@@H](OCc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375528 275161827 /nfs/dbraw/zinc/16/18/27/275161827.db2.gz XUAZVJDEHVKXSW-ZIAGYGMSSA-N 0 0 340.379 3.478 10 5 EGBERN CCCN(CCC)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184983728 275214337 /nfs/dbraw/zinc/21/43/37/275214337.db2.gz JVDPNCFJIJXLIC-UHFFFAOYSA-N 0 0 331.372 3.170 10 5 EGBERN Cn1c(COc2ccc([N+](=O)[O-])c3ncccc23)nnc1C1CCC1 ZINC000184983326 275214400 /nfs/dbraw/zinc/21/44/00/275214400.db2.gz TZGUOGPEEAYDJU-UHFFFAOYSA-N 0 0 339.355 3.118 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cs1 ZINC000187015774 275216958 /nfs/dbraw/zinc/21/69/58/275216958.db2.gz DONDFULECPZTMA-AWEZNQCLSA-N 0 0 332.385 3.040 10 5 EGBERN COc1cccc(C(=O)NCc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC000194885076 275229196 /nfs/dbraw/zinc/22/91/96/275229196.db2.gz SWHGRULZOLPOGB-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN CCCC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000278645847 275262046 /nfs/dbraw/zinc/26/20/46/275262046.db2.gz NGNYVDZBSDDJHL-LLVKDONJSA-N 0 0 342.779 3.018 10 5 EGBERN CCCOCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280711872 275486007 /nfs/dbraw/zinc/48/60/07/275486007.db2.gz MKOMMVZKQIWQKO-UHFFFAOYSA-N 0 0 331.166 3.031 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281075424 275519754 /nfs/dbraw/zinc/51/97/54/275519754.db2.gz NCXOKGQVDHTHAD-OAHLLOKOSA-N 0 0 328.372 3.004 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000281361179 275543257 /nfs/dbraw/zinc/54/32/57/275543257.db2.gz STRDRIDFEDFSMX-KRWDZBQOSA-N 0 0 342.399 3.015 10 5 EGBERN CC(C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000359013547 275598597 /nfs/dbraw/zinc/59/85/97/275598597.db2.gz BDOPOVZAPXWDTR-LBPRGKRZSA-N 0 0 334.401 3.382 10 5 EGBERN Cc1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000282872606 275678693 /nfs/dbraw/zinc/67/86/93/275678693.db2.gz WGBHLQNYPPWGFI-UHFFFAOYSA-N 0 0 337.763 3.491 10 5 EGBERN CCN(CC)C(=S)Sc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286743612 276039197 /nfs/dbraw/zinc/03/91/97/276039197.db2.gz FFYZEICGIDLUEQ-UHFFFAOYSA-N 0 0 328.444 3.318 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1cc(OC)ccc1OC ZINC000288078990 276181112 /nfs/dbraw/zinc/18/11/12/276181112.db2.gz HPIPCMRFCBMMFO-JTQLQIEISA-N 0 0 334.376 3.310 10 5 EGBERN COC(=O)c1cc(NCc2noc3c2CCCC3)cc(C)c1[N+](=O)[O-] ZINC000288153618 276186724 /nfs/dbraw/zinc/18/67/24/276186724.db2.gz GZERJKMTMPAOGT-UHFFFAOYSA-N 0 0 345.355 3.169 10 5 EGBERN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000289996165 276432049 /nfs/dbraw/zinc/43/20/49/276432049.db2.gz DPMMIROSOMWCTH-GUYCJALGSA-N 0 0 342.395 3.111 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947825 276694615 /nfs/dbraw/zinc/69/46/15/276694615.db2.gz RVEQYQNCBZJIBL-HZPDHXFCSA-N 0 0 341.415 3.251 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291938938 276710520 /nfs/dbraw/zinc/71/05/20/276710520.db2.gz MRQAPAUDLFWYBZ-QWHCGFSZSA-N 0 0 342.399 3.202 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000292011694 276720530 /nfs/dbraw/zinc/72/05/30/276720530.db2.gz SCRDBBAEIVXDGZ-SCLBCKFNSA-N 0 0 327.384 3.274 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000367446540 278027399 /nfs/dbraw/zinc/02/73/99/278027399.db2.gz FRGWNZDSPDIGLR-SFHVURJKSA-N 0 0 332.400 3.361 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCC3(C)CC3)cc2[N+](=O)[O-])C1 ZINC000357507471 278344040 /nfs/dbraw/zinc/34/40/40/278344040.db2.gz JWDPZDYFOZBXIM-ZDUSSCGKSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000364398368 279028817 /nfs/dbraw/zinc/02/88/17/279028817.db2.gz CSWXDDHNSNAXDJ-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3F)CC2)c1 ZINC000376235209 279699611 /nfs/dbraw/zinc/69/96/11/279699611.db2.gz OTWXTDXLYWGAAD-UHFFFAOYSA-N 0 0 330.363 3.033 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc2nccnc21 ZINC000347684425 280023808 /nfs/dbraw/zinc/02/38/08/280023808.db2.gz FMQTXSPKGCFKEK-NSHDSACASA-N 0 0 334.335 3.129 10 5 EGBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)sc2nccn12 ZINC000349370176 280214276 /nfs/dbraw/zinc/21/42/76/280214276.db2.gz VMUVMTDELATJKV-SECBINFHSA-N 0 0 342.380 3.204 10 5 EGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000373102243 280227948 /nfs/dbraw/zinc/22/79/48/280227948.db2.gz ZPKITDNIGQNJNA-CQSZACIVSA-N 0 0 345.330 3.202 10 5 EGBERN Cc1cc(NC(=O)c2occ3c2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000343762164 280299612 /nfs/dbraw/zinc/29/96/12/280299612.db2.gz KRVHEJOOLLRQMU-UHFFFAOYSA-N 0 0 337.335 3.207 10 5 EGBERN C[C@@H]1C[C@@]2(CCO1)CN(c1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000376423520 297317834 /nfs/dbraw/zinc/31/78/34/297317834.db2.gz XEGHTBCUQVPLKP-WQGACYEGSA-N 0 0 340.807 3.411 10 5 EGBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066333546 307361763 /nfs/dbraw/zinc/36/17/63/307361763.db2.gz LAFAITFNNHUFMP-LLVKDONJSA-N 0 0 340.426 3.346 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087255371 307445937 /nfs/dbraw/zinc/44/59/37/307445937.db2.gz ODJNRDICLOSUAQ-KRWDZBQOSA-N 0 0 334.416 3.335 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000089874620 307454697 /nfs/dbraw/zinc/45/46/97/307454697.db2.gz KLBLZQOFYHKXDN-NSHDSACASA-N 0 0 337.376 3.065 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)O1 ZINC000413999570 309055897 /nfs/dbraw/zinc/05/58/97/309055897.db2.gz XAPUFFWWHDJXGR-UTLUCORTSA-N 0 0 346.305 3.157 10 5 EGBERN Cc1csc(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000130700185 307632900 /nfs/dbraw/zinc/63/29/00/307632900.db2.gz DCOAGAQXCKWCDS-UHFFFAOYSA-N 0 0 327.749 3.031 10 5 EGBERN Cc1nncn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000134306189 307685333 /nfs/dbraw/zinc/68/53/33/307685333.db2.gz UNANHEYZNXTEET-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN CSCCCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152672130 307757330 /nfs/dbraw/zinc/75/73/30/307757330.db2.gz YXRMAOPUNOSZEI-UHFFFAOYSA-N 0 0 337.445 3.412 10 5 EGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1Cl ZINC000153124621 307766559 /nfs/dbraw/zinc/76/65/59/307766559.db2.gz SVSHESAZEMKNIA-UHFFFAOYSA-N 0 0 345.786 3.245 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(C)cc2OC)cc1[N+](=O)[O-] ZINC000153782331 307780844 /nfs/dbraw/zinc/78/08/44/307780844.db2.gz CRQQELOHQSKYGL-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN O=[N+]([O-])c1ccc(CCN[C@H](c2nccs2)C(F)(F)F)cc1 ZINC000292834819 308071056 /nfs/dbraw/zinc/07/10/56/308071056.db2.gz ASLSMAIBRNVMDC-LLVKDONJSA-N 0 0 331.319 3.487 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](C2CCC2)C1 ZINC000414396983 309077703 /nfs/dbraw/zinc/07/77/03/309077703.db2.gz HGQUURQEXISSNZ-AWEZNQCLSA-N 0 0 339.779 3.281 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000293856265 308168436 /nfs/dbraw/zinc/16/84/36/308168436.db2.gz CDGKIFGEVBJWHY-OAHLLOKOSA-N 0 0 331.416 3.456 10 5 EGBERN C[C@@]12CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(F)F ZINC000294534375 308229736 /nfs/dbraw/zinc/22/97/36/308229736.db2.gz CROZIZDZIWCCFM-GXTWGEPZSA-N 0 0 344.745 3.294 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000294996781 308279883 /nfs/dbraw/zinc/27/98/83/308279883.db2.gz UOTRMJBMNYEDGH-NOZJJQNGSA-N 0 0 346.305 3.111 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000295054158 308285786 /nfs/dbraw/zinc/28/57/86/308285786.db2.gz OXCSYUYENKFDMY-FZMZJTMJSA-N 0 0 340.807 3.117 10 5 EGBERN CC(F)(F)CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295638724 308345879 /nfs/dbraw/zinc/34/58/79/308345879.db2.gz SVJBWCYWGFDMPC-UHFFFAOYSA-N 0 0 329.347 3.339 10 5 EGBERN C[C@]1(F)CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000295664092 308348279 /nfs/dbraw/zinc/34/82/79/308348279.db2.gz WJGWWEYPJPYJEU-AWEZNQCLSA-N 0 0 332.734 3.280 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC(C)(F)F)cc1OC ZINC000295772601 308358311 /nfs/dbraw/zinc/35/83/11/308358311.db2.gz PKRTYMBFGAJQAZ-UHFFFAOYSA-N 0 0 346.330 3.167 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000295893513 308371946 /nfs/dbraw/zinc/37/19/46/308371946.db2.gz HGQQRUOSIVDCNW-WDEREUQCSA-N 0 0 346.305 3.163 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)nc1 ZINC000295919712 308374876 /nfs/dbraw/zinc/37/48/76/308374876.db2.gz RSPXSCWZDXGYNY-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000297720857 308558337 /nfs/dbraw/zinc/55/83/37/308558337.db2.gz JRCTXKKWFWKBMY-OAHLLOKOSA-N 0 0 346.387 3.404 10 5 EGBERN CCc1nocc1CN(C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298052331 308581614 /nfs/dbraw/zinc/58/16/14/308581614.db2.gz UZVGBMNCZPHBKJ-OAHLLOKOSA-N 0 0 346.387 3.438 10 5 EGBERN O=C1CCCN1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000298196461 308592291 /nfs/dbraw/zinc/59/22/91/308592291.db2.gz FFWMMYCUTZZNHD-UHFFFAOYSA-N 0 0 331.294 3.038 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301275319 308694674 /nfs/dbraw/zinc/69/46/74/308694674.db2.gz RSWYSXJBDMQCEF-PIGZYNQJSA-N 0 0 346.408 3.344 10 5 EGBERN Cc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])c(C)n3)cc2)n1 ZINC000301663931 308709712 /nfs/dbraw/zinc/70/97/12/308709712.db2.gz NOTKSUCGQLQKPH-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN Cc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c(C)c1 ZINC000301680634 308710649 /nfs/dbraw/zinc/71/06/49/308710649.db2.gz JMORXDWYQQQRKS-UHFFFAOYSA-N 0 0 341.367 3.197 10 5 EGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000301768263 308714452 /nfs/dbraw/zinc/71/44/52/308714452.db2.gz IRGULAVGMVENJX-ZDUSSCGKSA-N 0 0 335.404 3.478 10 5 EGBERN Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301815892 308716431 /nfs/dbraw/zinc/71/64/31/308716431.db2.gz IWZXXMNKVYIPPK-UHFFFAOYSA-N 0 0 346.431 3.068 10 5 EGBERN COc1cc(N[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000301820508 308716707 /nfs/dbraw/zinc/71/67/07/308716707.db2.gz GKAQMSXHTAOEQO-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN CCOc1cccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301959308 308723207 /nfs/dbraw/zinc/72/32/07/308723207.db2.gz GWFJUNYVXJKARY-LLVKDONJSA-N 0 0 327.344 3.209 10 5 EGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1F ZINC000301990755 308724480 /nfs/dbraw/zinc/72/44/80/308724480.db2.gz MJGLHJYOSMLZLT-VIFPVBQESA-N 0 0 333.298 3.131 10 5 EGBERN C[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000302066487 308727932 /nfs/dbraw/zinc/72/79/32/308727932.db2.gz ULFVQKSLIPHONW-KZULUSFZSA-N 0 0 346.358 3.193 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)c1 ZINC000302132553 308730138 /nfs/dbraw/zinc/73/01/38/308730138.db2.gz HCQYJNXRFZRYAQ-CQSZACIVSA-N 0 0 337.383 3.248 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccs3)C2)c1 ZINC000302201244 308733051 /nfs/dbraw/zinc/73/30/51/308733051.db2.gz VGIJCQYTHFBLMB-AWEZNQCLSA-N 0 0 348.380 3.021 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3cccn3)c2)c1 ZINC000302198626 308733065 /nfs/dbraw/zinc/73/30/65/308733065.db2.gz UFPWNMLNJICHPB-UHFFFAOYSA-N 0 0 339.307 3.359 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCc3c(cccc3OC)C2)c1 ZINC000302202086 308733188 /nfs/dbraw/zinc/73/31/88/308733188.db2.gz VORVRSUSAFQFLS-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN CO[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000302580766 308740200 /nfs/dbraw/zinc/74/02/00/308740200.db2.gz SZUGJSXENQYTLY-MLGOLLRUSA-N 0 0 342.399 3.221 10 5 EGBERN Cc1ccc(C(=O)NCCNc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000302824441 308747095 /nfs/dbraw/zinc/74/70/95/308747095.db2.gz XAHIBQFJUACETG-UHFFFAOYSA-N 0 0 335.310 3.023 10 5 EGBERN CCN(CC(=O)Nc1ccccc1OC)c1cc(F)ccc1[N+](=O)[O-] ZINC000302863251 308748522 /nfs/dbraw/zinc/74/85/22/308748522.db2.gz RVJAWNYSKHARAO-UHFFFAOYSA-N 0 0 347.346 3.208 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[C@@H](C)C1 ZINC000331147132 308802519 /nfs/dbraw/zinc/80/25/19/308802519.db2.gz ZPNGZTLSHKCPGI-ZYHUDNBSSA-N 0 0 326.418 3.242 10 5 EGBERN CC(C)Oc1cc(C(=O)NCc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000412231419 308976112 /nfs/dbraw/zinc/97/61/12/308976112.db2.gz KWVBBRIBGDSXEN-UHFFFAOYSA-N 0 0 349.774 3.360 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000412771095 309001922 /nfs/dbraw/zinc/00/19/22/309001922.db2.gz WIMKCTSKKQBCHB-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(C)(C)C1 ZINC000412806108 309003676 /nfs/dbraw/zinc/00/36/76/309003676.db2.gz BGFBMPUMZLMJIY-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)n1 ZINC000412809104 309003881 /nfs/dbraw/zinc/00/38/81/309003881.db2.gz HKNYIXXDIJSLSP-GFCCVEGCSA-N 0 0 336.436 3.488 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000413376786 309029610 /nfs/dbraw/zinc/02/96/10/309029610.db2.gz WAUYKZNWKRNMPU-UHFFFAOYSA-N 0 0 338.289 3.033 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1O ZINC000413421833 309031386 /nfs/dbraw/zinc/03/13/86/309031386.db2.gz RNLUJDWYTTWPST-OCCSQVGLSA-N 0 0 338.360 3.481 10 5 EGBERN COC(=O)c1cnc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000413456516 309032812 /nfs/dbraw/zinc/03/28/12/309032812.db2.gz XYUHHBXMJNOSCG-UHFFFAOYSA-N 0 0 329.303 3.012 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](CO)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000416697556 309177339 /nfs/dbraw/zinc/17/73/39/309177339.db2.gz FBGPVNSHXUQBTO-UKRRQHHQSA-N 0 0 349.431 3.286 10 5 EGBERN CC(C)[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000417421829 309205511 /nfs/dbraw/zinc/20/55/11/309205511.db2.gz NGXCTGPVHNVLNH-LBPRGKRZSA-N 0 0 333.310 3.023 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000421113557 309313944 /nfs/dbraw/zinc/31/39/44/309313944.db2.gz NUOMGBFWNXNLPZ-AWEZNQCLSA-N 0 0 333.388 3.069 10 5 EGBERN COc1cc(CSCc2nn(C)cc2Cl)ccc1[N+](=O)[O-] ZINC000421213717 309316460 /nfs/dbraw/zinc/31/64/60/309316460.db2.gz ATYXRLWZNIIWMC-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421523311 309328279 /nfs/dbraw/zinc/32/82/79/309328279.db2.gz STIPLDLCLJLPOC-OAHLLOKOSA-N 0 0 334.416 3.490 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000421664130 309333385 /nfs/dbraw/zinc/33/33/85/309333385.db2.gz ASEFZIZGWFVJFW-AAEUAGOBSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000421673762 309334008 /nfs/dbraw/zinc/33/40/08/309334008.db2.gz YMKMOILRSHNLHF-BFYDXBDKSA-N 0 0 334.416 3.237 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](CC)O1 ZINC000421966054 309348460 /nfs/dbraw/zinc/34/84/60/309348460.db2.gz ZAGTUKSOSDFBCD-CHWSQXEVSA-N 0 0 331.372 3.106 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)CC[C@H]1C ZINC000422133341 309355282 /nfs/dbraw/zinc/35/52/82/309355282.db2.gz XQRHMZYAZKWUDH-DGCLKSJQSA-N 0 0 338.429 3.081 10 5 EGBERN CC(C)(C(=O)N1CC(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000425078101 309465318 /nfs/dbraw/zinc/46/53/18/309465318.db2.gz UXZONEZIFZWDOY-UHFFFAOYSA-N 0 0 330.306 3.125 10 5 EGBERN Cn1cc([C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C(C)(C)C)cn1 ZINC000425227046 309469345 /nfs/dbraw/zinc/46/93/45/309469345.db2.gz ABDYIMJWCBBZAA-KRWDZBQOSA-N 0 0 339.399 3.498 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425409902 309478635 /nfs/dbraw/zinc/47/86/35/309478635.db2.gz AMBJDUOWUYONHO-FUHWJXTLSA-N 0 0 343.358 3.074 10 5 EGBERN CNC(=O)c1ccc(N(C)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000428668202 309558280 /nfs/dbraw/zinc/55/82/80/309558280.db2.gz QYLIVKHBCBIHFU-UHFFFAOYSA-N 0 0 327.384 3.208 10 5 EGBERN Cc1cc(OCC(=O)N(CC(F)F)CC2CCC2)ccc1[N+](=O)[O-] ZINC000430799012 309617912 /nfs/dbraw/zinc/61/79/12/309617912.db2.gz JYNANZMJOMQFHS-UHFFFAOYSA-N 0 0 342.342 3.176 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430801401 309618082 /nfs/dbraw/zinc/61/80/82/309618082.db2.gz ZRHWWENEIOTKPR-UHFFFAOYSA-N 0 0 346.358 3.388 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431183520 309627461 /nfs/dbraw/zinc/62/74/61/309627461.db2.gz XZHVBZYHJDRMGD-QWHCGFSZSA-N 0 0 329.381 3.247 10 5 EGBERN O=C(CNc1ccnc2c1cccc2[N+](=O)[O-])NC1CCCCC1 ZINC000432341853 309658064 /nfs/dbraw/zinc/65/80/64/309658064.db2.gz ZUXDDZGGVBCVTH-UHFFFAOYSA-N 0 0 328.372 3.004 10 5 EGBERN CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2C)[nH]c1=O ZINC000432703641 309666281 /nfs/dbraw/zinc/66/62/81/309666281.db2.gz MCUZMFRZVIBIAH-XFFZJAGNSA-N 0 0 343.339 3.136 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000435999266 309744563 /nfs/dbraw/zinc/74/45/63/309744563.db2.gz XSRUHICGZLHTPI-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000436003218 309744706 /nfs/dbraw/zinc/74/47/06/309744706.db2.gz GSDBCNZLJVWIAA-VIFPVBQESA-N 0 0 339.189 3.396 10 5 EGBERN COc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000438101201 309806587 /nfs/dbraw/zinc/80/65/87/309806587.db2.gz SJLARFPEIZFEBR-UHFFFAOYSA-N 0 0 330.340 3.225 10 5 EGBERN Cc1cn([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc1[N+](=O)[O-] ZINC000439196966 309828201 /nfs/dbraw/zinc/82/82/01/309828201.db2.gz HOCNIWGSENPRDK-SECBINFHSA-N 0 0 342.277 3.318 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439280911 309830454 /nfs/dbraw/zinc/83/04/54/309830454.db2.gz SXLRTUGZECBYSS-VXGBXAGGSA-N 0 0 338.791 3.137 10 5 EGBERN CC[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766571 309907719 /nfs/dbraw/zinc/90/77/19/309907719.db2.gz XKSMYTVIOGUBOT-GDBMZVCRSA-N 0 0 340.445 3.325 10 5 EGBERN C[C@H]1CCC[C@H](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443778092 309907898 /nfs/dbraw/zinc/90/78/98/309907898.db2.gz XVKCPVISIOABNB-UONOGXRCSA-N 0 0 340.445 3.231 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444029707 309912279 /nfs/dbraw/zinc/91/22/79/309912279.db2.gz IHAILEMRRCCWIF-UKRRQHHQSA-N 0 0 342.399 3.337 10 5 EGBERN C/C(=C\c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)c1cccc(F)c1 ZINC000445621549 309944717 /nfs/dbraw/zinc/94/47/17/309944717.db2.gz VHNANGMSTBKDJY-VQHVLOKHSA-N 0 0 343.318 3.386 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446610493 309964707 /nfs/dbraw/zinc/96/47/07/309964707.db2.gz MUOIUVIWQILEPM-SRVKXCTJSA-N 0 0 338.429 3.345 10 5 EGBERN CCOc1cccc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447690233 309985763 /nfs/dbraw/zinc/98/57/63/309985763.db2.gz WQNSZQZHQCDNEV-NSHDSACASA-N 0 0 326.356 3.465 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1nccs1 ZINC000450348819 310117108 /nfs/dbraw/zinc/11/71/08/310117108.db2.gz SIZUAUKFRRNYHR-SNVBAGLBSA-N 0 0 341.414 3.018 10 5 EGBERN COc1cccc(CN(C[C@H]2CCCO2)c2ccc([N+](=O)[O-])nc2)c1 ZINC000450399775 310120375 /nfs/dbraw/zinc/12/03/75/310120375.db2.gz AXSJDDYHKFEISR-QGZVFWFLSA-N 0 0 343.383 3.184 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000450467088 310124415 /nfs/dbraw/zinc/12/44/15/310124415.db2.gz CCAVGPHGWHKQBO-SRVKXCTJSA-N 0 0 331.372 3.154 10 5 EGBERN O=[N+]([O-])c1cccc(CN(Cc2nnc(C3CC3)s2)C2CC2)c1 ZINC000450497592 310126538 /nfs/dbraw/zinc/12/65/38/310126538.db2.gz FXWCDKMMBIXAQP-UHFFFAOYSA-N 0 0 330.413 3.488 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)cn1 ZINC000450532166 310128582 /nfs/dbraw/zinc/12/85/82/310128582.db2.gz NPDJQTDZDNEPCV-ZDUSSCGKSA-N 0 0 329.360 3.372 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000450802617 310143142 /nfs/dbraw/zinc/14/31/42/310143142.db2.gz ZKQFNEXQUNTINU-HUUCEWRRSA-N 0 0 328.372 3.334 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H]1CCC(F)(F)C1 ZINC000450832032 310144724 /nfs/dbraw/zinc/14/47/24/310144724.db2.gz UYCPKQNUQIJSFK-NSHDSACASA-N 0 0 335.310 3.254 10 5 EGBERN CCCc1ncc(CNc2ccc([N+](=O)[O-])c(C(=O)OCC)c2)o1 ZINC000450850729 310145737 /nfs/dbraw/zinc/14/57/37/310145737.db2.gz YLFYXWVZNILXBZ-UHFFFAOYSA-N 0 0 333.344 3.324 10 5 EGBERN CNC(=O)c1ccc(N2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000450865406 310146656 /nfs/dbraw/zinc/14/66/56/310146656.db2.gz VWAWNWHZDFFJFU-MRXNPFEDSA-N 0 0 341.367 3.279 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000450879013 310147549 /nfs/dbraw/zinc/14/75/49/310147549.db2.gz VUZGKTHCSRHGBK-NSHDSACASA-N 0 0 331.338 3.224 10 5 EGBERN C[C@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000450935171 310150620 /nfs/dbraw/zinc/15/06/20/310150620.db2.gz DABJILFBHNMVHP-SMDDNHRTSA-N 0 0 331.347 3.003 10 5 EGBERN CCC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000451784570 310197154 /nfs/dbraw/zinc/19/71/54/310197154.db2.gz UNDFJFJTGDISJH-CQSZACIVSA-N 0 0 328.434 3.229 10 5 EGBERN COC(=O)CC1(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000452185944 310217439 /nfs/dbraw/zinc/21/74/39/310217439.db2.gz ULKLUJPCLMOJPB-ZDUSSCGKSA-N 0 0 348.399 3.286 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452608129 310234509 /nfs/dbraw/zinc/23/45/09/310234509.db2.gz VWDJXEOYERRSCJ-XEIPEAKMSA-N 0 0 337.379 3.360 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000452691796 310237730 /nfs/dbraw/zinc/23/77/30/310237730.db2.gz IBUFLKRZIXCYLZ-UHFFFAOYSA-N 0 0 343.387 3.332 10 5 EGBERN COC[C@]1(C)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452793185 310242180 /nfs/dbraw/zinc/24/21/80/310242180.db2.gz HAMSSVNXIPCQKG-OAHLLOKOSA-N 0 0 326.780 3.055 10 5 EGBERN O=C(Cc1cccc(O)c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452861760 310246171 /nfs/dbraw/zinc/24/61/71/310246171.db2.gz UOZYNXKBSHBVFE-MRXNPFEDSA-N 0 0 340.379 3.249 10 5 EGBERN CC(C)[C@@H](CO)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000452959013 310250761 /nfs/dbraw/zinc/25/07/61/310250761.db2.gz BXWHAARCLKZDRD-WBVHZDCISA-N 0 0 347.415 3.095 10 5 EGBERN CC[C@H]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000453004448 310252684 /nfs/dbraw/zinc/25/26/84/310252684.db2.gz SZMOXXBAGWOORY-QWRGUYRKSA-N 0 0 326.343 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCSC3)n2)c2c1NCCC2 ZINC000453229565 310265415 /nfs/dbraw/zinc/26/54/15/310265415.db2.gz CJBRFOLKJUATDS-SECBINFHSA-N 0 0 332.385 3.223 10 5 EGBERN O=C(NCC1(CF)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454193849 310296461 /nfs/dbraw/zinc/29/64/61/310296461.db2.gz FBKBTMCNLCZYPL-UHFFFAOYSA-N 0 0 345.758 3.136 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000454349458 310304872 /nfs/dbraw/zinc/30/48/72/310304872.db2.gz MEFVWRGEGBYXKA-CYBMUJFWSA-N 0 0 349.387 3.408 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000454383947 310306668 /nfs/dbraw/zinc/30/66/68/310306668.db2.gz ZXAWPIFLURPNNQ-ZQIUZPCESA-N 0 0 349.431 3.406 10 5 EGBERN Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000456097024 310388357 /nfs/dbraw/zinc/38/83/57/310388357.db2.gz INBIPSUWYICDSL-IMJJTQAJSA-N 0 0 332.400 3.059 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C1CCOCC1 ZINC000456170936 310391803 /nfs/dbraw/zinc/39/18/03/310391803.db2.gz BYCMVKRPGXVRNB-GFCCVEGCSA-N 0 0 335.404 3.416 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456386327 310402989 /nfs/dbraw/zinc/40/29/89/310402989.db2.gz RPVKFFUTPURDKE-CYBMUJFWSA-N 0 0 348.790 3.349 10 5 EGBERN COc1ccc(CNC(=O)NC23CCC(CC2)CC3)cc1[N+](=O)[O-] ZINC000457913255 310477796 /nfs/dbraw/zinc/47/77/96/310477796.db2.gz CHAAUOFTLVKAII-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458139591 310487984 /nfs/dbraw/zinc/48/79/84/310487984.db2.gz IBFDUWLYCOXNJU-UHFFFAOYSA-N 0 0 341.358 3.337 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458498667 310506856 /nfs/dbraw/zinc/50/68/56/310506856.db2.gz JKOZFVVWJCXNPJ-HUUCEWRRSA-N 0 0 349.431 3.422 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)ccc1C ZINC000469843929 310712222 /nfs/dbraw/zinc/71/22/22/310712222.db2.gz OHWMWQCEQQVHAT-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COC(=O)c1cc(NCCOc2ccc(F)cc2)cc(C)c1[N+](=O)[O-] ZINC000474778530 310799122 /nfs/dbraw/zinc/79/91/22/310799122.db2.gz ANWMFNDEYCHGGO-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN COC(=O)c1cc(NCCCOC2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474783675 310799427 /nfs/dbraw/zinc/79/94/27/310799427.db2.gz GWUQAJNBCFADTL-UHFFFAOYSA-N 0 0 336.388 3.451 10 5 EGBERN COc1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c(F)cc1[N+](=O)[O-] ZINC000477988658 310852914 /nfs/dbraw/zinc/85/29/14/310852914.db2.gz HTARQXMGHQEVKU-GFCCVEGCSA-N 0 0 348.378 3.489 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1C ZINC000486686633 310996953 /nfs/dbraw/zinc/99/69/53/310996953.db2.gz HLCCJXSSSRBDOA-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN O=C(NC1CC1)c1ccc(N[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000486881155 311001041 /nfs/dbraw/zinc/00/10/41/311001041.db2.gz MBAYLCMTNCHKJW-GFCCVEGCSA-N 0 0 339.342 3.477 10 5 EGBERN Cc1[nH]nc(C(F)F)c1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486944385 311003207 /nfs/dbraw/zinc/00/32/07/311003207.db2.gz PLSWCCQSHPRQGS-UHFFFAOYSA-N 0 0 346.240 3.023 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000487073597 311009657 /nfs/dbraw/zinc/00/96/57/311009657.db2.gz FMKUQBBVKYZSKG-UHFFFAOYSA-N 0 0 331.347 3.384 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000487127094 311011733 /nfs/dbraw/zinc/01/17/33/311011733.db2.gz SNAAHRCPVZKYNY-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN CC[C@H](NC(=O)c1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000487835702 311039167 /nfs/dbraw/zinc/03/91/67/311039167.db2.gz KZIZVPODCATACM-AWEZNQCLSA-N 0 0 328.372 3.087 10 5 EGBERN CC[C@@H](NC(=O)c1cn2ccc(C)cc2n1)c1cccc([N+](=O)[O-])c1 ZINC000487839582 311039381 /nfs/dbraw/zinc/03/93/81/311039381.db2.gz PZZNVPBHNRTGAB-OAHLLOKOSA-N 0 0 338.367 3.432 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488306940 311059942 /nfs/dbraw/zinc/05/99/42/311059942.db2.gz JHOHLXNOBCREER-UHFFFAOYSA-N 0 0 334.382 3.371 10 5 EGBERN CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C(F)(F)F)O1 ZINC000488691755 311075138 /nfs/dbraw/zinc/07/51/38/311075138.db2.gz XPPAEIKABDFTAE-LLVKDONJSA-N 0 0 344.293 3.017 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(F)c3)C[C@H]2C)n1 ZINC000488729116 311076867 /nfs/dbraw/zinc/07/68/67/311076867.db2.gz DFAZAIXTJZZTTK-CQSZACIVSA-N 0 0 344.390 3.461 10 5 EGBERN COC1CCC(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489466107 311107072 /nfs/dbraw/zinc/10/70/72/311107072.db2.gz POFZTIJMUYXFKF-UHFFFAOYSA-N 0 0 349.431 3.334 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000490347063 311139722 /nfs/dbraw/zinc/13/97/22/311139722.db2.gz WDMKOCWWIMBTOB-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)n1 ZINC000491871172 311194171 /nfs/dbraw/zinc/19/41/71/311194171.db2.gz NQFATOVCWQGHJP-UHFFFAOYSA-N 0 0 343.387 3.329 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000497313203 311854530 /nfs/dbraw/zinc/85/45/30/311854530.db2.gz MRQMBKVPSJPOTE-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000497415628 311858311 /nfs/dbraw/zinc/85/83/11/311858311.db2.gz HNSOINALYHLCGM-UHFFFAOYSA-N 0 0 346.836 3.367 10 5 EGBERN CCc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000502937691 311977017 /nfs/dbraw/zinc/97/70/17/311977017.db2.gz XQNXSDKRIJRITJ-UHFFFAOYSA-N 0 0 328.303 3.425 10 5 EGBERN COc1ccc(C)cc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504294094 312003385 /nfs/dbraw/zinc/00/33/85/312003385.db2.gz YQAYCWKUKKDGOB-ZDUSSCGKSA-N 0 0 340.379 3.432 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000509503274 312119015 /nfs/dbraw/zinc/11/90/15/312119015.db2.gz ZSLNGNDNBCZEIZ-LJQANCHMSA-N 0 0 326.396 3.434 10 5 EGBERN C[C@H]1CCCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512198126 312178512 /nfs/dbraw/zinc/17/85/12/312178512.db2.gz RIKXVYOWFQEJIQ-NSHDSACASA-N 0 0 325.796 3.451 10 5 EGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000513149572 312203085 /nfs/dbraw/zinc/20/30/85/312203085.db2.gz WHWNAURLUFLVAO-UHFFFAOYSA-N 0 0 332.447 3.151 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514867574 312251014 /nfs/dbraw/zinc/25/10/14/312251014.db2.gz KKLGSLFBUFUKQX-BXKDBHETSA-N 0 0 348.321 3.141 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000515392295 312280782 /nfs/dbraw/zinc/28/07/82/312280782.db2.gz QFBDSVRKTDWDOX-WHOFXGATSA-N 0 0 347.415 3.490 10 5 EGBERN C[C@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000516126955 312309816 /nfs/dbraw/zinc/30/98/16/312309816.db2.gz VZXFOTUECFIICK-JTQLQIEISA-N 0 0 326.312 3.069 10 5 EGBERN CNc1ccc(C(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000521888324 312564135 /nfs/dbraw/zinc/56/41/35/312564135.db2.gz NEHLSOXBTZNDDM-UHFFFAOYSA-N 0 0 331.347 3.138 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000524124812 312645220 /nfs/dbraw/zinc/64/52/20/312645220.db2.gz CAQNVBCCKZRBHA-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000526932741 312803381 /nfs/dbraw/zinc/80/33/81/312803381.db2.gz XDYOQSLOXBIDHC-IUCAKERBSA-N 0 0 332.278 3.159 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530388155 313527486 /nfs/dbraw/zinc/52/74/86/313527486.db2.gz QNTKXUKOGXJJNR-HZSPNIEDSA-N 0 0 335.404 3.050 10 5 EGBERN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531881227 313725509 /nfs/dbraw/zinc/72/55/09/313725509.db2.gz CPPALSMNDWCETE-JKSUJKDBSA-N 0 0 325.368 3.446 10 5 EGBERN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000532137623 313759564 /nfs/dbraw/zinc/75/95/64/313759564.db2.gz ZTPRXTDWAMBIKH-LBPRGKRZSA-N 0 0 325.246 3.023 10 5 EGBERN COc1cc(CN2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605590 314195035 /nfs/dbraw/zinc/19/50/35/314195035.db2.gz VVMYSRTVVAEDGW-LBPRGKRZSA-N 0 0 348.321 3.147 10 5 EGBERN CCc1ccccc1OCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538262230 314235315 /nfs/dbraw/zinc/23/53/15/314235315.db2.gz ODYJNBGDPQAMPN-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN CCCc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000538682916 314263731 /nfs/dbraw/zinc/26/37/31/314263731.db2.gz YCPZAECFOQJEEZ-UHFFFAOYSA-N 0 0 325.368 3.141 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CC(C)C)c2C)c1 ZINC000542974475 314596161 /nfs/dbraw/zinc/59/61/61/314596161.db2.gz PCOOKQOGEUBUSU-UHFFFAOYSA-N 0 0 332.360 3.286 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C(C)(C)c2cnn(C)c2)n1 ZINC000544758065 314715707 /nfs/dbraw/zinc/71/57/07/314715707.db2.gz VHACUJWWTXXTOT-UHFFFAOYSA-N 0 0 327.344 3.013 10 5 EGBERN Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000546570571 314834508 /nfs/dbraw/zinc/83/45/08/314834508.db2.gz AMHKNCLMBOOEHD-UHFFFAOYSA-N 0 0 331.347 3.031 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000548582917 315023576 /nfs/dbraw/zinc/02/35/76/315023576.db2.gz XBIOFUJIHAVPHD-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000548706520 315037761 /nfs/dbraw/zinc/03/77/61/315037761.db2.gz DJLCMEYTDIZESZ-UHFFFAOYSA-N 0 0 343.383 3.270 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1sccc1F ZINC000552662909 315227350 /nfs/dbraw/zinc/22/73/50/315227350.db2.gz XUKFIDVFZZIHII-UHFFFAOYSA-N 0 0 333.344 3.249 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553229495 315251972 /nfs/dbraw/zinc/25/19/72/315251972.db2.gz WWVZDJFSIBZNKV-GMSGAONNSA-N 0 0 342.277 3.021 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000553246709 315252691 /nfs/dbraw/zinc/25/26/91/315252691.db2.gz KIDMOOLYHVJAFN-UHFFFAOYSA-N 0 0 343.383 3.338 10 5 EGBERN CCN(CCc1ccccc1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553296880 315255990 /nfs/dbraw/zinc/25/59/90/315255990.db2.gz UMQUTCMLTZLHQI-UHFFFAOYSA-N 0 0 343.383 3.154 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Oc1ccc2nccnc2c1 ZINC000553477457 315265862 /nfs/dbraw/zinc/26/58/62/315265862.db2.gz AAGGXZLBXZCFNS-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN COc1c(C(=O)Nc2cc(F)cc(F)c2F)cccc1[N+](=O)[O-] ZINC000554364113 315313285 /nfs/dbraw/zinc/31/32/85/315313285.db2.gz QHYWOUPDGBBWIE-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN COc1ccc(CC(=O)N2CCc3c2c(F)ccc3F)cc1[N+](=O)[O-] ZINC000554576378 315334521 /nfs/dbraw/zinc/33/45/21/315334521.db2.gz OBQHJNVHZRXPLM-UHFFFAOYSA-N 0 0 348.305 3.013 10 5 EGBERN CC1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000554710430 315344602 /nfs/dbraw/zinc/34/46/02/315344602.db2.gz MYYUXUQHUXQBBY-UHFFFAOYSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1cc(C)cc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000556037987 315413228 /nfs/dbraw/zinc/41/32/28/315413228.db2.gz HXRSGRVQPHLORF-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN Cc1cccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000558150306 315552678 /nfs/dbraw/zinc/55/26/78/315552678.db2.gz LGXJZISDHKWRHT-UHFFFAOYSA-N 0 0 337.379 3.286 10 5 EGBERN CC1(C)CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561669011 315775712 /nfs/dbraw/zinc/77/57/12/315775712.db2.gz TVHFCQCJPPJKOU-JTQLQIEISA-N 0 0 326.343 3.358 10 5 EGBERN CCOc1cc(Cn2c3ccccc3sc2=O)ccc1[N+](=O)[O-] ZINC000564230201 316127243 /nfs/dbraw/zinc/12/72/43/316127243.db2.gz GJGWLNBDWOLXLG-UHFFFAOYSA-N 0 0 330.365 3.418 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(=O)OC)cc1 ZINC000564319756 316135592 /nfs/dbraw/zinc/13/55/92/316135592.db2.gz YJYXMHOQDXHVKH-UHFFFAOYSA-N 0 0 344.367 3.070 10 5 EGBERN CCc1cnc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000564717341 316193085 /nfs/dbraw/zinc/19/30/85/316193085.db2.gz UVLJLLQYEYSYAX-LLVKDONJSA-N 0 0 333.413 3.076 10 5 EGBERN O=C([C@@H]1CCCC[C@H]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565022417 316250506 /nfs/dbraw/zinc/25/05/06/316250506.db2.gz ZKFLYNJTJASALR-JKSUJKDBSA-N 0 0 329.400 3.091 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000565981227 316396747 /nfs/dbraw/zinc/39/67/47/316396747.db2.gz XSUVBRHRSUWSJV-ZBFHGGJFSA-N 0 0 349.431 3.418 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000567981510 316704262 /nfs/dbraw/zinc/70/42/62/316704262.db2.gz MVZPPINGZFQBJR-UHFFFAOYSA-N 0 0 347.415 3.360 10 5 EGBERN Cc1cc(C)cc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000568795288 316823692 /nfs/dbraw/zinc/82/36/92/316823692.db2.gz JAAYZPRMNDXTFQ-UHFFFAOYSA-N 0 0 348.349 3.391 10 5 EGBERN C[C@@]1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC=CCC1 ZINC000570053178 317001497 /nfs/dbraw/zinc/00/14/97/317001497.db2.gz RXOPJWQCHYVZNK-GOSISDBHSA-N 0 0 342.399 3.417 10 5 EGBERN Cc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC000570402544 317050697 /nfs/dbraw/zinc/05/06/97/317050697.db2.gz OEENLTMAIPYSJR-UHFFFAOYSA-N 0 0 325.368 3.068 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CCN(CC(F)(F)F)CC1 ZINC000571728413 317237568 /nfs/dbraw/zinc/23/75/68/317237568.db2.gz GOMGFQRTWIDWLT-JTQLQIEISA-N 0 0 332.326 3.065 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000572003402 317277967 /nfs/dbraw/zinc/27/79/67/317277967.db2.gz OGOABWYVKUJPDL-YPMHNXCESA-N 0 0 338.791 3.054 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572377577 317331467 /nfs/dbraw/zinc/33/14/67/317331467.db2.gz JKBOUPAHULYREG-GOEBONIOSA-N 0 0 339.395 3.418 10 5 EGBERN Cc1cc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c(C)s1 ZINC000572720401 317381863 /nfs/dbraw/zinc/38/18/63/317381863.db2.gz PFWHKHZLVYDSIW-UHFFFAOYSA-N 0 0 346.408 3.197 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000573601164 317507918 /nfs/dbraw/zinc/50/79/18/317507918.db2.gz WVSNGAUXINXMCV-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN CC(C)CCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573639344 317512008 /nfs/dbraw/zinc/51/20/08/317512008.db2.gz WXULFVJRZRXSJM-UHFFFAOYSA-N 0 0 332.404 3.354 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCCO2 ZINC000171386537 323232473 /nfs/dbraw/zinc/23/24/73/323232473.db2.gz PHAZXYKRZCNZQX-UHFFFAOYSA-N 0 0 327.340 3.242 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000350612780 324107699 /nfs/dbraw/zinc/10/76/99/324107699.db2.gz URMOTTTZGYGDQL-SMDDNHRTSA-N 0 0 342.355 3.121 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(F)ccc12 ZINC000576502232 324626476 /nfs/dbraw/zinc/62/64/76/324626476.db2.gz UKWDYWOTTVWZBQ-UHFFFAOYSA-N 0 0 343.314 3.024 10 5 EGBERN [NH3+][C@H](CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CC1CCCCC1 ZINC000577104253 324743433 /nfs/dbraw/zinc/74/34/33/324743433.db2.gz RYSTULDLLSGGCR-CYBMUJFWSA-N 0 0 335.404 3.317 10 5 EGBERN CCOc1cc(NC(=O)C2(CF)CCC2)c([N+](=O)[O-])cc1OCC ZINC000577612282 324836841 /nfs/dbraw/zinc/83/68/41/324836841.db2.gz OFBYNTKXBNWJBM-UHFFFAOYSA-N 0 0 340.351 3.471 10 5 EGBERN CS(=O)(=O)Nc1ccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000578765574 325015945 /nfs/dbraw/zinc/01/59/45/325015945.db2.gz GWWAOPJYULAQBS-OAHLLOKOSA-N 0 0 347.396 3.066 10 5 EGBERN CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000578856534 325028421 /nfs/dbraw/zinc/02/84/21/325028421.db2.gz XGWKHEFKNHAWIX-UHFFFAOYSA-N 0 0 325.368 3.040 10 5 EGBERN CC(C)(NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000578973989 325043983 /nfs/dbraw/zinc/04/39/83/325043983.db2.gz VJIBGHOETBAQCG-CYBMUJFWSA-N 0 0 340.379 3.382 10 5 EGBERN CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000581767365 325389631 /nfs/dbraw/zinc/38/96/31/325389631.db2.gz IGEAVAXAGUBIFP-UHFFFAOYSA-N 0 0 346.305 3.262 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)ccc1F ZINC000582085572 325412879 /nfs/dbraw/zinc/41/28/79/325412879.db2.gz MJVLPIVJRKZGCU-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000582548147 325450607 /nfs/dbraw/zinc/45/06/07/325450607.db2.gz SHIWFHQFGFNGHL-GJZGRUSLSA-N 0 0 332.400 3.436 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189653785 455228018 /nfs/dbraw/zinc/22/80/18/455228018.db2.gz IEVHKGUDUPVUQC-ZBFHGGJFSA-N 0 0 334.416 3.237 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC(=O)OC(C)(C)C ZINC000183182501 455245869 /nfs/dbraw/zinc/24/58/69/455245869.db2.gz MBJBGUQMCHJAJZ-OUKQBFOZSA-N 0 0 348.399 3.188 10 5 EGBERN CC(C)(C)OC(=O)CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000173220119 455250025 /nfs/dbraw/zinc/25/00/25/455250025.db2.gz UOGNUDGGVMGTSM-UHFFFAOYSA-N 0 0 346.339 3.176 10 5 EGBERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173278895 455259094 /nfs/dbraw/zinc/25/90/94/455259094.db2.gz KQYWALWRLWJEDN-ZDUSSCGKSA-N 0 0 329.356 3.322 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCCOC1CCOCC1 ZINC000600647665 460557956 /nfs/dbraw/zinc/55/79/56/460557956.db2.gz IFUFMNRQDDJWFB-UHFFFAOYSA-N 0 0 327.402 3.032 10 5 EGBERN COCCN(CC(F)(F)F)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183381522 455285169 /nfs/dbraw/zinc/28/51/69/455285169.db2.gz AXDMIOFLWWEOSJ-PKNBQFBNSA-N 0 0 346.305 3.035 10 5 EGBERN Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc1 ZINC000181199882 455301829 /nfs/dbraw/zinc/30/18/29/455301829.db2.gz HRUAWPHKSDNNTC-UHFFFAOYSA-N 0 0 347.396 3.043 10 5 EGBERN CN(N[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004323125 452799750 /nfs/dbraw/zinc/79/97/50/452799750.db2.gz HUQQEZAXNGJWGK-AWEZNQCLSA-N 0 0 333.731 3.058 10 5 EGBERN COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000005616921 452888752 /nfs/dbraw/zinc/88/87/52/452888752.db2.gz VTYCDIZBINXZBB-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CC1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005637372 452891531 /nfs/dbraw/zinc/89/15/31/452891531.db2.gz YICHDKOKPREIIJ-UHFFFAOYSA-N 0 0 345.321 3.284 10 5 EGBERN CN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005847334 452906307 /nfs/dbraw/zinc/90/63/07/452906307.db2.gz DFRZZGMCLFEFIA-UHFFFAOYSA-N 0 0 326.761 3.073 10 5 EGBERN Cc1ccc(OCc2nc(-c3ccccc3C)no2)c([N+](=O)[O-])n1 ZINC000007180764 453040759 /nfs/dbraw/zinc/04/07/59/453040759.db2.gz IEZLIPOCQTYAGS-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000007541297 453085769 /nfs/dbraw/zinc/08/57/69/453085769.db2.gz CYOOMFFDGGMSLK-KRWDZBQOSA-N 0 0 342.351 3.002 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1c[nH]c2ccccc21 ZINC000008329870 453194330 /nfs/dbraw/zinc/19/43/30/453194330.db2.gz SUMFJWUXHJOUML-VIFPVBQESA-N 0 0 328.280 3.097 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)Nc1cccc([N+](=O)[O-])c1 ZINC000010464294 453294645 /nfs/dbraw/zinc/29/46/45/453294645.db2.gz VSGZGGIZCJMLAY-UHFFFAOYSA-N 0 0 327.344 3.234 10 5 EGBERN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000011181545 453311613 /nfs/dbraw/zinc/31/16/13/453311613.db2.gz MGFXOGCMQFSGPK-IZZDOVSWSA-N 0 0 340.335 3.098 10 5 EGBERN C[C@@H]1CN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012561405 453376289 /nfs/dbraw/zinc/37/62/89/453376289.db2.gz PYKLZXYTJNPTMF-PHIMTYICSA-N 0 0 347.337 3.135 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000013017686 453440315 /nfs/dbraw/zinc/44/03/15/453440315.db2.gz XUGHXUMAMZIUPA-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1ccc(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000014015417 453498102 /nfs/dbraw/zinc/49/81/02/453498102.db2.gz QABHHWCBDIJIMD-QPJJXVBHSA-N 0 0 340.335 3.422 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000014482794 453537381 /nfs/dbraw/zinc/53/73/81/453537381.db2.gz KROGBZPZHMXGRK-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1cccs1 ZINC000016420195 453605501 /nfs/dbraw/zinc/60/55/01/453605501.db2.gz BAKXFYPWHAVIPT-ZDUSSCGKSA-N 0 0 347.440 3.308 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600812262 460612872 /nfs/dbraw/zinc/61/28/72/460612872.db2.gz UXMIRCVZTRRRNF-YWVDXFKGSA-N 0 0 346.383 3.184 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000021615557 453679106 /nfs/dbraw/zinc/67/91/06/453679106.db2.gz JOHMVCXCEBMHAB-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000023699547 453716274 /nfs/dbraw/zinc/71/62/74/453716274.db2.gz NBBWUKUKZLXNFV-AWEZNQCLSA-N 0 0 327.384 3.184 10 5 EGBERN Cc1c([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)cnn1-c1ccc(F)cc1 ZINC000025494805 453774792 /nfs/dbraw/zinc/77/47/92/453774792.db2.gz KDSNFOREPAOPHM-SNVBAGLBSA-N 0 0 344.350 3.135 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000026048935 453791968 /nfs/dbraw/zinc/79/19/68/453791968.db2.gz ZFOFWLSRGUDXDR-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC3CCC3)cc2[N+](=O)[O-])C1 ZINC000026147183 453793284 /nfs/dbraw/zinc/79/32/84/453793284.db2.gz JWBAHLROMIGNHU-CYBMUJFWSA-N 0 0 331.416 3.361 10 5 EGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000066410813 453843156 /nfs/dbraw/zinc/84/31/56/453843156.db2.gz QNRACOYVRYMGDI-GFCCVEGCSA-N 0 0 346.412 3.215 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000066524299 453849739 /nfs/dbraw/zinc/84/97/39/453849739.db2.gz UAALHKVKHNPFRS-AWEZNQCLSA-N 0 0 338.367 3.281 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000032277811 453866520 /nfs/dbraw/zinc/86/65/20/453866520.db2.gz LSBYNQADBXHECL-HNNXBMFYSA-N 0 0 341.367 3.366 10 5 EGBERN Cc1sc(C(=O)N(C)CCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000032458219 453874003 /nfs/dbraw/zinc/87/40/03/453874003.db2.gz BKJMQZCLUNHTII-UHFFFAOYSA-N 0 0 334.397 3.424 10 5 EGBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000075367716 453886281 /nfs/dbraw/zinc/88/62/81/453886281.db2.gz FPHSCDZXNSPDMI-OAHLLOKOSA-N 0 0 332.331 3.160 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000053552804 453887220 /nfs/dbraw/zinc/88/72/20/453887220.db2.gz HGEIVRJULBMAHF-JTQLQIEISA-N 0 0 347.346 3.275 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000067030995 453895536 /nfs/dbraw/zinc/89/55/36/453895536.db2.gz VKEVLRBGXGZSHI-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(C/C=C/c1ccc(F)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000081945123 453918892 /nfs/dbraw/zinc/91/88/92/453918892.db2.gz PVOHFHBEPXARGM-ONEGZZNKSA-N 0 0 328.343 3.496 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000081993109 453921628 /nfs/dbraw/zinc/92/16/28/453921628.db2.gz QCJUKIWJNAWSCY-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067502398 453936112 /nfs/dbraw/zinc/93/61/12/453936112.db2.gz AQXKWCYSTUNGBO-GOEBONIOSA-N 0 0 325.368 3.313 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055371360 453979325 /nfs/dbraw/zinc/97/93/25/453979325.db2.gz CSYRCHXFNVSEIC-UHFFFAOYSA-N 0 0 345.374 3.237 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000067939072 453982508 /nfs/dbraw/zinc/98/25/08/453982508.db2.gz HFZAZCFQWHWIHP-LBPRGKRZSA-N 0 0 348.428 3.429 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055465565 453987026 /nfs/dbraw/zinc/98/70/26/453987026.db2.gz ICUYEWVUXBYHKL-NSHDSACASA-N 0 0 327.340 3.044 10 5 EGBERN COc1ccc(CNc2ncccc2[N+](=O)[O-])cc1OC(F)F ZINC000042103282 453993824 /nfs/dbraw/zinc/99/38/24/453993824.db2.gz PRIRRZJKGVKYRO-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN CC(=O)c1ccc(NC[C@H](O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000042098942 453994085 /nfs/dbraw/zinc/99/40/85/453994085.db2.gz AGXSDBDHRYIJTJ-INIZCTEOSA-N 0 0 336.294 3.221 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055732960 454010487 /nfs/dbraw/zinc/01/04/87/454010487.db2.gz WPWRBCPFEBZWDU-CQSZACIVSA-N 0 0 346.770 3.431 10 5 EGBERN CNc1ccc(C(=O)NCc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000055747186 454011689 /nfs/dbraw/zinc/01/16/89/454011689.db2.gz QVNKEQIMHDEQPM-UHFFFAOYSA-N 0 0 331.397 3.288 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000086167962 454042951 /nfs/dbraw/zinc/04/29/51/454042951.db2.gz HZPIUVURTGEGSE-ZDUSSCGKSA-N 0 0 339.351 3.276 10 5 EGBERN Cn1cnnc1-c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068727155 454047911 /nfs/dbraw/zinc/04/79/11/454047911.db2.gz BVILMPMMPRYXKH-ZHACJKMWSA-N 0 0 349.350 3.042 10 5 EGBERN CCNc1ccc(C(=O)Nc2cc(OC)ccc2F)cc1[N+](=O)[O-] ZINC000088226950 454093510 /nfs/dbraw/zinc/09/35/10/454093510.db2.gz KEMOKJPFXHOBLS-UHFFFAOYSA-N 0 0 333.319 3.427 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000077414231 454103189 /nfs/dbraw/zinc/10/31/89/454103189.db2.gz WAMHWHOPFDLNBR-OAHLLOKOSA-N 0 0 327.340 3.467 10 5 EGBERN Cc1sc(C(=O)NCc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000044612949 454110183 /nfs/dbraw/zinc/11/01/83/454110183.db2.gz NOUVESICARAFBV-UHFFFAOYSA-N 0 0 335.385 3.077 10 5 EGBERN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000044638419 454111934 /nfs/dbraw/zinc/11/19/34/454111934.db2.gz QNFZRNUUZXNUDC-UHFFFAOYSA-N 0 0 334.401 3.458 10 5 EGBERN CCCCc1noc([C@@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000088606378 454114590 /nfs/dbraw/zinc/11/45/90/454114590.db2.gz MEWORHGSEYRIFP-GFCCVEGCSA-N 0 0 330.388 3.440 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1noc(-c3ccccc3)n1)CC2 ZINC000088606607 454115017 /nfs/dbraw/zinc/11/50/17/454115017.db2.gz KOJXCLGONIJHRX-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN Cc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000159949485 455417751 /nfs/dbraw/zinc/41/77/51/455417751.db2.gz MTXPIKRQSOZRLL-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000077995038 454175333 /nfs/dbraw/zinc/17/53/33/454175333.db2.gz WPWYWFKQZJVMPG-CYBMUJFWSA-N 0 0 329.331 3.228 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000094017168 454182102 /nfs/dbraw/zinc/18/21/02/454182102.db2.gz UEILUZKBNWVFCH-HUUCEWRRSA-N 0 0 332.400 3.304 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ccc([N+](=O)[O-])cn1 ZINC000095086584 454194536 /nfs/dbraw/zinc/19/45/36/454194536.db2.gz CJTGAACZXRQJFL-CYBMUJFWSA-N 0 0 337.376 3.158 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000095438994 454212494 /nfs/dbraw/zinc/21/24/94/454212494.db2.gz GQINDKDPNMXMEX-CYBMUJFWSA-N 0 0 325.267 3.309 10 5 EGBERN COc1ccccc1C1=NN(C(C)=O)[C@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000089930434 454238392 /nfs/dbraw/zinc/23/83/92/454238392.db2.gz QASKXCYZRKTJNH-KRWDZBQOSA-N 0 0 339.351 3.301 10 5 EGBERN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000089983668 454253025 /nfs/dbraw/zinc/25/30/25/454253025.db2.gz ZVVHFCRMYAKJSM-AWEZNQCLSA-N 0 0 348.399 3.099 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1O ZINC000612449144 460631181 /nfs/dbraw/zinc/63/11/81/460631181.db2.gz HEJICIDDGPDDAP-AAEUAGOBSA-N 0 0 344.358 3.430 10 5 EGBERN C[C@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@](C)=O ZINC000090113068 454281987 /nfs/dbraw/zinc/28/19/87/454281987.db2.gz HWTJXCZTWXHCIN-SFDCACGMSA-N 0 0 333.413 3.226 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120291671 454283248 /nfs/dbraw/zinc/28/32/48/454283248.db2.gz KJICLLPAISRGJG-GFCCVEGCSA-N 0 0 337.376 3.065 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000132396370 454335025 /nfs/dbraw/zinc/33/50/25/454335025.db2.gz AOOORBANWMTRGS-UHFFFAOYSA-N 0 0 325.415 3.206 10 5 EGBERN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000047171376 454336039 /nfs/dbraw/zinc/33/60/39/454336039.db2.gz HTZWBNUYOINNTK-INIZCTEOSA-N 0 0 345.380 3.014 10 5 EGBERN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000061853688 454359847 /nfs/dbraw/zinc/35/98/47/454359847.db2.gz OMQBPXUFBCCKRO-SNVBAGLBSA-N 0 0 347.758 3.064 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000098097016 454453565 /nfs/dbraw/zinc/45/35/65/454453565.db2.gz DXSYJDMRWHNWKG-CYBMUJFWSA-N 0 0 348.790 3.171 10 5 EGBERN Cc1nc(NC(=O)c2cnc3onc(C(C)C)c3c2)ccc1[N+](=O)[O-] ZINC000133725037 454460091 /nfs/dbraw/zinc/46/00/91/454460091.db2.gz PXUBPDOHCBIOSI-UHFFFAOYSA-N 0 0 341.327 3.210 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nc3cc(F)ccc3o2)c1 ZINC000121658092 454462317 /nfs/dbraw/zinc/46/23/17/454462317.db2.gz CWJVYQXOUQAGAL-UHFFFAOYSA-N 0 0 346.270 3.241 10 5 EGBERN COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000133891227 454479814 /nfs/dbraw/zinc/47/98/14/454479814.db2.gz JOBDTSYTYDQYSL-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000048804938 454517102 /nfs/dbraw/zinc/51/71/02/454517102.db2.gz JBXMOFOXRYROPI-ZDUSSCGKSA-N 0 0 341.367 3.028 10 5 EGBERN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000134217657 454517674 /nfs/dbraw/zinc/51/76/74/454517674.db2.gz CNCQZGJQLRGKIG-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN COc1ccc2cc3c4cc(OC)c(OC)cc4ccn3cc-2c1=O ZINC000103550281 454562101 /nfs/dbraw/zinc/56/21/01/454562101.db2.gz GSHUTQKWYGBTBF-UHFFFAOYSA-O 0 0 336.367 3.463 10 5 in-vitro EGBERN Cn1c2ccccc2n2c(SCc3csc([N+](=O)[O-])c3)nnc12 ZINC000080304270 454564727 /nfs/dbraw/zinc/56/47/27/454564727.db2.gz YPKFEHBAEQHNBX-UHFFFAOYSA-N 0 0 345.409 3.483 10 5 EGBERN CC1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)Cc2ccccc2C1 ZINC000092596423 454592150 /nfs/dbraw/zinc/59/21/50/454592150.db2.gz JAIJYLLXXDQGTB-UHFFFAOYSA-N 0 0 335.363 3.363 10 5 EGBERN C[S@@](=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000080541093 454596345 /nfs/dbraw/zinc/59/63/45/454596345.db2.gz NAXPOZUCVKIUFP-DEOSSOPVSA-N 0 0 343.364 3.066 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134881939 454602628 /nfs/dbraw/zinc/60/26/28/454602628.db2.gz AAJVYJVWIAEQAC-BLLLJJGKSA-N 0 0 335.404 3.160 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1)c1c(C)nn(C)c1C ZINC000092658382 454603040 /nfs/dbraw/zinc/60/30/40/454603040.db2.gz DMVCDDLMCKQSAW-AWEZNQCLSA-N 0 0 346.387 3.295 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nnc(C)[nH]1 ZINC000092664583 454604856 /nfs/dbraw/zinc/60/48/56/454604856.db2.gz UPLKVYBSCZGLPN-SECBINFHSA-N 0 0 327.291 3.186 10 5 EGBERN C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000052218633 454663631 /nfs/dbraw/zinc/66/36/31/454663631.db2.gz GOEQZVWEMSMONF-KBPBESRZSA-N 0 0 342.399 3.216 10 5 EGBERN CCc1cnc(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000081204126 454695234 /nfs/dbraw/zinc/69/52/34/454695234.db2.gz XJRYEIKGISQTSD-UHFFFAOYSA-N 0 0 347.440 3.250 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2o1 ZINC000124039094 454695613 /nfs/dbraw/zinc/69/56/13/454695613.db2.gz DKKUEOYBCUGPMF-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN COc1cc(CN2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453569 454717057 /nfs/dbraw/zinc/71/70/57/454717057.db2.gz XFZFZYZBMGNCTE-HNNXBMFYSA-N 0 0 343.383 3.350 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000162145140 454754345 /nfs/dbraw/zinc/75/43/45/454754345.db2.gz RGLHIHGZWMFZAL-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cs1 ZINC000153234446 454773492 /nfs/dbraw/zinc/77/34/92/454773492.db2.gz KPYZAQQRQQLYHK-UHFFFAOYSA-N 0 0 342.380 3.092 10 5 EGBERN Cc1ccc2c(c1)N(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000153631913 454814646 /nfs/dbraw/zinc/81/46/46/454814646.db2.gz AOQDWDYITGTSRX-UHFFFAOYSA-N 0 0 346.408 3.186 10 5 EGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000154060070 454861305 /nfs/dbraw/zinc/86/13/05/454861305.db2.gz FOXLMIZXPDDXFN-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000154185880 454872195 /nfs/dbraw/zinc/87/21/95/454872195.db2.gz GGFSVGCKGQTCOJ-GWCFXTLKSA-N 0 0 329.809 3.110 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515303 454903121 /nfs/dbraw/zinc/90/31/21/454903121.db2.gz LHOMZIBCIRZESJ-KSSFIOAISA-N 0 0 342.395 3.420 10 5 EGBERN COC(=O)c1cc(N2CCC(C(F)(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000177832531 454911132 /nfs/dbraw/zinc/91/11/32/454911132.db2.gz VVHJLQWAZKXYEW-UHFFFAOYSA-N 0 0 346.305 3.469 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167790859 454924072 /nfs/dbraw/zinc/92/40/72/454924072.db2.gz YQEVQMNHPDIJLT-JSGCOSHPSA-N 0 0 329.404 3.243 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ncc(Br)cn2)c2cccnc21 ZINC000127541894 454975217 /nfs/dbraw/zinc/97/52/17/454975217.db2.gz VFBMQICNQCNGSZ-UHFFFAOYSA-N 0 0 347.128 3.488 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](O)CN2CCc3[nH]c4ccccc4c3C2)c1 ZINC000178869079 454986422 /nfs/dbraw/zinc/98/64/22/454986422.db2.gz QKILVPXVTMIGGB-LJQANCHMSA-N 0 0 337.379 3.168 10 5 EGBERN Cc1cc(Br)ccc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000182381860 455502021 /nfs/dbraw/zinc/50/20/21/455502021.db2.gz MSLMUDYCBVEQJJ-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN Cc1nn(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000151669406 455015023 /nfs/dbraw/zinc/01/50/23/455015023.db2.gz VPKWMHSTEXOTBE-UHFFFAOYSA-N 0 0 331.372 3.412 10 5 EGBERN CCCn1nccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179174513 455016673 /nfs/dbraw/zinc/01/66/73/455016673.db2.gz PZYMCFOIYIDERI-UHFFFAOYSA-N 0 0 343.387 3.398 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128132934 455028513 /nfs/dbraw/zinc/02/85/13/455028513.db2.gz CRQZCRUFBGDILK-ZBEGNZNMSA-N 0 0 338.791 3.015 10 5 EGBERN CC(C)(C)c1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000155960843 455067013 /nfs/dbraw/zinc/06/70/13/455067013.db2.gz PFMBDBPTGIOGFX-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCCO1 ZINC000612561845 460661656 /nfs/dbraw/zinc/66/16/56/460661656.db2.gz HJOKLTLRQKXHIE-BXKDBHETSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000117805395 455094289 /nfs/dbraw/zinc/09/42/89/455094289.db2.gz NCAVACRFXYQEDP-OAHLLOKOSA-N 0 0 348.790 3.268 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc21 ZINC000152293724 455098460 /nfs/dbraw/zinc/09/84/60/455098460.db2.gz QZLRAAYAEJLIFJ-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000172036888 455112313 /nfs/dbraw/zinc/11/23/13/455112313.db2.gz CKMLKGHHOAGYAP-MGPLVRAMSA-N 0 0 328.324 3.107 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000129852734 455129872 /nfs/dbraw/zinc/12/98/72/455129872.db2.gz CEVNJXZEFBVEGL-UHFFFAOYSA-N 0 0 329.360 3.228 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000156878904 455155036 /nfs/dbraw/zinc/15/50/36/455155036.db2.gz SCGYNBLEICVQGA-UHFFFAOYSA-N 0 0 336.363 3.013 10 5 EGBERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183408592 455289655 /nfs/dbraw/zinc/28/96/55/455289655.db2.gz ZWLLDIXWZDTFQL-ZUZCIYMTSA-N 0 0 330.315 3.087 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000172754228 455182700 /nfs/dbraw/zinc/18/27/00/455182700.db2.gz RATHERXXSWWUJU-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189416459 455192905 /nfs/dbraw/zinc/19/29/05/455192905.db2.gz ANXFBXQOAUTRLB-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC000245204524 455281203 /nfs/dbraw/zinc/28/12/03/455281203.db2.gz CSASRJFSOBYKCA-HAQNSBGRSA-N 0 0 336.392 3.238 10 5 EGBERN CC(C)(C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265761941 455375912 /nfs/dbraw/zinc/37/59/12/455375912.db2.gz GTWHZDOFOBNMDR-UHFFFAOYSA-N 0 0 342.399 3.002 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174540427 455401435 /nfs/dbraw/zinc/40/14/35/455401435.db2.gz BWJZYZMLQLXCJI-QGZVFWFLSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000181951240 455404254 /nfs/dbraw/zinc/40/42/54/455404254.db2.gz YBAZKIHGSMCMKJ-UHFFFAOYSA-N 0 0 342.277 3.066 10 5 EGBERN O=C(Nc1nnc(C2CC2)s1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601004022 460671381 /nfs/dbraw/zinc/67/13/81/460671381.db2.gz UTQJKNKZMVLXMW-UHFFFAOYSA-N 0 0 344.396 3.384 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H](CC)C(=O)OCC ZINC000190941204 455410474 /nfs/dbraw/zinc/41/04/74/455410474.db2.gz NOPYLMJQSNBWPD-OAHLLOKOSA-N 0 0 336.388 3.097 10 5 EGBERN Cc1c(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000160307739 455445934 /nfs/dbraw/zinc/44/59/34/455445934.db2.gz LKAHEXZISRUPGK-LBPRGKRZSA-N 0 0 342.351 3.052 10 5 EGBERN COc1ccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000184856168 455461012 /nfs/dbraw/zinc/46/10/12/455461012.db2.gz KGISAFBUEAFZMK-VIFPVBQESA-N 0 0 344.302 3.339 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cc(C)cc3C)s2)n1 ZINC000191450306 455485499 /nfs/dbraw/zinc/48/54/99/455485499.db2.gz OUJDWECNWUPBAX-UHFFFAOYSA-N 0 0 345.384 3.290 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000191633775 455505907 /nfs/dbraw/zinc/50/59/07/455505907.db2.gz LUCBWMVYBFTUMS-LBPRGKRZSA-N 0 0 332.360 3.080 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000191637186 455506716 /nfs/dbraw/zinc/50/67/16/455506716.db2.gz FZKJKIHKKYRJOZ-ZFWWWQNUSA-N 0 0 342.399 3.077 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000191798659 455520887 /nfs/dbraw/zinc/52/08/87/455520887.db2.gz RONFSFUTRAOXAT-HNNXBMFYSA-N 0 0 342.399 3.221 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)n1 ZINC000191829116 455523946 /nfs/dbraw/zinc/52/39/46/455523946.db2.gz UGBBGBFSXDXNHI-SMDDNHRTSA-N 0 0 346.362 3.174 10 5 EGBERN CCc1nccn1[C@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185378308 455550514 /nfs/dbraw/zinc/55/05/14/455550514.db2.gz PKTAUFZRGPAIBI-ZDUSSCGKSA-N 0 0 330.388 3.204 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161286549 455556096 /nfs/dbraw/zinc/55/60/96/455556096.db2.gz MPSWSLDLLYTFDK-HZMBPMFUSA-N 0 0 332.322 3.291 10 5 EGBERN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000161533259 455578548 /nfs/dbraw/zinc/57/85/48/455578548.db2.gz PLUYMVPQPRCEAD-JTQLQIEISA-N 0 0 342.417 3.205 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2ccnc2)CC1 ZINC000185703060 455600859 /nfs/dbraw/zinc/60/08/59/455600859.db2.gz DIKQJOROYKZEDX-WYMLVPIESA-N 0 0 340.383 3.058 10 5 EGBERN CC(C)(C)C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271377162 455615775 /nfs/dbraw/zinc/61/57/75/455615775.db2.gz JMMPTJNRJHIYLG-UHFFFAOYSA-N 0 0 346.474 3.322 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000268231315 455625526 /nfs/dbraw/zinc/62/55/26/455625526.db2.gz OREUYQLRHSGUFD-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271425686 455632000 /nfs/dbraw/zinc/63/20/00/455632000.db2.gz QWIRSPGTAQKJFZ-IUPBHXKESA-N 0 0 348.790 3.109 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(NC(=O)C2CC2)cc1 ZINC000192505418 455633448 /nfs/dbraw/zinc/63/34/48/455633448.db2.gz ZSHDRWAMXIXSOW-UHFFFAOYSA-N 0 0 330.344 3.260 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000192794055 455694723 /nfs/dbraw/zinc/69/47/23/455694723.db2.gz CMWNELGNQJYFKS-UHFFFAOYSA-N 0 0 331.347 3.364 10 5 EGBERN COc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])c(C)cc1C ZINC000192896812 455713569 /nfs/dbraw/zinc/71/35/69/455713569.db2.gz UQBGJUVMVXIIOL-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000186244620 455724220 /nfs/dbraw/zinc/72/42/20/455724220.db2.gz ZVVFSUNFZOYRIW-HNNXBMFYSA-N 0 0 346.412 3.406 10 5 EGBERN Cn1cc([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cn1 ZINC000278277122 455804182 /nfs/dbraw/zinc/80/41/82/455804182.db2.gz YJSWTFLVDGJELE-LBPRGKRZSA-N 0 0 348.712 3.375 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000278731685 455845148 /nfs/dbraw/zinc/84/51/48/455845148.db2.gz WGBVGINPSKXCLS-BLLLJJGKSA-N 0 0 336.391 3.248 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc[nH]c1C1CC1 ZINC000285467239 455851627 /nfs/dbraw/zinc/85/16/27/455851627.db2.gz BXSBFFFNVAZJER-UHFFFAOYSA-N 0 0 333.775 3.426 10 5 EGBERN C[C@@H](CCO)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295572303 455853797 /nfs/dbraw/zinc/85/37/97/455853797.db2.gz NQTNHRXETVQWNT-CYBMUJFWSA-N 0 0 338.407 3.232 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000270038144 455862246 /nfs/dbraw/zinc/86/22/46/455862246.db2.gz ZQPATUTXCMOTSW-UHFFFAOYSA-N 0 0 344.396 3.237 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000272177101 455867465 /nfs/dbraw/zinc/86/74/65/455867465.db2.gz QIRALSFQALBCSE-BDAKNGLRSA-N 0 0 343.177 3.111 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000187341095 455897136 /nfs/dbraw/zinc/89/71/36/455897136.db2.gz UMSCKGIOGACCEN-LBPRGKRZSA-N 0 0 346.305 3.301 10 5 EGBERN CCC1(CC)CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000187566848 455926917 /nfs/dbraw/zinc/92/69/17/455926917.db2.gz STNQPSFPMZSBNA-WCYCAPIHSA-N 0 0 336.457 3.231 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000187820507 455956549 /nfs/dbraw/zinc/95/65/49/455956549.db2.gz RMMKASRHEDKHTR-UHFFFAOYSA-N 0 0 347.415 3.228 10 5 EGBERN COC(=O)c1cncc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000188050574 455986560 /nfs/dbraw/zinc/98/65/60/455986560.db2.gz GODRDAUMDSIMDR-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN CC[C@@H](C)NC(=O)c1cccc(CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000601105112 460712019 /nfs/dbraw/zinc/71/20/19/460712019.db2.gz VOIGXKUIFNMKSJ-LLVKDONJSA-N 0 0 346.362 3.269 10 5 EGBERN O=[N+]([O-])c1sc(NCc2ccccn2)nc1NCc1ccccn1 ZINC000301286359 456082044 /nfs/dbraw/zinc/08/20/44/456082044.db2.gz MUHVEPPOZIBGRC-UHFFFAOYSA-N 0 0 342.384 3.066 10 5 EGBERN CCC[C@]1(CO)CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000225518579 456089553 /nfs/dbraw/zinc/08/95/53/456089553.db2.gz MWUGYOZNCWJUSY-OAHLLOKOSA-N 0 0 330.331 3.328 10 5 EGBERN O=C(c1cn2ccnc2s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000188692753 456115150 /nfs/dbraw/zinc/11/51/50/456115150.db2.gz NLVMFQYUZQEZFL-UHFFFAOYSA-N 0 0 342.380 3.109 10 5 EGBERN CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000271076265 456119398 /nfs/dbraw/zinc/11/93/98/456119398.db2.gz RXVCWRWDJWSIPL-XJKSGUPXSA-N 0 0 346.774 3.027 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000301540504 456142278 /nfs/dbraw/zinc/14/22/78/456142278.db2.gz BTPOTMYXCCWLNV-UHFFFAOYSA-N 0 0 346.431 3.068 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000281175218 456154362 /nfs/dbraw/zinc/15/43/62/456154362.db2.gz QMCSZCMFCQNMMS-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000301633526 456169503 /nfs/dbraw/zinc/16/95/03/456169503.db2.gz JZCNMOWSHPWWPQ-SFHVURJKSA-N 0 0 346.358 3.495 10 5 EGBERN Cc1nn(CCC(=O)N(C)[C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263650808 456181497 /nfs/dbraw/zinc/18/14/97/456181497.db2.gz GUCAUOCCWDJFGC-ZDUSSCGKSA-N 0 0 330.388 3.018 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2ccc(F)cc2C1 ZINC000601131045 460723684 /nfs/dbraw/zinc/72/36/84/460723684.db2.gz FITAKFRBEBXXKN-UHFFFAOYSA-N 0 0 344.268 3.049 10 5 EGBERN CCO[C@@H](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)C ZINC000601124103 460720164 /nfs/dbraw/zinc/72/01/64/460720164.db2.gz MQHWQWNPTQXHSD-VIFPVBQESA-N 0 0 338.330 3.210 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1=O ZINC000281509663 456252059 /nfs/dbraw/zinc/25/20/59/456252059.db2.gz HSBXKMUGPFMRSO-GFCCVEGCSA-N 0 0 334.375 3.145 10 5 EGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(Cl)c1 ZINC000301961096 456259587 /nfs/dbraw/zinc/25/95/87/456259587.db2.gz HXDJDGMQJBPVLW-SNVBAGLBSA-N 0 0 347.762 3.170 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCCC[C@H]32)cc1OC(F)F ZINC000301969124 456261537 /nfs/dbraw/zinc/26/15/37/456261537.db2.gz ZTSOWOHBLVFVSO-DGCLKSJQSA-N 0 0 328.315 3.344 10 5 EGBERN CCc1noc(C)c1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297607551 456262571 /nfs/dbraw/zinc/26/25/71/456262571.db2.gz ZSWFKNKRMVDDIZ-UHFFFAOYSA-N 0 0 338.751 3.429 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(N2CCC(n3cncn3)CC2)c(Cl)c1 ZINC000302031024 456272360 /nfs/dbraw/zinc/27/23/60/456272360.db2.gz NEGKSNSRPJWCPV-UHFFFAOYSA-N 0 0 342.186 3.335 10 5 EGBERN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1Cc2ccccc2C1 ZINC000342877519 456289321 /nfs/dbraw/zinc/28/93/21/456289321.db2.gz FFXMECZJDSQQHB-UHFFFAOYSA-N 0 0 335.363 3.316 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc([N+](=O)[O-])ccc2C)c1 ZINC000302106813 456289397 /nfs/dbraw/zinc/28/93/97/456289397.db2.gz SHHLXWFDCVJVFD-UHFFFAOYSA-N 0 0 332.268 3.390 10 5 EGBERN Cn1cc(NC(=O)Nc2ccncc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000297823026 456303208 /nfs/dbraw/zinc/30/32/08/456303208.db2.gz QREXZCXJPXZUFP-UHFFFAOYSA-N 0 0 344.375 3.415 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3ccnc3)c2)c1 ZINC000302189554 456311662 /nfs/dbraw/zinc/31/16/62/456311662.db2.gz QPIWFMIKIQFIJY-UHFFFAOYSA-N 0 0 339.307 3.359 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H](C)c1cccnc1 ZINC000281763246 456313655 /nfs/dbraw/zinc/31/36/55/456313655.db2.gz SRTQZIXBHZNDGZ-CQSZACIVSA-N 0 0 343.383 3.287 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2Cl)CC[S@@]1=O ZINC000302226643 456322014 /nfs/dbraw/zinc/32/20/14/456322014.db2.gz SXGPFHUTIFQTMS-NRFANRHFSA-N 0 0 330.837 3.376 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000275819214 456323961 /nfs/dbraw/zinc/32/39/61/456323961.db2.gz PREAGCRBXGTQJP-RYUDHWBXSA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@H](NC(=O)NCc1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000297944047 456330232 /nfs/dbraw/zinc/33/02/32/456330232.db2.gz MEAXNWFPOAATJQ-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000342955808 456337143 /nfs/dbraw/zinc/33/71/43/456337143.db2.gz YVOZOAOTRXHOLZ-YIKOMLBNSA-N 0 0 335.404 3.015 10 5 EGBERN COc1cc(NC[C@@]2(O)CCCC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000302500433 456350117 /nfs/dbraw/zinc/35/01/17/456350117.db2.gz OGPWONYFWNNHFC-MRXNPFEDSA-N 0 0 326.368 3.486 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)c1[N+](=O)[O-] ZINC000343053404 456373623 /nfs/dbraw/zinc/37/36/23/456373623.db2.gz SQNPQDZGPXJEBC-UHFFFAOYSA-N 0 0 345.746 3.389 10 5 EGBERN C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC(F)(F)F ZINC000601176862 460741552 /nfs/dbraw/zinc/74/15/52/460741552.db2.gz SBQJBJVRUBCRKQ-YFKPBYRVSA-N 0 0 334.220 3.348 10 5 EGBERN CNC(=O)c1ccc(NCc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000302730461 456386288 /nfs/dbraw/zinc/38/62/88/456386288.db2.gz RYZKVCMXPJVGAB-UHFFFAOYSA-N 0 0 325.368 3.444 10 5 EGBERN COC(=O)c1cnc(N[C@H]2C[C@@H]2c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000302750844 456391186 /nfs/dbraw/zinc/39/11/86/456391186.db2.gz HBYJOPVXBKFEEW-CABZTGNLSA-N 0 0 349.293 3.023 10 5 EGBERN CC(C)c1cnc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148846 460731983 /nfs/dbraw/zinc/73/19/83/460731983.db2.gz GVBGONVJDKFSPF-INIZCTEOSA-N 0 0 335.429 3.172 10 5 EGBERN Cc1cnc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000302874248 456422767 /nfs/dbraw/zinc/42/27/67/456422767.db2.gz DTDGKJLQIHAZNG-NSHDSACASA-N 0 0 346.353 3.373 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340398848 456437695 /nfs/dbraw/zinc/43/76/95/456437695.db2.gz YQUQXIKKRYVXQI-KRWDZBQOSA-N 0 0 340.383 3.303 10 5 EGBERN CCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000298370797 456438210 /nfs/dbraw/zinc/43/82/10/456438210.db2.gz MDBXHAVOYQCCFU-UHFFFAOYSA-N 0 0 326.403 3.411 10 5 EGBERN Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(-c2cccnc2)n1 ZINC000337809217 456561163 /nfs/dbraw/zinc/56/11/63/456561163.db2.gz LORYLBZJGQXXSZ-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN O=C(c1coc(C2CCCC2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000337879556 456583828 /nfs/dbraw/zinc/58/38/28/456583828.db2.gz XCYJBKHPJWKCFO-UHFFFAOYSA-N 0 0 327.340 3.443 10 5 EGBERN Cc1nc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2o1 ZINC000348322424 456621873 /nfs/dbraw/zinc/62/18/73/456621873.db2.gz FSRSTQKVEXFCOL-UHFFFAOYSA-N 0 0 337.335 3.243 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000338009808 456654835 /nfs/dbraw/zinc/65/48/35/456654835.db2.gz BDQYXQCUYLYDQZ-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN COc1ccc(NC(=O)c2ccc3nc(C)oc3c2)cc1[N+](=O)[O-] ZINC000348397248 456665136 /nfs/dbraw/zinc/66/51/36/456665136.db2.gz GSRGKDZHQOXWIC-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN C[C@H](NC(=O)c1cc2nccnc2cc1F)c1ccccc1[N+](=O)[O-] ZINC000348416299 456676865 /nfs/dbraw/zinc/67/68/65/456676865.db2.gz AKHMNYNXLGVKKF-JTQLQIEISA-N 0 0 340.314 3.168 10 5 EGBERN Cc1c(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000353425513 456692873 /nfs/dbraw/zinc/69/28/73/456692873.db2.gz XPDXJFLVMQUNPU-UHFFFAOYSA-N 0 0 330.388 3.115 10 5 EGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277247733 456742667 /nfs/dbraw/zinc/74/26/67/456742667.db2.gz JWWRUICAWUNYOH-SCZZXKLOSA-N 0 0 327.178 3.276 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[C@@H](O)C(F)(F)F ZINC000338295089 456752753 /nfs/dbraw/zinc/75/27/53/456752753.db2.gz OJZMXNIHJKXVMU-SECBINFHSA-N 0 0 332.200 3.339 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000301223627 456824765 /nfs/dbraw/zinc/82/47/65/456824765.db2.gz AFZOJDARIUYUPN-UHFFFAOYSA-N 0 0 338.411 3.269 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301241719 456830249 /nfs/dbraw/zinc/83/02/49/456830249.db2.gz JYLMPXBMIOCABK-GTNSWQLSSA-N 0 0 325.368 3.300 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000301252023 456834342 /nfs/dbraw/zinc/83/43/42/456834342.db2.gz CHBSCHYALGRWTK-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN CO[C@H](C)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353908234 456960640 /nfs/dbraw/zinc/96/06/40/456960640.db2.gz UHJCGBNDNTYJPI-OLZOCXBDSA-N 0 0 340.445 3.347 10 5 EGBERN Cc1nc2ccccc2n1C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000339219732 456997962 /nfs/dbraw/zinc/99/79/62/456997962.db2.gz RGFCLLMDFJOVLT-OAHLLOKOSA-N 0 0 337.383 3.317 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356487479 457016884 /nfs/dbraw/zinc/01/68/84/457016884.db2.gz VXHROYWUQXOEDU-AEFFLSMTSA-N 0 0 344.342 3.203 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000358876067 457018337 /nfs/dbraw/zinc/01/83/37/457018337.db2.gz YNAOUWUAXAHZLV-UHFFFAOYSA-N 0 0 345.742 3.052 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ncc[nH]2)no1 ZINC000349778208 457048582 /nfs/dbraw/zinc/04/85/82/457048582.db2.gz PBSORPASJPWDSU-ZETCQYMHSA-N 0 0 335.707 3.161 10 5 EGBERN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356618003 457086401 /nfs/dbraw/zinc/08/64/01/457086401.db2.gz MHCVWOZEPNXNOD-BMLIUANNSA-N 0 0 337.335 3.328 10 5 EGBERN CC[C@@H](NC(=O)N1CCCCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000354144611 457092036 /nfs/dbraw/zinc/09/20/36/457092036.db2.gz UTGLZJHHBIJGHN-NVXWUHKLSA-N 0 0 349.431 3.383 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000359963261 457172912 /nfs/dbraw/zinc/17/29/12/457172912.db2.gz IUTGHJOKOSOTEY-HUUCEWRRSA-N 0 0 342.351 3.354 10 5 EGBERN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccon4)no3)cc21 ZINC000346861684 457186739 /nfs/dbraw/zinc/18/67/39/457186739.db2.gz LJIPOWLVJJMCCR-UHFFFAOYSA-N 0 0 330.303 3.386 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1nccs1)C(F)(F)F ZINC000356869153 457187928 /nfs/dbraw/zinc/18/79/28/457187928.db2.gz MTDINPLRKWQSKS-NSHDSACASA-N 0 0 345.302 3.014 10 5 EGBERN CCc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000354383503 457190887 /nfs/dbraw/zinc/19/08/87/457190887.db2.gz JQYNHPKJYXXZNX-UHFFFAOYSA-N 0 0 329.356 3.258 10 5 EGBERN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ncc[nH]4)no3)cc21 ZINC000350999871 457215307 /nfs/dbraw/zinc/21/53/07/457215307.db2.gz GTYLGTJNDBBGPG-UHFFFAOYSA-N 0 0 329.319 3.121 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347075253 457217423 /nfs/dbraw/zinc/21/74/23/457217423.db2.gz ALGFEPDCDRHUOJ-SGTLLEGYSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[C@H](C(F)(F)F)C3)n2)n1C ZINC000347135045 457249504 /nfs/dbraw/zinc/24/95/04/457249504.db2.gz JDVZFBNZTFDUFI-YUMQZZPRSA-N 0 0 345.281 3.133 10 5 EGBERN Cc1cc(C)nc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)c1 ZINC000356984417 457257169 /nfs/dbraw/zinc/25/71/69/457257169.db2.gz RSZLRNCNICJZRK-UHFFFAOYSA-N 0 0 325.328 3.269 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(OC)ccc2OC)c1 ZINC000360145368 457274042 /nfs/dbraw/zinc/27/40/42/457274042.db2.gz WCAAQAHWWIRFCM-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351457585 457293613 /nfs/dbraw/zinc/29/36/13/457293613.db2.gz RKOVTRSHULDWKU-UHFFFAOYSA-N 0 0 343.343 3.052 10 5 EGBERN COCC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000357058231 457302471 /nfs/dbraw/zinc/30/24/71/457302471.db2.gz KPVDGOUEENPMTF-HNNXBMFYSA-N 0 0 343.339 3.177 10 5 EGBERN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000342445372 457308269 /nfs/dbraw/zinc/30/82/69/457308269.db2.gz WLKWZFCZZOTXRF-HNNXBMFYSA-N 0 0 335.310 3.078 10 5 EGBERN COCC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000347286045 457331166 /nfs/dbraw/zinc/33/11/66/457331166.db2.gz FVZQGGPMCJCBHF-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000342494762 457334271 /nfs/dbraw/zinc/33/42/71/457334271.db2.gz MDXNANLLLQGONA-NSHDSACASA-N 0 0 329.356 3.310 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@@H](c2cccnc2)C2CC2)c2c(c1)COCO2 ZINC000340106696 457334550 /nfs/dbraw/zinc/33/45/50/457334550.db2.gz SLDMWAQCYUQOJV-QGZVFWFLSA-N 0 0 341.367 3.097 10 5 EGBERN CNC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000360762346 457340957 /nfs/dbraw/zinc/34/09/57/457340957.db2.gz FIKQIQMTPOIMBG-MRXNPFEDSA-N 0 0 347.802 3.215 10 5 EGBERN CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1)c1cccc(Cl)c1 ZINC000357140927 457342937 /nfs/dbraw/zinc/34/29/37/457342937.db2.gz FCMLQCRLOXECTB-GFCCVEGCSA-N 0 0 334.719 3.362 10 5 EGBERN Cc1cc(NC(=O)c2ccnc(C3CC3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360784477 457350799 /nfs/dbraw/zinc/35/07/99/457350799.db2.gz XCIVIKDXNBYBRX-UHFFFAOYSA-N 0 0 348.362 3.398 10 5 EGBERN COc1cc(NCC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000360788879 457354021 /nfs/dbraw/zinc/35/40/21/457354021.db2.gz ZXZUMPSIVKNYEI-CYBMUJFWSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1cnc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)nc1 ZINC000357180953 457362209 /nfs/dbraw/zinc/36/22/09/457362209.db2.gz CINBIHMCOLZUIV-UHFFFAOYSA-N 0 0 349.253 3.012 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347375961 457385896 /nfs/dbraw/zinc/38/58/96/457385896.db2.gz SPPLBZMUGHFQNH-FSBNRTBOSA-N 0 0 346.387 3.221 10 5 EGBERN COC(C)(C)c1nc(C)c(C(=O)NCc2ccccc2[N+](=O)[O-])s1 ZINC000352481124 457401587 /nfs/dbraw/zinc/40/15/87/457401587.db2.gz NFFNFLFXVZJUKW-UHFFFAOYSA-N 0 0 349.412 3.171 10 5 EGBERN COc1ccc(Cl)cc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000425038989 457414025 /nfs/dbraw/zinc/41/40/25/457414025.db2.gz RCMSJVYTEYKWGI-UHFFFAOYSA-N 0 0 337.763 3.250 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000363693047 457418075 /nfs/dbraw/zinc/41/80/75/457418075.db2.gz XFHNLRYLDVYFQU-HNNXBMFYSA-N 0 0 340.383 3.395 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000360907766 457426036 /nfs/dbraw/zinc/42/60/36/457426036.db2.gz SOHNUSDWUALUQC-SNVBAGLBSA-N 0 0 346.412 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369846950 457428873 /nfs/dbraw/zinc/42/88/73/457428873.db2.gz OPJBJWRXSMFEGG-HUUCEWRRSA-N 0 0 332.400 3.182 10 5 EGBERN C[C@H]1N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369897633 457449725 /nfs/dbraw/zinc/44/97/25/457449725.db2.gz KAPXCBCQMGPYAK-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccc4)no3)n2)nc1 ZINC000357330233 457450004 /nfs/dbraw/zinc/45/00/04/457450004.db2.gz NHDDWZMIIVUSEM-UHFFFAOYSA-N 0 0 349.306 3.286 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360978541 457483597 /nfs/dbraw/zinc/48/35/97/457483597.db2.gz FPGZLJADUIQCCD-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1ccnc(N2CCC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000369974325 457484582 /nfs/dbraw/zinc/48/45/82/457484582.db2.gz OKFUWBSYIAWLEX-GOSISDBHSA-N 0 0 325.368 3.324 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374162421 457502327 /nfs/dbraw/zinc/50/23/27/457502327.db2.gz NWECZEDZYYIKFB-IUHNQTRMSA-N 0 0 346.427 3.305 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000342777425 457517677 /nfs/dbraw/zinc/51/76/77/457517677.db2.gz ICBIGPYQSQUKQF-UHFFFAOYSA-N 0 0 332.257 3.123 10 5 EGBERN CCC(CC)n1ncc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000408517769 457575158 /nfs/dbraw/zinc/57/51/58/457575158.db2.gz SPRDAZBAZPZZDG-UHFFFAOYSA-N 0 0 331.376 3.295 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000357643316 457638263 /nfs/dbraw/zinc/63/82/63/457638263.db2.gz BWJTWHCBCSBRMA-SJLPKXTDSA-N 0 0 349.390 3.469 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000374573803 457663998 /nfs/dbraw/zinc/66/39/98/457663998.db2.gz WTBDGXAQXRLFNM-UHFFFAOYSA-N 0 0 327.340 3.090 10 5 EGBERN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000364868870 457708997 /nfs/dbraw/zinc/70/89/97/457708997.db2.gz HTYMRYNTXCOOTK-SECBINFHSA-N 0 0 337.330 3.364 10 5 EGBERN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)C(F)(F)F ZINC000357894086 457725884 /nfs/dbraw/zinc/72/58/84/457725884.db2.gz FTKZBYROIFFMMV-SECBINFHSA-N 0 0 343.305 3.418 10 5 EGBERN C[C@H]1N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000374944975 457738669 /nfs/dbraw/zinc/73/86/69/457738669.db2.gz JCYZXXLAPNTGAO-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC2CC1(C(F)(F)F)C2 ZINC000411118879 457806315 /nfs/dbraw/zinc/80/63/15/457806315.db2.gz VGNZHPMAVFRGDA-UHFFFAOYSA-N 0 0 328.290 3.081 10 5 EGBERN CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443759674 457810685 /nfs/dbraw/zinc/81/06/85/457810685.db2.gz HXCWVSKIKYWCKX-CJNGLKHVSA-N 0 0 340.445 3.325 10 5 EGBERN CCN(CC1CCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358159186 457823897 /nfs/dbraw/zinc/82/38/97/457823897.db2.gz ZJOWZSVOBRGBPU-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426738590 457889480 /nfs/dbraw/zinc/88/94/80/457889480.db2.gz XIQGQINAYBFXQU-ZDUSSCGKSA-N 0 0 341.415 3.079 10 5 EGBERN CCOC(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000411464247 457894410 /nfs/dbraw/zinc/89/44/10/457894410.db2.gz XUOZDBDSSGOADJ-GFCCVEGCSA-N 0 0 329.356 3.017 10 5 EGBERN COC1CCC(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426875599 457920358 /nfs/dbraw/zinc/92/03/58/457920358.db2.gz OTKOWVZOBPVWSH-UHFFFAOYSA-N 0 0 349.431 3.108 10 5 EGBERN Cc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000371452611 457937260 /nfs/dbraw/zinc/93/72/60/457937260.db2.gz PKCQSOBPIBIULH-UHFFFAOYSA-N 0 0 345.424 3.317 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000367853722 457986888 /nfs/dbraw/zinc/98/68/88/457986888.db2.gz GXCZYNDFHGCXEC-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1nnc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)s1 ZINC000444863407 457988851 /nfs/dbraw/zinc/98/88/51/457988851.db2.gz YJQMYPUBVULUBZ-UHFFFAOYSA-N 0 0 336.376 3.094 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000375780304 458061935 /nfs/dbraw/zinc/06/19/35/458061935.db2.gz OIWKIJLVPPJIGL-HNNXBMFYSA-N 0 0 344.371 3.352 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000371795071 458076983 /nfs/dbraw/zinc/07/69/83/458076983.db2.gz JZBLKLCJNGWMJE-UHFFFAOYSA-N 0 0 340.383 3.021 10 5 EGBERN Cc1ccc(N2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cc1 ZINC000369217079 458127054 /nfs/dbraw/zinc/12/70/54/458127054.db2.gz WPPVZNYUSGIYEY-UHFFFAOYSA-N 0 0 326.400 3.202 10 5 EGBERN Cc1ccsc1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000358698843 458157621 /nfs/dbraw/zinc/15/76/21/458157621.db2.gz XTTLGCMCVHCVCE-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c(=O)[nH]1 ZINC000446427999 458188410 /nfs/dbraw/zinc/18/84/10/458188410.db2.gz NHBMWVNMVUIJGL-UHFFFAOYSA-N 0 0 345.358 3.343 10 5 EGBERN Cn1cccc1[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362459588 458193945 /nfs/dbraw/zinc/19/39/45/458193945.db2.gz XHUCMNTVQXGSPU-INIZCTEOSA-N 0 0 349.337 3.118 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3ccccc3)cs2)c1=O ZINC000435795550 458205469 /nfs/dbraw/zinc/20/54/69/458205469.db2.gz RATQAAGNRLBQQN-UHFFFAOYSA-N 0 0 327.365 3.237 10 5 EGBERN CCc1ccc(CC)c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000435967978 458231546 /nfs/dbraw/zinc/23/15/46/458231546.db2.gz VHGLGUBMAWXYLZ-UHFFFAOYSA-N 0 0 327.384 3.431 10 5 EGBERN COc1cccc(C(=O)Nc2ncc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000435989734 458232124 /nfs/dbraw/zinc/23/21/24/458232124.db2.gz AFGAVLCAARZAGL-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000429091207 458270381 /nfs/dbraw/zinc/27/03/81/458270381.db2.gz ONBCAQSQFNSUOP-QMMMGPOBSA-N 0 0 338.772 3.370 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000436220629 458270826 /nfs/dbraw/zinc/27/08/26/458270826.db2.gz OCIHDHMRXCNJSH-QWHCGFSZSA-N 0 0 336.436 3.394 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=NC3CCC4(CCOCC4)CC3)[nH]c2c1 ZINC000447684610 458330166 /nfs/dbraw/zinc/33/01/66/458330166.db2.gz BZKAWRYEPXKPCG-UHFFFAOYSA-N 0 0 330.388 3.044 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCCN3c3nccs3)n2)c1 ZINC000372878526 458338750 /nfs/dbraw/zinc/33/87/50/458338750.db2.gz OAMYVKKSENXEIK-LBPRGKRZSA-N 0 0 343.368 3.443 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000429547220 458342594 /nfs/dbraw/zinc/34/25/94/458342594.db2.gz ITSHDFINBHSDMI-UHFFFAOYSA-N 0 0 349.318 3.073 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1ccccc1O ZINC000436890242 458400242 /nfs/dbraw/zinc/40/02/42/458400242.db2.gz SSEXBBHJCMKHER-UHFFFAOYSA-N 0 0 327.262 3.369 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430217740 458422649 /nfs/dbraw/zinc/42/26/49/458422649.db2.gz LKZJDVOQWWKQDC-GFCCVEGCSA-N 0 0 339.189 3.420 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000377223048 458491886 /nfs/dbraw/zinc/49/18/86/458491886.db2.gz JBBMWPGHWJHBFG-MRXNPFEDSA-N 0 0 339.395 3.393 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)[C@@H](C)O1 ZINC000437913936 458511034 /nfs/dbraw/zinc/51/10/34/458511034.db2.gz GYQZAGSSRDRQFI-OPRDCNLKSA-N 0 0 327.768 3.278 10 5 EGBERN COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1O ZINC000438089182 458530256 /nfs/dbraw/zinc/53/02/56/458530256.db2.gz UCVOVODQTUEUDE-UHFFFAOYSA-N 0 0 328.280 3.308 10 5 EGBERN COCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431182496 458541084 /nfs/dbraw/zinc/54/10/84/458541084.db2.gz MZZHFCMXDZNCSB-UHFFFAOYSA-N 0 0 331.166 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCc2cncn2Cc2ccccc2)n1 ZINC000438288899 458555852 /nfs/dbraw/zinc/55/58/52/458555852.db2.gz ASVOXZDBXVVRPG-UHFFFAOYSA-N 0 0 338.367 3.430 10 5 EGBERN COc1cc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192482 458581377 /nfs/dbraw/zinc/58/13/77/458581377.db2.gz IZDJNUVPFYWQGI-QZTJIDSGSA-N 0 0 346.358 3.339 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000462394333 458616392 /nfs/dbraw/zinc/61/63/92/458616392.db2.gz KSXJOWAUMNWLCZ-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN Cc1nn([C@@H](C)C(=O)N2CCSc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000494079933 458624782 /nfs/dbraw/zinc/62/47/82/458624782.db2.gz PNWRIUYNKGTOPH-LBPRGKRZSA-N 0 0 346.412 3.108 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000438887728 458626242 /nfs/dbraw/zinc/62/62/42/458626242.db2.gz RRZQQQDSVYNUTF-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(C)CCOCC1 ZINC000438947685 458632640 /nfs/dbraw/zinc/63/26/40/458632640.db2.gz ACGVLNMNKWUWCP-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN Cc1c(CC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470631222 458642074 /nfs/dbraw/zinc/64/20/74/458642074.db2.gz FOTRTSVGPRDERV-PWSUYJOCSA-N 0 0 330.306 3.245 10 5 EGBERN Cc1c(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470631223 458642201 /nfs/dbraw/zinc/64/22/01/458642201.db2.gz FOTRTSVGPRDERV-ZYHUDNBSSA-N 0 0 330.306 3.245 10 5 EGBERN CCC[C@@H](CCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000462880297 458663055 /nfs/dbraw/zinc/66/30/55/458663055.db2.gz BKLPWFCJWXRCAF-AWEZNQCLSA-N 0 0 342.399 3.302 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccncc1 ZINC000439163246 458664875 /nfs/dbraw/zinc/66/48/75/458664875.db2.gz FLIZFXXMMIVDDD-NSHDSACASA-N 0 0 333.775 3.313 10 5 EGBERN CCOC(=O)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000462900805 458665689 /nfs/dbraw/zinc/66/56/89/458665689.db2.gz DOEYPUQVDCMWKY-CQSZACIVSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955570 458669445 /nfs/dbraw/zinc/66/94/45/458669445.db2.gz MKMNEQMIGVCRGV-CMPLNLGQSA-N 0 0 345.321 3.114 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000471146485 458680819 /nfs/dbraw/zinc/68/08/19/458680819.db2.gz BAQGJQAATOGZAA-CYBMUJFWSA-N 0 0 326.352 3.199 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(N3CCOCC3)c2)n1 ZINC000432161837 458693015 /nfs/dbraw/zinc/69/30/15/458693015.db2.gz KDIYVROMQVIJRP-UHFFFAOYSA-N 0 0 342.399 3.055 10 5 EGBERN O=C(C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000432317529 458714121 /nfs/dbraw/zinc/71/41/21/458714121.db2.gz JOWSROAZLGPOFD-UHFFFAOYSA-N 0 0 337.807 3.087 10 5 EGBERN Cc1cc(C(=O)NCC(=O)C2CCC(F)(F)CC2)cc([N+](=O)[O-])c1 ZINC000424873556 458753414 /nfs/dbraw/zinc/75/34/14/458753414.db2.gz ACIJVNSUKMPXNK-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](C)OC)C(C)C ZINC000439867023 458759964 /nfs/dbraw/zinc/75/99/64/458759964.db2.gz PMBABMPDZQVLJN-GFCCVEGCSA-N 0 0 339.392 3.271 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000471983777 458760509 /nfs/dbraw/zinc/76/05/09/458760509.db2.gz DBMLWCSKIDRACN-CMPLNLGQSA-N 0 0 345.321 3.120 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000439924864 458765956 /nfs/dbraw/zinc/76/59/56/458765956.db2.gz AEPHBEUEKQFMJW-HUUCEWRRSA-N 0 0 346.427 3.148 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3cscn3)no2)ccc1OC(F)F ZINC000432689741 458771252 /nfs/dbraw/zinc/77/12/52/458771252.db2.gz KGAUBIVPOJMVAD-UHFFFAOYSA-N 0 0 340.267 3.370 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000440544157 458824075 /nfs/dbraw/zinc/82/40/75/458824075.db2.gz QLWZHSFNSMAYHJ-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473389199 458826425 /nfs/dbraw/zinc/82/64/25/458826425.db2.gz MFWFXWKXELGRQY-PSASIEDQSA-N 0 0 341.289 3.489 10 5 EGBERN CCCc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000518307614 458855236 /nfs/dbraw/zinc/85/52/36/458855236.db2.gz YJLTWUKWQYQAOQ-UHFFFAOYSA-N 0 0 328.368 3.356 10 5 EGBERN COC[C@H]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000457082945 458857999 /nfs/dbraw/zinc/85/79/99/458857999.db2.gz MFKPLFYXPJCEBA-OLZOCXBDSA-N 0 0 338.379 3.113 10 5 EGBERN O=C(NCCCCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000548296279 458860406 /nfs/dbraw/zinc/86/04/06/458860406.db2.gz JWDBPNSPBMCBRP-UHFFFAOYSA-N 0 0 331.347 3.272 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000474379561 458881011 /nfs/dbraw/zinc/88/10/11/458881011.db2.gz VNJLJVLMTDJSBV-GMTAPVOTSA-N 0 0 346.836 3.303 10 5 EGBERN COC(=O)c1cc(NCCOc2cccc(F)c2)cc(C)c1[N+](=O)[O-] ZINC000474779079 458899977 /nfs/dbraw/zinc/89/99/77/458899977.db2.gz VJNHOJNZNWDKBC-UHFFFAOYSA-N 0 0 348.330 3.320 10 5 EGBERN CC(C)CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000466631353 458910748 /nfs/dbraw/zinc/91/07/48/458910748.db2.gz VIJZTMDTPBQTBR-UHFFFAOYSA-N 0 0 344.371 3.257 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000590380174 459122451 /nfs/dbraw/zinc/12/24/51/459122451.db2.gz YVMVTEGYNJOCST-KWQFWETISA-N 0 0 334.319 3.239 10 5 EGBERN C[C@@H](CF)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590469644 459135728 /nfs/dbraw/zinc/13/57/28/459135728.db2.gz OWTNBTLBNSQMLH-AVGNSLFASA-N 0 0 337.395 3.165 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC000578107048 459144866 /nfs/dbraw/zinc/14/48/66/459144866.db2.gz UADOSNKOSIWNIE-AWEZNQCLSA-N 0 0 347.337 3.136 10 5 EGBERN Cc1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000578264381 459171852 /nfs/dbraw/zinc/17/18/52/459171852.db2.gz SOQKRUQZDATCEO-UHFFFAOYSA-N 0 0 326.352 3.277 10 5 EGBERN CCc1nnc(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000594912255 459173434 /nfs/dbraw/zinc/17/34/34/459173434.db2.gz UYOIBPBCMFVHOI-UHFFFAOYSA-N 0 0 339.398 3.088 10 5 EGBERN C[C@]1(F)CNCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000567848608 459176821 /nfs/dbraw/zinc/17/68/21/459176821.db2.gz SCXTWZWRDGKWFG-FQEVSTJZSA-N 0 0 337.398 3.162 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@]4(CNc5ccccc54)C3)nc2c1 ZINC000590700675 459187379 /nfs/dbraw/zinc/18/73/79/459187379.db2.gz XAOYVILGBOKZLY-SFHVURJKSA-N 0 0 335.367 3.045 10 5 EGBERN CCN(Cc1ccc(C)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000533096715 459188186 /nfs/dbraw/zinc/18/81/86/459188186.db2.gz MOIVDOKRIMLBAW-UHFFFAOYSA-N 0 0 348.424 3.255 10 5 EGBERN C[C@@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956642 459192348 /nfs/dbraw/zinc/19/23/48/459192348.db2.gz KJZGQLLCSBGQNK-ABAIWWIYSA-N 0 0 339.355 3.242 10 5 EGBERN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000594964930 459196387 /nfs/dbraw/zinc/19/63/87/459196387.db2.gz DTQOJYBUZGHCCR-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000522048846 459207550 /nfs/dbraw/zinc/20/75/50/459207550.db2.gz CYVCFVHPNAIFOX-BLLLJJGKSA-N 0 0 346.408 3.115 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000590768078 459210360 /nfs/dbraw/zinc/21/03/60/459210360.db2.gz KJBIWYGDVNMFRZ-HOCLYGCPSA-N 0 0 325.368 3.304 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1c(C2CCC2)cnn1C ZINC000595097473 459244050 /nfs/dbraw/zinc/24/40/50/459244050.db2.gz IRRPATNKNFNLBL-LBPRGKRZSA-N 0 0 344.415 3.455 10 5 EGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533545190 459252065 /nfs/dbraw/zinc/25/20/65/459252065.db2.gz JAXKZQVBVLRHJW-HNNXBMFYSA-N 0 0 348.399 3.407 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000590917148 459267476 /nfs/dbraw/zinc/26/74/76/459267476.db2.gz YGJRGZADPGQMLD-DOTOQJQBSA-N 0 0 325.368 3.398 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296752 459270523 /nfs/dbraw/zinc/27/05/23/459270523.db2.gz IUBXSRQPRBLGGL-HNNXBMFYSA-N 0 0 331.372 3.409 10 5 EGBERN CCCCC[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000595379773 459287245 /nfs/dbraw/zinc/28/72/45/459287245.db2.gz HOMIDMFPMSKUFN-CYBMUJFWSA-N 0 0 341.433 3.113 10 5 EGBERN C[C@H](C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560331112 459323179 /nfs/dbraw/zinc/32/31/79/459323179.db2.gz NRRJOSBJPATTFQ-KLHREVRGSA-N 0 0 326.396 3.369 10 5 EGBERN C[C@H](CC(C)(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482968638 459332456 /nfs/dbraw/zinc/33/24/56/459332456.db2.gz ZCOCIDMSBBCINZ-SNVBAGLBSA-N 0 0 331.376 3.391 10 5 EGBERN CCN(Cc1occc1C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000591265805 459343642 /nfs/dbraw/zinc/34/36/42/459343642.db2.gz UJHLLYKVPVRETP-UHFFFAOYSA-N 0 0 332.356 3.305 10 5 EGBERN COC(=O)c1cc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524551026 459370998 /nfs/dbraw/zinc/37/09/98/459370998.db2.gz SQDXRYYKXIRAAQ-OLZOCXBDSA-N 0 0 348.399 3.328 10 5 EGBERN Cc1ccc(-c2noc(C(F)(F)C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000582631037 459397935 /nfs/dbraw/zinc/39/79/35/459397935.db2.gz CJPFAGZEVCYOQE-UHFFFAOYSA-N 0 0 339.298 3.472 10 5 EGBERN O=C(CN1CCC[C@H](CCF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595754759 459427461 /nfs/dbraw/zinc/42/74/61/459427461.db2.gz BQOCHXKTYYGJFA-LLVKDONJSA-N 0 0 343.786 3.258 10 5 EGBERN COc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000595759733 459428725 /nfs/dbraw/zinc/42/87/25/459428725.db2.gz OZXPXZLMBOEXEI-UHFFFAOYSA-N 0 0 328.368 3.170 10 5 EGBERN CC[C@H](C)n1nc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1C ZINC000541113733 459428865 /nfs/dbraw/zinc/42/88/65/459428865.db2.gz STKCMDZDFHAQAK-JTQLQIEISA-N 0 0 332.360 3.023 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595760842 459430237 /nfs/dbraw/zinc/43/02/37/459430237.db2.gz UTOLBQRLLOLRAF-SFHVURJKSA-N 0 0 346.358 3.186 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595782789 459438088 /nfs/dbraw/zinc/43/80/88/459438088.db2.gz MDWXEGGZLOLKQD-MAZHCROVSA-N 0 0 335.404 3.303 10 5 EGBERN CCN(CCc1nccs1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569419737 459446988 /nfs/dbraw/zinc/44/69/88/459446988.db2.gz MFBIVXQEYWIFSD-GFCCVEGCSA-N 0 0 333.413 3.246 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816843 459451219 /nfs/dbraw/zinc/45/12/19/459451219.db2.gz YGOLQPDFUVUACG-GFCCVEGCSA-N 0 0 330.388 3.005 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595831988 459457559 /nfs/dbraw/zinc/45/75/59/459457559.db2.gz GSSOPQZTMCTWAG-AWEZNQCLSA-N 0 0 347.415 3.054 10 5 EGBERN COc1ccc(NC(=O)CN2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595833735 459457760 /nfs/dbraw/zinc/45/77/60/459457760.db2.gz LLVLEWJRJKFBLG-AWEZNQCLSA-N 0 0 347.415 3.054 10 5 EGBERN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891885 459478684 /nfs/dbraw/zinc/47/86/84/459478684.db2.gz QKCJLTBSRQBHGL-SMDDNHRTSA-N 0 0 332.322 3.179 10 5 EGBERN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595918090 459485838 /nfs/dbraw/zinc/48/58/38/459485838.db2.gz OMIGLAOVBPGHFF-XPTSAGLGSA-N 0 0 334.750 3.493 10 5 EGBERN CC(C)Oc1nc(N2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596000626 459492306 /nfs/dbraw/zinc/49/23/06/459492306.db2.gz GEWBBTVWMVMERP-UHFFFAOYSA-N 0 0 345.403 3.089 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000596045442 459500481 /nfs/dbraw/zinc/50/04/81/459500481.db2.gz CKFBAEJIRJRIQJ-UHFFFAOYSA-N 0 0 336.369 3.028 10 5 EGBERN C[C@@H]1C[C@H](C)N1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066219 459508824 /nfs/dbraw/zinc/50/88/24/459508824.db2.gz GGKUHDDSCMCOOI-DTORHVGOSA-N 0 0 346.168 3.182 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592006690 459509852 /nfs/dbraw/zinc/50/98/52/459509852.db2.gz PUPBEBOOHVFPNX-ZDUSSCGKSA-N 0 0 337.738 3.360 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592007684 459510294 /nfs/dbraw/zinc/51/02/94/459510294.db2.gz YCOYFPYEVYKUQB-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592047347 459515930 /nfs/dbraw/zinc/51/59/30/459515930.db2.gz HXBNZAAAIWISPQ-FZNQNYSPSA-N 0 0 349.431 3.125 10 5 EGBERN CC[C@@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124585 459529162 /nfs/dbraw/zinc/52/91/62/459529162.db2.gz WVAOFCDENWDEEH-RFAUZJTJSA-N 0 0 344.795 3.244 10 5 EGBERN CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1F ZINC000562324283 459539287 /nfs/dbraw/zinc/53/92/87/459539287.db2.gz ZKLXMTXEBZYCPB-UHFFFAOYSA-N 0 0 330.275 3.245 10 5 EGBERN CC[C@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596155943 459541568 /nfs/dbraw/zinc/54/15/68/459541568.db2.gz MFKYWASTYBDBOU-ZJUUUORDSA-N 0 0 342.779 3.039 10 5 EGBERN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596168014 459546104 /nfs/dbraw/zinc/54/61/04/459546104.db2.gz NAORCDLFZHEWAZ-OLZOCXBDSA-N 0 0 328.372 3.154 10 5 EGBERN COc1cc(N2CC[C@@H](Oc3ccncc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596214010 459562461 /nfs/dbraw/zinc/56/24/61/459562461.db2.gz AJUBGVZATQQSBU-GFCCVEGCSA-N 0 0 349.774 3.310 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CC(F)F ZINC000592257738 459562575 /nfs/dbraw/zinc/56/25/75/459562575.db2.gz JUZHQAUMKUVIPZ-VIFPVBQESA-N 0 0 331.319 3.406 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596215999 459562921 /nfs/dbraw/zinc/56/29/21/459562921.db2.gz INIZXEYTZJDBBB-ZETOZRRWSA-N 0 0 326.418 3.128 10 5 EGBERN COC(=O)c1c(Cl)c(NCCOCC2CCC2)ccc1[N+](=O)[O-] ZINC000596218837 459563806 /nfs/dbraw/zinc/56/38/06/459563806.db2.gz MIGGVKLQFPGOTL-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN Cc1c(CN(C)c2c(Br)cccc2[N+](=O)[O-])cnn1C ZINC000596216413 459563918 /nfs/dbraw/zinc/56/39/18/459563918.db2.gz IYNAOFUZQYEAFI-UHFFFAOYSA-N 0 0 339.193 3.036 10 5 EGBERN C/C(=C\c1nc(CC(=O)OC(C)(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000562474655 459568565 /nfs/dbraw/zinc/56/85/65/459568565.db2.gz KTGGBZJIDMONIV-PKNBQFBNSA-N 0 0 345.355 3.423 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCCN(c2ccccc2Cl)CC1 ZINC000596253259 459575935 /nfs/dbraw/zinc/57/59/35/459575935.db2.gz ZWKWPIUTYPKCMY-UHFFFAOYSA-N 0 0 332.791 3.360 10 5 EGBERN O=[N+]([O-])c1cc(N2CCO[C@]3(CCSC3)C2)ccc1C(F)(F)F ZINC000596286157 459584995 /nfs/dbraw/zinc/58/49/95/459584995.db2.gz KFWVXVGJIWWXKL-CYBMUJFWSA-N 0 0 348.346 3.326 10 5 EGBERN CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2ccnnc2)cc1OC ZINC000596292898 459586629 /nfs/dbraw/zinc/58/66/29/459586629.db2.gz MMZYUJFFRUOJQB-LBPRGKRZSA-N 0 0 347.371 3.397 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](c3ccccn3)C2)s1 ZINC000596306302 459591244 /nfs/dbraw/zinc/59/12/44/459591244.db2.gz OSYUEGKGERNLQJ-LLVKDONJSA-N 0 0 341.396 3.379 10 5 EGBERN O=C([O-])[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000592424607 459598813 /nfs/dbraw/zinc/59/88/13/459598813.db2.gz YNHREXHEBYWEOZ-DMRZNYOFSA-N 0 0 332.400 3.149 10 5 EGBERN Cc1ccc(C[C@@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000527209383 459607855 /nfs/dbraw/zinc/60/78/55/459607855.db2.gz GRVUGAGIYFVFNM-HNNXBMFYSA-N 0 0 337.379 3.467 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3c2c(F)ccc3F)cc1[N+](=O)[O-] ZINC000498910311 459610506 /nfs/dbraw/zinc/61/05/06/459610506.db2.gz LSGRIOPQNGFGLR-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596369077 459610878 /nfs/dbraw/zinc/61/08/78/459610878.db2.gz NCNDDXJASLKTFK-PBFPGSCMSA-N 0 0 345.399 3.121 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@](O)(C2CC2)C1 ZINC000596461350 459644780 /nfs/dbraw/zinc/64/47/80/459644780.db2.gz FYEWMAHTEFCARY-AWEZNQCLSA-N 0 0 330.306 3.355 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@](O)(C4CC4)C3)n2)cc1 ZINC000596462482 459645250 /nfs/dbraw/zinc/64/52/50/459645250.db2.gz KKBGHQGCWLDSEW-QGZVFWFLSA-N 0 0 345.424 3.460 10 5 EGBERN Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596480299 459651418 /nfs/dbraw/zinc/65/14/18/459651418.db2.gz MNNYXHGPCLHNRX-IINYFYTJSA-N 0 0 341.205 3.138 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596495325 459655928 /nfs/dbraw/zinc/65/59/28/459655928.db2.gz UXRSBOYDXQUWBG-ZJUUUORDSA-N 0 0 342.779 3.039 10 5 EGBERN CCc1nn(C)c(N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000596493782 459656208 /nfs/dbraw/zinc/65/62/08/459656208.db2.gz JZELSLFEVUTMFH-QWHCGFSZSA-N 0 0 336.436 3.429 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000596494058 459656378 /nfs/dbraw/zinc/65/63/78/459656378.db2.gz WVSKVRMVZICKFJ-JTQLQIEISA-N 0 0 344.314 3.197 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000592677570 459663581 /nfs/dbraw/zinc/66/35/81/459663581.db2.gz WKONRFXJLBJGAY-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N(CCC1CC1)CC1CC1 ZINC000596518286 459664197 /nfs/dbraw/zinc/66/41/97/459664197.db2.gz UFAAYBMWIAKWRK-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000592680164 459664453 /nfs/dbraw/zinc/66/44/53/459664453.db2.gz DNPJMHXSSDRRSI-UHFFFAOYSA-N 0 0 325.368 3.351 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2c(OC(F)F)cccc21 ZINC000584164849 459669376 /nfs/dbraw/zinc/66/93/76/459669376.db2.gz FHWGRIYGWMDXEJ-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000596544276 459671212 /nfs/dbraw/zinc/67/12/12/459671212.db2.gz OSXHMLUETOCZDM-SECBINFHSA-N 0 0 342.779 3.262 10 5 EGBERN CC(=O)c1cc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596553771 459674531 /nfs/dbraw/zinc/67/45/31/459674531.db2.gz HIFAICJLXSAGAU-BXKDBHETSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1cc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596553773 459674574 /nfs/dbraw/zinc/67/45/74/459674574.db2.gz HIFAICJLXSAGAU-CABZTGNLSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555992 459675086 /nfs/dbraw/zinc/67/50/86/459675086.db2.gz WDSDBWOINTWGFE-JGVFFNPUSA-N 0 0 339.701 3.189 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596559412 459677202 /nfs/dbraw/zinc/67/72/02/459677202.db2.gz YCOFOFNRSXTNOO-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@](C)(C(F)F)O1 ZINC000596573325 459682227 /nfs/dbraw/zinc/68/22/27/459682227.db2.gz KNGHCDUADUYUQJ-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN COc1cc(Cc2noc([C@H]3C[C@H]4C[C@H]4C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000596597296 459690624 /nfs/dbraw/zinc/69/06/24/459690624.db2.gz ODAOBAHAAHGCKG-IAZYJMLFSA-N 0 0 345.355 3.099 10 5 EGBERN C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)CC(F)F ZINC000592825871 459699511 /nfs/dbraw/zinc/69/95/11/459699511.db2.gz JCWQIECXGDSPBW-SECBINFHSA-N 0 0 338.314 3.006 10 5 EGBERN O=C1CCCCN1c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647362 459712633 /nfs/dbraw/zinc/71/26/33/459712633.db2.gz HEJQSVJQMRGPSM-UHFFFAOYSA-N 0 0 340.379 3.314 10 5 EGBERN CCCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCc2ncsc2C1 ZINC000592902844 459716900 /nfs/dbraw/zinc/71/69/00/459716900.db2.gz SSCQTYSWUPTJJI-NSHDSACASA-N 0 0 348.428 3.179 10 5 EGBERN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC2(CCCC2)O1 ZINC000592904341 459717767 /nfs/dbraw/zinc/71/77/67/459717767.db2.gz PBNGKSQLDKCGGC-LBPRGKRZSA-N 0 0 343.383 3.250 10 5 EGBERN COc1ccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592903965 459718489 /nfs/dbraw/zinc/71/84/89/459718489.db2.gz XLVSKVRBERGHMB-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592939081 459720344 /nfs/dbraw/zinc/72/03/44/459720344.db2.gz DNYYFTKTZQSQCS-UONOGXRCSA-N 0 0 348.399 3.143 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000573766977 459729995 /nfs/dbraw/zinc/72/99/95/459729995.db2.gz REERCAMKAJXGJR-KRWDZBQOSA-N 0 0 337.420 3.466 10 5 EGBERN COc1ccc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)nc1 ZINC000593041428 459751320 /nfs/dbraw/zinc/75/13/20/459751320.db2.gz OHSWWQLZQASWPO-UHFFFAOYSA-N 0 0 333.413 3.440 10 5 EGBERN O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000573897796 459752054 /nfs/dbraw/zinc/75/20/54/459752054.db2.gz VDBUQENJPKRLDL-CABCVRRESA-N 0 0 325.368 3.446 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000596788411 459762588 /nfs/dbraw/zinc/76/25/88/459762588.db2.gz RDFZXNHTXFMTAP-OAHLLOKOSA-N 0 0 343.330 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596788713 459763185 /nfs/dbraw/zinc/76/31/85/459763185.db2.gz VJUDKOXKMZCSFB-QGZVFWFLSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1cnc(CCN(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000584564076 459767526 /nfs/dbraw/zinc/76/75/26/459767526.db2.gz UWUAXIDQNVNCGK-GFCCVEGCSA-N 0 0 333.413 3.164 10 5 EGBERN COCC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000596845450 459776811 /nfs/dbraw/zinc/77/68/11/459776811.db2.gz UVLPZSHWVUUQFS-UHFFFAOYSA-N 0 0 337.376 3.074 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000596890559 459788232 /nfs/dbraw/zinc/78/82/32/459788232.db2.gz MIHWQNAWUWEJFX-NEPJUHHUSA-N 0 0 337.376 3.025 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000544879699 459789296 /nfs/dbraw/zinc/78/92/96/459789296.db2.gz SCTJPBNSKYPBDG-KUHUBIRLSA-N 0 0 348.443 3.221 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000596899218 459790535 /nfs/dbraw/zinc/79/05/35/459790535.db2.gz FOLVOOGDYJTIOH-ATCWAGBWSA-N 0 0 349.431 3.373 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584757662 459796668 /nfs/dbraw/zinc/79/66/68/459796668.db2.gz QLLLGDDADJPJDQ-KGLIPLIRSA-N 0 0 342.395 3.454 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCOC2CCC2)c1 ZINC000593197593 459804843 /nfs/dbraw/zinc/80/48/43/459804843.db2.gz QEUVVALGJFAEPP-UHFFFAOYSA-N 0 0 325.386 3.184 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593219178 459810590 /nfs/dbraw/zinc/81/05/90/459810590.db2.gz OQNKHHRYDBZSMW-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN COc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1O ZINC000566149968 459814691 /nfs/dbraw/zinc/81/46/91/459814691.db2.gz NKGWERHYGMTAMM-UHFFFAOYSA-N 0 0 329.356 3.195 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237796 459815845 /nfs/dbraw/zinc/81/58/45/459815845.db2.gz UKBQEGFTDBBANM-UHFFFAOYSA-N 0 0 338.282 3.163 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593254854 459821835 /nfs/dbraw/zinc/82/18/35/459821835.db2.gz RVJHCFIJUXIGQA-LKFCYVNXSA-N 0 0 326.343 3.356 10 5 EGBERN CN(C[C@H]1CC1(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092013 459835552 /nfs/dbraw/zinc/83/55/52/459835552.db2.gz IJHFMGBKCGKCKE-MRVPVSSYSA-N 0 0 326.784 3.340 10 5 EGBERN CCc1cccc(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000593316725 459838753 /nfs/dbraw/zinc/83/87/53/459838753.db2.gz HDKMXZDZPXFRRD-UHFFFAOYSA-N 0 0 343.383 3.165 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593332632 459849283 /nfs/dbraw/zinc/84/92/83/459849283.db2.gz JLSUSXKUDRPIQZ-IAQYHMDHSA-N 0 0 330.340 3.292 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598298046 459852440 /nfs/dbraw/zinc/85/24/40/459852440.db2.gz XGTWCIWLFACXLI-HOTGVXAUSA-N 0 0 346.427 3.380 10 5 EGBERN Cc1nn(CCC(=O)N(C)C(C)(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000585810136 459853746 /nfs/dbraw/zinc/85/37/46/459853746.db2.gz NZHRFYJCGDDRJE-UHFFFAOYSA-N 0 0 344.415 3.192 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593352683 459858760 /nfs/dbraw/zinc/85/87/60/459858760.db2.gz HHBZBXWOKNREIX-BBRMVZONSA-N 0 0 338.354 3.421 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000598345852 459874197 /nfs/dbraw/zinc/87/41/97/459874197.db2.gz HCSUXAXIYSTBOS-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000597212543 459878792 /nfs/dbraw/zinc/87/87/92/459878792.db2.gz VFAZWPLZOSIZFR-FZKQIMNGSA-N 0 0 328.368 3.323 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000598364669 459880099 /nfs/dbraw/zinc/88/00/99/459880099.db2.gz SMWVAYQWFWMJOZ-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN CO[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000598392364 459887135 /nfs/dbraw/zinc/88/71/35/459887135.db2.gz DBWHUBAYRBWNPN-MRXNPFEDSA-N 0 0 331.372 3.011 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000598397806 459888555 /nfs/dbraw/zinc/88/85/55/459888555.db2.gz AEEAIFHXYDVJJL-ZDUSSCGKSA-N 0 0 348.399 3.264 10 5 EGBERN CCCOc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587309786 459892405 /nfs/dbraw/zinc/89/24/05/459892405.db2.gz SIXCUJQJYQKVKV-UHFFFAOYSA-N 0 0 331.372 3.070 10 5 EGBERN CCCC(=O)NC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455068 459894225 /nfs/dbraw/zinc/89/42/25/459894225.db2.gz NUFGXBICPBPJLC-UHFFFAOYSA-N 0 0 342.399 3.028 10 5 EGBERN CCN(CC)C(=O)CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463245 459896841 /nfs/dbraw/zinc/89/68/41/459896841.db2.gz REHOCKVLQWZAAK-UHFFFAOYSA-N 0 0 330.388 3.204 10 5 EGBERN COc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CCC2)c1 ZINC000598427831 459896917 /nfs/dbraw/zinc/89/69/17/459896917.db2.gz WVCAMYAFIRIEQD-UHFFFAOYSA-N 0 0 341.367 3.116 10 5 EGBERN Nc1cc(NCCc2ccc(F)cc2Cl)cc(CO)c1[N+](=O)[O-] ZINC000587977914 459896995 /nfs/dbraw/zinc/89/69/95/459896995.db2.gz XJOVKIDAGBUCHU-UHFFFAOYSA-N 0 0 339.754 3.116 10 5 EGBERN C[C@]1(c2ccccc2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587985475 459898150 /nfs/dbraw/zinc/89/81/50/459898150.db2.gz IFYGCEIWHUXSGN-CRAIPNDOSA-N 0 0 336.351 3.386 10 5 EGBERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587982190 459898357 /nfs/dbraw/zinc/89/83/57/459898357.db2.gz PERNTVVIHCXCJW-YPMHNXCESA-N 0 0 345.374 3.191 10 5 EGBERN Nc1cc(NCC2(c3cccc(Cl)c3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982657 459898387 /nfs/dbraw/zinc/89/83/87/459898387.db2.gz FDNLVLORFMLJEG-UHFFFAOYSA-N 0 0 347.802 3.466 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000609011719 459899588 /nfs/dbraw/zinc/89/95/88/459899588.db2.gz IMWTZIFSMAAPAD-UHFFFAOYSA-N 0 0 342.351 3.110 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000593481970 459902329 /nfs/dbraw/zinc/90/23/29/459902329.db2.gz LXGCMKNDHBVDID-QGPMSJSTSA-N 0 0 327.384 3.273 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000598454709 459902359 /nfs/dbraw/zinc/90/23/59/459902359.db2.gz CNMUCKHCOLRITO-NILFDRSVSA-N 0 0 332.356 3.172 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCOC1(C)C ZINC000598453003 459902578 /nfs/dbraw/zinc/90/25/78/459902578.db2.gz CVIFQIFAFSRJDB-JTQLQIEISA-N 0 0 326.780 3.102 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1onc2c1CCCC2 ZINC000597283222 459903496 /nfs/dbraw/zinc/90/34/96/459903496.db2.gz VSOXDYFAHIZGNU-UHFFFAOYSA-N 0 0 343.383 3.214 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593485783 459903449 /nfs/dbraw/zinc/90/34/49/459903449.db2.gz XDBHQSKVROSOKT-KRWDZBQOSA-N 0 0 332.379 3.427 10 5 EGBERN C/C(=C/c1ccccc1)CN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588033055 459904601 /nfs/dbraw/zinc/90/46/01/459904601.db2.gz WSDRJRGOUHVHOQ-JYRVWZFOSA-N 0 0 327.384 3.209 10 5 EGBERN CSc1ccc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588039366 459905193 /nfs/dbraw/zinc/90/51/93/459905193.db2.gz OYRZTEJDURSYCJ-UHFFFAOYSA-N 0 0 333.413 3.046 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)N(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000588035663 459905501 /nfs/dbraw/zinc/90/55/01/459905501.db2.gz BTJJOERTQHFTQU-DZGCQCFKSA-N 0 0 341.411 3.360 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CC2)C2CCOCC2)s1 ZINC000593491808 459905699 /nfs/dbraw/zinc/90/56/99/459905699.db2.gz PZEUNOYTFUTVGI-ZDUSSCGKSA-N 0 0 334.401 3.217 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000598469489 459905904 /nfs/dbraw/zinc/90/59/04/459905904.db2.gz NMJLUENYVVKPMY-LBPRGKRZSA-N 0 0 343.358 3.118 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609128350 459906805 /nfs/dbraw/zinc/90/68/05/459906805.db2.gz YCJGIIRUDZWJOY-WCQYABFASA-N 0 0 334.372 3.268 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068420 459908664 /nfs/dbraw/zinc/90/86/64/459908664.db2.gz NLHZXGYOGZRQCL-RNCFNFMXSA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(CNc5ccccc54)C3)c2c1 ZINC000618166222 459914590 /nfs/dbraw/zinc/91/45/90/459914590.db2.gz DVEYPLICUNQBIU-IBGZPJMESA-N 0 0 347.378 3.112 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)c1 ZINC000598498252 459919516 /nfs/dbraw/zinc/91/95/16/459919516.db2.gz BXEPAIBUGNGYPN-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN CC[C@@H](NC(=O)Cc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000597348961 459924792 /nfs/dbraw/zinc/92/47/92/459924792.db2.gz LRTPYDGQVYNGRI-OAHLLOKOSA-N 0 0 329.356 3.270 10 5 EGBERN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000593581281 459927295 /nfs/dbraw/zinc/92/72/95/459927295.db2.gz PVZFMCPSUCQTOO-LLVKDONJSA-N 0 0 345.786 3.332 10 5 EGBERN C[C@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000598542141 459934506 /nfs/dbraw/zinc/93/45/06/459934506.db2.gz JFFDFZXTJBXSQW-ZOCIIQOWSA-N 0 0 344.411 3.118 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000598567152 459940218 /nfs/dbraw/zinc/94/02/18/459940218.db2.gz BASFRXQUBLGRQT-CLAHSXSESA-N 0 0 348.733 3.133 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000598567846 459941537 /nfs/dbraw/zinc/94/15/37/459941537.db2.gz HFAKRBRRJQRJHF-MEDUHNTESA-N 0 0 342.342 3.096 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000598570310 459942688 /nfs/dbraw/zinc/94/26/88/459942688.db2.gz DJGGWBKJJZLMLP-AWEZNQCLSA-N 0 0 348.733 3.053 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598570219 459942746 /nfs/dbraw/zinc/94/27/46/459942746.db2.gz GPCQVVQOCQKGRF-AWEZNQCLSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1sc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000609376088 459953897 /nfs/dbraw/zinc/95/38/97/459953897.db2.gz ITHNDXREEUVAIE-UHFFFAOYSA-N 0 0 347.396 3.112 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)n1 ZINC000575238308 459954538 /nfs/dbraw/zinc/95/45/38/459954538.db2.gz IGIITKVOPSZWDN-ZDUSSCGKSA-N 0 0 334.420 3.244 10 5 EGBERN CCS[C@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000613921714 459967593 /nfs/dbraw/zinc/96/75/93/459967593.db2.gz BWBJDYSBCHNNRO-KGLIPLIRSA-N 0 0 325.434 3.146 10 5 EGBERN CC(C)[C@@H]1N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC12CC=CC2 ZINC000593753095 459974542 /nfs/dbraw/zinc/97/45/42/459974542.db2.gz RBICNVDYRRSFAI-KRWDZBQOSA-N 0 0 332.375 3.480 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000593792991 459987954 /nfs/dbraw/zinc/98/79/54/459987954.db2.gz YTTPYSLKWYXJBS-MRXNPFEDSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000593816755 459993811 /nfs/dbraw/zinc/99/38/11/459993811.db2.gz QIGJTOODUROFOL-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC2CCC2)n1 ZINC000593814970 459994007 /nfs/dbraw/zinc/99/40/07/459994007.db2.gz XTSPZMGUAPWSGU-UHFFFAOYSA-N 0 0 329.360 3.028 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccnc2ccccc21 ZINC000588866852 459994157 /nfs/dbraw/zinc/99/41/57/459994157.db2.gz IICDSCJRMQMYBC-UHFFFAOYSA-N 0 0 343.289 3.024 10 5 EGBERN CCc1ccncc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000593857161 460004633 /nfs/dbraw/zinc/00/46/33/460004633.db2.gz UMOXBSIEJGBLED-UHFFFAOYSA-N 0 0 329.356 3.268 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCc3nn[nH]c32)cc1[N+](=O)[O-] ZINC000597633386 460014061 /nfs/dbraw/zinc/01/40/61/460014061.db2.gz YITBCSDYABOIRC-NSHDSACASA-N 0 0 343.387 3.069 10 5 EGBERN C[C@@H](Cc1ccco1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597660061 460020566 /nfs/dbraw/zinc/02/05/66/460020566.db2.gz UUIPGYNWSBVHQC-LBPRGKRZSA-N 0 0 341.367 3.207 10 5 EGBERN CNc1c(C(=O)N2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000597690852 460028337 /nfs/dbraw/zinc/02/83/37/460028337.db2.gz FGGFVDPURLPANM-ZDUSSCGKSA-N 0 0 340.383 3.051 10 5 EGBERN O=[N+]([O-])c1ncccc1Oc1nc(C2CC2)ncc1Br ZINC000589102642 460029691 /nfs/dbraw/zinc/02/96/91/460029691.db2.gz BJFZRQWQWKFHIA-UHFFFAOYSA-N 0 0 337.133 3.212 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC1(F)F ZINC000598785618 460033045 /nfs/dbraw/zinc/03/30/45/460033045.db2.gz XQUHQUAOHMVRKB-DTWKUNHWSA-N 0 0 348.733 3.177 10 5 EGBERN Cc1ccc(COCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000598804590 460041949 /nfs/dbraw/zinc/04/19/49/460041949.db2.gz YTNXXUHWFZWMOQ-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000609978838 460044251 /nfs/dbraw/zinc/04/42/51/460044251.db2.gz NZHXDPCRFVYQCQ-NSHDSACASA-N 0 0 329.331 3.197 10 5 EGBERN Cn1ncc(C2CCC2)c1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000598822040 460051652 /nfs/dbraw/zinc/05/16/52/460051652.db2.gz QKUSFHVXNJLJOI-UHFFFAOYSA-N 0 0 340.383 3.189 10 5 EGBERN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000598829598 460056833 /nfs/dbraw/zinc/05/68/33/460056833.db2.gz ZMVFJEMUCBHMOH-XLKFXECMSA-N 0 0 344.289 3.367 10 5 EGBERN CSc1cccc(C(=O)N2CC3(CCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000598868715 460075755 /nfs/dbraw/zinc/07/57/55/460075755.db2.gz KAFPVFKCMOBETI-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)OC[C@@H]2C)c1 ZINC000598868122 460076504 /nfs/dbraw/zinc/07/65/04/460076504.db2.gz HJJOEBXAZONKDZ-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594059251 460080521 /nfs/dbraw/zinc/08/05/21/460080521.db2.gz UZXKYRFFFBGIFP-ZDUSSCGKSA-N 0 0 344.415 3.395 10 5 EGBERN C[C@]1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1(F)F ZINC000618595956 460080863 /nfs/dbraw/zinc/08/08/63/460080863.db2.gz ROKWTZXBTGOGSN-GOSISDBHSA-N 0 0 342.345 3.456 10 5 EGBERN O=C(COc1ccsc1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598880225 460081524 /nfs/dbraw/zinc/08/15/24/460081524.db2.gz HLZKTFJDTTYRJI-UHFFFAOYSA-N 0 0 332.381 3.405 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCc2cccnc21 ZINC000594068119 460084771 /nfs/dbraw/zinc/08/47/71/460084771.db2.gz IMOPGENQRCDKAJ-UHFFFAOYSA-N 0 0 331.759 3.165 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000610222532 460086456 /nfs/dbraw/zinc/08/64/56/460086456.db2.gz USBBGERPEBMYKE-ZDUSSCGKSA-N 0 0 328.368 3.413 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594072963 460087054 /nfs/dbraw/zinc/08/70/54/460087054.db2.gz QNEHCJQWAIUNCF-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN CC(C)CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000597870540 460089190 /nfs/dbraw/zinc/08/91/90/460089190.db2.gz ONEQNOXYNVVBFR-UHFFFAOYSA-N 0 0 338.364 3.426 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](C(F)F)C1CCCCC1 ZINC000598895831 460089582 /nfs/dbraw/zinc/08/95/82/460089582.db2.gz WIJIJSROMBXBKR-HNNXBMFYSA-N 0 0 326.343 3.468 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000589502302 460097066 /nfs/dbraw/zinc/09/70/66/460097066.db2.gz SZFPNRUPMYROSC-UHFFFAOYSA-N 0 0 344.289 3.076 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597925326 460114505 /nfs/dbraw/zinc/11/45/05/460114505.db2.gz NGWOQAVRIRZLBP-GOSISDBHSA-N 0 0 332.400 3.359 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1C1CC1 ZINC000589679468 460126309 /nfs/dbraw/zinc/12/63/09/460126309.db2.gz FGIKUGILWKHLEE-KRWDZBQOSA-N 0 0 342.399 3.203 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC(C2CC2)C1 ZINC000589695303 460128647 /nfs/dbraw/zinc/12/86/47/460128647.db2.gz AZIRHGYIDPQSOQ-UHFFFAOYSA-N 0 0 337.248 3.490 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN1CC(c3ccccc3F)C1)OCCO2 ZINC000589737184 460133939 /nfs/dbraw/zinc/13/39/39/460133939.db2.gz MMSNBXRNVNDGAJ-UHFFFAOYSA-N 0 0 344.342 3.105 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000594164465 460135054 /nfs/dbraw/zinc/13/50/54/460135054.db2.gz JAFDDJOUOHJGCB-PWSUYJOCSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1c(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594165680 460135192 /nfs/dbraw/zinc/13/51/92/460135192.db2.gz QXZAOZSJPDJRIH-ZWNOBZJWSA-N 0 0 346.305 3.133 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000576406682 460135489 /nfs/dbraw/zinc/13/54/89/460135489.db2.gz IRBAODGUIITMRC-DZGCQCFKSA-N 0 0 349.406 3.405 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000614416002 460135731 /nfs/dbraw/zinc/13/57/31/460135731.db2.gz JGOBIGUKKMZSNR-LLVKDONJSA-N 0 0 331.397 3.245 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594173069 460136488 /nfs/dbraw/zinc/13/64/88/460136488.db2.gz BANXNJOVSBONDS-UONOGXRCSA-N 0 0 326.780 3.326 10 5 EGBERN C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000599057437 460143137 /nfs/dbraw/zinc/14/31/37/460143137.db2.gz PNULVQHEHUHXHR-CXAGYDPISA-N 0 0 337.383 3.427 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cscn1 ZINC000598013616 460143369 /nfs/dbraw/zinc/14/33/69/460143369.db2.gz ARRUWPUFYPJVLI-DGCLKSJQSA-N 0 0 333.413 3.497 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@]12CCCO2 ZINC000599067395 460148817 /nfs/dbraw/zinc/14/88/17/460148817.db2.gz VVXFUQWWKSDAIN-LZLYRXPVSA-N 0 0 343.383 3.282 10 5 EGBERN Cc1c(CC(=O)NC[C@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594206242 460151159 /nfs/dbraw/zinc/15/11/59/460151159.db2.gz KSRCNLMYDNBXLF-OAHLLOKOSA-N 0 0 332.400 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594205781 460151318 /nfs/dbraw/zinc/15/13/18/460151318.db2.gz YWZHDMBEIMSKFM-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN Nc1cc(NC[C@@H]2CCCCC(F)(F)C2)cc(CO)c1[N+](=O)[O-] ZINC000589870124 460153843 /nfs/dbraw/zinc/15/38/43/460153843.db2.gz XUYPDFHKQOSLKI-SNVBAGLBSA-N 0 0 329.347 3.297 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000610476540 460160034 /nfs/dbraw/zinc/16/00/34/460160034.db2.gz GLFGHGDBNRKFDV-INIZCTEOSA-N 0 0 330.388 3.027 10 5 EGBERN COc1cccc([C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])OC)c1 ZINC000599115427 460164102 /nfs/dbraw/zinc/16/41/02/460164102.db2.gz LZGVQVPWEGSSIB-HNNXBMFYSA-N 0 0 331.372 3.415 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@H](n1cccn1)C(F)(F)F ZINC000599119044 460165706 /nfs/dbraw/zinc/16/57/06/460165706.db2.gz WYYDFMCHMUQXKF-NSHDSACASA-N 0 0 330.266 3.015 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599120795 460167164 /nfs/dbraw/zinc/16/71/64/460167164.db2.gz ZFJUCNZKFZQTHV-XJKSGUPXSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1cn2c(n1)C[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)CC2 ZINC000599131947 460170298 /nfs/dbraw/zinc/17/02/98/460170298.db2.gz BUHXHPHVOSPQTN-GFCCVEGCSA-N 0 0 339.355 3.188 10 5 EGBERN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccncc1 ZINC000610517063 460172618 /nfs/dbraw/zinc/17/26/18/460172618.db2.gz VBSMVZQEQCOHML-NSHDSACASA-N 0 0 326.356 3.090 10 5 EGBERN COc1cc(Cc2noc(C[C@H](C)C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000599144879 460173520 /nfs/dbraw/zinc/17/35/20/460173520.db2.gz UIIGUTVPZXRNCA-QMMMGPOBSA-N 0 0 345.277 3.318 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000599145808 460175435 /nfs/dbraw/zinc/17/54/35/460175435.db2.gz AZYLLAKXPDQDPK-OCCSQVGLSA-N 0 0 349.431 3.411 10 5 EGBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599166930 460184628 /nfs/dbraw/zinc/18/46/28/460184628.db2.gz WJNAWQRPLHDKHW-ZWNOBZJWSA-N 0 0 342.779 3.018 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599189695 460193853 /nfs/dbraw/zinc/19/38/53/460193853.db2.gz UUWLCNMRVYGQHC-CQSZACIVSA-N 0 0 328.368 3.125 10 5 EGBERN Cc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000599195515 460196232 /nfs/dbraw/zinc/19/62/32/460196232.db2.gz JPEKJNDDPRSNRG-CUOATXAZSA-N 0 0 341.205 3.015 10 5 EGBERN COc1cc(-c2nc(-c3coc(C4CC4)n3)no2)cc([N+](=O)[O-])c1C ZINC000599195777 460196513 /nfs/dbraw/zinc/19/65/13/460196513.db2.gz IBZWPUOGSDTUTI-UHFFFAOYSA-N 0 0 342.311 3.494 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598210896 460204907 /nfs/dbraw/zinc/20/49/07/460204907.db2.gz ZLCKJBRANMDYOU-DUVNUKRYSA-N 0 0 330.384 3.110 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000598216020 460207661 /nfs/dbraw/zinc/20/76/61/460207661.db2.gz NJXZZBZTDPVRIL-MWLCHTKSSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598215655 460207701 /nfs/dbraw/zinc/20/77/01/460207701.db2.gz XQCHVYABPFSCFP-YRGRVCCFSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCCCO1 ZINC000594410276 460209562 /nfs/dbraw/zinc/20/95/62/460209562.db2.gz IVIIBGYZQBQWKH-DOMZBBRYSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594413917 460210726 /nfs/dbraw/zinc/21/07/26/460210726.db2.gz DBYVTBHUXIKSAN-LBPRGKRZSA-N 0 0 338.791 3.470 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](CCF)C1 ZINC000598221372 460210973 /nfs/dbraw/zinc/21/09/73/460210973.db2.gz RNIYIVJGMDJNPP-GFCCVEGCSA-N 0 0 335.379 3.381 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000594416162 460211477 /nfs/dbraw/zinc/21/14/77/460211477.db2.gz CJSZUYDVCHMTOS-OAHLLOKOSA-N 0 0 334.420 3.061 10 5 EGBERN CNc1c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594417178 460212163 /nfs/dbraw/zinc/21/21/63/460212163.db2.gz VXXRAFOUHJEBNG-CYBMUJFWSA-N 0 0 347.415 3.200 10 5 EGBERN COc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000598224372 460212426 /nfs/dbraw/zinc/21/24/26/460212426.db2.gz QHVSXSNFPNQXSS-UHFFFAOYSA-N 0 0 326.352 3.110 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C=CCCC2 ZINC000598234676 460217237 /nfs/dbraw/zinc/21/72/37/460217237.db2.gz WSEKNVFUISXXCO-UHFFFAOYSA-N 0 0 326.356 3.170 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000599507608 460264152 /nfs/dbraw/zinc/26/41/52/460264152.db2.gz DKZLZSSHGIZATN-UHFFFAOYSA-N 0 0 338.429 3.166 10 5 EGBERN C/C=C/C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599521416 460266735 /nfs/dbraw/zinc/26/67/35/460266735.db2.gz HVJXVGALXAWJJG-HSWBROFVSA-N 0 0 338.429 3.103 10 5 EGBERN CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611032784 460280801 /nfs/dbraw/zinc/28/08/01/460280801.db2.gz GCMXKMQNIJVKDV-INIZCTEOSA-N 0 0 340.445 3.373 10 5 EGBERN C/C=C\C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690679 460312122 /nfs/dbraw/zinc/31/21/22/460312122.db2.gz PBRALZUXAWCZGA-NQHOJNORSA-N 0 0 347.415 3.220 10 5 EGBERN CCC(CC)C(=O)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603555086 460320809 /nfs/dbraw/zinc/32/08/09/460320809.db2.gz ZHFZDIOMHPDNPD-AWEZNQCLSA-N 0 0 333.432 3.236 10 5 EGBERN COc1cc(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000599786472 460333276 /nfs/dbraw/zinc/33/32/76/460333276.db2.gz MTKYZKBZPREGFO-UHFFFAOYSA-N 0 0 333.348 3.268 10 5 EGBERN CSCCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829755 460342958 /nfs/dbraw/zinc/34/29/58/460342958.db2.gz KZQNLQVNIDGBME-UHFFFAOYSA-N 0 0 334.401 3.408 10 5 EGBERN CCOC(=O)[C@H](CNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611412210 460359392 /nfs/dbraw/zinc/35/93/92/460359392.db2.gz DZDRIRUWJNKEGS-ZDUSSCGKSA-N 0 0 334.397 3.490 10 5 EGBERN O=C([C@@H]1CC12CCN(c1sccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611414055 460360084 /nfs/dbraw/zinc/36/00/84/460360084.db2.gz DEGRFDQUZYKZFN-ZDUSSCGKSA-N 0 0 349.456 3.275 10 5 EGBERN Cc1cc(NC(=O)c2csc(-c3ncccn3)n2)ccc1[N+](=O)[O-] ZINC000611475433 460372574 /nfs/dbraw/zinc/37/25/74/460372574.db2.gz PPBLIEFQWGUWSD-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000600044226 460372559 /nfs/dbraw/zinc/37/25/59/460372559.db2.gz QVAKYJVZWWRWFI-CQSZACIVSA-N 0 0 345.399 3.013 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(CC)[nH][nH]1 ZINC000611480413 460374025 /nfs/dbraw/zinc/37/40/25/460374025.db2.gz MEPDZBIRNBBZRR-UHFFFAOYSA-N 0 0 348.428 3.447 10 5 EGBERN CC(C)=C[C@H]1[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000611484833 460374735 /nfs/dbraw/zinc/37/47/35/460374735.db2.gz TXFXWZVZKIXQFM-GOEBONIOSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C(C)(C)C ZINC000600080703 460378016 /nfs/dbraw/zinc/37/80/16/460378016.db2.gz GVZGOLWRUIJVDS-SNVBAGLBSA-N 0 0 334.351 3.084 10 5 EGBERN Cc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)co1 ZINC000619545157 460379563 /nfs/dbraw/zinc/37/95/63/460379563.db2.gz HSBROBNTCLBRRU-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN O=C(Nc1ccc2nccn2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513749 460384596 /nfs/dbraw/zinc/38/45/96/460384596.db2.gz UDVFTHKGQVCVLO-UHFFFAOYSA-N 0 0 348.265 3.096 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)c(O)c1 ZINC000619581739 460389805 /nfs/dbraw/zinc/38/98/05/460389805.db2.gz KJDMZIKREOTNAY-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OC(F)F)C2)c1 ZINC000611572793 460405359 /nfs/dbraw/zinc/40/53/59/460405359.db2.gz CJPZGUXPORJTDX-VIFPVBQESA-N 0 0 346.355 3.161 10 5 EGBERN Cc1c(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000600148398 460406179 /nfs/dbraw/zinc/40/61/79/460406179.db2.gz UPPVASULVUYRNK-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600162637 460414340 /nfs/dbraw/zinc/41/43/40/460414340.db2.gz UGUXDZOGLOBEHH-FOGDFJRCSA-N 0 0 340.326 3.362 10 5 EGBERN CCn1cc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cn1 ZINC000611616102 460415048 /nfs/dbraw/zinc/41/50/48/460415048.db2.gz PJKQNIHYNHKPJT-UHFFFAOYSA-N 0 0 329.404 3.207 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600170930 460418960 /nfs/dbraw/zinc/41/89/60/460418960.db2.gz TZKJFKLNDODFAA-OUAUKWLOSA-N 0 0 340.326 3.362 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(C2CCOCC2)C1 ZINC000619707342 460421246 /nfs/dbraw/zinc/42/12/46/460421246.db2.gz RZNSVSWZELJSCK-UHFFFAOYSA-N 0 0 339.779 3.139 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611667152 460425806 /nfs/dbraw/zinc/42/58/06/460425806.db2.gz BZZWUBSIBFPEML-PSASIEDQSA-N 0 0 332.278 3.016 10 5 EGBERN CCCN(CCc1ccccn1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709756 460435465 /nfs/dbraw/zinc/43/54/65/460435465.db2.gz VXXYGEHYAGEVHX-UHFFFAOYSA-N 0 0 337.383 3.392 10 5 EGBERN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000604562303 460448797 /nfs/dbraw/zinc/44/87/97/460448797.db2.gz MMKONWZDCOUPEB-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[C@H]2CCCCO2)c1 ZINC000611759102 460453261 /nfs/dbraw/zinc/45/32/61/460453261.db2.gz ZNNJEYJRIAZARL-OAHLLOKOSA-N 0 0 336.388 3.389 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000611763047 460454076 /nfs/dbraw/zinc/45/40/76/460454076.db2.gz MINGRHCIEXTQKV-UONOGXRCSA-N 0 0 348.399 3.024 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000619871368 460458736 /nfs/dbraw/zinc/45/87/36/460458736.db2.gz FCIHISWFIBVDBJ-HOTGVXAUSA-N 0 0 325.368 3.086 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600260076 460460032 /nfs/dbraw/zinc/46/00/32/460460032.db2.gz UNZILPCCFSHFRD-MGPLVRAMSA-N 0 0 332.381 3.107 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000600268148 460460956 /nfs/dbraw/zinc/46/09/56/460460956.db2.gz ODPHIIZHIQIVNM-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000600298102 460467035 /nfs/dbraw/zinc/46/70/35/460467035.db2.gz GAJIMWNYNSWUKJ-GOSISDBHSA-N 0 0 343.358 3.329 10 5 EGBERN Cn1c(C(=O)Nc2cccc(C3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000600428924 460494150 /nfs/dbraw/zinc/49/41/50/460494150.db2.gz XYZFFTGIKGAJJX-UHFFFAOYSA-N 0 0 329.356 3.080 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000600510988 460507881 /nfs/dbraw/zinc/50/78/81/460507881.db2.gz YVPSCDMOFBRVGI-LBPRGKRZSA-N 0 0 334.763 3.087 10 5 EGBERN CC1(C)CCC[C@@H](n2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)C1=O ZINC000600546061 460517663 /nfs/dbraw/zinc/51/76/63/460517663.db2.gz USYOREOCBPGLDS-GFCCVEGCSA-N 0 0 332.335 3.313 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600551758 460521399 /nfs/dbraw/zinc/52/13/99/460521399.db2.gz HJRVVJFXGXPAHO-MNOVXSKESA-N 0 0 346.305 3.003 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CCC(F)(F)CC1 ZINC000612064922 460524478 /nfs/dbraw/zinc/52/44/78/460524478.db2.gz FEKGXWIQHBLVHX-UHFFFAOYSA-N 0 0 328.315 3.301 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCc1ccccn1 ZINC000600582131 460533653 /nfs/dbraw/zinc/53/36/53/460533653.db2.gz WMHIJDSQPIPWPA-NSHDSACASA-N 0 0 347.396 3.259 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000612110733 460543467 /nfs/dbraw/zinc/54/34/67/460543467.db2.gz VJBAASHJUMKUPX-OAHLLOKOSA-N 0 0 331.347 3.403 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601157909 460736007 /nfs/dbraw/zinc/73/60/07/460736007.db2.gz IQRFNJMUGJRFHL-PHDIDXHHSA-N 0 0 346.231 3.124 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCC1(F)F ZINC000601171600 460739843 /nfs/dbraw/zinc/73/98/43/460739843.db2.gz OZVUMUKXCKFIPS-LURJTMIESA-N 0 0 328.241 3.194 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCOC2(CCC2)C1 ZINC000601170721 460740625 /nfs/dbraw/zinc/74/06/25/460740625.db2.gz COGIHXQSWJDCMQ-VIFPVBQESA-N 0 0 348.325 3.108 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@]1(C)CC1(F)F ZINC000601196104 460747727 /nfs/dbraw/zinc/74/77/27/460747727.db2.gz ZBADDOCYVIXEHE-SECBINFHSA-N 0 0 328.241 3.194 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCO[C@H](CC(F)(F)F)C3)c2c1 ZINC000601199268 460748285 /nfs/dbraw/zinc/74/82/85/460748285.db2.gz RORJAZYQMMJZGX-LLVKDONJSA-N 0 0 341.289 3.301 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)n1cccn1 ZINC000601198241 460748596 /nfs/dbraw/zinc/74/85/96/460748596.db2.gz SIKGXMJSGDRRIE-UHFFFAOYSA-N 0 0 326.303 3.240 10 5 EGBERN Cc1cc(NCC[C@H](O)C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000601222883 460755500 /nfs/dbraw/zinc/75/55/00/460755500.db2.gz TZRRIXPIDRRESZ-JTQLQIEISA-N 0 0 339.136 3.094 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCO[C@@H](C(F)F)CC1 ZINC000601232585 460758787 /nfs/dbraw/zinc/75/87/87/460758787.db2.gz UCEDPQHOHYTAGC-LLVKDONJSA-N 0 0 340.248 3.474 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCc3nnn(C4CC(C)C4)c3C2)c1 ZINC000601231567 460759015 /nfs/dbraw/zinc/75/90/15/460759015.db2.gz HNAHACMSPIWKAZ-UHFFFAOYSA-N 0 0 327.388 3.028 10 5 EGBERN COC(=O)c1cc(C2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000601252458 460766843 /nfs/dbraw/zinc/76/68/43/460766843.db2.gz XRDNBFBHOQLRKI-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN CC(C)Oc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC000612972779 460788858 /nfs/dbraw/zinc/78/88/58/460788858.db2.gz CXWJYEYMRXCBOG-UHFFFAOYSA-N 0 0 340.339 3.418 10 5 EGBERN Cc1cc(S(=O)(=O)N(C(C)C)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601335168 460789860 /nfs/dbraw/zinc/78/98/60/460789860.db2.gz QYTCMLMWLVJJDL-UHFFFAOYSA-N 0 0 332.447 3.306 10 5 EGBERN C[C@@H]1CCn2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)nc2C1 ZINC000601353837 460793876 /nfs/dbraw/zinc/79/38/76/460793876.db2.gz HKAHYHUFSYTKFI-SNVBAGLBSA-N 0 0 325.328 3.091 10 5 EGBERN COC1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601406954 460805839 /nfs/dbraw/zinc/80/58/39/460805839.db2.gz JWNFLWLMZSWOGD-UHFFFAOYSA-N 0 0 332.400 3.044 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(c1ccccc1)C1CCC1 ZINC000601500452 460819311 /nfs/dbraw/zinc/81/93/11/460819311.db2.gz VTEGURLSYUVRHL-UHFFFAOYSA-N 0 0 346.408 3.484 10 5 EGBERN O=C(NCC(F)(F)C(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601529671 460824547 /nfs/dbraw/zinc/82/45/47/460824547.db2.gz CCRKPRHGVRYWPJ-UHFFFAOYSA-N 0 0 334.269 3.033 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601544699 460828926 /nfs/dbraw/zinc/82/89/26/460828926.db2.gz ASXYNMAIUWQAHH-GOSISDBHSA-N 0 0 346.427 3.434 10 5 EGBERN O=C(N1CC[C@]2(C1)CCCOC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601560195 460832285 /nfs/dbraw/zinc/83/22/85/460832285.db2.gz RIKKICAGPPJJLC-SFHVURJKSA-N 0 0 344.411 3.046 10 5 EGBERN CCC(CC)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)OC ZINC000601605363 460845186 /nfs/dbraw/zinc/84/51/86/460845186.db2.gz VAVZZPRYHPWLOF-UHFFFAOYSA-N 0 0 334.416 3.338 10 5 EGBERN O=C(NC1CCC(OC(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601622468 460848758 /nfs/dbraw/zinc/84/87/58/460848758.db2.gz CYYWNYNJBGBCHD-UHFFFAOYSA-N 0 0 332.278 3.014 10 5 EGBERN O=C(N1CCC[C@@]2(CCOC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601627126 460851498 /nfs/dbraw/zinc/85/14/98/460851498.db2.gz QTOTYYYPBPAACD-GOSISDBHSA-N 0 0 344.411 3.046 10 5 EGBERN CC[C@H](NC(=O)c1cncc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000613185509 460856140 /nfs/dbraw/zinc/85/61/40/460856140.db2.gz RFRJUFUYILTOFY-INIZCTEOSA-N 0 0 329.356 3.017 10 5 EGBERN CC(C)(C)OCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601673108 460865409 /nfs/dbraw/zinc/86/54/09/460865409.db2.gz RWLPTYGSVIICGA-UHFFFAOYSA-N 0 0 334.416 3.338 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccccc2F)CC1 ZINC000601735468 460886238 /nfs/dbraw/zinc/88/62/38/460886238.db2.gz FEDLLYQUSVCTAV-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(CCF)CC1 ZINC000601745803 460887684 /nfs/dbraw/zinc/88/76/84/460887684.db2.gz YCDRKEFKZDOBHJ-UHFFFAOYSA-N 0 0 337.395 3.385 10 5 EGBERN O=C(NC1COC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000601841862 460920150 /nfs/dbraw/zinc/92/01/50/460920150.db2.gz ADAYWLQNLGCWDG-UHFFFAOYSA-N 0 0 336.413 3.006 10 5 EGBERN COCc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC ZINC000601880710 460934838 /nfs/dbraw/zinc/93/48/38/460934838.db2.gz BIDAYEVPRXTCLJ-UHFFFAOYSA-N 0 0 336.369 3.372 10 5 EGBERN CCOC(=O)c1ncc(CNc2cc([N+](=O)[O-])ccc2CC)s1 ZINC000601927797 460947210 /nfs/dbraw/zinc/94/72/10/460947210.db2.gz XHIOEMYKNOKZOZ-UHFFFAOYSA-N 0 0 335.385 3.403 10 5 EGBERN C[C@@H](C(=O)N[C@@H](C)C(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000617752357 460966726 /nfs/dbraw/zinc/96/67/26/460966726.db2.gz VHWBMAZZHWTXOE-KGLIPLIRSA-N 0 0 340.379 3.015 10 5 EGBERN C[C@H](C(=O)N1CC[C@H](Cc2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762850 460969977 /nfs/dbraw/zinc/96/99/77/460969977.db2.gz DUZPINIVEBJMAD-GOEBONIOSA-N 0 0 339.395 3.185 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC(C2CC2)C1 ZINC000643290656 461669894 /nfs/dbraw/zinc/66/98/94/461669894.db2.gz VIACFELPWZRTHL-UHFFFAOYSA-N 0 0 332.403 3.023 10 5 EGBERN CCCc1nc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC000566216136 517619439 /nfs/dbraw/zinc/61/94/39/517619439.db2.gz POSCCQJTJAZEKH-UHFFFAOYSA-N 0 0 333.413 3.093 10 5 EGBERN COCc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000161878786 536797263 /nfs/dbraw/zinc/79/72/63/536797263.db2.gz AVGVVGBZSGIEQO-OAHLLOKOSA-N 0 0 345.355 3.015 10 5 EGBERN CC[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000726008215 574522538 /nfs/dbraw/zinc/52/25/38/574522538.db2.gz TZKPRFBJZXOTEV-CYBMUJFWSA-N 0 0 348.355 3.315 10 5 EGBERN CC(C)Oc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000726431160 574552860 /nfs/dbraw/zinc/55/28/60/574552860.db2.gz OXDUUSAOXSZUDF-UHFFFAOYSA-N 0 0 340.177 3.389 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000728202172 574729486 /nfs/dbraw/zinc/72/94/86/574729486.db2.gz UKBXODVHFCAPPY-IOASZLSFSA-N 0 0 331.416 3.041 10 5 EGBERN C[C@H](OC(=O)COc1ccccc1C=O)c1cccc([N+](=O)[O-])c1 ZINC000728909089 574785916 /nfs/dbraw/zinc/78/59/16/574785916.db2.gz JRKIBVWFIAZARV-LBPRGKRZSA-N 0 0 329.308 3.091 10 5 EGBERN CCC(C)(C)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000729196330 574822762 /nfs/dbraw/zinc/82/27/62/574822762.db2.gz YUZVALQFZLWIFF-UHFFFAOYSA-N 0 0 335.404 3.186 10 5 EGBERN COc1ccc2[nH]cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000730362906 574978029 /nfs/dbraw/zinc/97/80/29/574978029.db2.gz VXMGNESFEOOJCF-UHFFFAOYSA-N 0 0 326.308 3.442 10 5 EGBERN CC[C@@H](CCOC)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000754582162 575061103 /nfs/dbraw/zinc/06/11/03/575061103.db2.gz GZJBAVZXZQMFOK-YPMHNXCESA-N 0 0 327.402 3.434 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000731993707 575229980 /nfs/dbraw/zinc/22/99/80/575229980.db2.gz JISOHXUVBBJEJQ-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN CC(C)c1cnc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000733303707 575324522 /nfs/dbraw/zinc/32/45/22/575324522.db2.gz CMDGUPDTNZAMLD-UHFFFAOYSA-N 0 0 330.388 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(CNCc2nc(-c3ccncc3)cs2)cc1 ZINC000733331825 575328941 /nfs/dbraw/zinc/32/89/41/575328941.db2.gz UHVSTLGRCLLJOP-UHFFFAOYSA-N 0 0 326.381 3.403 10 5 EGBERN C[C@@H](OC(=O)COc1cccc(C=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000733596220 575370897 /nfs/dbraw/zinc/37/08/97/575370897.db2.gz UVTJMPSFKMFXIL-GFCCVEGCSA-N 0 0 329.308 3.091 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000734402248 575480073 /nfs/dbraw/zinc/48/00/73/575480073.db2.gz JXSIVNNUIAALKL-ZIAGYGMSSA-N 0 0 344.415 3.277 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000734402247 575480098 /nfs/dbraw/zinc/48/00/98/575480098.db2.gz JXSIVNNUIAALKL-UONOGXRCSA-N 0 0 344.415 3.277 10 5 EGBERN C[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccccc1[N+](=O)[O-] ZINC000734707387 575544332 /nfs/dbraw/zinc/54/43/32/575544332.db2.gz KPFVSMSUAQHMFF-GFCCVEGCSA-N 0 0 338.323 3.094 10 5 EGBERN O=C(/C=C/C1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000735423556 575659416 /nfs/dbraw/zinc/65/94/16/575659416.db2.gz CMICECICEAUBIC-ZHACJKMWSA-N 0 0 343.427 3.380 10 5 EGBERN COC(=O)c1cc(Cl)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000741905866 576010260 /nfs/dbraw/zinc/01/02/60/576010260.db2.gz CCEGMJBGVANIIJ-UHFFFAOYSA-N 0 0 349.726 3.183 10 5 EGBERN C/C(=C/C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000742007817 576741527 /nfs/dbraw/zinc/74/15/27/576741527.db2.gz RFEZHDNIICGUGR-QBFSEMIESA-N 0 0 328.343 3.496 10 5 EGBERN CC[C@@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000743544907 576811601 /nfs/dbraw/zinc/81/16/01/576811601.db2.gz LGWKBNJZYLUVSN-CYBMUJFWSA-N 0 0 336.779 3.021 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000745389563 576847322 /nfs/dbraw/zinc/84/73/22/576847322.db2.gz PADNZGAAWUOXKD-UHFFFAOYSA-N 0 0 344.367 3.381 10 5 EGBERN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccccc1F ZINC000007947068 1291096795 /nfs/dbraw/zinc/09/67/95/1291096795.db2.gz KGHSFPFRJUNOSB-AATRIKPKSA-N 0 0 344.298 3.252 10 5 EGBERN C[C@@H](NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000009691546 1291110504 /nfs/dbraw/zinc/11/05/04/1291110504.db2.gz FBYGJKJZUPDOJJ-ORAHPGNNSA-N 0 0 346.364 3.276 10 5 EGBERN Cc1cc(C)c(OC(=O)Cn2ncc3ccccc32)c([N+](=O)[O-])c1 ZINC000107092775 1293060172 /nfs/dbraw/zinc/06/01/72/1293060172.db2.gz BJMNHPWVJFNXBA-UHFFFAOYSA-N 0 0 325.324 3.167 10 5 EGBERN C/C(=C/c1ccc(Cl)cc1)C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000119182218 1293258921 /nfs/dbraw/zinc/25/89/21/1293258921.db2.gz IPISQTKNKBHBQO-LUAWRHEFSA-N 0 0 349.774 3.400 10 5 EGBERN CC(=O)c1ccc(C)cc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151461609 1293926027 /nfs/dbraw/zinc/92/60/27/1293926027.db2.gz WIOKYAUZGUDMQA-UHFFFAOYSA-N 0 0 349.364 3.015 10 5 EGBERN CN(C(=O)c1ccnc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000159191718 1294228195 /nfs/dbraw/zinc/22/81/95/1294228195.db2.gz BCBCENDQDRFBGZ-UHFFFAOYSA-N 0 0 336.145 3.029 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccn(C2CC2)c1=O ZINC000869991683 1295583176 /nfs/dbraw/zinc/58/31/76/1295583176.db2.gz BPMLFEDDQULPMA-UHFFFAOYSA-N 0 0 348.742 3.102 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000869999505 1295586855 /nfs/dbraw/zinc/58/68/55/1295586855.db2.gz INFHCZLTRDMQMA-FUNVUKJBSA-N 0 0 337.397 3.485 10 5 EGBERN C[C@H](c1ccccc1F)[C@H](O)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000870073751 1295626908 /nfs/dbraw/zinc/62/69/08/1295626908.db2.gz HYJCWGYCNWDIPG-OTYXRUKQSA-N 0 0 339.344 3.003 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)OCc1ccsc1C(F)(F)F ZINC000870575886 1295953029 /nfs/dbraw/zinc/95/30/29/1295953029.db2.gz MWKYLFROSCDHIH-UHFFFAOYSA-N 0 0 349.290 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnc(C2CC2)nc1 ZINC000870701896 1296029462 /nfs/dbraw/zinc/02/94/62/1296029462.db2.gz XTNTVGAMNULTAU-UHFFFAOYSA-N 0 0 327.340 3.236 10 5 EGBERN CCc1ccc([C@@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829438 1296106098 /nfs/dbraw/zinc/10/60/98/1296106098.db2.gz LFRSNCUMBIQXMC-OLJMKKDRSA-N 0 0 343.383 3.404 10 5 EGBERN CC(C)(CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829780 1296107914 /nfs/dbraw/zinc/10/79/14/1296107914.db2.gz QJAHYERYHWRQGS-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000871301473 1296330900 /nfs/dbraw/zinc/33/09/00/1296330900.db2.gz HKALAEVIWYGACU-DKYWFLSFSA-N 0 0 344.411 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC2CC3(CSC3)C2)cc1Cl ZINC000871505457 1296418650 /nfs/dbraw/zinc/41/86/50/1296418650.db2.gz VNLGQYKSBZAFKJ-UHFFFAOYSA-N 0 0 326.805 3.182 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2CC3(CCC3)CO2)c(F)c1F ZINC000871677224 1296476446 /nfs/dbraw/zinc/47/64/46/1296476446.db2.gz BTDLTBFBWROOAU-ZETCQYMHSA-N 0 0 335.253 3.489 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000871756567 1296520737 /nfs/dbraw/zinc/52/07/37/1296520737.db2.gz XGXJMHPVPALPGS-JOYOIKCWSA-N 0 0 347.293 3.168 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc2c(c1)CCN(C)C2=O ZINC000871865165 1296578368 /nfs/dbraw/zinc/57/83/68/1296578368.db2.gz SVLGQUHBEUUDNL-UHFFFAOYSA-N 0 0 339.395 3.452 10 5 EGBERN Cc1cc(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000871868257 1296579144 /nfs/dbraw/zinc/57/91/44/1296579144.db2.gz YOXIJOHUNXJUQB-FUHWJXTLSA-N 0 0 341.367 3.285 10 5 EGBERN Cc1cccc(OC[C@H](O)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026974 1296673630 /nfs/dbraw/zinc/67/36/30/1296673630.db2.gz JGRYTHOILAHLDU-ZIAGYGMSSA-N 0 0 348.374 3.133 10 5 EGBERN C[C@@H](NCc1n[nH]cc1Br)c1c(F)cccc1[N+](=O)[O-] ZINC000872037574 1296687694 /nfs/dbraw/zinc/68/76/94/1296687694.db2.gz GHDAGCFLPUFJGX-SSDOTTSWSA-N 0 0 343.156 3.070 10 5 EGBERN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083217 1296724101 /nfs/dbraw/zinc/72/41/01/1296724101.db2.gz IXLAUMMLDKQIPW-XHDPSFHLSA-N 0 0 343.358 3.338 10 5 EGBERN C[C@H](C(=O)N1CCCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000872292586 1296901324 /nfs/dbraw/zinc/90/13/24/1296901324.db2.gz IBNOBLSOZSQKDK-ZDUSSCGKSA-N 0 0 325.368 3.463 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000873574952 1297599454 /nfs/dbraw/zinc/59/94/54/1297599454.db2.gz QFZDXTQTWLFQTL-IUODEOHRSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)[C@H]1C[C@@H](OC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000873575672 1297600438 /nfs/dbraw/zinc/60/04/38/1297600438.db2.gz SLPIOVOXJRTUAM-LSDHHAIUSA-N 0 0 337.372 3.111 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H]1CCOC2(CCCC2)C1 ZINC000873581995 1297608306 /nfs/dbraw/zinc/60/83/06/1297608306.db2.gz YHALVWNKURTTQT-OAHLLOKOSA-N 0 0 335.356 3.009 10 5 EGBERN C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccncc1Br ZINC000873636248 1297643098 /nfs/dbraw/zinc/64/30/98/1297643098.db2.gz JKNZRPZGHLRQBN-VIFPVBQESA-N 0 0 345.193 3.284 10 5 EGBERN C[C@H](NC(=O)NC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000875625317 1298412255 /nfs/dbraw/zinc/41/22/55/1298412255.db2.gz IDZQRRGXFOAEHI-WFASDCNBSA-N 0 0 335.404 3.303 10 5 EGBERN COC(=O)c1csc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000876741001 1298953180 /nfs/dbraw/zinc/95/31/80/1298953180.db2.gz RHJLQICSAJJIEI-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN CC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000878577805 1300089257 /nfs/dbraw/zinc/08/92/57/1300089257.db2.gz NIQSNVVJAXZUSI-UHFFFAOYSA-N 0 0 325.752 3.081 10 5 EGBERN CSc1ccc(C(=O)NCC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000869611659 1330532787 /nfs/dbraw/zinc/53/27/87/1330532787.db2.gz CZBOHKRGLFKFST-JTQLQIEISA-N 0 0 326.443 3.190 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)OC1 ZINC000881514445 1301590418 /nfs/dbraw/zinc/59/04/18/1301590418.db2.gz XWRYEAPOUYXLGU-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC2CCOCC2)C1 ZINC000881920014 1301757275 /nfs/dbraw/zinc/75/72/75/1301757275.db2.gz WXLCZFZSGPPKMY-UVTDQMKNSA-N 0 0 344.411 3.273 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@H](c2ccsc2)C1 ZINC000882085246 1301821143 /nfs/dbraw/zinc/82/11/43/1301821143.db2.gz WMTCUDUFTMHTOA-HNNXBMFYSA-N 0 0 332.381 3.437 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000882086208 1301821981 /nfs/dbraw/zinc/82/19/81/1301821981.db2.gz DJDUDWLSFWFHGE-BLLLJJGKSA-N 0 0 328.372 3.081 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000882643622 1302042911 /nfs/dbraw/zinc/04/29/11/1302042911.db2.gz UVSVLSDDYWNPSN-RFAUZJTJSA-N 0 0 328.315 3.046 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000885996712 1303312735 /nfs/dbraw/zinc/31/27/35/1303312735.db2.gz DATDQSKKEFJWFP-BMIGLBTASA-N 0 0 326.299 3.116 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@H]1C1CC1 ZINC000888487039 1304180080 /nfs/dbraw/zinc/18/00/80/1304180080.db2.gz GPVCUZQUKYDPKY-BBWFWOEESA-N 0 0 346.452 3.442 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@H]1CCCC1(F)F ZINC000893404592 1305874761 /nfs/dbraw/zinc/87/47/61/1305874761.db2.gz DRLRSJYPQWQQLL-GFCCVEGCSA-N 0 0 342.342 3.305 10 5 EGBERN O=C(NCC[C@@H]1CCCC1(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893404903 1305875254 /nfs/dbraw/zinc/87/52/54/1305875254.db2.gz HCFZFVVJGMVZOJ-QMMMGPOBSA-N 0 0 334.269 3.428 10 5 EGBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1=CCCC1 ZINC000893618594 1305989791 /nfs/dbraw/zinc/98/97/91/1305989791.db2.gz BVZDOVLZLFCEKX-UHFFFAOYSA-N 0 0 325.162 3.084 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000893667721 1306018575 /nfs/dbraw/zinc/01/85/75/1306018575.db2.gz XHFCNBXTIBJJLA-GOSISDBHSA-N 0 0 325.368 3.450 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893852756 1306098625 /nfs/dbraw/zinc/09/86/25/1306098625.db2.gz CFEMAFPIEQBHDS-ZFWWWQNUSA-N 0 0 334.416 3.194 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885949 1306113522 /nfs/dbraw/zinc/11/35/22/1306113522.db2.gz IGJINQCBWBTZNP-VIFPVBQESA-N 0 0 334.763 3.050 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885923 1306113620 /nfs/dbraw/zinc/11/36/20/1306113620.db2.gz HQIOVAYNUWQGHG-JTQLQIEISA-N 0 0 328.372 3.013 10 5 EGBERN C[C@@H](C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000894270101 1306313420 /nfs/dbraw/zinc/31/34/20/1306313420.db2.gz VDBWRHJIHNDKAO-SECBINFHSA-N 0 0 333.319 3.019 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894401034 1308856287 /nfs/dbraw/zinc/85/62/87/1308856287.db2.gz HAFBVIDEIKBDOF-CQSZACIVSA-N 0 0 332.400 3.209 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894734687 1309043384 /nfs/dbraw/zinc/04/33/84/1309043384.db2.gz RSJRTWMUELPZRP-SMDDNHRTSA-N 0 0 346.408 3.451 10 5 EGBERN CC(=O)c1cc(N[C@H](CO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000895674297 1309459479 /nfs/dbraw/zinc/45/94/79/1309459479.db2.gz FXWDGOGKTASIHB-INIZCTEOSA-N 0 0 328.368 3.203 10 5 EGBERN Cn1cc(CNc2ccc3c(c2)C=CC2(CCC2)O3)c([N+](=O)[O-])n1 ZINC000895903847 1309587812 /nfs/dbraw/zinc/58/78/12/1309587812.db2.gz YSUFAAAEDSBKLY-UHFFFAOYSA-N 0 0 326.356 3.269 10 5 EGBERN CC(=O)c1cc(N[C@H]2C[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000896696020 1309977075 /nfs/dbraw/zinc/97/70/75/1309977075.db2.gz DAJYRVPSNQWKCA-UWUNEBHHSA-N 0 0 340.379 3.302 10 5 EGBERN Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000896854135 1310053703 /nfs/dbraw/zinc/05/37/03/1310053703.db2.gz XCDOMTAMUJVAHD-CYBMUJFWSA-N 0 0 330.388 3.021 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000897544463 1310373313 /nfs/dbraw/zinc/37/33/13/1310373313.db2.gz SIAWEOIKHUEFAC-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000897563867 1310382685 /nfs/dbraw/zinc/38/26/85/1310382685.db2.gz YKFKYIKWVQUHDT-LSDHHAIUSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000898072027 1310576712 /nfs/dbraw/zinc/57/67/12/1310576712.db2.gz HFHGYILLLDFIBX-LLVKDONJSA-N 0 0 333.775 3.372 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ncccn1 ZINC000898974430 1310894942 /nfs/dbraw/zinc/89/49/42/1310894942.db2.gz PVAOAGLHZBKUOH-CJTWTEFWSA-N 0 0 338.367 3.152 10 5 EGBERN Cc1c(NC(=O)N2CCC(c3ccn(C)n3)CC2)cccc1[N+](=O)[O-] ZINC000929221085 1328540029 /nfs/dbraw/zinc/54/00/29/1328540029.db2.gz KPZUKYMNRWQHFK-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC(CC2CC2)C1 ZINC000857738302 1328593507 /nfs/dbraw/zinc/59/35/07/1328593507.db2.gz UXJIINUJMTUBSG-UHFFFAOYSA-N 0 0 329.400 3.067 10 5 EGBERN COc1cc(CCNC(=O)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000929548706 1328631313 /nfs/dbraw/zinc/63/13/13/1328631313.db2.gz KXOYZEBXDCTDTN-ZDUSSCGKSA-N 0 0 348.399 3.017 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccnn1C1CCC1 ZINC000929610252 1328646598 /nfs/dbraw/zinc/64/65/98/1328646598.db2.gz ZAFOIMONJAOZGU-UHFFFAOYSA-N 0 0 348.790 3.442 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)nc1 ZINC000858042570 1328667857 /nfs/dbraw/zinc/66/78/57/1328667857.db2.gz ZFDFRQJQXTYHMI-AWEZNQCLSA-N 0 0 331.347 3.091 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000899531952 1317075684 /nfs/dbraw/zinc/07/56/84/1317075684.db2.gz GMFXIWPUZKEPIE-GFCCVEGCSA-N 0 0 346.774 3.058 10 5 EGBERN Cc1csc(C[C@@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)n1 ZINC000899549123 1317084900 /nfs/dbraw/zinc/08/49/00/1317084900.db2.gz WARQNOMYVFJTOD-ZDUSSCGKSA-N 0 0 339.461 3.068 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C3(O)CCC3)CCC2)c1C ZINC000899679279 1317131607 /nfs/dbraw/zinc/13/16/07/1317131607.db2.gz KQFKGOPMESVVBF-UHFFFAOYSA-N 0 0 332.400 3.027 10 5 EGBERN CO[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000929810787 1328707337 /nfs/dbraw/zinc/70/73/37/1328707337.db2.gz XPRPJZNBCYILNM-KRWDZBQOSA-N 0 0 346.358 3.170 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930074035 1328778557 /nfs/dbraw/zinc/77/85/57/1328778557.db2.gz JGEGDNLIINBNHY-AAEUAGOBSA-N 0 0 346.305 3.053 10 5 EGBERN O=C(N1CC(c2ccccn2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000913369657 1319015659 /nfs/dbraw/zinc/01/56/59/1319015659.db2.gz JVMUNCAWAAVLAX-UHFFFAOYSA-N 0 0 337.379 3.038 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ocnc1C1CC1 ZINC000913385313 1319019993 /nfs/dbraw/zinc/01/99/93/1319019993.db2.gz XKPMULAMCCIMBF-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN CN(C[C@@]1(O)CCc2ccccc21)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000858596515 1328804689 /nfs/dbraw/zinc/80/46/89/1328804689.db2.gz JTJRQRSVEKUPIR-FQEVSTJZSA-N 0 0 349.390 3.413 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000858612517 1328810095 /nfs/dbraw/zinc/81/00/95/1328810095.db2.gz LRPWBHHFHLMNBQ-OAHLLOKOSA-N 0 0 325.368 3.495 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000914786103 1319378669 /nfs/dbraw/zinc/37/86/69/1319378669.db2.gz NCCPIHCNIUZYHV-VFFGBVLKSA-N 0 0 330.340 3.417 10 5 EGBERN CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858697144 1328833423 /nfs/dbraw/zinc/83/34/23/1328833423.db2.gz QTUPGUVEASXBOF-UHFFFAOYSA-N 0 0 328.368 3.389 10 5 EGBERN CC[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCN1C(=O)OC(C)(C)C ZINC000858726593 1328842073 /nfs/dbraw/zinc/84/20/73/1328842073.db2.gz LDZWQPFXCPAVDY-VHSXEESVSA-N 0 0 342.421 3.251 10 5 EGBERN CCn1c(SCc2cnc(C)o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000917249950 1319776104 /nfs/dbraw/zinc/77/61/04/1319776104.db2.gz FZQSZNRVNKCXQJ-UHFFFAOYSA-N 0 0 345.384 3.462 10 5 EGBERN Cc1nn(C[C@H]2CC[C@@H](C(F)(F)F)O2)c2ccc([N+](=O)[O-])cc12 ZINC000917332870 1319790134 /nfs/dbraw/zinc/79/01/34/1319790134.db2.gz ZXKKBYWJTHBNFT-MFKMUULPSA-N 0 0 329.278 3.363 10 5 EGBERN CC(=O)c1ccc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000917346388 1319793261 /nfs/dbraw/zinc/79/32/61/1319793261.db2.gz AMJNVKYMRGOMGX-GWCFXTLKSA-N 0 0 333.262 3.286 10 5 EGBERN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000858779797 1328858178 /nfs/dbraw/zinc/85/81/78/1328858178.db2.gz XOUWRRAQOCMIGX-NWDGAFQWSA-N 0 0 336.392 3.190 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)COC1CCCCC1 ZINC000918538987 1319972488 /nfs/dbraw/zinc/97/24/88/1319972488.db2.gz RWKHCHHVYQRJTC-UHFFFAOYSA-N 0 0 337.372 3.386 10 5 EGBERN O=C(OCc1ccc(Cl)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000859104164 1328924245 /nfs/dbraw/zinc/92/42/45/1328924245.db2.gz KWJAUJGZZTVUPD-UHFFFAOYSA-N 0 0 347.758 3.338 10 5 EGBERN Cc1cc(NC(=O)N2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000930732691 1328953175 /nfs/dbraw/zinc/95/31/75/1328953175.db2.gz RSYPLBBMTDJWFB-LLVKDONJSA-N 0 0 349.334 3.415 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000930769335 1328964864 /nfs/dbraw/zinc/96/48/64/1328964864.db2.gz OMCWGOCKBFLGCA-ONGXEEELSA-N 0 0 325.390 3.009 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859450374 1328989947 /nfs/dbraw/zinc/98/99/47/1328989947.db2.gz PGBKSGAIWZNAQX-RKDXNWHRSA-N 0 0 349.261 3.282 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(O)(C2CCC2)CC1 ZINC000930861390 1328990153 /nfs/dbraw/zinc/99/01/53/1328990153.db2.gz DDCOOXXANQICEJ-UHFFFAOYSA-N 0 0 347.415 3.371 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000930886020 1328995955 /nfs/dbraw/zinc/99/59/55/1328995955.db2.gz YFHVTUXNIIILLL-VHSXEESVSA-N 0 0 325.390 3.009 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCOCCc1ccccc1 ZINC000919012895 1322020526 /nfs/dbraw/zinc/02/05/26/1322020526.db2.gz MOZFROLFDQJSOV-UHFFFAOYSA-N 0 0 344.367 3.104 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)c1ccccc1)C(C)C ZINC000919012378 1322020674 /nfs/dbraw/zinc/02/06/74/1322020674.db2.gz CQTANOYKZZDYSR-KRWDZBQOSA-N 0 0 342.351 3.363 10 5 EGBERN O=C(NCC1(O)CCCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859497282 1329000884 /nfs/dbraw/zinc/00/08/84/1329000884.db2.gz BFWPENRMRFYXFY-UHFFFAOYSA-N 0 0 328.368 3.173 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCCCOc1ccccc1Cl ZINC000920151105 1322144992 /nfs/dbraw/zinc/14/49/92/1322144992.db2.gz DETLNRJRSVUPRG-UHFFFAOYSA-N 0 0 338.747 3.213 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCSC2(CCC2)C1 ZINC000920598169 1322196626 /nfs/dbraw/zinc/19/66/26/1322196626.db2.gz DOEMQDKSHPKWCN-AWEZNQCLSA-N 0 0 349.456 3.255 10 5 EGBERN CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000920626740 1322199629 /nfs/dbraw/zinc/19/96/29/1322199629.db2.gz VIHOXDKMFIPGDU-SNVBAGLBSA-N 0 0 344.323 3.177 10 5 EGBERN C[NH+](C)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000920959715 1322238829 /nfs/dbraw/zinc/23/88/29/1322238829.db2.gz HQHSJNCTIMKLKN-LYASGUKUSA-N 0 0 345.355 3.000 10 5 EGBERN C[C@H]1c2sccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000921506250 1322332770 /nfs/dbraw/zinc/33/27/70/1322332770.db2.gz LWDROKPTAQQYMT-NSHDSACASA-N 0 0 331.397 3.214 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000921681145 1322376927 /nfs/dbraw/zinc/37/69/27/1322376927.db2.gz RBWDJTQUDTVFEI-VHRNVKJDSA-N 0 0 349.456 3.111 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cnc1C ZINC000921883958 1322417908 /nfs/dbraw/zinc/41/79/08/1322417908.db2.gz ZWHDJWGINLBIFR-UHFFFAOYSA-N 0 0 340.383 3.459 10 5 EGBERN Cc1cccc(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922142230 1322464761 /nfs/dbraw/zinc/46/47/61/1322464761.db2.gz YJXBEMKOSKWLOY-ONGXEEELSA-N 0 0 333.262 3.170 10 5 EGBERN CCc1onc(C)c1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000922401421 1322519749 /nfs/dbraw/zinc/51/97/49/1322519749.db2.gz LEANGBNWOMPVHZ-UHFFFAOYSA-N 0 0 326.255 3.089 10 5 EGBERN C[C@H](C(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000922653512 1322581313 /nfs/dbraw/zinc/58/13/13/1322581313.db2.gz SOVCOFDAAVEOAN-BIMULSAOSA-N 0 0 347.289 3.351 10 5 EGBERN CCO[C@@H](COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000859618083 1329036097 /nfs/dbraw/zinc/03/60/97/1329036097.db2.gz KIJZRZSDVMJVOF-HNNXBMFYSA-N 0 0 330.340 3.115 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2(C3CC3)CCC2)c1 ZINC000923338007 1322736353 /nfs/dbraw/zinc/73/63/53/1322736353.db2.gz UBFHKXSTRRZZIL-UHFFFAOYSA-N 0 0 333.340 3.005 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000923420541 1322748437 /nfs/dbraw/zinc/74/84/37/1322748437.db2.gz OQEGCANURUBRGJ-CYBMUJFWSA-N 0 0 349.383 3.386 10 5 EGBERN Cc1ccc(N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C2CCC2)cc1 ZINC000923644143 1322786478 /nfs/dbraw/zinc/78/64/78/1322786478.db2.gz BDKCGWPRWDUMQY-UHFFFAOYSA-N 0 0 327.340 3.203 10 5 EGBERN COc1cc(COC(=O)c2cc(C)c(C)cn2)c([N+](=O)[O-])cc1F ZINC000923786108 1322809195 /nfs/dbraw/zinc/80/91/95/1322809195.db2.gz SFFJHIQCBXIQBK-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN CC(C)OCCCc1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000923912944 1322845305 /nfs/dbraw/zinc/84/53/05/1322845305.db2.gz QFJIEYYAIYFPAH-UHFFFAOYSA-N 0 0 337.351 3.260 10 5 EGBERN Cc1c(Cc2noc([C@@]34CCO[C@@H]3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000923951502 1322854306 /nfs/dbraw/zinc/85/43/06/1322854306.db2.gz XVBZUTSDZZBAHV-QAPCUYQASA-N 0 0 343.383 3.478 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccccc1 ZINC000923960232 1322856063 /nfs/dbraw/zinc/85/60/63/1322856063.db2.gz RAHTYYXNCAOFDA-PXAZEXFGSA-N 0 0 325.368 3.400 10 5 EGBERN COc1cc(C)nc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000923963123 1322857773 /nfs/dbraw/zinc/85/77/73/1322857773.db2.gz MXEKJJHEKDGZQV-UHFFFAOYSA-N 0 0 348.330 3.122 10 5 EGBERN C[C@@H](OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC000923967661 1322859483 /nfs/dbraw/zinc/85/94/83/1322859483.db2.gz PXLRTVUVUYDOGJ-SNVBAGLBSA-N 0 0 335.747 3.275 10 5 EGBERN Cc1c(-c2noc(C[C@@H]3CC[C@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000924092968 1322898367 /nfs/dbraw/zinc/89/83/67/1322898367.db2.gz LEHMHMNDOHIIQJ-SWLSCSKDSA-N 0 0 329.356 3.453 10 5 EGBERN O=C(C[C@H]1CCCC1(F)F)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000924332012 1322985862 /nfs/dbraw/zinc/98/58/62/1322985862.db2.gz PYNOJOMRDXHKRU-LLVKDONJSA-N 0 0 327.283 3.146 10 5 EGBERN O=C(C[C@H]1CCCC1(F)F)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000924334773 1322987454 /nfs/dbraw/zinc/98/74/54/1322987454.db2.gz FSTRRLMXZPGHGU-SECBINFHSA-N 0 0 345.273 3.285 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000924338912 1322987968 /nfs/dbraw/zinc/98/79/68/1322987968.db2.gz MGIMYTRZHQHQTN-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN CC(C)(C)OC(=O)N1CC=CCN1Cc1csc([N+](=O)[O-])c1 ZINC000931155485 1329062859 /nfs/dbraw/zinc/06/28/59/1329062859.db2.gz PIEHSXQTCQQSKI-UHFFFAOYSA-N 0 0 325.390 3.180 10 5 EGBERN O=C(COC(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859733389 1329066295 /nfs/dbraw/zinc/06/62/95/1329066295.db2.gz NUNVCIGSZHMLOT-KGLIPLIRSA-N 0 0 335.331 3.286 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000859908569 1329110029 /nfs/dbraw/zinc/11/00/29/1329110029.db2.gz NCBYGIIWYHBVFO-OBJOEFQTSA-N 0 0 341.205 3.336 10 5 EGBERN C[C@@H](CNC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000931437576 1329117674 /nfs/dbraw/zinc/11/76/74/1329117674.db2.gz SVHHAYPTFZQBOH-ZANVPECISA-N 0 0 345.321 3.338 10 5 EGBERN CN(CCOCC1CC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859992714 1329123517 /nfs/dbraw/zinc/12/35/17/1329123517.db2.gz DABFYMZVKGVVMD-UHFFFAOYSA-N 0 0 328.368 3.247 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000931495343 1329130555 /nfs/dbraw/zinc/13/05/55/1329130555.db2.gz JEQIRGLZACMFNP-PBHICJAKSA-N 0 0 347.415 3.484 10 5 EGBERN CN(Cc1c(Br)cccc1[N+](=O)[O-])OCC(F)(F)F ZINC000931532450 1329136584 /nfs/dbraw/zinc/13/65/84/1329136584.db2.gz GKMASJWFDOTKOJ-UHFFFAOYSA-N 0 0 343.099 3.283 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C(C)(C)O1 ZINC000860072345 1329140855 /nfs/dbraw/zinc/14/08/55/1329140855.db2.gz YUSFYCKDGGCDJK-LLVKDONJSA-N 0 0 348.355 3.373 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CCOCC1 ZINC000860102301 1329146685 /nfs/dbraw/zinc/14/66/85/1329146685.db2.gz CMALTFVHZZATQW-LBPRGKRZSA-N 0 0 328.368 3.293 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000860117075 1329150638 /nfs/dbraw/zinc/15/06/38/1329150638.db2.gz FOSOXMDAZIDUQN-CABZTGNLSA-N 0 0 348.580 3.465 10 5 EGBERN CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860167927 1329164774 /nfs/dbraw/zinc/16/47/74/1329164774.db2.gz POHHUXCXNLLDOE-OCCSQVGLSA-N 0 0 330.384 3.275 10 5 EGBERN Cc1noc(COC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000860275190 1329185656 /nfs/dbraw/zinc/18/56/56/1329185656.db2.gz AXPSOZHUKKUYEN-KWCYVHTRSA-N 0 0 348.742 3.174 10 5 EGBERN C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000926007230 1325386809 /nfs/dbraw/zinc/38/68/09/1325386809.db2.gz LUWODOYPDFVKKP-JOCHJYFZSA-N 0 0 328.365 3.305 10 5 EGBERN CCOc1cc(COC(=O)[C@@H](OCC)C(C)C)ccc1[N+](=O)[O-] ZINC000860367072 1329309560 /nfs/dbraw/zinc/30/95/60/1329309560.db2.gz LOSAJOGAHHYPSP-HNNXBMFYSA-N 0 0 325.361 3.098 10 5 EGBERN CCO[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000860369946 1329310289 /nfs/dbraw/zinc/31/02/89/1329310289.db2.gz YRBPOOSYWHXTHB-HNNXBMFYSA-N 0 0 348.355 3.354 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CCCO1 ZINC000860420235 1329314963 /nfs/dbraw/zinc/31/49/63/1329314963.db2.gz KOLQFLJIGHSVQD-IAGOWNOFSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCOCC2(CC2)C1 ZINC000860723693 1329348442 /nfs/dbraw/zinc/34/84/42/1329348442.db2.gz BMEVXODZUGHASE-UHFFFAOYSA-N 0 0 326.352 3.001 10 5 EGBERN COCC1=CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860948971 1329372029 /nfs/dbraw/zinc/37/20/29/1329372029.db2.gz PQGUZIRONIWWTK-UHFFFAOYSA-N 0 0 326.352 3.167 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927280456 1327951492 /nfs/dbraw/zinc/95/14/92/1327951492.db2.gz BPDXDQUGCRLLPN-ZDUSSCGKSA-N 0 0 346.280 3.030 10 5 EGBERN Cc1c(NC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927427866 1328021862 /nfs/dbraw/zinc/02/18/62/1328021862.db2.gz CCGQZWWIAKSFJV-XJKSGUPXSA-N 0 0 333.388 3.230 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@@H]1C ZINC000861198400 1329396405 /nfs/dbraw/zinc/39/64/05/1329396405.db2.gz DCTRBPKOEVGZMT-SJCJKPOMSA-N 0 0 328.368 3.245 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928239155 1328249061 /nfs/dbraw/zinc/24/90/61/1328249061.db2.gz PEMFSNXTVYOXHF-CYBMUJFWSA-N 0 0 345.399 3.496 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000928241562 1328251615 /nfs/dbraw/zinc/25/16/15/1328251615.db2.gz GBPJLOZMTIHRKU-KXKDPZRNSA-N 0 0 332.400 3.414 10 5 EGBERN Cc1cc(CO)cc(C)c1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000928466441 1328329334 /nfs/dbraw/zinc/32/93/34/1328329334.db2.gz VRUWPANSDFFSNO-UHFFFAOYSA-N 0 0 346.358 3.081 10 5 EGBERN CC[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928687848 1328395224 /nfs/dbraw/zinc/39/52/24/1328395224.db2.gz OFWFRLBSRYMVEJ-GFCCVEGCSA-N 0 0 336.388 3.001 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000861445675 1329418747 /nfs/dbraw/zinc/41/87/47/1329418747.db2.gz MOQUJCFYWRKLGU-NDBYEHHHSA-N 0 0 345.273 3.309 10 5 EGBERN Cc1[nH]nc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1C ZINC000861445145 1329418905 /nfs/dbraw/zinc/41/89/05/1329418905.db2.gz WOVYKAUKGFCOPK-GFCCVEGCSA-N 0 0 343.261 3.395 10 5 EGBERN CC(C)(/C=C/Cl)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928939235 1328478402 /nfs/dbraw/zinc/47/84/02/1328478402.db2.gz XUSUAIJNYDMJGN-BQYQJAHWSA-N 0 0 337.807 3.456 10 5 EGBERN C[C@@H](CN1C(=O)N[C@H](CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929003068 1328487343 /nfs/dbraw/zinc/48/73/43/1328487343.db2.gz QPDUUSBEVVIREM-WCQYABFASA-N 0 0 333.388 3.055 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(F)(C2CC2)CC1 ZINC000929091861 1328502574 /nfs/dbraw/zinc/50/25/74/1328502574.db2.gz OZUDDKBHVFNQTC-UHFFFAOYSA-N 0 0 337.351 3.349 10 5 EGBERN CC[C@H](C)N(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861524085 1329424043 /nfs/dbraw/zinc/42/40/43/1329424043.db2.gz QXWNAPQNUJNFAV-LBPRGKRZSA-N 0 0 344.367 3.162 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]1CCO ZINC000862179271 1329464237 /nfs/dbraw/zinc/46/42/37/1329464237.db2.gz XODARBIARACJFO-SCLBCKFNSA-N 0 0 342.395 3.371 10 5 EGBERN CC(C)(CCC(=O)NC(C)(C)c1nc2ccccc2s1)[N+](=O)[O-] ZINC000862585462 1329497945 /nfs/dbraw/zinc/49/79/45/1329497945.db2.gz JOINUTWUWALONG-UHFFFAOYSA-N 0 0 335.429 3.483 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1F ZINC000862726247 1329505527 /nfs/dbraw/zinc/50/55/27/1329505527.db2.gz LMAZQPJLTUWZNL-ZJUUUORDSA-N 0 0 342.367 3.292 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000862865003 1329516196 /nfs/dbraw/zinc/51/61/96/1329516196.db2.gz IFYBGYUCVIPRRR-UKTHLTGXSA-N 0 0 326.352 3.292 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccns1 ZINC000863612677 1329567419 /nfs/dbraw/zinc/56/74/19/1329567419.db2.gz MUPKSIFYLPIQDM-WCQYABFASA-N 0 0 333.413 3.497 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863813491 1329583476 /nfs/dbraw/zinc/58/34/76/1329583476.db2.gz IYUCSTDKGVYBJA-PYLYLYNFSA-N 0 0 342.399 3.149 10 5 EGBERN CCN(CC(C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864813760 1329644304 /nfs/dbraw/zinc/64/43/04/1329644304.db2.gz ZLRHYYSGODKBEC-UHFFFAOYSA-N 0 0 343.221 3.404 10 5 EGBERN CC1(C)CC[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)OC1 ZINC000865353655 1329688562 /nfs/dbraw/zinc/68/85/62/1329688562.db2.gz JANDUGITVMAWRY-OAHLLOKOSA-N 0 0 343.383 3.024 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]1O ZINC000866000436 1329758122 /nfs/dbraw/zinc/75/81/22/1329758122.db2.gz ZUDMHZOKIINOAP-VUCTXSBTSA-N 0 0 327.384 3.129 10 5 EGBERN CC1(c2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)cc2)OCCO1 ZINC000866007706 1329758662 /nfs/dbraw/zinc/75/86/62/1329758662.db2.gz RXPGSIDAJHNGPA-UHFFFAOYSA-N 0 0 347.346 3.148 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000866051807 1330059680 /nfs/dbraw/zinc/05/96/80/1330059680.db2.gz IHUFHCBYRRWTRG-IAGOWNOFSA-N 0 0 338.367 3.174 10 5 EGBERN Nc1c(F)c(N2CCC[C@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051439 1330059782 /nfs/dbraw/zinc/05/97/82/1330059782.db2.gz FCCOIWXQWKHNLR-WMLDXEAASA-N 0 0 331.347 3.019 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H]2[C@@H](O)c2ccccc2)nc2sccn21 ZINC000866053175 1330059914 /nfs/dbraw/zinc/05/99/14/1330059914.db2.gz OUTFYUIARHJMSW-OLZOCXBDSA-N 0 0 344.396 3.006 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000866079444 1330063269 /nfs/dbraw/zinc/06/32/69/1330063269.db2.gz RBZQNRYRMXJHQJ-QMCDRNHQSA-N 0 0 332.425 3.461 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CC2(CO1)CCOCC2 ZINC000866175267 1330073594 /nfs/dbraw/zinc/07/35/94/1330073594.db2.gz JPNCUCXHTAUMAJ-CQSZACIVSA-N 0 0 343.383 3.141 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC4(CO3)CCOCC4)sc2c1 ZINC000866176640 1330073915 /nfs/dbraw/zinc/07/39/15/1330073915.db2.gz HZCNXCRUBLHTFN-LBPRGKRZSA-N 0 0 349.412 3.202 10 5 EGBERN Cn1cc(C(F)F)c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000866193472 1330076250 /nfs/dbraw/zinc/07/62/50/1330076250.db2.gz MNCQVRHRAIIYOV-UHFFFAOYSA-N 0 0 348.256 3.479 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nc(C4CCC4)no3)CC2)cn1 ZINC000866199093 1330077330 /nfs/dbraw/zinc/07/73/30/1330077330.db2.gz IDUWGPBCGFAWOF-UHFFFAOYSA-N 0 0 329.360 3.024 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000866274207 1330089142 /nfs/dbraw/zinc/08/91/42/1330089142.db2.gz XRIFEDGPNQKGCH-FMXQPZMBSA-N 0 0 346.383 3.008 10 5 EGBERN C[C@@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000866337585 1330098570 /nfs/dbraw/zinc/09/85/70/1330098570.db2.gz KTJGTMVBPZIIEC-ZJUUUORDSA-N 0 0 341.205 3.157 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866567780 1330127882 /nfs/dbraw/zinc/12/78/82/1330127882.db2.gz OCSZMKGWLJASHZ-SECBINFHSA-N 0 0 340.330 3.125 10 5 EGBERN CN(CCC1CC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866857474 1330153169 /nfs/dbraw/zinc/15/31/69/1330153169.db2.gz IQCBRTOYJZNHBB-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN C[C@@]1(c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)CCCO1 ZINC000866959065 1330160881 /nfs/dbraw/zinc/16/08/81/1330160881.db2.gz ZMPZNJYAKUIVFG-INIZCTEOSA-N 0 0 329.356 3.473 10 5 EGBERN CC(C)(CCc1noc(Cc2ccc3cnccc3c2)n1)[N+](=O)[O-] ZINC000867016800 1330165969 /nfs/dbraw/zinc/16/59/69/1330165969.db2.gz VGTRGCNQRQKEAD-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN Cc1c(CNC(=O)c2conc2C2CCCC2)cccc1[N+](=O)[O-] ZINC000867733015 1330217662 /nfs/dbraw/zinc/21/76/62/1330217662.db2.gz GVLIVBQKMSVSBG-UHFFFAOYSA-N 0 0 329.356 3.479 10 5 EGBERN COCc1ccccc1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868030631 1330242429 /nfs/dbraw/zinc/24/24/29/1330242429.db2.gz QZGLQEQSFDKBFV-UHFFFAOYSA-N 0 0 343.383 3.049 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)C(C)(F)F ZINC000868077453 1330246677 /nfs/dbraw/zinc/24/66/77/1330246677.db2.gz BSZUNBMJWVYUCF-UHFFFAOYSA-N 0 0 345.346 3.084 10 5 EGBERN CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868501497 1330287075 /nfs/dbraw/zinc/28/70/75/1330287075.db2.gz KXDDRSKYLBMCKS-LLVKDONJSA-N 0 0 333.310 3.433 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000868618229 1330300704 /nfs/dbraw/zinc/30/07/04/1330300704.db2.gz VTSDPUYVEAFAJZ-GFCCVEGCSA-N 0 0 331.294 3.043 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC2(CSC2)C1 ZINC000868719389 1330323578 /nfs/dbraw/zinc/32/35/78/1330323578.db2.gz XNRGWQZFGSFRHZ-UHFFFAOYSA-N 0 0 335.429 3.497 10 5 EGBERN CNc1c(C(=O)N2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000869050470 1330402133 /nfs/dbraw/zinc/40/21/33/1330402133.db2.gz ILJJUXWNTIDICX-CQSZACIVSA-N 0 0 340.383 3.051 10 5 EGBERN CCOc1ccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000869052560 1330403138 /nfs/dbraw/zinc/40/31/38/1330403138.db2.gz BHAQIQPKULCLRP-UHFFFAOYSA-N 0 0 343.383 3.301 10 5 EGBERN O=C(Cc1cnn2c1CCCC2)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000869590386 1330529103 /nfs/dbraw/zinc/52/91/03/1330529103.db2.gz KCXFDKZPZXQSFG-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@@H]1CCSC1 ZINC000869604553 1330531656 /nfs/dbraw/zinc/53/16/56/1330531656.db2.gz DIISQZZDTSKDAY-SNVBAGLBSA-N 0 0 328.821 3.050 10 5 EGBERN C[C@H](OC(=O)[C@]12C[C@H]1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000869709319 1330549377 /nfs/dbraw/zinc/54/93/77/1330549377.db2.gz XIDCEUOIOHPZPE-XWCIJXRUSA-N 0 0 332.356 3.045 10 5 EGBERN C/C(=C/C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1ccc([N+](=O)[O-])cc1 ZINC000869824838 1330571396 /nfs/dbraw/zinc/57/13/96/1330571396.db2.gz ALYAACOBIYCTRM-PDSROIELSA-N 0 0 344.411 3.006 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1c(Cl)n[nH]c1C1CC1 ZINC000869901387 1330586488 /nfs/dbraw/zinc/58/64/88/1330586488.db2.gz RRXPSHUSEQOTGW-UHFFFAOYSA-N 0 0 339.710 3.345 10 5 EGBERN COC(=O)Cc1ccc(N(C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC001184681365 1387507620 /nfs/dbraw/zinc/50/76/20/1387507620.db2.gz NFYLYMYHVQICHU-UHFFFAOYSA-N 0 0 328.368 3.255 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)CO2)c1 ZINC001324774130 1387767732 /nfs/dbraw/zinc/76/77/32/1387767732.db2.gz HITITNKMJWFBEW-WBVHZDCISA-N 0 0 348.443 3.427 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cccc(-n3ccnn3)c2)c2ccccc21 ZINC001185766188 1387793405 /nfs/dbraw/zinc/79/34/05/1387793405.db2.gz HUVDPKMKEDDRHL-UHFFFAOYSA-N 0 0 332.323 3.467 10 5 EGBERN O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC001185948523 1387833535 /nfs/dbraw/zinc/83/35/35/1387833535.db2.gz IKUIHKSDDWUMBW-UHFFFAOYSA-N 0 0 340.698 3.345 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nnn(Cc2cccc(C(F)F)c2)n1 ZINC001190220064 1367203243 /nfs/dbraw/zinc/20/32/43/1367203243.db2.gz LNFHIRFNGYVTMK-UHFFFAOYSA-N 0 0 331.282 3.234 10 5 EGBERN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001195113667 1368381379 /nfs/dbraw/zinc/38/13/79/1368381379.db2.gz OKQVXEQPYYZJLL-HNNXBMFYSA-N 0 0 341.411 3.007 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@]2(O)CCC[C@@H]2C)cc1C ZINC001186571389 1387971439 /nfs/dbraw/zinc/97/14/39/1387971439.db2.gz JEBCDDZLUNGLOU-SJCJKPOMSA-N 0 0 336.388 3.043 10 5 EGBERN CC(C)[C@H]1N(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1(C)C ZINC001186593828 1387978045 /nfs/dbraw/zinc/97/80/45/1387978045.db2.gz MKCXALHRKMUUBX-MRXNPFEDSA-N 0 0 329.400 3.318 10 5 EGBERN Cc1cnc(CCNc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC001186647691 1387993347 /nfs/dbraw/zinc/99/33/47/1387993347.db2.gz JACJHBZMXHQNAC-UHFFFAOYSA-N 0 0 337.177 3.110 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC001186689430 1387998165 /nfs/dbraw/zinc/99/81/65/1387998165.db2.gz VDPFMMOYPICGKH-RCOIXESOSA-N 0 0 328.324 3.342 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cccc(Br)c2Cl)nc1 ZINC001186712887 1387999931 /nfs/dbraw/zinc/99/99/31/1387999931.db2.gz IAYVKUVKQKKVEJ-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN Cc1c(Br)cccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001186844057 1388013576 /nfs/dbraw/zinc/01/35/76/1388013576.db2.gz IIZKLYWDJWVKHH-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])COc2ccccc2O1 ZINC001187139965 1388057510 /nfs/dbraw/zinc/05/75/10/1388057510.db2.gz HHIRSLCKUAGXBR-INIZCTEOSA-N 0 0 345.311 3.145 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1F ZINC001187305343 1388091693 /nfs/dbraw/zinc/09/16/93/1388091693.db2.gz AXDSMTRJWOKDOE-BMFZPTHFSA-N 0 0 342.370 3.466 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc([C@H]3CCCO3)o2)ccc1N1CCCC1 ZINC001118142415 1371137398 /nfs/dbraw/zinc/13/73/98/1371137398.db2.gz OACWGTKACJXVFF-CQSZACIVSA-N 0 0 330.344 3.097 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001118793006 1371229390 /nfs/dbraw/zinc/22/93/90/1371229390.db2.gz JJJJFFSAERDPRZ-OAHLLOKOSA-N 0 0 340.383 3.310 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cnc(C2CC2)s1 ZINC001119653712 1371382879 /nfs/dbraw/zinc/38/28/79/1371382879.db2.gz KSYYZPKHSZSZQP-UHFFFAOYSA-N 0 0 339.323 3.137 10 5 EGBERN C=Cc1ccccc1NC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001208368748 1371739325 /nfs/dbraw/zinc/73/93/25/1371739325.db2.gz MXCYXYSBGOZREK-SFHVURJKSA-N 0 0 341.367 3.267 10 5 EGBERN C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](C)CCO1 ZINC001120989750 1371828704 /nfs/dbraw/zinc/82/87/04/1371828704.db2.gz CIOQQZCEGMJLRT-NXEZZACHSA-N 0 0 336.779 3.195 10 5 EGBERN CO[C@@]12CCC[C@@]1(COC(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC001123228740 1372402147 /nfs/dbraw/zinc/40/21/47/1372402147.db2.gz CROOJCJEKZEJKK-ZWKOTPCHSA-N 0 0 349.383 3.004 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)/C(C)=C/c1ccc(Br)o1 ZINC001123256859 1372408523 /nfs/dbraw/zinc/40/85/23/1372408523.db2.gz QOACEVKXPGEBOR-ORZBULNSSA-N 0 0 332.150 3.044 10 5 EGBERN O=C(Nc1ccccc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001124319872 1372691111 /nfs/dbraw/zinc/69/11/11/1372691111.db2.gz UDWHPXALERDLEL-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1OCc2ccccc21 ZINC001124338498 1372693144 /nfs/dbraw/zinc/69/31/44/1372693144.db2.gz DYZDBRYVAAQUJO-INIZCTEOSA-N 0 0 328.324 3.204 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001124715566 1372724090 /nfs/dbraw/zinc/72/40/90/1372724090.db2.gz LOUBUAOFMGCJEN-UHFFFAOYSA-N 0 0 344.307 3.046 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC001125876972 1372879358 /nfs/dbraw/zinc/87/93/58/1372879358.db2.gz ZKGZZSIPXKGUSX-IRXDYDNUSA-N 0 0 332.400 3.306 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001126148698 1372943272 /nfs/dbraw/zinc/94/32/72/1372943272.db2.gz VHPYQHHAHYNDIE-CVEARBPZSA-N 0 0 349.350 3.122 10 5 EGBERN COC(=O)c1cc(NC(=O)/C=C(\C)c2cccs2)cc([N+](=O)[O-])c1 ZINC001126300837 1372955033 /nfs/dbraw/zinc/95/50/33/1372955033.db2.gz VFVOZQQRMHHZHU-UXBLZVDNSA-N 0 0 346.364 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2ccsc2)c1 ZINC001126342036 1372958592 /nfs/dbraw/zinc/95/85/92/1372958592.db2.gz XERLZZCTJYMYDN-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN O=C(c1ccc(F)c2ccncc12)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126358738 1372960224 /nfs/dbraw/zinc/96/02/24/1372960224.db2.gz FOFYYLBCRQZYGD-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2OC[C@H]1C ZINC001126563508 1372974880 /nfs/dbraw/zinc/97/48/80/1372974880.db2.gz XZOUVNBIENFDQP-LLVKDONJSA-N 0 0 330.315 3.470 10 5 EGBERN Nc1c(C(=O)NCCC(F)(F)F)cc2ccccc2c1[N+](=O)[O-] ZINC001126572549 1372975948 /nfs/dbraw/zinc/97/59/48/1372975948.db2.gz QTHQQSSVZDQQGS-UHFFFAOYSA-N 0 0 327.262 3.012 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)n1 ZINC001126581679 1372977825 /nfs/dbraw/zinc/97/78/25/1372977825.db2.gz RVSAFQYPRJOJRW-LBPRGKRZSA-N 0 0 340.383 3.031 10 5 EGBERN CSc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001126623069 1372985702 /nfs/dbraw/zinc/98/57/02/1372985702.db2.gz AOSAFOFHWHMHRE-UHFFFAOYSA-N 0 0 345.424 3.464 10 5 EGBERN Cc1cnccc1/C=C/C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001126919194 1373051608 /nfs/dbraw/zinc/05/16/08/1373051608.db2.gz OQNFAVZPBNCTAG-RUDMXATFSA-N 0 0 325.368 3.363 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2ccncc21 ZINC001126962770 1373058048 /nfs/dbraw/zinc/05/80/48/1373058048.db2.gz NUOPVTDABMPXPE-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1F ZINC001126967707 1373060385 /nfs/dbraw/zinc/06/03/85/1373060385.db2.gz SNZCAMQNENESKL-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)C(F)(F)F ZINC001127076854 1373081675 /nfs/dbraw/zinc/08/16/75/1373081675.db2.gz FFHUQUHFRBRTRG-ZDUSSCGKSA-N 0 0 343.261 3.028 10 5 EGBERN Cc1nnc(CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C(C)(C)C)o1 ZINC001127090566 1373083975 /nfs/dbraw/zinc/08/39/75/1373083975.db2.gz IKKANZOOJBJCPV-NSHDSACASA-N 0 0 346.387 3.217 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)cc1[N+](=O)[O-] ZINC001127361831 1373119566 /nfs/dbraw/zinc/11/95/66/1373119566.db2.gz ZXYUGAYFOJZNBD-JKSUJKDBSA-N 0 0 349.431 3.350 10 5 EGBERN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)C(C)(C)C ZINC001326572498 1388244328 /nfs/dbraw/zinc/24/43/28/1388244328.db2.gz GKCFZAVOBKOMKV-SSDOTTSWSA-N 0 0 344.209 3.104 10 5 EGBERN CCC1(CC)[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)[C@H]1OC ZINC001127567856 1373140263 /nfs/dbraw/zinc/14/02/63/1373140263.db2.gz QVRWVJWTAQGOEH-APHBMKBZSA-N 0 0 334.416 3.473 10 5 EGBERN CCc1cc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC001127657146 1373154758 /nfs/dbraw/zinc/15/47/58/1373154758.db2.gz RSHBXTZTXYVOHX-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127667610 1373156617 /nfs/dbraw/zinc/15/66/17/1373156617.db2.gz VKRCNCXANQJJHS-JUDXGUMMSA-N 0 0 339.395 3.358 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127667609 1373156679 /nfs/dbraw/zinc/15/66/79/1373156679.db2.gz VKRCNCXANQJJHS-CJYSPXJISA-N 0 0 339.395 3.358 10 5 EGBERN CC[C@H](OC(=O)c1cc(C)nc(NC)n1)c1cccc([N+](=O)[O-])c1 ZINC001127710528 1373165892 /nfs/dbraw/zinc/16/58/92/1373165892.db2.gz MRNZNYSPIATZQQ-AWEZNQCLSA-N 0 0 330.344 3.043 10 5 EGBERN COc1ccccc1[C@H](C)OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001127714861 1373166970 /nfs/dbraw/zinc/16/69/70/1373166970.db2.gz YGZVAATUWYZELE-LBPRGKRZSA-N 0 0 345.351 3.459 10 5 EGBERN Cc1c(CNC(=O)[C@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC001128003988 1373207847 /nfs/dbraw/zinc/20/78/47/1373207847.db2.gz DBQBRTVOHBMMEV-AWEZNQCLSA-N 0 0 344.342 3.225 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001128322417 1373251667 /nfs/dbraw/zinc/25/16/67/1373251667.db2.gz YTNOLOLNFUEIJB-VQHVLOKHSA-N 0 0 340.314 3.273 10 5 EGBERN Cc1cc(Cl)nc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001128384274 1373260326 /nfs/dbraw/zinc/26/03/26/1373260326.db2.gz OQHLEVKHVXROMH-UHFFFAOYSA-N 0 0 337.738 3.329 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001128985066 1373331137 /nfs/dbraw/zinc/33/11/37/1373331137.db2.gz MSFQUALXNSRSLA-JXMROGBWSA-N 0 0 328.372 3.278 10 5 EGBERN COCCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001129032057 1373337965 /nfs/dbraw/zinc/33/79/65/1373337965.db2.gz CUXHAUHXASSZDL-UHFFFAOYSA-N 0 0 346.408 3.367 10 5 EGBERN CC(C)(NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1F ZINC001129286783 1373368772 /nfs/dbraw/zinc/36/87/72/1373368772.db2.gz PHBLTJCRINJSIB-UHFFFAOYSA-N 0 0 346.314 3.128 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cccc(Cl)c3C2)c1 ZINC001129588509 1373400361 /nfs/dbraw/zinc/40/03/61/1373400361.db2.gz JFVXMLWAYODLQR-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN C[C@@H]1C[C@H]1N(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001129642342 1373406759 /nfs/dbraw/zinc/40/67/59/1373406759.db2.gz BJPKIVXFIIJOJJ-CXAGYDPISA-N 0 0 326.352 3.415 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)s1 ZINC001129718023 1373416305 /nfs/dbraw/zinc/41/63/05/1373416305.db2.gz ZTEWETJTZOLCGU-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC1(C)C ZINC001130045075 1373448368 /nfs/dbraw/zinc/44/83/68/1373448368.db2.gz JAWZFQVKOVOFMV-HOTGVXAUSA-N 0 0 342.399 3.335 10 5 EGBERN CCOc1cncc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001130084251 1373453913 /nfs/dbraw/zinc/45/39/13/1373453913.db2.gz CFZGWLLEKAFKLD-UHFFFAOYSA-N 0 0 344.371 3.333 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nsc2ccccc21 ZINC001130344460 1373498269 /nfs/dbraw/zinc/49/82/69/1373498269.db2.gz DBRMSWPORCHIIZ-UHFFFAOYSA-N 0 0 329.337 3.222 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)n1 ZINC001130758929 1373588341 /nfs/dbraw/zinc/58/83/41/1373588341.db2.gz SZCAJBNCPKRDOK-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=C(Cc1ccc(Cl)cn1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959879 1373616597 /nfs/dbraw/zinc/61/65/97/1373616597.db2.gz MRCOEGDLSZOAEH-UHFFFAOYSA-N 0 0 342.742 3.373 10 5 EGBERN C[C@@H](COc1c(F)cccc1F)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001131015989 1373625047 /nfs/dbraw/zinc/62/50/47/1373625047.db2.gz OACMURYIUYNHCZ-QMMMGPOBSA-N 0 0 342.323 3.132 10 5 EGBERN COc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC001131051776 1373633317 /nfs/dbraw/zinc/63/33/17/1373633317.db2.gz NZAGRHOMJVQOSR-UHFFFAOYSA-N 0 0 332.268 3.039 10 5 EGBERN Cn1ncc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1Cl ZINC001131172611 1373656619 /nfs/dbraw/zinc/65/66/19/1373656619.db2.gz OJDYBTKARSVPFQ-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN CC(C)(C)n1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001131251120 1373669413 /nfs/dbraw/zinc/66/94/13/1373669413.db2.gz VFLZVTGCHUQLSN-UHFFFAOYSA-N 0 0 339.355 3.347 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)n1 ZINC001131481185 1373706889 /nfs/dbraw/zinc/70/68/89/1373706889.db2.gz YURIPNUTKOBGEQ-UHFFFAOYSA-N 0 0 346.240 3.221 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2n1 ZINC001131589962 1373727191 /nfs/dbraw/zinc/72/71/91/1373727191.db2.gz WGSSYCRUOCSCTC-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(F)c1F ZINC001131699564 1373769729 /nfs/dbraw/zinc/76/97/29/1373769729.db2.gz NVYCQHAFKVYTDR-UHFFFAOYSA-N 0 0 338.335 3.282 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001131719816 1373773904 /nfs/dbraw/zinc/77/39/04/1373773904.db2.gz PFUZZFWGQIRLQP-ZDUSSCGKSA-N 0 0 346.770 3.120 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC001131868743 1373850854 /nfs/dbraw/zinc/85/08/54/1373850854.db2.gz WGNZPJXGLYQVCS-UHFFFAOYSA-N 0 0 327.340 3.370 10 5 EGBERN COC(=O)C(C)(C)c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001131883117 1373874970 /nfs/dbraw/zinc/87/49/70/1373874970.db2.gz HEIXNONFCPHPPQ-UHFFFAOYSA-N 0 0 343.335 3.265 10 5 EGBERN COc1cnc(F)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001132324774 1375303735 /nfs/dbraw/zinc/30/37/35/1375303735.db2.gz LNGRDGKSANYAJH-UHFFFAOYSA-N 0 0 331.259 3.136 10 5 EGBERN CC(C)(C)c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)o1 ZINC001132341258 1375321036 /nfs/dbraw/zinc/32/10/36/1375321036.db2.gz QXZBQFGBXZVPFK-UHFFFAOYSA-N 0 0 332.356 3.181 10 5 EGBERN COc1nc(C)ccc1C(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC001132654262 1375499902 /nfs/dbraw/zinc/49/99/02/1375499902.db2.gz JFZIATCSYHOIHP-UHFFFAOYSA-N 0 0 330.340 3.281 10 5 EGBERN COc1ccc(C(=O)N[C@@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001132763929 1375552736 /nfs/dbraw/zinc/55/27/36/1375552736.db2.gz IHTRFAYSRPBPND-ZDUSSCGKSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)n1 ZINC001132774552 1375556671 /nfs/dbraw/zinc/55/66/71/1375556671.db2.gz ALDDZAQWEQOREZ-GDBMZVCRSA-N 0 0 329.331 3.054 10 5 EGBERN Cc1ccc(C(=O)Nc2ccc3c(c2)SCC(=O)N3)cc1[N+](=O)[O-] ZINC001132773259 1375556742 /nfs/dbraw/zinc/55/67/42/1375556742.db2.gz ZFUDNTSAUSFWIK-UHFFFAOYSA-N 0 0 343.364 3.200 10 5 EGBERN COc1ccc(Cl)c(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC001188854046 1388391098 /nfs/dbraw/zinc/39/10/98/1388391098.db2.gz PIALNBVTLAJBRF-UHFFFAOYSA-N 0 0 332.747 3.358 10 5 EGBERN Cc1nn(Cc2noc(C3CCCCC3)n2)c2ncc([N+](=O)[O-])cc12 ZINC001188854613 1388392051 /nfs/dbraw/zinc/39/20/51/1388392051.db2.gz UGFNZTWEGZGXOW-UHFFFAOYSA-N 0 0 342.359 3.127 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1C ZINC001133259600 1375876130 /nfs/dbraw/zinc/87/61/30/1375876130.db2.gz CHPRZGCKTJRIGV-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN CC(C)(C(=O)NCc1noc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001133390032 1375975079 /nfs/dbraw/zinc/97/50/79/1375975079.db2.gz AIDZMGYNLUWZQQ-UHFFFAOYSA-N 0 0 339.351 3.330 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC001134346578 1376488467 /nfs/dbraw/zinc/48/84/67/1376488467.db2.gz MPXDDYKORQFYQG-NSHDSACASA-N 0 0 343.335 3.456 10 5 EGBERN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001134346675 1376488562 /nfs/dbraw/zinc/48/85/62/1376488562.db2.gz RKEFLKORHUCHRT-LBPRGKRZSA-N 0 0 327.336 3.377 10 5 EGBERN COc1c(Cl)cccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001134522570 1376576215 /nfs/dbraw/zinc/57/62/15/1376576215.db2.gz ZDIRMXLIDDWESV-UHFFFAOYSA-N 0 0 326.761 3.248 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001134596194 1376618594 /nfs/dbraw/zinc/61/85/94/1376618594.db2.gz STGKNERBKRZRDS-LKFCYVNXSA-N 0 0 326.805 3.073 10 5 EGBERN Cc1cc(COc2cc([N+](=O)[O-])ccc2Br)nc(C)n1 ZINC001189146591 1388466929 /nfs/dbraw/zinc/46/69/29/1388466929.db2.gz XBWJRGNTLAAPRD-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN Cc1c(C(=O)NCc2cc3ccccc3[nH]c2=O)cccc1[N+](=O)[O-] ZINC001135099556 1376897662 /nfs/dbraw/zinc/89/76/62/1376897662.db2.gz HOEODHUXWZDHOT-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1cc(NC(=O)c2ccccc2Cn2cccn2)cc([N+](=O)[O-])c1 ZINC001135145576 1376933001 /nfs/dbraw/zinc/93/30/01/1376933001.db2.gz ROKIKNPMTQXYHR-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001135222159 1376983941 /nfs/dbraw/zinc/98/39/41/1376983941.db2.gz LDLRUPCENVEFHI-DODZYUBVSA-N 0 0 344.411 3.116 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2C)no1 ZINC001135253430 1377004034 /nfs/dbraw/zinc/00/40/34/1377004034.db2.gz SZFFAZSZEMFFMC-CQSZACIVSA-N 0 0 333.319 3.316 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(C)c1 ZINC001264861153 1377144041 /nfs/dbraw/zinc/14/40/41/1377144041.db2.gz XOZKBGBFHFNWSR-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC001264860605 1377144170 /nfs/dbraw/zinc/14/41/70/1377144170.db2.gz BCKGHEGSXRNSFG-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC ZINC001135595102 1377157989 /nfs/dbraw/zinc/15/79/89/1377157989.db2.gz HETKHRYOKPVVAI-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN CCOc1ccccc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136355689 1377382601 /nfs/dbraw/zinc/38/26/01/1377382601.db2.gz DAHBKKPILIELJV-UHFFFAOYSA-N 0 0 349.774 3.159 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC001136792814 1377423383 /nfs/dbraw/zinc/42/33/83/1377423383.db2.gz MQFQEDVEMJAOPL-UHFFFAOYSA-N 0 0 343.358 3.369 10 5 EGBERN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)Oc1ccccc1 ZINC001136815052 1377425750 /nfs/dbraw/zinc/42/57/50/1377425750.db2.gz ZLANIPQVBIQHAB-NSHDSACASA-N 0 0 334.759 3.446 10 5 EGBERN CCCCC[C@H](O)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840053 1377428949 /nfs/dbraw/zinc/42/89/49/1377428949.db2.gz BGOJTUUYSSRPCM-GOEBONIOSA-N 0 0 338.429 3.110 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001137076089 1377473541 /nfs/dbraw/zinc/47/35/41/1377473541.db2.gz WLMGIAJWKATJAN-NEPJUHHUSA-N 0 0 342.367 3.434 10 5 EGBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)s1 ZINC001137834065 1377626227 /nfs/dbraw/zinc/62/62/27/1377626227.db2.gz VJQRWKMHWJOJOQ-SCSAIBSYSA-N 0 0 335.172 3.177 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC(=O)c2ccccc21 ZINC001137870485 1377634523 /nfs/dbraw/zinc/63/45/23/1377634523.db2.gz UAHAJGPFOSBKRZ-OAHLLOKOSA-N 0 0 342.326 3.110 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2scnc21 ZINC001138020513 1377666936 /nfs/dbraw/zinc/66/69/36/1377666936.db2.gz KNABYEZHPYOIRK-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN CC(C)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001138758701 1377780991 /nfs/dbraw/zinc/78/09/91/1377780991.db2.gz CJIUIVSYPQEBFF-UHFFFAOYSA-N 0 0 328.372 3.274 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCCCCCC1 ZINC001141251275 1378283990 /nfs/dbraw/zinc/28/39/90/1378283990.db2.gz YTXAHQGWEPYWDO-UHFFFAOYSA-N 0 0 338.429 3.086 10 5 EGBERN Nc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1[N+](=O)[O-] ZINC001141767872 1378372844 /nfs/dbraw/zinc/37/28/44/1378372844.db2.gz SHJWYZRZGNVECB-UHFFFAOYSA-N 0 0 327.340 3.361 10 5 EGBERN Nc1ccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001141767600 1378372849 /nfs/dbraw/zinc/37/28/49/1378372849.db2.gz MCWUMRZQIMOAGN-UONOGXRCSA-N 0 0 329.331 3.448 10 5 EGBERN CC(C)[C@@H](C)N(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001142135923 1378415681 /nfs/dbraw/zinc/41/56/81/1378415681.db2.gz XARULCSRNCLYCY-SECBINFHSA-N 0 0 325.796 3.480 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(-c2cccs2)[nH]n1 ZINC001142853518 1378495908 /nfs/dbraw/zinc/49/59/08/1378495908.db2.gz BYJSWNNTFCVBIB-UHFFFAOYSA-N 0 0 346.343 3.367 10 5 EGBERN O=C(NCc1ccc(Oc2ccccc2)cn1)c1cc([N+](=O)[O-])c[nH]1 ZINC001143578582 1378619935 /nfs/dbraw/zinc/61/99/35/1378619935.db2.gz VAGUWCQTHBMDMF-UHFFFAOYSA-N 0 0 338.323 3.040 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCc2cccnc21 ZINC001143620573 1378625795 /nfs/dbraw/zinc/62/57/95/1378625795.db2.gz VCRCOPQTVCDZHB-ZDUSSCGKSA-N 0 0 345.786 3.032 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC001147205793 1378986648 /nfs/dbraw/zinc/98/66/48/1378986648.db2.gz YVJVQQHKKCCHQO-UHFFFAOYSA-N 0 0 331.759 3.250 10 5 EGBERN CCCCCN(CCO)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001151273565 1379691401 /nfs/dbraw/zinc/69/14/01/1379691401.db2.gz CIMAFMIIJZVCQF-UHFFFAOYSA-N 0 0 342.823 3.192 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(CO)c(C)cc1C ZINC001154470098 1380283954 /nfs/dbraw/zinc/28/39/54/1380283954.db2.gz BAEXFZJYCOTPBY-UHFFFAOYSA-N 0 0 344.367 3.355 10 5 EGBERN CC[C@@H]1CCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845409 1380364197 /nfs/dbraw/zinc/36/41/97/1380364197.db2.gz TXYKNIFWMZMGKX-TZMCWYRMSA-N 0 0 344.415 3.346 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328063826 1388657959 /nfs/dbraw/zinc/65/79/59/1388657959.db2.gz DSHLPRRHKPERSX-FXAINCCUSA-N 0 0 329.274 3.459 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001155664119 1380480445 /nfs/dbraw/zinc/48/04/45/1380480445.db2.gz FBTYBCMMDNJUMV-SNVBAGLBSA-N 0 0 328.796 3.165 10 5 EGBERN CC(C)(C)Nc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001155857247 1380499719 /nfs/dbraw/zinc/49/97/19/1380499719.db2.gz DGBDBTOJFUVVRJ-UHFFFAOYSA-N 0 0 337.767 3.434 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)c(N)c1[N+](=O)[O-] ZINC001158231479 1381168624 /nfs/dbraw/zinc/16/86/24/1381168624.db2.gz GLBDAACLMLYWMJ-UHFFFAOYSA-N 0 0 337.339 3.128 10 5 EGBERN CCc1cccc(OCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001287962603 1381451413 /nfs/dbraw/zinc/45/14/13/1381451413.db2.gz YLFHGODIPHMAQV-UHFFFAOYSA-N 0 0 328.368 3.161 10 5 EGBERN COC(=O)c1cccc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001287974300 1381457844 /nfs/dbraw/zinc/45/78/44/1381457844.db2.gz JNXMCEXISCNZEQ-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2nccnc21 ZINC001288081652 1381565385 /nfs/dbraw/zinc/56/53/85/1381565385.db2.gz VDGXNDHDNJRQFS-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN CC[C@@H](C(=O)Nc1ncc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC001288216066 1381731920 /nfs/dbraw/zinc/73/19/20/1381731920.db2.gz NDLABHCPPWOIHP-CQSZACIVSA-N 0 0 345.355 3.139 10 5 EGBERN COC(=O)CCc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001288318674 1381776726 /nfs/dbraw/zinc/77/67/26/1381776726.db2.gz AZFNPTCUAUBCSY-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN CC(C)(C)c1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001159706232 1381874254 /nfs/dbraw/zinc/87/42/54/1381874254.db2.gz NWDFRYPHGJRKPJ-UHFFFAOYSA-N 0 0 332.360 3.023 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1N(C)C ZINC001288558528 1381884568 /nfs/dbraw/zinc/88/45/68/1381884568.db2.gz GWIONHRRWQPHSB-UHFFFAOYSA-N 0 0 335.310 3.500 10 5 EGBERN COc1ccc(F)cc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001289341836 1381993224 /nfs/dbraw/zinc/99/32/24/1381993224.db2.gz XXIXKZGRANXFQB-LLVKDONJSA-N 0 0 332.331 3.276 10 5 EGBERN CC1(C)CC[C@@H](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)OC1 ZINC001289357346 1381994121 /nfs/dbraw/zinc/99/41/21/1381994121.db2.gz VKLZQLDLMIYGPO-WHWKNOJMSA-N 0 0 332.400 3.320 10 5 EGBERN Cc1ccccc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001290052675 1382050459 /nfs/dbraw/zinc/05/04/59/1382050459.db2.gz UKFIVGIQDVRJEY-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001160502498 1382125166 /nfs/dbraw/zinc/12/51/66/1382125166.db2.gz IZBCKASXVGMDAR-SECBINFHSA-N 0 0 328.372 3.312 10 5 EGBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC=CC2)cc1 ZINC001160935752 1382241484 /nfs/dbraw/zinc/24/14/84/1382241484.db2.gz JCQZKNBCLYUUFP-UHFFFAOYSA-N 0 0 340.335 3.408 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cn2c(cccc2C)n1 ZINC001293406063 1382283405 /nfs/dbraw/zinc/28/34/05/1382283405.db2.gz JRHBXUXGRPDKSE-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001293633898 1382320912 /nfs/dbraw/zinc/32/09/12/1382320912.db2.gz ARJFTARKZIYJPR-SECBINFHSA-N 0 0 338.285 3.432 10 5 EGBERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001161315173 1382368835 /nfs/dbraw/zinc/36/88/35/1382368835.db2.gz AAARTFYPWZCFOJ-SNVBAGLBSA-N 0 0 349.337 3.158 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3c(F)cccc3F)C2)c1 ZINC001294170967 1382424122 /nfs/dbraw/zinc/42/41/22/1382424122.db2.gz ZVWGFCJBYMAOLW-UHFFFAOYSA-N 0 0 346.333 3.496 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC001161580892 1382446164 /nfs/dbraw/zinc/44/61/64/1382446164.db2.gz WDQAMILROPRHHA-UHFFFAOYSA-N 0 0 349.346 3.435 10 5 EGBERN Cc1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)s1 ZINC001295382490 1382622750 /nfs/dbraw/zinc/62/27/50/1382622750.db2.gz XZONCJQKGFRMEA-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnc3ccncc31)CC2 ZINC001295621729 1382745626 /nfs/dbraw/zinc/74/56/26/1382745626.db2.gz YMCHHEFDVZKLQU-UHFFFAOYSA-N 0 0 334.335 3.049 10 5 EGBERN O=c1[nH]ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001162494764 1382772746 /nfs/dbraw/zinc/77/27/46/1382772746.db2.gz VGHOMVOAGQGRGB-LLVKDONJSA-N 0 0 344.154 3.148 10 5 EGBERN CCSCC[C@H](C)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001162680196 1382831120 /nfs/dbraw/zinc/83/11/20/1382831120.db2.gz DOQKPVNADXGKSC-LBPRGKRZSA-N 0 0 349.456 3.415 10 5 EGBERN CCOc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC001162929508 1382919746 /nfs/dbraw/zinc/91/97/46/1382919746.db2.gz LSRVCWYZDCFBDL-UHFFFAOYSA-N 0 0 336.779 3.400 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OC)cc1C ZINC001163054641 1382955707 /nfs/dbraw/zinc/95/57/07/1382955707.db2.gz KMFBJODMZGGHBV-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1=Cc2cc(C)ccc2OC1 ZINC001163062777 1382958807 /nfs/dbraw/zinc/95/88/07/1382958807.db2.gz STHORLZFYJUBAX-UHFFFAOYSA-N 0 0 339.351 3.359 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(C(F)(F)F)s1 ZINC001163062327 1382958946 /nfs/dbraw/zinc/95/89/46/1382958946.db2.gz MDKMQLYOGNQQHJ-UHFFFAOYSA-N 0 0 346.290 3.364 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2CCO)cc1C ZINC001163127146 1382971777 /nfs/dbraw/zinc/97/17/77/1382971777.db2.gz KJQLFNHDNMEEHX-GXTWGEPZSA-N 0 0 336.388 3.043 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001296350508 1382973564 /nfs/dbraw/zinc/97/35/64/1382973564.db2.gz PWEAAPTVQAEXGK-UHFFFAOYSA-N 0 0 348.330 3.410 10 5 EGBERN CCCONC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001163234211 1383001771 /nfs/dbraw/zinc/00/17/71/1383001771.db2.gz OHUBMNOIKCETMX-BETUJISGSA-N 0 0 335.404 3.149 10 5 EGBERN CC1(C)CC(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001296543067 1383017998 /nfs/dbraw/zinc/01/79/98/1383017998.db2.gz JYFYTOZXLSNGON-UHFFFAOYSA-N 0 0 328.372 3.151 10 5 EGBERN Cc1cc2cc(Nc3ncc([N+](=O)[O-])cc3F)ccc2n(C)c1=O ZINC001163378754 1383036387 /nfs/dbraw/zinc/03/63/87/1383036387.db2.gz VHCAYHBDYSEEHG-UHFFFAOYSA-N 0 0 328.303 3.033 10 5 EGBERN Nc1nc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncc1[N+](=O)[O-] ZINC001163519681 1383071467 /nfs/dbraw/zinc/07/14/67/1383071467.db2.gz NYYVVKDIEJLLFW-ZYHUDNBSSA-N 0 0 333.779 3.369 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CSc4ccccc4O3)nc2c1 ZINC001163590858 1383084048 /nfs/dbraw/zinc/08/40/48/1383084048.db2.gz MRCTYNFQYVKHIP-LLVKDONJSA-N 0 0 342.380 3.436 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Oc2ccc3c(c2)CC(=O)N3)cc1Cl ZINC001297249330 1383132992 /nfs/dbraw/zinc/13/29/92/1383132992.db2.gz ASCMYFQYXNQWKO-UHFFFAOYSA-N 0 0 346.726 3.270 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)n1 ZINC001163937638 1383137352 /nfs/dbraw/zinc/13/73/52/1383137352.db2.gz FVEJKQSZDIVYNE-INIZCTEOSA-N 0 0 338.367 3.061 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)C(F)(F)C(F)(F)F)c(Cl)c1 ZINC001163984776 1383143184 /nfs/dbraw/zinc/14/31/84/1383143184.db2.gz XXUCOCZIPGNNFE-MRVPVSSYSA-N 0 0 334.628 3.219 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3c4ccccc4OC[C@@H]3F)nc2c1 ZINC001164114263 1383157651 /nfs/dbraw/zinc/15/76/51/1383157651.db2.gz CBNIRMNZQJLLNP-NHYWBVRUSA-N 0 0 328.303 3.355 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3ccccc3[N+](=O)[O-])nc2c1 ZINC001164146087 1383160940 /nfs/dbraw/zinc/16/09/40/1383160940.db2.gz NWAKCBIPBMCDIL-UHFFFAOYSA-N 0 0 341.327 3.424 10 5 EGBERN CNc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)ccn1 ZINC001164190573 1383164537 /nfs/dbraw/zinc/16/45/37/1383164537.db2.gz FONIVRKUINAPGJ-UHFFFAOYSA-N 0 0 327.266 3.057 10 5 EGBERN COc1cc(N2CC[C@H](c3cnccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001164211450 1383166296 /nfs/dbraw/zinc/16/62/96/1383166296.db2.gz DAHVRJDRENJOMO-JTQLQIEISA-N 0 0 334.763 3.041 10 5 EGBERN Cc1cnc(N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001164349785 1383179758 /nfs/dbraw/zinc/17/97/58/1383179758.db2.gz GFSBMNCLQCDRGH-AGIUHOORSA-N 0 0 348.403 3.251 10 5 EGBERN CCc1ccncc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001164658340 1383214671 /nfs/dbraw/zinc/21/46/71/1383214671.db2.gz KJWLLMCASRJLSK-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN O=[N+]([O-])c1ncn(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)n1 ZINC001165544988 1383308858 /nfs/dbraw/zinc/30/88/58/1383308858.db2.gz HVNUAHZMIGWRNC-UHFFFAOYSA-N 0 0 340.126 3.196 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(CCc3ccc4c(c3)CCO4)n2)cc1 ZINC001165614819 1383315954 /nfs/dbraw/zinc/31/59/54/1383315954.db2.gz IVZPAAHNCSRENQ-UHFFFAOYSA-N 0 0 336.351 3.031 10 5 EGBERN CC(C)c1noc(OCc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001165656320 1383320103 /nfs/dbraw/zinc/32/01/03/1383320103.db2.gz MCBFXSBIXALRGH-UHFFFAOYSA-N 0 0 342.149 3.443 10 5 EGBERN Cc1cc2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2[nH]c1=O ZINC001298352265 1383395725 /nfs/dbraw/zinc/39/57/25/1383395725.db2.gz NBVAUQBGQWAPRY-RUDMXATFSA-N 0 0 349.346 3.397 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC001166399823 1383418679 /nfs/dbraw/zinc/41/86/79/1383418679.db2.gz TXEYUZHHNCTYIR-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1ccc3cnccc3c1)CCCC2 ZINC001166413013 1383419533 /nfs/dbraw/zinc/41/95/33/1383419533.db2.gz HRFVRTGBXGQQKA-UHFFFAOYSA-N 0 0 335.363 3.232 10 5 EGBERN CC(C)C[C@@H](C)n1nccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298810273 1383432436 /nfs/dbraw/zinc/43/24/36/1383432436.db2.gz WYRYBRVSPAMOPA-MRVPVSSYSA-N 0 0 340.771 3.027 10 5 EGBERN O=C(N[C@@H]1COCc2ccccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001299547286 1383564162 /nfs/dbraw/zinc/56/41/62/1383564162.db2.gz HZRCVVSBKOEVJJ-OAHLLOKOSA-N 0 0 337.335 3.077 10 5 EGBERN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001167290984 1383586119 /nfs/dbraw/zinc/58/61/19/1383586119.db2.gz ORQRZBOUUHKLGP-ZUZCIYMTSA-N 0 0 349.774 3.179 10 5 EGBERN Cc1cc(C)cc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)n[nH]2)c1 ZINC001299911310 1383634962 /nfs/dbraw/zinc/63/49/62/1383634962.db2.gz IIDCYTLZIHMZEG-UHFFFAOYSA-N 0 0 339.355 3.193 10 5 EGBERN COc1cc(C)sc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933592 1383635488 /nfs/dbraw/zinc/63/54/88/1383635488.db2.gz SRMRIGDQADAXFS-UHFFFAOYSA-N 0 0 342.323 3.182 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(N)c([N+](=O)[O-])c1 ZINC001300207217 1383651891 /nfs/dbraw/zinc/65/18/91/1383651891.db2.gz ZDRSJLHETWYRSW-ABXWRUBCSA-N 0 0 331.416 3.430 10 5 EGBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001167877107 1383763940 /nfs/dbraw/zinc/76/39/40/1383763940.db2.gz PRGQQILUGGPUNX-UHFFFAOYSA-N 0 0 342.248 3.395 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001303377372 1383796324 /nfs/dbraw/zinc/79/63/24/1383796324.db2.gz DQIIWIFLMIOHRU-HZPDHXFCSA-N 0 0 348.786 3.490 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001303573624 1383807019 /nfs/dbraw/zinc/80/70/19/1383807019.db2.gz UIHHPBKLJNJVBI-WPRPVWTQSA-N 0 0 338.726 3.243 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001328827609 1388882480 /nfs/dbraw/zinc/88/24/80/1388882480.db2.gz MJMSYHDMOYVWFH-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN C[C@H]([C@H](C)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])N1CCOCC1 ZINC001306962383 1383926833 /nfs/dbraw/zinc/92/68/33/1383926833.db2.gz NPUFVMKTMCGCPB-WDEREUQCSA-N 0 0 347.337 3.135 10 5 EGBERN O=[N+]([O-])c1cnccc1NCC1(c2cccc(Br)c2)CC1 ZINC001306972662 1383928415 /nfs/dbraw/zinc/92/84/15/1383928415.db2.gz SWCPTWVWJDKULT-UHFFFAOYSA-N 0 0 348.200 3.318 10 5 EGBERN CCN(C[C@@H](O)c1ccc(C)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001306987124 1383930553 /nfs/dbraw/zinc/93/05/53/1383930553.db2.gz WDIONMHWPRQUER-QGZVFWFLSA-N 0 0 340.383 3.339 10 5 EGBERN CN(Cc1nccs1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001306990963 1383930877 /nfs/dbraw/zinc/93/08/77/1383930877.db2.gz QPVDZIYKVUJQEP-UHFFFAOYSA-N 0 0 345.340 3.144 10 5 EGBERN CCC[C@@H]1CN(c2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])CCO1 ZINC001307071266 1383936084 /nfs/dbraw/zinc/93/60/84/1383936084.db2.gz DNQXZMCXVQJQEI-CYBMUJFWSA-N 0 0 336.388 3.085 10 5 EGBERN CCOC(=O)CN(CCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001307070456 1383936301 /nfs/dbraw/zinc/93/63/01/1383936301.db2.gz HCLYEJZFGXUKGE-UHFFFAOYSA-N 0 0 346.358 3.346 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H]2CCCC[C@H]12 ZINC001307077761 1383937842 /nfs/dbraw/zinc/93/78/42/1383937842.db2.gz UWKRYJRENOPHLY-BBBLOLIVSA-N 0 0 332.326 3.362 10 5 EGBERN CC(C)C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001307079429 1383937869 /nfs/dbraw/zinc/93/78/69/1383937869.db2.gz QBKGOUOZVXVLAQ-LBPRGKRZSA-N 0 0 348.403 3.411 10 5 EGBERN COC(=O)[C@H](C)Cc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001307088647 1383939026 /nfs/dbraw/zinc/93/90/26/1383939026.db2.gz CZWFNRHANWJGML-SNVBAGLBSA-N 0 0 349.774 3.160 10 5 EGBERN C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)NC(=O)OC(C)(C)C ZINC001307110038 1383941423 /nfs/dbraw/zinc/94/14/23/1383941423.db2.gz FTCFODWUSAFHNK-LLVKDONJSA-N 0 0 346.387 3.468 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cccc2c1CCOC2 ZINC001307178014 1383950876 /nfs/dbraw/zinc/95/08/76/1383950876.db2.gz AULCOGATMKYHMM-UHFFFAOYSA-N 0 0 335.363 3.250 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC001307186847 1383952344 /nfs/dbraw/zinc/95/23/44/1383952344.db2.gz HSMLLJCIROXKBM-DXTPNHAXSA-N 0 0 336.413 3.336 10 5 EGBERN COc1cc(COc2ccc([N+](=O)[O-])cc2)c(Br)cn1 ZINC001307255752 1383964750 /nfs/dbraw/zinc/96/47/50/1383964750.db2.gz NBNKFSZNWVIDPR-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN Cn1c2ccncc2nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001307407466 1383984585 /nfs/dbraw/zinc/98/45/85/1383984585.db2.gz ZURKKJDUEMKMAR-UHFFFAOYSA-N 0 0 341.352 3.310 10 5 EGBERN C[C@@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC001311610880 1384293541 /nfs/dbraw/zinc/29/35/41/1384293541.db2.gz HOTISOWGMWFMCS-MZMPZRCHSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H](C)[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313677 1384339188 /nfs/dbraw/zinc/33/91/88/1384339188.db2.gz VOCYRRZQRCMGIO-MAZHCROVSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1c(CNC(=O)NCc2noc3ccccc32)cccc1[N+](=O)[O-] ZINC001312493035 1384352417 /nfs/dbraw/zinc/35/24/17/1384352417.db2.gz QIJMDGIIACRNPB-UHFFFAOYSA-N 0 0 340.339 3.044 10 5 EGBERN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170862122 1384400890 /nfs/dbraw/zinc/40/08/90/1384400890.db2.gz QHZZWDVDAHNMBG-CVEARBPZSA-N 0 0 344.415 3.006 10 5 EGBERN Cc1sccc1CC(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001316594575 1384463364 /nfs/dbraw/zinc/46/33/64/1384463364.db2.gz IXUZHBAQRMTDJQ-UHFFFAOYSA-N 0 0 347.440 3.068 10 5 EGBERN CCC(C)(C)C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001316847481 1384635480 /nfs/dbraw/zinc/63/54/80/1384635480.db2.gz CEZRNYCJSCPVAS-UHFFFAOYSA-N 0 0 327.450 3.031 10 5 EGBERN CC(=O)c1ccc(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC001175697413 1385376661 /nfs/dbraw/zinc/37/66/61/1385376661.db2.gz CQVWLBMJGHTLET-UHFFFAOYSA-N 0 0 341.367 3.181 10 5 EGBERN CC(C)CCCCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001318071933 1385624594 /nfs/dbraw/zinc/62/45/94/1385624594.db2.gz VKEGBUISSVGXKH-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC001177008444 1385771992 /nfs/dbraw/zinc/77/19/92/1385771992.db2.gz QADKOOJWEURZJR-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001318950816 1385893983 /nfs/dbraw/zinc/89/39/83/1385893983.db2.gz AZBFJUUNMDDOLW-UHFFFAOYSA-N 0 0 346.836 3.449 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])o1 ZINC001177283944 1385897303 /nfs/dbraw/zinc/89/73/03/1385897303.db2.gz UFOVPKCTIWOKCJ-UHFFFAOYSA-N 0 0 343.314 3.156 10 5 EGBERN Cc1c2cc[nH]c2ncc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001178673631 1386275197 /nfs/dbraw/zinc/27/51/97/1386275197.db2.gz TWOSUPDVXBRLLR-UHFFFAOYSA-N 0 0 335.323 3.465 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(N)=O)c(F)c1 ZINC001179473161 1386491521 /nfs/dbraw/zinc/49/15/21/1386491521.db2.gz PUYWMTVIJRHFGD-YRNVUSSQSA-N 0 0 329.331 3.348 10 5 EGBERN CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)=C1CCCC1 ZINC001320705912 1386697682 /nfs/dbraw/zinc/69/76/82/1386697682.db2.gz VTUPCMMGECIOKK-UHFFFAOYSA-N 0 0 345.443 3.423 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1csc(C(F)(F)F)n1 ZINC001320876229 1386745181 /nfs/dbraw/zinc/74/51/81/1386745181.db2.gz ULHNYZOFXGKAMU-UHFFFAOYSA-N 0 0 347.274 3.131 10 5 EGBERN Cc1[nH]nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC001181968237 1387084229 /nfs/dbraw/zinc/08/42/29/1387084229.db2.gz GGQDLDMHQVHXJI-UHFFFAOYSA-N 0 0 336.351 3.475 10 5 EGBERN O=C(Nc1ccc2cc[nH]c2c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001322312729 1387155332 /nfs/dbraw/zinc/15/53/32/1387155332.db2.gz KGLLBUDDCNFEHP-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN C[C@@H]1CCn2ncc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2C1 ZINC001330065206 1389297861 /nfs/dbraw/zinc/29/78/61/1389297861.db2.gz BSPLWLQKGNKOKO-SNVBAGLBSA-N 0 0 325.328 3.091 10 5 EGBERN CCCC[C@](C)(F)C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001330230200 1389350645 /nfs/dbraw/zinc/35/06/45/1389350645.db2.gz GAWHCHOJAGLNCE-INIZCTEOSA-N 0 0 341.335 3.343 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001330556787 1389454088 /nfs/dbraw/zinc/45/40/88/1389454088.db2.gz BZBWULRVIJCHCQ-QWHCGFSZSA-N 0 0 349.431 3.021 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001332798510 1390190002 /nfs/dbraw/zinc/19/00/02/1390190002.db2.gz UAZYCXQTAJWFOM-QIRAZROLSA-N 0 0 339.342 3.389 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001334533829 1390553823 /nfs/dbraw/zinc/55/38/23/1390553823.db2.gz YHWKGNIQNIYYOB-ZSPDNNCOSA-N 0 0 342.367 3.480 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC2(CC2(F)F)C1 ZINC001334553435 1390557067 /nfs/dbraw/zinc/55/70/67/1390557067.db2.gz KPYIFXCIERGMQJ-UHFFFAOYSA-N 0 0 330.718 3.095 10 5 EGBERN CN(Cc1cn(C)nc1Cl)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001334670951 1390564786 /nfs/dbraw/zinc/56/47/86/1390564786.db2.gz ZVUKRZPGPGODDR-UHFFFAOYSA-N 0 0 329.187 3.267 10 5 EGBERN Cc1ccc(NC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001344446629 1390791883 /nfs/dbraw/zinc/79/18/83/1390791883.db2.gz GAOHNZYISIXQIQ-NVXWUHKLSA-N 0 0 333.388 3.326 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001344735443 1390812250 /nfs/dbraw/zinc/81/22/50/1390812250.db2.gz NMQJNXSFXLLAFA-TZMCWYRMSA-N 0 0 349.387 3.026 10 5 EGBERN CC1(C)C[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001344971037 1390828252 /nfs/dbraw/zinc/82/82/52/1390828252.db2.gz FQPLNGYAHRAHPQ-GFCCVEGCSA-N 0 0 339.413 3.435 10 5 EGBERN COc1cc([N+](=O)[O-])c(-c2nnc([C@H]3CCCO3)o2)cc1SC ZINC001345582598 1390867137 /nfs/dbraw/zinc/86/71/37/1390867137.db2.gz DHEZNXRIPKFJIJ-SNVBAGLBSA-N 0 0 337.357 3.227 10 5 EGBERN COc1ccc(NC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001345843254 1390888862 /nfs/dbraw/zinc/88/88/62/1390888862.db2.gz XJIBEDUSKJEBMS-NVXWUHKLSA-N 0 0 349.387 3.026 10 5 EGBERN C[C@@H](C(=O)OCCCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001346216451 1390915929 /nfs/dbraw/zinc/91/59/29/1390915929.db2.gz DROIIZXURZVUCY-LLVKDONJSA-N 0 0 348.321 3.126 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)cc2N1 ZINC001347256117 1391041349 /nfs/dbraw/zinc/04/13/49/1391041349.db2.gz BJUILYDURQZJKJ-OUAUKWLOSA-N 0 0 337.326 3.325 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)CCc1cc(Br)cs1 ZINC001347430235 1391074099 /nfs/dbraw/zinc/07/40/99/1391074099.db2.gz KXCUXNPTFBNNKA-SECBINFHSA-N 0 0 336.207 3.042 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1OCc2ccccc21 ZINC001347545573 1391091156 /nfs/dbraw/zinc/09/11/56/1391091156.db2.gz KPONUQBZZBQHOX-MRXNPFEDSA-N 0 0 326.352 3.213 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCOCC1 ZINC001347607529 1391099444 /nfs/dbraw/zinc/09/94/44/1391099444.db2.gz LYFTWNLQGUFIQF-UHFFFAOYSA-N 0 0 343.383 3.179 10 5 EGBERN CSc1ccc(C(=O)NC2([C@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001347620741 1391100877 /nfs/dbraw/zinc/10/08/77/1391100877.db2.gz SABSENBAZROLJY-CQSZACIVSA-N 0 0 336.413 3.148 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Nc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC001347986479 1391154944 /nfs/dbraw/zinc/15/49/44/1391154944.db2.gz KPWFWDJTTHFYJO-NSHDSACASA-N 0 0 343.387 3.397 10 5 EGBERN O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC001348438947 1391220080 /nfs/dbraw/zinc/22/00/80/1391220080.db2.gz KMIWJYMJLURRAM-NSHDSACASA-N 0 0 346.240 3.063 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001349056309 1391299443 /nfs/dbraw/zinc/29/94/43/1391299443.db2.gz JEIXVXLOBVBORB-AAEUAGOBSA-N 0 0 335.404 3.102 10 5 EGBERN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001349117039 1391303922 /nfs/dbraw/zinc/30/39/22/1391303922.db2.gz HGWFIYCCMPTBDM-JKSUJKDBSA-N 0 0 341.323 3.270 10 5 EGBERN COC(=O)c1sccc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001349286854 1391317462 /nfs/dbraw/zinc/31/74/62/1391317462.db2.gz BINPPKDAJJSVAP-JTQLQIEISA-N 0 0 348.380 3.242 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349293524 1391317892 /nfs/dbraw/zinc/31/78/92/1391317892.db2.gz DHEFCLBRDYVYAK-GJZGRUSLSA-N 0 0 340.335 3.124 10 5 EGBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1c(C(F)F)nc2ccccn21 ZINC001349296037 1391318283 /nfs/dbraw/zinc/31/82/83/1391318283.db2.gz YTQOQPDQBASMCZ-UHFFFAOYSA-N 0 0 333.250 3.399 10 5 EGBERN C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349497739 1391335810 /nfs/dbraw/zinc/33/58/10/1391335810.db2.gz HURIRGHTEYYANS-IGCXYCKISA-N 0 0 344.367 3.233 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1OC(F)(F)O2 ZINC001350389978 1391457483 /nfs/dbraw/zinc/45/74/83/1391457483.db2.gz XGOYOBBDUCTTOF-UHFFFAOYSA-N 0 0 336.250 3.477 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC001350396114 1391458373 /nfs/dbraw/zinc/45/83/73/1391458373.db2.gz GFFMGFJYGXEXKR-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001350408820 1391460079 /nfs/dbraw/zinc/46/00/79/1391460079.db2.gz XEVVWESUHRBGGL-UHFFFAOYSA-N 0 0 328.324 3.240 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csnn2)cc1 ZINC001350499653 1391471617 /nfs/dbraw/zinc/47/16/17/1391471617.db2.gz ITZBIDKSOVCQOT-UHFFFAOYSA-N 0 0 341.348 3.470 10 5 EGBERN COc1cccc(C(F)F)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001350628783 1391493687 /nfs/dbraw/zinc/49/36/87/1391493687.db2.gz NEJNADPSNCLWBE-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCCOc2ccccc2)cc1[N+](=O)[O-] ZINC001350684220 1391505888 /nfs/dbraw/zinc/50/58/88/1391505888.db2.gz GBSZDMBTTRPPPR-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN C[C@H](NC(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001350904929 1391555196 /nfs/dbraw/zinc/55/51/96/1391555196.db2.gz NWYVDIJWFDCCQI-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC001351028684 1391584143 /nfs/dbraw/zinc/58/41/43/1391584143.db2.gz YNIIMWIHAGENSG-MRXNPFEDSA-N 0 0 345.399 3.353 10 5 EGBERN Cc1c(OC(=O)c2coc(=O)c3ccccc23)cccc1[N+](=O)[O-] ZINC001351048311 1391587618 /nfs/dbraw/zinc/58/76/18/1391587618.db2.gz TWPYCMXMANHYNL-UHFFFAOYSA-N 0 0 325.276 3.229 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccc(Cl)cc21 ZINC001351380821 1391634020 /nfs/dbraw/zinc/63/40/20/1391634020.db2.gz NEIUHSAPHCHXQD-CQSZACIVSA-N 0 0 345.786 3.116 10 5 EGBERN Cc1cc(-c2nc(C(=O)Oc3cccc([N+](=O)[O-])c3)co2)ccn1 ZINC001351430175 1391639009 /nfs/dbraw/zinc/63/90/09/1391639009.db2.gz JJTACAYMHWOPEG-UHFFFAOYSA-N 0 0 325.280 3.172 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2ccccc2n1 ZINC001351468063 1391641945 /nfs/dbraw/zinc/64/19/45/1391641945.db2.gz SKLZOLJYAUOGBQ-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN O=C(Cc1cccc2cnccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001351697496 1391673488 /nfs/dbraw/zinc/67/34/88/1391673488.db2.gz ZRUVRAAFYAYYEP-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnco2)c1 ZINC001352515777 1391807369 /nfs/dbraw/zinc/80/73/69/1391807369.db2.gz UFLNMVBTXZIBBC-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c2c(ccc1F)OCO2 ZINC001352648263 1391827965 /nfs/dbraw/zinc/82/79/65/1391827965.db2.gz PNHSVHMTQAFEAH-UHFFFAOYSA-N 0 0 338.678 3.368 10 5 EGBERN C[C@@H](OC(=O)c1c2c(ccc1F)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001353254624 1391975543 /nfs/dbraw/zinc/97/55/43/1391975543.db2.gz KCJKRYGRRQRSGE-SECBINFHSA-N 0 0 333.271 3.381 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1 ZINC001353357943 1391995780 /nfs/dbraw/zinc/99/57/80/1391995780.db2.gz XCLRRIQNBGVBFR-QMMMGPOBSA-N 0 0 332.385 3.132 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCn2c3ccccc3nc21 ZINC001353681860 1392066770 /nfs/dbraw/zinc/06/67/70/1392066770.db2.gz PIGTWQUUFZACDB-UHFFFAOYSA-N 0 0 340.314 3.052 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cccc(F)c2C)cc([N+](=O)[O-])c1 ZINC001353989502 1392111749 /nfs/dbraw/zinc/11/17/49/1392111749.db2.gz JYVNJZFWLHDPLQ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1cc(C)cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001354043933 1392118065 /nfs/dbraw/zinc/11/80/65/1392118065.db2.gz JGSDORVFSJYEQY-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cnc2ccnn2c1C(F)F ZINC001354089197 1392119805 /nfs/dbraw/zinc/11/98/05/1392119805.db2.gz KCZBQZDKWLPWLQ-UHFFFAOYSA-N 0 0 348.265 3.103 10 5 EGBERN CO[C@@]1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001354361674 1392140134 /nfs/dbraw/zinc/14/01/34/1392140134.db2.gz CWLROCYMWCSHRI-CJNGLKHVSA-N 0 0 338.429 3.250 10 5 EGBERN CO[C@]1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001354361678 1392140181 /nfs/dbraw/zinc/14/01/81/1392140181.db2.gz CWLROCYMWCSHRI-XJKSGUPXSA-N 0 0 338.429 3.250 10 5 EGBERN CN(C)c1cc(F)c(C(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC001354680586 1392160655 /nfs/dbraw/zinc/16/06/55/1392160655.db2.gz KONKDJMUGUONNK-UHFFFAOYSA-N 0 0 338.726 3.101 10 5 EGBERN O=C(c1ncccc1-c1ccccn1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354840333 1392172087 /nfs/dbraw/zinc/17/20/87/1392172087.db2.gz JXMIWHOQKDVVNX-UHFFFAOYSA-N 0 0 346.346 3.208 10 5 EGBERN O=C(Cc1ccc(F)c(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354841495 1392172333 /nfs/dbraw/zinc/17/23/33/1392172333.db2.gz PMOFKDPCGWBLDE-UHFFFAOYSA-N 0 0 334.734 3.472 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1scc2c1OCCO2 ZINC001355004389 1392184920 /nfs/dbraw/zinc/18/49/20/1392184920.db2.gz NZJJXVVPDBOXAS-UHFFFAOYSA-N 0 0 340.744 3.333 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC2(CC2)C1 ZINC001479425241 1392241940 /nfs/dbraw/zinc/24/19/40/1392241940.db2.gz XWEZAOWAIASCBP-CQSZACIVSA-N 0 0 332.404 3.029 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@@H](F)C1 ZINC001695510506 1406095351 /nfs/dbraw/zinc/09/53/51/1406095351.db2.gz KEKSCNVGWJTSBQ-GXTWGEPZSA-N 0 0 347.394 3.448 10 5 EGBERN CCCN(C(=O)CC)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001713854206 1418651288 /nfs/dbraw/zinc/65/12/88/1418651288.db2.gz DBHHEEABLPJDFE-UHFFFAOYSA-N 0 0 339.461 3.269 10 5 EGBERN O=C(C=C1CCCCC1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001733238769 1429380913 /nfs/dbraw/zinc/38/09/13/1429380913.db2.gz MHBYDTXLBMPLPT-UHFFFAOYSA-N 0 0 349.456 3.285 10 5 EGBERN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC)CC1 ZINC001727348497 1427102879 /nfs/dbraw/zinc/10/28/79/1427102879.db2.gz YEZFIGOSPPJDPY-UHFFFAOYSA-N 0 0 331.376 3.041 10 5 EGBERN CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001745075987 1439726403 /nfs/dbraw/zinc/72/64/03/1439726403.db2.gz DQPWPFCLAFFBDU-ONEGZZNKSA-N 0 0 327.388 3.420 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1[C@@H]1C[C@@H]1C ZINC001751887208 1440125613 /nfs/dbraw/zinc/12/56/13/1440125613.db2.gz BZIYKEFJLUCHAC-BLLLJJGKSA-N 0 0 329.404 3.491 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001764379452 1441389469 /nfs/dbraw/zinc/38/94/69/1441389469.db2.gz ZFJWVVMKOYOEOL-DZGCQCFKSA-N 0 0 327.388 3.252 10 5 EGBERN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000050312529 214053157 /nfs/dbraw/zinc/05/31/57/214053157.db2.gz CHEIUDVDIMQELX-QMTHXVAHSA-N 0 0 347.396 3.016 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356720458 290639572 /nfs/dbraw/zinc/63/95/72/290639572.db2.gz CFKINELHQXWHOP-DZGCQCFKSA-N 0 0 331.416 3.359 10 5 EGBERN CCc1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])OCCO2 ZINC000004656304 210238597 /nfs/dbraw/zinc/23/85/97/210238597.db2.gz MFLGNOWZIIGNLX-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN O=C([C@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000058358126 214561423 /nfs/dbraw/zinc/56/14/23/214561423.db2.gz HLNQGCUYMAGOKF-OAHLLOKOSA-N 0 0 343.408 3.446 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167791030 529750200 /nfs/dbraw/zinc/75/02/00/529750200.db2.gz YQEVQMNHPDIJLT-OCCSQVGLSA-N 0 0 329.404 3.243 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000171578016 529760578 /nfs/dbraw/zinc/76/05/78/529760578.db2.gz MKXHKFBORUPUTD-OAHLLOKOSA-N 0 0 342.399 3.139 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100929046 219111548 /nfs/dbraw/zinc/11/15/48/219111548.db2.gz WJTZWKIFRVQAHM-UHFFFAOYSA-N 0 0 334.244 3.163 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000370578176 168514831 /nfs/dbraw/zinc/51/48/31/168514831.db2.gz SJZJMRMIBNIFKT-HOTGVXAUSA-N 0 0 347.415 3.190 10 5 EGBERN Cc1[nH]nc(SCC(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000003909523 210091435 /nfs/dbraw/zinc/09/14/35/210091435.db2.gz PIONMDVBHPBDKC-UHFFFAOYSA-N 0 0 326.765 3.011 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cccc([N+](=O)[O-])c1 ZINC000003447587 210042857 /nfs/dbraw/zinc/04/28/57/210042857.db2.gz MBNJPVQSMLQLRC-BQYQJAHWSA-N 0 0 328.280 3.260 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066711801 215072276 /nfs/dbraw/zinc/07/22/76/215072276.db2.gz MWQRCXKPSKGVRE-DYVFJYSZSA-N 0 0 326.352 3.197 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccccc2)ncnc1N1CCCCCC1 ZINC000040599110 213357727 /nfs/dbraw/zinc/35/77/27/213357727.db2.gz UOAWTQSDPWWTHZ-UHFFFAOYSA-N 0 0 327.388 3.377 10 5 EGBERN C[C@H](c1ccccn1)N(C(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000069351570 215386546 /nfs/dbraw/zinc/38/65/46/215386546.db2.gz HOJYVJBPOJKRED-LLVKDONJSA-N 0 0 329.331 3.495 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000371864907 168666450 /nfs/dbraw/zinc/66/64/50/168666450.db2.gz PNXXDGYAEJJVPK-AONBVXOQSA-N 0 0 342.395 3.358 10 5 EGBERN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)n1cncn1 ZINC000069594385 215491055 /nfs/dbraw/zinc/49/10/55/215491055.db2.gz WNHDKPXVTRLLSU-IUCAKERBSA-N 0 0 340.181 3.010 10 5 EGBERN C[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000037984351 213183264 /nfs/dbraw/zinc/18/32/64/213183264.db2.gz AQIYPPHQSUCNQM-SECBINFHSA-N 0 0 334.825 3.303 10 5 EGBERN CCCN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037975671 213179237 /nfs/dbraw/zinc/17/92/37/213179237.db2.gz UBUXLNFGURNKCM-UHFFFAOYSA-N 0 0 332.809 3.059 10 5 EGBERN CC(C)CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035818448 213050347 /nfs/dbraw/zinc/05/03/47/213050347.db2.gz AHMVMCGULYWSPN-SFHVURJKSA-N 0 0 327.384 3.374 10 5 EGBERN O=C(Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003223813 295969441 /nfs/dbraw/zinc/96/94/41/295969441.db2.gz BEYMYPWLILATFM-UHFFFAOYSA-N 0 0 348.340 3.091 10 5 EGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC000072451229 216239641 /nfs/dbraw/zinc/23/96/41/216239641.db2.gz MTGFLWOCDZQNEX-UHFFFAOYSA-N 0 0 335.319 3.202 10 5 EGBERN Cc1noc(C)c1C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130115754 223123483 /nfs/dbraw/zinc/12/34/83/223123483.db2.gz WQOQJDKGTIQXSG-VIFPVBQESA-N 0 0 342.355 3.042 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000026102599 212506736 /nfs/dbraw/zinc/50/67/36/212506736.db2.gz CIMKPZHRGLVYDO-UHFFFAOYSA-N 0 0 336.351 3.405 10 5 EGBERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191611232 239211956 /nfs/dbraw/zinc/21/19/56/239211956.db2.gz FNGOHIVERMXSBQ-GXFFZTMASA-N 0 0 326.780 3.022 10 5 EGBERN Cc1ccnc(NCCc2ccc(Br)o2)c1[N+](=O)[O-] ZINC000132121633 223302629 /nfs/dbraw/zinc/30/26/29/223302629.db2.gz RFBKGSKMBZNCCN-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN Cc1cc(C2CC2)nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000362259696 241944066 /nfs/dbraw/zinc/94/40/66/241944066.db2.gz VYBXEIDTXYJEDD-UHFFFAOYSA-N 0 0 348.309 3.030 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(C3CCOCC3)CC2)c(Cl)c1 ZINC000133543916 223426241 /nfs/dbraw/zinc/42/62/41/223426241.db2.gz MYOMSXREMBUHOK-UHFFFAOYSA-N 0 0 325.796 3.286 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346619251 284020736 /nfs/dbraw/zinc/02/07/36/284020736.db2.gz KPZFARGPUYBHNM-KOHJWAIASA-N 0 0 325.368 3.452 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000078439311 217052855 /nfs/dbraw/zinc/05/28/55/217052855.db2.gz WORZJLQJXGIHMB-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1cccs1 ZINC000016420194 211902493 /nfs/dbraw/zinc/90/24/93/211902493.db2.gz BAKXFYPWHAVIPT-CYBMUJFWSA-N 0 0 347.440 3.308 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnc(-c3cccs3)o1)CC2 ZINC000088616515 217763916 /nfs/dbraw/zinc/76/39/16/217763916.db2.gz LTSSYBDPZWSUMO-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000377245907 169002258 /nfs/dbraw/zinc/00/22/58/169002258.db2.gz PNSJPLFNSNZEJC-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378399695 169114560 /nfs/dbraw/zinc/11/45/60/169114560.db2.gz SAJYTCSDXFJFNP-LPHOPBHVSA-N 0 0 340.379 3.031 10 5 EGBERN COc1cc(OCC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000378620295 169148068 /nfs/dbraw/zinc/14/80/68/169148068.db2.gz SHBRPDAYVVAUJL-UGSOOPFHSA-N 0 0 348.399 3.021 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CCC[C@H]21 ZINC000408376435 169173290 /nfs/dbraw/zinc/17/32/90/169173290.db2.gz SKOPDLGOKDXDSD-NOZJJQNGSA-N 0 0 339.189 3.372 10 5 EGBERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCn1cnc([N+](=O)[O-])c1 ZINC000012525637 211398706 /nfs/dbraw/zinc/39/87/06/211398706.db2.gz MOOBMEOAVNDRFJ-GFCCVEGCSA-N 0 0 342.355 3.147 10 5 EGBERN Cc1c(NCc2cc([N+](=O)[O-])cc3c2OCOC3)cccc1[N+](=O)[O-] ZINC000008428688 210952701 /nfs/dbraw/zinc/95/27/01/210952701.db2.gz BDLBTXNZOKAPNU-UHFFFAOYSA-N 0 0 345.311 3.290 10 5 EGBERN COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000006386011 210626320 /nfs/dbraw/zinc/62/63/20/210626320.db2.gz GQEUZKVIZCXINL-VOTSOKGWSA-N 0 0 328.324 3.264 10 5 EGBERN Cc1sc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000152870496 224023857 /nfs/dbraw/zinc/02/38/57/224023857.db2.gz DJYRCYLHUFZHEE-HNNXBMFYSA-N 0 0 326.418 3.026 10 5 EGBERN COc1cc(N(C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1F ZINC000166038330 532950657 /nfs/dbraw/zinc/95/06/57/532950657.db2.gz DIJZNAAIWWGXDA-UHFFFAOYSA-N 0 0 325.365 3.186 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3ccon3)no2)cc(C(F)(F)F)c1 ZINC000357338126 285081449 /nfs/dbraw/zinc/08/14/49/285081449.db2.gz JMHKVLUPGXBFSZ-UHFFFAOYSA-N 0 0 326.190 3.319 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1nnc(-c3cccs3)o1)CC2 ZINC000097374213 219017374 /nfs/dbraw/zinc/01/73/74/219017374.db2.gz GWMQUKPSENHXEP-UHFFFAOYSA-N 0 0 328.353 3.269 10 5 EGBERN Cc1c(CC(=O)Nc2ccnn2[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000119483698 221330671 /nfs/dbraw/zinc/33/06/71/221330671.db2.gz FNKQAQIXEPMMQK-LBPRGKRZSA-N 0 0 328.372 3.252 10 5 EGBERN O=C(Nc1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012880575 258055549 /nfs/dbraw/zinc/05/55/49/258055549.db2.gz KAZZWFSPFZDXJT-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccco1 ZINC000103930300 140881336 /nfs/dbraw/zinc/88/13/36/140881336.db2.gz MHPMRSNWRGLORM-ZIAGYGMSSA-N 0 0 338.323 3.116 10 5 EGBERN Cc1cc2c(cc1NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)OCO2 ZINC000182741205 140988312 /nfs/dbraw/zinc/98/83/12/140988312.db2.gz NTFLZEYVRDIOFA-UHFFFAOYSA-N 0 0 339.307 3.366 10 5 EGBERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263522646 141055880 /nfs/dbraw/zinc/05/58/80/141055880.db2.gz RTFASQRCLOLSCI-INIZCTEOSA-N 0 0 328.368 3.161 10 5 EGBERN Cc1nc2ccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2o1 ZINC000338154932 141104775 /nfs/dbraw/zinc/10/47/75/141104775.db2.gz VWEBPLKTDBBSFR-UHFFFAOYSA-N 0 0 339.351 3.359 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(F)cc2Cl)n1 ZINC000344474535 141160215 /nfs/dbraw/zinc/16/02/15/141160215.db2.gz ATIUWMBFOJUULX-UHFFFAOYSA-N 0 0 326.715 3.164 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)n1 ZINC000352970048 141280368 /nfs/dbraw/zinc/28/03/68/141280368.db2.gz SXOVVBKOYIVAJQ-MRXNPFEDSA-N 0 0 340.383 3.179 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2cccc2)c(F)c1 ZINC000356283949 141335885 /nfs/dbraw/zinc/33/58/85/141335885.db2.gz ROLQKIUIGNSTIL-UHFFFAOYSA-N 0 0 341.298 3.483 10 5 EGBERN Cc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000171614182 144007443 /nfs/dbraw/zinc/00/74/43/144007443.db2.gz OPZYVFIAWBAMIU-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171642617 144009120 /nfs/dbraw/zinc/00/91/20/144009120.db2.gz DRLBKNASTFMENT-SNVBAGLBSA-N 0 0 337.426 3.441 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccn2)CC1 ZINC000171807863 144011114 /nfs/dbraw/zinc/01/11/14/144011114.db2.gz RZQFHYOFYDINQE-UHFFFAOYSA-N 0 0 340.383 3.476 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173415113 144041782 /nfs/dbraw/zinc/04/17/82/144041782.db2.gz YDHSKQNVYNRCLO-CQSZACIVSA-N 0 0 345.424 3.308 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000184602214 144095848 /nfs/dbraw/zinc/09/58/48/144095848.db2.gz YKZNQYKWNQBGPA-UHFFFAOYSA-N 0 0 338.363 3.048 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184915467 144100891 /nfs/dbraw/zinc/10/08/91/144100891.db2.gz YXEKTDRPTWUIBA-NSHDSACASA-N 0 0 347.321 3.206 10 5 EGBERN CCC(C)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185635918 144116472 /nfs/dbraw/zinc/11/64/72/144116472.db2.gz QDPZIRSRVLMVRS-UHFFFAOYSA-N 0 0 337.401 3.000 10 5 EGBERN CSc1cccc(C(=O)N[C@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000186343301 144130966 /nfs/dbraw/zinc/13/09/66/144130966.db2.gz ICHPMGFUKCHEAY-LBPRGKRZSA-N 0 0 330.365 3.180 10 5 EGBERN Cn1cc([C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C)cn1 ZINC000351735266 144298754 /nfs/dbraw/zinc/29/87/54/144298754.db2.gz LQRNAGQQSQJERQ-HNNXBMFYSA-N 0 0 338.358 3.484 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1 ZINC000351880899 144319801 /nfs/dbraw/zinc/31/98/01/144319801.db2.gz CCZGMCCXAMCJHP-UHFFFAOYSA-N 0 0 341.293 3.047 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COC1CCC(C)CC1 ZINC000361570116 144329980 /nfs/dbraw/zinc/32/99/80/144329980.db2.gz AHEUOOMGCLKNCH-MFOWVQHXSA-N 0 0 332.400 3.468 10 5 EGBERN COc1cc(CN2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000359883562 286221131 /nfs/dbraw/zinc/22/11/31/286221131.db2.gz WMKINYILKDSSHN-ZDUSSCGKSA-N 0 0 328.368 3.387 10 5 EGBERN CC[C@@H](Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341492252 155321387 /nfs/dbraw/zinc/32/13/87/155321387.db2.gz WRSCEOHIJVGTLE-LBPRGKRZSA-N 0 0 348.790 3.175 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116095889 152043530 /nfs/dbraw/zinc/04/35/30/152043530.db2.gz HCOJRRBWUOBVSI-WFASDCNBSA-N 0 0 332.306 3.467 10 5 EGBERN CCn1cnnc1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116278786 152054418 /nfs/dbraw/zinc/05/44/18/152054418.db2.gz PHETZGLNBDPDFV-UHFFFAOYSA-N 0 0 349.822 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1ccco1 ZINC000116288650 152054592 /nfs/dbraw/zinc/05/45/92/152054592.db2.gz NCJKQBPBKOXLDC-HNNXBMFYSA-N 0 0 329.356 3.272 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000120064433 152248059 /nfs/dbraw/zinc/24/80/59/152248059.db2.gz UFMUZRZBQQUNKT-ZDUSSCGKSA-N 0 0 328.368 3.312 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000188525920 153021307 /nfs/dbraw/zinc/02/13/07/153021307.db2.gz KPGWJOBMWHRYQE-UHFFFAOYSA-N 0 0 331.372 3.362 10 5 EGBERN Cc1c(C(=O)N2CCC(Nc3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000190397806 153136731 /nfs/dbraw/zinc/13/67/31/153136731.db2.gz UZSAWIUWOBYGCF-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000190859539 153162783 /nfs/dbraw/zinc/16/27/83/153162783.db2.gz HPWUCFXVIPVLPU-UHFFFAOYSA-N 0 0 325.368 3.472 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(Cl)c1C ZINC000341610119 155380589 /nfs/dbraw/zinc/38/05/89/155380589.db2.gz ORRHAGDMUKKMEQ-UHFFFAOYSA-N 0 0 345.786 3.459 10 5 EGBERN Cc1cnc(COC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000191363735 153191190 /nfs/dbraw/zinc/19/11/90/153191190.db2.gz ZSSKGBIDVQGIBM-DIFFPNOSSA-N 0 0 342.351 3.215 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000191412743 153194761 /nfs/dbraw/zinc/19/47/61/153194761.db2.gz WUABLHBDRYOREO-CQSZACIVSA-N 0 0 327.340 3.467 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000191944706 153232360 /nfs/dbraw/zinc/23/23/60/153232360.db2.gz ZPNDJSIQXRSRGG-RISCZKNCSA-N 0 0 343.383 3.459 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(CC2CC2)nc1C ZINC000341615914 155384228 /nfs/dbraw/zinc/38/42/28/155384228.db2.gz PHGSLUVNFUDODF-UHFFFAOYSA-N 0 0 345.355 3.495 10 5 EGBERN CC[C@H](Nc1cc(-n2cnnn2)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000192765955 153258825 /nfs/dbraw/zinc/25/88/25/153258825.db2.gz OCFOPPRWAQTUMZ-INIZCTEOSA-N 0 0 338.371 3.442 10 5 EGBERN COc1cccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000194339344 153331361 /nfs/dbraw/zinc/33/13/61/153331361.db2.gz OEFFMEALXNFWDP-ZFWWWQNUSA-N 0 0 326.352 3.137 10 5 EGBERN COC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000341633071 155392396 /nfs/dbraw/zinc/39/23/96/155392396.db2.gz GIAQFUJUZNTLIA-HNNXBMFYSA-N 0 0 333.319 3.243 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000341640849 155396751 /nfs/dbraw/zinc/39/67/51/155396751.db2.gz NUKJNEOKDJAWFA-GFCCVEGCSA-N 0 0 332.360 3.007 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C(F)F ZINC000337292166 154263645 /nfs/dbraw/zinc/26/36/45/154263645.db2.gz OOKBECXETHDVEH-LBPRGKRZSA-N 0 0 332.734 3.437 10 5 EGBERN CC[C@H](Nc1cc(OC)nc(COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000337294754 154266106 /nfs/dbraw/zinc/26/61/06/154266106.db2.gz PLQWVQXNZCMYCK-ZDUSSCGKSA-N 0 0 332.360 3.103 10 5 EGBERN COc1ccc(OCCN2CCCC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000337413234 154340638 /nfs/dbraw/zinc/34/06/38/154340638.db2.gz QBUPPSGWHAXRTE-LBPRGKRZSA-N 0 0 330.331 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000339166616 154732572 /nfs/dbraw/zinc/73/25/72/154732572.db2.gz PJGJNNFVOJTTQB-WFASDCNBSA-N 0 0 326.352 3.198 10 5 EGBERN COC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000339730056 154946480 /nfs/dbraw/zinc/94/64/80/154946480.db2.gz ZQWBTABNYVGJPB-KRWDZBQOSA-N 0 0 339.351 3.194 10 5 EGBERN CC(=O)c1cc(N[C@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000340015974 155072091 /nfs/dbraw/zinc/07/20/91/155072091.db2.gz QIWVSISGUMWSRA-SNVBAGLBSA-N 0 0 330.388 3.191 10 5 EGBERN CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000340067800 155087262 /nfs/dbraw/zinc/08/72/62/155087262.db2.gz UISYPBVQAMISRZ-AWEZNQCLSA-N 0 0 331.372 3.352 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCc1ncc(C)s1 ZINC000342776612 155519816 /nfs/dbraw/zinc/51/98/16/155519816.db2.gz JDAHSAXNZXUXOU-UHFFFAOYSA-N 0 0 349.412 3.134 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCC3(C(F)(F)F)CC3)cc2N1 ZINC000343351622 155758043 /nfs/dbraw/zinc/75/80/43/155758043.db2.gz FITQASHTRMDURG-UHFFFAOYSA-N 0 0 329.278 3.234 10 5 EGBERN CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346889004 156181268 /nfs/dbraw/zinc/18/12/68/156181268.db2.gz KNKQFOUKBCAVBA-VIFPVBQESA-N 0 0 342.220 3.267 10 5 EGBERN CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nccs1 ZINC000348919316 156287301 /nfs/dbraw/zinc/28/73/01/156287301.db2.gz FUFHYFXLSOCJEF-SNVBAGLBSA-N 0 0 330.369 3.414 10 5 EGBERN Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])nc1 ZINC000354685546 156593385 /nfs/dbraw/zinc/59/33/85/156593385.db2.gz BDZPXGOUVUNAIR-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356439334 156690119 /nfs/dbraw/zinc/69/01/19/156690119.db2.gz VJMKLCBUYAMFKX-JTQLQIEISA-N 0 0 340.788 3.082 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000358216721 156753236 /nfs/dbraw/zinc/75/32/36/156753236.db2.gz AHGGTZZFXDBLGC-INIZCTEOSA-N 0 0 344.342 3.307 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360174450 156944261 /nfs/dbraw/zinc/94/42/61/156944261.db2.gz KIGHPJVDLZKCLJ-SNVBAGLBSA-N 0 0 341.293 3.047 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cn1 ZINC000360184433 156947067 /nfs/dbraw/zinc/94/70/67/156947067.db2.gz KSADCMAELMILLT-NSHDSACASA-N 0 0 341.293 3.047 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)no1 ZINC000064331265 161563280 /nfs/dbraw/zinc/56/32/80/161563280.db2.gz SVVSRZCMKAPISH-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000080765152 161826919 /nfs/dbraw/zinc/82/69/19/161826919.db2.gz JZYBVPMJOYUGSM-SECBINFHSA-N 0 0 338.360 3.301 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111052328 162143847 /nfs/dbraw/zinc/14/38/47/162143847.db2.gz ABYSPACUZUHAHL-GXTWGEPZSA-N 0 0 336.351 3.005 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc(C)cc2[N+](=O)[O-])no1 ZINC000126180697 162296546 /nfs/dbraw/zinc/29/65/46/162296546.db2.gz ALGCFCNNGCKLQV-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CSC1(C)C ZINC000338492455 163244680 /nfs/dbraw/zinc/24/46/80/163244680.db2.gz WFFRMWXLIDXMRA-SKDRFNHKSA-N 0 0 326.443 3.086 10 5 EGBERN Cc1cc(NCC[C@H](C)[S@](C)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338680688 163317196 /nfs/dbraw/zinc/31/71/96/163317196.db2.gz ISUDHYZFGNBUCC-AUADJRAKSA-N 0 0 338.351 3.491 10 5 EGBERN CCOc1cc(N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000338838323 163360647 /nfs/dbraw/zinc/36/06/47/163360647.db2.gz CDBHEGUKDWEFQY-XOKHGSTOSA-N 0 0 346.387 3.021 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2ccccc2[C@H]1C ZINC000340813295 163671375 /nfs/dbraw/zinc/67/13/75/163671375.db2.gz HNWZUCJPHZXAJR-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN CC1(C)CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000340992880 163710407 /nfs/dbraw/zinc/71/04/07/163710407.db2.gz MIOKUHYCSGLGBB-UHFFFAOYSA-N 0 0 334.420 3.275 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(Cl)cc2)n1 ZINC000341829637 163721333 /nfs/dbraw/zinc/72/13/33/163721333.db2.gz XTXZUKKBSYBBHX-UHFFFAOYSA-N 0 0 336.779 3.130 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341839295 163722665 /nfs/dbraw/zinc/72/26/65/163722665.db2.gz FYHKCROCTOJQLA-JSGCOSHPSA-N 0 0 327.340 3.053 10 5 EGBERN CC(=O)c1ccc(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342060846 163776246 /nfs/dbraw/zinc/77/62/46/163776246.db2.gz KLERZSVZXNVUCH-GFCCVEGCSA-N 0 0 326.352 3.217 10 5 EGBERN O=C(c1cccc(C2CCC2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343618123 163995922 /nfs/dbraw/zinc/99/59/22/163995922.db2.gz WMEMXPFOXFXJJB-UHFFFAOYSA-N 0 0 337.379 3.456 10 5 EGBERN COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000343647149 164003062 /nfs/dbraw/zinc/00/30/62/164003062.db2.gz YRNWVIRPQRIAMQ-LBPRGKRZSA-N 0 0 344.367 3.012 10 5 EGBERN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000343673683 164009321 /nfs/dbraw/zinc/00/93/21/164009321.db2.gz RKRDALLEKPXTLO-NSHDSACASA-N 0 0 342.417 3.144 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000354806347 166037352 /nfs/dbraw/zinc/03/73/52/166037352.db2.gz NPUOYCNKLJUFJM-UHFFFAOYSA-N 0 0 335.385 3.106 10 5 EGBERN CSCc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000343979711 164076343 /nfs/dbraw/zinc/07/63/43/164076343.db2.gz XRJXUPZUAAFKCH-UHFFFAOYSA-N 0 0 328.397 3.368 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000344042152 164089439 /nfs/dbraw/zinc/08/94/39/164089439.db2.gz AQPPKCBMEMBWJL-LLVKDONJSA-N 0 0 349.412 3.040 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1C ZINC000344114330 164106992 /nfs/dbraw/zinc/10/69/92/164106992.db2.gz RLNTYFIWDVHLAM-GFCCVEGCSA-N 0 0 330.388 3.043 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000344174361 164120331 /nfs/dbraw/zinc/12/03/31/164120331.db2.gz FVXUFMDVAGPDQX-GDBMZVCRSA-N 0 0 330.771 3.463 10 5 EGBERN CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000344203380 164125865 /nfs/dbraw/zinc/12/58/65/164125865.db2.gz XCQJCIYLLFSRDR-HNNXBMFYSA-N 0 0 341.367 3.160 10 5 EGBERN COc1ccc(OC)c(CN(c2ccc([N+](=O)[O-])nc2)C2CC2)c1 ZINC000344446973 164181028 /nfs/dbraw/zinc/18/10/28/164181028.db2.gz ZNSHYAGEHUPHKW-UHFFFAOYSA-N 0 0 329.356 3.176 10 5 EGBERN O=C(Cc1ccccc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345639426 164231869 /nfs/dbraw/zinc/23/18/69/164231869.db2.gz XFXBNJURBVYSRJ-QGZVFWFLSA-N 0 0 328.393 3.412 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345678101 164240689 /nfs/dbraw/zinc/24/06/89/164240689.db2.gz NAXBDVXAPOZXHV-CVEARBPZSA-N 0 0 333.347 3.429 10 5 EGBERN Cc1ccc(C(=O)NCCCNc2ccccc2F)cc1[N+](=O)[O-] ZINC000345718518 164251255 /nfs/dbraw/zinc/25/12/55/164251255.db2.gz XJCBULRYPXNWGK-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN Cc1cc(C(=O)NCCCNc2ccccc2F)ccc1[N+](=O)[O-] ZINC000345738773 164255741 /nfs/dbraw/zinc/25/57/41/164255741.db2.gz OSYFQHIJVMRAAG-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN COc1c(C(=O)NCc2ccc(SC)cc2)cccc1[N+](=O)[O-] ZINC000354973743 166076188 /nfs/dbraw/zinc/07/61/88/166076188.db2.gz BMRMZKRNNNMTEX-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN CO[C@@](C)(c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000350419413 165048224 /nfs/dbraw/zinc/04/82/24/165048224.db2.gz NMVGKQYSBBBSKM-QGZVFWFLSA-N 0 0 342.355 3.252 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351621563 165105485 /nfs/dbraw/zinc/10/54/85/165105485.db2.gz QFCQVCJMYCUVFJ-NHYWBVRUSA-N 0 0 339.367 3.187 10 5 EGBERN CCN(C)C(=O)c1cccc(OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000351913463 165147249 /nfs/dbraw/zinc/14/72/49/165147249.db2.gz SNRKIAGXKNXOGH-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000352101921 165236798 /nfs/dbraw/zinc/23/67/98/165236798.db2.gz HECIUZVEWYSTGG-UHFFFAOYSA-N 0 0 333.338 3.195 10 5 EGBERN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cs1 ZINC000352241096 165303772 /nfs/dbraw/zinc/30/37/72/165303772.db2.gz KEAHUEVZYYPOGO-JKSUJKDBSA-N 0 0 332.425 3.254 10 5 EGBERN CC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000352359431 165361837 /nfs/dbraw/zinc/36/18/37/165361837.db2.gz HJRDLUHSZAJATH-AWEZNQCLSA-N 0 0 339.399 3.478 10 5 EGBERN CCO[C@@H](C)c1nc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000353001730 165582028 /nfs/dbraw/zinc/58/20/28/165582028.db2.gz AEVFNQPDWOAUDL-NSHDSACASA-N 0 0 348.428 3.102 10 5 EGBERN CCNC(=O)N(C)c1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000355546545 166239784 /nfs/dbraw/zinc/23/97/84/166239784.db2.gz KVHFUIGDKBQSIC-UHFFFAOYSA-N 0 0 334.401 3.434 10 5 EGBERN CCC(CC)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000355828017 166321535 /nfs/dbraw/zinc/32/15/35/166321535.db2.gz CEYAJFSUAVVYEB-OAHLLOKOSA-N 0 0 330.388 3.236 10 5 EGBERN CCOc1ccc(-c2nc(-c3ncccc3C)no2)cc1[N+](=O)[O-] ZINC000355834606 166323224 /nfs/dbraw/zinc/32/32/24/166323224.db2.gz ACLQCBGKJUIAOA-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000357074481 166577778 /nfs/dbraw/zinc/57/77/78/166577778.db2.gz RZGCODMUQHBEKT-CYBMUJFWSA-N 0 0 331.393 3.174 10 5 EGBERN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1F ZINC000357326585 166647596 /nfs/dbraw/zinc/64/75/96/166647596.db2.gz GKAJQXVSZHAKRB-SNVBAGLBSA-N 0 0 328.303 3.255 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CCc3ccc(F)cc3F)n2)nc1 ZINC000357330412 166649148 /nfs/dbraw/zinc/64/91/48/166649148.db2.gz GYYFHBZNAPDEFN-UHFFFAOYSA-N 0 0 346.293 3.027 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000357360562 166658222 /nfs/dbraw/zinc/65/82/22/166658222.db2.gz HJKHRYYGHSMWQZ-UHFFFAOYSA-N 0 0 345.742 3.304 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC(C2CCCC2)C1 ZINC000357852014 166792325 /nfs/dbraw/zinc/79/23/25/166792325.db2.gz ONFRHUZJIBQAAS-UHFFFAOYSA-N 0 0 340.326 3.458 10 5 EGBERN CN(CCc1ccc(Br)cc1)c1ccncc1[N+](=O)[O-] ZINC000358904815 167000454 /nfs/dbraw/zinc/00/04/54/167000454.db2.gz YVRZVXIDNREZCW-UHFFFAOYSA-N 0 0 336.189 3.431 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000358906893 167001653 /nfs/dbraw/zinc/00/16/53/167001653.db2.gz UAMUSWOWBBGRAY-UHFFFAOYSA-N 0 0 334.278 3.352 10 5 EGBERN CC(C)OCCCN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358973963 167024088 /nfs/dbraw/zinc/02/40/88/167024088.db2.gz HVFHJMCWNVZYSJ-UHFFFAOYSA-N 0 0 346.330 3.083 10 5 EGBERN COC(=O)c1cc(CNc2nc(C)cc(C)c2[N+](=O)[O-])ccc1OC ZINC000359080727 167061741 /nfs/dbraw/zinc/06/17/41/167061741.db2.gz HMEIBNYOYYCHHN-UHFFFAOYSA-N 0 0 345.355 3.014 10 5 EGBERN Cc1occc1-c1nnc(Sc2nc(C)cc(C)c2[N+](=O)[O-])n1C ZINC000359084261 167062455 /nfs/dbraw/zinc/06/24/55/167062455.db2.gz PZQCALZQYPFFQL-UHFFFAOYSA-N 0 0 345.384 3.455 10 5 EGBERN COc1cc(OC)c(OC)cc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359108740 167069002 /nfs/dbraw/zinc/06/90/02/167069002.db2.gz MFNIOERKMMHOOW-UHFFFAOYSA-N 0 0 347.371 3.245 10 5 EGBERN COC(=O)c1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000359157283 167083993 /nfs/dbraw/zinc/08/39/93/167083993.db2.gz NDRWIJUNXPKJQB-KPZWWZAWSA-N 0 0 346.383 3.034 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000359162819 167085854 /nfs/dbraw/zinc/08/58/54/167085854.db2.gz FMFPJQGSKUDYJR-NSHDSACASA-N 0 0 346.387 3.009 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(NC(=O)C(C)C)cc1 ZINC000359372314 167139136 /nfs/dbraw/zinc/13/91/36/167139136.db2.gz RAUZMTSEBAMHML-UHFFFAOYSA-N 0 0 331.376 3.458 10 5 EGBERN CC1(C2CC2)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000359460582 167162715 /nfs/dbraw/zinc/16/27/15/167162715.db2.gz NORRZVSWYWASPN-UHFFFAOYSA-N 0 0 328.372 3.123 10 5 EGBERN CNC(=O)C[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000360282354 167288723 /nfs/dbraw/zinc/28/87/23/167288723.db2.gz FUYWBEPEBRXHFN-MRXNPFEDSA-N 0 0 341.367 3.087 10 5 EGBERN Cc1c(CNC(=O)C[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000360523901 167348697 /nfs/dbraw/zinc/34/86/97/167348697.db2.gz CQICYRGAYQLSFU-CQSZACIVSA-N 0 0 340.379 3.476 10 5 EGBERN C[C@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000362475087 167767848 /nfs/dbraw/zinc/76/78/48/167767848.db2.gz WWDKPWWHXLXDIR-ZDUSSCGKSA-N 0 0 343.383 3.313 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCC12CCC2 ZINC000366798308 168142522 /nfs/dbraw/zinc/14/25/22/168142522.db2.gz RRKZAWZMQFBAEV-UHFFFAOYSA-N 0 0 346.355 3.114 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)s1 ZINC000367100789 168179478 /nfs/dbraw/zinc/17/94/78/168179478.db2.gz QTIQPSITGCGYSM-QWHCGFSZSA-N 0 0 327.369 3.205 10 5 EGBERN Cc1c(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000367563742 168242720 /nfs/dbraw/zinc/24/27/20/168242720.db2.gz MMOBAERCRFMZEB-CRAIPNDOSA-N 0 0 340.379 3.411 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000367813951 168273320 /nfs/dbraw/zinc/27/33/20/168273320.db2.gz KXRNALPLLBPKAI-UHFFFAOYSA-N 0 0 346.770 3.159 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000367843696 168276742 /nfs/dbraw/zinc/27/67/42/168276742.db2.gz SQYCDAQXSNVFCV-MRXNPFEDSA-N 0 0 332.381 3.437 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000159746121 225271236 /nfs/dbraw/zinc/27/12/36/225271236.db2.gz ASGRPJNGJOTOBG-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000121359827 221824090 /nfs/dbraw/zinc/82/40/90/221824090.db2.gz KKTKREGTDDYQPH-AWEZNQCLSA-N 0 0 336.344 3.009 10 5 EGBERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000171507745 227115924 /nfs/dbraw/zinc/11/59/24/227115924.db2.gz ZFFOUFGGKNLOKE-CYBMUJFWSA-N 0 0 349.778 3.351 10 5 EGBERN CC[C@@H](NC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000175547183 265120751 /nfs/dbraw/zinc/12/07/51/265120751.db2.gz AEAURXWEOIZTRQ-QGZVFWFLSA-N 0 0 343.383 3.424 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176813444 265206988 /nfs/dbraw/zinc/20/69/88/265206988.db2.gz NQSDLHGURXMZLS-ZDUSSCGKSA-N 0 0 327.384 3.189 10 5 EGBERN CC[C@H](NC(=O)CSCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177812843 265279021 /nfs/dbraw/zinc/27/90/21/265279021.db2.gz JQKBNBHCLPCEMH-INIZCTEOSA-N 0 0 345.424 3.491 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000177845761 265282435 /nfs/dbraw/zinc/28/24/35/265282435.db2.gz FBZSRQWXSHWAND-CZUORRHYSA-N 0 0 340.379 3.332 10 5 EGBERN C[C@H](c1ccccc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178618535 265329761 /nfs/dbraw/zinc/32/97/61/265329761.db2.gz HYXIKRUYPDXFLF-CYBMUJFWSA-N 0 0 334.397 3.118 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000193472397 266036552 /nfs/dbraw/zinc/03/65/52/266036552.db2.gz YRMXCDBFQVQIOL-UHFFFAOYSA-N 0 0 345.380 3.494 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268478522 266283873 /nfs/dbraw/zinc/28/38/73/266283873.db2.gz ZQUSUGKMWCKQJP-YGRLFVJLSA-N 0 0 334.397 3.207 10 5 EGBERN CO[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000276045927 267469597 /nfs/dbraw/zinc/46/95/97/267469597.db2.gz RFAWIWRPVJPJJT-RNCFNFMXSA-N 0 0 346.305 3.111 10 5 EGBERN COc1cc(C)cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1C ZINC000278479479 268023035 /nfs/dbraw/zinc/02/30/35/268023035.db2.gz HQJWHZVROQHUTD-UHFFFAOYSA-N 0 0 346.387 3.062 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2ncc[nH]2)CC1 ZINC000278501071 268025853 /nfs/dbraw/zinc/02/58/53/268025853.db2.gz XHOWVTDYAWUWAF-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000367904562 274091312 /nfs/dbraw/zinc/09/13/12/274091312.db2.gz PIYGNCSDZRYLLM-GFCCVEGCSA-N 0 0 347.396 3.176 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475400 275183744 /nfs/dbraw/zinc/18/37/44/275183744.db2.gz HKEDLAQISATDEZ-ACJLOTCBSA-N 0 0 339.395 3.370 10 5 EGBERN CCC[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000183046772 275210124 /nfs/dbraw/zinc/21/01/24/275210124.db2.gz KDKGADIGUMYXOW-WOSRLPQWSA-N 0 0 332.400 3.468 10 5 EGBERN Cc1cnccc1OC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000278607607 275258726 /nfs/dbraw/zinc/25/87/26/275258726.db2.gz GIOBIYHYPZKJQT-UHFFFAOYSA-N 0 0 333.413 3.403 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278915136 275287182 /nfs/dbraw/zinc/28/71/82/275287182.db2.gz WETKIEDRTCHBIM-GHMZBOCLSA-N 0 0 345.321 3.196 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1ccc(F)cc1 ZINC000021092673 275476384 /nfs/dbraw/zinc/47/63/84/275476384.db2.gz QFGWPJPJMMFZBG-AWEZNQCLSA-N 0 0 335.316 3.035 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC=C(Br)C1 ZINC000282784804 275670669 /nfs/dbraw/zinc/67/06/69/275670669.db2.gz RUUREESOBPWBKL-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000283562476 275734292 /nfs/dbraw/zinc/73/42/92/275734292.db2.gz PYQXCTXBSAPBGU-DNSOKLHBSA-N 0 0 343.177 3.109 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000286301811 275978571 /nfs/dbraw/zinc/97/85/71/275978571.db2.gz DQQISHRBRXSGFT-ABAIWWIYSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287039266 276074954 /nfs/dbraw/zinc/07/49/54/276074954.db2.gz VGQGZIPWZNHKKQ-CQSZACIVSA-N 0 0 344.415 3.496 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000288452949 276215512 /nfs/dbraw/zinc/21/55/12/276215512.db2.gz PNZVQADEWABEDV-ABAIWWIYSA-N 0 0 341.367 3.282 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000288773423 276251205 /nfs/dbraw/zinc/25/12/05/276251205.db2.gz DQUFJGXEYMSQCB-IUODEOHRSA-N 0 0 330.388 3.086 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2c3ccccc3O[C@H]2C)c1[N+](=O)[O-] ZINC000289120811 276293442 /nfs/dbraw/zinc/29/34/42/276293442.db2.gz QTPWACWIQNEURS-IINYFYTJSA-N 0 0 343.339 3.019 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000290199009 276462194 /nfs/dbraw/zinc/46/21/94/276462194.db2.gz OYHBVUCJZZNPLM-BXUZGUMPSA-N 0 0 334.376 3.316 10 5 EGBERN COCCC1(C)CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000291169588 276600699 /nfs/dbraw/zinc/60/06/99/276600699.db2.gz ZBIKRDQKULKXFS-CYBMUJFWSA-N 0 0 335.404 3.032 10 5 EGBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)c2ccccc2O1 ZINC000172691401 276659283 /nfs/dbraw/zinc/65/92/83/276659283.db2.gz HVKMHMGFCMPBFK-ZDUSSCGKSA-N 0 0 327.340 3.116 10 5 EGBERN CC(C)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291774120 276689225 /nfs/dbraw/zinc/68/92/25/276689225.db2.gz UBDOFWBNOXUYEM-OCCSQVGLSA-N 0 0 338.429 3.101 10 5 EGBERN CN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000111071210 277096414 /nfs/dbraw/zinc/09/64/14/277096414.db2.gz VHPIDUVYFAAARN-UHFFFAOYSA-N 0 0 336.351 3.173 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000355291063 278038396 /nfs/dbraw/zinc/03/83/96/278038396.db2.gz MGPLCFIPAQUQSP-BDJLRTHQSA-N 0 0 336.347 3.243 10 5 EGBERN C[C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000182897482 278142426 /nfs/dbraw/zinc/14/24/26/278142426.db2.gz JKJDPAHBYXSWIB-UVBJJODRSA-N 0 0 336.363 3.007 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OC[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000025397154 278343928 /nfs/dbraw/zinc/34/39/28/278343928.db2.gz PWKGYMOFCJXUKO-ZFWWWQNUSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000363872564 279072103 /nfs/dbraw/zinc/07/21/03/279072103.db2.gz NSXXVWIOWHOBCK-LRDDRELGSA-N 0 0 343.408 3.309 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000150844177 279637569 /nfs/dbraw/zinc/63/75/69/279637569.db2.gz LOMXDNRUOCKMLW-GFCCVEGCSA-N 0 0 331.328 3.101 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000189577320 281289548 /nfs/dbraw/zinc/28/95/48/281289548.db2.gz ISDHETXJGPRWLS-MRXNPFEDSA-N 0 0 326.352 3.465 10 5 EGBERN CO[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000299913806 293833021 /nfs/dbraw/zinc/83/30/21/293833021.db2.gz DWUMQAUSZGCRAY-NOZJJQNGSA-N 0 0 329.194 3.219 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000355902693 295253974 /nfs/dbraw/zinc/25/39/74/295253974.db2.gz ZUBUEPLEGFJWMH-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN Nc1ccc(N2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000376471706 295353341 /nfs/dbraw/zinc/35/33/41/295353341.db2.gz FGROCFGRWKPVDK-UHFFFAOYSA-N 0 0 348.353 3.172 10 5 EGBERN CC(C)(C)OC(=O)CC[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000413582872 309038489 /nfs/dbraw/zinc/03/84/89/309038489.db2.gz AREQMOKLBFHSME-CYBMUJFWSA-N 0 0 335.404 3.328 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000066001317 307360966 /nfs/dbraw/zinc/36/09/66/307360966.db2.gz BSSAEDUUQTYYCP-UHFFFAOYSA-N 0 0 326.399 3.098 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cc(F)ccc1F ZINC000074242427 307391714 /nfs/dbraw/zinc/39/17/14/307391714.db2.gz MCUYTDNNJBZGBG-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCc1cccc(F)c1 ZINC000087272577 307445952 /nfs/dbraw/zinc/44/59/52/307445952.db2.gz RJXHXVJGEUQXTH-UHFFFAOYSA-N 0 0 330.359 3.416 10 5 EGBERN C[C@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000129048786 307609002 /nfs/dbraw/zinc/60/90/02/307609002.db2.gz KRJKYFHYLWXUMN-SNVBAGLBSA-N 0 0 337.173 3.323 10 5 EGBERN Cc1cccc(OCc2noc(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000131210581 307639889 /nfs/dbraw/zinc/63/98/89/307639889.db2.gz KGOXCVYTXCSDRF-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN Cc1ccc(OCC(=O)N(CC(C)C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000131645023 307647036 /nfs/dbraw/zinc/64/70/36/307647036.db2.gz WCZDXKPNKMWHFQ-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000153874138 307783115 /nfs/dbraw/zinc/78/31/15/307783115.db2.gz SXEGTNDKMZVRKA-UHFFFAOYSA-N 0 0 346.774 3.151 10 5 EGBERN C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155365552 307813200 /nfs/dbraw/zinc/81/32/00/307813200.db2.gz HOXSNQHEXVDONY-KBPBESRZSA-N 0 0 348.424 3.206 10 5 EGBERN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCOCC1 ZINC000160358999 307888707 /nfs/dbraw/zinc/88/87/07/307888707.db2.gz WHKMXKZDQSWODT-ZDUSSCGKSA-N 0 0 332.400 3.149 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293138979 308102919 /nfs/dbraw/zinc/10/29/19/308102919.db2.gz SGZMPFIARWVKMM-ZFWWWQNUSA-N 0 0 340.807 3.412 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414468320 309082121 /nfs/dbraw/zinc/08/21/21/309082121.db2.gz CUOBYIJVWZKEGJ-LRDDRELGSA-N 0 0 332.381 3.199 10 5 EGBERN C[C@]12CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000293647723 308149069 /nfs/dbraw/zinc/14/90/69/308149069.db2.gz LJGQIIQLNHJCNU-MFKMUULPSA-N 0 0 330.718 3.366 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000293870906 308169427 /nfs/dbraw/zinc/16/94/27/308169427.db2.gz AURGGQRJSWLOKJ-NKWVEPMBSA-N 0 0 347.596 3.491 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)[C@H]1C ZINC000293870903 308169536 /nfs/dbraw/zinc/16/95/36/308169536.db2.gz AURGGQRJSWLOKJ-BQBZGAKWSA-N 0 0 347.596 3.491 10 5 EGBERN COC[C@H]1CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000294390862 308216791 /nfs/dbraw/zinc/21/67/91/308216791.db2.gz PWVDSSFYNZJNPQ-OAHLLOKOSA-N 0 0 341.367 3.199 10 5 EGBERN O=C(Nc1ccc(C2CCC2)cn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000294622979 308239055 /nfs/dbraw/zinc/23/90/55/308239055.db2.gz HDHTYPPJGZQHIU-UHFFFAOYSA-N 0 0 341.323 3.238 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000294918217 308271229 /nfs/dbraw/zinc/27/12/29/308271229.db2.gz KGKWYYRJGUYGAR-UKRRQHHQSA-N 0 0 329.356 3.287 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000295664094 308348568 /nfs/dbraw/zinc/34/85/68/308348568.db2.gz WJGWWEYPJPYJEU-CQSZACIVSA-N 0 0 332.734 3.280 10 5 EGBERN CCOC(=O)Cc1cnc(NCc2ccc([N+](=O)[O-])cc2C)s1 ZINC000295799909 308361404 /nfs/dbraw/zinc/36/14/04/308361404.db2.gz CCGWDWLAGKPMCE-UHFFFAOYSA-N 0 0 335.385 3.077 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297744970 308560418 /nfs/dbraw/zinc/56/04/18/308560418.db2.gz LDNWNBNMJQWMSO-BDAKNGLRSA-N 0 0 332.282 3.185 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000298048285 308581400 /nfs/dbraw/zinc/58/14/00/308581400.db2.gz UPVLPHZCFKXONE-CVEARBPZSA-N 0 0 347.415 3.135 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000299672092 308683925 /nfs/dbraw/zinc/68/39/25/308683925.db2.gz STJLNSJUJBLROL-UHFFFAOYSA-N 0 0 326.352 3.110 10 5 EGBERN Cc1ccc(N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])c1 ZINC000301108262 308688447 /nfs/dbraw/zinc/68/84/47/308688447.db2.gz SGTOUILQCTVLMW-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN CC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301181235 308690984 /nfs/dbraw/zinc/69/09/84/308690984.db2.gz HWPYMIXDDFRVEO-OAHLLOKOSA-N 0 0 325.368 3.488 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000301220697 308692226 /nfs/dbraw/zinc/69/22/26/308692226.db2.gz BIHIVTSQRCXVHU-INIZCTEOSA-N 0 0 347.321 3.115 10 5 EGBERN Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000301256733 308693803 /nfs/dbraw/zinc/69/38/03/308693803.db2.gz DMXVJYZFHZFDPG-UHFFFAOYSA-N 0 0 332.791 3.278 10 5 EGBERN Cc1noc(COc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)n1 ZINC000301261626 308693910 /nfs/dbraw/zinc/69/39/10/308693910.db2.gz FQBPNWIPDLIIKO-UHFFFAOYSA-N 0 0 328.284 3.053 10 5 EGBERN CC(=O)c1ccc(NC2CCN(C(=O)OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301269701 308694265 /nfs/dbraw/zinc/69/42/65/308694265.db2.gz XNODTWJJHRAJGH-UHFFFAOYSA-N 0 0 349.387 3.219 10 5 EGBERN Cc1cc(N[C@H]2CCCC[C@H]2O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301274311 308694521 /nfs/dbraw/zinc/69/45/21/308694521.db2.gz YITIVDFRXDAPBH-LSDHHAIUSA-N 0 0 328.372 3.076 10 5 EGBERN Cc1cnc(N2CCc3[nH]c4ccc(F)cc4c3C2)c([N+](=O)[O-])c1 ZINC000301449805 308700762 /nfs/dbraw/zinc/70/07/62/308700762.db2.gz PMNIBBYBKLGBNU-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C)n2)cc1Cl ZINC000301641082 308708561 /nfs/dbraw/zinc/70/85/61/308708561.db2.gz BIRKBSJFUPZDPB-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCOc2ccc(Cl)cn2)c1 ZINC000301652437 308709168 /nfs/dbraw/zinc/70/91/68/308709168.db2.gz KFWHENSCYPKELH-UHFFFAOYSA-N 0 0 341.726 3.282 10 5 EGBERN CC(C)OC(=O)N1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301774011 308714764 /nfs/dbraw/zinc/71/47/64/308714764.db2.gz GSMKNYZKDUCWJW-UHFFFAOYSA-N 0 0 343.330 3.294 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943413 308722576 /nfs/dbraw/zinc/72/25/76/308722576.db2.gz YIFOBHCXZHIUKU-SNVBAGLBSA-N 0 0 346.474 3.465 10 5 EGBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)nc1C1CC1 ZINC000302016726 308725299 /nfs/dbraw/zinc/72/52/99/308725299.db2.gz FYIJHPYGKFMYFX-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN COc1ccc([C@@H]2C[C@@H](C)N(c3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302080354 308728491 /nfs/dbraw/zinc/72/84/91/308728491.db2.gz ZZNFVFOGTRKARB-CZUORRHYSA-N 0 0 342.395 3.478 10 5 EGBERN COc1cc(N2CC[C@H](OCc3c(C)noc3C)C2)ccc1[N+](=O)[O-] ZINC000302127989 308730028 /nfs/dbraw/zinc/73/00/28/308730028.db2.gz AAZUTDHOENGMEL-AWEZNQCLSA-N 0 0 347.371 3.004 10 5 EGBERN COc1ccc(CCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000302136309 308730262 /nfs/dbraw/zinc/73/02/62/308730262.db2.gz BFHBKBLAVFQSKM-UHFFFAOYSA-N 0 0 342.399 3.243 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@@H]2CCCC[C@H]21 ZINC000302191321 308732602 /nfs/dbraw/zinc/73/26/02/308732602.db2.gz QZRVZNAGKNTGLL-KWCYVHTRSA-N 0 0 338.429 3.013 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000302205682 308733348 /nfs/dbraw/zinc/73/33/48/308733348.db2.gz WZOAACVETHWVOP-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000302241782 308734991 /nfs/dbraw/zinc/73/49/91/308734991.db2.gz IPLMPSYYFZYYMQ-SFHVURJKSA-N 0 0 344.342 3.378 10 5 EGBERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302471341 308737626 /nfs/dbraw/zinc/73/76/26/308737626.db2.gz UIRADSXYOQQCJG-DGCLKSJQSA-N 0 0 336.392 3.047 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CCC2(C)C)n1 ZINC000410999558 308923626 /nfs/dbraw/zinc/92/36/26/308923626.db2.gz UBNCYRBABVSYDH-UHFFFAOYSA-N 0 0 328.372 3.183 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC2CC1(C(F)(F)F)C2 ZINC000411121985 308927774 /nfs/dbraw/zinc/92/77/74/308927774.db2.gz MXHXVQWWLDYJMT-UHFFFAOYSA-N 0 0 334.681 3.415 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412273265 308978338 /nfs/dbraw/zinc/97/83/38/308978338.db2.gz GLFALMJSOZATSZ-RWMBFGLXSA-N 0 0 336.388 3.020 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000412347172 308982280 /nfs/dbraw/zinc/98/22/80/308982280.db2.gz VJTRYBJQJXFMMK-GOSISDBHSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000412785501 309002550 /nfs/dbraw/zinc/00/25/50/309002550.db2.gz SXLNRQWYGPIROR-SECBINFHSA-N 0 0 328.315 3.457 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2F)cs1 ZINC000413168684 309019311 /nfs/dbraw/zinc/01/93/11/309019311.db2.gz NBFNBEMOEZORKH-SECBINFHSA-N 0 0 340.380 3.319 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2(C3CCC3)CCC2)s1 ZINC000413344467 309027839 /nfs/dbraw/zinc/02/78/39/309027839.db2.gz WJLOAURGDMSOOS-UHFFFAOYSA-N 0 0 344.458 3.442 10 5 EGBERN Cc1cc(S(=O)(=O)NC2CCC(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000416559413 309173646 /nfs/dbraw/zinc/17/36/46/309173646.db2.gz JVNRZHJNYDUIEP-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC(C)(C)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000417050687 309191010 /nfs/dbraw/zinc/19/10/10/309191010.db2.gz LAJBXHQHUWPSQG-SNVBAGLBSA-N 0 0 349.387 3.342 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418139651 309237345 /nfs/dbraw/zinc/23/73/45/309237345.db2.gz IBVVMGJANDINOT-MRXNPFEDSA-N 0 0 345.374 3.481 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000420622394 309290468 /nfs/dbraw/zinc/29/04/68/309290468.db2.gz DBBZEJHZMREPOK-CJNGLKHVSA-N 0 0 341.367 3.026 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000421676789 309334270 /nfs/dbraw/zinc/33/42/70/309334270.db2.gz RCMXZRBMYDPLBM-GXSJLCMTSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000422242847 309358999 /nfs/dbraw/zinc/35/89/99/309358999.db2.gz VMSGSJVNALFSST-DZGCQCFKSA-N 0 0 335.404 3.087 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424997759 309461393 /nfs/dbraw/zinc/46/13/93/309461393.db2.gz JYIOHPWUQPZCEZ-AEFFLSMTSA-N 0 0 344.342 3.117 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000425027518 309462699 /nfs/dbraw/zinc/46/26/99/309462699.db2.gz DVCOZWMMRHHSFC-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN Cn1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c(C(F)(F)F)n1 ZINC000426210204 309501500 /nfs/dbraw/zinc/50/15/00/309501500.db2.gz LERKVHHZIJFWNT-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN CCCC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000426892433 309519517 /nfs/dbraw/zinc/51/95/17/309519517.db2.gz XJJATMMQPURQEU-CYBMUJFWSA-N 0 0 334.420 3.219 10 5 EGBERN C[C@H](Cc1cccc(O)c1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427635155 309532810 /nfs/dbraw/zinc/53/28/10/309532810.db2.gz AWJHCIYEXVDHPU-LLVKDONJSA-N 0 0 339.351 3.143 10 5 EGBERN CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OC)cc1 ZINC000427983524 309539808 /nfs/dbraw/zinc/53/98/08/309539808.db2.gz LEPISJXPFDOBQM-CQSZACIVSA-N 0 0 326.356 3.465 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000428281055 309546513 /nfs/dbraw/zinc/54/65/13/309546513.db2.gz IRLAFUPISUEGNF-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN Cc1cc(NC(=O)c2cn(C)c(=O)c3ccccc23)ccc1[N+](=O)[O-] ZINC000429077845 309570150 /nfs/dbraw/zinc/57/01/50/309570150.db2.gz IGBVKDUTQUXRTB-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000430020750 309594788 /nfs/dbraw/zinc/59/47/88/309594788.db2.gz HIVOWZDXCRIOMN-LSDHHAIUSA-N 0 0 346.408 3.046 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431440999 309633149 /nfs/dbraw/zinc/63/31/49/309633149.db2.gz OCGZPTHLEZRLQL-VIFPVBQESA-N 0 0 329.194 3.379 10 5 EGBERN Cc1cnc(N[C@@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000431493776 309634357 /nfs/dbraw/zinc/63/43/57/309634357.db2.gz JDVUIIODPWBCJC-QMMMGPOBSA-N 0 0 338.165 3.024 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)cc1C ZINC000432320271 309657281 /nfs/dbraw/zinc/65/72/81/309657281.db2.gz NFEPHBFURNPBAS-ZDUSSCGKSA-N 0 0 338.429 3.165 10 5 EGBERN CCOc1cc(CN[C@@](C)(c2noc(C)n2)C2CC2)ccc1[N+](=O)[O-] ZINC000433302324 309685329 /nfs/dbraw/zinc/68/53/29/309685329.db2.gz ISDLUDUKPUODMX-QGZVFWFLSA-N 0 0 346.387 3.100 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])o1 ZINC000434245928 309707396 /nfs/dbraw/zinc/70/73/96/309707396.db2.gz ZTZUBCZCXMSYHI-SNVBAGLBSA-N 0 0 334.376 3.094 10 5 EGBERN COc1cccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000435868331 309741965 /nfs/dbraw/zinc/74/19/65/309741965.db2.gz DJHHTAYPUXMDGZ-MEDUHNTESA-N 0 0 326.352 3.267 10 5 EGBERN COC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000437370502 309791484 /nfs/dbraw/zinc/79/14/84/309791484.db2.gz HDAGTVPIJFXUDK-HNNXBMFYSA-N 0 0 332.331 3.160 10 5 EGBERN COC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000438924700 309822470 /nfs/dbraw/zinc/82/24/70/309822470.db2.gz GMUHQDFUJJYRTP-MRXNPFEDSA-N 0 0 346.358 3.089 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439257100 309829332 /nfs/dbraw/zinc/82/93/32/309829332.db2.gz CTRIFPSHVXKJJR-HZPDHXFCSA-N 0 0 332.400 3.046 10 5 EGBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])o1 ZINC000442793320 309887067 /nfs/dbraw/zinc/88/70/67/309887067.db2.gz OHRVBWWOVIZMHA-UHFFFAOYSA-N 0 0 332.190 3.044 10 5 EGBERN CN(CCC1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766805 309907972 /nfs/dbraw/zinc/90/79/72/309907972.db2.gz YRRBQCQQWXMUNO-UHFFFAOYSA-N 0 0 340.445 3.327 10 5 EGBERN CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443794504 309907995 /nfs/dbraw/zinc/90/79/95/309907995.db2.gz XVDGVBMTWOHQIB-CZUORRHYSA-N 0 0 340.445 3.325 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C(C)(C)CCC(C)=O)n2)c1 ZINC000445582526 309943753 /nfs/dbraw/zinc/94/37/53/309943753.db2.gz HQGGPCHUVYDJGR-UHFFFAOYSA-N 0 0 347.371 3.224 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000446312936 309960021 /nfs/dbraw/zinc/96/00/21/309960021.db2.gz XIGZJTZONIJEGH-UHFFFAOYSA-N 0 0 342.307 3.087 10 5 EGBERN CN(C[C@@H]1CC=CCC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811006 309989432 /nfs/dbraw/zinc/98/94/32/309989432.db2.gz LXKLHVOGWFHAOC-MRXNPFEDSA-N 0 0 345.443 3.220 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cc2ccc3c(c2)NCC3)cc1[N+](=O)[O-] ZINC000449149259 310040503 /nfs/dbraw/zinc/04/05/03/310040503.db2.gz MYQSVKYGUVPBSP-ZDUSSCGKSA-N 0 0 339.395 3.291 10 5 EGBERN CC(C)(NC(=O)Cc1ccc2c(c1)NCC2)c1ccc([N+](=O)[O-])cc1 ZINC000449308456 310052159 /nfs/dbraw/zinc/05/21/59/310052159.db2.gz XIZPNLWZLALJCH-UHFFFAOYSA-N 0 0 339.395 3.157 10 5 EGBERN O=C(CCC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000450066499 310101643 /nfs/dbraw/zinc/10/16/43/310101643.db2.gz MJIGMWIXGWEKOB-GJZGRUSLSA-N 0 0 330.384 3.206 10 5 EGBERN O=C(CCC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000450066500 310101673 /nfs/dbraw/zinc/10/16/73/310101673.db2.gz MJIGMWIXGWEKOB-HUUCEWRRSA-N 0 0 330.384 3.206 10 5 EGBERN CCN(CC1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000450359905 310117673 /nfs/dbraw/zinc/11/76/73/310117673.db2.gz IUGXPHKNHLNDNC-UHFFFAOYSA-N 0 0 341.415 3.128 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000450734642 310139994 /nfs/dbraw/zinc/13/99/94/310139994.db2.gz CXBNBELUTJOSGF-PWSUYJOCSA-N 0 0 336.417 3.463 10 5 EGBERN COC(=O)c1cc(NCc2cnc(C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000450907549 310149083 /nfs/dbraw/zinc/14/90/83/310149083.db2.gz KJHSLPMKNZVJGY-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN COC[C@H]1CCCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450940609 310151010 /nfs/dbraw/zinc/15/10/10/310151010.db2.gz DSPXMPXPTGPBNZ-ZDUSSCGKSA-N 0 0 345.399 3.405 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451120532 310161556 /nfs/dbraw/zinc/16/15/56/310161556.db2.gz KLMUSFDVHCPXBF-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257050 310168346 /nfs/dbraw/zinc/16/83/46/310168346.db2.gz FWTMDLBQVAOYKV-NIKGAXFTSA-N 0 0 344.386 3.456 10 5 EGBERN CC(C)=CCC[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451743256 310195475 /nfs/dbraw/zinc/19/54/75/310195475.db2.gz SXHDNAGYHHKHPM-ZDUSSCGKSA-N 0 0 326.418 3.149 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2c(F)cccc21 ZINC000452186786 310217473 /nfs/dbraw/zinc/21/74/73/310217473.db2.gz AXJGMZRKWVDWFO-QGZVFWFLSA-N 0 0 328.343 3.470 10 5 EGBERN C[C@@]12CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452608130 310234501 /nfs/dbraw/zinc/23/45/01/310234501.db2.gz VWDJXEOYERRSCJ-XOMVMTSMSA-N 0 0 337.379 3.360 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000452821008 310243602 /nfs/dbraw/zinc/24/36/02/310243602.db2.gz DSLSEBXVJWBHQX-YVEFUNNKSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000452868566 310246629 /nfs/dbraw/zinc/24/66/29/310246629.db2.gz GBMRHPZAXDPZPT-MLGOLLRUSA-N 0 0 345.399 3.257 10 5 EGBERN COC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000454354024 310304978 /nfs/dbraw/zinc/30/49/78/310304978.db2.gz JRIQGAIZEUWFBG-NSHDSACASA-N 0 0 325.340 3.014 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454849005 310332457 /nfs/dbraw/zinc/33/24/57/310332457.db2.gz QOSQCYVQDVWPMZ-BFYDXBDKSA-N 0 0 347.415 3.051 10 5 EGBERN Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000456097025 310388359 /nfs/dbraw/zinc/38/83/59/310388359.db2.gz INBIPSUWYICDSL-NUEKZKHPSA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@]12CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000456096415 310388373 /nfs/dbraw/zinc/38/83/73/310388373.db2.gz KJVNJKQHMMQAHG-GJRWTSMGSA-N 0 0 342.395 3.034 10 5 EGBERN O=C(c1cccc(O)c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153084 310390909 /nfs/dbraw/zinc/39/09/09/310390909.db2.gz WNBIOJIXUOQULR-HNNXBMFYSA-N 0 0 326.352 3.320 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCSC[C@H]1C1CC1 ZINC000456181668 310392417 /nfs/dbraw/zinc/39/24/17/310392417.db2.gz OMOWSWVNUQDBPZ-HNNXBMFYSA-N 0 0 331.397 3.044 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456494558 310409122 /nfs/dbraw/zinc/40/91/22/310409122.db2.gz ZXXQZKHMUXOSFV-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN CCC(C)(C)OCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457352240 310449289 /nfs/dbraw/zinc/44/92/89/310449289.db2.gz DZSUGGACIVSRRO-UHFFFAOYSA-N 0 0 346.330 3.131 10 5 EGBERN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000461933311 310593672 /nfs/dbraw/zinc/59/36/72/310593672.db2.gz DXDDDGPCXZKQHM-NSHDSACASA-N 0 0 331.338 3.208 10 5 EGBERN C[C@@H](CC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000475274121 310809481 /nfs/dbraw/zinc/80/94/81/310809481.db2.gz ANEGDRYQCZQDSC-AWEZNQCLSA-N 0 0 333.432 3.316 10 5 EGBERN Cc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1[C@@H](C)C1CC1 ZINC000479763777 310883361 /nfs/dbraw/zinc/88/33/61/310883361.db2.gz JGGVQHVXMYBRTJ-LBPRGKRZSA-N 0 0 343.387 3.445 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486863447 311000898 /nfs/dbraw/zinc/00/08/98/311000898.db2.gz GJHUIIIKLFAZHO-NSHDSACASA-N 0 0 349.387 3.486 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)c1ccsc1 ZINC000487205243 311015864 /nfs/dbraw/zinc/01/58/64/311015864.db2.gz VNYCJJKUZYPWMP-ZDUSSCGKSA-N 0 0 334.397 3.045 10 5 EGBERN CC[C@H](NC(=O)c1cn2ccc(C)cc2n1)c1cccc([N+](=O)[O-])c1 ZINC000487839580 311039556 /nfs/dbraw/zinc/03/95/56/311039556.db2.gz PZZNVPBHNRTGAB-HNNXBMFYSA-N 0 0 338.367 3.432 10 5 EGBERN COc1cc(F)cc(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488132773 311052899 /nfs/dbraw/zinc/05/28/99/311052899.db2.gz XJXMLUBCEPYOQW-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488244465 311057739 /nfs/dbraw/zinc/05/77/39/311057739.db2.gz DLBSZYDLHBQYNO-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN COc1ccc(F)cc1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488486809 311068256 /nfs/dbraw/zinc/06/82/56/311068256.db2.gz YMUIVKKKTWPVHO-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000489990143 311128699 /nfs/dbraw/zinc/12/86/99/311128699.db2.gz IBCBKBOUBQTQMP-HIFRSBDPSA-N 0 0 342.399 3.138 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493884289 311443081 /nfs/dbraw/zinc/44/30/81/311443081.db2.gz XNNSLMQSNUFFIZ-MFKMUULPSA-N 0 0 326.418 3.021 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000494299246 311469131 /nfs/dbraw/zinc/46/91/31/311469131.db2.gz FFDNOYFEXGNVHB-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000501140537 311939186 /nfs/dbraw/zinc/93/91/86/311939186.db2.gz RHWDLJCTMRQYME-VHSXEESVSA-N 0 0 346.836 3.223 10 5 EGBERN C[C@@H]1CC(C)(C)c2ccccc2N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000506012084 312040714 /nfs/dbraw/zinc/04/07/14/312040714.db2.gz HPOCBVGJRITICY-CQSZACIVSA-N 0 0 341.411 3.333 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000507568471 312077924 /nfs/dbraw/zinc/07/79/24/312077924.db2.gz UEPVGYJVLVFATR-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)C2)C1 ZINC000508423077 312094132 /nfs/dbraw/zinc/09/41/32/312094132.db2.gz RQWFFFHACUWMFQ-UGSOOPFHSA-N 0 0 341.415 3.407 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000514950772 312256507 /nfs/dbraw/zinc/25/65/07/312256507.db2.gz KFSYETXPWKKDGU-CZUORRHYSA-N 0 0 329.356 3.331 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000514979469 312257794 /nfs/dbraw/zinc/25/77/94/312257794.db2.gz UENGBYQVKYAHFC-CYBMUJFWSA-N 0 0 349.362 3.443 10 5 EGBERN C[C@@H]1C[C@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000515090894 312265051 /nfs/dbraw/zinc/26/50/51/312265051.db2.gz PZXIVZADUVMNOH-NFAWXSAZSA-N 0 0 331.416 3.217 10 5 EGBERN CC(C)[C@]1(C)C[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515327109 312276576 /nfs/dbraw/zinc/27/65/76/312276576.db2.gz CURMYKDTPVWYNP-YJBOKZPZSA-N 0 0 329.400 3.417 10 5 EGBERN CC1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000515446718 312283500 /nfs/dbraw/zinc/28/35/00/312283500.db2.gz HZOGNTPUAKPHHM-UHFFFAOYSA-N 0 0 330.388 3.251 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000519505352 312456007 /nfs/dbraw/zinc/45/60/07/312456007.db2.gz RGQYHMCORUSOCR-ZDUSSCGKSA-N 0 0 345.399 3.035 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@]2(CC=CCC2)C1 ZINC000523696758 312629892 /nfs/dbraw/zinc/62/98/92/312629892.db2.gz SDYPGVKACYSJQS-GOSISDBHSA-N 0 0 344.367 3.286 10 5 EGBERN Cc1ncc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000525142074 312698820 /nfs/dbraw/zinc/69/88/20/312698820.db2.gz JRXBCOXADXXBGM-UHFFFAOYSA-N 0 0 348.790 3.397 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1c1cccc(F)c1 ZINC000530596220 313561436 /nfs/dbraw/zinc/56/14/36/313561436.db2.gz MEQQHRVYYCUCSX-ZBEGNZNMSA-N 0 0 331.347 3.296 10 5 EGBERN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531623849 313691873 /nfs/dbraw/zinc/69/18/73/313691873.db2.gz STZVNFZEYLQNCB-UHFFFAOYSA-N 0 0 340.364 3.289 10 5 EGBERN COC(=O)c1cc(N2CCC(OC(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000531882021 313725694 /nfs/dbraw/zinc/72/56/94/313725694.db2.gz WZJBYAIUNYHNGC-UHFFFAOYSA-N 0 0 336.388 3.084 10 5 EGBERN COC(=O)c1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000532333515 313785619 /nfs/dbraw/zinc/78/56/19/313785619.db2.gz WNIKUSFSUWAXHZ-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](CO)c2cccc(F)c2)ccc2ncccc21 ZINC000535007760 314012502 /nfs/dbraw/zinc/01/25/02/314012502.db2.gz ZRSSTDHHTIAWQQ-MRXNPFEDSA-N 0 0 327.315 3.428 10 5 EGBERN CC[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000535731266 314064293 /nfs/dbraw/zinc/06/42/93/314064293.db2.gz LHEVNSDRZXVXEC-RNCFNFMXSA-N 0 0 329.278 3.257 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1[N+](=O)[O-] ZINC000535818629 314076927 /nfs/dbraw/zinc/07/69/27/314076927.db2.gz ZEPTZRYSFRASPK-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000540532374 314387403 /nfs/dbraw/zinc/38/74/03/314387403.db2.gz UYWRCXSHVOFDPZ-CYBMUJFWSA-N 0 0 347.758 3.287 10 5 EGBERN COC(=O)c1ccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000542864762 314589076 /nfs/dbraw/zinc/58/90/76/314589076.db2.gz UXCUOZYRFUNVTM-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000546167951 314814748 /nfs/dbraw/zinc/81/47/48/314814748.db2.gz ZTAOKGLGDAEJHV-AWEZNQCLSA-N 0 0 348.424 3.208 10 5 EGBERN COc1ccc(CC(=O)N2CC3(CC3)c3ccccc32)cc1[N+](=O)[O-] ZINC000548475849 315014367 /nfs/dbraw/zinc/01/43/67/315014367.db2.gz BIVFOQDOYONPJO-UHFFFAOYSA-N 0 0 338.363 3.224 10 5 EGBERN CCOc1ccc(C(=O)NCC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000548879662 315058484 /nfs/dbraw/zinc/05/84/84/315058484.db2.gz GEWVICYBTDXMKY-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)C(F)(F)F)c1 ZINC000548909517 315062513 /nfs/dbraw/zinc/06/25/13/315062513.db2.gz QHTAQONYCOWRFR-UHFFFAOYSA-N 0 0 348.321 3.377 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC(c2ccccc2)C1 ZINC000549153879 315078666 /nfs/dbraw/zinc/07/86/66/315078666.db2.gz DQVFJTXCSUIOCA-UHFFFAOYSA-N 0 0 339.395 3.317 10 5 EGBERN O=C(c1cc(Cc2ccccc2)[nH]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000550323448 315124674 /nfs/dbraw/zinc/12/46/74/315124674.db2.gz BREMPVRWZYKUJX-UHFFFAOYSA-N 0 0 348.362 3.112 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000551286933 315148259 /nfs/dbraw/zinc/14/82/59/315148259.db2.gz BXWJHDKOGXXZLN-WCQYABFASA-N 0 0 339.189 3.194 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553079302 315243950 /nfs/dbraw/zinc/24/39/50/315243950.db2.gz JBPSWGSCBCRVGA-DZGCQCFKSA-N 0 0 341.367 3.128 10 5 EGBERN COC(=O)c1cc(C)nc(N(C)Cc2cc(C)ccc2F)c1[N+](=O)[O-] ZINC000553230051 315251804 /nfs/dbraw/zinc/25/18/04/315251804.db2.gz ITQQWSKBUZQUBK-UHFFFAOYSA-N 0 0 347.346 3.169 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000556466000 315437954 /nfs/dbraw/zinc/43/79/54/315437954.db2.gz IAPKOIOGTKKUAQ-UHFFFAOYSA-N 0 0 345.403 3.491 10 5 EGBERN CC(C)(C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC000557296179 315505816 /nfs/dbraw/zinc/50/58/16/315505816.db2.gz RPXLWWDTOZEKJD-CJNGLKHVSA-N 0 0 338.354 3.376 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000557689920 315528565 /nfs/dbraw/zinc/52/85/65/315528565.db2.gz FXKYNICMFHTAKX-SFHVURJKSA-N 0 0 344.342 3.071 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000558613351 315583706 /nfs/dbraw/zinc/58/37/06/315583706.db2.gz RKNUEWUPGJPRKH-UHFFFAOYSA-N 0 0 336.363 3.013 10 5 EGBERN CC(C)(C)C(C)(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000561156509 315744822 /nfs/dbraw/zinc/74/48/22/315744822.db2.gz SVFUYODGOQNDCE-UHFFFAOYSA-N 0 0 333.432 3.316 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000562473228 315838796 /nfs/dbraw/zinc/83/87/96/315838796.db2.gz OWRPPTWRLNZKHF-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN CCCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000562628214 315865523 /nfs/dbraw/zinc/86/55/23/315865523.db2.gz WNNOJNPXFKOPPJ-HZPDHXFCSA-N 0 0 335.404 3.190 10 5 EGBERN Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000566160697 316429637 /nfs/dbraw/zinc/42/96/37/316429637.db2.gz OKDOGZJXVZTCOW-YPMHNXCESA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc(N2CCO[C@@]3(CCSC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000567467425 316623030 /nfs/dbraw/zinc/62/30/30/316623030.db2.gz YDHONLTWAOBYFU-KRWDZBQOSA-N 0 0 345.424 3.164 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000571036330 317142207 /nfs/dbraw/zinc/14/22/07/317142207.db2.gz JDLHQZHRCFVTFG-CABCVRRESA-N 0 0 331.416 3.496 10 5 EGBERN COC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCCC1 ZINC000571752199 317242208 /nfs/dbraw/zinc/24/22/08/317242208.db2.gz GGXHEZLSXSKZRX-UHFFFAOYSA-N 0 0 344.371 3.419 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000573006929 317424036 /nfs/dbraw/zinc/42/40/36/317424036.db2.gz SVWDGPWHWMHUTQ-CORIIIEPSA-N 0 0 337.420 3.061 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000574380422 317591609 /nfs/dbraw/zinc/59/16/09/317591609.db2.gz FQKDAYOJABCFFM-ZDUSSCGKSA-N 0 0 331.303 3.199 10 5 EGBERN Cn1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000302051260 456276100 /nfs/dbraw/zinc/27/61/00/456276100.db2.gz OBWWFZKHGQZWAA-UHFFFAOYSA-N 0 0 325.781 3.190 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](CNc2ccccn2)C1 ZINC000171640372 323243790 /nfs/dbraw/zinc/24/37/90/323243790.db2.gz ICIAEJWYFWGYSO-CYBMUJFWSA-N 0 0 330.363 3.063 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171744955 323249158 /nfs/dbraw/zinc/24/91/58/323249158.db2.gz KSXLNNAXLATIMI-KGLIPLIRSA-N 0 0 332.306 3.293 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000172299434 323275299 /nfs/dbraw/zinc/27/52/99/323275299.db2.gz FWYHTXNHYKXSDX-UHFFFAOYSA-N 0 0 348.399 3.280 10 5 EGBERN O=C(c1csc(C(F)(F)F)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000193309649 323835105 /nfs/dbraw/zinc/83/51/05/323835105.db2.gz VGCODFCTQWHJKK-UHFFFAOYSA-N 0 0 343.286 3.273 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000350612286 324107836 /nfs/dbraw/zinc/10/78/36/324107836.db2.gz SJHOKNBFBXXPOV-GXFFZTMASA-N 0 0 335.385 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cccc4nccnc43)n2)s1 ZINC000350840366 324126867 /nfs/dbraw/zinc/12/68/67/324126867.db2.gz USXCJVXTERGYCH-UHFFFAOYSA-N 0 0 325.309 3.317 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2n[nH]c(C3CC3)n2)no1 ZINC000351152086 324182618 /nfs/dbraw/zinc/18/26/18/324182618.db2.gz GARHNWKRPQWVPS-HJWRWDBZSA-N 0 0 338.327 3.201 10 5 EGBERN COC(=O)c1cccc(CSCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000576069042 324538758 /nfs/dbraw/zinc/53/87/58/324538758.db2.gz MTRQAXUHLHUEHW-UHFFFAOYSA-N 0 0 348.380 3.218 10 5 EGBERN C[C@H]1[C@@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000578744968 325012494 /nfs/dbraw/zinc/01/24/94/325012494.db2.gz ZVTKJFXCUZRFSH-JHJVBQTASA-N 0 0 344.415 3.305 10 5 EGBERN C[C@@H](C(=O)N1CCC2(CCOCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000578817208 325021820 /nfs/dbraw/zinc/02/18/20/325021820.db2.gz OHBIKQDHJHLIFV-KGLIPLIRSA-N 0 0 332.400 3.116 10 5 EGBERN CCOCCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000578968391 325043594 /nfs/dbraw/zinc/04/35/94/325043594.db2.gz KSAFYLJKCQRONH-UHFFFAOYSA-N 0 0 349.774 3.327 10 5 EGBERN COc1cccc(N2CC[C@@H](Nc3c(OC)cccc3[N+](=O)[O-])C2)c1 ZINC000579972358 325185794 /nfs/dbraw/zinc/18/57/94/325185794.db2.gz VDMKSVMUAPNUGS-CYBMUJFWSA-N 0 0 343.383 3.303 10 5 EGBERN Cn1c(=O)c(COc2ccc([N+](=O)[O-])cc2F)cc2ccccc21 ZINC000580272578 325225054 /nfs/dbraw/zinc/22/50/54/325225054.db2.gz RTZHYPLCNORPSC-UHFFFAOYSA-N 0 0 328.299 3.165 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(O)c1 ZINC000581163163 325336269 /nfs/dbraw/zinc/33/62/69/325336269.db2.gz COGRVQDIAIPTOW-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN CN(C)C(=O)c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000581247553 325345977 /nfs/dbraw/zinc/34/59/77/325345977.db2.gz FKGKLQKLXVCYKD-UHFFFAOYSA-N 0 0 341.367 3.363 10 5 EGBERN CCc1occc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581392706 325357351 /nfs/dbraw/zinc/35/73/51/325357351.db2.gz KTDUXMFEHVYDQB-UHFFFAOYSA-N 0 0 327.340 3.204 10 5 EGBERN C[C@@H](C(=O)NCCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000581522949 325368153 /nfs/dbraw/zinc/36/81/53/325368153.db2.gz RCSANBFEVYRDAP-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC2(CC2)C1 ZINC000582897224 325478797 /nfs/dbraw/zinc/47/87/97/325478797.db2.gz FVSBGFFNNNZFMP-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccccc2[N+](=O)[O-])O1 ZINC000000084874 452502341 /nfs/dbraw/zinc/50/23/41/452502341.db2.gz FACUDZOYEOFZNK-YVEFUNNKSA-N 0 0 328.324 3.086 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(Cl)c1C ZINC000000215078 452539737 /nfs/dbraw/zinc/53/97/37/452539737.db2.gz VGHMNTSZVDNDLL-UHFFFAOYSA-N 0 0 336.779 3.480 10 5 EGBERN CC[C@H](NC(=O)NOCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000158297845 455289384 /nfs/dbraw/zinc/28/93/84/455289384.db2.gz YKHJXAAPFPKVQB-NSHDSACASA-N 0 0 335.282 3.229 10 5 EGBERN CCOc1ccc(NC(=O)CN2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245451054 455304854 /nfs/dbraw/zinc/30/48/54/455304854.db2.gz PEDYIMAJLSEYIO-QWHCGFSZSA-N 0 0 335.404 3.052 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000173574724 455308219 /nfs/dbraw/zinc/30/82/19/455308219.db2.gz ZPERNLGKZCEXJC-OAHLLOKOSA-N 0 0 327.384 3.392 10 5 EGBERN CC1(C)CCC[C@]2(C1)NC(=O)N(CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000600697819 460572483 /nfs/dbraw/zinc/57/24/83/460572483.db2.gz VOWKKGBECYPCKB-GOSISDBHSA-N 0 0 345.399 3.028 10 5 EGBERN Cc1cc(O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007419250 453073355 /nfs/dbraw/zinc/07/33/55/453073355.db2.gz OMNXNODVVOQKQM-KRWDZBQOSA-N 0 0 326.352 3.302 10 5 EGBERN CNc1ccc(C(=O)OCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000008190470 453174834 /nfs/dbraw/zinc/17/48/34/453174834.db2.gz IFFLLIREDTYCKH-UHFFFAOYSA-N 0 0 327.296 3.135 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010977648 453307215 /nfs/dbraw/zinc/30/72/15/453307215.db2.gz VVFSFZUDLZBTIU-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600770598 460595945 /nfs/dbraw/zinc/59/59/45/460595945.db2.gz ALTTXRFCCGVLDJ-LBPRGKRZSA-N 0 0 332.381 3.300 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000014575551 453539909 /nfs/dbraw/zinc/53/99/09/453539909.db2.gz XOOPCTNXWIFOGY-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000015132843 453558330 /nfs/dbraw/zinc/55/83/30/453558330.db2.gz RKLCQJCLRRRUIV-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600805240 460611363 /nfs/dbraw/zinc/61/13/63/460611363.db2.gz PKHUZRGATPUJHH-OOPCZODUSA-N 0 0 346.383 3.200 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600808534 460612567 /nfs/dbraw/zinc/61/25/67/460612567.db2.gz LXCRIAKSBFWYSU-VQTKUKTRSA-N 0 0 348.399 3.187 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000017957433 453640239 /nfs/dbraw/zinc/64/02/39/453640239.db2.gz BJZFNPPKUJOSQP-UHFFFAOYSA-N 0 0 329.356 3.343 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000020668942 453667233 /nfs/dbraw/zinc/66/72/33/453667233.db2.gz FZNJUGRPSPSGMN-CQSZACIVSA-N 0 0 341.367 3.493 10 5 EGBERN COc1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000024235649 453728974 /nfs/dbraw/zinc/72/89/74/453728974.db2.gz NFKWFUMDQJFSIA-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2cccs2)cs1 ZINC000024578511 453738337 /nfs/dbraw/zinc/73/83/37/453738337.db2.gz QCAYGVIKVBTESD-UHFFFAOYSA-N 0 0 349.397 3.005 10 5 EGBERN COCCNc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000025734209 453784626 /nfs/dbraw/zinc/78/46/26/453784626.db2.gz HBAHMFINWFQQDN-VIFPVBQESA-N 0 0 340.430 3.358 10 5 EGBERN Cc1nc2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000032420314 453871730 /nfs/dbraw/zinc/87/17/30/453871730.db2.gz DDJUFURDUPINRZ-UHFFFAOYSA-N 0 0 344.396 3.053 10 5 EGBERN Cc1sc(C(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000032420145 453872105 /nfs/dbraw/zinc/87/21/05/453872105.db2.gz DPRITEAEVIZNJR-UHFFFAOYSA-N 0 0 345.380 3.344 10 5 EGBERN COC(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000066812626 453876601 /nfs/dbraw/zinc/87/66/01/453876601.db2.gz QWQLQKGCRLOZPE-VIFPVBQESA-N 0 0 332.278 3.003 10 5 EGBERN CC(C)[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000032671919 453882877 /nfs/dbraw/zinc/88/28/77/453882877.db2.gz LRDCMCSCUNSXQD-MRXNPFEDSA-N 0 0 342.351 3.415 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000053555963 453887732 /nfs/dbraw/zinc/88/77/32/453887732.db2.gz SLKPMWQHIQKBPO-GHMZBOCLSA-N 0 0 345.321 3.487 10 5 EGBERN CCS(=O)(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000037562852 453937132 /nfs/dbraw/zinc/93/71/32/453937132.db2.gz ROWJCPQCDJEMOC-UHFFFAOYSA-N 0 0 326.399 3.062 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183616 453976869 /nfs/dbraw/zinc/97/68/69/453976869.db2.gz IIVXOHBXDOPXOM-CQSZACIVSA-N 0 0 349.394 3.430 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N1CCC(COc2ccccn2)CC1 ZINC000085689548 454037405 /nfs/dbraw/zinc/03/74/05/454037405.db2.gz JZPKQDTWDDUYRH-UHFFFAOYSA-N 0 0 331.347 3.424 10 5 EGBERN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000087401275 454082514 /nfs/dbraw/zinc/08/25/14/454082514.db2.gz NZMCTSFGRLDOSH-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000077294763 454087194 /nfs/dbraw/zinc/08/71/94/454087194.db2.gz KDRLDDVJWNTVCB-MRXNPFEDSA-N 0 0 326.352 3.384 10 5 EGBERN Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000044449173 454102362 /nfs/dbraw/zinc/10/23/62/454102362.db2.gz MVQPGPQAWLJFEG-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000044653362 454112136 /nfs/dbraw/zinc/11/21/36/454112136.db2.gz CTMDPNMOLVNDMN-MRVPVSSYSA-N 0 0 346.293 3.240 10 5 EGBERN COC(=O)c1sccc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606817 454114788 /nfs/dbraw/zinc/11/47/88/454114788.db2.gz MGLGKNDRERWJDG-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000088716851 454117150 /nfs/dbraw/zinc/11/71/50/454117150.db2.gz CLWBAUXESSIBNQ-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H](CO)C1 ZINC000057366988 454121811 /nfs/dbraw/zinc/12/18/11/454121811.db2.gz VAUHPIKROYLPFH-MRVPVSSYSA-N 0 0 338.713 3.476 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)o1 ZINC000057465324 454130794 /nfs/dbraw/zinc/13/07/94/454130794.db2.gz DRFHMOCEIYGYAL-SNVBAGLBSA-N 0 0 333.300 3.204 10 5 EGBERN CCc1onc(C)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000089413278 454145584 /nfs/dbraw/zinc/14/55/84/454145584.db2.gz JTCIHTVXNMPKRE-UHFFFAOYSA-N 0 0 330.344 3.044 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000045241361 454147246 /nfs/dbraw/zinc/14/72/46/454147246.db2.gz PQTPCSYLVFAEDV-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN COc1cc(N2CCO[C@@H](c3cccc(O)c3)C2)c([N+](=O)[O-])cc1F ZINC000089601764 454166312 /nfs/dbraw/zinc/16/63/12/454166312.db2.gz WVDXEOSOYCXDDX-QGZVFWFLSA-N 0 0 348.330 3.026 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](CC)c2nccs2)c1[N+](=O)[O-] ZINC000077991527 454175455 /nfs/dbraw/zinc/17/54/55/454175455.db2.gz NPNISZRUQRORFB-JTQLQIEISA-N 0 0 336.373 3.186 10 5 EGBERN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149520 454201897 /nfs/dbraw/zinc/20/18/97/454201897.db2.gz DXZUXHYSJIMODS-HUUCEWRRSA-N 0 0 326.327 3.427 10 5 EGBERN CC(C)N(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000078182669 454207817 /nfs/dbraw/zinc/20/78/17/454207817.db2.gz LTOYHBOECSAJPL-UHFFFAOYSA-N 0 0 338.429 3.103 10 5 EGBERN CCN(CC)C(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000058544481 454212548 /nfs/dbraw/zinc/21/25/48/454212548.db2.gz WTTWKOPTZFOYQL-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN Cc1ccnc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000078369513 454242706 /nfs/dbraw/zinc/24/27/06/454242706.db2.gz ZGPBXYXXJRTBJR-DOMZBBRYSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000120032088 454250616 /nfs/dbraw/zinc/25/06/16/454250616.db2.gz WMNYMQXDQJBQOG-CQSZACIVSA-N 0 0 343.387 3.105 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2ccsc2)c1 ZINC000046576663 454263254 /nfs/dbraw/zinc/26/32/54/454263254.db2.gz CXANVBMATDOYLA-UHFFFAOYSA-N 0 0 334.397 3.093 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)Sc1ccccc1 ZINC000078505275 454265303 /nfs/dbraw/zinc/26/53/03/454265303.db2.gz MJJPCJJLUOUCEI-LLVKDONJSA-N 0 0 331.397 3.286 10 5 EGBERN Cc1ccc(OCc2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000131607918 454268497 /nfs/dbraw/zinc/26/84/97/454268497.db2.gz FRIGYBNNHSXOEL-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN CCn1c(C)cc(C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000078519816 454268925 /nfs/dbraw/zinc/26/89/25/454268925.db2.gz MHRULBZIEOGTFW-UHFFFAOYSA-N 0 0 329.400 3.348 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000072545361 454307234 /nfs/dbraw/zinc/30/72/34/454307234.db2.gz WZPZPKXGLJTCBA-STQMWFEESA-N 0 0 342.399 3.256 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000120646877 454330768 /nfs/dbraw/zinc/33/07/68/454330768.db2.gz RCCWMIKCNBFZQU-AWEZNQCLSA-N 0 0 336.344 3.009 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090688078 454336513 /nfs/dbraw/zinc/33/65/13/454336513.db2.gz MFUSGYJDPHVYHQ-PVAVHDDUSA-N 0 0 347.415 3.256 10 5 EGBERN COc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191094751 455441394 /nfs/dbraw/zinc/44/13/94/455441394.db2.gz OKBPFBUBUJDKMB-LLVKDONJSA-N 0 0 344.371 3.332 10 5 EGBERN Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1[N+](=O)[O-] ZINC000047207363 454340390 /nfs/dbraw/zinc/34/03/90/454340390.db2.gz HNYWUKTUYSIHIQ-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cn1 ZINC000097162506 454419541 /nfs/dbraw/zinc/41/95/41/454419541.db2.gz RPWLDNZUCPYDQV-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN COc1cc(NCc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1F ZINC000091628363 454451918 /nfs/dbraw/zinc/45/19/18/454451918.db2.gz ZKCQRJAKWOBAEU-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000121611926 454457890 /nfs/dbraw/zinc/45/78/90/454457890.db2.gz GIBBBRYFTCWGHK-UHFFFAOYSA-N 0 0 344.342 3.331 10 5 EGBERN CC[C@H](NC(=O)N1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000134143624 454508425 /nfs/dbraw/zinc/50/84/25/454508425.db2.gz HMSHVEPPVSLZDQ-HNNXBMFYSA-N 0 0 333.388 3.010 10 5 EGBERN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000048778444 454515112 /nfs/dbraw/zinc/51/51/12/454515112.db2.gz ZENIZXGGKFHLGW-SNVBAGLBSA-N 0 0 347.758 3.064 10 5 EGBERN CSc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccn1 ZINC000103375100 454551118 /nfs/dbraw/zinc/55/11/18/454551118.db2.gz ZTNICYDHYXIYLQ-JTQLQIEISA-N 0 0 329.381 3.303 10 5 EGBERN COCc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000122911469 454581074 /nfs/dbraw/zinc/58/10/74/454581074.db2.gz WIDZQOWNPRMHDY-VIFPVBQESA-N 0 0 347.396 3.098 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000050423303 454586136 /nfs/dbraw/zinc/58/61/36/454586136.db2.gz REGABDHGUQIGGE-UHFFFAOYSA-N 0 0 328.368 3.322 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000050420570 454586603 /nfs/dbraw/zinc/58/66/03/454586603.db2.gz IHYMQTZILCEYRB-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN COc1ccc([C@H](O)CNc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000080645377 454611400 /nfs/dbraw/zinc/61/14/00/454611400.db2.gz WRNICYYSGOZQSM-OAHLLOKOSA-N 0 0 332.356 3.066 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814932 454627885 /nfs/dbraw/zinc/62/78/85/454627885.db2.gz XHZFDBQKAIKXER-DGKWVBSXSA-N 0 0 330.384 3.011 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000074746465 454629244 /nfs/dbraw/zinc/62/92/44/454629244.db2.gz SFIMSXIYXIXDDR-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1C(=O)OC ZINC000135154073 454640174 /nfs/dbraw/zinc/64/01/74/454640174.db2.gz BPSCDXIYHHGEEN-UHFFFAOYSA-N 0 0 342.351 3.357 10 5 EGBERN COC(=O)/C=C/c1ccc(Nc2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000065946741 454643190 /nfs/dbraw/zinc/64/31/90/454643190.db2.gz RSLSJSYZPVUZRC-SOFGYWHQSA-N 0 0 344.371 3.476 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135206682 454646367 /nfs/dbraw/zinc/64/63/67/454646367.db2.gz XGXBBLPOAUZOFP-CQSZACIVSA-N 0 0 343.358 3.142 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000093061316 454675459 /nfs/dbraw/zinc/67/54/59/454675459.db2.gz AKMQATIKEFQULB-INIZCTEOSA-N 0 0 329.331 3.245 10 5 EGBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCC[C@H]12 ZINC000066327783 454685110 /nfs/dbraw/zinc/68/51/10/454685110.db2.gz PIBCCRUZXHEBTO-UTUOFQBUSA-N 0 0 344.458 3.246 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(Cc3ccc4ccccc4n3)CC2)c1 ZINC000123941247 454689123 /nfs/dbraw/zinc/68/91/23/454689123.db2.gz PJTCDRRJRUCFIX-UHFFFAOYSA-N 0 0 348.406 3.465 10 5 EGBERN CCOc1cccc(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000136128828 454722747 /nfs/dbraw/zinc/72/27/47/454722747.db2.gz AIVREQQMOOGPBL-UHFFFAOYSA-N 0 0 343.383 3.035 10 5 EGBERN CCc1nc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)co1 ZINC000161849888 454729224 /nfs/dbraw/zinc/72/92/24/454729224.db2.gz GBBODDWWYAEBGE-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000161882259 454731956 /nfs/dbraw/zinc/73/19/56/454731956.db2.gz BKVQUGBTPBSLAE-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3sccc32)s1 ZINC000161977480 454742308 /nfs/dbraw/zinc/74/23/08/454742308.db2.gz METQUNFFISDVJK-SECBINFHSA-N 0 0 344.439 3.074 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000162075503 454749879 /nfs/dbraw/zinc/74/98/79/454749879.db2.gz IJELLDRJESICBC-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN CCCn1nccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000153115458 454762180 /nfs/dbraw/zinc/76/21/80/454762180.db2.gz GTNZRWYWCBSYIZ-UHFFFAOYSA-N 0 0 345.403 3.346 10 5 EGBERN CCc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000162328283 454767667 /nfs/dbraw/zinc/76/76/67/454767667.db2.gz GKRQCDXCESHUMC-UHFFFAOYSA-N 0 0 346.427 3.436 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-n3cccn3)cc1)C2 ZINC000153201842 454770100 /nfs/dbraw/zinc/77/01/00/454770100.db2.gz SRYIXTFDFZXLJM-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cc(-c3ccco3)on1)C2 ZINC000153250765 454774946 /nfs/dbraw/zinc/77/49/46/454774946.db2.gz XVADMNKPZSZZOA-UHFFFAOYSA-N 0 0 325.324 3.401 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176766030 454780311 /nfs/dbraw/zinc/78/03/11/454780311.db2.gz MHISIMPCJDYDNL-HNNXBMFYSA-N 0 0 343.387 3.105 10 5 EGBERN Cc1c(Br)c(NCC[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165732712 454904184 /nfs/dbraw/zinc/90/41/84/454904184.db2.gz KEPCHYUIWROWAG-SECBINFHSA-N 0 0 330.182 3.042 10 5 EGBERN CC[C@@H](NC(=O)COc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177793690 454905700 /nfs/dbraw/zinc/90/57/00/454905700.db2.gz QBIOMSHDCMCKHS-OAHLLOKOSA-N 0 0 344.367 3.250 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167842009 454923564 /nfs/dbraw/zinc/92/35/64/454923564.db2.gz UMJQIFIZIWMEGJ-CABCVRRESA-N 0 0 329.404 3.325 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178016791 454927467 /nfs/dbraw/zinc/92/74/67/454927467.db2.gz MBOSFBPLILQSMH-QGZVFWFLSA-N 0 0 332.331 3.013 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000191504678 455492487 /nfs/dbraw/zinc/49/24/87/455492487.db2.gz JZKIXJFIPUSIIW-LBPRGKRZSA-N 0 0 346.387 3.043 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2oc3ccccc3c2C)n1 ZINC000191548252 455496004 /nfs/dbraw/zinc/49/60/04/455496004.db2.gz WANRSXAJYJYPSR-LLVKDONJSA-N 0 0 342.355 3.357 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000170730118 454964957 /nfs/dbraw/zinc/96/49/57/454964957.db2.gz BQQFXXPUJCCKGK-GFCCVEGCSA-N 0 0 330.340 3.320 10 5 EGBERN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000151337225 454970153 /nfs/dbraw/zinc/97/01/53/454970153.db2.gz ZALGULNZVGNSJM-GOSISDBHSA-N 0 0 340.379 3.425 10 5 EGBERN CC[C@@H](NC(=O)NCC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151514936 454995678 /nfs/dbraw/zinc/99/56/78/454995678.db2.gz ROLOIFQQRCJBBU-OAHLLOKOSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151529315 454997108 /nfs/dbraw/zinc/99/71/08/454997108.db2.gz VZERRVODNSYCOI-SUMWQHHRSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000115259297 455007979 /nfs/dbraw/zinc/00/79/79/455007979.db2.gz URKLUWUMUUPZAM-QFIPXVFZSA-N 0 0 338.410 3.096 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151748691 455025287 /nfs/dbraw/zinc/02/52/87/455025287.db2.gz HRNCYSPRZYHWGK-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1ccccc1[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179955054 455105589 /nfs/dbraw/zinc/10/55/89/455105589.db2.gz YMNBKBSVUWUZFU-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN COc1cccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000152419178 455116372 /nfs/dbraw/zinc/11/63/72/455116372.db2.gz KGNLXSGDDOTHHB-UHFFFAOYSA-N 0 0 343.383 3.014 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000119016306 455120837 /nfs/dbraw/zinc/12/08/37/455120837.db2.gz PBUCUSYERVVLSM-UHFFFAOYSA-N 0 0 348.790 3.490 10 5 EGBERN CC(C)n1ccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000172096795 455120861 /nfs/dbraw/zinc/12/08/61/455120861.db2.gz PNRKSXDKEWTUFY-LBPRGKRZSA-N 0 0 337.401 3.048 10 5 EGBERN COCc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000130138869 455144123 /nfs/dbraw/zinc/14/41/23/455144123.db2.gz YXVPEPDHESYEBT-UHFFFAOYSA-N 0 0 339.351 3.153 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172450304 455154762 /nfs/dbraw/zinc/15/47/62/455154762.db2.gz ZDFBHLGSFLZLLM-VIFPVBQESA-N 0 0 329.194 3.379 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC2(CC2)c2ccccc21 ZINC000172576956 455162459 /nfs/dbraw/zinc/16/24/59/455162459.db2.gz KJOQKDLWLGUAPV-UHFFFAOYSA-N 0 0 334.335 3.163 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000172687496 455172434 /nfs/dbraw/zinc/17/24/34/455172434.db2.gz FHQOQXMYMILHFF-GFCCVEGCSA-N 0 0 342.351 3.165 10 5 EGBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000157416856 455192488 /nfs/dbraw/zinc/19/24/88/455192488.db2.gz GGZGUUOVPXKZMV-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182928492 455193099 /nfs/dbraw/zinc/19/30/99/455193099.db2.gz NIAFBULVCLZCJP-SJKOYZFVSA-N 0 0 340.395 3.141 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000157507682 455201825 /nfs/dbraw/zinc/20/18/25/455201825.db2.gz MDZPBIPAIRTGON-OAHLLOKOSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1cnn(-c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000158569312 455314362 /nfs/dbraw/zinc/31/43/62/455314362.db2.gz LBWBJPZBPIOOBX-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1C ZINC000183631722 455314387 /nfs/dbraw/zinc/31/43/87/455314387.db2.gz DFTRUFUNNNZPFK-UHFFFAOYSA-N 0 0 344.371 3.279 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000158606188 455315675 /nfs/dbraw/zinc/31/56/75/455315675.db2.gz PLKHEPRSGCJWBF-CQSZACIVSA-N 0 0 329.356 3.270 10 5 EGBERN Cc1ccc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCO2)o1 ZINC000158633531 455317786 /nfs/dbraw/zinc/31/77/86/455317786.db2.gz MPOSRCMFYCTQJF-MRXNPFEDSA-N 0 0 343.339 3.211 10 5 EGBERN C[C@](O)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 ZINC000190465872 455324717 /nfs/dbraw/zinc/32/47/17/455324717.db2.gz JUJLTSGJOZBLCX-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245687729 455356123 /nfs/dbraw/zinc/35/61/23/455356123.db2.gz LBWWIBCCMRDATL-VXGBXAGGSA-N 0 0 331.338 3.224 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181671924 455370554 /nfs/dbraw/zinc/37/05/54/455370554.db2.gz AJEFOMYRJJNEKY-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184521449 455395605 /nfs/dbraw/zinc/39/56/05/455395605.db2.gz WIMLDZSDLXKXOY-CQSZACIVSA-N 0 0 348.424 3.126 10 5 EGBERN COc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000174533248 455400958 /nfs/dbraw/zinc/40/09/58/455400958.db2.gz QJUGTBAHHUOFIO-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000174536157 455401120 /nfs/dbraw/zinc/40/11/20/455401120.db2.gz AOHGDLVRAUCCLB-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3nc(C)cs3)CCC2)c1 ZINC000266678616 455435390 /nfs/dbraw/zinc/43/53/90/455435390.db2.gz RITNAPQEQOWWTN-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cn1)N[C@H]1CCCc2ccccc21 ZINC000160325928 455448456 /nfs/dbraw/zinc/44/84/56/455448456.db2.gz XCCOCBYSQHYDAB-HNNXBMFYSA-N 0 0 343.408 3.276 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601004063 460672824 /nfs/dbraw/zinc/67/28/24/460672824.db2.gz WNLQZTLSTZYSEI-HNNXBMFYSA-N 0 0 336.391 3.473 10 5 EGBERN COCCC1(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000184933180 455474506 /nfs/dbraw/zinc/47/45/06/455474506.db2.gz HTMOEKQNJYWMOQ-WYMLVPIESA-N 0 0 332.400 3.321 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000191577490 455498608 /nfs/dbraw/zinc/49/86/08/455498608.db2.gz OUUFLFCSIXOUKO-CYBMUJFWSA-N 0 0 344.415 3.297 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000191828356 455523889 /nfs/dbraw/zinc/52/38/89/455523889.db2.gz COKOCXALFNSBQL-SMDDNHRTSA-N 0 0 346.362 3.174 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000161404151 455566936 /nfs/dbraw/zinc/56/69/36/455566936.db2.gz NNKRJKDJVWWKMV-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1SCCCCc1ccccc1 ZINC000185843875 455633828 /nfs/dbraw/zinc/63/38/28/455633828.db2.gz SHVLIUVKWPNBRL-UHFFFAOYSA-N 0 0 331.397 3.204 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN(C2CC2)CC1 ZINC000277708402 455640850 /nfs/dbraw/zinc/64/08/50/455640850.db2.gz LQWHKKSDCKJBPX-UHFFFAOYSA-N 0 0 347.418 3.014 10 5 EGBERN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC000271449997 455641522 /nfs/dbraw/zinc/64/15/22/455641522.db2.gz VLTCPLZJJSLTFP-AWEZNQCLSA-N 0 0 330.388 3.332 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ncn(C3CCCCC3)n2)c1F ZINC000284232378 455655958 /nfs/dbraw/zinc/65/59/58/455655958.db2.gz OOKBIICKFRDHQL-UHFFFAOYSA-N 0 0 347.350 3.391 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000277858560 455689101 /nfs/dbraw/zinc/68/91/01/455689101.db2.gz AACVKECUUBAQRW-CQSZACIVSA-N 0 0 326.352 3.384 10 5 EGBERN CC[C@H](NC(=O)NCC(C)(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000186120942 455698227 /nfs/dbraw/zinc/69/82/27/455698227.db2.gz VBXPWBKPIOXBBW-HNNXBMFYSA-N 0 0 337.420 3.408 10 5 EGBERN CC(C)(NC(=O)NCCCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000292667335 455727246 /nfs/dbraw/zinc/72/72/46/455727246.db2.gz RAMLGGKUEPYLHI-UHFFFAOYSA-N 0 0 342.399 3.157 10 5 EGBERN COc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193509922 455762350 /nfs/dbraw/zinc/76/23/50/455762350.db2.gz HNNZFQAANZCTBM-UHFFFAOYSA-N 0 0 336.344 3.473 10 5 EGBERN C[C@H](C[C@H](O)c1cccs1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278160830 455773581 /nfs/dbraw/zinc/77/35/81/455773581.db2.gz AIMWIPHTYDYXJQ-RNCFNFMXSA-N 0 0 332.385 3.457 10 5 EGBERN C[C@H](O)C[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278279142 455805355 /nfs/dbraw/zinc/80/53/55/455805355.db2.gz YXJMSECRENCRHZ-STQMWFEESA-N 0 0 338.407 3.230 10 5 EGBERN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194178839 455812088 /nfs/dbraw/zinc/81/20/88/455812088.db2.gz JPUZUWMULSTALG-QGZVFWFLSA-N 0 0 328.368 3.411 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194490013 455849982 /nfs/dbraw/zinc/84/99/82/455849982.db2.gz TWBSTGTZVJVDPV-LLVKDONJSA-N 0 0 331.294 3.079 10 5 EGBERN COc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1C ZINC000194628870 455865729 /nfs/dbraw/zinc/86/57/29/455865729.db2.gz CLBVCIYEDJCHRW-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN Cc1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1C1CC1 ZINC000194696807 455874840 /nfs/dbraw/zinc/87/48/40/455874840.db2.gz VSVXZOOVKYFQRJ-UHFFFAOYSA-N 0 0 342.277 3.427 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000187341079 455897148 /nfs/dbraw/zinc/89/71/48/455897148.db2.gz UMSCKGIOGACCEN-GFCCVEGCSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272334871 455918075 /nfs/dbraw/zinc/91/80/75/455918075.db2.gz LGGSQEPLEDIMGG-HIFRSBDPSA-N 0 0 335.404 3.164 10 5 EGBERN CC1(C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280366703 455955907 /nfs/dbraw/zinc/95/59/07/455955907.db2.gz UVVIWZQTGSIPKY-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286077034 455972708 /nfs/dbraw/zinc/97/27/08/455972708.db2.gz AAWGRUSEHWAQKF-OLZOCXBDSA-N 0 0 345.399 3.232 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(C)o2)cc1OC ZINC000198342764 456004578 /nfs/dbraw/zinc/00/45/78/456004578.db2.gz YSUORUMHMIDRCQ-NSHDSACASA-N 0 0 348.355 3.395 10 5 EGBERN CSc1cccc(C(=O)NC[C@@](C)(O)CCC(C)C)c1[N+](=O)[O-] ZINC000188176684 456014218 /nfs/dbraw/zinc/01/42/18/456014218.db2.gz CHNCZYUIJHUEQX-INIZCTEOSA-N 0 0 340.445 3.234 10 5 EGBERN C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000272636975 456022278 /nfs/dbraw/zinc/02/22/78/456022278.db2.gz YPSOXCAXIBBVIA-MRVPVSSYSA-N 0 0 343.261 3.265 10 5 EGBERN CCn1cc([C@@H](C)NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296802729 456041828 /nfs/dbraw/zinc/04/18/28/456041828.db2.gz CFDKDRBPKDFUKW-CNELAYHGSA-N 0 0 328.372 3.092 10 5 EGBERN CCC(=O)c1ccc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000280816760 456058901 /nfs/dbraw/zinc/05/89/01/456058901.db2.gz XPKHNXHSPCPDRP-ZDUSSCGKSA-N 0 0 348.399 3.356 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC(CN2CCc3ccccc32)CC1 ZINC000301262092 456074346 /nfs/dbraw/zinc/07/43/46/456074346.db2.gz OVLACFLBNPJFIF-UHFFFAOYSA-N 0 0 338.411 3.269 10 5 EGBERN CS(=O)(=O)c1ccccc1Sc1ccc(F)cc1[N+](=O)[O-] ZINC000301307288 456087114 /nfs/dbraw/zinc/08/71/14/456087114.db2.gz ZRHUKRLYXBUCPX-UHFFFAOYSA-N 0 0 327.358 3.289 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)c1ccc(C)cc1 ZINC000301331167 456092710 /nfs/dbraw/zinc/09/27/10/456092710.db2.gz AIXOQILAPVWJGJ-ZDUSSCGKSA-N 0 0 327.384 3.478 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccn2)CC1 ZINC000301378886 456103134 /nfs/dbraw/zinc/10/31/34/456103134.db2.gz ZCHCOZQTZZHKRZ-UHFFFAOYSA-N 0 0 342.399 3.217 10 5 EGBERN COc1ccc(-n2cc(CNc3ccc([N+](=O)[O-])c(C)c3)nn2)cc1 ZINC000301570276 456149084 /nfs/dbraw/zinc/14/90/84/456149084.db2.gz NVDWZXWKNHKNHY-UHFFFAOYSA-N 0 0 339.355 3.105 10 5 EGBERN COC(=O)c1cc(NCCc2ccc(C)nc2)cc(C)c1[N+](=O)[O-] ZINC000301630924 456169407 /nfs/dbraw/zinc/16/94/07/456169407.db2.gz BMSDNHOCDVXUCN-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN Cc1cccc(C(=O)OCc2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000281254098 456180001 /nfs/dbraw/zinc/18/00/01/456180001.db2.gz QZYSLIARISOSKA-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccccc3Cl)cc2N1 ZINC000301677468 456183569 /nfs/dbraw/zinc/18/35/69/456183569.db2.gz IFDHJQBKWKYGHD-UHFFFAOYSA-N 0 0 347.758 3.234 10 5 EGBERN CCOCc1nc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000290072056 456231469 /nfs/dbraw/zinc/23/14/69/456231469.db2.gz GFENYUKBKNMCCI-NHYWBVRUSA-N 0 0 346.387 3.243 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H](c3ccccc3)c3ccccn3)nn21 ZINC000301869603 456237321 /nfs/dbraw/zinc/23/73/21/456237321.db2.gz CKVIDMVJUGYUEZ-GOSISDBHSA-N 0 0 346.350 3.234 10 5 EGBERN C[C@H](NC(=O)c1snnc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000189168266 456245309 /nfs/dbraw/zinc/24/53/09/456245309.db2.gz AUHKPIAJUHUJTD-VIFPVBQESA-N 0 0 334.401 3.235 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000189265342 456267467 /nfs/dbraw/zinc/26/74/67/456267467.db2.gz FHPOKEKWGFNMGF-NSHDSACASA-N 0 0 336.344 3.357 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]3c3ccc(Cl)cc3)nn21 ZINC000302012260 456268412 /nfs/dbraw/zinc/26/84/12/456268412.db2.gz WWDSFBDEUKXAKI-NWDGAFQWSA-N 0 0 329.747 3.259 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000302037236 456272825 /nfs/dbraw/zinc/27/28/25/456272825.db2.gz MKGCFYDNHVLQMZ-HNNXBMFYSA-N 0 0 348.786 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000302077005 456280652 /nfs/dbraw/zinc/28/06/52/456280652.db2.gz YPAJCKYCCSFUPO-AWEZNQCLSA-N 0 0 345.374 3.307 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000302112498 456290832 /nfs/dbraw/zinc/29/08/32/456290832.db2.gz BEHYMMXBXRZESP-OAHLLOKOSA-N 0 0 339.395 3.257 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000302176211 456307755 /nfs/dbraw/zinc/30/77/55/456307755.db2.gz MZAGNUFNBXTIFU-ZDUSSCGKSA-N 0 0 334.372 3.285 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)c2ccncc2)c1 ZINC000302182640 456309653 /nfs/dbraw/zinc/30/96/53/456309653.db2.gz OGWZXHBPVXKHKS-UHFFFAOYSA-N 0 0 329.356 3.166 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930062 456320064 /nfs/dbraw/zinc/32/00/64/456320064.db2.gz DGIHMUQQGRCLSE-LRDDRELGSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000275819217 456323667 /nfs/dbraw/zinc/32/36/67/456323667.db2.gz PREAGCRBXGTQJP-VXGBXAGGSA-N 0 0 340.807 3.492 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(CCCn2ccnc2)CC1 ZINC000601142367 460728689 /nfs/dbraw/zinc/72/86/89/460728689.db2.gz ZECHUTDKXGRRBU-UHFFFAOYSA-N 0 0 333.367 3.022 10 5 EGBERN C[C@@H](O)C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000290518438 456351309 /nfs/dbraw/zinc/35/13/09/456351309.db2.gz CCHLSCAGXFOPIO-OCCSQVGLSA-N 0 0 340.383 3.438 10 5 EGBERN C[C@H]1Cc2ccccc2CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601143620 460729578 /nfs/dbraw/zinc/72/95/78/460729578.db2.gz HKSINDNIMAJSIE-VIFPVBQESA-N 0 0 340.305 3.298 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@]3(CO)C[C@H]3c3ccccc3)nc2c1 ZINC000290543352 456359146 /nfs/dbraw/zinc/35/91/46/456359146.db2.gz ARZKDGQJGXZYNN-KBXCAEBGSA-N 0 0 338.367 3.049 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCOc2ccccc2Cl)cc1 ZINC000347773144 456360209 /nfs/dbraw/zinc/36/02/09/456360209.db2.gz GHYMEIUYNUKVEG-UHFFFAOYSA-N 0 0 341.772 3.101 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343039534 456366903 /nfs/dbraw/zinc/36/69/03/456366903.db2.gz OUQFXUBIMBUSOR-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])no1 ZINC000290581754 456373318 /nfs/dbraw/zinc/37/33/18/456373318.db2.gz CBGMYPLFZIZCHC-SNVBAGLBSA-N 0 0 348.359 3.280 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000298162862 456378915 /nfs/dbraw/zinc/37/89/15/456378915.db2.gz DQZJHMGWSXZKGP-UKRRQHHQSA-N 0 0 342.399 3.323 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC000343111955 456413403 /nfs/dbraw/zinc/41/34/03/456413403.db2.gz UMDDEZCYBCXYNU-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN COc1cccc(NCc2ccnc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000343146573 456434078 /nfs/dbraw/zinc/43/40/78/456434078.db2.gz GJLODELHWPRJFZ-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000348105653 456485781 /nfs/dbraw/zinc/48/57/81/456485781.db2.gz LZJFSOGUQSFJDG-UHFFFAOYSA-N 0 0 344.342 3.056 10 5 EGBERN CCOC(=O)[C@H](CNc1nccc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000303632376 456471873 /nfs/dbraw/zinc/47/18/73/456471873.db2.gz FSGXYEFNUDNJEN-HNNXBMFYSA-N 0 0 343.383 3.132 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[C@H](C)O ZINC000276574902 456519781 /nfs/dbraw/zinc/51/97/81/456519781.db2.gz KWGRYYFVIFUXFW-JTQLQIEISA-N 0 0 328.796 3.084 10 5 EGBERN CC(C)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291240114 456575861 /nfs/dbraw/zinc/57/58/61/456575861.db2.gz LEKPWSJTTYEUBR-LBPRGKRZSA-N 0 0 343.221 3.357 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccoc2C2CC2)cc([N+](=O)[O-])c1 ZINC000282657918 456584608 /nfs/dbraw/zinc/58/46/08/456584608.db2.gz PQLDAWADBQKFLI-UHFFFAOYSA-N 0 0 330.296 3.104 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccon3)no2)c1 ZINC000340642413 456594995 /nfs/dbraw/zinc/59/49/95/456594995.db2.gz OKHTXFAYDUGFIO-UHFFFAOYSA-N 0 0 326.190 3.319 10 5 EGBERN Cc1cc(C)c(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2=O)c(C)c1 ZINC000276903577 456615495 /nfs/dbraw/zinc/61/54/95/456615495.db2.gz MRSFFPKNQULWKK-HNNXBMFYSA-N 0 0 340.383 3.132 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1(CCF)CC1 ZINC000291626316 456699340 /nfs/dbraw/zinc/69/93/40/456699340.db2.gz FGWXAAYOOWXZIM-UHFFFAOYSA-N 0 0 331.141 3.436 10 5 EGBERN C[C@@H]1c2ccccc2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000340851180 456717722 /nfs/dbraw/zinc/71/77/22/456717722.db2.gz OZSPECSSQMJNPH-GFCCVEGCSA-N 0 0 332.381 3.001 10 5 EGBERN CN(Cc1nncn1C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000291765568 456749638 /nfs/dbraw/zinc/74/96/38/456749638.db2.gz BIKHWQGGIAEYJV-UHFFFAOYSA-N 0 0 349.700 3.032 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](CO)c1cccnc1 ZINC000340903138 456751934 /nfs/dbraw/zinc/75/19/34/456751934.db2.gz RPTZZOKTVUXMJM-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353555302 456756219 /nfs/dbraw/zinc/75/62/19/456756219.db2.gz NOHSDBSBFVBDAZ-AWEZNQCLSA-N 0 0 332.360 3.022 10 5 EGBERN Cc1cc(N[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277435075 456823653 /nfs/dbraw/zinc/82/36/53/456823653.db2.gz IZXMQMMPWVDGAH-XHDPSFHLSA-N 0 0 328.372 3.197 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H](CC(F)(F)F)C3)cc2N1 ZINC000277438771 456825046 /nfs/dbraw/zinc/82/50/46/456825046.db2.gz NDHXMHBKDJTGKX-VIFPVBQESA-N 0 0 343.305 3.258 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000277461794 456832938 /nfs/dbraw/zinc/83/29/38/456832938.db2.gz PDICBTXXODVYEG-SNVBAGLBSA-N 0 0 345.321 3.075 10 5 EGBERN CCN(C[C@@H]1COc2ccccc2O1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301253937 456835155 /nfs/dbraw/zinc/83/51/55/456835155.db2.gz CNHVCBPKKBCMEN-GFCCVEGCSA-N 0 0 349.774 3.310 10 5 EGBERN C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341307228 456838476 /nfs/dbraw/zinc/83/84/76/456838476.db2.gz GJYOFISTJFDAPF-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN CCc1ccc([C@H]2CCN(C(=O)c3nn(CC)cc3[N+](=O)[O-])C2)cc1 ZINC000348843755 456882231 /nfs/dbraw/zinc/88/22/31/456882231.db2.gz PNOJREDBJKEDOT-HNNXBMFYSA-N 0 0 342.399 3.003 10 5 EGBERN Cc1noc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000341780564 456941336 /nfs/dbraw/zinc/94/13/36/456941336.db2.gz BKWWKPZIIGGPBQ-UHFFFAOYSA-N 0 0 332.360 3.155 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C(C)C ZINC000353871646 456944105 /nfs/dbraw/zinc/94/41/05/456944105.db2.gz ANMSYEZLMWZXLA-LLVKDONJSA-N 0 0 326.418 3.202 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000345190180 456960414 /nfs/dbraw/zinc/96/04/14/456960414.db2.gz UJMQXWMTDPAIET-SNVBAGLBSA-N 0 0 334.303 3.149 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1-c1ccccc1 ZINC000339193997 456985498 /nfs/dbraw/zinc/98/54/98/456985498.db2.gz PKMUYPDKWAWSTD-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354011194 457006574 /nfs/dbraw/zinc/00/65/74/457006574.db2.gz RQDKAGADJKQEOS-ZJUUUORDSA-N 0 0 346.305 3.399 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc[nH]n1 ZINC000341929158 457007790 /nfs/dbraw/zinc/00/77/90/457007790.db2.gz MFHCKRMSDQIFHR-UHFFFAOYSA-N 0 0 334.401 3.091 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ncc[nH]4)no3)cs2)c1 ZINC000349765571 457043193 /nfs/dbraw/zinc/04/31/93/457043193.db2.gz RBJUIGBJRPBHHA-UHFFFAOYSA-N 0 0 340.324 3.158 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2F)n1 ZINC000342008059 457057863 /nfs/dbraw/zinc/05/78/63/457057863.db2.gz PUIZRCQJLQLNSC-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN CCCCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000349872770 457088539 /nfs/dbraw/zinc/08/85/39/457088539.db2.gz MUVGDTYQCMIHPY-UHFFFAOYSA-N 0 0 346.362 3.154 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(CO)c(Cl)c1 ZINC000354156929 457098723 /nfs/dbraw/zinc/09/87/23/457098723.db2.gz DBXFGZCXILQSLG-UHFFFAOYSA-N 0 0 349.774 3.181 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)F ZINC000356659933 457106810 /nfs/dbraw/zinc/10/68/10/457106810.db2.gz FBQLVJJDOKDTBX-SSDOTTSWSA-N 0 0 333.157 3.144 10 5 EGBERN COc1ccc(NC(=O)c2ccc3c(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000359705075 457121564 /nfs/dbraw/zinc/12/15/64/457121564.db2.gz HKHYNDRBTFDYNJ-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN Nc1c(F)c(N2CCC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000359851088 457134263 /nfs/dbraw/zinc/13/42/63/457134263.db2.gz KMCBYFIFNSAEDG-GOSISDBHSA-N 0 0 343.358 3.342 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccnc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000356731394 457140097 /nfs/dbraw/zinc/14/00/97/457140097.db2.gz IQQDLESGUHPMFH-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC000359892494 457140194 /nfs/dbraw/zinc/14/01/94/457140194.db2.gz BNBJBAGBQHSYDO-GFCCVEGCSA-N 0 0 335.360 3.306 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000359965218 457175258 /nfs/dbraw/zinc/17/52/58/457175258.db2.gz XLAHCMQLGXNCNN-GFCCVEGCSA-N 0 0 330.340 3.257 10 5 EGBERN O=C(Nc1n[nH]c2cc(F)ccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356840323 457181960 /nfs/dbraw/zinc/18/19/60/457181960.db2.gz OCJQEBMUTYCGAS-UHFFFAOYSA-N 0 0 340.270 3.031 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000342276468 457206533 /nfs/dbraw/zinc/20/65/33/457206533.db2.gz BUDQNSCBTUNQGH-SECBINFHSA-N 0 0 338.360 3.301 10 5 EGBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C(F)F ZINC000342280880 457208862 /nfs/dbraw/zinc/20/88/62/457208862.db2.gz LNXKBFPLABMRAH-UHFFFAOYSA-N 0 0 328.275 3.230 10 5 EGBERN O=c1cc[nH]c2cc(CNc3c(F)cc([N+](=O)[O-])cc3F)ccc12 ZINC000347074622 457217418 /nfs/dbraw/zinc/21/74/18/457217418.db2.gz CCUSIQLEZNBNQR-UHFFFAOYSA-N 0 0 331.278 3.327 10 5 EGBERN COCCN(Cc1scnc1C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000360047266 457224208 /nfs/dbraw/zinc/22/42/08/457224208.db2.gz KLJCNIFPUWULRU-UHFFFAOYSA-N 0 0 339.392 3.460 10 5 EGBERN CCOC(=O)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000342347585 457249749 /nfs/dbraw/zinc/24/97/49/457249749.db2.gz AAIRYLMKGPYVGC-ZDUSSCGKSA-N 0 0 332.331 3.493 10 5 EGBERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000342360420 457255107 /nfs/dbraw/zinc/25/51/07/457255107.db2.gz RRHLUGNFNMAMJN-LLVKDONJSA-N 0 0 349.215 3.235 10 5 EGBERN COc1ccc(-c2ccc(CN[C@H](C)c3cn[nH]c3)o2)c([N+](=O)[O-])c1 ZINC000339791156 457270993 /nfs/dbraw/zinc/27/09/93/457270993.db2.gz WPWFYJXRHGASPW-LLVKDONJSA-N 0 0 342.355 3.437 10 5 EGBERN Cc1nccn1CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347175204 457272273 /nfs/dbraw/zinc/27/22/73/457272273.db2.gz YBJVTDIMUREEBW-UHFFFAOYSA-N 0 0 345.403 3.219 10 5 EGBERN O=C([C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347178430 457273333 /nfs/dbraw/zinc/27/33/33/457273333.db2.gz HCQULPCZQWLDLP-LBPRGKRZSA-N 0 0 337.807 3.087 10 5 EGBERN C/C(=C/c1nc(COC[C@H]2CCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000351428151 457286558 /nfs/dbraw/zinc/28/65/58/457286558.db2.gz ZPESPMRWNGHKBW-FSBNRTBOSA-N 0 0 345.355 3.091 10 5 EGBERN Cc1c(Br)c(=O)n(C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342427495 457298916 /nfs/dbraw/zinc/29/89/16/457298916.db2.gz AVBLWRQBIZHXBK-YFKPBYRVSA-N 0 0 343.099 3.026 10 5 EGBERN C[C@](O)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000360430629 457310704 /nfs/dbraw/zinc/31/07/04/457310704.db2.gz YHYDYMNBDDBRFE-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000347259664 457316460 /nfs/dbraw/zinc/31/64/60/457316460.db2.gz ZXUIVZUMEMBQBN-UHFFFAOYSA-N 0 0 330.300 3.179 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@@H](CSC)C2)cc1[N+](=O)[O-] ZINC000347313165 457348233 /nfs/dbraw/zinc/34/82/33/457348233.db2.gz QJFLBANTFHTEML-GFCCVEGCSA-N 0 0 338.429 3.209 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2cc(Cl)ccc2n1 ZINC000360891828 457412491 /nfs/dbraw/zinc/41/24/91/457412491.db2.gz QQJCNKSHECIISA-UHFFFAOYSA-N 0 0 334.767 3.033 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971902 457421441 /nfs/dbraw/zinc/42/14/41/457421441.db2.gz KLSXZOVOWTUSBC-ATNYBXOESA-N 0 0 334.416 3.314 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000360910764 457428223 /nfs/dbraw/zinc/42/82/23/457428223.db2.gz YNRNVNYJGNWAET-UHFFFAOYSA-N 0 0 348.378 3.307 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369846949 457428509 /nfs/dbraw/zinc/42/85/09/457428509.db2.gz OPJBJWRXSMFEGG-GJZGRUSLSA-N 0 0 332.400 3.182 10 5 EGBERN COc1cc(NCC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])cc1F ZINC000357299961 457430534 /nfs/dbraw/zinc/43/05/34/457430534.db2.gz KGABXFGTVDYZTO-UHFFFAOYSA-N 0 0 347.346 3.410 10 5 EGBERN CCC1(CC)CN(c2c(Cl)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000425235434 457468786 /nfs/dbraw/zinc/46/87/86/457468786.db2.gz DBNOUKXJYNHJHO-UHFFFAOYSA-N 0 0 346.836 3.042 10 5 EGBERN Cn1c(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)nnc1C1CCC1 ZINC000360984347 457489800 /nfs/dbraw/zinc/48/98/00/457489800.db2.gz JMBPRPCWNYKKQY-UHFFFAOYSA-N 0 0 346.778 3.042 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000357454905 457539114 /nfs/dbraw/zinc/53/91/14/457539114.db2.gz HQLMGQUQQYDRRD-SNVBAGLBSA-N 0 0 346.314 3.012 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000425440356 457554244 /nfs/dbraw/zinc/55/42/44/457554244.db2.gz GOEOBIAKXSCRRU-MXWKQRLJSA-N 0 0 343.221 3.355 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CC1 ZINC000356306492 457564456 /nfs/dbraw/zinc/56/44/56/457564456.db2.gz LNTVECKBFAGMIU-UHFFFAOYSA-N 0 0 334.319 3.146 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357539369 457585566 /nfs/dbraw/zinc/58/55/66/457585566.db2.gz PNEBZRMGNIAMSJ-HZSPNIEDSA-N 0 0 331.416 3.312 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356377514 457594004 /nfs/dbraw/zinc/59/40/04/457594004.db2.gz RJPRCWWWVCIWNK-UHFFFAOYSA-N 0 0 332.747 3.243 10 5 EGBERN O=[N+]([O-])c1ccccc1NCc1nc(COCc2ccccc2)no1 ZINC000356429925 457621420 /nfs/dbraw/zinc/62/14/20/457621420.db2.gz BJZWENJSEJBJSB-UHFFFAOYSA-N 0 0 340.339 3.307 10 5 EGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1[N+](=O)[O-] ZINC000374532342 457650867 /nfs/dbraw/zinc/65/08/67/457650867.db2.gz WABIVOPBXJZIAG-YHWZYXNKSA-N 0 0 330.363 3.382 10 5 EGBERN CNc1c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cccc1[N+](=O)[O-] ZINC000361222276 457652281 /nfs/dbraw/zinc/65/22/81/457652281.db2.gz WTMQFSHLCCICMK-CQSZACIVSA-N 0 0 341.367 3.117 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000374570678 457663278 /nfs/dbraw/zinc/66/32/78/457663278.db2.gz CQXJOHUMAUJUGF-UHFFFAOYSA-N 0 0 345.330 3.229 10 5 EGBERN COC1CCC(Cc2noc(COc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000357729979 457671446 /nfs/dbraw/zinc/67/14/46/457671446.db2.gz KHBBVYWFILWFBM-UHFFFAOYSA-N 0 0 347.371 3.305 10 5 EGBERN CC[C@@H](NC(=O)Cc1csc2nccn12)c1cccc([N+](=O)[O-])c1 ZINC000361330309 457695734 /nfs/dbraw/zinc/69/57/34/457695734.db2.gz HTLUJMWFKMIGGZ-CQSZACIVSA-N 0 0 344.396 3.114 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374867917 457723068 /nfs/dbraw/zinc/72/30/68/457723068.db2.gz HGYOYKSCENLUMM-GFCCVEGCSA-N 0 0 343.305 3.185 10 5 EGBERN CC(C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443781186 457810459 /nfs/dbraw/zinc/81/04/59/457810459.db2.gz PEPYLVVTLRGMFF-OAHLLOKOSA-N 0 0 340.445 3.183 10 5 EGBERN Cc1csc(NC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371189369 457820712 /nfs/dbraw/zinc/82/07/12/457820712.db2.gz RXZYKALRWYTQJR-UHFFFAOYSA-N 0 0 332.429 3.436 10 5 EGBERN COc1cc(CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000443948282 457829106 /nfs/dbraw/zinc/82/91/06/457829106.db2.gz CMEDMZIXXWGYEI-UHFFFAOYSA-N 0 0 346.358 3.430 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000375219294 457837563 /nfs/dbraw/zinc/83/75/63/457837563.db2.gz ABWINGXCQKXCIE-KRWDZBQOSA-N 0 0 337.335 3.289 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000433744328 457875891 /nfs/dbraw/zinc/87/58/91/457875891.db2.gz IXGZWGNIXJLQCB-SNVBAGLBSA-N 0 0 348.346 3.488 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N(Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000433860209 457899842 /nfs/dbraw/zinc/89/98/42/457899842.db2.gz SBUXGJAIRNASKY-UHFFFAOYSA-N 0 0 330.388 3.492 10 5 EGBERN COC1CCC(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000427050371 457937279 /nfs/dbraw/zinc/93/72/79/457937279.db2.gz YFSZEFZASBDTNK-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000458162050 457949426 /nfs/dbraw/zinc/94/94/26/457949426.db2.gz LJJWJJDCAQYBPG-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)c(F)c2C1 ZINC000427360076 457977479 /nfs/dbraw/zinc/97/74/79/457977479.db2.gz XXTLJYRCRAFZNV-UHFFFAOYSA-N 0 0 332.306 3.000 10 5 EGBERN O=C(Nc1ncccc1O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444825382 457984226 /nfs/dbraw/zinc/98/42/26/457984226.db2.gz CPKQTTFMRNDAMC-UHFFFAOYSA-N 0 0 331.331 3.034 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361987742 457993236 /nfs/dbraw/zinc/99/32/36/457993236.db2.gz CICLVIJDGZWXOT-JTQLQIEISA-N 0 0 348.378 3.485 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)Cc1ccccc1F ZINC000444917544 457995555 /nfs/dbraw/zinc/99/55/55/457995555.db2.gz DVOKHFYREXMXHX-NSHDSACASA-N 0 0 347.346 3.495 10 5 EGBERN CN(Cc1cccn1C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444969312 458001599 /nfs/dbraw/zinc/00/15/99/458001599.db2.gz VEMCEGSZVYHDPZ-UHFFFAOYSA-N 0 0 345.402 3.292 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)Cc1cccc(F)c1 ZINC000458295895 458003401 /nfs/dbraw/zinc/00/34/01/458003401.db2.gz YAZLKXBTHXAXFF-LLVKDONJSA-N 0 0 331.347 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)cc1 ZINC000445516951 458059896 /nfs/dbraw/zinc/05/98/96/458059896.db2.gz VVWHNDZKHYCCSJ-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427986696 458061892 /nfs/dbraw/zinc/06/18/92/458061892.db2.gz YNXZITVTWXTYTD-UHFFFAOYSA-N 0 0 340.339 3.226 10 5 EGBERN COC(=O)[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428079874 458075102 /nfs/dbraw/zinc/07/51/02/458075102.db2.gz MVPMFSPKNIROHQ-CGICMKJESA-N 0 0 326.352 3.112 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000428105172 458080942 /nfs/dbraw/zinc/08/09/42/458080942.db2.gz DBXYBYJDAQGUCF-HWWDLCQESA-N 0 0 343.427 3.359 10 5 EGBERN Cc1ccc2oc(-c3noc(-c4nn(C)cc4[N+](=O)[O-])n3)cc2c1 ZINC000445750612 458085050 /nfs/dbraw/zinc/08/50/50/458085050.db2.gz KOPXLJXZADXDCD-UHFFFAOYSA-N 0 0 325.284 3.100 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nccn2c1C ZINC000362344497 458117043 /nfs/dbraw/zinc/11/70/43/458117043.db2.gz GFXNDVHSEVEYJB-UHFFFAOYSA-N 0 0 330.369 3.427 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1CC(=O)CC2 ZINC000362345535 458117622 /nfs/dbraw/zinc/11/76/22/458117622.db2.gz NUJXDPSKFXAAHR-UHFFFAOYSA-N 0 0 338.363 3.467 10 5 EGBERN Cc1csc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)n1 ZINC000358636853 458121284 /nfs/dbraw/zinc/12/12/84/458121284.db2.gz JCCPOCVXEJDZFV-NSHDSACASA-N 0 0 334.401 3.229 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CCC2)nc1-c1ccc(F)cc1 ZINC000362359762 458126537 /nfs/dbraw/zinc/12/65/37/458126537.db2.gz PPIDGPAWCUPHOI-UHFFFAOYSA-N 0 0 345.374 3.182 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-n1cccn1 ZINC000371936269 458128461 /nfs/dbraw/zinc/12/84/61/458128461.db2.gz HCKLDYHZGPDWSM-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000446103152 458149201 /nfs/dbraw/zinc/14/92/01/458149201.db2.gz LWZUNIWHOGAQIQ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CCOc1nc(C)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000362460630 458194417 /nfs/dbraw/zinc/19/44/17/458194417.db2.gz MTHSHUIKPWLTGA-GFCCVEGCSA-N 0 0 341.367 3.288 10 5 EGBERN CC[C@H](NC(=O)c1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372151515 458211608 /nfs/dbraw/zinc/21/16/08/458211608.db2.gz WQRVFQDAYVOWLY-AWEZNQCLSA-N 0 0 328.372 3.009 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc2ncsc2c1 ZINC000362492790 458214875 /nfs/dbraw/zinc/21/48/75/458214875.db2.gz PGLRZCJWZVFUEZ-VIFPVBQESA-N 0 0 330.369 3.034 10 5 EGBERN CC(=O)c1cc(N[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000376186426 458227480 /nfs/dbraw/zinc/22/74/80/458227480.db2.gz HHZFBPUWWBGSIQ-INIZCTEOSA-N 0 0 339.351 3.015 10 5 EGBERN Cc1ccc(-c2nnc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)o2)cc1 ZINC000436187588 458266809 /nfs/dbraw/zinc/26/68/09/458266809.db2.gz RSISPQZGWRCKSS-UHFFFAOYSA-N 0 0 325.328 3.075 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCOc4c(Cl)cccc43)nc2c1 ZINC000447680002 458328588 /nfs/dbraw/zinc/32/85/88/458328588.db2.gz PUASDRWWBCJRCC-LBPRGKRZSA-N 0 0 344.758 3.482 10 5 EGBERN CN(C[C@@H]1OCCc2ccccc21)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447692531 458329966 /nfs/dbraw/zinc/32/99/66/458329966.db2.gz GDPRVTPNGNYAQL-KRWDZBQOSA-N 0 0 338.367 3.221 10 5 EGBERN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CCO)c1ccccc1 ZINC000447687572 458330139 /nfs/dbraw/zinc/33/01/39/458330139.db2.gz VCDOJXSBURVIAD-INIZCTEOSA-N 0 0 326.356 3.031 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C2CCCCC2)C1 ZINC000430222915 458424033 /nfs/dbraw/zinc/42/40/33/458424033.db2.gz GXDBMASMRVAQJY-SFHVURJKSA-N 0 0 334.416 3.385 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000437250769 458439085 /nfs/dbraw/zinc/43/90/85/458439085.db2.gz YMPGKSPAZBQMRN-JTQLQIEISA-N 0 0 348.321 3.499 10 5 EGBERN Cc1cc(OCC(=O)NC/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000430681497 458480263 /nfs/dbraw/zinc/48/02/63/458480263.db2.gz BVFBQVKKJNCHHH-YVMONPNESA-N 0 0 326.352 3.112 10 5 EGBERN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460222466 458506798 /nfs/dbraw/zinc/50/67/98/458506798.db2.gz OMUANOQQGKLGBB-TZMCWYRMSA-N 0 0 329.404 3.498 10 5 EGBERN CCOc1ccccc1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460502860 458522404 /nfs/dbraw/zinc/52/24/04/458522404.db2.gz JJTHRNXFZUYUGE-UHFFFAOYSA-N 0 0 342.395 3.285 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C)C1CC1 ZINC000460632792 458527736 /nfs/dbraw/zinc/52/77/36/458527736.db2.gz JBXXFQSGJOBFMR-UHFFFAOYSA-N 0 0 329.404 3.498 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCSC2)cc(Br)cc1[N+](=O)[O-] ZINC000431181756 458540843 /nfs/dbraw/zinc/54/08/43/458540843.db2.gz LDCGCGSNQJQWFH-MRVPVSSYSA-N 0 0 345.218 3.357 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CSC[C@@H]1COCCO1 ZINC000424121927 458563074 /nfs/dbraw/zinc/56/30/74/458563074.db2.gz JIBSVXQOAZYDPE-NSHDSACASA-N 0 0 348.218 3.006 10 5 EGBERN CCOc1cccc(NCc2ccnc(-n3ccnc3)c2)c1[N+](=O)[O-] ZINC000378040906 458608743 /nfs/dbraw/zinc/60/87/43/458608743.db2.gz MAOCYDFDWWSAHN-UHFFFAOYSA-N 0 0 339.355 3.186 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000438940223 458631800 /nfs/dbraw/zinc/63/18/00/458631800.db2.gz VHIUHTPOMRLJBR-NSHDSACASA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438934902 458631877 /nfs/dbraw/zinc/63/18/77/458631877.db2.gz IPTNYUQSBKVJFJ-DCAQKATOSA-N 0 0 326.780 3.195 10 5 EGBERN CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000439292328 458686292 /nfs/dbraw/zinc/68/62/92/458686292.db2.gz DLCHILBFYHGKTB-OLZOCXBDSA-N 0 0 331.759 3.410 10 5 EGBERN Cc1cc(C)c(Cc2noc(-c3ccc([N+](=O)[O-])n3C)n2)c(C)c1 ZINC000547021226 458693485 /nfs/dbraw/zinc/69/34/85/458693485.db2.gz NIIFOIOGIWPSJB-UHFFFAOYSA-N 0 0 326.356 3.499 10 5 EGBERN Cc1nn(CC(=O)Nc2ccccc2F)c2ccc([N+](=O)[O-])cc12 ZINC000432244616 458703969 /nfs/dbraw/zinc/70/39/69/458703969.db2.gz FJWVSZHZEVEESO-UHFFFAOYSA-N 0 0 328.303 3.031 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000463891194 458724071 /nfs/dbraw/zinc/72/40/71/458724071.db2.gz IIIDKUZKSLBQPE-CQSZACIVSA-N 0 0 335.404 3.269 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000463951346 458725985 /nfs/dbraw/zinc/72/59/85/458725985.db2.gz QGQYNQQAGMVWKF-GJZGRUSLSA-N 0 0 347.415 3.492 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000494670115 458726166 /nfs/dbraw/zinc/72/61/66/458726166.db2.gz DTXXCNAYTCZDKO-CYBMUJFWSA-N 0 0 328.368 3.312 10 5 EGBERN CC(C)CCc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])nc1 ZINC000456792066 458783793 /nfs/dbraw/zinc/78/37/93/458783793.db2.gz ZYGACINIOOTWCW-UHFFFAOYSA-N 0 0 328.372 3.413 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(SCCC(=O)OC(C)(C)C)c1 ZINC000440542622 458824240 /nfs/dbraw/zinc/82/42/40/458824240.db2.gz ZTJSYTAOWLUONF-UHFFFAOYSA-N 0 0 341.385 3.205 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524309 458833528 /nfs/dbraw/zinc/83/35/28/458833528.db2.gz XBSVUAVRXDYYRY-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN Cn1c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000518365355 458861243 /nfs/dbraw/zinc/86/12/43/458861243.db2.gz IUACMDNTZGRWPW-GFCCVEGCSA-N 0 0 333.775 3.216 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](COC)CC1 ZINC000457096074 458865705 /nfs/dbraw/zinc/86/57/05/458865705.db2.gz VUXWFFWVBPNGSN-SJORKVTESA-N 0 0 348.443 3.439 10 5 EGBERN COCC[C@@H]1CCCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000466621233 458908902 /nfs/dbraw/zinc/90/89/02/458908902.db2.gz YVCGVWQXNLBYGB-ZDUSSCGKSA-N 0 0 336.388 3.024 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000467002837 458943304 /nfs/dbraw/zinc/94/33/04/458943304.db2.gz DURSNIWBTZTFPP-SUMWQHHRSA-N 0 0 328.368 3.468 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531636373 458949469 /nfs/dbraw/zinc/94/94/69/458949469.db2.gz IJLHRJUJJTYBOC-HNNXBMFYSA-N 0 0 327.384 3.473 10 5 EGBERN CCN(CCC1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576996171 458961140 /nfs/dbraw/zinc/96/11/40/458961140.db2.gz OPYZCEGUAXTKSS-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000566618060 458970729 /nfs/dbraw/zinc/97/07/29/458970729.db2.gz YWGZSZDDRQCDAE-NSHDSACASA-N 0 0 343.431 3.262 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000519668849 458983786 /nfs/dbraw/zinc/98/37/86/458983786.db2.gz KGTMZKCZECFCHA-NXEZZACHSA-N 0 0 346.305 3.159 10 5 EGBERN CCO[C@@H](CC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000577133624 458984229 /nfs/dbraw/zinc/98/42/29/458984229.db2.gz CWNICJOADSBMAH-LBPRGKRZSA-N 0 0 345.193 3.419 10 5 EGBERN O=C(NCCc1csc2ccccc12)c1ccc([N+](=O)[O-])cn1 ZINC000531878241 458992837 /nfs/dbraw/zinc/99/28/37/458992837.db2.gz BIOHBHSRSBSXOW-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])O2 ZINC000476564151 459007676 /nfs/dbraw/zinc/00/76/76/459007676.db2.gz MURMMVKRKRXPMW-SCLBCKFNSA-N 0 0 340.379 3.474 10 5 EGBERN CC(C)c1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000476609767 459011124 /nfs/dbraw/zinc/01/11/24/459011124.db2.gz VTLPCNBQNVKIPN-UHFFFAOYSA-N 0 0 348.424 3.338 10 5 EGBERN COc1ccc(C(=O)CCN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000556811430 459014148 /nfs/dbraw/zinc/01/41/48/459014148.db2.gz NLRJNRFLWSJFMV-UHFFFAOYSA-N 0 0 340.379 3.235 10 5 EGBERN Cc1cc(NCC2([NH+](C)C)CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377670 459024404 /nfs/dbraw/zinc/02/44/04/459024404.db2.gz UQMMWOJTTOBRHM-UHFFFAOYSA-N 0 0 335.404 3.278 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000566950843 459025402 /nfs/dbraw/zinc/02/54/02/459025402.db2.gz VKSHQUOXVDAFOI-UHFFFAOYSA-N 0 0 343.170 3.048 10 5 EGBERN CO[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000477348037 459041867 /nfs/dbraw/zinc/04/18/67/459041867.db2.gz HBXZPFVIZOOZSR-LBPRGKRZSA-N 0 0 328.796 3.348 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000589941297 459053426 /nfs/dbraw/zinc/05/34/26/459053426.db2.gz ATNLWQBQJCYEJI-UHFFFAOYSA-N 0 0 333.294 3.446 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594487209 459057690 /nfs/dbraw/zinc/05/76/90/459057690.db2.gz LRLSBAJKESSTBP-SNVBAGLBSA-N 0 0 348.371 3.087 10 5 EGBERN COCC1(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000567168311 459058171 /nfs/dbraw/zinc/05/81/71/459058171.db2.gz INBGKXKWKKYWOW-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CN(c1ccccc1)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052908 459071382 /nfs/dbraw/zinc/07/13/82/459071382.db2.gz CGPTUQDAOQDLGF-RBUKOAKNSA-N 0 0 339.395 3.336 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594588949 459099723 /nfs/dbraw/zinc/09/97/23/459099723.db2.gz ALSZECWGNGZWNT-HZPDHXFCSA-N 0 0 334.372 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(CC3(F)F)C2)nc1OCc1ccccc1 ZINC000594590222 459100954 /nfs/dbraw/zinc/10/09/54/459100954.db2.gz XGSAODMZHNZADV-UHFFFAOYSA-N 0 0 347.321 3.414 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H](OC3CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000594594004 459102579 /nfs/dbraw/zinc/10/25/79/459102579.db2.gz HMKXXRLYDAEBHH-OAHLLOKOSA-N 0 0 348.399 3.228 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000590380171 459122815 /nfs/dbraw/zinc/12/28/15/459122815.db2.gz YVMVTEGYNJOCST-KCJUWKMLSA-N 0 0 334.319 3.239 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401142 459125200 /nfs/dbraw/zinc/12/52/00/459125200.db2.gz IKCFNIJWSQQXQY-MRXNPFEDSA-N 0 0 339.395 3.329 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000590442230 459130907 /nfs/dbraw/zinc/13/09/07/459130907.db2.gz OSQFUOFLBZKXLY-XZJROXQQSA-N 0 0 342.399 3.251 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCCO[C@H]2CC2(F)F)c1 ZINC000594707150 459135139 /nfs/dbraw/zinc/13/51/39/459135139.db2.gz KPQYBGMVVNGAJX-JTQLQIEISA-N 0 0 337.120 3.193 10 5 EGBERN Cc1c(CNc2ccc3c(c2)CCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000594708096 459135105 /nfs/dbraw/zinc/13/51/05/459135105.db2.gz OVOJDHGLDNWNIA-UHFFFAOYSA-N 0 0 325.368 3.143 10 5 EGBERN COc1ccc(CC(=O)NC[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000578071712 459141665 /nfs/dbraw/zinc/14/16/65/459141665.db2.gz HTKQCQHPTSRZKN-PESDSKBTSA-N 0 0 332.400 3.088 10 5 EGBERN COC(=O)c1c(Cl)c(NCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000590575446 459152260 /nfs/dbraw/zinc/15/22/60/459152260.db2.gz ZNTXUVJHZVJKCZ-UHFFFAOYSA-N 0 0 339.735 3.252 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000479656622 459156608 /nfs/dbraw/zinc/15/66/08/459156608.db2.gz PEBYGJGXONOGJM-HDJSIYSDSA-N 0 0 342.399 3.479 10 5 EGBERN CC(C)O[C@@]1(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCOC1 ZINC000594894685 459169355 /nfs/dbraw/zinc/16/93/55/459169355.db2.gz UUCHQTJMYPLPAF-OAHLLOKOSA-N 0 0 339.779 3.182 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@]4(CNc5ccccc54)C3)nc2c1 ZINC000590700674 459187198 /nfs/dbraw/zinc/18/71/98/459187198.db2.gz XAOYVILGBOKZLY-GOSISDBHSA-N 0 0 335.367 3.045 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000590715072 459192825 /nfs/dbraw/zinc/19/28/25/459192825.db2.gz QACGBEURJOIFSY-UNEWFSDZSA-N 0 0 327.384 3.273 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCC(OC(F)F)CC1 ZINC000590883788 459258224 /nfs/dbraw/zinc/25/82/24/459258224.db2.gz AYTGXADXLYESFE-UHFFFAOYSA-N 0 0 342.342 3.194 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000568438382 459287178 /nfs/dbraw/zinc/28/71/78/459287178.db2.gz RJPGGCYRLULIPD-SNVBAGLBSA-N 0 0 326.343 3.310 10 5 EGBERN Cc1noc(CN[C@@H](c2cc(F)ccc2F)C(F)F)c1[N+](=O)[O-] ZINC000595467803 459314131 /nfs/dbraw/zinc/31/41/31/459314131.db2.gz OKLMJBRIHAXQFM-NSHDSACASA-N 0 0 333.241 3.265 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000595475556 459317077 /nfs/dbraw/zinc/31/70/77/459317077.db2.gz KSFQJTPXWOCRSW-UHFFFAOYSA-N 0 0 329.356 3.277 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000523752185 459328517 /nfs/dbraw/zinc/32/85/17/459328517.db2.gz LPERMJDESOHXTI-NWDGAFQWSA-N 0 0 330.388 3.417 10 5 EGBERN C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595522541 459334425 /nfs/dbraw/zinc/33/44/25/459334425.db2.gz MAMFQCDDCLXJDN-DNOWBOINSA-N 0 0 337.395 3.353 10 5 EGBERN COc1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1Cl ZINC000582300382 459343095 /nfs/dbraw/zinc/34/30/95/459343095.db2.gz BSTIHPGKVVYPQR-UHFFFAOYSA-N 0 0 348.786 3.346 10 5 EGBERN O=C(Nc1cc2c(cn1)CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560442046 459346758 /nfs/dbraw/zinc/34/67/58/459346758.db2.gz KHRLOFASZJYFPS-UHFFFAOYSA-N 0 0 338.367 3.069 10 5 EGBERN Cc1c(CNC(=O)NCC[C@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000595588750 459357484 /nfs/dbraw/zinc/35/74/84/459357484.db2.gz UXYVVZPGJXBBOP-CQSZACIVSA-N 0 0 327.331 3.138 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C2CCC2)CC1 ZINC000595659110 459387942 /nfs/dbraw/zinc/38/79/42/459387942.db2.gz KGIWQIRFOCZYRC-UHFFFAOYSA-N 0 0 331.416 3.354 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccccc2CC)cc1[N+](=O)[O-] ZINC000524891957 459402320 /nfs/dbraw/zinc/40/23/20/459402320.db2.gz UKVAWYFCLOXDRJ-UHFFFAOYSA-N 0 0 328.368 3.486 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C\[C@@H]3CCCO3)n2)c2c1NCCC2 ZINC000591665821 459420095 /nfs/dbraw/zinc/42/00/95/459420095.db2.gz JXZPLLDXMZHHEC-OFSNVTPPSA-N 0 0 342.355 3.195 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000595757787 459428989 /nfs/dbraw/zinc/42/89/89/459428989.db2.gz FKVMVAVWGLOHJO-QGZVFWFLSA-N 0 0 334.322 3.447 10 5 EGBERN CC[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595786061 459440306 /nfs/dbraw/zinc/44/03/06/459440306.db2.gz ZAJGPSYDNOMOCD-OCCSQVGLSA-N 0 0 327.331 3.390 10 5 EGBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561563080 459465491 /nfs/dbraw/zinc/46/54/91/459465491.db2.gz TWNQZVYYKYRKRI-GHMZBOCLSA-N 0 0 346.474 3.492 10 5 EGBERN CCOc1cc(CN2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595887413 459475330 /nfs/dbraw/zinc/47/53/30/459475330.db2.gz SHKDHRJAAQPUGM-LBPRGKRZSA-N 0 0 348.321 3.147 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1c(C)cccc1Cl ZINC000485935236 459479884 /nfs/dbraw/zinc/47/98/84/459479884.db2.gz PGXONQKDLRFTLA-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN O=c1[nH]c2c(cc1CNc1nc3c(cc1[N+](=O)[O-])CCCC3)CCC2 ZINC000591912751 459480945 /nfs/dbraw/zinc/48/09/45/459480945.db2.gz WCWZKIOFZLRNCS-UHFFFAOYSA-N 0 0 340.383 3.070 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1C1CCC1 ZINC000591926306 459487471 /nfs/dbraw/zinc/48/74/71/459487471.db2.gz UQIGIWJABSCJQR-MRXNPFEDSA-N 0 0 347.415 3.468 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@H]1CCO[C@]3(CCSC3)C1)CCCC2 ZINC000591925482 459487825 /nfs/dbraw/zinc/48/78/25/459487825.db2.gz XHPGMODUZWALPD-SUMWQHHRSA-N 0 0 349.456 3.335 10 5 EGBERN CCOc1cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919681 459488050 /nfs/dbraw/zinc/48/80/50/459488050.db2.gz RCRPPTTWAUUBGF-MEDUHNTESA-N 0 0 344.358 3.238 10 5 EGBERN Cc1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596002331 459493724 /nfs/dbraw/zinc/49/37/24/459493724.db2.gz GAYQELXLOKBZEA-UHFFFAOYSA-N 0 0 343.387 3.243 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000591963530 459499197 /nfs/dbraw/zinc/49/91/97/459499197.db2.gz GTAYSOIHSYVVHZ-JTQLQIEISA-N 0 0 329.347 3.436 10 5 EGBERN COc1ccc(CC(=O)Nc2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000562030687 459504984 /nfs/dbraw/zinc/50/49/84/459504984.db2.gz JHWKORMWYWRELI-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000591987972 459505116 /nfs/dbraw/zinc/50/51/16/459505116.db2.gz NUUUZPNHTAOUBY-AOOOYVTPSA-N 0 0 332.360 3.002 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C2CCC2)s1 ZINC000591999981 459508431 /nfs/dbraw/zinc/50/84/31/459508431.db2.gz QSQRLIQMMKZJEA-LLVKDONJSA-N 0 0 344.458 3.219 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596089099 459516460 /nfs/dbraw/zinc/51/64/60/459516460.db2.gz VBZNKVGQLPCILL-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN CC1CCC(OC2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596121061 459528175 /nfs/dbraw/zinc/52/81/75/459528175.db2.gz JMXHZUHHOGXVBE-UHFFFAOYSA-N 0 0 335.404 3.260 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000596153387 459539864 /nfs/dbraw/zinc/53/98/64/459539864.db2.gz YZEVSRIMNPNDLA-JTQLQIEISA-N 0 0 349.774 3.473 10 5 EGBERN CC[C@H]1CO[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596155941 459541651 /nfs/dbraw/zinc/54/16/51/459541651.db2.gz MFKYWASTYBDBOU-UWVGGRQHSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000596168700 459545558 /nfs/dbraw/zinc/54/55/58/459545558.db2.gz AURUZBFOIABWKX-UHFFFAOYSA-N 0 0 349.774 3.475 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596181501 459550228 /nfs/dbraw/zinc/55/02/28/459550228.db2.gz FQSVETKIKLCGEQ-BDAKNGLRSA-N 0 0 328.752 3.014 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596185642 459552562 /nfs/dbraw/zinc/55/25/62/459552562.db2.gz FDFRZLZNMHAIPY-MRVPVSSYSA-N 0 0 331.777 3.306 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@H]1C(F)(F)F ZINC000596206030 459559352 /nfs/dbraw/zinc/55/93/52/459559352.db2.gz GFFIATIJWCMLHY-GFCCVEGCSA-N 0 0 345.321 3.109 10 5 EGBERN Cc1cc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])s1 ZINC000596206086 459559852 /nfs/dbraw/zinc/55/98/52/459559852.db2.gz LDFYJRKHHCDCIT-CYBMUJFWSA-N 0 0 349.387 3.317 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1n[nH]c(C(C)C)c1C ZINC000592256793 459562168 /nfs/dbraw/zinc/56/21/68/459562168.db2.gz FMZMVZMGTPFUMS-UHFFFAOYSA-N 0 0 347.375 3.214 10 5 EGBERN COc1cc(N2CCO[C@H](C3CCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596269348 459580095 /nfs/dbraw/zinc/58/00/95/459580095.db2.gz ADVVSVFMAZWFTJ-HNNXBMFYSA-N 0 0 326.780 3.262 10 5 EGBERN O=c1[nH]ccc(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596271609 459580677 /nfs/dbraw/zinc/58/06/77/459580677.db2.gz SNKOKZMSIKUMPV-AWEZNQCLSA-N 0 0 325.368 3.470 10 5 EGBERN CC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596278260 459581861 /nfs/dbraw/zinc/58/18/61/459581861.db2.gz NWILHFIDFCFDBC-ZJUUUORDSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(F)cc2C)n1 ZINC000596327262 459597182 /nfs/dbraw/zinc/59/71/82/459597182.db2.gz HHGJWBSFIQAHPZ-NSHDSACASA-N 0 0 347.346 3.267 10 5 EGBERN Cc1cc(N2CCO[C@](C)(C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596333602 459599388 /nfs/dbraw/zinc/59/93/88/459599388.db2.gz ADXZZBCAGTXYDB-SFHVURJKSA-N 0 0 327.384 3.457 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(Nc3cccc(CCCO)c3)cc2N1 ZINC000542864796 459605645 /nfs/dbraw/zinc/60/56/45/459605645.db2.gz WGUYADQALJFCHN-UHFFFAOYSA-N 0 0 341.367 3.148 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000572997508 459608977 /nfs/dbraw/zinc/60/89/77/459608977.db2.gz XLZGFRDKMXUOTN-VFZGTOFNSA-N 0 0 342.345 3.488 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596366155 459610245 /nfs/dbraw/zinc/61/02/45/459610245.db2.gz AWHRIKZBUOXVCB-XNRPHZJLSA-N 0 0 345.399 3.121 10 5 EGBERN COc1cc(CSC[C@@H](OC)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000596389406 459618325 /nfs/dbraw/zinc/61/83/25/459618325.db2.gz PHKLPXYCGFZELC-ZUZCIYMTSA-N 0 0 345.392 3.027 10 5 EGBERN O=[N+]([O-])c1cc(CSCCO[C@H]2CC2(F)F)c2c(c1)COCO2 ZINC000596399230 459622769 /nfs/dbraw/zinc/62/27/69/459622769.db2.gz FSEWOEIWBVRYDS-LBPRGKRZSA-N 0 0 347.339 3.119 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(OC2CC2)c1F ZINC000596447009 459639659 /nfs/dbraw/zinc/63/96/59/459639659.db2.gz JVWFNVZOCCHFKC-UHFFFAOYSA-N 0 0 334.351 3.412 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000596487617 459654238 /nfs/dbraw/zinc/65/42/38/459654238.db2.gz ICQJWMBKMQYZIZ-ABAIWWIYSA-N 0 0 336.342 3.430 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000592682152 459664555 /nfs/dbraw/zinc/66/45/55/459664555.db2.gz ZPUCMMVIEZAFJS-UHFFFAOYSA-N 0 0 325.368 3.351 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1-c1ccccc1 ZINC000596528659 459667851 /nfs/dbraw/zinc/66/78/51/459667851.db2.gz NWOZEYXEVYSOCS-CABCVRRESA-N 0 0 325.368 3.130 10 5 EGBERN NC(=O)CC1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCCC1 ZINC000596544989 459672366 /nfs/dbraw/zinc/67/23/66/459672366.db2.gz UNEWVNSNQCZSTK-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](CC(F)(F)F)O1 ZINC000596556257 459674965 /nfs/dbraw/zinc/67/49/65/459674965.db2.gz XHKATMRKGZCLNG-NXEZZACHSA-N 0 0 345.321 3.109 10 5 EGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000596555599 459675167 /nfs/dbraw/zinc/67/51/67/459675167.db2.gz RDYDJTWFZFCDSK-VXNVDRBHSA-N 0 0 339.701 3.189 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592722887 459676737 /nfs/dbraw/zinc/67/67/37/459676737.db2.gz VCPUJZHXMNPQON-UHFFFAOYSA-N 0 0 346.305 3.454 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592722667 459676798 /nfs/dbraw/zinc/67/67/98/459676798.db2.gz SGLRDMLPFHGILG-UHFFFAOYSA-N 0 0 335.379 3.427 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCC[C@@H]1C1CCC1 ZINC000592733703 459678802 /nfs/dbraw/zinc/67/88/02/459678802.db2.gz AUOCPUDLYAQFKG-CYBMUJFWSA-N 0 0 332.356 3.118 10 5 EGBERN Cc1ccc(C2(NC(=O)COc3ccccc3[N+](=O)[O-])CCC2)cc1 ZINC000592734550 459679016 /nfs/dbraw/zinc/67/90/16/459679016.db2.gz JLCAVJYINBRUEP-UHFFFAOYSA-N 0 0 340.379 3.478 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000543639189 459679629 /nfs/dbraw/zinc/67/96/29/459679629.db2.gz GMMKUNPAUWLRPX-NSHDSACASA-N 0 0 347.346 3.495 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000596572015 459680892 /nfs/dbraw/zinc/68/08/92/459680892.db2.gz IZBLLLSCXHOGRU-VFZGTOFNSA-N 0 0 328.315 3.046 10 5 EGBERN CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)CC(F)(F)F ZINC000596586794 459686018 /nfs/dbraw/zinc/68/60/18/459686018.db2.gz YQHORWKDKJPXAQ-UHFFFAOYSA-N 0 0 328.294 3.350 10 5 EGBERN CC[C@@](C)(NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000596600586 459693302 /nfs/dbraw/zinc/69/33/02/459693302.db2.gz IQZILRYGVJIMIY-GOSISDBHSA-N 0 0 344.415 3.497 10 5 EGBERN CC(C)(C(=O)N1CC(C)(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592835440 459701415 /nfs/dbraw/zinc/70/14/15/459701415.db2.gz OXYMMDBKELLFQJ-UHFFFAOYSA-N 0 0 326.343 3.376 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592853737 459704693 /nfs/dbraw/zinc/70/46/93/459704693.db2.gz LALQZCWXKISFCJ-MRXNPFEDSA-N 0 0 336.413 3.481 10 5 EGBERN O=C([C@H]1CCCC2(CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596814559 459769024 /nfs/dbraw/zinc/76/90/24/459769024.db2.gz VGNWXWQQWQZQKK-HNNXBMFYSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000596866360 459782136 /nfs/dbraw/zinc/78/21/36/459782136.db2.gz MJAFXPUODOFFLK-DYVFJYSZSA-N 0 0 343.383 3.455 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000593134701 459784060 /nfs/dbraw/zinc/78/40/60/459784060.db2.gz PJWWWRLRUNMVHA-CQSZACIVSA-N 0 0 349.387 3.405 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596878391 459785368 /nfs/dbraw/zinc/78/53/68/459785368.db2.gz AIENTGCGFLUBLY-GFCCVEGCSA-N 0 0 341.358 3.420 10 5 EGBERN C[C@]1(F)CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000584706028 459787349 /nfs/dbraw/zinc/78/73/49/459787349.db2.gz NFXYNMBGYBIASD-KRWDZBQOSA-N 0 0 348.378 3.152 10 5 EGBERN COCCc1ccccc1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593177693 459798292 /nfs/dbraw/zinc/79/82/92/459798292.db2.gz SJMCMFGESZCRLI-UHFFFAOYSA-N 0 0 344.367 3.182 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(C)C)c1ccc(F)cn1 ZINC000593184081 459799441 /nfs/dbraw/zinc/79/94/41/459799441.db2.gz UVLQQZIAENETOO-UHFFFAOYSA-N 0 0 332.335 3.135 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593182605 459799788 /nfs/dbraw/zinc/79/97/88/459799788.db2.gz WRBUOVKFBDSDSW-UHFFFAOYSA-N 0 0 347.268 3.493 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@H]2CCCOC2)c1 ZINC000593189923 459802234 /nfs/dbraw/zinc/80/22/34/459802234.db2.gz CHJCCRJYMPVXDO-NSHDSACASA-N 0 0 325.386 3.041 10 5 EGBERN CCc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000593215107 459809820 /nfs/dbraw/zinc/80/98/20/459809820.db2.gz YMOXRJRZQAHAHB-UHFFFAOYSA-N 0 0 341.367 3.389 10 5 EGBERN CNC(=O)[C@H](CNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000566161287 459816892 /nfs/dbraw/zinc/81/68/92/459816892.db2.gz XSIDNJWYZBBZCL-AWEZNQCLSA-N 0 0 345.374 3.059 10 5 EGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593284192 459829615 /nfs/dbraw/zinc/82/96/15/459829615.db2.gz SUOWXQRHHHAPKP-PWSUYJOCSA-N 0 0 326.780 3.196 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000593295443 459832910 /nfs/dbraw/zinc/83/29/10/459832910.db2.gz LKTMNJDCHPXROZ-LLVKDONJSA-N 0 0 346.305 3.255 10 5 EGBERN Nc1c(NC(=O)NCC2CCC(F)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090168 459835462 /nfs/dbraw/zinc/83/54/62/459835462.db2.gz ILQNJLDXGHPMIR-UHFFFAOYSA-N 0 0 344.774 3.480 10 5 EGBERN Nc1c(NC(=O)NC[C@H]2CCCC2(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597090417 459835699 /nfs/dbraw/zinc/83/56/99/459835699.db2.gz MGWGWQGGNLWJGU-SSDOTTSWSA-N 0 0 348.737 3.387 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@H]2Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000593306586 459836044 /nfs/dbraw/zinc/83/60/44/459836044.db2.gz FWNKFBOGDFFPRH-AWEZNQCLSA-N 0 0 345.374 3.310 10 5 EGBERN CC(C)COCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093169 459836507 /nfs/dbraw/zinc/83/65/07/459836507.db2.gz AAROMESZCCCIEA-UHFFFAOYSA-N 0 0 344.799 3.015 10 5 EGBERN C[C@@H]1[C@H](C)SCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103967 459837129 /nfs/dbraw/zinc/83/71/29/459837129.db2.gz NWOGNSIZZGKECC-SFYZADRCSA-N 0 0 344.824 3.188 10 5 EGBERN C[C@H]1SCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H]1C ZINC000597103963 459837312 /nfs/dbraw/zinc/83/73/12/459837312.db2.gz NWOGNSIZZGKECC-HTQZYQBOSA-N 0 0 344.824 3.188 10 5 EGBERN CO[C@H](C)CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC000597101589 459837380 /nfs/dbraw/zinc/83/73/80/459837380.db2.gz JPFSYPFOKFQABL-SECBINFHSA-N 0 0 344.799 3.108 10 5 EGBERN CC1(C)CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597100993 459837399 /nfs/dbraw/zinc/83/73/99/459837399.db2.gz NWYVNKSDIZTZCZ-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN Nc1c(NC(=O)NC[C@@H]2CCCCS2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102861 459837409 /nfs/dbraw/zinc/83/74/09/459837409.db2.gz ZHTZSQHMKDLGEY-VIFPVBQESA-N 0 0 344.824 3.238 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000585740275 459838817 /nfs/dbraw/zinc/83/88/17/459838817.db2.gz OTRVMMSTWUZCTC-UHFFFAOYSA-N 0 0 334.397 3.151 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000585740133 459838974 /nfs/dbraw/zinc/83/89/74/459838974.db2.gz FMZXVIYEYWPFGH-UHFFFAOYSA-N 0 0 348.424 3.292 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000593317361 459839906 /nfs/dbraw/zinc/83/99/06/459839906.db2.gz XGCDYGDGMXGNSV-UHFFFAOYSA-N 0 0 342.351 3.016 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[C@H]1C1CC1 ZINC000585750438 459840253 /nfs/dbraw/zinc/84/02/53/459840253.db2.gz TTYRAXHCDJOKCL-RYUDHWBXSA-N 0 0 325.162 3.342 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC12CCC2 ZINC000585750524 459840728 /nfs/dbraw/zinc/84/07/28/459840728.db2.gz NGXYZIRJPVPBAN-NSHDSACASA-N 0 0 325.162 3.486 10 5 EGBERN CC[C@@](C)(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000598251732 459840687 /nfs/dbraw/zinc/84/06/87/459840687.db2.gz VVUGZVORUJSEJA-GOSISDBHSA-N 0 0 343.383 3.217 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccc(N2CCCC2=O)c1 ZINC000574673702 459852665 /nfs/dbraw/zinc/85/26/65/459852665.db2.gz RZIXHMIPQBSTKO-UHFFFAOYSA-N 0 0 341.367 3.342 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC=CCC1 ZINC000585808280 459854011 /nfs/dbraw/zinc/85/40/11/459854011.db2.gz WFJHRLSRCBXOPF-UHFFFAOYSA-N 0 0 326.150 3.151 10 5 EGBERN Cc1cc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ncn1 ZINC000585807970 459854128 /nfs/dbraw/zinc/85/41/28/459854128.db2.gz PXSUIVZBBBXLBG-UHFFFAOYSA-N 0 0 343.387 3.312 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000593357479 459860082 /nfs/dbraw/zinc/86/00/82/459860082.db2.gz GBFWKPQCZGFYAT-ZDUSSCGKSA-N 0 0 336.388 3.096 10 5 EGBERN CN1CCO[C@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752599 459866607 /nfs/dbraw/zinc/86/66/07/459866607.db2.gz LVSQUXQZNONZAS-AWEZNQCLSA-N 0 0 345.424 3.080 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000586777056 459870743 /nfs/dbraw/zinc/87/07/43/459870743.db2.gz DHUULBNUUPKOFL-PELKAZGASA-N 0 0 338.713 3.400 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC(COC)(C2CCC2)C1 ZINC000597193842 459871406 /nfs/dbraw/zinc/87/14/06/459871406.db2.gz YBZAJHGUDYZLMO-UHFFFAOYSA-N 0 0 334.416 3.242 10 5 EGBERN CC1(C)[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000598341268 459871662 /nfs/dbraw/zinc/87/16/62/459871662.db2.gz RIXAKWRGRZRHTC-LLVKDONJSA-N 0 0 332.734 3.198 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598340293 459872147 /nfs/dbraw/zinc/87/21/47/459872147.db2.gz ISTCQPGERPMALR-LLVKDONJSA-N 0 0 330.356 3.338 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598348386 459874058 /nfs/dbraw/zinc/87/40/58/459874058.db2.gz FKJGNXVDTQIRNG-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598350486 459874879 /nfs/dbraw/zinc/87/48/79/459874879.db2.gz MKPMZJUVTGUGIE-DLBZAZTESA-N 0 0 346.358 3.222 10 5 EGBERN Cc1cccc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC000598354638 459876998 /nfs/dbraw/zinc/87/69/98/459876998.db2.gz YBMRGTJDOPFJPI-SJLPKXTDSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598353419 459877375 /nfs/dbraw/zinc/87/73/75/459877375.db2.gz SNDLFUIAHQWDCN-RTBURBONSA-N 0 0 342.395 3.012 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598379017 459883086 /nfs/dbraw/zinc/88/30/86/459883086.db2.gz NCZBXMDOLQURGM-AWEZNQCLSA-N 0 0 345.424 3.316 10 5 EGBERN CSc1cccc(C(=O)N2CCC(c3ccon3)CC2)c1[N+](=O)[O-] ZINC000598399751 459889766 /nfs/dbraw/zinc/88/97/66/459889766.db2.gz SSAARRUFDGOPKY-UHFFFAOYSA-N 0 0 347.396 3.325 10 5 EGBERN C[C@@H](c1cc(F)ccc1F)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587344641 459892562 /nfs/dbraw/zinc/89/25/62/459892562.db2.gz YSCLGAGFNWPLAA-VIFPVBQESA-N 0 0 337.326 3.145 10 5 EGBERN COc1ccc(CC[C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587520859 459892924 /nfs/dbraw/zinc/89/29/24/459892924.db2.gz NVYYHSJVSHUYQF-GFCCVEGCSA-N 0 0 345.399 3.111 10 5 EGBERN CN(CCNc1ccnc2cc([N+](=O)[O-])ccc21)CC(F)(F)F ZINC000593462183 459896837 /nfs/dbraw/zinc/89/68/37/459896837.db2.gz AKDZUOPEWGTKOG-UHFFFAOYSA-N 0 0 328.294 3.049 10 5 EGBERN CSC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000593466049 459898163 /nfs/dbraw/zinc/89/81/63/459898163.db2.gz USRZJMHANLNOHF-UHFFFAOYSA-N 0 0 333.413 3.467 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000609029325 459900875 /nfs/dbraw/zinc/90/08/75/459900875.db2.gz BPHLUWKIBJZQOP-NSHDSACASA-N 0 0 336.417 3.459 10 5 EGBERN CCOc1cccc([C@@H]2C[C@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588012670 459903018 /nfs/dbraw/zinc/90/30/18/459903018.db2.gz YQPIIIUKSZHVCD-DOTOQJQBSA-N 0 0 343.383 3.036 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000602357113 459903548 /nfs/dbraw/zinc/90/35/48/459903548.db2.gz IOEHLVNRBITVGP-DLBZAZTESA-N 0 0 344.411 3.327 10 5 EGBERN CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nc1C ZINC000598467082 459904758 /nfs/dbraw/zinc/90/47/58/459904758.db2.gz OIMFGKSUDQKARU-UHFFFAOYSA-N 0 0 329.356 3.187 10 5 EGBERN CCOC(=O)c1cc(N[C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593493035 459905799 /nfs/dbraw/zinc/90/57/99/459905799.db2.gz UEOKHYATLROQHI-QGZVFWFLSA-N 0 0 348.399 3.389 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CC3)C3CCOCC3)c2c1 ZINC000593492446 459905936 /nfs/dbraw/zinc/90/59/36/459905936.db2.gz NSEHBGLMXWFOMZ-MRXNPFEDSA-N 0 0 328.372 3.155 10 5 EGBERN Cc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609188990 459920269 /nfs/dbraw/zinc/92/02/69/459920269.db2.gz ICFJJIXXFARNQT-UHFFFAOYSA-N 0 0 328.368 3.411 10 5 EGBERN CCOC(=O)C(C)(C)CC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000588160836 459921907 /nfs/dbraw/zinc/92/19/07/459921907.db2.gz SEXKRMAODRXPMA-AWEZNQCLSA-N 0 0 336.388 3.142 10 5 EGBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000598508934 459925987 /nfs/dbraw/zinc/92/59/87/459925987.db2.gz SBEVPDDRHOTDKZ-JQWIXIFHSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@H](O)[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598538363 459933570 /nfs/dbraw/zinc/93/35/70/459933570.db2.gz BHMYDEFHWRJHDZ-GUYCJALGSA-N 0 0 342.395 3.111 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC12CCOCC2 ZINC000618226841 459934175 /nfs/dbraw/zinc/93/41/75/459934175.db2.gz FUQBIHDPRZCROV-UHFFFAOYSA-N 0 0 344.289 3.009 10 5 EGBERN COc1cccc(C(=O)N2CC(Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000618229282 459935832 /nfs/dbraw/zinc/93/58/32/459935832.db2.gz JTUKYXBTMLRGOV-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000598556749 459937997 /nfs/dbraw/zinc/93/79/97/459937997.db2.gz ZAOKEFSXUUPATE-UHFFFAOYSA-N 0 0 326.327 3.495 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)[C@H]1O ZINC000618264733 459946076 /nfs/dbraw/zinc/94/60/76/459946076.db2.gz ARHHKMRNDRMANM-IKDJWVMYSA-N 0 0 334.419 3.477 10 5 EGBERN O=C(c1onc2c1CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597422326 459948024 /nfs/dbraw/zinc/94/80/24/459948024.db2.gz TWXHZXCWFMLYSU-UHFFFAOYSA-N 0 0 341.367 3.266 10 5 EGBERN CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC(F)(F)F ZINC000598581109 459950859 /nfs/dbraw/zinc/95/08/59/459950859.db2.gz JIBSBRDXEXMJGO-UHFFFAOYSA-N 0 0 337.273 3.025 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598610373 459963383 /nfs/dbraw/zinc/96/33/83/459963383.db2.gz ADTQBKBXWBUGII-CQSZACIVSA-N 0 0 338.429 3.022 10 5 EGBERN CCOC(=O)Cc1ccc(NCC[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598638827 459973505 /nfs/dbraw/zinc/97/35/05/459973505.db2.gz PWYBGHIPBNYRBK-NSHDSACASA-N 0 0 328.315 3.158 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598648411 459976211 /nfs/dbraw/zinc/97/62/11/459976211.db2.gz PKMUOMAQEVAURQ-UHFFFAOYSA-N 0 0 344.371 3.279 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC12CCCC2 ZINC000593757843 459976981 /nfs/dbraw/zinc/97/69/81/459976981.db2.gz JLLDLPSMVDLJRG-UHFFFAOYSA-N 0 0 326.356 3.144 10 5 EGBERN CCCc1[nH]nc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c1[N+](=O)[O-] ZINC000593792208 459988395 /nfs/dbraw/zinc/98/83/95/459988395.db2.gz LKSPTLHPTKGBTN-UHFFFAOYSA-N 0 0 346.362 3.348 10 5 EGBERN Cc1ccnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C1CC1 ZINC000598763759 460025443 /nfs/dbraw/zinc/02/54/43/460025443.db2.gz KFJYLTMDWNQLKK-UHFFFAOYSA-N 0 0 341.323 3.157 10 5 EGBERN COCCC1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCCC1 ZINC000614153769 460030435 /nfs/dbraw/zinc/03/04/35/460030435.db2.gz YXJABQUNBJHHGR-UHFFFAOYSA-N 0 0 337.420 3.068 10 5 EGBERN C[C@H](Cc1ccco1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000598802843 460040523 /nfs/dbraw/zinc/04/05/23/460040523.db2.gz GRGAVHHKPHYGIW-LLVKDONJSA-N 0 0 346.339 3.166 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000598801727 460040848 /nfs/dbraw/zinc/04/08/48/460040848.db2.gz NRJUMYLNFNWJNP-JKSUJKDBSA-N 0 0 326.352 3.272 10 5 EGBERN CC(C)(C)n1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000593992790 460044773 /nfs/dbraw/zinc/04/47/73/460044773.db2.gz DZVNSNUDLXOVQH-UHFFFAOYSA-N 0 0 342.399 3.351 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000589187277 460046872 /nfs/dbraw/zinc/04/68/72/460046872.db2.gz UVJBAGSAFLXCJL-OZAOCKQISA-N 0 0 330.306 3.260 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@@H](C)n2cccc2)c([N+](=O)[O-])c1 ZINC000610052232 460056714 /nfs/dbraw/zinc/05/67/14/460056714.db2.gz GEBMJPGBGSLIHA-OAHLLOKOSA-N 0 0 344.415 3.274 10 5 EGBERN CCOC(=O)CCC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618588059 460076149 /nfs/dbraw/zinc/07/61/49/460076149.db2.gz MYMYKCOYJNKEEI-UHFFFAOYSA-N 0 0 346.387 3.031 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594056720 460078663 /nfs/dbraw/zinc/07/86/63/460078663.db2.gz VKDIOZZKKLOYHW-UMSPYCQHSA-N 0 0 337.376 3.071 10 5 EGBERN CO[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000598880884 460081464 /nfs/dbraw/zinc/08/14/64/460081464.db2.gz MDJIQOQQXJLLDW-KRWDZBQOSA-N 0 0 332.400 3.469 10 5 EGBERN CO[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000598880886 460081682 /nfs/dbraw/zinc/08/16/82/460081682.db2.gz MDJIQOQQXJLLDW-QGZVFWFLSA-N 0 0 332.400 3.469 10 5 EGBERN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCCO[C@@H]21 ZINC000610205539 460082056 /nfs/dbraw/zinc/08/20/56/460082056.db2.gz JEUHQRCGRGPYGG-LYRGGWFBSA-N 0 0 343.383 3.010 10 5 EGBERN CCc1nc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000598882292 460082983 /nfs/dbraw/zinc/08/29/83/460082983.db2.gz YJLGTGJQOOQRTO-UHFFFAOYSA-N 0 0 329.356 3.437 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000597862080 460084357 /nfs/dbraw/zinc/08/43/57/460084357.db2.gz ATOJDQSYVPSCMM-NSHDSACASA-N 0 0 333.775 3.106 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CC1(F)F ZINC000598893563 460088271 /nfs/dbraw/zinc/08/82/71/460088271.db2.gz WBRQHNYIXVIFEZ-SECBINFHSA-N 0 0 348.733 3.179 10 5 EGBERN Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC000610233908 460090818 /nfs/dbraw/zinc/09/08/18/460090818.db2.gz HXQLIPHCQLDKMY-INIZCTEOSA-N 0 0 331.397 3.428 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000598938427 460095717 /nfs/dbraw/zinc/09/57/17/460095717.db2.gz DYVFGSPIISDTGJ-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598950400 460099024 /nfs/dbraw/zinc/09/90/24/460099024.db2.gz KYDSLBTVRQSAJS-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN Cc1c(CN2Cc3ccccc3NC(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000598948635 460099309 /nfs/dbraw/zinc/09/93/09/460099309.db2.gz IJGDJFJKARSHLE-CYBMUJFWSA-N 0 0 325.368 3.246 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000597919582 460111414 /nfs/dbraw/zinc/11/14/14/460111414.db2.gz NZHZWFGWUUATKK-NSHDSACASA-N 0 0 348.378 3.079 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597920602 460112474 /nfs/dbraw/zinc/11/24/74/460112474.db2.gz UVZQAFQEHHZZRJ-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000597922852 460114496 /nfs/dbraw/zinc/11/44/96/460114496.db2.gz NPUUINKSRMRXAU-UHFFFAOYSA-N 0 0 344.367 3.363 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000594136976 460121556 /nfs/dbraw/zinc/12/15/56/460121556.db2.gz YAANKJLQZUKZFC-AULYBMBSSA-N 0 0 338.429 3.149 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000594139043 460121671 /nfs/dbraw/zinc/12/16/71/460121671.db2.gz QAAYFJSTMJJPQY-CQSZACIVSA-N 0 0 347.415 3.117 10 5 EGBERN O=[N+]([O-])c1c(NCc2nnc3n2CCCCC3)ccc2cnccc21 ZINC000599016410 460126806 /nfs/dbraw/zinc/12/68/06/460126806.db2.gz SRDGZKPANSEFEE-UHFFFAOYSA-N 0 0 338.371 3.073 10 5 EGBERN C[C@H]1CC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)C1 ZINC000597979880 460134480 /nfs/dbraw/zinc/13/44/80/460134480.db2.gz OWECIGLGMFPZPR-GHMZBOCLSA-N 0 0 334.372 3.126 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594173070 460136756 /nfs/dbraw/zinc/13/67/56/460136756.db2.gz BANXNJOVSBONDS-ZIAGYGMSSA-N 0 0 326.780 3.326 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCCO1 ZINC000594174340 460137653 /nfs/dbraw/zinc/13/76/53/460137653.db2.gz GQSUMEXXDVAODM-HOCLYGCPSA-N 0 0 343.383 3.221 10 5 EGBERN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594174631 460137773 /nfs/dbraw/zinc/13/77/73/460137773.db2.gz NKMWHPRSGKMFSS-LLVKDONJSA-N 0 0 326.343 3.468 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594178997 460138808 /nfs/dbraw/zinc/13/88/08/460138808.db2.gz FQAPKMRRQZIKCS-UONOGXRCSA-N 0 0 326.780 3.326 10 5 EGBERN CSc1cccc(C(=O)N2CCC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000614449439 460143267 /nfs/dbraw/zinc/14/32/67/460143267.db2.gz RQSIAFWIMWVEEI-VIFPVBQESA-N 0 0 346.355 3.161 10 5 EGBERN CN(CCC(=O)OC(C)(C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599059505 460145515 /nfs/dbraw/zinc/14/55/15/460145515.db2.gz XWGCPVIUNQQXRY-UHFFFAOYSA-N 0 0 331.372 3.311 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594202244 460148075 /nfs/dbraw/zinc/14/80/75/460148075.db2.gz FQHRXDQWIVUJQV-CQSZACIVSA-N 0 0 347.415 3.248 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594203551 460149086 /nfs/dbraw/zinc/14/90/86/460149086.db2.gz NNQOQBWWCTUGLZ-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594203308 460149997 /nfs/dbraw/zinc/14/99/97/460149997.db2.gz KSMVYTRPPQUOPX-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@@H](C(=O)NC[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594206212 460151314 /nfs/dbraw/zinc/15/13/14/460151314.db2.gz KKJMXRWSBDCBNC-CZUORRHYSA-N 0 0 332.400 3.306 10 5 EGBERN COc1cc(NCc2cc(C(F)(F)F)on2)c([N+](=O)[O-])cc1F ZINC000599084586 460156034 /nfs/dbraw/zinc/15/60/34/460156034.db2.gz VDPVWTLCNSXRKJ-UHFFFAOYSA-N 0 0 335.213 3.361 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598061916 460157529 /nfs/dbraw/zinc/15/75/29/460157529.db2.gz QZBGHSZFFASKAZ-UHFFFAOYSA-N 0 0 346.427 3.148 10 5 EGBERN Cc1cc(NCC[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599116365 460164476 /nfs/dbraw/zinc/16/44/76/460164476.db2.gz HMMKUUJZCYYJNG-AWEZNQCLSA-N 0 0 342.399 3.011 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599119043 460166323 /nfs/dbraw/zinc/16/63/23/460166323.db2.gz WYYDFMCHMUQXKF-LLVKDONJSA-N 0 0 330.266 3.015 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2Cc3ccccc3CO2)ccc1[N+](=O)[O-] ZINC000599124946 460167854 /nfs/dbraw/zinc/16/78/54/460167854.db2.gz VAWWBWQGZCIYDA-INIZCTEOSA-N 0 0 326.352 3.351 10 5 EGBERN Cc1c(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594241631 460168231 /nfs/dbraw/zinc/16/82/31/460168231.db2.gz FKDPBQKRJPLUAR-IAGOWNOFSA-N 0 0 347.415 3.050 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599134698 460170018 /nfs/dbraw/zinc/17/00/18/460170018.db2.gz NSZKUSCAJZHXDM-NEPJUHHUSA-N 0 0 336.413 3.164 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCC2(OCCO)CCC(F)(F)CC2)c1 ZINC000599140148 460172906 /nfs/dbraw/zinc/17/29/06/460172906.db2.gz XWRIWTNNBKYWHZ-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000610516823 460173014 /nfs/dbraw/zinc/17/30/14/460173014.db2.gz AWZGNCGAKKJADP-ZDUSSCGKSA-N 0 0 342.399 3.344 10 5 EGBERN Cc1cc(NC[C@@H](C)c2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610517080 460173326 /nfs/dbraw/zinc/17/33/26/460173326.db2.gz WDJFGVKNGCLKLK-CYBMUJFWSA-N 0 0 349.394 3.393 10 5 EGBERN CC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCC(F)(F)CC1 ZINC000599144846 460173604 /nfs/dbraw/zinc/17/36/04/460173604.db2.gz NOQJVPPPHHOITK-UHFFFAOYSA-N 0 0 338.314 3.431 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2CC3(C2)CCCO3)c([N+](=O)[O-])c1 ZINC000599144210 460173765 /nfs/dbraw/zinc/17/37/65/460173765.db2.gz JJDKKPXXPVWTKA-UHFFFAOYSA-N 0 0 338.363 3.195 10 5 EGBERN C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526441 460176498 /nfs/dbraw/zinc/17/64/98/460176498.db2.gz MVNGSOAVHYGNMH-STQMWFEESA-N 0 0 345.424 3.390 10 5 EGBERN CCc1nocc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000599165400 460182880 /nfs/dbraw/zinc/18/28/80/460182880.db2.gz RUBMPNXFDQKMPX-UHFFFAOYSA-N 0 0 341.327 3.220 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598136751 460185231 /nfs/dbraw/zinc/18/52/31/460185231.db2.gz FJMRBYRZLUQHMM-CYBMUJFWSA-N 0 0 342.342 3.046 10 5 EGBERN Cc1c(Br)c(N[C@H]2CO[C@@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000599181923 460191225 /nfs/dbraw/zinc/19/12/25/460191225.db2.gz VFVLUXCCOFGPFG-MWLCHTKSSA-N 0 0 342.193 3.040 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610596555 460194225 /nfs/dbraw/zinc/19/42/25/460194225.db2.gz HRPBETKYGAFYIG-KGLIPLIRSA-N 0 0 342.399 3.462 10 5 EGBERN C[C@@H](c1nc([C@@H](C)c2cnccn2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000599194959 460196574 /nfs/dbraw/zinc/19/65/74/460196574.db2.gz NPIXIDHFPCFETM-ZJUUUORDSA-N 0 0 343.318 3.211 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000598211245 460206027 /nfs/dbraw/zinc/20/60/27/460206027.db2.gz DLXAQXWTWVFAKY-LXZKKBNFSA-N 0 0 334.416 3.237 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000598212518 460206192 /nfs/dbraw/zinc/20/61/92/460206192.db2.gz KBXUEGUQGGDGTN-WCQYABFASA-N 0 0 338.429 3.394 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598216445 460207384 /nfs/dbraw/zinc/20/73/84/460207384.db2.gz ZWEUDDOYJQQZGJ-ZYHUDNBSSA-N 0 0 326.780 3.244 10 5 EGBERN CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594410947 460210521 /nfs/dbraw/zinc/21/05/21/460210521.db2.gz NLZCJXFBMPHXEV-GXTWGEPZSA-N 0 0 326.780 3.326 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000598233380 460215181 /nfs/dbraw/zinc/21/51/81/460215181.db2.gz VIKGHJBIUNROFX-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000598234507 460216653 /nfs/dbraw/zinc/21/66/53/460216653.db2.gz ZDJYYOGVFVFZAH-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000610705127 460219404 /nfs/dbraw/zinc/21/94/04/460219404.db2.gz LQVFUKKPVYWVQW-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000610719366 460225117 /nfs/dbraw/zinc/22/51/17/460225117.db2.gz UUOXSJSJWUBWTM-INIZCTEOSA-N 0 0 349.431 3.032 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000614869759 460236165 /nfs/dbraw/zinc/23/61/65/460236165.db2.gz YFQMYDGFUKZDKV-AWEZNQCLSA-N 0 0 346.305 3.087 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000614897701 460242685 /nfs/dbraw/zinc/24/26/85/460242685.db2.gz UBVKOPTUEMYNSH-UHFFFAOYSA-N 0 0 334.294 3.454 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000610865613 460251415 /nfs/dbraw/zinc/25/14/15/460251415.db2.gz BVOPWZVHDRYHPG-SNVBAGLBSA-N 0 0 346.314 3.012 10 5 EGBERN Cc1cccc(CC2CN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC000610924205 460261129 /nfs/dbraw/zinc/26/11/29/460261129.db2.gz ZCARADPVEDWEEC-UHFFFAOYSA-N 0 0 342.399 3.064 10 5 EGBERN CNc1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000611087559 460287517 /nfs/dbraw/zinc/28/75/17/460287517.db2.gz TWPCOAQJPYBARU-UHFFFAOYSA-N 0 0 348.428 3.186 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000615198694 460291636 /nfs/dbraw/zinc/29/16/36/460291636.db2.gz MXTGJLBRJCAAOO-ZDUSSCGKSA-N 0 0 346.305 3.122 10 5 EGBERN O=C(CN1CCCC2(CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599672225 460303837 /nfs/dbraw/zinc/30/38/37/460303837.db2.gz COHIBXZFIHOHMS-UHFFFAOYSA-N 0 0 337.807 3.453 10 5 EGBERN CC[C@@H](C)c1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000599825850 460342659 /nfs/dbraw/zinc/34/26/59/460342659.db2.gz RMOKBEOBHTTXPQ-GFCCVEGCSA-N 0 0 331.376 3.127 10 5 EGBERN C[C@H]1N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOC1(C)C ZINC000599831245 460344067 /nfs/dbraw/zinc/34/40/67/460344067.db2.gz JPSNNMDHDNBCTB-LLVKDONJSA-N 0 0 344.371 3.174 10 5 EGBERN O=C(NCC1(C2CC2)CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832256 460344121 /nfs/dbraw/zinc/34/41/21/460344121.db2.gz UCLLQIAMTPJYBS-UHFFFAOYSA-N 0 0 326.356 3.455 10 5 EGBERN CC(C)O[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599835424 460345430 /nfs/dbraw/zinc/34/54/30/460345430.db2.gz WJKWIGASXCJFKP-GFCCVEGCSA-N 0 0 344.371 3.174 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835369 460345523 /nfs/dbraw/zinc/34/55/23/460345523.db2.gz VAGMWNDKPRGBHD-ABAIWWIYSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619500763 460370694 /nfs/dbraw/zinc/37/06/94/460370694.db2.gz QIWFYOFNPCQIBU-KCJUWKMLSA-N 0 0 326.278 3.315 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1F ZINC000611494463 460376647 /nfs/dbraw/zinc/37/66/47/460376647.db2.gz RFJRIXSIPIWGKW-WFASDCNBSA-N 0 0 335.379 3.015 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000619638925 460400648 /nfs/dbraw/zinc/40/06/48/460400648.db2.gz NDYDXIBBAAJPMP-ZYHUDNBSSA-N 0 0 325.340 3.205 10 5 EGBERN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000611567134 460400882 /nfs/dbraw/zinc/40/08/82/460400882.db2.gz IRDGTIMERNPBKA-CQSZACIVSA-N 0 0 343.387 3.042 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600162638 460413736 /nfs/dbraw/zinc/41/37/36/460413736.db2.gz UGUXDZOGLOBEHH-JFGNBEQYSA-N 0 0 340.326 3.362 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)nc1 ZINC000604556590 460445907 /nfs/dbraw/zinc/44/59/07/460445907.db2.gz XINYKLYROMQSJL-HNNXBMFYSA-N 0 0 347.378 3.416 10 5 EGBERN CCC(NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)(C1CC1)C1CC1 ZINC000600245403 460457088 /nfs/dbraw/zinc/45/70/88/460457088.db2.gz KPRLLHPLDAYFMQ-UHFFFAOYSA-N 0 0 332.400 3.367 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccn1)C1CCC1 ZINC000600301290 460466737 /nfs/dbraw/zinc/46/67/37/460466737.db2.gz JDSBFSMJXXSWHV-SFHVURJKSA-N 0 0 341.367 3.026 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000600305608 460468710 /nfs/dbraw/zinc/46/87/10/460468710.db2.gz SYRUYRMKSSOYEU-HNNXBMFYSA-N 0 0 346.427 3.381 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOCC2(CC2)C1 ZINC000611814956 460469626 /nfs/dbraw/zinc/46/96/26/460469626.db2.gz HQIOXLXBYUVPJO-UHFFFAOYSA-N 0 0 332.381 3.062 10 5 EGBERN C[C@H](C(=O)N[C@@]1(CO)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600362280 460481987 /nfs/dbraw/zinc/48/19/87/460481987.db2.gz LYHSIOHMSVWCTM-UGSOOPFHSA-N 0 0 334.416 3.146 10 5 EGBERN CCCOc1cncc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000600365384 460483762 /nfs/dbraw/zinc/48/37/62/460483762.db2.gz HFPOERQBEYVZRP-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN C[C@H](C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600370335 460485630 /nfs/dbraw/zinc/48/56/30/460485630.db2.gz OMHMHVCTROCPAW-NSHDSACASA-N 0 0 332.331 3.132 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000600386667 460487707 /nfs/dbraw/zinc/48/77/07/460487707.db2.gz HRQYAWGQSSIKTE-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000600442382 460496222 /nfs/dbraw/zinc/49/62/22/460496222.db2.gz YVQSDPVHSURXMQ-NWDGAFQWSA-N 0 0 334.422 3.421 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000600478739 460503333 /nfs/dbraw/zinc/50/33/33/460503333.db2.gz QRZIVNYYEOSMMF-MORSLUCNSA-N 0 0 342.782 3.245 10 5 EGBERN C[C@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000600501349 460506249 /nfs/dbraw/zinc/50/62/49/460506249.db2.gz VIQFCSUQCUPPAA-UOIKSKOESA-N 0 0 331.416 3.339 10 5 EGBERN COC(=O)[C@](C)(NC(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600525300 460511495 /nfs/dbraw/zinc/51/14/95/460511495.db2.gz BNOQGOZOSVKTJS-GOSISDBHSA-N 0 0 348.399 3.070 10 5 EGBERN O=[N+]([O-])c1nn(Cc2ccccc2OC2CC2)cc1Br ZINC000600520225 460511972 /nfs/dbraw/zinc/51/19/72/460511972.db2.gz HGRPILCGPYDDHB-UHFFFAOYSA-N 0 0 338.161 3.143 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1ccc(CC)cc1[N+](=O)[O-] ZINC000600528663 460513472 /nfs/dbraw/zinc/51/34/72/460513472.db2.gz HSRSNBLUYWVZMO-UHFFFAOYSA-N 0 0 348.321 3.337 10 5 EGBERN CC1(C)C[C@H](SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000600573317 460528693 /nfs/dbraw/zinc/52/86/93/460528693.db2.gz HABLUXZQPVWMFU-JTQLQIEISA-N 0 0 344.820 3.487 10 5 EGBERN CCc1ccc([C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CCO2)cc1 ZINC000601153269 460733542 /nfs/dbraw/zinc/73/35/42/460733542.db2.gz WEPVSQCZIRYXKM-INIZCTEOSA-N 0 0 331.347 3.269 10 5 EGBERN CNC(=O)c1ccc(N2CC(C)(C)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000601210444 460751764 /nfs/dbraw/zinc/75/17/64/460751764.db2.gz QMZZRQLWEAYZFH-OAHLLOKOSA-N 0 0 329.356 3.135 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(Cc2nccs2)CC1 ZINC000601216856 460754237 /nfs/dbraw/zinc/75/42/37/460754237.db2.gz WWNWDJVXPJGQSP-UHFFFAOYSA-N 0 0 335.433 3.035 10 5 EGBERN COC(=O)c1cc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000601251782 460765182 /nfs/dbraw/zinc/76/51/82/460765182.db2.gz HSZRGDQOEFJUAV-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN CCc1cnccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601414836 460808484 /nfs/dbraw/zinc/80/84/84/460808484.db2.gz KHBVXZOICSMSAR-UHFFFAOYSA-N 0 0 339.395 3.290 10 5 EGBERN O=C(N1CCC[C@]2(CCOC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601627130 460851153 /nfs/dbraw/zinc/85/11/53/460851153.db2.gz QTOTYYYPBPAACD-SFHVURJKSA-N 0 0 344.411 3.046 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000601653557 460858291 /nfs/dbraw/zinc/85/82/91/460858291.db2.gz FXPKNOOTBSWXRI-MRXNPFEDSA-N 0 0 325.368 3.318 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601659704 460859982 /nfs/dbraw/zinc/85/99/82/460859982.db2.gz RTABMXJBEOLISG-GRYCIOLGSA-N 0 0 331.294 3.296 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000601675514 460865445 /nfs/dbraw/zinc/86/54/45/460865445.db2.gz MVESLNMOZAVAMA-INIZCTEOSA-N 0 0 341.342 3.496 10 5 EGBERN CC[C@H](NC(=O)NCCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000613218542 460870611 /nfs/dbraw/zinc/87/06/11/460870611.db2.gz VYTQLEBYNRCYDO-INIZCTEOSA-N 0 0 335.404 3.162 10 5 EGBERN CNc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000601701670 460876945 /nfs/dbraw/zinc/87/69/45/460876945.db2.gz WPNQWFSNJRXFNR-OAHLLOKOSA-N 0 0 329.356 3.453 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601767289 460892988 /nfs/dbraw/zinc/89/29/88/460892988.db2.gz LXNIFYMLDYGSQC-WCABBAIRSA-N 0 0 344.820 3.022 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000601771298 460894273 /nfs/dbraw/zinc/89/42/73/460894273.db2.gz SDDNOIWDMSLXDY-COPLHBTASA-N 0 0 338.429 3.393 10 5 EGBERN C[C@@H](CC1CCCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775511 460895115 /nfs/dbraw/zinc/89/51/15/460895115.db2.gz FHZQKQOMMLFWGD-SCLBCKFNSA-N 0 0 334.416 3.135 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000601882564 460935634 /nfs/dbraw/zinc/93/56/34/460935634.db2.gz HPCGKDYNLNFWBV-IRXDYDNUSA-N 0 0 343.383 3.154 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000617697354 460958445 /nfs/dbraw/zinc/95/84/45/460958445.db2.gz HIYXDLIHCQGGAQ-NSHDSACASA-N 0 0 342.351 3.432 10 5 EGBERN C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000610774033 469069337 /nfs/dbraw/zinc/06/93/37/469069337.db2.gz UCSJYDJJLZKHEK-GFCCVEGCSA-N 0 0 337.339 3.048 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000191324978 534055429 /nfs/dbraw/zinc/05/54/29/534055429.db2.gz QOPNGFNKZZEVMC-KBXCAEBGSA-N 0 0 347.415 3.371 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000375123969 518074641 /nfs/dbraw/zinc/07/46/41/518074641.db2.gz JPKIZGCUUOPEMY-OAHLLOKOSA-N 0 0 334.416 3.111 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153822868 534777812 /nfs/dbraw/zinc/77/78/12/534777812.db2.gz BRJCWIFTKDWADQ-HNNXBMFYSA-N 0 0 343.387 3.105 10 5 EGBERN CC(C)(C)c1nc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000348158362 534902377 /nfs/dbraw/zinc/90/23/77/534902377.db2.gz HFKCDCARFWYAAW-UHFFFAOYSA-N 0 0 340.426 3.323 10 5 EGBERN CCOC(=O)c1csc(CCNc2ccc([N+](=O)[O-])cc2C)n1 ZINC000190210152 528338629 /nfs/dbraw/zinc/33/86/29/528338629.db2.gz LBCPCNORLQYVCK-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000374567728 535241174 /nfs/dbraw/zinc/24/11/74/535241174.db2.gz ZALSTXNRRHOLEU-UHFFFAOYSA-N 0 0 327.340 3.090 10 5 EGBERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000124559297 536194923 /nfs/dbraw/zinc/19/49/23/536194923.db2.gz NTYKERSLEADJQD-ZYHUDNBSSA-N 0 0 332.360 3.087 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2c2cc(C)on2)cc(C)c1[N+](=O)[O-] ZINC000363859950 536513313 /nfs/dbraw/zinc/51/33/13/536513313.db2.gz ZBRJUZMDAAPAJX-HNNXBMFYSA-N 0 0 345.355 3.328 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000248257042 536897804 /nfs/dbraw/zinc/89/78/04/536897804.db2.gz OWDRUITZQVQLHO-VIFPVBQESA-N 0 0 336.369 3.165 10 5 EGBERN COc1cccc(C[C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000353134590 537114772 /nfs/dbraw/zinc/11/47/72/537114772.db2.gz CWJMELWBFMQZFA-SNVBAGLBSA-N 0 0 332.385 3.356 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000353703281 547697079 /nfs/dbraw/zinc/69/70/79/547697079.db2.gz YJTTVWPYFYKQDG-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1C[C@H](O)CC(F)(F)C1 ZINC000682587156 550118250 /nfs/dbraw/zinc/11/82/50/550118250.db2.gz NKWVKAKBBDROFB-CYBMUJFWSA-N 0 0 342.345 3.230 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H](O)CC(F)(F)C1 ZINC000682587160 550118402 /nfs/dbraw/zinc/11/84/02/550118402.db2.gz NKWVKAKBBDROFB-ZDUSSCGKSA-N 0 0 342.345 3.230 10 5 EGBERN Cc1nn(CCC(=O)O[C@@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000726733131 574568603 /nfs/dbraw/zinc/56/86/03/574568603.db2.gz ZJAASTPVYNIPTO-OAHLLOKOSA-N 0 0 329.356 3.029 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000728288723 574736232 /nfs/dbraw/zinc/73/62/32/574736232.db2.gz BBAGCLAWZFHWGC-MRVPVSSYSA-N 0 0 344.298 3.346 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cn2c(cccc2C)n1 ZINC000730042490 574911569 /nfs/dbraw/zinc/91/15/69/574911569.db2.gz YCEZXTSBHILNCT-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN O=C(c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000592000820 574954137 /nfs/dbraw/zinc/95/41/37/574954137.db2.gz CORHLJWNVUZUAI-MGPQQGTHSA-N 0 0 329.400 3.431 10 5 EGBERN O=C(OC[C@@H]1CCSC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000762133670 575006105 /nfs/dbraw/zinc/00/61/05/575006105.db2.gz ATGOBMRUEDPNPO-QMMMGPOBSA-N 0 0 346.202 3.267 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731528632 575079232 /nfs/dbraw/zinc/07/92/32/575079232.db2.gz FCBSDWHQLCUKSF-UHFFFAOYSA-N 0 0 326.261 3.061 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731977361 575228712 /nfs/dbraw/zinc/22/87/12/575228712.db2.gz JFIOIURLQMWVAE-XYOKQWHBSA-N 0 0 344.342 3.462 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000732582214 575278444 /nfs/dbraw/zinc/27/84/44/575278444.db2.gz QBSVXSPGMJVZJJ-AWEZNQCLSA-N 0 0 329.352 3.396 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733096557 575308172 /nfs/dbraw/zinc/30/81/72/575308172.db2.gz HDETWZHWQXPQMH-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2F)C[C@H](C)O1 ZINC000735487187 575668654 /nfs/dbraw/zinc/66/86/54/575668654.db2.gz RPCGOTQNWATYRX-TXEJJXNPSA-N 0 0 346.362 3.486 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])OCCCc1ccc(F)cc1 ZINC000735605894 575688588 /nfs/dbraw/zinc/68/85/88/575688588.db2.gz FKFZAOVMGGUYHC-UHFFFAOYSA-N 0 0 333.315 3.289 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccc(O)c(F)c2)c([N+](=O)[O-])c1 ZINC000737430403 576228159 /nfs/dbraw/zinc/22/81/59/576228159.db2.gz RKJRVJZSLBABBD-DAXSKMNVSA-N 0 0 346.314 3.238 10 5 EGBERN Cc1cn(CN2CCCCC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738225524 576301911 /nfs/dbraw/zinc/30/19/11/576301911.db2.gz FXNHCPZLWSYRQG-AWEZNQCLSA-N 0 0 344.415 3.078 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000741603226 576704669 /nfs/dbraw/zinc/70/46/69/576704669.db2.gz HFQBAFJEZADCCB-FUHWJXTLSA-N 0 0 344.342 3.203 10 5 EGBERN CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)s1 ZINC000742419044 576782239 /nfs/dbraw/zinc/78/22/39/576782239.db2.gz PHSLLIIZOWBUTP-UHFFFAOYSA-N 0 0 336.392 3.079 10 5 EGBERN C[C@@H](OC(=O)CCCOc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000744068294 576819856 /nfs/dbraw/zinc/81/98/56/576819856.db2.gz CNEANDNSWWYBFY-CYBMUJFWSA-N 0 0 330.340 3.453 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccncc1 ZINC000013053418 1291135708 /nfs/dbraw/zinc/13/57/08/1291135708.db2.gz VTXFBZPVEMGAHK-RJRFIUFISA-N 0 0 335.266 3.243 10 5 EGBERN Cc1ccc(-c2noc(COC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000025110150 1291253217 /nfs/dbraw/zinc/25/32/17/1291253217.db2.gz DFUQXDCLEDLOGN-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN COc1ncccc1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834194 1292746858 /nfs/dbraw/zinc/74/68/58/1292746858.db2.gz DUCMIZZTWWGDIA-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1-n1cnnn1 ZINC000122599151 1293418711 /nfs/dbraw/zinc/41/87/11/1293418711.db2.gz PMGQIVXPYFUGLI-UHFFFAOYSA-N 0 0 344.762 3.144 10 5 EGBERN Cc1cncc(/C=C/C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000130647496 1293664082 /nfs/dbraw/zinc/66/40/82/1293664082.db2.gz IAVRTMAUQKUAFX-JXMROGBWSA-N 0 0 339.395 3.451 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000152403720 1293967459 /nfs/dbraw/zinc/96/74/59/1293967459.db2.gz REPKKSVNBGZYJZ-LLVKDONJSA-N 0 0 332.331 3.143 10 5 EGBERN CCO[C@@H]1COCC[C@H]1CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000869959972 1295562202 /nfs/dbraw/zinc/56/22/02/1295562202.db2.gz IXTSMRMHIDRPPW-DVOMOZLQSA-N 0 0 337.372 3.031 10 5 EGBERN C[C@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000869991590 1295583556 /nfs/dbraw/zinc/58/35/56/1295583556.db2.gz USAQAQBCAUXROH-NSHDSACASA-N 0 0 328.324 3.009 10 5 EGBERN CC(C)(COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)n1cccn1 ZINC000870471838 1295893816 /nfs/dbraw/zinc/89/38/16/1295893816.db2.gz JTSIDCGEHKBKQO-UHFFFAOYSA-N 0 0 343.383 3.192 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870524506 1295925603 /nfs/dbraw/zinc/92/56/03/1295925603.db2.gz SXOLTAGPUWTJET-UHFFFAOYSA-N 0 0 340.379 3.247 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](OC)CC[C@H]1C ZINC000870720003 1296043182 /nfs/dbraw/zinc/04/31/82/1296043182.db2.gz KZEZXWMKLUPZNE-YPMHNXCESA-N 0 0 338.429 3.346 10 5 EGBERN CC(C)=C[C@H]1[C@@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000870826998 1296104266 /nfs/dbraw/zinc/10/42/66/1296104266.db2.gz RPXOCXAUUWTLTH-MOQPVCNJSA-N 0 0 333.388 3.276 10 5 EGBERN O=C(NCC1CCC2(CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000871015225 1296177515 /nfs/dbraw/zinc/17/75/15/1296177515.db2.gz ZFDOYLXGQNTZCS-UHFFFAOYSA-N 0 0 346.383 3.066 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000871038991 1296190913 /nfs/dbraw/zinc/19/09/13/1296190913.db2.gz QJEMRNHCHHOIDH-ZDUSSCGKSA-N 0 0 338.429 3.398 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000871201939 1296270808 /nfs/dbraw/zinc/27/08/08/1296270808.db2.gz XUCLVYOPYOVDJO-XMMJMSBPSA-N 0 0 344.411 3.150 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000871309737 1296339232 /nfs/dbraw/zinc/33/92/32/1296339232.db2.gz JSFIZUWIUJITHM-PBHICJAKSA-N 0 0 332.400 3.147 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000871335220 1296358338 /nfs/dbraw/zinc/35/83/38/1296358338.db2.gz GIGAKISTHWJFHU-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871338805 1296360761 /nfs/dbraw/zinc/36/07/61/1296360761.db2.gz SPLYJZMLHBVXRI-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871338756 1296361078 /nfs/dbraw/zinc/36/10/78/1296361078.db2.gz RIKOFOCBBQEJLR-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN CC(C)(CCC(=O)NCC(=O)c1ccc(F)c2ccccc12)[N+](=O)[O-] ZINC000871481787 1296411446 /nfs/dbraw/zinc/41/14/46/1296411446.db2.gz ORRTWWISMZVPDF-UHFFFAOYSA-N 0 0 346.358 3.113 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000871575145 1296437273 /nfs/dbraw/zinc/43/72/73/1296437273.db2.gz PUVFYXNCSMAPBD-LLVKDONJSA-N 0 0 338.791 3.185 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CS[C@@H]1CCN(C(C)(C)C)C1=O ZINC000871709714 1296495217 /nfs/dbraw/zinc/49/52/17/1296495217.db2.gz FQIYMVDFGBCBBV-CQSZACIVSA-N 0 0 338.429 3.236 10 5 EGBERN COc1ccccc1[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046280 1296697654 /nfs/dbraw/zinc/69/76/54/1296697654.db2.gz WAXCRAJXYWVILD-RISCZKNCSA-N 0 0 334.347 3.127 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000872754217 1297093651 /nfs/dbraw/zinc/09/36/51/1297093651.db2.gz YIJIWVNOXOBSHJ-LKFCYVNXSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000312200468 1297115514 /nfs/dbraw/zinc/11/55/14/1297115514.db2.gz CTSNBPXZSPNHGW-SECBINFHSA-N 0 0 342.193 3.015 10 5 EGBERN CN(CC(=O)O[C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000873578958 1297604435 /nfs/dbraw/zinc/60/44/35/1297604435.db2.gz XFFCYMRSBJIPBL-CQSZACIVSA-N 0 0 348.399 3.066 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])O[C@@H]1CCOC2(CCCC2)C1 ZINC000873581275 1297605815 /nfs/dbraw/zinc/60/58/15/1297605815.db2.gz QNYYXQRKUQVHCB-CQSZACIVSA-N 0 0 348.399 3.432 10 5 EGBERN CC[C@@H](CCc1cccnc1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000873587736 1297614311 /nfs/dbraw/zinc/61/43/11/1297614311.db2.gz HHHOZNJKQXWYKV-KRWDZBQOSA-N 0 0 328.368 3.487 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000875250502 1298273843 /nfs/dbraw/zinc/27/38/43/1298273843.db2.gz HVCZCXWMFULIQT-GHMZBOCLSA-N 0 0 338.335 3.040 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](COC)C1 ZINC000882096641 1301826955 /nfs/dbraw/zinc/82/69/55/1301826955.db2.gz YYRHRILWQUSOAQ-TXEJJXNPSA-N 0 0 338.429 3.252 10 5 EGBERN CC(=O)c1c(N(C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000882311843 1301917647 /nfs/dbraw/zinc/91/76/47/1301917647.db2.gz FKPNGUPBIZHVPK-UHFFFAOYSA-N 0 0 328.372 3.347 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCOC(C2CC2)(C2CC2)C1 ZINC000882630769 1302039614 /nfs/dbraw/zinc/03/96/14/1302039614.db2.gz UTGQXFCWXOARGI-UHFFFAOYSA-N 0 0 330.384 3.193 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000882718647 1302076253 /nfs/dbraw/zinc/07/62/53/1302076253.db2.gz KZRXZNNUUWTACD-RNCFNFMXSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000883668722 1302544054 /nfs/dbraw/zinc/54/40/54/1302544054.db2.gz IISMFTBZUOISQI-WFASDCNBSA-N 0 0 335.404 3.160 10 5 EGBERN CC(=O)N1CC[C@@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)C1 ZINC000887281286 1303731219 /nfs/dbraw/zinc/73/12/19/1303731219.db2.gz UQKUTZDIEBAMRL-CYBMUJFWSA-N 0 0 331.397 3.363 10 5 EGBERN C/C(=C/C(=O)N[C@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000890414961 1304780619 /nfs/dbraw/zinc/78/06/19/1304780619.db2.gz KJFDTKPNXKYBQN-AHKFDXCISA-N 0 0 330.384 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccn(C(F)F)n2)c1C ZINC000893116789 1305715431 /nfs/dbraw/zinc/71/54/31/1305715431.db2.gz XQFFHIDULGCVEF-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN C[C@@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000893510235 1305940271 /nfs/dbraw/zinc/94/02/71/1305940271.db2.gz AQFMQKBDPLEZOJ-SUMWQHHRSA-N 0 0 349.383 3.306 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCn2c(C)cnc21 ZINC000893525225 1305950803 /nfs/dbraw/zinc/95/08/03/1305950803.db2.gz XBTGSRQQCRFUQJ-KLQCNHIUSA-N 0 0 327.340 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1c2ccccc2CC[C@H]1F ZINC000893724581 1306050419 /nfs/dbraw/zinc/05/04/19/1306050419.db2.gz PJHSVABKYLOVPO-PBHICJAKSA-N 0 0 347.346 3.059 10 5 EGBERN Cn1c(C(=O)N2CCCSC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000893773138 1306071747 /nfs/dbraw/zinc/07/17/47/1306071747.db2.gz GEVZTFMQNMRSHI-OAHLLOKOSA-N 0 0 345.424 3.254 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894281261 1306319138 /nfs/dbraw/zinc/31/91/38/1306319138.db2.gz SPUKOSIWJPNXSA-SNVBAGLBSA-N 0 0 347.396 3.257 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894402631 1308856026 /nfs/dbraw/zinc/85/60/26/1308856026.db2.gz PJNRPBDZZSAEQX-NVXWUHKLSA-N 0 0 346.427 3.239 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894706457 1309030485 /nfs/dbraw/zinc/03/04/85/1309030485.db2.gz XFCVXVDNWLWAMR-RYRKJORJSA-N 0 0 346.427 3.191 10 5 EGBERN COC(=O)C[C@@H](NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CCCC1 ZINC000894814177 1309084927 /nfs/dbraw/zinc/08/49/27/1309084927.db2.gz UVDKWQNEYVXPHP-CQSZACIVSA-N 0 0 348.399 3.063 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000895356955 1309298583 /nfs/dbraw/zinc/29/85/83/1309298583.db2.gz APJIRCYSTHJUCG-UHFFFAOYSA-N 0 0 345.218 3.481 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000895446016 1309340825 /nfs/dbraw/zinc/34/08/25/1309340825.db2.gz NXBHLRCLJYOHBQ-GXFFZTMASA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895842874 1309550791 /nfs/dbraw/zinc/55/07/91/1309550791.db2.gz GGTHPKDNSCMSPU-FZMZJTMJSA-N 0 0 342.342 3.197 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC000896088207 1309693617 /nfs/dbraw/zinc/69/36/17/1309693617.db2.gz PXZOXSGGQVPDCC-QPUJVOFHSA-N 0 0 343.305 3.097 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC000896090950 1309695235 /nfs/dbraw/zinc/69/52/35/1309695235.db2.gz NQKZHZFREYHKNT-CAHLUQPWSA-N 0 0 340.099 3.363 10 5 EGBERN CC(=O)c1cc(NCC[C@@H](NC2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000897229248 1310232069 /nfs/dbraw/zinc/23/20/69/1310232069.db2.gz SDTALQFXRJXVMK-CQSZACIVSA-N 0 0 345.321 3.282 10 5 EGBERN CC(=O)c1cc(NCc2cc(C(F)(F)F)n(C)n2)ccc1[N+](=O)[O-] ZINC000897238320 1310237346 /nfs/dbraw/zinc/23/73/46/1310237346.db2.gz OPOWMQUSZKGVCT-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](OC(F)F)C2)c1C ZINC000897352952 1310303450 /nfs/dbraw/zinc/30/34/50/1310303450.db2.gz AGNNKJMCRTWDSL-LLVKDONJSA-N 0 0 328.315 3.055 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000897563559 1310382374 /nfs/dbraw/zinc/38/23/74/1310382374.db2.gz WWPYDGZRNYFUGA-HUUCEWRRSA-N 0 0 332.400 3.440 10 5 EGBERN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898394872 1310708991 /nfs/dbraw/zinc/70/89/91/1310708991.db2.gz PUFWGWBIKWKBGF-STQMWFEESA-N 0 0 342.399 3.109 10 5 EGBERN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898401865 1310715592 /nfs/dbraw/zinc/71/55/92/1310715592.db2.gz UIKHKELPXSWEOJ-JTQLQIEISA-N 0 0 348.790 3.272 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1C ZINC000899019290 1310913270 /nfs/dbraw/zinc/91/32/70/1310913270.db2.gz HNICTLLYLQHNGP-QLJPJBMISA-N 0 0 342.342 3.096 10 5 EGBERN O=C(C[C@@H]1CCC(F)(F)C1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000857636143 1328571145 /nfs/dbraw/zinc/57/11/45/1328571145.db2.gz GCVCOYXPDJYVKF-QMMMGPOBSA-N 0 0 330.243 3.234 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@@H]2CC2(Cl)Cl)c1F ZINC000857686161 1328584494 /nfs/dbraw/zinc/58/44/94/1328584494.db2.gz SCFUJGOSAYDEOB-MRVPVSSYSA-N 0 0 335.162 3.356 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cn3c(n2)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000857938972 1328633926 /nfs/dbraw/zinc/63/39/26/1328633926.db2.gz LABZGJPXNHHWOV-YPMHNXCESA-N 0 0 342.399 3.173 10 5 EGBERN Cc1cnc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])c1 ZINC000858008228 1328655272 /nfs/dbraw/zinc/65/52/72/1328655272.db2.gz BNZVSJJDRKBAIP-HNNXBMFYSA-N 0 0 340.383 3.228 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000899413341 1317024722 /nfs/dbraw/zinc/02/47/22/1317024722.db2.gz FVXUVRLXDNTGTF-XQHKEYJVSA-N 0 0 348.399 3.024 10 5 EGBERN Cc1csc(C[C@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)n1 ZINC000899549121 1317084938 /nfs/dbraw/zinc/08/49/38/1317084938.db2.gz WARQNOMYVFJTOD-CYBMUJFWSA-N 0 0 339.461 3.068 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929872419 1328725755 /nfs/dbraw/zinc/72/57/55/1328725755.db2.gz WAQLWJMZZXWALO-LSDHHAIUSA-N 0 0 345.786 3.405 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930074037 1328778735 /nfs/dbraw/zinc/77/87/35/1328778735.db2.gz JGEGDNLIINBNHY-WCQYABFASA-N 0 0 346.305 3.053 10 5 EGBERN Cn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160467 1328801019 /nfs/dbraw/zinc/80/10/19/1328801019.db2.gz PVQKYJINGPBIRT-AWEZNQCLSA-N 0 0 349.778 3.351 10 5 EGBERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385137 1319020302 /nfs/dbraw/zinc/02/03/02/1319020302.db2.gz QSRZYUIBQNYGAU-KCJUWKMLSA-N 0 0 342.754 3.009 10 5 EGBERN O=C(CC(F)(F)C(F)F)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385716 1319021412 /nfs/dbraw/zinc/02/14/12/1319021412.db2.gz BWBAAPPUGYQPBY-UHFFFAOYSA-N 0 0 346.639 3.294 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CC1(Cl)Cl ZINC000913386932 1319021246 /nfs/dbraw/zinc/02/12/46/1319021246.db2.gz KSGNQGMWUGSMMY-ZCFIWIBFSA-N 0 0 341.553 3.197 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000913588487 1319065367 /nfs/dbraw/zinc/06/53/67/1319065367.db2.gz JNWKCHUWZLPDJJ-SNVBAGLBSA-N 0 0 346.412 3.189 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000913595807 1319068587 /nfs/dbraw/zinc/06/85/87/1319068587.db2.gz BIGQWPOQNPBYRM-LLVKDONJSA-N 0 0 342.399 3.375 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](c3cc(C)ccn3)C2)c1 ZINC000858615328 1328811291 /nfs/dbraw/zinc/81/12/91/1328811291.db2.gz SDYCCPQLSBZENW-LBPRGKRZSA-N 0 0 331.347 3.440 10 5 EGBERN O=C(OCc1ccccc1[N+](=O)[O-])c1coc(Br)c1 ZINC000914583768 1319349466 /nfs/dbraw/zinc/34/94/66/1319349466.db2.gz LINBSUDBPZSFTA-UHFFFAOYSA-N 0 0 326.102 3.307 10 5 EGBERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000915129797 1319430222 /nfs/dbraw/zinc/43/02/22/1319430222.db2.gz OMKQOPPMNZPFCZ-ZBEGNZNMSA-N 0 0 340.335 3.409 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1csc(C(C)(C)C)n1 ZINC000915234125 1319450249 /nfs/dbraw/zinc/45/02/49/1319450249.db2.gz JMTWRASCABRJGH-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN CCCCc1nc(COC(=O)c2cc([N+](=O)[O-])cnc2C)cs1 ZINC000915234962 1319450315 /nfs/dbraw/zinc/45/03/15/1319450315.db2.gz UTKOPBGADWDWGL-UHFFFAOYSA-N 0 0 335.385 3.454 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000858689667 1328830671 /nfs/dbraw/zinc/83/06/71/1328830671.db2.gz IPFXYQQKKCCGHS-SECBINFHSA-N 0 0 341.161 3.031 10 5 EGBERN Cn1c(C(=O)OCc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000915381874 1319478004 /nfs/dbraw/zinc/47/80/04/1319478004.db2.gz JVQGUIKCRCZAEI-UHFFFAOYSA-N 0 0 345.174 3.114 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SCCO[C@H]3CCOC3)sc2c1 ZINC000915675043 1319516666 /nfs/dbraw/zinc/51/66/66/1319516666.db2.gz VFRFHCDHMXOPDT-JTQLQIEISA-N 0 0 326.399 3.102 10 5 EGBERN CN1C(=O)c2ccccc2/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000916141143 1319606829 /nfs/dbraw/zinc/60/68/29/1319606829.db2.gz BHMDPOQJWIWIHL-MDWZMJQESA-N 0 0 342.738 3.401 10 5 EGBERN C[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)CN1C(=O)OC(C)(C)C ZINC000858779858 1328858757 /nfs/dbraw/zinc/85/87/57/1328858757.db2.gz DTIYFJNORIDOHQ-VHSXEESVSA-N 0 0 342.421 3.251 10 5 EGBERN Cc1ccnc(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000858845632 1328875234 /nfs/dbraw/zinc/87/52/34/1328875234.db2.gz NZORQGGVWDAZDP-NEPJUHHUSA-N 0 0 336.392 3.108 10 5 EGBERN Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000858845099 1328873991 /nfs/dbraw/zinc/87/39/91/1328873991.db2.gz DSUSHOYOHCYKQF-NEPJUHHUSA-N 0 0 336.392 3.108 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)OC(C)(C)C ZINC000859280587 1328959995 /nfs/dbraw/zinc/95/99/95/1328959995.db2.gz DHOOOENVJSMWHS-NSHDSACASA-N 0 0 344.367 3.208 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000859380971 1328979156 /nfs/dbraw/zinc/97/91/56/1328979156.db2.gz BBQSMGNWMPFQKV-QGZVFWFLSA-N 0 0 338.379 3.430 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cccnc1N1CCCC1 ZINC000919002445 1322019018 /nfs/dbraw/zinc/01/90/18/1322019018.db2.gz XPBXIRUFZXJZJF-UHFFFAOYSA-N 0 0 333.369 3.009 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cncn1-c1ccc(F)cc1 ZINC000919000756 1322019058 /nfs/dbraw/zinc/01/90/58/1322019058.db2.gz MPBDPABVKDTUJZ-UHFFFAOYSA-N 0 0 347.327 3.338 10 5 EGBERN COc1ccc(/C=C\C(=O)OCc2csc([N+](=O)[O-])c2)cc1O ZINC000919561516 1322079700 /nfs/dbraw/zinc/07/97/00/1322079700.db2.gz AFBHLHSGGABAJJ-HYXAFXHYSA-N 0 0 335.337 3.127 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OCc2cn(CC3CC3)nn2)cc1Cl ZINC000920253452 1322155522 /nfs/dbraw/zinc/15/55/22/1322155522.db2.gz XTCDNQJYSIDLAE-UHFFFAOYSA-N 0 0 343.170 3.482 10 5 EGBERN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCc1cccc([N+](=O)[O-])c1 ZINC000930920795 1329007928 /nfs/dbraw/zinc/00/79/28/1329007928.db2.gz IESOYHJABNLBAS-OLZOCXBDSA-N 0 0 346.305 3.101 10 5 EGBERN CC1(C)C[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000920597870 1322196715 /nfs/dbraw/zinc/19/67/15/1322196715.db2.gz BFUVMUOJDJTELW-CQSZACIVSA-N 0 0 349.431 3.030 10 5 EGBERN CC[C@@H]1CCCC[C@H]1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000921000374 1322242877 /nfs/dbraw/zinc/24/28/77/1322242877.db2.gz UXCBGJMQRMYSLP-IUODEOHRSA-N 0 0 337.372 3.494 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cnc(-c2ccccc2)nc1 ZINC000921213628 1322274489 /nfs/dbraw/zinc/27/44/89/1322274489.db2.gz CZRYUZDPQTXFPH-UHFFFAOYSA-N 0 0 341.348 3.470 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000921337006 1322296172 /nfs/dbraw/zinc/29/61/72/1322296172.db2.gz CCLLYWMGJHXLQF-XJKSGUPXSA-N 0 0 347.415 3.365 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)CC2(F)CC2)cc1Cl ZINC000922018950 1322440958 /nfs/dbraw/zinc/44/09/58/1322440958.db2.gz AKWGMAWJVNFPPP-UHFFFAOYSA-N 0 0 344.147 3.112 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923643796 1322786711 /nfs/dbraw/zinc/78/67/11/1322786711.db2.gz MLSWXIDKBAYQBY-OAUYIBNBSA-N 0 0 347.415 3.303 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1cnoc1C1CC1 ZINC000923964856 1322857632 /nfs/dbraw/zinc/85/76/32/1322857632.db2.gz UGCSZVREPVODDD-UHFFFAOYSA-N 0 0 334.303 3.275 10 5 EGBERN C[C@]1(c2noc(CCc3c(Cl)cccc3[N+](=O)[O-])n2)CCCO1 ZINC000923970862 1322859953 /nfs/dbraw/zinc/85/99/53/1322859953.db2.gz CHMHHGFNFKRWTR-OAHLLOKOSA-N 0 0 337.763 3.442 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@]2(C)C=CCC2)cccc1[N+](=O)[O-] ZINC000924410318 1323011117 /nfs/dbraw/zinc/01/11/17/1323011117.db2.gz ODTYBVWODJOQSB-PXAZEXFGSA-N 0 0 332.356 3.130 10 5 EGBERN CCCC[C@@](C)(F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859737074 1329066698 /nfs/dbraw/zinc/06/66/98/1329066698.db2.gz LDUVWCDBSWROAL-OAHLLOKOSA-N 0 0 329.299 3.378 10 5 EGBERN CCC(C)(C)[C@H](O)C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000859765059 1329073031 /nfs/dbraw/zinc/07/30/31/1329073031.db2.gz CAVCQXHFYZVKTO-GFCCVEGCSA-N 0 0 349.305 3.454 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC[C@@H]1O ZINC000859865012 1329100388 /nfs/dbraw/zinc/10/03/88/1329100388.db2.gz KBNQTGDBQWCUOJ-PKOBYXMFSA-N 0 0 342.395 3.419 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860117229 1329151010 /nfs/dbraw/zinc/15/10/10/1329151010.db2.gz GASRQZKDBUCPDB-SKDRFNHKSA-N 0 0 348.580 3.465 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000931624687 1329156341 /nfs/dbraw/zinc/15/63/41/1329156341.db2.gz UUSKBLHHXFQZKZ-GXFFZTMASA-N 0 0 339.779 3.103 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC000860263569 1329184933 /nfs/dbraw/zinc/18/49/33/1329184933.db2.gz WBWNSCJTZLPFTO-BXUZGUMPSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925250420 1325097245 /nfs/dbraw/zinc/09/72/45/1325097245.db2.gz JSZOWTPSPKMGJD-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925502045 1325180868 /nfs/dbraw/zinc/18/08/68/1325180868.db2.gz FECJQRMMEYNXMJ-GFCCVEGCSA-N 0 0 335.404 3.082 10 5 EGBERN C[C@@H](OC(=O)C[C@@H](C)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860319183 1329304260 /nfs/dbraw/zinc/30/42/60/1329304260.db2.gz IAFDGBWIXTZQFN-RKDXNWHRSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860318577 1329304298 /nfs/dbraw/zinc/30/42/98/1329304298.db2.gz YXSAXLXQDOHUFR-DTWKUNHWSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860318578 1329304315 /nfs/dbraw/zinc/30/43/15/1329304315.db2.gz YXSAXLXQDOHUFR-IUCAKERBSA-N 0 0 348.277 3.054 10 5 EGBERN CO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860731432 1329349067 /nfs/dbraw/zinc/34/90/67/1329349067.db2.gz DCAMPXQKMYKZGP-HNNXBMFYSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860847582 1329362216 /nfs/dbraw/zinc/36/22/16/1329362216.db2.gz AYBLUBPKXDQKGB-KDOFPFPSSA-N 0 0 340.379 3.435 10 5 EGBERN Cn1ccnc1[C@H](NCCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000926948350 1327790253 /nfs/dbraw/zinc/79/02/53/1327790253.db2.gz DUMPEUNUUYUZNC-QGZVFWFLSA-N 0 0 326.400 3.364 10 5 EGBERN CSC1CCC(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000927381058 1327995379 /nfs/dbraw/zinc/99/53/79/1327995379.db2.gz YTHFJOJQFRHZJW-UHFFFAOYSA-N 0 0 340.420 3.314 10 5 EGBERN C/C(=C\C(=O)NCc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000927655236 1328092849 /nfs/dbraw/zinc/09/28/49/1328092849.db2.gz UWCAZRRIRHXPKK-PKNBQFBNSA-N 0 0 343.408 3.260 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000928189824 1328226893 /nfs/dbraw/zinc/22/68/93/1328226893.db2.gz UYVYJCWKHMFQLM-NSHDSACASA-N 0 0 348.790 3.002 10 5 EGBERN C[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000928247241 1328254323 /nfs/dbraw/zinc/25/43/23/1328254323.db2.gz RRRDKAFOHFUVHE-WBMJQRKESA-N 0 0 326.352 3.166 10 5 EGBERN Cc1sc(C(=O)NCc2c(C)cc(CO)cc2C)cc1[N+](=O)[O-] ZINC000928464117 1328327091 /nfs/dbraw/zinc/32/70/91/1328327091.db2.gz ZLJOGQTYHGLLNA-UHFFFAOYSA-N 0 0 334.397 3.004 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1C[C@@]12CCOC2 ZINC000861445373 1329418769 /nfs/dbraw/zinc/41/87/69/1329418769.db2.gz GQUSRTOLFFLIIO-OUCADQQQSA-N 0 0 345.273 3.168 10 5 EGBERN CC(C)(/C=C\Cl)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928939236 1328478073 /nfs/dbraw/zinc/47/80/73/1328478073.db2.gz XUSUAIJNYDMJGN-FPLPWBNLSA-N 0 0 337.807 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccnn1C ZINC000929118371 1328509265 /nfs/dbraw/zinc/50/92/65/1328509265.db2.gz LOPWBVXRYPLUPC-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000929118453 1328509527 /nfs/dbraw/zinc/50/95/27/1328509527.db2.gz MRYQKFHAAGWZTB-ZDUSSCGKSA-N 0 0 343.387 3.048 10 5 EGBERN O=C(NC1(CCO)CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861662761 1329434521 /nfs/dbraw/zinc/43/45/21/1329434521.db2.gz GEZUAUAIFYZGKF-UHFFFAOYSA-N 0 0 328.368 3.173 10 5 EGBERN C[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000861849763 1329445640 /nfs/dbraw/zinc/44/56/40/1329445640.db2.gz YJIKZOTYNUSNFH-FZMZJTMJSA-N 0 0 344.342 3.162 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862016248 1329455113 /nfs/dbraw/zinc/45/51/13/1329455113.db2.gz FUXRDWZWQRSTHC-ZFWWWQNUSA-N 0 0 328.368 3.435 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862717729 1329504745 /nfs/dbraw/zinc/50/47/45/1329504745.db2.gz UWQIAOLIMHSLBM-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN O=C(N[C@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000862746001 1329505874 /nfs/dbraw/zinc/50/58/74/1329505874.db2.gz KNSRIDJYRQJJON-INIZCTEOSA-N 0 0 329.331 3.400 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863000087 1329521897 /nfs/dbraw/zinc/52/18/97/1329521897.db2.gz RKKNLSCXMNYQES-ZNWBZCOPSA-N 0 0 347.198 3.443 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000863048387 1329526235 /nfs/dbraw/zinc/52/62/35/1329526235.db2.gz RQZMHUZRMMFUAS-UHFFFAOYSA-N 0 0 329.356 3.289 10 5 EGBERN COc1cc(CSCc2cc(Cl)n(C)n2)ccc1[N+](=O)[O-] ZINC000863403986 1329552503 /nfs/dbraw/zinc/55/25/03/1329552503.db2.gz WMMMEIDBGSAJQP-UHFFFAOYSA-N 0 0 327.793 3.424 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(Cc2cccs2)C1 ZINC000863599377 1329565416 /nfs/dbraw/zinc/56/54/16/1329565416.db2.gz RKUBEBCPROEIOL-UHFFFAOYSA-N 0 0 334.372 3.419 10 5 EGBERN CCCN(C(=S)NCc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000865237643 1329678827 /nfs/dbraw/zinc/67/88/27/1329678827.db2.gz NGADFDBUSXOXIN-UHFFFAOYSA-N 0 0 334.401 3.182 10 5 EGBERN CCOC(=O)c1c(C)ccnc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000865352428 1329688244 /nfs/dbraw/zinc/68/82/44/1329688244.db2.gz LNAVGHSXUHQUOL-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN CC(C)Oc1ccc([C@H](O)CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000865542697 1329711434 /nfs/dbraw/zinc/71/14/34/1329711434.db2.gz WMRYLNZYWSRXAM-OAHLLOKOSA-N 0 0 335.335 3.062 10 5 EGBERN C[C@@H]1COCCN1c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000865549631 1329712449 /nfs/dbraw/zinc/71/24/49/1329712449.db2.gz REEJRUNBEWGJSW-LLVKDONJSA-N 0 0 332.335 3.098 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865604966 1329718913 /nfs/dbraw/zinc/71/89/13/1329718913.db2.gz ITXOGEOYNSHAMR-GOSISDBHSA-N 0 0 330.359 3.394 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1cccc(C)c1[N+](=O)[O-])CC2 ZINC000866040428 1330058256 /nfs/dbraw/zinc/05/82/56/1330058256.db2.gz VFKBUJMAMLDYKZ-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000866069500 1330062005 /nfs/dbraw/zinc/06/20/05/1330062005.db2.gz FEIUSNJPTMYKRI-SCZZXKLOSA-N 0 0 344.209 3.064 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CSC[C@@H]2C1 ZINC000866151533 1330071231 /nfs/dbraw/zinc/07/12/31/1330071231.db2.gz JVTQAHVZXBDIQS-UWVGGRQHSA-N 0 0 341.820 3.465 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CC2(CO1)CCOCC2 ZINC000866174120 1330073324 /nfs/dbraw/zinc/07/33/24/1330073324.db2.gz HBDPAVUUXFAMGQ-CQSZACIVSA-N 0 0 343.383 3.141 10 5 EGBERN COc1cc(N2CC[C@@H]3CSC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000866199223 1330077201 /nfs/dbraw/zinc/07/72/01/1330077201.db2.gz ARIJIHPATPLSHX-NXEZZACHSA-N 0 0 328.821 3.446 10 5 EGBERN COc1cc(N2CC[C@H]3CSC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000866199226 1330077355 /nfs/dbraw/zinc/07/73/55/1330077355.db2.gz ARIJIHPATPLSHX-VHSXEESVSA-N 0 0 328.821 3.446 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402170 1330106977 /nfs/dbraw/zinc/10/69/77/1330106977.db2.gz ICCSLSUEPNKWMG-XJKSGUPXSA-N 0 0 346.456 3.151 10 5 EGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2CCC2(F)F)cc1Cl ZINC000866618839 1330133965 /nfs/dbraw/zinc/13/39/65/1330133965.db2.gz LOZJASPXTHFBHY-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN Cc1ccc(CNC(=O)NCCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868501511 1330287140 /nfs/dbraw/zinc/28/71/40/1330287140.db2.gz LSAXHTSTEIJOMU-HNNXBMFYSA-N 0 0 335.404 3.052 10 5 EGBERN CCOC(CN(CC)C(=O)c1cc([N+](=O)[O-])c(C)cc1C)OCC ZINC000868777117 1330341302 /nfs/dbraw/zinc/34/13/02/1330341302.db2.gz TXXYSYVOPCJSBA-UHFFFAOYSA-N 0 0 338.404 3.073 10 5 EGBERN C[C@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)c1ccco1 ZINC000869812037 1330569336 /nfs/dbraw/zinc/56/93/36/1330569336.db2.gz ZUNOBVJWXRWZTH-LBPRGKRZSA-N 0 0 343.335 3.424 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1c(Cl)n[nH]c1C1CC1 ZINC000869903610 1330586912 /nfs/dbraw/zinc/58/69/12/1330586912.db2.gz XBGSSIHSXGCBTH-UHFFFAOYSA-N 0 0 339.710 3.345 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NCCc1coc(-c2ccc(F)cc2)n1 ZINC001324296733 1387586446 /nfs/dbraw/zinc/58/64/46/1387586446.db2.gz KBKDSCVUJIFZDP-UHFFFAOYSA-N 0 0 342.330 3.169 10 5 EGBERN Cc1cc(C[C@H](C)Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])n[nH]1 ZINC001185792818 1387801336 /nfs/dbraw/zinc/80/13/36/1387801336.db2.gz IFEBIIUWXJJVLK-VIFPVBQESA-N 0 0 345.790 3.293 10 5 EGBERN CCc1ccc(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1C ZINC001185827112 1387809497 /nfs/dbraw/zinc/80/94/97/1387809497.db2.gz HPHBBXGGFUUVEW-UHFFFAOYSA-N 0 0 349.412 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOc2ccccc2[N+](=O)[O-])c(F)c1F ZINC001189381273 1367007548 /nfs/dbraw/zinc/00/75/48/1367007548.db2.gz NKRKVCZFLINHNZ-UHFFFAOYSA-N 0 0 340.238 3.239 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001192867993 1367892182 /nfs/dbraw/zinc/89/21/82/1367892182.db2.gz DUEZOKIVCINXSH-FZMZJTMJSA-N 0 0 330.306 3.376 10 5 EGBERN C[C@@H](O)[C@@](C)(CNc1c(Cl)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC001186374372 1387930333 /nfs/dbraw/zinc/93/03/33/1387930333.db2.gz ZZPVSCCIRLRCSG-SJKOYZFVSA-N 0 0 349.818 3.107 10 5 EGBERN COC(=O)[C@@]1(NCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC001195969388 1368525318 /nfs/dbraw/zinc/52/53/18/1368525318.db2.gz HJCPBCJNNQRCTH-SXUIPJSXSA-N 0 0 340.807 3.460 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC001325410438 1387964802 /nfs/dbraw/zinc/96/48/02/1387964802.db2.gz ISROLVCCGGRJRI-NXEZZACHSA-N 0 0 345.321 3.440 10 5 EGBERN Cc1cc(N[C@@H](C)c2nccc(N)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186853430 1388014820 /nfs/dbraw/zinc/01/48/20/1388014820.db2.gz CBARJBNJNLOLOG-QMMMGPOBSA-N 0 0 341.293 3.467 10 5 EGBERN C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1cnccn1 ZINC001186881403 1388022188 /nfs/dbraw/zinc/02/21/88/1388022188.db2.gz QHRMQDWDEPTLQT-SECBINFHSA-N 0 0 329.747 3.181 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOc3ccc(O)cc3C2)c2ncccc12 ZINC001187124127 1388056534 /nfs/dbraw/zinc/05/65/34/1388056534.db2.gz XGGAHWVYMIQNKK-UHFFFAOYSA-N 0 0 337.335 3.248 10 5 EGBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC001187282396 1388086467 /nfs/dbraw/zinc/08/64/67/1388086467.db2.gz VZNDPKMMIUXUCX-SSDLBLMSSA-N 0 0 332.200 3.337 10 5 EGBERN COC(=O)c1ccnc(N(C)C[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001187280151 1388087077 /nfs/dbraw/zinc/08/70/77/1388087077.db2.gz JDFGQHYHYGDZTK-GFCCVEGCSA-N 0 0 335.404 3.429 10 5 EGBERN CN1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC001187325721 1388094543 /nfs/dbraw/zinc/09/45/43/1388094543.db2.gz HTQLBYHUJIXEAO-CYBMUJFWSA-N 0 0 335.367 3.011 10 5 EGBERN Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc(C)n1 ZINC001325983111 1388099510 /nfs/dbraw/zinc/09/95/10/1388099510.db2.gz JNSYELGNHJTSOF-UHFFFAOYSA-N 0 0 343.386 3.367 10 5 EGBERN CC(C)c1ccccc1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117761033 1371077359 /nfs/dbraw/zinc/07/73/59/1371077359.db2.gz CGYDMDJZTKZXQF-QGZVFWFLSA-N 0 0 328.368 3.415 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC(C)(C)CO1 ZINC001187462543 1388113313 /nfs/dbraw/zinc/11/33/13/1388113313.db2.gz ASUPKSMECATZDE-GFCCVEGCSA-N 0 0 336.388 3.307 10 5 EGBERN COC(=O)c1ccc2c(c1)CCN(c1ccc(C)cc1[N+](=O)[O-])C2 ZINC001187489259 1388116394 /nfs/dbraw/zinc/11/63/94/1388116394.db2.gz RMDUQSKGPRROMP-UHFFFAOYSA-N 0 0 326.352 3.253 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c(Cl)c1 ZINC001187593985 1388128878 /nfs/dbraw/zinc/12/88/78/1388128878.db2.gz RYWVMSSREKXJIX-ZIAGYGMSSA-N 0 0 327.837 3.240 10 5 EGBERN Cn1cc(CSCc2nccn2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC001119603435 1371373166 /nfs/dbraw/zinc/37/31/66/1371373166.db2.gz SUBRPVOCKUASPW-UHFFFAOYSA-N 0 0 343.412 3.007 10 5 EGBERN C[C@@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001187669747 1388140084 /nfs/dbraw/zinc/14/00/84/1388140084.db2.gz QOHVWUZHRJHZBF-OAHLLOKOSA-N 0 0 348.359 3.058 10 5 EGBERN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC001187669565 1388140208 /nfs/dbraw/zinc/14/02/08/1388140208.db2.gz KLVYRWSBBLTTPQ-VIFPVBQESA-N 0 0 329.784 3.423 10 5 EGBERN C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001187926949 1388191873 /nfs/dbraw/zinc/19/18/73/1388191873.db2.gz ZMNSVZDQIOIYQZ-VIFPVBQESA-N 0 0 338.770 3.443 10 5 EGBERN CSc1cccnc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326464798 1388200159 /nfs/dbraw/zinc/20/01/59/1388200159.db2.gz RMEWQUKRDMABMR-UHFFFAOYSA-N 0 0 344.396 3.302 10 5 EGBERN CCOc1ccc(OC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001124064145 1372667641 /nfs/dbraw/zinc/66/76/41/1372667641.db2.gz OVXUMQXSAJAHCF-UHFFFAOYSA-N 0 0 335.287 3.360 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001124114319 1372675344 /nfs/dbraw/zinc/67/53/44/1372675344.db2.gz HZZOFHYDHDZNBN-CVEARBPZSA-N 0 0 340.335 3.124 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1cc(Cl)cc(Cl)c1 ZINC001124175699 1372681567 /nfs/dbraw/zinc/68/15/67/1372681567.db2.gz ISMIYAUYLQUAEX-UHFFFAOYSA-N 0 0 330.127 3.012 10 5 EGBERN Cc1ccc(NC(=O)c2cnc(-c3ccccn3)nc2)cc1[N+](=O)[O-] ZINC001124406349 1372699149 /nfs/dbraw/zinc/69/91/49/1372699149.db2.gz ORVYZRRATJCPEX-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN COc1ccc(OC)c(COC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001124548718 1372710497 /nfs/dbraw/zinc/71/04/97/1372710497.db2.gz TVKTXJJMRNZJFQ-UHFFFAOYSA-N 0 0 349.314 3.037 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)nc1 ZINC001124596203 1372714929 /nfs/dbraw/zinc/71/49/29/1372714929.db2.gz BSRDJTZQSSKXFB-UHFFFAOYSA-N 0 0 344.323 3.164 10 5 EGBERN O=C(c1nsc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124643176 1372719088 /nfs/dbraw/zinc/71/90/88/1372719088.db2.gz YINYSZXKDUJOGF-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)Oc1cccc(C)c1 ZINC001125116358 1372754488 /nfs/dbraw/zinc/75/44/88/1372754488.db2.gz MKGBJUXTYZNOBB-OAHLLOKOSA-N 0 0 343.383 3.194 10 5 EGBERN Cc1c(OC(=O)C[C@H]2CC(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC001125228288 1372761455 /nfs/dbraw/zinc/76/14/55/1372761455.db2.gz HSYAFHDPXBYDTG-GFCCVEGCSA-N 0 0 340.335 3.325 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Oc2cccc([N+](=O)[O-])c2C)c1 ZINC001125229057 1372761482 /nfs/dbraw/zinc/76/14/82/1372761482.db2.gz ZGXJFBAACWIHGS-MRXNPFEDSA-N 0 0 331.324 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001125653810 1372829491 /nfs/dbraw/zinc/82/94/91/1372829491.db2.gz VFIMKDFEZFYLBG-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Oc1cccc(F)c1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001125740717 1372844734 /nfs/dbraw/zinc/84/47/34/1372844734.db2.gz OJFNZAIWTKPDSU-UHFFFAOYSA-N 0 0 345.261 3.278 10 5 EGBERN Cc1nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)sc1C ZINC001125849153 1372872352 /nfs/dbraw/zinc/87/23/52/1372872352.db2.gz GQXRWAMHDUFJRH-UHFFFAOYSA-N 0 0 349.368 3.082 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001125876971 1372879083 /nfs/dbraw/zinc/87/90/83/1372879083.db2.gz ZKGZZSIPXKGUSX-IAGOWNOFSA-N 0 0 332.400 3.306 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 ZINC001126087662 1372930679 /nfs/dbraw/zinc/93/06/79/1372930679.db2.gz BVAANDDSVOOKHY-INIZCTEOSA-N 0 0 325.368 3.049 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccc(F)cc1F ZINC001126259000 1372953356 /nfs/dbraw/zinc/95/33/56/1372953356.db2.gz WEWUAXYIVZKUAZ-AWEZNQCLSA-N 0 0 335.310 3.458 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126357643 1372960137 /nfs/dbraw/zinc/96/01/37/1372960137.db2.gz QAUJRBXBRHIYSU-UHFFFAOYSA-N 0 0 341.323 3.323 10 5 EGBERN CC(=O)Nc1ccccc1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001126615656 1372984262 /nfs/dbraw/zinc/98/42/62/1372984262.db2.gz GANWBFFZGKALJD-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN COC(=O)c1csc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001126958185 1373057305 /nfs/dbraw/zinc/05/73/05/1373057305.db2.gz IFOYEEWMNBRWCC-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)cc1[N+](=O)[O-] ZINC001127361829 1373119528 /nfs/dbraw/zinc/11/95/28/1373119528.db2.gz ZXYUGAYFOJZNBD-HOTGVXAUSA-N 0 0 349.431 3.350 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)CSC(F)(F)F)cc1[N+](=O)[O-] ZINC001127387036 1373122879 /nfs/dbraw/zinc/12/28/79/1373122879.db2.gz YUAAEZKRQXOZOS-ZETCQYMHSA-N 0 0 338.307 3.431 10 5 EGBERN CC[C@H](NC(=O)c1nccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC001127590465 1373144153 /nfs/dbraw/zinc/14/41/53/1373144153.db2.gz AUYSIWFNGUYYFO-HNNXBMFYSA-N 0 0 336.351 3.419 10 5 EGBERN CC[C@H](OC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001127624926 1373149432 /nfs/dbraw/zinc/14/94/32/1373149432.db2.gz ZWBGSMPGFTYVOP-ZDUSSCGKSA-N 0 0 348.315 3.028 10 5 EGBERN CCc1cc(NC(=O)[C@H](CC(C)C)OC)c2cc([N+](=O)[O-])ccc2n1 ZINC001127663934 1373155277 /nfs/dbraw/zinc/15/52/77/1373155277.db2.gz YNUMQKJBBMMYRU-KRWDZBQOSA-N 0 0 345.399 3.127 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cccnc21 ZINC001127672367 1373157276 /nfs/dbraw/zinc/15/72/76/1373157276.db2.gz RKRLRJSDFDBZDM-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN CC[C@H](NC(=O)/C=C(\C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC001127680208 1373159184 /nfs/dbraw/zinc/15/91/84/1373159184.db2.gz ACFJDFAIZCOPFO-RZXPCSSPSA-N 0 0 326.356 3.056 10 5 EGBERN CC[C@H](OC(=O)[C@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001127710520 1373165649 /nfs/dbraw/zinc/16/56/49/1373165649.db2.gz MLJKDMOOGXSZKC-WBMJQRKESA-N 0 0 331.372 3.201 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2ccc(F)nc2F)cc1[N+](=O)[O-] ZINC001128087192 1373217292 /nfs/dbraw/zinc/21/72/92/1373217292.db2.gz ZBHWETNCYDSZSJ-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccnc(-c2ccccc2)n1 ZINC001128630468 1373299076 /nfs/dbraw/zinc/29/90/76/1373299076.db2.gz RAOFVUBAKPAWFS-UHFFFAOYSA-N 0 0 348.362 3.024 10 5 EGBERN CSc1ccccc1OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001129023964 1373337451 /nfs/dbraw/zinc/33/74/51/1373337451.db2.gz UMUOIPWGDGFPPR-UHFFFAOYSA-N 0 0 329.337 3.412 10 5 EGBERN CCn1cc(Cl)c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC001129287349 1373369061 /nfs/dbraw/zinc/36/90/61/1373369061.db2.gz YUBMYMQLKFFMHF-UHFFFAOYSA-N 0 0 336.779 3.130 10 5 EGBERN C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001129499525 1373391075 /nfs/dbraw/zinc/39/10/75/1373391075.db2.gz VAETUZAHLSPWGX-DIFFPNOSSA-N 0 0 337.395 3.499 10 5 EGBERN CO[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC001129828993 1373426627 /nfs/dbraw/zinc/42/66/27/1373426627.db2.gz YMRITXSKQRZNNZ-AWEZNQCLSA-N 0 0 342.823 3.358 10 5 EGBERN COc1cc(C(=O)NCc2ccc3occc3c2)ccc1[N+](=O)[O-] ZINC001130710564 1373582976 /nfs/dbraw/zinc/58/29/76/1373582976.db2.gz VVBHXNLZDIMVJG-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN C[C@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC001130761051 1373589090 /nfs/dbraw/zinc/58/90/90/1373589090.db2.gz DHEZMSHXMCQQOR-LLVKDONJSA-N 0 0 339.355 3.009 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1OC1CC1 ZINC001130850513 1373598274 /nfs/dbraw/zinc/59/82/74/1373598274.db2.gz ZYTUPMZWPLODGC-UHFFFAOYSA-N 0 0 344.279 3.263 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(OC3CC3)cc2)c1 ZINC001130892683 1373603972 /nfs/dbraw/zinc/60/39/72/1373603972.db2.gz LWTWOKDNQZZKTG-UHFFFAOYSA-N 0 0 329.308 3.364 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(NC2CC2)nc1 ZINC001130959400 1373616653 /nfs/dbraw/zinc/61/66/53/1373616653.db2.gz GASMFAQGWODKBU-UHFFFAOYSA-N 0 0 349.350 3.365 10 5 EGBERN C[C@@H]1[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001131051192 1373633141 /nfs/dbraw/zinc/63/31/41/1373633141.db2.gz CVRTZKBIPLPJDP-AMKSKSKJSA-N 0 0 342.307 3.458 10 5 EGBERN COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC001131069332 1373636903 /nfs/dbraw/zinc/63/69/03/1373636903.db2.gz UTCTVKFESWYYQE-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN COc1csc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c1 ZINC001131250772 1373669356 /nfs/dbraw/zinc/66/93/56/1373669356.db2.gz HWYPBHGQEFPHHM-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])cc1F ZINC001131302693 1373677896 /nfs/dbraw/zinc/67/78/96/1373677896.db2.gz HXXVCYXIOGJCRS-UHFFFAOYSA-N 0 0 346.314 3.068 10 5 EGBERN CCC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001131857746 1373845590 /nfs/dbraw/zinc/84/55/90/1373845590.db2.gz VFDKETGNCHIIDV-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(C(C)=O)c2)c1 ZINC001188628181 1388348166 /nfs/dbraw/zinc/34/81/66/1388348166.db2.gz WDJDEDJRTXFEPB-UHFFFAOYSA-N 0 0 329.308 3.163 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H](C)C(C)(C)C ZINC001224861845 1375081062 /nfs/dbraw/zinc/08/10/62/1375081062.db2.gz ANCVFHVPMHCIPG-LBPRGKRZSA-N 0 0 337.420 3.427 10 5 EGBERN CCC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001132022578 1375103192 /nfs/dbraw/zinc/10/31/92/1375103192.db2.gz FVKPCTSKTSKPHL-UHFFFAOYSA-N 0 0 325.384 3.356 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cncc(N(C)C)c2)cc1Cl ZINC001132220653 1375218006 /nfs/dbraw/zinc/21/80/06/1375218006.db2.gz OBJAEJKFFDOKAB-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN Cc1c(CNC(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001226219367 1375221695 /nfs/dbraw/zinc/22/16/95/1375221695.db2.gz YOQKCFPRXPCDMZ-NQUFMGSDSA-N 0 0 341.411 3.257 10 5 EGBERN COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001132272423 1375259327 /nfs/dbraw/zinc/25/93/27/1375259327.db2.gz FCAOGVBPVBYUSW-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN CC(C)(C)c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC001132340975 1375321072 /nfs/dbraw/zinc/32/10/72/1375321072.db2.gz FXWPMVUOVPXQOF-UHFFFAOYSA-N 0 0 346.339 3.144 10 5 EGBERN Cc1ccc(OCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001132418515 1375366134 /nfs/dbraw/zinc/36/61/34/1375366134.db2.gz JHMBNXNVXIEDDV-UHFFFAOYSA-N 0 0 328.368 3.215 10 5 EGBERN O=C(NCc1noc2ccc(F)cc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001132662133 1375502499 /nfs/dbraw/zinc/50/24/99/1375502499.db2.gz QEFHSYJOJAOZKL-UHFFFAOYSA-N 0 0 349.705 3.459 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(Cl)cc1F ZINC001132747327 1375543607 /nfs/dbraw/zinc/54/36/07/1375543607.db2.gz KFZIQYMFPGKKLN-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CCc1ccc(C(C)(C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001132747427 1375543773 /nfs/dbraw/zinc/54/37/73/1375543773.db2.gz OQLTUFYUUWTLPG-UHFFFAOYSA-N 0 0 343.383 3.477 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccccc1CC(C)C ZINC001132750415 1375546108 /nfs/dbraw/zinc/54/61/08/1375546108.db2.gz LCFVYLNHZCSREU-UHFFFAOYSA-N 0 0 329.356 3.449 10 5 EGBERN CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001132962890 1375676510 /nfs/dbraw/zinc/67/65/10/1375676510.db2.gz LXCOSXVNGWHEDJ-LSDHHAIUSA-N 0 0 341.367 3.303 10 5 EGBERN COc1c(C(=O)Nc2ccncc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC001133056088 1375747157 /nfs/dbraw/zinc/74/71/57/1375747157.db2.gz FMXNYXXPNDKSKS-UHFFFAOYSA-N 0 0 349.346 3.340 10 5 EGBERN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1-c1ccsc1 ZINC001133366237 1375947649 /nfs/dbraw/zinc/94/76/49/1375947649.db2.gz VJVZKPOHPMGGPC-UHFFFAOYSA-N 0 0 342.380 3.467 10 5 EGBERN Nc1c(C(=O)NC2(C3CC3)CCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001133449986 1376013224 /nfs/dbraw/zinc/01/32/24/1376013224.db2.gz LWDNSJLJCHNIRS-UHFFFAOYSA-N 0 0 325.368 3.393 10 5 EGBERN Cc1coc(COC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC001133466532 1376025238 /nfs/dbraw/zinc/02/52/38/1376025238.db2.gz NDQKLUHEVCEMHV-UHFFFAOYSA-N 0 0 341.323 3.098 10 5 EGBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1COCC2 ZINC001327180246 1388427517 /nfs/dbraw/zinc/42/75/17/1388427517.db2.gz GCBZBVKXGDOSEK-UHFFFAOYSA-N 0 0 327.336 3.067 10 5 EGBERN CC(C)n1nnc(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC001133910686 1376261131 /nfs/dbraw/zinc/26/11/31/1376261131.db2.gz JFXKJNPDOCVSTI-UHFFFAOYSA-N 0 0 332.367 3.208 10 5 EGBERN C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c21 ZINC001134155954 1376390214 /nfs/dbraw/zinc/39/02/14/1376390214.db2.gz ZGXMUMRGPJHPKZ-LLVKDONJSA-N 0 0 328.372 3.215 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2cc(F)c(F)cc2O1 ZINC001134155962 1376390745 /nfs/dbraw/zinc/39/07/45/1376390745.db2.gz ZLMGNNMRPAYXDO-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001134274479 1376450001 /nfs/dbraw/zinc/45/00/01/1376450001.db2.gz LHMLMJQCLMFUKE-GFCCVEGCSA-N 0 0 343.339 3.345 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(F)c(Cl)c2)c1 ZINC001134334168 1376482861 /nfs/dbraw/zinc/48/28/61/1376482861.db2.gz RAWRDRBWCVFNOT-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN Cc1ccc(/C=C/CC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001134358051 1376492832 /nfs/dbraw/zinc/49/28/32/1376492832.db2.gz LDRKLUZUFKTZBO-NSCUHMNNSA-N 0 0 339.351 3.044 10 5 EGBERN O=[N+]([O-])c1ncccc1COc1cc(Br)ccc1F ZINC001189062481 1388449548 /nfs/dbraw/zinc/44/95/48/1388449548.db2.gz WYYLBWWYOKCEDP-UHFFFAOYSA-N 0 0 327.109 3.470 10 5 EGBERN CC(C)COC(=O)N(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001189061316 1388449717 /nfs/dbraw/zinc/44/97/17/1388449717.db2.gz NOJWPBAGYMEOFG-UHFFFAOYSA-N 0 0 340.767 3.280 10 5 EGBERN CC1(C)C(C)(C)C1(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001134786969 1376720666 /nfs/dbraw/zinc/72/06/66/1376720666.db2.gz OUHXRBLGIMSRIG-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN Cc1cc(NC(=O)c2csc(-c3ncc[nH]3)n2)cc([N+](=O)[O-])c1 ZINC001134963204 1376812865 /nfs/dbraw/zinc/81/28/65/1376812865.db2.gz YOMIGFUTKAWIGN-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(NC[C@@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC001134975456 1376821027 /nfs/dbraw/zinc/82/10/27/1376821027.db2.gz NAVQRFQFNPMCNY-HNNXBMFYSA-N 0 0 332.743 3.250 10 5 EGBERN CCOc1ccc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001135035169 1376861170 /nfs/dbraw/zinc/86/11/70/1376861170.db2.gz HQDNOKGWNZODKC-SJLPKXTDSA-N 0 0 348.399 3.025 10 5 EGBERN Cn1nc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001135070189 1376880097 /nfs/dbraw/zinc/88/00/97/1376880097.db2.gz OJEVSOXEWCMCAZ-UHFFFAOYSA-N 0 0 342.380 3.212 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCCOC2 ZINC001135268700 1377012017 /nfs/dbraw/zinc/01/20/17/1377012017.db2.gz CPCGWRIGNGWVNZ-SCTDSRPQSA-N 0 0 344.411 3.260 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cn(C)nc2C(F)F)c1 ZINC001135332319 1377043200 /nfs/dbraw/zinc/04/32/00/1377043200.db2.gz KCHUKEIOJLSPNK-UHFFFAOYSA-N 0 0 342.327 3.240 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001266261227 1377250307 /nfs/dbraw/zinc/25/03/07/1377250307.db2.gz HAVRVPVMJNUMQP-UHFFFAOYSA-N 0 0 332.287 3.048 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001266261042 1377250351 /nfs/dbraw/zinc/25/03/51/1377250351.db2.gz AVQRIWCDSCLGLB-UHFFFAOYSA-N 0 0 332.287 3.048 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)c1ccccc1 ZINC001136032794 1377305790 /nfs/dbraw/zinc/30/57/90/1377305790.db2.gz PRJCNSWINJCMRF-UHFFFAOYSA-N 0 0 345.424 3.183 10 5 EGBERN CCC[C@@H]1SCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136821000 1377427048 /nfs/dbraw/zinc/42/70/48/1377427048.db2.gz NCKRFUZDLFYNAG-NSHDSACASA-N 0 0 329.809 3.146 10 5 EGBERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137187981 1377494089 /nfs/dbraw/zinc/49/40/89/1377494089.db2.gz NBPYFZIRIALESA-DOMZBBRYSA-N 0 0 325.368 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2c2cccn2C)n1 ZINC001137207805 1377496744 /nfs/dbraw/zinc/49/67/44/1377496744.db2.gz YLPJBGFTEVUJHQ-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cc(C)c(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001138020168 1377667380 /nfs/dbraw/zinc/66/73/80/1377667380.db2.gz FBTWLNGUQVVGDY-UHFFFAOYSA-N 0 0 330.369 3.331 10 5 EGBERN CCOc1ccc(C)nc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001276974857 1378198734 /nfs/dbraw/zinc/19/87/34/1378198734.db2.gz ANVJFWMHLZUCTN-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001141299629 1378295725 /nfs/dbraw/zinc/29/57/25/1378295725.db2.gz MDLIIRYJDRWGTM-HNNXBMFYSA-N 0 0 334.759 3.054 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC/C=C\c1cccnc1 ZINC001141578769 1378345771 /nfs/dbraw/zinc/34/57/71/1378345771.db2.gz ZYQBUSGEQVHNDO-HYXAFXHYSA-N 0 0 329.381 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001141707940 1378364630 /nfs/dbraw/zinc/36/46/30/1378364630.db2.gz OWUIMVKAWIWFCJ-ZANVPECISA-N 0 0 328.372 3.239 10 5 EGBERN Nc1ccc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)cc1[N+](=O)[O-] ZINC001141767814 1378373020 /nfs/dbraw/zinc/37/30/20/1378373020.db2.gz RGKLMLMMZSTXJV-IUIKQTSFSA-N 0 0 343.770 3.355 10 5 EGBERN CCc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC001142812289 1378490742 /nfs/dbraw/zinc/49/07/42/1378490742.db2.gz KGFORDIBUZKTLO-UHFFFAOYSA-N 0 0 329.143 3.439 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)c(F)c1F ZINC001143376756 1378588579 /nfs/dbraw/zinc/58/85/79/1378588579.db2.gz KQUFCKAFZJERRL-UHFFFAOYSA-N 0 0 346.211 3.220 10 5 EGBERN CSc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC001143376715 1378588706 /nfs/dbraw/zinc/58/87/06/1378588706.db2.gz KATLYUIRBPKCNP-UHFFFAOYSA-N 0 0 328.296 3.118 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)c1[N+](=O)[O-] ZINC001146817518 1378926995 /nfs/dbraw/zinc/92/69/95/1378926995.db2.gz PRKFGRJKSJFAOJ-UHFFFAOYSA-N 0 0 349.249 3.281 10 5 EGBERN O=C(NCc1ccns1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001147632680 1379052870 /nfs/dbraw/zinc/05/28/70/1379052870.db2.gz JSJUZHWLAWDZMX-UHFFFAOYSA-N 0 0 346.393 3.105 10 5 EGBERN O=C(NCc1ccns1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001147634053 1379052982 /nfs/dbraw/zinc/05/29/82/1379052982.db2.gz VJORYAGNTMXGML-UHFFFAOYSA-N 0 0 332.168 3.288 10 5 EGBERN CCn1nccc1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001148050953 1379110039 /nfs/dbraw/zinc/11/00/39/1379110039.db2.gz WTLQKEIBCVONNN-UHFFFAOYSA-N 0 0 343.170 3.048 10 5 EGBERN CC(C)(NC(=O)c1cccc2oc(=O)[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC001149273763 1379357006 /nfs/dbraw/zinc/35/70/06/1379357006.db2.gz LZJRGBBGRVKDPC-UHFFFAOYSA-N 0 0 341.323 3.107 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])o2)c1-c1ccccc1F ZINC001149714082 1379434586 /nfs/dbraw/zinc/43/45/86/1379434586.db2.gz DXDIHIHRONXNAR-UHFFFAOYSA-N 0 0 330.275 3.278 10 5 EGBERN Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(N)cc1F ZINC001149907664 1379464510 /nfs/dbraw/zinc/46/45/10/1379464510.db2.gz BOKZIXJPCGLCDO-UHFFFAOYSA-N 0 0 343.358 3.429 10 5 EGBERN Cc1c(F)ccc(N)c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001150827082 1379619341 /nfs/dbraw/zinc/61/93/41/1379619341.db2.gz FSMZTXWWCJBDIO-UHFFFAOYSA-N 0 0 337.738 3.208 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001152218576 1379888004 /nfs/dbraw/zinc/88/80/04/1379888004.db2.gz BXPPZEJWLPOOLB-UHFFFAOYSA-N 0 0 326.352 3.078 10 5 EGBERN CCc1ccc(OC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(OC)c1 ZINC001153103852 1380021717 /nfs/dbraw/zinc/02/17/17/1380021717.db2.gz MLNGZFQQLUPEPI-UHFFFAOYSA-N 0 0 333.315 3.453 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cccc2cc[nH]c21 ZINC001154344569 1380261135 /nfs/dbraw/zinc/26/11/35/1380261135.db2.gz FYALSJQSEMFRDM-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC001328077421 1388662369 /nfs/dbraw/zinc/66/23/69/1388662369.db2.gz IBWOXSAOXYFHHJ-UHFFFAOYSA-N 0 0 344.770 3.053 10 5 EGBERN CC[C@H](C)c1ncc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001155557772 1380468002 /nfs/dbraw/zinc/46/80/02/1380468002.db2.gz DDOAVYAATUKEIH-QMMMGPOBSA-N 0 0 349.778 3.386 10 5 EGBERN COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC001155864390 1380500423 /nfs/dbraw/zinc/50/04/23/1380500423.db2.gz ZGMBKSQHIDCFBD-UONOGXRCSA-N 0 0 328.324 3.051 10 5 EGBERN Cc1cc2cc(CNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])ccc2[nH]1 ZINC001157026449 1380754176 /nfs/dbraw/zinc/75/41/76/1380754176.db2.gz VOKABRRULGIVJW-UHFFFAOYSA-N 0 0 341.342 3.383 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1cccc(O)c1 ZINC001157823882 1381044506 /nfs/dbraw/zinc/04/45/06/1381044506.db2.gz FUSJLIAMOYNPGN-SNVBAGLBSA-N 0 0 332.331 3.109 10 5 EGBERN Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158231534 1381168301 /nfs/dbraw/zinc/16/83/01/1381168301.db2.gz ILXHABMSMWGGQE-ZDUSSCGKSA-N 0 0 343.383 3.338 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001287839700 1381378301 /nfs/dbraw/zinc/37/83/01/1381378301.db2.gz MZFPSZAUFMMWDT-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001288787456 1381939702 /nfs/dbraw/zinc/93/97/02/1381939702.db2.gz DVZPSMKMJGNVNA-BLLLJJGKSA-N 0 0 348.305 3.244 10 5 EGBERN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001288789323 1381940415 /nfs/dbraw/zinc/94/04/15/1381940415.db2.gz VKMNEQKFADQOGR-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN COc1cccc(F)c1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001289340684 1381993004 /nfs/dbraw/zinc/99/30/04/1381993004.db2.gz LBZSHQWSQYPKAW-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN COc1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001289340163 1381993372 /nfs/dbraw/zinc/99/33/72/1381993372.db2.gz BZEAUELPSMTIKJ-LLVKDONJSA-N 0 0 332.331 3.276 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cn1 ZINC001289839637 1382012474 /nfs/dbraw/zinc/01/24/74/1382012474.db2.gz JNHNKAUNXFSQHB-UHFFFAOYSA-N 0 0 338.279 3.304 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1C ZINC001289958283 1382029908 /nfs/dbraw/zinc/02/99/08/1382029908.db2.gz LZLIZXLUXMWXJY-UHFFFAOYSA-N 0 0 327.296 3.311 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc21 ZINC001291769875 1382152501 /nfs/dbraw/zinc/15/25/01/1382152501.db2.gz IIUQFMRGSVKLMK-ZDUSSCGKSA-N 0 0 326.352 3.063 10 5 EGBERN Nc1ccc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001160697017 1382173218 /nfs/dbraw/zinc/17/32/18/1382173218.db2.gz UPEAVZLOJZSMDY-HNNXBMFYSA-N 0 0 347.758 3.431 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCOc2c(F)cccc21 ZINC001294008810 1382405897 /nfs/dbraw/zinc/40/58/97/1382405897.db2.gz ALCCLNIQXIKLCG-CQSZACIVSA-N 0 0 348.305 3.056 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001161573145 1382442677 /nfs/dbraw/zinc/44/26/77/1382442677.db2.gz KPCHYLWNFIEQJN-TZMCWYRMSA-N 0 0 344.371 3.127 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001294595994 1382475372 /nfs/dbraw/zinc/47/53/72/1382475372.db2.gz YDJYNWVUMBMASF-HNNXBMFYSA-N 0 0 341.415 3.500 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(C)CC1 ZINC001295097826 1382536109 /nfs/dbraw/zinc/53/61/09/1382536109.db2.gz QOCWNDROCLKONM-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN COc1ccc2[nH]nc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)c2c1 ZINC001295162131 1382559602 /nfs/dbraw/zinc/55/96/02/1382559602.db2.gz AYGFVOMFPYIOCR-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN Cc1ccc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cc1 ZINC001162055940 1382615951 /nfs/dbraw/zinc/61/59/51/1382615951.db2.gz UAPPACKUVIGCIB-UHFFFAOYSA-N 0 0 338.323 3.394 10 5 EGBERN O=C(NCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccco1 ZINC001162090260 1382625777 /nfs/dbraw/zinc/62/57/77/1382625777.db2.gz DYLACGCDRIMRHN-UHFFFAOYSA-N 0 0 343.261 3.049 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCCN3CCc4ccccc43)nc2c1 ZINC001162104040 1382629730 /nfs/dbraw/zinc/62/97/30/1382629730.db2.gz UBRKMDMMGKHMLO-UHFFFAOYSA-N 0 0 337.383 3.336 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1 ZINC001295429786 1382639098 /nfs/dbraw/zinc/63/90/98/1382639098.db2.gz MHFGDSJFWSAQLW-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)C ZINC001295428691 1382639445 /nfs/dbraw/zinc/63/94/45/1382639445.db2.gz FMPCCDCSAIQONK-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN COC(=O)c1ccnc(N[C@@H](C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC001162631200 1382816758 /nfs/dbraw/zinc/81/67/58/1382816758.db2.gz DDQYWLIVEUWMAR-ZDUSSCGKSA-N 0 0 343.383 3.436 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC001163055037 1382955649 /nfs/dbraw/zinc/95/56/49/1382955649.db2.gz QRONCXMNCAMVCK-UHFFFAOYSA-N 0 0 340.261 3.303 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2scnc21 ZINC001163062317 1382958683 /nfs/dbraw/zinc/95/86/83/1382958683.db2.gz LWLBBRGPLCCZHZ-UHFFFAOYSA-N 0 0 328.353 3.499 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001163241964 1383003162 /nfs/dbraw/zinc/00/31/62/1383003162.db2.gz JTQMZRVFLJDUDH-CQSZACIVSA-N 0 0 344.390 3.133 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cccc1F ZINC001163350103 1383028319 /nfs/dbraw/zinc/02/83/19/1383028319.db2.gz FMIBIOFUBPWUGX-UHFFFAOYSA-N 0 0 328.221 3.081 10 5 EGBERN Cn1c2ccccc2c(N2CC(C3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC001163397338 1383041746 /nfs/dbraw/zinc/04/17/46/1383041746.db2.gz MYHHROBSYXENRL-UHFFFAOYSA-N 0 0 341.411 3.463 10 5 EGBERN NC(=O)c1cc(N[C@H]2CCCc3c(F)cc(F)cc32)ccc1[N+](=O)[O-] ZINC001163396675 1383042286 /nfs/dbraw/zinc/04/22/86/1383042286.db2.gz DNAGQNLHAKVZAX-HNNXBMFYSA-N 0 0 347.321 3.461 10 5 EGBERN CN(CCc1nc2ccccc2[nH]1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001163576776 1383082976 /nfs/dbraw/zinc/08/29/76/1383082976.db2.gz HNEFCEMPJOOSDZ-UHFFFAOYSA-N 0 0 341.327 3.058 10 5 EGBERN C[C@@H](O)[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001163657130 1383096672 /nfs/dbraw/zinc/09/66/72/1383096672.db2.gz SNOCTOQCRYMODB-QLJPJBMISA-N 0 0 342.330 3.211 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC001163802626 1383123601 /nfs/dbraw/zinc/12/36/01/1383123601.db2.gz WWKRKODKNLRALL-UHFFFAOYSA-N 0 0 336.779 3.300 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(Sc2ccccc2O)c2ccccc21 ZINC001163877900 1383132257 /nfs/dbraw/zinc/13/22/57/1383132257.db2.gz DEMXZIFWCCNFLX-UHFFFAOYSA-N 0 0 328.349 3.304 10 5 EGBERN CN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001163929781 1383136583 /nfs/dbraw/zinc/13/65/83/1383136583.db2.gz NAWDHWSLQBBHDB-CYBMUJFWSA-N 0 0 339.823 3.051 10 5 EGBERN O=Cc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])c(F)c1F ZINC001164114616 1383157672 /nfs/dbraw/zinc/15/76/72/1383157672.db2.gz QOUNDMGMYVCBFZ-UHFFFAOYSA-N 0 0 325.252 3.187 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H](O)Cc1ccc(F)cc1)CCCC2 ZINC001164151639 1383161061 /nfs/dbraw/zinc/16/10/61/1383161061.db2.gz FACXXSRCQMRAFJ-OAHLLOKOSA-N 0 0 345.374 3.023 10 5 EGBERN O=c1[nH]cc(CNc2nc3ccccn3c2[N+](=O)[O-])c2ccccc12 ZINC001164170343 1383162470 /nfs/dbraw/zinc/16/24/70/1383162470.db2.gz MRYVMDCCHMRNHG-UHFFFAOYSA-N 0 0 335.323 3.108 10 5 EGBERN Cc1cccc(NCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001164200704 1383165476 /nfs/dbraw/zinc/16/54/76/1383165476.db2.gz FVPJSZDCPULNSZ-UHFFFAOYSA-N 0 0 327.388 3.096 10 5 EGBERN COC[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C(C)C ZINC001164205826 1383165855 /nfs/dbraw/zinc/16/58/55/1383165855.db2.gz JMVDEGXINXEVTR-JTQLQIEISA-N 0 0 344.795 3.365 10 5 EGBERN CCOc1cc(N[C@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1[N+](=O)[O-] ZINC001164226562 1383168587 /nfs/dbraw/zinc/16/85/87/1383168587.db2.gz VEAZSCJCLFIATG-SSDOTTSWSA-N 0 0 345.281 3.304 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(Cc3cccc(Br)c3)C2)cn1 ZINC001164276341 1383173888 /nfs/dbraw/zinc/17/38/88/1383173888.db2.gz LZTVISRKSUHUEP-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN Cc1nn(C)c(N[C@@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001164293730 1383175393 /nfs/dbraw/zinc/17/53/93/1383175393.db2.gz FRUYBKMAGWCHFP-INIZCTEOSA-N 0 0 337.383 3.428 10 5 EGBERN Cn1c(=O)c2cc3ccccc3cc2nc1SCCc1cn[nH]c1 ZINC001165297584 1383268139 /nfs/dbraw/zinc/26/81/39/1383268139.db2.gz VHRLSBAQKPLPCX-UHFFFAOYSA-N 0 0 336.420 3.145 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001165397530 1383286270 /nfs/dbraw/zinc/28/62/70/1383286270.db2.gz UNPXMAOUDXTHCS-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN COC(=O)c1cc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cs1 ZINC001165840811 1383351636 /nfs/dbraw/zinc/35/16/36/1383351636.db2.gz KJAUQYIWUSTQOB-UHFFFAOYSA-N 0 0 331.353 3.149 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1ccc(F)cc1Cl ZINC001166155945 1383395507 /nfs/dbraw/zinc/39/55/07/1383395507.db2.gz VBWXRAUBCCWJDA-UHFFFAOYSA-N 0 0 339.735 3.207 10 5 EGBERN CCOC(=O)c1cc(COc2cc(C)c([N+](=O)[O-])cc2Cl)on1 ZINC001166156438 1383396335 /nfs/dbraw/zinc/39/63/35/1383396335.db2.gz YHHGQKKGNZJLLD-UHFFFAOYSA-N 0 0 340.719 3.300 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCSc2ccc(Cl)cc2)n1 ZINC001166235559 1383405772 /nfs/dbraw/zinc/40/57/72/1383405772.db2.gz UGLYTNRBRBJEKQ-UHFFFAOYSA-N 0 0 328.737 3.145 10 5 EGBERN CCc1cc(SCCn2cc([N+](=O)[O-])ccc2=O)c(C)cc1OC ZINC001166632363 1383450752 /nfs/dbraw/zinc/45/07/52/1383450752.db2.gz XMBULAYHNSXRMD-UHFFFAOYSA-N 0 0 348.424 3.428 10 5 EGBERN CCC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC001299213828 1383487761 /nfs/dbraw/zinc/48/77/61/1383487761.db2.gz UXXMOYYPSKGHIK-INIZCTEOSA-N 0 0 342.399 3.479 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3ccc(F)cn3)n2)c1 ZINC001166880290 1383492481 /nfs/dbraw/zinc/49/24/81/1383492481.db2.gz VTHTZBDQBUUDIN-UHFFFAOYSA-N 0 0 333.710 3.089 10 5 EGBERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001299438771 1383531022 /nfs/dbraw/zinc/53/10/22/1383531022.db2.gz OIFVJPAGXFSRHE-CJNGLKHVSA-N 0 0 346.770 3.290 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1coc2cc(O)ccc21 ZINC001299861981 1383632584 /nfs/dbraw/zinc/63/25/84/1383632584.db2.gz DBIZGEQFSFDAFI-UHFFFAOYSA-N 0 0 327.296 3.341 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001299922287 1383635417 /nfs/dbraw/zinc/63/54/17/1383635417.db2.gz NSRQWLYBTSMLRB-BJMVGYQFSA-N 0 0 348.362 3.315 10 5 EGBERN Cc1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2F)c1[N+](=O)[O-] ZINC001302520058 1383756301 /nfs/dbraw/zinc/75/63/01/1383756301.db2.gz GBWGGQJFUUIWBB-UHFFFAOYSA-N 0 0 347.133 3.002 10 5 EGBERN Cc1n[nH]c(C(=O)NCC2(c3cccc(Cl)c3)CCC2)c1[N+](=O)[O-] ZINC001302574197 1383758515 /nfs/dbraw/zinc/75/85/15/1383758515.db2.gz PYUXSLWEHWSCGN-UHFFFAOYSA-N 0 0 348.790 3.131 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001302925867 1383773499 /nfs/dbraw/zinc/77/34/99/1383773499.db2.gz HROVASLKAGPFGL-AWEZNQCLSA-N 0 0 341.367 3.028 10 5 EGBERN CCC[C@@H](C)CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528731 1383802793 /nfs/dbraw/zinc/80/27/93/1383802793.db2.gz OUMDBBLISFGHIL-GFCCVEGCSA-N 0 0 332.404 3.346 10 5 EGBERN C[C@@H]1CC[C@H](CC(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001303528600 1383802906 /nfs/dbraw/zinc/80/29/06/1383802906.db2.gz NZDRQNZADGAADH-OLZOCXBDSA-N 0 0 344.415 3.346 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2COCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001304134262 1383835809 /nfs/dbraw/zinc/83/58/09/1383835809.db2.gz CSFVGYVFJLDOIY-CYBMUJFWSA-N 0 0 344.371 3.003 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2ncc([N+](=O)[O-])cc2F)c(OC)c1 ZINC001306924353 1383921161 /nfs/dbraw/zinc/92/11/61/1383921161.db2.gz MOQCPFBHJSTGGT-XQRVVYSFSA-N 0 0 348.286 3.116 10 5 EGBERN Cc1cc(NCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001306928730 1383921892 /nfs/dbraw/zinc/92/18/92/1383921892.db2.gz VYADUBKWVLJAGS-UHFFFAOYSA-N 0 0 346.456 3.199 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(C)c(OC)c2)c1 ZINC001306973716 1383928700 /nfs/dbraw/zinc/92/87/00/1383928700.db2.gz AJBRRSRNENJAOT-UHFFFAOYSA-N 0 0 344.367 3.353 10 5 EGBERN CCn1c(=O)c(Oc2cc(F)cc([N+](=O)[O-])c2)nc2ccccc21 ZINC001307075203 1383937004 /nfs/dbraw/zinc/93/70/04/1383937004.db2.gz NYQHPJLJNWIANC-UHFFFAOYSA-N 0 0 329.287 3.256 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC001307178688 1383951268 /nfs/dbraw/zinc/95/12/68/1383951268.db2.gz OMGQDOUBMDKQHX-CVEARBPZSA-N 0 0 334.372 3.141 10 5 EGBERN Cc1cc(N[C@H]2CCS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307224241 1383960518 /nfs/dbraw/zinc/96/05/18/1383960518.db2.gz BTYJANUFIIUXLA-OCCSQVGLSA-N 0 0 344.440 3.478 10 5 EGBERN O=c1[nH]c2ccccc2cc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC001307233361 1383961763 /nfs/dbraw/zinc/96/17/63/1383961763.db2.gz CXZKQOYVYUZIJQ-UHFFFAOYSA-N 0 0 335.323 3.108 10 5 EGBERN COC(=O)c1cc(Cl)ncc1OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001307342613 1383974292 /nfs/dbraw/zinc/97/42/92/1383974292.db2.gz ZWMVEFFKINTWBW-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN COc1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)ccc1C ZINC001307360619 1383976903 /nfs/dbraw/zinc/97/69/03/1383976903.db2.gz NLAWGUDBXGHYGM-UHFFFAOYSA-N 0 0 328.368 3.001 10 5 EGBERN CCN(CC)C(=O)OCSCCOc1ccc([N+](=O)[O-])cc1 ZINC001307376990 1383979490 /nfs/dbraw/zinc/97/94/90/1383979490.db2.gz JROIHDIACAOGJS-UHFFFAOYSA-N 0 0 328.390 3.143 10 5 EGBERN CC[C@@](O)(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538039 1383998732 /nfs/dbraw/zinc/99/87/32/1383998732.db2.gz QEPOOOOANIDCSW-CQSZACIVSA-N 0 0 332.322 3.263 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC001307661298 1384009808 /nfs/dbraw/zinc/00/98/08/1384009808.db2.gz PRXLBAVRDBTYOV-JSGCOSHPSA-N 0 0 330.306 3.457 10 5 EGBERN Cc1c(NC(=O)[C@H](C)N2Cc3ccccc3CO2)cccc1[N+](=O)[O-] ZINC001308018496 1384075728 /nfs/dbraw/zinc/07/57/28/1384075728.db2.gz DRMVNXNPOBZQQM-ZDUSSCGKSA-N 0 0 341.367 3.178 10 5 EGBERN C=COc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC001310860767 1384243284 /nfs/dbraw/zinc/24/32/84/1384243284.db2.gz JIMMDFCECYKGHR-UHFFFAOYSA-N 0 0 327.340 3.481 10 5 EGBERN CC[C@@H](NC(=O)NC[C@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001312312818 1384339237 /nfs/dbraw/zinc/33/92/37/1384339237.db2.gz CKYWISDAPBHIMM-NUJGCVRESA-N 0 0 349.431 3.286 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001313238339 1384404683 /nfs/dbraw/zinc/40/46/83/1384404683.db2.gz QDLDCCGYGIUJQM-YWPYICTPSA-N 0 0 347.371 3.060 10 5 EGBERN CCc1onc(C)c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001313339640 1384411608 /nfs/dbraw/zinc/41/16/08/1384411608.db2.gz XWMPRMLKXXMNQJ-UHFFFAOYSA-N 0 0 346.387 3.188 10 5 EGBERN C[C@](CO)(NC(=O)CCCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001171453584 1384527703 /nfs/dbraw/zinc/52/77/03/1384527703.db2.gz UZWPYTOTJDZUOB-GOSISDBHSA-N 0 0 334.416 3.279 10 5 EGBERN CCSc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC001176027795 1385465058 /nfs/dbraw/zinc/46/50/58/1385465058.db2.gz BQWSQUCQVPBDHR-UHFFFAOYSA-N 0 0 349.387 3.358 10 5 EGBERN O=C(NCCC[C@H]1C=CCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001176909672 1385739973 /nfs/dbraw/zinc/73/99/73/1385739973.db2.gz CKAJRMJPOJNIDC-JTQLQIEISA-N 0 0 332.385 3.076 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C ZINC001177326034 1385915364 /nfs/dbraw/zinc/91/53/64/1385915364.db2.gz BZFUDEWEIKJWIA-LBPRGKRZSA-N 0 0 343.383 3.293 10 5 EGBERN CON(Cc1ccc(C)o1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001178295102 1386182367 /nfs/dbraw/zinc/18/23/67/1386182367.db2.gz AKOISACUFJMCPQ-UHFFFAOYSA-N 0 0 332.356 3.364 10 5 EGBERN C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001178521935 1386241201 /nfs/dbraw/zinc/24/12/01/1386241201.db2.gz HXGPWGTUAVQMRD-CMPLNLGQSA-N 0 0 348.790 3.380 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nc(C)c1 ZINC001320094906 1386507952 /nfs/dbraw/zinc/50/79/52/1386507952.db2.gz NOVQSNXDKGPHRC-UHFFFAOYSA-N 0 0 331.397 3.393 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H]1c2ccccc2OC[C@H]1C ZINC001320242783 1386562328 /nfs/dbraw/zinc/56/23/28/1386562328.db2.gz SPGBDNXNTCKXPM-HWPZZCPQSA-N 0 0 328.324 3.225 10 5 EGBERN CCCCOc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC001182433578 1387165424 /nfs/dbraw/zinc/16/54/24/1387165424.db2.gz IYCPSNRBULWTRE-UHFFFAOYSA-N 0 0 344.367 3.409 10 5 EGBERN COc1ccc([N+](=O)[O-])c(-c2nnc(CCOc3ccccc3)o2)c1 ZINC001322571297 1387207086 /nfs/dbraw/zinc/20/70/86/1387207086.db2.gz KROMEUQGFHNZKC-UHFFFAOYSA-N 0 0 341.323 3.275 10 5 EGBERN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cn2)c2c1[C@H](C)CC2=O ZINC001322587676 1387209821 /nfs/dbraw/zinc/20/98/21/1387209821.db2.gz KLKCOZJXKWPJIO-SNVBAGLBSA-N 0 0 326.308 3.207 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001322647768 1387218601 /nfs/dbraw/zinc/21/86/01/1387218601.db2.gz JXRFQGFXGYRIBR-OLZOCXBDSA-N 0 0 333.388 3.101 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001322647769 1387218607 /nfs/dbraw/zinc/21/86/07/1387218607.db2.gz JXRFQGFXGYRIBR-QWHCGFSZSA-N 0 0 333.388 3.101 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1nccn3nc(C4CC4)cc13)CC2 ZINC001329288302 1389050081 /nfs/dbraw/zinc/05/00/81/1389050081.db2.gz XFGAOTQAXFHZGY-UHFFFAOYSA-N 0 0 335.367 3.078 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001330634354 1389478059 /nfs/dbraw/zinc/47/80/59/1389478059.db2.gz XOUZRZIABUSXMM-ZWKOTPCHSA-N 0 0 340.379 3.241 10 5 EGBERN O=C(CC(F)(F)C(F)F)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001339071103 1389885489 /nfs/dbraw/zinc/88/54/89/1389885489.db2.gz URBKIOTXNXSESJ-UHFFFAOYSA-N 0 0 342.676 3.197 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001332179722 1390024359 /nfs/dbraw/zinc/02/43/59/1390024359.db2.gz UNEBFIKJNNLJHE-MRXNPFEDSA-N 0 0 346.427 3.338 10 5 EGBERN C[C@H](NCCC(=O)N1CCC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233429 1390058255 /nfs/dbraw/zinc/05/82/55/1390058255.db2.gz XGCPNQAQTLKOPK-STQMWFEESA-N 0 0 337.395 3.033 10 5 EGBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001332720537 1390167507 /nfs/dbraw/zinc/16/75/07/1390167507.db2.gz QIBOUOBJEYEFJE-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN Cc1c(Cc2noc(C[C@@H]3CC(C)(C)CO3)n2)cccc1[N+](=O)[O-] ZINC001332737430 1390175613 /nfs/dbraw/zinc/17/56/13/1390175613.db2.gz ASTDFEWFQGQREG-CYBMUJFWSA-N 0 0 331.372 3.235 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001333152272 1390257183 /nfs/dbraw/zinc/25/71/83/1390257183.db2.gz AYLOHWLMCNEKON-UHFFFAOYSA-N 0 0 349.749 3.097 10 5 EGBERN Cc1ccc(C)c(OCc2nnc(-c3ccc([N+](=O)[O-])cn3)o2)c1 ZINC001341294153 1390466977 /nfs/dbraw/zinc/46/69/77/1390466977.db2.gz DGRIBUSUCCIFHS-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc2cc(OC)c(OC)cc2c1 ZINC001344996862 1390829642 /nfs/dbraw/zinc/82/96/42/1390829642.db2.gz BDFCZPAFKYMVJV-CQSZACIVSA-N 0 0 333.340 3.069 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001345278164 1390853170 /nfs/dbraw/zinc/85/31/70/1390853170.db2.gz FWNDYEMLSKHPHR-MNOVXSKESA-N 0 0 349.309 3.012 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 ZINC001345509189 1390863236 /nfs/dbraw/zinc/86/32/36/1390863236.db2.gz PWMBIYKHRRDRBD-UHFFFAOYSA-N 0 0 327.344 3.343 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@@H](F)C1 ZINC001345656446 1390872745 /nfs/dbraw/zinc/87/27/45/1390872745.db2.gz QEEIOMPSRCIMNA-GXFFZTMASA-N 0 0 339.319 3.033 10 5 EGBERN CC(C)(CCC(=O)OCCc1cc2cc(Cl)cnc2[nH]1)[N+](=O)[O-] ZINC001346187401 1390913980 /nfs/dbraw/zinc/91/39/80/1390913980.db2.gz SVHJKEUCLHEDLE-UHFFFAOYSA-N 0 0 339.779 3.138 10 5 EGBERN COC(=O)/C=C\c1ccc(NC2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001347257563 1391040957 /nfs/dbraw/zinc/04/09/57/1391040957.db2.gz JOFBCBZIVWYROI-QRDBSZQLSA-N 0 0 338.310 3.237 10 5 EGBERN CO[C@@]12CCC[C@]1(COC(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC001347298329 1391049795 /nfs/dbraw/zinc/04/97/95/1391049795.db2.gz GIWDNVKNXWULQE-QZTJIDSGSA-N 0 0 349.383 3.302 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001347370578 1391062283 /nfs/dbraw/zinc/06/22/83/1391062283.db2.gz OCDYMYLIAUWOTD-RDJZCZTQSA-N 0 0 346.383 3.154 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001348253615 1391192380 /nfs/dbraw/zinc/19/23/80/1391192380.db2.gz FYGYWMHULNUELL-ZFWWWQNUSA-N 0 0 338.791 3.422 10 5 EGBERN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 ZINC001348439660 1391220063 /nfs/dbraw/zinc/22/00/63/1391220063.db2.gz RAVKFHYVSHRZHS-UHFFFAOYSA-N 0 0 346.314 3.379 10 5 EGBERN COc1ccc2onc(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC001348469369 1391224261 /nfs/dbraw/zinc/22/42/61/1391224261.db2.gz SUUZROUNXLDXHU-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001349598140 1391344287 /nfs/dbraw/zinc/34/42/87/1391344287.db2.gz KEERLYOKFNKRFB-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC001349805380 1391369165 /nfs/dbraw/zinc/36/91/65/1391369165.db2.gz INZICCTXPIWFST-NSHDSACASA-N 0 0 336.369 3.031 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001349885839 1391380912 /nfs/dbraw/zinc/38/09/12/1391380912.db2.gz KSHQUVGOPADEEG-QWHCGFSZSA-N 0 0 345.286 3.384 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ncoc1-c1ccon1 ZINC001349884769 1391380994 /nfs/dbraw/zinc/38/09/94/1391380994.db2.gz YNDMWKYCLRLCHL-UHFFFAOYSA-N 0 0 328.284 3.107 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1COC[C@H]1c1ccccc1 ZINC001349887409 1391381340 /nfs/dbraw/zinc/38/13/40/1391381340.db2.gz XYHATMPKSRKANI-KBPBESRZSA-N 0 0 330.315 3.103 10 5 EGBERN COc1ccc(COC(=O)c2cccc3c2COCC3)cc1[N+](=O)[O-] ZINC001350125871 1391417018 /nfs/dbraw/zinc/41/70/18/1391417018.db2.gz NGTCPTZEOIVLGS-UHFFFAOYSA-N 0 0 343.335 3.033 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cc([N+](=O)[O-])c1 ZINC001350262316 1391438438 /nfs/dbraw/zinc/43/84/38/1391438438.db2.gz LTFXUSYFHSPHOK-CYBMUJFWSA-N 0 0 343.387 3.048 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)=O)cs1 ZINC001350975542 1391571340 /nfs/dbraw/zinc/57/13/40/1391571340.db2.gz AWJDFTHSFZSHKU-UHFFFAOYSA-N 0 0 337.382 3.228 10 5 EGBERN O=C(Cc1cccc2cnccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC001351282805 1391620922 /nfs/dbraw/zinc/62/09/22/1391620922.db2.gz IKUKPGOMSQKLKJ-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CO[C@H](C4CC4)C3)c2c1 ZINC001351364822 1391632362 /nfs/dbraw/zinc/63/23/62/1391632362.db2.gz QSFATPVVDMYJEX-ZANVPECISA-N 0 0 334.763 3.171 10 5 EGBERN O=C(c1ncc2cc(Cl)ccn21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351660677 1391666031 /nfs/dbraw/zinc/66/60/31/1391666031.db2.gz FVRZJPKVFVPABB-UHFFFAOYSA-N 0 0 342.742 3.099 10 5 EGBERN Cc1cc(O)ccc1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001351675674 1391668928 /nfs/dbraw/zinc/66/89/28/1391668928.db2.gz BYLWRMVCHGGIED-UHFFFAOYSA-N 0 0 340.379 3.343 10 5 EGBERN COC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001351692927 1391672586 /nfs/dbraw/zinc/67/25/86/1391672586.db2.gz KDKYORVFFIYTCC-UHFFFAOYSA-N 0 0 344.367 3.211 10 5 EGBERN COc1ccc(OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1F ZINC001351797342 1391691671 /nfs/dbraw/zinc/69/16/71/1391691671.db2.gz FMOTVIWOMPUZOW-UHFFFAOYSA-N 0 0 335.287 3.279 10 5 EGBERN CC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001352409950 1391794322 /nfs/dbraw/zinc/79/43/22/1391794322.db2.gz OIJDPMNKNFFPDF-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c(C3CCC3)cnn2C)c1C ZINC001353730430 1392077798 /nfs/dbraw/zinc/07/77/98/1392077798.db2.gz XVVYTGPHVMCEDH-UHFFFAOYSA-N 0 0 342.399 3.143 10 5 EGBERN CCOc1cccc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001354356762 1392139821 /nfs/dbraw/zinc/13/98/21/1392139821.db2.gz JWLHXOSVHCVNPH-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cn1cc(-c2ccc(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)cn1 ZINC001354841707 1392172214 /nfs/dbraw/zinc/17/22/14/1392172214.db2.gz QUVDLCIYHHMCEC-UHFFFAOYSA-N 0 0 348.362 3.151 10 5 EGBERN O=C(CCc1nnc(C(F)F)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001355005505 1392184903 /nfs/dbraw/zinc/18/49/03/1392184903.db2.gz YAMNXFMNJLWLOJ-UHFFFAOYSA-N 0 0 346.677 3.140 10 5 EGBERN CCN(CCNC(=O)c1c(C)coc1C)Cc1ccccc1[N+](=O)[O-] ZINC001492948842 1396329394 /nfs/dbraw/zinc/32/93/94/1396329394.db2.gz XYPFAIYQIDWMLY-UHFFFAOYSA-N 0 0 345.399 3.057 10 5 EGBERN CC[C@@H]1CN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001687733624 1396474907 /nfs/dbraw/zinc/47/49/07/1396474907.db2.gz TZHUKMITNWEXML-RRFJBIMHSA-N 0 0 349.431 3.297 10 5 EGBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001695222779 1406085554 /nfs/dbraw/zinc/08/55/54/1406085554.db2.gz HMUGVFOFNGBYMK-UHFFFAOYSA-N 0 0 327.388 3.420 10 5 EGBERN CC(C)CC(=O)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001700970774 1414595318 /nfs/dbraw/zinc/59/53/18/1414595318.db2.gz YJMVBKNEPHQEHF-UHFFFAOYSA-N 0 0 341.477 3.371 10 5 EGBERN CCCCCC(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701042685 1414700242 /nfs/dbraw/zinc/70/02/42/1414700242.db2.gz KKPRIWAPGSCTNQ-UHFFFAOYSA-N 0 0 345.443 3.423 10 5 EGBERN CC(C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)=C1CCC1 ZINC001713556606 1418349469 /nfs/dbraw/zinc/34/94/69/1418349469.db2.gz USBOKDIATLYAHR-UHFFFAOYSA-N 0 0 343.427 3.176 10 5 EGBERN CCC1(C(=O)N(C)C2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001723802075 1424571827 /nfs/dbraw/zinc/57/18/27/1424571827.db2.gz AAKUDPQBQAJLMQ-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCC(C)C ZINC001727572208 1427114969 /nfs/dbraw/zinc/11/49/69/1427114969.db2.gz ZBNFNAFQMNPJND-UHFFFAOYSA-N 0 0 343.431 3.358 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2CF)C1 ZINC001743137742 1439544733 /nfs/dbraw/zinc/54/47/33/1439544733.db2.gz PMMAVLGGFNZXBY-OSAQELSMSA-N 0 0 345.378 3.230 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CC1(C)C ZINC001744550301 1439664169 /nfs/dbraw/zinc/66/41/69/1439664169.db2.gz YGHSZIKPTLQAAJ-AWEZNQCLSA-N 0 0 343.431 3.431 10 5 EGBERN CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1[C@@H]1C[C@H]1CF ZINC001750611198 1440107272 /nfs/dbraw/zinc/10/72/72/1440107272.db2.gz PGFDBPSMXTYOEJ-DZGCQCFKSA-N 0 0 347.394 3.477 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OC ZINC001766619325 1441402770 /nfs/dbraw/zinc/40/27/70/1441402770.db2.gz HQMMGIKJGCNKBC-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN Cc1ccnc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000368295240 168340190 /nfs/dbraw/zinc/34/01/90/168340190.db2.gz ZTUHTGMHSMXBGJ-UHFFFAOYSA-N 0 0 341.371 3.105 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000054129707 214217577 /nfs/dbraw/zinc/21/75/77/214217577.db2.gz WIAKQNXINHSFPS-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172970793 230855554 /nfs/dbraw/zinc/85/55/54/230855554.db2.gz BNZOTCOQEJFKSH-NSHDSACASA-N 0 0 334.397 3.300 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2SC[C@H]1C ZINC000176648987 282167824 /nfs/dbraw/zinc/16/78/24/282167824.db2.gz GNKZTJPUQCFBGL-SNVBAGLBSA-N 0 0 329.381 3.439 10 5 EGBERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000174999333 231362941 /nfs/dbraw/zinc/36/29/41/231362941.db2.gz RFJGKSUSZZNDNH-UHFFFAOYSA-N 0 0 342.355 3.055 10 5 EGBERN CC[C@@H](NC(=O)N(CC)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000176699737 529606271 /nfs/dbraw/zinc/60/62/71/529606271.db2.gz JNFUOWWTGFAPPZ-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN CCc1nc(C2(NCCc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000173697222 529731506 /nfs/dbraw/zinc/73/15/06/529731506.db2.gz SIPRDUDJUJXPHV-UHFFFAOYSA-N 0 0 330.388 3.142 10 5 EGBERN CNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000040595920 213357136 /nfs/dbraw/zinc/35/71/36/213357136.db2.gz UHICNFFWBYYGBO-UHFFFAOYSA-N 0 0 342.128 3.072 10 5 EGBERN Cc1csc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000069659643 215522597 /nfs/dbraw/zinc/52/25/97/215522597.db2.gz OTLMRVDIFXALJO-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000183915514 235260004 /nfs/dbraw/zinc/26/00/04/235260004.db2.gz XSEVORLKBLYOPL-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN Cc1csc(CNCc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000038091477 213200778 /nfs/dbraw/zinc/20/07/78/213200778.db2.gz GDCPWGBQFLZUOU-UHFFFAOYSA-N 0 0 342.218 3.412 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC000071800036 215836915 /nfs/dbraw/zinc/83/69/15/215836915.db2.gz OJUPVLPORKFWLM-UHFFFAOYSA-N 0 0 344.352 3.434 10 5 EGBERN O=C(C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCC1 ZINC000032857653 212857732 /nfs/dbraw/zinc/85/77/32/212857732.db2.gz VRPNDCLDCBVOGJ-UHFFFAOYSA-N 0 0 337.807 3.087 10 5 EGBERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191488381 239142586 /nfs/dbraw/zinc/14/25/86/239142586.db2.gz BGHJIYKFPDQEGT-GWCFXTLKSA-N 0 0 347.396 3.472 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000075140952 216578636 /nfs/dbraw/zinc/57/86/36/216578636.db2.gz NOPDEAZRUPDUBU-SFHVURJKSA-N 0 0 348.362 3.037 10 5 EGBERN CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000193834924 240326935 /nfs/dbraw/zinc/32/69/35/240326935.db2.gz XHHUXYRVAPNZQL-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CCC(F)(F)CC1 ZINC000344339482 241695265 /nfs/dbraw/zinc/69/52/65/241695265.db2.gz UEPZGRDRNUSZSQ-UHFFFAOYSA-N 0 0 348.296 3.357 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000408372877 296219418 /nfs/dbraw/zinc/21/94/18/296219418.db2.gz BTBKDGNLXVVZFQ-UKRRQHHQSA-N 0 0 329.400 3.210 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)cc1 ZINC000376353335 168894974 /nfs/dbraw/zinc/89/49/74/168894974.db2.gz QBOHQPXUOCDQCZ-CQSZACIVSA-N 0 0 325.368 3.115 10 5 EGBERN O=C([C@H]1CCCc2cccnc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000194763060 284560116 /nfs/dbraw/zinc/56/01/16/284560116.db2.gz QGWQKTAISHJUNT-HNNXBMFYSA-N 0 0 337.379 3.389 10 5 EGBERN Cc1sc(C(=O)NCCc2nc3c(cccc3C)o2)cc1[N+](=O)[O-] ZINC000266328094 248250268 /nfs/dbraw/zinc/25/02/68/248250268.db2.gz JDYMFSIEKZRVIA-UHFFFAOYSA-N 0 0 345.380 3.387 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000363745820 296263095 /nfs/dbraw/zinc/26/30/95/296263095.db2.gz QDTRLCJDUJKIKG-IBGZPJMESA-N 0 0 338.363 3.257 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000378387354 169111733 /nfs/dbraw/zinc/11/17/33/169111733.db2.gz DEGKEUXTDUSDEN-SWLSCSKDSA-N 0 0 332.381 3.164 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378403391 169115424 /nfs/dbraw/zinc/11/54/24/169115424.db2.gz YCMXLTVBYXONCP-OLZOCXBDSA-N 0 0 338.429 3.244 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]2COCC[C@H]21 ZINC000408001046 169155590 /nfs/dbraw/zinc/15/55/90/169155590.db2.gz MEIUQYXAGGBQBY-SMDDNHRTSA-N 0 0 346.408 3.451 10 5 EGBERN Cc1c(C(=O)N2CCO[C@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000408198568 169164931 /nfs/dbraw/zinc/16/49/31/169164931.db2.gz NOUFOVIJWOIYRD-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@]2(CCCOC2)C1 ZINC000408222090 169166366 /nfs/dbraw/zinc/16/63/66/169166366.db2.gz OHRDDKCKEJHRJO-SFHVURJKSA-N 0 0 343.383 3.109 10 5 EGBERN CC[C@H](NC(=O)NCC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090616096 217946148 /nfs/dbraw/zinc/94/61/48/217946148.db2.gz ROLOIFQQRCJBBU-HNNXBMFYSA-N 0 0 335.404 3.162 10 5 EGBERN COc1cc(CN2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453570 218225808 /nfs/dbraw/zinc/22/58/08/218225808.db2.gz XFZFZYZBMGNCTE-OAHLLOKOSA-N 0 0 343.383 3.350 10 5 EGBERN COC(=O)c1c(C)cccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000009390139 211078857 /nfs/dbraw/zinc/07/88/57/211078857.db2.gz BZTRFDKPHUHDJU-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCOc1ccc(F)cc1 ZINC000006012591 210577424 /nfs/dbraw/zinc/57/74/24/210577424.db2.gz CFCYZVPPTPUKCA-XCVCLJGOSA-N 0 0 331.299 3.369 10 5 EGBERN CS(=O)(=O)c1ccc(NCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004905918 210318947 /nfs/dbraw/zinc/31/89/47/210318947.db2.gz NCDDKYVJGXJUBZ-UHFFFAOYSA-N 0 0 334.397 3.043 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC000153618083 224131803 /nfs/dbraw/zinc/13/18/03/224131803.db2.gz OGWLLVXMLXMRRB-OAHLLOKOSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1ccc(OCC(=O)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])n1 ZINC000004891725 210313644 /nfs/dbraw/zinc/31/36/44/210313644.db2.gz MEKWNFRGPPHKGY-UHFFFAOYSA-N 0 0 326.352 3.439 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3n[nH]cc3C2)nc1-c1ccc(F)cc1 ZINC000362357719 285132093 /nfs/dbraw/zinc/13/20/93/285132093.db2.gz FYKSPCMYNMOBHU-UHFFFAOYSA-N 0 0 339.330 3.082 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)nc1 ZINC000373381441 285181001 /nfs/dbraw/zinc/18/10/01/285181001.db2.gz CGGVHNWXKHNYLQ-CQSZACIVSA-N 0 0 328.376 3.186 10 5 EGBERN CCN(C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115656846 220885501 /nfs/dbraw/zinc/88/55/01/220885501.db2.gz OMUSNMJEHMKJHV-ZDUSSCGKSA-N 0 0 328.372 3.283 10 5 EGBERN Cc1c(CC(=O)Nc2ccnn2[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000119483805 221331241 /nfs/dbraw/zinc/33/12/41/221331241.db2.gz FNKQAQIXEPMMQK-GFCCVEGCSA-N 0 0 328.372 3.252 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000337066108 291990837 /nfs/dbraw/zinc/99/08/37/291990837.db2.gz WMLZIMNCBGUDEI-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3nccs3)C2)c(Cl)c1 ZINC000182162193 140979933 /nfs/dbraw/zinc/97/99/33/140979933.db2.gz LZVTWUBLHDOTHZ-ZDUSSCGKSA-N 0 0 339.804 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000338013470 141073596 /nfs/dbraw/zinc/07/35/96/141073596.db2.gz AZCBWVMPEHUGCN-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1scnc1C1CC1 ZINC000338155168 141104581 /nfs/dbraw/zinc/10/45/81/141104581.db2.gz UHOMDWFSKKICTG-UHFFFAOYSA-N 0 0 331.397 3.243 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000341177985 141132260 /nfs/dbraw/zinc/13/22/60/141132260.db2.gz AOKDTDIMPNKLTB-VIFPVBQESA-N 0 0 327.340 3.360 10 5 EGBERN C[C@H](NC(=O)c1coc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000341260844 141145558 /nfs/dbraw/zinc/14/55/58/141145558.db2.gz MYZAYKSYJDUEGM-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000344481726 141162554 /nfs/dbraw/zinc/16/25/54/141162554.db2.gz WRMKYLHNCMFHOW-UHFFFAOYSA-N 0 0 340.339 3.187 10 5 EGBERN C[C@H](C(=O)NC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000344528163 141169288 /nfs/dbraw/zinc/16/92/88/141169288.db2.gz MVICYJXDQMHTHH-LBPRGKRZSA-N 0 0 338.379 3.039 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2C1 ZINC000344529443 141169584 /nfs/dbraw/zinc/16/95/84/141169584.db2.gz IKEBVDWFQDKKAQ-INIZCTEOSA-N 0 0 339.395 3.071 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOC1 ZINC000346215553 141182317 /nfs/dbraw/zinc/18/23/17/141182317.db2.gz BNNNPWWBNIZSDL-GFCCVEGCSA-N 0 0 338.429 3.396 10 5 EGBERN COc1cc2c(cc1F)CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000348793997 141247272 /nfs/dbraw/zinc/24/72/72/141247272.db2.gz NUPAFNHOIUWFKD-UHFFFAOYSA-N 0 0 346.358 3.180 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000361006099 296521895 /nfs/dbraw/zinc/52/18/95/296521895.db2.gz AFDNXLDVXGHUTO-OAHLLOKOSA-N 0 0 337.738 3.360 10 5 EGBERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000048804378 142572010 /nfs/dbraw/zinc/57/20/10/142572010.db2.gz JSKWQJIQICWQCD-CYBMUJFWSA-N 0 0 341.367 3.028 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccn2)CC1 ZINC000171611525 144007519 /nfs/dbraw/zinc/00/75/19/144007519.db2.gz KSWQJNYWWGIZLC-UHFFFAOYSA-N 0 0 325.368 3.085 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000173445565 144042133 /nfs/dbraw/zinc/04/21/33/144042133.db2.gz FFDNQKCEQDGJEN-CQSZACIVSA-N 0 0 344.371 3.007 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1Cc2ccccc2C2(CC2)C1 ZINC000187440687 144159065 /nfs/dbraw/zinc/15/90/65/144159065.db2.gz VDAGHRRHLQVYFT-UHFFFAOYSA-N 0 0 326.327 3.422 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000192513509 144175559 /nfs/dbraw/zinc/17/55/59/144175559.db2.gz KESKSKAWPSPOTE-NSHDSACASA-N 0 0 325.777 3.362 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(c2ccccc2F)C1 ZINC000361665696 144347072 /nfs/dbraw/zinc/34/70/72/144347072.db2.gz DOMSBBACBBUSJJ-UHFFFAOYSA-N 0 0 345.330 3.374 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccco1 ZINC000116292923 152054741 /nfs/dbraw/zinc/05/47/41/152054741.db2.gz POQKOKUCBHWNTQ-HNNXBMFYSA-N 0 0 329.356 3.272 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(=O)Nc2ccccc21 ZINC000118656000 152147344 /nfs/dbraw/zinc/14/73/44/152147344.db2.gz VQHDJLVNRBTHMG-UHFFFAOYSA-N 0 0 345.742 3.237 10 5 EGBERN CCOc1cc(C(=O)Nc2c(C)onc2CC)c([N+](=O)[O-])cc1OC ZINC000120894864 152307999 /nfs/dbraw/zinc/30/79/99/152307999.db2.gz JUDXMYFZAKYJAJ-UHFFFAOYSA-N 0 0 349.343 3.113 10 5 EGBERN CCC1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000121420593 152348989 /nfs/dbraw/zinc/34/89/89/152348989.db2.gz PSMSLUNGCKTNDC-UHFFFAOYSA-N 0 0 336.388 3.067 10 5 EGBERN COc1cc(NCCC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000154492990 152587264 /nfs/dbraw/zinc/58/72/64/152587264.db2.gz GSLGTBRMXLFDPJ-ABAIWWIYSA-N 0 0 326.368 3.486 10 5 EGBERN O=C(c1cccc2ncccc21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188576018 153021782 /nfs/dbraw/zinc/02/17/82/153021782.db2.gz PVLXTKHYTDHTJY-UHFFFAOYSA-N 0 0 349.346 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000189242950 153059558 /nfs/dbraw/zinc/05/95/58/153059558.db2.gz MLVIIAQMQBKKCW-UHFFFAOYSA-N 0 0 339.355 3.322 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189615157 153084984 /nfs/dbraw/zinc/08/49/84/153084984.db2.gz QZUJOJVAKOTGDT-GHMZBOCLSA-N 0 0 347.346 3.118 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nccn1CC(C)C ZINC000191344899 153188843 /nfs/dbraw/zinc/18/88/43/153188843.db2.gz DYFZUNJUBSRSKR-UHFFFAOYSA-N 0 0 345.403 3.386 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ncc(-c2ccccc2)cn1 ZINC000192770699 153258449 /nfs/dbraw/zinc/25/84/49/153258449.db2.gz ZUJQCAQOTIHIDC-UHFFFAOYSA-N 0 0 338.371 3.189 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-n1cccn1 ZINC000194495599 153339872 /nfs/dbraw/zinc/33/98/72/153339872.db2.gz SXYYKHZWRCOUPA-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@H](c1cccnc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341630708 155390007 /nfs/dbraw/zinc/39/00/07/155390007.db2.gz GDNRFEOEBJDVOZ-SNVBAGLBSA-N 0 0 335.310 3.030 10 5 EGBERN CNc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000321594763 154168213 /nfs/dbraw/zinc/16/82/13/154168213.db2.gz DQXGQICONHGWNM-SECBINFHSA-N 0 0 331.294 3.051 10 5 EGBERN O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000336904229 154235671 /nfs/dbraw/zinc/23/56/71/154235671.db2.gz SLUYZFQCUYCKBE-INIZCTEOSA-N 0 0 336.351 3.005 10 5 EGBERN CCCc1occc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000336939194 154242810 /nfs/dbraw/zinc/24/28/10/154242810.db2.gz WRIMVFDOZLPQNX-UHFFFAOYSA-N 0 0 341.327 3.178 10 5 EGBERN Cc1cn([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc1[N+](=O)[O-] ZINC000337936084 154570439 /nfs/dbraw/zinc/57/04/39/154570439.db2.gz DTMZKJJGYDRRRN-SECBINFHSA-N 0 0 333.735 3.412 10 5 EGBERN CSc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-] ZINC000341827046 155499887 /nfs/dbraw/zinc/49/98/87/155499887.db2.gz QIYLCRFBGVZRAZ-UHFFFAOYSA-N 0 0 344.396 3.312 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2nc(-c3cccs3)no2)n1 ZINC000343235539 155694398 /nfs/dbraw/zinc/69/43/98/155694398.db2.gz PPJBGTIFHCXLNN-UHFFFAOYSA-N 0 0 345.384 3.355 10 5 EGBERN Cc1cc(Cc2noc(-c3cn4ccnc4s3)n2)ccc1[N+](=O)[O-] ZINC000346862216 156168075 /nfs/dbraw/zinc/16/80/75/156168075.db2.gz CJCZOBVNQFQPEI-UHFFFAOYSA-N 0 0 341.352 3.253 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346861826 156168596 /nfs/dbraw/zinc/16/85/96/156168596.db2.gz GCLBLZKRWJDNGV-WCBMZHEXSA-N 0 0 347.293 3.408 10 5 EGBERN CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000349060484 156339058 /nfs/dbraw/zinc/33/90/58/156339058.db2.gz ZWKQORVNWNMGOT-MRXNPFEDSA-N 0 0 342.395 3.315 10 5 EGBERN CCc1c(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)ccn1C ZINC000362116063 157028995 /nfs/dbraw/zinc/02/89/95/157028995.db2.gz ZCZBHQQOKNHLHD-UHFFFAOYSA-N 0 0 338.367 3.027 10 5 EGBERN CO[C@](C)(CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000362211865 157076609 /nfs/dbraw/zinc/07/66/09/157076609.db2.gz DQFYQZSSOJNAQB-CQSZACIVSA-N 0 0 346.305 3.159 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)s1 ZINC000064245228 161561700 /nfs/dbraw/zinc/56/17/00/161561700.db2.gz FJWBAPMJYGSUJM-UHFFFAOYSA-N 0 0 344.439 3.071 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000105984388 162061313 /nfs/dbraw/zinc/06/13/13/162061313.db2.gz LEUCGZUIIUDTCA-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000108755886 162084083 /nfs/dbraw/zinc/08/40/83/162084083.db2.gz UXRVLMQWCISCPH-CYBMUJFWSA-N 0 0 327.384 3.276 10 5 EGBERN Nc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000111105032 162145636 /nfs/dbraw/zinc/14/56/36/162145636.db2.gz IFNMCMVOUILHIF-ZDUSSCGKSA-N 0 0 345.786 3.460 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccnc(OC)c3)no2)cc1[N+](=O)[O-] ZINC000114056854 162221146 /nfs/dbraw/zinc/22/11/46/162221146.db2.gz MSVVPLPZNJBRGO-UHFFFAOYSA-N 0 0 342.311 3.114 10 5 EGBERN Cc1c([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967458 162386334 /nfs/dbraw/zinc/38/63/34/162386334.db2.gz FPVVQANBXOYOOL-STQMWFEESA-N 0 0 329.404 3.243 10 5 EGBERN CSCC(C)(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000337036148 163110508 /nfs/dbraw/zinc/11/05/08/163110508.db2.gz HLZYMKUWFNAPCD-UHFFFAOYSA-N 0 0 333.413 3.201 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1cccc(C)c1)C(C)C ZINC000338657605 163308978 /nfs/dbraw/zinc/30/89/78/163308978.db2.gz AIKKVACTZSAQKB-UHFFFAOYSA-N 0 0 330.388 3.240 10 5 EGBERN CN1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767670 164029645 /nfs/dbraw/zinc/02/96/45/164029645.db2.gz OMIIUNDNDWDCFX-KRWDZBQOSA-N 0 0 341.367 3.420 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC=C(c3ccncc3)C2)c1 ZINC000343923555 164066736 /nfs/dbraw/zinc/06/67/36/164066736.db2.gz WBUAYVUIXRNQJC-UHFFFAOYSA-N 0 0 339.351 3.070 10 5 EGBERN CCc1cccc2c(CC(=O)N(C)c3ccc([N+](=O)[O-])nc3)c[nH]c21 ZINC000344218273 164129362 /nfs/dbraw/zinc/12/93/62/164129362.db2.gz XLCBNINMZGDONK-UHFFFAOYSA-N 0 0 338.367 3.239 10 5 EGBERN COc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])ccc1O ZINC000344224442 164130494 /nfs/dbraw/zinc/13/04/94/164130494.db2.gz PQGFKCIYZFDLEO-UHFFFAOYSA-N 0 0 346.339 3.025 10 5 EGBERN C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])nc2)c1)N1CCOCC1 ZINC000344425392 164175998 /nfs/dbraw/zinc/17/59/98/164175998.db2.gz VTURHARBKXBOBS-CYBMUJFWSA-N 0 0 328.372 3.127 10 5 EGBERN Cc1cc(C(=O)NCCCNc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000345717467 164251499 /nfs/dbraw/zinc/25/14/99/164251499.db2.gz VDXRRORSNYUYPX-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN Cc1sc(C(=O)NCCCNc2ccccc2F)cc1[N+](=O)[O-] ZINC000345738767 164255557 /nfs/dbraw/zinc/25/55/57/164255557.db2.gz ONRKQILNSYIRKP-UHFFFAOYSA-N 0 0 337.376 3.336 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1C ZINC000345890585 164288460 /nfs/dbraw/zinc/28/84/60/164288460.db2.gz RNPVKNSJBTYHSH-UHFFFAOYSA-N 0 0 329.356 3.484 10 5 EGBERN O=C(NCc1cccc2cc[nH]c21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000346070459 164330810 /nfs/dbraw/zinc/33/08/10/164330810.db2.gz MQRMOVYFPYDSTK-UHFFFAOYSA-N 0 0 334.335 3.487 10 5 EGBERN COc1cccc2c1[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000346229785 164360329 /nfs/dbraw/zinc/36/03/29/164360329.db2.gz FNHSAFBWJTWEJL-CYBMUJFWSA-N 0 0 342.351 3.281 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000347099442 164444009 /nfs/dbraw/zinc/44/40/09/164444009.db2.gz KWEZQDPIWCVFMH-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN Cc1ccncc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347285551 164473285 /nfs/dbraw/zinc/47/32/85/164473285.db2.gz SQASVSJNQDBOTE-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN O=C(Nc1nc(-c2ccccn2)cs1)c1csc([N+](=O)[O-])c1 ZINC000347460520 164504268 /nfs/dbraw/zinc/50/42/68/164504268.db2.gz XLASYRJSGXIFFO-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000354874679 166053344 /nfs/dbraw/zinc/05/33/44/166053344.db2.gz DEWMMHIRBPUEJR-HNNXBMFYSA-N 0 0 329.356 3.148 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccn(C2CCCCC2)n1 ZINC000348132533 164644295 /nfs/dbraw/zinc/64/42/95/164644295.db2.gz LHLVEPKJVJDUFW-UHFFFAOYSA-N 0 0 328.372 3.227 10 5 EGBERN CO[C@](C)(c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)C1CC1 ZINC000350439233 165051352 /nfs/dbraw/zinc/05/13/52/165051352.db2.gz UIJWQRVREYKCFP-KRWDZBQOSA-N 0 0 342.355 3.322 10 5 EGBERN COc1cc(CN2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000351976846 165175024 /nfs/dbraw/zinc/17/50/24/165175024.db2.gz CSAYZUDRZQULCG-SFHVURJKSA-N 0 0 328.368 3.177 10 5 EGBERN COc1cc(CN(Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984512 165177557 /nfs/dbraw/zinc/17/75/57/165177557.db2.gz NKSDRSMVXGFKGD-MRXNPFEDSA-N 0 0 346.383 3.378 10 5 EGBERN O=C(NCCc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])s1 ZINC000352417108 165390529 /nfs/dbraw/zinc/39/05/29/165390529.db2.gz MZQMWFPFFDZCFJ-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000352419201 165392227 /nfs/dbraw/zinc/39/22/27/165392227.db2.gz MWSKVWMIBGWKLW-MRXNPFEDSA-N 0 0 338.791 3.281 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353731880 165874303 /nfs/dbraw/zinc/87/43/03/165874303.db2.gz WNCSGDOGITYGRU-JTQLQIEISA-N 0 0 346.330 3.082 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ncccc1[O-] ZINC000355283293 166153671 /nfs/dbraw/zinc/15/36/71/166153671.db2.gz QWCYKMNJVARGBB-UKRRQHHQSA-N 0 0 327.384 3.196 10 5 EGBERN Nc1ccc(-c2noc(-c3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] ZINC000355423153 166194616 /nfs/dbraw/zinc/19/46/16/166194616.db2.gz CCFXGTGXCWYARU-UHFFFAOYSA-N 0 0 348.322 3.080 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc([C@H]2CCCOC2)cc1 ZINC000355467037 166209598 /nfs/dbraw/zinc/20/95/98/166209598.db2.gz AUIIXDCWFNSBCE-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000355474734 166213672 /nfs/dbraw/zinc/21/36/72/166213672.db2.gz NUIWCCUNCGNFKD-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN COc1c(C(=O)Nc2ccnn2[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355549161 166240566 /nfs/dbraw/zinc/24/05/66/166240566.db2.gz CVLGFPNQEWECAJ-SNVBAGLBSA-N 0 0 330.344 3.023 10 5 EGBERN CC(C)Oc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000355904350 166343352 /nfs/dbraw/zinc/34/33/52/166343352.db2.gz DLPUMGOXTSHSES-UHFFFAOYSA-N 0 0 343.383 3.092 10 5 EGBERN CN(C)C(=O)CCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356741477 166497025 /nfs/dbraw/zinc/49/70/25/166497025.db2.gz UYGMQULSFNJQBE-UHFFFAOYSA-N 0 0 335.404 3.089 10 5 EGBERN CC(C)C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000357534382 166704894 /nfs/dbraw/zinc/70/48/94/166704894.db2.gz MPIWPHOPZBYNNM-NSHDSACASA-N 0 0 334.401 3.350 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000358909342 167002646 /nfs/dbraw/zinc/00/26/46/167002646.db2.gz WWLCZDZKQFDMMP-SJORKVTESA-N 0 0 340.379 3.066 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000358912633 167003470 /nfs/dbraw/zinc/00/34/70/167003470.db2.gz FDRCXFNHYUOGHD-GFCCVEGCSA-N 0 0 334.401 3.310 10 5 EGBERN COc1cc(C(=O)N[C@H](C)CCc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000358934760 167011237 /nfs/dbraw/zinc/01/12/37/167011237.db2.gz VCOJJHIERSLCAH-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN COc1cc(CSc2nnc(C3CCC3)n2C)ccc1[N+](=O)[O-] ZINC000358938669 167012832 /nfs/dbraw/zinc/01/28/32/167012832.db2.gz XPLVCZVEOYOECW-UHFFFAOYSA-N 0 0 334.401 3.292 10 5 EGBERN CCCN(CC1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358957272 167018991 /nfs/dbraw/zinc/01/89/91/167018991.db2.gz ZNLQJKGHYMKSKV-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359064362 167055517 /nfs/dbraw/zinc/05/55/17/167055517.db2.gz FXDBLFNUNSYFLI-VHSXEESVSA-N 0 0 328.315 3.457 10 5 EGBERN COCCOc1cccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359081208 167061578 /nfs/dbraw/zinc/06/15/78/167061578.db2.gz JENXOWPPDGFMRV-UHFFFAOYSA-N 0 0 331.372 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 ZINC000359092535 167064891 /nfs/dbraw/zinc/06/48/91/167064891.db2.gz FWYRFXMMDMBUEK-UKRRQHHQSA-N 0 0 340.383 3.213 10 5 EGBERN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccncc1 ZINC000359108291 167069431 /nfs/dbraw/zinc/06/94/31/167069431.db2.gz LXTTVKJSHSMTKN-UHFFFAOYSA-N 0 0 337.282 3.258 10 5 EGBERN Cc1cccc(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000359136834 167078066 /nfs/dbraw/zinc/07/80/66/167078066.db2.gz TUAMBGKHZXFYPI-UHFFFAOYSA-N 0 0 338.367 3.142 10 5 EGBERN COc1ccc(NC(=O)CN2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561191 167193962 /nfs/dbraw/zinc/19/39/62/167193962.db2.gz QVANPTBQJIEHDI-ACJLOTCBSA-N 0 0 347.415 3.054 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359566604 167195042 /nfs/dbraw/zinc/19/50/42/167195042.db2.gz SOJSVDMFRUBQAH-VHSXEESVSA-N 0 0 328.315 3.314 10 5 EGBERN CC1CCN(c2ccc(C(=O)NCCCCF)cc2[N+](=O)[O-])CC1 ZINC000360503905 167343733 /nfs/dbraw/zinc/34/37/33/167343733.db2.gz NFPSIIKGDKKHJH-UHFFFAOYSA-N 0 0 337.395 3.311 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360531575 167351089 /nfs/dbraw/zinc/35/10/89/167351089.db2.gz YAYYMDCPJGPXMU-UHFFFAOYSA-N 0 0 331.372 3.328 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000360683085 167386795 /nfs/dbraw/zinc/38/67/95/167386795.db2.gz XMNAXQOFLWJNBS-GTNSWQLSSA-N 0 0 347.371 3.464 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000366122210 168085539 /nfs/dbraw/zinc/08/55/39/168085539.db2.gz CZYRYFXJIBPQNM-BDJLRTHQSA-N 0 0 329.331 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000367495524 168233850 /nfs/dbraw/zinc/23/38/50/168233850.db2.gz OMSIEZSRTNICHZ-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000367782270 168269732 /nfs/dbraw/zinc/26/97/32/168269732.db2.gz JLVGOSPMGNESJA-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124037289 222367523 /nfs/dbraw/zinc/36/75/23/222367523.db2.gz WDINOYMDFFCWJW-NWDGAFQWSA-N 0 0 326.418 3.237 10 5 EGBERN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(C)o1 ZINC000124227614 222394388 /nfs/dbraw/zinc/39/43/88/222394388.db2.gz IZSNFAQUMKTFCD-SNVBAGLBSA-N 0 0 338.385 3.381 10 5 EGBERN NC(=O)[C@@H]1CCC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000125185285 222530992 /nfs/dbraw/zinc/53/09/92/222530992.db2.gz XMHDJKDJDKSCOM-SFYZADRCSA-N 0 0 332.187 3.358 10 5 EGBERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000087157229 264681636 /nfs/dbraw/zinc/68/16/36/264681636.db2.gz BYVHGUUQNYEKDA-UHFFFAOYSA-N 0 0 348.305 3.152 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2CCCC[C@@H]2C1 ZINC000154608877 264808152 /nfs/dbraw/zinc/80/81/52/264808152.db2.gz WUWLHSWVYMDMLX-CHWSQXEVSA-N 0 0 325.368 3.405 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1Cl ZINC000176786387 265205617 /nfs/dbraw/zinc/20/56/17/265205617.db2.gz NJJHZSIXQAYHTI-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000176884093 265212361 /nfs/dbraw/zinc/21/23/61/265212361.db2.gz STNVCYWCBQFWBB-ZDUSSCGKSA-N 0 0 330.388 3.021 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000177793562 265278292 /nfs/dbraw/zinc/27/82/92/265278292.db2.gz CJZLYJUEWCQSPK-CQSZACIVSA-N 0 0 328.324 3.205 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2cccs2)c1C ZINC000178279442 265304840 /nfs/dbraw/zinc/30/48/40/265304840.db2.gz QXGOPUXSKJLQLX-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(Cc3cccc(F)c3)CC2)cs1 ZINC000178773076 265340761 /nfs/dbraw/zinc/34/07/61/265340761.db2.gz NTPJSAZLTZORBK-UHFFFAOYSA-N 0 0 335.404 3.113 10 5 EGBERN Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000193521325 266040084 /nfs/dbraw/zinc/04/00/84/266040084.db2.gz LADJXTAOMINESC-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000193637135 266049352 /nfs/dbraw/zinc/04/93/52/266049352.db2.gz KLTVYVYFAVHASU-JTQLQIEISA-N 0 0 337.763 3.439 10 5 EGBERN COc1cccc(C(=O)Nc2ncnc3oc(C)c(C)c32)c1[N+](=O)[O-] ZINC000193929396 266076640 /nfs/dbraw/zinc/07/66/40/266076640.db2.gz ATUITQXEYUNIEQ-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000194147979 266093639 /nfs/dbraw/zinc/09/36/39/266093639.db2.gz ADEYQQFCQMTGHP-UKRRQHHQSA-N 0 0 346.431 3.219 10 5 EGBERN CC(C)(O)C(C)(C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273224675 267000766 /nfs/dbraw/zinc/00/07/66/267000766.db2.gz LQPJUQBILMHFSB-UHFFFAOYSA-N 0 0 346.836 3.006 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC000273440663 267039706 /nfs/dbraw/zinc/03/97/06/267039706.db2.gz HETVJHQLILZSEB-WCQYABFASA-N 0 0 340.807 3.117 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC000273440665 267040097 /nfs/dbraw/zinc/04/00/97/267040097.db2.gz HETVJHQLILZSEB-YPMHNXCESA-N 0 0 340.807 3.117 10 5 EGBERN Cc1noc(C)c1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275912945 267449720 /nfs/dbraw/zinc/44/97/20/267449720.db2.gz WQEPUZQTJBYCHL-UHFFFAOYSA-N 0 0 337.763 3.134 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1c1cc[nH]n1 ZINC000278465309 268018364 /nfs/dbraw/zinc/01/83/64/268018364.db2.gz BRXXSVJOGKTHJG-NSHDSACASA-N 0 0 337.177 3.422 10 5 EGBERN O=[N+]([O-])c1cnccc1Oc1ccc(I)cc1 ZINC000042418265 275126483 /nfs/dbraw/zinc/12/64/83/275126483.db2.gz PMDHYGOOCGENGV-UHFFFAOYSA-N 0 0 342.092 3.387 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000355636652 274878041 /nfs/dbraw/zinc/87/80/41/274878041.db2.gz LEUCWWJUZVRFAD-GFCCVEGCSA-N 0 0 332.381 3.007 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1COc2ccccc2C1 ZINC000191670740 274997604 /nfs/dbraw/zinc/99/76/04/274997604.db2.gz ADJBULGMVUJAQW-ZDUSSCGKSA-N 0 0 349.346 3.333 10 5 EGBERN O=C(NCCC1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179377254 275202800 /nfs/dbraw/zinc/20/28/00/275202800.db2.gz IFLMBGYVSVSBCU-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN COC(=O)c1oc(COc2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000184984091 275214371 /nfs/dbraw/zinc/21/43/71/275214371.db2.gz UMMDASKTJWOPFV-UHFFFAOYSA-N 0 0 342.307 3.410 10 5 EGBERN O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194855530 275228294 /nfs/dbraw/zinc/22/82/94/275228294.db2.gz LBCHULWFBIPVPN-UHFFFAOYSA-N 0 0 348.318 3.170 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000194878804 275228948 /nfs/dbraw/zinc/22/89/48/275228948.db2.gz YWSCGKOQUCJFIC-CQSZACIVSA-N 0 0 329.381 3.265 10 5 EGBERN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000278974028 275292643 /nfs/dbraw/zinc/29/26/43/275292643.db2.gz HRRGEAXHJPWZAV-UHFFFAOYSA-N 0 0 331.294 3.308 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000279320359 275322319 /nfs/dbraw/zinc/32/23/19/275322319.db2.gz DFISSCNTVRFBHX-OAHLLOKOSA-N 0 0 326.780 3.198 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000280185917 275417971 /nfs/dbraw/zinc/41/79/71/275417971.db2.gz HMAKXOZRKCZYTF-UHFFFAOYSA-N 0 0 327.344 3.185 10 5 EGBERN CCC(=O)c1ccc(NC[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280807493 275497450 /nfs/dbraw/zinc/49/74/50/275497450.db2.gz WNTSKVAMYPPKAS-OAHLLOKOSA-N 0 0 328.368 3.376 10 5 EGBERN CC[C@@H](NC(=O)NCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000282348081 275624705 /nfs/dbraw/zinc/62/47/05/275624705.db2.gz ACUKQNIOFJHSMJ-OAHLLOKOSA-N 0 0 335.404 3.162 10 5 EGBERN CCOC1CC2(C1)CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000286523267 276011451 /nfs/dbraw/zinc/01/14/51/276011451.db2.gz BUVMTDDBPMDPMT-UHFFFAOYSA-N 0 0 343.383 3.107 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)nc1 ZINC000288135347 276185602 /nfs/dbraw/zinc/18/56/02/276185602.db2.gz ACSOYIVBNJLSAP-ZDUSSCGKSA-N 0 0 329.360 3.372 10 5 EGBERN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000288228497 276192784 /nfs/dbraw/zinc/19/27/84/276192784.db2.gz FBTFKDNEWQJUDH-WMLDXEAASA-N 0 0 342.399 3.181 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000288290610 276197909 /nfs/dbraw/zinc/19/79/09/276197909.db2.gz HFWFSYDNUPICIE-BLLLJJGKSA-N 0 0 343.387 3.316 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000289545820 276356087 /nfs/dbraw/zinc/35/60/87/276356087.db2.gz CSOJPQRDOHLLFL-NSHDSACASA-N 0 0 346.343 3.206 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289667771 276374838 /nfs/dbraw/zinc/37/48/38/276374838.db2.gz FEVZWROEQLQLHQ-NSHDSACASA-N 0 0 337.376 3.011 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC(F)F ZINC000289778206 276392682 /nfs/dbraw/zinc/39/26/82/276392682.db2.gz LUBPMMVDQPFIFQ-GFCCVEGCSA-N 0 0 343.330 3.045 10 5 EGBERN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000289996170 276432052 /nfs/dbraw/zinc/43/20/52/276432052.db2.gz DPMMIROSOMWCTH-SUMWQHHRSA-N 0 0 342.395 3.111 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000341955098 278250772 /nfs/dbraw/zinc/25/07/72/278250772.db2.gz VFLSJPOCVDXZBQ-PSVSLLHZSA-N 0 0 344.342 3.417 10 5 EGBERN Cn1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(C)(C)C)cn1 ZINC000351611147 279346435 /nfs/dbraw/zinc/34/64/35/279346435.db2.gz QBCAAIISPYPZPS-CQSZACIVSA-N 0 0 349.366 3.376 10 5 EGBERN C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1[N+](=O)[O-] ZINC000341328303 279447397 /nfs/dbraw/zinc/44/73/97/279447397.db2.gz KUALOFPKOZLOOQ-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN O=C(N[C@H]1CCOc2ccccc21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065668920 279978838 /nfs/dbraw/zinc/97/88/38/279978838.db2.gz ZPBNXBLEEUBYTJ-ZDUSSCGKSA-N 0 0 334.278 3.127 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000355291069 280023502 /nfs/dbraw/zinc/02/35/02/280023502.db2.gz MGPLCFIPAQUQSP-ZBEGNZNMSA-N 0 0 336.347 3.243 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCCCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000165801814 280198914 /nfs/dbraw/zinc/19/89/14/280198914.db2.gz BERWVVONSUWTKI-MWLCHTKSSA-N 0 0 344.209 3.166 10 5 EGBERN CC(C)c1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000012986824 280657293 /nfs/dbraw/zinc/65/72/93/280657293.db2.gz POELKYGXZMYGFN-UHFFFAOYSA-N 0 0 335.341 3.156 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000068167883 294072736 /nfs/dbraw/zinc/07/27/36/294072736.db2.gz ISLHKTYNNHVKQT-NSHDSACASA-N 0 0 336.344 3.357 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000173381141 295254634 /nfs/dbraw/zinc/25/46/34/295254634.db2.gz GMCQFFFGWDZMHR-ZDUSSCGKSA-N 0 0 347.396 3.427 10 5 EGBERN CC[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(F)(F)F ZINC000413517849 309035405 /nfs/dbraw/zinc/03/54/05/309035405.db2.gz IBSIKEXMPOIAGT-QMMMGPOBSA-N 0 0 344.293 3.056 10 5 EGBERN C[C@H]1CC(C)(C)CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000413555197 309037321 /nfs/dbraw/zinc/03/73/21/309037321.db2.gz CTORPXOTMFHWTJ-AWEZNQCLSA-N 0 0 333.432 3.052 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000064995813 307357921 /nfs/dbraw/zinc/35/79/21/307357921.db2.gz LMXQOIYZABJVNA-UHFFFAOYSA-N 0 0 334.397 3.383 10 5 EGBERN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327748 307361835 /nfs/dbraw/zinc/36/18/35/307361835.db2.gz FUEQOIAXSHOTJY-UHFFFAOYSA-N 0 0 348.352 3.150 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000413876737 309051096 /nfs/dbraw/zinc/05/10/96/309051096.db2.gz KSRQRQJLEIEFIN-WCQYABFASA-N 0 0 338.354 3.358 10 5 EGBERN Cc1ncc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000121078031 307514974 /nfs/dbraw/zinc/51/49/74/307514974.db2.gz QEVJJIPGMFGWCU-UHFFFAOYSA-N 0 0 346.412 3.234 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000122875269 307533672 /nfs/dbraw/zinc/53/36/72/307533672.db2.gz CNKINISWFPUAKV-HNNXBMFYSA-N 0 0 345.355 3.113 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC/C=C/c1ccccc1 ZINC000123015433 307535227 /nfs/dbraw/zinc/53/52/27/307535227.db2.gz TUAANEFUHZEXTO-VMPITWQZSA-N 0 0 327.340 3.438 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134408770 307686778 /nfs/dbraw/zinc/68/67/78/307686778.db2.gz OHZAVOGHXOKKHJ-GOEBONIOSA-N 0 0 348.362 3.066 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000153414220 307772411 /nfs/dbraw/zinc/77/24/11/307772411.db2.gz LTBANNPQYKOKJI-SFHVURJKSA-N 0 0 346.427 3.478 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nc4cc(F)ccc4o3)n2)c1 ZINC000155566604 307816547 /nfs/dbraw/zinc/81/65/47/307816547.db2.gz JFCVWXLIJSNXTJ-UHFFFAOYSA-N 0 0 339.286 3.182 10 5 EGBERN COc1cc(C)cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000162253965 307911229 /nfs/dbraw/zinc/91/12/29/307911229.db2.gz FBZIOQLNOFGPNU-UHFFFAOYSA-N 0 0 343.383 3.030 10 5 EGBERN CC(C)Oc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000165537785 307929809 /nfs/dbraw/zinc/92/98/09/307929809.db2.gz GZODCZZRLQTJME-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252652221 308032439 /nfs/dbraw/zinc/03/24/39/308032439.db2.gz IVXWYCCSKVMXIU-FOLVSLTJSA-N 0 0 326.356 3.155 10 5 EGBERN O=C(NC/C=C\c1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000255229355 308044225 /nfs/dbraw/zinc/04/42/25/308044225.db2.gz CKVGIBNABRJTDG-DAXSKMNVSA-N 0 0 325.368 3.150 10 5 EGBERN CCc1noc(C)c1CNc1ncc([N+](=O)[O-])cc1Br ZINC000292875624 308075344 /nfs/dbraw/zinc/07/53/44/308075344.db2.gz UHJUVADZPDGALS-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCCC1(C)C ZINC000294500351 308226625 /nfs/dbraw/zinc/22/66/25/308226625.db2.gz SMLKZRFOBPQEOI-INIZCTEOSA-N 0 0 340.807 3.228 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000295054165 308285810 /nfs/dbraw/zinc/28/58/10/308285810.db2.gz OXCSYUYENKFDMY-SMDDNHRTSA-N 0 0 340.807 3.117 10 5 EGBERN C[C@]1(F)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295549906 308337769 /nfs/dbraw/zinc/33/77/69/308337769.db2.gz WYVYHHHAKZTMOV-AWEZNQCLSA-N 0 0 329.759 3.011 10 5 EGBERN Cc1cccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c1[N+](=O)[O-] ZINC000295767367 308357764 /nfs/dbraw/zinc/35/77/64/308357764.db2.gz JHKLIITUQNJWOA-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCO[C@@H](c3cccnc3)C1)CCN2 ZINC000295795073 308360570 /nfs/dbraw/zinc/36/05/70/308360570.db2.gz RWWVQIFCKIQAGE-CXAGYDPISA-N 0 0 340.383 3.290 10 5 EGBERN Cc1c(C(=O)N2CCC3(CCC(O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000295879920 308370246 /nfs/dbraw/zinc/37/02/46/308370246.db2.gz VQNHLZZCFBGLHD-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000295893510 308371939 /nfs/dbraw/zinc/37/19/39/308371939.db2.gz HGQQRUOSIVDCNW-QWRGUYRKSA-N 0 0 346.305 3.163 10 5 EGBERN Cn1cc(CN2CCC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976188 308380644 /nfs/dbraw/zinc/38/06/44/308380644.db2.gz JBMWZJMPJHPBCV-QGZVFWFLSA-N 0 0 332.379 3.319 10 5 EGBERN C[C@@H](c1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1)C(F)(F)F ZINC000296107414 308394151 /nfs/dbraw/zinc/39/41/51/308394151.db2.gz UZOPSLZKCQCLKO-JTQLQIEISA-N 0 0 326.274 3.471 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000296986742 308487041 /nfs/dbraw/zinc/48/70/41/308487041.db2.gz QWJSSHZNYCPIJC-JGVFFNPUSA-N 0 0 349.284 3.119 10 5 EGBERN COCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298416204 308612274 /nfs/dbraw/zinc/61/22/74/308612274.db2.gz YAGRGNLWTLKZLX-UHFFFAOYSA-N 0 0 334.397 3.254 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000299133328 308663472 /nfs/dbraw/zinc/66/34/72/308663472.db2.gz NSPKSKWQYBNPTI-UHFFFAOYSA-N 0 0 332.381 3.172 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000299684959 308684305 /nfs/dbraw/zinc/68/43/05/308684305.db2.gz XKWFEAJCWDYTGB-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN Cc1cc(N[C@H]2CCCC[C@@H]2O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301274309 308694441 /nfs/dbraw/zinc/69/44/41/308694441.db2.gz YITIVDFRXDAPBH-GJZGRUSLSA-N 0 0 328.372 3.076 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccccc2-n2cccn2)c(Cl)c1 ZINC000301274951 308694450 /nfs/dbraw/zinc/69/44/50/308694450.db2.gz LOOMALVGBMJYPL-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN CNC(=O)c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301273035 308694476 /nfs/dbraw/zinc/69/44/76/308694476.db2.gz RFWGLPFUGDAYES-HUUCEWRRSA-N 0 0 325.368 3.170 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(O)CCCc3ccccc32)c1 ZINC000301437562 308700244 /nfs/dbraw/zinc/70/02/44/308700244.db2.gz KPJAKURYTABSNZ-SFHVURJKSA-N 0 0 346.358 3.379 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301754453 308713877 /nfs/dbraw/zinc/71/38/77/308713877.db2.gz WVAVDHBKNLXYOV-BMIGLBTASA-N 0 0 333.775 3.472 10 5 EGBERN COc1cc(NC2CCN(c3ccccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301871767 308719309 /nfs/dbraw/zinc/71/93/09/308719309.db2.gz IZKGIBHAEFQYBH-UHFFFAOYSA-N 0 0 346.362 3.218 10 5 EGBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302471346 308737650 /nfs/dbraw/zinc/73/76/50/308737650.db2.gz UIRADSXYOQQCJG-WCQYABFASA-N 0 0 336.392 3.047 10 5 EGBERN Cc1ccnc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000302556876 308739530 /nfs/dbraw/zinc/73/95/30/308739530.db2.gz LPHAINXQWGZXNH-NSHDSACASA-N 0 0 346.353 3.373 10 5 EGBERN O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302766422 308744654 /nfs/dbraw/zinc/74/46/54/308744654.db2.gz ZQILXOQQNWEYEF-OAHLLOKOSA-N 0 0 347.321 3.086 10 5 EGBERN CCNc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000330394677 308794876 /nfs/dbraw/zinc/79/48/76/308794876.db2.gz DCYIINCKYQYTKJ-GFCCVEGCSA-N 0 0 327.331 3.286 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccccc2OC)c1 ZINC000392207835 308902042 /nfs/dbraw/zinc/90/20/42/308902042.db2.gz WCQNCRZTHLCDFQ-UHFFFAOYSA-N 0 0 330.340 3.026 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1ncc(C)o1 ZINC000410815063 308921759 /nfs/dbraw/zinc/92/17/59/308921759.db2.gz BZTPHZROXNSSNE-UHFFFAOYSA-N 0 0 333.344 3.251 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)c3cccc(C)c32)n1 ZINC000410987390 308923488 /nfs/dbraw/zinc/92/34/88/308923488.db2.gz XRCWZGZATAITNW-LLVKDONJSA-N 0 0 328.372 3.274 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000412291832 308979331 /nfs/dbraw/zinc/97/93/31/308979331.db2.gz OQFKMVJEADMSDT-YJBOKZPZSA-N 0 0 328.343 3.404 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413222152 309022226 /nfs/dbraw/zinc/02/22/26/309022226.db2.gz KCXZCUPUPQWCPX-HOTGVXAUSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc(Br)cn2)cn1 ZINC000413382443 309029764 /nfs/dbraw/zinc/02/97/64/309029764.db2.gz WALYNMWRHVXPLW-ZDUSSCGKSA-N 0 0 349.188 3.489 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416625749 309175417 /nfs/dbraw/zinc/17/54/17/309175417.db2.gz QWJLAFFLDVEGIK-UHFFFAOYSA-N 0 0 346.836 3.447 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000417465036 309206949 /nfs/dbraw/zinc/20/69/49/309206949.db2.gz HHJPBRGGRCXKHU-AVGNSLFASA-N 0 0 329.404 3.354 10 5 EGBERN C[C@@]1(O)C[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000418994258 309259361 /nfs/dbraw/zinc/25/93/61/309259361.db2.gz HVDKBJOLTLKOMR-UJKQEGAGSA-N 0 0 326.352 3.151 10 5 EGBERN C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000421114806 309313919 /nfs/dbraw/zinc/31/39/19/309313919.db2.gz UPSRIVYRNHRJMZ-CHWSQXEVSA-N 0 0 349.431 3.375 10 5 EGBERN C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000421114809 309313998 /nfs/dbraw/zinc/31/39/98/309313998.db2.gz UPSRIVYRNHRJMZ-QWHCGFSZSA-N 0 0 349.431 3.375 10 5 EGBERN CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000421487558 309326787 /nfs/dbraw/zinc/32/67/87/309326787.db2.gz RKFXZMWFXYQGNH-GFCCVEGCSA-N 0 0 336.779 3.171 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000421901908 309345805 /nfs/dbraw/zinc/34/58/05/309345805.db2.gz BKAVVTOMNMLKIP-AWEZNQCLSA-N 0 0 344.342 3.084 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000424999692 309461511 /nfs/dbraw/zinc/46/15/11/309461511.db2.gz LGAUJWVZMLCMPM-AEFFLSMTSA-N 0 0 328.343 3.199 10 5 EGBERN COc1ccc(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752602 309515051 /nfs/dbraw/zinc/51/50/51/309515051.db2.gz DJHUNYXLWJQBHE-UONOGXRCSA-N 0 0 336.388 3.117 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)n1 ZINC000427114654 309522624 /nfs/dbraw/zinc/52/26/24/309522624.db2.gz QLEXDSXEDKHIHV-HNNXBMFYSA-N 0 0 328.372 3.001 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCC(F)(F)C1 ZINC000427351404 309527359 /nfs/dbraw/zinc/52/73/59/309527359.db2.gz DFRJFSCVMUXMHR-SNVBAGLBSA-N 0 0 332.734 3.485 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3coc(-c4cccs4)n3)nc2c1 ZINC000427997467 309540235 /nfs/dbraw/zinc/54/02/35/309540235.db2.gz SJCWJRMYMZICTC-UHFFFAOYSA-N 0 0 341.352 3.222 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2ccc(Br)s2)cc1CO ZINC000428080252 309541737 /nfs/dbraw/zinc/54/17/37/309541737.db2.gz OFYNSDGLVPBURE-UHFFFAOYSA-N 0 0 344.186 3.490 10 5 EGBERN CC(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(CO)c2)cc1 ZINC000428097218 309542297 /nfs/dbraw/zinc/54/22/97/309542297.db2.gz ZOLNAUVYTZRZGK-UHFFFAOYSA-N 0 0 344.367 3.228 10 5 EGBERN CC(C)(NCc1nc(-c2ccoc2)no1)c1ccccc1[N+](=O)[O-] ZINC000429233385 309574480 /nfs/dbraw/zinc/57/44/80/309574480.db2.gz DYRURPWUIRPTJS-UHFFFAOYSA-N 0 0 328.328 3.263 10 5 EGBERN C[C@@H]1[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000430117401 309598183 /nfs/dbraw/zinc/59/81/83/309598183.db2.gz AOODVPOSUIFCLS-VHSSKADRSA-N 0 0 339.395 3.173 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC1 ZINC000431149066 309626786 /nfs/dbraw/zinc/62/67/86/309626786.db2.gz ACDJJGHHHSCZAR-WDEREUQCSA-N 0 0 326.805 3.255 10 5 EGBERN C/C=C\C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000432903843 309672573 /nfs/dbraw/zinc/67/25/73/309672573.db2.gz WMADBYHTENUUMO-MFBWXBCUSA-N 0 0 326.780 3.236 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000433990438 309702010 /nfs/dbraw/zinc/70/20/10/309702010.db2.gz OJCQLIGAIHRVSC-JTQLQIEISA-N 0 0 345.321 3.441 10 5 EGBERN CCOc1ccc(C(=O)N(CC)c2cccnc2C)cc1[N+](=O)[O-] ZINC000439239832 309828995 /nfs/dbraw/zinc/82/89/95/309828995.db2.gz SBNSNLYMGOHQKA-UHFFFAOYSA-N 0 0 329.356 3.364 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@H](C)OC)C(C)C ZINC000439867024 309841292 /nfs/dbraw/zinc/84/12/92/309841292.db2.gz PMBABMPDZQVLJN-LBPRGKRZSA-N 0 0 339.392 3.271 10 5 EGBERN CC(C)C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443764258 309907795 /nfs/dbraw/zinc/90/77/95/309907795.db2.gz MBUJLHAIVIYCBQ-CQSZACIVSA-N 0 0 340.445 3.183 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000443890234 309909095 /nfs/dbraw/zinc/90/90/95/309909095.db2.gz VDYANKFWTWYGOS-SNVBAGLBSA-N 0 0 348.321 3.499 10 5 EGBERN Cc1nn(C)c(-c2nc(Cc3ccc(Cl)cc3C)no2)c1[N+](=O)[O-] ZINC000445595280 309944045 /nfs/dbraw/zinc/94/40/45/309944045.db2.gz BFASFBKUJRJHPX-UHFFFAOYSA-N 0 0 347.762 3.239 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000446348038 309960755 /nfs/dbraw/zinc/96/07/55/309960755.db2.gz HGPIFQUFNOXGSQ-UHFFFAOYSA-N 0 0 348.721 3.246 10 5 EGBERN COc1ccc(F)c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000447134702 309974571 /nfs/dbraw/zinc/97/45/71/309974571.db2.gz WAMDPBUXHMWVJQ-UHFFFAOYSA-N 0 0 349.318 3.073 10 5 EGBERN CCOC(=O)c1nnc(SCc2c(F)cccc2[N+](=O)[O-])s1 ZINC000447187594 309975347 /nfs/dbraw/zinc/97/53/47/309975347.db2.gz UJZOEXAWSJWCDV-UHFFFAOYSA-N 0 0 343.361 3.054 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](c4ccc(F)cc4)C3)nc2c1 ZINC000447670879 309985443 /nfs/dbraw/zinc/98/54/43/309985443.db2.gz OFSQYAQONKGXPP-INIZCTEOSA-N 0 0 342.330 3.188 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000449370876 310057164 /nfs/dbraw/zinc/05/71/64/310057164.db2.gz NZHDDEHNWGBCHT-DLBZAZTESA-N 0 0 338.363 3.296 10 5 EGBERN CC(C)(C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)C(C)(F)F ZINC000449834315 310089741 /nfs/dbraw/zinc/08/97/41/310089741.db2.gz KUWXOQXRQSGWKG-UHFFFAOYSA-N 0 0 338.314 3.027 10 5 EGBERN Cc1nc(N2CCn3c(cc4cc(Cl)ccc43)C2)ncc1[N+](=O)[O-] ZINC000450485170 310125575 /nfs/dbraw/zinc/12/55/75/310125575.db2.gz IOZCXXZPXZASGJ-UHFFFAOYSA-N 0 0 343.774 3.322 10 5 EGBERN C[C@@]12CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000450688053 310137440 /nfs/dbraw/zinc/13/74/40/310137440.db2.gz FHRHXYBSFDOTJC-IZXSPOQTSA-N 0 0 328.397 3.248 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000450789423 310142699 /nfs/dbraw/zinc/14/26/99/310142699.db2.gz GKTHGXUHXFLMOP-MLGOLLRUSA-N 0 0 347.346 3.470 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450817243 310144016 /nfs/dbraw/zinc/14/40/16/310144016.db2.gz XMJMLGLHXBRIBE-CYBMUJFWSA-N 0 0 340.383 3.413 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451120529 310161592 /nfs/dbraw/zinc/16/15/92/310161592.db2.gz KLMUSFDVHCPXBF-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN O=C(NCCCC1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000452207914 310218545 /nfs/dbraw/zinc/21/85/45/310218545.db2.gz OKKCOKOFYWLHMB-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452577687 310233008 /nfs/dbraw/zinc/23/30/08/310233008.db2.gz XZKOMLAWDPATES-UXLLHSPISA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000452600997 310234218 /nfs/dbraw/zinc/23/42/18/310234218.db2.gz WAQLCHMWWSMIIM-USXIJHARSA-N 0 0 332.400 3.059 10 5 EGBERN CCCn1ncc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C1CC1 ZINC000452953869 310250623 /nfs/dbraw/zinc/25/06/23/310250623.db2.gz XZDOREUWDNPGRB-UHFFFAOYSA-N 0 0 329.360 3.034 10 5 EGBERN CCc1ocnc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453226657 310265376 /nfs/dbraw/zinc/26/53/76/310265376.db2.gz AAPZNDSRYKPGFF-UHFFFAOYSA-N 0 0 341.327 3.220 10 5 EGBERN Cc1cc(C)n([C@@H](C)c2nc(-c3cccc([N+](=O)[O-])c3C)no2)n1 ZINC000453263406 310267740 /nfs/dbraw/zinc/26/77/40/310267740.db2.gz TZNNLVIYMIXFAH-LBPRGKRZSA-N 0 0 327.344 3.376 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000454146715 310294505 /nfs/dbraw/zinc/29/45/05/310294505.db2.gz MFKLXUGTTJIWCH-BFYDXBDKSA-N 0 0 347.415 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000454297238 310302147 /nfs/dbraw/zinc/30/21/47/310302147.db2.gz GTEMSVUJDVMYMY-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000454423198 310309056 /nfs/dbraw/zinc/30/90/56/310309056.db2.gz DJRDNPUAAGYBIM-WDEREUQCSA-N 0 0 334.401 3.481 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456097220 310388384 /nfs/dbraw/zinc/38/83/84/310388384.db2.gz IUAZDWKJRBEPPH-ZACQAIPSSA-N 0 0 332.400 3.059 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC12CCC(CC1)CC2 ZINC000456269714 310395913 /nfs/dbraw/zinc/39/59/13/310395913.db2.gz FMUBCERJEXZLPZ-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456307925 310397651 /nfs/dbraw/zinc/39/76/51/310397651.db2.gz ULSXKVNXBHJNCP-NVXWUHKLSA-N 0 0 325.368 3.337 10 5 EGBERN CCCc1ncc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000456536000 310410981 /nfs/dbraw/zinc/41/09/81/310410981.db2.gz QGAQHZVRBHDNFI-UHFFFAOYSA-N 0 0 346.387 3.044 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000456807437 310423383 /nfs/dbraw/zinc/42/33/83/310423383.db2.gz CRIJITLJDZLHNH-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000457081384 310436331 /nfs/dbraw/zinc/43/63/31/310436331.db2.gz MVROZQUTBSCNPU-AAEUAGOBSA-N 0 0 348.790 3.048 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000457083808 310436528 /nfs/dbraw/zinc/43/65/28/310436528.db2.gz MKRCTBUHLIGJEH-GFCCVEGCSA-N 0 0 340.807 3.445 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000457194945 310442527 /nfs/dbraw/zinc/44/25/27/310442527.db2.gz YHADOCCWBHLNAF-NSHDSACASA-N 0 0 340.807 3.492 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000459677850 310568358 /nfs/dbraw/zinc/56/83/58/310568358.db2.gz BAIFSXNEMLCJCA-HIFRSBDPSA-N 0 0 334.397 3.019 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)N1c3ccc([N+](=O)[O-])cc3C[C@H]1C)C2 ZINC000459993968 310578725 /nfs/dbraw/zinc/57/87/25/310578725.db2.gz YTHUGXMCVZMBTO-PXAZEXFGSA-N 0 0 338.363 3.185 10 5 EGBERN CCC[C@H](CCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000462880298 310607180 /nfs/dbraw/zinc/60/71/80/310607180.db2.gz BKLPWFCJWXRCAF-CQSZACIVSA-N 0 0 342.399 3.302 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCn2c(cc3ccccc32)C1 ZINC000463357756 310611557 /nfs/dbraw/zinc/61/15/57/310611557.db2.gz NDDLQBSQDPFPDN-UHFFFAOYSA-N 0 0 337.379 3.444 10 5 EGBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCO2)cc1 ZINC000474226557 310788372 /nfs/dbraw/zinc/78/83/72/310788372.db2.gz BRNSELJWVUZNNK-UHFFFAOYSA-N 0 0 344.323 3.173 10 5 EGBERN COC(=O)c1cc(N(C)Cc2ccccc2OC)cc(C)c1[N+](=O)[O-] ZINC000474778014 310799211 /nfs/dbraw/zinc/79/92/11/310799211.db2.gz YUDQISXDPKAFJF-UHFFFAOYSA-N 0 0 344.367 3.335 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000480073287 310888957 /nfs/dbraw/zinc/88/89/57/310888957.db2.gz WFWCXPWGILAJJU-SJKOYZFVSA-N 0 0 338.367 3.438 10 5 EGBERN Cc1c(Br)c(N2CC(C)=C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000485434645 310977639 /nfs/dbraw/zinc/97/76/39/310977639.db2.gz HTABJOUCHBFZTI-QMMMGPOBSA-N 0 0 326.194 3.463 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000488068670 311050040 /nfs/dbraw/zinc/05/00/40/311050040.db2.gz BGDYWHMEKIASHA-OXQOHEQNSA-N 0 0 349.390 3.143 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@@H]1CCCC[C@@H]1O ZINC000488092848 311051179 /nfs/dbraw/zinc/05/11/79/311051179.db2.gz SCQYTXMTJAJDHK-GUYCJALGSA-N 0 0 329.400 3.308 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1O ZINC000488119117 311052081 /nfs/dbraw/zinc/05/20/81/311052081.db2.gz BZCSCEAOMSGORR-CJNGLKHVSA-N 0 0 329.400 3.376 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(OC(C)C)c2)n1 ZINC000488422291 311064890 /nfs/dbraw/zinc/06/48/90/311064890.db2.gz LSADCPPLAIMCAU-UHFFFAOYSA-N 0 0 332.360 3.159 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccccc3O[C@H](C)C2)c1 ZINC000488735011 311077288 /nfs/dbraw/zinc/07/72/88/311077288.db2.gz MXZOJNIGJHTJOE-GFCCVEGCSA-N 0 0 342.351 3.169 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(c3ccccc3F)C2)n1 ZINC000488756517 311078630 /nfs/dbraw/zinc/07/86/30/311078630.db2.gz WCQWRTPGAPCJSR-ZDUSSCGKSA-N 0 0 330.363 3.437 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCC(F)(F)C1 ZINC000488992324 311088495 /nfs/dbraw/zinc/08/84/95/311088495.db2.gz JTKLSBDJKCGZJP-GFCCVEGCSA-N 0 0 337.326 3.244 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000489613633 311114735 /nfs/dbraw/zinc/11/47/35/311114735.db2.gz SWGVMXLDUTWKEP-MRXNPFEDSA-N 0 0 348.786 3.410 10 5 EGBERN CC(C)(C)Oc1cc(NCc2cc(C(N)=O)co2)ccc1[N+](=O)[O-] ZINC000489945283 311126727 /nfs/dbraw/zinc/12/67/27/311126727.db2.gz NJRRZUCEWLPJRD-UHFFFAOYSA-N 0 0 333.344 3.076 10 5 EGBERN O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505128285 312015959 /nfs/dbraw/zinc/01/59/59/312015959.db2.gz CGXKAWIEOHSSLZ-MNOVXSKESA-N 0 0 328.290 3.463 10 5 EGBERN COc1cc(CN(C)Cc2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000505912227 312039171 /nfs/dbraw/zinc/03/91/71/312039171.db2.gz JZHCTEDRZUINDA-UHFFFAOYSA-N 0 0 334.347 3.383 10 5 EGBERN CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000507504231 312075516 /nfs/dbraw/zinc/07/55/16/312075516.db2.gz XLZWLXOOUWBCMM-MNOVXSKESA-N 0 0 332.447 3.149 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000507571337 312077845 /nfs/dbraw/zinc/07/78/45/312077845.db2.gz VPAPSTUVWYORKM-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000509533824 312119959 /nfs/dbraw/zinc/11/99/59/312119959.db2.gz UOCUSJKYUFDHAQ-OAHLLOKOSA-N 0 0 349.431 3.086 10 5 EGBERN C[C@@H]1CCCC[C@H]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512185715 312178128 /nfs/dbraw/zinc/17/81/28/312178128.db2.gz YXFSWEGMDYELSY-MNOVXSKESA-N 0 0 332.447 3.151 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514867576 312251055 /nfs/dbraw/zinc/25/10/55/312251055.db2.gz KKLGSLFBUFUKQX-JOYOIKCWSA-N 0 0 348.321 3.141 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000514979470 312257627 /nfs/dbraw/zinc/25/76/27/312257627.db2.gz UENGBYQVKYAHFC-ZDUSSCGKSA-N 0 0 349.362 3.443 10 5 EGBERN Cc1cc(C)cc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c1 ZINC000515199846 312270840 /nfs/dbraw/zinc/27/08/40/312270840.db2.gz UQGCXPMBRNDENH-UHFFFAOYSA-N 0 0 338.367 3.497 10 5 EGBERN CNC(=O)c1ccccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000517922996 312398293 /nfs/dbraw/zinc/39/82/93/312398293.db2.gz FEONAWXFVNZPKH-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN C[C@@H](C(=O)Nc1ncn(C2CCCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000519047267 312437626 /nfs/dbraw/zinc/43/76/26/312437626.db2.gz YZTURXXOEFKJIX-GFCCVEGCSA-N 0 0 343.387 3.434 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000524542162 312664461 /nfs/dbraw/zinc/66/44/61/312664461.db2.gz FEROKSVSZZQIEN-NEPJUHHUSA-N 0 0 334.372 3.270 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000525041109 312693672 /nfs/dbraw/zinc/69/36/72/312693672.db2.gz FCOYTYZWPMSNSD-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC(F)F)CC1 ZINC000057856990 454152486 /nfs/dbraw/zinc/15/24/86/454152486.db2.gz YYQUUVLSTBEYDE-UHFFFAOYSA-N 0 0 339.264 3.001 10 5 EGBERN Cc1cccc(C2(NC(=O)c3ccc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000531882437 313725470 /nfs/dbraw/zinc/72/54/70/313725470.db2.gz FPLNMZJXKJCASP-UHFFFAOYSA-N 0 0 325.368 3.498 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000532242710 313773762 /nfs/dbraw/zinc/77/37/62/313773762.db2.gz GRQWTBUDRICDHV-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nccn1Cc1ccccc1)C2 ZINC000533795798 313933376 /nfs/dbraw/zinc/93/33/76/313933376.db2.gz BLRJQJBFPVOQEA-UHFFFAOYSA-N 0 0 348.406 3.398 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000537573672 314189853 /nfs/dbraw/zinc/18/98/53/314189853.db2.gz YIROBSMAVKOONF-UHFFFAOYSA-N 0 0 337.379 3.157 10 5 EGBERN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537590197 314192366 /nfs/dbraw/zinc/19/23/66/314192366.db2.gz ICESPCJNQBHNOP-ZUZCIYMTSA-N 0 0 349.774 3.149 10 5 EGBERN C[C@@H](NCC(=O)NCCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538277560 314236867 /nfs/dbraw/zinc/23/68/67/314236867.db2.gz SKCUBYJUSBMJAS-CQSZACIVSA-N 0 0 333.432 3.332 10 5 EGBERN O=C(c1cc2ccccc2s1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538679475 314263480 /nfs/dbraw/zinc/26/34/80/314263480.db2.gz DGRQVDVNDYMQDD-UHFFFAOYSA-N 0 0 339.376 3.403 10 5 EGBERN COC(=O)c1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000539376816 314309654 /nfs/dbraw/zinc/30/96/54/314309654.db2.gz JXBQGHAFHMTXML-LLVKDONJSA-N 0 0 332.356 3.442 10 5 EGBERN COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000540298735 314373141 /nfs/dbraw/zinc/37/31/41/314373141.db2.gz ZYNMGZMQSNKDRM-ZDUSSCGKSA-N 0 0 332.331 3.178 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC2CCC(OC)CC2)c1 ZINC000541621915 314475356 /nfs/dbraw/zinc/47/53/56/314475356.db2.gz MQPKTRGQNIDANV-UHFFFAOYSA-N 0 0 336.388 3.389 10 5 EGBERN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1C ZINC000542739681 314572705 /nfs/dbraw/zinc/57/27/05/314572705.db2.gz MCPKKTCUYSKENF-INIZCTEOSA-N 0 0 331.416 3.447 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@](C)(c3ccccc3)C2)n1 ZINC000543790548 314656563 /nfs/dbraw/zinc/65/65/63/314656563.db2.gz SCQZVYXBSYICDD-GOSISDBHSA-N 0 0 327.384 3.359 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc(C)n([C@H](C)C3CC3)n2)c1 ZINC000544126109 314675529 /nfs/dbraw/zinc/67/55/29/314675529.db2.gz ZDEHNEBMBLODTH-LLVKDONJSA-N 0 0 344.371 3.023 10 5 EGBERN Cc1cc(NC(=O)C[C@H](C)n2cccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000545905168 314790196 /nfs/dbraw/zinc/79/01/96/314790196.db2.gz ORBRXWSUMXQRCF-ZDUSSCGKSA-N 0 0 338.367 3.265 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000548465240 315013304 /nfs/dbraw/zinc/01/33/04/315013304.db2.gz HLBUYUZBFNDSDC-GWCFXTLKSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000548582916 315023464 /nfs/dbraw/zinc/02/34/64/315023464.db2.gz XBIOFUJIHAVPHD-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551724713 315165603 /nfs/dbraw/zinc/16/56/03/315165603.db2.gz VIZHOYDBSGWPQA-CQSZACIVSA-N 0 0 339.823 3.129 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552170147 315203333 /nfs/dbraw/zinc/20/33/33/315203333.db2.gz JFIROZGCNDCTLU-WDEREUQCSA-N 0 0 346.305 3.068 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000553008313 315241212 /nfs/dbraw/zinc/24/12/12/315241212.db2.gz DDHUSEDEJCMCJB-NSHDSACASA-N 0 0 345.355 3.267 10 5 EGBERN Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000553299309 315256279 /nfs/dbraw/zinc/25/62/79/315256279.db2.gz TWNSNVXLMGUZMC-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000553790361 315282881 /nfs/dbraw/zinc/28/28/81/315282881.db2.gz DOXTYZBISXAILU-DLBZAZTESA-N 0 0 339.395 3.335 10 5 EGBERN CC1(C)CC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000554698445 315343708 /nfs/dbraw/zinc/34/37/08/315343708.db2.gz WQCTZNGMLACHIB-ZDUSSCGKSA-N 0 0 344.415 3.497 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3F)CC2)c1 ZINC000555208148 315372898 /nfs/dbraw/zinc/37/28/98/315372898.db2.gz KQDXJMPIWUXAIP-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000555261827 315375988 /nfs/dbraw/zinc/37/59/88/315375988.db2.gz BUGMPBKXNNKOCD-CFVMTHIKSA-N 0 0 336.779 3.275 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2c1c(F)ccc2F ZINC000559289811 315626079 /nfs/dbraw/zinc/62/60/79/315626079.db2.gz NWECHLLPNSKMMY-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cn1 ZINC000560717981 315719791 /nfs/dbraw/zinc/71/97/91/315719791.db2.gz WIYQRJXIFLUWPM-UHFFFAOYSA-N 0 0 344.758 3.028 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000563175135 315970026 /nfs/dbraw/zinc/97/00/26/315970026.db2.gz JOBLZUNSVIQVCT-MCIGGMRASA-N 0 0 336.363 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1 ZINC000563403973 316015946 /nfs/dbraw/zinc/01/59/46/316015946.db2.gz SFZMUMQLRHEJKE-INIZCTEOSA-N 0 0 334.416 3.210 10 5 EGBERN CC[C@](C)(NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000564127201 316115858 /nfs/dbraw/zinc/11/58/58/316115858.db2.gz OZXZPPGFTOITDW-LBPRGKRZSA-N 0 0 340.248 3.263 10 5 EGBERN Cc1cccc2c1ccnc2N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564893656 316228067 /nfs/dbraw/zinc/22/80/67/316228067.db2.gz VYTDHESXOVZNKH-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CCc1nn(C)c(N2CCc3sc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000564903389 316230069 /nfs/dbraw/zinc/23/00/69/316230069.db2.gz OZDVGPUAFCAJBW-UHFFFAOYSA-N 0 0 326.809 3.168 10 5 EGBERN COc1ccccc1CCCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000564959920 316237121 /nfs/dbraw/zinc/23/71/21/316237121.db2.gz QCZKOIPTQUCRQC-UHFFFAOYSA-N 0 0 342.395 3.277 10 5 EGBERN CN(Cc1nccn1C(F)F)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000565360021 316313997 /nfs/dbraw/zinc/31/39/97/316313997.db2.gz UPLXATPFVIUHFC-UHFFFAOYSA-N 0 0 337.330 3.097 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000566747791 316522340 /nfs/dbraw/zinc/52/23/40/316522340.db2.gz KMPJCDVLASLLKV-SFHVURJKSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1c(-c2noc(-c3cnn4c3C[C@H](C)CC4)n2)cccc1[N+](=O)[O-] ZINC000567048054 316561101 /nfs/dbraw/zinc/56/11/01/316561101.db2.gz JDCPZCUADKZCRZ-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C ZINC000567412466 316614274 /nfs/dbraw/zinc/61/42/74/316614274.db2.gz BVBQLVCWILNZSN-STQMWFEESA-N 0 0 344.415 3.306 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCCCC1CCOCC1)CCCC2 ZINC000567851599 316682924 /nfs/dbraw/zinc/68/29/24/316682924.db2.gz RATVCHPJARQLHM-UHFFFAOYSA-N 0 0 334.416 3.232 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568695059 316808070 /nfs/dbraw/zinc/80/80/70/316808070.db2.gz KRRMNPXOGPNADH-QWHCGFSZSA-N 0 0 344.415 3.449 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573773261 317526179 /nfs/dbraw/zinc/52/61/79/317526179.db2.gz WLGAXDMDQWVLKW-AWEZNQCLSA-N 0 0 334.416 3.362 10 5 EGBERN C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000235513145 456153096 /nfs/dbraw/zinc/15/30/96/456153096.db2.gz AGFJDQFFAPFXRI-JTQLQIEISA-N 0 0 343.221 3.262 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(Cn3ncc4ccccc43)n2)s1 ZINC000350835356 324126250 /nfs/dbraw/zinc/12/62/50/324126250.db2.gz MQAMIJDDMHVSMZ-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN C[C@@H]1C[C@H](c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000351105629 324171459 /nfs/dbraw/zinc/17/14/59/324171459.db2.gz NSHBFHYMUJRSBE-DGCLKSJQSA-N 0 0 345.355 3.076 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000580345845 325238079 /nfs/dbraw/zinc/23/80/79/325238079.db2.gz UWCOJCMGOALRLH-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000582562449 325451460 /nfs/dbraw/zinc/45/14/60/325451460.db2.gz ZJJOFNAZMGRUHV-CYBMUJFWSA-N 0 0 335.404 3.347 10 5 EGBERN Cc1ccc([C@@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000183074136 455223647 /nfs/dbraw/zinc/22/36/47/455223647.db2.gz IDKQHYFXAPPKCQ-LLVKDONJSA-N 0 0 328.328 3.397 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493918122 458601484 /nfs/dbraw/zinc/60/14/84/458601484.db2.gz XMOGCJJKMSWHCW-ZDUSSCGKSA-N 0 0 326.418 3.165 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@@H]2CCC[C@@H]21 ZINC000628823259 460552671 /nfs/dbraw/zinc/55/26/71/460552671.db2.gz HOIVJHYGYGLSRM-ZWKOTPCHSA-N 0 0 348.402 3.075 10 5 EGBERN COc1cc(CSCCOC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000600651822 460560014 /nfs/dbraw/zinc/56/00/14/460560014.db2.gz IICQIVWGCTVZCL-UHFFFAOYSA-N 0 0 345.392 3.171 10 5 EGBERN Cc1c(CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cccc1[N+](=O)[O-] ZINC000600700516 460572967 /nfs/dbraw/zinc/57/29/67/460572967.db2.gz NAGUZFNWXPVYSL-SFHVURJKSA-N 0 0 345.399 3.294 10 5 EGBERN CCOc1ccc(NC(=O)COc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000005446202 452872750 /nfs/dbraw/zinc/87/27/50/452872750.db2.gz DGDTZPCDMQAOTR-UHFFFAOYSA-N 0 0 346.339 3.020 10 5 EGBERN O=C(CCC(=O)c1ccc(F)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005860517 452905101 /nfs/dbraw/zinc/90/51/01/452905101.db2.gz METICZBUIDDHDU-UHFFFAOYSA-N 0 0 331.299 3.440 10 5 EGBERN O=[N+]([O-])c1cnn(C[C@@H](O)CNc2cccc(C3CCCCC3)c2)c1 ZINC000600745448 460587729 /nfs/dbraw/zinc/58/77/29/460587729.db2.gz JMPXVLYKLDMYDR-SFHVURJKSA-N 0 0 344.415 3.312 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccnc1 ZINC000174031229 455353480 /nfs/dbraw/zinc/35/34/80/455353480.db2.gz UZRDLPZXCPZDTE-VIFPVBQESA-N 0 0 337.282 3.333 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600771514 460596899 /nfs/dbraw/zinc/59/68/99/460596899.db2.gz HHIPBYQYGVRTJM-MRXNPFEDSA-N 0 0 340.379 3.493 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000017963253 453639924 /nfs/dbraw/zinc/63/99/24/453639924.db2.gz ZGRTTZJHOJNYQT-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H](c2ccccc2)C2CC2)nc2ccccn21 ZINC000026083138 453792211 /nfs/dbraw/zinc/79/22/11/453792211.db2.gz CIVBSLWQCUUTPC-HNNXBMFYSA-N 0 0 336.351 3.166 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC1CCCC1 ZINC000030427123 453835951 /nfs/dbraw/zinc/83/59/51/453835951.db2.gz YFCCKFACENSQBP-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN Cn1nccc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000030587330 453836944 /nfs/dbraw/zinc/83/69/44/453836944.db2.gz AGVRMJYSHZXFQV-UHFFFAOYSA-N 0 0 336.351 3.171 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000030881700 453840390 /nfs/dbraw/zinc/84/03/90/453840390.db2.gz JGUPWGVBCBYWMX-CYBMUJFWSA-N 0 0 344.367 3.029 10 5 EGBERN CCCn1nccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031770827 453854330 /nfs/dbraw/zinc/85/43/30/453854330.db2.gz AQOIODHUWQMVFJ-UHFFFAOYSA-N 0 0 329.360 3.028 10 5 EGBERN CCS[C@@H]1CCCC[C@@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000075105374 453861013 /nfs/dbraw/zinc/86/10/13/453861013.db2.gz MMTIGZNZAWCXEH-NWDGAFQWSA-N 0 0 348.428 3.079 10 5 EGBERN Cc1ccc(C(=O)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)o1 ZINC000075148122 453867355 /nfs/dbraw/zinc/86/73/55/453867355.db2.gz ROMLFSHPGMCAFO-UHFFFAOYSA-N 0 0 341.367 3.316 10 5 EGBERN COc1cc(CN(C)c2ccncc2[N+](=O)[O-])ccc1OC(F)F ZINC000066796465 453874073 /nfs/dbraw/zinc/87/40/73/453874073.db2.gz SWZXSLIWZPUKQD-UHFFFAOYSA-N 0 0 339.298 3.236 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046410 453896951 /nfs/dbraw/zinc/89/69/51/453896951.db2.gz KDSMJZBHBJNFNE-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nn1C ZINC000081843734 453914856 /nfs/dbraw/zinc/91/48/56/453914856.db2.gz LEDXEPGKPJAHGA-LLVKDONJSA-N 0 0 328.372 3.043 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068185149 454005578 /nfs/dbraw/zinc/00/55/78/454005578.db2.gz FKDOYQYWVSBZSU-SJORKVTESA-N 0 0 344.342 3.033 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068399837 454023275 /nfs/dbraw/zinc/02/32/75/454023275.db2.gz UUVZTLYTNKLAAO-KKNUOHPOSA-N 0 0 329.400 3.315 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000042792224 454025449 /nfs/dbraw/zinc/02/54/49/454025449.db2.gz UWQXJQMJPJCXAQ-QGZVFWFLSA-N 0 0 342.399 3.165 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000043127025 454042546 /nfs/dbraw/zinc/04/25/46/454042546.db2.gz HXUCOZCSYAGPFF-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN Cc1csc([C@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n1 ZINC000068907548 454064676 /nfs/dbraw/zinc/06/46/76/454064676.db2.gz QEHIPDCKBUODTP-JTQLQIEISA-N 0 0 346.412 3.425 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1c(F)cccc1F ZINC000087142103 454065940 /nfs/dbraw/zinc/06/59/40/454065940.db2.gz SAUDNRCBLKNSRR-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(NCC2CCCC2)cc1 ZINC000069414383 454102604 /nfs/dbraw/zinc/10/26/04/454102604.db2.gz ALUGBUQJKNFAAC-UHFFFAOYSA-N 0 0 343.387 3.032 10 5 EGBERN O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000069417117 454103064 /nfs/dbraw/zinc/10/30/64/454103064.db2.gz ADAXMSOPDMQPQZ-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077734039 454148950 /nfs/dbraw/zinc/14/89/50/454148950.db2.gz MUFKERQHOYHXKN-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2CCO[C@@H](c3cccc(O)c3)C2)c(F)c1 ZINC000089602090 454166795 /nfs/dbraw/zinc/16/67/95/454166795.db2.gz RQRVJBHAPCJLEU-OAHLLOKOSA-N 0 0 336.294 3.157 10 5 EGBERN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045797502 454183629 /nfs/dbraw/zinc/18/36/29/454183629.db2.gz ZVBSTLNCWIGEQX-CYBMUJFWSA-N 0 0 348.424 3.338 10 5 EGBERN C[C@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccccc1 ZINC000130606007 454208314 /nfs/dbraw/zinc/20/83/14/454208314.db2.gz NUKWXCIIBNODFL-GFCCVEGCSA-N 0 0 325.324 3.215 10 5 EGBERN CC1(C)Cc2cc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000600894208 460631799 /nfs/dbraw/zinc/63/17/99/460631799.db2.gz OGTHCENBFSAPTF-UHFFFAOYSA-N 0 0 347.392 3.282 10 5 EGBERN Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2nc1C1CC1 ZINC000089870595 454221948 /nfs/dbraw/zinc/22/19/48/454221948.db2.gz UCSDXBDMCQMGCJ-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN Cn1cc(N2CCC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000078367831 454242343 /nfs/dbraw/zinc/24/23/43/454242343.db2.gz QIVSBGICFIACII-LBPRGKRZSA-N 0 0 335.795 3.063 10 5 EGBERN CCOC(=O)[C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000078405947 454248403 /nfs/dbraw/zinc/24/84/03/454248403.db2.gz ZAEGGIXYGNKWHM-CQSZACIVSA-N 0 0 329.356 3.057 10 5 EGBERN COc1cc(N2CCO[C@H](c3ccc(C)o3)C2)c(F)cc1[N+](=O)[O-] ZINC000095982732 454249769 /nfs/dbraw/zinc/24/97/69/454249769.db2.gz UYPDOFSWNRHCFN-INIZCTEOSA-N 0 0 336.319 3.222 10 5 EGBERN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1cc(-c2ccccc2)no1 ZINC000071907473 454251199 /nfs/dbraw/zinc/25/11/99/454251199.db2.gz QGDVUFPUINLHND-UHFFFAOYSA-N 0 0 337.291 3.206 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000046442208 454251973 /nfs/dbraw/zinc/25/19/73/454251973.db2.gz KFDNOJWDQGLJFT-UHFFFAOYSA-N 0 0 329.400 3.195 10 5 EGBERN COc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000078433153 454252665 /nfs/dbraw/zinc/25/26/65/454252665.db2.gz XXDQNLGYGBTZOX-UHFFFAOYSA-N 0 0 341.367 3.098 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N(c1ccccc1C)C(C)C ZINC000095988332 454253533 /nfs/dbraw/zinc/25/35/33/454253533.db2.gz WSVFUGXAXOARTR-UHFFFAOYSA-N 0 0 330.388 3.483 10 5 EGBERN CC(C)NC(=O)c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000046479107 454255139 /nfs/dbraw/zinc/25/51/39/454255139.db2.gz KJJDWDGMEIFGNI-UHFFFAOYSA-N 0 0 333.413 3.449 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000120451538 454304539 /nfs/dbraw/zinc/30/45/39/454304539.db2.gz VZFZFDVDCCGMSL-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN COC(=O)c1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000061529604 454345018 /nfs/dbraw/zinc/34/50/18/454345018.db2.gz COMPOEJFDISFPE-CQSZACIVSA-N 0 0 348.399 3.422 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cscn1 ZINC000097033577 454391684 /nfs/dbraw/zinc/39/16/84/454391684.db2.gz IYEXRFKPQPQDJW-UHFFFAOYSA-N 0 0 337.426 3.482 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434208 454435146 /nfs/dbraw/zinc/43/51/46/454435146.db2.gz DFVZNYWATLGZNO-WDEREUQCSA-N 0 0 346.305 3.211 10 5 EGBERN O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1c2ccccc2C[C@H]1O ZINC000091430609 454435752 /nfs/dbraw/zinc/43/57/52/454435752.db2.gz HMYKQOKNIDHBML-HUUCEWRRSA-N 0 0 349.184 3.428 10 5 EGBERN Cc1cnc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000091628963 454451525 /nfs/dbraw/zinc/45/15/25/454451525.db2.gz OSAHNVTWHNIWMT-AWEZNQCLSA-N 0 0 344.390 3.321 10 5 EGBERN O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000079836987 454488119 /nfs/dbraw/zinc/48/81/19/454488119.db2.gz JGFONPBCBMQEBY-UHFFFAOYSA-N 0 0 342.336 3.491 10 5 EGBERN CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccccc12 ZINC000048523584 454496273 /nfs/dbraw/zinc/49/62/73/454496273.db2.gz FCGCAVIIJCONBH-UHFFFAOYSA-N 0 0 338.319 3.255 10 5 EGBERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000048804935 454516796 /nfs/dbraw/zinc/51/67/96/454516796.db2.gz JBXMOFOXRYROPI-CYBMUJFWSA-N 0 0 341.367 3.028 10 5 EGBERN COC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000080057239 454526246 /nfs/dbraw/zinc/52/62/46/454526246.db2.gz FALNBBOYHWEEGM-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CCOC(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000065092356 454528463 /nfs/dbraw/zinc/52/84/63/454528463.db2.gz VZWAFMQONFLISG-ZDUSSCGKSA-N 0 0 348.380 3.081 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccc2C)n1 ZINC000122387085 454528785 /nfs/dbraw/zinc/52/87/85/454528785.db2.gz YXTWEULAHKNJJK-UHFFFAOYSA-N 0 0 326.312 3.243 10 5 EGBERN CCc1nc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000080123307 454538319 /nfs/dbraw/zinc/53/83/19/454538319.db2.gz RVFKPOLPSLKTAC-UHFFFAOYSA-N 0 0 348.428 3.348 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOCc1ccccc1 ZINC000103375069 454551130 /nfs/dbraw/zinc/55/11/30/454551130.db2.gz FRRINLABWGLDNL-CQSZACIVSA-N 0 0 340.379 3.479 10 5 EGBERN CCc1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134564269 454561116 /nfs/dbraw/zinc/56/11/16/454561116.db2.gz BWAVABQOLZCXMS-WMLDXEAASA-N 0 0 334.416 3.218 10 5 EGBERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122770833 454568175 /nfs/dbraw/zinc/56/81/75/454568175.db2.gz JJRWUDDZICZARY-TZMCWYRMSA-N 0 0 339.417 3.399 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000080541097 454596521 /nfs/dbraw/zinc/59/65/21/454596521.db2.gz NAXPOZUCVKIUFP-XMMPIXPASA-N 0 0 343.364 3.066 10 5 EGBERN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092688938 454612141 /nfs/dbraw/zinc/61/21/41/454612141.db2.gz QLIMMXCIQDEOPK-INIZCTEOSA-N 0 0 327.384 3.015 10 5 EGBERN CCc1cnc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000081205795 454695418 /nfs/dbraw/zinc/69/54/18/454695418.db2.gz KLCMLTXDHGJZSW-UHFFFAOYSA-N 0 0 339.804 3.240 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(C)nn(C)c1C ZINC000081259618 454699766 /nfs/dbraw/zinc/69/97/66/454699766.db2.gz WVYHVQCMNFZKHE-AWEZNQCLSA-N 0 0 330.388 3.135 10 5 EGBERN CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000124387324 454727165 /nfs/dbraw/zinc/72/71/65/454727165.db2.gz OETYLNXWPDBZAJ-ZDUSSCGKSA-N 0 0 334.401 3.044 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000176328587 454729726 /nfs/dbraw/zinc/72/97/26/454729726.db2.gz AHEJYSMNQCGRPK-CYBMUJFWSA-N 0 0 345.359 3.470 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000124440023 454733231 /nfs/dbraw/zinc/73/32/31/454733231.db2.gz KDZVTJAVNYWRLM-MEDUHNTESA-N 0 0 345.403 3.008 10 5 EGBERN COc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000107164806 454744489 /nfs/dbraw/zinc/74/44/89/454744489.db2.gz IZKFYDLCPVKPRB-UHFFFAOYSA-N 0 0 340.332 3.373 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000162517359 454780313 /nfs/dbraw/zinc/78/03/13/454780313.db2.gz VZIDEDVNHNJRMT-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176792204 454783718 /nfs/dbraw/zinc/78/37/18/454783718.db2.gz LJMSRLCFOOUSOZ-CQSZACIVSA-N 0 0 343.387 3.105 10 5 EGBERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402843 454790295 /nfs/dbraw/zinc/79/02/95/454790295.db2.gz YJSDRESHKHJITR-GDBMZVCRSA-N 0 0 345.443 3.133 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153623327 454813171 /nfs/dbraw/zinc/81/31/71/454813171.db2.gz WNSSMDDRYRKGER-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125412536 454819824 /nfs/dbraw/zinc/81/98/24/454819824.db2.gz XVEMUACRFHNPCA-LRDDRELGSA-N 0 0 342.399 3.245 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1 ZINC000191317420 455477086 /nfs/dbraw/zinc/47/70/86/455477086.db2.gz KTXSSSNSCDSXTE-UHFFFAOYSA-N 0 0 336.735 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000145987719 454856148 /nfs/dbraw/zinc/85/61/48/454856148.db2.gz LINQUHLYYWKHMD-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1F ZINC000126023509 454864646 /nfs/dbraw/zinc/86/46/46/454864646.db2.gz GVIMCKRGMDVFIC-OAHLLOKOSA-N 0 0 335.310 3.458 10 5 EGBERN COc1ccc(F)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000126035726 454865395 /nfs/dbraw/zinc/86/53/95/454865395.db2.gz KDZSVCXCQOOCJR-UHFFFAOYSA-N 0 0 336.344 3.473 10 5 EGBERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154130285 454868552 /nfs/dbraw/zinc/86/85/52/454868552.db2.gz APEHUFJPXRVOCK-KRWDZBQOSA-N 0 0 342.395 3.317 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCCC2 ZINC000150814394 454896638 /nfs/dbraw/zinc/89/66/38/454896638.db2.gz UNYQCXLBKINLJB-JKSUJKDBSA-N 0 0 347.415 3.108 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC000191466400 455487956 /nfs/dbraw/zinc/48/79/56/455487956.db2.gz IQSLLWWHYPGXSE-LBPRGKRZSA-N 0 0 338.367 3.455 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167842126 454924278 /nfs/dbraw/zinc/92/42/78/454924278.db2.gz UMJQIFIZIWMEGJ-HUUCEWRRSA-N 0 0 329.404 3.325 10 5 EGBERN Cc1nn(CCC(=O)NC[C@@H](C)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000127109570 454939178 /nfs/dbraw/zinc/93/91/78/454939178.db2.gz QAFDATPUCCDIEL-CYBMUJFWSA-N 0 0 344.415 3.027 10 5 EGBERN CCOC(=O)c1cnn(Cc2ccc([N+](=O)[O-])cc2F)c1C(F)F ZINC000267014707 455492620 /nfs/dbraw/zinc/49/26/20/455492620.db2.gz HROVSTQTVCHMED-UHFFFAOYSA-N 0 0 343.261 3.093 10 5 EGBERN CCN(CC)C(=S)Sc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639213 454946115 /nfs/dbraw/zinc/94/61/15/454946115.db2.gz XYKVSBQTGGEMQX-UHFFFAOYSA-N 0 0 339.442 3.198 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000151245522 454958163 /nfs/dbraw/zinc/95/81/63/454958163.db2.gz KUILYSODYQCUTQ-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155212366 454976027 /nfs/dbraw/zinc/97/60/27/454976027.db2.gz ZOAKINPHTLZMAL-MRXNPFEDSA-N 0 0 347.415 3.001 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1Nc1cnn(Cc2ccccn2)c1 ZINC000178835290 454982898 /nfs/dbraw/zinc/98/28/98/454982898.db2.gz CCEBUJMYNCTKDM-UHFFFAOYSA-N 0 0 330.735 3.027 10 5 EGBERN COC(=O)CCN(Cc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000178839687 454983150 /nfs/dbraw/zinc/98/31/50/454983150.db2.gz RQFVHYSLWLTJOZ-UHFFFAOYSA-N 0 0 349.774 3.213 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151529241 454997174 /nfs/dbraw/zinc/99/71/74/454997174.db2.gz VZERRVODNSYCOI-DYVFJYSZSA-N 0 0 333.388 3.062 10 5 EGBERN C[C@H](CC(=O)c1ccco1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155438936 455002466 /nfs/dbraw/zinc/00/24/66/455002466.db2.gz GFTKQRAHZUTUMA-SNVBAGLBSA-N 0 0 341.323 3.060 10 5 EGBERN Cc1ccc([C@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)o1 ZINC000127847554 455003543 /nfs/dbraw/zinc/00/35/43/455003543.db2.gz QGRXWGLVJGZHST-CQSZACIVSA-N 0 0 346.387 3.145 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115221712 455006338 /nfs/dbraw/zinc/00/63/38/455006338.db2.gz DDYOBJNGUDMQEE-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151648240 455012238 /nfs/dbraw/zinc/01/22/38/455012238.db2.gz ZAKQDNUKHVJGQI-GXFFZTMASA-N 0 0 332.381 3.121 10 5 EGBERN CCS[C@H](C)c1noc(CN(C)Cc2csc([N+](=O)[O-])c2)n1 ZINC000128004030 455017310 /nfs/dbraw/zinc/01/73/10/455017310.db2.gz BWWOVGYIFPDTQT-SECBINFHSA-N 0 0 342.446 3.485 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000156402661 455114396 /nfs/dbraw/zinc/11/43/96/455114396.db2.gz DQMCJXZUEKEDCA-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156441476 455118332 /nfs/dbraw/zinc/11/83/32/455118332.db2.gz UTYQBOYGEAMGIO-UHFFFAOYSA-N 0 0 337.335 3.008 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000180117375 455134517 /nfs/dbraw/zinc/13/45/17/455134517.db2.gz BWKCMRNQBBQJRX-ZWKOTPCHSA-N 0 0 339.395 3.078 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156701695 455145715 /nfs/dbraw/zinc/14/57/15/455145715.db2.gz QRMVODQUPLSULY-UHFFFAOYSA-N 0 0 348.790 3.490 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C)c2ccccc21 ZINC000172426136 455153137 /nfs/dbraw/zinc/15/31/37/455153137.db2.gz RCJRDDUPMPANMZ-UHFFFAOYSA-N 0 0 325.368 3.390 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000181227530 455304574 /nfs/dbraw/zinc/30/45/74/455304574.db2.gz MVPWFKZLGVNAOK-CQSZACIVSA-N 0 0 347.371 3.404 10 5 EGBERN Cc1cc(NC(=O)c2ccc3nccn3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183683641 455320419 /nfs/dbraw/zinc/32/04/19/455320419.db2.gz JAENZKMLFZEELM-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN Cc1csc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184069 455359124 /nfs/dbraw/zinc/35/91/24/455359124.db2.gz ZBLHPYWKNXROJK-GHMZBOCLSA-N 0 0 334.401 3.038 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2nnc(C3CCC3)[nH]2)cc1[N+](=O)[O-] ZINC000190715408 455372890 /nfs/dbraw/zinc/37/28/90/455372890.db2.gz VMCIHUKSRRILDD-UHFFFAOYSA-N 0 0 329.360 3.356 10 5 EGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746932 455378178 /nfs/dbraw/zinc/37/81/78/455378178.db2.gz RCDAIQPTLNHWQB-NSHDSACASA-N 0 0 332.331 3.356 10 5 EGBERN CC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000182273209 455477486 /nfs/dbraw/zinc/47/74/86/455477486.db2.gz NGRGKBVPLBQXBS-UHFFFAOYSA-N 0 0 348.742 3.468 10 5 EGBERN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000182285210 455480638 /nfs/dbraw/zinc/48/06/38/455480638.db2.gz DTDIOBAMOSVRKK-SNVBAGLBSA-N 0 0 341.323 3.316 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C)c3)CCCC2)n1 ZINC000191594372 455501535 /nfs/dbraw/zinc/50/15/35/455501535.db2.gz ZVSUXMSIWPOEKQ-UHFFFAOYSA-N 0 0 342.399 3.319 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)c(C)c2)n1 ZINC000191635034 455505534 /nfs/dbraw/zinc/50/55/34/455505534.db2.gz FBOYNCOGBVBHMZ-UHFFFAOYSA-N 0 0 332.360 3.159 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)n1 ZINC000191660050 455508747 /nfs/dbraw/zinc/50/87/47/455508747.db2.gz DKQNAKRJBCJCHW-UHFFFAOYSA-N 0 0 340.383 3.283 10 5 EGBERN CC[C@H](CSc1ccccc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191685332 455509196 /nfs/dbraw/zinc/50/91/96/455509196.db2.gz NQPXRFBEYBLAKN-GFCCVEGCSA-N 0 0 348.428 3.112 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000182512694 455530273 /nfs/dbraw/zinc/53/02/73/455530273.db2.gz UPUFDDMZXBYLER-BONVTDFDSA-N 0 0 330.388 3.306 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000176035675 455531119 /nfs/dbraw/zinc/53/11/19/455531119.db2.gz YXRPCOMEPOQNOU-WFASDCNBSA-N 0 0 341.367 3.397 10 5 EGBERN CN(CCc1ccncc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601020401 460678332 /nfs/dbraw/zinc/67/83/32/460678332.db2.gz NURFDHVNMOSOLA-UHFFFAOYSA-N 0 0 339.395 3.113 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000185600197 455583288 /nfs/dbraw/zinc/58/32/88/455583288.db2.gz MNOVJYDYBDFPBM-ZFWWWQNUSA-N 0 0 337.420 3.013 10 5 EGBERN CC[C@@H](NC(=O)N(C)[C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185599046 455583598 /nfs/dbraw/zinc/58/35/98/455583598.db2.gz MWXYGGJNKGLXIA-JKSUJKDBSA-N 0 0 337.420 3.094 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000185700990 455600494 /nfs/dbraw/zinc/60/04/94/455600494.db2.gz QUWUOTSXYKYMNC-CJTWTEFWSA-N 0 0 340.383 3.475 10 5 EGBERN Cc1ccc(-c2[nH]nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2C)o1 ZINC000192470885 455624685 /nfs/dbraw/zinc/62/46/85/455624685.db2.gz HBFWJYSZYBRXCG-UHFFFAOYSA-N 0 0 341.327 3.150 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000277858551 455688403 /nfs/dbraw/zinc/68/84/03/455688403.db2.gz AACVKECUUBAQRW-AWEZNQCLSA-N 0 0 326.352 3.384 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCCCNc3ccccn3)nc2c1 ZINC000277859057 455688452 /nfs/dbraw/zinc/68/84/52/455688452.db2.gz NVXBNHIUTYSSCV-UHFFFAOYSA-N 0 0 326.360 3.170 10 5 EGBERN CC(C)(C)c1csc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)n1 ZINC000268480802 455693461 /nfs/dbraw/zinc/69/34/61/455693461.db2.gz LAGZCYVNRNHKQT-UHFFFAOYSA-N 0 0 327.793 3.212 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000193493741 455762264 /nfs/dbraw/zinc/76/22/64/455762264.db2.gz NVBZADBYSRFZDR-XJKSGUPXSA-N 0 0 335.310 3.397 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000278156169 455772324 /nfs/dbraw/zinc/77/23/24/455772324.db2.gz XLAVSMSQBNMLLO-UHFFFAOYSA-N 0 0 336.779 3.067 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](CCO)c1ccccc1 ZINC000269096415 455789061 /nfs/dbraw/zinc/78/90/61/455789061.db2.gz NCNGFFALZHIKDF-KRWDZBQOSA-N 0 0 328.368 3.099 10 5 EGBERN COc1cc(NCc2ccc(C(C)=O)c(C)n2)c([N+](=O)[O-])cc1F ZINC000272033896 455826115 /nfs/dbraw/zinc/82/61/15/455826115.db2.gz SMBXOWKVAZFMOQ-UHFFFAOYSA-N 0 0 333.319 3.261 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000187145042 455874272 /nfs/dbraw/zinc/87/42/72/455874272.db2.gz XRJJVWMXRFAISB-JTQLQIEISA-N 0 0 327.768 3.327 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000194715541 455876108 /nfs/dbraw/zinc/87/61/08/455876108.db2.gz MEKLALGPMIZDPF-UHFFFAOYSA-N 0 0 345.374 3.034 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000272341329 455919297 /nfs/dbraw/zinc/91/92/97/455919297.db2.gz MQWCQCMQSSAINU-ZFWWWQNUSA-N 0 0 335.404 3.164 10 5 EGBERN CO[C@@H](C)c1noc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345547 455921067 /nfs/dbraw/zinc/92/10/67/455921067.db2.gz PLRRJUSYWGNOAI-NEPJUHHUSA-N 0 0 334.376 3.187 10 5 EGBERN CO[C@H](C)c1noc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345553 455921379 /nfs/dbraw/zinc/92/13/79/455921379.db2.gz PLRRJUSYWGNOAI-VXGBXAGGSA-N 0 0 334.376 3.187 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000286145890 455987487 /nfs/dbraw/zinc/98/74/87/455987487.db2.gz NVCIWQCBQIAZQS-CYBMUJFWSA-N 0 0 347.396 3.488 10 5 EGBERN CCOc1cccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601104936 460712012 /nfs/dbraw/zinc/71/20/12/460712012.db2.gz NFTYXVMQFFIEED-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN CCN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H](C)C1 ZINC000288491606 456096797 /nfs/dbraw/zinc/09/67/97/456096797.db2.gz PUJFPDOVXSBBHJ-CQSZACIVSA-N 0 0 349.434 3.260 10 5 EGBERN CCC[C@H]1C[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301418515 456110635 /nfs/dbraw/zinc/11/06/35/456110635.db2.gz DABXSLCRFCMRMZ-GZMMTYOYSA-N 0 0 334.344 3.192 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(CC(F)F)CC2)cc1C(F)(F)F ZINC000301456790 456120955 /nfs/dbraw/zinc/12/09/55/456120955.db2.gz XAJSKAUFTZIBQS-UHFFFAOYSA-N 0 0 339.264 3.001 10 5 EGBERN Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000301467338 456123420 /nfs/dbraw/zinc/12/34/20/456123420.db2.gz QPRUAEPBLKCBIG-UHFFFAOYSA-N 0 0 335.367 3.410 10 5 EGBERN COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(F)cc1[N+](=O)[O-] ZINC000271098514 456124203 /nfs/dbraw/zinc/12/42/03/456124203.db2.gz NWMIJJGUWGBQHM-OLZOCXBDSA-N 0 0 337.395 3.194 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000301541432 456141989 /nfs/dbraw/zinc/14/19/89/456141989.db2.gz KAPJGFGNLCIIQP-CYULLINESA-N 0 0 340.445 3.233 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCC3(c4ccccc4)CC3)cc2N1 ZINC000301616862 456163506 /nfs/dbraw/zinc/16/35/06/456163506.db2.gz KBIJGPDKKSPQDB-UHFFFAOYSA-N 0 0 339.351 3.069 10 5 EGBERN COC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC000601119034 460717648 /nfs/dbraw/zinc/71/76/48/460717648.db2.gz KMDPJPVFMWDCHZ-JTQLQIEISA-N 0 0 344.293 3.147 10 5 EGBERN CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301707350 456193116 /nfs/dbraw/zinc/19/31/16/456193116.db2.gz SUAYRYBVNOJNOD-SNVBAGLBSA-N 0 0 348.790 3.348 10 5 EGBERN CC(=O)Nc1cccc2c1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000301733048 456200275 /nfs/dbraw/zinc/20/02/75/456200275.db2.gz FUAUJJZDFKDTPT-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN CN(CCC1CCCCC1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301785475 456213710 /nfs/dbraw/zinc/21/37/10/456213710.db2.gz LACWUGVZVZEYBC-UHFFFAOYSA-N 0 0 340.445 3.405 10 5 EGBERN Cn1c(CCCNc2ncc(F)cc2[N+](=O)[O-])nc2ccccc21 ZINC000601123812 460718909 /nfs/dbraw/zinc/71/89/09/460718909.db2.gz KRWKIJAYWZGWMY-UHFFFAOYSA-N 0 0 329.335 3.060 10 5 EGBERN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120958 460719038 /nfs/dbraw/zinc/71/90/38/460719038.db2.gz LZGZDXMNGFCMFM-LBPRGKRZSA-N 0 0 347.321 3.367 10 5 EGBERN CC(C)c1noc(CCCNc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000301811878 456220754 /nfs/dbraw/zinc/22/07/54/456220754.db2.gz YIJJCTMRJNSDAM-UHFFFAOYSA-N 0 0 326.303 3.424 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000601125065 460719797 /nfs/dbraw/zinc/71/97/97/460719797.db2.gz BSWRKQFLTWLIRU-INIZCTEOSA-N 0 0 345.374 3.357 10 5 EGBERN Cc1cc(N(C)[C@@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000301956322 456258779 /nfs/dbraw/zinc/25/87/79/456258779.db2.gz MFPMDZDNOKGJMT-QGZVFWFLSA-N 0 0 343.358 3.284 10 5 EGBERN COc1cc(NC[C@H]2COC3(CCCCC3)O2)c([N+](=O)[O-])cc1F ZINC000302004592 456267403 /nfs/dbraw/zinc/26/74/03/456267403.db2.gz KJHGTVCNAZQQGQ-NSHDSACASA-N 0 0 340.351 3.230 10 5 EGBERN Cc1ccc([C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c(C)c1 ZINC000302029964 456271463 /nfs/dbraw/zinc/27/14/63/456271463.db2.gz JOELDRVYBJXWFY-IBGZPJMESA-N 0 0 342.395 3.282 10 5 EGBERN COc1cc(N2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000302043248 456274979 /nfs/dbraw/zinc/27/49/79/456274979.db2.gz XBDBXSVRXYCLDU-AWEZNQCLSA-N 0 0 346.358 3.190 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000340153361 456283105 /nfs/dbraw/zinc/28/31/05/456283105.db2.gz UNZATLLJKVFEBI-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN O=C1[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302090104 456284723 /nfs/dbraw/zinc/28/47/23/456284723.db2.gz ASTPLLSXCKEYJL-CQSZACIVSA-N 0 0 346.774 3.251 10 5 EGBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000334045825 456290148 /nfs/dbraw/zinc/29/01/48/456290148.db2.gz ZDSZTEMNEUMFRY-APPDUMDISA-N 0 0 338.379 3.041 10 5 EGBERN CC(C)N(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000297778569 456293232 /nfs/dbraw/zinc/29/32/32/456293232.db2.gz NIBCNOAIMHGUSN-NSHDSACASA-N 0 0 346.305 3.253 10 5 EGBERN COc1ncc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1 ZINC000347689609 456308264 /nfs/dbraw/zinc/30/82/64/456308264.db2.gz TYHSZOQEMXJVDO-UHFFFAOYSA-N 0 0 343.261 3.300 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000275819211 456322941 /nfs/dbraw/zinc/32/29/41/456322941.db2.gz PREAGCRBXGTQJP-NWDGAFQWSA-N 0 0 340.807 3.492 10 5 EGBERN CC(C)c1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000302387235 456338883 /nfs/dbraw/zinc/33/88/83/456338883.db2.gz HSZQPOSEOOHNQQ-MRXNPFEDSA-N 0 0 340.383 3.312 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NCc1cc(-c2cnn(C)c2)no1 ZINC000290512569 456349971 /nfs/dbraw/zinc/34/99/71/456349971.db2.gz FLGLXKOJMOEFSE-UHFFFAOYSA-N 0 0 327.344 3.158 10 5 EGBERN CCC1(CC)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000347757890 456353383 /nfs/dbraw/zinc/35/33/83/456353383.db2.gz STNQPSFPMZSBNA-LSYMRDCYSA-N 0 0 336.457 3.231 10 5 EGBERN Cc1cc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000302533070 456356591 /nfs/dbraw/zinc/35/65/91/456356591.db2.gz FTNAJWPQFCBMET-NSHDSACASA-N 0 0 346.353 3.373 10 5 EGBERN COc1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000337520599 456358333 /nfs/dbraw/zinc/35/83/33/456358333.db2.gz CLJXUIUTAXONFB-JTQLQIEISA-N 0 0 329.303 3.255 10 5 EGBERN C[C@@](CO)(NCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601148623 460730883 /nfs/dbraw/zinc/73/08/83/460730883.db2.gz FSJFLSHGUGFYHY-INIZCTEOSA-N 0 0 340.301 3.009 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])c1 ZINC000302697152 456377894 /nfs/dbraw/zinc/37/78/94/456377894.db2.gz TUDYKLKEHDKXQQ-CQSZACIVSA-N 0 0 341.367 3.199 10 5 EGBERN CCc1nc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cs1 ZINC000302705775 456379539 /nfs/dbraw/zinc/37/95/39/456379539.db2.gz YIKGBLMEBWRUGD-UHFFFAOYSA-N 0 0 335.385 3.321 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347824126 456387359 /nfs/dbraw/zinc/38/73/59/456387359.db2.gz IACPLNDFFDOLAV-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@](CO)(NCc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148646 460731743 /nfs/dbraw/zinc/73/17/43/460731743.db2.gz GDXPSMVXFUGHHW-CQSZACIVSA-N 0 0 326.805 3.307 10 5 EGBERN C[C@](CO)(NCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149528 460731892 /nfs/dbraw/zinc/73/18/92/460731892.db2.gz NPLYBLSQMYZURA-MRXNPFEDSA-N 0 0 340.301 3.009 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000347834306 456393450 /nfs/dbraw/zinc/39/34/50/456393450.db2.gz QZEGDONIDRCCLU-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](c2ccnn2C)C(C)C)c1 ZINC000302762866 456394301 /nfs/dbraw/zinc/39/43/01/456394301.db2.gz KSXWDRNHHMMBFY-GFCCVEGCSA-N 0 0 336.367 3.328 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818512 456408479 /nfs/dbraw/zinc/40/84/79/456408479.db2.gz NJPRPODTTRGFAM-OLZOCXBDSA-N 0 0 337.395 3.255 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000347855831 456408659 /nfs/dbraw/zinc/40/86/59/456408659.db2.gz UPUIHVVUBSDCLN-KCJUWKMLSA-N 0 0 332.278 3.016 10 5 EGBERN COCCc1nsc(Sc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000302833456 456412648 /nfs/dbraw/zinc/41/26/48/456412648.db2.gz SKWWIJNCZFRVPW-UHFFFAOYSA-N 0 0 331.806 3.440 10 5 EGBERN O=C(c1ccco1)N1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302861646 456418707 /nfs/dbraw/zinc/41/87/07/456418707.db2.gz QEJCDISFIUYHKE-UHFFFAOYSA-N 0 0 333.319 3.044 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC=C(Br)C1 ZINC000282163366 456429975 /nfs/dbraw/zinc/42/99/75/456429975.db2.gz JCMUUIWJXWCOMR-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000348000009 456433196 /nfs/dbraw/zinc/43/31/96/456433196.db2.gz SHHPKOXALYAECL-QLJPJBMISA-N 0 0 336.351 3.134 10 5 EGBERN CNC(=O)Nc1cc(NCc2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000353021947 456444261 /nfs/dbraw/zinc/44/42/61/456444261.db2.gz UBYNZBDINGPUDD-UHFFFAOYSA-N 0 0 332.335 3.406 10 5 EGBERN CSc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000353072393 456472383 /nfs/dbraw/zinc/47/23/83/456472383.db2.gz CBHOFJMTAJQHGS-UHFFFAOYSA-N 0 0 344.439 3.203 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000276430401 456478405 /nfs/dbraw/zinc/47/84/05/456478405.db2.gz POGLLTXKPLSXOW-CZUORRHYSA-N 0 0 349.431 3.472 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000337696036 456487768 /nfs/dbraw/zinc/48/77/68/456487768.db2.gz YBXJFJNXXWFCKZ-UHFFFAOYSA-N 0 0 338.367 3.118 10 5 EGBERN CC(C)(C)Oc1cc(NCC[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000343260305 456490640 /nfs/dbraw/zinc/49/06/40/456490640.db2.gz IAWCXALOQDQKBN-LBPRGKRZSA-N 0 0 336.310 3.497 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000348122998 456498985 /nfs/dbraw/zinc/49/89/85/456498985.db2.gz QBQUCKYQBGMEEX-UONOGXRCSA-N 0 0 326.352 3.279 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000276642717 456540574 /nfs/dbraw/zinc/54/05/74/456540574.db2.gz VFIQDXFYNUXJOV-LLVKDONJSA-N 0 0 328.796 3.084 10 5 EGBERN Cc1sc(C(=O)N2CCCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000298872880 456558577 /nfs/dbraw/zinc/55/85/77/456558577.db2.gz VSIWMDKQPPQCDJ-UHFFFAOYSA-N 0 0 345.424 3.317 10 5 EGBERN COC1(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000276743007 456566588 /nfs/dbraw/zinc/56/65/88/456566588.db2.gz LDQYPFJYTBOOGA-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN CCOc1cc(N2CCCC[C@@H]2c2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000337872813 456580571 /nfs/dbraw/zinc/58/05/71/456580571.db2.gz OQHMDHKRFOBGRG-CQSZACIVSA-N 0 0 331.376 3.152 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000337977645 456634537 /nfs/dbraw/zinc/63/45/37/456634537.db2.gz UUWKDRRXJOKPGK-LLVKDONJSA-N 0 0 331.294 3.118 10 5 EGBERN CC[C@H](C)Oc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000353394452 456672846 /nfs/dbraw/zinc/67/28/46/456672846.db2.gz FSMUXOSXXIDLLE-NSHDSACASA-N 0 0 332.360 3.241 10 5 EGBERN C[C@@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348424975 456683143 /nfs/dbraw/zinc/68/31/43/456683143.db2.gz SYRNHRADWGAKFW-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)c(OC)c2)c1 ZINC000326284111 456691713 /nfs/dbraw/zinc/69/17/13/456691713.db2.gz NNMMTARUEPRJPW-UHFFFAOYSA-N 0 0 332.312 3.142 10 5 EGBERN C[C@H]1c2ccccc2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000340851181 456718181 /nfs/dbraw/zinc/71/81/81/456718181.db2.gz OZSPECSSQMJNPH-LBPRGKRZSA-N 0 0 332.381 3.001 10 5 EGBERN CC(C)(C)Oc1cc(NC[C@H](CO)c2cccnc2)ccc1[N+](=O)[O-] ZINC000340938937 456772847 /nfs/dbraw/zinc/77/28/47/456772847.db2.gz QQVWOYTUGUWXQK-CQSZACIVSA-N 0 0 345.399 3.355 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)Cc1csc(N(C)C2CC2)n1 ZINC000338390689 456789806 /nfs/dbraw/zinc/78/98/06/456789806.db2.gz WSAVKYSFOPCGSJ-UHFFFAOYSA-N 0 0 346.456 3.324 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000348652667 456802321 /nfs/dbraw/zinc/80/23/21/456802321.db2.gz JSEPMNCKFHRIHV-GHMZBOCLSA-N 0 0 345.321 3.102 10 5 EGBERN CCOCc1nc([C@H](C)N[C@@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615123 456804723 /nfs/dbraw/zinc/80/47/23/456804723.db2.gz YAMOPHYVZGVDPQ-STQMWFEESA-N 0 0 348.403 3.186 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000277398692 456810824 /nfs/dbraw/zinc/81/08/24/456810824.db2.gz GTOXFCGFQSYLCI-CQSZACIVSA-N 0 0 347.396 3.346 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301198255 456820374 /nfs/dbraw/zinc/82/03/74/456820374.db2.gz OWLHYUUYAUFVQF-GFCCVEGCSA-N 0 0 328.328 3.194 10 5 EGBERN C[C@@H]1SCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H]1C ZINC000301252322 456835539 /nfs/dbraw/zinc/83/55/39/456835539.db2.gz AGNJMWWUMHTSGB-STQMWFEESA-N 0 0 349.456 3.161 10 5 EGBERN Cc1cc(C)n(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000341729313 456918693 /nfs/dbraw/zinc/91/86/93/456918693.db2.gz LTWPMGHVFVSNTE-UHFFFAOYSA-N 0 0 330.388 3.344 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000339144825 456962120 /nfs/dbraw/zinc/96/21/20/456962120.db2.gz SGPYLUKCAZGWTD-JTQLQIEISA-N 0 0 340.339 3.431 10 5 EGBERN C[N@H+](CCCOCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339158741 456969914 /nfs/dbraw/zinc/96/99/14/456969914.db2.gz RUDJSQMLHSAXMG-UHFFFAOYSA-N 0 0 330.384 3.339 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000339166615 456973984 /nfs/dbraw/zinc/97/39/84/456973984.db2.gz PJGJNNFVOJTTQB-SWLSCSKDSA-N 0 0 326.352 3.198 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341915946 456999677 /nfs/dbraw/zinc/99/96/77/456999677.db2.gz IUQHCXQPSIKCNU-SUMWQHHRSA-N 0 0 337.420 3.142 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356465860 457003793 /nfs/dbraw/zinc/00/37/93/457003793.db2.gz AUMONNIMLFTCFU-FUHWJXTLSA-N 0 0 326.352 3.063 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356469305 457005017 /nfs/dbraw/zinc/00/50/17/457005017.db2.gz DYGSJTKRHOJAOK-WMZOPIPTSA-N 0 0 326.352 3.063 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000349695791 457018026 /nfs/dbraw/zinc/01/80/26/457018026.db2.gz SHHRYMASBVOLCB-GFCCVEGCSA-N 0 0 327.388 3.159 10 5 EGBERN COc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C)c1 ZINC000341967418 457030065 /nfs/dbraw/zinc/03/00/65/457030065.db2.gz WEVNNSAALDFKQG-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)c1 ZINC000356590797 457072398 /nfs/dbraw/zinc/07/23/98/457072398.db2.gz JQWPBPMCHIKWPQ-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000346646476 457090668 /nfs/dbraw/zinc/09/06/68/457090668.db2.gz DEJKJONGKYKMGA-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN COc1c(C(=O)N2CC=C(c3ccccc3C)C2)cccc1[N+](=O)[O-] ZINC000356715578 457130682 /nfs/dbraw/zinc/13/06/82/457130682.db2.gz SDFWLCVMZVQFIM-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356720460 457133161 /nfs/dbraw/zinc/13/31/61/457133161.db2.gz CFKINELHQXWHOP-HIFRSBDPSA-N 0 0 331.416 3.359 10 5 EGBERN Nc1c(F)c(N2CCC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000359851094 457135473 /nfs/dbraw/zinc/13/54/73/457135473.db2.gz KMCBYFIFNSAEDG-SFHVURJKSA-N 0 0 343.358 3.342 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCOC1 ZINC000346734644 457137417 /nfs/dbraw/zinc/13/74/17/457137417.db2.gz XBADXGDHLNRBNV-ZDUSSCGKSA-N 0 0 338.429 3.348 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000356744877 457145905 /nfs/dbraw/zinc/14/59/05/457145905.db2.gz YTISPPDQEFITBT-VXGBXAGGSA-N 0 0 347.415 3.123 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000342189117 457157916 /nfs/dbraw/zinc/15/79/16/457157916.db2.gz OKXLDEPHLJAYAA-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN CC(C)COCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362936451 457163877 /nfs/dbraw/zinc/16/38/77/457163877.db2.gz VOYFAWMWWCCASS-UHFFFAOYSA-N 0 0 348.321 3.293 10 5 EGBERN COc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000359972575 457180155 /nfs/dbraw/zinc/18/01/55/457180155.db2.gz YXPONZDOANCCRR-OAHLLOKOSA-N 0 0 348.742 3.199 10 5 EGBERN C[C@@H]1[C@@H](c2ccccc2)[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346883729 457187398 /nfs/dbraw/zinc/18/73/98/457187398.db2.gz YZOIHNAVMRAAIB-NVGVWMPQSA-N 0 0 336.351 3.481 10 5 EGBERN Cn1cnc2cc(-c3noc(-c4ccc(F)cc4[N+](=O)[O-])n3)ccc21 ZINC000356877825 457193388 /nfs/dbraw/zinc/19/33/88/457193388.db2.gz ARRIFKUUBHMQAN-UHFFFAOYSA-N 0 0 339.286 3.338 10 5 EGBERN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000356894555 457203498 /nfs/dbraw/zinc/20/34/98/457203498.db2.gz RMPRVZARDVXZEE-VIFPVBQESA-N 0 0 331.275 3.085 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000356938102 457232307 /nfs/dbraw/zinc/23/23/07/457232307.db2.gz OSXGTCOMOCGKDP-LLVKDONJSA-N 0 0 326.312 3.488 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C2CCC2)cn1 ZINC000360069304 457237262 /nfs/dbraw/zinc/23/72/62/457237262.db2.gz OADOOIAWDPTYAD-UHFFFAOYSA-N 0 0 327.340 3.275 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1(C(F)(F)F)CCC1 ZINC000342338680 457244368 /nfs/dbraw/zinc/24/43/68/457244368.db2.gz FSKYARYNRBPPMB-UHFFFAOYSA-N 0 0 338.232 3.017 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342479832 457327009 /nfs/dbraw/zinc/32/70/09/457327009.db2.gz MHVBFRZRIWNFEM-UHFFFAOYSA-N 0 0 349.346 3.047 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nc2ccccc2[nH]1 ZINC000340096729 457330506 /nfs/dbraw/zinc/33/05/06/457330506.db2.gz GHKKZPUZXJWEKS-ZDUSSCGKSA-N 0 0 339.355 3.056 10 5 EGBERN Cc1ccc(CCC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000360760998 457340655 /nfs/dbraw/zinc/34/06/55/457340655.db2.gz FSGVKHNPGVPLTJ-UHFFFAOYSA-N 0 0 339.351 3.346 10 5 EGBERN CCOc1cccc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1 ZINC000342518142 457347563 /nfs/dbraw/zinc/34/75/63/457347563.db2.gz WKZYDQJEFDNZBW-UHFFFAOYSA-N 0 0 332.747 3.440 10 5 EGBERN COc1ccc(NC(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000357193379 457368571 /nfs/dbraw/zinc/36/85/71/457368571.db2.gz LOQOCGDJHQNVMB-UHFFFAOYSA-N 0 0 343.339 3.123 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425024459 457407965 /nfs/dbraw/zinc/40/79/65/457407965.db2.gz YQKSAXVSFQNYFY-SJLPKXTDSA-N 0 0 328.343 3.281 10 5 EGBERN COc1ccc(C)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000360923113 457436009 /nfs/dbraw/zinc/43/60/09/457436009.db2.gz DKJPEZDYDNXNTB-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN C[C@@H](Cc1ccccc1F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357321683 457444513 /nfs/dbraw/zinc/44/45/13/457444513.db2.gz AYIPUPZRNYAREK-NSHDSACASA-N 0 0 342.330 3.449 10 5 EGBERN CC[C@@H](C)n1nc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1C ZINC000357327634 457448305 /nfs/dbraw/zinc/44/83/05/457448305.db2.gz GCAFDIDXDQSWOY-SNVBAGLBSA-N 0 0 342.359 3.107 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CCc3cc(F)ccc3F)n2)nc1 ZINC000357327011 457448891 /nfs/dbraw/zinc/44/88/91/457448891.db2.gz HQPCXZCVTXSECB-UHFFFAOYSA-N 0 0 346.293 3.027 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCc2cccc(Br)c2C1 ZINC000360990831 457496111 /nfs/dbraw/zinc/49/61/11/457496111.db2.gz OSXDPYBWYWJGQY-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCc1nccs1 ZINC000357413538 457507879 /nfs/dbraw/zinc/50/78/79/457507879.db2.gz QXVJVMWJPHSCKB-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000374197939 457519283 /nfs/dbraw/zinc/51/92/83/457519283.db2.gz KYHYAJMTVOVEGN-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CCNc1nccnc1OC(F)F ZINC000361044660 457538589 /nfs/dbraw/zinc/53/85/89/457538589.db2.gz JBJUMMGEBXUMJN-UHFFFAOYSA-N 0 0 344.705 3.294 10 5 EGBERN C[C@@H]1C[C@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357473419 457549558 /nfs/dbraw/zinc/54/95/58/457549558.db2.gz QOCRRRRVXTVTBI-DGCLKSJQSA-N 0 0 342.355 3.263 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000361061562 457554445 /nfs/dbraw/zinc/55/44/45/457554445.db2.gz IDLMSVDOXBUSNI-OAHLLOKOSA-N 0 0 348.378 3.145 10 5 EGBERN Cn1cc(-c2nc(-c3ccco3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357482168 457556366 /nfs/dbraw/zinc/55/63/66/457556366.db2.gz KOHJEBKKBBMXMU-UHFFFAOYSA-N 0 0 337.295 3.305 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@](C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000408049959 457557674 /nfs/dbraw/zinc/55/76/74/457557674.db2.gz GYBGIRZBLBPKAO-UGSOOPFHSA-N 0 0 349.406 3.405 10 5 EGBERN C[C@@H]1c2ccccc2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361072965 457564285 /nfs/dbraw/zinc/56/42/85/457564285.db2.gz KUJVGWDHPJQFFY-CYBMUJFWSA-N 0 0 337.379 3.061 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361161112 457621521 /nfs/dbraw/zinc/62/15/21/457621521.db2.gz GAUWXFBJTBSSMG-UHFFFAOYSA-N 0 0 342.399 3.126 10 5 EGBERN Cc1c(-c2nc(-c3ncccc3-n3cccn3)no2)cccc1[N+](=O)[O-] ZINC000361196550 457641362 /nfs/dbraw/zinc/64/13/62/457641362.db2.gz ZCAQEJPNBMJXGG-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CNc1c(C(=O)NC[C@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000361220631 457651058 /nfs/dbraw/zinc/65/10/58/457651058.db2.gz LTTQAOOVXGZPHR-JTQLQIEISA-N 0 0 349.337 3.448 10 5 EGBERN Nc1c(F)c(N2CCc3[nH]c4ccc(F)cc4c3C2)ccc1[N+](=O)[O-] ZINC000357755193 457678603 /nfs/dbraw/zinc/67/86/03/457678603.db2.gz NNZZXKNQSRHLPD-UHFFFAOYSA-N 0 0 344.321 3.499 10 5 EGBERN COc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000370705789 457703372 /nfs/dbraw/zinc/70/33/72/457703372.db2.gz JFZXPUIJOQBONS-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000374783998 457706401 /nfs/dbraw/zinc/70/64/01/457706401.db2.gz RQXOLNKBWVOHEX-OAHLLOKOSA-N 0 0 344.371 3.352 10 5 EGBERN Cc1ccc(C(=O)N2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000374965812 457741913 /nfs/dbraw/zinc/74/19/13/457741913.db2.gz MURUPSKLAAXACU-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN COc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000365326099 457742592 /nfs/dbraw/zinc/74/25/92/457742592.db2.gz LVNJWGYTWLBKKH-LLVKDONJSA-N 0 0 334.372 3.017 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC(=O)Nc2ccccc21 ZINC000374993725 457747875 /nfs/dbraw/zinc/74/78/75/457747875.db2.gz HSYPNJQHKOHJKL-SNVBAGLBSA-N 0 0 345.742 3.313 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C2CCC2)cc1OC ZINC000411044947 457784829 /nfs/dbraw/zinc/78/48/29/457784829.db2.gz QUHKSAONSXWIIE-UHFFFAOYSA-N 0 0 336.388 3.311 10 5 EGBERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411207991 457831062 /nfs/dbraw/zinc/83/10/62/457831062.db2.gz KADPCZRTGFAPGF-GJZGRUSLSA-N 0 0 347.415 3.173 10 5 EGBERN Cn1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000361787522 457859255 /nfs/dbraw/zinc/85/92/55/457859255.db2.gz ODDIIJKZFYFLQE-UHFFFAOYSA-N 0 0 343.387 3.263 10 5 EGBERN CC[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000426671976 457875530 /nfs/dbraw/zinc/87/55/30/457875530.db2.gz YJKMUIUFXCLAHP-LBPRGKRZSA-N 0 0 332.356 3.445 10 5 EGBERN COC(=O)c1cnc(N(C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000433801518 457888221 /nfs/dbraw/zinc/88/82/21/457888221.db2.gz DHGSCDAGSCHDDP-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358262846 457896051 /nfs/dbraw/zinc/89/60/51/457896051.db2.gz FUYDSDKYAXNZHL-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000434140974 457953043 /nfs/dbraw/zinc/95/30/43/457953043.db2.gz JHHUSLDWRWUNPC-CYBMUJFWSA-N 0 0 345.374 3.356 10 5 EGBERN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458268473 457994933 /nfs/dbraw/zinc/99/49/33/457994933.db2.gz YUSPIOUTKHLCBB-MIMYLULJSA-N 0 0 326.299 3.115 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000427595474 458006416 /nfs/dbraw/zinc/00/64/16/458006416.db2.gz VQHVGJOOGCMQOZ-LBPRGKRZSA-N 0 0 348.790 3.094 10 5 EGBERN COc1ccnc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000445133425 458018634 /nfs/dbraw/zinc/01/86/34/458018634.db2.gz HONLLEDVXPEKTE-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN Cc1cnccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445218009 458027309 /nfs/dbraw/zinc/02/73/09/458027309.db2.gz QILDFEBHCMJVEI-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccccc1[N+](=O)[O-] ZINC000434782906 458051321 /nfs/dbraw/zinc/05/13/21/458051321.db2.gz HTULIOCTIVUTQT-WMZOPIPTSA-N 0 0 340.379 3.474 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C/C=C\c3ccc(C)cc3)n2)n1C ZINC000445602763 458068674 /nfs/dbraw/zinc/06/86/74/458068674.db2.gz XCTWOWFKJMKDTA-PLNGDYQASA-N 0 0 339.355 3.251 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCCc1ccc2c(c1)OCCO2 ZINC000434942337 458069065 /nfs/dbraw/zinc/06/90/65/458069065.db2.gz JOVWEUVJZAXMBQ-UHFFFAOYSA-N 0 0 349.774 3.459 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3-c3ccccc3C2)n1 ZINC000362428639 458169943 /nfs/dbraw/zinc/16/99/43/458169943.db2.gz JQOGZYUQDQYUFR-UHFFFAOYSA-N 0 0 348.362 3.151 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cccc(C)c3C2)c1 ZINC000428670936 458187998 /nfs/dbraw/zinc/18/79/98/458187998.db2.gz NJGLUQDGXOONPV-UHFFFAOYSA-N 0 0 326.352 3.253 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H](C)CCSC ZINC000358747734 458190345 /nfs/dbraw/zinc/19/03/45/458190345.db2.gz XCRSTFHBZKHOQA-LBPRGKRZSA-N 0 0 349.460 3.451 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372151516 458211136 /nfs/dbraw/zinc/21/11/36/458211136.db2.gz WQRVFQDAYVOWLY-CQSZACIVSA-N 0 0 328.372 3.009 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000435868332 458217049 /nfs/dbraw/zinc/21/70/49/458217049.db2.gz DJHHTAYPUXMDGZ-ZBEGNZNMSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000376193921 458229033 /nfs/dbraw/zinc/22/90/33/458229033.db2.gz GOKKHSVBPUVLIC-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Nc1ccc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000376393249 458287005 /nfs/dbraw/zinc/28/70/05/458287005.db2.gz BHJMCXPOEQQKCZ-DOTOQJQBSA-N 0 0 335.367 3.331 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000376474309 458311538 /nfs/dbraw/zinc/31/15/38/458311538.db2.gz NGOFIAXOFRRLLQ-UHFFFAOYSA-N 0 0 348.353 3.172 10 5 EGBERN Cc1c(Cc2noc([C@@H]3CCCc4n[nH]cc43)n2)cccc1[N+](=O)[O-] ZINC000373193201 458425450 /nfs/dbraw/zinc/42/54/50/458425450.db2.gz MCKKVMVHSZPUQJ-GFCCVEGCSA-N 0 0 339.355 3.068 10 5 EGBERN Cc1ncsc1-c1nc(COc2c(F)cccc2[N+](=O)[O-])no1 ZINC000376952237 458427940 /nfs/dbraw/zinc/42/79/40/458427940.db2.gz YHDVRYOVIVTAGV-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000430403175 458446594 /nfs/dbraw/zinc/44/65/94/458446594.db2.gz UJEMPBFENWKWAW-UYHISHBKSA-N 0 0 340.379 3.269 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000373362270 458471689 /nfs/dbraw/zinc/47/16/89/458471689.db2.gz NIXYPPSCWGKUEZ-RIBQSRIRSA-N 0 0 344.411 3.320 10 5 EGBERN Cc1cc(OCC(=O)N2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430692049 458480775 /nfs/dbraw/zinc/48/07/75/458480775.db2.gz LBGKZVXLOXMJJV-ZDUSSCGKSA-N 0 0 326.352 3.385 10 5 EGBERN O=C(NCC1CCN(c2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000373402602 458482679 /nfs/dbraw/zinc/48/26/79/458482679.db2.gz JZYCQMNWOZITHU-UHFFFAOYSA-N 0 0 345.424 3.303 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CO[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431176590 458539749 /nfs/dbraw/zinc/53/97/49/458539749.db2.gz VAWYWXMMCVRKJL-CBAPKCEASA-N 0 0 343.177 3.029 10 5 EGBERN CC(C)[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468891690 458542184 /nfs/dbraw/zinc/54/21/84/458542184.db2.gz HRZXGUSBPNILHM-YGRLFVJLSA-N 0 0 347.337 3.488 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000438480866 458584099 /nfs/dbraw/zinc/58/40/99/458584099.db2.gz GIYJGFOGLMXMJD-GOSISDBHSA-N 0 0 345.399 3.137 10 5 EGBERN CCN(C[C@H](C)OC)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462088332 458593102 /nfs/dbraw/zinc/59/31/02/458593102.db2.gz HLAQOTJAFHKGPY-AWEZNQCLSA-N 0 0 345.399 3.430 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC2(CC2)CC1 ZINC000373780366 458602310 /nfs/dbraw/zinc/60/23/10/458602310.db2.gz LZCQKNVUUXBMQV-UHFFFAOYSA-N 0 0 339.189 3.374 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000438957184 458633377 /nfs/dbraw/zinc/63/33/77/458633377.db2.gz YJGCFWIWPBPNAF-UHFFFAOYSA-N 0 0 337.767 3.155 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000456413640 458670849 /nfs/dbraw/zinc/67/08/49/458670849.db2.gz ICKDLNSYKKEKEP-ONGXEEELSA-N 0 0 334.763 3.189 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](COC)Cc1ccccc1 ZINC000471435964 458693618 /nfs/dbraw/zinc/69/36/18/458693618.db2.gz JGBZGXXJUUXQFW-CQSZACIVSA-N 0 0 348.424 3.376 10 5 EGBERN CN1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000456601987 458727737 /nfs/dbraw/zinc/72/77/37/458727737.db2.gz GYRMSVXSYHKCPN-KRWDZBQOSA-N 0 0 339.395 3.225 10 5 EGBERN C[C@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000530326553 458747983 /nfs/dbraw/zinc/74/79/83/458747983.db2.gz XCYBHOARQSFEGR-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530388156 458759195 /nfs/dbraw/zinc/75/91/95/458759195.db2.gz QNTKXUKOGXJJNR-MCIONIFRSA-N 0 0 335.404 3.050 10 5 EGBERN Cc1cc(NC(=O)C2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432992578 458822874 /nfs/dbraw/zinc/82/28/74/458822874.db2.gz JWIQUFKRQWIBDW-UHFFFAOYSA-N 0 0 347.374 3.227 10 5 EGBERN C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000473520926 458832779 /nfs/dbraw/zinc/83/27/79/458832779.db2.gz PZRDCLIIGDKLLG-NSHDSACASA-N 0 0 337.335 3.467 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000457081387 458858795 /nfs/dbraw/zinc/85/87/95/458858795.db2.gz MVROZQUTBSCNPU-DGCLKSJQSA-N 0 0 348.790 3.048 10 5 EGBERN COc1cc(OCC(=O)NCC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000457130680 458877583 /nfs/dbraw/zinc/87/75/83/458877583.db2.gz AVJKTAMGBDOSRC-UHFFFAOYSA-N 0 0 348.399 3.069 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC(C)(C)C1 ZINC000466589468 458908424 /nfs/dbraw/zinc/90/84/24/458908424.db2.gz ZDNSRQJRTSXFSN-UHFFFAOYSA-N 0 0 332.447 3.103 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccoc4)[nH]n3)n2)s1 ZINC000556002693 458922635 /nfs/dbraw/zinc/92/26/35/458922635.db2.gz GAXBOGBJIYCGTP-UHFFFAOYSA-N 0 0 329.297 3.356 10 5 EGBERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628392 458947661 /nfs/dbraw/zinc/94/76/61/458947661.db2.gz YBZUUFHYUZDZKF-BMIGLBTASA-N 0 0 349.774 3.149 10 5 EGBERN COc1cc(N(C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000467794142 458987103 /nfs/dbraw/zinc/98/71/03/458987103.db2.gz ZIKPOPORVPWAJX-GOSISDBHSA-N 0 0 346.358 3.493 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888099 458995296 /nfs/dbraw/zinc/99/52/96/458995296.db2.gz VSOALSJKCXKFFF-NXEZZACHSA-N 0 0 331.294 3.088 10 5 EGBERN O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000577375727 459023908 /nfs/dbraw/zinc/02/39/08/459023908.db2.gz OBZWYIYYLBBCAI-VHSXEESVSA-N 0 0 332.278 3.207 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000532054482 459024321 /nfs/dbraw/zinc/02/43/21/459024321.db2.gz MQBGKNSAKJALQZ-ZDUSSCGKSA-N 0 0 343.383 3.303 10 5 EGBERN O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc([N+](=O)[O-])cn1 ZINC000532145248 459036903 /nfs/dbraw/zinc/03/69/03/459036903.db2.gz KGVHLQPVDJRKHI-UHFFFAOYSA-N 0 0 348.362 3.422 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000557040888 459045214 /nfs/dbraw/zinc/04/52/14/459045214.db2.gz XAZPSWKYXOCWBR-IWIIMEHWSA-N 0 0 339.189 3.194 10 5 EGBERN COc1ccc(CN2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000590009053 459066092 /nfs/dbraw/zinc/06/60/92/459066092.db2.gz JWXLVSUMCATSEU-UHFFFAOYSA-N 0 0 334.322 3.423 10 5 EGBERN CC(C)(C)OC(=O)CCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000594530874 459080351 /nfs/dbraw/zinc/08/03/51/459080351.db2.gz KPBKTTPYGXORHO-UHFFFAOYSA-N 0 0 337.332 3.292 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2ccc(C)nc2)CC1 ZINC000520686327 459083758 /nfs/dbraw/zinc/08/37/58/459083758.db2.gz MCCWJOBDQNEIFY-UHFFFAOYSA-N 0 0 329.404 3.207 10 5 EGBERN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])c(OC(C)C)n2)no1 ZINC000594546432 459085141 /nfs/dbraw/zinc/08/51/41/459085141.db2.gz FYWKPZTVLBYYBY-GFCCVEGCSA-N 0 0 347.375 3.200 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594590936 459100519 /nfs/dbraw/zinc/10/05/19/459100519.db2.gz OVSYDDXTIPUNRF-DGCLKSJQSA-N 0 0 334.401 3.359 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3ccc4cccnc4n3)CC2)nc1 ZINC000594590505 459101323 /nfs/dbraw/zinc/10/13/23/459101323.db2.gz COMBJVCCKYSPAU-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000594593551 459101553 /nfs/dbraw/zinc/10/15/53/459101553.db2.gz DCJGDFVDFJZYMX-HAQNSBGRSA-N 0 0 333.388 3.238 10 5 EGBERN Cc1c(CNC(=O)NC/C=C/c2ccccc2)cccc1[N+](=O)[O-] ZINC000478651393 459102333 /nfs/dbraw/zinc/10/23/33/459102333.db2.gz JSAQZRODPNXCKY-RMKNXTFCSA-N 0 0 325.368 3.416 10 5 EGBERN COC[C@@H](CC(C)(C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000594600836 459105038 /nfs/dbraw/zinc/10/50/38/459105038.db2.gz SEIJWZUGHXTZEU-GFCCVEGCSA-N 0 0 335.404 3.343 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)nc2c1 ZINC000594603344 459107523 /nfs/dbraw/zinc/10/75/23/459107523.db2.gz UJCZZTPGXZSYAC-CABZTGNLSA-N 0 0 344.293 3.383 10 5 EGBERN COc1cc(C(=O)NCc2oc(C(C)C)nc2C)cc([N+](=O)[O-])c1C ZINC000590393741 459122511 /nfs/dbraw/zinc/12/25/11/459122511.db2.gz UPLDLDOMXJWBSJ-UHFFFAOYSA-N 0 0 347.371 3.262 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000590536762 459146327 /nfs/dbraw/zinc/14/63/27/459146327.db2.gz QPJFIDLFGHYFEW-UHFFFAOYSA-N 0 0 332.400 3.145 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590557235 459148532 /nfs/dbraw/zinc/14/85/32/459148532.db2.gz UPHIWXYDJSCYNI-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN COC(=O)c1ccnc(N(C)Cc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000590569557 459151898 /nfs/dbraw/zinc/15/18/98/459151898.db2.gz KDGZAGHRWONZBO-UHFFFAOYSA-N 0 0 341.776 3.128 10 5 EGBERN COc1cc(C(=O)NCCCc2cccc(F)c2)cc([N+](=O)[O-])c1C ZINC000480111849 459183786 /nfs/dbraw/zinc/18/37/86/459183786.db2.gz PSRYDTCEHJUWKD-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@H]1CCOC3(CCOCC3)C1)CCCC2 ZINC000568387948 459279830 /nfs/dbraw/zinc/27/98/30/459279830.db2.gz WWEAVUMNIHYVOX-AWEZNQCLSA-N 0 0 347.415 3.009 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2cnc3c2CCCC3)n1 ZINC000568563136 459308075 /nfs/dbraw/zinc/30/80/75/459308075.db2.gz YJMWIMXIXMNRGC-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN Cc1noc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595477988 459317742 /nfs/dbraw/zinc/31/77/42/459317742.db2.gz XBYJURWRUVCBMU-NSHDSACASA-N 0 0 333.310 3.446 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595478340 459317858 /nfs/dbraw/zinc/31/78/58/459317858.db2.gz UHZPDVQZVKSYBR-CYBMUJFWSA-N 0 0 345.374 3.473 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(=O)[O-] ZINC000582241349 459332428 /nfs/dbraw/zinc/33/24/28/459332428.db2.gz NIJINNRMNBSYOP-MLGOLLRUSA-N 0 0 344.367 3.397 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC(OC(F)F)CC1 ZINC000591514552 459394341 /nfs/dbraw/zinc/39/43/41/459394341.db2.gz LBKGLCAQIXSWMI-UHFFFAOYSA-N 0 0 342.342 3.492 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C\[C@H]4CCCO4)n3)c2c1 ZINC000591665892 459420216 /nfs/dbraw/zinc/42/02/16/459420216.db2.gz UGHMNZUILCKTCV-RYWCDNDXSA-N 0 0 340.339 3.242 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595772123 459434630 /nfs/dbraw/zinc/43/46/30/459434630.db2.gz DWQUNUOISBKKDU-YQQAZPJKSA-N 0 0 331.416 3.215 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000485374529 459451703 /nfs/dbraw/zinc/45/17/03/459451703.db2.gz FMXGDWHMUWAUNI-HZPDHXFCSA-N 0 0 348.399 3.326 10 5 EGBERN COc1cc(C[N@H+](C)CCOc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000485719860 459467010 /nfs/dbraw/zinc/46/70/10/459467010.db2.gz WMPMGVHFTIWZKV-UHFFFAOYSA-N 0 0 330.384 3.423 10 5 EGBERN COc1cc(CN2CCN(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000485741322 459468008 /nfs/dbraw/zinc/46/80/08/459468008.db2.gz YXTFTTNNBQUTBQ-UHFFFAOYSA-N 0 0 341.411 3.234 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(CC1CC1)CC1CCC1 ZINC000569646986 459484758 /nfs/dbraw/zinc/48/47/58/459484758.db2.gz HPJWZEJBWBGKBK-UHFFFAOYSA-N 0 0 338.354 3.454 10 5 EGBERN CCOC(=O)Cc1ccc(NCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000591946294 459494060 /nfs/dbraw/zinc/49/40/60/459494060.db2.gz JTHDCWMJNXFCGE-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN CCc1nn(C)c(NCC[C@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000591965309 459498865 /nfs/dbraw/zinc/49/88/65/459498865.db2.gz FFIWHCLSBZQPNU-NSHDSACASA-N 0 0 348.428 3.246 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOc2ccc(F)cc2)c1 ZINC000542042249 459522891 /nfs/dbraw/zinc/52/28/91/459522891.db2.gz AOHOUUZRIAISAB-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN CC[C@@H]1CO[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596155942 459540835 /nfs/dbraw/zinc/54/08/35/459540835.db2.gz MFKYWASTYBDBOU-VHSXEESVSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(NCCc2ccncc2C)ccc1[N+](=O)[O-] ZINC000596173920 459547985 /nfs/dbraw/zinc/54/79/85/459547985.db2.gz BZRUBRDMDTVNIV-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000592298505 459573471 /nfs/dbraw/zinc/57/34/71/459573471.db2.gz NUXXWHYQGKQNHK-MRXNPFEDSA-N 0 0 345.399 3.008 10 5 EGBERN COc1cc(N2CC(CO)(c3ccccc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596274025 459580985 /nfs/dbraw/zinc/58/09/85/459580985.db2.gz NPKPQZOFNNQWNL-UHFFFAOYSA-N 0 0 348.786 3.007 10 5 EGBERN O=c1[nH]ccc(NCC[C@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000596287408 459584534 /nfs/dbraw/zinc/58/45/34/459584534.db2.gz RVECGHXUCPXQQB-JTQLQIEISA-N 0 0 333.369 3.051 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000596290637 459586744 /nfs/dbraw/zinc/58/67/44/459586744.db2.gz QFNOAPBEDPVNAL-UHFFFAOYSA-N 0 0 334.706 3.270 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCC(F)(F)CC1 ZINC000596297013 459588011 /nfs/dbraw/zinc/58/80/11/459588011.db2.gz PNMCWLCDLJEKAZ-SECBINFHSA-N 0 0 327.331 3.320 10 5 EGBERN O=C1CC(C2CCCC2)CC(=O)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000596308801 459591953 /nfs/dbraw/zinc/59/19/53/459591953.db2.gz VMMAOIATBBTAKG-UHFFFAOYSA-N 0 0 334.347 3.189 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000596318612 459594140 /nfs/dbraw/zinc/59/41/40/459594140.db2.gz OZLFBSQLCGZFMN-ZANVPECISA-N 0 0 334.294 3.077 10 5 EGBERN CC[C@@H](Cc1ccc(F)cc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596316524 459594549 /nfs/dbraw/zinc/59/45/49/459594549.db2.gz IPIRMFCOLPEBNM-AWEZNQCLSA-N 0 0 333.363 3.242 10 5 EGBERN C[C@@H](C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572916284 459595045 /nfs/dbraw/zinc/59/50/45/459595045.db2.gz AZNXMXDPAMRASB-UONOGXRCSA-N 0 0 342.395 3.494 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccco3)CC2)c1 ZINC000596332868 459598974 /nfs/dbraw/zinc/59/89/74/459598974.db2.gz AYMNZTVGTWXFNL-UHFFFAOYSA-N 0 0 330.340 3.358 10 5 EGBERN Cc1ccc([C@@H](C)N2C(=O)N[C@@H](CC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000592458382 459604295 /nfs/dbraw/zinc/60/42/95/459604295.db2.gz FKCYMSFUMJJVCM-YPMHNXCESA-N 0 0 333.388 3.321 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596365896 459609642 /nfs/dbraw/zinc/60/96/42/459609642.db2.gz LHBWQYDPZDEUTF-VUHZHCFISA-N 0 0 346.836 3.358 10 5 EGBERN Cc1cc(OCC(=O)N2CCc3c2c(F)ccc3F)ccc1[N+](=O)[O-] ZINC000498931192 459614090 /nfs/dbraw/zinc/61/40/90/459614090.db2.gz COOHOEJCDMMRPJ-UHFFFAOYSA-N 0 0 348.305 3.150 10 5 EGBERN COc1cc(CN2CC(C)(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000592523261 459624642 /nfs/dbraw/zinc/62/46/42/459624642.db2.gz KCFQIBGVWVWHKR-UHFFFAOYSA-N 0 0 330.331 3.089 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCO[C@@H]2CC2(F)F)c1 ZINC000596405901 459626749 /nfs/dbraw/zinc/62/67/49/459626749.db2.gz ZWZAGHOEHSFFAF-GFCCVEGCSA-N 0 0 347.339 3.039 10 5 EGBERN COc1cc(NC[C@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000543186980 459632577 /nfs/dbraw/zinc/63/25/77/459632577.db2.gz YYOWKYSEAFVHQO-CYBMUJFWSA-N 0 0 334.347 3.148 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596425024 459633711 /nfs/dbraw/zinc/63/37/11/459633711.db2.gz XEPPFJPRBURWLH-GOSISDBHSA-N 0 0 341.411 3.082 10 5 EGBERN CC(C)[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1F ZINC000596440418 459636607 /nfs/dbraw/zinc/63/66/07/459636607.db2.gz KHULFOVHXBWGSA-MRXNPFEDSA-N 0 0 329.335 3.008 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@](O)(C2CC2)C1 ZINC000596462054 459644957 /nfs/dbraw/zinc/64/49/57/459644957.db2.gz JSYPAKISGLWCRJ-AWEZNQCLSA-N 0 0 341.205 3.099 10 5 EGBERN C[C@H]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000596474821 459649469 /nfs/dbraw/zinc/64/94/69/459649469.db2.gz OVBPZSLRRNOZGF-WCBMZHEXSA-N 0 0 330.182 3.122 10 5 EGBERN Cc1cncc(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000596500038 459657698 /nfs/dbraw/zinc/65/76/98/459657698.db2.gz WTTZPUKQGOOHMB-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)CC(F)F ZINC000592672954 459661078 /nfs/dbraw/zinc/66/10/78/459661078.db2.gz QTPBFERKAKUBCC-VHSXEESVSA-N 0 0 332.372 3.483 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1C[C@H](O)C12CCC2 ZINC000596513284 459662173 /nfs/dbraw/zinc/66/21/73/459662173.db2.gz UFQHTGHATNQFAI-RYUDHWBXSA-N 0 0 327.178 3.073 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1(c2cccc(F)c2)CCC1 ZINC000592676630 459662286 /nfs/dbraw/zinc/66/22/86/459662286.db2.gz NCXITOXTCTUDRG-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1C[C@@H](O)C12CCC2 ZINC000596512738 459662306 /nfs/dbraw/zinc/66/23/06/459662306.db2.gz SNFGACORJHFOHG-WDEREUQCSA-N 0 0 327.178 3.073 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592697172 459670040 /nfs/dbraw/zinc/67/00/40/459670040.db2.gz QNHXIULWAVVEIH-TXEJJXNPSA-N 0 0 336.388 3.069 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](CC(F)(F)F)C2)c2ccncc21 ZINC000596557314 459676032 /nfs/dbraw/zinc/67/60/32/459676032.db2.gz HCUYFNIUJZZALB-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000584206921 459678827 /nfs/dbraw/zinc/67/88/27/459678827.db2.gz VDOIRPWTVMPHOP-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN CCOC(=O)c1cc(N[C@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596567718 459679344 /nfs/dbraw/zinc/67/93/44/459679344.db2.gz VMVXMUZREPKDSU-PXAZEXFGSA-N 0 0 344.367 3.306 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1C1CCC1 ZINC000592734723 459679598 /nfs/dbraw/zinc/67/95/98/459679598.db2.gz HASHJSIOZQAUHZ-OAHLLOKOSA-N 0 0 328.372 3.266 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000596598084 459691913 /nfs/dbraw/zinc/69/19/13/459691913.db2.gz AFBXOGMKMSTVMQ-UHFFFAOYSA-N 0 0 341.371 3.044 10 5 EGBERN CCOc1cc(N2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000543779065 459700723 /nfs/dbraw/zinc/70/07/23/459700723.db2.gz BNOOHUHTCHKGCT-HNNXBMFYSA-N 0 0 330.388 3.459 10 5 EGBERN CC1(CC(F)F)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000592836146 459701519 /nfs/dbraw/zinc/70/15/19/459701519.db2.gz UCIULWMVOCXTAJ-UHFFFAOYSA-N 0 0 337.326 3.053 10 5 EGBERN Cc1ccc(C(C)(C)c2noc(-c3ccc([N+](=O)[O-])cn3)n2)nc1 ZINC000596620734 459701723 /nfs/dbraw/zinc/70/17/23/459701723.db2.gz RXLBGNRIDBOCOQ-UHFFFAOYSA-N 0 0 325.328 3.069 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000596636450 459707997 /nfs/dbraw/zinc/70/79/97/459707997.db2.gz LBARERSQYPUQAW-MEBBXXQBSA-N 0 0 343.330 3.180 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000573765885 459730508 /nfs/dbraw/zinc/73/05/08/459730508.db2.gz CWTJKVFOPVONGU-GJZGRUSLSA-N 0 0 347.415 3.438 10 5 EGBERN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cscn1 ZINC000596745137 459750066 /nfs/dbraw/zinc/75/00/66/459750066.db2.gz WQSGQIAUULPKLC-LLVKDONJSA-N 0 0 346.412 3.487 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593056006 459758242 /nfs/dbraw/zinc/75/82/42/459758242.db2.gz WZWQIPMDTKFECQ-OAHLLOKOSA-N 0 0 338.379 3.084 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)CO1 ZINC000593091025 459770803 /nfs/dbraw/zinc/77/08/03/459770803.db2.gz DFZHKNAJEAFESV-CYBMUJFWSA-N 0 0 343.383 3.393 10 5 EGBERN Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596823817 459771576 /nfs/dbraw/zinc/77/15/76/459771576.db2.gz NMHHGNGVQQUSAS-ZDUSSCGKSA-N 0 0 333.388 3.469 10 5 EGBERN Cc1cc(NC(=O)N2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000596822518 459771583 /nfs/dbraw/zinc/77/15/83/459771583.db2.gz DJZZOQJAIGUNBD-UHFFFAOYSA-N 0 0 330.344 3.303 10 5 EGBERN COc1ccc(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000596831357 459773833 /nfs/dbraw/zinc/77/38/33/459773833.db2.gz HBCHLNNNUCPGHY-LLVKDONJSA-N 0 0 329.303 3.016 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593140089 459785732 /nfs/dbraw/zinc/78/57/32/459785732.db2.gz WBKOMIHSHRGZOT-OAHLLOKOSA-N 0 0 344.342 3.225 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccccn1 ZINC000596913560 459794269 /nfs/dbraw/zinc/79/42/69/459794269.db2.gz ZHNIUENFIBRYKR-GFCCVEGCSA-N 0 0 328.372 3.477 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596929904 459798648 /nfs/dbraw/zinc/79/86/48/459798648.db2.gz AWBBHUAFYFIMMQ-AWEZNQCLSA-N 0 0 347.415 3.084 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nccn1C ZINC000596930684 459798671 /nfs/dbraw/zinc/79/86/71/459798671.db2.gz DMMDEGWEYMRBML-ZDUSSCGKSA-N 0 0 345.403 3.010 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(C(C)C)n1 ZINC000593232686 459815255 /nfs/dbraw/zinc/81/52/55/459815255.db2.gz PNQHYMTVJQRARM-UHFFFAOYSA-N 0 0 335.389 3.132 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593239134 459816947 /nfs/dbraw/zinc/81/69/47/459816947.db2.gz ATITYJBWQWPSKE-UHFFFAOYSA-N 0 0 346.280 3.030 10 5 EGBERN COc1cc(F)c(OCCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000593241519 459817853 /nfs/dbraw/zinc/81/78/53/459817853.db2.gz OTNWXTARAUTYBF-UHFFFAOYSA-N 0 0 337.303 3.209 10 5 EGBERN CC[C@@H](OCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593248406 459819071 /nfs/dbraw/zinc/81/90/71/459819071.db2.gz BDTTYAHKJISBTE-QGZVFWFLSA-N 0 0 328.368 3.493 10 5 EGBERN C[C@@H](C(=O)N[C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593279982 459828018 /nfs/dbraw/zinc/82/80/18/459828018.db2.gz OTJHEWVDOQXXDY-PXAZEXFGSA-N 0 0 332.400 3.020 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)[C@H]1C ZINC000597090140 459835395 /nfs/dbraw/zinc/83/53/95/459835395.db2.gz HLFIHBAQINKOIN-VGMNWLOBSA-N 0 0 326.784 3.339 10 5 EGBERN CN(CC1CCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091706 459835624 /nfs/dbraw/zinc/83/56/24/459835624.db2.gz CKNVXEGPOJWSNZ-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000593316321 459839070 /nfs/dbraw/zinc/83/90/70/459839070.db2.gz ORNJGHKZMXBYIJ-UHFFFAOYSA-N 0 0 342.351 3.016 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C12CCC2 ZINC000598296649 459852298 /nfs/dbraw/zinc/85/22/98/459852298.db2.gz NMTRBDWWPNITIS-KGLIPLIRSA-N 0 0 347.415 3.033 10 5 EGBERN C[C@H](OCC1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810081 459854364 /nfs/dbraw/zinc/85/43/64/459854364.db2.gz HLLNUUPUEFHOSO-QMMMGPOBSA-N 0 0 343.177 3.111 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000593359803 459862944 /nfs/dbraw/zinc/86/29/44/459862944.db2.gz BHRXVXKBZHKGCN-AWEZNQCLSA-N 0 0 336.388 3.096 10 5 EGBERN CC1(C)[C@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])C1(F)F ZINC000598340429 459872280 /nfs/dbraw/zinc/87/22/80/459872280.db2.gz KONYULOOJDELIX-NSHDSACASA-N 0 0 330.356 3.094 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598345508 459872592 /nfs/dbraw/zinc/87/25/92/459872592.db2.gz DVZZIGMANZDYKZ-HZPDHXFCSA-N 0 0 348.424 3.453 10 5 EGBERN CO[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000598392361 459886600 /nfs/dbraw/zinc/88/66/00/459886600.db2.gz DBWHUBAYRBWNPN-INIZCTEOSA-N 0 0 331.372 3.011 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2ccon2)CC1 ZINC000598400365 459889463 /nfs/dbraw/zinc/88/94/63/459889463.db2.gz MTFXQWHBQXPRFT-UHFFFAOYSA-N 0 0 341.323 3.349 10 5 EGBERN Nc1cc(NCc2csc3ccccc23)cc(CO)c1[N+](=O)[O-] ZINC000587290890 459892238 /nfs/dbraw/zinc/89/22/38/459892238.db2.gz UAAOZYJSENUHCL-UHFFFAOYSA-N 0 0 329.381 3.496 10 5 EGBERN CC(C)(CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1F ZINC000587635197 459893582 /nfs/dbraw/zinc/89/35/82/459893582.db2.gz RNBKUOWIULXPIK-UHFFFAOYSA-N 0 0 333.363 3.198 10 5 EGBERN Cc1noc([C@H]2CCCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000593458421 459895002 /nfs/dbraw/zinc/89/50/02/459895002.db2.gz OXJCKUWIYNJKIK-LBPRGKRZSA-N 0 0 339.355 3.218 10 5 EGBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C(F)(F)F)O1 ZINC000593465421 459897333 /nfs/dbraw/zinc/89/73/33/459897333.db2.gz PAYXYDUPBAXVTP-LKFCYVNXSA-N 0 0 341.289 3.299 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982123 459898065 /nfs/dbraw/zinc/89/80/65/459898065.db2.gz BMGHHYXAPHTTNV-ZIAGYGMSSA-N 0 0 341.411 3.360 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(CC)CC ZINC000587992525 459899167 /nfs/dbraw/zinc/89/91/67/459899167.db2.gz WRRNZKQTHQHKEP-HUUCEWRRSA-N 0 0 337.420 3.065 10 5 EGBERN CC[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1F ZINC000587992075 459899193 /nfs/dbraw/zinc/89/91/93/459899193.db2.gz WFJZNAINKTTXSH-CYBMUJFWSA-N 0 0 349.362 3.078 10 5 EGBERN O=C(NCCCc1ccco1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598439550 459899500 /nfs/dbraw/zinc/89/95/00/459899500.db2.gz NZEYNKKVHYWDGV-UHFFFAOYSA-N 0 0 340.282 3.152 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)c1ccncc1 ZINC000587992930 459900129 /nfs/dbraw/zinc/90/01/29/459900129.db2.gz SZWVNRJFZBIEEQ-LBPRGKRZSA-N 0 0 329.356 3.300 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000593481958 459902434 /nfs/dbraw/zinc/90/24/34/459902434.db2.gz LXGCMKNDHBVDID-KYJSFNMBSA-N 0 0 327.384 3.273 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@]1(CO)CCc2ccccc21 ZINC000593483868 459902516 /nfs/dbraw/zinc/90/25/16/459902516.db2.gz KECGMZZFUTYNDH-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000598465263 459903741 /nfs/dbraw/zinc/90/37/41/459903741.db2.gz KCCDTJNNTBSHPW-UHFFFAOYSA-N 0 0 325.315 3.487 10 5 EGBERN Cc1c(CC(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000546210215 459904056 /nfs/dbraw/zinc/90/40/56/459904056.db2.gz PSRXKKAJZLTFEL-ORAYPTAESA-N 0 0 348.443 3.139 10 5 EGBERN CSCc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588027526 459904040 /nfs/dbraw/zinc/90/40/40/459904040.db2.gz TULLFNMLGBYDAH-UHFFFAOYSA-N 0 0 333.413 3.144 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@H](C2CC2)C2CCOCC2)c1 ZINC000593491362 459905827 /nfs/dbraw/zinc/90/58/27/459905827.db2.gz HDTCMWDQEWTQNH-QGZVFWFLSA-N 0 0 327.384 3.182 10 5 EGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068419 459908502 /nfs/dbraw/zinc/90/85/02/459908502.db2.gz NLHZXGYOGZRQCL-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN Cc1c(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000598496450 459917906 /nfs/dbraw/zinc/91/79/06/459917906.db2.gz JVAUZYZNNJAHRQ-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000597349733 459924453 /nfs/dbraw/zinc/92/44/53/459924453.db2.gz OZUFOWOWVKBQCS-NSHDSACASA-N 0 0 329.356 3.189 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598507761 459926382 /nfs/dbraw/zinc/92/63/82/459926382.db2.gz NXAAWGYDSBOCOY-ZWNOBZJWSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565877 459940024 /nfs/dbraw/zinc/94/00/24/459940024.db2.gz SOUOGHHFQUZCDY-XLKFXECMSA-N 0 0 348.733 3.133 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598570220 459942219 /nfs/dbraw/zinc/94/22/19/459942219.db2.gz GPCQVVQOCQKGRF-CQSZACIVSA-N 0 0 329.381 3.419 10 5 EGBERN CC[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597406355 459942584 /nfs/dbraw/zinc/94/25/84/459942584.db2.gz HYHBPGBJGWVSCV-ZDUSSCGKSA-N 0 0 341.415 3.500 10 5 EGBERN CN(CC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597409834 459943133 /nfs/dbraw/zinc/94/31/33/459943133.db2.gz UABAOVSSONKAET-UHFFFAOYSA-N 0 0 327.388 3.110 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598572152 459943236 /nfs/dbraw/zinc/94/32/36/459943236.db2.gz KNXHLPMGPZLMQD-GOSISDBHSA-N 0 0 337.379 3.286 10 5 EGBERN Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)cs1 ZINC000588334845 459947859 /nfs/dbraw/zinc/94/78/59/459947859.db2.gz FXVKZCBEYVCSFX-UHFFFAOYSA-N 0 0 328.353 3.029 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588382406 459953927 /nfs/dbraw/zinc/95/39/27/459953927.db2.gz CQVJCOBPXWKFQN-GXFFZTMASA-N 0 0 327.331 3.451 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3ccsc3)C2)c1 ZINC000598642739 459975049 /nfs/dbraw/zinc/97/50/49/459975049.db2.gz GIJRYDMPDFVWQP-UHFFFAOYSA-N 0 0 332.381 3.122 10 5 EGBERN CS[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593783059 459983765 /nfs/dbraw/zinc/98/37/65/459983765.db2.gz UOBOVUJIDIVLDB-HUUCEWRRSA-N 0 0 333.413 3.480 10 5 EGBERN CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593790719 459986257 /nfs/dbraw/zinc/98/62/57/459986257.db2.gz JLQZMMQMSZPPFS-YPMHNXCESA-N 0 0 331.372 3.106 10 5 EGBERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609676164 460008013 /nfs/dbraw/zinc/00/80/13/460008013.db2.gz NSXIDMUQRWFZAQ-ZIAGYGMSSA-N 0 0 340.445 3.231 10 5 EGBERN Cc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cs1 ZINC000588961883 460011834 /nfs/dbraw/zinc/01/18/34/460011834.db2.gz UYLOVJQMZJCWQC-UHFFFAOYSA-N 0 0 327.365 3.496 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000618468072 460019566 /nfs/dbraw/zinc/01/95/66/460019566.db2.gz MZEWWBUWAFQNDX-UHFFFAOYSA-N 0 0 330.718 3.428 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693471 460029420 /nfs/dbraw/zinc/02/94/20/460029420.db2.gz DLRHPUZVWVSDPG-GDBMZVCRSA-N 0 0 339.395 3.500 10 5 EGBERN CCOC1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000597723686 460039441 /nfs/dbraw/zinc/03/94/41/460039441.db2.gz MJOZYPBTNTXGSX-HNNXBMFYSA-N 0 0 332.400 3.260 10 5 EGBERN COc1ccc(OC(C)(C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000598802399 460040636 /nfs/dbraw/zinc/04/06/36/460040636.db2.gz DCASNASQLNIWRB-UHFFFAOYSA-N 0 0 344.367 3.424 10 5 EGBERN COC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC(F)(F)CC1 ZINC000598804018 460041427 /nfs/dbraw/zinc/04/14/27/460041427.db2.gz PWFLUUMONUHUSO-UHFFFAOYSA-N 0 0 340.326 3.078 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000598805675 460042890 /nfs/dbraw/zinc/04/28/90/460042890.db2.gz KEANTUBUFQUYJX-CHWSQXEVSA-N 0 0 328.372 3.029 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC1 ZINC000610046681 460054824 /nfs/dbraw/zinc/05/48/24/460054824.db2.gz XDMMNORQHZGGLS-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000598843365 460062985 /nfs/dbraw/zinc/06/29/85/460062985.db2.gz LGAIGNXTJYXQLA-HNNXBMFYSA-N 0 0 348.399 3.464 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610182446 460076908 /nfs/dbraw/zinc/07/69/08/460076908.db2.gz VLGBXCHVDURNSX-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610191183 460077988 /nfs/dbraw/zinc/07/79/88/460077988.db2.gz WQTRSXJCFLDYSD-HKUYNNGSSA-N 0 0 340.379 3.454 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1c1ccco1 ZINC000589372730 460081280 /nfs/dbraw/zinc/08/12/80/460081280.db2.gz APEVYTYHODXHFE-HNNXBMFYSA-N 0 0 345.355 3.356 10 5 EGBERN C[C@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000598880237 460082007 /nfs/dbraw/zinc/08/20/07/460082007.db2.gz HUHCNIZIFQGHLX-CXAGYDPISA-N 0 0 332.400 3.469 10 5 EGBERN CC(C)(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000594063403 460082172 /nfs/dbraw/zinc/08/21/72/460082172.db2.gz SPTLCYQVZFRVPV-UHFFFAOYSA-N 0 0 327.331 3.333 10 5 EGBERN CC(C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(F)F ZINC000594062337 460082762 /nfs/dbraw/zinc/08/27/62/460082762.db2.gz HRTKCDKXXVGPIK-UHFFFAOYSA-N 0 0 325.315 3.169 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594073931 460088887 /nfs/dbraw/zinc/08/88/87/460088887.db2.gz UWBZEFFXAVUADE-IRXDYDNUSA-N 0 0 346.427 3.336 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594078839 460091194 /nfs/dbraw/zinc/09/11/94/460091194.db2.gz MSLROTZMGRIVRN-GFCCVEGCSA-N 0 0 339.392 3.176 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2ccccc2N(C)C(=O)C1 ZINC000598946969 460099471 /nfs/dbraw/zinc/09/94/71/460099471.db2.gz JWKDZODHOBAHEL-CQSZACIVSA-N 0 0 339.395 3.443 10 5 EGBERN COc1c(C)cccc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594108188 460105080 /nfs/dbraw/zinc/10/50/80/460105080.db2.gz XCWWDDANMJBHMX-LBPRGKRZSA-N 0 0 346.358 3.471 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000597918305 460110789 /nfs/dbraw/zinc/11/07/89/460110789.db2.gz FKCHLAFINNCBJD-HNNXBMFYSA-N 0 0 334.416 3.455 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000597918657 460111230 /nfs/dbraw/zinc/11/12/30/460111230.db2.gz GHODSWMCBOIBOK-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1sc(C(=O)N[C@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594159990 460132669 /nfs/dbraw/zinc/13/26/69/460132669.db2.gz NQDHPSZLHHJZPZ-LLVKDONJSA-N 0 0 342.417 3.061 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000599043346 460138103 /nfs/dbraw/zinc/13/81/03/460138103.db2.gz QJNGCSKLZKEAAJ-HNNXBMFYSA-N 0 0 342.395 3.467 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594179281 460138747 /nfs/dbraw/zinc/13/87/47/460138747.db2.gz XDBBWECUMPSALF-KNXALSJPSA-N 0 0 338.379 3.301 10 5 EGBERN CCOC(=O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000594195610 460143381 /nfs/dbraw/zinc/14/33/81/460143381.db2.gz SWEDTSJZUGJYDF-INIZCTEOSA-N 0 0 348.399 3.227 10 5 EGBERN Cc1cccc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594204603 460149008 /nfs/dbraw/zinc/14/90/08/460149008.db2.gz RXKPXKXAEYVQOW-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN COc1cc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594203985 460149682 /nfs/dbraw/zinc/14/96/82/460149682.db2.gz OMCPZOICQCKNPL-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594203306 460149882 /nfs/dbraw/zinc/14/98/82/460149882.db2.gz KSMVYTRPPQUOPX-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594205782 460150638 /nfs/dbraw/zinc/15/06/38/460150638.db2.gz YWZHDMBEIMSKFM-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594206211 460151076 /nfs/dbraw/zinc/15/10/76/460151076.db2.gz KKJMXRWSBDCBNC-CJNGLKHVSA-N 0 0 332.400 3.306 10 5 EGBERN Cc1cc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000594205796 460151171 /nfs/dbraw/zinc/15/11/71/460151171.db2.gz ZFQQPILWGHPWCH-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1cn[nH]c1 ZINC000599108834 460163006 /nfs/dbraw/zinc/16/30/06/460163006.db2.gz XKBZSTFHEUUOEI-LLVKDONJSA-N 0 0 337.177 3.422 10 5 EGBERN CC(C)(CNc1ccc2cnccc2c1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000599110467 460164390 /nfs/dbraw/zinc/16/43/90/460164390.db2.gz SQCOFISPFDGCFI-GOSISDBHSA-N 0 0 345.399 3.123 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1c(C(F)(F)F)cnn1C ZINC000599123187 460167158 /nfs/dbraw/zinc/16/71/58/460167158.db2.gz BCYGBFDTXFSJAU-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000594242861 460168965 /nfs/dbraw/zinc/16/89/65/460168965.db2.gz VZSIFPFUVHGACZ-AWEZNQCLSA-N 0 0 337.420 3.154 10 5 EGBERN O=c1[nH]ccc(N2CCc3c(cccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000599158070 460181253 /nfs/dbraw/zinc/18/12/53/460181253.db2.gz JOZKGVKAIRRPHC-UHFFFAOYSA-N 0 0 339.273 3.277 10 5 EGBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000599163586 460181943 /nfs/dbraw/zinc/18/19/43/460181943.db2.gz DXZJXPHTESZAGL-LBPRGKRZSA-N 0 0 339.355 3.188 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599167569 460184012 /nfs/dbraw/zinc/18/40/12/460184012.db2.gz JKVBJNNNERMZRJ-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN Nc1cc(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc(CO)c1[N+](=O)[O-] ZINC000599167713 460184176 /nfs/dbraw/zinc/18/41/76/460184176.db2.gz XBSWZFGSYQVBEM-UHOFOFEASA-N 0 0 345.786 3.073 10 5 EGBERN CC(C)(CNc1ccnc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599171081 460185668 /nfs/dbraw/zinc/18/56/68/460185668.db2.gz YDZVAOSGGPHROG-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000599181066 460190295 /nfs/dbraw/zinc/19/02/95/460190295.db2.gz PHAYPCYJPQJJPY-GDBMZVCRSA-N 0 0 325.368 3.058 10 5 EGBERN C[C@@H](c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599194043 460194580 /nfs/dbraw/zinc/19/45/80/460194580.db2.gz NZXBUFGONYZRJV-LLVKDONJSA-N 0 0 339.355 3.246 10 5 EGBERN CC(C)Oc1nc(N2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000599192932 460194647 /nfs/dbraw/zinc/19/46/47/460194647.db2.gz TZRDWLLHENXPLQ-AWEZNQCLSA-N 0 0 343.383 3.477 10 5 EGBERN Cc1cc(NCc2ccccc2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000599197531 460197067 /nfs/dbraw/zinc/19/70/67/460197067.db2.gz JVDPHJXEZFLOIS-UHFFFAOYSA-N 0 0 325.290 3.437 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000599199525 460197165 /nfs/dbraw/zinc/19/71/65/460197165.db2.gz IALTUGYKOQXNCY-DLGQBQFBSA-N 0 0 328.372 3.426 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC(F)(F)CC1 ZINC000599205147 460198265 /nfs/dbraw/zinc/19/82/65/460198265.db2.gz IJXXDHULZHIZHX-UHFFFAOYSA-N 0 0 337.330 3.016 10 5 EGBERN CC(C)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594378103 460200580 /nfs/dbraw/zinc/20/05/80/460200580.db2.gz ZPPDSCSBJLTUQH-PBHICJAKSA-N 0 0 346.427 3.168 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC2(CC2(F)F)C1 ZINC000594387037 460201936 /nfs/dbraw/zinc/20/19/36/460201936.db2.gz COHXHLARQIVCND-UHFFFAOYSA-N 0 0 336.216 3.095 10 5 EGBERN Cc1sc(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598202666 460202754 /nfs/dbraw/zinc/20/27/54/460202754.db2.gz TWISCSJHLGBYPL-AULYBMBSSA-N 0 0 332.381 3.305 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000598208244 460204220 /nfs/dbraw/zinc/20/42/20/460204220.db2.gz KXTNOHOHBBPDJV-CWRNSKLLSA-N 0 0 343.427 3.361 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1OC ZINC000598207517 460204340 /nfs/dbraw/zinc/20/43/40/460204340.db2.gz HLAAMJJVOSHJQL-RWMBFGLXSA-N 0 0 348.399 3.168 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cc1[N+](=O)[O-] ZINC000598210883 460205047 /nfs/dbraw/zinc/20/50/47/460205047.db2.gz ZGANEXYEFBTTPU-KBPBESRZSA-N 0 0 346.408 3.267 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@]2(C)CC2(F)F)c1 ZINC000598215913 460207293 /nfs/dbraw/zinc/20/72/93/460207293.db2.gz NGRJJLZUMOLNCU-ZDUSSCGKSA-N 0 0 330.356 3.482 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000610661217 460207351 /nfs/dbraw/zinc/20/73/51/460207351.db2.gz IFLQUKNSBGHSHO-CQSZACIVSA-N 0 0 343.387 3.277 10 5 EGBERN C[C@]1(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000598217968 460208639 /nfs/dbraw/zinc/20/86/39/460208639.db2.gz FGRDNDMINDMARM-HNNXBMFYSA-N 0 0 340.326 3.109 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@]1(C)CC1(F)F ZINC000598219052 460209442 /nfs/dbraw/zinc/20/94/42/460209442.db2.gz KLHCDDOBOAPJOI-AWEZNQCLSA-N 0 0 328.315 3.159 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594419127 460213120 /nfs/dbraw/zinc/21/31/20/460213120.db2.gz VBYSKQKVWBKRCD-ZDUSSCGKSA-N 0 0 343.383 3.298 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598228203 460214129 /nfs/dbraw/zinc/21/41/29/460214129.db2.gz PTDOQDZRQGQSQL-NEPJUHHUSA-N 0 0 326.343 3.436 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](CCF)C1 ZINC000598231459 460215378 /nfs/dbraw/zinc/21/53/78/460215378.db2.gz XXRGSVHMDDOHNI-JTQLQIEISA-N 0 0 346.305 3.408 10 5 EGBERN Cc1cc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000598232375 460215975 /nfs/dbraw/zinc/21/59/75/460215975.db2.gz WXJDXSXZKIJFMH-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610716637 460223544 /nfs/dbraw/zinc/22/35/44/460223544.db2.gz HHJVXSJLMDAARM-HNNXBMFYSA-N 0 0 346.387 3.251 10 5 EGBERN Cc1cccc(N2CC[C@@H](n3cnc4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000614978215 460257099 /nfs/dbraw/zinc/25/70/99/460257099.db2.gz OAVISYFSUCOIDL-CQSZACIVSA-N 0 0 326.400 3.430 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000610979732 460270005 /nfs/dbraw/zinc/27/00/05/460270005.db2.gz MCYSEURWPOSTOL-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]2CCC[C@H]21 ZINC000599650143 460298128 /nfs/dbraw/zinc/29/81/28/460298128.db2.gz CUKYQTGJQOPOEU-UXLLHSPISA-N 0 0 332.400 3.067 10 5 EGBERN COC(=O)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671627 460304069 /nfs/dbraw/zinc/30/40/69/460304069.db2.gz ZSAMNZAEPKYWHQ-UGSOOPFHSA-N 0 0 340.379 3.428 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(CO)CCCC(C)(C)C1 ZINC000599695147 460313947 /nfs/dbraw/zinc/31/39/47/460313947.db2.gz JEOMVAASEDYKNT-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000599738811 460324119 /nfs/dbraw/zinc/32/41/19/460324119.db2.gz CLFWDDIZXIKQQN-WPRPVWTQSA-N 0 0 345.168 3.177 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)c1ccncc1 ZINC000611282227 460328014 /nfs/dbraw/zinc/32/80/14/460328014.db2.gz JCZHJZARZYJGFC-ZDUSSCGKSA-N 0 0 327.384 3.449 10 5 EGBERN O=C([C@@H]1CC12CCN(c1ccsc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611298911 460332433 /nfs/dbraw/zinc/33/24/33/460332433.db2.gz QIXYQFAKLNCJFW-ZDUSSCGKSA-N 0 0 349.456 3.275 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611339186 460339622 /nfs/dbraw/zinc/33/96/22/460339622.db2.gz RABFVTRDWRBULN-NEPJUHHUSA-N 0 0 325.796 3.286 10 5 EGBERN CC[C@H](C)[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829075 460342868 /nfs/dbraw/zinc/34/28/68/460342868.db2.gz CTFKBIMZBJAUMT-APPDUMDISA-N 0 0 346.387 3.062 10 5 EGBERN CC[C@@H](CSC)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832776 460343824 /nfs/dbraw/zinc/34/38/24/460343824.db2.gz JMQHEIWGFLGOAP-JTQLQIEISA-N 0 0 334.401 3.406 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835370 460345339 /nfs/dbraw/zinc/34/53/39/460345339.db2.gz VAGMWNDKPRGBHD-IAQYHMDHSA-N 0 0 346.387 3.062 10 5 EGBERN CO[C@@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599840904 460347023 /nfs/dbraw/zinc/34/70/23/460347023.db2.gz VEZIJCCLWYHQNC-QFYYESIMSA-N 0 0 344.371 3.078 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC([C@H]3CCOC3)C2)nc1-c1ccc(F)cc1 ZINC000619527734 460375049 /nfs/dbraw/zinc/37/50/49/460375049.db2.gz ARHSOSBEVLAAPM-ZDUSSCGKSA-N 0 0 343.358 3.269 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611549369 460395802 /nfs/dbraw/zinc/39/58/02/460395802.db2.gz RAJPIGYDBLVZOD-PSASIEDQSA-N 0 0 331.294 3.101 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000600168122 460417306 /nfs/dbraw/zinc/41/73/06/460417306.db2.gz INISZYGPPARJDS-KFWWJZLASA-N 0 0 332.400 3.225 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(C3CCOCC3)C2)cc1C(F)(F)F ZINC000619699324 460418777 /nfs/dbraw/zinc/41/87/77/460418777.db2.gz BQFULPYEESBOII-UHFFFAOYSA-N 0 0 330.306 3.476 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600172230 460419561 /nfs/dbraw/zinc/41/95/61/460419561.db2.gz WUHSTLZCDDXADM-SNVBAGLBSA-N 0 0 346.305 3.160 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C2CCOCC2)C1 ZINC000619730615 460424814 /nfs/dbraw/zinc/42/48/14/460424814.db2.gz WOGDNZQHIHLIMP-OAHLLOKOSA-N 0 0 346.427 3.049 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC4(C3)CCCO4)cs2)c1 ZINC000600189857 460429369 /nfs/dbraw/zinc/42/93/69/460429369.db2.gz LXCMXRVEPGBMMZ-UHFFFAOYSA-N 0 0 331.397 3.083 10 5 EGBERN CC[C@@H](C)c1cccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000600198412 460435364 /nfs/dbraw/zinc/43/53/64/460435364.db2.gz YYHYVRLNQNUGMI-LLVKDONJSA-N 0 0 328.372 3.219 10 5 EGBERN COC[C@]1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212541 460443997 /nfs/dbraw/zinc/44/39/97/460443997.db2.gz FVUWGFHCMZSEOP-SFHVURJKSA-N 0 0 346.383 3.092 10 5 EGBERN Cn1c(C(=O)NC(C)(C)c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000600225891 460448935 /nfs/dbraw/zinc/44/89/35/460448935.db2.gz DSHHCZDHFIWBKM-UHFFFAOYSA-N 0 0 344.396 3.208 10 5 EGBERN CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1 ZINC000600271090 460462557 /nfs/dbraw/zinc/46/25/57/460462557.db2.gz HIRNVMOONIIDFU-CABCVRRESA-N 0 0 334.441 3.369 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2OC)n1 ZINC000600367311 460484514 /nfs/dbraw/zinc/48/45/14/460484514.db2.gz RINXTHBJPGFFLO-UHFFFAOYSA-N 0 0 338.751 3.034 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600393378 460488986 /nfs/dbraw/zinc/48/89/86/460488986.db2.gz MNOIGVNPFOBNEF-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000616174606 460490134 /nfs/dbraw/zinc/49/01/34/460490134.db2.gz GTBABHSKGFLGBQ-NSHDSACASA-N 0 0 348.790 3.300 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000600410770 460491308 /nfs/dbraw/zinc/49/13/08/460491308.db2.gz LLNVGXVREBAKBY-CQSZACIVSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(=O)C1(C)CCCC1 ZINC000600486704 460505155 /nfs/dbraw/zinc/50/51/55/460505155.db2.gz QNXCHZKRXSZTAE-UHFFFAOYSA-N 0 0 332.400 3.399 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000600522461 460511823 /nfs/dbraw/zinc/51/18/23/460511823.db2.gz PRPGNTMJVKXTJR-BXUZGUMPSA-N 0 0 336.413 3.004 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)C12CC(c3ccccc3)(C1)C2 ZINC000616263864 460512849 /nfs/dbraw/zinc/51/28/49/460512849.db2.gz WWVVRIOYDLGXMH-UHFFFAOYSA-N 0 0 336.391 3.375 10 5 EGBERN COc1ccc(NC(=O)CSC[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000600581580 460533052 /nfs/dbraw/zinc/53/30/52/460533052.db2.gz UFZMEIWQCFLKMT-ZSBIGDGJSA-N 0 0 336.413 3.321 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601173250 460740421 /nfs/dbraw/zinc/74/04/21/460740421.db2.gz UDWAJHNHWLFDJQ-RKDXNWHRSA-N 0 0 336.314 3.107 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)OCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000601281017 460774234 /nfs/dbraw/zinc/77/42/34/460774234.db2.gz KLUOSCLKRNGOQA-GUYCJALGSA-N 0 0 343.383 3.162 10 5 EGBERN Cc1cc(Cc2noc(C3(C(F)(F)F)CC3)n2)ccc1[N+](=O)[O-] ZINC000612958085 460783728 /nfs/dbraw/zinc/78/37/28/460783728.db2.gz YVKLCPBJAFLDFX-UHFFFAOYSA-N 0 0 327.262 3.471 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601320710 460787710 /nfs/dbraw/zinc/78/77/10/460787710.db2.gz JCIYYHZCACEOKG-BBWFWOEESA-N 0 0 344.411 3.090 10 5 EGBERN Cc1ccc(-c2noc(-c3cn4c(n3)C[C@H](C)CC4)n2)cc1[N+](=O)[O-] ZINC000601356902 460794271 /nfs/dbraw/zinc/79/42/71/460794271.db2.gz HOOXVSNXTOKZMG-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601428845 460809053 /nfs/dbraw/zinc/80/90/53/460809053.db2.gz GOSGCJNQDSJMGQ-UHFFFAOYSA-N 0 0 346.362 3.418 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3ncccc23)n1 ZINC000617366734 460833636 /nfs/dbraw/zinc/83/36/36/460833636.db2.gz VGPVFQFICUZPJQ-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000601617037 460848206 /nfs/dbraw/zinc/84/82/06/460848206.db2.gz KDCFLSGZCQPCIA-GFCCVEGCSA-N 0 0 329.331 3.067 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000601655281 460857932 /nfs/dbraw/zinc/85/79/32/460857932.db2.gz IKIXRWSQFUOEAO-OAHLLOKOSA-N 0 0 341.367 3.018 10 5 EGBERN CCCC(C)(C)CC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000601741567 460887138 /nfs/dbraw/zinc/88/71/38/460887138.db2.gz XGRBGNHSBDTVEY-UHFFFAOYSA-N 0 0 336.388 3.119 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CCF)CC2)c1 ZINC000601747979 460889177 /nfs/dbraw/zinc/88/91/77/460889177.db2.gz VNCWVCTZPYHEPJ-UHFFFAOYSA-N 0 0 338.379 3.270 10 5 EGBERN CCC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601778631 460896425 /nfs/dbraw/zinc/89/64/25/460896425.db2.gz OLGTWVDFUSKXCX-MZMPZRCHSA-N 0 0 334.416 3.135 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601884467 460935805 /nfs/dbraw/zinc/93/58/05/460935805.db2.gz MNFGBIXVFPMRJJ-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000601887634 460936722 /nfs/dbraw/zinc/93/67/22/460936722.db2.gz SMXPWHBKDZSHEB-DOTOQJQBSA-N 0 0 344.367 3.419 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC000601886258 460936729 /nfs/dbraw/zinc/93/67/29/460936729.db2.gz TWQCIYZFCKXEOA-UHFFFAOYSA-N 0 0 344.371 3.242 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]1C(F)F ZINC000633229311 461014379 /nfs/dbraw/zinc/01/43/79/461014379.db2.gz AAGIEAJHOCUCIN-MRXNPFEDSA-N 0 0 342.345 3.021 10 5 EGBERN Cc1c(CC(=O)N[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000178554145 533839299 /nfs/dbraw/zinc/83/92/99/533839299.db2.gz ZOMNNDFYDBRYBP-HNNXBMFYSA-N 0 0 326.352 3.086 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cn1 ZINC000182165879 534358925 /nfs/dbraw/zinc/35/89/25/534358925.db2.gz KPLNVEAUOMXCTH-UHFFFAOYSA-N 0 0 348.790 3.152 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000187011830 534565304 /nfs/dbraw/zinc/56/53/04/534565304.db2.gz FWYKSGYASJGVJZ-ZDUSSCGKSA-N 0 0 347.396 3.102 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1ccnc1C ZINC000183400664 527525775 /nfs/dbraw/zinc/52/57/75/527525775.db2.gz HFJZCNGGUCHHLS-BUHFOSPRSA-N 0 0 342.399 3.052 10 5 EGBERN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000192781259 527734835 /nfs/dbraw/zinc/73/48/35/527734835.db2.gz GIVSSUGCYDRFJS-AWEZNQCLSA-N 0 0 334.397 3.472 10 5 EGBERN CCOc1cccc(N[C@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-] ZINC000184103120 528674952 /nfs/dbraw/zinc/67/49/52/528674952.db2.gz NDACPRQWKZSXLC-LBPRGKRZSA-N 0 0 345.403 3.135 10 5 EGBERN CCn1c(C)cc(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000007035363 535966736 /nfs/dbraw/zinc/96/67/36/535966736.db2.gz HYANELUXAPDPDV-UHFFFAOYSA-N 0 0 332.356 3.303 10 5 EGBERN Cc1cc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000079504393 546592058 /nfs/dbraw/zinc/59/20/58/546592058.db2.gz LGNDXSKFBQJLTE-UHFFFAOYSA-N 0 0 343.261 3.182 10 5 EGBERN CCOC(=O)C(F)(F)c1cc([N+](=O)[O-])c(Br)s1 ZINC000675080600 564113888 /nfs/dbraw/zinc/11/38/88/564113888.db2.gz SSEHZWGBAGAGEN-UHFFFAOYSA-N 0 0 330.106 3.074 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000727745820 574688295 /nfs/dbraw/zinc/68/82/95/574688295.db2.gz RINNBXZKVAYVBF-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN C[C@@H](OC(=O)[C@H]1CCCN1c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000728167779 574724805 /nfs/dbraw/zinc/72/48/05/574724805.db2.gz UFINSNKUGLLFID-BXUZGUMPSA-N 0 0 347.396 3.325 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NC1CCC(C)CC1 ZINC000728201205 574729131 /nfs/dbraw/zinc/72/91/31/574729131.db2.gz GOKZXFBRNPGMMR-OWYJLGKBSA-N 0 0 331.416 3.041 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOCC1CC1 ZINC000751224688 574755511 /nfs/dbraw/zinc/75/55/11/574755511.db2.gz CUOHXDZUWGLHBZ-UHFFFAOYSA-N 0 0 326.780 3.023 10 5 EGBERN CCC/C(C)=C\C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000729194163 574822505 /nfs/dbraw/zinc/82/25/05/574822505.db2.gz VGOMPIHNBYACMU-OWBHPGMISA-N 0 0 347.415 3.496 10 5 EGBERN C[C@@H](OC(=O)/C=C/C(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000732405432 575267514 /nfs/dbraw/zinc/26/75/14/575267514.db2.gz HSCBDKJCERKVHJ-QROSGCPLSA-N 0 0 338.335 3.206 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000734893831 575572195 /nfs/dbraw/zinc/57/21/95/575572195.db2.gz QCTUTRUINXVUOE-NSHDSACASA-N 0 0 337.763 3.366 10 5 EGBERN CCC/C=C\C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000735212063 575622817 /nfs/dbraw/zinc/62/28/17/575622817.db2.gz WSPRNXKHGJYHCE-DAXSKMNVSA-N 0 0 333.388 3.106 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000735669549 575696831 /nfs/dbraw/zinc/69/68/31/575696831.db2.gz SAVOOGVOPKUISO-GFCCVEGCSA-N 0 0 328.155 3.442 10 5 EGBERN CC[C@@H](C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000756424209 576121807 /nfs/dbraw/zinc/12/18/07/576121807.db2.gz MWGBPWOJAJAECJ-MRVPVSSYSA-N 0 0 333.262 3.386 10 5 EGBERN CC[C@H](C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000756424245 576121854 /nfs/dbraw/zinc/12/18/54/576121854.db2.gz MWGBPWOJAJAECJ-QMMMGPOBSA-N 0 0 333.262 3.386 10 5 EGBERN O=C(OCc1ccccc1[N+](=O)[O-])c1cnc(-c2ccncc2)s1 ZINC000741746123 576716094 /nfs/dbraw/zinc/71/60/94/576716094.db2.gz RMZWDJXEYAVFNH-UHFFFAOYSA-N 0 0 341.348 3.470 10 5 EGBERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])s1 ZINC000741830082 576725904 /nfs/dbraw/zinc/72/59/04/576725904.db2.gz LVCYDIBDMLQRLD-UHFFFAOYSA-N 0 0 347.327 3.338 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000742015573 576742374 /nfs/dbraw/zinc/74/23/74/576742374.db2.gz IGXPEYZAAPJKET-JTQLQIEISA-N 0 0 347.327 3.156 10 5 EGBERN Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000742336305 576770145 /nfs/dbraw/zinc/77/01/45/576770145.db2.gz FITNCFJHGYTFIN-UHFFFAOYSA-N 0 0 333.774 3.386 10 5 EGBERN C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000742833820 576796168 /nfs/dbraw/zinc/79/61/68/576796168.db2.gz HGYZEZMRJDYSGJ-IUCKJTJTSA-N 0 0 347.415 3.369 10 5 EGBERN C[C@@H](NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000096879141 1292955411 /nfs/dbraw/zinc/95/54/11/1292955411.db2.gz FBYGJKJZUPDOJJ-UMCURTJPSA-N 0 0 346.364 3.276 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000134131496 1293763606 /nfs/dbraw/zinc/76/36/06/1293763606.db2.gz WSCLRHYCSFWJBJ-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000154849561 1294073068 /nfs/dbraw/zinc/07/30/68/1294073068.db2.gz GQDRRECAGDRRGE-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@@H](C(F)F)C1 ZINC000194114845 1295946516 /nfs/dbraw/zinc/94/65/16/1295946516.db2.gz JDVGWBPLZQMYRS-MRXNPFEDSA-N 0 0 342.345 3.494 10 5 EGBERN CCOC1CCC(OC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870804433 1296089798 /nfs/dbraw/zinc/08/97/98/1296089798.db2.gz WTLGXJWBPMPDBW-UHFFFAOYSA-N 0 0 349.383 3.449 10 5 EGBERN C[C@@H]1[C@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1c1ccccc1 ZINC000870828329 1296106668 /nfs/dbraw/zinc/10/66/68/1296106668.db2.gz OMCKWMAZWZFSPM-OIJKBMDDSA-N 0 0 341.367 3.088 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1(c2ccccc2)CCC1 ZINC000870829792 1296107883 /nfs/dbraw/zinc/10/78/83/1296107883.db2.gz QSQSLTMHZJCMTA-UHFFFAOYSA-N 0 0 341.367 3.160 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000871026156 1296183834 /nfs/dbraw/zinc/18/38/34/1296183834.db2.gz JMQKLCKOGKLZDF-AWEZNQCLSA-N 0 0 349.456 3.211 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871123154 1296234817 /nfs/dbraw/zinc/23/48/17/1296234817.db2.gz NIARLWVQMRUSOX-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NOCCCC(F)(F)F ZINC000871215247 1296278682 /nfs/dbraw/zinc/27/86/82/1296278682.db2.gz UXFPSBIWXNKBRQ-MDZDMXLPSA-N 0 0 332.278 3.388 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871283448 1296316683 /nfs/dbraw/zinc/31/66/83/1296316683.db2.gz FPMZCJGQEOHOFG-ABAIWWIYSA-N 0 0 338.791 3.183 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871296622 1296327217 /nfs/dbraw/zinc/32/72/17/1296327217.db2.gz CFKYEEQTIGEWCR-RHSMWYFYSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H](OC2CCC2)CC1 ZINC000871326944 1296349991 /nfs/dbraw/zinc/34/99/91/1296349991.db2.gz SGDLFQRKOFDOJF-AWEZNQCLSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871372894 1296376447 /nfs/dbraw/zinc/37/64/47/1296376447.db2.gz XYILGBFDTSYNMZ-KRWDZBQOSA-N 0 0 329.331 3.091 10 5 EGBERN Cn1c(C(=O)N2CCC[C@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000871374723 1296380294 /nfs/dbraw/zinc/38/02/94/1296380294.db2.gz NRLOTLSYXUDKJX-QGZVFWFLSA-N 0 0 331.347 3.034 10 5 EGBERN CC(C)(C)O[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000253421677 1296467579 /nfs/dbraw/zinc/46/75/79/1296467579.db2.gz ARXIKSGBAFIFNK-JTQLQIEISA-N 0 0 344.209 3.146 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NCc1cn(C)nc1Br ZINC000871835635 1296557221 /nfs/dbraw/zinc/55/72/21/1296557221.db2.gz MYQORERTXZAFHE-UHFFFAOYSA-N 0 0 343.156 3.150 10 5 EGBERN CCNC(=O)c1cccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872028585 1296677137 /nfs/dbraw/zinc/67/71/37/1296677137.db2.gz QOQUSEPRLRBMKX-LBPRGKRZSA-N 0 0 345.374 3.334 10 5 EGBERN C[C@H](NCCOCC(F)(F)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872066232 1296712344 /nfs/dbraw/zinc/71/23/44/1296712344.db2.gz LCHDIRPJDKBWNI-QMMMGPOBSA-N 0 0 342.264 3.302 10 5 EGBERN C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067797 1296715442 /nfs/dbraw/zinc/71/54/42/1296715442.db2.gz CKVLGDPTABGNIP-GHMZBOCLSA-N 0 0 341.383 3.298 10 5 EGBERN C[C@H](NCCn1ccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872110596 1296736955 /nfs/dbraw/zinc/73/69/55/1296736955.db2.gz ZXYUFRMOCYWEBK-VIFPVBQESA-N 0 0 346.284 3.300 10 5 EGBERN Cc1cc(C)c2c(c1)CCN(c1nc3sccn3c1[N+](=O)[O-])C2 ZINC000302479670 1296801570 /nfs/dbraw/zinc/80/15/70/1296801570.db2.gz XJDYFTYKBRVIBR-UHFFFAOYSA-N 0 0 328.397 3.484 10 5 EGBERN COc1cc(C(=O)N2CCCCc3cccnc32)c([N+](=O)[O-])cc1F ZINC000872293444 1296900569 /nfs/dbraw/zinc/90/05/69/1296900569.db2.gz VJXXNHGAKVAQGS-UHFFFAOYSA-N 0 0 345.330 3.121 10 5 EGBERN COc1ccc(C(=O)O[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000873571697 1297595281 /nfs/dbraw/zinc/59/52/81/1297595281.db2.gz GBZVIBRZIBVEIW-IUODEOHRSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)OC(=O)NCCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000694708362 1298156714 /nfs/dbraw/zinc/15/67/14/1298156714.db2.gz DILGXGNRZKMCLQ-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN Cc1n[nH]c(CNc2cccc(Br)c2[N+](=O)[O-])c1C ZINC000716496990 1298300078 /nfs/dbraw/zinc/30/00/78/1298300078.db2.gz CFUVWFIRJDLLRA-UHFFFAOYSA-N 0 0 325.166 3.309 10 5 EGBERN Cc1ccc(NCc2cn(C)nc2[N+](=O)[O-])c(Br)c1 ZINC000876872231 1299044354 /nfs/dbraw/zinc/04/43/54/1299044354.db2.gz VVZGZDFKMMJWQE-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN Cc1c(Br)c(=O)n([C@@H](C)C(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000865364431 1329688933 /nfs/dbraw/zinc/68/89/33/1329688933.db2.gz NMIVULUOBSOPDR-QMMMGPOBSA-N 0 0 345.193 3.004 10 5 EGBERN CC[C@@H]1CCC[C@]1(C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000879799279 1300741721 /nfs/dbraw/zinc/74/17/21/1300741721.db2.gz LLZWGLBDUPVMEN-DYVFJYSZSA-N 0 0 334.420 3.171 10 5 EGBERN C[C@@H]1COCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C(C)(C)C)C1 ZINC000880709224 1301234253 /nfs/dbraw/zinc/23/42/53/1301234253.db2.gz KNMASVHLPLUGEE-LBPRGKRZSA-N 0 0 335.404 3.393 10 5 EGBERN CC(=O)c1c(NC[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000882007679 1301782338 /nfs/dbraw/zinc/78/23/38/1301782338.db2.gz LVEJTIDRWXHEAN-HNNXBMFYSA-N 0 0 328.368 3.376 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000882086210 1301821802 /nfs/dbraw/zinc/82/18/02/1301821802.db2.gz DJDUDWLSFWFHGE-MLGOLLRUSA-N 0 0 328.372 3.081 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC000882163805 1301854618 /nfs/dbraw/zinc/85/46/18/1301854618.db2.gz DYAJBNGCBCURLC-INIZCTEOSA-N 0 0 340.379 3.245 10 5 EGBERN O=C(NC1CCC2(COC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000882756328 1302091910 /nfs/dbraw/zinc/09/19/10/1302091910.db2.gz XOIRNHWAADSUQL-UHFFFAOYSA-N 0 0 330.340 3.030 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000884700049 1302956334 /nfs/dbraw/zinc/95/63/34/1302956334.db2.gz LVYAXXLORUGFOA-MTKHPJAWSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@]12C[C@H]1CCC2 ZINC000885995518 1303312903 /nfs/dbraw/zinc/31/29/03/1303312903.db2.gz SEVUKPYYJCROBR-BMIGLBTASA-N 0 0 326.755 3.236 10 5 EGBERN CC(=O)N1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3F)cs2)C1 ZINC000887280786 1303730625 /nfs/dbraw/zinc/73/06/25/1303730625.db2.gz IKAKRIDGUNCMKR-SNVBAGLBSA-N 0 0 335.360 3.193 10 5 EGBERN C/C(=C/C(=O)N1CC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000888017052 1304014412 /nfs/dbraw/zinc/01/44/12/1304014412.db2.gz FKPHZYUDYSBRHO-VPUINMBXSA-N 0 0 328.290 3.409 10 5 EGBERN CC1(C)CO[C@H](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000889470364 1304491400 /nfs/dbraw/zinc/49/14/00/1304491400.db2.gz OQUBUULITVNWLS-GFCCVEGCSA-N 0 0 326.780 3.070 10 5 EGBERN CC(C)(C(=O)OCCc1ccns1)c1ccc([N+](=O)[O-])cc1F ZINC000893372393 1305854456 /nfs/dbraw/zinc/85/44/56/1305854456.db2.gz WHLCEXPGGXHZEP-UHFFFAOYSA-N 0 0 338.360 3.254 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000893523866 1305949372 /nfs/dbraw/zinc/94/93/72/1305949372.db2.gz MSVXULRFMGRMGN-YGRLFVJLSA-N 0 0 333.319 3.031 10 5 EGBERN CC(C)=C(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893619280 1305989993 /nfs/dbraw/zinc/98/99/93/1305989993.db2.gz QRHPJEIGWZPDKE-UHFFFAOYSA-N 0 0 327.178 3.330 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Cn3nccc32)cc1Cl ZINC000893882404 1306111548 /nfs/dbraw/zinc/11/15/48/1306111548.db2.gz SRGQJLSKDGXFGQ-VIFPVBQESA-N 0 0 334.763 3.050 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccns1 ZINC000894086789 1306210442 /nfs/dbraw/zinc/21/04/42/1306210442.db2.gz MWUHEVFNNJBWIB-JTQLQIEISA-N 0 0 337.426 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccc(C)cc1)C1CCC1 ZINC000894229635 1306291241 /nfs/dbraw/zinc/29/12/41/1306291241.db2.gz VUHOENQNHWSNOH-UHFFFAOYSA-N 0 0 342.399 3.384 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894387264 1306370901 /nfs/dbraw/zinc/37/09/01/1306370901.db2.gz VVFYCLVGAGCNDL-FZMZJTMJSA-N 0 0 328.290 3.399 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894706458 1309029965 /nfs/dbraw/zinc/02/99/65/1309029965.db2.gz XFCVXVDNWLWAMR-SOLBZPMBSA-N 0 0 346.427 3.191 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000895360063 1309299116 /nfs/dbraw/zinc/29/91/16/1309299116.db2.gz LYUDTVITDDPHRO-UHFFFAOYSA-N 0 0 339.189 3.420 10 5 EGBERN COc1cc(CN2CC[C@H]2C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000895437982 1309336386 /nfs/dbraw/zinc/33/63/86/1309336386.db2.gz XHUUCQLXSYJOGB-QMMMGPOBSA-N 0 0 338.257 3.044 10 5 EGBERN CC(=O)c1ccc(N2CCn3nc(C(C)(C)C)cc3C2)c([N+](=O)[O-])c1 ZINC000896226124 1309754535 /nfs/dbraw/zinc/75/45/35/1309754535.db2.gz BDMVAAIGJUKGCT-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CC1(Cl)Cl ZINC000913386928 1319020908 /nfs/dbraw/zinc/02/09/08/1319020908.db2.gz KSGNQGMWUGSMMY-LURJTMIESA-N 0 0 341.553 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c1C ZINC000899194971 1310973983 /nfs/dbraw/zinc/97/39/83/1310973983.db2.gz MUVMEVJSMJOVMH-JOCQHMNTSA-N 0 0 348.399 3.062 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c(C3CCC3)cnn1C)CC2 ZINC000857603009 1328561152 /nfs/dbraw/zinc/56/11/52/1328561152.db2.gz QUGDLBBYLRMJPO-UHFFFAOYSA-N 0 0 340.383 3.107 10 5 EGBERN CC[C@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000857640070 1328572398 /nfs/dbraw/zinc/57/23/98/1328572398.db2.gz BMRHSVNSCPUGAZ-ZDUSSCGKSA-N 0 0 349.299 3.207 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857686328 1328584253 /nfs/dbraw/zinc/58/42/53/1328584253.db2.gz WEZWQDSDNYICCS-VIFPVBQESA-N 0 0 347.198 3.307 10 5 EGBERN Nc1ccc(C(=O)N[C@@H](C(F)F)C2CCCCC2)cc1[N+](=O)[O-] ZINC000857741728 1328593868 /nfs/dbraw/zinc/59/38/68/1328593868.db2.gz MGHSAWPLOLEKHP-CYBMUJFWSA-N 0 0 327.331 3.121 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000857968564 1328643253 /nfs/dbraw/zinc/64/32/53/1328643253.db2.gz NBHSUGHRQWDWAX-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(F)c1 ZINC000858011677 1328657241 /nfs/dbraw/zinc/65/72/41/1328657241.db2.gz XOHITXQVCFVMFL-CQSZACIVSA-N 0 0 344.346 3.059 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000899461401 1317046075 /nfs/dbraw/zinc/04/60/75/1317046075.db2.gz QDTPOPZTSCPVSU-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN Cn1nccc1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160468 1328801178 /nfs/dbraw/zinc/80/11/78/1328801178.db2.gz PVQKYJINGPBIRT-CQSZACIVSA-N 0 0 349.778 3.351 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1(c2cccnc2)CC1 ZINC000913384645 1319018981 /nfs/dbraw/zinc/01/89/81/1319018981.db2.gz AAVFXRRUUNEVBJ-UHFFFAOYSA-N 0 0 349.749 3.130 10 5 EGBERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384679 1319019150 /nfs/dbraw/zinc/01/91/50/1319019150.db2.gz BFDDNWNPKXOZTR-WCBMZHEXSA-N 0 0 342.754 3.009 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000913385582 1319020704 /nfs/dbraw/zinc/02/07/04/1319020704.db2.gz DNTAVTQRUAOIMQ-AXFHLTTASA-N 0 0 326.755 3.440 10 5 EGBERN CCC(C)(C)OCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386395 1319021460 /nfs/dbraw/zinc/02/14/60/1319021460.db2.gz SVVIXPPIVFFMBA-UHFFFAOYSA-N 0 0 332.759 3.209 10 5 EGBERN O=C(COC1CCCCC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386015 1319021478 /nfs/dbraw/zinc/02/14/78/1319021478.db2.gz HBVNKIIFGVFSJY-UHFFFAOYSA-N 0 0 344.770 3.353 10 5 EGBERN CC(C)c1ccc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000913587385 1319064426 /nfs/dbraw/zinc/06/44/26/1319064426.db2.gz PSAVCMFBRRITFQ-NSHDSACASA-N 0 0 328.372 3.201 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000914361784 1319308602 /nfs/dbraw/zinc/30/86/02/1319308602.db2.gz SWMCRUVJAFIPHK-GFCCVEGCSA-N 0 0 336.388 3.312 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000858692829 1328832243 /nfs/dbraw/zinc/83/22/43/1328832243.db2.gz WXLIDWUINVLJLJ-JTQLQIEISA-N 0 0 341.161 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(O)(C2CCC2)CC1 ZINC000930316275 1328832289 /nfs/dbraw/zinc/83/22/89/1328832289.db2.gz NIKPSGAXERJLEF-UHFFFAOYSA-N 0 0 347.415 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000930316052 1328832395 /nfs/dbraw/zinc/83/23/95/1328832395.db2.gz MBFYHZOZEMOUAT-SUMWQHHRSA-N 0 0 345.399 3.292 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000858690626 1328832672 /nfs/dbraw/zinc/83/26/72/1328832672.db2.gz ATUNXCHXOXWQKH-VIFPVBQESA-N 0 0 341.161 3.031 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)OCCSc1ccc(F)cc1 ZINC000916601895 1319683063 /nfs/dbraw/zinc/68/30/63/1319683063.db2.gz DNKYVSWAOMGYBY-UHFFFAOYSA-N 0 0 336.344 3.265 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000858735679 1328846499 /nfs/dbraw/zinc/84/64/99/1328846499.db2.gz IDMJJEJOKIXNTO-SNVBAGLBSA-N 0 0 340.763 3.321 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858737811 1328846641 /nfs/dbraw/zinc/84/66/41/1328846641.db2.gz FARCTPNHQBCXET-CYBMUJFWSA-N 0 0 327.340 3.207 10 5 EGBERN CC(C)c1nsc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000917419192 1319804873 /nfs/dbraw/zinc/80/48/73/1319804873.db2.gz KSYHTOWTHAUKKM-UHFFFAOYSA-N 0 0 329.385 3.482 10 5 EGBERN O=[N+]([O-])c1cc(CSc2nnc3[nH]c4ccccc4n32)cs1 ZINC000917416621 1319805691 /nfs/dbraw/zinc/80/56/91/1319805691.db2.gz ZFXZNYBDFCLPBP-UHFFFAOYSA-N 0 0 331.382 3.473 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2CC[C@H](C3CC3)O2)c(F)c1F ZINC000917929313 1319889531 /nfs/dbraw/zinc/88/95/31/1319889531.db2.gz QRXBXIJCECSXFI-JGVFFNPUSA-N 0 0 335.253 3.488 10 5 EGBERN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccns1 ZINC000858830132 1328870203 /nfs/dbraw/zinc/87/02/03/1328870203.db2.gz QIZFZHLGUNBPAB-VIFPVBQESA-N 0 0 332.385 3.117 10 5 EGBERN Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000858845187 1328873664 /nfs/dbraw/zinc/87/36/64/1328873664.db2.gz FABPOMMKOLCTLK-NEPJUHHUSA-N 0 0 336.392 3.108 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000859298205 1328964015 /nfs/dbraw/zinc/96/40/15/1328964015.db2.gz XVLANZQKYLUJTL-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000930768110 1328964013 /nfs/dbraw/zinc/96/40/13/1328964013.db2.gz JLHHGSSNZOTXLO-VXGBXAGGSA-N 0 0 347.293 3.255 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(F)(F)F ZINC000859378018 1328978041 /nfs/dbraw/zinc/97/80/41/1328978041.db2.gz KWNZDSFXGBEBDG-ZDUSSCGKSA-N 0 0 342.273 3.055 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000859432165 1328985791 /nfs/dbraw/zinc/98/57/91/1328985791.db2.gz OQQFRNQAQBIUTA-DLGQBQFBSA-N 0 0 342.392 3.101 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCSC(C)(C)C1 ZINC000930882315 1328995472 /nfs/dbraw/zinc/99/54/72/1328995472.db2.gz FVIUYQDWRXYBEC-JTQLQIEISA-N 0 0 339.417 3.399 10 5 EGBERN CC(=O)Nc1c(C)cccc1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918927613 1322013301 /nfs/dbraw/zinc/01/33/01/1322013301.db2.gz JGRVRRBFVHYLDO-UHFFFAOYSA-N 0 0 334.353 3.280 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC(CC2CCOCC2)C1 ZINC000919765137 1322104221 /nfs/dbraw/zinc/10/42/21/1322104221.db2.gz ZZHFJXXPEFDGCX-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000920597868 1322196748 /nfs/dbraw/zinc/19/67/48/1322196748.db2.gz BFUVMUOJDJTELW-AWEZNQCLSA-N 0 0 349.431 3.030 10 5 EGBERN CCOC(=O)c1cccc(OC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000920838795 1322227197 /nfs/dbraw/zinc/22/71/97/1322227197.db2.gz RDYLOHMIYTVQPK-UHFFFAOYSA-N 0 0 329.308 3.299 10 5 EGBERN C[NH+](C)[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000920959711 1322239499 /nfs/dbraw/zinc/23/94/99/1322239499.db2.gz HQHSJNCTIMKLKN-DDJMYBDESA-N 0 0 345.355 3.000 10 5 EGBERN O=C(OC[C@H]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000921277554 1322285578 /nfs/dbraw/zinc/28/55/78/1322285578.db2.gz SKMYDBXEGAXUQC-ZDUSSCGKSA-N 0 0 327.340 3.294 10 5 EGBERN C[C@H](c1ccccn1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930958999 1329016023 /nfs/dbraw/zinc/01/60/23/1329016023.db2.gz RFYZKAQTERRYEK-GFCCVEGCSA-N 0 0 331.347 3.281 10 5 EGBERN C[C@H]1c2sccc2CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000921510659 1322334581 /nfs/dbraw/zinc/33/45/81/1322334581.db2.gz NNASIQOHQFJFPL-JTQLQIEISA-N 0 0 334.372 3.484 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922403848 1322520995 /nfs/dbraw/zinc/52/09/95/1322520995.db2.gz VGRVBGVLIMFXFB-ZYHUDNBSSA-N 0 0 333.262 3.170 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923112501 1322694870 /nfs/dbraw/zinc/69/48/70/1322694870.db2.gz OTPUAYSNMKTPQG-DQYPLSBCSA-N 0 0 347.415 3.303 10 5 EGBERN O=C(COC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923417429 1322747578 /nfs/dbraw/zinc/74/75/78/1322747578.db2.gz XEHCYVFRZKXXCQ-CQSZACIVSA-N 0 0 347.367 3.060 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC[C@@H]1CCCC1=O ZINC000923594229 1322779751 /nfs/dbraw/zinc/77/97/51/1322779751.db2.gz HVVRHUCAPJRJRI-LBPRGKRZSA-N 0 0 339.775 3.483 10 5 EGBERN CCO[C@H](COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000859666042 1329049274 /nfs/dbraw/zinc/04/92/74/1329049274.db2.gz YQCOZDBCQQRCSF-CQSZACIVSA-N 0 0 327.764 3.149 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000923909711 1322844407 /nfs/dbraw/zinc/84/44/07/1322844407.db2.gz KOEGYAYFJLJSNF-PVUWLOKVSA-N 0 0 347.415 3.018 10 5 EGBERN Cc1c(Cc2noc(C[C@@H]3CC[C@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000923950868 1322853174 /nfs/dbraw/zinc/85/31/74/1322853174.db2.gz NOMVQBYYTAZDSY-GOEBONIOSA-N 0 0 343.383 3.377 10 5 EGBERN Cc1nnc([C@H](C)OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000923961950 1322856575 /nfs/dbraw/zinc/85/65/75/1322856575.db2.gz LIBPUYJXWBVZTE-QMMMGPOBSA-N 0 0 339.348 3.131 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1ccc2c(c1)COC2 ZINC000923964313 1322857429 /nfs/dbraw/zinc/85/74/29/1322857429.db2.gz RVSUTNVSABLFLY-UHFFFAOYSA-N 0 0 345.326 3.440 10 5 EGBERN C[C@@H](c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000924174435 1322923821 /nfs/dbraw/zinc/92/38/21/1322923821.db2.gz UCUQEJHMMIYBAE-QMTHXVAHSA-N 0 0 335.335 3.185 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931139259 1329058444 /nfs/dbraw/zinc/05/84/44/1329058444.db2.gz BHOOHBMYAXJZAA-DLBZAZTESA-N 0 0 338.363 3.296 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000924302989 1322968883 /nfs/dbraw/zinc/96/88/83/1322968883.db2.gz PBKQBXLOABHEKH-LQDVMPOASA-N 0 0 349.456 3.410 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2ncccn2)C1 ZINC000924343070 1322989381 /nfs/dbraw/zinc/98/93/81/1322989381.db2.gz ZNYXGPAPRWCHIQ-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924840188 1323183674 /nfs/dbraw/zinc/18/36/74/1323183674.db2.gz BIKOUANSYQRVLA-CYBMUJFWSA-N 0 0 331.372 3.248 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000931227164 1329075646 /nfs/dbraw/zinc/07/56/46/1329075646.db2.gz YNKWHFYOIVFUGT-HNNXBMFYSA-N 0 0 346.362 3.143 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000924956309 1323227015 /nfs/dbraw/zinc/22/70/15/1323227015.db2.gz YPEKLECUYDFEGB-ZDUSSCGKSA-N 0 0 344.415 3.451 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000860071282 1329140469 /nfs/dbraw/zinc/14/04/69/1329140469.db2.gz KAZLQBLFBKSVIW-CYBMUJFWSA-N 0 0 337.372 3.240 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860070959 1329140607 /nfs/dbraw/zinc/14/06/07/1329140607.db2.gz XNLWMHBOLKDZAK-LLVKDONJSA-N 0 0 325.336 3.371 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931669347 1329161046 /nfs/dbraw/zinc/16/10/46/1329161046.db2.gz ALNQTCHOOWWYHU-LLVKDONJSA-N 0 0 346.362 3.473 10 5 EGBERN C[C@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860179197 1329167927 /nfs/dbraw/zinc/16/79/27/1329167927.db2.gz HVXRHHKGHBKCTI-NWDGAFQWSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235509 1325090336 /nfs/dbraw/zinc/09/03/36/1325090336.db2.gz LSJUHGYBVZPBLP-WQVCFCJDSA-N 0 0 349.431 3.094 10 5 EGBERN C[C@H](CC(=O)OCCC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000860917882 1329369880 /nfs/dbraw/zinc/36/98/80/1329369880.db2.gz VRVNVQLIPIGLIC-SNVBAGLBSA-N 0 0 330.178 3.153 10 5 EGBERN C[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCO1 ZINC000927199922 1327916518 /nfs/dbraw/zinc/91/65/18/1327916518.db2.gz YBDVNWAUXFFYSS-GOSISDBHSA-N 0 0 347.415 3.228 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927294704 1327960276 /nfs/dbraw/zinc/96/02/76/1327960276.db2.gz PCLKHAPULXEKIU-SNVBAGLBSA-N 0 0 338.282 3.163 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927292478 1327960626 /nfs/dbraw/zinc/96/06/26/1327960626.db2.gz GSHPYIZYAUDPLB-CYBMUJFWSA-N 0 0 346.280 3.030 10 5 EGBERN COc1cccc(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000927307933 1327966305 /nfs/dbraw/zinc/96/63/05/1327966305.db2.gz RPMDUGPXFSTPCE-IFXJQAMLSA-N 0 0 338.363 3.017 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927402783 1328009132 /nfs/dbraw/zinc/00/91/32/1328009132.db2.gz VNFVQODRKJWCLB-QXMXGUDHSA-N 0 0 349.456 3.065 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928132877 1328208520 /nfs/dbraw/zinc/20/85/20/1328208520.db2.gz HZHUZLAOJNKSSZ-JTQLQIEISA-N 0 0 334.319 3.023 10 5 EGBERN CC(C)(C(=O)NCc1cc(C(F)F)on1)c1ccccc1[N+](=O)[O-] ZINC000928147264 1328215783 /nfs/dbraw/zinc/21/57/83/1328215783.db2.gz CYJDSTWZIVRWJO-UHFFFAOYSA-N 0 0 339.298 3.114 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000928211370 1328238063 /nfs/dbraw/zinc/23/80/63/1328238063.db2.gz GMNPXTVALPIOAU-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccs2)C1 ZINC000928275322 1328271414 /nfs/dbraw/zinc/27/14/14/1328271414.db2.gz QYXLBUCEZKVRFY-NSHDSACASA-N 0 0 349.387 3.285 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861432061 1329417624 /nfs/dbraw/zinc/41/76/24/1329417624.db2.gz SBCMYBQBTKELLJ-SFHVURJKSA-N 0 0 328.368 3.389 10 5 EGBERN O=C(/C=C\[C@@H]1CCCO1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446184 1329418923 /nfs/dbraw/zinc/41/89/23/1329418923.db2.gz SMTXQROECKDUDF-RSDJLKMVSA-N 0 0 345.273 3.477 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000861750837 1329439234 /nfs/dbraw/zinc/43/92/34/1329439234.db2.gz VOZGTXXLRHFQPV-UHFFFAOYSA-N 0 0 330.344 3.002 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC(F)(F)C(F)(F)C1 ZINC000861949164 1329452642 /nfs/dbraw/zinc/45/26/42/1329452642.db2.gz WQIFHOQMUFHSOI-UHFFFAOYSA-N 0 0 342.248 3.474 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862999553 1329521823 /nfs/dbraw/zinc/52/18/23/1329521823.db2.gz MHBASOCPQIMZTH-KVFJLYFUSA-N 0 0 328.368 3.290 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCC(=O)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000863062293 1329527077 /nfs/dbraw/zinc/52/70/77/1329527077.db2.gz OCFOILIEZVQIJY-UHFFFAOYSA-N 0 0 338.791 3.436 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863240828 1329537984 /nfs/dbraw/zinc/53/79/84/1329537984.db2.gz MSXNQOGWAIIRKU-JLJPHGGASA-N 0 0 337.379 3.053 10 5 EGBERN C/C=C\C[C@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000863340511 1329548385 /nfs/dbraw/zinc/54/83/85/1329548385.db2.gz KVQGAIMKVAIZPJ-QUCGXOGASA-N 0 0 343.225 3.190 10 5 EGBERN CCO[C@@H](COc1cc(Br)cc([N+](=O)[O-])c1N)C1CC1 ZINC000863473659 1329556610 /nfs/dbraw/zinc/55/66/10/1329556610.db2.gz VAZAFAGRVDNHRP-LBPRGKRZSA-N 0 0 345.193 3.133 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000863641092 1329569858 /nfs/dbraw/zinc/56/98/58/1329569858.db2.gz XIHLIKZRMRWCIQ-UHFFFAOYSA-N 0 0 333.344 3.218 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[S@](=O)C2CCC2)o1 ZINC000864477394 1329616899 /nfs/dbraw/zinc/61/68/99/1329616899.db2.gz GQGJRJQVGLNJAJ-QFIPXVFZSA-N 0 0 341.776 3.099 10 5 EGBERN Cc1noc(C)c1CN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864830450 1329645417 /nfs/dbraw/zinc/64/54/17/1329645417.db2.gz GDLQTBHCVLTFEQ-UHFFFAOYSA-N 0 0 343.383 3.280 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865002402 1329660522 /nfs/dbraw/zinc/66/05/22/1329660522.db2.gz XYRJWWRKQMVOKF-VIFPVBQESA-N 0 0 341.205 3.062 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865260415 1329680879 /nfs/dbraw/zinc/68/08/79/1329680879.db2.gz OJCHUFVKLDEAGK-DOMZBBRYSA-N 0 0 335.429 3.086 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865358881 1329688819 /nfs/dbraw/zinc/68/88/19/1329688819.db2.gz QCFAQAYQCPXPFI-GFCCVEGCSA-N 0 0 327.764 3.213 10 5 EGBERN CCn1cnc2c1nc(Cl)nc2NCc1cccc([N+](=O)[O-])c1C ZINC000865722099 1329732679 /nfs/dbraw/zinc/73/26/79/1329732679.db2.gz OTGNCZPRXVNYQL-UHFFFAOYSA-N 0 0 346.778 3.328 10 5 EGBERN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000865872235 1329747690 /nfs/dbraw/zinc/74/76/90/1329747690.db2.gz JMBOXZOIBYNGDE-YPMHNXCESA-N 0 0 335.429 3.357 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(F)F)[C@]1(O)CCOC1 ZINC000865900018 1329750439 /nfs/dbraw/zinc/75/04/39/1329750439.db2.gz DGLQJBCKCXHUMX-HNNXBMFYSA-N 0 0 330.331 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C(F)F)c1 ZINC000865971155 1329755663 /nfs/dbraw/zinc/75/56/63/1329755663.db2.gz ISGKGJZWXTZKAB-AUWXTCHYSA-N 0 0 330.356 3.022 10 5 EGBERN COc1cccc(NCc2ccc(C3(C)OCCO3)cc2)c1[N+](=O)[O-] ZINC000866007833 1329758658 /nfs/dbraw/zinc/75/86/58/1329758658.db2.gz WIHLBTBPWKYICG-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN COc1cc(N2CCC[C@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866053910 1330060185 /nfs/dbraw/zinc/06/01/85/1330060185.db2.gz VHHZQRPHTJOUKZ-FUHWJXTLSA-N 0 0 328.368 3.306 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C(F)F)CC2)c(OC(F)F)c1 ZINC000866064533 1330061398 /nfs/dbraw/zinc/06/13/98/1330061398.db2.gz SPYAACCXVGKQEN-SNVBAGLBSA-N 0 0 338.257 3.057 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866083156 1330063717 /nfs/dbraw/zinc/06/37/17/1330063717.db2.gz LLZPEJGLQNIFOR-KOLCDFICSA-N 0 0 327.768 3.279 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC[C@H]2CCCS2)c([N+](=O)[O-])c1 ZINC000866093689 1330064857 /nfs/dbraw/zinc/06/48/57/1330064857.db2.gz JGSUPRXTRSFWND-CYBMUJFWSA-N 0 0 335.429 3.185 10 5 EGBERN Nc1cc(N2CCC[C@](F)(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000866148924 1330070827 /nfs/dbraw/zinc/07/08/27/1330070827.db2.gz AOHHBDMDYURDQV-GOSISDBHSA-N 0 0 345.374 3.135 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC23CCOCC3)c1 ZINC000866175955 1330073702 /nfs/dbraw/zinc/07/37/02/1330073702.db2.gz YCUCIZLTOVSKDK-ZDUSSCGKSA-N 0 0 334.372 3.000 10 5 EGBERN Cc1ccc(CNc2ccc3nnc([C@@H]4C[C@@H]4C)n3n2)cc1[N+](=O)[O-] ZINC000866181797 1330074548 /nfs/dbraw/zinc/07/45/48/1330074548.db2.gz MVAGNPUSDBBQKW-WCQYABFASA-N 0 0 338.371 3.076 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCCSCCC(F)(F)F ZINC000866183068 1330074793 /nfs/dbraw/zinc/07/47/93/1330074793.db2.gz MSRJMJPOBYDLOP-UHFFFAOYSA-N 0 0 329.731 3.163 10 5 EGBERN CCOC(=O)c1ccnc(NCC(C)(C)C(C)(F)F)c1[N+](=O)[O-] ZINC000866186199 1330075322 /nfs/dbraw/zinc/07/53/22/1330075322.db2.gz VQCCZWYQOUKSJJ-UHFFFAOYSA-N 0 0 331.319 3.260 10 5 EGBERN CC1(C)C[C@H](O)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000866230267 1330081006 /nfs/dbraw/zinc/08/10/06/1330081006.db2.gz ZVXURZXTNAUEQB-ZDUSSCGKSA-N 0 0 333.413 3.316 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000866233041 1330081703 /nfs/dbraw/zinc/08/17/03/1330081703.db2.gz QQMDNNPZQCRFLG-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN COc1ccc([C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCO2)cc1 ZINC000866233158 1330081823 /nfs/dbraw/zinc/08/18/23/1330081823.db2.gz DEHIKDLSQCIHON-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1c(Cc2noc([C@]34CCC[C@H]3OCC4)n2)cccc1[N+](=O)[O-] ZINC000866941226 1330159767 /nfs/dbraw/zinc/15/97/67/1330159767.db2.gz DYMDYKGCZJOWEM-PBHICJAKSA-N 0 0 329.356 3.088 10 5 EGBERN Cc1cnc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868343895 1330272409 /nfs/dbraw/zinc/27/24/09/1330272409.db2.gz SXGRHZVMYJZIMX-NSHDSACASA-N 0 0 334.401 3.229 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000869052805 1330403675 /nfs/dbraw/zinc/40/36/75/1330403675.db2.gz FDALDAQNWVUAGJ-INIZCTEOSA-N 0 0 347.415 3.004 10 5 EGBERN CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869053743 1330403893 /nfs/dbraw/zinc/40/38/93/1330403893.db2.gz SEUZATLUOPWRMG-UONOGXRCSA-N 0 0 337.445 3.377 10 5 EGBERN CSC[C@@H]1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000869056161 1330404392 /nfs/dbraw/zinc/40/43/92/1330404392.db2.gz YDIYORKJRZFTKC-CQSZACIVSA-N 0 0 337.445 3.188 10 5 EGBERN Cc1ccc(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)N2)cc1[N+](=O)[O-] ZINC000869520885 1330516192 /nfs/dbraw/zinc/51/61/92/1330516192.db2.gz QQHWELIDQSGOIK-YPMHNXCESA-N 0 0 346.305 3.019 10 5 EGBERN O=C(OCCC[C@@H]1CCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810157 1330568629 /nfs/dbraw/zinc/56/86/29/1330568629.db2.gz FATGKPZGKHMYMX-CQSZACIVSA-N 0 0 333.384 3.376 10 5 EGBERN Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001323507502 1387378980 /nfs/dbraw/zinc/37/89/80/1387378980.db2.gz SVQNQIUQRIYVLG-UHFFFAOYSA-N 0 0 349.774 3.090 10 5 EGBERN CN(C[C@H]1COc2ccccc2O1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001184516372 1387481514 /nfs/dbraw/zinc/48/15/14/1387481514.db2.gz SOIQSKYPMNTHRU-NSHDSACASA-N 0 0 336.294 3.149 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCCOCC(C)C)c([N+](=O)[O-])c1 ZINC001184658927 1387505601 /nfs/dbraw/zinc/50/56/01/1387505601.db2.gz SIABRMWDQWSQAK-VURMDHGXSA-N 0 0 336.388 3.256 10 5 EGBERN COc1cc(-c2nnc(Cc3ccsc3)o2)c([N+](=O)[O-])cc1OC ZINC001324134623 1387546953 /nfs/dbraw/zinc/54/69/53/1387546953.db2.gz MVJIJHUEHYERNJ-UHFFFAOYSA-N 0 0 347.352 3.314 10 5 EGBERN COc1cc(Nc2ccc(N(C)C(C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC001185136897 1387625220 /nfs/dbraw/zinc/62/52/20/1387625220.db2.gz KXSXJSMZUIXOAN-UHFFFAOYSA-N 0 0 345.355 3.338 10 5 EGBERN Cc1nc(N[C@H](c2nccs2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001185305986 1387676436 /nfs/dbraw/zinc/67/64/36/1387676436.db2.gz LTHVLHSMPWVHKA-ZDUSSCGKSA-N 0 0 327.369 3.351 10 5 EGBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)c1ccccc1F ZINC001324641633 1387714642 /nfs/dbraw/zinc/71/46/42/1387714642.db2.gz HUPYOXMEVODXDE-UHFFFAOYSA-N 0 0 336.269 3.368 10 5 EGBERN CSc1cccc(C(=O)Nc2cc(C3CC3)nn2C)c1[N+](=O)[O-] ZINC001324770119 1387765344 /nfs/dbraw/zinc/76/53/44/1387765344.db2.gz CUHASAMYTKCTIT-UHFFFAOYSA-N 0 0 332.385 3.180 10 5 EGBERN CCCC1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001185766166 1387793165 /nfs/dbraw/zinc/79/31/65/1387793165.db2.gz HLQKANWLHWSKFT-UHFFFAOYSA-N 0 0 330.344 3.465 10 5 EGBERN Cc1nc(N2CCc3cc(Br)ccc32)ncc1[N+](=O)[O-] ZINC001185857853 1387817683 /nfs/dbraw/zinc/81/76/83/1387817683.db2.gz URBPTTGXUZRPHI-UHFFFAOYSA-N 0 0 335.161 3.150 10 5 EGBERN C[Si](C)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001186174294 1387889438 /nfs/dbraw/zinc/88/94/38/1387889438.db2.gz CBEYOSHGKOFOJS-UHFFFAOYSA-N 0 0 331.404 3.070 10 5 EGBERN CC[C@](NCc1ccc(C)c([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC001194263070 1368218802 /nfs/dbraw/zinc/21/88/02/1368218802.db2.gz SYFUNMNIEPRKQQ-LJQANCHMSA-N 0 0 342.395 3.471 10 5 EGBERN C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001195113669 1368381142 /nfs/dbraw/zinc/38/11/42/1368381142.db2.gz OKQVXEQPYYZJLL-OAHLLOKOSA-N 0 0 341.411 3.007 10 5 EGBERN CN(Cc1ccn(C)n1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198622704 1369075372 /nfs/dbraw/zinc/07/53/72/1369075372.db2.gz NCLBMLNOZUWFEK-UHFFFAOYSA-N 0 0 329.187 3.267 10 5 EGBERN CCOC(=O)Cc1cccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001198632454 1369077267 /nfs/dbraw/zinc/07/72/67/1369077267.db2.gz DGXBPKHNNSAKED-UHFFFAOYSA-N 0 0 346.358 3.476 10 5 EGBERN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(F)(F)F)C1 ZINC001198836286 1369126388 /nfs/dbraw/zinc/12/63/88/1369126388.db2.gz CKRSGFBYFGCWLV-HONMWMINSA-N 0 0 332.322 3.291 10 5 EGBERN Cc1ccc(Br)c(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001186720945 1388000408 /nfs/dbraw/zinc/00/04/08/1388000408.db2.gz QREPEEHYHYUJQS-UHFFFAOYSA-N 0 0 338.161 3.378 10 5 EGBERN Cc1ccc(Br)c(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001186720648 1388000542 /nfs/dbraw/zinc/00/05/42/1388000542.db2.gz KSTMRCCLJGRKBH-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN COC(=O)CCCN(C)c1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187025855 1388042289 /nfs/dbraw/zinc/04/22/89/1388042289.db2.gz UEOGNFHBULAKKA-UHFFFAOYSA-N 0 0 334.294 3.311 10 5 EGBERN CN1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC001187325722 1388094241 /nfs/dbraw/zinc/09/42/41/1388094241.db2.gz HTQLBYHUJIXEAO-ZDUSSCGKSA-N 0 0 335.367 3.011 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOCc1ccccc1 ZINC001115934418 1370807798 /nfs/dbraw/zinc/80/77/98/1370807798.db2.gz WZJQDRHPNBRLNP-UHFFFAOYSA-N 0 0 328.368 3.240 10 5 EGBERN CC[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1c(C)noc1C ZINC001116155110 1370848451 /nfs/dbraw/zinc/84/84/51/1370848451.db2.gz SBVSHBCLPKGYMN-HNNXBMFYSA-N 0 0 329.356 3.236 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@H]3CCC[C@@H](C)C3)C2)n1 ZINC001187393035 1388102652 /nfs/dbraw/zinc/10/26/52/1388102652.db2.gz VHNMZXBQJQWCIN-NEPJUHHUSA-N 0 0 333.388 3.039 10 5 EGBERN CC(C)Oc1cc(Cl)ccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001187488166 1388116320 /nfs/dbraw/zinc/11/63/20/1388116320.db2.gz JHOCHNXGMSXERC-UHFFFAOYSA-N 0 0 337.767 3.020 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC001118455418 1371183951 /nfs/dbraw/zinc/18/39/51/1371183951.db2.gz UXJUKIJHNIYILQ-LLVKDONJSA-N 0 0 333.262 3.338 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001119280374 1371295850 /nfs/dbraw/zinc/29/58/50/1371295850.db2.gz GRQHFHXZSGXFEI-LSDHHAIUSA-N 0 0 349.406 3.208 10 5 EGBERN CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001187586193 1388127683 /nfs/dbraw/zinc/12/76/83/1388127683.db2.gz KBRCZCBVNPIJPE-CYBMUJFWSA-N 0 0 335.404 3.431 10 5 EGBERN Cc1ccc(F)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1F ZINC001119772526 1371402932 /nfs/dbraw/zinc/40/29/32/1371402932.db2.gz BHHOSLFIVCZBMC-UHFFFAOYSA-N 0 0 336.342 3.215 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001119818678 1371408156 /nfs/dbraw/zinc/40/81/56/1371408156.db2.gz YAXZCGAVEHQVRO-INIZCTEOSA-N 0 0 348.378 3.142 10 5 EGBERN O=c1[nH]c2ccccc2cc1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001187920100 1388190110 /nfs/dbraw/zinc/19/01/10/1388190110.db2.gz CLIWAKVCNQTWRV-UHFFFAOYSA-N 0 0 340.295 3.369 10 5 EGBERN O=C(OCc1ccn(C(F)F)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001123037757 1372367437 /nfs/dbraw/zinc/36/74/37/1372367437.db2.gz DJBXDKFVQQVTMM-QWHCGFSZSA-N 0 0 337.282 3.033 10 5 EGBERN CCC(CC)(COC(=O)Cn1c(C)ncc1[N+](=O)[O-])C(F)(F)F ZINC001123161784 1372390132 /nfs/dbraw/zinc/39/01/32/1372390132.db2.gz VMECNKZAIROYQV-UHFFFAOYSA-N 0 0 337.298 3.012 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2cccs2)n1 ZINC001123254698 1372407922 /nfs/dbraw/zinc/40/79/22/1372407922.db2.gz FNEZJRKMCDPBQD-JTQLQIEISA-N 0 0 326.399 3.013 10 5 EGBERN CC[C@@](C)(O)CCOC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001123378868 1372447852 /nfs/dbraw/zinc/44/78/52/1372447852.db2.gz NVCYIAOHQXHFRR-OAHLLOKOSA-N 0 0 343.401 3.033 10 5 EGBERN CC12CC(C1)CN2c1nnc(-c2ccc([N+](=O)[O-])s2)n1CC1CC1 ZINC001123518038 1372494346 /nfs/dbraw/zinc/49/43/46/1372494346.db2.gz XJLLHQWCPINSMC-UHFFFAOYSA-N 0 0 345.428 3.314 10 5 EGBERN C[C@H](CNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1[N+](=O)[O-] ZINC001124055339 1372666815 /nfs/dbraw/zinc/66/68/15/1372666815.db2.gz WDBXSZGKMOACSR-VPZZIHKRSA-N 0 0 344.411 3.210 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2cccc(Br)c2)n1 ZINC001124313897 1372690738 /nfs/dbraw/zinc/69/07/38/1372690738.db2.gz FFFIDXDIAZCTOS-UHFFFAOYSA-N 0 0 337.129 3.280 10 5 EGBERN COc1ccc2onc(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 ZINC001124332284 1372692922 /nfs/dbraw/zinc/69/29/22/1372692922.db2.gz WROZTXPXSCTARB-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001124396020 1372698309 /nfs/dbraw/zinc/69/83/09/1372698309.db2.gz DLFKLIKFDXEMLS-UHFFFAOYSA-N 0 0 344.302 3.288 10 5 EGBERN Cc1ccc(OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc1C ZINC001124433616 1372701601 /nfs/dbraw/zinc/70/16/01/1372701601.db2.gz ZVRNMGCUVHUDJB-UHFFFAOYSA-N 0 0 338.323 3.012 10 5 EGBERN COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC001124715777 1372724196 /nfs/dbraw/zinc/72/41/96/1372724196.db2.gz RBVHLSIRVXPYAC-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124878274 1372737308 /nfs/dbraw/zinc/73/73/08/1372737308.db2.gz UTLQLEZEDLTYTM-STQMWFEESA-N 0 0 342.399 3.335 10 5 EGBERN Cc1c(OC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001125296012 1372767681 /nfs/dbraw/zinc/76/76/81/1372767681.db2.gz CFSIXAKYJMUPCO-CQSZACIVSA-N 0 0 337.372 3.423 10 5 EGBERN Cc1ccc(OC[C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001125512873 1372798547 /nfs/dbraw/zinc/79/85/47/1372798547.db2.gz SVUFVBKUKQFZJL-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN O=C(Nc1ccc(-c2ncon2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001125716578 1372840502 /nfs/dbraw/zinc/84/05/02/1372840502.db2.gz YDNLKRONVPZXCJ-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN CC[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001126031088 1372916083 /nfs/dbraw/zinc/91/60/83/1372916083.db2.gz XOQQYDXXOSJYLU-CYBMUJFWSA-N 0 0 348.399 3.408 10 5 EGBERN C[S@@](=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC001126072490 1372926599 /nfs/dbraw/zinc/92/65/99/1372926599.db2.gz ITXGQMJFKKBCAC-VMPBMTGNSA-N 0 0 344.392 3.074 10 5 EGBERN CCOc1cccc(/C=C\C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001126173039 1372945695 /nfs/dbraw/zinc/94/56/95/1372945695.db2.gz RUYRGFCPXNBHDB-KTKRTIGZSA-N 0 0 326.352 3.323 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC001126368182 1372961409 /nfs/dbraw/zinc/96/14/09/1372961409.db2.gz OJISGPNOLHEKNP-LXTVHRRPSA-N 0 0 331.416 3.114 10 5 EGBERN Cc1c(F)cccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001126441891 1372965974 /nfs/dbraw/zinc/96/59/74/1372965974.db2.gz CDYXAODFRJGFCN-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN COc1cccc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001126808888 1373030876 /nfs/dbraw/zinc/03/08/76/1373030876.db2.gz LBXHMIXUWYSBCR-UHFFFAOYSA-N 0 0 342.351 3.164 10 5 EGBERN COc1cccc(OC)c1COC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001126948628 1373056436 /nfs/dbraw/zinc/05/64/36/1373056436.db2.gz STYFKPVRXOBCIZ-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC001127128526 1373093061 /nfs/dbraw/zinc/09/30/61/1373093061.db2.gz YDYBKOAMGYYTRY-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC[C@@H](NC(=O)c1ncnc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC001127282433 1373111963 /nfs/dbraw/zinc/11/19/63/1373111963.db2.gz CEAKTORNROXTHE-CYBMUJFWSA-N 0 0 342.380 3.481 10 5 EGBERN CCc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1CC ZINC001127315818 1373114789 /nfs/dbraw/zinc/11/47/89/1373114789.db2.gz FGSAOWPMDVOERA-UHFFFAOYSA-N 0 0 342.399 3.178 10 5 EGBERN CC(C)CSCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001127725616 1373168524 /nfs/dbraw/zinc/16/85/24/1373168524.db2.gz YLNCPIHCKDNQEP-UHFFFAOYSA-N 0 0 347.440 3.449 10 5 EGBERN C[C@H]1CC[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC001127864680 1373191711 /nfs/dbraw/zinc/19/17/11/1373191711.db2.gz DRNWNRCVXOMOBQ-NWDGAFQWSA-N 0 0 329.356 3.429 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001127909889 1373198621 /nfs/dbraw/zinc/19/86/21/1373198621.db2.gz HMYRZDDKLQWUQJ-OAHLLOKOSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)OCO2 ZINC001127988121 1373206558 /nfs/dbraw/zinc/20/65/58/1373206558.db2.gz LVRZSYQUCVPJLU-UHFFFAOYSA-N 0 0 332.287 3.332 10 5 EGBERN O=C(Nc1cccc2c1OCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001128006267 1373207611 /nfs/dbraw/zinc/20/76/11/1373207611.db2.gz KEINEPOYQPHHRP-CHWSQXEVSA-N 0 0 326.308 3.066 10 5 EGBERN O=C(Nc1cccc2c1OCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001128006268 1373207645 /nfs/dbraw/zinc/20/76/45/1373207645.db2.gz KEINEPOYQPHHRP-OLZOCXBDSA-N 0 0 326.308 3.066 10 5 EGBERN CCn1ncc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1C1CC1 ZINC001128079588 1373215423 /nfs/dbraw/zinc/21/54/23/1373215423.db2.gz LVAVJZSOHLCVHV-UHFFFAOYSA-N 0 0 344.371 3.057 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001128126252 1373220880 /nfs/dbraw/zinc/22/08/80/1373220880.db2.gz MRHYEXBQKPGZSG-JKSUJKDBSA-N 0 0 339.395 3.439 10 5 EGBERN CCCN(C(=O)c1cn2nccc2nc1C)c1cccc([N+](=O)[O-])c1 ZINC001128451271 1373269820 /nfs/dbraw/zinc/26/98/20/1373269820.db2.gz WPFQBDOVHYDWJZ-UHFFFAOYSA-N 0 0 339.355 3.003 10 5 EGBERN CC(C)Cc1ncc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001128649051 1373300906 /nfs/dbraw/zinc/30/09/06/1373300906.db2.gz BQOPCJKRTLYUFN-UHFFFAOYSA-N 0 0 346.362 3.294 10 5 EGBERN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128984506 1373331221 /nfs/dbraw/zinc/33/12/21/1373331221.db2.gz JFVBUFKTVQLMQT-MRVPVSSYSA-N 0 0 340.792 3.101 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001129002402 1373333897 /nfs/dbraw/zinc/33/38/97/1373333897.db2.gz CHYFHCSQOYAKCQ-AHIWAGSCSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC001129039911 1373339369 /nfs/dbraw/zinc/33/93/69/1373339369.db2.gz UPLPTTVIHZHKSX-UHFFFAOYSA-N 0 0 341.776 3.421 10 5 EGBERN COc1nccc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC001129056212 1373340527 /nfs/dbraw/zinc/34/05/27/1373340527.db2.gz XZQGEHWGOKOQAV-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(c2nc3ccccc3o2)C2CC2)n1 ZINC001129108162 1373346940 /nfs/dbraw/zinc/34/69/40/1373346940.db2.gz LPFQIJYXSSIIPS-UHFFFAOYSA-N 0 0 338.323 3.249 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2CO1 ZINC001129450914 1373384616 /nfs/dbraw/zinc/38/46/16/1373384616.db2.gz GHXIDPNXGFILFO-UHFFFAOYSA-N 0 0 330.365 3.404 10 5 EGBERN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001129498144 1373391118 /nfs/dbraw/zinc/39/11/18/1373391118.db2.gz GJHAWAAHZSCLST-PIGZYNQJSA-N 0 0 334.372 3.065 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001129651948 1373408206 /nfs/dbraw/zinc/40/82/06/1373408206.db2.gz KYQKZVTYLNYFFU-LBPRGKRZSA-N 0 0 342.351 3.053 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC2(C3CCC3)CCC2)cc([N+](=O)[O-])c1 ZINC001129697287 1373413523 /nfs/dbraw/zinc/41/35/23/1373413523.db2.gz CKGVHPFSEITUGN-UHFFFAOYSA-N 0 0 346.383 3.224 10 5 EGBERN CN1Cc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC001129800746 1373425209 /nfs/dbraw/zinc/42/52/09/1373425209.db2.gz HVFRNAHNNNMVEW-UHFFFAOYSA-N 0 0 345.742 3.086 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(F)c1 ZINC001129849032 1373429593 /nfs/dbraw/zinc/42/95/93/1373429593.db2.gz NSTPLGWTFKFNMU-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CSc1cc(F)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001130087787 1373454840 /nfs/dbraw/zinc/45/48/40/1373454840.db2.gz FAHBGYGGFLUNIF-UHFFFAOYSA-N 0 0 336.344 3.473 10 5 EGBERN O=C(NC[C@H]1CSc2ccccc2O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001130167824 1373468583 /nfs/dbraw/zinc/46/85/83/1373468583.db2.gz HYKXOAUYCDROCN-ZDUSSCGKSA-N 0 0 348.355 3.017 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130538045 1373557040 /nfs/dbraw/zinc/55/70/40/1373557040.db2.gz ZHTSCDHFKUHICX-WCFLWFBJSA-N 0 0 325.368 3.249 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001130563100 1373560266 /nfs/dbraw/zinc/56/02/66/1373560266.db2.gz IPCFKSDNILNNRW-UHFFFAOYSA-N 0 0 333.197 3.301 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001130603321 1373568475 /nfs/dbraw/zinc/56/84/75/1373568475.db2.gz WIPPPNVVGOTBRN-NORZTCDRSA-N 0 0 345.399 3.029 10 5 EGBERN CCCCCCO[C@H](C)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130849752 1373598143 /nfs/dbraw/zinc/59/81/43/1373598143.db2.gz JGSLHQPJMHIUSY-LLVKDONJSA-N 0 0 340.332 3.394 10 5 EGBERN Cc1nn(C(C)C)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130955076 1373615125 /nfs/dbraw/zinc/61/51/25/1373615125.db2.gz YRELZXJBHHVCMW-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN Cc1cccn2c(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])cnc12 ZINC001130984415 1373620265 /nfs/dbraw/zinc/62/02/65/1373620265.db2.gz KVBWAXNWIMZMQC-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN CCOc1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[N+](=O)[O-] ZINC001130997982 1373622611 /nfs/dbraw/zinc/62/26/11/1373622611.db2.gz YLLSVXUKLNCFCM-UHFFFAOYSA-N 0 0 346.339 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3ccc(F)cc3)CCC2)n1 ZINC001131597674 1373728697 /nfs/dbraw/zinc/72/86/97/1373728697.db2.gz AFPRBNJQMZETGD-UHFFFAOYSA-N 0 0 329.331 3.247 10 5 EGBERN COc1cncc(/C=C\CCN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001326783862 1388308880 /nfs/dbraw/zinc/30/88/80/1388308880.db2.gz NNSZSSALZAUQTI-RQOWECAXSA-N 0 0 325.368 3.418 10 5 EGBERN O=C(Oc1ccc2c(c1)CCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001131890943 1375029510 /nfs/dbraw/zinc/02/95/10/1375029510.db2.gz HWGXIPIMCGONHP-CVEARBPZSA-N 0 0 325.320 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2noc3ccc(F)cc23)c1 ZINC001132439329 1375383308 /nfs/dbraw/zinc/38/33/08/1375383308.db2.gz XPYKNQJLJGFOQZ-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)c(F)c2F)c1 ZINC001132497975 1375425347 /nfs/dbraw/zinc/42/53/47/1375425347.db2.gz QOHGFSBFPAUXBS-UHFFFAOYSA-N 0 0 344.220 3.412 10 5 EGBERN O=C(Nc1cccc2nccnc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001132558808 1375466125 /nfs/dbraw/zinc/46/61/25/1375466125.db2.gz VUKJMSINGOQAQZ-KBPBESRZSA-N 0 0 334.335 3.280 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001132637284 1375492900 /nfs/dbraw/zinc/49/29/00/1375492900.db2.gz LEHMJYKBXLRAKA-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC001228724207 1375653247 /nfs/dbraw/zinc/65/32/47/1375653247.db2.gz ZTDMAAWXSRNXHE-XEZPLFJOSA-N 0 0 337.420 3.059 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC001132962931 1375676168 /nfs/dbraw/zinc/67/61/68/1375676168.db2.gz OPXMOBFLVJOOPJ-QPJJXVBHSA-N 0 0 333.731 3.304 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001132983351 1375693931 /nfs/dbraw/zinc/69/39/31/1375693931.db2.gz WMSFZMZZKSMNCL-YLQAJVPDSA-N 0 0 340.383 3.089 10 5 EGBERN CCc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc1 ZINC001132999938 1375703566 /nfs/dbraw/zinc/70/35/66/1375703566.db2.gz DHNLYOUUZHEORZ-UHFFFAOYSA-N 0 0 337.282 3.406 10 5 EGBERN Cn1c2ccccc2nc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001133260247 1375875999 /nfs/dbraw/zinc/87/59/99/1375875999.db2.gz YVDNMSXFQAKDHG-KGLIPLIRSA-N 0 0 336.351 3.224 10 5 EGBERN Cc1noc(C(C)C)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001133806208 1376213643 /nfs/dbraw/zinc/21/36/43/1376213643.db2.gz ZIMDXAFXNZLMDF-UHFFFAOYSA-N 0 0 343.343 3.003 10 5 EGBERN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cccc([N+](=O)[O-])c1 ZINC001133855652 1376235838 /nfs/dbraw/zinc/23/58/38/1376235838.db2.gz HLHXYXRGBGGJLH-MRXNPFEDSA-N 0 0 339.351 3.188 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1CCC=CCC1 ZINC001133902199 1376258312 /nfs/dbraw/zinc/25/83/12/1376258312.db2.gz WWGMIQGTLNOXOO-UHFFFAOYSA-N 0 0 333.344 3.051 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc(C(C)C)nc2)cc([N+](=O)[O-])c1 ZINC001133959900 1376284833 /nfs/dbraw/zinc/28/48/33/1376284833.db2.gz SUAUPEHSORHOGE-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(C)nc2s1 ZINC001134036220 1376322934 /nfs/dbraw/zinc/32/29/34/1376322934.db2.gz DPNBIBWAKQMHRG-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN CC(C)Oc1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001134271630 1376447883 /nfs/dbraw/zinc/44/78/83/1376447883.db2.gz YRUPRWWCYDTPBG-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)c1 ZINC001134282396 1376455854 /nfs/dbraw/zinc/45/58/54/1376455854.db2.gz IBMYRXQXYHHYKZ-DEOSSOPVSA-N 0 0 348.380 3.209 10 5 EGBERN CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC001134354967 1376490831 /nfs/dbraw/zinc/49/08/31/1376490831.db2.gz YEBBOVRGYSYUGO-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN COc1c(Cl)cccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001134522126 1376575099 /nfs/dbraw/zinc/57/50/99/1376575099.db2.gz HRCMOAUSZAKSMT-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN COc1c(F)nccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001134838063 1376748643 /nfs/dbraw/zinc/74/86/43/1376748643.db2.gz KPTSOWBWCUVFSI-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CSc2cccnn2)o1 ZINC001189112676 1388461859 /nfs/dbraw/zinc/46/18/59/1388461859.db2.gz OSEPNAPKGYAJAO-UHFFFAOYSA-N 0 0 349.759 3.381 10 5 EGBERN CCCCC1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001134934723 1376799456 /nfs/dbraw/zinc/79/94/56/1376799456.db2.gz GUGCGDMGJUDBGX-UHFFFAOYSA-N 0 0 328.372 3.233 10 5 EGBERN CC(=O)c1cccc(OCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001134960520 1376813137 /nfs/dbraw/zinc/81/31/37/1376813137.db2.gz XUANUMBNKDMKMK-UHFFFAOYSA-N 0 0 328.324 3.123 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)CCO1 ZINC001135200480 1376970766 /nfs/dbraw/zinc/97/07/66/1376970766.db2.gz JFLBQUBOGNJUCH-GHMZBOCLSA-N 0 0 334.397 3.449 10 5 EGBERN CC(=O)N/C(=C/c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001135304232 1377028354 /nfs/dbraw/zinc/02/83/54/1377028354.db2.gz BQFNDMWREHOLHO-NTEUORMPSA-N 0 0 345.380 3.080 10 5 EGBERN CCCCOCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001135487238 1377115615 /nfs/dbraw/zinc/11/56/15/1377115615.db2.gz UMBJOOFIVSNSDC-UHFFFAOYSA-N 0 0 332.759 3.324 10 5 EGBERN CCOC(=O)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC001135504995 1377121819 /nfs/dbraw/zinc/12/18/19/1377121819.db2.gz UOSWFVXKRCRXEK-MRXNPFEDSA-N 0 0 342.351 3.189 10 5 EGBERN O=C(NCc1cccnc1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001135574882 1377153224 /nfs/dbraw/zinc/15/32/24/1377153224.db2.gz QQSQHWQMEFRIFL-UHFFFAOYSA-N 0 0 344.129 3.366 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC001135637872 1377170439 /nfs/dbraw/zinc/17/04/39/1377170439.db2.gz VTNLHIOWXVPFPD-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN CCC(C)(CC)C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001266360039 1377294072 /nfs/dbraw/zinc/29/40/72/1377294072.db2.gz OTEPGMBNCQQILZ-UHFFFAOYSA-N 0 0 327.450 3.031 10 5 EGBERN CCc1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001136266617 1377371271 /nfs/dbraw/zinc/37/12/71/1377371271.db2.gz WKSTVCIFBCJAFP-SUMWQHHRSA-N 0 0 334.416 3.482 10 5 EGBERN Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(N)c1Cl ZINC001136366909 1377383562 /nfs/dbraw/zinc/38/35/62/1377383562.db2.gz BXUIELMKLVMMQV-UHFFFAOYSA-N 0 0 333.775 3.111 10 5 EGBERN CC(C)N(CCc1ccccc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136436918 1377392974 /nfs/dbraw/zinc/39/29/74/1377392974.db2.gz PBGKYSNSKPYKOW-UHFFFAOYSA-N 0 0 336.779 3.065 10 5 EGBERN CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC001136451314 1377394417 /nfs/dbraw/zinc/39/44/17/1377394417.db2.gz TXQQHOPDSQNTFS-LLVKDONJSA-N 0 0 348.378 3.249 10 5 EGBERN CSc1ccc(N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001136745096 1377418912 /nfs/dbraw/zinc/41/89/12/1377418912.db2.gz MHMCAMRFYUGFOV-OAHLLOKOSA-N 0 0 332.381 3.013 10 5 EGBERN CCCCC[C@@H](O)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840052 1377429048 /nfs/dbraw/zinc/42/90/48/1377429048.db2.gz BGOJTUUYSSRPCM-GDBMZVCRSA-N 0 0 338.429 3.110 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC001137002471 1377455440 /nfs/dbraw/zinc/45/54/40/1377455440.db2.gz NIMNHANYOLQOGZ-SNVBAGLBSA-N 0 0 349.337 3.448 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001137252297 1377504288 /nfs/dbraw/zinc/50/42/88/1377504288.db2.gz MQTLWINWQPCLQP-HNNXBMFYSA-N 0 0 326.352 3.061 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001137481733 1377556059 /nfs/dbraw/zinc/55/60/59/1377556059.db2.gz DRZFWKCEIGSACX-LLVKDONJSA-N 0 0 332.331 3.143 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C2CC2)cc1 ZINC001141272746 1378288733 /nfs/dbraw/zinc/28/87/33/1378288733.db2.gz DDTLUAKOUUIQLG-QGZVFWFLSA-N 0 0 325.368 3.367 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCc3nc(F)ccc32)cc1[N+](=O)[O-] ZINC001279195862 1378301262 /nfs/dbraw/zinc/30/12/62/1378301262.db2.gz GRJIXWHDTFEWEP-UHFFFAOYSA-N 0 0 335.722 3.294 10 5 EGBERN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001141472298 1378331842 /nfs/dbraw/zinc/33/18/42/1378331842.db2.gz IUKVVWGJINSIBL-HNNXBMFYSA-N 0 0 334.759 3.335 10 5 EGBERN CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccsc1 ZINC001143920951 1378660797 /nfs/dbraw/zinc/66/07/97/1378660797.db2.gz SMUQVWCZVGDWTI-UHFFFAOYSA-N 0 0 343.364 3.246 10 5 EGBERN O=C(Nc1cnn(CCF)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001147519579 1379036782 /nfs/dbraw/zinc/03/67/82/1379036782.db2.gz OXNRTENGRDDFAJ-UHFFFAOYSA-N 0 0 346.240 3.032 10 5 EGBERN CC(C)C[C@@H](CO)N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327700199 1388587695 /nfs/dbraw/zinc/58/76/95/1388587695.db2.gz RZECZCYYIAJORP-NSHDSACASA-N 0 0 338.795 3.035 10 5 EGBERN O=C(c1ccc(-c2c[nH]cn2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148565812 1379213049 /nfs/dbraw/zinc/21/30/49/1379213049.db2.gz ACJMEYFKYHICDU-UHFFFAOYSA-N 0 0 334.335 3.141 10 5 EGBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148776508 1379266077 /nfs/dbraw/zinc/26/60/77/1379266077.db2.gz WJYSBDBUJARCLR-LLVKDONJSA-N 0 0 334.763 3.087 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCc2c[nH]nc21 ZINC001149768140 1379441767 /nfs/dbraw/zinc/44/17/67/1379441767.db2.gz YXHQGMSAAKXQNS-CQSZACIVSA-N 0 0 348.790 3.098 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCN2 ZINC001150479582 1379556622 /nfs/dbraw/zinc/55/66/22/1379556622.db2.gz JLSILHJVTQIOTF-UHFFFAOYSA-N 0 0 332.747 3.024 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327912168 1388622596 /nfs/dbraw/zinc/62/25/96/1388622596.db2.gz BWGMQANUKMTIMW-KEYYUXOJSA-N 0 0 329.400 3.099 10 5 EGBERN Cc1cscc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001151452755 1379720941 /nfs/dbraw/zinc/72/09/41/1379720941.db2.gz OCZDLLNAJZWGFM-UHFFFAOYSA-N 0 0 338.410 3.301 10 5 EGBERN Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2F)c(N)c([N+](=O)[O-])c1 ZINC001152236449 1379892532 /nfs/dbraw/zinc/89/25/32/1379892532.db2.gz DBQLYOIXAMIIMU-UHFFFAOYSA-N 0 0 343.236 3.294 10 5 EGBERN Cc1cc(C(=O)N(CCO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001152719353 1379975497 /nfs/dbraw/zinc/97/54/97/1379975497.db2.gz VIJYMSJKOSRNRU-CQSZACIVSA-N 0 0 328.368 3.099 10 5 EGBERN CCSc1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001153398442 1380070547 /nfs/dbraw/zinc/07/05/47/1380070547.db2.gz SYPGPPUDAFNYSV-MRXNPFEDSA-N 0 0 346.408 3.057 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)s1 ZINC001328038897 1388651103 /nfs/dbraw/zinc/65/11/03/1388651103.db2.gz MYQMYCZHNAOORY-VDAHYXPESA-N 0 0 326.328 3.445 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H]1c1ccccc1 ZINC001154728066 1380341318 /nfs/dbraw/zinc/34/13/18/1380341318.db2.gz QETAUURJYMPBQS-PXAZEXFGSA-N 0 0 325.368 3.400 10 5 EGBERN CC1(C)CCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845207 1380363652 /nfs/dbraw/zinc/36/36/52/1380363652.db2.gz QASKNZUFPWRHOL-ZDUSSCGKSA-N 0 0 344.415 3.346 10 5 EGBERN C[C@@H]1CCCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154854025 1380365999 /nfs/dbraw/zinc/36/59/99/1380365999.db2.gz TUJDYHXNMNAWGW-OCCSQVGLSA-N 0 0 344.415 3.346 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001157252171 1380825066 /nfs/dbraw/zinc/82/50/66/1380825066.db2.gz XKMGLRSDPJJTIK-UHFFFAOYSA-N 0 0 340.379 3.209 10 5 EGBERN CCc1[nH]nc(Cl)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001157523693 1380955239 /nfs/dbraw/zinc/95/52/39/1380955239.db2.gz FRWNDPDRYHEJJA-VIFPVBQESA-N 0 0 336.779 3.067 10 5 EGBERN C[C@H](CNC(=O)Cc1nc(C2CC2)cs1)c1ccccc1[N+](=O)[O-] ZINC001157523680 1380955306 /nfs/dbraw/zinc/95/53/06/1380955306.db2.gz FNGDYDKOSDRMKO-LLVKDONJSA-N 0 0 345.424 3.391 10 5 EGBERN COc1cccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c1F ZINC001328231544 1388693594 /nfs/dbraw/zinc/69/35/94/1388693594.db2.gz JISQJGRJTTVEKZ-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN Cc1ccc(NC(=O)CCCOc2cccc(F)c2)c(N)c1[N+](=O)[O-] ZINC001158223473 1381164608 /nfs/dbraw/zinc/16/46/08/1381164608.db2.gz KSQGVWRSQGVKGZ-UHFFFAOYSA-N 0 0 347.346 3.422 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C2 ZINC001158489297 1381265275 /nfs/dbraw/zinc/26/52/75/1381265275.db2.gz HTFJQBYCDNGQIZ-LKFCYVNXSA-N 0 0 344.795 3.212 10 5 EGBERN COC(=O)c1cc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)c(C)o1 ZINC001287974637 1381458189 /nfs/dbraw/zinc/45/81/89/1381458189.db2.gz MYVILRKCFDZYTO-UHFFFAOYSA-N 0 0 347.323 3.257 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC001158973710 1381492425 /nfs/dbraw/zinc/49/24/25/1381492425.db2.gz QSFSUJRITOYPIG-RDJZCZTQSA-N 0 0 336.432 3.176 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CCC2)CC1 ZINC001288166185 1381614291 /nfs/dbraw/zinc/61/42/91/1381614291.db2.gz VBKJJHQCRCZNKF-OAHLLOKOSA-N 0 0 332.400 3.402 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(n1)CCCC2 ZINC001288549378 1381882699 /nfs/dbraw/zinc/88/26/99/1381882699.db2.gz QDSYJPITGVAHIG-UHFFFAOYSA-N 0 0 340.383 3.187 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cn(C)nc2C2CCCCC2)n1 ZINC001159971790 1381954643 /nfs/dbraw/zinc/95/46/43/1381954643.db2.gz PZMGWULBEKXYRY-UHFFFAOYSA-N 0 0 343.387 3.332 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC001289396037 1381998242 /nfs/dbraw/zinc/99/82/42/1381998242.db2.gz SZOSXKLUEYTXLT-JTQLQIEISA-N 0 0 328.324 3.179 10 5 EGBERN CCON(CC1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001161349926 1382379092 /nfs/dbraw/zinc/37/90/92/1382379092.db2.gz ILVMSPPWUPQIJX-UHFFFAOYSA-N 0 0 346.387 3.445 10 5 EGBERN CCC[C@@H](CCc1ccccc1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293920785 1382393009 /nfs/dbraw/zinc/39/30/09/1382393009.db2.gz SXNNXAJQNDCEFJ-HNNXBMFYSA-N 0 0 342.399 3.103 10 5 EGBERN CNc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294094214 1382416847 /nfs/dbraw/zinc/41/68/47/1382416847.db2.gz ILDANCSZQOAQJL-LBPRGKRZSA-N 0 0 328.372 3.139 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cc(F)c(F)cc2N)cc1[N+](=O)[O-] ZINC001294093882 1382417128 /nfs/dbraw/zinc/41/71/28/1382417128.db2.gz DOZHRLKVRBPDBC-VIFPVBQESA-N 0 0 335.310 3.255 10 5 EGBERN CN(CCOc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1F ZINC001162015884 1382601778 /nfs/dbraw/zinc/60/17/78/1382601778.db2.gz WBAKHZJCZLMFCC-UHFFFAOYSA-N 0 0 325.727 3.298 10 5 EGBERN COc1ccc(OCCNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC001162020479 1382604357 /nfs/dbraw/zinc/60/43/57/1382604357.db2.gz JBIMXGUPIHCROC-UHFFFAOYSA-N 0 0 339.351 3.064 10 5 EGBERN C[C@H](Nc1ncnc(F)c1Br)c1cccc([N+](=O)[O-])c1 ZINC001162200844 1382655459 /nfs/dbraw/zinc/65/54/59/1382655459.db2.gz RRRBIJLXXCQIRL-ZETCQYMHSA-N 0 0 341.140 3.460 10 5 EGBERN C[C@@H](Nc1ncnc(F)c1Br)c1cccc([N+](=O)[O-])c1 ZINC001162200842 1382655844 /nfs/dbraw/zinc/65/58/44/1382655844.db2.gz RRRBIJLXXCQIRL-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN Cc1cccc(CN(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC001162216014 1382658926 /nfs/dbraw/zinc/65/89/26/1382658926.db2.gz HXMXUPBBBOIUKH-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN COc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001295832123 1382840125 /nfs/dbraw/zinc/84/01/25/1382840125.db2.gz GXMSJYISSKFMNH-UHFFFAOYSA-N 0 0 334.353 3.283 10 5 EGBERN CSCc1cc(F)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162742484 1382855771 /nfs/dbraw/zinc/85/57/71/1382855771.db2.gz KTOVXNDXIOZAPU-UHFFFAOYSA-N 0 0 349.387 3.308 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3scc(C)c32)cc1[N+](=O)[O-] ZINC001163007101 1382946646 /nfs/dbraw/zinc/94/66/46/1382946646.db2.gz YLMYYBRLFDNOGT-UHFFFAOYSA-N 0 0 345.336 3.487 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(F)c1F ZINC001163053534 1382955957 /nfs/dbraw/zinc/95/59/57/1382955957.db2.gz AZBQDIRZVBUIDE-UHFFFAOYSA-N 0 0 325.246 3.306 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(C(C)=O)c1 ZINC001163055296 1382956016 /nfs/dbraw/zinc/95/60/16/1382956016.db2.gz WKHREBIVTFMORM-UHFFFAOYSA-N 0 0 327.340 3.400 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Nc2cccc(OCc3ccccn3)c2)n1 ZINC001163126950 1382971729 /nfs/dbraw/zinc/97/17/29/1382971729.db2.gz HYCCROALAYQFAM-UHFFFAOYSA-N 0 0 325.328 3.046 10 5 EGBERN Cc1nccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1F ZINC001163132522 1382972881 /nfs/dbraw/zinc/97/28/81/1382972881.db2.gz DESAAHZEJNIZPW-UHFFFAOYSA-N 0 0 327.319 3.235 10 5 EGBERN CC(C)Oc1nc(N[C@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001163353791 1383029249 /nfs/dbraw/zinc/02/92/49/1383029249.db2.gz TVPCJSCHPIURIL-CZUORRHYSA-N 0 0 339.436 3.478 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCn3c(cc4ccccc43)C2)c(F)c1 ZINC001163419572 1383048252 /nfs/dbraw/zinc/04/82/52/1383048252.db2.gz MQYWGQLUQZZEDR-UHFFFAOYSA-N 0 0 326.331 3.494 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(C(F)F)no2)c(Br)c1 ZINC001163545870 1383074852 /nfs/dbraw/zinc/07/48/52/1383074852.db2.gz UYGKZDHGJXURCN-UHFFFAOYSA-N 0 0 349.091 3.290 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CSc2ccccc2O1 ZINC001163591376 1383083851 /nfs/dbraw/zinc/08/38/51/1383083851.db2.gz VOXAMZPLLYBKLA-SNVBAGLBSA-N 0 0 347.352 3.468 10 5 EGBERN Cc1nc(NCc2cccc(Br)c2C)ncc1[N+](=O)[O-] ZINC001163606386 1383087365 /nfs/dbraw/zinc/08/73/65/1383087365.db2.gz YWECEWXVVVXYIP-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN CC(C)(C)CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001296991510 1383102962 /nfs/dbraw/zinc/10/29/62/1383102962.db2.gz VSVUVADUTQLTJW-FVQBIDKESA-N 0 0 334.416 3.002 10 5 EGBERN COc1ccc(F)c(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC001163763600 1383119760 /nfs/dbraw/zinc/11/97/60/1383119760.db2.gz BDHBWOVFMVFRQQ-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN CN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001163929782 1383136811 /nfs/dbraw/zinc/13/68/11/1383136811.db2.gz NAWDHWSLQBBHDB-ZDUSSCGKSA-N 0 0 339.823 3.051 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC001297702378 1383218791 /nfs/dbraw/zinc/21/87/91/1383218791.db2.gz LHLTWCMGSZYEKO-UHFFFAOYSA-N 0 0 347.758 3.353 10 5 EGBERN Nc1c(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC001297983173 1383318032 /nfs/dbraw/zinc/31/80/32/1383318032.db2.gz QFLUFIXKNTWVQX-UHFFFAOYSA-N 0 0 345.786 3.336 10 5 EGBERN CCC/C=C\[C@H](O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298142999 1383378984 /nfs/dbraw/zinc/37/89/84/1383378984.db2.gz URAYRVWSJTUAAT-JFWTUMDPSA-N 0 0 332.400 3.018 10 5 EGBERN Cc1cc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c(F)cc1[N+](=O)[O-] ZINC001166029789 1383379445 /nfs/dbraw/zinc/37/94/45/1383379445.db2.gz HUSSNSYGMBKLPC-WBMJQRKESA-N 0 0 325.336 3.149 10 5 EGBERN O=c1sc2c(cccc2F)n1CCOc1ccccc1[N+](=O)[O-] ZINC001166235070 1383405895 /nfs/dbraw/zinc/40/58/95/1383405895.db2.gz QMGRLHDUUGQDPM-UHFFFAOYSA-N 0 0 334.328 3.189 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001299859323 1383632679 /nfs/dbraw/zinc/63/26/79/1383632679.db2.gz XUWVYKBDHVKFDN-UHFFFAOYSA-N 0 0 340.339 3.379 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001300117312 1383645901 /nfs/dbraw/zinc/64/59/01/1383645901.db2.gz UTVXQCIREDPWDG-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC2CCC1CC2 ZINC001300206594 1383652243 /nfs/dbraw/zinc/65/22/43/1383652243.db2.gz LUVWORGPFJZBGQ-WNYYMSAVSA-N 0 0 335.379 3.261 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc2c1CCCC2 ZINC001300769340 1383680126 /nfs/dbraw/zinc/68/01/26/1383680126.db2.gz GDDGKALGZBOISU-UHFFFAOYSA-N 0 0 326.356 3.163 10 5 EGBERN O=C(N[C@@H]1CCCC12CCCCC2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001300770356 1383680189 /nfs/dbraw/zinc/68/01/89/1383680189.db2.gz PQHRMBAQQLEVST-SECBINFHSA-N 0 0 326.784 3.204 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001300982847 1383688477 /nfs/dbraw/zinc/68/84/77/1383688477.db2.gz ONYBXPWBZCAZPE-CQSZACIVSA-N 0 0 329.759 3.278 10 5 EGBERN CC1(c2ccccc2)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001301252655 1383703264 /nfs/dbraw/zinc/70/32/64/1383703264.db2.gz FCMZHOQYLJHERR-UHFFFAOYSA-N 0 0 335.363 3.490 10 5 EGBERN C[C@]1(C2CCCCC2)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001302916323 1383773153 /nfs/dbraw/zinc/77/31/53/1383773153.db2.gz LHRRHOFWDBMGOS-SJLPKXTDSA-N 0 0 332.400 3.200 10 5 EGBERN CNc1c(C(=O)NC2CC(Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001303345461 1383794878 /nfs/dbraw/zinc/79/48/78/1383794878.db2.gz BZJVHIIWSHYGMZ-UHFFFAOYSA-N 0 0 340.383 3.009 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1C[C@H]1C ZINC001306086249 1383872697 /nfs/dbraw/zinc/87/26/97/1383872697.db2.gz DQQWGVOJEDDSNP-UKRRQHHQSA-N 0 0 343.431 3.084 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1C[C@H]1C ZINC001306086247 1383872801 /nfs/dbraw/zinc/87/28/01/1383872801.db2.gz DQQWGVOJEDDSNP-HIFRSBDPSA-N 0 0 343.431 3.084 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)n1 ZINC001306670865 1383900219 /nfs/dbraw/zinc/90/02/19/1383900219.db2.gz NNPVMTRYMKNZNO-MRXNPFEDSA-N 0 0 340.383 3.395 10 5 EGBERN CCNc1nc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cs1 ZINC001306862436 1383912086 /nfs/dbraw/zinc/91/20/86/1383912086.db2.gz KTWZLCFIWQZFSJ-UHFFFAOYSA-N 0 0 343.368 3.284 10 5 EGBERN COc1cc(C(F)(F)F)nc(NCc2ccccc2[N+](=O)[O-])n1 ZINC001306933238 1383922303 /nfs/dbraw/zinc/92/23/03/1383922303.db2.gz DTXOCWAURXFXIU-UHFFFAOYSA-N 0 0 328.250 3.024 10 5 EGBERN C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC001306962381 1383926506 /nfs/dbraw/zinc/92/65/06/1383926506.db2.gz NPUFVMKTMCGCPB-MNOVXSKESA-N 0 0 347.337 3.135 10 5 EGBERN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1nc(C2CC2)no1 ZINC001168519931 1383929108 /nfs/dbraw/zinc/92/91/08/1383929108.db2.gz PKZPJOQDXQTIPR-CQSZACIVSA-N 0 0 334.351 3.481 10 5 EGBERN CCCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001307083774 1383938182 /nfs/dbraw/zinc/93/81/82/1383938182.db2.gz MOKPCYYEWDBMGA-UHFFFAOYSA-N 0 0 338.408 3.357 10 5 EGBERN O=C(c1ccccc1)c1ccc(NCc2cc(=O)cc[nH]2)c([N+](=O)[O-])c1 ZINC001307138118 1383944568 /nfs/dbraw/zinc/94/45/68/1383944568.db2.gz VMGNHPYBPNBMPI-UHFFFAOYSA-N 0 0 349.346 3.126 10 5 EGBERN CNC(=O)c1ccc(NCC(F)(F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001307174450 1383950434 /nfs/dbraw/zinc/95/04/34/1383950434.db2.gz MRNIYPPFNCQITO-UHFFFAOYSA-N 0 0 349.337 3.467 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](O)Cc1ccccc1F ZINC001307210347 1383957946 /nfs/dbraw/zinc/95/79/46/1383957946.db2.gz IEFQQTJYUAAPPF-CQSZACIVSA-N 0 0 341.342 3.298 10 5 EGBERN Cc1nc([C@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)[nH]c1C ZINC001307208833 1383958087 /nfs/dbraw/zinc/95/80/87/1383958087.db2.gz NQDAPLHOUAHBIK-OAHLLOKOSA-N 0 0 338.371 3.219 10 5 EGBERN COc1nscc1CN(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001307219201 1383959515 /nfs/dbraw/zinc/95/95/15/1383959515.db2.gz KCQCHTJKHITREN-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN Cc1nc(N[C@H](Cc2ccccc2)c2ccccn2)ncc1[N+](=O)[O-] ZINC001307225673 1383960195 /nfs/dbraw/zinc/96/01/95/1383960195.db2.gz IINZYCOMOJFGFL-MRXNPFEDSA-N 0 0 335.367 3.484 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001307226812 1383961479 /nfs/dbraw/zinc/96/14/79/1383961479.db2.gz FPZOOTXWNNTHTG-LSDHHAIUSA-N 0 0 349.431 3.420 10 5 EGBERN COC(=O)/C=C\c1ccc(SCc2cc(C)on2)c([N+](=O)[O-])c1 ZINC001307230168 1383961953 /nfs/dbraw/zinc/96/19/53/1383961953.db2.gz QBEKEHPSDWRLJZ-XQRVVYSFSA-N 0 0 334.353 3.370 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC001307291833 1383967605 /nfs/dbraw/zinc/96/76/05/1383967605.db2.gz AYDJKRYBGXKLPI-UHFFFAOYSA-N 0 0 338.222 3.043 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1cccc(Cl)c1Br ZINC001307299017 1383967952 /nfs/dbraw/zinc/96/79/52/1383967952.db2.gz QIXDVSONEFUVGO-UHFFFAOYSA-N 0 0 343.564 3.221 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1OCc1ccnc(F)c1 ZINC001307315195 1383969898 /nfs/dbraw/zinc/96/98/98/1383969898.db2.gz LFMHRHDJOVQFMW-UHFFFAOYSA-N 0 0 327.109 3.470 10 5 EGBERN COC(=O)c1ccc(OC[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307327682 1383972070 /nfs/dbraw/zinc/97/20/70/1383972070.db2.gz HXILJQNPYHLAQA-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(OCCSCc2cccnc2[N+](=O)[O-])cc1 ZINC001307377132 1383979415 /nfs/dbraw/zinc/97/94/15/1383979415.db2.gz MAIJQHSYBINBRX-UHFFFAOYSA-N 0 0 335.341 3.210 10 5 EGBERN CN(Cc1nc2ccccc2n1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307564653 1384003782 /nfs/dbraw/zinc/00/37/82/1384003782.db2.gz NKGJZGGRLADLNO-UHFFFAOYSA-N 0 0 328.347 3.253 10 5 EGBERN Cc1ccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC001307920281 1384057687 /nfs/dbraw/zinc/05/76/87/1384057687.db2.gz KHDNHXIJOWNWKM-ZDUSSCGKSA-N 0 0 325.368 3.246 10 5 EGBERN C/C=C\C[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975167 1384067559 /nfs/dbraw/zinc/06/75/59/1384067559.db2.gz VCHBTFUJRMYVMX-NQHOJNORSA-N 0 0 347.415 3.220 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)CCO1 ZINC001310261873 1384218155 /nfs/dbraw/zinc/21/81/55/1384218155.db2.gz FKORYEMNRXDOTA-NXEZZACHSA-N 0 0 327.768 3.279 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@@H]1[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001312312910 1384339263 /nfs/dbraw/zinc/33/92/63/1384339263.db2.gz GFNOXHUIWAODGP-KBRIMQKVSA-N 0 0 349.431 3.238 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC001312433434 1384347616 /nfs/dbraw/zinc/34/76/16/1384347616.db2.gz PTMWQIIRGCOSLC-LSDHHAIUSA-N 0 0 343.387 3.077 10 5 EGBERN CCC[C@@H](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001312594494 1384359256 /nfs/dbraw/zinc/35/92/56/1384359256.db2.gz JEQZBXMXPNDJQI-LLVKDONJSA-N 0 0 333.392 3.097 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC1(C)C ZINC001312890761 1384377605 /nfs/dbraw/zinc/37/76/05/1384377605.db2.gz FLJRPCIBOLTANS-JKSUJKDBSA-N 0 0 331.416 3.487 10 5 EGBERN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC001313143751 1384399123 /nfs/dbraw/zinc/39/91/23/1384399123.db2.gz MFAWIVOTLAHLSN-SUNYJGFJSA-N 0 0 346.431 3.275 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001335769562 1388928284 /nfs/dbraw/zinc/92/82/84/1388928284.db2.gz AZIJDXUNHAVPAJ-QZTJIDSGSA-N 0 0 340.379 3.241 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCCCC1CC1 ZINC001171668600 1384596074 /nfs/dbraw/zinc/59/60/74/1384596074.db2.gz KEBDYJSDHPODGA-UHFFFAOYSA-N 0 0 337.351 3.002 10 5 EGBERN C[C@]1(CO)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC001175129926 1385199499 /nfs/dbraw/zinc/19/94/99/1385199499.db2.gz YEBFJPMAWURHOW-QGZVFWFLSA-N 0 0 348.786 3.398 10 5 EGBERN C[C@@](CO)(NCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001175324839 1385253097 /nfs/dbraw/zinc/25/30/97/1385253097.db2.gz WFIAYTNRRQINSE-KRWDZBQOSA-N 0 0 343.408 3.202 10 5 EGBERN CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001317734003 1385429730 /nfs/dbraw/zinc/42/97/30/1385429730.db2.gz FMZRQTRTKQSTEM-SPTPGQEZSA-N 0 0 343.427 3.126 10 5 EGBERN COc1ccc2c(n1)N(C)CCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001176280857 1385537466 /nfs/dbraw/zinc/53/74/66/1385537466.db2.gz FSJHWFHNUMQCNK-UHFFFAOYSA-N 0 0 348.790 3.108 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CCC1 ZINC001318529362 1385738898 /nfs/dbraw/zinc/73/88/98/1385738898.db2.gz ZVZXQAIFZQZVJK-UHFFFAOYSA-N 0 0 341.367 3.116 10 5 EGBERN CCCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001318940191 1385889540 /nfs/dbraw/zinc/88/95/40/1385889540.db2.gz AXBDPDMHXSYABZ-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN Cc1ccc(NC(=O)Cc2ccc(Cl)c(F)c2)c(N)c1[N+](=O)[O-] ZINC001179879898 1386616231 /nfs/dbraw/zinc/61/62/31/1386616231.db2.gz UVFPAFBBGYNHPH-UHFFFAOYSA-N 0 0 337.738 3.459 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc3ccccc3[nH]2)c1 ZINC001320855531 1386739998 /nfs/dbraw/zinc/73/99/98/1386739998.db2.gz ZIHCLFJFLSYMKA-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN Cc1cc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001181022789 1386918079 /nfs/dbraw/zinc/91/80/79/1386918079.db2.gz ZGCRJTNWBMUOHE-UHFFFAOYSA-N 0 0 349.387 3.099 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181021950 1386918122 /nfs/dbraw/zinc/91/81/22/1386918122.db2.gz MLIUCTXDDJNAJQ-CQSZACIVSA-N 0 0 339.395 3.289 10 5 EGBERN COc1ccc2[nH]c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2c1 ZINC001321713617 1386964301 /nfs/dbraw/zinc/96/43/01/1386964301.db2.gz QWWWIUVLZKEXFE-UHFFFAOYSA-N 0 0 337.335 3.241 10 5 EGBERN CSc1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC001181523187 1387009442 /nfs/dbraw/zinc/00/94/42/1387009442.db2.gz IIJXNMJXQATZDC-UHFFFAOYSA-N 0 0 344.392 3.221 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2cc(O)ccc2C1 ZINC001181522828 1387009478 /nfs/dbraw/zinc/00/94/78/1387009478.db2.gz DRGSFQVEJFDLBP-UHFFFAOYSA-N 0 0 346.770 3.081 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1NCC1(OCCO)CCC(F)(F)CC1 ZINC001329758883 1389219470 /nfs/dbraw/zinc/21/94/70/1389219470.db2.gz LSFZFIQXZPPWLR-UHFFFAOYSA-N 0 0 348.321 3.103 10 5 EGBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1ccc(F)cc1 ZINC001337636038 1389405438 /nfs/dbraw/zinc/40/54/38/1389405438.db2.gz BWWAWLKNKJTKHJ-GFCCVEGCSA-N 0 0 332.291 3.070 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC3CCC(O)(C(F)(F)F)CC3)nc2c1 ZINC001330590743 1389463738 /nfs/dbraw/zinc/46/37/38/1389463738.db2.gz RCPZPUPYRIYEHI-UHFFFAOYSA-N 0 0 344.293 3.119 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@](C)(F)C2)cc1Cl ZINC001330593428 1389464557 /nfs/dbraw/zinc/46/45/57/1389464557.db2.gz YQSCHFTXQJMQAD-AWEZNQCLSA-N 0 0 330.743 3.363 10 5 EGBERN CC1(C)OCC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330688869 1389498003 /nfs/dbraw/zinc/49/80/03/1389498003.db2.gz GSPYOSMIADCPJO-SECBINFHSA-N 0 0 336.779 3.418 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001330775110 1389523324 /nfs/dbraw/zinc/52/33/24/1389523324.db2.gz QUWRNMJLFBDHQY-GUYCJALGSA-N 0 0 347.415 3.071 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]2OCCC[C@H]2C1 ZINC001331674710 1389853434 /nfs/dbraw/zinc/85/34/34/1389853434.db2.gz SFRMJZXAAUYEAI-KBXCAEBGSA-N 0 0 340.379 3.389 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001333241054 1390270094 /nfs/dbraw/zinc/27/00/94/1390270094.db2.gz OMGAEXHNLSOWPQ-LLVKDONJSA-N 0 0 337.763 3.448 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001335103213 1390642778 /nfs/dbraw/zinc/64/27/78/1390642778.db2.gz SYGUEDIWKLACPA-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@H]1C(F)F ZINC001344736894 1390812337 /nfs/dbraw/zinc/81/23/37/1390812337.db2.gz ZBTSBWLKTCPUEQ-ZDUSSCGKSA-N 0 0 336.298 3.404 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])OC[C@H]1CCOC2(CCC2)C1 ZINC001344970629 1390828257 /nfs/dbraw/zinc/82/82/57/1390828257.db2.gz COVBOQDCTNXURD-AWEZNQCLSA-N 0 0 348.399 3.289 10 5 EGBERN CCc1ccc(C(=O)OC[C@]23CCC[C@]2(OC)OCC3)cc1[N+](=O)[O-] ZINC001345629977 1390870371 /nfs/dbraw/zinc/87/03/71/1390870371.db2.gz FEIXLKGDSMQSIM-MSOLQXFVSA-N 0 0 349.383 3.247 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001346488600 1390945743 /nfs/dbraw/zinc/94/57/43/1390945743.db2.gz HBJGXFBDQFPECT-CMPLNLGQSA-N 0 0 339.779 3.281 10 5 EGBERN CO[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC001347231042 1391034505 /nfs/dbraw/zinc/03/45/05/1391034505.db2.gz JWQJHMAXCKUDQP-ZANVPECISA-N 0 0 336.779 3.053 10 5 EGBERN CO[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC001347231041 1391034595 /nfs/dbraw/zinc/03/45/95/1391034595.db2.gz JWQJHMAXCKUDQP-TVQRCGJNSA-N 0 0 336.779 3.053 10 5 EGBERN Cc1cc(NC2CC3(CC3(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001347270595 1391044253 /nfs/dbraw/zinc/04/42/53/1391044253.db2.gz NIKIFSCQFSQZNR-UHFFFAOYSA-N 0 0 346.337 3.382 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)CC1 ZINC001348139999 1391178420 /nfs/dbraw/zinc/17/84/20/1391178420.db2.gz TUIHMJBHRDNJGV-MRXNPFEDSA-N 0 0 344.342 3.338 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C(F)(F)F)ccn1 ZINC001348476504 1391225513 /nfs/dbraw/zinc/22/55/13/1391225513.db2.gz IWPSMNNRZUIFPU-UHFFFAOYSA-N 0 0 342.229 3.236 10 5 EGBERN COc1cc(C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC001348738609 1391259848 /nfs/dbraw/zinc/25/98/48/1391259848.db2.gz DPUGWBXMHBECDN-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccccc1 ZINC001348763114 1391263648 /nfs/dbraw/zinc/26/36/48/1391263648.db2.gz NNEHUJZWJCJAJV-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC001349305711 1391319165 /nfs/dbraw/zinc/31/91/65/1391319165.db2.gz YYMKSARVDOMFCK-UHFFFAOYSA-N 0 0 332.287 3.066 10 5 EGBERN Cc1cc(O)ccc1CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001349494752 1391335416 /nfs/dbraw/zinc/33/54/16/1391335416.db2.gz KZZZCTVFYCIRJD-CYBMUJFWSA-N 0 0 328.368 3.071 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001349616691 1391345392 /nfs/dbraw/zinc/34/53/92/1391345392.db2.gz VJSOCVWGLOOXGY-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001349942590 1391388988 /nfs/dbraw/zinc/38/89/88/1391388988.db2.gz QRGGNQBQRZMWTG-JTQLQIEISA-N 0 0 328.324 3.179 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001349961233 1391391553 /nfs/dbraw/zinc/39/15/53/1391391553.db2.gz LSZIBTIGVXFNFF-LBPRGKRZSA-N 0 0 339.351 3.358 10 5 EGBERN C[C@@H](Cc1ccno1)OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001350289299 1391441643 /nfs/dbraw/zinc/44/16/43/1391441643.db2.gz UISMWASYBYEFCR-JTQLQIEISA-N 0 0 338.747 3.343 10 5 EGBERN C/C(=C\C(=O)NC1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001350308917 1391445020 /nfs/dbraw/zinc/44/50/20/1391445020.db2.gz BATOWSPUNJCZRH-JLHYYAGUSA-N 0 0 330.384 3.074 10 5 EGBERN C[C@]1(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1(F)F ZINC001350394088 1391457999 /nfs/dbraw/zinc/45/79/99/1391457999.db2.gz IUWUYKXKIOWFMN-HNNXBMFYSA-N 0 0 339.342 3.098 10 5 EGBERN Cc1cc(C)c(OC(=O)Cc2nn(C)c3ccccc23)c([N+](=O)[O-])c1 ZINC001350585723 1391484466 /nfs/dbraw/zinc/48/44/66/1391484466.db2.gz BTYPHRQLVBNGGG-UHFFFAOYSA-N 0 0 339.351 3.246 10 5 EGBERN CON1CCC(c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC1 ZINC001350696233 1391508990 /nfs/dbraw/zinc/50/89/90/1391508990.db2.gz BFTHYGIZXLUHOI-UHFFFAOYSA-N 0 0 332.360 3.002 10 5 EGBERN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001350904177 1391555283 /nfs/dbraw/zinc/55/52/83/1391555283.db2.gz FGQPMQTYRCVWBJ-GFCCVEGCSA-N 0 0 346.387 3.159 10 5 EGBERN C[C@@H](NC(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001350904863 1391555317 /nfs/dbraw/zinc/55/53/17/1391555317.db2.gz NWYVDIJWFDCCQI-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN COc1cccc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1Cl ZINC001351153084 1391605195 /nfs/dbraw/zinc/60/51/95/1391605195.db2.gz JGRIYQYFFUHSLA-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001351215069 1391611947 /nfs/dbraw/zinc/61/19/47/1391611947.db2.gz AWOREMOIFAIPHT-JLLWLGSASA-N 0 0 346.280 3.237 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001351310600 1391624903 /nfs/dbraw/zinc/62/49/03/1391624903.db2.gz CIOPMVMZVBFFJK-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CC1(C)OC(=O)c2c1cccc2C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001351310615 1391625007 /nfs/dbraw/zinc/62/50/07/1391625007.db2.gz CUWFWSJCWQDNGK-UHFFFAOYSA-N 0 0 344.298 3.392 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1COC[C@H]1c1ccccc1 ZINC001351359457 1391631461 /nfs/dbraw/zinc/63/14/61/1391631461.db2.gz RXIRJAVFIQYQHU-UONOGXRCSA-N 0 0 330.315 3.103 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001351380019 1391634003 /nfs/dbraw/zinc/63/40/03/1391634003.db2.gz PKYUBZYSSZJKQC-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001351793398 1391690986 /nfs/dbraw/zinc/69/09/86/1391690986.db2.gz APLOWSKSADQKIQ-UHFFFAOYSA-N 0 0 329.360 3.024 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N=c1sc2ccccc2n1C ZINC001352151653 1391765758 /nfs/dbraw/zinc/76/57/58/1391765758.db2.gz DIISTSIDODUJKF-UHFFFAOYSA-N 0 0 345.355 3.337 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001352599447 1391819852 /nfs/dbraw/zinc/81/98/52/1391819852.db2.gz KTRPLGQPXGOXME-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN COc1ccc(NC(=O)c2cc(Br)co2)c([N+](=O)[O-])c1 ZINC001352704950 1391834920 /nfs/dbraw/zinc/83/49/20/1391834920.db2.gz WNBLOGVERLDRLC-UHFFFAOYSA-N 0 0 341.117 3.211 10 5 EGBERN COc1cc(F)c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001352811819 1391853135 /nfs/dbraw/zinc/85/31/35/1391853135.db2.gz PSDUVEXLDABULO-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc1F ZINC001352949644 1391891542 /nfs/dbraw/zinc/89/15/42/1391891542.db2.gz AFMHTOPUCJCJCB-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](c3nccs3)C2)c1F ZINC001353570170 1392041273 /nfs/dbraw/zinc/04/12/73/1392041273.db2.gz DPCQVKKFCRQJBC-JTQLQIEISA-N 0 0 335.360 3.129 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)N(C)C ZINC001354548567 1392152178 /nfs/dbraw/zinc/15/21/78/1392152178.db2.gz JMOOUACARWQJDK-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN C[C@H](OC(=O)c1ncc2c(F)cccn21)c1cccc([N+](=O)[O-])c1 ZINC001354617251 1392156412 /nfs/dbraw/zinc/15/64/12/1392156412.db2.gz ZFNISXHKOAXVDM-JTQLQIEISA-N 0 0 329.287 3.300 10 5 EGBERN CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354802605 1392170349 /nfs/dbraw/zinc/17/03/49/1392170349.db2.gz UBUIZWOKYGPZJS-IAGOWNOFSA-N 0 0 334.416 3.362 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC001355143162 1392195705 /nfs/dbraw/zinc/19/57/05/1392195705.db2.gz IHLNMWZPIQPTGU-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN CCN(CCCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001479837117 1392422607 /nfs/dbraw/zinc/42/26/07/1392422607.db2.gz CHPPAIGHDUUCEM-UHFFFAOYSA-N 0 0 341.477 3.421 10 5 EGBERN CCCc1occc1C(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001689820519 1404159207 /nfs/dbraw/zinc/15/92/07/1404159207.db2.gz RZEIOFNFPOOWGA-UHFFFAOYSA-N 0 0 345.399 3.315 10 5 EGBERN Cc1ccc(C(=O)NCC2(NCc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC001699670633 1413060475 /nfs/dbraw/zinc/06/04/75/1413060475.db2.gz XBKKFGPWTRJEJI-UHFFFAOYSA-N 0 0 345.424 3.017 10 5 EGBERN CC/C=C(/C)C(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045287 1414702310 /nfs/dbraw/zinc/70/23/10/1414702310.db2.gz HNZPSKZEJKCLSB-UUASQNMZSA-N 0 0 343.427 3.199 10 5 EGBERN CN(CCN(C)C(=O)CC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001715511521 1420195719 /nfs/dbraw/zinc/19/57/19/1420195719.db2.gz UXTDPESASLIHQI-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1[C@H]1C[C@H]1C ZINC001762529156 1441376312 /nfs/dbraw/zinc/37/63/12/1441376312.db2.gz IGHQLEWEBBDVEB-BZNIZROVSA-N 0 0 327.388 3.245 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1c2ccccc2C[C@H]1O ZINC000368130857 168314706 /nfs/dbraw/zinc/31/47/06/168314706.db2.gz GZYJDSSYTOOBMY-UKRRQHHQSA-N 0 0 347.758 3.028 10 5 EGBERN Cc1sc(C(=O)Oc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000052339549 214125717 /nfs/dbraw/zinc/12/57/17/214125717.db2.gz MJPOWDUWDGQJOF-UHFFFAOYSA-N 0 0 348.336 3.141 10 5 EGBERN CC[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177785454 529554667 /nfs/dbraw/zinc/55/46/67/529554667.db2.gz HHSUMUZNZPOHDN-DOTOQJQBSA-N 0 0 326.352 3.166 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccccc1 ZINC000097998605 219067277 /nfs/dbraw/zinc/06/72/77/219067277.db2.gz LIBOQCWDVHJRAT-SREVYHEPSA-N 0 0 326.308 3.113 10 5 EGBERN O=C(COC(=O)c1ccc(Cl)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004242906 210151611 /nfs/dbraw/zinc/15/16/11/210151611.db2.gz GPLHYOFJHOKVQH-UHFFFAOYSA-N 0 0 340.744 3.105 10 5 EGBERN COc1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000102378984 219199178 /nfs/dbraw/zinc/19/91/78/219199178.db2.gz PZCGEVHUEKYSQD-UHFFFAOYSA-N 0 0 344.367 3.291 10 5 EGBERN COc1cc([C@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)ccc1O ZINC000003201790 209976430 /nfs/dbraw/zinc/97/64/30/209976430.db2.gz MUJDJMKWNQMKPR-HNNXBMFYSA-N 0 0 326.352 3.371 10 5 EGBERN CCOC(=O)c1cccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040659663 213365772 /nfs/dbraw/zinc/36/57/72/213365772.db2.gz HNRNEEYLPLRSFJ-UHFFFAOYSA-N 0 0 346.343 3.092 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Sc3ccccc3)c2[N+](=O)[O-])n1 ZINC000040650187 213363515 /nfs/dbraw/zinc/36/35/15/213363515.db2.gz IYUDKZRIAYBKIY-UHFFFAOYSA-N 0 0 327.369 3.339 10 5 EGBERN CN(C)c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040608595 213357390 /nfs/dbraw/zinc/35/73/90/213357390.db2.gz PHBCXUPWSAMTAY-UHFFFAOYSA-N 0 0 343.265 3.093 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)c1 ZINC000181948918 234391577 /nfs/dbraw/zinc/39/15/77/234391577.db2.gz KQZXSYDJCJCDNI-AWEZNQCLSA-N 0 0 339.395 3.424 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000187718705 236284460 /nfs/dbraw/zinc/28/44/60/236284460.db2.gz NRXUQXUHUOCUES-GFCCVEGCSA-N 0 0 343.387 3.426 10 5 EGBERN CC[C@@H](C)C(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000036009782 213055416 /nfs/dbraw/zinc/05/54/16/213055416.db2.gz MNTJRMDAXYRVNS-DYVFJYSZSA-N 0 0 327.384 3.374 10 5 EGBERN CCOC(=O)c1cc(C(=O)Nc2ccncc2Cl)cc([N+](=O)[O-])c1 ZINC000032845151 212855610 /nfs/dbraw/zinc/85/56/10/212855610.db2.gz YNHRTIOQMFZPGQ-UHFFFAOYSA-N 0 0 349.730 3.072 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000072203787 216069298 /nfs/dbraw/zinc/06/92/98/216069298.db2.gz PTKJKTUAPMZJNT-CHWSQXEVSA-N 0 0 336.392 3.238 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000120705263 284062950 /nfs/dbraw/zinc/06/29/50/284062950.db2.gz MRPPIKQSQDOHQM-MRXNPFEDSA-N 0 0 326.352 3.262 10 5 EGBERN Cc1nc(C)c(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000266307737 248238834 /nfs/dbraw/zinc/23/88/34/248238834.db2.gz DKNPHTDKLFPXHX-JTQLQIEISA-N 0 0 340.426 3.344 10 5 EGBERN C[C@@H](NC(=O)NCc1noc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000376839019 168954175 /nfs/dbraw/zinc/95/41/75/168954175.db2.gz MJCYPJWBAJIKEU-LLVKDONJSA-N 0 0 344.371 3.022 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000378619875 169148160 /nfs/dbraw/zinc/14/81/60/169148160.db2.gz RSODVZADINPUEX-PXAZEXFGSA-N 0 0 336.363 3.151 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000408196421 169165105 /nfs/dbraw/zinc/16/51/05/169165105.db2.gz CBNXNOCOAAZCKM-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN CC1(C)CCCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000408442105 169177556 /nfs/dbraw/zinc/17/75/56/169177556.db2.gz HPLXUDBLWZNZJJ-UHFFFAOYSA-N 0 0 332.447 3.076 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC2(CCCC2)C1 ZINC000408229399 169166535 /nfs/dbraw/zinc/16/65/35/169166535.db2.gz RDBBVAGINKVCSD-UHFFFAOYSA-N 0 0 338.791 3.342 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000089835104 217856548 /nfs/dbraw/zinc/85/65/48/217856548.db2.gz BTUIQCIEYJOJOV-LSDHHAIUSA-N 0 0 346.333 3.335 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(-n2nnc3ccccc32)cc1OCC ZINC000009377545 211077682 /nfs/dbraw/zinc/07/76/82/211077682.db2.gz HILWRUBFFNDAHK-UHFFFAOYSA-N 0 0 328.328 3.126 10 5 EGBERN C[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)O1 ZINC000093969383 218258475 /nfs/dbraw/zinc/25/84/75/218258475.db2.gz VNAYCAPIENXQSA-RKDXNWHRSA-N 0 0 344.314 3.338 10 5 EGBERN O=C(OCc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000095416730 218355519 /nfs/dbraw/zinc/35/55/19/218355519.db2.gz KXKHHTKQHYKTEP-UHFFFAOYSA-N 0 0 341.348 3.470 10 5 EGBERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007957358 210870961 /nfs/dbraw/zinc/87/09/61/210870961.db2.gz YCCOLZRALWFSJG-SYWHHGDHSA-N 0 0 346.383 3.169 10 5 EGBERN Cc1cc(C)c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)c1 ZINC000005970499 210569880 /nfs/dbraw/zinc/56/98/80/210569880.db2.gz CCMOWJXTBBLCBO-UHFFFAOYSA-N 0 0 329.356 3.241 10 5 EGBERN Cc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000005970233 210570436 /nfs/dbraw/zinc/57/04/36/210570436.db2.gz AIYXYXDPZZMPNE-CHWSQXEVSA-N 0 0 341.367 3.043 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000268861778 252309653 /nfs/dbraw/zinc/30/96/53/252309653.db2.gz RPODZNLKJAEALX-SCLBCKFNSA-N 0 0 344.367 3.108 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CCCOC1 ZINC000264507882 285085373 /nfs/dbraw/zinc/08/53/73/285085373.db2.gz SEAUDLKCDMLZQO-MRVPVSSYSA-N 0 0 335.238 3.113 10 5 EGBERN CCCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005431377 210462609 /nfs/dbraw/zinc/46/26/09/210462609.db2.gz OVSNCRCGNPTPHR-UHFFFAOYSA-N 0 0 328.324 3.414 10 5 EGBERN CC1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)COC1 ZINC000112619917 220357957 /nfs/dbraw/zinc/35/79/57/220357957.db2.gz WWGHWJXZXHECMT-UHFFFAOYSA-N 0 0 341.367 3.105 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000356794710 285187805 /nfs/dbraw/zinc/18/78/05/285187805.db2.gz NDRRQZMXVMWNKJ-UHFFFAOYSA-N 0 0 339.351 3.055 10 5 EGBERN CCc1ncc(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000119188013 221261494 /nfs/dbraw/zinc/26/14/94/221261494.db2.gz GROZMHJEUAYVSR-AWEZNQCLSA-N 0 0 329.360 3.220 10 5 EGBERN COc1cc(OC)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000119707079 221382851 /nfs/dbraw/zinc/38/28/51/221382851.db2.gz WOKYOZBPOPXAKT-GFCCVEGCSA-N 0 0 346.383 3.471 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000156303287 224603902 /nfs/dbraw/zinc/60/39/02/224603902.db2.gz ARAZFINBRHZALP-INIZCTEOSA-N 0 0 342.351 3.323 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc([N+](=O)[O-])c1C ZINC000191794765 533518322 /nfs/dbraw/zinc/51/83/22/533518322.db2.gz XACMAFYNPBJMHL-AWEZNQCLSA-N 0 0 344.371 3.002 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000184573030 291995569 /nfs/dbraw/zinc/99/55/69/291995569.db2.gz CVOVGOREXQPVFZ-CYBMUJFWSA-N 0 0 349.437 3.290 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000338039758 141078068 /nfs/dbraw/zinc/07/80/68/141078068.db2.gz KWCBVYVYZHFJBU-UHFFFAOYSA-N 0 0 343.364 3.200 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000338058077 141084745 /nfs/dbraw/zinc/08/47/45/141084745.db2.gz JCWUXXBQYMWLLD-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338138036 141100603 /nfs/dbraw/zinc/10/06/03/141100603.db2.gz FVEVJRYFXFDJCS-NSHDSACASA-N 0 0 336.344 3.221 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000341266109 141147451 /nfs/dbraw/zinc/14/74/51/141147451.db2.gz SMEBFKDUJMNOSO-SNVBAGLBSA-N 0 0 326.312 3.069 10 5 EGBERN CC(C)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000348040565 141235469 /nfs/dbraw/zinc/23/54/69/141235469.db2.gz DSDQIGDHESATOB-GFCCVEGCSA-N 0 0 336.335 3.390 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C(F)F)c1Cl ZINC000348144871 141238434 /nfs/dbraw/zinc/23/84/34/141238434.db2.gz RDAVXSPBBAMFMK-UHFFFAOYSA-N 0 0 330.678 3.021 10 5 EGBERN COc1ccc(C(=O)Nc2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000348150516 141238900 /nfs/dbraw/zinc/23/89/00/141238900.db2.gz DFEVQLRZZIESKB-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000356854872 141355664 /nfs/dbraw/zinc/35/56/64/141355664.db2.gz KESCEQMGYWCBJC-YFKPBYRVSA-N 0 0 341.083 3.494 10 5 EGBERN COC1(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC1 ZINC000354958014 292108586 /nfs/dbraw/zinc/10/85/86/292108586.db2.gz DMKBUCLNDIBECZ-UHFFFAOYSA-N 0 0 346.305 3.303 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171646542 144008798 /nfs/dbraw/zinc/00/87/98/144008798.db2.gz BZNXYJFPFJNCPL-ZDUSSCGKSA-N 0 0 331.397 3.000 10 5 EGBERN O=C(N[C@H]1CCCOC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000171693029 144009427 /nfs/dbraw/zinc/00/94/27/144009427.db2.gz MNMKWOJUTTXHLW-HNNXBMFYSA-N 0 0 341.367 3.247 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000171723111 144010252 /nfs/dbraw/zinc/01/02/52/144010252.db2.gz SEMDRZTWRMMAML-LBPRGKRZSA-N 0 0 347.396 3.080 10 5 EGBERN CCC(CC)c1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)on1 ZINC000173657078 144046341 /nfs/dbraw/zinc/04/63/41/144046341.db2.gz VCBZBQABJWKSQI-UHFFFAOYSA-N 0 0 332.360 3.120 10 5 EGBERN Cc1cnc(OCc2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000178279499 144068646 /nfs/dbraw/zinc/06/86/46/144068646.db2.gz QJUSARFVOGRIEV-UHFFFAOYSA-N 0 0 328.303 3.202 10 5 EGBERN CCOc1cccc(NCCCc2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000184144656 144087244 /nfs/dbraw/zinc/08/72/44/144087244.db2.gz CLBGHYGNYYYKDS-UHFFFAOYSA-N 0 0 332.404 3.389 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000185243887 144108560 /nfs/dbraw/zinc/10/85/60/144108560.db2.gz BMYMXJFQWNVOIJ-ZBEGNZNMSA-N 0 0 346.362 3.314 10 5 EGBERN CCOc1cc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000186148181 144125783 /nfs/dbraw/zinc/12/57/83/144125783.db2.gz IWCBNNKCAXMWLZ-ZFWWWQNUSA-N 0 0 348.424 3.267 10 5 EGBERN CCOc1cc(N2C[C@H](CO)[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000186148157 144125835 /nfs/dbraw/zinc/12/58/35/144125835.db2.gz IWCBNNKCAXMWLZ-HIFRSBDPSA-N 0 0 348.424 3.267 10 5 EGBERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187112094 144152687 /nfs/dbraw/zinc/15/26/87/144152687.db2.gz FBFTWFAORGZSNP-JTQLQIEISA-N 0 0 349.774 3.052 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1cc(Cl)ccc1F ZINC000343220116 144196328 /nfs/dbraw/zinc/19/63/28/144196328.db2.gz HCMHSGPKJSEQBJ-UHFFFAOYSA-N 0 0 327.724 3.032 10 5 EGBERN Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(-c2ccccn2)n1 ZINC000344921571 144243093 /nfs/dbraw/zinc/24/30/93/144243093.db2.gz QTXWKZOVHRIKKA-UHFFFAOYSA-N 0 0 335.367 3.392 10 5 EGBERN CCOC(=O)c1c(C)onc1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000351608059 144287729 /nfs/dbraw/zinc/28/77/29/144287729.db2.gz YPMUXUXESQFWHO-CQSZACIVSA-N 0 0 347.371 3.309 10 5 EGBERN Cn1cc([C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C)cn1 ZINC000351735267 144298525 /nfs/dbraw/zinc/29/85/25/144298525.db2.gz LQRNAGQQSQJERQ-OAHLLOKOSA-N 0 0 338.358 3.484 10 5 EGBERN CN(C)c1ccnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000361638596 144341321 /nfs/dbraw/zinc/34/13/21/144341321.db2.gz CELKVLRFELZBBU-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@@H](C4CC4)C3)cs2)c1 ZINC000375331740 144587622 /nfs/dbraw/zinc/58/76/22/144587622.db2.gz LVIKSLNGQJQMLK-MRXNPFEDSA-N 0 0 345.424 3.329 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOC[C@H]1CC1CCC1 ZINC000341396903 155268088 /nfs/dbraw/zinc/26/80/88/155268088.db2.gz CKWGGJCPQPNBCQ-CYBMUJFWSA-N 0 0 343.383 3.107 10 5 EGBERN COCc1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000115477796 152015045 /nfs/dbraw/zinc/01/50/45/152015045.db2.gz CYHOEFYDGLSLGH-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000116045302 152039381 /nfs/dbraw/zinc/03/93/81/152039381.db2.gz JBOFFCOWFQOIQR-ZDUSSCGKSA-N 0 0 345.311 3.382 10 5 EGBERN Cc1cccc(OCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000119816171 152229159 /nfs/dbraw/zinc/22/91/59/152229159.db2.gz KCFKUHJOAOLVGP-UHFFFAOYSA-N 0 0 339.351 3.193 10 5 EGBERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000120104540 152251503 /nfs/dbraw/zinc/25/15/03/152251503.db2.gz NCCRFNKLJNTMOU-LLVKDONJSA-N 0 0 348.428 3.459 10 5 EGBERN CC[C@@H](NC(=O)c1sc(COC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000121138563 152329295 /nfs/dbraw/zinc/32/92/95/152329295.db2.gz UEWNPYJDFWXTHV-CYBMUJFWSA-N 0 0 349.412 3.387 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000154717661 152596390 /nfs/dbraw/zinc/59/63/90/152596390.db2.gz TVVHPTYQYVSOCM-HOTGVXAUSA-N 0 0 345.399 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2C(C)(C)C)c1=O ZINC000155797801 152643848 /nfs/dbraw/zinc/64/38/48/152643848.db2.gz BCBBQLCMICZLNI-UHFFFAOYSA-N 0 0 343.383 3.001 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189945253 153107291 /nfs/dbraw/zinc/10/72/91/153107291.db2.gz WVTYVGAMOGDXGU-INIZCTEOSA-N 0 0 326.352 3.086 10 5 EGBERN Cc1nccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2)n1 ZINC000193287592 153285106 /nfs/dbraw/zinc/28/51/06/153285106.db2.gz LOHGASMHENPSGJ-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000194912974 153367284 /nfs/dbraw/zinc/36/72/84/153367284.db2.gz FSURQCAFGIVZGE-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN CC(C)(C)c1csc([C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CCO2)n1 ZINC000195314137 153393963 /nfs/dbraw/zinc/39/39/63/153393963.db2.gz APSHCPSZTHOXIV-LBPRGKRZSA-N 0 0 348.428 3.322 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1C(F)F ZINC000337280971 154257779 /nfs/dbraw/zinc/25/77/79/154257779.db2.gz IYMINKWNIMGRRG-AWEZNQCLSA-N 0 0 337.326 3.265 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3C(F)F)n2)c1 ZINC000337425047 154347211 /nfs/dbraw/zinc/34/72/11/154347211.db2.gz WIWGKSKRKZJVQD-GFCCVEGCSA-N 0 0 338.314 3.264 10 5 EGBERN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000340074612 155089328 /nfs/dbraw/zinc/08/93/28/155089328.db2.gz MKSLRCUFWWGEFB-AWEZNQCLSA-N 0 0 347.371 3.018 10 5 EGBERN COC(=O)c1cc(C(=O)N2Cc3ccccc3[C@H]2C)cc([N+](=O)[O-])c1 ZINC000341011283 155123946 /nfs/dbraw/zinc/12/39/46/155123946.db2.gz WDWDBYUAEQWLBR-LLVKDONJSA-N 0 0 340.335 3.098 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341031757 155126814 /nfs/dbraw/zinc/12/68/14/155126814.db2.gz VLHBETWCZZRRHW-CYBMUJFWSA-N 0 0 326.352 3.467 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccc3nncn3c2)cc1[N+](=O)[O-] ZINC000341785952 155477712 /nfs/dbraw/zinc/47/77/12/155477712.db2.gz NYPUVPNQNQMXKA-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341863313 155503480 /nfs/dbraw/zinc/50/34/80/155503480.db2.gz XENZCQGQACSDQK-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343180617 155681958 /nfs/dbraw/zinc/68/19/58/155681958.db2.gz CTOKJRWGNALSQP-CYBMUJFWSA-N 0 0 348.362 3.498 10 5 EGBERN Cc1nc(C(C)C)ccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000345396985 156085662 /nfs/dbraw/zinc/08/56/62/156085662.db2.gz NMNDEZOSPBMQNA-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=C(NCCc1cscn1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348869950 156269303 /nfs/dbraw/zinc/26/93/03/156269303.db2.gz QRTDUQWVEWAYJV-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN CCCCn1cc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c(C)n1 ZINC000360116526 156923174 /nfs/dbraw/zinc/92/31/74/156923174.db2.gz IOELALOOKUGWFC-UHFFFAOYSA-N 0 0 346.387 3.299 10 5 EGBERN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057496 157003328 /nfs/dbraw/zinc/00/33/28/157003328.db2.gz OCFVNLUWFXYBCF-JTQLQIEISA-N 0 0 342.138 3.093 10 5 EGBERN CC(C)c1csc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000079701855 161806753 /nfs/dbraw/zinc/80/67/53/161806753.db2.gz VOMASIWYURUFRA-UHFFFAOYSA-N 0 0 334.401 3.250 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110444411 162127257 /nfs/dbraw/zinc/12/72/57/162127257.db2.gz PELFRIQIJHXBQF-HZPDHXFCSA-N 0 0 340.379 3.284 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000113215432 162206072 /nfs/dbraw/zinc/20/60/72/162206072.db2.gz FRGHXXUOZUDBDX-IBGZPJMESA-N 0 0 339.395 3.492 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114439898 162232331 /nfs/dbraw/zinc/23/23/31/162232331.db2.gz KIKGMQPYOYKEOK-QGZVFWFLSA-N 0 0 345.355 3.466 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000125008331 162261923 /nfs/dbraw/zinc/26/19/23/162261923.db2.gz LUYFPIQGFYWGFR-UHFFFAOYSA-N 0 0 338.327 3.332 10 5 EGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000128899135 162340535 /nfs/dbraw/zinc/34/05/35/162340535.db2.gz RRFCAWXVPOOVIJ-DYVFJYSZSA-N 0 0 340.379 3.208 10 5 EGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000131141500 162392643 /nfs/dbraw/zinc/39/26/43/162392643.db2.gz HEPQLANDGBOVEI-LLVKDONJSA-N 0 0 338.371 3.244 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151829826 162604267 /nfs/dbraw/zinc/60/42/67/162604267.db2.gz MTCWDTLWFSFVOL-PXAZEXFGSA-N 0 0 326.352 3.059 10 5 EGBERN Cc1cc(COC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000181296631 162783139 /nfs/dbraw/zinc/78/31/39/162783139.db2.gz NNJDPUXABXZBER-CQSZACIVSA-N 0 0 340.335 3.072 10 5 EGBERN C[C@H](C(=O)N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183408628 162827835 /nfs/dbraw/zinc/82/78/35/162827835.db2.gz ZWLLDIXWZDTFQL-BONVTDFDSA-N 0 0 330.315 3.087 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000337046480 163114932 /nfs/dbraw/zinc/11/49/32/163114932.db2.gz LLNNNVQZFPKVMY-HOCLYGCPSA-N 0 0 342.399 3.016 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c(OC)c1 ZINC000337194826 163159398 /nfs/dbraw/zinc/15/93/98/163159398.db2.gz VMVPTEGAWUVMFT-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN COc1cc(CN2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000338330449 163212889 /nfs/dbraw/zinc/21/28/89/163212889.db2.gz DIFSNAMLHDTGLQ-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN CC1(C)C(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000338458489 163231028 /nfs/dbraw/zinc/23/10/28/163231028.db2.gz JLSYGPRNIJRJED-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000354349184 166007249 /nfs/dbraw/zinc/00/72/49/166007249.db2.gz SYDIDRFKMAVGBV-UHFFFAOYSA-N 0 0 342.355 3.024 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000338842868 163361147 /nfs/dbraw/zinc/36/11/47/163361147.db2.gz XVZMJAALBHRNNS-FVQBIDKESA-N 0 0 334.351 3.069 10 5 EGBERN Cc1noc2ncc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc12 ZINC000338895131 163377490 /nfs/dbraw/zinc/37/74/90/163377490.db2.gz MIEJQLPQWTWQPH-UHFFFAOYSA-N 0 0 337.295 3.173 10 5 EGBERN CC[C@H](CSC)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343511112 163974719 /nfs/dbraw/zinc/97/47/19/163974719.db2.gz MXDCZYJSPQJMQP-SECBINFHSA-N 0 0 332.372 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nc[nH]n2)ccc1F ZINC000344288025 164146837 /nfs/dbraw/zinc/14/68/37/164146837.db2.gz QTHLEAGFWXUNIN-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN COCCN(CCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000344422612 164175253 /nfs/dbraw/zinc/17/52/53/164175253.db2.gz QIQCHJHWFNRCSV-UHFFFAOYSA-N 0 0 349.362 3.051 10 5 EGBERN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000345695532 164245570 /nfs/dbraw/zinc/24/55/70/164245570.db2.gz ZDHOEZRKXIAJIR-SJCJKPOMSA-N 0 0 343.408 3.368 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2cnccc2C)c1 ZINC000345705835 164248404 /nfs/dbraw/zinc/24/84/04/164248404.db2.gz LEMOWJIWULHDDY-UHFFFAOYSA-N 0 0 343.383 3.034 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345804699 164268817 /nfs/dbraw/zinc/26/88/17/164268817.db2.gz JDPONWYANQQXKB-UHFFFAOYSA-N 0 0 329.356 3.434 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346354873 164373848 /nfs/dbraw/zinc/37/38/48/164373848.db2.gz UXXUFBPITKVNQX-OAHLLOKOSA-N 0 0 329.356 3.081 10 5 EGBERN CC(=O)N(C)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000347100275 164444681 /nfs/dbraw/zinc/44/46/81/164444681.db2.gz LXZUWPCZNSZKCU-UHFFFAOYSA-N 0 0 344.352 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000347855833 164598129 /nfs/dbraw/zinc/59/81/29/164598129.db2.gz UPUIHVVUBSDCLN-KWQFWETISA-N 0 0 332.278 3.016 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000348311479 164705694 /nfs/dbraw/zinc/70/56/94/164705694.db2.gz WMJJQVSMPOXYBX-CYBMUJFWSA-N 0 0 344.396 3.274 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000354939458 166069604 /nfs/dbraw/zinc/06/96/04/166069604.db2.gz VSQZABJAYVHJDX-JKSUJKDBSA-N 0 0 346.427 3.409 10 5 EGBERN C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1F ZINC000349698819 164915727 /nfs/dbraw/zinc/91/57/27/164915727.db2.gz VNNNOUMXFBTBCG-GFCCVEGCSA-N 0 0 343.358 3.207 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000351679011 165128809 /nfs/dbraw/zinc/12/88/09/165128809.db2.gz LEEWVBSOHWFOGE-AAEUAGOBSA-N 0 0 338.429 3.394 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000351903513 165143792 /nfs/dbraw/zinc/14/37/92/165143792.db2.gz XUKMKKVPGQHLOT-LSDHHAIUSA-N 0 0 346.408 3.046 10 5 EGBERN CCc1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000353255428 165695659 /nfs/dbraw/zinc/69/56/59/165695659.db2.gz DNXXPZVXHACPFI-MRXNPFEDSA-N 0 0 347.396 3.341 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000353736740 165875872 /nfs/dbraw/zinc/87/58/72/165875872.db2.gz FRXUXWWKIVBKQV-HNNXBMFYSA-N 0 0 329.356 3.148 10 5 EGBERN COc1c(C(=O)Nc2ccc3oc(C)nc3c2)cccc1[N+](=O)[O-] ZINC000353917883 165922091 /nfs/dbraw/zinc/92/20/91/165922091.db2.gz XQYWIFSKJLPOMF-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000355163917 166121308 /nfs/dbraw/zinc/12/13/08/166121308.db2.gz MYSFPEARWVOFJY-XIKOKIGWSA-N 0 0 334.416 3.210 10 5 EGBERN COc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196069 166129139 /nfs/dbraw/zinc/12/91/39/166129139.db2.gz HABLBWNPQXHRAD-KOLCDFICSA-N 0 0 348.321 3.385 10 5 EGBERN COc1ccc(N(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C2CC2)cc1 ZINC000355379694 166180246 /nfs/dbraw/zinc/18/02/46/166180246.db2.gz FNHPUESJALFUDV-NSHDSACASA-N 0 0 329.356 3.377 10 5 EGBERN Nc1ccc(-c2noc(-c3scnc3C3CC3)n2)cc1[N+](=O)[O-] ZINC000355423928 166194215 /nfs/dbraw/zinc/19/42/15/166194215.db2.gz FLKYFYCJQAWRHC-UHFFFAOYSA-N 0 0 329.341 3.228 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(NC(N)=O)cc2)no1 ZINC000355762955 166300325 /nfs/dbraw/zinc/30/03/25/166300325.db2.gz RPHIBQHWXQSCEF-UHFFFAOYSA-N 0 0 339.311 3.111 10 5 EGBERN Cc1ccc(-c2noc(C(C)(C)c3cnn(C)c3)n2)cc1[N+](=O)[O-] ZINC000355984887 166366826 /nfs/dbraw/zinc/36/68/26/166366826.db2.gz MNJPYICQKVCIGS-UHFFFAOYSA-N 0 0 327.344 3.013 10 5 EGBERN CCOC(=O)c1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1C(F)F ZINC000357911060 166810459 /nfs/dbraw/zinc/81/04/59/166810459.db2.gz LIJFPYCNKWIXIN-UHFFFAOYSA-N 0 0 329.234 3.034 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)c2c[nH]c3ccccc23)n1 ZINC000358861894 166987973 /nfs/dbraw/zinc/98/79/73/166987973.db2.gz WUHPXGCJGGZNSJ-UHFFFAOYSA-N 0 0 325.324 3.350 10 5 EGBERN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccn1 ZINC000358923550 167007159 /nfs/dbraw/zinc/00/71/59/167007159.db2.gz WKDQBMKMEYTBOU-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000359083525 167062856 /nfs/dbraw/zinc/06/28/56/167062856.db2.gz ONJCURVMKQRKIJ-GFCCVEGCSA-N 0 0 347.806 3.346 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H]2COc3ccccc3O2)n1 ZINC000359099144 167066456 /nfs/dbraw/zinc/06/64/56/167066456.db2.gz OKBIVUMDWZFWJK-ZDUSSCGKSA-N 0 0 329.356 3.249 10 5 EGBERN CN(c1ccccc1)c1ccc(CNc2cn(C)nn2)cc1[N+](=O)[O-] ZINC000359478225 167167738 /nfs/dbraw/zinc/16/77/38/167167738.db2.gz ZFWVJMUDHVQDAF-UHFFFAOYSA-N 0 0 338.371 3.103 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000359531784 167181015 /nfs/dbraw/zinc/18/10/15/167181015.db2.gz BXWLEAHMHQJWBW-JTQLQIEISA-N 0 0 333.319 3.019 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359548757 167188578 /nfs/dbraw/zinc/18/85/78/167188578.db2.gz ASHYDJYLVIXREP-UHFFFAOYSA-N 0 0 341.367 3.184 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cncc(F)c1 ZINC000359555551 167192133 /nfs/dbraw/zinc/19/21/33/167192133.db2.gz RCEYFJCYWUEOEO-VIFPVBQESA-N 0 0 328.303 3.101 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000360259231 167284453 /nfs/dbraw/zinc/28/44/53/167284453.db2.gz UMKPWQBFBZMBMM-CABCVRRESA-N 0 0 346.408 3.046 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000360278603 167288159 /nfs/dbraw/zinc/28/81/59/167288159.db2.gz ICZZUVSPWLXCKZ-LLVKDONJSA-N 0 0 346.364 3.362 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000360531948 167351019 /nfs/dbraw/zinc/35/10/19/167351019.db2.gz ZGMMVKYOXSEOEX-LLVKDONJSA-N 0 0 349.412 3.306 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000360805079 167418364 /nfs/dbraw/zinc/41/83/64/167418364.db2.gz YZJMULLHGCNRMZ-UHFFFAOYSA-N 0 0 328.372 3.249 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000364965893 168006219 /nfs/dbraw/zinc/00/62/19/168006219.db2.gz CQPSKCHQUJZRJS-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000365957406 168064582 /nfs/dbraw/zinc/06/45/82/168064582.db2.gz WYKIZCYKAHBOKO-HIFRSBDPSA-N 0 0 325.368 3.316 10 5 EGBERN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000366288600 168102503 /nfs/dbraw/zinc/10/25/03/168102503.db2.gz VTMAGMYAFZVQJZ-GDBMZVCRSA-N 0 0 340.807 3.018 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1noc(-c2cccc(F)c2)n1 ZINC000366807964 168143388 /nfs/dbraw/zinc/14/33/88/168143388.db2.gz PPZRCJKLARJFQJ-UHFFFAOYSA-N 0 0 329.291 3.099 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000366829851 168145669 /nfs/dbraw/zinc/14/56/69/168145669.db2.gz PZFMNMNMTBMQGH-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000367557328 168241487 /nfs/dbraw/zinc/24/14/87/168241487.db2.gz POTQVNJCBORESG-CQSZACIVSA-N 0 0 334.420 3.293 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000367781253 168269506 /nfs/dbraw/zinc/26/95/06/168269506.db2.gz HPMKUSYSGXUEQM-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN COc1ccccc1N1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000172278083 227592907 /nfs/dbraw/zinc/59/29/07/227592907.db2.gz WQXBFFNUYKVXOH-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C2CC2)n1 ZINC000160281825 264871733 /nfs/dbraw/zinc/87/17/33/264871733.db2.gz RIPKXIUDLDIYQO-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2cc(F)ccc2n1C ZINC000174592903 265057457 /nfs/dbraw/zinc/05/74/57/265057457.db2.gz HFALVVZWEGNXJA-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175168764 265097733 /nfs/dbraw/zinc/09/77/33/265097733.db2.gz VSYIIYWTIAVSJA-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000176289572 265167013 /nfs/dbraw/zinc/16/70/13/265167013.db2.gz OQKWPZNRRMIVFN-OAHLLOKOSA-N 0 0 347.346 3.390 10 5 EGBERN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190708854 265859258 /nfs/dbraw/zinc/85/92/58/265859258.db2.gz PYANXXBACBVTRF-NSHDSACASA-N 0 0 345.321 3.228 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)n1 ZINC000191710591 265926897 /nfs/dbraw/zinc/92/68/97/265926897.db2.gz AWHQADOOOBHFIJ-LRDDRELGSA-N 0 0 342.399 3.255 10 5 EGBERN Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000193383168 266028155 /nfs/dbraw/zinc/02/81/55/266028155.db2.gz LIKMUANIYFUIOH-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193398509 266028576 /nfs/dbraw/zinc/02/85/76/266028576.db2.gz GZXHEJXGOUDXPY-LLVKDONJSA-N 0 0 345.321 3.116 10 5 EGBERN COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000193790090 266062947 /nfs/dbraw/zinc/06/29/47/266062947.db2.gz VRMTUAMMLNIENG-HNNXBMFYSA-N 0 0 326.352 3.411 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000231327521 266205994 /nfs/dbraw/zinc/20/59/94/266205994.db2.gz YRMGYSZORKCNEE-BXKDBHETSA-N 0 0 329.194 3.320 10 5 EGBERN CC(=O)c1ccc(NCc2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000269657475 266335067 /nfs/dbraw/zinc/33/50/67/266335067.db2.gz FPUBFMFJHFDZPE-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CCc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH]1 ZINC000270735359 266550321 /nfs/dbraw/zinc/55/03/21/266550321.db2.gz SINHPGNHSBMHOQ-SSDOTTSWSA-N 0 0 329.282 3.467 10 5 EGBERN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271375855 266650422 /nfs/dbraw/zinc/65/04/22/266650422.db2.gz IUKSDTMHTKSWBR-GUYCJALGSA-N 0 0 342.399 3.250 10 5 EGBERN C[C@@H](c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)C1CC1 ZINC000274007575 267163412 /nfs/dbraw/zinc/16/34/12/267163412.db2.gz ODSMXLQWIHWADC-YMTOWFKASA-N 0 0 328.328 3.357 10 5 EGBERN CCCCCC(=O)NC1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000274566320 267255292 /nfs/dbraw/zinc/25/52/92/267255292.db2.gz CMJMTDDZHLSLIH-UHFFFAOYSA-N 0 0 349.431 3.269 10 5 EGBERN CC(C)(O)C(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000274588518 267259868 /nfs/dbraw/zinc/25/98/68/267259868.db2.gz JJIOOZWILOEBCB-UHFFFAOYSA-N 0 0 349.309 3.285 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](c4ccsc4)C3)nc2c1 ZINC000278466048 268019950 /nfs/dbraw/zinc/01/99/50/268019950.db2.gz NCYIFSQBDRCFKJ-AWEZNQCLSA-N 0 0 330.369 3.111 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCOC4(CCSCC4)C3)nc2c1 ZINC000278497950 268026079 /nfs/dbraw/zinc/02/60/79/268026079.db2.gz QELUNHZRNRYFCZ-NSHDSACASA-N 0 0 348.428 3.328 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000278513931 268030174 /nfs/dbraw/zinc/03/01/74/268030174.db2.gz BTGDDQUMVRFJKM-GFCCVEGCSA-N 0 0 332.385 3.017 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000361724354 274278049 /nfs/dbraw/zinc/27/80/49/274278049.db2.gz BSZQIOUALOPYKE-UGSOOPFHSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(NCCC1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000046872626 275139065 /nfs/dbraw/zinc/13/90/65/275139065.db2.gz MFTPDLFUCBITEU-UHFFFAOYSA-N 0 0 346.431 3.007 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(C)(C)C)nn1C ZINC000103375593 275161801 /nfs/dbraw/zinc/16/18/01/275161801.db2.gz MRPOEAODQWJIPF-LLVKDONJSA-N 0 0 342.399 3.217 10 5 EGBERN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000109590211 275178733 /nfs/dbraw/zinc/17/87/33/275178733.db2.gz CZMNJPCLOYXJAP-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116297377 275189399 /nfs/dbraw/zinc/18/93/99/275189399.db2.gz XDMDHIDZTMYUIJ-IUODEOHRSA-N 0 0 329.356 3.352 10 5 EGBERN CC(C)(C)c1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184979330 275214374 /nfs/dbraw/zinc/21/43/74/275214374.db2.gz JEERJZQGJVOOAX-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN CCOC(=O)c1cc(NCc2csc(CC)n2)ccc1[N+](=O)[O-] ZINC000189610854 275220121 /nfs/dbraw/zinc/22/01/21/275220121.db2.gz SYZJKXIPOLTNKN-UHFFFAOYSA-N 0 0 335.385 3.403 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCSc2ccccc21 ZINC000194941523 275230956 /nfs/dbraw/zinc/23/09/56/275230956.db2.gz RSUPLNDHYVCHOZ-UHFFFAOYSA-N 0 0 329.381 3.441 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(CCO)CCCC1 ZINC000278882811 275284110 /nfs/dbraw/zinc/28/41/10/275284110.db2.gz YQFPXUYBOPQPAJ-UHFFFAOYSA-N 0 0 340.807 3.229 10 5 EGBERN O=C(NCC1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000279120468 275305519 /nfs/dbraw/zinc/30/55/19/275305519.db2.gz ADMSNKJZMDWSKN-UHFFFAOYSA-N 0 0 339.395 3.241 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000364906028 275399742 /nfs/dbraw/zinc/39/97/42/275399742.db2.gz OHDURQQGLIDOCS-AYJWMTRPSA-N 0 0 326.356 3.085 10 5 EGBERN CC[C@H](NC(=O)N1CCCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000281869504 275583972 /nfs/dbraw/zinc/58/39/72/275583972.db2.gz MGTINCKYDQFPCM-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cnc(C)s1 ZINC000281993206 275594785 /nfs/dbraw/zinc/59/47/85/275594785.db2.gz PTJYWASVGLEORG-UHFFFAOYSA-N 0 0 336.373 3.080 10 5 EGBERN Cc1nc(N2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282012758 275596050 /nfs/dbraw/zinc/59/60/50/275596050.db2.gz VGLKOFPJIDKFGI-AWEZNQCLSA-N 0 0 341.415 3.215 10 5 EGBERN COCC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000284253620 275785711 /nfs/dbraw/zinc/78/57/11/275785711.db2.gz QABDYELXQXRGFS-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CC(C)n1ncnc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000285821590 275916673 /nfs/dbraw/zinc/91/66/73/275916673.db2.gz ZIQFSBCFDZPSFO-UHFFFAOYSA-N 0 0 329.282 3.398 10 5 EGBERN O=c1[nH]c(NCCOC2CCCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286648122 276027222 /nfs/dbraw/zinc/02/72/22/276027222.db2.gz CESLSWZRZMHRJR-UHFFFAOYSA-N 0 0 346.387 3.395 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000287085323 276081562 /nfs/dbraw/zinc/08/15/62/276081562.db2.gz UJAKUCYOUKSGRY-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN CCC[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000095392519 276289068 /nfs/dbraw/zinc/28/90/68/276289068.db2.gz BFJUKFCAUSOOOD-LBPRGKRZSA-N 0 0 330.388 3.238 10 5 EGBERN COC1(c2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)CCCC1 ZINC000289520413 276352111 /nfs/dbraw/zinc/35/21/11/276352111.db2.gz CETBTVLJXFMBJR-UHFFFAOYSA-N 0 0 333.344 3.281 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCc1nccs1 ZINC000289717360 276382741 /nfs/dbraw/zinc/38/27/41/276382741.db2.gz LCKXFXFQYWCNAG-UHFFFAOYSA-N 0 0 334.401 3.422 10 5 EGBERN CO[C@@](C)(C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000291711709 276680206 /nfs/dbraw/zinc/68/02/06/276680206.db2.gz LFHLQJYOWOSCRE-CYBMUJFWSA-N 0 0 343.177 3.111 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C3CC3)C2)cc1OC ZINC000291990678 276717659 /nfs/dbraw/zinc/71/76/59/276717659.db2.gz BERPJBLDMMMDIG-CYBMUJFWSA-N 0 0 348.399 3.264 10 5 EGBERN CO[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000299913809 277344148 /nfs/dbraw/zinc/34/41/48/277344148.db2.gz DWUMQAUSZGCRAY-RNCFNFMXSA-N 0 0 329.194 3.219 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000372889589 278327513 /nfs/dbraw/zinc/32/75/13/278327513.db2.gz URSUGDSFOGYXNO-VIFPVBQESA-N 0 0 332.385 3.004 10 5 EGBERN CCN(C)c1nc2ccccc2c2nnc(-c3ccccc3[N+](=O)[O-])n21 ZINC000102205910 279046661 /nfs/dbraw/zinc/04/66/61/279046661.db2.gz QWAFPDMZYVLMEK-UHFFFAOYSA-N 0 0 348.366 3.309 10 5 EGBERN C[C@H](NC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000341276582 279445121 /nfs/dbraw/zinc/44/51/21/279445121.db2.gz GBGNLCBJAKRHCI-RYUDHWBXSA-N 0 0 332.331 3.379 10 5 EGBERN CCOC(=O)c1ccnc(N2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000340804767 279638961 /nfs/dbraw/zinc/63/89/61/279638961.db2.gz UCJGAVGOOLJBAX-NSHDSACASA-N 0 0 327.340 3.248 10 5 EGBERN Cc1c(Br)c(N[C@H]2CCCCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000165801946 280199215 /nfs/dbraw/zinc/19/92/15/280199215.db2.gz BERWVVONSUWTKI-GXSJLCMTSA-N 0 0 344.209 3.166 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000355022457 280397499 /nfs/dbraw/zinc/39/74/99/280397499.db2.gz MPHPQHBKJOXPKY-LSDHHAIUSA-N 0 0 332.400 3.161 10 5 EGBERN CC(C)c1ccc([C@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000367402887 280625342 /nfs/dbraw/zinc/62/53/42/280625342.db2.gz MQNWPDSBJNPBME-OAHLLOKOSA-N 0 0 342.399 3.429 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000189942751 281284104 /nfs/dbraw/zinc/28/41/04/281284104.db2.gz KPVFDYKUXRJHHL-HNNXBMFYSA-N 0 0 326.352 3.465 10 5 EGBERN COc1ccc2c(c1)OCCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000374529551 295267666 /nfs/dbraw/zinc/26/76/66/295267666.db2.gz JKENGZRPMVJARV-UHFFFAOYSA-N 0 0 335.747 3.051 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000359098730 301203883 /nfs/dbraw/zinc/20/38/83/301203883.db2.gz BADMJGYZMFGREC-MRXNPFEDSA-N 0 0 326.400 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)n1 ZINC000178237731 301855919 /nfs/dbraw/zinc/85/59/19/301855919.db2.gz LKWJVHWONLNWPB-LRDDRELGSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000172488415 302042327 /nfs/dbraw/zinc/04/23/27/302042327.db2.gz UPBQUIIAEOJQJS-UHFFFAOYSA-N 0 0 344.392 3.144 10 5 EGBERN COc1cc(N[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000413599021 309039031 /nfs/dbraw/zinc/03/90/31/309039031.db2.gz DGHFSABSGQDLNA-CQSZACIVSA-N 0 0 331.347 3.433 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](CO)C2)nc1-c1ccc(F)cc1 ZINC000413617535 309039761 /nfs/dbraw/zinc/03/97/61/309039761.db2.gz TUYIOLFIGOGVPW-IUODEOHRSA-N 0 0 345.374 3.181 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2noc(Cc3ccccc3)n2)c(F)c1 ZINC000068050927 307368691 /nfs/dbraw/zinc/36/86/91/307368691.db2.gz ZJDCQGZSNQETTK-UHFFFAOYSA-N 0 0 329.287 3.287 10 5 EGBERN CN(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000089745962 307452029 /nfs/dbraw/zinc/45/20/29/307452029.db2.gz DKNFLXOETFWNIM-GFCCVEGCSA-N 0 0 333.369 3.179 10 5 EGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1F ZINC000090505989 307459564 /nfs/dbraw/zinc/45/95/64/307459564.db2.gz NYNRBARHVAUGNO-JTQLQIEISA-N 0 0 330.315 3.334 10 5 EGBERN COc1ccccc1CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120734652 307510638 /nfs/dbraw/zinc/51/06/38/307510638.db2.gz WZLCCVFNQZXBME-UHFFFAOYSA-N 0 0 342.395 3.155 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000122789960 307532940 /nfs/dbraw/zinc/53/29/40/307532940.db2.gz GCQMRZFNXJYEBN-HIFRSBDPSA-N 0 0 345.330 3.420 10 5 EGBERN CC(C)Cn1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000124858508 307551660 /nfs/dbraw/zinc/55/16/60/307551660.db2.gz SEXWSGFKRWVROV-UHFFFAOYSA-N 0 0 343.387 3.038 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000135362376 307701463 /nfs/dbraw/zinc/70/14/63/307701463.db2.gz KXXULNFZSUQNGN-UHFFFAOYSA-N 0 0 332.331 3.161 10 5 EGBERN Cc1nn(C[C@H](O)Cc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000152721236 307758303 /nfs/dbraw/zinc/75/83/03/307758303.db2.gz JJZQGBBAMZDGDK-GFCCVEGCSA-N 0 0 343.305 3.031 10 5 EGBERN Cc1sc(C(=O)Nc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000155809261 307821343 /nfs/dbraw/zinc/82/13/43/307821343.db2.gz QBPGLMPDLLXFHD-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000162409939 307912703 /nfs/dbraw/zinc/91/27/03/307912703.db2.gz VHQGDSJICCJMBT-CYBMUJFWSA-N 0 0 326.352 3.295 10 5 EGBERN COC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000170749379 307935110 /nfs/dbraw/zinc/93/51/10/307935110.db2.gz HQJFBJAXPSMODP-OAHLLOKOSA-N 0 0 345.355 3.113 10 5 EGBERN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171173861 307942844 /nfs/dbraw/zinc/94/28/44/307942844.db2.gz PMDMNZIZJNIJDL-HNNXBMFYSA-N 0 0 327.384 3.439 10 5 EGBERN O=C(NC/C=C\c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000255331933 308046861 /nfs/dbraw/zinc/04/68/61/308046861.db2.gz DKQHWVPDUZLLOL-DAXSKMNVSA-N 0 0 348.362 3.224 10 5 EGBERN C[C@@]12CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000293681021 308152485 /nfs/dbraw/zinc/15/24/85/308152485.db2.gz OQWUECDPLYQAEF-DZGCQCFKSA-N 0 0 335.310 3.193 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000293780775 308161332 /nfs/dbraw/zinc/16/13/32/308161332.db2.gz BBOAGXAZBFVLMJ-UHFFFAOYSA-N 0 0 331.372 3.309 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000294528253 308229221 /nfs/dbraw/zinc/22/92/21/308229221.db2.gz ZFHHTPRWXZZNMV-CYBMUJFWSA-N 0 0 344.342 3.030 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294569534 308233424 /nfs/dbraw/zinc/23/34/24/308233424.db2.gz MUIUHYDMLSZZLS-SJORKVTESA-N 0 0 332.400 3.291 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000294996782 308279987 /nfs/dbraw/zinc/27/99/87/308279987.db2.gz UOTRMJBMNYEDGH-RNCFNFMXSA-N 0 0 346.305 3.111 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](C)(F)C1 ZINC000295216961 308303855 /nfs/dbraw/zinc/30/38/55/308303855.db2.gz BFXJCDUBMMIEJT-IAQYHMDHSA-N 0 0 326.393 3.426 10 5 EGBERN CCn1cc([C@H](C)Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000295488648 308331706 /nfs/dbraw/zinc/33/17/06/308331706.db2.gz AHXCGQGUDLCBPR-VFFGBVLKSA-N 0 0 344.371 3.171 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295666759 308348921 /nfs/dbraw/zinc/34/89/21/308348921.db2.gz WPIKKFSVIDJPBI-CQSZACIVSA-N 0 0 332.278 3.160 10 5 EGBERN C[C@]1(F)CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295772331 308358370 /nfs/dbraw/zinc/35/83/70/308358370.db2.gz PGNXUWGBUDYBQD-HNNXBMFYSA-N 0 0 344.770 3.368 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000295859242 308367932 /nfs/dbraw/zinc/36/79/32/308367932.db2.gz DXKVMMRGJPQOLC-IUCAKERBSA-N 0 0 348.325 3.244 10 5 EGBERN CCc1ccc([C@@H]2COCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000297521151 308541630 /nfs/dbraw/zinc/54/16/30/308541630.db2.gz OLNVOAUNHZEEMX-HNNXBMFYSA-N 0 0 342.355 3.204 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000299590446 308680548 /nfs/dbraw/zinc/68/05/48/308680548.db2.gz CZJXROIRWYUMDT-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@H]3COc4ccccc4O3)ccc2c1 ZINC000301108825 308688506 /nfs/dbraw/zinc/68/85/06/308688506.db2.gz XEDJKDDSDIURNB-AWEZNQCLSA-N 0 0 337.335 3.395 10 5 EGBERN COc1ccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c(OC)c1 ZINC000301450753 308700903 /nfs/dbraw/zinc/70/09/03/308700903.db2.gz SXYCBLRNYQRCBY-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN Cc1nc(N[C@H]2CCN(c3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000301690991 308711036 /nfs/dbraw/zinc/71/10/36/308711036.db2.gz YOGKYSQANJFRMV-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN CS(=O)(=O)c1cc(NCc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000301773356 308714712 /nfs/dbraw/zinc/71/47/12/308714712.db2.gz FJFQOPNEMFZAFA-UHFFFAOYSA-N 0 0 346.364 3.357 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000301807503 308716194 /nfs/dbraw/zinc/71/61/94/308716194.db2.gz YTUAZRGSMLAQJL-VHSXEESVSA-N 0 0 342.779 3.404 10 5 EGBERN CCOc1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301951118 308722918 /nfs/dbraw/zinc/72/29/18/308722918.db2.gz ZZLUWNYSLICGBB-NSHDSACASA-N 0 0 327.344 3.209 10 5 EGBERN COc1cc(Nc2ccc3c(c2)N(C)CC3)c([N+](=O)[O-])cc1OC ZINC000301991054 308724495 /nfs/dbraw/zinc/72/44/95/308724495.db2.gz FVNLSVKSOHJICB-UHFFFAOYSA-N 0 0 329.356 3.348 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC1CCN(c2cccs2)CC1 ZINC000302039861 308726473 /nfs/dbraw/zinc/72/64/73/308726473.db2.gz NFIXCLILIPDWJR-UHFFFAOYSA-N 0 0 333.413 3.230 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000302068179 308727922 /nfs/dbraw/zinc/72/79/22/308727922.db2.gz WWQIQBUDCALZRQ-SJKOYZFVSA-N 0 0 333.388 3.183 10 5 EGBERN CS(=O)(=O)c1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000302134786 308730142 /nfs/dbraw/zinc/73/01/42/308730142.db2.gz HQPACTJKNQWVMQ-UHFFFAOYSA-N 0 0 346.408 3.167 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCCCc1cc[nH]n1 ZINC000302786959 308745682 /nfs/dbraw/zinc/74/56/82/308745682.db2.gz WNDZLUIJZITECA-UHFFFAOYSA-N 0 0 325.166 3.125 10 5 EGBERN CC(C)C(CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(C)C ZINC000302825620 308747222 /nfs/dbraw/zinc/74/72/22/308747222.db2.gz MLSXXNNOCOMACZ-UHFFFAOYSA-N 0 0 328.434 3.338 10 5 EGBERN NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000330537205 308796103 /nfs/dbraw/zinc/79/61/03/308796103.db2.gz XCPKBQJAGUHFKN-VIFPVBQESA-N 0 0 325.752 3.168 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C2(O)CCSCC2)cc1[N+](=O)[O-] ZINC000330639416 308797069 /nfs/dbraw/zinc/79/70/69/308797069.db2.gz WJDCPKXSFJVQOY-UHFFFAOYSA-N 0 0 338.429 3.089 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000334010698 308873757 /nfs/dbraw/zinc/87/37/57/308873757.db2.gz PEJMUGDTWDVVEE-WCQYABFASA-N 0 0 335.404 3.175 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000357400516 308891703 /nfs/dbraw/zinc/89/17/03/308891703.db2.gz MXMAQYJMCPTKMJ-MFKMUULPSA-N 0 0 330.306 3.327 10 5 EGBERN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c(C)c(OC)c1 ZINC000410368013 308916572 /nfs/dbraw/zinc/91/65/72/308916572.db2.gz SLBBMBPUFNNGSF-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000411547578 308943704 /nfs/dbraw/zinc/94/37/04/308943704.db2.gz DHCFMSQYEDTUDU-KBXCAEBGSA-N 0 0 344.342 3.105 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000412457079 308987192 /nfs/dbraw/zinc/98/71/92/308987192.db2.gz JKENFAUAXKUURG-MAUKXSAKSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1sc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000412729639 309000266 /nfs/dbraw/zinc/00/02/66/309000266.db2.gz MFNKYPUGWDPANA-GFCCVEGCSA-N 0 0 345.380 3.168 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413046527 309013249 /nfs/dbraw/zinc/01/32/49/309013249.db2.gz PVFYTMBTTGDBRP-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CO[C@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000413255299 309023672 /nfs/dbraw/zinc/02/36/72/309023672.db2.gz HLXALVGFBITMSN-MRVPVSSYSA-N 0 0 347.215 3.388 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@H]1c1ccc(Br)cn1 ZINC000413368969 309029146 /nfs/dbraw/zinc/02/91/46/309029146.db2.gz FSUBOWNPMWQKAK-LBPRGKRZSA-N 0 0 349.188 3.489 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H]1O ZINC000413413705 309031034 /nfs/dbraw/zinc/03/10/34/309031034.db2.gz GOXFQLUJCXYBTP-OCCSQVGLSA-N 0 0 338.360 3.481 10 5 EGBERN CS(=O)(=O)c1ccc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000413447862 309032436 /nfs/dbraw/zinc/03/24/36/309032436.db2.gz QAXMEVNILBZCHA-UHFFFAOYSA-N 0 0 348.371 3.234 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCc2ccccc2O1 ZINC000414864009 309106263 /nfs/dbraw/zinc/10/62/63/309106263.db2.gz CJYDJRUTIXHJTF-XIKOKIGWSA-N 0 0 338.363 3.266 10 5 EGBERN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC1(C)C ZINC000416087029 309157909 /nfs/dbraw/zinc/15/79/09/309157909.db2.gz WYTNOKYDHJIBTQ-RISCZKNCSA-N 0 0 326.343 3.356 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416597780 309174560 /nfs/dbraw/zinc/17/45/60/309174560.db2.gz SISBGDUVENIJPJ-BLLLJJGKSA-N 0 0 332.381 3.199 10 5 EGBERN COC(=O)c1cc(N[C@H]2COCc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000418981241 309259113 /nfs/dbraw/zinc/25/91/13/309259113.db2.gz BBGRGQGWIKXWCC-INIZCTEOSA-N 0 0 342.351 3.373 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000419032046 309259737 /nfs/dbraw/zinc/25/97/37/309259737.db2.gz VXYNCQNORQQUQY-GFCCVEGCSA-N 0 0 346.362 3.067 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSC[C@H]2COCCO2)c1 ZINC000419561359 309269568 /nfs/dbraw/zinc/26/95/68/309269568.db2.gz SEFYCROMRHWCAI-LLVKDONJSA-N 0 0 337.319 3.262 10 5 EGBERN Cc1nn(C)c(N2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000420619779 309290395 /nfs/dbraw/zinc/29/03/95/309290395.db2.gz PPVKNZMKNDHLSW-UHFFFAOYSA-N 0 0 337.177 3.093 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000420622395 309290531 /nfs/dbraw/zinc/29/05/31/309290531.db2.gz DBBZEJHZMREPOK-CZUORRHYSA-N 0 0 341.367 3.026 10 5 EGBERN CC[C@@H]1C[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623369 309290595 /nfs/dbraw/zinc/29/05/95/309290595.db2.gz VBIUHHKMKWRKPV-GDBMZVCRSA-N 0 0 342.399 3.152 10 5 EGBERN C[C@@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000421546617 309329241 /nfs/dbraw/zinc/32/92/41/309329241.db2.gz WPBMJFLYLHUHAA-JTQLQIEISA-N 0 0 335.104 3.341 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421672630 309334068 /nfs/dbraw/zinc/33/40/68/309334068.db2.gz VBORJTAFBYIOOB-GHMZBOCLSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000421922874 309346513 /nfs/dbraw/zinc/34/65/13/309346513.db2.gz UVNYPAFOMVLVPV-NSHDSACASA-N 0 0 345.424 3.339 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@H](CC)O[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000421959071 309348085 /nfs/dbraw/zinc/34/80/85/309348085.db2.gz SGVPBBRSJHIHTB-KBPBESRZSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CCO)CC1 ZINC000422069010 309353875 /nfs/dbraw/zinc/35/38/75/309353875.db2.gz HPGCJPOVEFGMPF-LBPRGKRZSA-N 0 0 340.807 3.181 10 5 EGBERN COC(=O)c1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000425275712 309471060 /nfs/dbraw/zinc/47/10/60/309471060.db2.gz UHBYKYQBLNMEHE-ZCFIWIBFSA-N 0 0 342.764 3.059 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427252323 309525906 /nfs/dbraw/zinc/52/59/06/309525906.db2.gz GPMSIJZDNFHUOK-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1cc(OCC(=O)NCc2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000430806048 309618229 /nfs/dbraw/zinc/61/82/29/309618229.db2.gz KNWZKYRSJPPVEO-UHFFFAOYSA-N 0 0 340.379 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CO)CC3(CCC3)C2)c2ncccc12 ZINC000432829146 309670105 /nfs/dbraw/zinc/67/01/05/309670105.db2.gz OKYGCUOBADWGHD-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1F ZINC000434013330 309702771 /nfs/dbraw/zinc/70/27/71/309702771.db2.gz BPBPRNOSWCGSFU-SNVBAGLBSA-N 0 0 334.351 3.380 10 5 EGBERN Cn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc21 ZINC000435523957 309734289 /nfs/dbraw/zinc/73/42/89/309734289.db2.gz CEMFWKJOPFYPMC-UHFFFAOYSA-N 0 0 327.315 3.156 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000435626369 309736825 /nfs/dbraw/zinc/73/68/25/309736825.db2.gz JEEFPXHXEXCZNI-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000435651252 309737167 /nfs/dbraw/zinc/73/71/67/309737167.db2.gz QOCYBXZRVMCCSJ-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CO[C@H]1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438933885 309822622 /nfs/dbraw/zinc/82/26/22/309822622.db2.gz GLLMGQJFTNJOII-MFKMUULPSA-N 0 0 326.780 3.102 10 5 EGBERN C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000442784339 309887012 /nfs/dbraw/zinc/88/70/12/309887012.db2.gz VMUAZEQWTVLVKQ-CYBMUJFWSA-N 0 0 342.461 3.477 10 5 EGBERN CCCC[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443757159 309907709 /nfs/dbraw/zinc/90/77/09/309907709.db2.gz AXSFSSJVKLAAEN-HOCLYGCPSA-N 0 0 340.445 3.373 10 5 EGBERN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000444486631 309920596 /nfs/dbraw/zinc/92/05/96/309920596.db2.gz ZMVZHPFWKMWUPL-UHFFFAOYSA-N 0 0 329.356 3.260 10 5 EGBERN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000444673065 309925225 /nfs/dbraw/zinc/92/52/25/309925225.db2.gz MHWOBWZTJDQFPI-SNVBAGLBSA-N 0 0 340.339 3.051 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448864226 310021475 /nfs/dbraw/zinc/02/14/75/310021475.db2.gz IBYAUAJCGHDKCW-UHFFFAOYSA-N 0 0 344.371 3.049 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000450442351 310123131 /nfs/dbraw/zinc/12/31/31/310123131.db2.gz SRROKRONZJMDLW-OAHLLOKOSA-N 0 0 343.383 3.355 10 5 EGBERN CCOC(=O)c1sc(Sc2ccc([N+](=O)[O-])nc2)nc1C ZINC000450638085 310134330 /nfs/dbraw/zinc/13/43/30/310134330.db2.gz IITFSEFYMLORBT-UHFFFAOYSA-N 0 0 325.371 3.083 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000450685629 310137271 /nfs/dbraw/zinc/13/72/71/310137271.db2.gz SVGZSXIRFLGVQX-YRGRVCCFSA-N 0 0 325.796 3.163 10 5 EGBERN CNC(=O)c1ccc(N2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000450865405 310146720 /nfs/dbraw/zinc/14/67/20/310146720.db2.gz VWAWNWHZDFFJFU-INIZCTEOSA-N 0 0 341.367 3.279 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@]2(CCOC2)C1 ZINC000450887455 310147914 /nfs/dbraw/zinc/14/79/14/310147914.db2.gz YVWHEHAILGVUDG-AWEZNQCLSA-N 0 0 341.205 3.364 10 5 EGBERN CCc1cc(CCCn2cc([N+](=O)[O-])c(=O)c3ccccc32)on1 ZINC000450965867 310152556 /nfs/dbraw/zinc/15/25/56/310152556.db2.gz IIBTYRHDTXRFAZ-UHFFFAOYSA-N 0 0 327.340 3.093 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451199261 310165419 /nfs/dbraw/zinc/16/54/19/310165419.db2.gz QRCPSWSIRWDXEH-CYBMUJFWSA-N 0 0 330.384 3.349 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H](C2CC2)C1 ZINC000451782043 310197011 /nfs/dbraw/zinc/19/70/11/310197011.db2.gz AKIPNLQXKKMVHM-OAHLLOKOSA-N 0 0 340.383 3.043 10 5 EGBERN CC(C)[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000451913012 310203547 /nfs/dbraw/zinc/20/35/47/310203547.db2.gz VXDDVAOEDJDNPC-JKSUJKDBSA-N 0 0 340.445 3.037 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452180148 310217215 /nfs/dbraw/zinc/21/72/15/310217215.db2.gz BQSGHEPEEPJLOE-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(NCCCC1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452203326 310218525 /nfs/dbraw/zinc/21/85/25/310218525.db2.gz BHKHQQQTTMKFAM-UHFFFAOYSA-N 0 0 332.356 3.278 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000452822901 310243732 /nfs/dbraw/zinc/24/37/32/310243732.db2.gz QWVZICKNHFQSNZ-RHSMWYFYSA-N 0 0 348.443 3.440 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000452831924 310244264 /nfs/dbraw/zinc/24/42/64/310244264.db2.gz AHFOVRVHGRTEMR-PBHICJAKSA-N 0 0 346.427 3.364 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)n1 ZINC000452867972 310246632 /nfs/dbraw/zinc/24/66/32/310246632.db2.gz YIJPPUAJXLIOLY-HNNXBMFYSA-N 0 0 340.383 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCCO3)n2)c2c1NCCC2 ZINC000453228299 310265304 /nfs/dbraw/zinc/26/53/04/310265304.db2.gz BUCPBOHZTTUGGR-CYBMUJFWSA-N 0 0 330.344 3.245 10 5 EGBERN Cc1ccc(NC(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000454141915 310294366 /nfs/dbraw/zinc/29/43/66/310294366.db2.gz HLLXJMHIXMOKHE-HNNXBMFYSA-N 0 0 333.388 3.326 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000454146766 310294567 /nfs/dbraw/zinc/29/45/67/310294567.db2.gz MKZBVARARCHTNO-XHSDSOJGSA-N 0 0 333.388 3.142 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000454295654 310302006 /nfs/dbraw/zinc/30/20/06/310302006.db2.gz FTRRMGYCLURCJC-QWHCGFSZSA-N 0 0 335.404 3.324 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000454624188 310320696 /nfs/dbraw/zinc/32/06/96/310320696.db2.gz VTMYEPSHFSOVMX-LBPRGKRZSA-N 0 0 346.387 3.404 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC1CC(F)(F)C1 ZINC000455156294 310347783 /nfs/dbraw/zinc/34/77/83/310347783.db2.gz DHRDOGDZKATQGX-UHFFFAOYSA-N 0 0 329.303 3.160 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@@H](C)C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000455279454 310353657 /nfs/dbraw/zinc/35/36/57/310353657.db2.gz VHFDHIUXIAZRPQ-NSHDSACASA-N 0 0 349.387 3.390 10 5 EGBERN CCn1ccnc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455417550 310359662 /nfs/dbraw/zinc/35/96/62/310359662.db2.gz QIHRYSIJMKYRHC-UHFFFAOYSA-N 0 0 345.403 3.430 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(CF)CCOCC1 ZINC000455460719 310361665 /nfs/dbraw/zinc/36/16/65/310361665.db2.gz IBRCYDSPKCZDNK-UHFFFAOYSA-N 0 0 339.367 3.045 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000456155441 310391053 /nfs/dbraw/zinc/39/10/53/310391053.db2.gz YADYIHCITRAKSX-GWCFXTLKSA-N 0 0 326.780 3.054 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000456163222 310391366 /nfs/dbraw/zinc/39/13/66/310391366.db2.gz WTHOYEYPYIPZJY-LLVKDONJSA-N 0 0 328.315 3.159 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456234125 310394270 /nfs/dbraw/zinc/39/42/70/310394270.db2.gz BHCBWVHBAHOVJE-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456238793 310394540 /nfs/dbraw/zinc/39/45/40/310394540.db2.gz BASVTIUITFQCHT-WMLDXEAASA-N 0 0 330.384 3.254 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(CC)o1 ZINC000456496407 310409095 /nfs/dbraw/zinc/40/90/95/310409095.db2.gz VMRRSKIBLCPRGC-UHFFFAOYSA-N 0 0 335.385 3.187 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1(C2CCC2)CCC1 ZINC000457908037 310477562 /nfs/dbraw/zinc/47/75/62/310477562.db2.gz XUOJIXMYYPPNNO-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458145315 310488097 /nfs/dbraw/zinc/48/80/97/310488097.db2.gz UQPOABFIKKEKQG-WFASDCNBSA-N 0 0 328.315 3.361 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1(C2CCC2)CCC1 ZINC000458221964 310492625 /nfs/dbraw/zinc/49/26/25/310492625.db2.gz USUHPODBTLKRTD-UHFFFAOYSA-N 0 0 330.384 3.397 10 5 EGBERN CCc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)oc1CC ZINC000470894292 310729492 /nfs/dbraw/zinc/72/94/92/310729492.db2.gz FMJBEQZPEGMYNC-UHFFFAOYSA-N 0 0 344.367 3.216 10 5 EGBERN CCc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000473499070 310775974 /nfs/dbraw/zinc/77/59/74/310775974.db2.gz RSEGIKKDSSRULS-UHFFFAOYSA-N 0 0 334.322 3.408 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1O ZINC000473517187 310776121 /nfs/dbraw/zinc/77/61/21/310776121.db2.gz HGWRTPPFXCRZPY-CZUORRHYSA-N 0 0 329.400 3.376 10 5 EGBERN COC(=O)c1cc(NC[C@@H](O)C2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000474784405 310799353 /nfs/dbraw/zinc/79/93/53/310799353.db2.gz LANNFZKZRLKZFP-OAHLLOKOSA-N 0 0 336.388 3.043 10 5 EGBERN COC(=O)c1cc(NCCOCc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474786428 310799355 /nfs/dbraw/zinc/79/93/55/310799355.db2.gz SCFBOBYKTUGCEL-UHFFFAOYSA-N 0 0 344.367 3.319 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000476125155 310822668 /nfs/dbraw/zinc/82/26/68/310822668.db2.gz ABYCRXQZIKISIA-HNNXBMFYSA-N 0 0 326.352 3.384 10 5 EGBERN CC(=O)c1ccc(Nc2ccc3c(c2)N(C)CCO3)c([N+](=O)[O-])c1 ZINC000484909893 310971453 /nfs/dbraw/zinc/97/14/53/310971453.db2.gz AWMGHHUVRMSLGB-UHFFFAOYSA-N 0 0 327.340 3.370 10 5 EGBERN CC(C)[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487397605 311021776 /nfs/dbraw/zinc/02/17/76/311021776.db2.gz URMYNNMKEPGMIP-LLVKDONJSA-N 0 0 326.343 3.310 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000487455802 311024168 /nfs/dbraw/zinc/02/41/68/311024168.db2.gz PIGFBPQDIQJVOD-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793296 311080174 /nfs/dbraw/zinc/08/01/74/311080174.db2.gz IMFNXBTZEONARP-CHWSQXEVSA-N 0 0 326.418 3.088 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000488798383 311080458 /nfs/dbraw/zinc/08/04/58/311080458.db2.gz OGOFUDLGXDDZGC-NSHDSACASA-N 0 0 344.408 3.323 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)ccc2[nH]1 ZINC000488919918 311085027 /nfs/dbraw/zinc/08/50/27/311085027.db2.gz QBSHACRVACCREN-UHFFFAOYSA-N 0 0 344.302 3.018 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1 ZINC000488944569 311086041 /nfs/dbraw/zinc/08/60/41/311086041.db2.gz MMTFIBCYSQDQLM-NSHDSACASA-N 0 0 327.331 3.091 10 5 EGBERN CCCC(C)(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000492151071 311221685 /nfs/dbraw/zinc/22/16/85/311221685.db2.gz LCWBHHMKDFMMQS-UHFFFAOYSA-N 0 0 333.432 3.460 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2C1 ZINC000497534245 311861787 /nfs/dbraw/zinc/86/17/87/311861787.db2.gz PSMOPSGVSSMRLT-HNNXBMFYSA-N 0 0 342.420 3.361 10 5 EGBERN COc1c(C(=O)NCCc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000501972484 311957171 /nfs/dbraw/zinc/95/71/71/311957171.db2.gz GZJDSSCZOUEQAY-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)C2)C1 ZINC000508958508 312106284 /nfs/dbraw/zinc/10/62/84/312106284.db2.gz AHUVUEBMNPLMPZ-SCLBCKFNSA-N 0 0 341.415 3.407 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)c(F)cc21 ZINC000512601691 312189964 /nfs/dbraw/zinc/18/99/64/312189964.db2.gz JDNFYCDVACPOKV-UHFFFAOYSA-N 0 0 347.321 3.188 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000515870029 312301645 /nfs/dbraw/zinc/30/16/45/312301645.db2.gz QJHZKKUDJQISJI-CYBMUJFWSA-N 0 0 347.371 3.004 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000517274640 312373196 /nfs/dbraw/zinc/37/31/96/312373196.db2.gz HNCFCQFUXUOCMI-AWEZNQCLSA-N 0 0 329.404 3.026 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000517351910 312375981 /nfs/dbraw/zinc/37/59/81/312375981.db2.gz ZFHODIKKAINSQQ-AWEZNQCLSA-N 0 0 335.404 3.058 10 5 EGBERN CCCCCC(=O)NC1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000522015317 312570953 /nfs/dbraw/zinc/57/09/53/312570953.db2.gz WMBZNMTUPLRRET-UHFFFAOYSA-N 0 0 349.431 3.269 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000522048848 312571908 /nfs/dbraw/zinc/57/19/08/312571908.db2.gz CYVCFVHPNAIFOX-MLGOLLRUSA-N 0 0 346.408 3.115 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523727886 312631036 /nfs/dbraw/zinc/63/10/36/312631036.db2.gz SGYXAFURHHNKMK-UHFFFAOYSA-N 0 0 334.397 3.427 10 5 EGBERN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531636375 313694011 /nfs/dbraw/zinc/69/40/11/313694011.db2.gz IJLHRJUJJTYBOC-OAHLLOKOSA-N 0 0 327.384 3.473 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](CO)c2cccc(F)c2)ccc2ncccc21 ZINC000535007759 314012121 /nfs/dbraw/zinc/01/21/21/314012121.db2.gz ZRSSTDHHTIAWQQ-INIZCTEOSA-N 0 0 327.315 3.428 10 5 EGBERN CCOC(=O)CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696250 314139071 /nfs/dbraw/zinc/13/90/71/314139071.db2.gz YHHHDJWCCJKHET-VQHVLOKHSA-N 0 0 332.400 3.416 10 5 EGBERN C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000538683391 314263889 /nfs/dbraw/zinc/26/38/89/314263889.db2.gz SRGRSWIFDGQIQG-ZDUSSCGKSA-N 0 0 325.368 3.068 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc(N(C)C)c2C)cc1[N+](=O)[O-] ZINC000540551627 314388980 /nfs/dbraw/zinc/38/89/80/314388980.db2.gz OYFYVZPOGBHSTD-UHFFFAOYSA-N 0 0 343.383 3.159 10 5 EGBERN COc1ccc(OCc2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000544986763 314727940 /nfs/dbraw/zinc/72/79/40/314727940.db2.gz DUMFPTBFFOVRLM-UHFFFAOYSA-N 0 0 341.323 3.156 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nccn2c1C ZINC000545251340 314748564 /nfs/dbraw/zinc/74/85/64/314748564.db2.gz HCQIDEOQBXWDOX-UHFFFAOYSA-N 0 0 346.368 3.263 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000548751272 315042632 /nfs/dbraw/zinc/04/26/32/315042632.db2.gz PTLNRQPMWKTFFJ-KSSFIOAISA-N 0 0 331.416 3.359 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000549286372 315085567 /nfs/dbraw/zinc/08/55/67/315085567.db2.gz WGLKGMSRYXCLOO-RBSFLKMASA-N 0 0 336.779 3.275 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@](C)(CC)C1 ZINC000549355161 315088165 /nfs/dbraw/zinc/08/81/65/315088165.db2.gz HLTGQBAUJWSSHF-QGZVFWFLSA-N 0 0 329.404 3.500 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000551854904 315172038 /nfs/dbraw/zinc/17/20/38/315172038.db2.gz NRDKVMVUEOBRRX-MRXNPFEDSA-N 0 0 343.383 3.092 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1CCO[C@H](COc2ccccc2)C1 ZINC000553582882 315271441 /nfs/dbraw/zinc/27/14/41/315271441.db2.gz FCMYVRNIZDGAMT-AWEZNQCLSA-N 0 0 332.331 3.018 10 5 EGBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000554696797 315343107 /nfs/dbraw/zinc/34/31/07/315343107.db2.gz CNYRDGYHKJBBLA-YVEFUNNKSA-N 0 0 343.358 3.335 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000556396426 315433038 /nfs/dbraw/zinc/43/30/38/315433038.db2.gz WIFLLYIFDMBILU-GRDNDAEWSA-N 0 0 334.416 3.266 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000560427705 315687389 /nfs/dbraw/zinc/68/73/89/315687389.db2.gz UZYHVBZELMUDCL-KRWDZBQOSA-N 0 0 341.367 3.148 10 5 EGBERN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])nc1 ZINC000563836450 316076687 /nfs/dbraw/zinc/07/66/87/316076687.db2.gz RONUFMWOAHLRIQ-UHFFFAOYSA-N 0 0 337.383 3.449 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@H](c2cccc(F)c2)C1 ZINC000564468674 316157323 /nfs/dbraw/zinc/15/73/23/316157323.db2.gz IPQKIBNLPWNCBS-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN CC(C)(C)OC(=O)CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000564998422 316244573 /nfs/dbraw/zinc/24/45/73/316244573.db2.gz YCGSUMZGTUIPCU-UHFFFAOYSA-N 0 0 334.372 3.435 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000565965954 316396092 /nfs/dbraw/zinc/39/60/92/316396092.db2.gz KNTCOJANLNVAJX-SFHVURJKSA-N 0 0 336.432 3.176 10 5 EGBERN COc1ccccc1CCN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565985130 316397760 /nfs/dbraw/zinc/39/77/60/316397760.db2.gz JTWYLKBTWCRKRL-CQSZACIVSA-N 0 0 342.395 3.408 10 5 EGBERN O=C([C@@H]1CCCC[C@@H]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567590794 316640011 /nfs/dbraw/zinc/64/00/11/316640011.db2.gz CITKMHFIJDNYJS-HZPDHXFCSA-N 0 0 346.431 3.171 10 5 EGBERN O=C(C[C@@H]1C=CCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569847733 316972987 /nfs/dbraw/zinc/97/29/87/316972987.db2.gz HSNNAEUJVCCXOJ-CYBMUJFWSA-N 0 0 327.384 3.481 10 5 EGBERN CN(C)c1noc(COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000570402594 317050978 /nfs/dbraw/zinc/05/09/78/317050978.db2.gz ADPYTABWKNYVDT-UHFFFAOYSA-N 0 0 340.339 3.290 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000571791225 317248845 /nfs/dbraw/zinc/24/88/45/317248845.db2.gz FJPAJUFXDPBUMP-KRWDZBQOSA-N 0 0 344.411 3.325 10 5 EGBERN CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CCS1 ZINC000572381200 317332169 /nfs/dbraw/zinc/33/21/69/317332169.db2.gz FLIYZLBRNOYMAI-AWEZNQCLSA-N 0 0 347.444 3.205 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000574892569 317647721 /nfs/dbraw/zinc/64/77/21/317647721.db2.gz SSBFXGCITCTIBP-GFCCVEGCSA-N 0 0 345.252 3.106 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000277974395 455724028 /nfs/dbraw/zinc/72/40/28/455724028.db2.gz LUMLKHJBWPOAGJ-ZYHUDNBSSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])s3)c21 ZINC000171346996 323231020 /nfs/dbraw/zinc/23/10/20/323231020.db2.gz UMJPEDMZQNCUBZ-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720099 323248455 /nfs/dbraw/zinc/24/84/55/323248455.db2.gz XAHJBKNYNIOKOO-INIZCTEOSA-N 0 0 335.404 3.086 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175394794 323317917 /nfs/dbraw/zinc/31/79/17/323317917.db2.gz DNUGJTHFZXBTGO-QGZVFWFLSA-N 0 0 342.399 3.370 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175394776 323318195 /nfs/dbraw/zinc/31/81/95/323318195.db2.gz DNUGJTHFZXBTGO-KRWDZBQOSA-N 0 0 342.399 3.370 10 5 EGBERN Cc1nc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc12 ZINC000176644323 323332290 /nfs/dbraw/zinc/33/22/90/323332290.db2.gz RTODTMMTUCDTCC-UHFFFAOYSA-N 0 0 346.350 3.153 10 5 EGBERN CCOc1cc(NCc2ccc(C(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000178227247 323353825 /nfs/dbraw/zinc/35/38/25/323353825.db2.gz NZFWWCIHLLOPOQ-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000181411378 323481478 /nfs/dbraw/zinc/48/14/78/323481478.db2.gz XGAWTLJEXXWLAH-UHFFFAOYSA-N 0 0 345.403 3.008 10 5 EGBERN CO[C@](C)(c1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000351120587 324173841 /nfs/dbraw/zinc/17/38/41/324173841.db2.gz HGEFVOSXEKBCLD-KRWDZBQOSA-N 0 0 345.355 3.065 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CC2CCC1CC2 ZINC000381947507 324248982 /nfs/dbraw/zinc/24/89/82/324248982.db2.gz RRGOHSBBOOOHJT-ZUYNKMSQSA-N 0 0 335.379 3.261 10 5 EGBERN COC(=O)c1cc(NC(=O)CSC(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000276728370 456562170 /nfs/dbraw/zinc/56/21/70/456562170.db2.gz CFMXHGFQEKJQOM-UHFFFAOYSA-N 0 0 340.401 3.160 10 5 EGBERN Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000575970671 324519349 /nfs/dbraw/zinc/51/93/49/324519349.db2.gz BRIGQEKUBKOVAQ-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)Oc1nc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000576598199 324647170 /nfs/dbraw/zinc/64/71/70/324647170.db2.gz HNLJAVMKDVWYQE-RISCZKNCSA-N 0 0 327.331 3.259 10 5 EGBERN COCC[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000577527703 324823631 /nfs/dbraw/zinc/82/36/31/324823631.db2.gz AENXQESUAKFBBQ-CQSZACIVSA-N 0 0 337.420 3.420 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCCOCC2CCC2)cc1[N+](=O)[O-] ZINC000579903542 325172574 /nfs/dbraw/zinc/17/25/74/325172574.db2.gz RXDFUNMNBLMOGQ-UHFFFAOYSA-N 0 0 334.416 3.439 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000580984797 325316473 /nfs/dbraw/zinc/31/64/73/325316473.db2.gz XMRCDPGZLHAXOG-UHFFFAOYSA-N 0 0 349.412 3.024 10 5 EGBERN C[C@H](C(=O)N1CCC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000581048725 325324182 /nfs/dbraw/zinc/32/41/82/325324182.db2.gz BSSDBQYQPRCRKL-LBPRGKRZSA-N 0 0 339.351 3.074 10 5 EGBERN Cc1oc2ncnc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2c1C ZINC000581168872 325336461 /nfs/dbraw/zinc/33/64/61/325336461.db2.gz GALNCRDBLIOINT-JTQLQIEISA-N 0 0 340.339 3.490 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000189593157 455221853 /nfs/dbraw/zinc/22/18/53/455221853.db2.gz AIXKVBWRBRZPDV-JTQLQIEISA-N 0 0 347.396 3.211 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000173165203 455241648 /nfs/dbraw/zinc/24/16/48/455241648.db2.gz QHQGLTUUEQCSNE-IAGOWNOFSA-N 0 0 346.427 3.334 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCc3ccccc3[N+](=O)[O-])cc2c1 ZINC000189812956 455243152 /nfs/dbraw/zinc/24/31/52/455243152.db2.gz CQIREWPTLGEBNK-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN CCc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1C ZINC000183286770 455270988 /nfs/dbraw/zinc/27/09/88/455270988.db2.gz CZZAEDZKHKZARS-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN COc1cc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc(OC)c1OC ZINC000000100956 452505703 /nfs/dbraw/zinc/50/57/03/452505703.db2.gz JUGUCDBIOOLMTO-KRWDZBQOSA-N 0 0 343.335 3.464 10 5 EGBERN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1[N+](=O)[O-] ZINC000002621512 452707807 /nfs/dbraw/zinc/70/78/07/452707807.db2.gz HUPSIMIDYPTANR-UHFFFAOYSA-N 0 0 346.412 3.349 10 5 EGBERN COc1ccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000005208305 452846631 /nfs/dbraw/zinc/84/66/31/452846631.db2.gz MZMCXRYXWWJJEB-UHFFFAOYSA-N 0 0 332.312 3.361 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000005616574 452888712 /nfs/dbraw/zinc/88/87/12/452888712.db2.gz YMCVJINRJCDLLF-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CNc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000600695026 460570938 /nfs/dbraw/zinc/57/09/38/460570938.db2.gz LCZFYFQOLMRSPF-UHFFFAOYSA-N 0 0 345.321 3.489 10 5 EGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2ccccc21 ZINC000008562328 453215450 /nfs/dbraw/zinc/21/54/50/453215450.db2.gz MZVYEPMSSVVEPI-ZDUSSCGKSA-N 0 0 326.352 3.342 10 5 EGBERN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000174041733 455354055 /nfs/dbraw/zinc/35/40/55/455354055.db2.gz PDFWYICYZGVEGC-LRDDRELGSA-N 0 0 343.383 3.260 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600770595 460595753 /nfs/dbraw/zinc/59/57/53/460595753.db2.gz ALTTXRFCCGVLDJ-GFCCVEGCSA-N 0 0 332.381 3.300 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3CCCC[C@@]32C)c1 ZINC000600759211 460592441 /nfs/dbraw/zinc/59/24/41/460592441.db2.gz OTGWIHRXAJQPOH-KSSFIOAISA-N 0 0 332.400 3.463 10 5 EGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1-c1nccn1C ZINC000012747714 453396115 /nfs/dbraw/zinc/39/61/15/453396115.db2.gz HDTWDPHSNHAQCI-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015477668 453573799 /nfs/dbraw/zinc/57/37/99/453573799.db2.gz XCPCUFPNDCMPOZ-UHFFFAOYSA-N 0 0 334.372 3.485 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000015686205 453582794 /nfs/dbraw/zinc/58/27/94/453582794.db2.gz ZIGKYDNRACXPKQ-LBPRGKRZSA-N 0 0 342.351 3.181 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016685075 453619158 /nfs/dbraw/zinc/61/91/58/453619158.db2.gz BBROOHSSXDHYAB-GFCCVEGCSA-N 0 0 338.367 3.024 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(OC)cc1C ZINC000018083243 453643015 /nfs/dbraw/zinc/64/30/15/453643015.db2.gz HTFRCFKHZSWWIS-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000029005249 453825789 /nfs/dbraw/zinc/82/57/89/453825789.db2.gz GQYQCTMVDBRXBV-UHFFFAOYSA-N 0 0 348.742 3.249 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000029774117 453831406 /nfs/dbraw/zinc/83/14/06/453831406.db2.gz BYUXTSCEPYPDNO-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN Cc1cc(C2=CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc([N+](=O)[O-])c1N ZINC000075148107 453867316 /nfs/dbraw/zinc/86/73/16/453867316.db2.gz BGKYHOFYDHPBEA-OAHLLOKOSA-N 0 0 341.411 3.457 10 5 EGBERN COc1ccc(Cc2nnc(Sc3ccncc3[N+](=O)[O-])o2)cc1 ZINC000066797382 453874651 /nfs/dbraw/zinc/87/46/51/453874651.db2.gz VMRMQPMHCZVZJS-UHFFFAOYSA-N 0 0 344.352 3.123 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1ccc(N2CCCCCC2)nc1 ZINC000066809283 453875704 /nfs/dbraw/zinc/87/57/04/453875704.db2.gz BDJLGHSKHVOAQH-UHFFFAOYSA-N 0 0 327.388 3.377 10 5 EGBERN Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000032644125 453881046 /nfs/dbraw/zinc/88/10/46/453881046.db2.gz NEXJMIHDERTEBF-UHFFFAOYSA-N 0 0 332.360 3.155 10 5 EGBERN CNC(=O)c1ccc(Nc2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000053549127 453886683 /nfs/dbraw/zinc/88/66/83/453886683.db2.gz GKEMKNDTXHQISK-UHFFFAOYSA-N 0 0 345.355 3.024 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000067536841 453940118 /nfs/dbraw/zinc/94/01/18/453940118.db2.gz CUOOPMLYMZMZIY-LLVKDONJSA-N 0 0 347.346 3.303 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1nc2ccccc2s1 ZINC000055336321 453977149 /nfs/dbraw/zinc/97/71/49/453977149.db2.gz CWBFIHQZGBPHFD-UHFFFAOYSA-N 0 0 328.353 3.185 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000041867737 453982530 /nfs/dbraw/zinc/98/25/30/453982530.db2.gz WXDKPUFIQBYWAR-UHFFFAOYSA-N 0 0 332.263 3.026 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CCC3)nc1NC1CC1 ZINC000084459200 453990084 /nfs/dbraw/zinc/99/00/84/453990084.db2.gz RMFPQFXBEXOECK-UHFFFAOYSA-N 0 0 325.372 3.060 10 5 EGBERN C[C@H](Oc1cccnc1[N+](=O)[O-])c1nc(Cc2ccc(F)cc2)no1 ZINC000084667701 454004927 /nfs/dbraw/zinc/00/49/27/454004927.db2.gz ZKNVCHFUEWPCIE-JTQLQIEISA-N 0 0 344.302 3.243 10 5 EGBERN CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000056108546 454038785 /nfs/dbraw/zinc/03/87/85/454038785.db2.gz LKZCMAVXIUMBTI-JTQLQIEISA-N 0 0 340.426 3.258 10 5 EGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccccc1 ZINC000068769514 454051277 /nfs/dbraw/zinc/05/12/77/454051277.db2.gz NCKYYHGFMIMMIN-QGZVFWFLSA-N 0 0 348.362 3.360 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077329811 454092224 /nfs/dbraw/zinc/09/22/24/454092224.db2.gz FKUXMNRPSVWWAV-HNNXBMFYSA-N 0 0 340.335 3.301 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252717 454096296 /nfs/dbraw/zinc/09/62/96/454096296.db2.gz MOAYLNCXIQINOT-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000057150213 454105914 /nfs/dbraw/zinc/10/59/14/454105914.db2.gz WRUHCUIBNMVQLQ-UHFFFAOYSA-N 0 0 328.368 3.217 10 5 EGBERN COCCCOc1cc(C)ccc1CNc1ccncc1[N+](=O)[O-] ZINC000088744464 454118505 /nfs/dbraw/zinc/11/85/05/454118505.db2.gz DODKCPFRMPVVMZ-UHFFFAOYSA-N 0 0 331.372 3.326 10 5 EGBERN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cn2)cc1C ZINC000044799539 454119850 /nfs/dbraw/zinc/11/98/50/454119850.db2.gz MDSIOAZTECQBEF-CABCVRRESA-N 0 0 327.340 3.094 10 5 EGBERN COc1cccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1F ZINC000089236716 454129046 /nfs/dbraw/zinc/12/90/46/454129046.db2.gz HDOKRZZUFQQTAW-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN CNc1ccc(CNc2ccc(F)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000089785041 454198948 /nfs/dbraw/zinc/19/89/48/454198948.db2.gz URXSVBVEEHVRIS-UHFFFAOYSA-N 0 0 332.335 3.346 10 5 EGBERN O=C(NC1CC1)c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000078264120 454220322 /nfs/dbraw/zinc/22/03/22/454220322.db2.gz DJOZDTWHRVJFFX-UHFFFAOYSA-N 0 0 329.400 3.113 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1ccccc1O ZINC000119865815 454230364 /nfs/dbraw/zinc/23/03/64/454230364.db2.gz GGICPNYLUWHQHQ-UHFFFAOYSA-N 0 0 329.356 3.281 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000046222806 454231000 /nfs/dbraw/zinc/23/10/00/454231000.db2.gz DMWWZNCKOJQWRZ-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN COc1cc(NCCc2csc(N3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000078340463 454235430 /nfs/dbraw/zinc/23/54/30/454235430.db2.gz MHABXXGZZIHMFH-UHFFFAOYSA-N 0 0 348.428 3.315 10 5 EGBERN Cc1nn(CC(=O)OCC23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] ZINC000058817370 454235947 /nfs/dbraw/zinc/23/59/47/454235947.db2.gz OMJJIMXOWJWSJV-UHFFFAOYSA-N 0 0 347.415 3.168 10 5 EGBERN Cc1ccc(SCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])c1 ZINC000095973714 454244616 /nfs/dbraw/zinc/24/46/16/454244616.db2.gz INOYLKQPARSFMT-UHFFFAOYSA-N 0 0 327.365 3.203 10 5 EGBERN CCCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072064331 454270123 /nfs/dbraw/zinc/27/01/23/454270123.db2.gz KVWMLMMXMQFCNQ-UHFFFAOYSA-N 0 0 343.383 3.407 10 5 EGBERN Cc1cnc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000078659077 454293669 /nfs/dbraw/zinc/29/36/69/454293669.db2.gz TZSFJBBJGYMUIM-ZDUSSCGKSA-N 0 0 327.340 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000184708355 455433539 /nfs/dbraw/zinc/43/35/39/455433539.db2.gz KBXSTUWVEBMOJW-UHFFFAOYSA-N 0 0 328.368 3.061 10 5 EGBERN COC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000072554315 454308566 /nfs/dbraw/zinc/30/85/66/454308566.db2.gz WBHOYBXILFVNFI-OAHLLOKOSA-N 0 0 332.331 3.160 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCO2 ZINC000090477324 454310788 /nfs/dbraw/zinc/31/07/88/454310788.db2.gz VQCSTBJRTMRVDD-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN COC(=O)CCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047013098 454318482 /nfs/dbraw/zinc/31/84/82/454318482.db2.gz HKLIJMPMFCORKJ-UHFFFAOYSA-N 0 0 343.767 3.103 10 5 EGBERN COc1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000133228673 454403507 /nfs/dbraw/zinc/40/35/07/454403507.db2.gz WGGSIFGUXAJWFK-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000098097960 454453811 /nfs/dbraw/zinc/45/38/11/454453811.db2.gz JGLASHXDOLTVBD-NSHDSACASA-N 0 0 344.415 3.425 10 5 EGBERN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612477865 460637774 /nfs/dbraw/zinc/63/77/74/460637774.db2.gz LJSZPHRWZDMPQF-NEPJUHHUSA-N 0 0 331.347 3.152 10 5 EGBERN Cc1sc(C(=O)NCCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000079706823 454467241 /nfs/dbraw/zinc/46/72/41/454467241.db2.gz HNXDKQIEMXRTPN-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc12 ZINC000091826295 454477147 /nfs/dbraw/zinc/47/71/47/454477147.db2.gz COFPLYSDGNHYET-UHFFFAOYSA-N 0 0 349.350 3.442 10 5 EGBERN Cc1nc(NC(=O)c2ccc(-n3cccc3)c(F)c2)ccc1[N+](=O)[O-] ZINC000133922427 454483099 /nfs/dbraw/zinc/48/30/99/454483099.db2.gz MOOIDHTYTNQIOE-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(Nc1cccc(-c2nnco2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102635371 454513760 /nfs/dbraw/zinc/51/37/60/454513760.db2.gz WTDTYTZRZDKERI-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc[nH]3)cc2[N+](=O)[O-])C1 ZINC000074123921 454534368 /nfs/dbraw/zinc/53/43/68/454534368.db2.gz YURIEOMQWHSPLN-ZDUSSCGKSA-N 0 0 342.399 3.089 10 5 EGBERN Cc1sc(C(=O)N2CCN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000103411037 454554096 /nfs/dbraw/zinc/55/40/96/454554096.db2.gz ONPHTFIHTOUAAI-UHFFFAOYSA-N 0 0 331.397 3.057 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000080301413 454564021 /nfs/dbraw/zinc/56/40/21/454564021.db2.gz HDEJCUXVYVWIJY-QMMMGPOBSA-N 0 0 330.369 3.332 10 5 EGBERN CCC1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000074385446 454573350 /nfs/dbraw/zinc/57/33/50/454573350.db2.gz SIGJAJLXNCNGRV-UHFFFAOYSA-N 0 0 336.388 3.311 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(NC(C)=O)c(OC)c2)c1 ZINC000092610980 454594363 /nfs/dbraw/zinc/59/43/63/454594363.db2.gz BLLOJKDWSHTBNO-UHFFFAOYSA-N 0 0 349.318 3.453 10 5 EGBERN Cc1cc(NCc2cscn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050932811 454601866 /nfs/dbraw/zinc/60/18/66/454601866.db2.gz UMGMBLROGRSYIC-UHFFFAOYSA-N 0 0 327.369 3.429 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000080591820 454603620 /nfs/dbraw/zinc/60/36/20/454603620.db2.gz QEHHCRBTWMHMBJ-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN Cc1nc(CN2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000105797133 454656872 /nfs/dbraw/zinc/65/68/72/454656872.db2.gz PBHRTLQALMLDDK-CQSZACIVSA-N 0 0 344.415 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105894716 454664880 /nfs/dbraw/zinc/66/48/80/454664880.db2.gz XBQHXWFYTUEMEK-INIZCTEOSA-N 0 0 344.415 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1OC(F)F ZINC000124081675 454698343 /nfs/dbraw/zinc/69/83/43/454698343.db2.gz AQRHBRKEUKHWGP-UHFFFAOYSA-N 0 0 336.294 3.435 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161552303 454703067 /nfs/dbraw/zinc/70/30/67/454703067.db2.gz QELVGDNJWJJJIY-UHFFFAOYSA-N 0 0 325.280 3.057 10 5 EGBERN O=C(NCCc1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161580543 454704653 /nfs/dbraw/zinc/70/46/53/454704653.db2.gz KDBXGMFOIAEVSN-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1cc(NC(=O)CC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161717956 454717777 /nfs/dbraw/zinc/71/77/77/454717777.db2.gz YDLLJFJEZCZDHX-CYBMUJFWSA-N 0 0 329.356 3.349 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000152787569 454725928 /nfs/dbraw/zinc/72/59/28/454725928.db2.gz DAVWSHTWUATMGM-HZMBPMFUSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1cccc(C)c1NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153019450 454753735 /nfs/dbraw/zinc/75/37/35/454753735.db2.gz LEBSOCDXQVTOQL-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000107518629 454761141 /nfs/dbraw/zinc/76/11/41/454761141.db2.gz AHKUANQXPGOQLQ-UKRRQHHQSA-N 0 0 331.372 3.456 10 5 EGBERN C[C@H](OC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1[N+](=O)[O-] ZINC000124745135 454766673 /nfs/dbraw/zinc/76/66/73/454766673.db2.gz FCINIIACXKVQDK-LBPRGKRZSA-N 0 0 338.323 3.094 10 5 EGBERN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194244 454769541 /nfs/dbraw/zinc/76/95/41/454769541.db2.gz OPAFHWAVIYLFGU-AWEZNQCLSA-N 0 0 345.443 3.133 10 5 EGBERN Cc1cc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000153828991 454837946 /nfs/dbraw/zinc/83/79/46/454837946.db2.gz UITAFLWLNXELIB-CZUORRHYSA-N 0 0 335.404 3.356 10 5 EGBERN CCO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1C)C1CCCC1 ZINC000177355673 454855978 /nfs/dbraw/zinc/85/59/78/454855978.db2.gz CADIGIHXHUGOCB-INIZCTEOSA-N 0 0 335.404 3.013 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000111152682 454857463 /nfs/dbraw/zinc/85/74/63/454857463.db2.gz CERCSHJPTCMSHE-KPZWWZAWSA-N 0 0 325.368 3.056 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000147623104 454865758 /nfs/dbraw/zinc/86/57/58/454865758.db2.gz BZTOEQNZIRUADN-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000154151191 454869147 /nfs/dbraw/zinc/86/91/47/454869147.db2.gz DUAMYNFEKANROE-UHFFFAOYSA-N 0 0 341.367 3.056 10 5 EGBERN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000154268690 454880122 /nfs/dbraw/zinc/88/01/22/454880122.db2.gz JZMRXYHCAJEJPK-CYBMUJFWSA-N 0 0 343.383 3.114 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000150762977 454888382 /nfs/dbraw/zinc/88/83/82/454888382.db2.gz USKZGVJFVTXLNA-LBPRGKRZSA-N 0 0 339.351 3.138 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150794941 454893742 /nfs/dbraw/zinc/89/37/42/454893742.db2.gz LMMVHDFLDULAIP-IRXDYDNUSA-N 0 0 346.427 3.334 10 5 EGBERN CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000154500393 454902243 /nfs/dbraw/zinc/90/22/43/454902243.db2.gz OHVXPNGFWCEULN-UHFFFAOYSA-N 0 0 341.367 3.214 10 5 EGBERN O=[N+]([O-])c1cnc2c(I)cccc2c1Cl ZINC000165866991 454905760 /nfs/dbraw/zinc/90/57/60/454905760.db2.gz NEJFYNJPIAYRIP-UHFFFAOYSA-N 0 0 334.500 3.401 10 5 EGBERN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000170620030 454944140 /nfs/dbraw/zinc/94/41/40/454944140.db2.gz PEFPTLMHNVFAFJ-GOSISDBHSA-N 0 0 339.351 3.301 10 5 EGBERN C[C@@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000151148983 454944405 /nfs/dbraw/zinc/94/44/05/454944405.db2.gz JRURVFAOCXREQP-STQMWFEESA-N 0 0 344.367 3.134 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151189547 454950182 /nfs/dbraw/zinc/95/01/82/454950182.db2.gz NQXKJBKTBRAXOT-LRDDRELGSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000127462924 454966974 /nfs/dbraw/zinc/96/69/74/454966974.db2.gz OZFURZVNLRHQNL-LKUPDRCFSA-N 0 0 342.351 3.110 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CCO2)o1 ZINC000127487258 454969984 /nfs/dbraw/zinc/96/99/84/454969984.db2.gz IEWRJGYJCUWLAD-ZDUSSCGKSA-N 0 0 336.369 3.080 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127756351 454994859 /nfs/dbraw/zinc/99/48/59/454994859.db2.gz IJDJKRSBAQJPHF-GFCCVEGCSA-N 0 0 349.412 3.437 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151512820 454995914 /nfs/dbraw/zinc/99/59/14/454995914.db2.gz DJEQVDGIYSFVGE-UHFFFAOYSA-N 0 0 333.413 3.074 10 5 EGBERN COC[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171066568 455024592 /nfs/dbraw/zinc/02/45/92/455024592.db2.gz ZUBHRZGPALIDHC-INIZCTEOSA-N 0 0 343.383 3.124 10 5 EGBERN CCCCN([C@@H](C)CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151781400 455030245 /nfs/dbraw/zinc/03/02/45/455030245.db2.gz XWCARTPJEIFQTA-ZDUSSCGKSA-N 0 0 328.434 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000156024708 455073657 /nfs/dbraw/zinc/07/36/57/455073657.db2.gz AMJFVLKWLZFKJW-MRXNPFEDSA-N 0 0 329.356 3.148 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136205 455077720 /nfs/dbraw/zinc/07/77/20/455077720.db2.gz CELUFOCCWZWNFA-LBPRGKRZSA-N 0 0 333.417 3.031 10 5 EGBERN CCCc1n[nH]c(C(=O)NC[C@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000129492606 455113932 /nfs/dbraw/zinc/11/39/32/455113932.db2.gz MHCCCQMKVCBPTF-LBPRGKRZSA-N 0 0 330.388 3.112 10 5 EGBERN Cc1nc2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc2o1 ZINC000180032190 455119525 /nfs/dbraw/zinc/11/95/25/455119525.db2.gz GNEJVKRHJRJLEQ-UHFFFAOYSA-N 0 0 341.279 3.025 10 5 EGBERN Cc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(C2CC2)n1 ZINC000156602932 455136912 /nfs/dbraw/zinc/13/69/12/455136912.db2.gz NCHJAWIIRDHHPO-UHFFFAOYSA-N 0 0 326.356 3.060 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000180150575 455139902 /nfs/dbraw/zinc/13/99/02/455139902.db2.gz ZVEWRBIKSCCEGY-BXUZGUMPSA-N 0 0 338.429 3.393 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000180150540 455140244 /nfs/dbraw/zinc/14/02/44/455140244.db2.gz ZVEWRBIKSCCEGY-RISCZKNCSA-N 0 0 338.429 3.393 10 5 EGBERN Cc1nnnn1-c1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182870254 455180507 /nfs/dbraw/zinc/18/05/07/455180507.db2.gz MKJMBJOEXGXOOV-GFCCVEGCSA-N 0 0 338.371 3.360 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cccs1 ZINC000180552435 455195279 /nfs/dbraw/zinc/19/52/79/455195279.db2.gz UIZXBGHBAWKGCJ-YGRLFVJLSA-N 0 0 345.380 3.027 10 5 EGBERN C[C@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccccc1 ZINC000158388551 455298187 /nfs/dbraw/zinc/29/81/87/455298187.db2.gz TXFDDUWOPYPYBN-SNVBAGLBSA-N 0 0 337.173 3.323 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000173598345 455313966 /nfs/dbraw/zinc/31/39/66/455313966.db2.gz CHCKTJBQFQHLAJ-CQSZACIVSA-N 0 0 344.371 3.387 10 5 EGBERN Cc1csc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184221997 455363094 /nfs/dbraw/zinc/36/30/94/455363094.db2.gz AGVMPMMBHROYFF-VXGBXAGGSA-N 0 0 348.428 3.346 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(F)cccc2OC)c1 ZINC000174463757 455393347 /nfs/dbraw/zinc/39/33/47/455393347.db2.gz JVTDOFIFLDZXMO-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902475 455396683 /nfs/dbraw/zinc/39/66/83/455396683.db2.gz QXFKVGDIUMYWMK-LBPRGKRZSA-N 0 0 341.346 3.165 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182147043 455446227 /nfs/dbraw/zinc/44/62/27/455446227.db2.gz ZBXCVNDHVMEZFC-UHFFFAOYSA-N 0 0 343.261 3.271 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)n1 ZINC000191658123 455507585 /nfs/dbraw/zinc/50/75/85/455507585.db2.gz NMWMHOHPPHIREI-BMIGLBTASA-N 0 0 346.362 3.004 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000191685555 455510210 /nfs/dbraw/zinc/51/02/10/455510210.db2.gz XEWWMUJNUOIKMH-RISCZKNCSA-N 0 0 328.372 3.180 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2-c2ccccc2)n1 ZINC000191707786 455512080 /nfs/dbraw/zinc/51/20/80/455512080.db2.gz OUMSHWMGQMLBGA-UHFFFAOYSA-N 0 0 341.327 3.027 10 5 EGBERN COc1cccc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246989180 455541092 /nfs/dbraw/zinc/54/10/92/455541092.db2.gz KCLNUANNGXOZNW-DZGCQCFKSA-N 0 0 342.399 3.246 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000176130594 455544139 /nfs/dbraw/zinc/54/41/39/455544139.db2.gz ABLRFJQLZFZYMJ-NSHDSACASA-N 0 0 349.412 3.040 10 5 EGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185480659 455563622 /nfs/dbraw/zinc/56/36/22/455563622.db2.gz MVKNOGIVJGOAJX-LBPRGKRZSA-N 0 0 341.346 3.165 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000161390102 455566050 /nfs/dbraw/zinc/56/60/50/455566050.db2.gz QVFDIWQBXHIHKE-CYBMUJFWSA-N 0 0 332.381 3.178 10 5 EGBERN COc1cccc([C@@H]2CN(c3cccc(OC)c3[N+](=O)[O-])CCO2)c1 ZINC000185588405 455582094 /nfs/dbraw/zinc/58/20/94/455582094.db2.gz WDVFQCKXBSAYEL-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271322073 455596703 /nfs/dbraw/zinc/59/67/03/455596703.db2.gz BEAHULHYXRKPHC-XEZPLFJOSA-N 0 0 335.404 3.160 10 5 EGBERN COc1ccc(CCCNc2ccc(N)cc2[N+](=O)[O-])cc1OC ZINC000283840192 455602640 /nfs/dbraw/zinc/60/26/40/455602640.db2.gz SZIOBQWCIJEKTP-UHFFFAOYSA-N 0 0 331.372 3.239 10 5 EGBERN CCc1nc(C)c(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)o1 ZINC000292249205 455608410 /nfs/dbraw/zinc/60/84/10/455608410.db2.gz JZVAFQFJCFZGJK-UHFFFAOYSA-N 0 0 333.344 3.161 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000268196179 455615815 /nfs/dbraw/zinc/61/58/15/455615815.db2.gz GVNFXLWJEKDOHN-LLVKDONJSA-N 0 0 348.380 3.435 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CCN(CC(F)(F)F)CC1 ZINC000192542067 455638693 /nfs/dbraw/zinc/63/86/93/455638693.db2.gz DYNVWDDEERXMIN-MRVPVSSYSA-N 0 0 338.355 3.126 10 5 EGBERN COC(=O)c1cc(Oc2ncnc3c(C)csc32)ccc1[N+](=O)[O-] ZINC000192590024 455646906 /nfs/dbraw/zinc/64/69/06/455646906.db2.gz HXNKPJVQNMZRJD-UHFFFAOYSA-N 0 0 345.336 3.487 10 5 EGBERN CSCCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000192634359 455656776 /nfs/dbraw/zinc/65/67/76/455656776.db2.gz DKNVEFNESGTNOD-UHFFFAOYSA-N 0 0 336.335 3.239 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000192806338 455697229 /nfs/dbraw/zinc/69/72/29/455697229.db2.gz STENICHNRPADMT-LBPRGKRZSA-N 0 0 347.371 3.184 10 5 EGBERN CN(C(=O)c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000192835608 455703439 /nfs/dbraw/zinc/70/34/39/455703439.db2.gz GKWNIPDAEKCLGU-UHFFFAOYSA-N 0 0 328.324 3.033 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000268515498 455705461 /nfs/dbraw/zinc/70/54/61/455705461.db2.gz YATGAAYINVAKDH-NWANDNLSSA-N 0 0 334.372 3.059 10 5 EGBERN CCc1cc(NCC2(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186163438 455708089 /nfs/dbraw/zinc/70/80/89/455708089.db2.gz ZTMUGAFIRBKPOP-UHFFFAOYSA-N 0 0 342.399 3.189 10 5 EGBERN O=C(N[C@@H]1CCCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277991427 455728426 /nfs/dbraw/zinc/72/84/26/455728426.db2.gz GUXYCJHUUHOBDT-CYBMUJFWSA-N 0 0 336.391 3.393 10 5 EGBERN CCCC(O)(CCC)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271707016 455728972 /nfs/dbraw/zinc/72/89/72/455728972.db2.gz IURFWOAAIWPJCR-ZDUSSCGKSA-N 0 0 337.420 3.286 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000186362167 455752110 /nfs/dbraw/zinc/75/21/10/455752110.db2.gz QJHAUKZGECFWCI-RTGRKSDTSA-N 0 0 340.383 3.475 10 5 EGBERN CN(C[C@@H]1CCOC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278126039 455763999 /nfs/dbraw/zinc/76/39/99/455763999.db2.gz MEQPVMDDPRQYTO-ZDUSSCGKSA-N 0 0 336.391 3.202 10 5 EGBERN CCCCN(CCCO)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271803735 455766465 /nfs/dbraw/zinc/76/64/65/455766465.db2.gz POVZNAQXQWYGPI-INIZCTEOSA-N 0 0 337.420 3.240 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000193610773 455766452 /nfs/dbraw/zinc/76/64/52/455766452.db2.gz DBOQBUVDWBOTJQ-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000193620343 455767169 /nfs/dbraw/zinc/76/71/69/455767169.db2.gz WAPRSTZMVFBCBH-CYBMUJFWSA-N 0 0 345.355 3.218 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000269043259 455773783 /nfs/dbraw/zinc/77/37/83/455773783.db2.gz YSLCKGSPARSFBQ-SJKOYZFVSA-N 0 0 346.358 3.284 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000186468186 455774352 /nfs/dbraw/zinc/77/43/52/455774352.db2.gz RSHWTKJHSPAWRN-LLVKDONJSA-N 0 0 344.371 3.413 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCOC1 ZINC000278283470 455805866 /nfs/dbraw/zinc/80/58/66/455805866.db2.gz ZEKNKCCFNARWLG-CHWSQXEVSA-N 0 0 336.391 3.248 10 5 EGBERN COc1cccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000194573388 455860337 /nfs/dbraw/zinc/86/03/37/455860337.db2.gz JDQXPZYFSOQEJD-NSHDSACASA-N 0 0 334.397 3.368 10 5 EGBERN CCOC(=O)c1ncc(COc2ccc(CC)cc2[N+](=O)[O-])s1 ZINC000601076416 460701346 /nfs/dbraw/zinc/70/13/46/460701346.db2.gz GDFCPBAVIKSGFI-UHFFFAOYSA-N 0 0 336.369 3.369 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(OC)cc1 ZINC000195144669 455927822 /nfs/dbraw/zinc/92/78/22/455927822.db2.gz KGAOTWQVIPJLDF-MRXNPFEDSA-N 0 0 329.356 3.188 10 5 EGBERN CO[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187782846 455951959 /nfs/dbraw/zinc/95/19/59/455951959.db2.gz MVVARPKNFDVQQV-LRDDRELGSA-N 0 0 334.416 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272581200 456002167 /nfs/dbraw/zinc/00/21/67/456002167.db2.gz MHNXJWAIDINQKR-DZGCQCFKSA-N 0 0 349.431 3.472 10 5 EGBERN COc1cccc([C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CCO2)c1 ZINC000286249487 456008531 /nfs/dbraw/zinc/00/85/31/456008531.db2.gz PBMOAJHPAGEACU-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC000188481801 456070542 /nfs/dbraw/zinc/07/05/42/456070542.db2.gz OIGVTRMMMYBCLN-NSHDSACASA-N 0 0 347.396 3.190 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270981901 456086602 /nfs/dbraw/zinc/08/66/02/456086602.db2.gz ITXULZONSOKRIW-GXFFZTMASA-N 0 0 326.418 3.288 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000188626956 456098110 /nfs/dbraw/zinc/09/81/10/456098110.db2.gz XWPXOBBXINWNRJ-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301428303 456113665 /nfs/dbraw/zinc/11/36/65/456113665.db2.gz PPEDKWBMIMAYNP-TXEJJXNPSA-N 0 0 334.347 3.313 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281049284 456120710 /nfs/dbraw/zinc/12/07/10/456120710.db2.gz GGWWHZSNABCFLL-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000301556416 456146189 /nfs/dbraw/zinc/14/61/89/456146189.db2.gz IRHFGQXPAHYUJW-MRXNPFEDSA-N 0 0 343.358 3.284 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)c(F)c1 ZINC000301611633 456161023 /nfs/dbraw/zinc/16/10/23/456161023.db2.gz DXTBAXRGUMNHMI-SNVBAGLBSA-N 0 0 336.754 3.473 10 5 EGBERN CCOc1cc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000301627475 456167574 /nfs/dbraw/zinc/16/75/74/456167574.db2.gz HIWZPALKFGNZOY-CZUORRHYSA-N 0 0 330.388 3.278 10 5 EGBERN Cc1cc(NCC2(CCO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301676113 456183360 /nfs/dbraw/zinc/18/33/60/456183360.db2.gz CGUKGVVXPMZBLY-UHFFFAOYSA-N 0 0 342.399 3.325 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1[N+](=O)[O-] ZINC000301704810 456192304 /nfs/dbraw/zinc/19/23/04/456192304.db2.gz RUPVCIBUBIOPRC-LESCRADOSA-N 0 0 338.363 3.379 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000301857778 456233619 /nfs/dbraw/zinc/23/36/19/456233619.db2.gz RWVAFAWAPYGEEA-DFBGVHRSSA-N 0 0 326.780 3.021 10 5 EGBERN CCCOc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301861105 456235256 /nfs/dbraw/zinc/23/52/56/456235256.db2.gz AEECCDCVUPKKPL-UHFFFAOYSA-N 0 0 327.344 3.038 10 5 EGBERN Cc1cnc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908900 456248119 /nfs/dbraw/zinc/24/81/19/456248119.db2.gz RNJDHYLDVYETJQ-HOCLYGCPSA-N 0 0 348.353 3.434 10 5 EGBERN Cc1cnc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908898 456248748 /nfs/dbraw/zinc/24/87/48/456248748.db2.gz RNJDHYLDVYETJQ-GDBMZVCRSA-N 0 0 348.353 3.434 10 5 EGBERN COc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(F)c1 ZINC000601128560 460721341 /nfs/dbraw/zinc/72/13/41/460721341.db2.gz ADZDCGFNXQBFEZ-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN CC(C)(C)OC(=O)C[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601129917 460722057 /nfs/dbraw/zinc/72/20/57/460722057.db2.gz OJXBMLVWDNSVIH-LLVKDONJSA-N 0 0 339.367 3.077 10 5 EGBERN COC(=O)c1cc(N2CCS[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301968882 456261740 /nfs/dbraw/zinc/26/17/40/456261740.db2.gz ZESNSJCYHUVKDC-CABCVRRESA-N 0 0 336.413 3.246 10 5 EGBERN CCC[C@@H](Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301999024 456267654 /nfs/dbraw/zinc/26/76/54/456267654.db2.gz PMTQLRZWCYDLMH-AWEZNQCLSA-N 0 0 325.372 3.461 10 5 EGBERN Cc1cc(NCC2(O)CCSCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302029780 456271695 /nfs/dbraw/zinc/27/16/95/456271695.db2.gz RQHZWJCODDRYOV-UHFFFAOYSA-N 0 0 333.413 3.121 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000290321497 456290639 /nfs/dbraw/zinc/29/06/39/456290639.db2.gz ILTBFDRKKBMITM-KRWDZBQOSA-N 0 0 346.408 3.183 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342884657 456294112 /nfs/dbraw/zinc/29/41/12/456294112.db2.gz YFSKFAAFLCOHOD-SNVBAGLBSA-N 0 0 339.355 3.496 10 5 EGBERN CCOc1cc(N2CC[S@@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000302210991 456318485 /nfs/dbraw/zinc/31/84/85/456318485.db2.gz CYJKXHCCDGMSBL-HSZRJFAPSA-N 0 0 340.445 3.121 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000340222203 456322052 /nfs/dbraw/zinc/32/20/52/456322052.db2.gz OUAGYVACRPWYNB-IUODEOHRSA-N 0 0 325.368 3.135 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000275884800 456340926 /nfs/dbraw/zinc/34/09/26/456340926.db2.gz QMAUJEVEUZYBTR-BZPMIXESSA-N 0 0 338.791 3.244 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000601143469 460728844 /nfs/dbraw/zinc/72/88/44/460728844.db2.gz DYELMRLCJJYIBF-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Nc2ccccc2)n1 ZINC000347741413 456343326 /nfs/dbraw/zinc/34/33/26/456343326.db2.gz RPSQHYIQTIOJEY-UHFFFAOYSA-N 0 0 337.339 3.324 10 5 EGBERN CC(C)Oc1ccccc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347780229 456363657 /nfs/dbraw/zinc/36/36/57/456363657.db2.gz FVKRGKHSTOBYIE-UHFFFAOYSA-N 0 0 327.384 3.335 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000302671394 456371910 /nfs/dbraw/zinc/37/19/10/456371910.db2.gz KPUFKMJEQRDLNQ-GFCCVEGCSA-N 0 0 349.822 3.371 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(C4CC4)cc3)cc2N1 ZINC000302709873 456381160 /nfs/dbraw/zinc/38/11/60/456381160.db2.gz KIFYYROBZYNHKL-UHFFFAOYSA-N 0 0 339.351 3.415 10 5 EGBERN CCOc1cc(N2CCC(c3nc(CC)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000302726788 456384793 /nfs/dbraw/zinc/38/47/93/456384793.db2.gz PNDDKCISTIVWJF-UHFFFAOYSA-N 0 0 345.403 3.058 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352897849 456398336 /nfs/dbraw/zinc/39/83/36/456398336.db2.gz BMHCYOHLWOWNSV-KBPBESRZSA-N 0 0 333.388 3.184 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000340335987 456398725 /nfs/dbraw/zinc/39/87/25/456398725.db2.gz BPOKJFGAVXOIPG-MRXNPFEDSA-N 0 0 342.355 3.271 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000282138174 456423439 /nfs/dbraw/zinc/42/34/39/456423439.db2.gz PTIFLOGXEIFORP-FRFSOERESA-N 0 0 332.400 3.059 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1CSC ZINC000290856119 456448063 /nfs/dbraw/zinc/44/80/63/456448063.db2.gz DDUYOXVUYNBRAJ-AWEZNQCLSA-N 0 0 347.444 3.205 10 5 EGBERN COc1cc(N2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290899240 456460958 /nfs/dbraw/zinc/46/09/58/456460958.db2.gz UZCZOFMPTGETQI-SNVBAGLBSA-N 0 0 340.742 3.044 10 5 EGBERN Cc1sc(C(=O)NCc2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000348201774 456533595 /nfs/dbraw/zinc/53/35/95/456533595.db2.gz KHJGYVVJZRRMOZ-UHFFFAOYSA-N 0 0 349.412 3.467 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC1=CCCC1 ZINC000338105891 456661960 /nfs/dbraw/zinc/66/19/60/456661960.db2.gz VMFGKHUKBVTGFW-UHFFFAOYSA-N 0 0 341.367 3.138 10 5 EGBERN COC(=O)C[C@@H]1CCCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000324238718 456663498 /nfs/dbraw/zinc/66/34/98/456663498.db2.gz AHFAHXYUZKVKDF-LBPRGKRZSA-N 0 0 329.356 3.065 10 5 EGBERN COc1ncccc1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000348400780 456666799 /nfs/dbraw/zinc/66/67/99/456666799.db2.gz FRVFKIGHPXDQJW-UHFFFAOYSA-N 0 0 343.364 3.490 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000348462609 456696250 /nfs/dbraw/zinc/69/62/50/456696250.db2.gz LUJUTOTYFJTZCL-LBPRGKRZSA-N 0 0 334.294 3.310 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000283048266 456699124 /nfs/dbraw/zinc/69/91/24/456699124.db2.gz HHUYMQGOXLDUMS-CYBMUJFWSA-N 0 0 343.387 3.144 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CCO2)c1 ZINC000283196888 456734214 /nfs/dbraw/zinc/73/42/14/456734214.db2.gz RCDQVHCXAHPKRK-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000299630896 456747941 /nfs/dbraw/zinc/74/79/41/456747941.db2.gz LOSPLTSVSVFZAD-UHFFFAOYSA-N 0 0 339.395 3.256 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2cccnc2)c(C(F)(F)F)c1 ZINC000340905875 456752365 /nfs/dbraw/zinc/75/23/65/456752365.db2.gz VZQGFJSGZJAVBL-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(c2nc3ccccc3s2)C1 ZINC000340936367 456771265 /nfs/dbraw/zinc/77/12/65/456771265.db2.gz OZUSBTKHRWGBTP-UHFFFAOYSA-N 0 0 339.376 3.444 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2cc(Br)ccc2CO)cc1 ZINC000348571011 456772255 /nfs/dbraw/zinc/77/22/55/456772255.db2.gz RIPFEOIKMSTPDH-UHFFFAOYSA-N 0 0 337.173 3.462 10 5 EGBERN CC(C)(C)CCOc1cnccc1CNc1ccncc1[N+](=O)[O-] ZINC000340977109 456794896 /nfs/dbraw/zinc/79/48/96/456794896.db2.gz VAINRROYKFITPQ-UHFFFAOYSA-N 0 0 330.388 3.234 10 5 EGBERN Cc1ccc2ncnc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000301101991 456796306 /nfs/dbraw/zinc/79/63/06/456796306.db2.gz LFIVXHSUXCNSAH-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301179913 456814239 /nfs/dbraw/zinc/81/42/39/456814239.db2.gz AOOJBJRMGOALHO-CYBMUJFWSA-N 0 0 347.806 3.143 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000301185770 456816347 /nfs/dbraw/zinc/81/63/47/456816347.db2.gz JORQKEKHXQXSMG-SOFGYWHQSA-N 0 0 327.340 3.097 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)N1CCc2ccccc21 ZINC000301182800 456816435 /nfs/dbraw/zinc/81/64/35/456816435.db2.gz NWCJURSVPCGEOA-NSHDSACASA-N 0 0 329.331 3.124 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000338637717 456847782 /nfs/dbraw/zinc/84/77/82/456847782.db2.gz WUYIBAXSXZTATK-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000348807058 456864000 /nfs/dbraw/zinc/86/40/00/456864000.db2.gz UIHAPPOZLFQNOQ-GXTWGEPZSA-N 0 0 325.368 3.371 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCc2cc(OC)c(F)cc2C1 ZINC000348812927 456867466 /nfs/dbraw/zinc/86/74/66/456867466.db2.gz RBCAEQANHFKJTH-UHFFFAOYSA-N 0 0 346.358 3.309 10 5 EGBERN COc1ccc2c(c1)OCCN(Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000338997670 456892180 /nfs/dbraw/zinc/89/21/80/456892180.db2.gz KGEDIBSCJHEATB-UHFFFAOYSA-N 0 0 328.368 3.306 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(=O)n1CCOc1c(Cl)cccc1Cl ZINC000349218307 456915401 /nfs/dbraw/zinc/91/54/01/456915401.db2.gz UDRRIEBTSXVWMG-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN O=C(CC1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341723796 456915857 /nfs/dbraw/zinc/91/58/57/456915857.db2.gz VSXOGERZATVWID-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN COCc1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000341724529 456916294 /nfs/dbraw/zinc/91/62/94/456916294.db2.gz XTDTZYXLUIVNDT-UHFFFAOYSA-N 0 0 333.344 3.279 10 5 EGBERN Cn1cc(-c2ccnc(/C=C\c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000349221490 456916599 /nfs/dbraw/zinc/91/65/99/456916599.db2.gz DVBSCNPCTYIOKB-HYXAFXHYSA-N 0 0 325.303 3.095 10 5 EGBERN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000339088696 456935879 /nfs/dbraw/zinc/93/58/79/456935879.db2.gz ZXCNSCVKAJDHQL-OAVHHTNSSA-N 0 0 328.368 3.343 10 5 EGBERN Cc1cn2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc2n1 ZINC000339115455 456947750 /nfs/dbraw/zinc/94/77/50/456947750.db2.gz AIIYFPYPEHCQAC-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCn2nccc21 ZINC000341915177 456999047 /nfs/dbraw/zinc/99/90/47/456999047.db2.gz IRQMVBATNHKILC-UHFFFAOYSA-N 0 0 346.412 3.342 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1C ZINC000362617482 457008159 /nfs/dbraw/zinc/00/81/59/457008159.db2.gz NTXITUAFDODTLX-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN CN(CCC(F)(F)F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358870603 457015728 /nfs/dbraw/zinc/01/57/28/457015728.db2.gz CWSWRSPFRCBIQP-UHFFFAOYSA-N 0 0 342.220 3.221 10 5 EGBERN C[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1cccnc1 ZINC000356499080 457024645 /nfs/dbraw/zinc/02/46/45/457024645.db2.gz AUONNXRMXRRBRM-GFCCVEGCSA-N 0 0 339.355 3.179 10 5 EGBERN Cc1ccc(CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)o1 ZINC000356508399 457028367 /nfs/dbraw/zinc/02/83/67/457028367.db2.gz SFPJCBAQKTWPMH-UHFFFAOYSA-N 0 0 342.355 3.319 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(C2CC2)cc1F ZINC000358899655 457030611 /nfs/dbraw/zinc/03/06/11/457030611.db2.gz SPZWHXDSXXTVGG-UHFFFAOYSA-N 0 0 344.342 3.307 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000341994908 457049096 /nfs/dbraw/zinc/04/90/96/457049096.db2.gz FTVGINBWBDMWKT-UHFFFAOYSA-N 0 0 335.404 3.123 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2c1c(F)ccc2F ZINC000354090585 457055649 /nfs/dbraw/zinc/05/56/49/457055649.db2.gz JCLGGLFOFISBTB-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(CCOC)C1 ZINC000356566699 457058871 /nfs/dbraw/zinc/05/88/71/457058871.db2.gz QVQMCLHIEMXOST-HNNXBMFYSA-N 0 0 334.416 3.049 10 5 EGBERN O=[N+]([O-])c1cnn(CCc2nc(-c3ccc4sccc4c3)no2)c1 ZINC000356584933 457069090 /nfs/dbraw/zinc/06/90/90/457069090.db2.gz CBGBYJBISGXWRY-UHFFFAOYSA-N 0 0 341.352 3.299 10 5 EGBERN CCc1sc(-c2nnc(Cn3c(C)ncc3[N+](=O)[O-])o2)cc1C ZINC000346610979 457077984 /nfs/dbraw/zinc/07/79/84/457077984.db2.gz REXYUDQCWDZYKV-UHFFFAOYSA-N 0 0 333.373 3.130 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342056683 457083944 /nfs/dbraw/zinc/08/39/44/457083944.db2.gz BXRRQCPKKXKDIF-LLVKDONJSA-N 0 0 332.331 3.143 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(-c3cc(-c4cccnc4)on3)n2)c1 ZINC000349861204 457084604 /nfs/dbraw/zinc/08/46/04/457084604.db2.gz BXXRNWJIUIRQJQ-UHFFFAOYSA-N 0 0 335.279 3.362 10 5 EGBERN CC[C@H](NC(=O)NC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000354162199 457101188 /nfs/dbraw/zinc/10/11/88/457101188.db2.gz JOOGKULCPSPGBC-HNNXBMFYSA-N 0 0 335.404 3.304 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000356691236 457120745 /nfs/dbraw/zinc/12/07/45/457120745.db2.gz COSBIOQPHDHBQM-GFCCVEGCSA-N 0 0 344.371 3.003 10 5 EGBERN CSc1ccc(C(=O)N2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000356747021 457146042 /nfs/dbraw/zinc/14/60/42/457146042.db2.gz RVPXPIWBLJEVCX-ZDUSSCGKSA-N 0 0 338.429 3.084 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000359948072 457165497 /nfs/dbraw/zinc/16/54/97/457165497.db2.gz XEUCPEHRUSZHJT-UHFFFAOYSA-N 0 0 335.360 3.477 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000342275792 457205420 /nfs/dbraw/zinc/20/54/20/457205420.db2.gz XUKSMRZECOGFHG-UHFFFAOYSA-N 0 0 335.319 3.052 10 5 EGBERN O=c1cc[nH]c2cc(CNc3ncc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000347110156 457234484 /nfs/dbraw/zinc/23/44/84/457234484.db2.gz RXJAJZXIHLAELP-UHFFFAOYSA-N 0 0 330.731 3.097 10 5 EGBERN Cc1cc(C)nc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c1 ZINC000356969976 457250334 /nfs/dbraw/zinc/25/03/34/457250334.db2.gz GEMNSUSYRIENEV-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(F)c1 ZINC000347147229 457256138 /nfs/dbraw/zinc/25/61/38/457256138.db2.gz MLDPGTZZLKVHCA-UHFFFAOYSA-N 0 0 335.266 3.031 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cnn(C(C)(C)C)c2)no1 ZINC000347161234 457263520 /nfs/dbraw/zinc/26/35/20/457263520.db2.gz PDXBRTALLIGYED-UHFFFAOYSA-N 0 0 343.343 3.272 10 5 EGBERN Cc1ccc(S(=O)(=O)NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000360124577 457266757 /nfs/dbraw/zinc/26/67/57/457266757.db2.gz UHPVSVXMLCNZEY-UHFFFAOYSA-N 0 0 346.408 3.259 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3cccc(F)c3)no2)n1 ZINC000347171497 457269992 /nfs/dbraw/zinc/26/99/92/457269992.db2.gz WHVBAGLCVAINDU-UHFFFAOYSA-N 0 0 345.334 3.326 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C1CC1 ZINC000363245002 457270665 /nfs/dbraw/zinc/27/06/65/457270665.db2.gz DHQTUKFVAKMTDF-ZDUSSCGKSA-N 0 0 339.189 3.372 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCc2noc(Cc3ccccc3)n2)n1 ZINC000354534372 457274134 /nfs/dbraw/zinc/27/41/34/457274134.db2.gz GQJOJKLZULPAOE-UHFFFAOYSA-N 0 0 340.339 3.159 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CCC2)n1 ZINC000360184323 457291472 /nfs/dbraw/zinc/29/14/72/457291472.db2.gz JVZREOBOTGEQFJ-UHFFFAOYSA-N 0 0 335.360 3.308 10 5 EGBERN Cc1ccc2nc(CNc3nc4sccn4c3[N+](=O)[O-])[nH]c2c1 ZINC000342449506 457310215 /nfs/dbraw/zinc/31/02/15/457310215.db2.gz AMGXESKQQUAHKK-UHFFFAOYSA-N 0 0 328.357 3.101 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](NCc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000351685108 457312975 /nfs/dbraw/zinc/31/29/75/457312975.db2.gz CHJNFLZUUXLZOR-LBPRGKRZSA-N 0 0 348.350 3.400 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000363409934 457316579 /nfs/dbraw/zinc/31/65/79/457316579.db2.gz ALSDUNVNYAVHFW-INIZCTEOSA-N 0 0 326.352 3.197 10 5 EGBERN COC(=O)c1c(F)cccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352014743 457330340 /nfs/dbraw/zinc/33/03/40/457330340.db2.gz RZPJBPGJDRKIMR-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342525039 457349767 /nfs/dbraw/zinc/34/97/67/457349767.db2.gz WJVINQADALDCOA-UONOGXRCSA-N 0 0 344.383 3.206 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355264202 457350925 /nfs/dbraw/zinc/35/09/25/457350925.db2.gz JKXYJSMWEVEVPK-UHFFFAOYSA-N 0 0 328.250 3.142 10 5 EGBERN Cc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn2ccnc12 ZINC000355471746 457378427 /nfs/dbraw/zinc/37/84/27/457378427.db2.gz ITXOZLAYOVUDKL-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN CCc1ccc(CN2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000360874492 457399202 /nfs/dbraw/zinc/39/92/02/457399202.db2.gz VNBLGSMIFBCPGC-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1[C@@H](C)C1CC1 ZINC000342656128 457433033 /nfs/dbraw/zinc/43/30/33/457433033.db2.gz RKGUSCMXKBABGI-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN CNc1c(C(=O)Nc2ccc3c(C)n[nH]c3c2)cccc1[N+](=O)[O-] ZINC000360942642 457450816 /nfs/dbraw/zinc/45/08/16/457450816.db2.gz HUSWIKYSLZWZLL-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(OC)cc2)c1 ZINC000392551823 457460113 /nfs/dbraw/zinc/46/01/13/457460113.db2.gz GNZBVVUGGKWSPM-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])CC(=O)c1c[nH]c2ccccc12 ZINC000352562315 457467881 /nfs/dbraw/zinc/46/78/81/457467881.db2.gz JJHMIFJJBMEWLH-UHFFFAOYSA-N 0 0 337.379 3.433 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)CO ZINC000347573611 457519031 /nfs/dbraw/zinc/51/90/31/457519031.db2.gz BEZKSLZXKVWNCJ-VXGBXAGGSA-N 0 0 340.445 3.234 10 5 EGBERN CNc1ccc(C(=O)N2CCc3ccccc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000404753650 457547873 /nfs/dbraw/zinc/54/78/73/457547873.db2.gz YWGQBSYBGSEMNK-CYBMUJFWSA-N 0 0 339.395 3.439 10 5 EGBERN O=C1C[C@]2(CN1)CCCN(c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000408103932 457560436 /nfs/dbraw/zinc/56/04/36/457560436.db2.gz OAHQDGAYJKMWGF-AWEZNQCLSA-N 0 0 344.198 3.008 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425479197 457571108 /nfs/dbraw/zinc/57/11/08/457571108.db2.gz QNKJHYMTBGPCIS-FUHWJXTLSA-N 0 0 343.358 3.074 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC2)C1 ZINC000356422594 457618251 /nfs/dbraw/zinc/61/82/51/457618251.db2.gz GLBVOTZOQZNTQM-OAHLLOKOSA-N 0 0 331.416 3.436 10 5 EGBERN CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000361177827 457631699 /nfs/dbraw/zinc/63/16/99/457631699.db2.gz LTJSLALPPUKISH-SNVBAGLBSA-N 0 0 334.405 3.218 10 5 EGBERN COc1cc(C(=O)N[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000410626389 457651769 /nfs/dbraw/zinc/65/17/69/457651769.db2.gz QJRDCPYLAJXWNU-INIZCTEOSA-N 0 0 345.330 3.019 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000370488221 457659893 /nfs/dbraw/zinc/65/98/93/457659893.db2.gz MBCDHVGFPZWNKJ-UHFFFAOYSA-N 0 0 342.351 3.327 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](CSc2ccccc2)C1 ZINC000370515214 457664645 /nfs/dbraw/zinc/66/46/45/457664645.db2.gz SCDBVQUHZXGQDP-ZDUSSCGKSA-N 0 0 343.408 3.244 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000370724311 457706893 /nfs/dbraw/zinc/70/68/93/457706893.db2.gz KOPIBAMEHXMZLT-HNNXBMFYSA-N 0 0 327.384 3.063 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000374818368 457712905 /nfs/dbraw/zinc/71/29/05/457712905.db2.gz KNWUBDXZVPPQCP-CYBMUJFWSA-N 0 0 347.396 3.176 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000374848941 457718880 /nfs/dbraw/zinc/71/88/80/457718880.db2.gz ZLDPLLRSSZLUFP-SNVBAGLBSA-N 0 0 336.373 3.105 10 5 EGBERN CCOc1ccc(C(=O)N(CC)[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000357877007 457720963 /nfs/dbraw/zinc/72/09/63/457720963.db2.gz NHCYHENZKDLEAE-SECBINFHSA-N 0 0 334.294 3.406 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000370856003 457729407 /nfs/dbraw/zinc/72/94/07/457729407.db2.gz KMZHDXHILWEMAP-CYBMUJFWSA-N 0 0 330.340 3.216 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000357907793 457730125 /nfs/dbraw/zinc/73/01/25/457730125.db2.gz IFCNVZWEVNHQMJ-CYBMUJFWSA-N 0 0 348.378 3.375 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H](C)CC(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000410759983 457749787 /nfs/dbraw/zinc/74/97/87/457749787.db2.gz IMJKEIHFIMMGBS-SSDOTTSWSA-N 0 0 348.277 3.217 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000426016349 457760743 /nfs/dbraw/zinc/76/07/43/457760743.db2.gz XKXCISJIAQMUQH-BZUAXINKSA-N 0 0 335.404 3.303 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443705196 457805197 /nfs/dbraw/zinc/80/51/97/457805197.db2.gz HLOAZHFLWSHGMA-UHFFFAOYSA-N 0 0 334.397 3.260 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774656 457810693 /nfs/dbraw/zinc/81/06/93/457810693.db2.gz JUJSDADHGFDGEP-CVEARBPZSA-N 0 0 340.445 3.229 10 5 EGBERN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443793981 457812482 /nfs/dbraw/zinc/81/24/82/457812482.db2.gz WLQVVVQTLGINBH-XJKSGUPXSA-N 0 0 340.445 3.325 10 5 EGBERN CC(C)(C)C1CC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000457757018 457818305 /nfs/dbraw/zinc/81/83/05/457818305.db2.gz IFJIVVFKRSDUMD-UHFFFAOYSA-N 0 0 330.388 3.160 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433862473 457900531 /nfs/dbraw/zinc/90/05/31/457900531.db2.gz LRUIOUNXYVWDRZ-LLVKDONJSA-N 0 0 330.388 3.495 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000426878667 457921290 /nfs/dbraw/zinc/92/12/90/457921290.db2.gz JYSXBLKEDHYFEA-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COC1CCC(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000426895724 457923069 /nfs/dbraw/zinc/92/30/69/457923069.db2.gz JHLAMKHBOGPLPI-UHFFFAOYSA-N 0 0 349.431 3.350 10 5 EGBERN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000371435292 457928510 /nfs/dbraw/zinc/92/85/10/457928510.db2.gz BOCYCVWNHGERPD-OLZOCXBDSA-N 0 0 329.404 3.325 10 5 EGBERN COc1cccc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC000375451640 457936821 /nfs/dbraw/zinc/93/68/21/457936821.db2.gz XPTVREBWYLWNKU-CYBMUJFWSA-N 0 0 330.388 3.350 10 5 EGBERN COC1CCC(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000427054404 457937874 /nfs/dbraw/zinc/93/78/74/457937874.db2.gz YDVOBQUEQLMEDN-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427174691 457954161 /nfs/dbraw/zinc/95/41/61/457954161.db2.gz MSLOZKUWUAYBRE-UHFFFAOYSA-N 0 0 344.758 3.187 10 5 EGBERN CC(=O)c1ccsc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000427437203 457987075 /nfs/dbraw/zinc/98/70/75/457987075.db2.gz XBMZJMQQZOMFAV-AWEZNQCLSA-N 0 0 345.380 3.076 10 5 EGBERN O=C(NCc1ccc(O)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444849028 457987673 /nfs/dbraw/zinc/98/76/73/457987673.db2.gz MFMZZAHJLAQXTE-UHFFFAOYSA-N 0 0 344.370 3.317 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCCC3CC3)cc2[N+](=O)[O-])C1 ZINC000361989589 457994052 /nfs/dbraw/zinc/99/40/52/457994052.db2.gz SCEHBCWORASIRW-CYBMUJFWSA-N 0 0 331.416 3.361 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000444895883 457994789 /nfs/dbraw/zinc/99/47/89/457994789.db2.gz LLKKPLXGBDDOAP-KRWDZBQOSA-N 0 0 349.387 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000362030598 458014559 /nfs/dbraw/zinc/01/45/59/458014559.db2.gz XBRRJZCSSVVZFQ-SKDRFNHKSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458329392 458015199 /nfs/dbraw/zinc/01/51/99/458015199.db2.gz DMGWQUDMCHPROB-HNNXBMFYSA-N 0 0 326.299 3.425 10 5 EGBERN CS[C@@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445138926 458019631 /nfs/dbraw/zinc/01/96/31/458019631.db2.gz VHOGNNCBZJOHLV-NSHDSACASA-N 0 0 326.421 3.163 10 5 EGBERN C[C@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[S@](C)=O ZINC000362157095 458035372 /nfs/dbraw/zinc/03/53/72/458035372.db2.gz OPNNESMFWDWEGE-OZAJXLCCSA-N 0 0 340.448 3.275 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000434757759 458048345 /nfs/dbraw/zinc/04/83/45/458048345.db2.gz OEHVUGJVSKNFFS-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@H]1COC)c1cccc([N+](=O)[O-])c1 ZINC000458484539 458066688 /nfs/dbraw/zinc/06/66/88/458066688.db2.gz BUTPSCGAFXVDMA-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN CCc1noc(C)c1-c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000445804556 458090473 /nfs/dbraw/zinc/09/04/73/458090473.db2.gz AQJAPXBEQVYOOB-UHFFFAOYSA-N 0 0 343.343 3.158 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000428204326 458096354 /nfs/dbraw/zinc/09/63/54/458096354.db2.gz MZAGWMARMQHYPI-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN CN(Cc1cc[nH]n1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348646 458120002 /nfs/dbraw/zinc/12/00/02/458120002.db2.gz LPLYTMCSHDNNGM-UHFFFAOYSA-N 0 0 327.319 3.155 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435624561 458175646 /nfs/dbraw/zinc/17/56/46/458175646.db2.gz CXXFWCJCPJACCP-UHFFFAOYSA-N 0 0 344.323 3.032 10 5 EGBERN CCCc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)o1 ZINC000412387234 458189155 /nfs/dbraw/zinc/18/91/55/458189155.db2.gz APAUBWINUBZUFW-UHFFFAOYSA-N 0 0 347.371 3.253 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000436401340 458299693 /nfs/dbraw/zinc/29/96/93/458299693.db2.gz OZFVOIHPGFCZQD-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436597314 458341570 /nfs/dbraw/zinc/34/15/70/458341570.db2.gz UUPAJBZBEMGJPO-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C2CCCCC2)C1 ZINC000430222913 458424735 /nfs/dbraw/zinc/42/47/35/458424735.db2.gz GXDBMASMRVAQJY-GOSISDBHSA-N 0 0 334.416 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459702355 458451752 /nfs/dbraw/zinc/45/17/52/458451752.db2.gz OQEFWPQLLWYUDN-GOEBONIOSA-N 0 0 348.424 3.328 10 5 EGBERN Cc1c(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000437436255 458453452 /nfs/dbraw/zinc/45/34/52/458453452.db2.gz ROUQGYSGFCCKJS-LBPRGKRZSA-N 0 0 340.383 3.397 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cncnc1 ZINC000430714526 458483652 /nfs/dbraw/zinc/48/36/52/458483652.db2.gz OTOLBVVRKNBALE-MRVPVSSYSA-N 0 0 340.261 3.146 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC000460193231 458504700 /nfs/dbraw/zinc/50/47/00/458504700.db2.gz NALBIKZHGBCCEQ-CHWSQXEVSA-N 0 0 329.404 3.498 10 5 EGBERN Cc1c(NC(=O)[C@@]2(C)CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000431143366 458535247 /nfs/dbraw/zinc/53/52/47/458535247.db2.gz ZXQIYEFJKVTNJI-ZDUSSCGKSA-N 0 0 343.177 3.031 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438149457 458542789 /nfs/dbraw/zinc/54/27/89/458542789.db2.gz UFQRTYBJSRUNIR-BWACUDIHSA-N 0 0 326.352 3.278 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(CO)(c3ccccc3)CC2)c(Cl)c1 ZINC000431486204 458579268 /nfs/dbraw/zinc/57/92/68/458579268.db2.gz QJNZIWNRCGISEX-UHFFFAOYSA-N 0 0 347.802 3.174 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000438501409 458587304 /nfs/dbraw/zinc/58/73/04/458587304.db2.gz LEFRSPXDEHUKNU-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)s1 ZINC000462585435 458632826 /nfs/dbraw/zinc/63/28/26/458632826.db2.gz VXKRFUPOKOVPIA-UHFFFAOYSA-N 0 0 327.365 3.496 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470617516 458640262 /nfs/dbraw/zinc/64/02/62/458640262.db2.gz HVNUZSLLAVPROO-MFKMUULPSA-N 0 0 330.306 3.327 10 5 EGBERN CN(CCCCc1ccccc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502383968 458648063 /nfs/dbraw/zinc/64/80/63/458648063.db2.gz YBSOINXNGNBLFM-UHFFFAOYSA-N 0 0 325.372 3.097 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000424798087 458734868 /nfs/dbraw/zinc/73/48/68/458734868.db2.gz XNDROZIUXDWNFE-DGCLKSJQSA-N 0 0 328.771 3.435 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000439889038 458762192 /nfs/dbraw/zinc/76/21/92/458762192.db2.gz SEZRYCQQMAPZFR-LBPRGKRZSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1nc(NC(=O)c2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000440414399 458811556 /nfs/dbraw/zinc/81/15/56/458811556.db2.gz OPRDKCCBWQYBDW-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CCC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCOCC1 ZINC000474777770 458899880 /nfs/dbraw/zinc/89/98/80/458899880.db2.gz UDBKVOVJZIYJTO-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN COC(=O)c1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000466637870 458910262 /nfs/dbraw/zinc/91/02/62/458910262.db2.gz RBBNENMWWPXFKG-SJLPKXTDSA-N 0 0 348.399 3.307 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000467413633 458973505 /nfs/dbraw/zinc/97/35/05/458973505.db2.gz YNFZZUPVDZSIBC-UHFFFAOYSA-N 0 0 346.474 3.412 10 5 EGBERN Cc1ccnc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000532111545 459032354 /nfs/dbraw/zinc/03/23/54/459032354.db2.gz XMOJVBWBSVXTFE-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000442930619 459062897 /nfs/dbraw/zinc/06/28/97/459062897.db2.gz ICJLUOLQHXVGHP-UHFFFAOYSA-N 0 0 342.229 3.451 10 5 EGBERN CC1(C)Cc2ccccc2N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000590006870 459066295 /nfs/dbraw/zinc/06/62/95/459066295.db2.gz WYXIIYJHRYIZJU-UHFFFAOYSA-N 0 0 339.395 3.283 10 5 EGBERN O=c1[nH]c(N[C@@H](C2CC2)[C@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000594589134 459099429 /nfs/dbraw/zinc/09/94/29/459099429.db2.gz CBAFFHADCVDPFV-CABCVRRESA-N 0 0 344.371 3.003 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594599778 459104619 /nfs/dbraw/zinc/10/46/19/459104619.db2.gz MYCXVFUWYSDUPP-LBPRGKRZSA-N 0 0 330.388 3.399 10 5 EGBERN C[C@@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000567559454 459123249 /nfs/dbraw/zinc/12/32/49/459123249.db2.gz AOYZNOHYFAWYAW-SECBINFHSA-N 0 0 328.303 3.352 10 5 EGBERN COc1ccc(C(=O)N2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000590445960 459131936 /nfs/dbraw/zinc/13/19/36/459131936.db2.gz XFOURQMKTZVEHZ-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCCO[C@@H]2CC2(F)F)c1 ZINC000594707153 459135430 /nfs/dbraw/zinc/13/54/30/459135430.db2.gz KPQYBGMVVNGAJX-SNVBAGLBSA-N 0 0 337.120 3.193 10 5 EGBERN C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000594709778 459136505 /nfs/dbraw/zinc/13/65/05/459136505.db2.gz HUSPDQHCTKMJSU-SECBINFHSA-N 0 0 326.278 3.254 10 5 EGBERN COC(=O)c1c(Cl)c(NCc2ncccc2C)ccc1[N+](=O)[O-] ZINC000590576530 459152252 /nfs/dbraw/zinc/15/22/52/459152252.db2.gz ISZVMROTKVYDRV-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN CCCCN(C1CCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752954 459152337 /nfs/dbraw/zinc/15/23/37/459152337.db2.gz YKOPZLUDOFODDB-UHFFFAOYSA-N 0 0 341.433 3.113 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594888439 459167647 /nfs/dbraw/zinc/16/76/47/459167647.db2.gz YEBZEHVXPCCVSI-NFAWXSAZSA-N 0 0 325.368 3.255 10 5 EGBERN C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000594925148 459178346 /nfs/dbraw/zinc/17/83/46/459178346.db2.gz LJEOCQZBCSCVMC-VIFPVBQESA-N 0 0 328.294 3.198 10 5 EGBERN C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956089 459192014 /nfs/dbraw/zinc/19/20/14/459192014.db2.gz FADNYHPIDBNFLM-NHYWBVRUSA-N 0 0 339.355 3.242 10 5 EGBERN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041404 459225720 /nfs/dbraw/zinc/22/57/20/459225720.db2.gz PSXNVPFDKWTSTF-NWDGAFQWSA-N 0 0 331.372 3.419 10 5 EGBERN CCOc1ccc([C@H](C)NCc2nccc(OC)c2F)cc1[N+](=O)[O-] ZINC000595080404 459239440 /nfs/dbraw/zinc/23/94/40/459239440.db2.gz LSTAZJZDEAKBCC-NSHDSACASA-N 0 0 349.362 3.387 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)CC ZINC000595109483 459248150 /nfs/dbraw/zinc/24/81/50/459248150.db2.gz UQMWMTZWCLQEQV-NSHDSACASA-N 0 0 335.404 3.037 10 5 EGBERN Cc1c(CNC(=O)[C@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000481495095 459258125 /nfs/dbraw/zinc/25/81/25/459258125.db2.gz RVGGECMKIQXDAN-CYBMUJFWSA-N 0 0 328.368 3.235 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000481576121 459262388 /nfs/dbraw/zinc/26/23/88/459262388.db2.gz VYLFXXSHIJNVDV-UHFFFAOYSA-N 0 0 344.820 3.287 10 5 EGBERN Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000591026577 459296590 /nfs/dbraw/zinc/29/65/90/459296590.db2.gz YCMJHNVOXBGNOG-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN CCCN1CCN(Cc2onc(C)c2[N+](=O)[O-])c2ccc(F)cc21 ZINC000595453037 459307026 /nfs/dbraw/zinc/30/70/26/459307026.db2.gz DDIMPHSEOPEBRA-UHFFFAOYSA-N 0 0 334.351 3.267 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccco2)CC1 ZINC000595455200 459308673 /nfs/dbraw/zinc/30/86/73/459308673.db2.gz SZOGPERUFZFOJC-UHFFFAOYSA-N 0 0 329.356 3.277 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000523731611 459327435 /nfs/dbraw/zinc/32/74/35/459327435.db2.gz VQXJRHFAISIGTQ-QWHCGFSZSA-N 0 0 348.399 3.312 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cc(F)cc3c1OCOC3)C2 ZINC000534512705 459329266 /nfs/dbraw/zinc/32/92/66/459329266.db2.gz CLWVZLWUDGLDLQ-UHFFFAOYSA-N 0 0 344.342 3.159 10 5 EGBERN Cc1cc(N[C@@H]2CCNC(=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591196026 459330982 /nfs/dbraw/zinc/33/09/82/459330982.db2.gz VKENDCAJZSIWLS-VIFPVBQESA-N 0 0 331.294 3.003 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000582247340 459333701 /nfs/dbraw/zinc/33/37/01/459333701.db2.gz NZDDNBAYYCPOMV-TVQRCGJNSA-N 0 0 348.321 3.141 10 5 EGBERN Nc1nc(Nc2ccc(OC3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000523875396 459335340 /nfs/dbraw/zinc/33/53/40/459335340.db2.gz YWLHRFOJKIOYSP-UHFFFAOYSA-N 0 0 329.360 3.252 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCc1cn3c(n1)CCCC3)CCCC2 ZINC000582543478 459383185 /nfs/dbraw/zinc/38/31/85/459383185.db2.gz ITEVETUMSIWRRL-UHFFFAOYSA-N 0 0 341.415 3.056 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C2CCC2)CC1 ZINC000595659118 459387966 /nfs/dbraw/zinc/38/79/66/459387966.db2.gz KPKOUQNVIKDBLU-UHFFFAOYSA-N 0 0 347.415 3.054 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525038097 459412090 /nfs/dbraw/zinc/41/20/90/459412090.db2.gz RMNVWVSBEPFDBC-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[C@H]1O ZINC000595731880 459417662 /nfs/dbraw/zinc/41/76/62/459417662.db2.gz HSZWUIPZQNEGFG-MSRIBSCDSA-N 0 0 332.322 3.062 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000595741779 459421112 /nfs/dbraw/zinc/42/11/12/459421112.db2.gz ZFAVZDMXTKVXQA-MGPQQGTHSA-N 0 0 338.429 3.210 10 5 EGBERN CC[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000595785136 459440088 /nfs/dbraw/zinc/44/00/88/459440088.db2.gz VHRGDKUCHOJKJL-OAHLLOKOSA-N 0 0 330.388 3.106 10 5 EGBERN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889127 459474733 /nfs/dbraw/zinc/47/47/33/459474733.db2.gz HFRUTTNJYQRWIN-NXEZZACHSA-N 0 0 336.285 3.276 10 5 EGBERN COc1ccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595890839 459476634 /nfs/dbraw/zinc/47/66/34/459476634.db2.gz NELQLSOCGNNDNP-CMPLNLGQSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595894310 459477580 /nfs/dbraw/zinc/47/75/80/459477580.db2.gz TZXNNBRWRVTHFR-JOYOIKCWSA-N 0 0 336.285 3.276 10 5 EGBERN CCOC(=O)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)o1 ZINC000591920895 459485653 /nfs/dbraw/zinc/48/56/53/459485653.db2.gz JHKIYBIBXJMWMJ-UHFFFAOYSA-N 0 0 345.355 3.250 10 5 EGBERN Cc1c(Br)c(NC[C@@H](C)CC(F)F)ncc1[N+](=O)[O-] ZINC000591961979 459498159 /nfs/dbraw/zinc/49/81/59/459498159.db2.gz UHDFUHNKJTTWJO-LURJTMIESA-N 0 0 338.152 3.186 10 5 EGBERN CC[C@@H](NC(=O)NCCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591975424 459502051 /nfs/dbraw/zinc/50/20/51/459502051.db2.gz MDBSXLXFQUCBRL-OAHLLOKOSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1cnc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000591987285 459505389 /nfs/dbraw/zinc/50/53/89/459505389.db2.gz JSSARXSEDFGSSL-UHFFFAOYSA-N 0 0 335.404 3.246 10 5 EGBERN C[C@@H]1CC2(CN1c1nc3c(cc1[N+](=O)[O-])CCCC3)CCOCC2 ZINC000591991241 459507694 /nfs/dbraw/zinc/50/76/94/459507694.db2.gz HSVAFFVPTFNFQG-CYBMUJFWSA-N 0 0 331.416 3.264 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541916933 459510279 /nfs/dbraw/zinc/51/02/79/459510279.db2.gz TXVKYNUCOWYEDO-KDOFPFPSSA-N 0 0 347.415 3.195 10 5 EGBERN COc1cc(NC[C@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1F ZINC000541921743 459511905 /nfs/dbraw/zinc/51/19/05/459511905.db2.gz FKLGXHREOQOOND-GFCCVEGCSA-N 0 0 326.368 3.343 10 5 EGBERN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592032289 459513539 /nfs/dbraw/zinc/51/35/39/459513539.db2.gz JYJRKWUPEUHAHL-LLVKDONJSA-N 0 0 329.347 3.070 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1C ZINC000486687746 459515205 /nfs/dbraw/zinc/51/52/05/459515205.db2.gz LCXAFDAKNFFHBL-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592047800 459515809 /nfs/dbraw/zinc/51/58/09/459515809.db2.gz SMWONGFLRIJGNJ-GASCZTMLSA-N 0 0 349.431 3.125 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592123945 459528934 /nfs/dbraw/zinc/52/89/34/459528934.db2.gz ZNCZIUUEYKYAFU-RBSFLKMASA-N 0 0 329.400 3.457 10 5 EGBERN COC(=O)c1cccc2c1CN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000592159034 459539456 /nfs/dbraw/zinc/53/94/56/459539456.db2.gz QPQUGLNQHRRUQY-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000596163776 459544528 /nfs/dbraw/zinc/54/45/28/459544528.db2.gz BPKHJWUYMBCJHO-SECBINFHSA-N 0 0 344.820 3.367 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596182127 459551278 /nfs/dbraw/zinc/55/12/78/459551278.db2.gz OIMGXBMAORPOIJ-VHSXEESVSA-N 0 0 342.779 3.262 10 5 EGBERN COc1cc(N(C)CC(=O)OC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596184367 459552797 /nfs/dbraw/zinc/55/27/97/459552797.db2.gz GCAJTRQOIWSHOO-UHFFFAOYSA-N 0 0 330.768 3.035 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497758356 459555271 /nfs/dbraw/zinc/55/52/71/459555271.db2.gz XUUNMAXUMKAFIU-HNNXBMFYSA-N 0 0 347.374 3.430 10 5 EGBERN COCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000526787171 459557040 /nfs/dbraw/zinc/55/70/40/459557040.db2.gz CASZSLYMNWHLNZ-INIZCTEOSA-N 0 0 343.383 3.278 10 5 EGBERN CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592252225 459560150 /nfs/dbraw/zinc/56/01/50/459560150.db2.gz ZDDTZWUZAKIFFT-OAHLLOKOSA-N 0 0 333.388 3.070 10 5 EGBERN CC(C)(C)c1ccc(NS(=O)(=O)CCC2CC2)cc1[N+](=O)[O-] ZINC000583579324 459562383 /nfs/dbraw/zinc/56/23/83/459562383.db2.gz IXUJQXGSBVOPLJ-UHFFFAOYSA-N 0 0 326.418 3.434 10 5 EGBERN Cc1c(CN(C)c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cnn1C ZINC000596217220 459563508 /nfs/dbraw/zinc/56/35/08/459563508.db2.gz PFFHZRDAMYBORL-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN COCc1nc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cs1 ZINC000596238911 459570980 /nfs/dbraw/zinc/57/09/80/459570980.db2.gz RIUFZUXPWPSFNP-UHFFFAOYSA-N 0 0 343.792 3.472 10 5 EGBERN CCC[C@H]1CCc2c(sc(=O)n2Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000596256609 459577272 /nfs/dbraw/zinc/57/72/72/459577272.db2.gz DNNXSUWWLRTXKV-JTQLQIEISA-N 0 0 337.401 3.068 10 5 EGBERN COC(=O)c1c(Cl)c(NCC(C)(C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000596262667 459579246 /nfs/dbraw/zinc/57/92/46/459579246.db2.gz ZSZVHBYZCKNWMW-UHFFFAOYSA-N 0 0 344.795 3.244 10 5 EGBERN CCCc1nc(C)c(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)o1 ZINC000596292738 459586990 /nfs/dbraw/zinc/58/69/90/459586990.db2.gz RDUMBJIMLKMSPL-UHFFFAOYSA-N 0 0 327.340 3.207 10 5 EGBERN CO[C@@H](CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596319035 459594889 /nfs/dbraw/zinc/59/48/89/459594889.db2.gz SAWBHRUWQDVDTK-YGRLFVJLSA-N 0 0 348.321 3.385 10 5 EGBERN CC[C@@H](COCC1CC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596326440 459596764 /nfs/dbraw/zinc/59/67/64/459596764.db2.gz ISGAJDTXNAKJPC-AWEZNQCLSA-N 0 0 347.415 3.104 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ncnn21 ZINC000596345792 459603727 /nfs/dbraw/zinc/60/37/27/459603727.db2.gz LTCULMHHMCVFNV-RDDDGLTNSA-N 0 0 338.165 3.067 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccnc1N1CCCC1 ZINC000596355581 459606373 /nfs/dbraw/zinc/60/63/73/459606373.db2.gz FVUCFRSYLOLGOF-UHFFFAOYSA-N 0 0 328.372 3.211 10 5 EGBERN CCOc1cc(CSC[C@@H](OC)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596391229 459619042 /nfs/dbraw/zinc/61/90/42/459619042.db2.gz VEWPLQHTQJVIQJ-XJKSGUPXSA-N 0 0 341.429 3.278 10 5 EGBERN CS(=O)(=O)c1cc(SCC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596391061 459619438 /nfs/dbraw/zinc/61/94/38/459619438.db2.gz MKUPRPRVARBARJ-LLVKDONJSA-N 0 0 345.442 3.050 10 5 EGBERN COCC1(C2CCC2)CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596439764 459636543 /nfs/dbraw/zinc/63/65/43/459636543.db2.gz FKKPNVAQAKWUMF-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)COc1c(F)cccc1F ZINC000596450285 459640528 /nfs/dbraw/zinc/64/05/28/459640528.db2.gz BWILONRNQKSNDQ-SECBINFHSA-N 0 0 340.330 3.277 10 5 EGBERN CC[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000592603365 459641783 /nfs/dbraw/zinc/64/17/83/459641783.db2.gz UCVYKNXLPYOKBC-MLGOLLRUSA-N 0 0 342.399 3.255 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H](C)C1O ZINC000596469320 459647197 /nfs/dbraw/zinc/64/71/97/459647197.db2.gz KKLVTKIRBUIJNV-VXGBXAGGSA-N 0 0 345.374 3.249 10 5 EGBERN COc1cccc(C2(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000584085974 459648395 /nfs/dbraw/zinc/64/83/95/459648395.db2.gz KHNQLQUDKXWXQE-UHFFFAOYSA-N 0 0 338.367 3.045 10 5 EGBERN Cc1cc(N2C[C@H]3COC[C@]3(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596480298 459651276 /nfs/dbraw/zinc/65/12/76/459651276.db2.gz MNNYXHGPCLHNRX-HZMBPMFUSA-N 0 0 341.205 3.138 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](CCF)C1 ZINC000596480222 459651518 /nfs/dbraw/zinc/65/15/18/459651518.db2.gz LLVVPEBSONBEKO-VIFPVBQESA-N 0 0 332.173 3.328 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)n1 ZINC000596486639 459653030 /nfs/dbraw/zinc/65/30/30/459653030.db2.gz BNZKLBVJWRRPRT-GJZGRUSLSA-N 0 0 329.404 3.163 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CC(F)F)cc1SC ZINC000592672903 459661310 /nfs/dbraw/zinc/66/13/10/459661310.db2.gz POGKQGKEPCOWGG-MRVPVSSYSA-N 0 0 348.371 3.346 10 5 EGBERN Cc1cc([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)c(O)cc1Cl ZINC000596510427 459661926 /nfs/dbraw/zinc/66/19/26/459661926.db2.gz LLDLIHKUGYBLEA-JTQLQIEISA-N 0 0 334.763 3.046 10 5 EGBERN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC(F)F ZINC000592673775 459662348 /nfs/dbraw/zinc/66/23/48/459662348.db2.gz YCSSQNQZGJELPC-NSHDSACASA-N 0 0 341.358 3.216 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000596518875 459664939 /nfs/dbraw/zinc/66/49/39/459664939.db2.gz YAADYFFVUKKNGT-CABCVRRESA-N 0 0 332.404 3.290 10 5 EGBERN COc1cc(NCC2(O)CCC(F)(F)CC2)c(F)cc1[N+](=O)[O-] ZINC000596528700 459668242 /nfs/dbraw/zinc/66/82/42/459668242.db2.gz ZCBVSWISZJPWHE-UHFFFAOYSA-N 0 0 334.294 3.095 10 5 EGBERN COc1cc(NC[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000596547573 459672123 /nfs/dbraw/zinc/67/21/23/459672123.db2.gz IITZJEDDRHJNIR-ZBEGNZNMSA-N 0 0 334.347 3.319 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@H](CC(F)(F)F)C1)CCCC2 ZINC000596557788 459676125 /nfs/dbraw/zinc/67/61/25/459676125.db2.gz LJJABUOVLKJLOX-LLVKDONJSA-N 0 0 345.321 3.026 10 5 EGBERN CC(=O)c1cc(N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000596567026 459679606 /nfs/dbraw/zinc/67/96/06/459679606.db2.gz LISDCVRPKZIVQD-HDICACEKSA-N 0 0 330.384 3.194 10 5 EGBERN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@](C)(C(F)F)O1 ZINC000596572019 459681379 /nfs/dbraw/zinc/68/13/79/459681379.db2.gz IZNPQPCRDALSFD-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN O=[N+]([O-])c1c(N2CC3(CCC3)[C@@H]2c2ccncc2)nc2sccn21 ZINC000596571768 459681516 /nfs/dbraw/zinc/68/15/16/459681516.db2.gz AIXHUINXJDIVQA-LBPRGKRZSA-N 0 0 341.396 3.431 10 5 EGBERN Cc1ccc(NC(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596627255 459703794 /nfs/dbraw/zinc/70/37/94/459703794.db2.gz XJXZZYFOQZVMKK-CYBMUJFWSA-N 0 0 333.388 3.469 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592856657 459704851 /nfs/dbraw/zinc/70/48/51/459704851.db2.gz UZNBSRZSPCEORP-MAUKXSAKSA-N 0 0 336.432 3.221 10 5 EGBERN COc1ccc(C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)nc1 ZINC000593036123 459748528 /nfs/dbraw/zinc/74/85/28/459748528.db2.gz CVIUKRKVHFPQGE-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cscn1 ZINC000596744613 459749920 /nfs/dbraw/zinc/74/99/20/459749920.db2.gz QSSLZGNCBBHZIN-SNVBAGLBSA-N 0 0 334.401 3.347 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000596823485 459771313 /nfs/dbraw/zinc/77/13/13/459771313.db2.gz QALQNNJZRGNQLO-SUMWQHHRSA-N 0 0 347.415 3.226 10 5 EGBERN C[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000596845987 459778090 /nfs/dbraw/zinc/77/80/90/459778090.db2.gz KASRSWAUFGWEGY-SNVBAGLBSA-N 0 0 346.305 3.131 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000544838959 459786707 /nfs/dbraw/zinc/78/67/07/459786707.db2.gz NQRAMJUPWDDKJK-ZDUSSCGKSA-N 0 0 326.418 3.184 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000596899862 459790315 /nfs/dbraw/zinc/79/03/15/459790315.db2.gz WVRQLPJLFVWVOR-XIKOKIGWSA-N 0 0 349.431 3.375 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000596899295 459790500 /nfs/dbraw/zinc/79/05/00/459790500.db2.gz HAQGIDOCNVKJAP-LLVKDONJSA-N 0 0 335.404 3.175 10 5 EGBERN CSc1cccnc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593161225 459791964 /nfs/dbraw/zinc/79/19/64/459791964.db2.gz AGNAYGVTNSCQFW-UHFFFAOYSA-N 0 0 331.397 3.377 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@H]2CCCCO2)c1 ZINC000593187896 459801196 /nfs/dbraw/zinc/80/11/96/459801196.db2.gz RPESMKWUMXMXGE-CYBMUJFWSA-N 0 0 325.386 3.184 10 5 EGBERN C[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000584813931 459805987 /nfs/dbraw/zinc/80/59/87/459805987.db2.gz VQCHBOPQJFYLGT-ZDUSSCGKSA-N 0 0 344.415 3.450 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COc1cc(OC)c(OC)cc1F ZINC000593242460 459817391 /nfs/dbraw/zinc/81/73/91/459817391.db2.gz XMHQTKHPOKGHBC-UHFFFAOYSA-N 0 0 337.303 3.339 10 5 EGBERN COc1cncc(/C=C\CCOc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000566210433 459822795 /nfs/dbraw/zinc/82/27/95/459822795.db2.gz VKRXBFZEWSPNBP-XQRVVYSFSA-N 0 0 329.356 3.493 10 5 EGBERN Nc1c(NC(=O)N2CCC(C(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597100621 459837570 /nfs/dbraw/zinc/83/75/70/459837570.db2.gz KFRYQSPPSHHUOX-UHFFFAOYSA-N 0 0 348.737 3.339 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@@H](C)OCC23CCC3)ccc1[N+](=O)[O-] ZINC000593318942 459839974 /nfs/dbraw/zinc/83/99/74/459839974.db2.gz HSDWMCSGPNEVOS-CYBMUJFWSA-N 0 0 348.399 3.166 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000598250423 459840898 /nfs/dbraw/zinc/84/08/98/459840898.db2.gz BFFQMZGVKSTSLG-UHFFFAOYSA-N 0 0 343.358 3.369 10 5 EGBERN COc1ccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000593326053 459844788 /nfs/dbraw/zinc/84/47/88/459844788.db2.gz HDEUTJLPZJIOJN-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(CC2(F)F)C1 ZINC000593355211 459860108 /nfs/dbraw/zinc/86/01/08/459860108.db2.gz WWDHQLYKQFSDFX-CYBMUJFWSA-N 0 0 348.252 3.068 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000593357854 459861821 /nfs/dbraw/zinc/86/18/21/459861821.db2.gz JSWZBMSEFKCVHX-ZDUSSCGKSA-N 0 0 336.388 3.096 10 5 EGBERN COCc1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000593368319 459868219 /nfs/dbraw/zinc/86/82/19/459868219.db2.gz CPQJGUNKQOGABY-UHFFFAOYSA-N 0 0 347.346 3.192 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000598339595 459871688 /nfs/dbraw/zinc/87/16/88/459871688.db2.gz AKFWOVKVBLCDDS-LLVKDONJSA-N 0 0 330.356 3.338 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598350489 459875063 /nfs/dbraw/zinc/87/50/63/459875063.db2.gz MKPMZJUVTGUGIE-SJORKVTESA-N 0 0 346.358 3.222 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598354323 459877399 /nfs/dbraw/zinc/87/73/99/459877399.db2.gz RQYKHLLAFUVXDP-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN COC(=O)[C@@](C)(CCF)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597213170 459878677 /nfs/dbraw/zinc/87/86/77/459878677.db2.gz GZHDUCRGNNSKOT-MRXNPFEDSA-N 0 0 326.368 3.099 10 5 EGBERN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598367294 459881045 /nfs/dbraw/zinc/88/10/45/459881045.db2.gz PDXWTYXJIWGXOS-HSBZDZAISA-N 0 0 338.379 3.397 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2ccon2)CC1 ZINC000598399052 459889757 /nfs/dbraw/zinc/88/97/57/459889757.db2.gz KXEVLJSEGJPYAG-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN COc1ccccc1N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608853111 459891576 /nfs/dbraw/zinc/89/15/76/459891576.db2.gz ZPXVENNSJWGOGL-UHFFFAOYSA-N 0 0 325.324 3.361 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000608886753 459893238 /nfs/dbraw/zinc/89/32/38/459893238.db2.gz CLTWCMYITHOSSF-UHFFFAOYSA-N 0 0 334.825 3.223 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@H](CC(F)(F)F)C1 ZINC000597243998 459893291 /nfs/dbraw/zinc/89/32/91/459893291.db2.gz QIRDMIODGCIOQJ-MASHWEEQSA-N 0 0 330.306 3.261 10 5 EGBERN CC(C)(CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000587980369 459897968 /nfs/dbraw/zinc/89/79/68/459897968.db2.gz VIVWKNPTXPWJTB-UHFFFAOYSA-N 0 0 329.400 3.350 10 5 EGBERN CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598468483 459905790 /nfs/dbraw/zinc/90/57/90/459905790.db2.gz DKBFOEINIXQICZ-ZDUSSCGKSA-N 0 0 342.399 3.072 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609128342 459906884 /nfs/dbraw/zinc/90/68/84/459906884.db2.gz USBMZPZOWYLKCO-DZGCQCFKSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000598471945 459907480 /nfs/dbraw/zinc/90/74/80/459907480.db2.gz CXJBYIDWAYEMJR-OAHLLOKOSA-N 0 0 325.368 3.293 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2csc(-c3ccccc3)n2)n1 ZINC000588080442 459909187 /nfs/dbraw/zinc/90/91/87/459909187.db2.gz UFESKFLIWVRNAN-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN O=C(Nc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000588079943 459909727 /nfs/dbraw/zinc/90/97/27/459909727.db2.gz UJCMSEFLNQELCV-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(CNc5ccccc54)C3)c21 ZINC000618166228 459915534 /nfs/dbraw/zinc/91/55/34/459915534.db2.gz FNDNOSJTHIYYEL-IBGZPJMESA-N 0 0 347.378 3.112 10 5 EGBERN CCOC(=O)C(C)(C)CC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000588160839 459921638 /nfs/dbraw/zinc/92/16/38/459921638.db2.gz SEXKRMAODRXPMA-CQSZACIVSA-N 0 0 336.388 3.142 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000598505397 459924746 /nfs/dbraw/zinc/92/47/46/459924746.db2.gz BNSCGWISFGVLOX-MWLCHTKSSA-N 0 0 346.305 3.085 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000597347868 459925051 /nfs/dbraw/zinc/92/50/51/459925051.db2.gz DITSOYKTWUOTJX-JTQLQIEISA-N 0 0 346.339 3.082 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588180139 459926045 /nfs/dbraw/zinc/92/60/45/459926045.db2.gz JVNDWYUXDMDNRT-JOYOIKCWSA-N 0 0 330.356 3.379 10 5 EGBERN COCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000598550423 459934080 /nfs/dbraw/zinc/93/40/80/459934080.db2.gz IEFAWCGELMASJC-UHFFFAOYSA-N 0 0 340.807 3.256 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232728 459935053 /nfs/dbraw/zinc/93/50/53/459935053.db2.gz ZMYVIDLPGGCFDB-UONOGXRCSA-N 0 0 336.342 3.195 10 5 EGBERN COCC1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000598554719 459936633 /nfs/dbraw/zinc/93/66/33/459936633.db2.gz LFFFTZHPPIZTDS-UHFFFAOYSA-N 0 0 349.431 3.252 10 5 EGBERN CCc1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598566674 459940186 /nfs/dbraw/zinc/94/01/86/459940186.db2.gz YQHSTRWFNLHUPZ-HWPZZCPQSA-N 0 0 342.342 3.042 10 5 EGBERN CC12CC(C1)CN2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598567736 459941433 /nfs/dbraw/zinc/94/14/33/459941433.db2.gz FIAXZRUUTLCCII-UHFFFAOYSA-N 0 0 329.381 3.343 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000598582501 459952005 /nfs/dbraw/zinc/95/20/05/459952005.db2.gz ZOUFHGVLMXEAJJ-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000593727033 459965421 /nfs/dbraw/zinc/96/54/21/459965421.db2.gz ASDNMJAKOMWSHR-KRWDZBQOSA-N 0 0 347.802 3.100 10 5 EGBERN CCCc1cc(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH][nH]1 ZINC000609523289 459974340 /nfs/dbraw/zinc/97/43/40/459974340.db2.gz KEEDEEKRCRVLIF-UHFFFAOYSA-N 0 0 330.369 3.159 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598654156 459980354 /nfs/dbraw/zinc/98/03/54/459980354.db2.gz NIUFHROZKDWFAW-ZYHUDNBSSA-N 0 0 327.331 3.309 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(C2(O)CC2)CC1 ZINC000593768385 459980784 /nfs/dbraw/zinc/98/07/84/459980784.db2.gz VBDYIQRNCXMMKC-UHFFFAOYSA-N 0 0 346.408 3.187 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677217 459988469 /nfs/dbraw/zinc/98/84/69/459988469.db2.gz NGDDOYIYPUVMLS-GXTWGEPZSA-N 0 0 336.342 3.053 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1F ZINC000593914497 460015506 /nfs/dbraw/zinc/01/55/06/460015506.db2.gz CRPZERJXJAPKCH-CYBMUJFWSA-N 0 0 343.358 3.281 10 5 EGBERN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000609854294 460029117 /nfs/dbraw/zinc/02/91/17/460029117.db2.gz SKAHLRRTBIFQKH-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693472 460030862 /nfs/dbraw/zinc/03/08/62/460030862.db2.gz DLRHPUZVWVSDPG-GOEBONIOSA-N 0 0 339.395 3.500 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598781497 460032625 /nfs/dbraw/zinc/03/26/25/460032625.db2.gz ZYMYLHPHXQNJLO-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000598805677 460042708 /nfs/dbraw/zinc/04/27/08/460042708.db2.gz KEANTUBUFQUYJX-QWHCGFSZSA-N 0 0 328.372 3.029 10 5 EGBERN CN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598832350 460056641 /nfs/dbraw/zinc/05/66/41/460056641.db2.gz VAOHDQXQXLRUQN-FZMZJTMJSA-N 0 0 325.315 3.168 10 5 EGBERN CCNc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000598865835 460074974 /nfs/dbraw/zinc/07/49/74/460074974.db2.gz JPKQMIZJIUUNAX-UHFFFAOYSA-N 0 0 341.367 3.352 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594053981 460074963 /nfs/dbraw/zinc/07/49/63/460074963.db2.gz GADYLERIUYZQCY-NEPJUHHUSA-N 0 0 347.293 3.216 10 5 EGBERN Cc1c(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594057365 460078546 /nfs/dbraw/zinc/07/85/46/460078546.db2.gz ZBIWOUPRJKHZFJ-JKSUJKDBSA-N 0 0 333.388 3.372 10 5 EGBERN C[C@@]1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1(F)F ZINC000618594234 460079706 /nfs/dbraw/zinc/07/97/06/460079706.db2.gz FKIJGTBQAPPDAF-SFHVURJKSA-N 0 0 342.345 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594058581 460080501 /nfs/dbraw/zinc/08/05/01/460080501.db2.gz KACMGDIRNORYLH-CVEARBPZSA-N 0 0 333.388 3.372 10 5 EGBERN C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597865350 460085700 /nfs/dbraw/zinc/08/57/00/460085700.db2.gz RWRQNTACDUQRQJ-CHWSQXEVSA-N 0 0 345.424 3.390 10 5 EGBERN Cc1cccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)c1[N+](=O)[O-] ZINC000598936652 460096438 /nfs/dbraw/zinc/09/64/38/460096438.db2.gz GMOJPOTVJLRYEM-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCc4cccnc43)cc2N1 ZINC000598945176 460097444 /nfs/dbraw/zinc/09/74/44/460097444.db2.gz GCENCZUBSJZTDE-CYBMUJFWSA-N 0 0 338.367 3.016 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597954296 460126169 /nfs/dbraw/zinc/12/61/69/460126169.db2.gz IDBQRUBSGQWUSY-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN O=C1CCCCCN1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599015833 460126966 /nfs/dbraw/zinc/12/69/66/460126966.db2.gz SBBFNPBKELPZON-UHFFFAOYSA-N 0 0 342.399 3.348 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594175631 460137660 /nfs/dbraw/zinc/13/76/60/460137660.db2.gz MCMMHALTZIEYBS-HOCLYGCPSA-N 0 0 334.416 3.336 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599045440 460137877 /nfs/dbraw/zinc/13/78/77/460137877.db2.gz HNOLKKJIOPTYRF-TZMCWYRMSA-N 0 0 342.399 3.202 10 5 EGBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594177257 460138537 /nfs/dbraw/zinc/13/85/37/460138537.db2.gz ZXIJSDYMWWIMBI-LLVKDONJSA-N 0 0 342.342 3.304 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594180403 460139271 /nfs/dbraw/zinc/13/92/71/460139271.db2.gz ZREPOYCPLJERJY-CHWSQXEVSA-N 0 0 338.429 3.394 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594202977 460148269 /nfs/dbraw/zinc/14/82/69/460148269.db2.gz JBHJSQNEVXTGEO-AWEZNQCLSA-N 0 0 348.399 3.215 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594202242 460148446 /nfs/dbraw/zinc/14/84/46/460148446.db2.gz FQHRXDQWIVUJQV-AWEZNQCLSA-N 0 0 347.415 3.248 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000594205670 460150835 /nfs/dbraw/zinc/15/08/35/460150835.db2.gz DBYCAOUPEBXLOR-AWEZNQCLSA-N 0 0 346.427 3.480 10 5 EGBERN CC(C)(C)n1ncnc1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599075761 460153529 /nfs/dbraw/zinc/15/35/29/460153529.db2.gz ZTJMSHBPHFNPIY-UHFFFAOYSA-N 0 0 326.360 3.102 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598059998 460156274 /nfs/dbraw/zinc/15/62/74/460156274.db2.gz KNTQYZCVVWTVEP-AULYBMBSSA-N 0 0 347.396 3.016 10 5 EGBERN C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599100362 460162140 /nfs/dbraw/zinc/16/21/40/460162140.db2.gz CJQKGYOFFDEQNN-BTELXILVSA-N 0 0 333.413 3.245 10 5 EGBERN COc1cc(NC[C@@H]2Cc3ccccc3CO2)c(F)cc1[N+](=O)[O-] ZINC000599123705 460168196 /nfs/dbraw/zinc/16/81/96/460168196.db2.gz FVSBOIAIKDRWGV-ZDUSSCGKSA-N 0 0 332.331 3.296 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599123781 460168247 /nfs/dbraw/zinc/16/82/47/460168247.db2.gz JRWAJDRHISFUQU-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN COC(=O)c1ccc(F)c2c1CN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000599134524 460170749 /nfs/dbraw/zinc/17/07/49/460170749.db2.gz YRAWFTLGWSMKKH-UHFFFAOYSA-N 0 0 336.344 3.145 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526073 460175196 /nfs/dbraw/zinc/17/51/96/460175196.db2.gz DEJRMHVHIVYUMM-ZDUSSCGKSA-N 0 0 327.384 3.187 10 5 EGBERN CC[C@@H](NC(=O)N(CCO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000610530768 460177462 /nfs/dbraw/zinc/17/74/62/460177462.db2.gz BUIBYVRYGUSJDQ-OAHLLOKOSA-N 0 0 337.420 3.096 10 5 EGBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599166907 460183830 /nfs/dbraw/zinc/18/38/30/460183830.db2.gz WBMLAGZOGLIUGZ-IINYFYTJSA-N 0 0 342.779 3.018 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](CCF)C2)nc1-c1ccc(F)cc1 ZINC000599169583 460185365 /nfs/dbraw/zinc/18/53/65/460185365.db2.gz VFAIHHQDKVSJMG-CQSZACIVSA-N 0 0 349.337 3.361 10 5 EGBERN CN(Cc1nc(-c2coc(C3CC3)n2)no1)c1ccccc1[N+](=O)[O-] ZINC000599189575 460193359 /nfs/dbraw/zinc/19/33/59/460193359.db2.gz SVOOLDDSDCDRBV-UHFFFAOYSA-N 0 0 341.327 3.147 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599193413 460194593 /nfs/dbraw/zinc/19/45/93/460194593.db2.gz YDMAKQFCXLCZFA-UHFFFAOYSA-N 0 0 329.400 3.258 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3coc(C4CC4)n3)no2)cc1 ZINC000599192015 460195045 /nfs/dbraw/zinc/19/50/45/460195045.db2.gz RICNSNUISNNUCW-UHFFFAOYSA-N 0 0 328.284 3.089 10 5 EGBERN CC[C@H](NC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599202685 460198499 /nfs/dbraw/zinc/19/84/99/460198499.db2.gz ONUFAXHSANKTPP-WYEAJDFLSA-N 0 0 335.404 3.157 10 5 EGBERN O=C1[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000599205377 460198525 /nfs/dbraw/zinc/19/85/25/460198525.db2.gz FQLJESMQHNVZEN-LBPRGKRZSA-N 0 0 343.305 3.179 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599209430 460199501 /nfs/dbraw/zinc/19/95/01/460199501.db2.gz MHAYFCRDSBSHKY-JLVBRIDZSA-N 0 0 331.416 3.215 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594395774 460204402 /nfs/dbraw/zinc/20/44/02/460204402.db2.gz HSVPLWPYLQVECV-HUUCEWRRSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594395778 460204635 /nfs/dbraw/zinc/20/46/35/460204635.db2.gz HTFMNHKKSZOVHT-RDJZCZTQSA-N 0 0 343.383 3.154 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598209217 460205005 /nfs/dbraw/zinc/20/50/05/460205005.db2.gz RKBUGODPXGIKQB-XUJVJEKNSA-N 0 0 325.368 3.309 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598210897 460206013 /nfs/dbraw/zinc/20/60/13/460206013.db2.gz ZLCKJBRANMDYOU-INWMFGNUSA-N 0 0 330.384 3.110 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594399423 460206226 /nfs/dbraw/zinc/20/62/26/460206226.db2.gz UFHZJBFKYAPZJW-RDJZCZTQSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1(F)F ZINC000598217242 460208129 /nfs/dbraw/zinc/20/81/29/460208129.db2.gz SUWJEHAQMNISEY-LLVKDONJSA-N 0 0 338.232 3.389 10 5 EGBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000598216898 460208325 /nfs/dbraw/zinc/20/83/25/460208325.db2.gz RWXXZALHQJOIML-LLVKDONJSA-N 0 0 349.131 3.132 10 5 EGBERN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594411073 460210459 /nfs/dbraw/zinc/21/04/59/460210459.db2.gz OHUXPKGFVKERDF-LLVKDONJSA-N 0 0 341.358 3.337 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594410950 460210751 /nfs/dbraw/zinc/21/07/51/460210751.db2.gz NLZCJXFBMPHXEV-TZMCWYRMSA-N 0 0 326.780 3.326 10 5 EGBERN CNc1c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594417180 460211928 /nfs/dbraw/zinc/21/19/28/460211928.db2.gz VXXRAFOUHJEBNG-ZDUSSCGKSA-N 0 0 347.415 3.200 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H](CCF)C1 ZINC000598228799 460214489 /nfs/dbraw/zinc/21/44/89/460214489.db2.gz PZTJDXWXABKNLE-LBPRGKRZSA-N 0 0 346.362 3.197 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598249296 460221714 /nfs/dbraw/zinc/22/17/14/460221714.db2.gz HQICHYBSHOEKQE-QGZVFWFLSA-N 0 0 329.356 3.157 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000610760550 460232522 /nfs/dbraw/zinc/23/25/22/460232522.db2.gz UHQNVWORGHFVPQ-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN CCC(C)(CC)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599484126 460261555 /nfs/dbraw/zinc/26/15/55/460261555.db2.gz XFXHLZVMWLWHTR-UHFFFAOYSA-N 0 0 334.351 3.228 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CCCC1 ZINC000599500002 460263642 /nfs/dbraw/zinc/26/36/42/460263642.db2.gz FZILBNYPUVBPIY-NSHDSACASA-N 0 0 346.362 3.228 10 5 EGBERN Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)c(C)c1[N+](=O)[O-] ZINC000599506914 460264011 /nfs/dbraw/zinc/26/40/11/460264011.db2.gz OJXYRUGQRSLDOG-BBRMVZONSA-N 0 0 338.429 3.165 10 5 EGBERN CC(C)C1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611078897 460286915 /nfs/dbraw/zinc/28/69/15/460286915.db2.gz AIIBMEGZJPJMPW-JTQLQIEISA-N 0 0 326.780 3.130 10 5 EGBERN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599674438 460305585 /nfs/dbraw/zinc/30/55/85/460305585.db2.gz HILZOZLEGJRALC-ZBEGNZNMSA-N 0 0 337.807 3.451 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cn1 ZINC000611209886 460308810 /nfs/dbraw/zinc/30/88/10/460308810.db2.gz BHPMOLPBEPHTLG-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2Cc3ccccc3CO2)cccc1[N+](=O)[O-] ZINC000599701839 460316620 /nfs/dbraw/zinc/31/66/20/460316620.db2.gz MFMLUVMTMGKESK-HNNXBMFYSA-N 0 0 341.367 3.166 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccnc2)CC1 ZINC000611256410 460319803 /nfs/dbraw/zinc/31/98/03/460319803.db2.gz KGAGHLCDTIIIFQ-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611256264 460319814 /nfs/dbraw/zinc/31/98/14/460319814.db2.gz YGFMQBXTSMHIRK-UHFFFAOYSA-N 0 0 339.395 3.329 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599820072 460341510 /nfs/dbraw/zinc/34/15/10/460341510.db2.gz FLQGGBMMSPTXPF-OAHLLOKOSA-N 0 0 342.395 3.433 10 5 EGBERN O=C(NC[C@H]1CCCS1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829464 460342903 /nfs/dbraw/zinc/34/29/03/460342903.db2.gz CYTUBJNQNQGQRU-SNVBAGLBSA-N 0 0 332.385 3.160 10 5 EGBERN CO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)(C)C ZINC000599832008 460343726 /nfs/dbraw/zinc/34/37/26/460343726.db2.gz REBKODPBRNHRJH-OAHLLOKOSA-N 0 0 346.387 3.326 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599833181 460343819 /nfs/dbraw/zinc/34/38/19/460343819.db2.gz QPUAVPWZTRJZSH-ZSBIGDGJSA-N 0 0 344.371 3.221 10 5 EGBERN COC(C)(C)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832255 460343840 /nfs/dbraw/zinc/34/38/40/460343840.db2.gz UCJBGYXXBQUBKA-UHFFFAOYSA-N 0 0 332.360 3.032 10 5 EGBERN CC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOCC1 ZINC000599831009 460343845 /nfs/dbraw/zinc/34/38/45/460343845.db2.gz IJFYOUDWYWXNND-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN CC(C)OCCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832879 460343887 /nfs/dbraw/zinc/34/38/87/460343887.db2.gz MCQBZFCMLDEGKZ-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN C[C@@H]1N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOC1(C)C ZINC000599831246 460344061 /nfs/dbraw/zinc/34/40/61/460344061.db2.gz JPSNNMDHDNBCTB-NSHDSACASA-N 0 0 344.371 3.174 10 5 EGBERN CO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834882 460344796 /nfs/dbraw/zinc/34/47/96/460344796.db2.gz NQNFWZYCZAWWKE-GDBMZVCRSA-N 0 0 344.371 3.222 10 5 EGBERN O=C(NCC1CC(F)(F)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836207 460345633 /nfs/dbraw/zinc/34/56/33/460345633.db2.gz PXROAKQPHSVDJB-UHFFFAOYSA-N 0 0 336.298 3.310 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])CC1 ZINC000619419566 460350454 /nfs/dbraw/zinc/35/04/54/460350454.db2.gz UONLQQVIJYTFIX-UHFFFAOYSA-N 0 0 335.379 3.015 10 5 EGBERN COc1cc(CN2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502379 460379394 /nfs/dbraw/zinc/37/93/94/460379394.db2.gz RRTBNUZZOSNEDD-KOLCDFICSA-N 0 0 348.321 3.385 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000611507082 460381485 /nfs/dbraw/zinc/38/14/85/460381485.db2.gz XOCNETNGKHIPBI-JFGNBEQYSA-N 0 0 344.770 3.222 10 5 EGBERN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521532 460386241 /nfs/dbraw/zinc/38/62/41/460386241.db2.gz QMHVPXFVDYJPPC-MLGOLLRUSA-N 0 0 332.379 3.175 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000619578398 460387972 /nfs/dbraw/zinc/38/79/72/460387972.db2.gz JVUMQAZJILQCRY-RCCFBDPRSA-N 0 0 346.427 3.449 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(CC(F)(F)F)C2)c1 ZINC000619583783 460390788 /nfs/dbraw/zinc/39/07/88/460390788.db2.gz FKFRSHQTXFKZLA-UHFFFAOYSA-N 0 0 346.305 3.083 10 5 EGBERN C[C@H]1[C@@H](Nc2ccsc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590164 460392141 /nfs/dbraw/zinc/39/21/41/460392141.db2.gz DRUSMGIEHSKIIH-FZMZJTMJSA-N 0 0 331.397 3.258 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000611585486 460409679 /nfs/dbraw/zinc/40/96/79/460409679.db2.gz GLJHWXKRKRMQEB-LBPRGKRZSA-N 0 0 342.342 3.364 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2c2noc(C(C)C)n2)n1 ZINC000611616055 460414889 /nfs/dbraw/zinc/41/48/89/460414889.db2.gz NBTLRPSXLBMFJQ-LBPRGKRZSA-N 0 0 331.376 3.455 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000611615980 460415105 /nfs/dbraw/zinc/41/51/05/460415105.db2.gz RAYYYQZMHGDTET-UHFFFAOYSA-N 0 0 334.420 3.056 10 5 EGBERN CCc1nn(C)c(N2CC[C@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000619704617 460419452 /nfs/dbraw/zinc/41/94/52/460419452.db2.gz VVGIZCXCDBPNHA-QGZVFWFLSA-N 0 0 332.379 3.274 10 5 EGBERN O=C(Nc1cnoc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000604549295 460444802 /nfs/dbraw/zinc/44/48/02/460444802.db2.gz VAFCDKUNDICLDJ-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3cccc(C)c3)C2)c1 ZINC000611759065 460453111 /nfs/dbraw/zinc/45/31/11/460453111.db2.gz VOIGTXPLCLTXFV-UHFFFAOYSA-N 0 0 340.379 3.369 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619871546 460459350 /nfs/dbraw/zinc/45/93/50/460459350.db2.gz NPPYNZXPGVVLNI-WFASDCNBSA-N 0 0 336.351 3.005 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000600267010 460460974 /nfs/dbraw/zinc/46/09/74/460460974.db2.gz FCTAKEWKQJQUOX-UHFFFAOYSA-N 0 0 343.383 3.173 10 5 EGBERN COc1c(C(=O)N[C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000600300140 460467135 /nfs/dbraw/zinc/46/71/35/460467135.db2.gz YNQFVUXTGIMPEP-MRXNPFEDSA-N 0 0 341.367 3.270 10 5 EGBERN CC(C)(C(=O)N1CCC(=O)CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000600304126 460467668 /nfs/dbraw/zinc/46/76/68/460467668.db2.gz JLLTWXCIYYTBHV-UHFFFAOYSA-N 0 0 332.400 3.090 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000600389045 460487637 /nfs/dbraw/zinc/48/76/37/460487637.db2.gz PHBPPBRAMFDQHX-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000600391607 460487828 /nfs/dbraw/zinc/48/78/28/460487828.db2.gz FUQILENEEGWARQ-UHFFFAOYSA-N 0 0 330.331 3.161 10 5 EGBERN Cn1c(C(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)ccc1[N+](=O)[O-] ZINC000600475018 460500766 /nfs/dbraw/zinc/50/07/66/460500766.db2.gz DCLNJIMHJZTISU-CQSZACIVSA-N 0 0 345.374 3.481 10 5 EGBERN Cc1c(CNC(=O)NCC(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000616254640 460511187 /nfs/dbraw/zinc/51/11/87/460511187.db2.gz BYDAFODUVFYUNK-MRXNPFEDSA-N 0 0 349.431 3.298 10 5 EGBERN Cc1c(Br)c(N2CC[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000601188709 460744888 /nfs/dbraw/zinc/74/48/88/460744888.db2.gz MCOCVOMVCRSZCT-SSDOTTSWSA-N 0 0 340.099 3.202 10 5 EGBERN COc1ccc(CC(=O)NC2(C)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000612064808 460525350 /nfs/dbraw/zinc/52/53/50/460525350.db2.gz WUFKWXGOPFOFJL-UHFFFAOYSA-N 0 0 342.342 3.230 10 5 EGBERN COc1ccc2c(c1)C1(CC1)CN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC000601166892 460738414 /nfs/dbraw/zinc/73/84/14/460738414.db2.gz WRJCCFHODFMLJU-UHFFFAOYSA-N 0 0 329.331 3.189 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1C ZINC000601220803 460755428 /nfs/dbraw/zinc/75/54/28/460755428.db2.gz CQPPKNNYTGPZMS-UHFFFAOYSA-N 0 0 349.366 3.231 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000601225964 460756318 /nfs/dbraw/zinc/75/63/18/460756318.db2.gz CDVJMUHJIUVDBX-CYBMUJFWSA-N 0 0 326.356 3.320 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NCc1c(Cl)cccc1OC(F)F ZINC000601260112 460767280 /nfs/dbraw/zinc/76/72/80/460767280.db2.gz LXRXFFFHYJVIHZ-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000601281015 460774456 /nfs/dbraw/zinc/77/44/56/460774456.db2.gz KLUOSCLKRNGOQA-CXAGYDPISA-N 0 0 343.383 3.162 10 5 EGBERN O=C(NCCc1cccc(O)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601343389 460791229 /nfs/dbraw/zinc/79/12/29/460791229.db2.gz OKZFPPRQCOZIOH-UHFFFAOYSA-N 0 0 340.379 3.081 10 5 EGBERN C[C@H]1CCn2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)nc2C1 ZINC000601353982 460794044 /nfs/dbraw/zinc/79/40/44/460794044.db2.gz VCCIKMRBGUBADU-JTQLQIEISA-N 0 0 325.328 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(C4CCOCC4)no3)CCC2)cc1 ZINC000601362392 460796178 /nfs/dbraw/zinc/79/61/78/460796178.db2.gz UWRSTDVXHGWGFC-UHFFFAOYSA-N 0 0 329.356 3.342 10 5 EGBERN CCOc1cccc(N2CCN(C(=O)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000613042328 460810040 /nfs/dbraw/zinc/81/00/40/460810040.db2.gz GJZNOLFXSRCWMO-UHFFFAOYSA-N 0 0 349.431 3.078 10 5 EGBERN Cc1c(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601594991 460841779 /nfs/dbraw/zinc/84/17/79/460841779.db2.gz DQINKGOZJIMRQZ-DLBZAZTESA-N 0 0 347.415 3.050 10 5 EGBERN O=C(NC/C=C/c1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601598707 460842886 /nfs/dbraw/zinc/84/28/86/460842886.db2.gz KHQGSFQWXKWDNU-GORDUTHDSA-N 0 0 337.379 3.241 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000601617038 460848011 /nfs/dbraw/zinc/84/80/11/460848011.db2.gz KDCFLSGZCQPCIA-LBPRGKRZSA-N 0 0 329.331 3.067 10 5 EGBERN C[C@@]1(C2CC2)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601665101 460863438 /nfs/dbraw/zinc/86/34/38/460863438.db2.gz CYGQUXDZLSALJG-SFHVURJKSA-N 0 0 344.411 3.044 10 5 EGBERN CNc1c(C(=O)N2CC(Cc3cccc(C)c3)C2)cccc1[N+](=O)[O-] ZINC000613234765 460877626 /nfs/dbraw/zinc/87/76/26/460877626.db2.gz PTSTWODGAJDEMU-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601742783 460887324 /nfs/dbraw/zinc/88/73/24/460887324.db2.gz JRWZPOQJSQGIHZ-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN O=C(N[C@@]12C[C@@H]1CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601773203 460894407 /nfs/dbraw/zinc/89/44/07/460894407.db2.gz KGASWSGCRQXMGK-KXBFYZLASA-N 0 0 343.427 3.260 10 5 EGBERN CCc1sc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000601782340 460896256 /nfs/dbraw/zinc/89/62/56/460896256.db2.gz YPLKUHOCLNVFLO-KRWDZBQOSA-N 0 0 348.424 3.165 10 5 EGBERN Cc1cccc(C(=O)NCC2([C@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC000601858330 460927988 /nfs/dbraw/zinc/92/79/88/460927988.db2.gz YDQZJNCUHCUYIQ-OAHLLOKOSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601883886 460935741 /nfs/dbraw/zinc/93/57/41/460935741.db2.gz JNLRCSNYFCAOGU-JKSUJKDBSA-N 0 0 340.383 3.334 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601887720 460936748 /nfs/dbraw/zinc/93/67/48/460936748.db2.gz SWOHBGNOVZBRMS-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1c(CNc2ccn(C3CCSCC3)n2)cccc1[N+](=O)[O-] ZINC000601929118 460948826 /nfs/dbraw/zinc/94/88/26/460948826.db2.gz ZZMVKWKMKTZSAZ-UHFFFAOYSA-N 0 0 332.429 3.202 10 5 EGBERN C[C@H](Nc1ccn(C2CCSCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000601931810 460949446 /nfs/dbraw/zinc/94/94/46/460949446.db2.gz CZIYEYXKGSZALK-LBPRGKRZSA-N 0 0 332.429 3.454 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCO2)c1 ZINC000167589463 533734559 /nfs/dbraw/zinc/73/45/59/533734559.db2.gz KHVUBYXOYHQZPL-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000154805526 534466697 /nfs/dbraw/zinc/46/66/97/534466697.db2.gz OQPCVMQAXBWVNL-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cccc(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)c1[N+](=O)[O-] ZINC000181925327 534606266 /nfs/dbraw/zinc/60/62/66/534606266.db2.gz FMXZYQKENZHFQF-CQSZACIVSA-N 0 0 348.399 3.099 10 5 EGBERN CC(C)[C@H]1C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187452956 527885508 /nfs/dbraw/zinc/88/55/08/527885508.db2.gz MHUKFJIPZOFUGZ-IAGOWNOFSA-N 0 0 332.400 3.257 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C12CCCC2 ZINC000183595374 528070336 /nfs/dbraw/zinc/07/03/36/528070336.db2.gz MSNIIXABVFVYIU-CABCVRRESA-N 0 0 348.403 3.191 10 5 EGBERN CCCc1nnc(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000133155137 528780629 /nfs/dbraw/zinc/78/06/29/528780629.db2.gz CFFUJRNNYZYHCT-SOFGYWHQSA-N 0 0 349.368 3.268 10 5 EGBERN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)nn(C)c1C ZINC000347912916 535922129 /nfs/dbraw/zinc/92/21/29/535922129.db2.gz MVRLOIGJUJWXJC-ZDUSSCGKSA-N 0 0 343.387 3.327 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1ccsc1 ZINC000356252162 536134944 /nfs/dbraw/zinc/13/49/44/536134944.db2.gz KGNRDOYIUWRARS-CJNGLKHVSA-N 0 0 348.424 3.075 10 5 EGBERN COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103376672 536825799 /nfs/dbraw/zinc/82/57/99/536825799.db2.gz CNNRILMTXGYSDK-GFCCVEGCSA-N 0 0 326.352 3.124 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NC1CCN(c2ccccn2)CC1 ZINC000365289880 547776662 /nfs/dbraw/zinc/77/66/62/547776662.db2.gz BMOGDLVPDWGZBJ-UHFFFAOYSA-N 0 0 349.394 3.041 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000728154704 574722676 /nfs/dbraw/zinc/72/26/76/574722676.db2.gz OEPJSMCAIYDADC-UHFFFAOYSA-N 0 0 348.330 3.212 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000728252091 574733779 /nfs/dbraw/zinc/73/37/79/574733779.db2.gz CJLPDGAGOVCAMJ-HNNXBMFYSA-N 0 0 330.315 3.214 10 5 EGBERN CC(=O)Nc1cccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c1 ZINC000728989098 574791881 /nfs/dbraw/zinc/79/18/81/574791881.db2.gz YDUFBNFULQPIAR-UHFFFAOYSA-N 0 0 332.287 3.049 10 5 EGBERN COc1ccc2[nH]cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000730361660 574977865 /nfs/dbraw/zinc/97/78/65/574977865.db2.gz AXUAYKFVXZSRIK-UHFFFAOYSA-N 0 0 340.335 3.484 10 5 EGBERN CC(C)C(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000730845691 575027136 /nfs/dbraw/zinc/02/71/36/575027136.db2.gz ICUVKTCPJPHDKR-ZDUSSCGKSA-N 0 0 348.399 3.213 10 5 EGBERN COc1ccc(COCCOC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000731076659 575051146 /nfs/dbraw/zinc/05/11/46/575051146.db2.gz HIDBICPPHSRLLB-UHFFFAOYSA-N 0 0 345.351 3.285 10 5 EGBERN COc1ccc(CNC(=O)/C=C(\C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000731977391 575228643 /nfs/dbraw/zinc/22/86/43/575228643.db2.gz QLZYQTASWZRVKR-XYOKQWHBSA-N 0 0 344.342 3.462 10 5 EGBERN CC[C@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000732202111 575244016 /nfs/dbraw/zinc/24/40/16/575244016.db2.gz USHAOGXDPGVUAN-GOSISDBHSA-N 0 0 346.358 3.302 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000732403763 575267166 /nfs/dbraw/zinc/26/71/66/575267166.db2.gz UZUAAGUUERANIA-CMDGGOBGSA-N 0 0 331.328 3.290 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc3c2OCCO3)c1 ZINC000733331953 575328866 /nfs/dbraw/zinc/32/88/66/575328866.db2.gz OQYQQRUATLNQEY-UHFFFAOYSA-N 0 0 334.759 3.309 10 5 EGBERN CN(C)c1cc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000733569987 575364590 /nfs/dbraw/zinc/36/45/90/575364590.db2.gz HDFIGMHMRCZWMV-UHFFFAOYSA-N 0 0 349.774 3.109 10 5 EGBERN CC[S@@](=O)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000733893739 575411219 /nfs/dbraw/zinc/41/12/19/575411219.db2.gz KEUJKYOCZCZMBW-OAQYLSRUSA-N 0 0 344.742 3.448 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000734404950 575481133 /nfs/dbraw/zinc/48/11/33/575481133.db2.gz OPDONDJIJGKOSK-RYUDHWBXSA-N 0 0 335.360 3.449 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(N2CCCC2=O)cc1 ZINC000735486494 575668220 /nfs/dbraw/zinc/66/82/20/575668220.db2.gz FAHNBMMANOTFMZ-GFCCVEGCSA-N 0 0 326.356 3.290 10 5 EGBERN CCc1cnc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)s1 ZINC000742419164 576782242 /nfs/dbraw/zinc/78/22/42/576782242.db2.gz VHRGVSUPPSZLJB-UHFFFAOYSA-N 0 0 336.392 3.079 10 5 EGBERN Cn1c(C(=O)OCCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000744214315 576823325 /nfs/dbraw/zinc/82/33/25/576823325.db2.gz CDYFTKUDQGCAAC-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN O=C(OCCN1CCCc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC000744251685 576824007 /nfs/dbraw/zinc/82/40/07/576824007.db2.gz BQOSJLXIEXJGKW-UHFFFAOYSA-N 0 0 332.381 3.266 10 5 EGBERN C[C@H](OC(=O)CN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000744362013 576826487 /nfs/dbraw/zinc/82/64/87/576826487.db2.gz NVRWBZPZYXCXGR-ZDUSSCGKSA-N 0 0 326.352 3.262 10 5 EGBERN CC(C)C[C@H]1CC(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1 ZINC000744430741 576828028 /nfs/dbraw/zinc/82/80/28/576828028.db2.gz IPILMJGTMZGLFJ-KBPBESRZSA-N 0 0 331.416 3.198 10 5 EGBERN COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000744915624 576836871 /nfs/dbraw/zinc/83/68/71/576836871.db2.gz NVAYXVONDSGHST-OAHLLOKOSA-N 0 0 347.298 3.113 10 5 EGBERN C[C@@H](CC(=O)OCc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000745460567 576848241 /nfs/dbraw/zinc/84/82/41/576848241.db2.gz XLMRSOBOCKVWDD-VIFPVBQESA-N 0 0 344.389 3.003 10 5 EGBERN C[C@@H](O)c1nc2ccccc2n1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000006295073 1291041513 /nfs/dbraw/zinc/04/15/13/1291041513.db2.gz QTVHMPRDKGLTFE-JATZPVMKSA-N 0 0 337.335 3.351 10 5 EGBERN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc(F)cc1F ZINC000008076536 1291097880 /nfs/dbraw/zinc/09/78/80/1291097880.db2.gz OBXDDWWVYXZIEI-DAFODLJHSA-N 0 0 348.261 3.254 10 5 EGBERN CCc1ccc(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119333204 1293264945 /nfs/dbraw/zinc/26/49/45/1293264945.db2.gz BSFOKUIZWOIGIN-UHFFFAOYSA-N 0 0 340.426 3.039 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 ZINC000155760712 1294113483 /nfs/dbraw/zinc/11/34/83/1294113483.db2.gz ZWIHGPBOTCMTGJ-UHFFFAOYSA-N 0 0 349.274 3.211 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171118306 1294394591 /nfs/dbraw/zinc/39/45/91/1294394591.db2.gz ANWMYGLLAZALDO-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000869926583 1295541503 /nfs/dbraw/zinc/54/15/03/1295541503.db2.gz KFDAPHOHFZSGNO-JIMOISOXSA-N 0 0 346.280 3.173 10 5 EGBERN CSc1cccc(C(=O)OCCOC(F)(F)F)c1[N+](=O)[O-] ZINC000870491648 1295901775 /nfs/dbraw/zinc/90/17/75/1295901775.db2.gz NJMJKCRKNKRAAR-UHFFFAOYSA-N 0 0 325.264 3.010 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn2c1CCCC2 ZINC000870695967 1296024941 /nfs/dbraw/zinc/02/49/41/1296024941.db2.gz VVNMHWGMGZFYTH-BENRWUELSA-N 0 0 326.356 3.170 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000870727069 1296046779 /nfs/dbraw/zinc/04/67/79/1296046779.db2.gz ZSVAJBDESWGWEY-CMPLNLGQSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccccc1SCC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870826558 1296105150 /nfs/dbraw/zinc/10/51/50/1296105150.db2.gz FYQFQVDEYAZLFQ-UHFFFAOYSA-N 0 0 347.396 3.139 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1(C(F)(F)F)CCCC1 ZINC000870828973 1296106052 /nfs/dbraw/zinc/10/60/52/1296106052.db2.gz YTPXPSOCHVOFLG-UHFFFAOYSA-N 0 0 347.293 3.161 10 5 EGBERN C/C(=C/C(=O)Nc1c2c(nn1C)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000870880274 1296127175 /nfs/dbraw/zinc/12/71/75/1296127175.db2.gz RCSAPXYZCFLCNI-QXMHVHEDSA-N 0 0 340.383 3.249 10 5 EGBERN CC(C)(NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000871162574 1296251358 /nfs/dbraw/zinc/25/13/58/1296251358.db2.gz GOJIICFNMKXSJZ-CQSZACIVSA-N 0 0 338.429 3.151 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000871294898 1296324680 /nfs/dbraw/zinc/32/46/80/1296324680.db2.gz WGSFDBPEALSPNL-CJNGLKHVSA-N 0 0 343.383 3.011 10 5 EGBERN CCn1c(SC[C@H]2C[C@@H](OC)C2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000871659208 1296470492 /nfs/dbraw/zinc/47/04/92/1296470492.db2.gz FFQSVDGSVNANEB-VDISTLRHSA-N 0 0 348.428 3.390 10 5 EGBERN Cc1csc([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000871751915 1296518558 /nfs/dbraw/zinc/51/85/58/1296518558.db2.gz TYYPAEBACNQZOO-NSHDSACASA-N 0 0 332.385 3.381 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000871756566 1296520435 /nfs/dbraw/zinc/52/04/35/1296520435.db2.gz XGXJMHPVPALPGS-CABZTGNLSA-N 0 0 347.293 3.168 10 5 EGBERN Cc1ccc(CNc2ccc(F)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000871839871 1296559290 /nfs/dbraw/zinc/55/92/90/1296559290.db2.gz WEJACQHEHXBHJV-UHFFFAOYSA-N 0 0 345.374 3.491 10 5 EGBERN Cc1ccc(C(=O)NCCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024188 1296670252 /nfs/dbraw/zinc/67/02/52/1296670252.db2.gz OYVCELHPRKKEBS-ZDUSSCGKSA-N 0 0 345.374 3.123 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000872085024 1296725566 /nfs/dbraw/zinc/72/55/66/1296725566.db2.gz MLSVJPPTUBFQQX-OUJBWJOFSA-N 0 0 333.417 3.265 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)nc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309561556 1297073891 /nfs/dbraw/zinc/07/38/91/1297073891.db2.gz RLUQRORXCUSTIB-CYBMUJFWSA-N 0 0 333.775 3.297 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000874091634 1297784512 /nfs/dbraw/zinc/78/45/12/1297784512.db2.gz AMDUNGDOJCIUHC-KCPJHIHWSA-N 0 0 348.399 3.140 10 5 EGBERN CC[C@@H]1C[C@@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000585125454 1298033634 /nfs/dbraw/zinc/03/36/34/1298033634.db2.gz SSXIFMVQGUCUND-SWLSCSKDSA-N 0 0 343.383 3.099 10 5 EGBERN O=[N+]([O-])c1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1Br ZINC000715417366 1298279533 /nfs/dbraw/zinc/27/95/33/1298279533.db2.gz HWNZUYOFVCNVFC-DTORHVGOSA-N 0 0 333.132 3.054 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCO2 ZINC000875678520 1298438324 /nfs/dbraw/zinc/43/83/24/1298438324.db2.gz BQBYPOPVBYSWAD-GJZGRUSLSA-N 0 0 340.763 3.120 10 5 EGBERN Cn1cc(CNc2cc(Cl)ccc2OC(F)F)c([N+](=O)[O-])n1 ZINC000877599441 1299423726 /nfs/dbraw/zinc/42/37/26/1299423726.db2.gz ZQYPIWDBFDJZNS-UHFFFAOYSA-N 0 0 332.694 3.195 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000878499483 1300038601 /nfs/dbraw/zinc/03/86/01/1300038601.db2.gz VGRSVQBXQMEIEB-LBPRGKRZSA-N 0 0 334.372 3.018 10 5 EGBERN O=C(N[C@H]1CC12CCCCC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879373453 1300504682 /nfs/dbraw/zinc/50/46/82/1300504682.db2.gz UKKFJZOLYIZNLF-INIZCTEOSA-N 0 0 346.383 3.209 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000882195337 1301874741 /nfs/dbraw/zinc/87/47/41/1301874741.db2.gz XZHGWKFANLQHSI-ZDUSSCGKSA-N 0 0 348.399 3.356 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000882393649 1301944649 /nfs/dbraw/zinc/94/46/49/1301944649.db2.gz CGJYDCICERYSID-GFCCVEGCSA-N 0 0 346.305 3.344 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000882445967 1301968933 /nfs/dbraw/zinc/96/89/33/1301968933.db2.gz AJZSSFJPYHUYPZ-IINYFYTJSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1F ZINC000882621594 1302036929 /nfs/dbraw/zinc/03/69/29/1302036929.db2.gz QCOZLYUGEPEVFN-JGFGOQIWSA-N 0 0 336.363 3.055 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)ccc1[N+](=O)[O-] ZINC000884699405 1302956029 /nfs/dbraw/zinc/95/60/29/1302956029.db2.gz BUDQOXRISRGZBR-MCTKYDIJSA-N 0 0 348.399 3.182 10 5 EGBERN C/C(=C/C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000885473511 1303153963 /nfs/dbraw/zinc/15/39/63/1303153963.db2.gz HHNNUCLZEXILET-YVLRFXNPSA-N 0 0 344.411 3.320 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000885485444 1303160812 /nfs/dbraw/zinc/16/08/12/1303160812.db2.gz FXISDBADUAHCTH-DZJNRPSUSA-N 0 0 344.411 3.020 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888825799 1304292315 /nfs/dbraw/zinc/29/23/15/1304292315.db2.gz SRVDEEYJNLGWTO-KXBFYZLASA-N 0 0 337.379 3.070 10 5 EGBERN C/C(=C\C(=O)NC1CC2(C1)COC(C)(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000889727484 1304575228 /nfs/dbraw/zinc/57/52/28/1304575228.db2.gz NUOXUMQNURUSQT-MDWZMJQESA-N 0 0 344.411 3.462 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000890443864 1304789412 /nfs/dbraw/zinc/78/94/12/1304789412.db2.gz IOFIHZPYMYFSKX-INIZCTEOSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000890768273 1304876136 /nfs/dbraw/zinc/87/61/36/1304876136.db2.gz CRHCNWICVZSXKB-BXKDBHETSA-N 0 0 339.189 3.442 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000890770665 1304876854 /nfs/dbraw/zinc/87/68/54/1304876854.db2.gz OFAJMWCUKNVDCV-DGCLKSJQSA-N 0 0 334.372 3.087 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000893522795 1305947885 /nfs/dbraw/zinc/94/78/85/1305947885.db2.gz FUQXURDZMNCARX-GFCCVEGCSA-N 0 0 347.396 3.080 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC2(c3ncccn3)CCC2)cc1Cl ZINC000893658923 1306014467 /nfs/dbraw/zinc/01/44/67/1306014467.db2.gz LZMUYPKLSJYFJU-UHFFFAOYSA-N 0 0 346.774 3.156 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000894504923 1308927738 /nfs/dbraw/zinc/92/77/38/1308927738.db2.gz YUSBOYALHHGMHX-LBPRGKRZSA-N 0 0 343.383 3.078 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000894525004 1308937406 /nfs/dbraw/zinc/93/74/06/1308937406.db2.gz BMXUPSRLXGAGKT-IXDOHACOSA-N 0 0 344.411 3.164 10 5 EGBERN C[C@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894652133 1309003418 /nfs/dbraw/zinc/00/34/18/1309003418.db2.gz GCFVKSSFEHRYDY-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN COc1cc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000894664365 1309010988 /nfs/dbraw/zinc/01/09/88/1309010988.db2.gz REBCNTXOKNHXNP-KRWDZBQOSA-N 0 0 348.399 3.073 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000895446015 1309341398 /nfs/dbraw/zinc/34/13/98/1309341398.db2.gz NXBHLRCLJYOHBQ-GWCFXTLKSA-N 0 0 332.278 3.319 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccs3)C2)c1C ZINC000896983253 1310119510 /nfs/dbraw/zinc/11/95/10/1310119510.db2.gz NSZLZROBOWXYPX-CQSZACIVSA-N 0 0 346.408 3.487 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000897541294 1310370694 /nfs/dbraw/zinc/37/06/94/1310370694.db2.gz OWYDGTZCZCZIAJ-YPMHNXCESA-N 0 0 329.356 3.287 10 5 EGBERN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)n1ccnc1 ZINC000898899128 1310864714 /nfs/dbraw/zinc/86/47/14/1310864714.db2.gz IDEQXUFBTNEKOL-UHFFFAOYSA-N 0 0 344.396 3.171 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000857681327 1328582646 /nfs/dbraw/zinc/58/26/46/1328582646.db2.gz IXIBRKWIUDKCJY-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](Oc3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000858009316 1328655113 /nfs/dbraw/zinc/65/51/13/1328655113.db2.gz SQMFSMYSQFKLFY-OAHLLOKOSA-N 0 0 341.367 3.159 10 5 EGBERN CNc1c(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000899488435 1317052774 /nfs/dbraw/zinc/05/27/74/1317052774.db2.gz QFORXBJKXKZNLV-KRWDZBQOSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)[nH]c1C ZINC000899504197 1317058748 /nfs/dbraw/zinc/05/87/48/1317058748.db2.gz IQSVOCKNMUCFHG-UHFFFAOYSA-N 0 0 348.428 3.324 10 5 EGBERN CC[C@@](O)(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059866 1328775462 /nfs/dbraw/zinc/77/54/62/1328775462.db2.gz DHMQEIRMIPYHJD-CQSZACIVSA-N 0 0 332.322 3.263 10 5 EGBERN C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000858520073 1328786992 /nfs/dbraw/zinc/78/69/92/1328786992.db2.gz CMBKPHFJYYHXOF-LLVKDONJSA-N 0 0 346.387 3.468 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1coc(C2CC2)n1 ZINC000913385404 1319020660 /nfs/dbraw/zinc/02/06/60/1319020660.db2.gz ZUUHBEVYIPXHRA-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN CCn1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1C ZINC000913388155 1319022957 /nfs/dbraw/zinc/02/29/57/1319022957.db2.gz WSRWAIMHQTUDKK-UHFFFAOYSA-N 0 0 339.754 3.447 10 5 EGBERN Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc(Cl)n1 ZINC000858593595 1328804246 /nfs/dbraw/zinc/80/42/46/1328804246.db2.gz GKBFTKWRGHKWHK-UHFFFAOYSA-N 0 0 346.774 3.448 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913667461 1319092003 /nfs/dbraw/zinc/09/20/03/1319092003.db2.gz FLBWGQZWWVWIHA-WPRPVWTQSA-N 0 0 330.743 3.027 10 5 EGBERN CCn1ncc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000913813614 1319133568 /nfs/dbraw/zinc/13/35/68/1319133568.db2.gz BNNARAFLGBAKDV-UHFFFAOYSA-N 0 0 336.779 3.344 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000858692596 1328832692 /nfs/dbraw/zinc/83/26/92/1328832692.db2.gz XQWYFLUREOGPRL-CYBMUJFWSA-N 0 0 348.403 3.334 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N(C[C@@H]1CCOC1)C1CC1 ZINC000858768176 1328856813 /nfs/dbraw/zinc/85/68/13/1328856813.db2.gz IGZKAXKUVBWROZ-ZDUSSCGKSA-N 0 0 340.379 3.389 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3coc(C4CC4)n3)no2)cc1F ZINC000858832329 1328870558 /nfs/dbraw/zinc/87/05/58/1328870558.db2.gz TYYDBHYQMDCVOW-UHFFFAOYSA-N 0 0 346.274 3.228 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000858837152 1328871962 /nfs/dbraw/zinc/87/19/62/1328871962.db2.gz LWPNMVBXVCGOLR-CQSZACIVSA-N 0 0 328.368 3.441 10 5 EGBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2cc(C)c([N+](=O)[O-])cc2Cl)n1 ZINC000858848448 1328875630 /nfs/dbraw/zinc/87/56/30/1328875630.db2.gz YAQUPYDLNKUZRQ-GXFFZTMASA-N 0 0 338.751 3.190 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859367340 1328977333 /nfs/dbraw/zinc/97/73/33/1328977333.db2.gz CUVUNSXBHKUETH-CYBMUJFWSA-N 0 0 328.368 3.247 10 5 EGBERN CN(Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000859380895 1328979487 /nfs/dbraw/zinc/97/94/87/1328979487.db2.gz YJBCZXMOQWFRMX-UHFFFAOYSA-N 0 0 327.384 3.068 10 5 EGBERN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)(C)C ZINC000859422873 1328984934 /nfs/dbraw/zinc/98/49/34/1328984934.db2.gz CIGDWJNVPPOFPU-HNNXBMFYSA-N 0 0 344.367 3.066 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000930882316 1328994882 /nfs/dbraw/zinc/99/48/82/1328994882.db2.gz FVIUYQDWRXYBEC-SNVBAGLBSA-N 0 0 339.417 3.399 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C)nc1Cl ZINC000919253076 1322045298 /nfs/dbraw/zinc/04/52/98/1322045298.db2.gz GCSMSMTUEMRSAH-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC1 ZINC000920146384 1322144511 /nfs/dbraw/zinc/14/45/11/1322144511.db2.gz FZRJCQJITZUAFY-UHFFFAOYSA-N 0 0 333.262 3.336 10 5 EGBERN CCc1[nH]nc(Cl)c1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000921835426 1322408008 /nfs/dbraw/zinc/40/80/08/1322408008.db2.gz USPLAZNRRNDDIX-UHFFFAOYSA-N 0 0 329.187 3.477 10 5 EGBERN Cc1c(CNC(=O)N2CCC[C@@H]2COC(C)(C)C)cccc1[N+](=O)[O-] ZINC000922167569 1322470340 /nfs/dbraw/zinc/47/03/40/1322470340.db2.gz FBSNIRSRWXZLOK-OAHLLOKOSA-N 0 0 349.431 3.392 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CCCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922168283 1322470434 /nfs/dbraw/zinc/47/04/34/1322470434.db2.gz NWEPAFYZOBVIFU-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1c(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000922168616 1322471149 /nfs/dbraw/zinc/47/11/49/1322471149.db2.gz TVIQPFZNTJVSGA-LQDVMPOASA-N 0 0 349.456 3.377 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cc(Cl)n(C)n1 ZINC000859621054 1329037026 /nfs/dbraw/zinc/03/70/26/1329037026.db2.gz HKNYEKHYDLLRAR-UHFFFAOYSA-N 0 0 337.763 3.264 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000923133539 1322699276 /nfs/dbraw/zinc/69/92/76/1322699276.db2.gz STHHAPLUFATXEV-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCO[C@H]1C1CC1 ZINC000923201241 1322710824 /nfs/dbraw/zinc/71/08/24/1322710824.db2.gz SFNRWMLMYRVYHC-OCCSQVGLSA-N 0 0 325.748 3.107 10 5 EGBERN C[C@@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923331729 1322734596 /nfs/dbraw/zinc/73/45/96/1322734596.db2.gz FRNONNUXUKNUHN-LLVKDONJSA-N 0 0 332.356 3.045 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCc1ccc([N+](=O)[O-])cc1 ZINC000923723813 1322797953 /nfs/dbraw/zinc/79/79/53/1322797953.db2.gz CJFGJMFABSGUGG-NEPJUHHUSA-N 0 0 333.262 3.138 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000923910081 1322844631 /nfs/dbraw/zinc/84/46/31/1322844631.db2.gz JDSZCJMHWLNMAF-HNNXBMFYSA-N 0 0 349.431 3.392 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc(C[C@@H]2CCCO2)no1 ZINC000923963927 1322857363 /nfs/dbraw/zinc/85/73/63/1322857363.db2.gz ORAWNBPBOVNBCJ-JTQLQIEISA-N 0 0 337.763 3.138 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1CCC[C@@H](O)C1 ZINC000923966008 1322858739 /nfs/dbraw/zinc/85/87/39/1322858739.db2.gz BHVZZDUMHYJGQU-NWDGAFQWSA-N 0 0 341.791 3.275 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1OC ZINC000924038808 1322881549 /nfs/dbraw/zinc/88/15/49/1322881549.db2.gz DKUYJRRNAJKGCG-XQHKEYJVSA-N 0 0 348.399 3.024 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931139262 1329058778 /nfs/dbraw/zinc/05/87/78/1329058778.db2.gz BHOOHBMYAXJZAA-SJORKVTESA-N 0 0 338.363 3.296 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000924345744 1322990311 /nfs/dbraw/zinc/99/03/11/1322990311.db2.gz HNMXJBQPKFCJSS-CVEARBPZSA-N 0 0 331.416 3.215 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@]2(C)C=CCC2)cccc1[N+](=O)[O-] ZINC000924410320 1323011142 /nfs/dbraw/zinc/01/11/42/1323011142.db2.gz ODTYBVWODJOQSB-SJKOYZFVSA-N 0 0 332.356 3.130 10 5 EGBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)Cc2c[nH]nc21 ZINC000931462795 1329124433 /nfs/dbraw/zinc/12/44/33/1329124433.db2.gz SITWCKYLXGJBRL-SECBINFHSA-N 0 0 340.305 3.456 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H]2COCC[C@H]21 ZINC000860000654 1329125073 /nfs/dbraw/zinc/12/50/73/1329125073.db2.gz NMHMDHNHICTGEI-KBXCAEBGSA-N 0 0 340.379 3.389 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054003 1329135659 /nfs/dbraw/zinc/13/56/59/1329135659.db2.gz FNEPSUKEBTXDNI-GHMZBOCLSA-N 0 0 334.401 3.038 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC12CC2 ZINC000860180604 1329168090 /nfs/dbraw/zinc/16/80/90/1329168090.db2.gz RPVDIGQYNBOPNT-CYBMUJFWSA-N 0 0 343.339 3.268 10 5 EGBERN C[C@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860179198 1329168295 /nfs/dbraw/zinc/16/82/95/1329168295.db2.gz HVXRHHKGHBKCTI-RYUDHWBXSA-N 0 0 332.356 3.045 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1Cl ZINC000860267844 1329185031 /nfs/dbraw/zinc/18/50/31/1329185031.db2.gz VTQRQHHBECEMCZ-UHFFFAOYSA-N 0 0 348.790 3.490 10 5 EGBERN C[C@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860319182 1329304288 /nfs/dbraw/zinc/30/42/88/1329304288.db2.gz IAFDGBWIXTZQFN-IUCAKERBSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000860319180 1329304335 /nfs/dbraw/zinc/30/43/35/1329304335.db2.gz IAFDGBWIXTZQFN-BDAKNGLRSA-N 0 0 348.277 3.054 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N(CCCCO)C1CC1 ZINC000860388361 1329312211 /nfs/dbraw/zinc/31/22/11/1329312211.db2.gz XPZMGASFCWYWHN-UHFFFAOYSA-N 0 0 328.368 3.125 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CCCOC1 ZINC000860681443 1329343978 /nfs/dbraw/zinc/34/39/78/1329343978.db2.gz NUEOQLNSFRZHPW-OCCSQVGLSA-N 0 0 328.368 3.293 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(C)nnc1C ZINC000861062075 1329383746 /nfs/dbraw/zinc/38/37/46/1329383746.db2.gz XQSHAXWKENJPDA-OAHLLOKOSA-N 0 0 343.383 3.314 10 5 EGBERN C[C@H](C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927308097 1327966614 /nfs/dbraw/zinc/96/66/14/1327966614.db2.gz SXRBNMCVDNEOMT-NQYLQCIDSA-N 0 0 336.391 3.498 10 5 EGBERN C[C@H](C(=O)NCc1nccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000927613231 1328078450 /nfs/dbraw/zinc/07/84/50/1328078450.db2.gz TXGZCJHNALHYKP-ZDUSSCGKSA-N 0 0 339.395 3.289 10 5 EGBERN Cc1cc(F)cc(C(=O)NCc2nccc3c2CCCC3)c1[N+](=O)[O-] ZINC000927618279 1328081496 /nfs/dbraw/zinc/08/14/96/1328081496.db2.gz VWSZKDUKUBSTTF-UHFFFAOYSA-N 0 0 343.358 3.246 10 5 EGBERN COC1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC000928247359 1328254156 /nfs/dbraw/zinc/25/41/56/1328254156.db2.gz TZZROGMCZFKMML-LLVKDONJSA-N 0 0 342.342 3.367 10 5 EGBERN C/C(=C\C(=O)N[C@H](c1ncccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928582280 1328362038 /nfs/dbraw/zinc/36/20/38/1328362038.db2.gz TXVFSTRNYNTUBZ-FLVLSHQESA-N 0 0 338.367 3.056 10 5 EGBERN O=C(C[C@@H]1CCCO1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443823 1329418578 /nfs/dbraw/zinc/41/85/78/1329418578.db2.gz GTFGNBHYHIIWOO-WCQYABFASA-N 0 0 333.262 3.311 10 5 EGBERN O=C(CCn1cccn1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861444759 1329418784 /nfs/dbraw/zinc/41/87/84/1329418784.db2.gz RQNVUYFECUXASI-ZDUSSCGKSA-N 0 0 343.261 3.028 10 5 EGBERN Cc1ccc(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000929132894 1328515303 /nfs/dbraw/zinc/51/53/03/1328515303.db2.gz IFUIUDUCRYRAAG-ZYHUDNBSSA-N 0 0 332.278 3.342 10 5 EGBERN CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861524084 1329423945 /nfs/dbraw/zinc/42/39/45/1329423945.db2.gz QXWNAPQNUJNFAV-GFCCVEGCSA-N 0 0 344.367 3.162 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000861896092 1329448832 /nfs/dbraw/zinc/44/88/32/1329448832.db2.gz HTUUCPMBXYNMRZ-BXUZGUMPSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000861896094 1329448841 /nfs/dbraw/zinc/44/88/41/1329448841.db2.gz HTUUCPMBXYNMRZ-FZMZJTMJSA-N 0 0 340.807 3.429 10 5 EGBERN C[C@H](CO)C1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000862131320 1329460739 /nfs/dbraw/zinc/46/07/39/1329460739.db2.gz YDHMDNBUTYJRTQ-CYBMUJFWSA-N 0 0 342.395 3.229 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1Cl ZINC000862146256 1329462021 /nfs/dbraw/zinc/46/20/21/1329462021.db2.gz DTFKXVLMZQFYCN-NSHDSACASA-N 0 0 338.791 3.470 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000862898206 1329518323 /nfs/dbraw/zinc/51/83/23/1329518323.db2.gz OCIZDJHENFJHTC-SHTZXODSSA-N 0 0 328.453 3.312 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000862901438 1329518513 /nfs/dbraw/zinc/51/85/13/1329518513.db2.gz MZFULQFVXUQGOY-UHFFFAOYSA-N 0 0 341.358 3.360 10 5 EGBERN CC(C)(CCC(=O)NCc1cn(C(F)F)c2ccccc12)[N+](=O)[O-] ZINC000863131313 1329530294 /nfs/dbraw/zinc/53/02/94/1329530294.db2.gz BRBQMUOVWLBRMN-UHFFFAOYSA-N 0 0 339.342 3.488 10 5 EGBERN C/C=C/C[C@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000863340513 1329548498 /nfs/dbraw/zinc/54/84/98/1329548498.db2.gz KVQGAIMKVAIZPJ-VUDBWIFFSA-N 0 0 343.225 3.190 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000863449956 1329554783 /nfs/dbraw/zinc/55/47/83/1329554783.db2.gz ALQPWCPQEXIUSI-UHFFFAOYSA-N 0 0 338.410 3.186 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000864660631 1329635257 /nfs/dbraw/zinc/63/52/57/1329635257.db2.gz GBXBDFGHKAJFLD-GIPNMCIBSA-N 0 0 326.780 3.020 10 5 EGBERN C[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000864930038 1329652778 /nfs/dbraw/zinc/65/27/78/1329652778.db2.gz AAKOMIDSGIPQSM-WBMJQRKESA-N 0 0 326.352 3.166 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865342406 1329687521 /nfs/dbraw/zinc/68/75/21/1329687521.db2.gz MKUFCKJXXJSSLH-LBPRGKRZSA-N 0 0 327.764 3.213 10 5 EGBERN O=c1c(Br)cn(CC2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000865360622 1329688614 /nfs/dbraw/zinc/68/86/14/1329688614.db2.gz WJGFCHBDRHUCPK-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN CC1(C)C[C@H](SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000865371912 1329689728 /nfs/dbraw/zinc/68/97/28/1329689728.db2.gz IMTZRFISVWKVSK-JTQLQIEISA-N 0 0 335.385 3.446 10 5 EGBERN COC(CCCC(C)(C)CNc1ncc(F)cc1[N+](=O)[O-])OC ZINC000865685779 1329729247 /nfs/dbraw/zinc/72/92/47/1329729247.db2.gz SZPWWEOCARFWDF-UHFFFAOYSA-N 0 0 329.372 3.356 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865724117 1329732702 /nfs/dbraw/zinc/73/27/02/1329732702.db2.gz HQGCCHHWTQZKHI-DIFFPNOSSA-N 0 0 328.343 3.326 10 5 EGBERN COc1cc(OC)c(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000865787728 1329738636 /nfs/dbraw/zinc/73/86/36/1329738636.db2.gz SCCTUBMOWIETQL-UHFFFAOYSA-N 0 0 334.347 3.349 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[S@](=O)CC(F)(F)F)c(C(F)F)c1 ZINC000865931404 1329752546 /nfs/dbraw/zinc/75/25/46/1329752546.db2.gz DRZPZCNDQIPYQP-QFIPXVFZSA-N 0 0 346.277 3.255 10 5 EGBERN CCOC(CN(CC)c1ccc([N+](=O)[O-])c2cnccc21)OCC ZINC000866128777 1330068324 /nfs/dbraw/zinc/06/83/24/1330068324.db2.gz WCVLTXGMNMYNDP-UHFFFAOYSA-N 0 0 333.388 3.368 10 5 EGBERN CCC(=O)c1ccc(N2CCO[C@@](C)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000866157794 1330071944 /nfs/dbraw/zinc/07/19/44/1330071944.db2.gz IBWVBFMTHUHJRO-CQSZACIVSA-N 0 0 346.305 3.345 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CC3(CO2)CCOCC3)c2ncccc12 ZINC000866176179 1330073792 /nfs/dbraw/zinc/07/37/92/1330073792.db2.gz BPXRTXBGQDNVMS-CYBMUJFWSA-N 0 0 343.383 3.141 10 5 EGBERN Cc1ccc(CNc2cc(C(C)C)nc3ncnn32)cc1[N+](=O)[O-] ZINC000866181830 1330074632 /nfs/dbraw/zinc/07/46/32/1330074632.db2.gz NMEICKSBOYQPPW-UHFFFAOYSA-N 0 0 326.360 3.076 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)(F)F ZINC000866185146 1330075272 /nfs/dbraw/zinc/07/52/72/1330075272.db2.gz NIPMFELNMQJNEU-UHFFFAOYSA-N 0 0 336.360 3.092 10 5 EGBERN O=[N+]([O-])c1ncccc1NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866189952 1330075773 /nfs/dbraw/zinc/07/57/73/1330075773.db2.gz GLOUEIOUKDJFHW-UHFFFAOYSA-N 0 0 341.293 3.154 10 5 EGBERN COc1ccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000866235530 1330082340 /nfs/dbraw/zinc/08/23/40/1330082340.db2.gz FWFDMOMMONUKBX-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN COc1ccc([C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCO2)cc1 ZINC000866235661 1330082672 /nfs/dbraw/zinc/08/26/72/1330082672.db2.gz IVZDLCNNTVGYLB-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2c(F)cccc2[N+](=O)[O-])no1 ZINC000866247969 1330085060 /nfs/dbraw/zinc/08/50/60/1330085060.db2.gz IIVRFQCOGCHXDW-YOGCLGLASA-N 0 0 332.335 3.340 10 5 EGBERN O=[N+]([O-])c1cnc(N2Cc3cccnc3N3CCC[C@H]3C2)c(Cl)c1 ZINC000866253862 1330086131 /nfs/dbraw/zinc/08/61/31/1330086131.db2.gz OSDNYMSKYJZPPB-LBPRGKRZSA-N 0 0 345.790 3.027 10 5 EGBERN CC[C@H](NC(=O)c1ncc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000866373935 1330103456 /nfs/dbraw/zinc/10/34/56/1330103456.db2.gz XWRPRONFMVPXCU-AWEZNQCLSA-N 0 0 333.319 3.019 10 5 EGBERN CO[C@H](CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000868129135 1330252988 /nfs/dbraw/zinc/25/29/88/1330252988.db2.gz PQBZXQWNOPIYKB-QGZVFWFLSA-N 0 0 343.383 3.090 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000868309002 1330269231 /nfs/dbraw/zinc/26/92/31/1330269231.db2.gz GFNYNSITNAAJBO-PBHICJAKSA-N 0 0 349.431 3.126 10 5 EGBERN O=C(NCC[C@H]1CCCS1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000868392135 1330276036 /nfs/dbraw/zinc/27/60/36/1330276036.db2.gz SVSWQGNKOCSSSH-GFCCVEGCSA-N 0 0 343.836 3.333 10 5 EGBERN Cc1ccc(CNC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000868586318 1330297313 /nfs/dbraw/zinc/29/73/13/1330297313.db2.gz MDAQDBHDXPMQKN-KBPBESRZSA-N 0 0 349.431 3.296 10 5 EGBERN CC[C@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000868755014 1330332733 /nfs/dbraw/zinc/33/27/33/1330332733.db2.gz RKYHNIJAPISNST-GOEBONIOSA-N 0 0 335.404 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000869052953 1330403088 /nfs/dbraw/zinc/40/30/88/1330403088.db2.gz GQYVWJVGEIOPBA-GFCCVEGCSA-N 0 0 345.321 3.387 10 5 EGBERN COc1ccc(CC(=O)OCc2c(C)cc(C)nc2C)cc1[N+](=O)[O-] ZINC000869382214 1330477908 /nfs/dbraw/zinc/47/79/08/1330477908.db2.gz WMYSEZMUKJRPSV-UHFFFAOYSA-N 0 0 344.367 3.210 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000869433441 1330492164 /nfs/dbraw/zinc/49/21/64/1330492164.db2.gz CTDYKEFHLQMOOS-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN CCCCC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000869470992 1330506714 /nfs/dbraw/zinc/50/67/14/1330506714.db2.gz UJFHGJCLFGLZBJ-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN O=C(Cc1cnn2c1CCCC2)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000869590111 1330529001 /nfs/dbraw/zinc/52/90/01/1330529001.db2.gz XAROSVHNKQJRPS-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000869611840 1330533446 /nfs/dbraw/zinc/53/34/46/1330533446.db2.gz HYVLPGLVTKUYMP-LLVKDONJSA-N 0 0 335.429 3.042 10 5 EGBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(CC1CC1)c1cccc(F)c1 ZINC000869716536 1330552513 /nfs/dbraw/zinc/55/25/13/1330552513.db2.gz BWTSPSRMIFFYAW-QGZVFWFLSA-N 0 0 344.342 3.211 10 5 EGBERN O=C(COC(=O)C1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000869810948 1330569058 /nfs/dbraw/zinc/56/90/58/1330569058.db2.gz VFSBYKKSBQSPHB-INIZCTEOSA-N 0 0 347.367 3.060 10 5 EGBERN C[C@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cnccn1 ZINC000869811992 1330569464 /nfs/dbraw/zinc/56/94/64/1330569464.db2.gz XWHLFJLFMDKYCT-LBPRGKRZSA-N 0 0 327.340 3.111 10 5 EGBERN C[C@H]1CCn2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3Cl)nc2C1 ZINC000869857221 1330577925 /nfs/dbraw/zinc/57/79/25/1330577925.db2.gz UCKAGJGGVMCLNJ-JTQLQIEISA-N 0 0 349.774 3.384 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](c2cnccn2)C1 ZINC000952995217 1334633454 /nfs/dbraw/zinc/63/34/54/1334633454.db2.gz FALYZRGVEGWTKK-JTQLQIEISA-N 0 0 338.289 3.398 10 5 EGBERN CNC(=O)c1cccc(CNc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001185046211 1387597286 /nfs/dbraw/zinc/59/72/86/1387597286.db2.gz JIWFSGJJFUMFGX-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN Cc1[nH]c2ccccc2c1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001185198110 1387646444 /nfs/dbraw/zinc/64/64/44/1387646444.db2.gz ULJZNOLLWSQMCM-UHFFFAOYSA-N 0 0 338.367 3.138 10 5 EGBERN COc1cc(NCCCc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC001185332346 1387685548 /nfs/dbraw/zinc/68/55/48/1387685548.db2.gz YRCFITXLGIWQQM-UHFFFAOYSA-N 0 0 332.356 3.362 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCCN(c2ccccc2)C1 ZINC001185414611 1387710032 /nfs/dbraw/zinc/71/00/32/1387710032.db2.gz TZMTYTRNPAOUOO-GFCCVEGCSA-N 0 0 332.791 3.146 10 5 EGBERN Cn1c2ccccc2c(N2CCCC(C)(C)CC2)c([N+](=O)[O-])c1=O ZINC001185555100 1387746672 /nfs/dbraw/zinc/74/66/72/1387746672.db2.gz HYEQRNIBTVLGMT-UHFFFAOYSA-N 0 0 329.400 3.463 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1Sc1cnc(F)cn1 ZINC001185801287 1387804038 /nfs/dbraw/zinc/80/40/38/1387804038.db2.gz DCHGPRKAIQKZHX-UHFFFAOYSA-N 0 0 330.138 3.438 10 5 EGBERN Cc1ccccc1OCCCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001189600774 1367065193 /nfs/dbraw/zinc/06/51/93/1367065193.db2.gz FUDTYYHTCKPIAG-UHFFFAOYSA-N 0 0 342.395 3.413 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)N(C(C)C)C1CCCC1)CC2 ZINC001192870487 1367892193 /nfs/dbraw/zinc/89/21/93/1367892193.db2.gz UYILERFJUGAGNO-UHFFFAOYSA-N 0 0 345.443 3.445 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[C@H]1c1ccccc1Br ZINC001186275066 1387913254 /nfs/dbraw/zinc/91/32/54/1387913254.db2.gz KGXCIDPUGVRTRE-GXSJLCMTSA-N 0 0 337.177 3.059 10 5 EGBERN Cc1ccc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC001186413421 1387938345 /nfs/dbraw/zinc/93/83/45/1387938345.db2.gz HQIAOJQLUVCNGL-UHFFFAOYSA-N 0 0 345.786 3.410 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001197051454 1368735466 /nfs/dbraw/zinc/73/54/66/1368735466.db2.gz KQVRSNNZHCGKMU-UHFFFAOYSA-N 0 0 333.338 3.195 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCc3cc(F)c(F)cc3C2)c([N+](=O)[O-])c1 ZINC001197343208 1368792179 /nfs/dbraw/zinc/79/21/79/1368792179.db2.gz RHDJWJRPKWDXAQ-UHFFFAOYSA-N 0 0 349.293 3.340 10 5 EGBERN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(F)(F)F)C1 ZINC001198836287 1369126817 /nfs/dbraw/zinc/12/68/17/1369126817.db2.gz CKRSGFBYFGCWLV-SWHYSGLUSA-N 0 0 332.322 3.291 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@@H](OC)C12CCC2 ZINC001186661660 1387995837 /nfs/dbraw/zinc/99/58/37/1387995837.db2.gz GZIXBGKUWLJFOL-LSDHHAIUSA-N 0 0 334.372 3.059 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccc(C)c(C)n3)c2c1 ZINC001186670218 1387997151 /nfs/dbraw/zinc/99/71/51/1387997151.db2.gz ZLSXZMWSTYHRCO-UHFFFAOYSA-N 0 0 338.367 3.197 10 5 EGBERN CCc1nc2ccc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cc2s1 ZINC001186821202 1388011176 /nfs/dbraw/zinc/01/11/76/1388011176.db2.gz FMTBYUQZBOTYPF-UHFFFAOYSA-N 0 0 343.368 3.004 10 5 EGBERN COC(=O)c1oc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1C ZINC001187257186 1388082898 /nfs/dbraw/zinc/08/28/98/1388082898.db2.gz WQGDSFIBENSLFT-UHFFFAOYSA-N 0 0 345.355 3.169 10 5 EGBERN Cc1nn(CCc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1[N+](=O)[O-] ZINC001117157809 1371015347 /nfs/dbraw/zinc/01/53/47/1371015347.db2.gz BIFKIUMPDDHJEU-UHFFFAOYSA-N 0 0 347.762 3.354 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cc(OCC(F)F)ccn1 ZINC001118335844 1371164495 /nfs/dbraw/zinc/16/44/95/1371164495.db2.gz VBYGHTTVRNRGKW-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN COc1cc(NCc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC001187541763 1388123136 /nfs/dbraw/zinc/12/31/36/1388123136.db2.gz NSWSIMPYDPKOEY-UHFFFAOYSA-N 0 0 345.311 3.071 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118868755 1371243309 /nfs/dbraw/zinc/24/33/09/1371243309.db2.gz PSTYSKNCQDJGLK-YDEXJTGXSA-N 0 0 336.779 3.415 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C(C)(C)C)CC2)c1 ZINC001187913971 1388189014 /nfs/dbraw/zinc/18/90/14/1388189014.db2.gz SGSSJQPYZMDOFL-OAHLLOKOSA-N 0 0 336.388 3.023 10 5 EGBERN C[C@@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC001123242358 1372405613 /nfs/dbraw/zinc/40/56/13/1372405613.db2.gz QCRYNSBXZJSDPP-RYUDHWBXSA-N 0 0 339.363 3.443 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1sc(C)nc1-c1cccs1 ZINC001123255596 1372408486 /nfs/dbraw/zinc/40/84/86/1372408486.db2.gz KOZIAWHDPNVJJI-JTQLQIEISA-N 0 0 340.426 3.321 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1csc(-c2ccccc2OC)n1 ZINC001123258054 1372408881 /nfs/dbraw/zinc/40/88/81/1372408881.db2.gz WQDQGPHWXLYMKR-JTQLQIEISA-N 0 0 336.369 3.031 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001124153228 1372680371 /nfs/dbraw/zinc/68/03/71/1372680371.db2.gz VAXIIQFPZQJHRY-LLVKDONJSA-N 0 0 349.314 3.253 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001124193828 1372682993 /nfs/dbraw/zinc/68/29/93/1372682993.db2.gz NCZLIKMRAKBUDT-KBPBESRZSA-N 0 0 326.308 3.066 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccncc2)c1 ZINC001124332830 1372692858 /nfs/dbraw/zinc/69/28/58/1372692858.db2.gz PJNUOIQBVLPEGF-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1c(NC(=O)c2cnc3ccnn3c2C(F)F)cccc1[N+](=O)[O-] ZINC001124396705 1372698298 /nfs/dbraw/zinc/69/82/98/1372698298.db2.gz PSPTUXFHJNYMPJ-UHFFFAOYSA-N 0 0 347.281 3.136 10 5 EGBERN Cc1ccc(F)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001124435671 1372701646 /nfs/dbraw/zinc/70/16/46/1372701646.db2.gz RRJCOSLRRUKXHQ-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN O=C(c1nccc2ccsc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124642973 1372719192 /nfs/dbraw/zinc/71/91/92/1372719192.db2.gz SQEOYLJVUSQOSC-UHFFFAOYSA-N 0 0 325.349 3.407 10 5 EGBERN CN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124836810 1372734635 /nfs/dbraw/zinc/73/46/35/1372734635.db2.gz PSTWOPICVOWNLO-UHFFFAOYSA-N 0 0 342.380 3.114 10 5 EGBERN O=C(COc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC001125338606 1372771593 /nfs/dbraw/zinc/77/15/93/1372771593.db2.gz VRWVVTUESJIUHC-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN Cc1cnc(COC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC001125805461 1372860834 /nfs/dbraw/zinc/86/08/34/1372860834.db2.gz MNORWHFXSRQOAI-UHFFFAOYSA-N 0 0 341.245 3.069 10 5 EGBERN C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001126125945 1372939464 /nfs/dbraw/zinc/93/94/64/1372939464.db2.gz GIGMXPDPLJHMAK-NEPJUHHUSA-N 0 0 334.372 3.270 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001126537599 1372973504 /nfs/dbraw/zinc/97/35/04/1372973504.db2.gz OUTSKCALBZXOMN-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)n1 ZINC001126646800 1372990362 /nfs/dbraw/zinc/99/03/62/1372990362.db2.gz FBKXLDQLIUTMSG-MRXNPFEDSA-N 0 0 347.321 3.458 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC001126988348 1373063775 /nfs/dbraw/zinc/06/37/75/1373063775.db2.gz GPWCYEBJQVHRNJ-OAHLLOKOSA-N 0 0 337.395 3.499 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(Cc3ccccc3)CCC2)n1 ZINC001126989659 1373064037 /nfs/dbraw/zinc/06/40/37/1373064037.db2.gz ZQOOGWAYZNVROI-UHFFFAOYSA-N 0 0 339.395 3.441 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)cc1[N+](=O)[O-] ZINC001127361830 1373119562 /nfs/dbraw/zinc/11/95/62/1373119562.db2.gz ZXYUGAYFOJZNBD-HZPDHXFCSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nncc3ccccc31)CC2 ZINC001127452854 1373128606 /nfs/dbraw/zinc/12/86/06/1373128606.db2.gz KAGVKTFSFFMXSJ-UHFFFAOYSA-N 0 0 334.335 3.049 10 5 EGBERN CCc1cc(NC(=O)[C@@H](CC(C)C)OC)c2cc([N+](=O)[O-])ccc2n1 ZINC001127663935 1373155287 /nfs/dbraw/zinc/15/52/87/1373155287.db2.gz YNUMQKJBBMMYRU-QGZVFWFLSA-N 0 0 345.399 3.127 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@@H]1C ZINC001127765756 1373176837 /nfs/dbraw/zinc/17/68/37/1373176837.db2.gz HTEGSPFXBNKAPZ-YRGRVCCFSA-N 0 0 344.371 3.157 10 5 EGBERN Cn1ncc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1C1CC1 ZINC001127865144 1373192632 /nfs/dbraw/zinc/19/26/32/1373192632.db2.gz KQPOFIVQJCRJGN-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[S@@](C)=O)c1C ZINC001127875769 1373193739 /nfs/dbraw/zinc/19/37/39/1373193739.db2.gz RHSCDMVVYSVAMR-XMMPIXPASA-N 0 0 346.408 3.342 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCCC23CC3)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967947 1373205411 /nfs/dbraw/zinc/20/54/11/1373205411.db2.gz UUROBEPXAOSDOS-AWEZNQCLSA-N 0 0 325.368 3.392 10 5 EGBERN COc1ccc(OC(=O)[C@H](C)OCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001128089599 1373216974 /nfs/dbraw/zinc/21/69/74/1373216974.db2.gz LQVCUUZUDUFJMA-NSHDSACASA-N 0 0 349.314 3.253 10 5 EGBERN Cc1cc(C)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)CC2 ZINC001128107152 1373218783 /nfs/dbraw/zinc/21/87/83/1373218783.db2.gz CWFXYGDMEFHGLI-UHFFFAOYSA-N 0 0 325.368 3.114 10 5 EGBERN CCOc1cccc(/C=C\C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128528178 1373283240 /nfs/dbraw/zinc/28/32/40/1373283240.db2.gz DLFFKYBJDLXBLF-KHPPLWFESA-N 0 0 340.379 3.366 10 5 EGBERN Cc1ccc(OCC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cc1 ZINC001129109377 1373346638 /nfs/dbraw/zinc/34/66/38/1373346638.db2.gz WYFRNFUVWPAKQR-UHFFFAOYSA-N 0 0 330.315 3.010 10 5 EGBERN CCOc1ncc(C)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129376768 1373377773 /nfs/dbraw/zinc/37/77/73/1373377773.db2.gz GDXRVAFLMOHQEV-UHFFFAOYSA-N 0 0 337.282 3.227 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(C(F)F)o1 ZINC001129486371 1373389643 /nfs/dbraw/zinc/38/96/43/1373389643.db2.gz IVUUZXMFQCGBPG-UHFFFAOYSA-N 0 0 340.286 3.049 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCc2cc(F)c(F)c(F)c21 ZINC001129547006 1373395872 /nfs/dbraw/zinc/39/58/72/1373395872.db2.gz OGLVOTGNKQPYJM-UHFFFAOYSA-N 0 0 326.230 3.198 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC001129562550 1373397585 /nfs/dbraw/zinc/39/75/85/1373397585.db2.gz BOHCNKLCSIPRJN-LLVKDONJSA-N 0 0 346.770 3.463 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)no1 ZINC001130344837 1373498490 /nfs/dbraw/zinc/49/84/90/1373498490.db2.gz STOMMCIPSFIBDX-UHFFFAOYSA-N 0 0 347.224 3.312 10 5 EGBERN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001130603320 1373568480 /nfs/dbraw/zinc/56/84/80/1373568480.db2.gz WIPPPNVVGOTBRN-GHJWDPDVSA-N 0 0 345.399 3.029 10 5 EGBERN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001130613878 1373570635 /nfs/dbraw/zinc/57/06/35/1373570635.db2.gz LRIIMVHMEPGNFR-SLTXQBBLSA-N 0 0 345.443 3.362 10 5 EGBERN CCOc1cc(NC(=O)c2nn(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC001130798924 1373592763 /nfs/dbraw/zinc/59/27/63/1373592763.db2.gz NQCBFWCXOBXKNY-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN CCOc1cc(NC(=O)C(F)(F)c2nccs2)ccc1[N+](=O)[O-] ZINC001130798655 1373593147 /nfs/dbraw/zinc/59/31/47/1373593147.db2.gz JLGBOSYYOLHSEY-UHFFFAOYSA-N 0 0 343.311 3.181 10 5 EGBERN COc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC001130869399 1373599897 /nfs/dbraw/zinc/59/98/97/1373599897.db2.gz KBAOIMKJYKNQAD-JTQLQIEISA-N 0 0 333.369 3.118 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)nc1 ZINC001130954673 1373615032 /nfs/dbraw/zinc/61/50/32/1373615032.db2.gz HDHHJWPZQQCBPT-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1cnc(F)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130956945 1373615454 /nfs/dbraw/zinc/61/54/54/1373615454.db2.gz JLTUJWTZQGVFMH-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cc1ncccc1/C=C\C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956570 1373615557 /nfs/dbraw/zinc/61/55/57/1373615557.db2.gz CGNBZXFZTYKCHE-ALCCZGGFSA-N 0 0 334.335 3.498 10 5 EGBERN COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1C ZINC001131205318 1373661743 /nfs/dbraw/zinc/66/17/43/1373661743.db2.gz DYXSGMNKFZKIDB-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN Cc1cn2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2n1 ZINC001131595890 1373727786 /nfs/dbraw/zinc/72/77/86/1373727786.db2.gz LRCBAVYSHONAOT-UHFFFAOYSA-N 0 0 342.380 3.282 10 5 EGBERN COc1ccc(-c2nc(SCc3cccnc3[N+](=O)[O-])n[nH]2)cc1 ZINC001188276647 1388280692 /nfs/dbraw/zinc/28/06/92/1388280692.db2.gz ZPGVNPSVXVQORD-UHFFFAOYSA-N 0 0 343.368 3.076 10 5 EGBERN CN(CC(=O)N1c2ccccc2CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001131795304 1373808182 /nfs/dbraw/zinc/80/81/82/1373808182.db2.gz ZYWLWGTUDCIVKW-UHFFFAOYSA-N 0 0 339.395 3.399 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCCCC1CCOCC1 ZINC001188324849 1388290847 /nfs/dbraw/zinc/29/08/47/1388290847.db2.gz USFYVIBEYLULSP-UHFFFAOYSA-N 0 0 341.429 3.274 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC001132418385 1375366148 /nfs/dbraw/zinc/36/61/48/1375366148.db2.gz FZRSXBXGANSWSH-UHFFFAOYSA-N 0 0 343.339 3.358 10 5 EGBERN Cc1ccc(CNC(=O)c2cnc(CC3CC3)s2)cc1[N+](=O)[O-] ZINC001132419076 1375366476 /nfs/dbraw/zinc/36/64/76/1375366476.db2.gz WFWWRRDQNXGWHE-UHFFFAOYSA-N 0 0 331.397 3.242 10 5 EGBERN C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001132559806 1375467780 /nfs/dbraw/zinc/46/77/80/1375467780.db2.gz DXRPZVDVHRMMCU-UMVBOHGHSA-N 0 0 342.317 3.208 10 5 EGBERN CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132622704 1375489331 /nfs/dbraw/zinc/48/93/31/1375489331.db2.gz PNKZUVGOQHGGHB-MRXNPFEDSA-N 0 0 345.786 3.165 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCCCO3)c1 ZINC001132679892 1375511003 /nfs/dbraw/zinc/51/10/03/1375511003.db2.gz VUOQLUDJBMTPPQ-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C1(Sc2ccccc2)CC1 ZINC001132750380 1375545695 /nfs/dbraw/zinc/54/56/95/1375545695.db2.gz JIOLILGCZKKEPA-UHFFFAOYSA-N 0 0 345.380 3.262 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001132825610 1375585291 /nfs/dbraw/zinc/58/52/91/1375585291.db2.gz PRPMMTLRBNMFBK-NEPJUHHUSA-N 0 0 344.298 3.205 10 5 EGBERN O=C(Nc1ncsc1C1CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001133061030 1375751273 /nfs/dbraw/zinc/75/12/73/1375751273.db2.gz SUZLHAKZKXMFFO-UHFFFAOYSA-N 0 0 325.296 3.459 10 5 EGBERN COc1c(C)cccc1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327152290 1388407534 /nfs/dbraw/zinc/40/75/34/1388407534.db2.gz XEDKKWSBUCQNGT-UHFFFAOYSA-N 0 0 341.367 3.137 10 5 EGBERN C[C@H](NC(=O)/C=C\c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001133710841 1376168617 /nfs/dbraw/zinc/16/86/17/1376168617.db2.gz KXSQNLNQKDTIFF-PPFSTCQPSA-N 0 0 340.335 3.214 10 5 EGBERN Cc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(C)c1 ZINC001188989178 1388428036 /nfs/dbraw/zinc/42/80/36/1388428036.db2.gz YWAZMUREDMWDBC-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cscc1Cl ZINC001133823148 1376219212 /nfs/dbraw/zinc/21/92/12/1376219212.db2.gz WVSZFSQQIPUZCF-UHFFFAOYSA-N 0 0 326.761 3.005 10 5 EGBERN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cccc([N+](=O)[O-])c1 ZINC001133855651 1376235192 /nfs/dbraw/zinc/23/51/92/1376235192.db2.gz HLHXYXRGBGGJLH-INIZCTEOSA-N 0 0 339.351 3.188 10 5 EGBERN CC(C)[S@@](C)(=O)=NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001133895514 1376254730 /nfs/dbraw/zinc/25/47/30/1376254730.db2.gz WJVPGYZZHAWBKW-XMMPIXPASA-N 0 0 347.396 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)n1 ZINC001133935016 1376271063 /nfs/dbraw/zinc/27/10/63/1376271063.db2.gz XWDSSRHTKJSLAY-SECBINFHSA-N 0 0 349.293 3.004 10 5 EGBERN Cc1ccn2cc(C(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC001134270397 1376447791 /nfs/dbraw/zinc/44/77/91/1376447791.db2.gz FATGIZLAMXTIOX-CYBMUJFWSA-N 0 0 338.367 3.084 10 5 EGBERN Cc1ocnc1C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001134649619 1376641480 /nfs/dbraw/zinc/64/14/80/1376641480.db2.gz JFMUDBJCIILIIQ-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc2ccc(C)cc2c1 ZINC001134724768 1376678949 /nfs/dbraw/zinc/67/89/49/1376678949.db2.gz XTNYBSMCRQGXPF-UHFFFAOYSA-N 0 0 325.324 3.167 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[C@H]1C1CCCC1 ZINC001135055345 1376870086 /nfs/dbraw/zinc/87/00/86/1376870086.db2.gz JOWJWHSIGKVABQ-OCCSQVGLSA-N 0 0 336.363 3.055 10 5 EGBERN Cc1cc(NC(=O)CCCNC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001135145889 1376933338 /nfs/dbraw/zinc/93/33/38/1376933338.db2.gz WUYVXTBFUCWFLS-UHFFFAOYSA-N 0 0 341.367 3.052 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCc2ccccc2C1 ZINC001135440899 1377098763 /nfs/dbraw/zinc/09/87/63/1377098763.db2.gz KJXNIKRUPCNIGV-UHFFFAOYSA-N 0 0 348.362 3.183 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1C(F)(F)F ZINC001135504243 1377122002 /nfs/dbraw/zinc/12/20/02/1377122002.db2.gz GNCMLSOOYONDGT-CYBMUJFWSA-N 0 0 340.257 3.286 10 5 EGBERN CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001135623139 1377167008 /nfs/dbraw/zinc/16/70/08/1377167008.db2.gz AOHYWITWAHXWHW-UHFFFAOYSA-N 0 0 342.380 3.059 10 5 EGBERN CC(=O)Nc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001135962834 1377278572 /nfs/dbraw/zinc/27/85/72/1377278572.db2.gz JFEFVVQAUAVTDL-UHFFFAOYSA-N 0 0 334.715 3.426 10 5 EGBERN Cc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c2n[nH]cc21 ZINC001136447694 1377394433 /nfs/dbraw/zinc/39/44/33/1377394433.db2.gz FYASAZDBXFBEFG-UHFFFAOYSA-N 0 0 345.746 3.267 10 5 EGBERN CNc1nccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001136762597 1377420968 /nfs/dbraw/zinc/42/09/68/1377420968.db2.gz UPKHMJXZXQZVBY-UHFFFAOYSA-N 0 0 349.350 3.346 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])O[C@H]1CCOc2cc(F)ccc21 ZINC001267544557 1377454841 /nfs/dbraw/zinc/45/48/41/1377454841.db2.gz ZJGIXYMNDGGBMJ-HNNXBMFYSA-N 0 0 349.289 3.483 10 5 EGBERN Cc1c(N)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001137114721 1377481206 /nfs/dbraw/zinc/48/12/06/1377481206.db2.gz PRDBYHVZJPJGJY-UHFFFAOYSA-N 0 0 345.374 3.377 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(F)cccc2NC2CC2)n1 ZINC001137155248 1377487352 /nfs/dbraw/zinc/48/73/52/1377487352.db2.gz NIMSYMNSQAKLIA-UHFFFAOYSA-N 0 0 330.319 3.264 10 5 EGBERN O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001138020947 1377667385 /nfs/dbraw/zinc/66/73/85/1377667385.db2.gz SIMKZXKSOTXSBF-LBPRGKRZSA-N 0 0 344.371 3.149 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC2(CCOCC2)C1 ZINC001139698749 1377936569 /nfs/dbraw/zinc/93/65/69/1377936569.db2.gz WWGUTCQBQGPVKH-UHFFFAOYSA-N 0 0 336.363 3.075 10 5 EGBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001275634130 1378148887 /nfs/dbraw/zinc/14/88/87/1378148887.db2.gz ACSRDIMJTVPOMK-GFCCVEGCSA-N 0 0 342.351 3.432 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001141588603 1378347008 /nfs/dbraw/zinc/34/70/08/1378347008.db2.gz YMBAPEGQBAGRSO-ZDUSSCGKSA-N 0 0 346.774 3.339 10 5 EGBERN O=C(NCc1nc2ccccc2o1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001141592014 1378348103 /nfs/dbraw/zinc/34/81/03/1378348103.db2.gz VRLXZKJBSUIHJX-UHFFFAOYSA-N 0 0 337.291 3.412 10 5 EGBERN C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001141891433 1378390729 /nfs/dbraw/zinc/39/07/29/1378390729.db2.gz RXCKOIUIYUKVRD-LBPRGKRZSA-N 0 0 339.351 3.210 10 5 EGBERN CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2N)s1 ZINC001142059276 1378409546 /nfs/dbraw/zinc/40/95/46/1378409546.db2.gz HDEMDZJVIXXPAN-UHFFFAOYSA-N 0 0 335.389 3.014 10 5 EGBERN CC(C)N(Cc1cccs1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142350442 1378434998 /nfs/dbraw/zinc/43/49/98/1378434998.db2.gz GRNTZDACQHHUTH-UHFFFAOYSA-N 0 0 328.781 3.084 10 5 EGBERN Cc1ncc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)s1 ZINC001142410060 1378440781 /nfs/dbraw/zinc/44/07/81/1378440781.db2.gz DJFCIWNPAPFRBQ-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN CC(C)CN(Cc1ccccc1F)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001142544065 1378457691 /nfs/dbraw/zinc/45/76/91/1378457691.db2.gz OVWJLXCQEWCEHX-UHFFFAOYSA-N 0 0 346.362 3.010 10 5 EGBERN CC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](CC)O1 ZINC001142608294 1378464093 /nfs/dbraw/zinc/46/40/93/1378464093.db2.gz KIILFLMCWONUEZ-IRXDYDNUSA-N 0 0 346.427 3.433 10 5 EGBERN Cc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3N)CCC2)c1 ZINC001143114585 1378542140 /nfs/dbraw/zinc/54/21/40/1378542140.db2.gz HNMFTAXYMONWJQ-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN CC1(C)C(c2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)n[nH]2)C1(C)C ZINC001143444923 1378597509 /nfs/dbraw/zinc/59/75/09/1378597509.db2.gz XZABQAZGEFPSLT-UHFFFAOYSA-N 0 0 343.387 3.302 10 5 EGBERN CC[C@](C)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC001147808570 1379083361 /nfs/dbraw/zinc/08/33/61/1379083361.db2.gz BVBJGMFGXHEEIU-KRWDZBQOSA-N 0 0 328.372 3.293 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc([C@H](C)O)cc1 ZINC001148706461 1379247099 /nfs/dbraw/zinc/24/70/99/1379247099.db2.gz YVMVGOKBWQSQTG-NSHDSACASA-N 0 0 332.331 3.026 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC001148712693 1379249151 /nfs/dbraw/zinc/24/91/51/1379249151.db2.gz HIIYWHUSKNRBQC-UHFFFAOYSA-N 0 0 329.331 3.125 10 5 EGBERN CC1(C)C(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1(C)C ZINC001149257163 1379354730 /nfs/dbraw/zinc/35/47/30/1379354730.db2.gz JWDQEWSWMZOYNM-UHFFFAOYSA-N 0 0 343.383 3.073 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001150280711 1379527158 /nfs/dbraw/zinc/52/71/58/1379527158.db2.gz NOSBZKODWXMQQO-UONOGXRCSA-N 0 0 349.350 3.122 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001151356225 1379704089 /nfs/dbraw/zinc/70/40/89/1379704089.db2.gz VXYOZPCGBMTEBZ-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN C[C@H](C(=O)N[C@@H]1CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001152690157 1379971147 /nfs/dbraw/zinc/97/11/47/1379971147.db2.gz VGMYRAGRSGOBCF-MGPLVRAMSA-N 0 0 342.326 3.281 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC001152830769 1379984101 /nfs/dbraw/zinc/98/41/01/1379984101.db2.gz RSLSYVZDTCFZPC-QPJJXVBHSA-N 0 0 331.759 3.274 10 5 EGBERN C=C/C=C/CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001153736352 1380120868 /nfs/dbraw/zinc/12/08/68/1380120868.db2.gz GIQGAMMBBYZTBR-ONEGZZNKSA-N 0 0 343.152 3.359 10 5 EGBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328046564 1388652719 /nfs/dbraw/zinc/65/27/19/1388652719.db2.gz NJUYXIBJSSRCMI-SJLPKXTDSA-N 0 0 341.342 3.257 10 5 EGBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328046890 1388652761 /nfs/dbraw/zinc/65/27/61/1388652761.db2.gz NJUYXIBJSSRCMI-WMZOPIPTSA-N 0 0 341.342 3.257 10 5 EGBERN CCC[C@H]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154331539 1380257217 /nfs/dbraw/zinc/25/72/17/1380257217.db2.gz IRSQBDNXELHTGI-GUYCJALGSA-N 0 0 332.400 3.401 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cncc2ccccc21 ZINC001155285191 1380433457 /nfs/dbraw/zinc/43/34/57/1380433457.db2.gz PXKNAPMQRBJZCV-UHFFFAOYSA-N 0 0 349.390 3.387 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328088816 1388668054 /nfs/dbraw/zinc/66/80/54/1388668054.db2.gz SGBFARKHTCDSCO-UPJWGTAASA-N 0 0 339.342 3.170 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCCC3(CC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001156993352 1380746020 /nfs/dbraw/zinc/74/60/20/1380746020.db2.gz BLBQTISCRAXKQM-MRVPVSSYSA-N 0 0 341.770 3.422 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001157468332 1380919186 /nfs/dbraw/zinc/91/91/86/1380919186.db2.gz OVWQXOKPGRPWEI-VXGBXAGGSA-N 0 0 342.399 3.238 10 5 EGBERN CCCCn1ncc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C ZINC001158232181 1381168178 /nfs/dbraw/zinc/16/81/78/1381168178.db2.gz SASGTKMQLCWVLN-UHFFFAOYSA-N 0 0 331.376 3.043 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1ccccn1 ZINC001287435364 1381201298 /nfs/dbraw/zinc/20/12/98/1381201298.db2.gz FPACDPBQVAJUKM-LBPRGKRZSA-N 0 0 326.230 3.450 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328343514 1388725904 /nfs/dbraw/zinc/72/59/04/1388725904.db2.gz WTXUIDQJVXAFSR-IEBDPFPHSA-N 0 0 325.315 3.256 10 5 EGBERN O=C(NCc1cccc2[nH]ccc21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001288188339 1381661661 /nfs/dbraw/zinc/66/16/61/1381661661.db2.gz RAZRWOQSRPZMAF-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)Cc1ccccc1C ZINC001288215977 1381730952 /nfs/dbraw/zinc/73/09/52/1381730952.db2.gz LHJWOLAUCHFEMY-GFCCVEGCSA-N 0 0 329.356 3.124 10 5 EGBERN Cc1ccc2n[nH]nc2c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001159305161 1381757652 /nfs/dbraw/zinc/75/76/52/1381757652.db2.gz YVCVJHUHSIPGPU-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccncc1-c1ccccc1 ZINC001288284086 1381766300 /nfs/dbraw/zinc/76/63/00/1381766300.db2.gz NVEZDVMTRYSRMP-UHFFFAOYSA-N 0 0 349.346 3.096 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCC1(c2ccccc2)CC1 ZINC001288978408 1381969073 /nfs/dbraw/zinc/96/90/73/1381969073.db2.gz FLYCCRTZQXGRMC-UHFFFAOYSA-N 0 0 340.379 3.455 10 5 EGBERN C[S@](=O)(=NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001289021618 1381973579 /nfs/dbraw/zinc/97/35/79/1381973579.db2.gz VILKPDUNDVEUIW-VMPBMTGNSA-N 0 0 344.392 3.382 10 5 EGBERN COc1cccc(F)c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289338673 1381993298 /nfs/dbraw/zinc/99/32/98/1381993298.db2.gz CCOPLIPJIRAIIO-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1C ZINC001289377902 1381996637 /nfs/dbraw/zinc/99/66/37/1381996637.db2.gz MSVJRSIGYGRMKQ-GFCCVEGCSA-N 0 0 329.356 3.106 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001289573499 1382003690 /nfs/dbraw/zinc/00/36/90/1382003690.db2.gz UOQHDZIHBGMNGU-KGLIPLIRSA-N 0 0 348.399 3.143 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC=CCCC1 ZINC001289651728 1382006923 /nfs/dbraw/zinc/00/69/23/1382006923.db2.gz KTGYBUHSGGMFSG-CQSZACIVSA-N 0 0 342.399 3.197 10 5 EGBERN CC[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001160697201 1382173587 /nfs/dbraw/zinc/17/35/87/1382173587.db2.gz XGHGXRBMOCUHNQ-CQSZACIVSA-N 0 0 329.356 3.318 10 5 EGBERN C[C@@]1(C2CC2)CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CCO1 ZINC001328571785 1388777678 /nfs/dbraw/zinc/77/76/78/1388777678.db2.gz ISFHDFIBUPKCTQ-INIZCTEOSA-N 0 0 348.790 3.197 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001294095534 1382416753 /nfs/dbraw/zinc/41/67/53/1382416753.db2.gz VUMVIWYECCPMAW-ACJLOTCBSA-N 0 0 334.416 3.412 10 5 EGBERN CCOc1ccc(Sc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC001162031765 1382609408 /nfs/dbraw/zinc/60/94/08/1382609408.db2.gz CRPFYNFUDXVWPC-UHFFFAOYSA-N 0 0 334.353 3.326 10 5 EGBERN Cc1ccc(OCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC001162083616 1382623859 /nfs/dbraw/zinc/62/38/59/1382623859.db2.gz AQYBFDHFTQFCKG-UHFFFAOYSA-N 0 0 344.293 3.146 10 5 EGBERN COc1cc(Oc2cccc(-c3nnco3)c2)c([N+](=O)[O-])cc1OC ZINC001162103756 1382629563 /nfs/dbraw/zinc/62/95/63/1382629563.db2.gz MKYJVPGNNGVNAW-UHFFFAOYSA-N 0 0 343.295 3.454 10 5 EGBERN Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1 ZINC001162515774 1382779090 /nfs/dbraw/zinc/77/90/90/1382779090.db2.gz MVKUWNAHJICCFA-UHFFFAOYSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc2C1 ZINC001295988581 1382892800 /nfs/dbraw/zinc/89/28/00/1382892800.db2.gz STZOHAAVRBRFBD-ZDUSSCGKSA-N 0 0 336.351 3.215 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1C ZINC001296169695 1382912685 /nfs/dbraw/zinc/91/26/85/1382912685.db2.gz DKIIZTWDZAGCPE-FXPVBKGRSA-N 0 0 334.401 3.154 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001163061921 1382959154 /nfs/dbraw/zinc/95/91/54/1382959154.db2.gz CLAYESYXSCXROG-OAHLLOKOSA-N 0 0 331.376 3.059 10 5 EGBERN CC(C)OC(=O)CC[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163205209 1382992947 /nfs/dbraw/zinc/99/29/47/1382992947.db2.gz LCNIIKKZIMFAES-LBPRGKRZSA-N 0 0 335.404 3.401 10 5 EGBERN CCCONC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001163234212 1383001933 /nfs/dbraw/zinc/00/19/33/1383001933.db2.gz OHUBMNOIKCETMX-CHWSQXEVSA-N 0 0 335.404 3.149 10 5 EGBERN CO[C@@](C)(CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC001163341148 1383026290 /nfs/dbraw/zinc/02/62/90/1383026290.db2.gz QCIQYHGOEOPMEW-KRWDZBQOSA-N 0 0 326.356 3.216 10 5 EGBERN Cc1cccnc1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001163346290 1383028226 /nfs/dbraw/zinc/02/82/26/1383028226.db2.gz GYRIGEVBQKVHRJ-UHFFFAOYSA-N 0 0 326.331 3.062 10 5 EGBERN CCOC(=O)C[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)CC(C)C ZINC001163676477 1383103624 /nfs/dbraw/zinc/10/36/24/1383103624.db2.gz ZCXRJAZOTNCDGR-ZDUSSCGKSA-N 0 0 340.424 3.147 10 5 EGBERN CCC1(CC)CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001163722171 1383114286 /nfs/dbraw/zinc/11/42/86/1383114286.db2.gz UHRLWNOVBZCELP-UHFFFAOYSA-N 0 0 335.404 3.491 10 5 EGBERN CC(C)N(CC1CCC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001297168687 1383125653 /nfs/dbraw/zinc/12/56/53/1383125653.db2.gz APOYGAUVZRCDGI-UHFFFAOYSA-N 0 0 325.796 3.481 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001163906605 1383134757 /nfs/dbraw/zinc/13/47/57/1383134757.db2.gz MGDVMCIFSWPJRV-DNSOKLHBSA-N 0 0 328.752 3.013 10 5 EGBERN Cc1cc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164103587 1383156707 /nfs/dbraw/zinc/15/67/07/1383156707.db2.gz SILDWPQUUJTBJA-RULNRJAQSA-N 0 0 346.305 3.138 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)c2c1 ZINC001164130917 1383159224 /nfs/dbraw/zinc/15/92/24/1383159224.db2.gz FURXBFXPPDAZSX-VTPLQMEGSA-N 0 0 327.384 3.278 10 5 EGBERN COC(=O)c1cccc2c1OCCN(c1ccc([N+](=O)[O-])c(C)c1)C2 ZINC001164265091 1383172714 /nfs/dbraw/zinc/17/27/14/1383172714.db2.gz OFVVVDPKFNBOBY-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN CCc1noc([C@H]2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001164284339 1383174425 /nfs/dbraw/zinc/17/44/25/1383174425.db2.gz YVYROKLQYXPOPL-VHSXEESVSA-N 0 0 347.331 3.197 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC001164383921 1383183439 /nfs/dbraw/zinc/18/34/39/1383183439.db2.gz QFWVQUPTFWDWMX-SECBINFHSA-N 0 0 342.421 3.251 10 5 EGBERN CCNc1ccc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])cn1 ZINC001164393394 1383184224 /nfs/dbraw/zinc/18/42/24/1383184224.db2.gz IPYFRFPBBPHSRN-UHFFFAOYSA-N 0 0 327.319 3.274 10 5 EGBERN COC(=O)C1(c2ccc(COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001164575871 1383200852 /nfs/dbraw/zinc/20/08/52/1383200852.db2.gz XBWNKHSPKDMNRI-UHFFFAOYSA-N 0 0 327.336 3.378 10 5 EGBERN CO[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC001298157253 1383379807 /nfs/dbraw/zinc/37/98/07/1383379807.db2.gz HPPTVKKYYUXIOC-AWEZNQCLSA-N 0 0 340.807 3.064 10 5 EGBERN CCc1nnc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC001166754212 1383471863 /nfs/dbraw/zinc/47/18/63/1383471863.db2.gz WIKFOWASXYJITA-UHFFFAOYSA-N 0 0 332.341 3.488 10 5 EGBERN COc1cccc(SC)c1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001299496828 1383549880 /nfs/dbraw/zinc/54/98/80/1383549880.db2.gz RDVFUWOPCYBBQM-UHFFFAOYSA-N 0 0 333.369 3.160 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(F)(F)F)o1 ZINC001300028346 1383640266 /nfs/dbraw/zinc/64/02/66/1383640266.db2.gz YEBXHICKXAPMQX-GFCCVEGCSA-N 0 0 343.261 3.112 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(N)c([N+](=O)[O-])c1 ZINC001300207219 1383652221 /nfs/dbraw/zinc/65/22/21/1383652221.db2.gz ZDRSJLHETWYRSW-GFJIZPEISA-N 0 0 331.416 3.430 10 5 EGBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001300206767 1383652475 /nfs/dbraw/zinc/65/24/75/1383652475.db2.gz QCAKYVAURAVWPH-PPWQZUPISA-N 0 0 331.416 3.338 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001300540062 1383669459 /nfs/dbraw/zinc/66/94/59/1383669459.db2.gz IUGKDGVUONNNEJ-URLYPYJESA-N 0 0 348.428 3.402 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2Cc3ccc(O)cc3C2)c1 ZINC001301072874 1383693788 /nfs/dbraw/zinc/69/37/88/1383693788.db2.gz IUZXKKMXCFOBSL-UHFFFAOYSA-N 0 0 330.365 3.178 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC001301810049 1383730835 /nfs/dbraw/zinc/73/08/35/1383730835.db2.gz PRPQHPUVDYHYKM-AULYBMBSSA-N 0 0 343.408 3.230 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001303377371 1383795885 /nfs/dbraw/zinc/79/58/85/1383795885.db2.gz DQIIWIFLMIOHRU-HOTGVXAUSA-N 0 0 348.786 3.490 10 5 EGBERN O=C(NC1CC(Cl)(Cl)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001304045413 1383825480 /nfs/dbraw/zinc/82/54/80/1383825480.db2.gz UTTGKQPJMPVWCH-UHFFFAOYSA-N 0 0 328.155 3.142 10 5 EGBERN O=C(Nc1n[nH]cc1-c1ccccc1)c1cc([N+](=O)[O-])ccc1F ZINC001304747069 1383853420 /nfs/dbraw/zinc/85/34/20/1383853420.db2.gz SCUVDEJCGPFGHE-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN O=C(Nc1cncnc1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001306820846 1383906361 /nfs/dbraw/zinc/90/63/61/1383906361.db2.gz CCXIFNKGCZMREZ-UHFFFAOYSA-N 0 0 331.090 3.083 10 5 EGBERN NC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC001306924321 1383921158 /nfs/dbraw/zinc/92/11/58/1383921158.db2.gz FSAJKSDRFMGHLT-UHFFFAOYSA-N 0 0 326.356 3.038 10 5 EGBERN CC(C)Oc1nc(NC[C@@H]2COc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001306921596 1383921386 /nfs/dbraw/zinc/92/13/86/1383921386.db2.gz YSKNTRMAUHOYOE-CYBMUJFWSA-N 0 0 343.383 3.440 10 5 EGBERN C[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H](C)S1 ZINC001306984280 1383930006 /nfs/dbraw/zinc/93/00/06/1383930006.db2.gz OAQKSOMABNOMLX-AOOOYVTPSA-N 0 0 348.384 3.381 10 5 EGBERN COc1cc(NC[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC001306983974 1383930009 /nfs/dbraw/zinc/93/00/09/1383930009.db2.gz VAMJITUOEUGDKM-YVEFUNNKSA-N 0 0 338.404 3.475 10 5 EGBERN CCC[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC001307072390 1383936942 /nfs/dbraw/zinc/93/69/42/1383936942.db2.gz MFFXAFQUWSSFJT-JTQLQIEISA-N 0 0 329.194 3.363 10 5 EGBERN C[Si](C)(C)c1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001307099795 1383940209 /nfs/dbraw/zinc/94/02/09/1383940209.db2.gz LFSCOHBQVQANII-UHFFFAOYSA-N 0 0 348.450 3.384 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCCOc1ccc(Cl)c(Cl)c1 ZINC001307130112 1383943220 /nfs/dbraw/zinc/94/32/20/1383943220.db2.gz VJMVMHBQJWMZMC-UHFFFAOYSA-N 0 0 331.159 3.126 10 5 EGBERN C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])c1cncc(F)c1 ZINC001307136882 1383943737 /nfs/dbraw/zinc/94/37/37/1383943737.db2.gz MLKQIZMPLHGWCY-SECBINFHSA-N 0 0 330.294 3.411 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cncc(OC)c2)cc1C ZINC001307165294 1383949028 /nfs/dbraw/zinc/94/90/28/1383949028.db2.gz DHNVOADJJZYEIC-UHFFFAOYSA-N 0 0 345.355 3.096 10 5 EGBERN Cc1cc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001307174357 1383950289 /nfs/dbraw/zinc/95/02/89/1383950289.db2.gz IKNRFNDSJKQIKP-GDBMZVCRSA-N 0 0 336.775 3.063 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CO[C@H](C2CC2)C1 ZINC001307181012 1383951435 /nfs/dbraw/zinc/95/14/35/1383951435.db2.gz MPXUGVDCPCDCRA-ABAIWWIYSA-N 0 0 333.775 3.198 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307206715 1383956789 /nfs/dbraw/zinc/95/67/89/1383956789.db2.gz SLGZKOBGFQBPCJ-HNNXBMFYSA-N 0 0 335.404 3.431 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1cccnc1C ZINC001307227695 1383961231 /nfs/dbraw/zinc/96/12/31/1383961231.db2.gz JIUODCIMGGSKQA-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001307296870 1383968171 /nfs/dbraw/zinc/96/81/71/1383968171.db2.gz DYVSCNWMQFHFBO-SWLSCSKDSA-N 0 0 327.764 3.355 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001307296871 1383968219 /nfs/dbraw/zinc/96/82/19/1383968219.db2.gz DYVSCNWMQFHFBO-WFASDCNBSA-N 0 0 327.764 3.355 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1cc(Cl)ccc1F ZINC001307340905 1383974135 /nfs/dbraw/zinc/97/41/35/1383974135.db2.gz JXEFKSRATHDMNP-UHFFFAOYSA-N 0 0 339.735 3.207 10 5 EGBERN COc1cc([N+](=O)[O-])cn(Cc2cc(Cl)cc3cccnc32)c1=O ZINC001307379828 1383979686 /nfs/dbraw/zinc/97/96/86/1383979686.db2.gz YJWRUJSNGZXBLY-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN COC(=O)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001308066605 1384084402 /nfs/dbraw/zinc/08/44/02/1384084402.db2.gz CUEYKOIFXCWGDV-ZBEGNZNMSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308166206 1384104200 /nfs/dbraw/zinc/10/42/00/1384104200.db2.gz IQXYBCJOJQJIQE-GHMZBOCLSA-N 0 0 343.221 3.357 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560701 1384134020 /nfs/dbraw/zinc/13/40/20/1384134020.db2.gz LKGHPHAIWJYHER-DHDCSXOGSA-N 0 0 345.443 3.329 10 5 EGBERN CC(C)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001170127138 1384242158 /nfs/dbraw/zinc/24/21/58/1384242158.db2.gz CLOCXFXUKKFWJA-QGZVFWFLSA-N 0 0 344.411 3.497 10 5 EGBERN O=C(N[C@@H]1CC12CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313248918 1384405204 /nfs/dbraw/zinc/40/52/04/1384405204.db2.gz AWOQNLVBEUWGMR-GOEBONIOSA-N 0 0 329.400 3.426 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC001171305969 1384490832 /nfs/dbraw/zinc/49/08/32/1384490832.db2.gz KYLMMFGNQOIKNJ-QGZVFWFLSA-N 0 0 338.379 3.185 10 5 EGBERN Cc1cc(C)c2c(c1)N(CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC001171706294 1384608206 /nfs/dbraw/zinc/60/82/06/1384608206.db2.gz INEAHRPBIIBQOX-UHFFFAOYSA-N 0 0 328.368 3.489 10 5 EGBERN Cc1ccc(CN(CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC001171756505 1384625785 /nfs/dbraw/zinc/62/57/85/1384625785.db2.gz NEWOMVPUEOUUOO-UHFFFAOYSA-N 0 0 334.416 3.457 10 5 EGBERN COc1cc(CN2CCCC[C@H]2c2ncccn2)c([N+](=O)[O-])cc1F ZINC001175844384 1385419918 /nfs/dbraw/zinc/41/99/18/1385419918.db2.gz GBHXYLYHZFRDHA-AWEZNQCLSA-N 0 0 346.362 3.260 10 5 EGBERN COc1ccc(C[C@H](C)N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001318372773 1385658156 /nfs/dbraw/zinc/65/81/56/1385658156.db2.gz SEWCUTQNBWQRGL-LBPRGKRZSA-N 0 0 346.358 3.446 10 5 EGBERN CCCC1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC001319017977 1385927299 /nfs/dbraw/zinc/92/72/99/1385927299.db2.gz QBLBVKFLMQQSPV-UHFFFAOYSA-N 0 0 334.372 3.034 10 5 EGBERN CCNc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cn1 ZINC001179708995 1386561363 /nfs/dbraw/zinc/56/13/63/1386561363.db2.gz YLPVCSYPFIJPBJ-UHFFFAOYSA-N 0 0 343.387 3.252 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCOC12CCCC2 ZINC001180188808 1386726373 /nfs/dbraw/zinc/72/63/73/1386726373.db2.gz GRGRSTQBYFLQNS-AWEZNQCLSA-N 0 0 338.791 3.009 10 5 EGBERN CCCC(=O)NCc1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC001698714167 1406356969 /nfs/dbraw/zinc/35/69/69/1406356969.db2.gz CMGRUDNVKYOKGE-UHFFFAOYSA-N 0 0 347.440 3.362 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1COCC2 ZINC001329641875 1389196544 /nfs/dbraw/zinc/19/65/44/1389196544.db2.gz NFYQTBHJLAXCOF-UHFFFAOYSA-N 0 0 342.351 3.319 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001329993651 1389281030 /nfs/dbraw/zinc/28/10/30/1389281030.db2.gz BXXXDOASHVFSOW-VLRKGOCCSA-N 0 0 339.342 3.451 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@](C)(F)C2)cc1Cl ZINC001330593429 1389464711 /nfs/dbraw/zinc/46/47/11/1389464711.db2.gz YQSCHFTXQJMQAD-CQSZACIVSA-N 0 0 330.743 3.363 10 5 EGBERN C/C(=C\C(=O)O[C@@H]1CCCc2nccnc21)c1ccc([N+](=O)[O-])cc1 ZINC001330649935 1389482770 /nfs/dbraw/zinc/48/27/70/1389482770.db2.gz BAXGQOAKKWUAGG-LPQFERQCSA-N 0 0 339.351 3.409 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001331243683 1389665581 /nfs/dbraw/zinc/66/55/81/1389665581.db2.gz JAAHHVIEWXCROC-IEBDPFPHSA-N 0 0 335.310 3.240 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC001331242706 1389665939 /nfs/dbraw/zinc/66/59/39/1389665939.db2.gz FZLKGHJYYWGUGA-UTUOFQBUSA-N 0 0 340.326 3.075 10 5 EGBERN CC1(C)OC[C@H]2C[C@]21Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001331313505 1389697483 /nfs/dbraw/zinc/69/74/83/1389697483.db2.gz VJTLILNEJZELDY-GLEZIHRCSA-N 0 0 334.763 3.171 10 5 EGBERN COC(=O)CC(C)(C)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001331698395 1389856580 /nfs/dbraw/zinc/85/65/80/1389856580.db2.gz URPKJSZVNXTANA-UHFFFAOYSA-N 0 0 344.367 3.162 10 5 EGBERN Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC001331975955 1389931652 /nfs/dbraw/zinc/93/16/52/1389931652.db2.gz PZWHXQWJZDUESO-UHFFFAOYSA-N 0 0 349.774 3.037 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001332005153 1389941977 /nfs/dbraw/zinc/94/19/77/1389941977.db2.gz RSCRTHHGAPXCPE-NSHDSACASA-N 0 0 338.791 3.327 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC001339585808 1390077256 /nfs/dbraw/zinc/07/72/56/1390077256.db2.gz HBNGMNWIFCOYJQ-KCJUWKMLSA-N 0 0 331.294 3.049 10 5 EGBERN COc1cc(OCc2nnc(Cc3ccsc3)o2)ccc1[N+](=O)[O-] ZINC001341586712 1390506599 /nfs/dbraw/zinc/50/65/99/1390506599.db2.gz OSKHAQATVPKXFN-UHFFFAOYSA-N 0 0 347.352 3.218 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001344839012 1390818317 /nfs/dbraw/zinc/81/83/17/1390818317.db2.gz LKVWGOZRISFMQG-XLMAVXFVSA-N 0 0 331.368 3.201 10 5 EGBERN C[C@H]1CCc2sc(-c3nnc(-c4nn(C)cc4[N+](=O)[O-])o3)cc2C1 ZINC001345509361 1390863127 /nfs/dbraw/zinc/86/31/27/1390863127.db2.gz SPZGYWYWBGCTLO-QMMMGPOBSA-N 0 0 345.384 3.232 10 5 EGBERN C[C@@H]1CCc2sc(-c3nnc(-c4nn(C)cc4[N+](=O)[O-])o3)cc2C1 ZINC001345509360 1390863254 /nfs/dbraw/zinc/86/32/54/1390863254.db2.gz SPZGYWYWBGCTLO-MRVPVSSYSA-N 0 0 345.384 3.232 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OC[C@@]12CCC[C@H]1OCC2 ZINC001345635853 1390870667 /nfs/dbraw/zinc/87/06/67/1390870667.db2.gz ACMVEFBIPMLDSI-ZBFHGGJFSA-N 0 0 337.397 3.189 10 5 EGBERN O=C(OCc1c(F)cncc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001345677509 1390875400 /nfs/dbraw/zinc/87/54/00/1390875400.db2.gz URQRYEQAWQSJFD-UHFFFAOYSA-N 0 0 348.305 3.433 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001345755783 1390883348 /nfs/dbraw/zinc/88/33/48/1390883348.db2.gz UOIIBEKLNDOEJM-NXEZZACHSA-N 0 0 327.768 3.279 10 5 EGBERN COc1ccc(-c2nnc(-c3csc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC001345878644 1390891128 /nfs/dbraw/zinc/89/11/28/1390891128.db2.gz XRQHBIDYNWFYAY-UHFFFAOYSA-N 0 0 333.325 3.391 10 5 EGBERN CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939434 1390895311 /nfs/dbraw/zinc/89/53/11/1390895311.db2.gz QIJYKEJXZJGJKH-HZPDHXFCSA-N 0 0 329.356 3.389 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1C[C@@H](Sc2ccccc2)C1 ZINC001346412949 1390934650 /nfs/dbraw/zinc/93/46/50/1390934650.db2.gz MYGVTKVGQDLZBZ-OTVXOJSOSA-N 0 0 347.396 3.048 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]1[C@H]1CCCOC1 ZINC001346488601 1390945668 /nfs/dbraw/zinc/94/56/68/1390945668.db2.gz HBJGXFBDQFPECT-JQWIXIFHSA-N 0 0 339.779 3.281 10 5 EGBERN CN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001346630237 1390964074 /nfs/dbraw/zinc/96/40/74/1390964074.db2.gz GZZJRANGIFPQMM-GFCCVEGCSA-N 0 0 329.356 3.391 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C[C@H](C)C1O ZINC001346630263 1390964096 /nfs/dbraw/zinc/96/40/96/1390964096.db2.gz HKLUWTIQIHPYCI-RYUDHWBXSA-N 0 0 343.383 3.229 10 5 EGBERN COC(=O)/C=C/c1ccc(NC2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001347257567 1391041441 /nfs/dbraw/zinc/04/14/41/1391041441.db2.gz JOFBCBZIVWYROI-VOQDSTEASA-N 0 0 338.310 3.237 10 5 EGBERN O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001347685094 1391110666 /nfs/dbraw/zinc/11/06/66/1391110666.db2.gz IOEIKJAIJBALCN-UHFFFAOYSA-N 0 0 342.399 3.481 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC2([C@@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348267779 1391196204 /nfs/dbraw/zinc/19/62/04/1391196204.db2.gz NIJVNQWHVCXYOO-AWEZNQCLSA-N 0 0 338.791 3.388 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC001348306593 1391202902 /nfs/dbraw/zinc/20/29/02/1391202902.db2.gz RHEGJYDESNMGTF-MRXNPFEDSA-N 0 0 348.447 3.227 10 5 EGBERN Cc1cc(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001348317691 1391205370 /nfs/dbraw/zinc/20/53/70/1391205370.db2.gz MWGUMNHLHYBKBG-LBPRGKRZSA-N 0 0 342.277 3.232 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC001348549053 1391236311 /nfs/dbraw/zinc/23/63/11/1391236311.db2.gz YXTDUPHVTQUROQ-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001348661169 1391250187 /nfs/dbraw/zinc/25/01/87/1391250187.db2.gz AGHVNOJCPAMDTF-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(Oc1ccc(Cl)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001348796293 1391268464 /nfs/dbraw/zinc/26/84/64/1391268464.db2.gz QXFHXIDHRRZWLZ-UHFFFAOYSA-N 0 0 335.678 3.483 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@H](F)C1 ZINC001348982892 1391292117 /nfs/dbraw/zinc/29/21/17/1391292117.db2.gz NAEHZTQBXISHHF-NEPJUHHUSA-N 0 0 349.318 3.216 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC001349067547 1391300431 /nfs/dbraw/zinc/30/04/31/1391300431.db2.gz FVGIPLSWWGIDLN-DFVUYQKZSA-N 0 0 328.315 3.484 10 5 EGBERN C[C@@H](CNC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001349145322 1391306555 /nfs/dbraw/zinc/30/65/55/1391306555.db2.gz BIEWZDCIBWRHPR-BBRMVZONSA-N 0 0 347.415 3.099 10 5 EGBERN C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349497743 1391335724 /nfs/dbraw/zinc/33/57/24/1391335724.db2.gz HURIRGHTEYYANS-XNJGSVPQSA-N 0 0 344.367 3.233 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2cc(=O)[nH]cc21 ZINC001349535821 1391338635 /nfs/dbraw/zinc/33/86/35/1391338635.db2.gz DVEPHANRCWUDTM-UHFFFAOYSA-N 0 0 345.261 3.379 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)c1nc2ccccc2o1 ZINC001349543959 1391339562 /nfs/dbraw/zinc/33/95/62/1391339562.db2.gz RGKODHUHTUDRCJ-UHFFFAOYSA-N 0 0 329.287 3.460 10 5 EGBERN Cc1c(NC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)cccc1[N+](=O)[O-] ZINC001349899542 1391382994 /nfs/dbraw/zinc/38/29/94/1391382994.db2.gz OZKHRUDEVNQJNL-HNNXBMFYSA-N 0 0 339.351 3.107 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nccc2ccsc21 ZINC001349942060 1391388885 /nfs/dbraw/zinc/38/88/85/1391388885.db2.gz KDWQUBZDHOFCFN-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN COc1ccc(NC(=O)Cc2cccc3ncccc23)c([N+](=O)[O-])c1 ZINC001349952090 1391390385 /nfs/dbraw/zinc/39/03/85/1391390385.db2.gz VPQIHAFFEAOVKN-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3c(F)cc(F)cc32)n1 ZINC001350184829 1391425978 /nfs/dbraw/zinc/42/59/78/1391425978.db2.gz BLJGBSDSFUBKMB-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN C[Si](C)(C)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001350388424 1391457019 /nfs/dbraw/zinc/45/70/19/1391457019.db2.gz NXRMXUUGLWSZJC-UHFFFAOYSA-N 0 0 346.434 3.460 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnn1CC(F)(F)F ZINC001350397257 1391458342 /nfs/dbraw/zinc/45/83/42/1391458342.db2.gz PTZIFSZFZRKMKN-UHFFFAOYSA-N 0 0 348.668 3.259 10 5 EGBERN Cc1ccc(NC(=O)[C@@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001350451883 1391467037 /nfs/dbraw/zinc/46/70/37/1391467037.db2.gz XOJNKIJCXOCKCP-QGZVFWFLSA-N 0 0 328.324 3.072 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCO[C@H]3CC3(F)F)c2c1 ZINC001350500122 1391471579 /nfs/dbraw/zinc/47/15/79/1391471579.db2.gz AKWMUXFPHSBXCD-JTQLQIEISA-N 0 0 344.705 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001350613941 1391490413 /nfs/dbraw/zinc/49/04/13/1391490413.db2.gz AQJYDSHQWKSXHT-UHFFFAOYSA-N 0 0 348.286 3.489 10 5 EGBERN Cc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001350646269 1391498053 /nfs/dbraw/zinc/49/80/53/1391498053.db2.gz GBJNSQALLLGRQN-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN O=C([C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001350887579 1391550962 /nfs/dbraw/zinc/55/09/62/1391550962.db2.gz MKMNKYLXNMULMP-DFBGVHRSSA-N 0 0 336.338 3.161 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001350966377 1391569724 /nfs/dbraw/zinc/56/97/24/1391569724.db2.gz ASWDUJLYLOUQIN-NUEKZKHPSA-N 0 0 347.415 3.175 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC001351379856 1391633966 /nfs/dbraw/zinc/63/39/66/1391633966.db2.gz NERAPJVECNEPHN-CQSZACIVSA-N 0 0 330.315 3.411 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)COCc1ccccc1C ZINC001351379998 1391634116 /nfs/dbraw/zinc/63/41/16/1391634116.db2.gz OMBRRQJBLWPXLQ-UHFFFAOYSA-N 0 0 330.340 3.067 10 5 EGBERN O=C(COCC(F)F)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001351486338 1391644270 /nfs/dbraw/zinc/64/42/70/1391644270.db2.gz BXUCZYFHNMCFBN-UHFFFAOYSA-N 0 0 344.097 3.227 10 5 EGBERN CN(C(=O)[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC001351683109 1391670075 /nfs/dbraw/zinc/67/00/75/1391670075.db2.gz IZZWTOGFPCSHBG-AWEZNQCLSA-N 0 0 330.315 3.263 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ncnc2sccc21 ZINC001352371322 1391789743 /nfs/dbraw/zinc/78/97/43/1391789743.db2.gz NITOWNNOCSVFAE-UHFFFAOYSA-N 0 0 336.279 3.130 10 5 EGBERN COCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1F ZINC001352703712 1391835033 /nfs/dbraw/zinc/83/50/33/1391835033.db2.gz OMTJYMIAYMFOBG-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1 ZINC001352868595 1391866386 /nfs/dbraw/zinc/86/63/86/1391866386.db2.gz GVNAMHKNMZPPTH-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CO[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353339242 1391992134 /nfs/dbraw/zinc/99/21/34/1391992134.db2.gz VJZSEQBRWKRSDQ-OAHLLOKOSA-N 0 0 336.294 3.069 10 5 EGBERN CC(=O)NCc1cccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001353696480 1392071559 /nfs/dbraw/zinc/07/15/59/1392071559.db2.gz GWDNBLLUWHKNPN-GFCCVEGCSA-N 0 0 342.351 3.149 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ocnc1C(F)F ZINC001353709715 1392073244 /nfs/dbraw/zinc/07/32/44/1392073244.db2.gz KBSFFMSXMIEWDX-UHFFFAOYSA-N 0 0 349.196 3.374 10 5 EGBERN COCc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC001354623748 1392157157 /nfs/dbraw/zinc/15/71/57/1392157157.db2.gz JQXGSBOEELMBIR-LLVKDONJSA-N 0 0 332.331 3.371 10 5 EGBERN O=C(Oc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001354877118 1392174499 /nfs/dbraw/zinc/17/44/99/1392174499.db2.gz ZPUQPVGCSLGMPD-UHFFFAOYSA-N 0 0 327.271 3.139 10 5 EGBERN Cc1c(NC(=O)c2ccc(C3OCCO3)cc2)cccc1[N+](=O)[O-] ZINC001355004694 1392184859 /nfs/dbraw/zinc/18/48/59/1392184859.db2.gz OZMMVKJFIWJFIH-UHFFFAOYSA-N 0 0 328.324 3.201 10 5 EGBERN CCC1(C(=O)NC2CN(Cc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001481602463 1394418233 /nfs/dbraw/zinc/41/82/33/1394418233.db2.gz DZZLTPNNQHRMSN-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CCCCCCC(=O)N(C)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001483890203 1395130247 /nfs/dbraw/zinc/13/02/47/1395130247.db2.gz KHQOREWYWBUVOR-UHFFFAOYSA-N 0 0 333.432 3.208 10 5 EGBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC1(C)C ZINC001492784914 1396324152 /nfs/dbraw/zinc/32/41/52/1396324152.db2.gz RMLHQBMWTXJALJ-HNNXBMFYSA-N 0 0 343.431 3.220 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1[C@H]1C[C@H]1C ZINC001693472332 1406018888 /nfs/dbraw/zinc/01/88/88/1406018888.db2.gz UQQHNRBWMXJWIH-BZNIZROVSA-N 0 0 327.388 3.245 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C)C1CC1 ZINC001709937274 1417457377 /nfs/dbraw/zinc/45/73/77/1417457377.db2.gz KJKRRSSSVGNOSP-OCCSQVGLSA-N 0 0 341.415 3.498 10 5 EGBERN CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001716719277 1420876069 /nfs/dbraw/zinc/87/60/69/1420876069.db2.gz VNJIYWRUJHKWPB-HDICACEKSA-N 0 0 345.443 3.350 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCSC1 ZINC001728112050 1427138231 /nfs/dbraw/zinc/13/82/31/1427138231.db2.gz DBPQODORWXPHDX-CQSZACIVSA-N 0 0 347.444 3.205 10 5 EGBERN CCCN(CCNC(=O)C1(C)CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001731868908 1428120520 /nfs/dbraw/zinc/12/05/20/1428120520.db2.gz KEECZUXENRUVCV-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001752039478 1440134663 /nfs/dbraw/zinc/13/46/63/1440134663.db2.gz MYRDVDGEWXTYJZ-DOMZBBRYSA-N 0 0 341.415 3.356 10 5 EGBERN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCOCC1 ZINC000368470668 168360793 /nfs/dbraw/zinc/36/07/93/168360793.db2.gz NHLOOIIUZNUDGS-NSHDSACASA-N 0 0 347.396 3.474 10 5 EGBERN CC[C@H](NC(=O)NCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000187443000 529515467 /nfs/dbraw/zinc/51/54/67/529515467.db2.gz HSWJXWCOQASGTN-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN COc1ccc(CC(=O)OCCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000067788961 215213822 /nfs/dbraw/zinc/21/38/22/215213822.db2.gz WSLVCCOQBLTHPX-UHFFFAOYSA-N 0 0 344.367 3.025 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000103326485 219292197 /nfs/dbraw/zinc/29/21/97/219292197.db2.gz SNGDOBDBSGSZQL-LSDHHAIUSA-N 0 0 347.415 3.173 10 5 EGBERN Cc1nn(CCC(=O)NC[C@H](C)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000127109351 222795055 /nfs/dbraw/zinc/79/50/55/222795055.db2.gz QAFDATPUCCDIEL-ZDUSSCGKSA-N 0 0 344.415 3.027 10 5 EGBERN Cc1cccc(Nc2ncnc(-n3nnc4ccccc43)c2[N+](=O)[O-])c1 ZINC000040648585 213364138 /nfs/dbraw/zinc/36/41/38/213364138.db2.gz WCHPCYSPGPYQOE-UHFFFAOYSA-N 0 0 347.338 3.171 10 5 EGBERN O=[N+]([O-])c1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCCC1 ZINC000040608970 213358340 /nfs/dbraw/zinc/35/83/40/213358340.db2.gz CZZDUSBDZJSSCT-UHFFFAOYSA-N 0 0 343.431 3.366 10 5 EGBERN CCCCOc1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 ZINC000040608357 213357402 /nfs/dbraw/zinc/35/74/02/213357402.db2.gz NDBGUCXSPOOHHE-UHFFFAOYSA-N 0 0 331.376 3.373 10 5 EGBERN CCCNc1ncnc(Nc2ccc(C(=O)OCC)cc2)c1[N+](=O)[O-] ZINC000040596881 213356716 /nfs/dbraw/zinc/35/67/16/213356716.db2.gz CCHXWVBIPRMRSR-UHFFFAOYSA-N 0 0 345.359 3.127 10 5 EGBERN O=c1c2oc3ccccc3c2ncn1Cc1csc([N+](=O)[O-])c1 ZINC000040554076 213349102 /nfs/dbraw/zinc/34/91/02/213349102.db2.gz BBKXTYCOMDWZFJ-UHFFFAOYSA-N 0 0 327.321 3.161 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000183389173 235042475 /nfs/dbraw/zinc/04/24/75/235042475.db2.gz QSUSUJXCEZZKEI-UHFFFAOYSA-N 0 0 349.394 3.178 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000105851985 219560854 /nfs/dbraw/zinc/56/08/54/219560854.db2.gz VPAUSDHBVABTNH-AWEZNQCLSA-N 0 0 342.399 3.139 10 5 EGBERN C[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000031664656 212741975 /nfs/dbraw/zinc/74/19/75/212741975.db2.gz PIIAGPZRDNMUKQ-ZDUSSCGKSA-N 0 0 340.383 3.168 10 5 EGBERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)o1 ZINC000191777994 239292663 /nfs/dbraw/zinc/29/26/63/239292663.db2.gz AJLYNFJYNKDMIJ-OAHLLOKOSA-N 0 0 329.356 3.446 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000352218612 291297300 /nfs/dbraw/zinc/29/73/00/291297300.db2.gz YDJNNHSZACUZRZ-WCBMZHEXSA-N 0 0 341.289 3.489 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)c1ccccc1 ZINC000020946092 212192042 /nfs/dbraw/zinc/19/20/42/212192042.db2.gz LRLOIRARBULJTD-KRWDZBQOSA-N 0 0 325.324 3.008 10 5 EGBERN CCc1cc(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000078592542 217081283 /nfs/dbraw/zinc/08/12/83/217081283.db2.gz JGOOOYPJIYBYFU-AWEZNQCLSA-N 0 0 331.376 3.164 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000111700450 220182502 /nfs/dbraw/zinc/18/25/02/220182502.db2.gz GEARIKBSMSUZDN-OAHLLOKOSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1csc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000088328616 217746152 /nfs/dbraw/zinc/74/61/52/217746152.db2.gz XNWKDENYQWEMAC-JTQLQIEISA-N 0 0 326.399 3.036 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCC2)n1 ZINC000265281045 247368224 /nfs/dbraw/zinc/36/82/24/247368224.db2.gz INDYIUVUWOZEAY-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000378388638 169112307 /nfs/dbraw/zinc/11/23/07/169112307.db2.gz OSOAONYTYCJQBK-FUHWJXTLSA-N 0 0 340.379 3.411 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cccc4ccccc43)C2)n1 ZINC000378608104 169146412 /nfs/dbraw/zinc/14/64/12/169146412.db2.gz PMUFGRXSBSFCIY-UHFFFAOYSA-N 0 0 348.362 3.021 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000408376489 169173043 /nfs/dbraw/zinc/17/30/43/169173043.db2.gz SNCJKDALTMIRBH-ZANVPECISA-N 0 0 339.189 3.372 10 5 EGBERN O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408077180 169159025 /nfs/dbraw/zinc/15/90/25/169159025.db2.gz UENOXJUXDUDZOC-XOKHGSTOSA-N 0 0 343.427 3.481 10 5 EGBERN Cc1cccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408208404 169165621 /nfs/dbraw/zinc/16/56/21/169165621.db2.gz WIUFAMRMAWGQPN-MRXNPFEDSA-N 0 0 332.400 3.325 10 5 EGBERN Cc1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000092068913 218113811 /nfs/dbraw/zinc/11/38/11/218113811.db2.gz HTCNJZAKTJVQGC-UHFFFAOYSA-N 0 0 342.321 3.288 10 5 EGBERN CC(=O)c1ccc(O[C@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009394355 211079006 /nfs/dbraw/zinc/07/90/06/211079006.db2.gz SKBCMEWVPMVDJK-CYBMUJFWSA-N 0 0 343.335 3.308 10 5 EGBERN Cc1ccc([C@H]2CSCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000095432619 218374864 /nfs/dbraw/zinc/37/48/64/218374864.db2.gz OYUDLQAAKLVWSD-CVEARBPZSA-N 0 0 348.424 3.320 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)CCc3cccc([N+](=O)[O-])c3)nc21 ZINC000095451757 218396507 /nfs/dbraw/zinc/39/65/07/218396507.db2.gz NCZUKVYKQSPKRQ-UHFFFAOYSA-N 0 0 338.367 3.029 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000268619809 252074576 /nfs/dbraw/zinc/07/45/76/252074576.db2.gz BFRDANCHGDTAPK-CPUCHLNUSA-N 0 0 346.383 3.073 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN3c4ccccc4C[C@H]3C2)n1 ZINC000408227106 291824915 /nfs/dbraw/zinc/82/49/15/291824915.db2.gz RDWUZVJTPVJNLE-INIZCTEOSA-N 0 0 338.411 3.248 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000268212970 285126992 /nfs/dbraw/zinc/12/69/92/285126992.db2.gz PIPMORAGRTUTTR-CQSZACIVSA-N 0 0 335.341 3.142 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000160327047 533124573 /nfs/dbraw/zinc/12/45/73/533124573.db2.gz WEUDEIOBRDTFQN-SITIDLGXSA-N 0 0 346.383 3.151 10 5 EGBERN CC(C)(C)c1nnc(CNc2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC000269340586 255566890 /nfs/dbraw/zinc/56/68/90/255566890.db2.gz BXIWDTQUIXCAAX-UHFFFAOYSA-N 0 0 327.797 3.404 10 5 EGBERN COc1cccc([C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119195983 221263966 /nfs/dbraw/zinc/26/39/66/221263966.db2.gz NSEPTJHIVXEXQL-LJQANCHMSA-N 0 0 342.395 3.219 10 5 EGBERN Cc1nn(C[C@H](C)C(=O)Nc2ccc(F)cc2C)c(C)c1[N+](=O)[O-] ZINC000002795552 257837553 /nfs/dbraw/zinc/83/75/53/257837553.db2.gz VECHPCKFCZVBRG-JTQLQIEISA-N 0 0 334.351 3.130 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC12CCOCC2 ZINC000372967599 296497744 /nfs/dbraw/zinc/49/77/44/296497744.db2.gz OBBSQOIKZKYFDZ-UHFFFAOYSA-N 0 0 327.178 3.117 10 5 EGBERN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccco1 ZINC000008172516 135682985 /nfs/dbraw/zinc/68/29/85/135682985.db2.gz LMIMLFHIINZKBF-CYBMUJFWSA-N 0 0 343.383 3.282 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000338091870 141092354 /nfs/dbraw/zinc/09/23/54/141092354.db2.gz IQQVEPOOVKCICE-INIZCTEOSA-N 0 0 344.342 3.468 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000338097750 141093747 /nfs/dbraw/zinc/09/37/47/141093747.db2.gz XFNBPVUTMYHJPC-JTQLQIEISA-N 0 0 331.347 3.370 10 5 EGBERN C[C@@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000338143918 141102404 /nfs/dbraw/zinc/10/24/04/141102404.db2.gz SVYMAZIFPJTKDO-AWEZNQCLSA-N 0 0 327.384 3.185 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000346281514 141190761 /nfs/dbraw/zinc/19/07/61/141190761.db2.gz VLWXLJVRRHTHKG-XYZCENFISA-N 0 0 348.305 3.054 10 5 EGBERN O=C(N[C@@H](CO)c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000356225841 141323102 /nfs/dbraw/zinc/32/31/02/141323102.db2.gz HITFIDQAYAMHEA-LBPRGKRZSA-N 0 0 348.405 3.334 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356854707 141355280 /nfs/dbraw/zinc/35/52/80/141355280.db2.gz UCWQYCRDVZLCHS-SECBINFHSA-N 0 0 349.265 3.224 10 5 EGBERN O=[N+]([O-])c1cnccc1NCC1(c2ccccc2Cl)CCOCC1 ZINC000357936374 141362222 /nfs/dbraw/zinc/36/22/22/141362222.db2.gz BVAWFOWIRFDOHB-UHFFFAOYSA-N 0 0 347.802 3.225 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000357954557 141366501 /nfs/dbraw/zinc/36/65/01/141366501.db2.gz LIRMFPDJQVBDMN-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN CCCC1(CCC)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000047171400 142565579 /nfs/dbraw/zinc/56/55/79/142565579.db2.gz RTBYMVBJWPIFSZ-UHFFFAOYSA-N 0 0 325.390 3.047 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000360257625 292087103 /nfs/dbraw/zinc/08/71/03/292087103.db2.gz LOBVZSUILWUBGG-GWCFXTLKSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1nc(C(=O)NCc2ccccc2[N+](=O)[O-])c(-c2ccccc2)o1 ZINC000184060361 144085424 /nfs/dbraw/zinc/08/54/24/144085424.db2.gz VWEPZPUNHSDCNT-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CCc1nc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cs1 ZINC000188147326 144169280 /nfs/dbraw/zinc/16/92/80/144169280.db2.gz WBBBZQGBJCIANP-UHFFFAOYSA-N 0 0 337.426 3.266 10 5 EGBERN CCOC(=O)c1c(C)onc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351554469 144278698 /nfs/dbraw/zinc/27/86/98/144278698.db2.gz IMUMLABUEFDBAT-UHFFFAOYSA-N 0 0 340.719 3.300 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000361705918 144351846 /nfs/dbraw/zinc/35/18/46/144351846.db2.gz STVMQIIERGQTLA-SNVBAGLBSA-N 0 0 347.293 3.256 10 5 EGBERN Cc1ccnc(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000363788277 144366985 /nfs/dbraw/zinc/36/69/85/144366985.db2.gz BISOIHSYDBOAQE-UHFFFAOYSA-N 0 0 330.363 3.212 10 5 EGBERN C[C@@H]1N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369897634 144454489 /nfs/dbraw/zinc/45/44/89/144454489.db2.gz KAPXCBCQMGPYAK-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000374815773 144557696 /nfs/dbraw/zinc/55/76/96/144557696.db2.gz DQEMPIUEDIHQKF-CYBMUJFWSA-N 0 0 331.397 3.476 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000341172490 155206862 /nfs/dbraw/zinc/20/68/62/155206862.db2.gz GNLCLMDQGSSRCM-NEPJUHHUSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000341335194 155238850 /nfs/dbraw/zinc/23/88/50/155238850.db2.gz DCMQKBYOIHWXQA-ZDUSSCGKSA-N 0 0 338.791 3.279 10 5 EGBERN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccnc1 ZINC000115472495 152013803 /nfs/dbraw/zinc/01/38/03/152013803.db2.gz MBCGXOXAEVERQD-NSHDSACASA-N 0 0 339.355 3.089 10 5 EGBERN CCNc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000341527155 155334449 /nfs/dbraw/zinc/33/44/49/155334449.db2.gz IESKZPAAZREAGG-UHFFFAOYSA-N 0 0 341.371 3.255 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000116275425 152054853 /nfs/dbraw/zinc/05/48/53/152054853.db2.gz OEJNIHMFPWJIEV-CYBMUJFWSA-N 0 0 339.804 3.278 10 5 EGBERN CC(=O)c1ccc(OCc2nc(C3CCCC3)no2)c([N+](=O)[O-])c1 ZINC000120306193 152267147 /nfs/dbraw/zinc/26/71/47/152267147.db2.gz SPAATTVFGYQGSY-UHFFFAOYSA-N 0 0 331.328 3.417 10 5 EGBERN Cc1sc(C(=O)NCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000121093631 152324594 /nfs/dbraw/zinc/32/45/94/152324594.db2.gz CBLFALXPTDAZRL-UHFFFAOYSA-N 0 0 342.323 3.496 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H](OCC)C23CCC3)cc1[N+](=O)[O-] ZINC000152500471 152496290 /nfs/dbraw/zinc/49/62/90/152496290.db2.gz PCQPNTVEJLYLGQ-HZPDHXFCSA-N 0 0 348.399 3.071 10 5 EGBERN Cc1oc(-c2cccs2)nc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155868027 152644913 /nfs/dbraw/zinc/64/49/13/152644913.db2.gz SYIWXCJTHLUIEO-UHFFFAOYSA-N 0 0 331.353 3.138 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000172488196 152805899 /nfs/dbraw/zinc/80/58/99/152805899.db2.gz XCJZWHYKJJKMEH-UHFFFAOYSA-N 0 0 344.392 3.144 10 5 EGBERN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000172763626 152810001 /nfs/dbraw/zinc/81/00/01/152810001.db2.gz JAYFFWHLTNYWON-ZDUSSCGKSA-N 0 0 327.384 3.276 10 5 EGBERN C[C@@H](NCc1noc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000341589993 155370894 /nfs/dbraw/zinc/37/08/94/155370894.db2.gz SUSCTRIPXUAUOU-CYBMUJFWSA-N 0 0 338.367 3.419 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cnc2ccccc2c1 ZINC000189002340 153046554 /nfs/dbraw/zinc/04/65/54/153046554.db2.gz ZLXQTRNBPHRRDM-UHFFFAOYSA-N 0 0 335.363 3.344 10 5 EGBERN COc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000189958487 153109718 /nfs/dbraw/zinc/10/97/18/153109718.db2.gz LOBBKSNFMOIJBH-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000191180702 153178787 /nfs/dbraw/zinc/17/87/87/153178787.db2.gz YZIYTAKRXQDYRA-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN O=C(CN1CCCC[C@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000195370058 153399613 /nfs/dbraw/zinc/39/96/13/153399613.db2.gz QUJPUIBSSQYGLE-AWEZNQCLSA-N 0 0 346.412 3.217 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2C(F)F)cc([N+](=O)[O-])c1C ZINC000337305885 154273028 /nfs/dbraw/zinc/27/30/28/154273028.db2.gz TUVPBRCIGJWRPJ-LLVKDONJSA-N 0 0 328.315 3.172 10 5 EGBERN Cc1ccc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)s1 ZINC000337703720 154500648 /nfs/dbraw/zinc/50/06/48/154500648.db2.gz HNMJXALNONPHRT-UHFFFAOYSA-N 0 0 343.412 3.397 10 5 EGBERN Cc1ncc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000339198156 154746669 /nfs/dbraw/zinc/74/66/69/154746669.db2.gz KAKQLMAGBBSRGO-UHFFFAOYSA-N 0 0 326.356 3.142 10 5 EGBERN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000339230873 154764383 /nfs/dbraw/zinc/76/43/83/154764383.db2.gz MCGAMVDJIACDJG-UHFFFAOYSA-N 0 0 349.253 3.163 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000339853871 155003119 /nfs/dbraw/zinc/00/31/19/155003119.db2.gz FDGZXPVBFGZSOE-CQSZACIVSA-N 0 0 342.321 3.338 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000341032791 155126883 /nfs/dbraw/zinc/12/68/83/155126883.db2.gz WNWDPQHGNUEGRB-CYBMUJFWSA-N 0 0 348.362 3.498 10 5 EGBERN C[C@@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000343229554 155691811 /nfs/dbraw/zinc/69/18/11/155691811.db2.gz LZYYBLOVNOFCCM-OAHLLOKOSA-N 0 0 336.417 3.343 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000345356681 156067658 /nfs/dbraw/zinc/06/76/58/156067658.db2.gz OEFGGQSVMYGTIK-UHFFFAOYSA-N 0 0 328.290 3.212 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Nc3ccccc3)c2)n1 ZINC000345432004 156101705 /nfs/dbraw/zinc/10/17/05/156101705.db2.gz XVHCEBSEERRUBF-UHFFFAOYSA-N 0 0 337.339 3.324 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346886291 156178891 /nfs/dbraw/zinc/17/88/91/156178891.db2.gz IAFNOFHUEPNZOO-LBPRGKRZSA-N 0 0 333.310 3.343 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000347014115 156246983 /nfs/dbraw/zinc/24/69/83/156246983.db2.gz LMUHLJOVEBRADE-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN CCOCCN(CC)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348849226 156260779 /nfs/dbraw/zinc/26/07/79/156260779.db2.gz AGTRUEIWMUOTJB-UHFFFAOYSA-N 0 0 334.294 3.112 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1C ZINC000348932394 156291052 /nfs/dbraw/zinc/29/10/52/156291052.db2.gz XNIFGSWTGDDCNM-VIFPVBQESA-N 0 0 341.367 3.334 10 5 EGBERN Cc1c(NC(=O)c2cncs2)cc(Br)cc1[N+](=O)[O-] ZINC000352635029 156392563 /nfs/dbraw/zinc/39/25/63/156392563.db2.gz BGIHMFXHGZQIQA-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000362135697 157038656 /nfs/dbraw/zinc/03/86/56/157038656.db2.gz SVGUKDTYWSSYHH-HNNXBMFYSA-N 0 0 330.388 3.135 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000372468696 157338638 /nfs/dbraw/zinc/33/86/38/157338638.db2.gz LLAPMMLVDSXZBB-HNNXBMFYSA-N 0 0 340.383 3.395 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000372475680 157340542 /nfs/dbraw/zinc/34/05/42/157340542.db2.gz SAKJQHXYZCQUHN-INIZCTEOSA-N 0 0 332.400 3.143 10 5 EGBERN Cc1nc(C)c(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000108317452 162077056 /nfs/dbraw/zinc/07/70/56/162077056.db2.gz XHINANSDGLCHLK-UHFFFAOYSA-N 0 0 325.415 3.011 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110356467 162125200 /nfs/dbraw/zinc/12/52/00/162125200.db2.gz HKNXZDNYXNWEJM-LBPRGKRZSA-N 0 0 347.440 3.215 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110445122 162127158 /nfs/dbraw/zinc/12/71/58/162127158.db2.gz PBZDFVOWHMJWKW-HZPDHXFCSA-N 0 0 339.395 3.317 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000195521152 162861366 /nfs/dbraw/zinc/86/13/66/162861366.db2.gz UOONOBNZEQFODL-GFCCVEGCSA-N 0 0 325.777 3.283 10 5 EGBERN COC(=O)c1cc(N[C@@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000247822267 162976678 /nfs/dbraw/zinc/97/66/78/162976678.db2.gz INUSJIOEHUTKHQ-JTQLQIEISA-N 0 0 340.339 3.431 10 5 EGBERN CN1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000249207504 163060585 /nfs/dbraw/zinc/06/05/85/163060585.db2.gz BVADKHRYRXAPHZ-WCQYABFASA-N 0 0 340.355 3.187 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(-n4cccn4)c3)n2)c1 ZINC000354309589 166000852 /nfs/dbraw/zinc/00/08/52/166000852.db2.gz ZNOWIDNFVSVLLC-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000338645739 163304729 /nfs/dbraw/zinc/30/47/29/163304729.db2.gz SIXJGDGEIGKFAM-AWEZNQCLSA-N 0 0 348.428 3.387 10 5 EGBERN Cc1cc(N[C@H](C)Cn2cncn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338652318 163306337 /nfs/dbraw/zinc/30/63/37/163306337.db2.gz GZHUBLNALQMYGW-SECBINFHSA-N 0 0 329.282 3.014 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(-n2cccn2)c(F)c1 ZINC000338740649 163336029 /nfs/dbraw/zinc/33/60/29/163336029.db2.gz DTYMQBPMVJJTDO-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN CC1(C)SC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338817735 163356108 /nfs/dbraw/zinc/35/61/08/163356108.db2.gz WDPCDKCIQPMHNH-CQSZACIVSA-N 0 0 335.429 3.163 10 5 EGBERN Cc1cc(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000342654842 163934017 /nfs/dbraw/zinc/93/40/17/163934017.db2.gz NQFSRNOEWVTWFE-SNVBAGLBSA-N 0 0 348.790 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(CN(c2ncncc2Br)C2CC2)cc1 ZINC000343651989 164003703 /nfs/dbraw/zinc/00/37/03/164003703.db2.gz KYNQNMKSJMKVPA-UHFFFAOYSA-N 0 0 349.188 3.316 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343797377 164037086 /nfs/dbraw/zinc/03/70/86/164037086.db2.gz AHLBAOBFPSWNOD-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000343801551 164038107 /nfs/dbraw/zinc/03/81/07/164038107.db2.gz RMGVZECPINRJQQ-PIGZYNQJSA-N 0 0 338.354 3.454 10 5 EGBERN Cc1cc(CCNc2ccc([N+](=O)[O-])cc2Br)on1 ZINC000344024893 164085380 /nfs/dbraw/zinc/08/53/80/164085380.db2.gz ZRLDTCNZFHSISU-UHFFFAOYSA-N 0 0 326.150 3.308 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000344101070 164103102 /nfs/dbraw/zinc/10/31/02/164103102.db2.gz MNXWALPHIYHNCB-UHFFFAOYSA-N 0 0 345.384 3.159 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000344190359 164123245 /nfs/dbraw/zinc/12/32/45/164123245.db2.gz RDIQODFINPTMFB-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000344193656 164123491 /nfs/dbraw/zinc/12/34/91/164123491.db2.gz ZIWICDPEZLVYRF-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN CN(C(=O)CCCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000344207996 164126940 /nfs/dbraw/zinc/12/69/40/164126940.db2.gz JTCALSKBYVFFQG-UHFFFAOYSA-N 0 0 335.310 3.254 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccc(O)cc1 ZINC000344220628 164130041 /nfs/dbraw/zinc/13/00/41/164130041.db2.gz ZUSIPGLDAXIIKW-UHFFFAOYSA-N 0 0 344.367 3.116 10 5 EGBERN CN(C(=O)c1csc(Br)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344231694 164131759 /nfs/dbraw/zinc/13/17/59/164131759.db2.gz ZATMHSYSOJNBEA-UHFFFAOYSA-N 0 0 342.174 3.090 10 5 EGBERN Cc1nnc(Sc2ccc([N+](=O)[O-])nc2)n1-c1ccccc1C ZINC000344418539 164174782 /nfs/dbraw/zinc/17/47/82/164174782.db2.gz LZNAJFCUWYJBIN-UHFFFAOYSA-N 0 0 327.369 3.339 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000344528033 164187776 /nfs/dbraw/zinc/18/77/76/164187776.db2.gz MJGDKJUNAFXKEV-JTQLQIEISA-N 0 0 347.321 3.336 10 5 EGBERN CC(=O)Nc1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000345776757 164263956 /nfs/dbraw/zinc/26/39/56/164263956.db2.gz LDVHBHTYSLSAEL-UHFFFAOYSA-N 0 0 341.367 3.218 10 5 EGBERN Cn1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000345819398 164271605 /nfs/dbraw/zinc/27/16/05/164271605.db2.gz PRNCMWZFFCZKEQ-UHFFFAOYSA-N 0 0 328.397 3.347 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nc(Cc3ccccn3)no2)cc1 ZINC000346041129 164324155 /nfs/dbraw/zinc/32/41/55/164324155.db2.gz BLCLVEGIMLNRRC-UHFFFAOYSA-N 0 0 339.355 3.008 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc4cnccc43)no2)n1 ZINC000346404866 164381655 /nfs/dbraw/zinc/38/16/55/164381655.db2.gz QXFLJPJLGDHCBK-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnn(CC(C)C)c2C)cc1[N+](=O)[O-] ZINC000346776166 164430778 /nfs/dbraw/zinc/43/07/78/164430778.db2.gz ZBMIGUISAUNESE-UHFFFAOYSA-N 0 0 346.387 3.407 10 5 EGBERN CN(Cc1cnccn1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347157720 164452927 /nfs/dbraw/zinc/45/29/27/164452927.db2.gz PDXDZTRJCUUTRN-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000347834308 164590174 /nfs/dbraw/zinc/59/01/74/164590174.db2.gz QZEGDONIDRCCLU-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN Cn1c(C(=O)N2CC=C(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC000349496571 164888269 /nfs/dbraw/zinc/88/82/69/164888269.db2.gz XOODXSQLQYBNIL-UHFFFAOYSA-N 0 0 347.321 3.141 10 5 EGBERN CCOc1ccc(-c2nc([C@](C)(OC)C3CC3)no2)cc1[N+](=O)[O-] ZINC000350420692 165048068 /nfs/dbraw/zinc/04/80/68/165048068.db2.gz OSXPQTWXJDKUSA-MRXNPFEDSA-N 0 0 333.344 3.315 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351635157 165106997 /nfs/dbraw/zinc/10/69/97/165106997.db2.gz OXONJMKGLMSSDF-OAHLLOKOSA-N 0 0 327.356 3.043 10 5 EGBERN COc1cc(CNc2ccc(C)c(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000352020245 165194945 /nfs/dbraw/zinc/19/49/45/165194945.db2.gz GHCBDQDKNWSODZ-UHFFFAOYSA-N 0 0 329.356 3.482 10 5 EGBERN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC000355046482 166092488 /nfs/dbraw/zinc/09/24/88/166092488.db2.gz PJEYRNKBGWDMPT-GFCCVEGCSA-N 0 0 347.375 3.187 10 5 EGBERN Cc1cc(Cl)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC000355711065 166287621 /nfs/dbraw/zinc/28/76/21/166287621.db2.gz RWPMISGHYLDPHU-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)s1 ZINC000355875779 166334506 /nfs/dbraw/zinc/33/45/06/166334506.db2.gz AODPGASOKPMVOQ-UHFFFAOYSA-N 0 0 347.274 3.088 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000356790933 166509926 /nfs/dbraw/zinc/50/99/26/166509926.db2.gz IBPHYYAJYWIKPB-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN CC(=O)c1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1C)OCO2 ZINC000357316206 166645490 /nfs/dbraw/zinc/64/54/90/166645490.db2.gz SVJDDOUXPVAXMB-UHFFFAOYSA-N 0 0 342.307 3.087 10 5 EGBERN C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1F ZINC000357326101 166647653 /nfs/dbraw/zinc/64/76/53/166647653.db2.gz DUYIRMHBKHQJLR-LLVKDONJSA-N 0 0 342.330 3.449 10 5 EGBERN CN(C)c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000358578414 166905344 /nfs/dbraw/zinc/90/53/44/166905344.db2.gz NECWERUFORKQSR-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000359051088 167050147 /nfs/dbraw/zinc/05/01/47/167050147.db2.gz MLURWOWRBGQNHF-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1noc(C2CCC(Nc3nc(C)cc(C)c3[N+](=O)[O-])CC2)n1 ZINC000359095875 167065285 /nfs/dbraw/zinc/06/52/85/167065285.db2.gz KKQCNSATDKIGOS-UHFFFAOYSA-N 0 0 331.376 3.436 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000359146319 167080700 /nfs/dbraw/zinc/08/07/00/167080700.db2.gz YJONRGMWJAKPOZ-ZDUSSCGKSA-N 0 0 344.415 3.385 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359206357 167095597 /nfs/dbraw/zinc/09/55/97/167095597.db2.gz YBHWCNFRBUTHOS-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000359337494 167130096 /nfs/dbraw/zinc/13/00/96/167130096.db2.gz XQOPOBVDSOZHHG-LBPRGKRZSA-N 0 0 343.387 3.445 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000359342452 167131017 /nfs/dbraw/zinc/13/10/17/167131017.db2.gz DXFJMIRXNGJFCN-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CCc1ncsc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359402642 167146524 /nfs/dbraw/zinc/14/65/24/167146524.db2.gz SNIBMLSBRYIQNG-UHFFFAOYSA-N 0 0 343.311 3.467 10 5 EGBERN COc1cc(C(=O)Nc2scnc2C2CC2)cc([N+](=O)[O-])c1C ZINC000359896495 167261940 /nfs/dbraw/zinc/26/19/40/167261940.db2.gz HBDANMMUAIUHCK-UHFFFAOYSA-N 0 0 333.369 3.498 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000360392070 167319097 /nfs/dbraw/zinc/31/90/97/167319097.db2.gz FGRITOBBCIAQOV-KGLIPLIRSA-N 0 0 345.330 3.420 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000360458137 167334006 /nfs/dbraw/zinc/33/40/06/167334006.db2.gz GAHHJLPFZCOHJT-JKSUJKDBSA-N 0 0 346.408 3.046 10 5 EGBERN O=C(NCCCCF)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000360511046 167345373 /nfs/dbraw/zinc/34/53/73/167345373.db2.gz YUPHFFBOADAXFT-UHFFFAOYSA-N 0 0 338.257 3.015 10 5 EGBERN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000360700613 167391237 /nfs/dbraw/zinc/39/12/37/167391237.db2.gz UAXOMRVUDUFPGK-DZGCQCFKSA-N 0 0 325.368 3.083 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccccc2)CC1 ZINC000360843472 167428493 /nfs/dbraw/zinc/42/84/93/167428493.db2.gz XPPVOWHDFQTXKS-UHFFFAOYSA-N 0 0 325.368 3.124 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000362497733 167774431 /nfs/dbraw/zinc/77/44/31/167774431.db2.gz JSDBKIKCNPVBEX-OAHLLOKOSA-N 0 0 348.399 3.240 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc[nH]c2C2CCC2)cc([N+](=O)[O-])c1 ZINC000362804677 167841529 /nfs/dbraw/zinc/84/15/29/167841529.db2.gz GVZOKSLNQWKUQI-UHFFFAOYSA-N 0 0 343.339 3.229 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000365951955 168064043 /nfs/dbraw/zinc/06/40/43/168064043.db2.gz ALARSHRCXZRZBD-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000365957408 168064882 /nfs/dbraw/zinc/06/48/82/168064882.db2.gz WYKIZCYKAHBOKO-ZFWWWQNUSA-N 0 0 325.368 3.316 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366194931 168093298 /nfs/dbraw/zinc/09/32/98/168093298.db2.gz JRNGMXGSCNUYOF-GOSISDBHSA-N 0 0 325.368 3.184 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000367993695 168294302 /nfs/dbraw/zinc/29/43/02/168294302.db2.gz ZVNXKIBVDAZIIS-CQSZACIVSA-N 0 0 331.397 3.096 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000368080024 168307509 /nfs/dbraw/zinc/30/75/09/168307509.db2.gz XXVHWQPGIVZBIX-DIFFPNOSSA-N 0 0 328.372 3.123 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000368080026 168307648 /nfs/dbraw/zinc/30/76/48/168307648.db2.gz XXVHWQPGIVZBIX-PIGZYNQJSA-N 0 0 328.372 3.123 10 5 EGBERN COc1ccc2ccccc2c1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000157297278 224802706 /nfs/dbraw/zinc/80/27/06/224802706.db2.gz PVWSLTNQKIDHOB-UHFFFAOYSA-N 0 0 349.350 3.411 10 5 EGBERN O=C(NCCC1=CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000160314116 225386654 /nfs/dbraw/zinc/38/66/54/225386654.db2.gz JGCXXRBJBWYDPA-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1F ZINC000088351897 264699298 /nfs/dbraw/zinc/69/92/98/264699298.db2.gz NIVJEAPHGQKDED-SECBINFHSA-N 0 0 335.310 3.255 10 5 EGBERN Cc1cc(C(=O)NCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000156549414 264828010 /nfs/dbraw/zinc/82/80/10/264828010.db2.gz WJKGTVOSQFPUSP-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000162559008 264909246 /nfs/dbraw/zinc/90/92/46/264909246.db2.gz GFUVSEJSSNQEFE-MRXNPFEDSA-N 0 0 329.356 3.412 10 5 EGBERN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000174669508 265063006 /nfs/dbraw/zinc/06/30/06/265063006.db2.gz IHVNBTYSAPAFMW-AWEZNQCLSA-N 0 0 328.368 3.409 10 5 EGBERN CC(C)(NC(=O)NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000175383711 265112022 /nfs/dbraw/zinc/11/20/22/265112022.db2.gz COFPBBNHRXRNCI-UHFFFAOYSA-N 0 0 333.413 3.433 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1Cn1ccnc1 ZINC000176343137 265171686 /nfs/dbraw/zinc/17/16/86/265171686.db2.gz VCOJZHNPDSCIOO-GFCCVEGCSA-N 0 0 349.778 3.141 10 5 EGBERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000176580859 265188992 /nfs/dbraw/zinc/18/89/92/265188992.db2.gz ZSDKMJPLLYRKOR-LBPRGKRZSA-N 0 0 332.331 3.069 10 5 EGBERN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000193637629 266049801 /nfs/dbraw/zinc/04/98/01/266049801.db2.gz GRKABLDTDALMRH-SNVBAGLBSA-N 0 0 337.763 3.439 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(COC(C)C)cc1 ZINC000193964811 266079126 /nfs/dbraw/zinc/07/91/26/266079126.db2.gz RYMBKNNQBRPMRJ-UHFFFAOYSA-N 0 0 329.356 3.476 10 5 EGBERN CCCN(C(=O)[C@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000194139748 266094158 /nfs/dbraw/zinc/09/41/58/266094158.db2.gz QNQZPCDCBFBTAJ-AWEZNQCLSA-N 0 0 330.388 3.412 10 5 EGBERN Cc1c(CNC(=O)c2cc([N+](=O)[O-])cnc2C)oc2ccc(F)cc12 ZINC000194294002 266104492 /nfs/dbraw/zinc/10/44/92/266104492.db2.gz DOKYDTWDWOIBAB-UHFFFAOYSA-N 0 0 343.314 3.422 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194486140 266121785 /nfs/dbraw/zinc/12/17/85/266121785.db2.gz PLQFXXLLIWCSIE-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(C3CCCCC3)s2)n1 ZINC000272810447 266923313 /nfs/dbraw/zinc/92/33/13/266923313.db2.gz MYAQTESPGVXBCX-UHFFFAOYSA-N 0 0 335.389 3.085 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000275520391 267375050 /nfs/dbraw/zinc/37/50/50/267375050.db2.gz JNABNRQINVTMSW-ZFWWWQNUSA-N 0 0 335.404 3.164 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@H](CC(F)(F)F)C1 ZINC000277331671 267762098 /nfs/dbraw/zinc/76/20/98/267762098.db2.gz DVIFOAAFMSQXNG-SSDOTTSWSA-N 0 0 338.232 3.288 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277478369 267800707 /nfs/dbraw/zinc/80/07/07/267800707.db2.gz QTOYSOPOAKWFDQ-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000106604410 275169357 /nfs/dbraw/zinc/16/93/57/275169357.db2.gz IFGRVSLHWKDHDU-DLBZAZTESA-N 0 0 326.352 3.370 10 5 EGBERN O=C1[C@H](N2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297772 275189372 /nfs/dbraw/zinc/18/93/72/275189372.db2.gz DVQCGHQEHKHDLJ-HZPDHXFCSA-N 0 0 341.367 3.130 10 5 EGBERN Cc1nc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(C)s1 ZINC000178828418 275202219 /nfs/dbraw/zinc/20/22/19/275202219.db2.gz ZVNAOWAZGBMUFP-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000191528792 275222134 /nfs/dbraw/zinc/22/21/34/275222134.db2.gz ZCUSDQMSQLVFJU-HNNXBMFYSA-N 0 0 330.388 3.328 10 5 EGBERN COc1ccc(CC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194938419 275230782 /nfs/dbraw/zinc/23/07/82/275230782.db2.gz PUCNACTVPHOSPO-GFCCVEGCSA-N 0 0 343.383 3.058 10 5 EGBERN CC(C)(C(=O)NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000271933496 275242765 /nfs/dbraw/zinc/24/27/65/275242765.db2.gz QCYRKJXUQPNOKB-UHFFFAOYSA-N 0 0 333.775 3.237 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3nccc(C)c3[N+](=O)[O-])ccc21 ZINC000273505593 275245667 /nfs/dbraw/zinc/24/56/67/275245667.db2.gz OZYALDRTOHGWSF-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(F)(F)CC1 ZINC000283588178 275736535 /nfs/dbraw/zinc/73/65/35/275736535.db2.gz LQJVMKZOPYGXKS-UHFFFAOYSA-N 0 0 326.343 3.421 10 5 EGBERN CCc1ccc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c(OC)c1 ZINC000286519978 276011208 /nfs/dbraw/zinc/01/12/08/276011208.db2.gz ODDURUIGVZPOII-UHFFFAOYSA-N 0 0 346.339 3.448 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000115227680 276064479 /nfs/dbraw/zinc/06/44/79/276064479.db2.gz GLXIFYVAQUKBRQ-LLVKDONJSA-N 0 0 344.327 3.121 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1cc[nH]n1 ZINC000287269741 276102980 /nfs/dbraw/zinc/10/29/80/276102980.db2.gz YGEJXVORJBUDQM-ZDUSSCGKSA-N 0 0 326.312 3.041 10 5 EGBERN CC1(C)CC[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000362596014 276114307 /nfs/dbraw/zinc/11/43/07/276114307.db2.gz JBEQXOPKZISLPV-ZFWWWQNUSA-N 0 0 336.413 3.126 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1cc(OC)ccc1OC ZINC000288078992 276181116 /nfs/dbraw/zinc/18/11/16/276181116.db2.gz HPIPCMRFCBMMFO-SNVBAGLBSA-N 0 0 334.376 3.310 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000288773429 276251287 /nfs/dbraw/zinc/25/12/87/276251287.db2.gz DQUFJGXEYMSQCB-SWLSCSKDSA-N 0 0 330.388 3.086 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000289130750 276294754 /nfs/dbraw/zinc/29/47/54/276294754.db2.gz RMJOVKZMHJDQJB-ZDUSSCGKSA-N 0 0 329.360 3.372 10 5 EGBERN Cc1nc(CN(C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 ZINC000289300617 276318463 /nfs/dbraw/zinc/31/84/63/276318463.db2.gz BKMONKUYHUEHRA-UHFFFAOYSA-N 0 0 331.159 3.225 10 5 EGBERN COCCC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000289379055 276330276 /nfs/dbraw/zinc/33/02/76/276330276.db2.gz CELARWNRAQXZBV-UHFFFAOYSA-N 0 0 329.400 3.337 10 5 EGBERN CC(C)(CCc1noc([C@@H]2Cc3cc(Cl)ccc3O2)n1)[N+](=O)[O-] ZINC000291023758 276576613 /nfs/dbraw/zinc/57/66/13/276576613.db2.gz DACCACFMJVPJOY-LBPRGKRZSA-N 0 0 337.763 3.387 10 5 EGBERN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000249207500 277139014 /nfs/dbraw/zinc/13/90/14/277139014.db2.gz BVADKHRYRXAPHZ-DGCLKSJQSA-N 0 0 340.355 3.187 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000072203786 277203885 /nfs/dbraw/zinc/20/38/85/277203885.db2.gz PTKJKTUAPMZJNT-STQMWFEESA-N 0 0 336.392 3.238 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000367446539 278026633 /nfs/dbraw/zinc/02/66/33/278026633.db2.gz FRGWNZDSPDIGLR-GOSISDBHSA-N 0 0 332.400 3.361 10 5 EGBERN Cc1ccc(OC2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)nc1 ZINC000182584744 278836662 /nfs/dbraw/zinc/83/66/62/278836662.db2.gz RUDBSTPTYPJHSK-UHFFFAOYSA-N 0 0 328.372 3.049 10 5 EGBERN Cc1cnn([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC000112080736 279035123 /nfs/dbraw/zinc/03/51/23/279035123.db2.gz LZQCKVPUVJACBG-AWEZNQCLSA-N 0 0 337.383 3.489 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C(=O)c1ccc(Cl)cc1 ZINC000348965607 280023099 /nfs/dbraw/zinc/02/30/99/280023099.db2.gz NGHLXLOHSNXJGZ-JTQLQIEISA-N 0 0 344.754 3.409 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000189941432 281283613 /nfs/dbraw/zinc/28/36/13/281283613.db2.gz ISDHETXJGPRWLS-INIZCTEOSA-N 0 0 326.352 3.465 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173588607 281740357 /nfs/dbraw/zinc/74/03/57/281740357.db2.gz AOKVRRDKZXMTBL-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)[C@H]1C ZINC000357539373 300193160 /nfs/dbraw/zinc/19/31/60/300193160.db2.gz PNEBZRMGNIAMSJ-RDBSUJKOSA-N 0 0 331.416 3.312 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359190861 301013752 /nfs/dbraw/zinc/01/37/52/301013752.db2.gz FENQJYYUOAEQFI-MLGOLLRUSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184944943 301837795 /nfs/dbraw/zinc/83/77/95/301837795.db2.gz RZCBEPWTOSURJW-IINYFYTJSA-N 0 0 344.371 3.087 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000408172503 302045932 /nfs/dbraw/zinc/04/59/32/302045932.db2.gz XEPLOGYUGSAJFV-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN COc1cc(NC[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000413537788 309036365 /nfs/dbraw/zinc/03/63/65/309036365.db2.gz HJIUUAXICMNUJS-LLVKDONJSA-N 0 0 338.310 3.070 10 5 EGBERN CC(C)[C@@H]1N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCOCC2 ZINC000413561521 309037535 /nfs/dbraw/zinc/03/75/35/309037535.db2.gz ZQGCYGJNHCOYLQ-HNNXBMFYSA-N 0 0 330.388 3.113 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122770401 307532896 /nfs/dbraw/zinc/53/28/96/307532896.db2.gz JJRWUDDZICZARY-GXTWGEPZSA-N 0 0 339.417 3.399 10 5 EGBERN CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000128354624 307598882 /nfs/dbraw/zinc/59/88/82/307598882.db2.gz ZKXLWMWGYLTMIF-UHFFFAOYSA-N 0 0 342.277 3.472 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000134134415 307681962 /nfs/dbraw/zinc/68/19/62/307681962.db2.gz ACRMEAYKSGERJB-JTQLQIEISA-N 0 0 342.380 3.399 10 5 EGBERN COc1ccc(-c2nc(COc3cc(F)cc([N+](=O)[O-])c3)no2)cc1 ZINC000135354883 307701391 /nfs/dbraw/zinc/70/13/91/307701391.db2.gz WDLCPXVXOBVESS-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccc(C(F)(F)F)cc2)c1=O ZINC000155859907 307822467 /nfs/dbraw/zinc/82/24/67/307822467.db2.gz GKRRBIPAYXLGRF-UHFFFAOYSA-N 0 0 342.273 3.163 10 5 EGBERN Cc1cc(N(C)Cc2cnccn2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293001268 308088865 /nfs/dbraw/zinc/08/88/65/308088865.db2.gz HIXVGPDRNBOURG-UHFFFAOYSA-N 0 0 326.278 3.348 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414472000 309082464 /nfs/dbraw/zinc/08/24/64/309082464.db2.gz NBORHVBCHLRYIZ-SUMWQHHRSA-N 0 0 346.408 3.340 10 5 EGBERN CC[C@H](NC(=O)NCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000293541798 308140173 /nfs/dbraw/zinc/14/01/73/308140173.db2.gz UTLRTPGGVJZXCT-ZDUSSCGKSA-N 0 0 327.331 3.390 10 5 EGBERN C[C@@]1(F)CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000294936441 308273634 /nfs/dbraw/zinc/27/36/34/308273634.db2.gz LDKPIXQTRDCQLN-QGZVFWFLSA-N 0 0 335.379 3.159 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000295001162 308280451 /nfs/dbraw/zinc/28/04/51/308280451.db2.gz BXYINWMJIOBUSI-XHDPSFHLSA-N 0 0 348.790 3.168 10 5 EGBERN CC(C)c1ccc(CN2CC(CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000414549306 309088181 /nfs/dbraw/zinc/08/81/81/309088181.db2.gz LAPKXSMHJNKGDD-UHFFFAOYSA-N 0 0 340.423 3.464 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(C(C)(C)C)on1 ZINC000295787610 308359954 /nfs/dbraw/zinc/35/99/54/308359954.db2.gz RIDDVCIYFHAYOE-UHFFFAOYSA-N 0 0 343.181 3.196 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000296093291 308392764 /nfs/dbraw/zinc/39/27/64/308392764.db2.gz MHOANIJFNVYJCS-GHMZBOCLSA-N 0 0 346.305 3.163 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296136607 308397156 /nfs/dbraw/zinc/39/71/56/308397156.db2.gz CLTJSJXKUYJKNQ-JQWIXIFHSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1cccnc1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000296577880 308442976 /nfs/dbraw/zinc/44/29/76/308442976.db2.gz JBVYRIOZQUBMMB-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN Cc1cc(N2CCC(c3nnc4ccccn43)CC2)ccc1[N+](=O)[O-] ZINC000301109563 308688527 /nfs/dbraw/zinc/68/85/27/308688527.db2.gz SRKPJNOBXZTYFY-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCCN1c1ccccc1 ZINC000301260098 308693844 /nfs/dbraw/zinc/69/38/44/308693844.db2.gz FWKVFMAHPKNAEA-AWEZNQCLSA-N 0 0 346.774 3.251 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ccc3c(c2)OCO3)c1 ZINC000301445871 308700686 /nfs/dbraw/zinc/70/06/86/308700686.db2.gz PTIGRZCAVRLDGU-UHFFFAOYSA-N 0 0 334.303 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000301556415 308705118 /nfs/dbraw/zinc/70/51/18/308705118.db2.gz IRHFGQXPAHYUJW-INIZCTEOSA-N 0 0 343.358 3.284 10 5 EGBERN Cc1cc(N[C@@H](c2nnc3ccccn32)C(C)C)ncc1[N+](=O)[O-] ZINC000301692795 308711141 /nfs/dbraw/zinc/71/11/41/308711141.db2.gz ZGWWNPWBOBIWIZ-OAHLLOKOSA-N 0 0 326.360 3.150 10 5 EGBERN Cc1cccc([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000301697671 308711416 /nfs/dbraw/zinc/71/14/16/308711416.db2.gz QRKFWVPIIWSIDL-LBPRGKRZSA-N 0 0 341.367 3.450 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000301739921 308713289 /nfs/dbraw/zinc/71/32/89/308713289.db2.gz XDBPEKZIEVCCRL-GOSISDBHSA-N 0 0 342.351 3.081 10 5 EGBERN CCc1nn(C)c(N(C)Cc2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC000301930876 308722133 /nfs/dbraw/zinc/72/21/33/308722133.db2.gz LEZRPBXHEKBCNR-UHFFFAOYSA-N 0 0 326.759 3.320 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccccc4Cl)CC3)nn21 ZINC000301969778 308723514 /nfs/dbraw/zinc/72/35/14/308723514.db2.gz QUBQQMJBUJYDJC-UHFFFAOYSA-N 0 0 343.774 3.435 10 5 EGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)n1 ZINC000301996469 308724591 /nfs/dbraw/zinc/72/45/91/308724591.db2.gz PXBCBPDSGXMYFV-LBPRGKRZSA-N 0 0 346.412 3.215 10 5 EGBERN C[C@H]1CCOCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302002353 308724744 /nfs/dbraw/zinc/72/47/44/308724744.db2.gz SQPOHJHLHDOSSI-AWEZNQCLSA-N 0 0 340.379 3.441 10 5 EGBERN CC(=O)N[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302023133 308725510 /nfs/dbraw/zinc/72/55/10/308725510.db2.gz JFVQOKKUHIJBSR-SECBINFHSA-N 0 0 332.187 3.007 10 5 EGBERN COC(=O)c1cc(NCc2ccc(Cl)cn2)cc(C)c1[N+](=O)[O-] ZINC000302034253 308726149 /nfs/dbraw/zinc/72/61/49/308726149.db2.gz TZPNLOGELKRUCT-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOC2=O)cc1 ZINC000302064114 308727765 /nfs/dbraw/zinc/72/77/65/308727765.db2.gz DKVASJULYMIEIZ-UHFFFAOYSA-N 0 0 327.340 3.472 10 5 EGBERN CNC(=O)c1ccc(N(C)Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000302654622 308741275 /nfs/dbraw/zinc/74/12/75/308741275.db2.gz COCRVTWIXIUJKA-UHFFFAOYSA-N 0 0 331.347 3.038 10 5 EGBERN CCCOc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000302672453 308741609 /nfs/dbraw/zinc/74/16/09/308741609.db2.gz LAOUSJNAAIKWQP-UHFFFAOYSA-N 0 0 341.371 3.347 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302720772 308743066 /nfs/dbraw/zinc/74/30/66/308743066.db2.gz ZUVDRGBARPJRJP-LBPRGKRZSA-N 0 0 339.823 3.442 10 5 EGBERN CCOc1ccccc1N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302844000 308747833 /nfs/dbraw/zinc/74/78/33/308747833.db2.gz FMGLZKRLZDOGPK-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000331138330 308802339 /nfs/dbraw/zinc/80/23/39/308802339.db2.gz WJEZWXWDCFVRGC-SNVBAGLBSA-N 0 0 326.343 3.310 10 5 EGBERN COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411910765 308957463 /nfs/dbraw/zinc/95/74/63/308957463.db2.gz VHOABJUPCFFFCR-RCCFBDPRSA-N 0 0 340.379 3.202 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412336616 308981710 /nfs/dbraw/zinc/98/17/10/308981710.db2.gz IVKUCXBYWXPEKP-JKSUJKDBSA-N 0 0 338.367 3.080 10 5 EGBERN CCn1nncc1CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000413004200 309011608 /nfs/dbraw/zinc/01/16/08/309011608.db2.gz YYBINTYLEGXPFT-UHFFFAOYSA-N 0 0 343.206 3.261 10 5 EGBERN COc1ccc(OC)c(CN(c2ncc([N+](=O)[O-])cc2F)C2CC2)c1 ZINC000413052499 309013548 /nfs/dbraw/zinc/01/35/48/309013548.db2.gz YQBBWJGXJPVZEA-UHFFFAOYSA-N 0 0 347.346 3.315 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000413195896 309020918 /nfs/dbraw/zinc/02/09/18/309020918.db2.gz NOQKPAZLLRGVSE-SSDOTTSWSA-N 0 0 329.282 3.083 10 5 EGBERN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000413475948 309033697 /nfs/dbraw/zinc/03/36/97/309033697.db2.gz DFWCJGQKYIZRDX-KSSFIOAISA-N 0 0 326.327 3.369 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](C3CCC3)C2)c(C(F)(F)F)c1 ZINC000413482841 309033931 /nfs/dbraw/zinc/03/39/31/309033931.db2.gz WGHMKISPRPXIRO-GFCCVEGCSA-N 0 0 331.294 3.014 10 5 EGBERN CCOc1cc(CSCc2cn(CC3CC3)nn2)ccc1[N+](=O)[O-] ZINC000419588399 309270134 /nfs/dbraw/zinc/27/01/34/309270134.db2.gz RASPHSRBCUNMGL-UHFFFAOYSA-N 0 0 348.428 3.428 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC12CCSCC2 ZINC000420867827 309298592 /nfs/dbraw/zinc/29/85/92/309298592.db2.gz ZAYOVNCKSDUHGX-CQSZACIVSA-N 0 0 349.456 3.270 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000421129575 309314670 /nfs/dbraw/zinc/31/46/70/309314670.db2.gz YBEORMQESVGICE-YPMHNXCESA-N 0 0 337.376 3.073 10 5 EGBERN O=C([C@@H]1CC12CC2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000421433841 309324511 /nfs/dbraw/zinc/32/45/11/309324511.db2.gz SIWTZMXMVOBMTC-NSHDSACASA-N 0 0 328.290 3.286 10 5 EGBERN Cc1c(NC(=O)[C@H]2CC23CC3)cc(Br)cc1[N+](=O)[O-] ZINC000421543329 309329090 /nfs/dbraw/zinc/32/90/90/309329090.db2.gz XPPUOJHBMUMRPT-SECBINFHSA-N 0 0 325.162 3.404 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC12CCSCC2 ZINC000421597905 309331329 /nfs/dbraw/zinc/33/13/29/309331329.db2.gz XSVNYDBTRJVBEM-CYBMUJFWSA-N 0 0 334.441 3.475 10 5 EGBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000424986380 309461086 /nfs/dbraw/zinc/46/10/86/309461086.db2.gz XNLKPFDSYLXLAE-FAJBIJEISA-N 0 0 340.354 3.452 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000425027960 309462649 /nfs/dbraw/zinc/46/26/49/309462649.db2.gz FNNVFEGSVAMKSE-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)o1 ZINC000425256929 309470318 /nfs/dbraw/zinc/47/03/18/309470318.db2.gz SIMLTUOYNGISEV-UHFFFAOYSA-N 0 0 344.371 3.048 10 5 EGBERN COc1cccc(F)c1[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428002574 309540332 /nfs/dbraw/zinc/54/03/32/309540332.db2.gz YFVDGYSLGBYJNH-VIFPVBQESA-N 0 0 330.319 3.214 10 5 EGBERN COc1ccc(C(=O)N(C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000428219997 309544890 /nfs/dbraw/zinc/54/48/90/309544890.db2.gz ZLECODIJSHPUBT-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000431118100 309626197 /nfs/dbraw/zinc/62/61/97/309626197.db2.gz DBKLSIOOSVUKLK-JKSUJKDBSA-N 0 0 325.368 3.292 10 5 EGBERN Cn1nc2c(c1CNc1ccnc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000432156109 309653584 /nfs/dbraw/zinc/65/35/84/309653584.db2.gz UMEHLXKEPISTQH-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000432312605 309656954 /nfs/dbraw/zinc/65/69/54/309656954.db2.gz OWGWZBKRGFDAJV-ZDUSSCGKSA-N 0 0 338.429 3.165 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)cc1C ZINC000432320270 309657215 /nfs/dbraw/zinc/65/72/15/309657215.db2.gz NFEPHBFURNPBAS-CYBMUJFWSA-N 0 0 338.429 3.165 10 5 EGBERN CCc1nc(C)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000432642233 309665361 /nfs/dbraw/zinc/66/53/61/309665361.db2.gz LGRNQVLCHIKWRC-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CNc1c(C(=O)N2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000434295357 309708539 /nfs/dbraw/zinc/70/85/39/309708539.db2.gz LCDWXMCTYFQGKY-SECBINFHSA-N 0 0 331.294 3.051 10 5 EGBERN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000434331935 309709182 /nfs/dbraw/zinc/70/91/82/309709182.db2.gz DPJHYWMSSACOOE-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN O=[N+]([O-])c1cn(CCCc2nc(-c3cccs3)no2)nc1C1CC1 ZINC000436192692 309749125 /nfs/dbraw/zinc/74/91/25/309749125.db2.gz FQDMKAMHMSOMJZ-UHFFFAOYSA-N 0 0 345.384 3.413 10 5 EGBERN COC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000437386874 309791757 /nfs/dbraw/zinc/79/17/57/309791757.db2.gz GRGZWZGRJXMBCX-MRXNPFEDSA-N 0 0 332.331 3.160 10 5 EGBERN CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443759553 309907770 /nfs/dbraw/zinc/90/77/70/309907770.db2.gz PLFQSUGZYQQPLJ-CABCVRRESA-N 0 0 340.445 3.229 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@H](C)O1 ZINC000446614439 309964757 /nfs/dbraw/zinc/96/47/57/309964757.db2.gz VYNDQAZTXAQTCW-UTUOFQBUSA-N 0 0 338.379 3.036 10 5 EGBERN C[C@]1(c2ccccc2)CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000446852154 309969566 /nfs/dbraw/zinc/96/95/66/309969566.db2.gz MQQHYOSCRLFHRJ-INIZCTEOSA-N 0 0 328.397 3.472 10 5 EGBERN CO[C@H](c1ccccc1F)[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447696954 309985940 /nfs/dbraw/zinc/98/59/40/309985940.db2.gz VJKCZTKJWPYHNR-QFYYESIMSA-N 0 0 344.346 3.220 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cnc(C)s1 ZINC000447811488 309989339 /nfs/dbraw/zinc/98/93/39/309989339.db2.gz NXWKDDVOQYKCTR-UHFFFAOYSA-N 0 0 341.776 3.412 10 5 EGBERN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000448398047 310003688 /nfs/dbraw/zinc/00/36/88/310003688.db2.gz ZEIOQQYJBJARTG-KXUCPTDWSA-N 0 0 346.305 3.252 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449741605 310083532 /nfs/dbraw/zinc/08/35/32/310083532.db2.gz LEZYLQTYYQKYCC-XIRDDKMYSA-N 0 0 326.400 3.053 10 5 EGBERN CC[C@@H](NC(=O)[C@H](Cc1ccccc1)OC)c1cccc([N+](=O)[O-])c1 ZINC000450052188 310100789 /nfs/dbraw/zinc/10/07/89/310100789.db2.gz KROOPNUNJMWECE-MSOLQXFVSA-N 0 0 342.395 3.420 10 5 EGBERN Cc1nc(N2CCC(OC3CCC(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450324172 310115416 /nfs/dbraw/zinc/11/54/16/310115416.db2.gz MVMAIAIJXVGFJC-UHFFFAOYSA-N 0 0 334.420 3.257 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000450657640 310135546 /nfs/dbraw/zinc/13/55/46/310135546.db2.gz LWALNSCJKIDZCY-MAUKXSAKSA-N 0 0 330.359 3.208 10 5 EGBERN CC[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000450664742 310136102 /nfs/dbraw/zinc/13/61/02/310136102.db2.gz ZPCOWKGKLHZOKD-CABCVRRESA-N 0 0 327.384 3.254 10 5 EGBERN CC(=O)c1cc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000450679850 310136798 /nfs/dbraw/zinc/13/67/98/310136798.db2.gz KBHSSWXHEXEWFO-KYJSFNMBSA-N 0 0 332.400 3.317 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2CCOC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000450712755 310138853 /nfs/dbraw/zinc/13/88/53/310138853.db2.gz FIOUCBGRJDNWGT-CYBMUJFWSA-N 0 0 348.399 3.451 10 5 EGBERN O=[N+]([O-])c1cc2cnn(Cc3nnc(C4CC4)s3)c2c(Cl)c1 ZINC000450905944 310149158 /nfs/dbraw/zinc/14/91/58/310149158.db2.gz OWSLFEYWRHXKSY-UHFFFAOYSA-N 0 0 335.776 3.375 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(C)(CC(F)(F)F)C2)c1 ZINC000450959082 310152091 /nfs/dbraw/zinc/15/20/91/310152091.db2.gz XDFLZIKWGQTGFA-UHFFFAOYSA-N 0 0 332.278 3.160 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352328 310173705 /nfs/dbraw/zinc/17/37/05/310173705.db2.gz KQZKXTVATXFJFR-VUCTXSBTSA-N 0 0 340.370 3.389 10 5 EGBERN O=C(NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000452210540 310218894 /nfs/dbraw/zinc/21/88/94/310218894.db2.gz VXXJJPSIDGKQGF-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452584332 310233191 /nfs/dbraw/zinc/23/31/91/310233191.db2.gz HMYPBFOGRUWKLL-KSZLIROESA-N 0 0 346.427 3.070 10 5 EGBERN CO[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000452761183 310240983 /nfs/dbraw/zinc/24/09/83/310240983.db2.gz AEBWQXJJCBCKRK-SFHVURJKSA-N 0 0 328.368 3.195 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000452834582 310244547 /nfs/dbraw/zinc/24/45/47/310244547.db2.gz BMZSYXQGRBGNEC-RHSMWYFYSA-N 0 0 339.395 3.500 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000452861516 310246176 /nfs/dbraw/zinc/24/61/76/310246176.db2.gz YHKXSCASCWSTDI-DOTOQJQBSA-N 0 0 334.416 3.095 10 5 EGBERN Cc1c(-c2noc(-c3cnn4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000453267367 310268261 /nfs/dbraw/zinc/26/82/61/310268261.db2.gz YLKPCSUFCLSYIJ-UHFFFAOYSA-N 0 0 325.328 3.153 10 5 EGBERN COc1c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000456142083 310390395 /nfs/dbraw/zinc/39/03/95/310390395.db2.gz ZSCFAWWWEYXVPS-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(CO)oc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456162105 310391336 /nfs/dbraw/zinc/39/13/36/310391336.db2.gz KATZFZVVTRXLGA-UHFFFAOYSA-N 0 0 333.344 3.061 10 5 EGBERN CN1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000456596008 310414100 /nfs/dbraw/zinc/41/41/00/310414100.db2.gz NJIDYTJLYOERJG-INIZCTEOSA-N 0 0 339.395 3.225 10 5 EGBERN CC[C@H](NC(=O)N1CC(F)(F)C(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000458525165 310508221 /nfs/dbraw/zinc/50/82/21/310508221.db2.gz XAAMYZDPVVPLFG-NSHDSACASA-N 0 0 349.284 3.342 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 ZINC000461879226 310593208 /nfs/dbraw/zinc/59/32/08/310593208.db2.gz ACLIYMYABGZOTM-CQSZACIVSA-N 0 0 331.347 3.411 10 5 EGBERN COC(=O)[C@@](C)(NCc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000463458372 310613094 /nfs/dbraw/zinc/61/30/94/310613094.db2.gz XFMIIRHLOUCOKI-SFHVURJKSA-N 0 0 346.358 3.220 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000463891193 310616162 /nfs/dbraw/zinc/61/61/62/310616162.db2.gz IIIDKUZKSLBQPE-AWEZNQCLSA-N 0 0 335.404 3.269 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)C(C)(C)COCC(F)F)cc1[N+](=O)[O-] ZINC000469186700 310701183 /nfs/dbraw/zinc/70/11/83/310701183.db2.gz KWQWKXXDZKBOMN-NSHDSACASA-N 0 0 344.358 3.388 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000472124858 310759505 /nfs/dbraw/zinc/75/95/05/310759505.db2.gz VGPKEJQQTUIYFG-GXFFZTMASA-N 0 0 345.321 3.120 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000472124860 310759541 /nfs/dbraw/zinc/75/95/41/310759541.db2.gz VGPKEJQQTUIYFG-ZWNOBZJWSA-N 0 0 345.321 3.120 10 5 EGBERN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cn(C)nc1OC ZINC000474087183 310785104 /nfs/dbraw/zinc/78/51/04/310785104.db2.gz FVVZSNAFNQPBTF-NSHDSACASA-N 0 0 336.417 3.320 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000479408807 310874347 /nfs/dbraw/zinc/87/43/47/310874347.db2.gz MTTVLVUDRHGAOF-HDJSIYSDSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCCC[C@H]1C ZINC000481334747 310911039 /nfs/dbraw/zinc/91/10/39/310911039.db2.gz DTLWZJPIDBWYFQ-CYBMUJFWSA-N 0 0 326.418 3.165 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000486691721 310997259 /nfs/dbraw/zinc/99/72/59/310997259.db2.gz ZXMUVHITBAQRRO-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN COC(=O)c1cc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486857403 311000855 /nfs/dbraw/zinc/00/08/55/311000855.db2.gz KBRUPODVMVQBTR-QWRGUYRKSA-N 0 0 349.387 3.342 10 5 EGBERN O=c1c2ccccc2n(CCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000487877042 311041038 /nfs/dbraw/zinc/04/10/38/311041038.db2.gz SIBXLFYQJRCYQQ-UHFFFAOYSA-N 0 0 349.390 3.363 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccn(C2CCCC2)n1 ZINC000488093219 311051077 /nfs/dbraw/zinc/05/10/77/311051077.db2.gz WXQGPIFQFTUJES-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN COCCOc1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000488104040 311051491 /nfs/dbraw/zinc/05/14/91/311051491.db2.gz LUDMNGKPDXUHST-UHFFFAOYSA-N 0 0 339.351 3.334 10 5 EGBERN COc1cccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c1OC ZINC000488118377 311051849 /nfs/dbraw/zinc/05/18/49/311051849.db2.gz ASDVMWMGWALCIA-UHFFFAOYSA-N 0 0 339.351 3.194 10 5 EGBERN COc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488486810 311068222 /nfs/dbraw/zinc/06/82/22/311068222.db2.gz YMUIVKKKTWPVHO-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000488790516 311080125 /nfs/dbraw/zinc/08/01/25/311080125.db2.gz IPIOYPQZECTTHH-WDEREUQCSA-N 0 0 332.447 3.149 10 5 EGBERN COc1cccc2c1CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000489439870 311105924 /nfs/dbraw/zinc/10/59/24/311105924.db2.gz AQUXFRIGNQWGFY-UHFFFAOYSA-N 0 0 342.395 3.083 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1nc(-c2cccnc2)no1 ZINC000489858965 311123085 /nfs/dbraw/zinc/12/30/85/311123085.db2.gz MXHWHTPYMPUAQZ-LBPRGKRZSA-N 0 0 339.355 3.233 10 5 EGBERN O=[N+]([O-])c1cccc(CN(c2ncncc2Br)C2CC2)c1 ZINC000493845035 311438188 /nfs/dbraw/zinc/43/81/88/311438188.db2.gz OCCPEOJXZDUUOV-UHFFFAOYSA-N 0 0 349.188 3.316 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000501105148 311939014 /nfs/dbraw/zinc/93/90/14/311939014.db2.gz IANXUDCSUICFHJ-AULYBMBSSA-N 0 0 335.404 3.317 10 5 EGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1OC ZINC000504267732 312002430 /nfs/dbraw/zinc/00/24/30/312002430.db2.gz OPJFZZMGONIFCI-LLVKDONJSA-N 0 0 342.351 3.203 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1=Cc2ccccc2OC1 ZINC000504285664 312002836 /nfs/dbraw/zinc/00/28/36/312002836.db2.gz CMMNUIXEOMUQCA-LBPRGKRZSA-N 0 0 336.347 3.348 10 5 EGBERN COc1cccc(N2C[C@H](Nc3ccc([N+](=O)[O-])c(C)c3)CC2=O)c1 ZINC000506765545 312054101 /nfs/dbraw/zinc/05/41/01/312054101.db2.gz YLCCEBPKOIAPAI-CQSZACIVSA-N 0 0 341.367 3.129 10 5 EGBERN COC(=O)c1cccc(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000508344034 312093090 /nfs/dbraw/zinc/09/30/90/312093090.db2.gz PSNPSNNLLQPAPT-UHFFFAOYSA-N 0 0 348.330 3.184 10 5 EGBERN COc1cc(C)cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC000509208992 312111571 /nfs/dbraw/zinc/11/15/71/312111571.db2.gz OZKNEPZRSRFOAD-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1C ZINC000512153759 312177156 /nfs/dbraw/zinc/17/71/56/312177156.db2.gz KWBJLPVBDWAJEO-GFCCVEGCSA-N 0 0 326.418 3.110 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOCC12CCCCC2 ZINC000515132112 312267236 /nfs/dbraw/zinc/26/72/36/312267236.db2.gz LOHOERUSUXGZAZ-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN C[C@]1(c2ccccc2)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000515981260 312304185 /nfs/dbraw/zinc/30/41/85/312304185.db2.gz UCXPQXVEDWZXFB-GOSISDBHSA-N 0 0 338.367 3.223 10 5 EGBERN Cn1c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000518365356 312413843 /nfs/dbraw/zinc/41/38/43/312413843.db2.gz IUACMDNTZGRWPW-LBPRGKRZSA-N 0 0 333.775 3.216 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000523731609 312631568 /nfs/dbraw/zinc/63/15/68/312631568.db2.gz VQXJRHFAISIGTQ-CHWSQXEVSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000524708181 312673247 /nfs/dbraw/zinc/67/32/47/312673247.db2.gz CWGWAGFRLQNHLF-FZMZJTMJSA-N 0 0 331.372 3.448 10 5 EGBERN O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531881225 313725697 /nfs/dbraw/zinc/72/56/97/313725697.db2.gz CPPALSMNDWCETE-HOTGVXAUSA-N 0 0 325.368 3.446 10 5 EGBERN O=C(NCC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531887979 313726688 /nfs/dbraw/zinc/72/66/88/313726688.db2.gz PYTXAAGTSJREML-UHFFFAOYSA-N 0 0 325.368 3.232 10 5 EGBERN COc1ccc(Cl)c2c1N(C(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000532138546 313759893 /nfs/dbraw/zinc/75/98/93/313759893.db2.gz XDCQGKRZWPBVPZ-UHFFFAOYSA-N 0 0 347.758 3.245 10 5 EGBERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532387734 313792888 /nfs/dbraw/zinc/79/28/88/313792888.db2.gz CVFSAHPRFFNBCA-AWEZNQCLSA-N 0 0 329.356 3.335 10 5 EGBERN CCc1nc(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cs1 ZINC000532391773 313793630 /nfs/dbraw/zinc/79/36/30/313793630.db2.gz GZUQWOFJMKAIRG-UHFFFAOYSA-N 0 0 349.412 3.345 10 5 EGBERN Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)n1 ZINC000533856778 313939139 /nfs/dbraw/zinc/93/91/39/313939139.db2.gz AIAIWQQIPJIQDO-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000534307559 313969467 /nfs/dbraw/zinc/96/94/67/313969467.db2.gz FFRGHVJQTJZYOJ-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N(CC(F)F)CC1CCC1 ZINC000535624539 314057294 /nfs/dbraw/zinc/05/72/94/314057294.db2.gz WEGFWJUPOMFMNV-UHFFFAOYSA-N 0 0 327.331 3.172 10 5 EGBERN CC[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000535731270 314064715 /nfs/dbraw/zinc/06/47/15/314064715.db2.gz LHEVNSDRZXVXEC-ZANVPECISA-N 0 0 329.278 3.257 10 5 EGBERN CCc1ccc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000537137627 314163851 /nfs/dbraw/zinc/16/38/51/314163851.db2.gz ZJMIOMNAGKNOAZ-ZDUSSCGKSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538239787 314234304 /nfs/dbraw/zinc/23/43/04/314234304.db2.gz NQHFDWHQHMSBHY-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN Cc1ccc(CNc2cc(C)c(Br)cn2)cc1[N+](=O)[O-] ZINC000538594425 314257181 /nfs/dbraw/zinc/25/71/81/314257181.db2.gz ZRHCCXTUKQZIMR-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN C[C@@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000539293810 314304862 /nfs/dbraw/zinc/30/48/62/314304862.db2.gz UKMBUEWWNMYLFG-ACJLOTCBSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000539348294 314308368 /nfs/dbraw/zinc/30/83/68/314308368.db2.gz CPXOKNCDBBFRBU-SCLBCKFNSA-N 0 0 340.379 3.393 10 5 EGBERN COC1CCC(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000539876197 314347506 /nfs/dbraw/zinc/34/75/06/314347506.db2.gz ICHUYGFJGYQILH-UHFFFAOYSA-N 0 0 334.416 3.455 10 5 EGBERN C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000540435483 314380847 /nfs/dbraw/zinc/38/08/47/314380847.db2.gz RPSHLYWRBPKUQT-QLJPJBMISA-N 0 0 346.770 3.429 10 5 EGBERN COc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541769807 314487190 /nfs/dbraw/zinc/48/71/90/314487190.db2.gz OGMRIIMGHKTOQV-UHFFFAOYSA-N 0 0 341.411 3.234 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000542972543 314596213 /nfs/dbraw/zinc/59/62/13/314596213.db2.gz SRDCLEFTNMJKRS-WFASDCNBSA-N 0 0 336.388 3.387 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543337375 314621628 /nfs/dbraw/zinc/62/16/28/314621628.db2.gz HQJGHWRNRPXLOI-INIZCTEOSA-N 0 0 339.395 3.331 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543884327 314662148 /nfs/dbraw/zinc/66/21/48/314662148.db2.gz HRNJEQUIPXBBIN-CQSZACIVSA-N 0 0 341.367 3.282 10 5 EGBERN Cc1ccc(-c2nc(Cc3ccc4c(c3)OCO4)no2)cc1[N+](=O)[O-] ZINC000547010230 314869631 /nfs/dbraw/zinc/86/96/31/314869631.db2.gz VDWMVSCFBDICID-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN Cc1c(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cnn1C ZINC000548397257 315003698 /nfs/dbraw/zinc/00/36/98/315003698.db2.gz QYWVSXXWDHAXIP-UHFFFAOYSA-N 0 0 344.396 3.124 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC(c3ccccc3)C2)c1 ZINC000549254542 315083656 /nfs/dbraw/zinc/08/36/56/315083656.db2.gz DOXSXMSSYJYGMI-UHFFFAOYSA-N 0 0 346.408 3.067 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000549286371 315085702 /nfs/dbraw/zinc/08/57/02/315085702.db2.gz WGLKGMSRYXCLOO-KFWWJZLASA-N 0 0 336.779 3.275 10 5 EGBERN O=C(c1cc(Cc2ccccc2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550641563 315131140 /nfs/dbraw/zinc/13/11/40/315131140.db2.gz XUHAQWLYROFCCC-UHFFFAOYSA-N 0 0 348.362 3.112 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC(C)(C)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000552748567 315230948 /nfs/dbraw/zinc/23/09/48/315230948.db2.gz YTQILYARYWCEAZ-UHFFFAOYSA-N 0 0 336.388 3.326 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553229496 315251802 /nfs/dbraw/zinc/25/18/02/315251802.db2.gz WWVZDJFSIBZNKV-OIBJUYFYSA-N 0 0 342.277 3.021 10 5 EGBERN COC(=O)c1cc(C)nc(Sc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000553251948 315253481 /nfs/dbraw/zinc/25/34/81/315253481.db2.gz RMSWPJCAUBVKAN-UHFFFAOYSA-N 0 0 334.353 3.245 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000553343546 315259340 /nfs/dbraw/zinc/25/93/40/315259340.db2.gz SSQFBEDTJXOAET-HNNXBMFYSA-N 0 0 346.818 3.006 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(c1nc(C(F)(F)F)ns1)C2 ZINC000553480825 315265884 /nfs/dbraw/zinc/26/58/84/315265884.db2.gz APPIKLLNMXKIKX-UHFFFAOYSA-N 0 0 330.291 3.028 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])no1 ZINC000555139120 315368456 /nfs/dbraw/zinc/36/84/56/315368456.db2.gz DTYOBNAVYOZHMY-JTQLQIEISA-N 0 0 343.343 3.236 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](OC(F)F)C1 ZINC000555214829 315373196 /nfs/dbraw/zinc/37/31/96/315373196.db2.gz GAUAAPYHJYYALB-JTQLQIEISA-N 0 0 342.323 3.263 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3n[nH]nc3c2)no1 ZINC000555473624 315385886 /nfs/dbraw/zinc/38/58/86/315385886.db2.gz XZHDOEWUKZOIRA-CSKARUKUSA-N 0 0 348.322 3.477 10 5 EGBERN CCCCn1nnnc1CNc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556288634 315426798 /nfs/dbraw/zinc/42/67/98/315426798.db2.gz YZSXWAFUTUZIID-UHFFFAOYSA-N 0 0 332.408 3.291 10 5 EGBERN O=C(NC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000557559467 315518776 /nfs/dbraw/zinc/51/87/76/315518776.db2.gz QVXOLJUTRPXJER-UHFFFAOYSA-N 0 0 349.406 3.399 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000559002260 315614050 /nfs/dbraw/zinc/61/40/50/315614050.db2.gz VNXSNDNJUBYZRA-QZTJIDSGSA-N 0 0 325.368 3.291 10 5 EGBERN C[C@@H](C(=O)N1CC[C@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000559494801 315635879 /nfs/dbraw/zinc/63/58/79/315635879.db2.gz ACXGKFBAEXQONT-GHMZBOCLSA-N 0 0 330.306 3.499 10 5 EGBERN CC(=O)Nc1ccccc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000562330736 315819669 /nfs/dbraw/zinc/81/96/69/315819669.db2.gz DCLGPURTPWRHAK-UHFFFAOYSA-N 0 0 336.351 3.135 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)n1 ZINC000562372508 315824878 /nfs/dbraw/zinc/82/48/78/315824878.db2.gz DWCMXGJEUQJYEN-UHFFFAOYSA-N 0 0 343.343 3.328 10 5 EGBERN Cc1ccc([C@@H]2C[C@H]2NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000563171401 315969054 /nfs/dbraw/zinc/96/90/54/315969054.db2.gz RWXUCDVDOZYUOO-SUMWQHHRSA-N 0 0 346.333 3.396 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CCOCC1 ZINC000564128881 316115813 /nfs/dbraw/zinc/11/58/13/316115813.db2.gz CYAVRSHBTCRFKH-VIFPVBQESA-N 0 0 346.305 3.159 10 5 EGBERN COc1ccccc1CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564165782 316119167 /nfs/dbraw/zinc/11/91/67/316119167.db2.gz NUTQCKSZWMMPBA-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](OCC3CC3)C1)CCCC2 ZINC000564892960 316228114 /nfs/dbraw/zinc/22/81/14/316228114.db2.gz GTPXGLAGMRIEBG-HNNXBMFYSA-N 0 0 331.416 3.264 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cc1[N+](=O)[O-] ZINC000565122445 316270190 /nfs/dbraw/zinc/27/01/90/316270190.db2.gz OBJWHIHCALXHHO-GTNSWQLSSA-N 0 0 346.358 3.148 10 5 EGBERN CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000565319310 316308830 /nfs/dbraw/zinc/30/88/30/316308830.db2.gz OPZDNQJDDOWOAL-UHFFFAOYSA-N 0 0 345.321 3.251 10 5 EGBERN COCC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000567936639 316697512 /nfs/dbraw/zinc/69/75/12/316697512.db2.gz DWUSYYQPCBEHBJ-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN CO[C@H](COc1c(C)cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000569456284 316917593 /nfs/dbraw/zinc/91/75/93/316917593.db2.gz YLQUGNDDRTTYMO-GFCCVEGCSA-N 0 0 330.178 3.470 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000570563411 317074128 /nfs/dbraw/zinc/07/41/28/317074128.db2.gz GCLZVHNVVCSCNZ-GJZGRUSLSA-N 0 0 334.416 3.364 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC[C@H]1C1CC1 ZINC000570844962 317115785 /nfs/dbraw/zinc/11/57/85/317115785.db2.gz FZQXRBDKAXPPJW-KBPBESRZSA-N 0 0 342.399 3.304 10 5 EGBERN C[C@@H]1CC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000571171999 317161570 /nfs/dbraw/zinc/16/15/70/317161570.db2.gz HWVNOPRVRXVTFB-UWVGGRQHSA-N 0 0 326.343 3.356 10 5 EGBERN COc1ccc(CCNc2c(OC)cccc2[N+](=O)[O-])cc1OC ZINC000572800419 317393256 /nfs/dbraw/zinc/39/32/56/317393256.db2.gz YSOOPFDVDMGBHI-UHFFFAOYSA-N 0 0 332.356 3.275 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)nc2c1 ZINC000573317126 317467265 /nfs/dbraw/zinc/46/72/65/317467265.db2.gz FANSPZOJPAUJRF-ZIAGYGMSSA-N 0 0 349.394 3.044 10 5 EGBERN Cc1cc(NCCc2nccn2C)c(Br)cc1[N+](=O)[O-] ZINC000235891907 456153960 /nfs/dbraw/zinc/15/39/60/456153960.db2.gz LSGNIHOXVYYICO-UHFFFAOYSA-N 0 0 339.193 3.054 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3csc([N+](=O)[O-])c3)c21 ZINC000171345439 323230227 /nfs/dbraw/zinc/23/02/27/323230227.db2.gz FXJMJGCVSNSLFT-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C(C)C)cc1SC ZINC000172440690 323282216 /nfs/dbraw/zinc/28/22/16/323282216.db2.gz MUSWDRRSGGTBDR-JTQLQIEISA-N 0 0 326.418 3.347 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000350598104 324101137 /nfs/dbraw/zinc/10/11/37/324101137.db2.gz BDUGLXVDTWMKRC-MFKMUULPSA-N 0 0 342.355 3.190 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000350598103 324101222 /nfs/dbraw/zinc/10/12/22/324101222.db2.gz BDUGLXVDTWMKRC-GXFFZTMASA-N 0 0 342.355 3.190 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCOC3)no2)ccc1OC(F)F ZINC000350853780 324129237 /nfs/dbraw/zinc/12/92/37/324129237.db2.gz JTOHWBQWKIZBNH-SECBINFHSA-N 0 0 341.270 3.140 10 5 EGBERN Cc1nn(CC(C)C)c(C)c1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351153500 324183079 /nfs/dbraw/zinc/18/30/79/324183079.db2.gz YQKRHLLBLWPSOE-UHFFFAOYSA-N 0 0 345.359 3.298 10 5 EGBERN C[C@@H](CCOCc1ccccc1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000390369980 324282500 /nfs/dbraw/zinc/28/25/00/324282500.db2.gz VKBYYFKDIAOFKC-ZDUSSCGKSA-N 0 0 340.383 3.300 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000575881106 324500515 /nfs/dbraw/zinc/50/05/15/324500515.db2.gz GJPYUVNJFOMEHT-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN CN(CC(C)(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577319354 324784568 /nfs/dbraw/zinc/78/45/68/324784568.db2.gz OBKPLLMDUABMLW-UHFFFAOYSA-N 0 0 332.404 3.306 10 5 EGBERN C[C@H](C(=O)N1CCC2(CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000578817209 325021531 /nfs/dbraw/zinc/02/15/31/325021531.db2.gz OHBIKQDHJHLIFV-UONOGXRCSA-N 0 0 332.400 3.116 10 5 EGBERN C[C@H](C(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579345700 325097528 /nfs/dbraw/zinc/09/75/28/325097528.db2.gz JCYOCVOLRDNYLI-IWEFOYFVSA-N 0 0 328.343 3.452 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)ccc1[N+](=O)[O-] ZINC000579698062 325146555 /nfs/dbraw/zinc/14/65/55/325146555.db2.gz AFFZXWCGRPZXIU-JHJVBQTASA-N 0 0 329.356 3.481 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000579883904 325170882 /nfs/dbraw/zinc/17/08/82/325170882.db2.gz CXQKXBRMWUQRQK-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN O=C(NCC1(c2c(F)cccc2F)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000580414048 325247308 /nfs/dbraw/zinc/24/73/08/325247308.db2.gz FOVIHYVQQCLNQL-UHFFFAOYSA-N 0 0 347.321 3.120 10 5 EGBERN COc1cc(C(=O)Nc2cccc(C)c2C(C)=O)ccc1[N+](=O)[O-] ZINC000157680748 455220611 /nfs/dbraw/zinc/22/06/11/455220611.db2.gz WXBNTQKWMCHCTK-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](F)C1 ZINC000519175646 458922383 /nfs/dbraw/zinc/92/23/83/458922383.db2.gz XBOQAGXOTQDMKZ-VIFPVBQESA-N 0 0 346.156 3.323 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000264677067 455261582 /nfs/dbraw/zinc/26/15/82/455261582.db2.gz NRCUTZZBQGUEGS-LBPRGKRZSA-N 0 0 348.790 3.341 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000158039737 455262669 /nfs/dbraw/zinc/26/26/69/455262669.db2.gz NJPMUSSZDIWVCX-UHFFFAOYSA-N 0 0 334.759 3.116 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000600669983 460562425 /nfs/dbraw/zinc/56/24/25/460562425.db2.gz ZMODBOACKCFUTK-UHFFFAOYSA-N 0 0 332.381 3.125 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000173449052 455284880 /nfs/dbraw/zinc/28/48/80/455284880.db2.gz IBPGOZKAUHJFRP-JTQLQIEISA-N 0 0 336.373 3.140 10 5 EGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000181100813 455287248 /nfs/dbraw/zinc/28/72/48/455287248.db2.gz CLPMQWZRRUBAMZ-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1noc2ccc(C)cc12 ZINC000003007411 452739578 /nfs/dbraw/zinc/73/95/78/452739578.db2.gz FJQYKYKPGUJVBZ-UHFFFAOYSA-N 0 0 341.323 3.234 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000600709001 460574943 /nfs/dbraw/zinc/57/49/43/460574943.db2.gz MWXFBWJSRJOSBG-VIFPVBQESA-N 0 0 345.380 3.379 10 5 EGBERN CC(C)C(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000006837641 452996500 /nfs/dbraw/zinc/99/65/00/452996500.db2.gz BVORCUYENWEPBT-UHFFFAOYSA-N 0 0 338.414 3.333 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCCC2(CC2)CC1 ZINC000600769368 460595881 /nfs/dbraw/zinc/59/58/81/460595881.db2.gz UDTBTLVXGDVYAN-UHFFFAOYSA-N 0 0 340.383 3.391 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012639722 453387990 /nfs/dbraw/zinc/38/79/90/453387990.db2.gz CHOOCQPBPLAXCI-HNNXBMFYSA-N 0 0 333.727 3.295 10 5 EGBERN Cc1ccc(C)c(OC[C@@H](O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000012793070 453406915 /nfs/dbraw/zinc/40/69/15/453406915.db2.gz LYSIHGVACQDRSC-INIZCTEOSA-N 0 0 341.367 3.001 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000612335109 460598757 /nfs/dbraw/zinc/59/87/57/460598757.db2.gz HXKWLSLCVLLBNJ-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN C[C@@H](C(=O)N1CC[C@@H](c2ccc(O)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600776742 460600085 /nfs/dbraw/zinc/60/00/85/460600085.db2.gz RMVDJIAUPKJPMY-CZUORRHYSA-N 0 0 340.379 3.420 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000014206848 453519220 /nfs/dbraw/zinc/51/92/20/453519220.db2.gz YOMOLMORWZKVEJ-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000014888189 453546166 /nfs/dbraw/zinc/54/61/66/453546166.db2.gz HLIHWJKKTWHPOD-UHFFFAOYSA-N 0 0 329.356 3.440 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000015132874 453558346 /nfs/dbraw/zinc/55/83/46/453558346.db2.gz IMVBMENYFQFMSO-SECBINFHSA-N 0 0 336.369 3.165 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000600807088 460611444 /nfs/dbraw/zinc/61/14/44/460611444.db2.gz UTLFDTGPLRKHNY-JDGPPOGSSA-N 0 0 332.356 3.142 10 5 EGBERN Cc1ccc(O[C@H](C)C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000021450274 453677358 /nfs/dbraw/zinc/67/73/58/453677358.db2.gz YYMRNAREKYOPGT-CYBMUJFWSA-N 0 0 341.367 3.045 10 5 EGBERN Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000021588838 453678026 /nfs/dbraw/zinc/67/80/26/453678026.db2.gz QIAXKFBTKGVRBH-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1nc2ccccc2s1 ZINC000026908343 453807969 /nfs/dbraw/zinc/80/79/69/453807969.db2.gz BVWWXFHPNIPQFJ-UHFFFAOYSA-N 0 0 330.369 3.210 10 5 EGBERN CCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000029284564 453827990 /nfs/dbraw/zinc/82/79/90/453827990.db2.gz JKQKQBXHTVDAAF-UHFFFAOYSA-N 0 0 334.397 3.431 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC(C)C ZINC000030493877 453835988 /nfs/dbraw/zinc/83/59/88/453835988.db2.gz CXGOFSHSFFTOOC-GFCCVEGCSA-N 0 0 344.433 3.097 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000052720443 453842672 /nfs/dbraw/zinc/84/26/72/453842672.db2.gz YVIWDKWOVZMUDF-SNVBAGLBSA-N 0 0 338.360 3.311 10 5 EGBERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066512885 453849336 /nfs/dbraw/zinc/84/93/36/453849336.db2.gz CIDIIRODHYLITI-CQSZACIVSA-N 0 0 330.340 3.180 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000066689136 453862314 /nfs/dbraw/zinc/86/23/14/453862314.db2.gz IBQXUGXIZQSUTI-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075129742 453864739 /nfs/dbraw/zinc/86/47/39/453864739.db2.gz JXIRBMHJPACULU-OAHLLOKOSA-N 0 0 328.796 3.165 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCCNc1ccc(C(F)(F)F)cn1 ZINC000066808483 453875869 /nfs/dbraw/zinc/87/58/69/453875869.db2.gz RGURATZSDNDUQW-UHFFFAOYSA-N 0 0 341.293 3.318 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000067031720 453895505 /nfs/dbraw/zinc/89/55/05/453895505.db2.gz UMQZFSODQTXVKR-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000067047157 453896981 /nfs/dbraw/zinc/89/69/81/453896981.db2.gz OJCIFLVRELWFLP-SNVBAGLBSA-N 0 0 335.360 3.210 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000042180193 453999362 /nfs/dbraw/zinc/99/93/62/453999362.db2.gz CLMTUWDPZVDHFK-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN Cc1ccc(CCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000068185977 454006176 /nfs/dbraw/zinc/00/61/76/454006176.db2.gz BHOOYLLBAYJXBF-UHFFFAOYSA-N 0 0 328.368 3.031 10 5 EGBERN CSc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000055746593 454011505 /nfs/dbraw/zinc/01/15/05/454011505.db2.gz YITBPUZZOJNIIX-UHFFFAOYSA-N 0 0 332.381 3.012 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000056108727 454038748 /nfs/dbraw/zinc/03/87/48/454038748.db2.gz NDQOOQRUGXZTAO-JTQLQIEISA-N 0 0 340.426 3.313 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056124731 454038894 /nfs/dbraw/zinc/03/88/94/454038894.db2.gz SZEFQLZDSZYYOR-UHFFFAOYSA-N 0 0 340.788 3.035 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000086167959 454042736 /nfs/dbraw/zinc/04/27/36/454042736.db2.gz HZPIUVURTGEGSE-CYBMUJFWSA-N 0 0 339.351 3.276 10 5 EGBERN Cc1ccn2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000056546273 454066239 /nfs/dbraw/zinc/06/62/39/454066239.db2.gz HFSRSQDMQSSAJV-UHFFFAOYSA-N 0 0 339.355 3.181 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087313260 454076466 /nfs/dbraw/zinc/07/64/66/454076466.db2.gz NSSSFRYZIIIPHD-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000077305060 454087711 /nfs/dbraw/zinc/08/77/11/454087711.db2.gz VMTVLIRAZWNIFH-MRXNPFEDSA-N 0 0 326.352 3.004 10 5 EGBERN CCOc1ccc(C(=O)N2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000088265531 454097012 /nfs/dbraw/zinc/09/70/12/454097012.db2.gz KLLPYYJSXXRFTN-UHFFFAOYSA-N 0 0 346.314 3.172 10 5 EGBERN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000044653359 454112300 /nfs/dbraw/zinc/11/23/00/454112300.db2.gz CTMDPNMOLVNDMN-QMMMGPOBSA-N 0 0 346.293 3.240 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000190901942 455401692 /nfs/dbraw/zinc/40/16/92/455401692.db2.gz WHVPYHCSNRTLJU-UHFFFAOYSA-N 0 0 343.343 3.218 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(C)cs1 ZINC000069611480 454124081 /nfs/dbraw/zinc/12/40/81/454124081.db2.gz FUNULFCXICLCQQ-SECBINFHSA-N 0 0 336.373 3.251 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000159804024 455404669 /nfs/dbraw/zinc/40/46/69/455404669.db2.gz DBVFBQJBUINART-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN COC(=O)c1oc([C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000089267223 454132052 /nfs/dbraw/zinc/13/20/52/454132052.db2.gz AJOBZVUPCNBABT-LBPRGKRZSA-N 0 0 344.367 3.402 10 5 EGBERN O=C(Cn1nccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCCCC1 ZINC000057507552 454133170 /nfs/dbraw/zinc/13/31/70/454133170.db2.gz SHRRUHQXOJLJSF-SFHVURJKSA-N 0 0 342.399 3.229 10 5 EGBERN Cc1csc(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000069709626 454136028 /nfs/dbraw/zinc/13/60/28/454136028.db2.gz UJPQYPRTLFVWCW-UHFFFAOYSA-N 0 0 345.424 3.308 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(c3nnc4ccccn43)CC2)cs1 ZINC000069816479 454148438 /nfs/dbraw/zinc/14/84/38/454148438.db2.gz OCMHPKAXWBEXDW-UHFFFAOYSA-N 0 0 343.412 3.079 10 5 EGBERN O=C(N[C@@H]1CCCc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045265304 454148908 /nfs/dbraw/zinc/14/89/08/454148908.db2.gz PCPLOULELYRJPU-OAHLLOKOSA-N 0 0 336.351 3.279 10 5 EGBERN O=C(NC/C=C/c1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000119355830 454189116 /nfs/dbraw/zinc/18/91/16/454189116.db2.gz XVIRHCRNNIXWQO-WEVVVXLNSA-N 0 0 325.368 3.150 10 5 EGBERN O=C([C@@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000058358125 454193211 /nfs/dbraw/zinc/19/32/11/454193211.db2.gz HLNQGCUYMAGOKF-HNNXBMFYSA-N 0 0 343.408 3.446 10 5 EGBERN CC(=O)c1csc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000119735126 454216489 /nfs/dbraw/zinc/21/64/89/454216489.db2.gz RPJIMGBRAIDFMM-UHFFFAOYSA-N 0 0 330.365 3.057 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCCc1csc(N2CCCC2)n1 ZINC000078340403 454235257 /nfs/dbraw/zinc/23/52/57/454235257.db2.gz YHIOMHXZZOHOEY-UHFFFAOYSA-N 0 0 336.392 3.445 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1c1ccccc1Cl ZINC000078340356 454235644 /nfs/dbraw/zinc/23/56/44/454235644.db2.gz BIGFAYIAHCXZSH-ZDUSSCGKSA-N 0 0 346.774 3.251 10 5 EGBERN C[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090092438 454277904 /nfs/dbraw/zinc/27/79/04/454277904.db2.gz GNDIOOHULWTUPO-CYBMUJFWSA-N 0 0 327.384 3.254 10 5 EGBERN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000072302972 454292315 /nfs/dbraw/zinc/29/23/15/454292315.db2.gz RSSMTSZYEOKSET-OLZOCXBDSA-N 0 0 333.731 3.131 10 5 EGBERN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccs1 ZINC000046896443 454297945 /nfs/dbraw/zinc/29/79/45/454297945.db2.gz BJUJYOZKSTVHDQ-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090467360 454309760 /nfs/dbraw/zinc/30/97/60/454309760.db2.gz SBJIEYNMYGDJOO-RDJZCZTQSA-N 0 0 340.379 3.413 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000060706471 454311118 /nfs/dbraw/zinc/31/11/18/454311118.db2.gz QDOAFONWXRDBQQ-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN C[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277232 454315058 /nfs/dbraw/zinc/31/50/58/454315058.db2.gz PLDQGWONDIZTPS-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN COCc1nc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000096280706 454315998 /nfs/dbraw/zinc/31/59/98/454315998.db2.gz HGHPJQMQWCALHC-UHFFFAOYSA-N 0 0 341.323 3.370 10 5 EGBERN CCC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060924106 454320651 /nfs/dbraw/zinc/32/06/51/454320651.db2.gz KDXKXEFMJJXSIS-NSHDSACASA-N 0 0 332.447 3.247 10 5 EGBERN CC[C@H](NC(=O)NCCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090558954 454321719 /nfs/dbraw/zinc/32/17/19/454321719.db2.gz FKKYOJSVDSQGGB-KRWDZBQOSA-N 0 0 343.383 3.293 10 5 EGBERN COCCN(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000120593382 454323330 /nfs/dbraw/zinc/32/33/30/454323330.db2.gz SPVWJWMZABSNHA-UHFFFAOYSA-N 0 0 338.385 3.155 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090684813 454335315 /nfs/dbraw/zinc/33/53/15/454335315.db2.gz MCRBJSFEHSEJTM-LSDHHAIUSA-N 0 0 337.420 3.406 10 5 EGBERN CC[C@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090686227 454335557 /nfs/dbraw/zinc/33/55/57/454335557.db2.gz IHOURZYCBVSLQT-GUYCJALGSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(CNc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000078953977 454343532 /nfs/dbraw/zinc/34/35/32/454343532.db2.gz XFYGGGRHBNPNEX-CQSZACIVSA-N 0 0 331.397 3.432 10 5 EGBERN Cc1nn(C)c(N(C)Cc2ccccc2N2CCCCC2)c1[N+](=O)[O-] ZINC000047331116 454358663 /nfs/dbraw/zinc/35/86/63/454358663.db2.gz KQQMDJAUOZIMQY-UHFFFAOYSA-N 0 0 343.431 3.263 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000063123438 454393496 /nfs/dbraw/zinc/39/34/96/454393496.db2.gz RCYTZPMFXPCKJI-HZPDHXFCSA-N 0 0 340.379 3.344 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000063446893 454413470 /nfs/dbraw/zinc/41/34/70/454413470.db2.gz ILXNRKNSPYRAKP-CQSZACIVSA-N 0 0 336.706 3.330 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000097163075 454419033 /nfs/dbraw/zinc/41/90/33/454419033.db2.gz SYPPVQPCYIHRAI-GUYCJALGSA-N 0 0 333.388 3.062 10 5 EGBERN CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Nc1ccccc1 ZINC000091425556 454433639 /nfs/dbraw/zinc/43/36/39/454433639.db2.gz WUFGNUCLXWDJTK-CQSZACIVSA-N 0 0 340.387 3.186 10 5 EGBERN Cc1sc(C(=O)NCCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000063680950 454435728 /nfs/dbraw/zinc/43/57/28/454435728.db2.gz XAAJHXBWHBHZHH-UHFFFAOYSA-N 0 0 338.360 3.303 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091629092 454453378 /nfs/dbraw/zinc/45/33/78/454453378.db2.gz ACMXNHAUZIFSJX-AWEZNQCLSA-N 0 0 344.390 3.321 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000133776959 454466623 /nfs/dbraw/zinc/46/66/23/454466623.db2.gz BFJHNQHCWMQALD-AWEZNQCLSA-N 0 0 333.369 3.262 10 5 EGBERN Cn1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)c(C(F)(F)F)n1 ZINC000121794664 454477253 /nfs/dbraw/zinc/47/72/53/454477253.db2.gz OYUYBUUBOXRZLE-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CCO2)o1 ZINC000133901960 454481301 /nfs/dbraw/zinc/48/13/01/454481301.db2.gz XLZARJWUBWXMAT-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN CSc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000101849584 454486185 /nfs/dbraw/zinc/48/61/85/454486185.db2.gz AAXGUUXVNYDCFG-UHFFFAOYSA-N 0 0 344.439 3.203 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000134001810 454491849 /nfs/dbraw/zinc/49/18/49/454491849.db2.gz URMMZUULVMQPMG-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000048523574 454496765 /nfs/dbraw/zinc/49/67/65/454496765.db2.gz XOBPSATWKFEZIL-UHFFFAOYSA-N 0 0 338.319 3.255 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134056963 454497780 /nfs/dbraw/zinc/49/77/80/454497780.db2.gz AIRDMRZNRWMSNQ-CVEARBPZSA-N 0 0 332.400 3.405 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092096381 454520622 /nfs/dbraw/zinc/52/06/22/454520622.db2.gz WSIOUDYIBFYOSB-AYOQOUSVSA-N 0 0 348.443 3.487 10 5 EGBERN CCCn1nnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21 ZINC000064979998 454521497 /nfs/dbraw/zinc/52/14/97/454521497.db2.gz NWAHVKCKZLLFNU-UHFFFAOYSA-N 0 0 340.299 3.060 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@H](C)CCSC)cc1[N+](=O)[O-] ZINC000134320846 454527503 /nfs/dbraw/zinc/52/75/03/454527503.db2.gz BDPKYBUZELPEIR-LLVKDONJSA-N 0 0 326.418 3.207 10 5 EGBERN COCc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377163 454552295 /nfs/dbraw/zinc/55/22/95/454552295.db2.gz VSTFUNFJTHJROC-LBPRGKRZSA-N 0 0 326.352 3.333 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000104458320 454586138 /nfs/dbraw/zinc/58/61/38/454586138.db2.gz ADPCYARZXLVVSJ-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN COc1ccccc1CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000104769011 454601933 /nfs/dbraw/zinc/60/19/33/454601933.db2.gz GCNPCCJARQZZAJ-UHFFFAOYSA-N 0 0 329.356 3.310 10 5 EGBERN Cc1csc(N2CCCN(c3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000080585632 454602263 /nfs/dbraw/zinc/60/22/63/454602263.db2.gz JCESKIGJVZEJPY-UHFFFAOYSA-N 0 0 332.429 3.385 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000123175764 454610670 /nfs/dbraw/zinc/61/06/70/454610670.db2.gz VAGZSESQIBWBQW-UHFFFAOYSA-N 0 0 343.383 3.358 10 5 EGBERN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000092685733 454610924 /nfs/dbraw/zinc/61/09/24/454610924.db2.gz IJGHFWTYUXNSFU-QMMMGPOBSA-N 0 0 326.303 3.271 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000074659839 454614929 /nfs/dbraw/zinc/61/49/29/454614929.db2.gz NJJBHVBONQXVOZ-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000080976315 454663832 /nfs/dbraw/zinc/66/38/32/454663832.db2.gz MHPAJCNVYQOTJK-LBPRGKRZSA-N 0 0 325.796 3.133 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000066327394 454684968 /nfs/dbraw/zinc/68/49/68/454684968.db2.gz JORMEHHMVUVJCN-SECBINFHSA-N 0 0 344.439 3.244 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)s1 ZINC000066327543 454685115 /nfs/dbraw/zinc/68/51/15/454685115.db2.gz SEZZVPNKGHYUTL-GFCCVEGCSA-N 0 0 338.410 3.182 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(C)nn(C)c1C ZINC000081259619 454699849 /nfs/dbraw/zinc/69/98/49/454699849.db2.gz WVYHVQCMNFZKHE-CQSZACIVSA-N 0 0 330.388 3.135 10 5 EGBERN O=C(NCCc1cccc(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161620410 454708982 /nfs/dbraw/zinc/70/89/82/454708982.db2.gz JKZKRYMQKZVKOP-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccs2)C1 ZINC000161860854 454730163 /nfs/dbraw/zinc/73/01/63/454730163.db2.gz YBGFMGNEBGKAIA-HNNXBMFYSA-N 0 0 346.408 3.189 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2cccs2)C1 ZINC000161908349 454735161 /nfs/dbraw/zinc/73/51/61/454735161.db2.gz KSLCSPGORLVBOW-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000161974197 454742412 /nfs/dbraw/zinc/74/24/12/454742412.db2.gz FFDRHJWUDCEHNW-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN Cc1ccc(-c2noc(CSCCn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000162187989 454757149 /nfs/dbraw/zinc/75/71/49/454757149.db2.gz ZZYBJEOLBSSSQE-UHFFFAOYSA-N 0 0 345.384 3.083 10 5 EGBERN CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153136288 454763992 /nfs/dbraw/zinc/76/39/92/454763992.db2.gz ACBCAFWKFCZNMS-INIZCTEOSA-N 0 0 348.424 3.036 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176765631 454780044 /nfs/dbraw/zinc/78/00/44/454780044.db2.gz GMOOJWBZSQQTMW-OAHLLOKOSA-N 0 0 343.387 3.105 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000162510775 454780386 /nfs/dbraw/zinc/78/03/86/454780386.db2.gz VWSBLHKPPUEPHK-JKSUJKDBSA-N 0 0 343.387 3.405 10 5 EGBERN C[C@H](Sc1nnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000137878845 454786516 /nfs/dbraw/zinc/78/65/16/454786516.db2.gz BNGLTADETOTLJW-LBPRGKRZSA-N 0 0 341.396 3.483 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000184915336 455471623 /nfs/dbraw/zinc/47/16/23/455471623.db2.gz XSFOVCOSHYCRAL-IDKBZEPQSA-N 0 0 332.400 3.272 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCCC2 ZINC000150814448 454896951 /nfs/dbraw/zinc/89/69/51/454896951.db2.gz UNYQCXLBKINLJB-HZPDHXFCSA-N 0 0 347.415 3.108 10 5 EGBERN COCCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154479007 454900638 /nfs/dbraw/zinc/90/06/38/454900638.db2.gz ZVQIFURIAAMMKR-UHFFFAOYSA-N 0 0 344.367 3.489 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000191469498 455487596 /nfs/dbraw/zinc/48/75/96/455487596.db2.gz ZKHOKVGPVZGTGI-CQSZACIVSA-N 0 0 348.790 3.346 10 5 EGBERN O=c1cc(C(F)(F)F)nc(SCc2csc([N+](=O)[O-])c2)[nH]1 ZINC000127005213 454931863 /nfs/dbraw/zinc/93/18/63/454931863.db2.gz AYSMQAGDFZZFCR-UHFFFAOYSA-N 0 0 337.304 3.463 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)no1 ZINC000154856978 454936897 /nfs/dbraw/zinc/93/68/97/454936897.db2.gz NXOBWWRFFHMTCJ-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000127248681 454948290 /nfs/dbraw/zinc/94/82/90/454948290.db2.gz ARXBNCPHNMDYPG-MRXNPFEDSA-N 0 0 325.368 3.451 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151652060 455012998 /nfs/dbraw/zinc/01/29/98/455012998.db2.gz XMQAAASBRKQECV-SJKOYZFVSA-N 0 0 326.352 3.059 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000115590067 455021909 /nfs/dbraw/zinc/02/19/09/455021909.db2.gz HYBFQHNQLGKFGW-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151748872 455025629 /nfs/dbraw/zinc/02/56/29/455025629.db2.gz HRNCYSPRZYHWGK-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1sc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151767148 455027803 /nfs/dbraw/zinc/02/78/03/455027803.db2.gz WVRLEHYDRSSNOZ-ZUZCIYMTSA-N 0 0 346.408 3.429 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116002079 455038389 /nfs/dbraw/zinc/03/83/89/455038389.db2.gz GHXPEZBUEJYUMA-UONOGXRCSA-N 0 0 346.333 3.335 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000128811166 455085224 /nfs/dbraw/zinc/08/52/24/455085224.db2.gz CLLJFCQFASTTNQ-BTDLBPIBSA-N 0 0 342.326 3.015 10 5 EGBERN Cc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000156461656 455121247 /nfs/dbraw/zinc/12/12/47/455121247.db2.gz VFXCNLVRBCKNHD-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN CN(CCOc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129863820 455129814 /nfs/dbraw/zinc/12/98/14/455129814.db2.gz QMGKFCQSJUOJAV-UHFFFAOYSA-N 0 0 339.351 3.227 10 5 EGBERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000156598263 455137045 /nfs/dbraw/zinc/13/70/45/455137045.db2.gz RVUHKNWLFGSGRM-QGZVFWFLSA-N 0 0 342.399 3.011 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000612573251 460665706 /nfs/dbraw/zinc/66/57/06/460665706.db2.gz OBAHMOZJJRTGEX-HNNXBMFYSA-N 0 0 333.775 3.468 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000190398537 455308052 /nfs/dbraw/zinc/30/80/52/455308052.db2.gz ISDRVOUTUCFVGF-INIZCTEOSA-N 0 0 341.367 3.226 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000173938791 455342868 /nfs/dbraw/zinc/34/28/68/455342868.db2.gz WZPDHUYMEXGAJR-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN O=C1CCCN1c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000265583329 455345567 /nfs/dbraw/zinc/34/55/67/455345567.db2.gz WWFUHHZQIHVZHW-UHFFFAOYSA-N 0 0 346.774 3.382 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1C ZINC000190695877 455368784 /nfs/dbraw/zinc/36/87/84/455368784.db2.gz MVAIADIKPCLXPP-AWEZNQCLSA-N 0 0 342.351 3.165 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245872753 455389718 /nfs/dbraw/zinc/38/97/18/455389718.db2.gz MGTHXJFCGQXCMC-STQMWFEESA-N 0 0 340.420 3.220 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000191499058 455490748 /nfs/dbraw/zinc/49/07/48/455490748.db2.gz MGXBLSVBYSUEKX-JTQLQIEISA-N 0 0 336.779 3.298 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2C)C(C)C)n1 ZINC000191613266 455503594 /nfs/dbraw/zinc/50/35/94/455503594.db2.gz SRXJMFISOGYKRW-HNNXBMFYSA-N 0 0 330.388 3.247 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CSc3ccccc32)n1 ZINC000191686522 455510300 /nfs/dbraw/zinc/51/03/00/455510300.db2.gz HWGNWJZCGWSPDP-LLVKDONJSA-N 0 0 346.412 3.200 10 5 EGBERN COC(=O)CC1(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000191816170 455521788 /nfs/dbraw/zinc/52/17/88/455521788.db2.gz NXXYTYLLKDMVPI-UHFFFAOYSA-N 0 0 334.372 3.071 10 5 EGBERN CCO[C@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601017196 460676341 /nfs/dbraw/zinc/67/63/41/460676341.db2.gz XYVDKAKPPOQUGL-INIZCTEOSA-N 0 0 332.400 3.044 10 5 EGBERN Cc1csc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000182585905 455547299 /nfs/dbraw/zinc/54/72/99/455547299.db2.gz KTIUVMRIAOHISZ-ZETCQYMHSA-N 0 0 325.415 3.263 10 5 EGBERN Cc1c(CC(=O)Nc2ncn(C3CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000182716875 455574416 /nfs/dbraw/zinc/57/44/16/455574416.db2.gz YPJXXABEYUHJKL-UHFFFAOYSA-N 0 0 343.387 3.181 10 5 EGBERN CC[C@H](NC(=O)N1CC=C(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000185598978 455583363 /nfs/dbraw/zinc/58/33/63/455583363.db2.gz AOCPBCBJSHZHIN-INIZCTEOSA-N 0 0 333.388 3.034 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](CC(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000277557079 455597467 /nfs/dbraw/zinc/59/74/67/455597467.db2.gz YIMNTAFSRWRBBU-SNVBAGLBSA-N 0 0 346.305 3.469 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000192455366 455621147 /nfs/dbraw/zinc/62/11/47/455621147.db2.gz YYLJGOWHPUIAMN-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271425689 455632563 /nfs/dbraw/zinc/63/25/63/455632563.db2.gz QWIRSPGTAQKJFZ-LQJRIPTKSA-N 0 0 348.790 3.109 10 5 EGBERN COc1ccc([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000192519843 455635874 /nfs/dbraw/zinc/63/58/74/455635874.db2.gz VBHXMLGGNOLPKN-LBPRGKRZSA-N 0 0 329.356 3.140 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000268318848 455649764 /nfs/dbraw/zinc/64/97/64/455649764.db2.gz SGGLUPTVGHITRR-GOEBONIOSA-N 0 0 342.395 3.188 10 5 EGBERN CO[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277757927 455657237 /nfs/dbraw/zinc/65/72/37/455657237.db2.gz QWLVDKLNTOCXLP-CYBMUJFWSA-N 0 0 336.391 3.345 10 5 EGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000277974389 455723875 /nfs/dbraw/zinc/72/38/75/455723875.db2.gz LUMLKHJBWPOAGJ-PWSUYJOCSA-N 0 0 326.780 3.196 10 5 EGBERN CCOc1ccc(C(=O)NC2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000186272628 455731431 /nfs/dbraw/zinc/73/14/31/455731431.db2.gz REYSWIJULKZSQP-UHFFFAOYSA-N 0 0 340.379 3.499 10 5 EGBERN C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271749858 455745211 /nfs/dbraw/zinc/74/52/11/455745211.db2.gz FOZPMTZOEWTIBZ-CZUORRHYSA-N 0 0 343.383 3.079 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000193227134 455747321 /nfs/dbraw/zinc/74/73/21/455747321.db2.gz FLSQXKZQICQTDU-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Cc1cnc([C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000186384700 455757734 /nfs/dbraw/zinc/75/77/34/455757734.db2.gz FASCENWJVXWVKU-VIFPVBQESA-N 0 0 344.396 3.375 10 5 EGBERN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000193802649 455777871 /nfs/dbraw/zinc/77/78/71/455777871.db2.gz GLQATURSDVTOBD-CYBMUJFWSA-N 0 0 341.367 3.061 10 5 EGBERN COc1ccc(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000285067895 455784573 /nfs/dbraw/zinc/78/45/73/455784573.db2.gz JDXKOUSOBHHJGS-JTQLQIEISA-N 0 0 347.371 3.376 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3COc4ccccc43)cc2N1 ZINC000194657662 455869793 /nfs/dbraw/zinc/86/97/93/455869793.db2.gz VCEITQPNSVYETH-CQSZACIVSA-N 0 0 325.324 3.025 10 5 EGBERN CCOc1cccc(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000194923991 455901120 /nfs/dbraw/zinc/90/11/20/455901120.db2.gz JMIFOWJNJZXQEZ-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Sc3nnc(NC4CC4)s3)nc2c1 ZINC000296572464 455978006 /nfs/dbraw/zinc/97/80/06/455978006.db2.gz QOLFETMVMXFKKT-UHFFFAOYSA-N 0 0 334.386 3.048 10 5 EGBERN O=C(c1ccccc1)N1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286229772 456005243 /nfs/dbraw/zinc/00/52/43/456005243.db2.gz UCKBPVXJGVKMCD-UHFFFAOYSA-N 0 0 343.358 3.451 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301273980 456078546 /nfs/dbraw/zinc/07/85/46/456078546.db2.gz IITFPBHERYJQDF-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN CCOC(=O)c1ccnc(N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-] ZINC000301368491 456100416 /nfs/dbraw/zinc/10/04/16/456100416.db2.gz RWRBVPKDMOJVCU-UHFFFAOYSA-N 0 0 339.351 3.350 10 5 EGBERN Cc1ccc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301456903 456120220 /nfs/dbraw/zinc/12/02/20/456120220.db2.gz XEJZKYLKGWFYCB-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCNc1ccccc1 ZINC000601111591 460714584 /nfs/dbraw/zinc/71/45/84/460714584.db2.gz SYPFEJQRDFVWII-UHFFFAOYSA-N 0 0 343.309 3.261 10 5 EGBERN COc1cc(N2CCO[C@@H](c3cccs3)C2)c(F)cc1[N+](=O)[O-] ZINC000271101007 456125554 /nfs/dbraw/zinc/12/55/54/456125554.db2.gz PDFVWDZIPDOOLA-CQSZACIVSA-N 0 0 338.360 3.382 10 5 EGBERN O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120956 460718560 /nfs/dbraw/zinc/71/85/60/460718560.db2.gz LZGZDXMNGFCMFM-GFCCVEGCSA-N 0 0 347.321 3.367 10 5 EGBERN CC(C)n1cc([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cn1 ZINC000601117246 460717340 /nfs/dbraw/zinc/71/73/40/460717340.db2.gz ZUMRAUBJXYQERG-QMMMGPOBSA-N 0 0 346.313 3.298 10 5 EGBERN CCc1nn(C)c(N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC000271217503 456179404 /nfs/dbraw/zinc/17/94/04/456179404.db2.gz CBOMDXVZRDEMFW-UHFFFAOYSA-N 0 0 343.362 3.074 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCc4cc(F)ccc43)cc2N1 ZINC000301683504 456184569 /nfs/dbraw/zinc/18/45/69/456184569.db2.gz KNEOBFDLOPPSAF-LBPRGKRZSA-N 0 0 343.314 3.164 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301713978 456196229 /nfs/dbraw/zinc/19/62/29/456196229.db2.gz JCDPOTQWQKQYDL-UHFFFAOYSA-N 0 0 344.346 3.411 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301754454 456206786 /nfs/dbraw/zinc/20/67/86/456206786.db2.gz WVAVDHBKNLXYOV-BONVTDFDSA-N 0 0 333.775 3.472 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCc1nccs1 ZINC000289996009 456211105 /nfs/dbraw/zinc/21/11/05/456211105.db2.gz PCDNXRMEOCFIEG-UHFFFAOYSA-N 0 0 334.401 3.422 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000297471817 456228830 /nfs/dbraw/zinc/22/88/30/456228830.db2.gz DCVITVFVBMMHSY-AHIWAGSCSA-N 0 0 343.383 3.077 10 5 EGBERN CC(C)c1ccc(OCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301869613 456237445 /nfs/dbraw/zinc/23/74/45/456237445.db2.gz CLPSKGXGAZXOAX-UHFFFAOYSA-N 0 0 341.371 3.252 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000189177600 456246634 /nfs/dbraw/zinc/24/66/34/456246634.db2.gz XOKZOWWCCPTCHB-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000301932088 456253716 /nfs/dbraw/zinc/25/37/16/456253716.db2.gz PAZHGTINXVYCJZ-DOMZBBRYSA-N 0 0 346.774 3.027 10 5 EGBERN O=c1ccccn1Cc1ccc(CNc2sccc2[N+](=O)[O-])cc1 ZINC000302006806 456268874 /nfs/dbraw/zinc/26/88/74/456268874.db2.gz WBRZZTUGEXMELC-UHFFFAOYSA-N 0 0 341.392 3.478 10 5 EGBERN Cc1ccc(N2CCC[C@H](Nc3cc(CO)ccc3[N+](=O)[O-])C2)cc1 ZINC000302020366 456270242 /nfs/dbraw/zinc/27/02/42/456270242.db2.gz DXGUEASOGRVIFN-INIZCTEOSA-N 0 0 341.411 3.476 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000275755697 456305214 /nfs/dbraw/zinc/30/52/14/456305214.db2.gz DXDQMQKFNXRTAN-NSHDSACASA-N 0 0 326.780 3.244 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297840376 456307243 /nfs/dbraw/zinc/30/72/43/456307243.db2.gz UMXUMYVXCXRGDM-UHFFFAOYSA-N 0 0 343.261 3.183 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3c2cccc3OC)c1 ZINC000302198270 456314037 /nfs/dbraw/zinc/31/40/37/456314037.db2.gz UCWSIEBJWDIGCI-CQSZACIVSA-N 0 0 342.351 3.489 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(N)=O)c2ccccc21 ZINC000340222202 456321641 /nfs/dbraw/zinc/32/16/41/456321641.db2.gz OUAGYVACRPWYNB-DOMZBBRYSA-N 0 0 325.368 3.135 10 5 EGBERN Nc1nc(N2CCCCC[C@H]2/C=C/c2cccs2)ncc1[N+](=O)[O-] ZINC000302354516 456336173 /nfs/dbraw/zinc/33/61/73/456336173.db2.gz DNLQTQVABLRCCV-GUOLPTJISA-N 0 0 345.428 3.491 10 5 EGBERN CCCC[C@H](COC)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275891423 456342688 /nfs/dbraw/zinc/34/26/88/456342688.db2.gz RTHSSGUVSTYDSI-GFCCVEGCSA-N 0 0 328.796 3.492 10 5 EGBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302471335 456346206 /nfs/dbraw/zinc/34/62/06/456346206.db2.gz UIRADSXYOQQCJG-AAEUAGOBSA-N 0 0 336.392 3.047 10 5 EGBERN Cc1cccc(NCc2ccc(N3CCOC3=O)cc2)c1[N+](=O)[O-] ZINC000302485579 456348218 /nfs/dbraw/zinc/34/82/18/456348218.db2.gz HWZXUZQXDOZJTP-UHFFFAOYSA-N 0 0 327.340 3.472 10 5 EGBERN Cc1cnc([C@@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601141986 460729369 /nfs/dbraw/zinc/72/93/69/460729369.db2.gz KBLSOJDYZGCMIZ-LURJTMIESA-N 0 0 349.338 3.328 10 5 EGBERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302492213 456349208 /nfs/dbraw/zinc/34/92/08/456349208.db2.gz ZNADPZKNFGSTCH-VXGBXAGGSA-N 0 0 336.392 3.047 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc3ccccc3s1)CC2 ZINC000347786659 456368416 /nfs/dbraw/zinc/36/84/16/456368416.db2.gz OTSORSYBRQNUEU-UHFFFAOYSA-N 0 0 326.381 3.158 10 5 EGBERN CC(C)(C)c1ncc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148473 460730713 /nfs/dbraw/zinc/73/07/13/460730713.db2.gz CHDUZYKURMYWDC-KRWDZBQOSA-N 0 0 349.456 3.346 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000290589164 456376355 /nfs/dbraw/zinc/37/63/55/456376355.db2.gz XWABROZWDALHQE-WFASDCNBSA-N 0 0 327.388 3.159 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)C2CCCCC2)c1 ZINC000302693764 456376964 /nfs/dbraw/zinc/37/69/64/456376964.db2.gz FVHXHSHJSHNZTK-MRXNPFEDSA-N 0 0 326.368 3.486 10 5 EGBERN CO[C@H](C)[C@H](C)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302721175 456383129 /nfs/dbraw/zinc/38/31/29/456383129.db2.gz PHVXKVSLOACKMO-NKWVEPMBSA-N 0 0 337.254 3.357 10 5 EGBERN Cc1ccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000352880609 456386689 /nfs/dbraw/zinc/38/66/89/456386689.db2.gz BDPFHVBAFNHTSW-UHFFFAOYSA-N 0 0 339.355 3.181 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000347848394 456403319 /nfs/dbraw/zinc/40/33/19/456403319.db2.gz NKEQTRJDNIANSJ-LDYMZIIASA-N 0 0 332.278 3.016 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000340392428 456434019 /nfs/dbraw/zinc/43/40/19/456434019.db2.gz MMOUOIBBLPJTGL-KRWDZBQOSA-N 0 0 343.408 3.349 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000348020563 456439462 /nfs/dbraw/zinc/43/94/62/456439462.db2.gz CTCHIMNMNQHZNK-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)NCc1ccccc1[N+](=O)[O-] ZINC000337654441 456459950 /nfs/dbraw/zinc/45/99/50/456459950.db2.gz NYYJKIGZTCXGOT-UHFFFAOYSA-N 0 0 338.367 3.118 10 5 EGBERN O=[N+]([O-])c1cc(COc2nc(Cc3ccc(F)cc3)no2)cs1 ZINC000353047478 456461369 /nfs/dbraw/zinc/46/13/69/456461369.db2.gz XFOXBFUWYWXWBX-UHFFFAOYSA-N 0 0 335.316 3.348 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298711153 456522600 /nfs/dbraw/zinc/52/26/00/456522600.db2.gz KOLGXMIESGDWKE-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN Cc1cc(NC(=O)CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000340607291 456566721 /nfs/dbraw/zinc/56/67/21/456566721.db2.gz UQWCBHOTUNCGPU-UHFFFAOYSA-N 0 0 332.360 3.239 10 5 EGBERN Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)sc2nccn12 ZINC000337900174 456591097 /nfs/dbraw/zinc/59/10/97/456591097.db2.gz IFMWBLCSOCPQDR-UHFFFAOYSA-N 0 0 344.396 3.278 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340677965 456617756 /nfs/dbraw/zinc/61/77/56/456617756.db2.gz RNRFOVYHHQKADL-UHFFFAOYSA-N 0 0 344.415 3.041 10 5 EGBERN O=C(NC1(CCOCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000340681013 456618314 /nfs/dbraw/zinc/61/83/14/456618314.db2.gz KTVQTYFOVKLHHF-UHFFFAOYSA-N 0 0 340.379 3.464 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C(=O)[O-])CCc2c1cccc2F ZINC000340684145 456621262 /nfs/dbraw/zinc/62/12/62/456621262.db2.gz SRXSJPLRTXEUNQ-GOSISDBHSA-N 0 0 344.342 3.058 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC000282805586 456631585 /nfs/dbraw/zinc/63/15/85/456631585.db2.gz RZGQRJDDLBLGHS-UHFFFAOYSA-N 0 0 325.368 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2noc(C3CC3)n2)c(C(F)(F)F)c1 ZINC000343476332 456647235 /nfs/dbraw/zinc/64/72/35/456647235.db2.gz RWGOQQWOJBNEFM-UHFFFAOYSA-N 0 0 328.250 3.486 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322432323 456647613 /nfs/dbraw/zinc/64/76/13/456647613.db2.gz CIQZNLJMQQWXQU-UHFFFAOYSA-N 0 0 334.759 3.425 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC000353418071 456688482 /nfs/dbraw/zinc/68/84/82/456688482.db2.gz ZDHALLPINRSIBK-UHFFFAOYSA-N 0 0 328.097 3.077 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1cccn1C ZINC000277182148 456713109 /nfs/dbraw/zinc/71/31/09/456713109.db2.gz ALZDCYRUTIEGHC-MRXNPFEDSA-N 0 0 343.383 3.309 10 5 EGBERN COc1cc(NCCOCC(F)(F)C(F)F)c([N+](=O)[O-])cc1F ZINC000277291559 456763313 /nfs/dbraw/zinc/76/33/13/456763313.db2.gz AWYYIVSFIYONEU-UHFFFAOYSA-N 0 0 344.236 3.071 10 5 EGBERN Cc1c(NC(=O)N2CCCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000283538950 456799017 /nfs/dbraw/zinc/79/90/17/456799017.db2.gz GVKURRPQPLNIIU-UHFFFAOYSA-N 0 0 344.165 3.225 10 5 EGBERN Cc1cc(N[C@H](C)C(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000301197184 456820428 /nfs/dbraw/zinc/82/04/28/456820428.db2.gz USWTWAKJAWHANY-CYBMUJFWSA-N 0 0 325.368 3.293 10 5 EGBERN O=C(NC[C@H](c1ccccc1)C1CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348725638 456829394 /nfs/dbraw/zinc/82/93/94/456829394.db2.gz CYSNMGUWCKWYDK-MRXNPFEDSA-N 0 0 326.352 3.224 10 5 EGBERN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000341361879 456855642 /nfs/dbraw/zinc/85/56/42/456855642.db2.gz HRCAYISGDKEKMN-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN Cc1ncoc1COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292192778 456880785 /nfs/dbraw/zinc/88/07/85/456880785.db2.gz KBTKABVATGJILV-UHFFFAOYSA-N 0 0 340.719 3.057 10 5 EGBERN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2F)N1C1CC1 ZINC000349158846 456901399 /nfs/dbraw/zinc/90/13/99/456901399.db2.gz KGUDCDCXJPXRPG-MRXNPFEDSA-N 0 0 327.315 3.463 10 5 EGBERN C[C@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000341711154 456909607 /nfs/dbraw/zinc/90/96/07/456909607.db2.gz CPRIBAOFPRAKCR-DTWKUNHWSA-N 0 0 343.177 3.111 10 5 EGBERN CSc1cccc(C(=O)Nc2cnc(CC3CC3)nc2)c1[N+](=O)[O-] ZINC000341770269 456936180 /nfs/dbraw/zinc/93/61/80/456936180.db2.gz OEFGNDBAJQTBBS-UHFFFAOYSA-N 0 0 344.396 3.312 10 5 EGBERN CC(C)CCc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000349492799 456977349 /nfs/dbraw/zinc/97/73/49/456977349.db2.gz GSKXKLOVUSEFJI-UHFFFAOYSA-N 0 0 343.431 3.481 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000356483618 457014615 /nfs/dbraw/zinc/01/46/15/457014615.db2.gz ULIDHGOMGALDHI-FUHWJXTLSA-N 0 0 326.352 3.063 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc21 ZINC000362680043 457040126 /nfs/dbraw/zinc/04/01/26/457040126.db2.gz GWLXNRFDIUTXRZ-UHFFFAOYSA-N 0 0 330.731 3.239 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCCc2occc2C1 ZINC000356552769 457051945 /nfs/dbraw/zinc/05/19/45/457051945.db2.gz RKVKALVGENUBLK-UHFFFAOYSA-N 0 0 325.324 3.258 10 5 EGBERN CC(C)CN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000339341943 457058613 /nfs/dbraw/zinc/05/86/13/457058613.db2.gz GCENZTBMFNEUMW-UHFFFAOYSA-N 0 0 334.294 3.021 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCCOCCOc1ccccc1 ZINC000349830873 457069065 /nfs/dbraw/zinc/06/90/65/457069065.db2.gz JOYZATZKAWDPCS-UHFFFAOYSA-N 0 0 338.747 3.118 10 5 EGBERN CC(=O)c1ccc(CC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342060847 457085452 /nfs/dbraw/zinc/08/54/52/457085452.db2.gz KLERZSVZXNVUCH-LBPRGKRZSA-N 0 0 326.352 3.217 10 5 EGBERN CCOc1cc(NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC ZINC000362900875 457147760 /nfs/dbraw/zinc/14/77/60/457147760.db2.gz MOLWTPHXYXIEAY-CDMJZVDBSA-N 0 0 349.387 3.312 10 5 EGBERN Cc1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000359966953 457175653 /nfs/dbraw/zinc/17/56/53/457175653.db2.gz SWZGNMHFPZZVSU-NSHDSACASA-N 0 0 332.335 3.297 10 5 EGBERN COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000359995205 457193182 /nfs/dbraw/zinc/19/31/82/457193182.db2.gz YBLGSEYBXAVBSX-UHFFFAOYSA-N 0 0 330.315 3.413 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000363013871 457195011 /nfs/dbraw/zinc/19/50/11/457195011.db2.gz ORLNPRIIVTYUHO-UHFFFAOYSA-N 0 0 327.365 3.336 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000360011145 457202191 /nfs/dbraw/zinc/20/21/91/457202191.db2.gz TWCBTQJRZVOYTK-QWHCGFSZSA-N 0 0 348.399 3.312 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000356922521 457220682 /nfs/dbraw/zinc/22/06/82/457220682.db2.gz PNMZHBRJQBREMI-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN Cc1oc2ccccc2c1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000347109040 457233460 /nfs/dbraw/zinc/23/34/60/457233460.db2.gz GVKNLHUNSPUMJW-UHFFFAOYSA-N 0 0 325.284 3.100 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000360075959 457241074 /nfs/dbraw/zinc/24/10/74/457241074.db2.gz WCNNEDCWSXVCRC-DCGLDWPTSA-N 0 0 338.379 3.205 10 5 EGBERN Cc1cc(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000347191155 457280491 /nfs/dbraw/zinc/28/04/91/457280491.db2.gz UFTXZLIIUJDFKI-GFCCVEGCSA-N 0 0 340.383 3.397 10 5 EGBERN CC[C@H](NC(=O)c1cnn2ccc(C)cc12)c1cccc([N+](=O)[O-])c1 ZINC000347213901 457292190 /nfs/dbraw/zinc/29/21/90/457292190.db2.gz RKIFCXMNXFFGMI-INIZCTEOSA-N 0 0 338.367 3.432 10 5 EGBERN COc1cc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc([N+](=O)[O-])c1C ZINC000347231068 457301466 /nfs/dbraw/zinc/30/14/66/457301466.db2.gz XOQCIIWSZAHZIE-CABZTGNLSA-N 0 0 333.344 3.102 10 5 EGBERN C[C@@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCOC1 ZINC000347269470 457321279 /nfs/dbraw/zinc/32/12/79/457321279.db2.gz SWEMNUKHJSTPCB-CYBMUJFWSA-N 0 0 343.177 3.113 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000351884912 457321334 /nfs/dbraw/zinc/32/13/34/457321334.db2.gz OVAOITCIYGVKPK-JQWIXIFHSA-N 0 0 326.418 3.021 10 5 EGBERN CC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000340060382 457325387 /nfs/dbraw/zinc/32/53/87/457325387.db2.gz FPYBALPDDYVXAH-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000340072596 457328767 /nfs/dbraw/zinc/32/87/67/457328767.db2.gz KFKPNENUYPXJGU-HNNXBMFYSA-N 0 0 331.372 3.052 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000352433700 457364820 /nfs/dbraw/zinc/36/48/20/457364820.db2.gz PZBFLVWCEUKZTI-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncccc1O ZINC000352510290 457428097 /nfs/dbraw/zinc/42/80/97/457428097.db2.gz SGLINGMVNXSNBY-UHFFFAOYSA-N 0 0 347.396 3.128 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000347533448 457490603 /nfs/dbraw/zinc/49/06/03/457490603.db2.gz BZOFTNWJXRLXAK-JTQLQIEISA-N 0 0 346.305 3.301 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000357405256 457500623 /nfs/dbraw/zinc/50/06/23/457500623.db2.gz XVOVXPMIABCIAE-WDEREUQCSA-N 0 0 346.305 3.163 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Oc2ccccc2)C1 ZINC000374213769 457525373 /nfs/dbraw/zinc/52/53/73/457525373.db2.gz VQSVIWKUFDLJQH-AWEZNQCLSA-N 0 0 330.315 3.027 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000356216400 457542335 /nfs/dbraw/zinc/54/23/35/457542335.db2.gz AOZSWHVHOUFZBI-UHFFFAOYSA-N 0 0 343.358 3.190 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1[N+](=O)[O-] ZINC000347616932 457551704 /nfs/dbraw/zinc/55/17/04/457551704.db2.gz ILIUOMHQOIMORJ-UHFFFAOYSA-N 0 0 343.364 3.069 10 5 EGBERN CC[C@H](NC(=O)N1CCCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000370128129 457554534 /nfs/dbraw/zinc/55/45/34/457554534.db2.gz DMHUFSZJIZUDLO-HNNXBMFYSA-N 0 0 335.404 3.256 10 5 EGBERN CO[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000425450989 457559430 /nfs/dbraw/zinc/55/94/30/457559430.db2.gz VGZPSWAKEMGFCN-IINYFYTJSA-N 0 0 343.221 3.214 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCO1 ZINC000357488962 457560906 /nfs/dbraw/zinc/56/09/06/457560906.db2.gz SQEZJYUJHMBHHA-MNOVXSKESA-N 0 0 342.355 3.332 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356378742 457594844 /nfs/dbraw/zinc/59/48/44/457594844.db2.gz QXTOXDZLDVUUAN-UHFFFAOYSA-N 0 0 337.339 3.071 10 5 EGBERN CN(C(=O)c1ncsc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000361147426 457613555 /nfs/dbraw/zinc/61/35/55/457613555.db2.gz XIMMTUHIYJBYLW-UHFFFAOYSA-N 0 0 342.174 3.090 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000374490587 457639492 /nfs/dbraw/zinc/63/94/92/457639492.db2.gz XSMSONZXEXKYIT-GUYCJALGSA-N 0 0 344.342 3.242 10 5 EGBERN COc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000410475222 457643792 /nfs/dbraw/zinc/64/37/92/457643792.db2.gz ZEBHULAQKWACLG-BMLIUANNSA-N 0 0 344.342 3.406 10 5 EGBERN CNc1c(C(=O)Nc2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000361220475 457651625 /nfs/dbraw/zinc/65/16/25/457651625.db2.gz KZGIKJNGXHUJOF-UHFFFAOYSA-N 0 0 327.340 3.214 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000374713313 457692397 /nfs/dbraw/zinc/69/23/97/457692397.db2.gz JVAAYBCVMHYVOK-UHFFFAOYSA-N 0 0 326.278 3.139 10 5 EGBERN Cc1ccncc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000357806105 457696943 /nfs/dbraw/zinc/69/69/43/457696943.db2.gz KOUJUIPWUDKLHX-UHFFFAOYSA-N 0 0 333.775 3.153 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000374869019 457723327 /nfs/dbraw/zinc/72/33/27/457723327.db2.gz OZMCVJXVJBNBAC-KRWDZBQOSA-N 0 0 332.331 3.013 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000357905263 457729303 /nfs/dbraw/zinc/72/93/03/457729303.db2.gz DXOFKMQTUOPHSB-VIFPVBQESA-N 0 0 330.369 3.034 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000370856004 457729639 /nfs/dbraw/zinc/72/96/39/457729639.db2.gz KMZHDXHILWEMAP-ZDUSSCGKSA-N 0 0 330.340 3.216 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410705311 457746828 /nfs/dbraw/zinc/74/68/28/457746828.db2.gz OZGWUSSLLUBJQL-DYVFJYSZSA-N 0 0 343.383 3.017 10 5 EGBERN Cc1cc(N2CCc3ncccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371005221 457755840 /nfs/dbraw/zinc/75/58/40/457755840.db2.gz NNOBBZIHQUWWTA-UHFFFAOYSA-N 0 0 347.378 3.318 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC2CC1(C(F)(F)F)C2 ZINC000411121176 457807850 /nfs/dbraw/zinc/80/78/50/457807850.db2.gz JRBXWTXESYTSKU-UHFFFAOYSA-N 0 0 334.681 3.415 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H](c2nc[nH]n2)c2ccccc2)c(Cl)c1 ZINC000375185554 457825117 /nfs/dbraw/zinc/82/51/17/457825117.db2.gz AIADKEJWVFYLHX-HNNXBMFYSA-N 0 0 343.774 3.246 10 5 EGBERN COC(=O)[C@@H](CNc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000433424999 457832099 /nfs/dbraw/zinc/83/20/99/457832099.db2.gz VCIHLGUSINGVFM-LBPRGKRZSA-N 0 0 348.330 3.111 10 5 EGBERN Cc1cn2cc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)ccc2n1 ZINC000361749890 457832610 /nfs/dbraw/zinc/83/26/10/457832610.db2.gz VKLRTGSNBGVSNH-UHFFFAOYSA-N 0 0 339.355 3.181 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444107375 457852755 /nfs/dbraw/zinc/85/27/55/457852755.db2.gz JINUHCQNVUKHSM-UHFFFAOYSA-N 0 0 331.375 3.282 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1noc(C)n1 ZINC000366605433 457867743 /nfs/dbraw/zinc/86/77/43/457867743.db2.gz CDGDVQKQAKBBQH-CQSZACIVSA-N 0 0 332.360 3.022 10 5 EGBERN COC1CCC(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000426885314 457921313 /nfs/dbraw/zinc/92/13/13/457921313.db2.gz ABSSOFVIFSUCIZ-UHFFFAOYSA-N 0 0 344.209 3.369 10 5 EGBERN COC1CCC(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000426907928 457923876 /nfs/dbraw/zinc/92/38/76/457923876.db2.gz VCNYIEVNCYWEHR-UHFFFAOYSA-N 0 0 333.388 3.097 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358328638 457936156 /nfs/dbraw/zinc/93/61/56/457936156.db2.gz UWRAOICMOXKZDW-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)n1 ZINC000427364278 457978217 /nfs/dbraw/zinc/97/82/17/457978217.db2.gz DXDAIKHHBHZWMR-UHFFFAOYSA-N 0 0 325.328 3.059 10 5 EGBERN COc1ccc(F)c(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000361980075 457989584 /nfs/dbraw/zinc/98/95/84/457989584.db2.gz GPXFPKAYXBGNDF-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)s1 ZINC000369110772 458085215 /nfs/dbraw/zinc/08/52/15/458085215.db2.gz CSCAAZKYZQSSTQ-LLVKDONJSA-N 0 0 342.384 3.178 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000371822217 458087429 /nfs/dbraw/zinc/08/74/29/458087429.db2.gz IBQFGCWLVWRJPE-FQNOHDAGSA-N 0 0 340.383 3.127 10 5 EGBERN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)nc1C ZINC000362404725 458156584 /nfs/dbraw/zinc/15/65/84/458156584.db2.gz UNIPXUXHJBKVNO-JTQLQIEISA-N 0 0 341.367 3.300 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]3c3ccc4ccccc4c3)nn21 ZINC000435575751 458165218 /nfs/dbraw/zinc/16/52/18/458165218.db2.gz SQARIICILIVLLP-JKSUJKDBSA-N 0 0 345.362 3.181 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000446614373 458204637 /nfs/dbraw/zinc/20/46/37/458204637.db2.gz ZPQZWTFHIGWVQU-BBBLOLIVSA-N 0 0 346.305 3.252 10 5 EGBERN O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000372216235 458236841 /nfs/dbraw/zinc/23/68/41/458236841.db2.gz HGRULMBWRNJIPP-UHFFFAOYSA-N 0 0 327.384 3.248 10 5 EGBERN CC[C@H]1CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295399 458312640 /nfs/dbraw/zinc/31/26/40/458312640.db2.gz PKLCZICNMGHJEC-NSHDSACASA-N 0 0 346.168 3.184 10 5 EGBERN CN(CC1CC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447677279 458328988 /nfs/dbraw/zinc/32/89/88/458328988.db2.gz SYUGCSNONVSASN-UHFFFAOYSA-N 0 0 325.237 3.490 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](c4cccc(F)c4)C3)nc2c1 ZINC000447677746 458329235 /nfs/dbraw/zinc/32/92/35/458329235.db2.gz HNJSXUBDXJJKRH-INIZCTEOSA-N 0 0 342.330 3.188 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)[nH]n2)o1 ZINC000447800750 458342789 /nfs/dbraw/zinc/34/27/89/458342789.db2.gz XBANSZPTDJPNMP-UHFFFAOYSA-N 0 0 326.312 3.447 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)CCCC2 ZINC000436824355 458388062 /nfs/dbraw/zinc/38/80/62/458388062.db2.gz GXGOCODVUFNHJV-UHFFFAOYSA-N 0 0 326.352 3.109 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(C2)CCOCC3)o1 ZINC000459616265 458429271 /nfs/dbraw/zinc/42/92/71/458429271.db2.gz IJQDVZKBNXDISG-UHFFFAOYSA-N 0 0 328.368 3.467 10 5 EGBERN COC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000437386873 458449566 /nfs/dbraw/zinc/44/95/66/458449566.db2.gz GRGZWZGRJXMBCX-INIZCTEOSA-N 0 0 332.331 3.160 10 5 EGBERN C[C@H]1CCN(c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccn2)C1 ZINC000437417099 458451622 /nfs/dbraw/zinc/45/16/22/458451622.db2.gz YZYJRACPBPDQQO-LBPRGKRZSA-N 0 0 326.356 3.088 10 5 EGBERN C[C@@H]1CCN(c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)ccn2)C1 ZINC000437562218 458466504 /nfs/dbraw/zinc/46/65/04/458466504.db2.gz UQARSOVBMUFGBF-LLVKDONJSA-N 0 0 344.346 3.227 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000459905468 458491134 /nfs/dbraw/zinc/49/11/34/458491134.db2.gz SLWFSEJZJAIVFE-OAHLLOKOSA-N 0 0 326.352 3.296 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)N1c3ccc([N+](=O)[O-])cc3C[C@@H]1C)C2 ZINC000459993971 458495062 /nfs/dbraw/zinc/49/50/62/458495062.db2.gz YTHUGXMCVZMBTO-YVEFUNNKSA-N 0 0 338.363 3.185 10 5 EGBERN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000431175970 458539649 /nfs/dbraw/zinc/53/96/49/458539649.db2.gz BHKDWXPFDOLCBH-GFCCVEGCSA-N 0 0 345.193 3.275 10 5 EGBERN Cc1c(NC(=O)[C@H]2CO[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431176591 458539880 /nfs/dbraw/zinc/53/98/80/458539880.db2.gz VAWYWXMMCVRKJL-IONNQARKSA-N 0 0 343.177 3.029 10 5 EGBERN Cc1cc(N2CCO[C@H](COc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461948847 458581752 /nfs/dbraw/zinc/58/17/52/458581752.db2.gz OQZKZTPOMBGCSF-HNNXBMFYSA-N 0 0 346.358 3.327 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cccc(C)c2[N+](=O)[O-])cc1 ZINC000438888480 458626234 /nfs/dbraw/zinc/62/62/34/458626234.db2.gz CWYLBJSRYOJWGV-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000462498797 458626300 /nfs/dbraw/zinc/62/63/00/458626300.db2.gz GJEQJPJRAUSDQT-UONOGXRCSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000438972923 458636033 /nfs/dbraw/zinc/63/60/33/458636033.db2.gz LROZTIRWWSJPNY-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN O=[N+]([O-])c1cccc2c(NCCc3cnc(C4CC4)nc3)ccnc21 ZINC000432321340 458715134 /nfs/dbraw/zinc/71/51/34/458715134.db2.gz FPTLLSLWEJDGNK-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN O=C(NC1(Cc2cccc(F)c2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000548175110 458851104 /nfs/dbraw/zinc/85/11/04/458851104.db2.gz APQCDMMHHKQHDA-UHFFFAOYSA-N 0 0 329.331 3.024 10 5 EGBERN O=C(NCCOCC1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457134530 458879236 /nfs/dbraw/zinc/87/92/36/458879236.db2.gz NSFFLQRWIPUBEG-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN COC(=O)c1cc(NCC2(CCO)CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474774800 458900126 /nfs/dbraw/zinc/90/01/26/458900126.db2.gz LZDUJMZIFNVDRH-UHFFFAOYSA-N 0 0 336.388 3.045 10 5 EGBERN COC(=O)c1cc(NCc2ccc(OC)cc2F)cc(C)c1[N+](=O)[O-] ZINC000474788391 458900846 /nfs/dbraw/zinc/90/08/46/458900846.db2.gz FNLDXYZJPKXTGE-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCCC2 ZINC000467779489 458986869 /nfs/dbraw/zinc/98/68/69/458986869.db2.gz ATFYUFMCHZKMRV-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN COc1c(C(=O)N2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476303382 458993982 /nfs/dbraw/zinc/99/39/82/458993982.db2.gz UEURBGMHEDLOLM-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000556851467 459020788 /nfs/dbraw/zinc/02/07/88/459020788.db2.gz RFUNPLDUQQRRIP-MRXNPFEDSA-N 0 0 340.379 3.031 10 5 EGBERN CO[C@]1(C)C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000477345502 459041898 /nfs/dbraw/zinc/04/18/98/459041898.db2.gz AJMURJMFHLCHMF-BLLLJJGKSA-N 0 0 340.807 3.490 10 5 EGBERN COC(=O)Cc1cccc(OC)c1OCc1cccc([N+](=O)[O-])c1C ZINC000520298287 459046898 /nfs/dbraw/zinc/04/68/98/459046898.db2.gz VIHQXHNUIYJLGP-UHFFFAOYSA-N 0 0 345.351 3.206 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577581191 459053692 /nfs/dbraw/zinc/05/36/92/459053692.db2.gz VAQSOCNKRRENKC-PWSUYJOCSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](COc3ccccc3)C2)c1 ZINC000477806676 459059964 /nfs/dbraw/zinc/05/99/64/459059964.db2.gz OLBBTQXVUYBIHS-INIZCTEOSA-N 0 0 328.368 3.187 10 5 EGBERN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532392327 459078758 /nfs/dbraw/zinc/07/87/58/459078758.db2.gz FOMLRGJZISCPIJ-UHFFFAOYSA-N 0 0 327.384 3.348 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc2c1OCO2 ZINC000594534560 459081788 /nfs/dbraw/zinc/08/17/88/459081788.db2.gz BCHAKBJJRCKKDC-JMJZKYOTSA-N 0 0 329.312 3.277 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594594347 459102248 /nfs/dbraw/zinc/10/22/48/459102248.db2.gz USPREXPCTKZSOY-HDJSIYSDSA-N 0 0 349.431 3.491 10 5 EGBERN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC2(CCCCC2)O1 ZINC000594597811 459103993 /nfs/dbraw/zinc/10/39/93/459103993.db2.gz BBCZRFABCPERCV-ZDUSSCGKSA-N 0 0 342.399 3.466 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594598117 459104312 /nfs/dbraw/zinc/10/43/12/459104312.db2.gz FNSKQPGGNZHPNZ-MRXNPFEDSA-N 0 0 343.383 3.355 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000594689119 459130382 /nfs/dbraw/zinc/13/03/82/459130382.db2.gz CSRULAWRYPVSLC-CXAGYDPISA-N 0 0 328.368 3.250 10 5 EGBERN O=C(Cc1ccncc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000590444335 459131811 /nfs/dbraw/zinc/13/18/11/459131811.db2.gz KPOSIWARWTUTII-UHFFFAOYSA-N 0 0 345.786 3.377 10 5 EGBERN CNc1ccc(C(=O)N2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000590446139 459132342 /nfs/dbraw/zinc/13/23/42/459132342.db2.gz ZDMVSPRZFAQAKN-UHFFFAOYSA-N 0 0 347.321 3.096 10 5 EGBERN CC(C)[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000558123042 459133267 /nfs/dbraw/zinc/13/32/67/459133267.db2.gz RBXIUOUZGKPLKR-HNNXBMFYSA-N 0 0 326.343 3.453 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000578107049 459144718 /nfs/dbraw/zinc/14/47/18/459144718.db2.gz UADOSNKOSIWNIE-CQSZACIVSA-N 0 0 347.337 3.136 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756131 459151696 /nfs/dbraw/zinc/15/16/96/459151696.db2.gz XNLFFJSMQZLMJG-LBPRGKRZSA-N 0 0 349.412 3.096 10 5 EGBERN CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752544 459152358 /nfs/dbraw/zinc/15/23/58/459152358.db2.gz SQFURYZGIWMXNB-AWEZNQCLSA-N 0 0 349.412 3.152 10 5 EGBERN C[C@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000479710453 459161391 /nfs/dbraw/zinc/16/13/91/459161391.db2.gz AAULMRGSWWANER-UGSOOPFHSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]1C(F)F ZINC000590608037 459161271 /nfs/dbraw/zinc/16/12/71/459161271.db2.gz XKIJSNNPACXJBM-QMMMGPOBSA-N 0 0 337.229 3.068 10 5 EGBERN COC[C@H](CSc1ccc(Br)cc1[N+](=O)[O-])OC ZINC000594890125 459167883 /nfs/dbraw/zinc/16/78/83/459167883.db2.gz MHGQSDWPKQHJCB-SECBINFHSA-N 0 0 336.207 3.111 10 5 EGBERN Cc1nn(Cc2ncc(Br)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000594902786 459170046 /nfs/dbraw/zinc/17/00/46/459170046.db2.gz VZAUYSCDGRQWTI-UHFFFAOYSA-N 0 0 345.584 3.267 10 5 EGBERN Cc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000590888835 459260449 /nfs/dbraw/zinc/26/04/49/459260449.db2.gz IKFAACNBWAGHPD-LBPRGKRZSA-N 0 0 342.351 3.165 10 5 EGBERN COC(=O)c1cc(NC(=O)CCc2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000522869862 459268104 /nfs/dbraw/zinc/26/81/04/459268104.db2.gz JVPXCDVWUWKFLV-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804127 459268704 /nfs/dbraw/zinc/26/87/04/459268704.db2.gz ZQLBHBSLWCSEIB-JKIFEVAISA-N 0 0 345.443 3.036 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000559941046 459286518 /nfs/dbraw/zinc/28/65/18/459286518.db2.gz JRYPLJVFOTZGSV-IRXDYDNUSA-N 0 0 334.416 3.239 10 5 EGBERN CC(C)(C(=O)N1CC(C)(C)Cc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000590994819 459290020 /nfs/dbraw/zinc/29/00/20/459290020.db2.gz PKHHPZFEWSYAJW-UHFFFAOYSA-N 0 0 342.399 3.142 10 5 EGBERN Cn1ccnc1[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000560007746 459292046 /nfs/dbraw/zinc/29/20/46/459292046.db2.gz WXACLZJANNSADI-INIZCTEOSA-N 0 0 348.366 3.406 10 5 EGBERN CCOc1ccc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000482594312 459316113 /nfs/dbraw/zinc/31/61/13/459316113.db2.gz XALRVAYBXCRBLB-CQSZACIVSA-N 0 0 346.305 3.454 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595551667 459344783 /nfs/dbraw/zinc/34/47/83/459344783.db2.gz XVKKKOOUCHJECJ-QMTHXVAHSA-N 0 0 327.331 3.309 10 5 EGBERN C[C@@H](Cc1ccsc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000524202971 459352191 /nfs/dbraw/zinc/35/21/91/459352191.db2.gz VDFNHJVYSIODEG-JTQLQIEISA-N 0 0 329.381 3.499 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000560816046 459398267 /nfs/dbraw/zinc/39/82/67/459398267.db2.gz ONGWSEDMRZKDJK-UHFFFAOYSA-N 0 0 326.308 3.394 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525040862 459411847 /nfs/dbraw/zinc/41/18/47/459411847.db2.gz BWRPJZRMBSCVMX-PKOBYXMFSA-N 0 0 340.379 3.372 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000561209572 459432359 /nfs/dbraw/zinc/43/23/59/459432359.db2.gz KMLXRPQMUXNHMZ-CQSZACIVSA-N 0 0 345.330 3.323 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1=CCCC1 ZINC000595818592 459452022 /nfs/dbraw/zinc/45/20/22/459452022.db2.gz QJGJJGOWQTZIEV-UHFFFAOYSA-N 0 0 328.372 3.028 10 5 EGBERN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485395152 459452414 /nfs/dbraw/zinc/45/24/14/459452414.db2.gz LRCGWXXZDFQZBZ-AWEZNQCLSA-N 0 0 333.363 3.037 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595839408 459461095 /nfs/dbraw/zinc/46/10/95/459461095.db2.gz FUQUSOPFWFNNPJ-HIFRSBDPSA-N 0 0 335.404 3.160 10 5 EGBERN COc1ccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595890840 459477115 /nfs/dbraw/zinc/47/71/15/459477115.db2.gz NELQLSOCGNNDNP-JQWIXIFHSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000591918719 459483643 /nfs/dbraw/zinc/48/36/43/459483643.db2.gz WTSXBYVRBYQJTJ-RNCFNFMXSA-N 0 0 345.321 3.025 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1C1CCC1 ZINC000591926305 459488211 /nfs/dbraw/zinc/48/82/11/459488211.db2.gz UQIGIWJABSCJQR-INIZCTEOSA-N 0 0 347.415 3.468 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000591944091 459493023 /nfs/dbraw/zinc/49/30/23/459493023.db2.gz IOODSDFXZOYSOM-IAGOWNOFSA-N 0 0 339.395 3.240 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@H](C)OC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591972903 459501704 /nfs/dbraw/zinc/50/17/04/459501704.db2.gz BNDBHWQYUIFXMS-XJKSGUPXSA-N 0 0 347.415 3.399 10 5 EGBERN C[C@H]1CC2(CN1c1nc3c(cc1[N+](=O)[O-])CCCC3)CCOCC2 ZINC000591991242 459507263 /nfs/dbraw/zinc/50/72/63/459507263.db2.gz HSVAFFVPTFNFQG-ZDUSSCGKSA-N 0 0 331.416 3.264 10 5 EGBERN COc1cc(Sc2n[nH]c(C3CC3)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596071369 459508753 /nfs/dbraw/zinc/50/87/53/459508753.db2.gz ZEOOVPLTBFRWJL-UHFFFAOYSA-N 0 0 326.765 3.404 10 5 EGBERN O=[N+]([O-])c1cccc(CNc2nc(C3CC3)ncc2Br)c1 ZINC000596092850 459517026 /nfs/dbraw/zinc/51/70/26/459517026.db2.gz OWGFXEVWVQUFOG-UHFFFAOYSA-N 0 0 349.188 3.059 10 5 EGBERN COc1ccc(NC(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000542030834 459521712 /nfs/dbraw/zinc/52/17/12/459521712.db2.gz SSKWZDFYEQYWCB-UHFFFAOYSA-N 0 0 347.346 3.497 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H]1c1ncon1 ZINC000596107667 459523220 /nfs/dbraw/zinc/52/32/20/459523220.db2.gz VELLSKPOHRZVPE-SNVBAGLBSA-N 0 0 339.149 3.082 10 5 EGBERN CC[C@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124587 459529228 /nfs/dbraw/zinc/52/92/28/459529228.db2.gz WVAOFCDENWDEEH-VFZGTOFNSA-N 0 0 344.795 3.244 10 5 EGBERN C[C@H](C(=O)N1CC(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000562282634 459530039 /nfs/dbraw/zinc/53/00/39/459530039.db2.gz VOLGSISVIJRHNQ-LBPRGKRZSA-N 0 0 328.343 3.463 10 5 EGBERN CC[C@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145909 459535580 /nfs/dbraw/zinc/53/55/80/459535580.db2.gz RZNHZYSTBGQMDB-VHSXEESVSA-N 0 0 344.795 3.244 10 5 EGBERN CCC[C@H](CCO)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145873 459536104 /nfs/dbraw/zinc/53/61/04/459536104.db2.gz ZAURWHLHYUAGHW-SNVBAGLBSA-N 0 0 344.795 3.245 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)[C@H](C)CO2)c1 ZINC000596153529 459540096 /nfs/dbraw/zinc/54/00/96/459540096.db2.gz HCUHSLFMVOJZOG-CJNGLKHVSA-N 0 0 342.399 3.155 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000596156042 459541495 /nfs/dbraw/zinc/54/14/95/459541495.db2.gz ZTRLIWXEQZGZFR-VGTOOOLASA-N 0 0 341.367 3.059 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596168973 459545653 /nfs/dbraw/zinc/54/56/53/459545653.db2.gz UTSVLCINGZCXMI-OGHNNQOOSA-N 0 0 343.383 3.077 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCSC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596204229 459559429 /nfs/dbraw/zinc/55/94/29/459559429.db2.gz AWENSABTKFGUMN-VIFPVBQESA-N 0 0 344.820 3.224 10 5 EGBERN COc1cc(NCc2nnc(SC)s2)c(Cl)cc1[N+](=O)[O-] ZINC000596204343 459559790 /nfs/dbraw/zinc/55/97/90/459559790.db2.gz UBLXOSKFTMAAST-UHFFFAOYSA-N 0 0 346.821 3.442 10 5 EGBERN CC[C@@]1(CO)CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596211141 459561224 /nfs/dbraw/zinc/56/12/24/459561224.db2.gz YZZAZKPYTXNJLT-OAHLLOKOSA-N 0 0 328.796 3.246 10 5 EGBERN CC(=O)N1c2cc([N+](=O)[O-])ccc2CCc2ccc([N+](=O)[O-])cc21 ZINC000498050539 459567035 /nfs/dbraw/zinc/56/70/35/459567035.db2.gz MGSZTIMBTHAAPQ-UHFFFAOYSA-N 0 0 327.296 3.286 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@@]2(C1)CCCOC2 ZINC000596227239 459567279 /nfs/dbraw/zinc/56/72/79/459567279.db2.gz TUOSEERBJPZFSK-CQSZACIVSA-N 0 0 341.205 3.364 10 5 EGBERN COC(=O)Cc1ccc(NCc2oc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000596239687 459571032 /nfs/dbraw/zinc/57/10/32/459571032.db2.gz JKZKIHQAQVAIJM-UHFFFAOYSA-N 0 0 347.371 3.342 10 5 EGBERN CCC[C@]1(CO)CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596238290 459571707 /nfs/dbraw/zinc/57/17/07/459571707.db2.gz GZHMOSHGNGVBBN-HNNXBMFYSA-N 0 0 328.796 3.246 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1cc(C(F)(F)F)on1)CCCC2 ZINC000596253973 459576040 /nfs/dbraw/zinc/57/60/40/459576040.db2.gz JJPFMLQZBCVULF-UHFFFAOYSA-N 0 0 342.277 3.488 10 5 EGBERN COCC1(CCNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596287781 459585954 /nfs/dbraw/zinc/58/59/54/459585954.db2.gz ZNDUVVLLVBPJDE-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000572997505 459609405 /nfs/dbraw/zinc/60/94/05/459609405.db2.gz XLZGFRDKMXUOTN-BJOHPYRUSA-N 0 0 342.345 3.488 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592515576 459620721 /nfs/dbraw/zinc/62/07/21/459620721.db2.gz IMZKAXYLJRKMFC-JSGCOSHPSA-N 0 0 332.322 3.038 10 5 EGBERN CC[C@@H](NC(=O)N(C)CC1=CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000596451811 459642094 /nfs/dbraw/zinc/64/20/94/459642094.db2.gz BYOTYDAWOAEGIY-OAHLLOKOSA-N 0 0 335.429 3.361 10 5 EGBERN CC[C@@H](NC(=O)N(C)CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000596455454 459642561 /nfs/dbraw/zinc/64/25/61/459642561.db2.gz RNJXPQYZWWRERT-MRXNPFEDSA-N 0 0 333.388 3.034 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)[C@H]1O ZINC000596470388 459647959 /nfs/dbraw/zinc/64/79/59/459647959.db2.gz UANMDKHILNCKDA-MCBXIFIFSA-N 0 0 327.384 3.110 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000596470816 459648334 /nfs/dbraw/zinc/64/83/34/459648334.db2.gz QPVQUXSPHZPGJA-MWLCHTKSSA-N 0 0 327.768 3.327 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000596470817 459648444 /nfs/dbraw/zinc/64/84/44/459648444.db2.gz QPVQUXSPHZPGJA-ONGXEEELSA-N 0 0 327.768 3.327 10 5 EGBERN Cc1cccc(C[C@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000527500432 459649602 /nfs/dbraw/zinc/64/96/02/459649602.db2.gz LAXLLIQOIKSCKS-OAHLLOKOSA-N 0 0 337.379 3.467 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596482239 459652119 /nfs/dbraw/zinc/65/21/19/459652119.db2.gz HUQHUZPRTFXHNU-IAGOWNOFSA-N 0 0 343.383 3.475 10 5 EGBERN COc1cc(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596490131 459654990 /nfs/dbraw/zinc/65/49/90/459654990.db2.gz ZWRUPYZKWGEYPM-HIFRSBDPSA-N 0 0 330.388 3.160 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000596495278 459656028 /nfs/dbraw/zinc/65/60/28/459656028.db2.gz SLHQJGXVOBKVOP-CABCVRRESA-N 0 0 347.415 3.232 10 5 EGBERN COC(=O)C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000596494426 459656081 /nfs/dbraw/zinc/65/60/81/459656081.db2.gz YTXCKHAGRHZXFC-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H]1C ZINC000592659023 459656415 /nfs/dbraw/zinc/65/64/15/459656415.db2.gz FJKJFDXEAVRAHZ-GZBFAFLISA-N 0 0 348.399 3.096 10 5 EGBERN Cc1c(Br)c(N2CC[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000596495888 459657015 /nfs/dbraw/zinc/65/70/15/459657015.db2.gz YEQYLJSONVALNH-BDAKNGLRSA-N 0 0 344.209 3.064 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1C[C@@H](O)C12CCC2 ZINC000596513283 459662187 /nfs/dbraw/zinc/66/21/87/459662187.db2.gz UFQHTGHATNQFAI-NWDGAFQWSA-N 0 0 327.178 3.073 10 5 EGBERN CC(C)[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000596517587 459663914 /nfs/dbraw/zinc/66/39/14/459663914.db2.gz PCZACUDKBYIPEH-DLBZAZTESA-N 0 0 333.363 3.486 10 5 EGBERN CC(C)(C)N1C[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000596519911 459664710 /nfs/dbraw/zinc/66/47/10/459664710.db2.gz NCEHIMPEWMIEJL-GFCCVEGCSA-N 0 0 342.399 3.202 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000596529383 459668302 /nfs/dbraw/zinc/66/83/02/459668302.db2.gz RMDAQPZDSWQLNY-OLZOCXBDSA-N 0 0 331.397 3.191 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596558555 459676135 /nfs/dbraw/zinc/67/61/35/459676135.db2.gz QQFDXGCCRJJHPZ-NSHDSACASA-N 0 0 341.289 3.301 10 5 EGBERN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000543632041 459678013 /nfs/dbraw/zinc/67/80/13/459678013.db2.gz QEHJUQHLRDZBRA-QGZVFWFLSA-N 0 0 328.368 3.249 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000596563952 459678446 /nfs/dbraw/zinc/67/84/46/459678446.db2.gz YAPXNSWLCNOPEP-UHFFFAOYSA-N 0 0 338.408 3.044 10 5 EGBERN C[C@@H](O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000596567755 459679112 /nfs/dbraw/zinc/67/91/12/459679112.db2.gz VOOYZMJFTFOGER-ADLMAVQZSA-N 0 0 341.367 3.014 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3COC[C@@H]3c3ccccc3)n2)o1 ZINC000596600795 459693155 /nfs/dbraw/zinc/69/31/55/459693155.db2.gz JVPHUACHRYXWOZ-VXGBXAGGSA-N 0 0 327.296 3.135 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000592852001 459703753 /nfs/dbraw/zinc/70/37/53/459703753.db2.gz DOWGDLYHKGDAMS-QGZVFWFLSA-N 0 0 338.404 3.053 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000501094750 459711187 /nfs/dbraw/zinc/71/11/87/459711187.db2.gz OEFNJJMFCFAKJD-ABAIWWIYSA-N 0 0 335.404 3.127 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOc2cccc(F)c2)c1 ZINC000543902268 459711567 /nfs/dbraw/zinc/71/15/67/459711567.db2.gz KPJDHHIUIQFEAO-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592949579 459722833 /nfs/dbraw/zinc/72/28/33/459722833.db2.gz JVQGLIDMYLNWIP-UHFFFAOYSA-N 0 0 330.388 3.088 10 5 EGBERN Cc1ccc([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000592970101 459725197 /nfs/dbraw/zinc/72/51/97/459725197.db2.gz BIICBJOUMHNJAQ-KRWDZBQOSA-N 0 0 343.383 3.316 10 5 EGBERN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000592977496 459727276 /nfs/dbraw/zinc/72/72/76/459727276.db2.gz NCBBWMNOPROYRL-RDJZCZTQSA-N 0 0 341.367 3.150 10 5 EGBERN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000544123707 459731420 /nfs/dbraw/zinc/73/14/20/459731420.db2.gz NHAZRNHVHFXOMP-SNVBAGLBSA-N 0 0 342.417 3.144 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593057044 459757676 /nfs/dbraw/zinc/75/76/76/459757676.db2.gz JLQNQUBBEIGNHF-VOJFVSQTSA-N 0 0 328.343 3.326 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000596826134 459772395 /nfs/dbraw/zinc/77/23/95/459772395.db2.gz KZTPXCVLFLDXAE-HNNXBMFYSA-N 0 0 339.342 3.314 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000544838958 459786875 /nfs/dbraw/zinc/78/68/75/459786875.db2.gz NQRAMJUPWDDKJK-CYBMUJFWSA-N 0 0 326.418 3.184 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2ccc(F)cn2)c1 ZINC000593183789 459799526 /nfs/dbraw/zinc/79/95/26/459799526.db2.gz JLIRXXQNPRDDBW-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593219060 459810700 /nfs/dbraw/zinc/81/07/00/459810700.db2.gz WYQBEQVVGWRSBM-AWEZNQCLSA-N 0 0 325.315 3.420 10 5 EGBERN Nc1c(NC(=O)N2CCC[C@H](CCF)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091021 459835902 /nfs/dbraw/zinc/83/59/02/459835902.db2.gz AXXOWOJHVFSQOB-SECBINFHSA-N 0 0 344.774 3.434 10 5 EGBERN CSCCCN(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093895 459836128 /nfs/dbraw/zinc/83/61/28/459836128.db2.gz ZRLOSZIMSVONGB-UHFFFAOYSA-N 0 0 332.813 3.047 10 5 EGBERN CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098131 459836269 /nfs/dbraw/zinc/83/62/69/459836269.db2.gz SBLYPPGLPFWLBY-LDYMZIIASA-N 0 0 326.784 3.483 10 5 EGBERN Nc1c(NC(=O)N[C@@H]2CCC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093978 459836356 /nfs/dbraw/zinc/83/63/56/459836356.db2.gz AGXCFHGLWWXZEO-SSDOTTSWSA-N 0 0 334.710 3.140 10 5 EGBERN O=C(NC1(C2CCC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593308129 459836890 /nfs/dbraw/zinc/83/68/90/459836890.db2.gz ZQBOYZHKWUZDQS-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593314011 459837904 /nfs/dbraw/zinc/83/79/04/459837904.db2.gz DNCIKCICRWMCRM-IINYFYTJSA-N 0 0 325.315 3.097 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593315636 459838949 /nfs/dbraw/zinc/83/89/49/459838949.db2.gz JRZWTKXRDMUXMS-HNNXBMFYSA-N 0 0 327.384 3.120 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)(C)c1ccccc1 ZINC000585740326 459839044 /nfs/dbraw/zinc/83/90/44/459839044.db2.gz VDPMQKCZDUREDY-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN COc1ccc(C(=O)N2CCOc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC000593317319 459839928 /nfs/dbraw/zinc/83/99/28/459839928.db2.gz UMUQDHLCHAZWFQ-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN O=C(NCC(O)(C1CC1)C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598288610 459850436 /nfs/dbraw/zinc/85/04/36/459850436.db2.gz LHBHXNZJMVZLAL-UHFFFAOYSA-N 0 0 346.408 3.090 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000598295912 459851808 /nfs/dbraw/zinc/85/18/08/459851808.db2.gz IOXZCEWXIWRHMX-GJZGRUSLSA-N 0 0 347.415 3.154 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598295006 459851971 /nfs/dbraw/zinc/85/19/71/459851971.db2.gz DFIWPTYUZLNAGN-GJZGRUSLSA-N 0 0 332.400 3.451 10 5 EGBERN Cc1sc(C(=O)N2CCC([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000598306528 459857258 /nfs/dbraw/zinc/85/72/58/459857258.db2.gz PLICAFXJMLYVGD-CQSZACIVSA-N 0 0 338.429 3.386 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598309333 459859586 /nfs/dbraw/zinc/85/95/86/459859586.db2.gz ONJSXYSMBGDOAE-WMLDXEAASA-N 0 0 332.400 3.325 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593354451 459860724 /nfs/dbraw/zinc/86/07/24/459860724.db2.gz SAYLDXLRQRTSFB-ZDUSSCGKSA-N 0 0 330.718 3.428 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000598317095 459863554 /nfs/dbraw/zinc/86/35/54/459863554.db2.gz CWWFZDDEVDVMSZ-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000597198157 459873071 /nfs/dbraw/zinc/87/30/71/459873071.db2.gz HRFZSVNTPAPHGK-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN Cc1nc([C@@H]2CCOC2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000602232381 459873551 /nfs/dbraw/zinc/87/35/51/459873551.db2.gz GPEQLTLTKTYYCD-LLVKDONJSA-N 0 0 347.396 3.140 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598348040 459874005 /nfs/dbraw/zinc/87/40/05/459874005.db2.gz IGJFQEJKDTVHTO-MOPGFXCFSA-N 0 0 342.395 3.012 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@]12CCC[C@H]1OCC2 ZINC000602244057 459876416 /nfs/dbraw/zinc/87/64/16/459876416.db2.gz VSKBVKNTIANRMM-DOMZBBRYSA-N 0 0 342.298 3.094 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000598354629 459876768 /nfs/dbraw/zinc/87/67/68/459876768.db2.gz YAFVRYOGASZOFP-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598354321 459876925 /nfs/dbraw/zinc/87/69/25/459876925.db2.gz RQYKHLLAFUVXDP-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598366243 459879691 /nfs/dbraw/zinc/87/96/91/459879691.db2.gz IYUQORZHCOMJDP-ZBOXLXRLSA-N 0 0 326.343 3.309 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000602274298 459881427 /nfs/dbraw/zinc/88/14/27/459881427.db2.gz RLDPGBBSPGEALN-AWEZNQCLSA-N 0 0 334.401 3.344 10 5 EGBERN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)c1ccccc1 ZINC000586834533 459884082 /nfs/dbraw/zinc/88/40/82/459884082.db2.gz VGRLBLHETZTIRF-UHFFFAOYSA-N 0 0 342.351 3.331 10 5 EGBERN CC(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(C1CC1)C1CC1 ZINC000598382042 459884288 /nfs/dbraw/zinc/88/42/88/459884288.db2.gz VMQYQTMYCBTQBZ-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN CC(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)(C1CC1)C1CC1 ZINC000598381981 459884438 /nfs/dbraw/zinc/88/44/38/459884438.db2.gz UWMDDYYZCLSSOO-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN CO[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000598393402 459886663 /nfs/dbraw/zinc/88/66/63/459886663.db2.gz HUNQWGYREPYZFN-CQSZACIVSA-N 0 0 340.807 3.492 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000608853350 459891472 /nfs/dbraw/zinc/89/14/72/459891472.db2.gz HCVKUAUKAFAWPY-UHFFFAOYSA-N 0 0 329.278 3.491 10 5 EGBERN Nc1cc(N2CCC[C@H]2Cc2cccc(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000587325621 459892121 /nfs/dbraw/zinc/89/21/21/459892121.db2.gz JFOQXQZLNIANQM-HNNXBMFYSA-N 0 0 345.374 3.020 10 5 EGBERN CC[C@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608909357 459893864 /nfs/dbraw/zinc/89/38/64/459893864.db2.gz YAAIFLTYHRXYBU-KRWDZBQOSA-N 0 0 330.384 3.251 10 5 EGBERN Nc1cc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc(CO)c1[N+](=O)[O-] ZINC000587784343 459895501 /nfs/dbraw/zinc/89/55/01/459895501.db2.gz CAJQFPHHZOHULJ-DLBZAZTESA-N 0 0 343.383 3.002 10 5 EGBERN C[C@]1(c2ccccc2)CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587977860 459896975 /nfs/dbraw/zinc/89/69/75/459896975.db2.gz KPVNQWBRBBNUFC-IBGZPJMESA-N 0 0 341.411 3.227 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000608974563 459897211 /nfs/dbraw/zinc/89/72/11/459897211.db2.gz KHFCFOOQYIGRHA-GFCCVEGCSA-N 0 0 332.791 3.004 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@@]12CCCO2 ZINC000593468350 459898516 /nfs/dbraw/zinc/89/85/16/459898516.db2.gz SENLYUZBUOFXKA-KURKYZTESA-N 0 0 343.383 3.282 10 5 EGBERN Nc1cc(NC[C@@H]2SCCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000587992820 459899103 /nfs/dbraw/zinc/89/91/03/459899103.db2.gz DGHIKQATHZFJAX-INIZCTEOSA-N 0 0 345.424 3.112 10 5 EGBERN CC[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1F ZINC000587992076 459899379 /nfs/dbraw/zinc/89/93/79/459899379.db2.gz WFJZNAINKTTXSH-ZDUSSCGKSA-N 0 0 349.362 3.078 10 5 EGBERN C[C@@H]1[C@H](c2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587994019 459899800 /nfs/dbraw/zinc/89/98/00/459899800.db2.gz KDLLBBRGXBXCRA-MLGOLLRUSA-N 0 0 327.384 3.052 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593473422 459900057 /nfs/dbraw/zinc/90/00/57/459900057.db2.gz DFNMNJVXUFMSIS-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609030496 459900405 /nfs/dbraw/zinc/90/04/05/459900405.db2.gz RCWSFVPRNPPKDL-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000546167952 459901212 /nfs/dbraw/zinc/90/12/12/459901212.db2.gz ZTAOKGLGDAEJHV-CQSZACIVSA-N 0 0 348.424 3.208 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000598458007 459903192 /nfs/dbraw/zinc/90/31/92/459903192.db2.gz OQTQDKYPSSOIFC-HYVNUMGLSA-N 0 0 326.327 3.110 10 5 EGBERN COc1cc(NC[C@]2(CO)CCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000593485557 459903342 /nfs/dbraw/zinc/90/33/42/459903342.db2.gz YTVYMKUKNFFRCR-SFHVURJKSA-N 0 0 346.358 3.031 10 5 EGBERN Nc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588018260 459903610 /nfs/dbraw/zinc/90/36/10/459903610.db2.gz SPKVELMJEPIYIL-WMLDXEAASA-N 0 0 343.383 3.002 10 5 EGBERN Nc1cc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588027485 459904023 /nfs/dbraw/zinc/90/40/23/459904023.db2.gz JZQTZGSFDKKGJN-GDBMZVCRSA-N 0 0 341.411 3.493 10 5 EGBERN Cc1c(Br)c(N2CC[C@@H](C(F)F)C2)ncc1[N+](=O)[O-] ZINC000588040759 459905162 /nfs/dbraw/zinc/90/51/62/459905162.db2.gz OJQZHDABHLETCJ-SSDOTTSWSA-N 0 0 336.136 3.152 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000598468513 459905599 /nfs/dbraw/zinc/90/55/99/459905599.db2.gz FCDSFZKZSXFZFR-CQSZACIVSA-N 0 0 325.368 3.100 10 5 EGBERN C[C@H]1C[C@@H]1c1noc(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000593505175 459909231 /nfs/dbraw/zinc/90/92/31/459909231.db2.gz YGTKICRLPUJKOO-ONGXEEELSA-N 0 0 349.416 3.017 10 5 EGBERN Cc1cc2cc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)ccc2[nH]1 ZINC000588083415 459910197 /nfs/dbraw/zinc/91/01/97/459910197.db2.gz RRLVLCHAXHNPCS-UHFFFAOYSA-N 0 0 326.356 3.071 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593520398 459914187 /nfs/dbraw/zinc/91/41/87/459914187.db2.gz OEXSRIZVIKUNJZ-ZDUSSCGKSA-N 0 0 333.775 3.436 10 5 EGBERN CC1(C)CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598505605 459924733 /nfs/dbraw/zinc/92/47/33/459924733.db2.gz VBWBGYKPHRUXNP-UHFFFAOYSA-N 0 0 341.205 3.205 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000597348082 459925334 /nfs/dbraw/zinc/92/53/34/459925334.db2.gz DOCFCNZRZNHWNS-KBPBESRZSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000597359904 459928577 /nfs/dbraw/zinc/92/85/77/459928577.db2.gz FIUQELAYYFPLDB-CYBMUJFWSA-N 0 0 330.388 3.102 10 5 EGBERN CCOc1ccc(C(=O)NC2(COC)CCCCC2)cc1[N+](=O)[O-] ZINC000598556746 459937672 /nfs/dbraw/zinc/93/76/72/459937672.db2.gz YXEOXQKPCHEKCK-UHFFFAOYSA-N 0 0 336.388 3.073 10 5 EGBERN Cc1c(CNC(=O)C2CCC(C(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000593645644 459939874 /nfs/dbraw/zinc/93/98/74/459939874.db2.gz ZEQGZYXIFUZMJH-UHFFFAOYSA-N 0 0 334.416 3.097 10 5 EGBERN CC12CC(C1)CN2c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597406880 459942497 /nfs/dbraw/zinc/94/24/97/459942497.db2.gz OGKITDKNOUCKNP-UHFFFAOYSA-N 0 0 339.399 3.252 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1)C1CC1 ZINC000597406925 459942781 /nfs/dbraw/zinc/94/27/81/459942781.db2.gz AHADLMPXTHPGEE-UHFFFAOYSA-N 0 0 327.388 3.252 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000597410120 459943415 /nfs/dbraw/zinc/94/34/15/459943415.db2.gz JTCAAJQUOUPRNK-CQSZACIVSA-N 0 0 342.399 3.242 10 5 EGBERN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C[C@@H]1C ZINC000597409156 459943639 /nfs/dbraw/zinc/94/36/39/459943639.db2.gz RFNBRXGZSPAUQH-STQMWFEESA-N 0 0 341.415 3.356 10 5 EGBERN CC(C)(C)OC(=O)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000598575055 459946312 /nfs/dbraw/zinc/94/63/12/459946312.db2.gz BCNCKNLQFYPXRP-OAHLLOKOSA-N 0 0 348.399 3.083 10 5 EGBERN C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCO1 ZINC000597423015 459947919 /nfs/dbraw/zinc/94/79/19/459947919.db2.gz XJZQGIUTZBSRMP-SUMWQHHRSA-N 0 0 332.400 3.291 10 5 EGBERN CN(CC(=O)NCC(C)(C)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000598582233 459950994 /nfs/dbraw/zinc/95/09/94/459950994.db2.gz USCBYIYEXYWDLV-UHFFFAOYSA-N 0 0 347.337 3.126 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000593734162 459966900 /nfs/dbraw/zinc/96/69/00/459966900.db2.gz XHSQDPKPGFJGGT-UHFFFAOYSA-N 0 0 348.399 3.217 10 5 EGBERN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Cl)cn1 ZINC000609474462 459967911 /nfs/dbraw/zinc/96/79/11/459967911.db2.gz OSAGCUXHERUGRI-UHFFFAOYSA-N 0 0 345.746 3.330 10 5 EGBERN CCc1nc(Sc2nccc(C(=O)OC)c2[N+](=O)[O-])sc1C ZINC000598631451 459970595 /nfs/dbraw/zinc/97/05/95/459970595.db2.gz RCWHODQBDGQRDH-UHFFFAOYSA-N 0 0 339.398 3.255 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC12CCCC2 ZINC000593758745 459976812 /nfs/dbraw/zinc/97/68/12/459976812.db2.gz XDSIVHUUDOPYIG-UHFFFAOYSA-N 0 0 327.340 3.007 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000593758547 459976953 /nfs/dbraw/zinc/97/69/53/459976953.db2.gz WIWJGVCYTYYZNH-HNNXBMFYSA-N 0 0 349.341 3.109 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CNc2ccccc2C1 ZINC000593762219 459977847 /nfs/dbraw/zinc/97/78/47/459977847.db2.gz ANOPIIAMYBCWMO-CQSZACIVSA-N 0 0 340.383 3.370 10 5 EGBERN CC(C)(NC(=O)N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588756785 459978236 /nfs/dbraw/zinc/97/82/36/459978236.db2.gz KABPDZPPSDJVAG-LBPRGKRZSA-N 0 0 327.331 3.317 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000588757540 459979284 /nfs/dbraw/zinc/97/92/84/459979284.db2.gz YYNOOMGYVCJCAY-AWEZNQCLSA-N 0 0 339.342 3.457 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)s1 ZINC000609543595 459979378 /nfs/dbraw/zinc/97/93/78/459979378.db2.gz ZLLOAXNMOFVQBL-UHFFFAOYSA-N 0 0 344.458 3.391 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000609543532 459979409 /nfs/dbraw/zinc/97/94/09/459979409.db2.gz SDJOFYNHNRGJPR-GTNSWQLSSA-N 0 0 346.408 3.115 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CC1(F)F ZINC000598655563 459980795 /nfs/dbraw/zinc/98/07/95/459980795.db2.gz WBIQANWIXKFCQJ-JTQLQIEISA-N 0 0 347.749 3.135 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598659845 459983190 /nfs/dbraw/zinc/98/31/90/459983190.db2.gz OESCYHREWAYDIA-UHFFFAOYSA-N 0 0 337.807 3.232 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593792422 459987550 /nfs/dbraw/zinc/98/75/50/459987550.db2.gz POSWYJKUWNLKKA-KRWDZBQOSA-N 0 0 343.383 3.011 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597570140 459997421 /nfs/dbraw/zinc/99/74/21/459997421.db2.gz IRMRJLSLUPFFGU-UHFFFAOYSA-N 0 0 344.293 3.066 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC2(CC2)C1 ZINC000597572236 459998530 /nfs/dbraw/zinc/99/85/30/459998530.db2.gz XGJUTAFYAFHFHH-LLVKDONJSA-N 0 0 328.372 3.058 10 5 EGBERN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588934027 460007651 /nfs/dbraw/zinc/00/76/51/460007651.db2.gz IEAALKRDIHIWKE-WMZOPIPTSA-N 0 0 346.333 3.262 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597632188 460012546 /nfs/dbraw/zinc/01/25/46/460012546.db2.gz QLJYSODROSAHKQ-PRHODGIISA-N 0 0 343.177 3.111 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1scc2c1OCCO2 ZINC000593961488 460029250 /nfs/dbraw/zinc/02/92/50/460029250.db2.gz XPHDTPYAIMQMMQ-SECBINFHSA-N 0 0 346.364 3.019 10 5 EGBERN O=C(c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597727433 460040909 /nfs/dbraw/zinc/04/09/09/460040909.db2.gz LFQIUVMABNZEPS-GFCCVEGCSA-N 0 0 330.365 3.144 10 5 EGBERN COCc1csc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000598805259 460042957 /nfs/dbraw/zinc/04/29/57/460042957.db2.gz HJBMJWNEIBUOMX-JTQLQIEISA-N 0 0 332.381 3.394 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000609983025 460045746 /nfs/dbraw/zinc/04/57/46/460045746.db2.gz VVLJKHFCBWIQSO-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN Cc1c(CNC(=O)C[C@@H]2OCc3ccccc32)cccc1[N+](=O)[O-] ZINC000594010261 460054592 /nfs/dbraw/zinc/05/45/92/460054592.db2.gz GLRGLTBTBGAXMC-KRWDZBQOSA-N 0 0 326.352 3.181 10 5 EGBERN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC1 ZINC000598828777 460055306 /nfs/dbraw/zinc/05/53/06/460055306.db2.gz QMFWOGOXADNEKD-LBPRGKRZSA-N 0 0 332.278 3.367 10 5 EGBERN C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000589219461 460058168 /nfs/dbraw/zinc/05/81/68/460058168.db2.gz LBPDDBMBLVPKSN-DOMZBBRYSA-N 0 0 329.404 3.405 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610186955 460076804 /nfs/dbraw/zinc/07/68/04/460076804.db2.gz RZEFXAJZKYPWGZ-CVEARBPZSA-N 0 0 340.379 3.355 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000610190788 460077891 /nfs/dbraw/zinc/07/78/91/460077891.db2.gz FKYKDFDTJCZXGN-HUUCEWRRSA-N 0 0 332.400 3.449 10 5 EGBERN Cc1c(Cl)c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)nn1C ZINC000598879824 460080665 /nfs/dbraw/zinc/08/06/65/460080665.db2.gz ADIWQELMNRAITE-UHFFFAOYSA-N 0 0 348.790 3.273 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598881422 460082048 /nfs/dbraw/zinc/08/20/48/460082048.db2.gz RFAQCNWRVJUIAD-RDJZCZTQSA-N 0 0 332.400 3.469 10 5 EGBERN C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000598884159 460083984 /nfs/dbraw/zinc/08/39/84/460083984.db2.gz UGSILBRWVUWLJE-ZDUSSCGKSA-N 0 0 332.400 3.327 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000597863964 460084000 /nfs/dbraw/zinc/08/40/00/460084000.db2.gz KEWZPSCSIGNRKU-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1ccccn1 ZINC000597862643 460084472 /nfs/dbraw/zinc/08/44/72/460084472.db2.gz CSKLZMGENRHGLQ-ZBFHGGJFSA-N 0 0 341.411 3.478 10 5 EGBERN CC(C)(C(=O)N1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000594070043 460085918 /nfs/dbraw/zinc/08/59/18/460085918.db2.gz VVHGNNYDQVGFQY-UHFFFAOYSA-N 0 0 325.368 3.247 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3cccnc32)c1 ZINC000594072602 460086977 /nfs/dbraw/zinc/08/69/77/460086977.db2.gz UWAMPYLPNJVAFQ-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000610236655 460092030 /nfs/dbraw/zinc/09/20/30/460092030.db2.gz MFWUUHWPYCHACD-YMAMQOFZSA-N 0 0 349.431 3.133 10 5 EGBERN CCOc1ccc(C(=O)Nc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000610247127 460096749 /nfs/dbraw/zinc/09/67/49/460096749.db2.gz YEIMBRVIFJUXGR-UHFFFAOYSA-N 0 0 327.749 3.356 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)C2 ZINC000598941991 460098211 /nfs/dbraw/zinc/09/82/11/460098211.db2.gz JZSQHGIOFXCBKZ-UHFFFAOYSA-N 0 0 339.399 3.039 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1Cc2ccccc2N(C)C(=O)C1 ZINC000598946968 460099521 /nfs/dbraw/zinc/09/95/21/460099521.db2.gz JWKDZODHOBAHEL-AWEZNQCLSA-N 0 0 339.395 3.443 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000602760251 460110573 /nfs/dbraw/zinc/11/05/73/460110573.db2.gz ZBNSUOPESMVHAK-SZEUEKNRSA-N 0 0 349.390 3.493 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000597921994 460112925 /nfs/dbraw/zinc/11/29/25/460112925.db2.gz YAWHDOLGMVYJOO-ZDUSSCGKSA-N 0 0 330.359 3.332 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](COC)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000594140339 460122802 /nfs/dbraw/zinc/12/28/02/460122802.db2.gz STANOCCCIQTHFR-CYBMUJFWSA-N 0 0 338.404 3.175 10 5 EGBERN CC(C)CCN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589680478 460126279 /nfs/dbraw/zinc/12/62/79/460126279.db2.gz TUOVSSXOWDOXMK-UHFFFAOYSA-N 0 0 332.404 3.306 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599019133 460128514 /nfs/dbraw/zinc/12/85/14/460128514.db2.gz CZVZFLNDYXMGJM-LSDHHAIUSA-N 0 0 331.397 3.054 10 5 EGBERN Cc1cnc(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000576395419 460132271 /nfs/dbraw/zinc/13/22/71/460132271.db2.gz JGOOOHMOMYGLDJ-STQMWFEESA-N 0 0 335.404 3.102 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594165441 460135506 /nfs/dbraw/zinc/13/55/06/460135506.db2.gz PRPKJXJMRMSLAU-YPMHNXCESA-N 0 0 346.305 3.133 10 5 EGBERN Cc1c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599039628 460135822 /nfs/dbraw/zinc/13/58/22/460135822.db2.gz CNIXRVQDPBPQQP-KGLIPLIRSA-N 0 0 335.429 3.083 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC000594180354 460139051 /nfs/dbraw/zinc/13/90/51/460139051.db2.gz ZGFVZODSMGDONX-TZMCWYRMSA-N 0 0 336.388 3.071 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cnc(OC)c(OC)c1 ZINC000599064902 460146909 /nfs/dbraw/zinc/14/69/09/460146909.db2.gz GOCQWTWKAZRRCL-JTQLQIEISA-N 0 0 333.344 3.189 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063271 460147595 /nfs/dbraw/zinc/14/75/95/460147595.db2.gz YGFOIMDUELFNAJ-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594202978 460147946 /nfs/dbraw/zinc/14/79/46/460147946.db2.gz JBHJSQNEVXTGEO-CQSZACIVSA-N 0 0 348.399 3.215 10 5 EGBERN CC(=O)c1ccc(NCc2c(C(F)(F)F)cnn2C)c([N+](=O)[O-])c1 ZINC000599118939 460166217 /nfs/dbraw/zinc/16/62/17/460166217.db2.gz MMZCRBIWAPOWDL-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN COc1cc(NC[C@@H]2CCCN2CC(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000599134642 460170781 /nfs/dbraw/zinc/17/07/81/460170781.db2.gz ZSRLMVQBVWRFOV-VIFPVBQESA-N 0 0 349.765 3.398 10 5 EGBERN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccncc1 ZINC000610517083 460173233 /nfs/dbraw/zinc/17/32/33/460173233.db2.gz WVJRTBYFGSKOHS-LBPRGKRZSA-N 0 0 340.383 3.098 10 5 EGBERN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610526439 460176630 /nfs/dbraw/zinc/17/66/30/460176630.db2.gz MVNGSOAVHYGNMH-OLZOCXBDSA-N 0 0 345.424 3.390 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598138894 460187138 /nfs/dbraw/zinc/18/71/38/460187138.db2.gz LARKIELGEBUBPF-AWEZNQCLSA-N 0 0 348.380 3.243 10 5 EGBERN CC(C)Cc1ccccc1-c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000599181598 460190797 /nfs/dbraw/zinc/19/07/97/460190797.db2.gz HUJPXBLCJKGEAL-UHFFFAOYSA-N 0 0 327.344 3.244 10 5 EGBERN CCc1nn(C)c(N2CC[C@@H](c3ccc(OC)c(F)c3)C2)c1[N+](=O)[O-] ZINC000599192808 460194584 /nfs/dbraw/zinc/19/45/84/460194584.db2.gz IBKVDWBWCSGBBZ-GFCCVEGCSA-N 0 0 348.378 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc1-c1ccccc1 ZINC000599196120 460196014 /nfs/dbraw/zinc/19/60/14/460196014.db2.gz NCMQXTKENVYFKT-JCKWVBRZSA-N 0 0 325.368 3.006 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000598205797 460203469 /nfs/dbraw/zinc/20/34/69/460203469.db2.gz AAJBGDLSWGWJSH-HOTGVXAUSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598207729 460204387 /nfs/dbraw/zinc/20/43/87/460204387.db2.gz KTWPJZVWJLYKSZ-ZFWWWQNUSA-N 0 0 344.342 3.036 10 5 EGBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1(F)F ZINC000598213518 460205974 /nfs/dbraw/zinc/20/59/74/460205974.db2.gz CBZPLSCXPQTIEA-NSHDSACASA-N 0 0 338.232 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(-n2cncn2)c1 ZINC000610664618 460208222 /nfs/dbraw/zinc/20/82/22/460208222.db2.gz VOSZKGYJJFLZET-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@]1(C)CC1(F)F ZINC000598219053 460209388 /nfs/dbraw/zinc/20/93/88/460209388.db2.gz KLHCDDOBOAPJOI-CQSZACIVSA-N 0 0 328.315 3.159 10 5 EGBERN Cc1ccc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000598230900 460215310 /nfs/dbraw/zinc/21/53/10/460215310.db2.gz QJTPGULGVMOZQB-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CO[C@]1(C(F)(F)F)CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000614830263 460230698 /nfs/dbraw/zinc/23/06/98/460230698.db2.gz ULVFAWMKIONAIF-CYBMUJFWSA-N 0 0 333.310 3.154 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000610924140 460261598 /nfs/dbraw/zinc/26/15/98/460261598.db2.gz MHBSGWJKHDMVDJ-UHFFFAOYSA-N 0 0 342.399 3.064 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CC3)CC2)cc1C ZINC000599509786 460265345 /nfs/dbraw/zinc/26/53/45/460265345.db2.gz RBIGXDWRCSWOOS-UHFFFAOYSA-N 0 0 338.429 3.166 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000615038877 460265872 /nfs/dbraw/zinc/26/58/72/460265872.db2.gz QBHGVDFWINYFKB-NSHDSACASA-N 0 0 329.303 3.139 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000610981868 460271092 /nfs/dbraw/zinc/27/10/92/460271092.db2.gz OJALWUJCVWWNHS-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN COC(=O)c1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000610995186 460274903 /nfs/dbraw/zinc/27/49/03/460274903.db2.gz VJUKPQGCHHECRX-UHFFFAOYSA-N 0 0 344.367 3.447 10 5 EGBERN COC(=O)[C@](C)(NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599642792 460296009 /nfs/dbraw/zinc/29/60/09/460296009.db2.gz KBFUKZBVZKDDBP-GOSISDBHSA-N 0 0 328.368 3.081 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(F)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000599648739 460297610 /nfs/dbraw/zinc/29/76/10/460297610.db2.gz DRRYUMVNGZXUIR-SFHVURJKSA-N 0 0 346.358 3.220 10 5 EGBERN CCc1cccc(CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 ZINC000599655702 460299976 /nfs/dbraw/zinc/29/99/76/460299976.db2.gz WJLWCCNFHSJWHT-IBGZPJMESA-N 0 0 342.395 3.335 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H](C2CC2)C1 ZINC000599833068 460343998 /nfs/dbraw/zinc/34/39/98/460343998.db2.gz OBZRUZFYMDKAEV-GFCCVEGCSA-N 0 0 326.356 3.407 10 5 EGBERN CO[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1(C)C ZINC000599832042 460344073 /nfs/dbraw/zinc/34/40/73/460344073.db2.gz SBIIRDHANFQPMH-LSDHHAIUSA-N 0 0 344.371 3.078 10 5 EGBERN CCO[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000599843352 460347156 /nfs/dbraw/zinc/34/71/56/460347156.db2.gz HADLVHWANMLNCT-CYBMUJFWSA-N 0 0 348.321 3.291 10 5 EGBERN C[C@@H](NC(=O)CCOc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000611377939 460348587 /nfs/dbraw/zinc/34/85/87/460348587.db2.gz UUYBQYRDAOQJRU-GFCCVEGCSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000619419407 460350880 /nfs/dbraw/zinc/35/08/80/460350880.db2.gz MKAYNJHJGBKSKA-STQMWFEESA-N 0 0 349.406 3.261 10 5 EGBERN CC1(C)CC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600116626 460388974 /nfs/dbraw/zinc/38/89/74/460388974.db2.gz YZTFXKZDSJMZER-UHFFFAOYSA-N 0 0 327.178 3.276 10 5 EGBERN CCCOCc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525795 460389247 /nfs/dbraw/zinc/38/92/47/460389247.db2.gz SOZJJBTYDPZFOE-UHFFFAOYSA-N 0 0 345.399 3.208 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Cl)o2)c1 ZINC000619582982 460389928 /nfs/dbraw/zinc/38/99/28/460389928.db2.gz INSIHEWIWVFDDF-UHFFFAOYSA-N 0 0 338.747 3.235 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3/C=C\c3ccccc3)nn21 ZINC000611541450 460393508 /nfs/dbraw/zinc/39/35/08/460393508.db2.gz ICLKIUWCXXBGIB-WHLNPGIBSA-N 0 0 335.367 3.320 10 5 EGBERN Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1C ZINC000619613709 460397630 /nfs/dbraw/zinc/39/76/30/460397630.db2.gz JBGJSTXJHYMNQH-INIZCTEOSA-N 0 0 331.397 3.130 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600161065 460414358 /nfs/dbraw/zinc/41/43/58/460414358.db2.gz HTEPQNOZAVBHTC-IJEWVQPXSA-N 0 0 343.427 3.361 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCOC1 ZINC000600163610 460415508 /nfs/dbraw/zinc/41/55/08/460415508.db2.gz ANZTYIUWRQGXPO-JKSUJKDBSA-N 0 0 334.416 3.096 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(CO)c(C)cc2C)cc1[N+](=O)[O-] ZINC000615895358 460421005 /nfs/dbraw/zinc/42/10/05/460421005.db2.gz ZGAPLZSECYUQMC-UHFFFAOYSA-N 0 0 344.367 3.355 10 5 EGBERN Cc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1O ZINC000611659575 460423395 /nfs/dbraw/zinc/42/33/95/460423395.db2.gz LNCZVASNZYFUOA-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@@H](CCF)C2)o1 ZINC000600205967 460438895 /nfs/dbraw/zinc/43/88/95/460438895.db2.gz VUVUYAHSDHFTRK-ZDUSSCGKSA-N 0 0 334.347 3.415 10 5 EGBERN O=C(Nc1cnoc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000604542328 460443312 /nfs/dbraw/zinc/44/33/12/460443312.db2.gz NAZIARMWUSRNQS-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000619871039 460458184 /nfs/dbraw/zinc/45/81/84/460458184.db2.gz GAKLRGVKKAFXOQ-RYUDHWBXSA-N 0 0 331.759 3.177 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000619871799 460458693 /nfs/dbraw/zinc/45/86/93/460458693.db2.gz ZNUNNYHAYCNTEG-BBRMVZONSA-N 0 0 348.362 3.072 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CCC(C)C ZINC000600306996 460469173 /nfs/dbraw/zinc/46/91/73/460469173.db2.gz NKKRQYSMDIUBFJ-GFCCVEGCSA-N 0 0 328.796 3.084 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600393380 460488837 /nfs/dbraw/zinc/48/88/37/460488837.db2.gz MNOIGVNPFOBNEF-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cccc(C3CCOCC3)c2)c1[N+](=O)[O-] ZINC000600428838 460494159 /nfs/dbraw/zinc/49/41/59/460494159.db2.gz XMRKTKRLAQQDCQ-UHFFFAOYSA-N 0 0 344.371 3.027 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000600442453 460496273 /nfs/dbraw/zinc/49/62/73/460496273.db2.gz PPNGGJGZNWAQHH-QSDJMHMYSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000600442438 460496926 /nfs/dbraw/zinc/49/69/26/460496926.db2.gz PPNGGJGZNWAQHH-JIXVBMEVSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1nn(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000600508155 460507045 /nfs/dbraw/zinc/50/70/45/460507045.db2.gz ISIHZAYFNJZAHQ-QWRGUYRKSA-N 0 0 333.310 3.346 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@@H]2COC(C)(C)C2)c1 ZINC000600573732 460529328 /nfs/dbraw/zinc/52/93/28/460529328.db2.gz SPXCFOYEJNJTNW-LBPRGKRZSA-N 0 0 325.386 3.182 10 5 EGBERN Cc1cc(Nc2ncnc3ccc([N+](=O)[O-])cc32)nn1[C@H](C)C1CC1 ZINC000612094702 460537624 /nfs/dbraw/zinc/53/76/24/460537624.db2.gz RTFLFVNBZPNZOY-LLVKDONJSA-N 0 0 338.371 3.179 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1(C(F)(F)F)CC1 ZINC000601164238 460737507 /nfs/dbraw/zinc/73/75/07/460737507.db2.gz ABFOKTAWGMPQEL-UHFFFAOYSA-N 0 0 332.204 3.102 10 5 EGBERN CCOC[C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601173124 460740597 /nfs/dbraw/zinc/74/05/97/460740597.db2.gz RURWIGOARVTOQG-OAHLLOKOSA-N 0 0 346.427 3.292 10 5 EGBERN COC(=O)C(C)(C)CSc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000601212922 460752131 /nfs/dbraw/zinc/75/21/31/460752131.db2.gz RMJLUWAVBRBOSM-UHFFFAOYSA-N 0 0 338.307 3.300 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3cccnc3)C2)c1 ZINC000601216937 460754243 /nfs/dbraw/zinc/75/42/43/460754243.db2.gz JVHVYIWFJLNJKM-HNNXBMFYSA-N 0 0 341.367 3.160 10 5 EGBERN Cc1ncc([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601228638 460757357 /nfs/dbraw/zinc/75/73/57/460757357.db2.gz RACSJMNKCDBNHB-YFKPBYRVSA-N 0 0 335.311 3.285 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000617149161 460759398 /nfs/dbraw/zinc/75/93/98/460759398.db2.gz GYNFRUCJTYRSDZ-UHFFFAOYSA-N 0 0 349.350 3.365 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000601234973 460759821 /nfs/dbraw/zinc/75/98/21/460759821.db2.gz KIOIQNDXTLCMQB-UONOGXRCSA-N 0 0 344.371 3.140 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2cccc(C)c2)c([N+](=O)[O-])s1 ZINC000601313135 460785328 /nfs/dbraw/zinc/78/53/28/460785328.db2.gz QJCNIVZQHPOJEV-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccncc1 ZINC000601392854 460803326 /nfs/dbraw/zinc/80/33/26/460803326.db2.gz VALWQQAIGGWRKC-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN CC[C@@]1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601510884 460823495 /nfs/dbraw/zinc/82/34/95/460823495.db2.gz AEZKWFGKPZHUCB-KRWDZBQOSA-N 0 0 332.400 3.044 10 5 EGBERN Cc1cccc(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601543636 460828311 /nfs/dbraw/zinc/82/83/11/460828311.db2.gz YKAJELVRRQURJP-UHFFFAOYSA-N 0 0 339.395 3.079 10 5 EGBERN CO[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C12CCC2 ZINC000601631965 460852526 /nfs/dbraw/zinc/85/25/26/460852526.db2.gz JMCOVPBOKDMYLX-HZPDHXFCSA-N 0 0 344.411 3.090 10 5 EGBERN C[C@H](C(=O)N1CCC(CCF)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000601747285 460889205 /nfs/dbraw/zinc/88/92/05/460889205.db2.gz LOYXDBXBLYXBPH-NSHDSACASA-N 0 0 326.343 3.436 10 5 EGBERN C[C@](CO)(NC(=O)[C@@H]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000601780803 460895953 /nfs/dbraw/zinc/89/59/53/460895953.db2.gz UTHXSAMTZFWMLK-FZKQIMNGSA-N 0 0 334.416 3.135 10 5 EGBERN C[C@](CO)(NC(=O)C1CCC(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601779352 460896410 /nfs/dbraw/zinc/89/64/10/460896410.db2.gz PXNWQRSVJIWKBQ-JFIBYHEFSA-N 0 0 346.427 3.135 10 5 EGBERN O=C(Nc1cnn2c1CCCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601830374 460914907 /nfs/dbraw/zinc/91/49/07/460914907.db2.gz RZGAVYDKKNEHKP-UHFFFAOYSA-N 0 0 340.383 3.188 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c2c(nn1C)CCCC2 ZINC000601843026 460921900 /nfs/dbraw/zinc/92/19/00/460921900.db2.gz QAIKQCVPNPVXKY-UHFFFAOYSA-N 0 0 348.790 3.421 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC1(O)CCC(c2ccccc2)CC1 ZINC000601958501 460962657 /nfs/dbraw/zinc/96/26/57/460962657.db2.gz ITQLZHGRACKKLJ-UHFFFAOYSA-N 0 0 342.395 3.154 10 5 EGBERN Cc1sc(C(=O)Nc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000047709937 472760384 /nfs/dbraw/zinc/76/03/84/472760384.db2.gz SEIDONYHIHZJDU-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN COc1cccc([C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)c1 ZINC000154212014 533734034 /nfs/dbraw/zinc/73/40/34/533734034.db2.gz JSZCGWPVGUDSAS-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN Cc1nc([C@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000189780973 534610264 /nfs/dbraw/zinc/61/02/64/534610264.db2.gz KBBJSCNPLNGMBP-CVEARBPZSA-N 0 0 333.413 3.230 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCc1nccs1 ZINC000185141756 527526118 /nfs/dbraw/zinc/52/61/18/527526118.db2.gz FFJGQWATGRTHPB-VAWYXSNFSA-N 0 0 331.397 3.156 10 5 EGBERN CC(C)C[C@]1(CO)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191521780 528620911 /nfs/dbraw/zinc/62/09/11/528620911.db2.gz ZDTKZZPKLUUXSV-SFHVURJKSA-N 0 0 345.399 3.089 10 5 EGBERN CCOC[C@H]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000183975760 529014687 /nfs/dbraw/zinc/01/46/87/529014687.db2.gz WNLFOULABHGRBK-UKYUDJEDSA-N 0 0 332.400 3.273 10 5 EGBERN CCc1n[nH]c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000188146234 535996946 /nfs/dbraw/zinc/99/69/46/535996946.db2.gz BSMWWAITHLJYGA-SECBINFHSA-N 0 0 336.779 3.367 10 5 EGBERN COCCC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000179857868 536297224 /nfs/dbraw/zinc/29/72/24/536297224.db2.gz QGGTUQNXPHUTQS-SECBINFHSA-N 0 0 345.193 3.359 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000246695268 536699752 /nfs/dbraw/zinc/69/97/52/536699752.db2.gz MZWBOFMEUKATRT-KBMXLJTQSA-N 0 0 340.807 3.017 10 5 EGBERN COc1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000361709717 536789965 /nfs/dbraw/zinc/78/99/65/536789965.db2.gz ZYYXQDDHDJRATJ-UHFFFAOYSA-N 0 0 345.330 3.374 10 5 EGBERN CC(C)Oc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000726428613 574552731 /nfs/dbraw/zinc/55/27/31/574552731.db2.gz BEUHMQSAWAJTSA-UHFFFAOYSA-N 0 0 339.351 3.140 10 5 EGBERN Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])cc3C)nc12 ZINC000728344938 574741565 /nfs/dbraw/zinc/74/15/65/574741565.db2.gz UCTXYMSKVAPBOY-UHFFFAOYSA-N 0 0 325.324 3.216 10 5 EGBERN CCCC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000738600204 574853305 /nfs/dbraw/zinc/85/33/05/574853305.db2.gz FPQXBYNDRAFPHC-CYBMUJFWSA-N 0 0 348.399 3.357 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1cc([N+](=O)[O-])ccc1Cl ZINC000729862591 574893150 /nfs/dbraw/zinc/89/31/50/574893150.db2.gz IPAULDCNTBAXGU-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000730193223 574940227 /nfs/dbraw/zinc/94/02/27/574940227.db2.gz SKAFKJAQRBPLMH-SDMNGIDPSA-N 0 0 332.400 3.416 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1N ZINC000741041765 574971382 /nfs/dbraw/zinc/97/13/82/574971382.db2.gz WALDNHGZVXTVIE-UHFFFAOYSA-N 0 0 348.330 3.114 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C(/C)c1cccc(F)c1 ZINC000731977360 575228680 /nfs/dbraw/zinc/22/86/80/575228680.db2.gz JFIOIURLQMWVAE-WQLSENKSSA-N 0 0 344.342 3.462 10 5 EGBERN C/C(=C/C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000732051871 575234463 /nfs/dbraw/zinc/23/44/63/575234463.db2.gz FDVDIMQAQYGFGZ-QBFSEMIESA-N 0 0 343.358 3.366 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC2CCSCC2)c([N+](=O)[O-])c1 ZINC000733302017 575326656 /nfs/dbraw/zinc/32/66/56/575326656.db2.gz GVWAKSUKBGIJAQ-HWKANZROSA-N 0 0 336.413 3.336 10 5 EGBERN CC(C)(C)C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000734818616 575555519 /nfs/dbraw/zinc/55/55/19/575555519.db2.gz SHQIZSQDWAMVRF-UHFFFAOYSA-N 0 0 344.415 3.229 10 5 EGBERN O=C(Nc1nc(C2CC2)no1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000734879907 575567882 /nfs/dbraw/zinc/56/78/82/575567882.db2.gz BYAHOUQFFLDZRL-UHFFFAOYSA-N 0 0 330.325 3.322 10 5 EGBERN O=C(Cn1ncc2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734897317 575573097 /nfs/dbraw/zinc/57/30/97/575573097.db2.gz YCXWZFOFZOPLGV-UHFFFAOYSA-N 0 0 345.742 3.341 10 5 EGBERN CCC/C=C/C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000735211619 575622082 /nfs/dbraw/zinc/62/20/82/575622082.db2.gz QAGOETBYRIJOSB-SNAWJCMRSA-N 0 0 333.388 3.106 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CCN2CCOCCOc1ccccc1 ZINC000742257978 576763271 /nfs/dbraw/zinc/76/32/71/576763271.db2.gz QXSBWBJPJGEKNH-UHFFFAOYSA-N 0 0 328.368 3.053 10 5 EGBERN Cc1cccc(C2(O)CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1C ZINC000742415294 576781676 /nfs/dbraw/zinc/78/16/76/576781676.db2.gz BVHMFLPDAKBSPU-UHFFFAOYSA-N 0 0 341.411 3.403 10 5 EGBERN CC(C)N1C(=O)CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1(C)C ZINC000742427340 576783308 /nfs/dbraw/zinc/78/33/08/576783308.db2.gz IEOHKTUFVVQGLW-UHFFFAOYSA-N 0 0 348.428 3.040 10 5 EGBERN O=C(/C=C/C1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742590159 576791021 /nfs/dbraw/zinc/79/10/21/576791021.db2.gz OZQCWDSAKGPKEU-ZZXKWVIFSA-N 0 0 343.305 3.108 10 5 EGBERN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479669 576810051 /nfs/dbraw/zinc/81/00/51/576810051.db2.gz LFSPASNFGYRLLI-PBHICJAKSA-N 0 0 339.395 3.359 10 5 EGBERN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000745382216 576847162 /nfs/dbraw/zinc/84/71/62/576847162.db2.gz ITQHCOFWPFENIN-UHFFFAOYSA-N 0 0 345.330 3.124 10 5 EGBERN COC(=O)c1cccc(OCCSC(F)(F)F)c1[N+](=O)[O-] ZINC000877885796 1299620419 /nfs/dbraw/zinc/62/04/19/1299620419.db2.gz PBHQNVADYPQZFY-UHFFFAOYSA-N 0 0 325.264 3.013 10 5 EGBERN COc1cccc(/C=C\C(=O)OCc2cccc([N+](=O)[O-])c2)c1OC ZINC000006679472 1291052157 /nfs/dbraw/zinc/05/21/57/1291052157.db2.gz FWRMOYLGJGPCGL-KTKRTIGZSA-N 0 0 343.335 3.369 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007957353 1291096244 /nfs/dbraw/zinc/09/62/44/1291096244.db2.gz YCCOLZRALWFSJG-GJCPLJCWSA-N 0 0 346.383 3.169 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000068007983 1292180838 /nfs/dbraw/zinc/18/08/38/1292180838.db2.gz YSEMVVADWUOPBH-ZETCQYMHSA-N 0 0 327.312 3.129 10 5 EGBERN O=c1nc2c3ccccc3ncn2nc1/C=C/C=C/c1ccccc1 ZINC000095944209 1292946184 /nfs/dbraw/zinc/94/61/84/1292946184.db2.gz MWWHEDXWQFXPAH-HHLXJUMTSA-N 0 0 326.359 3.364 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CCCCC2 ZINC000174002888 1294475985 /nfs/dbraw/zinc/47/59/85/1294475985.db2.gz VTGQBURUKUVBEQ-UHFFFAOYSA-N 0 0 331.416 3.457 10 5 EGBERN C[C@@]1(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000177215713 1294660668 /nfs/dbraw/zinc/66/06/68/1294660668.db2.gz CJYQDAAOZMBIJB-INIZCTEOSA-N 0 0 348.380 3.444 10 5 EGBERN C[C@]1(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000178294124 1294727023 /nfs/dbraw/zinc/72/70/23/1294727023.db2.gz JRJXZSMRRAXSRX-CYBMUJFWSA-N 0 0 344.161 3.083 10 5 EGBERN Cc1c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178379296 1294731723 /nfs/dbraw/zinc/73/17/23/1294731723.db2.gz AGJLNRFVHFJOFR-CHWSQXEVSA-N 0 0 347.371 3.382 10 5 EGBERN Cc1cc(COC(=O)c2cccn(C(C)(C)C)c2=O)ccc1[N+](=O)[O-] ZINC000870277107 1295782190 /nfs/dbraw/zinc/78/21/90/1295782190.db2.gz UBMYXKZMMOQEGE-UHFFFAOYSA-N 0 0 344.367 3.177 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](OC)CC[C@@H]1C ZINC000870722032 1296044059 /nfs/dbraw/zinc/04/40/59/1296044059.db2.gz LBIXQFDYXOWWCE-YSVLISHTSA-N 0 0 334.416 3.189 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](OC)CC[C@@H]1C ZINC000870722030 1296044384 /nfs/dbraw/zinc/04/43/84/1296044384.db2.gz LBIXQFDYXOWWCE-LXZKKBNFSA-N 0 0 334.416 3.189 10 5 EGBERN C[C@H](C(=O)OCc1ccnn1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870742891 1296058135 /nfs/dbraw/zinc/05/81/35/1296058135.db2.gz HMEQUNICSWBRAB-VIFPVBQESA-N 0 0 325.271 3.033 10 5 EGBERN CSc1ccc(C)c(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870826684 1296105173 /nfs/dbraw/zinc/10/51/73/1296105173.db2.gz JWYIKIQDOSZXDK-UHFFFAOYSA-N 0 0 347.396 3.382 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1(Cc2ccccc2)CC1 ZINC000870827865 1296105946 /nfs/dbraw/zinc/10/59/46/1296105946.db2.gz HCJPTEONSKWIHH-UHFFFAOYSA-N 0 0 341.367 3.061 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[C@H]2CCCS2)c1F ZINC000871038254 1296190530 /nfs/dbraw/zinc/19/05/30/1296190530.db2.gz OWNRJKSBTNPNRR-SECBINFHSA-N 0 0 330.356 3.197 10 5 EGBERN Cc1nn(C)c(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c1[N+](=O)[O-] ZINC000871115304 1296228615 /nfs/dbraw/zinc/22/86/15/1296228615.db2.gz IFRANJKITWZAJF-UHFFFAOYSA-N 0 0 342.355 3.073 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871123266 1296234559 /nfs/dbraw/zinc/23/45/59/1296234559.db2.gz OXXAPJAAIBSYJZ-KBPBESRZSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccnn2CC2CCC2)c1[N+](=O)[O-] ZINC000871192328 1296265075 /nfs/dbraw/zinc/26/50/75/1296265075.db2.gz FQPCHGHQALXWKG-UHFFFAOYSA-N 0 0 332.335 3.291 10 5 EGBERN CCC(CC)(CNC(=O)c1cccc([N+](=O)[O-])c1N)C(F)(F)F ZINC000871262311 1296300626 /nfs/dbraw/zinc/30/06/26/1296300626.db2.gz BSHCOBKQQOUNMA-UHFFFAOYSA-N 0 0 333.310 3.276 10 5 EGBERN CCC(CC)(CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000871265147 1296305009 /nfs/dbraw/zinc/30/50/09/1296305009.db2.gz BFVQUVVAQARZDG-GFCCVEGCSA-N 0 0 348.321 3.113 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000871296415 1296326447 /nfs/dbraw/zinc/32/64/47/1296326447.db2.gz SNSHXDAWRNMEOV-PXAZEXFGSA-N 0 0 343.383 3.011 10 5 EGBERN C/C(=C/C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871304182 1296334333 /nfs/dbraw/zinc/33/43/33/1296334333.db2.gz YCSAKQIQNXLASA-LOFSFJRBSA-N 0 0 344.411 3.320 10 5 EGBERN CNc1c(C(=O)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871327713 1296351727 /nfs/dbraw/zinc/35/17/27/1296351727.db2.gz AIRNVGWZXBGREM-AWEZNQCLSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000871334477 1296357811 /nfs/dbraw/zinc/35/78/11/1296357811.db2.gz SNKZRJKGVKKERR-QGZVFWFLSA-N 0 0 332.400 3.467 10 5 EGBERN CC1(C)CC[C@@H](COc2ccc(Br)nc2[N+](=O)[O-])OC1 ZINC000871693860 1296483868 /nfs/dbraw/zinc/48/38/68/1296483868.db2.gz FZWDNBXGEXPCOA-VIFPVBQESA-N 0 0 345.193 3.336 10 5 EGBERN CCOC(=O)c1cccc(CNc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000871803434 1296543976 /nfs/dbraw/zinc/54/39/76/1296543976.db2.gz BYNFDAMCXINZCO-UHFFFAOYSA-N 0 0 329.356 3.395 10 5 EGBERN C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043642 1296692418 /nfs/dbraw/zinc/69/24/18/1296692418.db2.gz JPVIGRIPTNHAEQ-DOMZBBRYSA-N 0 0 343.358 3.190 10 5 EGBERN COC(=O)[C@H]1CCC[C@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000873560459 1297582695 /nfs/dbraw/zinc/58/26/95/1297582695.db2.gz UKFGXQLFMGVYNS-AVGNSLFASA-N 0 0 335.356 3.178 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000865368503 1329689352 /nfs/dbraw/zinc/68/93/52/1329689352.db2.gz UTXZPXXZZREOQP-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880753309 1301256524 /nfs/dbraw/zinc/25/65/24/1301256524.db2.gz GZFNNCATTXPWMC-YHWZYXNKSA-N 0 0 346.383 3.159 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000882085247 1301821264 /nfs/dbraw/zinc/82/12/64/1301821264.db2.gz WMTCUDUFTMHTOA-OAHLLOKOSA-N 0 0 332.381 3.437 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000882393650 1301944964 /nfs/dbraw/zinc/94/49/64/1301944964.db2.gz CGJYDCICERYSID-LBPRGKRZSA-N 0 0 346.305 3.344 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000882453593 1301975401 /nfs/dbraw/zinc/97/54/01/1301975401.db2.gz VLEYUVWJVUTTNF-ABAIWWIYSA-N 0 0 331.372 3.011 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000882643621 1302042259 /nfs/dbraw/zinc/04/22/59/1302042259.db2.gz UVSVLSDDYWNPSN-PSLIRLAXSA-N 0 0 328.315 3.046 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCc2nc(C3CC3)ncc2C1 ZINC000882659061 1302048973 /nfs/dbraw/zinc/04/89/73/1302048973.db2.gz OKFZYROPVJTKCQ-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000882912320 1302161559 /nfs/dbraw/zinc/16/15/59/1302161559.db2.gz PZCGGIOMPGOCLX-KRWDZBQOSA-N 0 0 346.427 3.193 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@H]2CCCCO2)CC1 ZINC000887089946 1303670150 /nfs/dbraw/zinc/67/01/50/1303670150.db2.gz AUMUYWAWYDGVEU-CJTWTEFWSA-N 0 0 330.384 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(F)(F)F)CC2)c1C ZINC000893230416 1305774302 /nfs/dbraw/zinc/77/43/02/1305774302.db2.gz MJOLLHCPUWTWLC-GFCCVEGCSA-N 0 0 346.305 3.005 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](c2nccs2)C1 ZINC000893524676 1305949974 /nfs/dbraw/zinc/94/99/74/1305949974.db2.gz KCYKCWSLNZEPME-SECBINFHSA-N 0 0 337.788 3.334 10 5 EGBERN C[C@H](C(=O)O[C@@H]1CO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000893649130 1306006876 /nfs/dbraw/zinc/00/68/76/1306006876.db2.gz DZOPRJABITUOKC-JCURWCKSSA-N 0 0 327.336 3.382 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nn(C)cc1Cl ZINC000893935434 1306135147 /nfs/dbraw/zinc/13/51/47/1306135147.db2.gz DEFKPXVPOXADCG-NSHDSACASA-N 0 0 336.779 3.189 10 5 EGBERN O=C(NC[C@H]1CC2(CCC2)CO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894397787 1308854319 /nfs/dbraw/zinc/85/43/19/1308854319.db2.gz ROXPVFSVHQDIOI-MRXNPFEDSA-N 0 0 344.411 3.092 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894402629 1308856099 /nfs/dbraw/zinc/85/60/99/1308856099.db2.gz PJNRPBDZZSAEQX-DOTOQJQBSA-N 0 0 346.427 3.239 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894403657 1308857104 /nfs/dbraw/zinc/85/71/04/1308857104.db2.gz WRBYEQPEGJBMIP-RCBBPTIPSA-N 0 0 330.384 3.074 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000894528253 1308938828 /nfs/dbraw/zinc/93/88/28/1308938828.db2.gz OSLZVWNZAMFPBM-AWEZNQCLSA-N 0 0 346.427 3.338 10 5 EGBERN COc1c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894654587 1309006033 /nfs/dbraw/zinc/00/60/33/1309006033.db2.gz CNYGSMPGXIXJOG-QGZVFWFLSA-N 0 0 348.399 3.073 10 5 EGBERN Cc1cc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000894665207 1309011574 /nfs/dbraw/zinc/01/15/74/1309011574.db2.gz MOQSHILBUJFULQ-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(N1CC[C@@H]([C@H]2CCCO2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894694403 1309024503 /nfs/dbraw/zinc/02/45/03/1309024503.db2.gz CZKDAGVKOAFQQJ-RHSMWYFYSA-N 0 0 344.411 3.044 10 5 EGBERN CCn1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000894900957 1309120200 /nfs/dbraw/zinc/12/02/00/1309120200.db2.gz QWCYHEFOMQBNOP-NWDGAFQWSA-N 0 0 334.763 3.207 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](N(C)C)C(F)(F)F ZINC000896109500 1309704266 /nfs/dbraw/zinc/70/42/66/1309704266.db2.gz ILSSLHPIDXUIFO-CYBMUJFWSA-N 0 0 333.310 3.092 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CO)cc1 ZINC000898592669 1310799614 /nfs/dbraw/zinc/79/96/14/1310799614.db2.gz ICSZDOYXUWOQSE-OAHLLOKOSA-N 0 0 328.368 3.295 10 5 EGBERN Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1C1CC1 ZINC000857646756 1328573855 /nfs/dbraw/zinc/57/38/55/1328573855.db2.gz MEVWZYSGUFQZHM-UHFFFAOYSA-N 0 0 340.383 3.494 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC1(Cl)Cl ZINC000857688921 1328584788 /nfs/dbraw/zinc/58/47/88/1328584788.db2.gz RMWQSYFAZOLVKG-UUSYTGMJSA-N 0 0 329.183 3.308 10 5 EGBERN C/C(=C/C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccs1 ZINC000857716247 1328590293 /nfs/dbraw/zinc/59/02/93/1328590293.db2.gz RWHXXASUXKFKPQ-XFFZJAGNSA-N 0 0 329.381 3.040 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc(F)ccc21 ZINC000857898322 1328618165 /nfs/dbraw/zinc/61/81/65/1328618165.db2.gz WMSOWLCKOLHLBU-SNVBAGLBSA-N 0 0 347.371 3.199 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1Cl ZINC000857971078 1328644522 /nfs/dbraw/zinc/64/45/22/1328644522.db2.gz WIMVISDQIDEDDM-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)nc1 ZINC000858009941 1328655345 /nfs/dbraw/zinc/65/53/45/1328655345.db2.gz WPRUWBDOKQVUDT-CYBMUJFWSA-N 0 0 331.347 3.403 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000899460540 1317045404 /nfs/dbraw/zinc/04/54/04/1317045404.db2.gz CHBKHNOLMCJFHD-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN CC(C)CCO[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000956937319 1317090088 /nfs/dbraw/zinc/09/00/88/1317090088.db2.gz FBUXRXVURPQXMU-NSHDSACASA-N 0 0 336.417 3.241 10 5 EGBERN CCSc1c[nH]c(=O)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000929802867 1328704973 /nfs/dbraw/zinc/70/49/73/1328704973.db2.gz NUBZDSQTIBCPJE-UHFFFAOYSA-N 0 0 345.380 3.010 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858209304 1328712194 /nfs/dbraw/zinc/71/21/94/1328712194.db2.gz IAEZNASPXVSGHX-LBPRGKRZSA-N 0 0 348.712 3.338 10 5 EGBERN CC(C)(C)OC(=O)NCCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858391420 1328751860 /nfs/dbraw/zinc/75/18/60/1328751860.db2.gz GYBWEUZAJNBPEA-UHFFFAOYSA-N 0 0 346.387 3.470 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(c2ccccn2)C1 ZINC000913380747 1319017524 /nfs/dbraw/zinc/01/75/24/1319017524.db2.gz VRFRUNAZZGQXQQ-OAHLLOKOSA-N 0 0 339.395 3.185 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCc2cccnc21 ZINC000913384718 1319020094 /nfs/dbraw/zinc/02/00/94/1319020094.db2.gz CMGXXJDUAFSBGE-NSHDSACASA-N 0 0 349.749 3.129 10 5 EGBERN C[C@@H]1CC[C@@H](CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)O1 ZINC000913385211 1319020441 /nfs/dbraw/zinc/02/04/41/1319020441.db2.gz TUXNYJAJOXBAMH-KOLCDFICSA-N 0 0 344.770 3.351 10 5 EGBERN CC(C)c1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)on1 ZINC000913384743 1319020642 /nfs/dbraw/zinc/02/06/42/1319020642.db2.gz DKDIAYHWGPIDEN-UHFFFAOYSA-N 0 0 341.726 3.429 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CC2(CC2(F)F)C1 ZINC000913386394 1319021606 /nfs/dbraw/zinc/02/16/06/1319021606.db2.gz SVRNFCHUSFFAJO-UHFFFAOYSA-N 0 0 348.708 3.439 10 5 EGBERN O=C(NCC[C@H]1CCSC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913423349 1319034482 /nfs/dbraw/zinc/03/44/82/1319034482.db2.gz FRANYHDVVHRRRM-QMMMGPOBSA-N 0 0 332.784 3.260 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000913759107 1319117589 /nfs/dbraw/zinc/11/75/89/1319117589.db2.gz IOBTVDZDPXIUQA-PSASIEDQSA-N 0 0 344.795 3.212 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1 ZINC000858613519 1328810479 /nfs/dbraw/zinc/81/04/79/1328810479.db2.gz YSPSMDMBJLQXMO-CYBMUJFWSA-N 0 0 348.378 3.106 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cn[nH]c2)c(Br)c1 ZINC000858620001 1328812030 /nfs/dbraw/zinc/81/20/30/1328812030.db2.gz VDBKGBZGCRZRCS-LBPRGKRZSA-N 0 0 337.177 3.422 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000914238806 1319274130 /nfs/dbraw/zinc/27/41/30/1319274130.db2.gz JZOXTXXCQNLUNF-BBRMVZONSA-N 0 0 347.415 3.447 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1ccnn1C ZINC000930317997 1328832231 /nfs/dbraw/zinc/83/22/31/1328832231.db2.gz ZJFHXJRHWWUWIG-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000930315461 1328832476 /nfs/dbraw/zinc/83/24/76/1328832476.db2.gz JSEBXRYXQFKVHF-UKRRQHHQSA-N 0 0 333.388 3.291 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C12CCC2 ZINC000858693334 1328833358 /nfs/dbraw/zinc/83/33/58/1328833358.db2.gz MEMCUOZECPEXGW-CYBMUJFWSA-N 0 0 348.403 3.334 10 5 EGBERN CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858726307 1328842285 /nfs/dbraw/zinc/84/22/85/1328842285.db2.gz BYWXQIHGABDNLW-HNNXBMFYSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@]1(Br)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000858750246 1328851477 /nfs/dbraw/zinc/85/14/77/1328851477.db2.gz QAJBAVRCCVXRMC-FWOIEVBISA-N 0 0 330.163 3.347 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000858837049 1328872208 /nfs/dbraw/zinc/87/22/08/1328872208.db2.gz KNEVBVPKDYSZOT-LBPRGKRZSA-N 0 0 332.331 3.442 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000858864366 1328879361 /nfs/dbraw/zinc/87/93/61/1328879361.db2.gz XNWKXJGOPQPJLG-OOPCZODUSA-N 0 0 338.429 3.181 10 5 EGBERN Cc1cc(NC(=O)N[C@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000930732588 1328953250 /nfs/dbraw/zinc/95/32/50/1328953250.db2.gz NUTYJLAAVSAZMB-AWEZNQCLSA-N 0 0 326.356 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC1CC1 ZINC000930862221 1328989794 /nfs/dbraw/zinc/98/97/94/1328989794.db2.gz JNVAAMIHQWOGME-AWEZNQCLSA-N 0 0 333.388 3.244 10 5 EGBERN O=C(CCOc1ccc(F)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000919070337 1322025276 /nfs/dbraw/zinc/02/52/76/1322025276.db2.gz KTCUZNDICLATFU-UHFFFAOYSA-N 0 0 325.317 3.308 10 5 EGBERN C[C@@H](Oc1ccccc1F)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000919075192 1322025783 /nfs/dbraw/zinc/02/57/83/1322025783.db2.gz NWKLRLYCZSPFNA-SECBINFHSA-N 0 0 325.317 3.306 10 5 EGBERN CCc1n[nH]c(C(=O)N2CCC[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000920981320 1322240838 /nfs/dbraw/zinc/24/08/38/1322240838.db2.gz DIJNVPULHADIDU-QGZVFWFLSA-N 0 0 328.372 3.032 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000921808249 1322401572 /nfs/dbraw/zinc/40/15/72/1322401572.db2.gz ZZJBMCPFGLLQKZ-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1sc(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922319445 1322499723 /nfs/dbraw/zinc/49/97/23/1322499723.db2.gz DTUPKNNRIXJPRC-GMSGAONNSA-N 0 0 339.291 3.231 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922403847 1322520493 /nfs/dbraw/zinc/52/04/93/1322520493.db2.gz VGRVBGVLIMFXFB-PWSUYJOCSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1n[nH]c(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000922964021 1322663694 /nfs/dbraw/zinc/66/36/94/1322663694.db2.gz CXWJAYVLPSZIDH-BXUZGUMPSA-N 0 0 342.399 3.423 10 5 EGBERN COC(=O)CCCCOC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000859636556 1329041534 /nfs/dbraw/zinc/04/15/34/1329041534.db2.gz MYJVEUCUNGVJDN-UHFFFAOYSA-N 0 0 329.736 3.057 10 5 EGBERN CC[C@H]1CO[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859649063 1329045432 /nfs/dbraw/zinc/04/54/32/1329045432.db2.gz FVIQTDUYDQRQBT-OCCSQVGLSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCc1csc([N+](=O)[O-])c1 ZINC000923720526 1322796409 /nfs/dbraw/zinc/79/64/09/1322796409.db2.gz DTQYSDWBMQAVAP-BDAKNGLRSA-N 0 0 339.291 3.200 10 5 EGBERN CC(C)C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)n1ccnc1 ZINC000923772912 1322805978 /nfs/dbraw/zinc/80/59/78/1322805978.db2.gz GABKPTKWJMQCRQ-AWEZNQCLSA-N 0 0 327.344 3.477 10 5 EGBERN Cc1c(Cc2noc([C@]34CCO[C@H]3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000923951501 1322854218 /nfs/dbraw/zinc/85/42/18/1322854218.db2.gz XVBZUTSDZZBAHV-MAUKXSAKSA-N 0 0 343.383 3.478 10 5 EGBERN C[C@@H](OC(=O)C[C@H]1CC=CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000924240978 1322949237 /nfs/dbraw/zinc/94/92/37/1322949237.db2.gz XMICMMLKPDJDAD-OLZOCXBDSA-N 0 0 332.356 3.211 10 5 EGBERN Cc1csc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1 ZINC000924356524 1322995417 /nfs/dbraw/zinc/99/54/17/1322995417.db2.gz RQWSQTYSRXNZGT-NSHDSACASA-N 0 0 335.385 3.048 10 5 EGBERN C[C@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859747040 1329069750 /nfs/dbraw/zinc/06/97/50/1329069750.db2.gz ZOVQOKPSBQYXGY-LBPRGKRZSA-N 0 0 330.384 3.275 10 5 EGBERN O=C(OC[C@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810805 1329083640 /nfs/dbraw/zinc/08/36/40/1329083640.db2.gz CJPJBBWCJFVYQC-WFASDCNBSA-N 0 0 329.352 3.456 10 5 EGBERN COC(=O)/C=C\c1ccc(Oc2cccc(C=O)c2)c([N+](=O)[O-])c1 ZINC000931265671 1329082577 /nfs/dbraw/zinc/08/25/77/1329082577.db2.gz FZDVZUZYOSWIOL-VURMDHGXSA-N 0 0 327.292 3.386 10 5 EGBERN COC(=O)CC1(COC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859810992 1329083433 /nfs/dbraw/zinc/08/34/33/1329083433.db2.gz GABSTEBBPPHXRE-UHFFFAOYSA-N 0 0 343.335 3.248 10 5 EGBERN Cc1noc(COC(=O)C2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000859821612 1329087232 /nfs/dbraw/zinc/08/72/32/1329087232.db2.gz SOTKNVLYWBMFLG-UHFFFAOYSA-N 0 0 330.340 3.130 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000931291859 1329087604 /nfs/dbraw/zinc/08/76/04/1329087604.db2.gz DEPKOJUROTXCBM-CLFYSBASSA-N 0 0 342.351 3.402 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@]2(C)Br)cc1[N+](=O)[O-] ZINC000859907088 1329109213 /nfs/dbraw/zinc/10/92/13/1329109213.db2.gz SWQMZYHPUDOBKO-PXWWUCIGSA-N 0 0 341.205 3.254 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(CF)cc1)c1cccc([N+](=O)[O-])c1 ZINC000859944990 1329115734 /nfs/dbraw/zinc/11/57/34/1329115734.db2.gz IRQVEKTVRSAFQY-SFHVURJKSA-N 0 0 346.358 3.242 10 5 EGBERN CCC[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860107251 1329149115 /nfs/dbraw/zinc/14/91/15/1329149115.db2.gz DFVCQOIWEFWOHB-ZDUSSCGKSA-N 0 0 330.384 3.277 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@H]2CSC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246145 1325095531 /nfs/dbraw/zinc/09/55/31/1325095531.db2.gz CKLFKCBAQPJIKI-BNOWGMLFSA-N 0 0 335.429 3.050 10 5 EGBERN CC(C)[S@](C)(=O)=NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000926049364 1325404471 /nfs/dbraw/zinc/40/44/71/1325404471.db2.gz FQOUUIGWOBCNPL-NRFANRHFSA-N 0 0 332.809 3.214 10 5 EGBERN C[C@@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860319181 1329304322 /nfs/dbraw/zinc/30/43/22/1329304322.db2.gz IAFDGBWIXTZQFN-DTWKUNHWSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@H](OC(=O)c1ccn(C2CCOCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000860395640 1329312683 /nfs/dbraw/zinc/31/26/83/1329312683.db2.gz JDTVPQYYPGUJRO-LBPRGKRZSA-N 0 0 345.355 3.061 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCOC2(CCC2)C1 ZINC000860505173 1329325430 /nfs/dbraw/zinc/32/54/30/1329325430.db2.gz VOZGLXKQZSYUFB-UHFFFAOYSA-N 0 0 326.352 3.143 10 5 EGBERN C[C@@H](CC(=O)OCCC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000860917881 1329369926 /nfs/dbraw/zinc/36/99/26/1329369926.db2.gz VRVNVQLIPIGLIC-JTQLQIEISA-N 0 0 330.178 3.153 10 5 EGBERN C[C@@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860993910 1329376678 /nfs/dbraw/zinc/37/66/78/1329376678.db2.gz GEVXYPUZFMEZNK-ZDUSSCGKSA-N 0 0 342.395 3.371 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(C)nnc2C)c1 ZINC000861064340 1329384099 /nfs/dbraw/zinc/38/40/99/1329384099.db2.gz IYEAMNTWAHOQTK-UHFFFAOYSA-N 0 0 333.369 3.081 10 5 EGBERN O=C(NCC[C@@H]1OCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000927662318 1328095446 /nfs/dbraw/zinc/09/54/46/1328095446.db2.gz CTKOMRSZNNRRSG-KRWDZBQOSA-N 0 0 341.367 3.420 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000928244919 1328253444 /nfs/dbraw/zinc/25/34/44/1328253444.db2.gz GNSGYYCUKPAYML-ABAIWWIYSA-N 0 0 326.352 3.208 10 5 EGBERN C[C@@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247339 1328254017 /nfs/dbraw/zinc/25/40/17/1328254017.db2.gz SLAYLRNPIKLISJ-IAQYHMDHSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000928247453 1328254500 /nfs/dbraw/zinc/25/45/00/1328254500.db2.gz VBJNXKXEIVDZQZ-GFCCVEGCSA-N 0 0 343.383 3.003 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)n1 ZINC000928389636 1328304042 /nfs/dbraw/zinc/30/40/42/1328304042.db2.gz WGHIIYPRMXDYLQ-HIFRSBDPSA-N 0 0 342.399 3.220 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000928543511 1328354478 /nfs/dbraw/zinc/35/44/78/1328354478.db2.gz LKJKHAVBPJCWDA-MRVPVSSYSA-N 0 0 333.171 3.153 10 5 EGBERN CCCN1C(=O)N(C[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)[C@@H]1CC ZINC000929006484 1328487328 /nfs/dbraw/zinc/48/73/28/1328487328.db2.gz UJUZSZREWZLQMQ-JSGCOSHPSA-N 0 0 333.388 3.151 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCSC(C)(C)C1 ZINC000929095046 1328504059 /nfs/dbraw/zinc/50/40/59/1328504059.db2.gz LMGJJWAUZAWZHW-JTQLQIEISA-N 0 0 339.417 3.399 10 5 EGBERN C[C@@H](CO)C1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000862131321 1329460964 /nfs/dbraw/zinc/46/09/64/1329460964.db2.gz YDHMDNBUTYJRTQ-ZDUSSCGKSA-N 0 0 342.395 3.229 10 5 EGBERN CC(C)(CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000862139111 1329461392 /nfs/dbraw/zinc/46/13/92/1329461392.db2.gz NUNVUHCCOLQTSL-KRWDZBQOSA-N 0 0 342.395 3.275 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCCO1 ZINC000862146745 1329462073 /nfs/dbraw/zinc/46/20/73/1329462073.db2.gz ATLCLGIYQWYCIC-DGCLKSJQSA-N 0 0 326.780 3.326 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccsc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863005932 1329522470 /nfs/dbraw/zinc/52/24/70/1329522470.db2.gz XPMIGFDXVNZNIT-QWHCGFSZSA-N 0 0 338.335 3.420 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccns1 ZINC000863612675 1329567280 /nfs/dbraw/zinc/56/72/80/1329567280.db2.gz MUPKSIFYLPIQDM-DGCLKSJQSA-N 0 0 333.413 3.497 10 5 EGBERN CC(C)(CCC(=O)NCCc1c[nH]c2c1cccc2Cl)[N+](=O)[O-] ZINC000863826528 1329583687 /nfs/dbraw/zinc/58/36/87/1329583687.db2.gz LBOLKICOKUOOBU-UHFFFAOYSA-N 0 0 337.807 3.316 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000863849932 1329585481 /nfs/dbraw/zinc/58/54/81/1329585481.db2.gz SDAFYVUIQQCXDW-UHFFFAOYSA-N 0 0 334.275 3.375 10 5 EGBERN Cc1ccc(CNc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000863984718 1329592982 /nfs/dbraw/zinc/59/29/82/1329592982.db2.gz IQSWZLULWLNMGI-UHFFFAOYSA-N 0 0 325.368 3.408 10 5 EGBERN CC1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864437460 1329614377 /nfs/dbraw/zinc/61/43/77/1329614377.db2.gz JRXQRAXOOMHBAS-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000864445023 1329614793 /nfs/dbraw/zinc/61/47/93/1329614793.db2.gz MKUFCJJEEGXGIK-QWHCGFSZSA-N 0 0 334.372 3.130 10 5 EGBERN C[C@@H](Cc1ccco1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864831366 1329645631 /nfs/dbraw/zinc/64/56/31/1329645631.db2.gz HDMIIMVPRNHSMU-ZDUSSCGKSA-N 0 0 328.368 3.357 10 5 EGBERN O=[N+]([O-])c1ccc(SC[C@H]2CC3(CO2)CCOCC3)c(F)c1 ZINC000865363407 1329689013 /nfs/dbraw/zinc/68/90/13/1329689013.db2.gz NPBLZDNJOMKVCH-GFCCVEGCSA-N 0 0 327.377 3.412 10 5 EGBERN COc1cc(C)c(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1OC ZINC000865404147 1329692136 /nfs/dbraw/zinc/69/21/36/1329692136.db2.gz DBOULEQUKRHSJK-UHFFFAOYSA-N 0 0 336.319 3.295 10 5 EGBERN COc1cccc(C[C@@H](C)Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000865537082 1329710478 /nfs/dbraw/zinc/71/04/78/1329710478.db2.gz YANCWSJTJQIHDI-LLVKDONJSA-N 0 0 334.347 3.278 10 5 EGBERN C[C@@H]1CN(c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])cc2)CCO1 ZINC000865546927 1329711810 /nfs/dbraw/zinc/71/18/10/1329711810.db2.gz KFHZWQQDOGLLKZ-LLVKDONJSA-N 0 0 332.335 3.098 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2Cc3ccccc3C3(CC3)C2)cc1F ZINC000865687060 1329729196 /nfs/dbraw/zinc/72/91/96/1329729196.db2.gz XNQNCWRXWBXUSM-UHFFFAOYSA-N 0 0 328.343 3.278 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCn3c(CC4CC4)nnc3C2)c(C(F)F)c1 ZINC000865908250 1329750926 /nfs/dbraw/zinc/75/09/26/1329750926.db2.gz YUXGNLYIMWJMRP-UHFFFAOYSA-N 0 0 349.341 3.097 10 5 EGBERN Cc1csc(CC2(O)CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n1 ZINC000865939942 1329752945 /nfs/dbraw/zinc/75/29/45/1329752945.db2.gz KQBPYDNTMQLLPK-UHFFFAOYSA-N 0 0 347.440 3.242 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H]2[C@@H](O)c2ccccc2)nc2sccn21 ZINC000866053179 1330059884 /nfs/dbraw/zinc/05/98/84/1330059884.db2.gz OUTFYUIARHJMSW-STQMWFEESA-N 0 0 344.396 3.006 10 5 EGBERN CCC(=O)c1ccc(N2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000866063559 1330061373 /nfs/dbraw/zinc/06/13/73/1330061373.db2.gz QMIYADONXBHJCI-CQSZACIVSA-N 0 0 328.315 3.048 10 5 EGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866175798 1330073708 /nfs/dbraw/zinc/07/37/08/1330073708.db2.gz NYGSDRDHWLUEKA-JTQLQIEISA-N 0 0 344.770 3.385 10 5 EGBERN Cc1ccc(CNc2ccc3nnc([C@@H]4C[C@H]4C)n3n2)cc1[N+](=O)[O-] ZINC000866181795 1330074724 /nfs/dbraw/zinc/07/47/24/1330074724.db2.gz MVAGNPUSDBBQKW-DGCLKSJQSA-N 0 0 338.371 3.076 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867646562 1330212596 /nfs/dbraw/zinc/21/25/96/1330212596.db2.gz HNUKLRGMXJLVFE-MWLCHTKSSA-N 0 0 341.205 3.205 10 5 EGBERN CCc1cc(NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000867977545 1330235519 /nfs/dbraw/zinc/23/55/19/1330235519.db2.gz KEPFWKLUCVGBRY-SFHVURJKSA-N 0 0 327.384 3.278 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000868122718 1330251873 /nfs/dbraw/zinc/25/18/73/1330251873.db2.gz QJPFSDHNHICOHU-HIFRSBDPSA-N 0 0 347.415 3.162 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000868429881 1330279641 /nfs/dbraw/zinc/27/96/41/1330279641.db2.gz KZIMCHLXYRMHHO-QWHCGFSZSA-N 0 0 334.372 3.130 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000868654946 1330306598 /nfs/dbraw/zinc/30/65/98/1330306598.db2.gz KOEGYAYFJLJSNF-NUTKFTJISA-N 0 0 347.415 3.018 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000868669184 1330311571 /nfs/dbraw/zinc/31/15/71/1330311571.db2.gz UBCAZENYEXTYEE-HNNXBMFYSA-N 0 0 347.415 3.052 10 5 EGBERN CCN(CCc1nccs1)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869052817 1330403623 /nfs/dbraw/zinc/40/36/23/1330403623.db2.gz FHNAXCXXIRRAES-UHFFFAOYSA-N 0 0 348.428 3.134 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2cccnc2)C1 ZINC000869054697 1330404040 /nfs/dbraw/zinc/40/40/40/1330404040.db2.gz HCNQXYKPGGJRHJ-PYUISTEWSA-N 0 0 337.379 3.409 10 5 EGBERN Cc1cc(C)c(COC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000869300038 1330457065 /nfs/dbraw/zinc/45/70/65/1330457065.db2.gz GVHUEQSZEMOUQZ-UHFFFAOYSA-N 0 0 330.340 3.037 10 5 EGBERN O=C(OC[C@H]1CCC[C@@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809779 1330568484 /nfs/dbraw/zinc/56/84/84/1330568484.db2.gz AGXSDHABETXRAC-XJKSGUPXSA-N 0 0 333.384 3.111 10 5 EGBERN CCO[C@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000869876486 1330580723 /nfs/dbraw/zinc/58/07/23/1330580723.db2.gz CQXOIFFVNXUEDX-WBMJQRKESA-N 0 0 337.372 3.031 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)c1c(Br)cncc1[N+](=O)[O-] ZINC000952883609 1334587744 /nfs/dbraw/zinc/58/77/44/1334587744.db2.gz XXAQSKKEJIEJAM-PSASIEDQSA-N 0 0 342.193 3.061 10 5 EGBERN Cc1cncnc1NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001184645083 1387502509 /nfs/dbraw/zinc/50/25/09/1387502509.db2.gz YJZOPENQFNNDLR-UHFFFAOYSA-N 0 0 341.293 3.236 10 5 EGBERN CC(C)Oc1nc(N(C)Cc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001184785118 1387538307 /nfs/dbraw/zinc/53/83/07/1387538307.db2.gz NKHSGPOCZHFRSX-UHFFFAOYSA-N 0 0 346.343 3.322 10 5 EGBERN CC(C)c1cc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])on1 ZINC001185346993 1387689680 /nfs/dbraw/zinc/68/96/80/1387689680.db2.gz UAXXAHWBELGRSH-UHFFFAOYSA-N 0 0 342.355 3.170 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC001324685508 1387735953 /nfs/dbraw/zinc/73/59/53/1387735953.db2.gz JDXYEKJCOCVGSL-ABAIWWIYSA-N 0 0 340.807 3.429 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[C@]1(C)c1ccccc1 ZINC001185555419 1387746842 /nfs/dbraw/zinc/74/68/42/1387746842.db2.gz QSRATJSMJDXPJD-QMTHXVAHSA-N 0 0 340.305 3.489 10 5 EGBERN COC(=O)c1cc(Nc2ncc([N+](=O)[O-])c3ccccc23)cn1C ZINC001185726166 1387785139 /nfs/dbraw/zinc/78/51/39/1387785139.db2.gz HIZHGKFYFSCJEM-UHFFFAOYSA-N 0 0 326.312 3.012 10 5 EGBERN CCC[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC001185819194 1387808136 /nfs/dbraw/zinc/80/81/36/1387808136.db2.gz JDKYTHIZRCCTET-JTQLQIEISA-N 0 0 329.194 3.363 10 5 EGBERN CC(C)c1ccc([C@@H](NC(=O)Cn2ccnc2[N+](=O)[O-])C(C)C)cc1 ZINC001189938608 1367135569 /nfs/dbraw/zinc/13/55/69/1367135569.db2.gz HOXJKTURAYXEPR-KRWDZBQOSA-N 0 0 344.415 3.428 10 5 EGBERN COC(=O)/C=C/c1ccc(OC)c(Oc2ncc([N+](=O)[O-])cc2F)c1 ZINC001186358737 1387928728 /nfs/dbraw/zinc/92/87/28/1387928728.db2.gz ILPDGRRSYHISFM-GQCTYLIASA-N 0 0 348.286 3.116 10 5 EGBERN O=C1N=NC(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)O1 ZINC001186430538 1387941143 /nfs/dbraw/zinc/94/11/43/1387941143.db2.gz CGSYTYUJJIICIQ-UHFFFAOYSA-N 0 0 340.286 3.005 10 5 EGBERN COC(=O)[C@@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCCC(C)(C)C1 ZINC001196239304 1368573821 /nfs/dbraw/zinc/57/38/21/1368573821.db2.gz ZWROZDOSYRXOIO-QGZVFWFLSA-N 0 0 338.379 3.336 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC001325410603 1387964789 /nfs/dbraw/zinc/96/47/89/1387964789.db2.gz ISROLVCCGGRJRI-ZJUUUORDSA-N 0 0 345.321 3.440 10 5 EGBERN CC[C@H](C)c1cccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001187091207 1388050091 /nfs/dbraw/zinc/05/00/91/1388050091.db2.gz OCIYVRDGOOAWIK-NSHDSACASA-N 0 0 349.412 3.499 10 5 EGBERN CN1C(=O)c2ccccc2[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001187305859 1388092272 /nfs/dbraw/zinc/09/22/72/1388092272.db2.gz JQGJKSRMWSMGNQ-QGZVFWFLSA-N 0 0 348.362 3.382 10 5 EGBERN O=[N+]([O-])c1cc2c(c(-c3nnc(Cc4ccsc4)o3)c1)OCCO2 ZINC001117223986 1371023932 /nfs/dbraw/zinc/02/39/32/1371023932.db2.gz QPMKGRRAUCHCMQ-UHFFFAOYSA-N 0 0 345.336 3.068 10 5 EGBERN CO[C@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCC1 ZINC001118457740 1371184064 /nfs/dbraw/zinc/18/40/64/1371184064.db2.gz UUNQXMYGHANKKI-CYBMUJFWSA-N 0 0 345.298 3.168 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001118735591 1371218651 /nfs/dbraw/zinc/21/86/51/1371218651.db2.gz KXDKAWKSQJIYAZ-VIIAAUOXSA-N 0 0 330.384 3.168 10 5 EGBERN O=[N+]([O-])c1c(NCc2cccc3ncccc23)nc2sccn21 ZINC001187541786 1388123420 /nfs/dbraw/zinc/12/34/20/1388123420.db2.gz OUJOSYLMVFWQEP-UHFFFAOYSA-N 0 0 325.353 3.464 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839470 1371412284 /nfs/dbraw/zinc/41/22/84/1371412284.db2.gz ZHNJYMVGOIRNDY-UWVGGRQHSA-N 0 0 343.221 3.091 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N(CCOC)Cc1ccc(C)c(C)c1 ZINC001187640948 1388134721 /nfs/dbraw/zinc/13/47/21/1388134721.db2.gz XWUYHEIPENWFAT-UHFFFAOYSA-N 0 0 346.431 3.389 10 5 EGBERN COC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC001120861250 1371788196 /nfs/dbraw/zinc/78/81/96/1371788196.db2.gz YVHLCESAYFUQBM-MRXNPFEDSA-N 0 0 342.330 3.477 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001121277553 1371918315 /nfs/dbraw/zinc/91/83/15/1371918315.db2.gz SJDLYAJTBXBVDW-UPJWGTAASA-N 0 0 338.429 3.101 10 5 EGBERN Cc1cc(N2CCc3ccnc(N(C)C)c3C2)c(F)cc1[N+](=O)[O-] ZINC001187904212 1388187778 /nfs/dbraw/zinc/18/77/78/1388187778.db2.gz MVPWXKWXQZDVMC-UHFFFAOYSA-N 0 0 330.363 3.066 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001124155915 1372680354 /nfs/dbraw/zinc/68/03/54/1372680354.db2.gz CSYLPPKTVIOWNF-SNVBAGLBSA-N 0 0 329.308 3.146 10 5 EGBERN O=C(Nc1ccc(F)cc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001124227106 1372685278 /nfs/dbraw/zinc/68/52/78/1372685278.db2.gz JTQACHDVNDLPSX-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN COc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001124372024 1372696224 /nfs/dbraw/zinc/69/62/24/1372696224.db2.gz NWZFVNJTIVFYPT-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(c1ccc2c(c1)OC(F)(F)O2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124715791 1372724134 /nfs/dbraw/zinc/72/41/34/1372724134.db2.gz RQRXYLIGWIWDRH-UHFFFAOYSA-N 0 0 348.261 3.119 10 5 EGBERN Cc1cnc(F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001125077717 1372751483 /nfs/dbraw/zinc/75/14/83/1372751483.db2.gz CMQUXXKEFIVQLH-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN COc1cc(F)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001125251549 1372763587 /nfs/dbraw/zinc/76/35/87/1372763587.db2.gz LJIMOGGKGKVZRS-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC001125273099 1372765571 /nfs/dbraw/zinc/76/55/71/1372765571.db2.gz HMGKBKJRVRMWIW-DJSGYFEHSA-N 0 0 344.342 3.460 10 5 EGBERN C[C@H](OCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001125336332 1372771869 /nfs/dbraw/zinc/77/18/69/1372771869.db2.gz GHKCMKLLNKLKEM-LBPRGKRZSA-N 0 0 332.331 3.320 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])cc1F ZINC001125356705 1372774836 /nfs/dbraw/zinc/77/48/36/1372774836.db2.gz QNWYOQRZJDQNBZ-AWEZNQCLSA-N 0 0 348.305 3.299 10 5 EGBERN C[C@@H](COc1ccc(F)cc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001125364189 1372775664 /nfs/dbraw/zinc/77/56/64/1372775664.db2.gz AOWMYDZYOUMSRI-KPVYPLCOSA-N 0 0 344.342 3.331 10 5 EGBERN C[C@H](COc1ccc(F)cc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001125364190 1372775693 /nfs/dbraw/zinc/77/56/93/1372775693.db2.gz AOWMYDZYOUMSRI-XFVCYKSVSA-N 0 0 344.342 3.331 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2cccn2cn1 ZINC001125381573 1372779167 /nfs/dbraw/zinc/77/91/67/1372779167.db2.gz YATNWFSNXCATBD-UHFFFAOYSA-N 0 0 338.367 3.293 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cscn2)cc1Cl ZINC001125419929 1372784144 /nfs/dbraw/zinc/78/41/44/1372784144.db2.gz ASOBIMFNGYXZJV-UHFFFAOYSA-N 0 0 325.777 3.285 10 5 EGBERN C[C@H](OCc1ccc(F)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125485682 1372794736 /nfs/dbraw/zinc/79/47/36/1372794736.db2.gz OLUWVFOFJWTKES-LBPRGKRZSA-N 0 0 333.315 3.382 10 5 EGBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C(N)=O ZINC001125829884 1372867138 /nfs/dbraw/zinc/86/71/38/1372867138.db2.gz LYKXWENOXAGTGN-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1ccc(F)cc1F ZINC001126047402 1372919420 /nfs/dbraw/zinc/91/94/20/1372919420.db2.gz HSWYJJKMCDLKKC-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc2nccn21 ZINC001126097897 1372932969 /nfs/dbraw/zinc/93/29/69/1372932969.db2.gz SAMLSCLDEKLTIO-UHFFFAOYSA-N 0 0 344.758 3.467 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(C(F)(F)F)CCC1 ZINC001126510599 1372970855 /nfs/dbraw/zinc/97/08/55/1372970855.db2.gz XDSSVMGZLJCNJU-UHFFFAOYSA-N 0 0 341.289 3.151 10 5 EGBERN CC1(C)CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001126563525 1372974851 /nfs/dbraw/zinc/97/48/51/1372974851.db2.gz ZYEPJHXGBPWVIP-INIZCTEOSA-N 0 0 345.399 3.127 10 5 EGBERN COc1cccc(OC)c1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001126874111 1373044905 /nfs/dbraw/zinc/04/49/05/1373044905.db2.gz BHSXGKGYSFNROS-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001127430733 1373126688 /nfs/dbraw/zinc/12/66/88/1373126688.db2.gz CDFFIPRFKQELJU-UHOFOFEASA-N 0 0 346.427 3.192 10 5 EGBERN Cc1cc(NC(=O)c2cnc(-c3ccccn3)nc2)ccc1[N+](=O)[O-] ZINC001127550199 1373138220 /nfs/dbraw/zinc/13/82/20/1373138220.db2.gz WSPOZCAONRASJE-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CCOC(=O)NCCCC(=O)O[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001127624927 1373149469 /nfs/dbraw/zinc/14/94/69/1373149469.db2.gz ZWEWXCHNKLQARW-AWEZNQCLSA-N 0 0 338.360 3.115 10 5 EGBERN CC[C@H](OC(=O)CCc1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC001127624632 1373149676 /nfs/dbraw/zinc/14/96/76/1373149676.db2.gz RIYHHGCJAADZHC-INIZCTEOSA-N 0 0 331.372 3.264 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)cc2ccoc21 ZINC001127643160 1373152092 /nfs/dbraw/zinc/15/20/92/1373152092.db2.gz ZJMSQBBGKFPTON-UHFFFAOYSA-N 0 0 328.299 3.453 10 5 EGBERN Cc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c2ncccc12 ZINC001127642565 1373152266 /nfs/dbraw/zinc/15/22/66/1373152266.db2.gz OETUJUWDQFSSIB-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccncc2)c2cc([N+](=O)[O-])ccc2n1 ZINC001127864139 1373191684 /nfs/dbraw/zinc/19/16/84/1373191684.db2.gz KZEHWIRMEQUJQA-LSDHHAIUSA-N 0 0 348.362 3.011 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2n1C ZINC001127935901 1373202231 /nfs/dbraw/zinc/20/22/31/1373202231.db2.gz QPFMHZIWLNGJJF-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN CC(C)Sc1ccc(COC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC001127942054 1373203387 /nfs/dbraw/zinc/20/33/87/1373203387.db2.gz HSPWWMWAJSTDFQ-UHFFFAOYSA-N 0 0 335.385 3.035 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC)[C@@H]2C)cc1OC ZINC001128278796 1373245053 /nfs/dbraw/zinc/24/50/53/1373245053.db2.gz BRBNGIAEVSSBFB-RYUDHWBXSA-N 0 0 336.388 3.263 10 5 EGBERN CC(C)CCOc1ccc(C(=O)Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001128320734 1373251571 /nfs/dbraw/zinc/25/15/71/1373251571.db2.gz HCKSIQPZJLETLO-UHFFFAOYSA-N 0 0 332.360 3.006 10 5 EGBERN O=C(Nc1ccc(OC(F)F)nc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001128431060 1373266160 /nfs/dbraw/zinc/26/61/60/1373266160.db2.gz XPXNNWKDLMJTNE-STQMWFEESA-N 0 0 349.293 3.333 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(C)c([N+](=O)[O-])c1 ZINC001128629998 1373299126 /nfs/dbraw/zinc/29/91/26/1373299126.db2.gz WJPRNIBCUGEHKP-XYYAHUGASA-N 0 0 346.383 3.455 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(F)cn1 ZINC001128914971 1373323329 /nfs/dbraw/zinc/32/33/29/1373323329.db2.gz MUSXHQYNZRPTAL-JTQLQIEISA-N 0 0 335.360 3.273 10 5 EGBERN CC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)sc1C ZINC001129103125 1373346221 /nfs/dbraw/zinc/34/62/21/1373346221.db2.gz SSYYUIJMSYCVMF-UHFFFAOYSA-N 0 0 337.332 3.262 10 5 EGBERN CO[C@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccccc1 ZINC001129214501 1373362371 /nfs/dbraw/zinc/36/23/71/1373362371.db2.gz MSWIEPWTQZXTNN-INIZCTEOSA-N 0 0 330.315 3.011 10 5 EGBERN C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001129500133 1373391280 /nfs/dbraw/zinc/39/12/80/1373391280.db2.gz YSIJSEOMXSJVTR-ACJLOTCBSA-N 0 0 342.399 3.479 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C(=O)OC)o1 ZINC001129600251 1373400925 /nfs/dbraw/zinc/40/09/25/1373400925.db2.gz KVQCHWCYGMSTAA-CLFYSBASSA-N 0 0 344.323 3.189 10 5 EGBERN CO[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC001129828314 1373426609 /nfs/dbraw/zinc/42/66/09/1373426609.db2.gz OBSZOQMYXJWTIO-LBPRGKRZSA-N 0 0 342.823 3.358 10 5 EGBERN O=C(N[C@@H]1COCc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC001130043501 1373448318 /nfs/dbraw/zinc/44/83/18/1373448318.db2.gz RKTNHQWGEAWXHY-CYBMUJFWSA-N 0 0 332.743 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2Cc3cc(F)c(F)cc3C2)c1F ZINC001130212295 1373474747 /nfs/dbraw/zinc/47/47/47/1373474747.db2.gz GFVQUAQUGDCSFT-UHFFFAOYSA-N 0 0 336.269 3.477 10 5 EGBERN COc1cc(C(=O)Nc2cc(F)cc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC001130501503 1373552443 /nfs/dbraw/zinc/55/24/43/1373552443.db2.gz FKYPSDWZYFXWBJ-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130538044 1373557108 /nfs/dbraw/zinc/55/71/08/1373557108.db2.gz ZHTSCDHFKUHICX-RAIGVLPGSA-N 0 0 325.368 3.249 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3ccccc3[C@H](C)C2)n1 ZINC001130765787 1373589353 /nfs/dbraw/zinc/58/93/53/1373589353.db2.gz HWSBHBVJNQKWBL-GFCCVEGCSA-N 0 0 325.368 3.100 10 5 EGBERN CCOc1cc(NC(=O)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001130798410 1373592770 /nfs/dbraw/zinc/59/27/70/1373592770.db2.gz DCGJTIZYBHONJO-UHFFFAOYSA-N 0 0 326.352 3.347 10 5 EGBERN CCOc1cc(NC(=O)/C=C\c2cnccc2C)ccc1[N+](=O)[O-] ZINC001130798526 1373593288 /nfs/dbraw/zinc/59/32/88/1373593288.db2.gz FAKIYUGCBIHCPQ-DAXSKMNVSA-N 0 0 327.340 3.349 10 5 EGBERN C[C@H](C(=O)Nc1cnc2ccccn12)c1ccc([N+](=O)[O-])cc1F ZINC001130858660 1373599122 /nfs/dbraw/zinc/59/91/22/1373599122.db2.gz FCPKMLFRFHOBTA-JTQLQIEISA-N 0 0 328.303 3.124 10 5 EGBERN COc1cc(C)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001130867077 1373600167 /nfs/dbraw/zinc/60/01/67/1373600167.db2.gz OXSYILSVCXFTIW-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC001130956791 1373615355 /nfs/dbraw/zinc/61/53/55/1373615355.db2.gz HCUKRFICQOMNDW-PWSUYJOCSA-N 0 0 327.340 3.087 10 5 EGBERN Cc1nc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c2ccccn12 ZINC001130957178 1373615737 /nfs/dbraw/zinc/61/57/37/1373615737.db2.gz PJZLRELRKMHVMH-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN Nc1c(C(=O)OCc2cnsc2)cc2ccccc2c1[N+](=O)[O-] ZINC001131390048 1373687590 /nfs/dbraw/zinc/68/75/90/1373687590.db2.gz VDBRCAJDQHAZMX-UHFFFAOYSA-N 0 0 329.337 3.144 10 5 EGBERN CCOc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC001131879187 1373864015 /nfs/dbraw/zinc/86/40/15/1373864015.db2.gz PKSLOCSCAAXZAB-UHFFFAOYSA-N 0 0 330.340 3.279 10 5 EGBERN Cc1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC001188400514 1388303020 /nfs/dbraw/zinc/30/30/20/1388303020.db2.gz LGJUUDAAPXALHN-UHFFFAOYSA-N 0 0 334.259 3.212 10 5 EGBERN COc1ccc([C@@H](C)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 ZINC001188538842 1388327526 /nfs/dbraw/zinc/32/75/26/1388327526.db2.gz INWBVFATVAVNKP-LBPRGKRZSA-N 0 0 339.351 3.117 10 5 EGBERN COc1c(C(=O)NCc2ccc3cccnc3c2)cccc1[N+](=O)[O-] ZINC001132342362 1375322058 /nfs/dbraw/zinc/32/20/58/1375322058.db2.gz FRZBZNYCRVAGCN-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001132747297 1375543446 /nfs/dbraw/zinc/54/34/46/1375543446.db2.gz JACVZOJMLHPEEZ-VIFPVBQESA-N 0 0 347.396 3.437 10 5 EGBERN Cc1cc(C(=O)NCc2noc3cc(F)ccc23)ccc1[N+](=O)[O-] ZINC001132928509 1375649136 /nfs/dbraw/zinc/64/91/36/1375649136.db2.gz HWHASZKAYXVQAO-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN Cc1c(CC(=O)NCc2noc3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC001132928750 1375649383 /nfs/dbraw/zinc/64/93/83/1375649383.db2.gz MCTQRSIAZAUHQA-UHFFFAOYSA-N 0 0 343.314 3.042 10 5 EGBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001132932191 1375651901 /nfs/dbraw/zinc/65/19/01/1375651901.db2.gz CWPQINONAPWLRC-SECBINFHSA-N 0 0 329.287 3.366 10 5 EGBERN Cc1c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132983572 1375694146 /nfs/dbraw/zinc/69/41/46/1375694146.db2.gz ZTIZQUVWEBEUKJ-VHRBIJSZSA-N 0 0 333.344 3.120 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1c(C)ccc2ccccc21 ZINC001133027947 1375723153 /nfs/dbraw/zinc/72/31/53/1375723153.db2.gz HDOXUPSEGMLVJX-UHFFFAOYSA-N 0 0 325.324 3.167 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC001133092800 1375770269 /nfs/dbraw/zinc/77/02/69/1375770269.db2.gz DIVMPTRMISPICP-IFIJOSMWSA-N 0 0 332.400 3.406 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001230822615 1376159252 /nfs/dbraw/zinc/15/92/52/1376159252.db2.gz VLJSTPMEIAVICM-MPESAESLSA-N 0 0 349.431 3.405 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001327187549 1388430988 /nfs/dbraw/zinc/43/09/88/1388430988.db2.gz LLMFOSJCQIFWKW-SFHVURJKSA-N 0 0 343.358 3.347 10 5 EGBERN CCOC(=O)[C@@H]1C[C@H]1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001189004696 1388433686 /nfs/dbraw/zinc/43/36/86/1388433686.db2.gz MFKCIZJNDQBXJW-WCBMZHEXSA-N 0 0 333.262 3.192 10 5 EGBERN Cc1cn2c(nc(CSCc3ccc([N+](=O)[O-])cc3)cc2=O)s1 ZINC001189070796 1388451618 /nfs/dbraw/zinc/45/16/18/1388451618.db2.gz YSSVZXWUVVSGGK-UHFFFAOYSA-N 0 0 347.421 3.406 10 5 EGBERN Cn1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC001134890824 1376770540 /nfs/dbraw/zinc/77/05/40/1376770540.db2.gz DFRFFILSNKPCLL-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN Cc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1[N+](=O)[O-] ZINC001136103035 1377344607 /nfs/dbraw/zinc/34/46/07/1377344607.db2.gz PWPQITJVGIVQFW-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN O=C(c1ccnc(Cl)c1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001136133388 1377356557 /nfs/dbraw/zinc/35/65/57/1377356557.db2.gz BYHPPSZNQQRWKK-UHFFFAOYSA-N 0 0 338.150 3.500 10 5 EGBERN CC1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCCC1 ZINC001136356275 1377382244 /nfs/dbraw/zinc/38/22/44/1377382244.db2.gz TVTJAOQEKCTEAS-UHFFFAOYSA-N 0 0 329.759 3.422 10 5 EGBERN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136375082 1377384602 /nfs/dbraw/zinc/38/46/02/1377384602.db2.gz BWKPXHBJIAULPD-JTQLQIEISA-N 0 0 340.339 3.118 10 5 EGBERN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137187984 1377494146 /nfs/dbraw/zinc/49/41/46/1377494146.db2.gz NBPYFZIRIALESA-WFASDCNBSA-N 0 0 325.368 3.195 10 5 EGBERN O=C(c1cccc(O)c1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001137352669 1377530304 /nfs/dbraw/zinc/53/03/04/1377530304.db2.gz XVSCFHRGPLZFKX-UHFFFAOYSA-N 0 0 330.315 3.244 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CCO)c1ccccc1 ZINC001137439973 1377548655 /nfs/dbraw/zinc/54/86/55/1377548655.db2.gz KYRZFRLBAQNPDB-INIZCTEOSA-N 0 0 346.358 3.238 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2n1C1CC1 ZINC001137605873 1377571836 /nfs/dbraw/zinc/57/18/36/1377571836.db2.gz HJCYCQTUYBOFOZ-UHFFFAOYSA-N 0 0 337.339 3.114 10 5 EGBERN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001137874043 1377634876 /nfs/dbraw/zinc/63/48/76/1377634876.db2.gz BYQKEDKSMKPSNL-WFASDCNBSA-N 0 0 334.416 3.268 10 5 EGBERN CCn1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C(C)C)n1 ZINC001138021174 1377667375 /nfs/dbraw/zinc/66/73/75/1377667375.db2.gz YDHYTNUYHNKIRU-UHFFFAOYSA-N 0 0 342.359 3.063 10 5 EGBERN O=C(NCc1cccc2cc[nH]c21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138251669 1377693709 /nfs/dbraw/zinc/69/37/09/1377693709.db2.gz IVORDXDJSKFSGA-IAGOWNOFSA-N 0 0 335.363 3.496 10 5 EGBERN CC1(C)C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001273651468 1378107526 /nfs/dbraw/zinc/10/75/26/1378107526.db2.gz VUCJTSUFZSMMQR-UHFFFAOYSA-N 0 0 331.353 3.034 10 5 EGBERN O=C(NCC1CCCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001140853862 1378158219 /nfs/dbraw/zinc/15/82/19/1378158219.db2.gz IJGDLOMZKKUKQN-UHFFFAOYSA-N 0 0 334.401 3.300 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCSc2ccccc21 ZINC001141387471 1378315577 /nfs/dbraw/zinc/31/55/77/1378315577.db2.gz OFYXZGQMHJSQRL-UHFFFAOYSA-N 0 0 329.381 3.320 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cccc(O)c1 ZINC001141477874 1378331724 /nfs/dbraw/zinc/33/17/24/1378331724.db2.gz CGGNPHPEJYXQFX-UHFFFAOYSA-N 0 0 328.368 3.237 10 5 EGBERN Cc1[nH]nc(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)c1[N+](=O)[O-] ZINC001141709419 1378365003 /nfs/dbraw/zinc/36/50/03/1378365003.db2.gz GWKCKBQICHXMGA-UHFFFAOYSA-N 0 0 346.240 3.345 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1N)c1cccc([N+](=O)[O-])c1 ZINC001141891388 1378390508 /nfs/dbraw/zinc/39/05/08/1378390508.db2.gz QPSPWTVQLWHKTJ-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN C[C@H](C(=O)NCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001142183454 1378418316 /nfs/dbraw/zinc/41/83/16/1378418316.db2.gz RDYUYAYTNXLMIH-VIFPVBQESA-N 0 0 337.738 3.202 10 5 EGBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001142215245 1378420784 /nfs/dbraw/zinc/42/07/84/1378420784.db2.gz QYXYBHDEZHRPAW-ZYHUDNBSSA-N 0 0 337.807 3.387 10 5 EGBERN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001142844367 1378494806 /nfs/dbraw/zinc/49/48/06/1378494806.db2.gz PFLILCRXZLJQBG-UHFFFAOYSA-N 0 0 328.250 3.003 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001143976000 1378665720 /nfs/dbraw/zinc/66/57/20/1378665720.db2.gz RULRZWSBJOMUNA-XPKDYRNWSA-N 0 0 332.400 3.190 10 5 EGBERN O=C(Nc1ccc2c(c1)CCCCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001144734886 1378766332 /nfs/dbraw/zinc/76/63/32/1378766332.db2.gz XPKVLZDTUPXPEP-UHFFFAOYSA-N 0 0 327.340 3.217 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]1c1ccc(F)cc1 ZINC001146529766 1378861364 /nfs/dbraw/zinc/86/13/64/1378861364.db2.gz IPIBOTBWSMMONZ-CYBMUJFWSA-N 0 0 344.298 3.050 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@]4(CC4(F)F)C3)c2c1 ZINC001327687027 1388582800 /nfs/dbraw/zinc/58/28/00/1388582800.db2.gz BOCHDXGDXOLHFT-ZDUSSCGKSA-N 0 0 340.717 3.427 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC001147580658 1379045977 /nfs/dbraw/zinc/04/59/77/1379045977.db2.gz LAYCFVLBOHNAFX-SWLSCSKDSA-N 0 0 331.759 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3nccn3c2)c1F ZINC001148506099 1379196002 /nfs/dbraw/zinc/19/60/02/1379196002.db2.gz STMQDFSOXIMDNQ-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN CC(C)(O)COc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001148842296 1379281112 /nfs/dbraw/zinc/28/11/12/1379281112.db2.gz DQKGVKNZINTBHK-UHFFFAOYSA-N 0 0 348.330 3.136 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2n[nH]nc2c1 ZINC001149025149 1379312647 /nfs/dbraw/zinc/31/26/47/1379312647.db2.gz IUSNLJMDNDGSES-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN Cc1ccc(CNC(=O)c2c[nH]c3cc(=O)ccc-3c2)cc1[N+](=O)[O-] ZINC001152095376 1379861076 /nfs/dbraw/zinc/86/10/76/1379861076.db2.gz QNBCTBOYGQABBK-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1ccc(CNC(=O)c2cn(C)c3ccc(F)cc23)cc1[N+](=O)[O-] ZINC001152094623 1379861573 /nfs/dbraw/zinc/86/15/73/1379861573.db2.gz KFWKNZABDYXKKC-UHFFFAOYSA-N 0 0 341.342 3.464 10 5 EGBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001284526115 1379926343 /nfs/dbraw/zinc/92/63/43/1379926343.db2.gz DJGRFKIKYLKNMT-UHFFFAOYSA-N 0 0 345.399 3.170 10 5 EGBERN Cc1c(CNC(=O)c2ccc3[nH]cc(C=O)c3c2)cccc1[N+](=O)[O-] ZINC001154301016 1380251030 /nfs/dbraw/zinc/25/10/30/1380251030.db2.gz FWZPTYPTMITVSA-UHFFFAOYSA-N 0 0 337.335 3.127 10 5 EGBERN Cc1nccc2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cccc12 ZINC001154606372 1380315661 /nfs/dbraw/zinc/31/56/61/1380315661.db2.gz ZQECYXDYUNICBC-UHFFFAOYSA-N 0 0 340.314 3.425 10 5 EGBERN C[C@H](CCC1CC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155153937 1380417014 /nfs/dbraw/zinc/41/70/14/1380417014.db2.gz ZLXXXLYROPNBNY-LLVKDONJSA-N 0 0 328.372 3.293 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc(F)ccc1OC ZINC001155938129 1380506352 /nfs/dbraw/zinc/50/63/52/1380506352.db2.gz KCMNUOJBLVFDOX-HNNXBMFYSA-N 0 0 347.346 3.206 10 5 EGBERN CCN(OC)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001155991766 1380511010 /nfs/dbraw/zinc/51/10/10/1380511010.db2.gz LXHNEMNBCZRCLD-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001156197199 1380539893 /nfs/dbraw/zinc/53/98/93/1380539893.db2.gz SYNPAIGLTOZMIR-JOCQHMNTSA-N 0 0 325.368 3.161 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(O)c2ncccc12 ZINC001157938027 1381075641 /nfs/dbraw/zinc/07/56/41/1381075641.db2.gz UGMNOFGRYOQPMM-BJMVGYQFSA-N 0 0 349.346 3.178 10 5 EGBERN COc1ccc(C(=O)OCc2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001287293617 1381165449 /nfs/dbraw/zinc/16/54/49/1381165449.db2.gz QLMNWCWJRJHNJG-NSHDSACASA-N 0 0 343.335 3.284 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1ccccn1 ZINC001287435355 1381200951 /nfs/dbraw/zinc/20/09/51/1381200951.db2.gz FPACDPBQVAJUKM-GFCCVEGCSA-N 0 0 326.230 3.450 10 5 EGBERN CCOC(=O)C(CC)(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001287521147 1381235541 /nfs/dbraw/zinc/23/55/41/1381235541.db2.gz FUHHYBFGEDQWMD-UHFFFAOYSA-N 0 0 336.388 3.003 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1nccnc1Cl ZINC001158756043 1381385055 /nfs/dbraw/zinc/38/50/55/1381385055.db2.gz GKAYSVZPHRTXAL-UHFFFAOYSA-N 0 0 335.751 3.111 10 5 EGBERN O=C(NCc1ccc(OC(F)F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001287889340 1381398953 /nfs/dbraw/zinc/39/89/53/1381398953.db2.gz HITYNJFOTBEOBY-UHFFFAOYSA-N 0 0 340.257 3.265 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC001328388015 1388734342 /nfs/dbraw/zinc/73/43/42/1388734342.db2.gz REHBSHWYFVMYNW-HWKANZROSA-N 0 0 334.372 3.010 10 5 EGBERN Cc1cc(NC(=O)c2noc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 ZINC001159513364 1381814309 /nfs/dbraw/zinc/81/43/09/1381814309.db2.gz RFDSOIMJJNOQQS-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN Cc1c(C(=O)NCCCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001289581158 1382004409 /nfs/dbraw/zinc/00/44/09/1382004409.db2.gz OMJDAHXAHORGRR-UHFFFAOYSA-N 0 0 332.331 3.241 10 5 EGBERN O=C(Nc1ccccc1-c1nccs1)c1ccc([N+](=O)[O-])cn1 ZINC001289866310 1382014856 /nfs/dbraw/zinc/01/48/56/1382014856.db2.gz YLFGDWHZZFOHHI-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC001294542701 1382469243 /nfs/dbraw/zinc/46/92/43/1382469243.db2.gz OTDWDIFGFSCIDG-BXUZGUMPSA-N 0 0 332.356 3.047 10 5 EGBERN COc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001295831754 1382840085 /nfs/dbraw/zinc/84/00/85/1382840085.db2.gz BGRIWKJWNYJJNV-UONOGXRCSA-N 0 0 328.324 3.051 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001162907395 1382911481 /nfs/dbraw/zinc/91/14/81/1382911481.db2.gz OZTDBXOVDIXZJG-XJKCOSOUSA-N 0 0 341.411 3.462 10 5 EGBERN Cc1cc(Nc2c([N+](=O)[O-])cnn2C)cnc1N1CCCC[C@H]1C ZINC001162915551 1382915102 /nfs/dbraw/zinc/91/51/02/1382915102.db2.gz HZNHGRZIANKMIA-GFCCVEGCSA-N 0 0 330.392 3.154 10 5 EGBERN C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(Cl)cn1 ZINC001163247867 1383003972 /nfs/dbraw/zinc/00/39/72/1383003972.db2.gz FIEVDLCFZQTBSK-MRVPVSSYSA-N 0 0 325.727 3.448 10 5 EGBERN CC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1C ZINC001163615351 1383090034 /nfs/dbraw/zinc/09/00/34/1383090034.db2.gz XSHARHUJLVDBJX-UHFFFAOYSA-N 0 0 331.303 3.079 10 5 EGBERN CS(=O)(=O)c1cccc(Sc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001163989498 1383143640 /nfs/dbraw/zinc/14/36/40/1383143640.db2.gz CGFUWHTYSCRBFX-UHFFFAOYSA-N 0 0 344.801 3.198 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](Oc4ccc(F)cc4)C3)nc2c1 ZINC001164067280 1383152384 /nfs/dbraw/zinc/15/23/84/1383152384.db2.gz KTBOWEWFLBQCCU-AWEZNQCLSA-N 0 0 342.330 3.268 10 5 EGBERN CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccccc1 ZINC001164086606 1383154518 /nfs/dbraw/zinc/15/45/18/1383154518.db2.gz ZOPQBHBJPVVRMO-WBVHZDCISA-N 0 0 338.367 3.462 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC(Cc2cccc(Br)c2)C1 ZINC001164276498 1383173934 /nfs/dbraw/zinc/17/39/34/1383173934.db2.gz SPCKVYKJPMUDQG-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001166072131 1383386443 /nfs/dbraw/zinc/38/64/43/1383386443.db2.gz PONZTVYLTAMVBH-UHFFFAOYSA-N 0 0 331.259 3.141 10 5 EGBERN O=c1c(F)cc([N+](=O)[O-])cn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC001166400001 1383418726 /nfs/dbraw/zinc/41/87/26/1383418726.db2.gz XOTKYQADOHZSJO-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cn(Cc3cnn(-c4ccccc4)n3)cn2)cc1 ZINC001166956364 1383504396 /nfs/dbraw/zinc/50/43/96/1383504396.db2.gz JLCCLDONTQGYEW-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)C1(O)CCCC1 ZINC001299388006 1383521885 /nfs/dbraw/zinc/52/18/85/1383521885.db2.gz PQHPVWRDOKKTJX-UHFFFAOYSA-N 0 0 338.379 3.103 10 5 EGBERN O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001299487900 1383544750 /nfs/dbraw/zinc/54/47/50/1383544750.db2.gz ZKWLQLVDZVNESD-UHFFFAOYSA-N 0 0 348.746 3.133 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC001299859248 1383632694 /nfs/dbraw/zinc/63/26/94/1383632694.db2.gz VQIDEYUXRVOFQK-JTQLQIEISA-N 0 0 343.339 3.107 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(Cl)c1 ZINC001299859314 1383632721 /nfs/dbraw/zinc/63/27/21/1383632721.db2.gz XNUCDXLOWMGEMW-UHFFFAOYSA-N 0 0 334.763 3.341 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001300116319 1383644846 /nfs/dbraw/zinc/64/48/46/1383644846.db2.gz HJIRLYUSRBFFCT-UKRRQHHQSA-N 0 0 340.807 3.255 10 5 EGBERN O=C(N[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001167483745 1383647159 /nfs/dbraw/zinc/64/71/59/1383647159.db2.gz YVBYPVVAVOVEIY-HNNXBMFYSA-N 0 0 345.424 3.051 10 5 EGBERN Cc1nn(CCC(=O)Nc2ccc(O)c(C(C)C)c2)c(C)c1[N+](=O)[O-] ZINC001302991545 1383777528 /nfs/dbraw/zinc/77/75/28/1383777528.db2.gz MBKYPBDYNNHINP-UHFFFAOYSA-N 0 0 346.387 3.266 10 5 EGBERN C[C@@]1(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC=CCC1 ZINC001303529135 1383803005 /nfs/dbraw/zinc/80/30/05/1383803005.db2.gz KTXVIQDEJIXBOM-GOSISDBHSA-N 0 0 342.399 3.266 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2COCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001304134263 1383835206 /nfs/dbraw/zinc/83/52/06/1383835206.db2.gz CSFVGYVFJLDOIY-ZDUSSCGKSA-N 0 0 344.371 3.003 10 5 EGBERN C[C@@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001304954121 1383858263 /nfs/dbraw/zinc/85/82/63/1383858263.db2.gz UIOBTPFBMMTLJF-UKRRQHHQSA-N 0 0 339.399 3.276 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cccc2cn[nH]c21 ZINC001306863427 1383911678 /nfs/dbraw/zinc/91/16/78/1383911678.db2.gz XWZIOPSKRRBTNB-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN NC(=O)c1cc(N[C@@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC001306943216 1383924533 /nfs/dbraw/zinc/92/45/33/1383924533.db2.gz ILOSGJGWQZXBPP-CYBMUJFWSA-N 0 0 347.758 3.283 10 5 EGBERN Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001306954571 1383926091 /nfs/dbraw/zinc/92/60/91/1383926091.db2.gz YHNIKGSRTONQRJ-JTQLQIEISA-N 0 0 345.321 3.343 10 5 EGBERN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Oc1cccc(F)c1 ZINC001306987937 1383930469 /nfs/dbraw/zinc/93/04/69/1383930469.db2.gz HGRBTLRNUPQZRD-ZDUSSCGKSA-N 0 0 347.346 3.102 10 5 EGBERN C[C@@H]1C[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001307080346 1383937607 /nfs/dbraw/zinc/93/76/07/1383937607.db2.gz LHGKXGUNEVTEIX-MNOVXSKESA-N 0 0 335.791 3.445 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(SC[C@H]3CCCO3)c2c1 ZINC001307092469 1383938850 /nfs/dbraw/zinc/93/88/50/1383938850.db2.gz FKNZMEXCWQFZQH-SNVBAGLBSA-N 0 0 335.341 3.322 10 5 EGBERN Cc1cc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001307174360 1383950357 /nfs/dbraw/zinc/95/03/57/1383950357.db2.gz IKNRFNDSJKQIKP-ZBFHGGJFSA-N 0 0 336.775 3.063 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CO[C@@H](C2CC2)C1 ZINC001307181013 1383951819 /nfs/dbraw/zinc/95/18/19/1383951819.db2.gz MPXUGVDCPCDCRA-IAQYHMDHSA-N 0 0 333.775 3.198 10 5 EGBERN CC(C)c1n[nH]c(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001307191064 1383954353 /nfs/dbraw/zinc/95/43/53/1383954353.db2.gz DTMPOXCMLUKGOJ-UHFFFAOYSA-N 0 0 329.404 3.295 10 5 EGBERN COC(=O)c1ccnc(SCc2cccc(F)c2F)c1[N+](=O)[O-] ZINC001307206725 1383957306 /nfs/dbraw/zinc/95/73/06/1383957306.db2.gz SXROUVYEXPZXDB-UHFFFAOYSA-N 0 0 340.307 3.347 10 5 EGBERN COc1cc(NCc2nc3cnccc3s2)c([N+](=O)[O-])cc1OC ZINC001307209833 1383957691 /nfs/dbraw/zinc/95/76/91/1383957691.db2.gz PIULMVKIUHEYJI-UHFFFAOYSA-N 0 0 346.368 3.229 10 5 EGBERN Cc1cc(N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001307215488 1383958844 /nfs/dbraw/zinc/95/88/44/1383958844.db2.gz IKHBLBOZAGNAEE-AWEZNQCLSA-N 0 0 335.404 3.349 10 5 EGBERN C[C@@H](CNc1ncncc1Br)c1ccccc1[N+](=O)[O-] ZINC001307220563 1383959116 /nfs/dbraw/zinc/95/91/16/1383959116.db2.gz YDKDSICUVCLSTN-VIFPVBQESA-N 0 0 337.177 3.363 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001307226811 1383960887 /nfs/dbraw/zinc/96/08/87/1383960887.db2.gz FPZOOTXWNNTHTG-HUUCEWRRSA-N 0 0 349.431 3.420 10 5 EGBERN Cn1nc(COc2c(Br)cccc2[N+](=O)[O-])cc1Cl ZINC001307315066 1383970308 /nfs/dbraw/zinc/97/03/08/1383970308.db2.gz GRFPCKZBZCHRPU-UHFFFAOYSA-N 0 0 346.568 3.323 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001307316720 1383971145 /nfs/dbraw/zinc/97/11/45/1383971145.db2.gz OMRMWUIMEYGMAM-AAEUAGOBSA-N 0 0 340.713 3.459 10 5 EGBERN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457168 1383994100 /nfs/dbraw/zinc/99/41/00/1383994100.db2.gz CCVOUGVUYPYPKL-QWRGUYRKSA-N 0 0 325.796 3.450 10 5 EGBERN COc1ccc2c(c1)C[C@@H](CN1CCc3cc(C)c([N+](=O)[O-])cc31)O2 ZINC001168785539 1384004249 /nfs/dbraw/zinc/00/42/49/1384004249.db2.gz NHVROOXWYXFXCG-INIZCTEOSA-N 0 0 340.379 3.278 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@H](C)CO1 ZINC001307897798 1384053017 /nfs/dbraw/zinc/05/30/17/1384053017.db2.gz PHVMFVZDAULVRW-MFKMUULPSA-N 0 0 343.221 3.357 10 5 EGBERN CC(C)(C)[C@@H]1CSCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308035512 1384078440 /nfs/dbraw/zinc/07/84/40/1384078440.db2.gz RDTXNKMICAZZQO-AWEZNQCLSA-N 0 0 339.417 3.467 10 5 EGBERN CCOC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121685 1384097297 /nfs/dbraw/zinc/09/72/97/1384097297.db2.gz KQRMBNSPULAOQB-VIFPVBQESA-N 0 0 347.198 3.287 10 5 EGBERN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)CCO1 ZINC001308165900 1384103976 /nfs/dbraw/zinc/10/39/76/1384103976.db2.gz FAESGKXKKYFEAF-GHMZBOCLSA-N 0 0 343.221 3.357 10 5 EGBERN CN(CCNC(=O)C1CCC2(CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317453243 1385151397 /nfs/dbraw/zinc/15/13/97/1385151397.db2.gz MMGMIRVIFDKQKZ-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CN(CCNC(=O)C1(C)CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317459250 1385157089 /nfs/dbraw/zinc/15/70/89/1385157089.db2.gz KYDWSWVGFGDGNG-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CC1(C)CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001175332192 1385255685 /nfs/dbraw/zinc/25/56/85/1385255685.db2.gz XXVNRJJTXWAOQU-UONOGXRCSA-N 0 0 342.399 3.410 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001175722917 1385385414 /nfs/dbraw/zinc/38/54/14/1385385414.db2.gz BUKMKOWCZAGTQE-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN CO[C@@H](c1nnc(COc2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC001329136262 1388986221 /nfs/dbraw/zinc/98/62/21/1388986221.db2.gz XYJGXXAGTGPHCX-OAHLLOKOSA-N 0 0 333.344 3.435 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)c2cc(F)cc(F)c2)c1C ZINC001178819807 1386317433 /nfs/dbraw/zinc/31/74/33/1386317433.db2.gz NOJYSGOATZQEOU-UHFFFAOYSA-N 0 0 348.305 3.103 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2C)C1 ZINC001319927135 1386395787 /nfs/dbraw/zinc/39/57/87/1386395787.db2.gz HTPWQPBUQICZBV-UHFFFAOYSA-N 0 0 337.379 3.484 10 5 EGBERN Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(C)n1 ZINC001320089004 1386503817 /nfs/dbraw/zinc/50/38/17/1386503817.db2.gz GMOOHFULYMODPO-UHFFFAOYSA-N 0 0 334.763 3.004 10 5 EGBERN CN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329627882 1389192453 /nfs/dbraw/zinc/19/24/53/1389192453.db2.gz DTAXWEUOJUPTBL-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])cc1OC ZINC001329994605 1389281420 /nfs/dbraw/zinc/28/14/20/1389281420.db2.gz XZTYCQXXJFCEKG-NWDGAFQWSA-N 0 0 340.351 3.013 10 5 EGBERN CC(C)[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC001330023580 1389287712 /nfs/dbraw/zinc/28/77/12/1389287712.db2.gz IFVKQJVMQMSGIY-LJQANCHMSA-N 0 0 342.395 3.229 10 5 EGBERN COc1cc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC001330685044 1389496224 /nfs/dbraw/zinc/49/62/24/1389496224.db2.gz JYSUNNCASRNPIZ-KXUCPTDWSA-N 0 0 328.315 3.458 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cccc3c2COCC3)cc1[N+](=O)[O-] ZINC001331053660 1389611689 /nfs/dbraw/zinc/61/16/89/1389611689.db2.gz JYFBIPRWSNMLSW-ZDUSSCGKSA-N 0 0 340.379 3.467 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)n2)nc1 ZINC001333753391 1390392997 /nfs/dbraw/zinc/39/29/97/1390392997.db2.gz HBCHRHDABCXSIH-FXAINCCUSA-N 0 0 336.298 3.112 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836883 1390419263 /nfs/dbraw/zinc/41/92/63/1390419263.db2.gz SISUHLCGLCFHIA-KGLIPLIRSA-N 0 0 330.306 3.063 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001334824576 1390598988 /nfs/dbraw/zinc/59/89/88/1390598988.db2.gz AJVMHELSGJLCST-JLLWLGSASA-N 0 0 328.290 3.206 10 5 EGBERN O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001335042137 1390634365 /nfs/dbraw/zinc/63/43/65/1390634365.db2.gz DWPPBSBTMGLTDQ-RNLVFQAGSA-N 0 0 334.681 3.161 10 5 EGBERN C[C@@]12COC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c3ccccc13)C2 ZINC001344854361 1390819519 /nfs/dbraw/zinc/81/95/19/1390819519.db2.gz NQOPHWPTUVRNBK-KPZWWZAWSA-N 0 0 341.367 3.248 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[C@@]12CCOC2 ZINC001345163846 1390842719 /nfs/dbraw/zinc/84/27/19/1390842719.db2.gz XGNLQDNGFJVZQE-MEDUHNTESA-N 0 0 337.397 3.290 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001345651818 1390872125 /nfs/dbraw/zinc/87/21/25/1390872125.db2.gz AJXJKEPNEZRIBT-HUUCEWRRSA-N 0 0 339.413 3.291 10 5 EGBERN Cc1ccccc1Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2N)o1 ZINC001346000151 1390900000 /nfs/dbraw/zinc/90/00/00/1390900000.db2.gz YWCHRPNYHDICCR-UHFFFAOYSA-N 0 0 328.303 3.265 10 5 EGBERN C[C@H](NC(=O)[C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001346199749 1390914786 /nfs/dbraw/zinc/91/47/86/1390914786.db2.gz DFPHYLXUSCUTFJ-KBXCAEBGSA-N 0 0 342.395 3.328 10 5 EGBERN CC(C)(C(=O)O[C@@H]1CCCc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC001346423680 1390935536 /nfs/dbraw/zinc/93/55/36/1390935536.db2.gz HCSKKKRSOWYDIN-OAHLLOKOSA-N 0 0 341.367 3.283 10 5 EGBERN CC(C)(C(=O)O[C@H]1CCCc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC001346423679 1390935542 /nfs/dbraw/zinc/93/55/42/1390935542.db2.gz HCSKKKRSOWYDIN-HNNXBMFYSA-N 0 0 341.367 3.283 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001346465685 1390942578 /nfs/dbraw/zinc/94/25/78/1390942578.db2.gz UFFQBGGUNRNUEO-CQSZACIVSA-N 0 0 329.356 3.066 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001346488603 1390945657 /nfs/dbraw/zinc/94/56/57/1390945657.db2.gz HBJGXFBDQFPECT-ZYHUDNBSSA-N 0 0 339.779 3.281 10 5 EGBERN C[C@H](Cc1ccno1)OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001346693725 1390970921 /nfs/dbraw/zinc/97/09/21/1390970921.db2.gz XMYZITFGTYFOKO-GFCCVEGCSA-N 0 0 330.340 3.179 10 5 EGBERN O=C(C[C@@H]1CCC(F)(F)C1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001346706390 1390971909 /nfs/dbraw/zinc/97/19/09/1390971909.db2.gz JCGKUBMZLHNEBD-VIFPVBQESA-N 0 0 343.282 3.097 10 5 EGBERN CO[C@@]12CCC[C@@]1(COC(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC001347298334 1391050140 /nfs/dbraw/zinc/05/01/40/1391050140.db2.gz GIWDNVKNXWULQE-ZWKOTPCHSA-N 0 0 349.383 3.302 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C(C)=O)c(C)c1 ZINC001347738592 1391117839 /nfs/dbraw/zinc/11/78/39/1391117839.db2.gz QFZIRRRLUFJLDB-UHFFFAOYSA-N 0 0 329.308 3.334 10 5 EGBERN Cc1cnn(C)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001347928243 1391147475 /nfs/dbraw/zinc/14/74/75/1391147475.db2.gz LVBINJDLQIHDFC-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001348212598 1391186681 /nfs/dbraw/zinc/18/66/81/1391186681.db2.gz JQLWVUHDSWNKHV-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001348447444 1391221138 /nfs/dbraw/zinc/22/11/38/1391221138.db2.gz HZEVICYJUFBWTP-ZDUSSCGKSA-N 0 0 347.371 3.147 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2scnc2c1 ZINC001349028877 1391297376 /nfs/dbraw/zinc/29/73/76/1391297376.db2.gz LIFFZPGENUOWCV-UHFFFAOYSA-N 0 0 330.321 3.432 10 5 EGBERN O=C(OCc1ccc(Cl)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001350104763 1391412552 /nfs/dbraw/zinc/41/25/52/1391412552.db2.gz IQGZSVNHQSQSJQ-UHFFFAOYSA-N 0 0 335.699 3.334 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC001350755982 1391525933 /nfs/dbraw/zinc/52/59/33/1391525933.db2.gz RYUVQJBZFQEXSO-UHFFFAOYSA-N 0 0 348.330 3.241 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)CC1 ZINC001350931520 1391561979 /nfs/dbraw/zinc/56/19/79/1391561979.db2.gz MNEYJSVAQXTCQQ-QGZVFWFLSA-N 0 0 326.352 3.199 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccc2)CC1 ZINC001350932740 1391562161 /nfs/dbraw/zinc/56/21/61/1391562161.db2.gz SVJUMKPROMVVNV-SFHVURJKSA-N 0 0 340.379 3.128 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001351335785 1391628501 /nfs/dbraw/zinc/62/85/01/1391628501.db2.gz GZUJGAOZFQWHQW-CABCVRRESA-N 0 0 327.296 3.245 10 5 EGBERN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCCCCC1 ZINC001351696269 1391673469 /nfs/dbraw/zinc/67/34/69/1391673469.db2.gz JFLDKLMYRLPHQE-KRWDZBQOSA-N 0 0 345.399 3.269 10 5 EGBERN COC(=O)c1ccc(C)c(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001351815455 1391695144 /nfs/dbraw/zinc/69/51/44/1391695144.db2.gz OKROXLUXRLGJRC-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001352034244 1391748666 /nfs/dbraw/zinc/74/86/66/1391748666.db2.gz FABDKXCDEXRCIG-DLBZAZTESA-N 0 0 344.342 3.072 10 5 EGBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001352732627 1391837586 /nfs/dbraw/zinc/83/75/86/1391837586.db2.gz DMWXPPCALFQBJF-CVEARBPZSA-N 0 0 349.350 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3nccn32)cc1Cl ZINC001353494647 1392023156 /nfs/dbraw/zinc/02/31/56/1392023156.db2.gz MVKBWAVWRILVRC-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN Cn1c2ccccc2sc1=NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001353577383 1392043072 /nfs/dbraw/zinc/04/30/72/1392043072.db2.gz MPZURXSTTMGMNP-UHFFFAOYSA-N 0 0 349.318 3.167 10 5 EGBERN COC(=O)c1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)ccc1F ZINC001353697679 1392071367 /nfs/dbraw/zinc/07/13/67/1392071367.db2.gz VGDIBYLHUYZOHO-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001353971793 1392110747 /nfs/dbraw/zinc/11/07/47/1392110747.db2.gz NOIFFLSLXAMLMJ-CQSZACIVSA-N 0 0 349.431 3.027 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001354007458 1392114076 /nfs/dbraw/zinc/11/40/76/1392114076.db2.gz GKWTVIMNVOUZAP-UHFFFAOYSA-N 0 0 341.367 3.351 10 5 EGBERN C[C@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1ccccc1[N+](=O)[O-] ZINC001354202298 1392127238 /nfs/dbraw/zinc/12/72/38/1392127238.db2.gz VPIBNSUTZNCSSC-FDQGKXFDSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2C(F)(F)F)n1 ZINC001354287472 1392136436 /nfs/dbraw/zinc/13/64/36/1392136436.db2.gz NDFHWFSYIPQLIF-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001354347907 1392139471 /nfs/dbraw/zinc/13/94/71/1392139471.db2.gz HBPZQPPJERHABI-UHFFFAOYSA-N 0 0 334.322 3.464 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(Br)c2)n1 ZINC001354388523 1392141394 /nfs/dbraw/zinc/14/13/94/1392141394.db2.gz HILZCBQGFKWWED-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ncoc2-c2ccon2)cc1[N+](=O)[O-] ZINC001354629308 1392157296 /nfs/dbraw/zinc/15/72/96/1392157296.db2.gz ULYQUDYWGKFUSZ-SNVBAGLBSA-N 0 0 342.311 3.037 10 5 EGBERN CCN(CCCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001479850882 1392431151 /nfs/dbraw/zinc/43/11/51/1392431151.db2.gz JUAIATITVMUHFH-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN O=C(CCC1CCCC1)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001481610844 1394419942 /nfs/dbraw/zinc/41/99/42/1394419942.db2.gz UCYXCHOLJONFNW-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN O=C(C=C1CCCCC1)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481614091 1394421607 /nfs/dbraw/zinc/42/16/07/1394421607.db2.gz LYXDDIIFUABMCW-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN C[C@@H](NC(=O)NCc1ncc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC001687492179 1396393095 /nfs/dbraw/zinc/39/30/95/1396393095.db2.gz ZKZZWDCHRKORTB-MRVPVSSYSA-N 0 0 340.792 3.265 10 5 EGBERN CC[C@@H]1CN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001687733625 1396474716 /nfs/dbraw/zinc/47/47/16/1396474716.db2.gz TZHUKMITNWEXML-SOUVJXGZSA-N 0 0 349.431 3.297 10 5 EGBERN C/C=C(\C)C(=O)N(C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001690020790 1404260704 /nfs/dbraw/zinc/26/07/04/1404260704.db2.gz WQMHFJRBNKJTTC-UUILKARUSA-N 0 0 337.445 3.045 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@H](F)C1 ZINC001695510507 1406095342 /nfs/dbraw/zinc/09/53/42/1406095342.db2.gz KEKSCNVGWJTSBQ-JSGCOSHPSA-N 0 0 347.394 3.448 10 5 EGBERN Cc1cc(C)cc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001713475270 1418155243 /nfs/dbraw/zinc/15/52/43/1418155243.db2.gz QURMWDYMBOPSJD-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CC1(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001713918323 1418712957 /nfs/dbraw/zinc/71/29/57/1418712957.db2.gz VMHRRGRUYKBQNE-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN CC(C)(C)CC(C)(C)C(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001714951765 1419693096 /nfs/dbraw/zinc/69/30/96/1419693096.db2.gz DLMDLMRJUSYMAU-UHFFFAOYSA-N 0 0 347.459 3.358 10 5 EGBERN CN(C(=O)CC(C)(C)C1CC1)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001723760429 1424559709 /nfs/dbraw/zinc/55/97/09/1424559709.db2.gz FHBRMHAWVBZAJT-UHFFFAOYSA-N 0 0 345.443 3.064 10 5 EGBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C ZINC001743018110 1439535319 /nfs/dbraw/zinc/53/53/19/1439535319.db2.gz STIOQHCRQNSPGT-LALPHHSUSA-N 0 0 327.388 3.423 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC1(F)CCC1 ZINC001762516170 1441376057 /nfs/dbraw/zinc/37/60/57/1441376057.db2.gz ZDDWLUIDWALIBV-UHFFFAOYSA-N 0 0 347.394 3.413 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000369079366 168399062 /nfs/dbraw/zinc/39/90/62/168399062.db2.gz UGCUYWAKNYHHGD-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC2(C1)CCCCC2 ZINC000173998209 231094683 /nfs/dbraw/zinc/09/46/83/231094683.db2.gz VLKLINOQALYCBB-UHFFFAOYSA-N 0 0 333.344 3.299 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2cccc(F)c2)c1 ZINC000049998700 214040155 /nfs/dbraw/zinc/04/01/55/214040155.db2.gz WXLFBNYRHYCRGX-INIZCTEOSA-N 0 0 327.315 3.331 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181837530 529625800 /nfs/dbraw/zinc/62/58/00/529625800.db2.gz ICKWGLVGYXZYJT-HZPDHXFCSA-N 0 0 335.404 3.304 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176463899 231656432 /nfs/dbraw/zinc/65/64/32/231656432.db2.gz DYSZCVQJQZEFBO-AWEZNQCLSA-N 0 0 334.763 3.339 10 5 EGBERN COC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000065614636 214982397 /nfs/dbraw/zinc/98/23/97/214982397.db2.gz ABCIEOJIMXLBOK-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN CCOC(=O)c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000003913753 210094336 /nfs/dbraw/zinc/09/43/36/210094336.db2.gz GXIMBGHHFSMKBH-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN CCc1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000003896274 210086210 /nfs/dbraw/zinc/08/62/10/210086210.db2.gz LJEWRLZPZZXDBA-UHFFFAOYSA-N 0 0 330.388 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000371318138 168587492 /nfs/dbraw/zinc/58/74/92/168587492.db2.gz HKXNHZAHDZLPJQ-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2Br)o1 ZINC000103287103 219283670 /nfs/dbraw/zinc/28/36/70/219283670.db2.gz GBUFGQYOGYPVSZ-UHFFFAOYSA-N 0 0 349.144 3.413 10 5 EGBERN CCOc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] ZINC000040648289 213363884 /nfs/dbraw/zinc/36/38/84/213363884.db2.gz QBRMSNSDVGZQRJ-UHFFFAOYSA-N 0 0 339.149 3.290 10 5 EGBERN COC(=O)c1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581740 213354189 /nfs/dbraw/zinc/35/41/89/213354189.db2.gz AKBRHWVIAQWSFS-UHFFFAOYSA-N 0 0 345.359 3.125 10 5 EGBERN CN(C(=O)c1cnn(CCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000181724386 234298843 /nfs/dbraw/zinc/29/88/43/234298843.db2.gz JWQKXBPUHQFAIT-UHFFFAOYSA-N 0 0 342.277 3.020 10 5 EGBERN C[C@@H](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000127545397 222854798 /nfs/dbraw/zinc/85/47/98/222854798.db2.gz XUNBVOBOPRYRFS-IIYDVTGLSA-N 0 0 325.217 3.471 10 5 EGBERN C[C@@H](c1cc(F)ccc1F)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000040153824 213274118 /nfs/dbraw/zinc/27/41/18/213274118.db2.gz RFCRHEWGLDLJMC-VIFPVBQESA-N 0 0 349.341 3.435 10 5 EGBERN C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000185785213 235749993 /nfs/dbraw/zinc/74/99/93/235749993.db2.gz IKHOVSAMDYQJCR-ZUZCIYMTSA-N 0 0 345.330 3.058 10 5 EGBERN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(NC)c([N+](=O)[O-])c1 ZINC000030542252 212700071 /nfs/dbraw/zinc/70/00/71/212700071.db2.gz YKVZBYPDDAQIRY-INIZCTEOSA-N 0 0 326.356 3.223 10 5 EGBERN Cc1cc(S(C)(=O)=O)ccc1NCc1cccc([N+](=O)[O-])c1C ZINC000072301937 216141190 /nfs/dbraw/zinc/14/11/90/216141190.db2.gz AIHRPRFGZZSTPL-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN CCC(C)(C)NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000567529124 316630641 /nfs/dbraw/zinc/63/06/41/316630641.db2.gz FVXYDENXTJWBEQ-UHFFFAOYSA-N 0 0 344.209 3.074 10 5 EGBERN C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000191778554 239293882 /nfs/dbraw/zinc/29/38/82/239293882.db2.gz UKQIJHFASDUAFX-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1NCCc1ccsc1 ZINC000231628887 242268817 /nfs/dbraw/zinc/26/88/17/242268817.db2.gz OCTWTBDENKDREH-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC000021144803 212210991 /nfs/dbraw/zinc/21/09/91/212210991.db2.gz ZFOGNQXFPHLZFG-UHFFFAOYSA-N 0 0 336.731 3.280 10 5 EGBERN CC(=O)N1N=C(c2ccccc2)O[C@]1(C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000021090554 212204176 /nfs/dbraw/zinc/20/41/76/212204176.db2.gz BZUWYCZTXNIXRA-GOSISDBHSA-N 0 0 339.351 3.316 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000078995554 217169206 /nfs/dbraw/zinc/16/92/06/217169206.db2.gz OHOKVBOXSOVAAG-ZCFIWIBFSA-N 0 0 329.179 3.382 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 ZINC000087004024 217705597 /nfs/dbraw/zinc/70/55/97/217705597.db2.gz VSPCIHWQIQSBAP-MRXNPFEDSA-N 0 0 326.352 3.167 10 5 EGBERN C[C@H]1N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC12CCOCC2 ZINC000408197349 169164634 /nfs/dbraw/zinc/16/46/34/169164634.db2.gz IAHAFJDAGCFTMD-GFCCVEGCSA-N 0 0 343.383 3.107 10 5 EGBERN O=C1OCCN1CCc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000095402831 218337138 /nfs/dbraw/zinc/33/71/38/218337138.db2.gz WJKYKNRLKAVBFL-UHFFFAOYSA-N 0 0 347.396 3.263 10 5 EGBERN COc1cccc([C@@H]2CN(c3cc(OC)ccc3[N+](=O)[O-])CCO2)c1 ZINC000268810739 252262239 /nfs/dbraw/zinc/26/22/39/252262239.db2.gz HEXZGFGNMJAIPO-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000268861773 252310077 /nfs/dbraw/zinc/31/00/77/252310077.db2.gz RPODZNLKJAEALX-FZKQIMNGSA-N 0 0 344.367 3.108 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000005453831 210466425 /nfs/dbraw/zinc/46/64/25/210466425.db2.gz JVNDNKXTXRRNLM-CYBMUJFWSA-N 0 0 344.367 3.029 10 5 EGBERN COc1ccc(C(=O)[C@@H](C)Oc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000005051299 210375374 /nfs/dbraw/zinc/37/53/74/210375374.db2.gz IIVCXJIJDAHTQV-LLVKDONJSA-N 0 0 331.324 3.262 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)NC3=O)cc1 ZINC000004929026 210327080 /nfs/dbraw/zinc/32/70/80/210327080.db2.gz CADHVGATJJKZED-HNNXBMFYSA-N 0 0 334.335 3.126 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(N2CCCC2)c1 ZINC000153557874 224122719 /nfs/dbraw/zinc/12/27/19/224122719.db2.gz ONIDGXJTVLZAOX-UHFFFAOYSA-N 0 0 333.779 3.251 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC000153617983 224131504 /nfs/dbraw/zinc/13/15/04/224131504.db2.gz OGWLLVXMLXMRRB-HNNXBMFYSA-N 0 0 343.387 3.277 10 5 EGBERN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000004830015 210291038 /nfs/dbraw/zinc/29/10/38/210291038.db2.gz GSOVUFHMSODRNL-UHFFFAOYSA-N 0 0 346.343 3.341 10 5 EGBERN O=c1[nH]c(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nc2ccc([N+](=O)[O-])cc21 ZINC000376154933 285148551 /nfs/dbraw/zinc/14/85/51/285148551.db2.gz ASMWGDNMKRKXKK-KCXRBIIJSA-N 0 0 340.383 3.259 10 5 EGBERN COC(=O)C1CCC(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181250814 533278815 /nfs/dbraw/zinc/27/88/15/533278815.db2.gz QZWQYHDQKJQEQF-IYXRBSQSSA-N 0 0 349.383 3.487 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000191662447 533520594 /nfs/dbraw/zinc/52/05/94/533520594.db2.gz LSIDQJCLGQRARG-NSHDSACASA-N 0 0 346.305 3.326 10 5 EGBERN CC(=O)c1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040609627 132403590 /nfs/dbraw/zinc/40/35/90/132403590.db2.gz XCRNBZUDCWDCNL-UHFFFAOYSA-N 0 0 341.371 3.321 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000020537458 140775976 /nfs/dbraw/zinc/77/59/76/140775976.db2.gz JHYZPXRGPLGWJP-LLVKDONJSA-N 0 0 343.339 3.249 10 5 EGBERN Cc1c(CNC(=O)c2coc(C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000338036656 141077744 /nfs/dbraw/zinc/07/77/44/141077744.db2.gz YCWWRJNGMIRFBB-UHFFFAOYSA-N 0 0 329.356 3.479 10 5 EGBERN Cc1nc(C(F)(F)F)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338091390 141092444 /nfs/dbraw/zinc/09/24/44/141092444.db2.gz MZMPVCWFEJSPLB-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000338099132 141093696 /nfs/dbraw/zinc/09/36/96/141093696.db2.gz QFYYPBXSEIWZPA-GFCCVEGCSA-N 0 0 336.344 3.221 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(Cl)s1 ZINC000341173296 141131278 /nfs/dbraw/zinc/13/12/78/141131278.db2.gz CDYRQJBPWKESSN-UHFFFAOYSA-N 0 0 346.742 3.447 10 5 EGBERN CCOC(=O)CC(C)(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000341182169 141133657 /nfs/dbraw/zinc/13/36/57/141133657.db2.gz GZRQHELXDGBHIO-LBPRGKRZSA-N 0 0 348.399 3.242 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000347884057 141209756 /nfs/dbraw/zinc/20/97/56/141209756.db2.gz VSOYYTDJOKFUKU-GXSJLCMTSA-N 0 0 345.321 3.440 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000347942889 141222388 /nfs/dbraw/zinc/22/23/88/141222388.db2.gz VNQIPACZVASTPN-HZMBPMFUSA-N 0 0 338.791 3.196 10 5 EGBERN C[C@@H](C(=O)N[C@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347995405 141230455 /nfs/dbraw/zinc/23/04/55/141230455.db2.gz ILYMJZYYLMHGGM-DIFFPNOSSA-N 0 0 343.358 3.500 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000352962309 141277999 /nfs/dbraw/zinc/27/79/99/141277999.db2.gz LLWAZLGCOIXOED-NSHDSACASA-N 0 0 336.417 3.215 10 5 EGBERN CC(C)[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000352964589 141278540 /nfs/dbraw/zinc/27/85/40/141278540.db2.gz ZEJFYKXAMYJFPR-MRXNPFEDSA-N 0 0 343.362 3.264 10 5 EGBERN Cn1ncc2ccc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)cc21 ZINC000356821827 141349131 /nfs/dbraw/zinc/34/91/31/141349131.db2.gz JSKCPAGJFXFEIL-UHFFFAOYSA-N 0 0 327.325 3.260 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)o1 ZINC000359621147 141388827 /nfs/dbraw/zinc/38/88/27/141388827.db2.gz XHOJLNJMYJPECR-JTQLQIEISA-N 0 0 342.355 3.124 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(OCc2noc(-c3ccccc3)n2)n1 ZINC000359624992 141390039 /nfs/dbraw/zinc/39/00/39/141390039.db2.gz KAACAKNWQLIANL-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(F)cc2)CC1 ZINC000046223963 142563278 /nfs/dbraw/zinc/56/32/78/142563278.db2.gz KOMFNHDRUCLASW-UHFFFAOYSA-N 0 0 328.343 3.424 10 5 EGBERN O=[N+]([O-])c1c(N2CCC(Cc3ccccn3)CC2)nc2sccn21 ZINC000171632064 144008401 /nfs/dbraw/zinc/00/84/01/144008401.db2.gz XOVLRAQQTUFNQA-UHFFFAOYSA-N 0 0 343.412 3.158 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173416716 144041825 /nfs/dbraw/zinc/04/18/25/144041825.db2.gz KOQFOUVYXPRAFV-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccn2)CC1 ZINC000173608219 144045376 /nfs/dbraw/zinc/04/53/76/144045376.db2.gz UDYRKHBWEFMXGA-UHFFFAOYSA-N 0 0 339.395 3.014 10 5 EGBERN COc1cc(OC)cc([C@@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000178253543 144067470 /nfs/dbraw/zinc/06/74/70/144067470.db2.gz HLSNOVPHSPYXTB-CYBMUJFWSA-N 0 0 343.383 3.309 10 5 EGBERN O=C(NCc1ncc(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])s1 ZINC000183891274 144081469 /nfs/dbraw/zinc/08/14/69/144081469.db2.gz VOFXCVQOHFERBR-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(COC)cs1 ZINC000185371583 144111809 /nfs/dbraw/zinc/11/18/09/144111809.db2.gz XZVKJRGFPLPQPG-GFCCVEGCSA-N 0 0 349.412 3.405 10 5 EGBERN Cc1c(CN[C@@H](C)c2cn(-c3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000185475035 144113598 /nfs/dbraw/zinc/11/35/98/144113598.db2.gz GMCVVESXTLGJLD-AWEZNQCLSA-N 0 0 337.383 3.335 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1SCc1ncccn1 ZINC000188059870 144167888 /nfs/dbraw/zinc/16/78/88/144167888.db2.gz YFOFSFWWAUABOA-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)cc1 ZINC000344633168 144202161 /nfs/dbraw/zinc/20/21/61/144202161.db2.gz RBKYTQGVEVTBPJ-UHFFFAOYSA-N 0 0 332.381 3.392 10 5 EGBERN Cc1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000344659135 144206517 /nfs/dbraw/zinc/20/65/17/144206517.db2.gz QAFDIYYQUNAVDJ-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN CC[C@@H](NC(=O)NC1(C2CC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363833410 144369791 /nfs/dbraw/zinc/36/97/91/144369791.db2.gz XOIAHRYYOXFSJJ-MRXNPFEDSA-N 0 0 347.415 3.304 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000341268878 155219420 /nfs/dbraw/zinc/21/94/20/155219420.db2.gz VZODFGRABYCDBE-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1ncc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C2CC2)n1 ZINC000341490471 155322866 /nfs/dbraw/zinc/32/28/66/155322866.db2.gz SPOWGJGGZZGMLQ-VIFPVBQESA-N 0 0 344.346 3.452 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000117614559 152106708 /nfs/dbraw/zinc/10/67/08/152106708.db2.gz VTLTYLFAAACRFY-CYBMUJFWSA-N 0 0 326.352 3.167 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccncc1 ZINC000119847823 152232779 /nfs/dbraw/zinc/23/27/79/152232779.db2.gz XFBPYSUTQSLTCP-KRWDZBQOSA-N 0 0 336.351 3.448 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000119997439 152243273 /nfs/dbraw/zinc/24/32/73/152243273.db2.gz DNEAPYSPNQWUTP-ZDUSSCGKSA-N 0 0 328.368 3.312 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000120186869 152258452 /nfs/dbraw/zinc/25/84/52/152258452.db2.gz GUYMUXQUNLJLBW-CQSZACIVSA-N 0 0 327.340 3.467 10 5 EGBERN COCc1csc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000121460313 152352045 /nfs/dbraw/zinc/35/20/45/152352045.db2.gz NEJVUSAFIVSTNL-UHFFFAOYSA-N 0 0 327.749 3.103 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cs1 ZINC000189259058 153059251 /nfs/dbraw/zinc/05/92/51/153059251.db2.gz NZSKIZUBHWZIHO-LBPRGKRZSA-N 0 0 333.373 3.124 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189821439 153098939 /nfs/dbraw/zinc/09/89/39/153098939.db2.gz HLDWNMKDHOJWEH-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CCc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2C(=O)NC)cc1 ZINC000261373465 153675175 /nfs/dbraw/zinc/67/51/75/153675175.db2.gz FXMSAFXZSKUKDQ-UHFFFAOYSA-N 0 0 327.384 3.153 10 5 EGBERN CC[C@@H](Nc1cc(OC)nc(COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000337294753 154265783 /nfs/dbraw/zinc/26/57/83/154265783.db2.gz PLQWVQXNZCMYCK-CYBMUJFWSA-N 0 0 332.360 3.103 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCCC2 ZINC000150814473 286464461 /nfs/dbraw/zinc/46/44/61/286464461.db2.gz UNYQCXLBKINLJB-CVEARBPZSA-N 0 0 347.415 3.108 10 5 EGBERN Cn1c(=O)c2ccccc2nc1SCc1csc([N+](=O)[O-])c1 ZINC000339979539 155058580 /nfs/dbraw/zinc/05/85/80/155058580.db2.gz ZABQZVHSSQFQSN-UHFFFAOYSA-N 0 0 333.394 3.196 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000341040846 155128134 /nfs/dbraw/zinc/12/81/34/155128134.db2.gz JULVWTXCZJWCQP-ZDUSSCGKSA-N 0 0 325.368 3.134 10 5 EGBERN Cc1c(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000345448097 156110342 /nfs/dbraw/zinc/11/03/42/156110342.db2.gz SIXYOWACEJAEAR-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(Cc3cccc(C(F)F)c3)n2)nc1 ZINC000346862194 156169001 /nfs/dbraw/zinc/16/90/01/156169001.db2.gz BVGVAHRZWUYMQP-UHFFFAOYSA-N 0 0 346.293 3.492 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC[C@@H](C(F)(F)F)C3)n2)nc1 ZINC000346865664 156169730 /nfs/dbraw/zinc/16/97/30/156169730.db2.gz GSGKABDKEIHXSN-DTWKUNHWSA-N 0 0 342.277 3.410 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4[nH]ccc4s3)n2)nc1 ZINC000346871400 156172032 /nfs/dbraw/zinc/17/20/32/156172032.db2.gz MYEMBAGTJKLLCP-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN Cc1cc(C)n([C@@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000348912882 156285628 /nfs/dbraw/zinc/28/56/28/156285628.db2.gz ULOJBRFLIAFSDL-OCCSQVGLSA-N 0 0 342.399 3.337 10 5 EGBERN COCc1cccc(OCC2(Cn3cc([N+](=O)[O-])c(C)n3)CCC2)c1 ZINC000358356750 156824557 /nfs/dbraw/zinc/82/45/57/156824557.db2.gz XKZNVENJGRLWDU-UHFFFAOYSA-N 0 0 345.399 3.495 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000365366265 157105769 /nfs/dbraw/zinc/10/57/69/157105769.db2.gz SNTDPOCJHODCGG-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN COc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110451238 162127631 /nfs/dbraw/zinc/12/76/31/162127631.db2.gz NFYIURIBJFJJGF-GJZGRUSLSA-N 0 0 326.352 3.137 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000133997032 162477577 /nfs/dbraw/zinc/47/75/77/162477577.db2.gz HJNGBJOPHKIXSD-UHFFFAOYSA-N 0 0 340.339 3.363 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000151152169 162571764 /nfs/dbraw/zinc/57/17/64/162571764.db2.gz TXQOVTKMBSZPDV-ZDUSSCGKSA-N 0 0 338.429 3.351 10 5 EGBERN COc1ccc(OCc2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000354316403 166002043 /nfs/dbraw/zinc/00/20/43/166002043.db2.gz MMUNMALJIKFITG-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(C(F)F)CC1 ZINC000337264866 163186470 /nfs/dbraw/zinc/18/64/70/163186470.db2.gz SRNHGAFCJQQWRX-UHFFFAOYSA-N 0 0 336.747 3.254 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C(F)F ZINC000337275460 163191951 /nfs/dbraw/zinc/19/19/51/163191951.db2.gz GAKYHCBIPDMQKV-GFCCVEGCSA-N 0 0 330.356 3.333 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCc2cnn(Cc3ccccc3)c2)c1 ZINC000338646072 163304538 /nfs/dbraw/zinc/30/45/38/163304538.db2.gz APXWGHCKAJGFBG-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccn1Cc1ccccc1 ZINC000338679622 163316100 /nfs/dbraw/zinc/31/61/00/163316100.db2.gz YQRGCTFDUKRIRX-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN COCC1(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCC1 ZINC000338736982 163335149 /nfs/dbraw/zinc/33/51/49/163335149.db2.gz WQEOPSJTRCDANY-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN COCc1cnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000340817669 163672799 /nfs/dbraw/zinc/67/27/99/163672799.db2.gz DWOKLBBJVRTING-UHFFFAOYSA-N 0 0 341.776 3.412 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Cl)cn1 ZINC000342037750 163769159 /nfs/dbraw/zinc/76/91/59/163769159.db2.gz FYTNJCMVKPZCQS-UHFFFAOYSA-N 0 0 341.701 3.127 10 5 EGBERN CCOc1ccccc1[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342633822 163928941 /nfs/dbraw/zinc/92/89/41/163928941.db2.gz PUWVRMMUPLZKNI-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000343892385 164060024 /nfs/dbraw/zinc/06/00/24/164060024.db2.gz ZHLJRWFKCQXPKO-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000344193654 164123556 /nfs/dbraw/zinc/12/35/56/164123556.db2.gz ZIWICDPEZLVYRF-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000344200015 164125143 /nfs/dbraw/zinc/12/51/43/164125143.db2.gz NRTXTTNPXLLHLI-WCQYABFASA-N 0 0 333.294 3.035 10 5 EGBERN O=C(NCC1(CCO)CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000344309225 164152125 /nfs/dbraw/zinc/15/21/25/164152125.db2.gz DDWVPOWWDJXPJR-UHFFFAOYSA-N 0 0 334.397 3.092 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345876283 164285025 /nfs/dbraw/zinc/28/50/25/164285025.db2.gz AQBDRSMWZQHPQA-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN CSCCCC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000346090851 164334352 /nfs/dbraw/zinc/33/43/52/164334352.db2.gz PZSOKAQVKAVQEA-UHFFFAOYSA-N 0 0 334.401 3.171 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)Oc3ccccc3)no2)n1 ZINC000346424507 164384393 /nfs/dbraw/zinc/38/43/93/164384393.db2.gz KZXAQLYNBYHERO-SNVBAGLBSA-N 0 0 329.316 3.001 10 5 EGBERN CCOc1ccc(C(=O)NCCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000346496163 164386375 /nfs/dbraw/zinc/38/63/75/164386375.db2.gz XLUWTEQUZHUZRE-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000346667726 164413693 /nfs/dbraw/zinc/41/36/93/164413693.db2.gz VUPYOJQSTGCKGM-UHFFFAOYSA-N 0 0 345.742 3.083 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC=C(F)C1 ZINC000347165423 164453572 /nfs/dbraw/zinc/45/35/72/164453572.db2.gz IHCKGUPMBANVGG-UHFFFAOYSA-N 0 0 344.140 3.448 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCCc2cnccn2)cc1[N+](=O)[O-] ZINC000347204598 164460599 /nfs/dbraw/zinc/46/05/99/164460599.db2.gz DSPSBGOMPCGJOS-UHFFFAOYSA-N 0 0 343.387 3.047 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348619837 164786393 /nfs/dbraw/zinc/78/63/93/164786393.db2.gz DQMPIHHNGUYDJS-SJKOYZFVSA-N 0 0 325.368 3.328 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)s1 ZINC000351612559 165103328 /nfs/dbraw/zinc/10/33/28/165103328.db2.gz WZVMJSGCCPXICJ-UHFFFAOYSA-N 0 0 338.364 3.117 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351642894 165110260 /nfs/dbraw/zinc/11/02/60/165110260.db2.gz HBCGOQSJYJFCGW-FZMZJTMJSA-N 0 0 349.412 3.059 10 5 EGBERN COc1cc(CN2CCOC[C@H]2c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000351937877 165157628 /nfs/dbraw/zinc/15/76/28/165157628.db2.gz SHNPIASAKHMYMG-HNNXBMFYSA-N 0 0 332.356 3.078 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352049595 165209690 /nfs/dbraw/zinc/20/96/90/165209690.db2.gz RLWBUTUDPUHJIP-RISCZKNCSA-N 0 0 349.412 3.059 10 5 EGBERN COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352091489 165229711 /nfs/dbraw/zinc/22/97/11/165229711.db2.gz FOHJXRZQIWJDNZ-LPHOPBHVSA-N 0 0 341.411 3.138 10 5 EGBERN O=C(NCCc1cccc(F)c1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352341324 165353342 /nfs/dbraw/zinc/35/33/42/165353342.db2.gz XAIKENJHDQAFJN-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccccc1-n1cccn1 ZINC000352349340 165356936 /nfs/dbraw/zinc/35/69/36/165356936.db2.gz DAVGLRYYGCCZNU-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN Cc1cc(N(C)Cc2cc[nH]n2)c(Br)cc1[N+](=O)[O-] ZINC000352359351 165362104 /nfs/dbraw/zinc/36/21/04/165362104.db2.gz GLILFGRUFCMCAV-UHFFFAOYSA-N 0 0 325.166 3.025 10 5 EGBERN Cc1ccc(NC(=O)NCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000352392040 165378959 /nfs/dbraw/zinc/37/89/59/165378959.db2.gz QZTSXXOAEURKPX-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN Cc1c(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355185912 166126257 /nfs/dbraw/zinc/12/62/57/166126257.db2.gz VJHBIHIVKVMZHK-SGTLLEGYSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1ccc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355186677 166126808 /nfs/dbraw/zinc/12/68/08/166126808.db2.gz WLUFURBOYSXBBW-KZULUSFZSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000355529024 166232964 /nfs/dbraw/zinc/23/29/64/166232964.db2.gz SIEDHKXDKJTOKV-INIZCTEOSA-N 0 0 330.388 3.106 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)n1 ZINC000355886649 166338050 /nfs/dbraw/zinc/33/80/50/166338050.db2.gz GMHXJLXQROPGRH-UHFFFAOYSA-N 0 0 340.126 3.352 10 5 EGBERN COc1cccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000355964092 166361256 /nfs/dbraw/zinc/36/12/56/166361256.db2.gz KLCCBLALJSGIQT-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCc2cccnc21 ZINC000356023108 166377542 /nfs/dbraw/zinc/37/75/42/166377542.db2.gz STRIWNFNEJKPIW-AWEZNQCLSA-N 0 0 342.399 3.258 10 5 EGBERN O=c1ccn(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc12 ZINC000356072036 166392808 /nfs/dbraw/zinc/39/28/08/166392808.db2.gz FRLYQRSMJLGBCQ-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2s1 ZINC000356638842 166470379 /nfs/dbraw/zinc/47/03/79/166470379.db2.gz WZEOEOTXYGDRDN-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN COc1c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356862283 166517845 /nfs/dbraw/zinc/51/78/45/166517845.db2.gz JSBJKUQNWCDQFE-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCO)Cc1ccccc1 ZINC000357199874 166611866 /nfs/dbraw/zinc/61/18/66/166611866.db2.gz DRNWDACAVUQIKZ-UHFFFAOYSA-N 0 0 348.786 3.191 10 5 EGBERN Cc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000358825584 166981257 /nfs/dbraw/zinc/98/12/57/166981257.db2.gz KZALITGYFYSOQX-UHFFFAOYSA-N 0 0 349.393 3.314 10 5 EGBERN CCCn1nccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358895996 166997745 /nfs/dbraw/zinc/99/77/45/166997745.db2.gz ZOHABUMNGAGGHI-UHFFFAOYSA-N 0 0 340.286 3.055 10 5 EGBERN Cn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1C1CCC1 ZINC000358928812 167009574 /nfs/dbraw/zinc/00/95/74/167009574.db2.gz UACQHQDMZZXWLF-UHFFFAOYSA-N 0 0 334.401 3.162 10 5 EGBERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358964037 167020704 /nfs/dbraw/zinc/02/07/04/167020704.db2.gz GWWIHKVUIAXHBI-BDAKNGLRSA-N 0 0 346.355 3.162 10 5 EGBERN COc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])c(OC)c1OC ZINC000359079906 167060626 /nfs/dbraw/zinc/06/06/26/167060626.db2.gz CMHHSDNCONKKCR-UHFFFAOYSA-N 0 0 347.371 3.245 10 5 EGBERN CCc1csc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000359109233 167069433 /nfs/dbraw/zinc/06/94/33/167069433.db2.gz NSQNOACLOYPQQF-UHFFFAOYSA-N 0 0 343.311 3.467 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359132948 167076553 /nfs/dbraw/zinc/07/65/53/167076553.db2.gz WDQDUUHTLDHJLF-UHFFFAOYSA-N 0 0 343.383 3.158 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000359169693 167087475 /nfs/dbraw/zinc/08/74/75/167087475.db2.gz BPVQDCDNCRCEKB-KSSFIOAISA-N 0 0 331.416 3.070 10 5 EGBERN CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000359262402 167109298 /nfs/dbraw/zinc/10/92/98/167109298.db2.gz BDQBFDVTWAEDQB-ZDUSSCGKSA-N 0 0 340.326 3.457 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H](C)CO2)c1 ZINC000359541172 167186571 /nfs/dbraw/zinc/18/65/71/167186571.db2.gz XQKMRHXTAVTPRL-XJKSGUPXSA-N 0 0 343.383 3.142 10 5 EGBERN Cc1ccc(CN(CCO)c2ccc([N+](=O)[O-])c(OC(F)F)c2)o1 ZINC000360243645 167280491 /nfs/dbraw/zinc/28/04/91/167280491.db2.gz WSKAMDJPCQWHBP-UHFFFAOYSA-N 0 0 342.298 3.097 10 5 EGBERN CNc1c(C(=O)N(C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000361174758 167545615 /nfs/dbraw/zinc/54/56/15/167545615.db2.gz AXXXUUNAADDALU-UHFFFAOYSA-N 0 0 331.347 3.090 10 5 EGBERN CC1(C)CC[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)O1 ZINC000362596013 167807840 /nfs/dbraw/zinc/80/78/40/167807840.db2.gz JBEQXOPKZISLPV-UKRRQHHQSA-N 0 0 336.413 3.126 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000364951407 168004243 /nfs/dbraw/zinc/00/42/43/168004243.db2.gz QFKSSYNBSWBBRJ-UHFFFAOYSA-N 0 0 345.786 3.145 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000365173553 168031235 /nfs/dbraw/zinc/03/12/35/168031235.db2.gz VZQVZYJQOQJTJI-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000368063344 168305876 /nfs/dbraw/zinc/30/58/76/168305876.db2.gz QSIQGHCABGLOPT-BDJLRTHQSA-N 0 0 333.344 3.155 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000123994021 222361728 /nfs/dbraw/zinc/36/17/28/222361728.db2.gz NPBYKIWVFCWEHD-QZTJIDSGSA-N 0 0 340.379 3.476 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1cccs1 ZINC000125322162 222548042 /nfs/dbraw/zinc/54/80/42/222548042.db2.gz NVDKVJXBIWRIBA-SNVBAGLBSA-N 0 0 340.426 3.275 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000172699075 227843373 /nfs/dbraw/zinc/84/33/73/227843373.db2.gz QUMGXPBBJPFDKT-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1cc(NC(=O)c2ccc(F)cn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161764733 264900471 /nfs/dbraw/zinc/90/04/71/264900471.db2.gz DREYNIBOOKJLNR-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN O=C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000174164461 265029164 /nfs/dbraw/zinc/02/91/64/265029164.db2.gz YEFHRGSREZUXAG-UHFFFAOYSA-N 0 0 341.367 3.213 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000175945955 265148286 /nfs/dbraw/zinc/14/82/86/265148286.db2.gz LWDUOHOEGLQIIX-UHFFFAOYSA-N 0 0 331.294 3.103 10 5 EGBERN O=C(C/C=C/c1cccc(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176130374 265159600 /nfs/dbraw/zinc/15/96/00/265159600.db2.gz DUAMFIHFGXKNAP-DUXPYHPUSA-N 0 0 328.343 3.496 10 5 EGBERN CCOc1ccc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1F ZINC000194304226 266106771 /nfs/dbraw/zinc/10/67/71/266106771.db2.gz AXJQDGYKLOTSKN-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN CCOc1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000194608017 266130616 /nfs/dbraw/zinc/13/06/16/266130616.db2.gz OJTSEZPSFMODKP-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN COC(=O)c1cc(N(C)Cc2scnc2C)cc(C)c1[N+](=O)[O-] ZINC000268478152 266283920 /nfs/dbraw/zinc/28/39/20/266283920.db2.gz KCPJMXLGHVQVAL-UHFFFAOYSA-N 0 0 335.385 3.091 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(C[C@H]3CCCO3)no2)cc(C(F)(F)F)c1 ZINC000269504752 266307971 /nfs/dbraw/zinc/30/79/71/266307971.db2.gz YLEYAASAHLNJEI-LLVKDONJSA-N 0 0 343.261 3.385 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673545 266340171 /nfs/dbraw/zinc/34/01/71/266340171.db2.gz VRUZHCRWXLRNFW-HNNXBMFYSA-N 0 0 347.440 3.096 10 5 EGBERN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000269976722 266394972 /nfs/dbraw/zinc/39/49/72/266394972.db2.gz MXQPEJKLMLFRPN-INIZCTEOSA-N 0 0 332.425 3.429 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@]1(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000275156943 267324199 /nfs/dbraw/zinc/32/41/99/267324199.db2.gz TWYASZDJBLFFPC-WMZOPIPTSA-N 0 0 349.431 3.383 10 5 EGBERN CCc1cc(N2CCC(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275372696 267352628 /nfs/dbraw/zinc/35/26/28/267352628.db2.gz NQYWUWUBGGLIOY-GFCCVEGCSA-N 0 0 340.383 3.030 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000372894452 275012770 /nfs/dbraw/zinc/01/27/70/275012770.db2.gz DWJJVZMCTKXZFF-UHFFFAOYSA-N 0 0 345.742 3.452 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]1CCCO ZINC000162453449 275032849 /nfs/dbraw/zinc/03/28/49/275032849.db2.gz ZAIFJRFBUBECAN-ZDUSSCGKSA-N 0 0 343.221 3.094 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072897213 275151993 /nfs/dbraw/zinc/15/19/93/275151993.db2.gz ZKAADDICEQAJHL-WDEREUQCSA-N 0 0 325.796 3.307 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107480636 275172695 /nfs/dbraw/zinc/17/26/95/275172695.db2.gz QEHMXAOOKQLGGT-LSDHHAIUSA-N 0 0 331.759 3.238 10 5 EGBERN CCc1cccc2c(CC(=O)NCc3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000109207110 275177576 /nfs/dbraw/zinc/17/75/76/275177576.db2.gz FFVARMPKFSHBMS-UHFFFAOYSA-N 0 0 337.379 3.497 10 5 EGBERN Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000183861226 275211012 /nfs/dbraw/zinc/21/10/12/275211012.db2.gz OTASCGZSCRVIIU-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184811138 275213686 /nfs/dbraw/zinc/21/36/86/275213686.db2.gz LNWNRAGCYKCACT-UHFFFAOYSA-N 0 0 326.400 3.011 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCOCC(F)(F)F)c2cccnc21 ZINC000184972968 275214314 /nfs/dbraw/zinc/21/43/14/275214314.db2.gz MYQPIXVORUGFKS-UHFFFAOYSA-N 0 0 330.262 3.491 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3ccoc3)no2)c2cccnc21 ZINC000184986139 275214416 /nfs/dbraw/zinc/21/44/16/275214416.db2.gz CPLIZNDOVDWOHC-UHFFFAOYSA-N 0 0 338.279 3.365 10 5 EGBERN CC(=O)NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000194888549 275229328 /nfs/dbraw/zinc/22/93/28/275229328.db2.gz YQYYIOKTPGNJJC-UHFFFAOYSA-N 0 0 347.396 3.162 10 5 EGBERN CC1(C)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000278595924 275257517 /nfs/dbraw/zinc/25/75/17/275257517.db2.gz UPGXIWLCCFEUEN-LLVKDONJSA-N 0 0 330.287 3.092 10 5 EGBERN C[C@H]1C[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279617625 275344343 /nfs/dbraw/zinc/34/43/43/275344343.db2.gz XZPGMFQGFWFJAZ-WCBMZHEXSA-N 0 0 331.294 3.069 10 5 EGBERN C[C@H]1CC(CNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281880298 275585078 /nfs/dbraw/zinc/58/50/78/275585078.db2.gz OEUAKJCCYRYAED-IUCAKERBSA-N 0 0 344.209 3.368 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282022983 275596823 /nfs/dbraw/zinc/59/68/23/275596823.db2.gz WACFPQAAUBCJNO-AWEZNQCLSA-N 0 0 341.415 3.215 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(N3CCc4cc(F)ccc43)CC2)nc1 ZINC000282147363 275606526 /nfs/dbraw/zinc/60/65/26/275606526.db2.gz BKKBTJAUXPQDHV-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282846058 275676177 /nfs/dbraw/zinc/67/61/77/275676177.db2.gz NFRSWAWSMZMEJI-ABAIWWIYSA-N 0 0 340.807 3.228 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCCC23CCOCC3)cc(C)c1[N+](=O)[O-] ZINC000283335816 275713718 /nfs/dbraw/zinc/71/37/18/275713718.db2.gz AQFYBLFJAWFPFL-HNNXBMFYSA-N 0 0 348.399 3.451 10 5 EGBERN CCC[C@@]1(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000287572302 276134801 /nfs/dbraw/zinc/13/48/01/276134801.db2.gz KDSJNSIEYPVROQ-DOTOQJQBSA-N 0 0 335.404 3.304 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000287718291 276150537 /nfs/dbraw/zinc/15/05/37/276150537.db2.gz FENCVKZXSGSHQG-PXAZEXFGSA-N 0 0 328.372 3.081 10 5 EGBERN COc1cc(Cc2noc([C@@H]3C[C@H]3C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000288964133 276272364 /nfs/dbraw/zinc/27/23/64/276272364.db2.gz AUADHOHGIBCRDO-QWHCGFSZSA-N 0 0 347.371 3.345 10 5 EGBERN CC1(C)CC[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)O1 ZINC000289153117 276297352 /nfs/dbraw/zinc/29/73/52/276297352.db2.gz NGIGOHAWUPMMPO-ZDUSSCGKSA-N 0 0 332.360 3.263 10 5 EGBERN COCC[C@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000364117368 277555351 /nfs/dbraw/zinc/55/53/51/277555351.db2.gz DZTMTMAPWZHUDW-CYBMUJFWSA-N 0 0 347.415 3.123 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000365440244 277667966 /nfs/dbraw/zinc/66/79/66/277667966.db2.gz ASFBVOLPRUXIAB-GFCCVEGCSA-N 0 0 329.400 3.256 10 5 EGBERN CC1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000063067569 278218753 /nfs/dbraw/zinc/21/87/53/278218753.db2.gz AOIVQQTUGDOBFD-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345975523 279434418 /nfs/dbraw/zinc/43/44/18/279434418.db2.gz WTGOSKJTUAVAGU-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000366610828 281648466 /nfs/dbraw/zinc/64/84/66/281648466.db2.gz TVENORLYZZHCPT-INIZCTEOSA-N 0 0 342.399 3.487 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266870824 294383753 /nfs/dbraw/zinc/38/37/53/294383753.db2.gz KFBQYPZJTLBXGB-KRWDZBQOSA-N 0 0 327.384 3.230 10 5 EGBERN COc1cccc2c1CCCCN2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000129043403 295333917 /nfs/dbraw/zinc/33/39/17/295333917.db2.gz ZLIZFWJHQRPXMW-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000110314003 297162857 /nfs/dbraw/zinc/16/28/57/297162857.db2.gz CMYOOCJLDFZCQT-CXAGYDPISA-N 0 0 326.352 3.197 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000336969895 301192267 /nfs/dbraw/zinc/19/22/67/301192267.db2.gz BXGDPGFDNLPGOS-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000408172501 302046047 /nfs/dbraw/zinc/04/60/47/302046047.db2.gz XEPLOGYUGSAJFV-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN Cc1nn(C)c(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000413527340 309035941 /nfs/dbraw/zinc/03/59/41/309035941.db2.gz DZEVWOLUBHBADT-OAHLLOKOSA-N 0 0 326.400 3.411 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC3(CCOCC3)[C@@H]2c2ccccc2)cn1 ZINC000413534496 309036228 /nfs/dbraw/zinc/03/62/28/309036228.db2.gz CNBFZZRYTMSQQL-KRWDZBQOSA-N 0 0 325.368 3.348 10 5 EGBERN C[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC000413664438 309041903 /nfs/dbraw/zinc/04/19/03/309041903.db2.gz DXCTXIVVXIXJBM-APWZRJJASA-N 0 0 337.379 3.068 10 5 EGBERN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000056437954 307343508 /nfs/dbraw/zinc/34/35/08/307343508.db2.gz POCBEZWDONITJH-ZDUSSCGKSA-N 0 0 343.383 3.112 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067536810 307366149 /nfs/dbraw/zinc/36/61/49/307366149.db2.gz JZOLMWGXUYNHKS-UHFFFAOYSA-N 0 0 343.383 3.124 10 5 EGBERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000068918722 307372972 /nfs/dbraw/zinc/37/29/72/307372972.db2.gz OYJWKQBAWFRPQL-UHFFFAOYSA-N 0 0 338.360 3.338 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cc(F)ccc1F ZINC000074242425 307391693 /nfs/dbraw/zinc/39/16/93/307391693.db2.gz MCUYTDNNJBZGBG-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN CC(=O)c1ccc(OCCOCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000119038375 307489898 /nfs/dbraw/zinc/48/98/98/307489898.db2.gz TYZOVJUOGBNQIX-UHFFFAOYSA-N 0 0 345.351 3.272 10 5 EGBERN COC(=O)c1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cc1 ZINC000119075328 307490342 /nfs/dbraw/zinc/49/03/42/307490342.db2.gz IXIYHPVQFHCJDS-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CC(=O)[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1(C)C ZINC000126192554 307565522 /nfs/dbraw/zinc/56/55/22/307565522.db2.gz ACVLNSHKTCWDQK-WKPIXPDZSA-N 0 0 330.384 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2cccc3Cl)s1 ZINC000132915777 307664504 /nfs/dbraw/zinc/66/45/04/307664504.db2.gz WMYQICBAKASWQJ-UHFFFAOYSA-N 0 0 344.801 3.061 10 5 EGBERN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000161533413 307904003 /nfs/dbraw/zinc/90/40/03/307904003.db2.gz PLUYMVPQPRCEAD-SNVBAGLBSA-N 0 0 342.417 3.205 10 5 EGBERN CC[C@H](O)CN(CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170715333 307934651 /nfs/dbraw/zinc/93/46/51/307934651.db2.gz PMJYTMITPKAQFH-INIZCTEOSA-N 0 0 330.384 3.251 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414471997 309082409 /nfs/dbraw/zinc/08/24/09/309082409.db2.gz NBORHVBCHLRYIZ-CXAGYDPISA-N 0 0 346.408 3.340 10 5 EGBERN CC[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000293907862 308172706 /nfs/dbraw/zinc/17/27/06/308172706.db2.gz GEJCBTZNNKIDGM-VIFPVBQESA-N 0 0 327.178 3.290 10 5 EGBERN C[C@]12CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]1C2(F)F ZINC000293951388 308177067 /nfs/dbraw/zinc/17/70/67/308177067.db2.gz IUHJFFYSEHOEMR-DOMZBBRYSA-N 0 0 335.310 3.193 10 5 EGBERN C[C@]12CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)C[C@H]1C2(F)F ZINC000294231209 308202253 /nfs/dbraw/zinc/20/22/53/308202253.db2.gz ZIDJEAASURUSHF-HIFRSBDPSA-N 0 0 335.310 3.193 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294244942 308203290 /nfs/dbraw/zinc/20/32/90/308203290.db2.gz BEMYXXLUXSBXDG-LUOJLBBYSA-N 0 0 342.395 3.168 10 5 EGBERN CCc1nocc1CN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000294244021 308203329 /nfs/dbraw/zinc/20/33/29/308203329.db2.gz VSSRRDDTZPJAFY-FMIVXFBMSA-N 0 0 329.356 3.207 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CNCc3nnc(C4CC4)[nH]3)o2)c1 ZINC000294688025 308246059 /nfs/dbraw/zinc/24/60/59/308246059.db2.gz CDAZRTOMASFNPX-UHFFFAOYSA-N 0 0 339.355 3.140 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295362322 308318611 /nfs/dbraw/zinc/31/86/11/308318611.db2.gz WFABMOPPARQZNA-DZGCQCFKSA-N 0 0 344.371 3.129 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c1[N+](=O)[O-] ZINC000295865845 308368698 /nfs/dbraw/zinc/36/86/98/308368698.db2.gz FDOKGHJOMOPCJK-WPRPVWTQSA-N 0 0 348.325 3.121 10 5 EGBERN CC[C@H](C)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC ZINC000296013548 308384659 /nfs/dbraw/zinc/38/46/59/308384659.db2.gz LETIMWAWDFOOQT-TVQRCGJNSA-N 0 0 328.796 3.348 10 5 EGBERN CCc1noc(C)c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297364487 308526678 /nfs/dbraw/zinc/52/66/78/308526678.db2.gz PCWZGQXMXBYXHT-UHFFFAOYSA-N 0 0 346.387 3.188 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1F)Nc1ccncc1[N+](=O)[O-] ZINC000297684762 308556134 /nfs/dbraw/zinc/55/61/34/308556134.db2.gz HBBHQHGMPCQQAS-UHFFFAOYSA-N 0 0 330.319 3.328 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](O)C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000298048296 308581471 /nfs/dbraw/zinc/58/14/71/308581471.db2.gz UPVLPHZCFKXONE-HZPDHXFCSA-N 0 0 347.415 3.135 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298393576 308610165 /nfs/dbraw/zinc/61/01/65/308610165.db2.gz RSSUHLPKJOQTNJ-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2cn3ccccc3n2)c1 ZINC000301341334 308697108 /nfs/dbraw/zinc/69/71/08/308697108.db2.gz IPPXCYOEZLRVMN-UHFFFAOYSA-N 0 0 330.319 3.045 10 5 EGBERN NC(=O)[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301354971 308697480 /nfs/dbraw/zinc/69/74/80/308697480.db2.gz KMECHWQBEMVDTA-WCBMZHEXSA-N 0 0 331.294 3.070 10 5 EGBERN COC(=O)c1cc(N2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000301673358 308710270 /nfs/dbraw/zinc/71/02/70/308710270.db2.gz RHBYPEUJGHSMPD-CQSZACIVSA-N 0 0 348.380 3.021 10 5 EGBERN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2cccnc2)no1 ZINC000301699237 308711412 /nfs/dbraw/zinc/71/14/12/308711412.db2.gz DUVYDQLJDIVMSC-CQSZACIVSA-N 0 0 340.343 3.244 10 5 EGBERN Cc1cc([C@@H]2CN(c3cc(C)c([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000301854281 308718478 /nfs/dbraw/zinc/71/84/78/308718478.db2.gz ALLLNQFAQJSKST-INIZCTEOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1ccc2c(c1)N(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC2 ZINC000301903261 308720875 /nfs/dbraw/zinc/72/08/75/308720875.db2.gz XDNMCNXEPMYXBC-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN CCOc1cc(Cl)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301948121 308722720 /nfs/dbraw/zinc/72/27/20/308722720.db2.gz HWHXHOQNQKPVCI-UHFFFAOYSA-N 0 0 347.762 3.302 10 5 EGBERN Cc1cc(N(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301959429 308723170 /nfs/dbraw/zinc/72/31/70/308723170.db2.gz PIDMXGXTLBJTQO-QGZVFWFLSA-N 0 0 325.368 3.145 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCc3c(F)cccc3Cl)nn21 ZINC000301969730 308723513 /nfs/dbraw/zinc/72/35/13/308723513.db2.gz QRTUPWFDVLRJCG-UHFFFAOYSA-N 0 0 335.726 3.085 10 5 EGBERN Cc1ccc2c(CCNc3ccc4ncc([N+](=O)[O-])n4n3)c[nH]c2c1 ZINC000302001567 308724678 /nfs/dbraw/zinc/72/46/78/308724678.db2.gz QMNNXIDAMFSRDU-UHFFFAOYSA-N 0 0 336.355 3.082 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCOc4cc(F)ccc43)nn21 ZINC000302027673 308725774 /nfs/dbraw/zinc/72/57/74/308725774.db2.gz IREVDDLBZFHFHB-GFCCVEGCSA-N 0 0 343.318 3.102 10 5 EGBERN O=[N+]([O-])c1c(NCCc2cc(F)c(F)c(F)c2)nc2sccn21 ZINC000302042278 308726510 /nfs/dbraw/zinc/72/65/10/308726510.db2.gz RWYPJCSXLOKJLT-UHFFFAOYSA-N 0 0 342.302 3.376 10 5 EGBERN Cn1c(Sc2c(F)cc([N+](=O)[O-])cc2F)nnc1C1CCC1 ZINC000302061060 308727608 /nfs/dbraw/zinc/72/76/08/308727608.db2.gz SWISAPLXZSIPOL-UHFFFAOYSA-N 0 0 326.328 3.420 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302064358 308727721 /nfs/dbraw/zinc/72/77/21/308727721.db2.gz VIWVAQCDEJMMEX-LRDDRELGSA-N 0 0 338.429 3.015 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)c2nc(C)cs2)c1 ZINC000302155507 308731149 /nfs/dbraw/zinc/73/11/49/308731149.db2.gz VZLPHOBTVNUSPA-VIFPVBQESA-N 0 0 335.385 3.362 10 5 EGBERN Cc1c([C@H](C)Nc2ncc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000302160101 308731426 /nfs/dbraw/zinc/73/14/26/308731426.db2.gz OTTSBUGGARNGFQ-JTQLQIEISA-N 0 0 342.334 3.191 10 5 EGBERN CCOc1cccc(N2CC[S@@](=O)C(CC)(CC)C2)c1[N+](=O)[O-] ZINC000302216459 308733802 /nfs/dbraw/zinc/73/38/02/308733802.db2.gz IPEXKHOQOFHUOP-HSZRJFAPSA-N 0 0 340.445 3.121 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccsc2)cc1OC(F)F ZINC000302247010 308735132 /nfs/dbraw/zinc/73/51/32/308735132.db2.gz LAEUSCQZJLIHEI-JTQLQIEISA-N 0 0 330.312 3.403 10 5 EGBERN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@H]1C(F)(F)F ZINC000302655604 308741184 /nfs/dbraw/zinc/74/11/84/308741184.db2.gz CUXSGJFPTAHVEB-SECBINFHSA-N 0 0 343.309 3.052 10 5 EGBERN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c(C)n1C ZINC000327934609 308771507 /nfs/dbraw/zinc/77/15/07/308771507.db2.gz GXAZITABRTZKMW-UHFFFAOYSA-N 0 0 339.351 3.360 10 5 EGBERN CCc1ncnc(CC)c1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000410613544 308919100 /nfs/dbraw/zinc/91/91/00/308919100.db2.gz BJTMWPIOMHYHEQ-UHFFFAOYSA-N 0 0 340.383 3.103 10 5 EGBERN CCNc1ccc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000411037834 308924111 /nfs/dbraw/zinc/92/41/11/308924111.db2.gz SQRLMLIVBKRTAU-JUIVLLAYSA-N 0 0 341.411 3.311 10 5 EGBERN CC(C)(CC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000411751153 308951520 /nfs/dbraw/zinc/95/15/20/308951520.db2.gz ACVGXLPVHBKQFV-UHFFFAOYSA-N 0 0 338.314 3.027 10 5 EGBERN CC(C)C1(c2ccccc2)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000412798057 309003222 /nfs/dbraw/zinc/00/32/22/309003222.db2.gz VCDQSCNOYVPPEJ-UHFFFAOYSA-N 0 0 339.395 3.227 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000412945060 309009275 /nfs/dbraw/zinc/00/92/75/309009275.db2.gz IYOCSAXOAZONCT-HNNXBMFYSA-N 0 0 343.358 3.051 10 5 EGBERN COC(=O)c1cccc(OCc2nc(C3CCCC3)no2)c1[N+](=O)[O-] ZINC000413018232 309012054 /nfs/dbraw/zinc/01/20/54/309012054.db2.gz QMEUUWLATOGXJU-UHFFFAOYSA-N 0 0 347.327 3.001 10 5 EGBERN Cc1cc(N2CCO[C@H](C3CCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000413469873 309033422 /nfs/dbraw/zinc/03/34/22/309033422.db2.gz BTWPXIVTFRWJCW-KRWDZBQOSA-N 0 0 327.384 3.457 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)CC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000415518118 309135990 /nfs/dbraw/zinc/13/59/90/309135990.db2.gz LRNBVVASPRWTTO-UHFFFAOYSA-N 0 0 344.314 3.310 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000417067030 309191763 /nfs/dbraw/zinc/19/17/63/309191763.db2.gz CININJUGBHJULO-MRXNPFEDSA-N 0 0 349.387 3.026 10 5 EGBERN CC[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420616271 309290211 /nfs/dbraw/zinc/29/02/11/309290211.db2.gz GRFKTHXDIPACME-ZJUUUORDSA-N 0 0 330.182 3.122 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000420632542 309291116 /nfs/dbraw/zinc/29/11/16/309291116.db2.gz AMSQBJXUYHCUIJ-LJQANCHMSA-N 0 0 338.363 3.195 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000421428155 309324164 /nfs/dbraw/zinc/32/41/64/309324164.db2.gz VAEBGTKPUAZIQE-LBPRGKRZSA-N 0 0 342.351 3.431 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000421675274 309334091 /nfs/dbraw/zinc/33/40/91/309334091.db2.gz JBTRQXXKHPZJBX-ZIAGYGMSSA-N 0 0 336.388 3.069 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000421777781 309339706 /nfs/dbraw/zinc/33/97/06/309339706.db2.gz BNHASPUTQLSYNR-SFHVURJKSA-N 0 0 332.400 3.244 10 5 EGBERN CC[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](CC)O1 ZINC000421966057 309348378 /nfs/dbraw/zinc/34/83/78/309348378.db2.gz ZAGTUKSOSDFBCD-STQMWFEESA-N 0 0 331.372 3.106 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000424099737 309429449 /nfs/dbraw/zinc/42/94/49/309429449.db2.gz GLMJMPVMHSQGST-HSZRJFAPSA-N 0 0 335.381 3.228 10 5 EGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425085615 309465607 /nfs/dbraw/zinc/46/56/07/309465607.db2.gz RTQRUXKAPKKVQS-UHFFFAOYSA-N 0 0 349.131 3.085 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000425505006 309483389 /nfs/dbraw/zinc/48/33/89/309483389.db2.gz AETURZJGKXMZGJ-AEFFLSMTSA-N 0 0 343.358 3.340 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2ccc(OC)cc2)n1 ZINC000427170797 309523752 /nfs/dbraw/zinc/52/37/52/309523752.db2.gz NNUVFJRNGHSFBC-UHFFFAOYSA-N 0 0 346.387 3.123 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000427332328 309526909 /nfs/dbraw/zinc/52/69/09/309526909.db2.gz SXCCEPJCBSRFNQ-SKDRFNHKSA-N 0 0 346.305 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC(C)(C)C)n1 ZINC000427468742 309529746 /nfs/dbraw/zinc/52/97/46/309529746.db2.gz GNGIDMJVWCYJBP-UHFFFAOYSA-N 0 0 344.415 3.500 10 5 EGBERN COC1CCC(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000427896957 309537688 /nfs/dbraw/zinc/53/76/88/309537688.db2.gz QWHTYSMJHLSURB-UHFFFAOYSA-N 0 0 326.780 3.183 10 5 EGBERN CC(C)CCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427913589 309538053 /nfs/dbraw/zinc/53/80/53/309538053.db2.gz LDXCIMASIJEWLM-UHFFFAOYSA-N 0 0 331.372 3.074 10 5 EGBERN COc1cccc(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)c1 ZINC000432227789 309655162 /nfs/dbraw/zinc/65/51/62/309655162.db2.gz GAKJZRKKXAWVAI-UHFFFAOYSA-N 0 0 325.324 3.144 10 5 EGBERN Cc1cc(Br)ccc1CN(C)c1c([N+](=O)[O-])ncn1C ZINC000433799056 309696755 /nfs/dbraw/zinc/69/67/55/309696755.db2.gz NWBAPBIQHZOROH-UHFFFAOYSA-N 0 0 339.193 3.036 10 5 EGBERN CN(C[C@H]1OCCc2ccccc21)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434947023 309722609 /nfs/dbraw/zinc/72/26/09/309722609.db2.gz MEZWNXXAMNJZMP-OAHLLOKOSA-N 0 0 333.775 3.393 10 5 EGBERN COc1ccc(NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000455093514 310344249 /nfs/dbraw/zinc/34/42/49/310344249.db2.gz BZYRJDAKGVNTGS-MCTLKSGKSA-N 0 0 343.383 3.279 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000437914472 309803225 /nfs/dbraw/zinc/80/32/25/309803225.db2.gz JLLDNLSGCGXMEG-VIFPVBQESA-N 0 0 334.307 3.020 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000438838840 309820820 /nfs/dbraw/zinc/82/08/20/309820820.db2.gz VEVBPZJPUCCDKD-CYBMUJFWSA-N 0 0 342.395 3.202 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000439162702 309827773 /nfs/dbraw/zinc/82/77/73/309827773.db2.gz ZSTZMWSJMGXCGA-DGCLKSJQSA-N 0 0 338.791 3.198 10 5 EGBERN C/C=C\C[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OCC ZINC000439717414 309838647 /nfs/dbraw/zinc/83/86/47/309838647.db2.gz FJYVOGNWAJODFQ-ZQMJAJRESA-N 0 0 348.399 3.346 10 5 EGBERN CCc1nc(C(C)(C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)no1 ZINC000441675702 309875627 /nfs/dbraw/zinc/87/56/27/309875627.db2.gz UNVUFDWDRFKKEB-UHFFFAOYSA-N 0 0 347.375 3.214 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3CCCC(C)(C)C3)n2)n1C ZINC000445608574 309944370 /nfs/dbraw/zinc/94/43/70/309944370.db2.gz DCCADKCLJBHHFL-NSHDSACASA-N 0 0 333.392 3.446 10 5 EGBERN CCOc1ccc(C(=O)NCCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000446204602 309958161 /nfs/dbraw/zinc/95/81/61/309958161.db2.gz DVIHLFIADNIPRJ-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN CCOC(=O)c1nnc(S[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000447186782 309975337 /nfs/dbraw/zinc/97/53/37/309975337.db2.gz YUYRPPIEOBBQDT-MRVPVSSYSA-N 0 0 339.398 3.476 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(F)c1Cl ZINC000447547150 309981761 /nfs/dbraw/zinc/98/17/61/309981761.db2.gz AOZYHQAPIOZOOG-UHFFFAOYSA-N 0 0 349.749 3.289 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@H](OC)C1 ZINC000447799635 309988833 /nfs/dbraw/zinc/98/88/33/309988833.db2.gz KQBZTXYLAZXLPX-WPRPVWTQSA-N 0 0 328.752 3.014 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000448882801 310022064 /nfs/dbraw/zinc/02/20/64/310022064.db2.gz DEJWPRYFXJVGMW-NSHDSACASA-N 0 0 347.396 3.200 10 5 EGBERN Cn1cc([C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000450380680 310119258 /nfs/dbraw/zinc/11/92/58/310119258.db2.gz RYMKMPNRHHUTTM-AWEZNQCLSA-N 0 0 328.376 3.404 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCOCC4(CC4)C3)n2)cc1 ZINC000450443469 310123078 /nfs/dbraw/zinc/12/30/78/310123078.db2.gz VNYZZNFFDJOZMT-UHFFFAOYSA-N 0 0 331.397 3.335 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000450506124 310127140 /nfs/dbraw/zinc/12/71/40/310127140.db2.gz HNNFAAWGVSCCTJ-CYBMUJFWSA-N 0 0 342.380 3.177 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@]2(C1)CCCOC2 ZINC000450511944 310127357 /nfs/dbraw/zinc/12/73/57/310127357.db2.gz CGSPERPQQHSEAZ-SFHVURJKSA-N 0 0 343.383 3.159 10 5 EGBERN COc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000450523297 310128134 /nfs/dbraw/zinc/12/81/34/310128134.db2.gz FVARLMQREQQQKX-GTNSWQLSSA-N 0 0 336.363 3.395 10 5 EGBERN O=C(NC1CC1)c1ccc(NCCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000450561747 310130204 /nfs/dbraw/zinc/13/02/04/310130204.db2.gz VAOLIOGYCQNQRB-UHFFFAOYSA-N 0 0 347.415 3.106 10 5 EGBERN COC(=O)c1cc(NCC(C)(C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000450608480 310133016 /nfs/dbraw/zinc/13/30/16/310133016.db2.gz DFVVFZBVNJJTRI-UHFFFAOYSA-N 0 0 343.383 3.475 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450664849 310136134 /nfs/dbraw/zinc/13/61/34/310136134.db2.gz ZWSVBSDAHYGMEU-QAPCUYQASA-N 0 0 330.359 3.208 10 5 EGBERN Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450907707 310149023 /nfs/dbraw/zinc/14/90/23/310149023.db2.gz GASXRZWTLANMJN-AWEZNQCLSA-N 0 0 341.346 3.427 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451120530 310161624 /nfs/dbraw/zinc/16/16/24/310161624.db2.gz KLMUSFDVHCPXBF-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452098033 310211893 /nfs/dbraw/zinc/21/18/93/310211893.db2.gz SPUATBYAIHDPHX-UHFFFAOYSA-N 0 0 326.418 3.183 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000452183320 310217346 /nfs/dbraw/zinc/21/73/46/310217346.db2.gz OHDUYRIEPBFHOA-STQMWFEESA-N 0 0 344.367 3.248 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c(F)cccc21 ZINC000452190218 310217668 /nfs/dbraw/zinc/21/76/68/310217668.db2.gz HWDYXMZJOZWFBC-HNNXBMFYSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000452587143 310233471 /nfs/dbraw/zinc/23/34/71/310233471.db2.gz LSEKGCJEINPMNU-BBWFWOEESA-N 0 0 332.400 3.059 10 5 EGBERN CCc1onc(C)c1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864430 310246397 /nfs/dbraw/zinc/24/63/97/310246397.db2.gz WGWFJKOWODIJRN-AWEZNQCLSA-N 0 0 343.383 3.473 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(CF)CCOCC1 ZINC000455139835 310346545 /nfs/dbraw/zinc/34/65/45/310346545.db2.gz KYANKOQAEMQOJC-UHFFFAOYSA-N 0 0 339.367 3.099 10 5 EGBERN CC(C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000456152770 310390954 /nfs/dbraw/zinc/39/09/54/310390954.db2.gz XSYLYIJKMVGTGH-UHFFFAOYSA-N 0 0 329.356 3.157 10 5 EGBERN COc1cc(C(=O)NC2CCC(C(F)F)CC2)cc([N+](=O)[O-])c1C ZINC000458182737 310490040 /nfs/dbraw/zinc/49/00/40/310490040.db2.gz QWWBHZSRDDZGOY-UHFFFAOYSA-N 0 0 342.342 3.466 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCC(C(F)F)CC1 ZINC000458576429 310510988 /nfs/dbraw/zinc/51/09/88/310510988.db2.gz JFKWAAVKNXBNSP-UHFFFAOYSA-N 0 0 341.358 3.260 10 5 EGBERN CC(C)(NC(=O)NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458877712 310524526 /nfs/dbraw/zinc/52/45/26/310524526.db2.gz AUBDMNFRUUMYTG-UHFFFAOYSA-N 0 0 349.431 3.336 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(c3ccccc3F)C2)c1 ZINC000461981569 310594222 /nfs/dbraw/zinc/59/42/22/310594222.db2.gz HNKYIWIWMPMEOZ-UHFFFAOYSA-N 0 0 330.315 3.124 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463887484 310616127 /nfs/dbraw/zinc/61/61/27/310616127.db2.gz OGDYBYAOSSSRSP-CABCVRRESA-N 0 0 333.432 3.362 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000465621642 310635024 /nfs/dbraw/zinc/63/50/24/310635024.db2.gz AXRPASYKOXXYQT-IRXDYDNUSA-N 0 0 346.431 3.275 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000480073285 310888941 /nfs/dbraw/zinc/88/89/41/310888941.db2.gz WFWCXPWGILAJJU-SJCJKPOMSA-N 0 0 338.367 3.438 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCC2=CCCOC2)cc1[N+](=O)[O-] ZINC000485499492 310978349 /nfs/dbraw/zinc/97/83/49/310978349.db2.gz CSTSQMALTIJONP-UHFFFAOYSA-N 0 0 333.388 3.361 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1Oc1ccccc1 ZINC000486021615 310986242 /nfs/dbraw/zinc/98/62/42/310986242.db2.gz YNHYEXNLWPRSEP-BFYDXBDKSA-N 0 0 329.356 3.027 10 5 EGBERN COC(=O)c1cc(NC(=O)N2C[C@H](C)CC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486857401 311000838 /nfs/dbraw/zinc/00/08/38/311000838.db2.gz KBRUPODVMVQBTR-GHMZBOCLSA-N 0 0 349.387 3.342 10 5 EGBERN COc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1CO ZINC000486951167 311003700 /nfs/dbraw/zinc/00/37/00/311003700.db2.gz PDSWORZPADBCIT-UHFFFAOYSA-N 0 0 348.380 3.070 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000487024289 311007472 /nfs/dbraw/zinc/00/74/72/311007472.db2.gz GNEILTWWWOGRIU-TZMCWYRMSA-N 0 0 330.388 3.416 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487125160 311011492 /nfs/dbraw/zinc/01/14/92/311011492.db2.gz XQYZUYRVPHIBQW-KGLIPLIRSA-N 0 0 340.383 3.227 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000487140674 311012253 /nfs/dbraw/zinc/01/22/53/311012253.db2.gz GGCWCMRPGPUZQY-ZLDLUXBVSA-N 0 0 347.415 3.193 10 5 EGBERN C[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000487720647 311035183 /nfs/dbraw/zinc/03/51/83/311035183.db2.gz NMPXWCLUTINYQS-MSOLQXFVSA-N 0 0 327.384 3.182 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487841220 311039537 /nfs/dbraw/zinc/03/95/37/311039537.db2.gz RCWKVHXLHPCLLB-NSHDSACASA-N 0 0 327.812 3.382 10 5 EGBERN CN(Cc1nccn1C(F)F)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487915020 311042731 /nfs/dbraw/zinc/04/27/31/311042731.db2.gz IMDCCYLIOAINPX-UHFFFAOYSA-N 0 0 333.298 3.371 10 5 EGBERN CC(=O)Nc1nnc(Sc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000488053797 311049318 /nfs/dbraw/zinc/04/93/18/311049318.db2.gz FFDVMLXKOYPZBC-UHFFFAOYSA-N 0 0 347.381 3.104 10 5 EGBERN Cc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C)c1 ZINC000488670168 311074519 /nfs/dbraw/zinc/07/45/19/311074519.db2.gz AAQPBMFXBSGMAZ-UHFFFAOYSA-N 0 0 342.399 3.095 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(F)c3)C[C@@H]2C)n1 ZINC000488729115 311076967 /nfs/dbraw/zinc/07/69/67/311076967.db2.gz DFAZAIXTJZZTTK-AWEZNQCLSA-N 0 0 344.390 3.461 10 5 EGBERN CC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000490038945 311130783 /nfs/dbraw/zinc/13/07/83/311130783.db2.gz MBAVBLVBXRFYHL-MRXNPFEDSA-N 0 0 330.384 3.381 10 5 EGBERN C[C@@H](NCc1cnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490583414 311146007 /nfs/dbraw/zinc/14/60/07/311146007.db2.gz VUQBTSYORIQCOB-CQSZACIVSA-N 0 0 337.383 3.085 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cccc2[nH]ccc21 ZINC000501972992 311957036 /nfs/dbraw/zinc/95/70/36/311957036.db2.gz HYCWUVOSFLKYJO-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN Cc1c(C(=O)NCCc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000503705102 311993429 /nfs/dbraw/zinc/99/34/29/311993429.db2.gz QDYCTPSCJMHHNU-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN C[C@H](Oc1ccccc1F)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504285532 312002985 /nfs/dbraw/zinc/00/29/85/312002985.db2.gz BXZQFMFESJNDJI-NEPJUHHUSA-N 0 0 344.342 3.479 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000507553223 312077320 /nfs/dbraw/zinc/07/73/20/312077320.db2.gz RFYVLDVETPJJJY-UHFFFAOYSA-N 0 0 346.408 3.271 10 5 EGBERN CCC[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508523907 312096078 /nfs/dbraw/zinc/09/60/78/312096078.db2.gz FVFPSYALTRKQIF-CYBMUJFWSA-N 0 0 329.404 3.407 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(OCC2CC2)nc1 ZINC000515311760 312276232 /nfs/dbraw/zinc/27/62/32/312276232.db2.gz VUXHZAGQYBRVNN-UHFFFAOYSA-N 0 0 329.356 3.399 10 5 EGBERN Cc1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000515494729 312285793 /nfs/dbraw/zinc/28/57/93/312285793.db2.gz YKCNPLSXDIHVKA-WBMJQRKESA-N 0 0 347.415 3.021 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C2CC2)C1 ZINC000516611464 312332571 /nfs/dbraw/zinc/33/25/71/312332571.db2.gz CDTHPBQPOLTXPZ-CQSZACIVSA-N 0 0 342.399 3.060 10 5 EGBERN COC(=O)c1c(C)c(NCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000518021113 312401467 /nfs/dbraw/zinc/40/14/67/312401467.db2.gz ATEXJKJBTWCTMW-UHFFFAOYSA-N 0 0 332.331 3.484 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC2(CCC2)C1 ZINC000518775552 312429157 /nfs/dbraw/zinc/42/91/57/312429157.db2.gz QSEKWNIATFHBCH-UHFFFAOYSA-N 0 0 327.384 3.315 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1CCC(C)C ZINC000520924546 312524813 /nfs/dbraw/zinc/52/48/13/312524813.db2.gz CQVGHSNXWCDWBL-UHFFFAOYSA-N 0 0 330.388 3.327 10 5 EGBERN CCOC(=O)c1ccnc(Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000523115545 312609613 /nfs/dbraw/zinc/60/96/13/312609613.db2.gz NUYLZGYEDFUPFE-UHFFFAOYSA-N 0 0 343.339 3.235 10 5 EGBERN CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000523417815 312618830 /nfs/dbraw/zinc/61/88/30/312618830.db2.gz TWVSYAYJUUIWIR-WDEREUQCSA-N 0 0 332.447 3.246 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000525674196 312739730 /nfs/dbraw/zinc/73/97/30/312739730.db2.gz WYSPARGNNXZFQK-GFCCVEGCSA-N 0 0 346.383 3.185 10 5 EGBERN Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000525712676 312743741 /nfs/dbraw/zinc/74/37/41/312743741.db2.gz WUXHRVHBTULTMA-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000531454109 313671909 /nfs/dbraw/zinc/67/19/09/313671909.db2.gz HORGDCQRHBFLKG-HNNXBMFYSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000531627377 313692569 /nfs/dbraw/zinc/69/25/69/313692569.db2.gz WMFURIKNRYTVIZ-UHFFFAOYSA-N 0 0 338.367 3.326 10 5 EGBERN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531888914 313726645 /nfs/dbraw/zinc/72/66/45/313726645.db2.gz SGWBXFQKRKSAGS-UHFFFAOYSA-N 0 0 340.261 3.216 10 5 EGBERN C[C@H](O)C(C)(C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000535689391 314060250 /nfs/dbraw/zinc/06/02/50/314060250.db2.gz HASUXSAHPZZZOS-LBPRGKRZSA-N 0 0 328.368 3.397 10 5 EGBERN C[C@H](NC(=O)N(C)Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000537092175 314160231 /nfs/dbraw/zinc/16/02/31/314160231.db2.gz LPWSNGYOWYBRRY-LBPRGKRZSA-N 0 0 329.356 3.203 10 5 EGBERN C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000537579793 314190447 /nfs/dbraw/zinc/19/04/47/314190447.db2.gz FQSGBENVHBQJBN-GFCCVEGCSA-N 0 0 343.358 3.207 10 5 EGBERN CCc1cccc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538240465 314234355 /nfs/dbraw/zinc/23/43/55/314234355.db2.gz YSBZPXDQWWPZOK-ZDUSSCGKSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1ccc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000538275397 314236950 /nfs/dbraw/zinc/23/69/50/314236950.db2.gz FSNCWEXLHLZZSU-LBPRGKRZSA-N 0 0 331.347 3.332 10 5 EGBERN COC(=O)c1cc(OCCc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000538674012 314263083 /nfs/dbraw/zinc/26/30/83/314263083.db2.gz UYSPUUOHDBGMRC-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN CC(C)(CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000538681374 314263707 /nfs/dbraw/zinc/26/37/07/314263707.db2.gz LNJLYMUMNBBEAQ-UHFFFAOYSA-N 0 0 339.395 3.242 10 5 EGBERN Cc1c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cccc1N(C)C ZINC000539459412 314315288 /nfs/dbraw/zinc/31/52/88/314315288.db2.gz APYUBDONUXPVLO-UHFFFAOYSA-N 0 0 342.399 3.333 10 5 EGBERN C[C@@H](O)C(C)(C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000539963298 314353671 /nfs/dbraw/zinc/35/36/71/314353671.db2.gz PCWJGQRJHPEIQA-GFCCVEGCSA-N 0 0 343.383 3.228 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000540996143 314427687 /nfs/dbraw/zinc/42/76/87/314427687.db2.gz YEOGLQGMYFXQSV-RDTXWAMCSA-N 0 0 331.416 3.359 10 5 EGBERN COc1ccc(CNC(=O)N(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000542260412 314530135 /nfs/dbraw/zinc/53/01/35/314530135.db2.gz YNRXBYZYHUCEOR-ZDUSSCGKSA-N 0 0 333.388 3.101 10 5 EGBERN Cc1cc(C)c(Cc2noc(-c3cc([N+](=O)[O-])cn3C)n2)c(C)c1 ZINC000545024426 314730467 /nfs/dbraw/zinc/73/04/67/314730467.db2.gz ZMMNLBBOKUTJMO-UHFFFAOYSA-N 0 0 326.356 3.499 10 5 EGBERN Cc1c(Cc2noc(Cn3ncc4ccccc43)n2)cccc1[N+](=O)[O-] ZINC000545076102 314732762 /nfs/dbraw/zinc/73/27/62/314732762.db2.gz TWIUJYBCXCDUMS-UHFFFAOYSA-N 0 0 349.350 3.275 10 5 EGBERN CC(C)(CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(F)(F)F ZINC000549005208 315068575 /nfs/dbraw/zinc/06/85/75/315068575.db2.gz HXDFIXRIWVFXHT-UHFFFAOYSA-N 0 0 345.321 3.487 10 5 EGBERN CC(C)(C)C1CC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000549196758 315081208 /nfs/dbraw/zinc/08/12/08/315081208.db2.gz SEYGOUKBPADBHD-UHFFFAOYSA-N 0 0 326.418 3.235 10 5 EGBERN COc1cc(NC[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000549605114 315098826 /nfs/dbraw/zinc/09/88/26/315098826.db2.gz BUFJAVDEUJSNCK-LBPRGKRZSA-N 0 0 326.368 3.343 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC000551032559 315140181 /nfs/dbraw/zinc/14/01/81/315140181.db2.gz PSUUUXCCXFWGJW-VIFPVBQESA-N 0 0 343.261 3.385 10 5 EGBERN Cc1ccc(CNc2ccc(C(N)=O)c(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000551090951 315141747 /nfs/dbraw/zinc/14/17/47/315141747.db2.gz KECJRLBKERESJG-UHFFFAOYSA-N 0 0 343.383 3.401 10 5 EGBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000552230589 315207804 /nfs/dbraw/zinc/20/78/04/315207804.db2.gz MNDQMCKCDYEHSZ-HDJSIYSDSA-N 0 0 340.383 3.143 10 5 EGBERN C[C@]1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]2C[C@H]2C1 ZINC000552315934 315212718 /nfs/dbraw/zinc/21/27/18/315212718.db2.gz UQSINZOGQIMOQN-MCBXIFIFSA-N 0 0 327.384 3.171 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000552994312 315240602 /nfs/dbraw/zinc/24/06/02/315240602.db2.gz NZQBJVQCFXRPSF-CQSZACIVSA-N 0 0 345.330 3.323 10 5 EGBERN CC(C)(C)C1CC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000555206415 315372861 /nfs/dbraw/zinc/37/28/61/315372861.db2.gz AXYGQMYDZLFIQF-UHFFFAOYSA-N 0 0 332.447 3.296 10 5 EGBERN CC(C)C1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000557624304 315522497 /nfs/dbraw/zinc/52/24/97/315522497.db2.gz CQJCNMLBQYQIHQ-UHFFFAOYSA-N 0 0 330.388 3.292 10 5 EGBERN Cc1c(CNC(=O)NCC(C)(C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000558701507 315595348 /nfs/dbraw/zinc/59/53/48/315595348.db2.gz CONAAZBTTKJEJI-UHFFFAOYSA-N 0 0 333.310 3.291 10 5 EGBERN Cn1c2ccccc2cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1=O ZINC000563354737 316004971 /nfs/dbraw/zinc/00/49/71/316004971.db2.gz OOVXTUHLGCHGPA-UHFFFAOYSA-N 0 0 349.390 3.005 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCc1cccc(F)c1F)CCCC2 ZINC000564083290 316111065 /nfs/dbraw/zinc/11/10/65/316111065.db2.gz DGTHWICCDMILFK-UHFFFAOYSA-N 0 0 334.322 3.156 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(C4CCOCC4)CC3)nc2c1 ZINC000565637791 316349699 /nfs/dbraw/zinc/34/96/99/316349699.db2.gz CKAOSNUYHKRQOV-UHFFFAOYSA-N 0 0 330.388 3.114 10 5 EGBERN COC(C)(C)CN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000571448610 317200975 /nfs/dbraw/zinc/20/09/75/317200975.db2.gz OGBGSZWPEXUNFU-UHFFFAOYSA-N 0 0 334.294 3.111 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571465593 317203060 /nfs/dbraw/zinc/20/30/60/317203060.db2.gz KAUWDVZOCITUGD-RDTXWAMCSA-N 0 0 332.400 3.118 10 5 EGBERN Cc1sc(C(=O)N2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000571864251 317258429 /nfs/dbraw/zinc/25/84/29/317258429.db2.gz ZWUJWPFZQRPHKJ-GFCCVEGCSA-N 0 0 326.443 3.322 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOCC12CCCCC2 ZINC000572481337 317345722 /nfs/dbraw/zinc/34/57/22/317345722.db2.gz NIVJBSSLWIEKQI-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573520038 317496079 /nfs/dbraw/zinc/49/60/79/317496079.db2.gz OCEGKRBAGVDQPT-WBMJQRKESA-N 0 0 344.415 3.497 10 5 EGBERN Cc1cnn(CCNc2cc(C)c([N+](=O)[O-])cc2Br)c1 ZINC000235955464 456154028 /nfs/dbraw/zinc/15/40/28/456154028.db2.gz SLQRVBJEVSQDJS-UHFFFAOYSA-N 0 0 339.193 3.283 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCOCc1ccccc1 ZINC000050422456 323214151 /nfs/dbraw/zinc/21/41/51/323214151.db2.gz MWZSMRKJBJLWRR-UHFFFAOYSA-N 0 0 343.383 3.025 10 5 EGBERN COC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000171424986 323234543 /nfs/dbraw/zinc/23/45/43/323234543.db2.gz MQUHYYWNAHBSQJ-CQSZACIVSA-N 0 0 334.759 3.366 10 5 EGBERN Cc1cc(N2CCS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171608215 323242519 /nfs/dbraw/zinc/24/25/19/323242519.db2.gz ASDVHNLTIJLDAH-GFCCVEGCSA-N 0 0 330.413 3.302 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000172272893 323274424 /nfs/dbraw/zinc/27/44/24/323274424.db2.gz LZJRNFKXHKHRMK-UHFFFAOYSA-N 0 0 349.774 3.103 10 5 EGBERN Cc1csc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166705 323644995 /nfs/dbraw/zinc/64/49/95/323644995.db2.gz CBUAYDGPLGNZAW-GHMZBOCLSA-N 0 0 334.401 3.038 10 5 EGBERN COc1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)ccc1Cl ZINC000578505715 324978862 /nfs/dbraw/zinc/97/88/62/324978862.db2.gz FGOBOFPDOSARBI-UHFFFAOYSA-N 0 0 348.786 3.346 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000579233484 325080986 /nfs/dbraw/zinc/08/09/86/325080986.db2.gz LQDRKBUXXRAEKJ-LLVKDONJSA-N 0 0 344.371 3.025 10 5 EGBERN CCc1ccccc1NC(=O)CN(C)c1c(OC)cccc1[N+](=O)[O-] ZINC000580095358 325203469 /nfs/dbraw/zinc/20/34/69/325203469.db2.gz QOTOYWBLXYJAAP-UHFFFAOYSA-N 0 0 343.383 3.241 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000580555547 325267005 /nfs/dbraw/zinc/26/70/05/325267005.db2.gz QKDNRFFEMXNGKU-UHFFFAOYSA-N 0 0 326.356 3.163 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000580902074 325307814 /nfs/dbraw/zinc/30/78/14/325307814.db2.gz GODZQDGRHVJFDA-KBPBESRZSA-N 0 0 335.404 3.030 10 5 EGBERN Cc1ccc(F)c(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c1 ZINC000581495682 325366512 /nfs/dbraw/zinc/36/65/12/325366512.db2.gz HAXRVPXORSMYJP-UHFFFAOYSA-N 0 0 342.330 3.328 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC1CCC(c2nc(C)no2)CC1 ZINC000583703945 325545136 /nfs/dbraw/zinc/54/51/36/325545136.db2.gz OWLQWOVTAZISGP-UHFFFAOYSA-N 0 0 332.360 3.433 10 5 EGBERN O=C(c1coc(C2CCCC2)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000583946648 325564799 /nfs/dbraw/zinc/56/47/99/325564799.db2.gz FSPMWMAKHLCOJR-UHFFFAOYSA-N 0 0 327.340 3.443 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[C@H](C)C1 ZINC000331147126 457138363 /nfs/dbraw/zinc/13/83/63/457138363.db2.gz ZPNGZTLSHKCPGI-CMPLNLGQSA-N 0 0 326.418 3.242 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000264512652 455227332 /nfs/dbraw/zinc/22/73/32/455227332.db2.gz YEFGKXCBJXQOGO-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894701 455245987 /nfs/dbraw/zinc/24/59/87/455245987.db2.gz LSUQPCFNXKYQGS-BMFZPTHFSA-N 0 0 340.807 3.017 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000158017498 455260346 /nfs/dbraw/zinc/26/03/46/455260346.db2.gz XLSWEIBFVVGEBJ-INIZCTEOSA-N 0 0 348.424 3.499 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000190398911 455309106 /nfs/dbraw/zinc/30/91/06/455309106.db2.gz ISDRVOUTUCFVGF-MRXNPFEDSA-N 0 0 341.367 3.226 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@@H]2CC=CCC2)C1=O ZINC000600703572 460573724 /nfs/dbraw/zinc/57/37/24/460573724.db2.gz XRZOSSHOZLMLII-ACJLOTCBSA-N 0 0 343.383 3.108 10 5 EGBERN CC(C)(C)C1CC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600710446 460575196 /nfs/dbraw/zinc/57/51/96/460575196.db2.gz DZCSIBBBMNZBMZ-WFZFXDGQSA-N 0 0 345.399 3.187 10 5 EGBERN O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000007651302 453097278 /nfs/dbraw/zinc/09/72/78/453097278.db2.gz YCKXSULSUCFUCX-UHFFFAOYSA-N 0 0 337.379 3.323 10 5 EGBERN Cc1ccccc1SCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000008175253 453173338 /nfs/dbraw/zinc/17/33/38/453173338.db2.gz JCZHWCPRVNKQOL-UHFFFAOYSA-N 0 0 345.424 3.224 10 5 EGBERN Cc1nc(-c2ccc(CNc3c([N+](=O)[O-])ncn3C)s2)cs1 ZINC000008375324 453199485 /nfs/dbraw/zinc/19/94/85/453199485.db2.gz OMSKZNFBSSXTQB-UHFFFAOYSA-N 0 0 335.414 3.434 10 5 EGBERN CC(C)c1cc(Cl)ccc1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600762339 460594853 /nfs/dbraw/zinc/59/48/53/460594853.db2.gz QUSHYARVLDUGIR-CYBMUJFWSA-N 0 0 338.795 3.041 10 5 EGBERN CC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000015411045 453571929 /nfs/dbraw/zinc/57/19/29/453571929.db2.gz CENKETBZFQTKLC-QGZVFWFLSA-N 0 0 341.367 3.109 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000600804094 460610769 /nfs/dbraw/zinc/61/07/69/460610769.db2.gz LFVLVILIYGFVTJ-LBPRGKRZSA-N 0 0 348.399 3.312 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600803554 460611079 /nfs/dbraw/zinc/61/10/79/460611079.db2.gz KMAGQURHARHSSS-LLVKDONJSA-N 0 0 341.367 3.159 10 5 EGBERN Cc1ccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000021450276 453676921 /nfs/dbraw/zinc/67/69/21/453676921.db2.gz YYMRNAREKYOPGT-ZDUSSCGKSA-N 0 0 341.367 3.045 10 5 EGBERN O=[N+]([O-])c1ccccc1SN1CCN(Cc2ccccc2)CC1 ZINC000025514613 453775654 /nfs/dbraw/zinc/77/56/54/453775654.db2.gz MJUCEPUHEIQMMI-UHFFFAOYSA-N 0 0 329.425 3.420 10 5 EGBERN C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 ZINC000026709957 453804338 /nfs/dbraw/zinc/80/43/38/453804338.db2.gz NURVYVXNXLWQOE-QMMMGPOBSA-N 0 0 325.166 3.264 10 5 EGBERN O=C1c2cccnc2-c2nccc3c4cccc([N+](=O)[O-])c4nc1c32 ZINC000027210532 453812952 /nfs/dbraw/zinc/81/29/52/453812952.db2.gz GYNPAJQTGVMZOH-UHFFFAOYSA-N 0 0 328.287 3.298 10 5 EGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000075367715 453886341 /nfs/dbraw/zinc/88/63/41/453886341.db2.gz FPHSCDZXNSPDMI-HNNXBMFYSA-N 0 0 332.331 3.160 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067516100 453937738 /nfs/dbraw/zinc/93/77/38/453937738.db2.gz MGKOIQVEJLQSDU-HUUCEWRRSA-N 0 0 326.352 3.036 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000067515570 453937901 /nfs/dbraw/zinc/93/79/01/453937901.db2.gz QTUZFKNIUBGYPC-MSOLQXFVSA-N 0 0 348.362 3.066 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NC1CCCC1 ZINC000067650034 453953515 /nfs/dbraw/zinc/95/35/15/453953515.db2.gz PBUFTUDTMYEMMU-UHFFFAOYSA-N 0 0 332.278 3.051 10 5 EGBERN O=[N+]([O-])c1ccc(N(CCO)Cc2ccsc2)c2ccncc21 ZINC000076064145 453956008 /nfs/dbraw/zinc/95/60/08/453956008.db2.gz AFGUFNQNXLVYJR-UHFFFAOYSA-N 0 0 329.381 3.203 10 5 EGBERN COc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c([N+](=O)[O-])c1 ZINC000067976612 453985794 /nfs/dbraw/zinc/98/57/94/453985794.db2.gz FNLUYELJXYIPAW-OAHLLOKOSA-N 0 0 348.742 3.199 10 5 EGBERN CC(C)CN(CC(C)(C)C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000084511012 453993501 /nfs/dbraw/zinc/99/35/01/453993501.db2.gz QWIRPBHVBTUNGS-UHFFFAOYSA-N 0 0 332.404 3.111 10 5 EGBERN COc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000042103311 453994070 /nfs/dbraw/zinc/99/40/70/453994070.db2.gz RIMFBBWSXRDCNU-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809931 454011140 /nfs/dbraw/zinc/01/11/40/454011140.db2.gz HHALCSSPVNWSRM-UKRRQHHQSA-N 0 0 348.399 3.299 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000084807813 454011293 /nfs/dbraw/zinc/01/12/93/454011293.db2.gz PWLGMRQSPVDUOR-GUTXKFCHSA-N 0 0 337.372 3.092 10 5 EGBERN COc1ccc(C(=O)NCc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000055746667 454011437 /nfs/dbraw/zinc/01/14/37/454011437.db2.gz QJPJQVCCOVMRCJ-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000055972206 454030210 /nfs/dbraw/zinc/03/02/10/454030210.db2.gz PZLXWTNJUTUPAQ-SNVBAGLBSA-N 0 0 326.399 3.004 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056088553 454037402 /nfs/dbraw/zinc/03/74/02/454037402.db2.gz AAHGZDZFHMLKKL-UHFFFAOYSA-N 0 0 340.788 3.035 10 5 EGBERN CCCCNC(=O)C1(NCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000085907143 454041551 /nfs/dbraw/zinc/04/15/51/454041551.db2.gz JAFADAHBGUQDLC-UHFFFAOYSA-N 0 0 339.461 3.365 10 5 EGBERN CC(C)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087036061 454059072 /nfs/dbraw/zinc/05/90/72/454059072.db2.gz TXKXXTJSJAUTQO-SECBINFHSA-N 0 0 329.194 3.061 10 5 EGBERN CCn1c2ccccc2[nH]c1=NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000043733069 454075908 /nfs/dbraw/zinc/07/59/08/454075908.db2.gz LEPXWCWPOJPURS-UHFFFAOYSA-N 0 0 330.369 3.009 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1(C)C ZINC000077355122 454095857 /nfs/dbraw/zinc/09/58/57/454095857.db2.gz JZNBYPMMHFXTMC-JTQLQIEISA-N 0 0 326.780 3.417 10 5 EGBERN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000089512321 454157434 /nfs/dbraw/zinc/15/74/34/454157434.db2.gz BPAXYUQDXQTOOH-GFCCVEGCSA-N 0 0 343.383 3.413 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000045457772 454161040 /nfs/dbraw/zinc/16/10/40/454161040.db2.gz FXBZDEQFRSYPNB-JTQLQIEISA-N 0 0 335.310 3.410 10 5 EGBERN CCOc1cc(N2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000089601758 454166364 /nfs/dbraw/zinc/16/63/64/454166364.db2.gz KABFRFIGGZHDQW-GOSISDBHSA-N 0 0 344.367 3.277 10 5 EGBERN O=C(Nc1cccc2c1OCCO2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130242316 454183093 /nfs/dbraw/zinc/18/30/93/454183093.db2.gz USTFCRCZBYAEKD-UHFFFAOYSA-N 0 0 339.307 3.100 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119295956 454184626 /nfs/dbraw/zinc/18/46/26/454184626.db2.gz QHROFCSVGHPAHZ-ACJLOTCBSA-N 0 0 339.395 3.370 10 5 EGBERN O=C(c1coc(Br)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148873 454201013 /nfs/dbraw/zinc/20/10/13/454201013.db2.gz SSGDGCABLRHHPM-UHFFFAOYSA-N 0 0 337.129 3.153 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)c(C1CC1)cn2S(=O)(=O)c1ccccc1 ZINC000095936908 454233346 /nfs/dbraw/zinc/23/33/46/454233346.db2.gz MDBWOUMJNXJILX-UHFFFAOYSA-N 0 0 343.364 3.059 10 5 EGBERN CCOC(=O)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000078405940 454248386 /nfs/dbraw/zinc/24/83/86/454248386.db2.gz ZAEGGIXYGNKWHM-AWEZNQCLSA-N 0 0 329.356 3.057 10 5 EGBERN CCc1nnc(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000078458713 454256338 /nfs/dbraw/zinc/25/63/38/454256338.db2.gz IDXVHESCAXKMHV-NSHDSACASA-N 0 0 335.389 3.282 10 5 EGBERN COc1ccc(OC)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131510367 454260387 /nfs/dbraw/zinc/26/03/87/454260387.db2.gz WTIBJAANWABYJN-UHFFFAOYSA-N 0 0 328.368 3.170 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000072042932 454269209 /nfs/dbraw/zinc/26/92/09/454269209.db2.gz DIAGCXBDQIVJHO-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN Cc1c(Br)c(N2CCc3ncccc3C2)ncc1[N+](=O)[O-] ZINC000612448988 460631671 /nfs/dbraw/zinc/63/16/71/460631671.db2.gz CWJIKUROKMUIAS-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN Cc1cc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)ncc1[N+](=O)[O-] ZINC000120405770 454297556 /nfs/dbraw/zinc/29/75/56/454297556.db2.gz YTGGBDLJUVIBGM-ZDUSSCGKSA-N 0 0 348.790 3.394 10 5 EGBERN Cc1c(C(=O)N2CCO[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120413175 454298288 /nfs/dbraw/zinc/29/82/88/454298288.db2.gz YWFDOXNBYRWPQN-HNNXBMFYSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1c(NCc2nc(C(F)(F)F)cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000090371102 454298862 /nfs/dbraw/zinc/29/88/62/454298862.db2.gz XPZMBELRYHLAME-UHFFFAOYSA-N 0 0 328.250 3.030 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cn1 ZINC000072529523 454304036 /nfs/dbraw/zinc/30/40/36/454304036.db2.gz VGWUETJRHKNNAL-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN CCc1ccc(CC)c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000072548540 454307887 /nfs/dbraw/zinc/30/78/87/454307887.db2.gz ZTPTVJQGEARYQJ-UHFFFAOYSA-N 0 0 330.388 3.290 10 5 EGBERN Cc1cc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC000072679943 454327197 /nfs/dbraw/zinc/32/71/97/454327197.db2.gz LHZMVCIJINTHSO-LLVKDONJSA-N 0 0 344.371 3.380 10 5 EGBERN COc1ccc(C(=O)CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000061650581 454350994 /nfs/dbraw/zinc/35/09/94/454350994.db2.gz IOYVUOQXECREGP-UHFFFAOYSA-N 0 0 346.314 3.344 10 5 EGBERN Cc1c(C(=O)N(CCc2nccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000132810153 454367590 /nfs/dbraw/zinc/36/75/90/454367590.db2.gz CLVRKFZILUDXHQ-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN O=[N+]([O-])c1ccc2sc(-c3nc(Cn4cccn4)no3)cc2c1 ZINC000073342375 454424590 /nfs/dbraw/zinc/42/45/90/454424590.db2.gz USNQCYWMGQCVTR-UHFFFAOYSA-N 0 0 327.325 3.104 10 5 EGBERN O=C1NCCCC[C@H]1Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000091479128 454440358 /nfs/dbraw/zinc/44/03/58/454440358.db2.gz KBNLDXCYZRAJEW-QGZVFWFLSA-N 0 0 342.351 3.435 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)cn2)C[C@H](C)O1 ZINC000064029560 454465284 /nfs/dbraw/zinc/46/52/84/454465284.db2.gz SBMRQLXSOFQROZ-TXEJJXNPSA-N 0 0 348.428 3.277 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(OC)c1 ZINC000121966770 454499948 /nfs/dbraw/zinc/49/99/48/454499948.db2.gz DQHGGZLMEYHLAJ-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)c2cc(C)oc2C)c1 ZINC000080648720 454611246 /nfs/dbraw/zinc/61/12/46/454611246.db2.gz GECUEWINQVJSBY-INIZCTEOSA-N 0 0 338.335 3.272 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000080765154 454631032 /nfs/dbraw/zinc/63/10/32/454631032.db2.gz JZYBVPMJOYUGSM-VIFPVBQESA-N 0 0 338.360 3.301 10 5 EGBERN O=Cc1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000105567345 454644338 /nfs/dbraw/zinc/64/43/38/454644338.db2.gz XSJYDBQBHLFVJY-UHFFFAOYSA-N 0 0 333.212 3.016 10 5 EGBERN O=[N+]([O-])c1ncccc1OCc1c(F)cccc1Br ZINC000092853643 454645860 /nfs/dbraw/zinc/64/58/60/454645860.db2.gz ORCJXDAHSYKNQD-UHFFFAOYSA-N 0 0 327.109 3.470 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)s1 ZINC000066000564 454648902 /nfs/dbraw/zinc/64/89/02/454648902.db2.gz UJBSLLZUCWRZLV-JTQLQIEISA-N 0 0 344.439 3.244 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc(O)c(OC)c2)c1 ZINC000092926454 454655136 /nfs/dbraw/zinc/65/51/36/454655136.db2.gz DCWANZROZZMRRK-UHFFFAOYSA-N 0 0 336.319 3.093 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000080971263 454662199 /nfs/dbraw/zinc/66/21/99/454662199.db2.gz MHMQBECUQBUTFY-UHFFFAOYSA-N 0 0 342.399 3.185 10 5 EGBERN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000106526811 454699080 /nfs/dbraw/zinc/69/90/80/454699080.db2.gz WXOXFUJXZYCXHB-IIDMSEBBSA-N 0 0 336.347 3.304 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000176328570 454729659 /nfs/dbraw/zinc/72/96/59/454729659.db2.gz AHEJYSMNQCGRPK-ZDUSSCGKSA-N 0 0 345.359 3.470 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000107417374 454756379 /nfs/dbraw/zinc/75/63/79/454756379.db2.gz DUNKMBZUXFQHMG-UHFFFAOYSA-N 0 0 333.319 3.406 10 5 EGBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000137176585 454770899 /nfs/dbraw/zinc/77/08/99/454770899.db2.gz CIWIXDPZKDPFLU-RXMQYKEDSA-N 0 0 347.133 3.255 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153308718 454781112 /nfs/dbraw/zinc/78/11/12/454781112.db2.gz AFZUXDQAKPGFPE-LBPRGKRZSA-N 0 0 344.415 3.275 10 5 EGBERN Cc1nnc([C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604606 454787078 /nfs/dbraw/zinc/78/70/78/454787078.db2.gz GPSPDLLJGSVHSL-SJCJKPOMSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1nnc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604834 454787268 /nfs/dbraw/zinc/78/72/68/454787268.db2.gz GPSPDLLJGSVHSL-PXAZEXFGSA-N 0 0 337.383 3.462 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000108946478 454817310 /nfs/dbraw/zinc/81/73/10/454817310.db2.gz DRBJRJSBWKEZEO-CYBMUJFWSA-N 0 0 347.806 3.143 10 5 EGBERN Cc1cc(N(C)C[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000141009115 454826396 /nfs/dbraw/zinc/82/63/96/454826396.db2.gz IDXASSPSGNYMOU-MRXNPFEDSA-N 0 0 342.399 3.366 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160508198 455467173 /nfs/dbraw/zinc/46/71/73/455467173.db2.gz ASIRTCCAOKYSQP-ZDUSSCGKSA-N 0 0 345.374 3.207 10 5 EGBERN CCc1ccc(CN(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000145576226 454853511 /nfs/dbraw/zinc/85/35/11/454853511.db2.gz HUVFFGODDYJSGV-UHFFFAOYSA-N 0 0 328.368 3.438 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000163974637 454870794 /nfs/dbraw/zinc/87/07/94/454870794.db2.gz WLTDRLTTYWYDMB-HNNXBMFYSA-N 0 0 340.383 3.015 10 5 EGBERN CC(C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126176212 454875935 /nfs/dbraw/zinc/87/59/35/454875935.db2.gz DKSKWIQKFDHQHT-CYBMUJFWSA-N 0 0 340.445 3.261 10 5 EGBERN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000149364222 454876003 /nfs/dbraw/zinc/87/60/03/454876003.db2.gz RPINSGPAPBDOSF-INIZCTEOSA-N 0 0 342.351 3.019 10 5 EGBERN CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000150721397 454883938 /nfs/dbraw/zinc/88/39/38/454883938.db2.gz VHNAKHDIGFHCCY-LBPRGKRZSA-N 0 0 349.412 3.396 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150789515 454892907 /nfs/dbraw/zinc/89/29/07/454892907.db2.gz LAFNBQQYMJSNFV-HOTGVXAUSA-N 0 0 332.400 3.405 10 5 EGBERN COc1cc(C)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000154527005 454904489 /nfs/dbraw/zinc/90/44/89/454904489.db2.gz IEQOUDUETXPYSS-UHFFFAOYSA-N 0 0 342.351 3.123 10 5 EGBERN O=C(CCc1ccccc1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154696357 454920569 /nfs/dbraw/zinc/92/05/69/454920569.db2.gz ZRYLWWSHZYVWQB-UHFFFAOYSA-N 0 0 340.379 3.424 10 5 EGBERN COc1ccc(COc2cc([N+](=O)[O-])ccc2-n2ncnc2C)cc1 ZINC000113657415 454933164 /nfs/dbraw/zinc/93/31/64/454933164.db2.gz IXSGUTOUTHCMQB-UHFFFAOYSA-N 0 0 340.339 3.072 10 5 EGBERN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185057118 455493347 /nfs/dbraw/zinc/49/33/47/455493347.db2.gz QEHTYPRAHBKLCY-GFCCVEGCSA-N 0 0 334.401 3.039 10 5 EGBERN COc1ccccc1NC(=O)CNc1c(C)ccc([N+](=O)[O-])c1C ZINC000155025299 454955217 /nfs/dbraw/zinc/95/52/17/454955217.db2.gz ZEPFMJNRAOXWFD-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)OC(C)(C)C)C(C)C ZINC000127414683 454962316 /nfs/dbraw/zinc/96/23/16/454962316.db2.gz YXMBTSQVMDDCHM-UHFFFAOYSA-N 0 0 336.388 3.096 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000115259295 455008175 /nfs/dbraw/zinc/00/81/75/455008175.db2.gz URKLUWUMUUPZAM-JOCHJYFZSA-N 0 0 338.410 3.096 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000115589463 455022156 /nfs/dbraw/zinc/02/21/56/455022156.db2.gz WKPLSGRFROKSDU-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000151743451 455024884 /nfs/dbraw/zinc/02/48/84/455024884.db2.gz HGRYFMDJZCBIAO-UONOGXRCSA-N 0 0 332.306 3.293 10 5 EGBERN CCC(CC)CN(CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151792455 455031826 /nfs/dbraw/zinc/03/18/26/455031826.db2.gz REBJIUUPICXQEK-UHFFFAOYSA-N 0 0 328.434 3.183 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000152081050 455070817 /nfs/dbraw/zinc/07/08/17/455070817.db2.gz ICWXKUSQJOWYQO-LSDHHAIUSA-N 0 0 346.333 3.335 10 5 EGBERN CCC(CC)(CC)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155999271 455070954 /nfs/dbraw/zinc/07/09/54/455070954.db2.gz BVARTIONGYKTAF-UHFFFAOYSA-N 0 0 328.434 3.231 10 5 EGBERN O=C(NCCCOC1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156029732 455074002 /nfs/dbraw/zinc/07/40/02/455074002.db2.gz FTYSQMYNJNUBFG-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000118268314 455101861 /nfs/dbraw/zinc/10/18/61/455101861.db2.gz YOLYOTAOTIQKHP-XJKSGUPXSA-N 0 0 334.416 3.474 10 5 EGBERN Cc1sc(C(=O)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000156299588 455102693 /nfs/dbraw/zinc/10/26/93/455102693.db2.gz UTYSVWKXMFEFCI-UHFFFAOYSA-N 0 0 347.396 3.079 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cncc(Cl)c1Cl ZINC000180125037 455135978 /nfs/dbraw/zinc/13/59/78/455135978.db2.gz HBKPZTOGFJBGRP-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN Cc1nc(CS(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180144131 455139057 /nfs/dbraw/zinc/13/90/57/455139057.db2.gz WVBZTHRZSAUTCO-JTQLQIEISA-N 0 0 340.426 3.344 10 5 EGBERN CN(Cc1ccncc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600982298 460665313 /nfs/dbraw/zinc/66/53/13/460665313.db2.gz SXMUOAZWESQAKL-UHFFFAOYSA-N 0 0 325.368 3.070 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000172699072 455175041 /nfs/dbraw/zinc/17/50/41/455175041.db2.gz QUMGXPBBJPFDKT-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000180587774 455203155 /nfs/dbraw/zinc/20/31/55/455203155.db2.gz DMKISPTZQOHGKT-AWEZNQCLSA-N 0 0 329.360 3.385 10 5 EGBERN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000157543084 455206150 /nfs/dbraw/zinc/20/61/50/455206150.db2.gz XQCZMWXRWKSCLY-INIZCTEOSA-N 0 0 328.372 3.307 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000183327316 455278048 /nfs/dbraw/zinc/27/80/48/455278048.db2.gz LNRNWIQZSNQINM-UHFFFAOYSA-N 0 0 349.337 3.252 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2Cc3ccccc3[C@H]2O)cc1OC(F)F ZINC000181067399 455282990 /nfs/dbraw/zinc/28/29/90/455282990.db2.gz QUBXSNYNYQLVHB-SWLSCSKDSA-N 0 0 336.294 3.266 10 5 EGBERN Cc1nc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)sc1C ZINC000183372093 455284136 /nfs/dbraw/zinc/28/41/36/455284136.db2.gz CRPNLEURIDCGJW-UHFFFAOYSA-N 0 0 346.456 3.299 10 5 EGBERN COC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000612577423 460666637 /nfs/dbraw/zinc/66/66/37/460666637.db2.gz JPMGRSLYELUJIN-UHFFFAOYSA-N 0 0 326.352 3.206 10 5 EGBERN CC[C@H](NCc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538285 455351852 /nfs/dbraw/zinc/35/18/52/455351852.db2.gz REJWFCAUTHXMKT-AWEZNQCLSA-N 0 0 328.328 3.479 10 5 EGBERN O=C(NC1CC1)c1ccccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000184425579 455379558 /nfs/dbraw/zinc/37/95/58/455379558.db2.gz LGHRLNXOFPQEIZ-UHFFFAOYSA-N 0 0 325.368 3.142 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000159826549 455407232 /nfs/dbraw/zinc/40/72/32/455407232.db2.gz MJEDJPOLOXYCGK-LBPRGKRZSA-N 0 0 346.358 3.471 10 5 EGBERN Cc1ccnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000266305377 455426863 /nfs/dbraw/zinc/42/68/63/455426863.db2.gz ZGPBXYXXJRTBJR-IUODEOHRSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175429685 455447494 /nfs/dbraw/zinc/44/74/94/455447494.db2.gz UGXPDPWCPHUCEH-ZDUSSCGKSA-N 0 0 348.790 3.058 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] ZINC000246262150 455459193 /nfs/dbraw/zinc/45/91/93/455459193.db2.gz JRQPPMXYHLIDHB-XJKCOSOUSA-N 0 0 328.393 3.280 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000191458135 455486927 /nfs/dbraw/zinc/48/69/27/455486927.db2.gz AWNQHAHMEXOERN-UHFFFAOYSA-N 0 0 346.431 3.242 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000191469515 455487383 /nfs/dbraw/zinc/48/73/83/455487383.db2.gz ZKHOKVGPVZGTGI-AWEZNQCLSA-N 0 0 348.790 3.346 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC3CCCC3)c2)n1 ZINC000191498619 455490765 /nfs/dbraw/zinc/49/07/65/455490765.db2.gz QLYDQYBZBSMHTL-UHFFFAOYSA-N 0 0 344.371 3.385 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)n1 ZINC000191658106 455507185 /nfs/dbraw/zinc/50/71/85/455507185.db2.gz NMWMHOHPPHIREI-ZUZCIYMTSA-N 0 0 346.362 3.004 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)n1 ZINC000191715962 455512820 /nfs/dbraw/zinc/51/28/20/455512820.db2.gz IRNYASXEHFGEMV-UHFFFAOYSA-N 0 0 348.378 3.391 10 5 EGBERN Cc1ncc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601013489 460675040 /nfs/dbraw/zinc/67/50/40/460675040.db2.gz DDBXUCSNBSBYQX-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN COC(=O)c1cc(NCc2c(C)cc(C)[nH]c2=O)cc(C)c1[N+](=O)[O-] ZINC000267967816 455571577 /nfs/dbraw/zinc/57/15/77/455571577.db2.gz MTOSKUYJNSKXAU-UHFFFAOYSA-N 0 0 345.355 3.019 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000182711902 455574075 /nfs/dbraw/zinc/57/40/75/455574075.db2.gz WTDJKEHQSPLBCV-UHFFFAOYSA-N 0 0 326.352 3.110 10 5 EGBERN Cc1cc(OCC(=O)Nc2cc(F)cc(F)c2)c(F)cc1[N+](=O)[O-] ZINC000185661233 455590989 /nfs/dbraw/zinc/59/09/89/455590989.db2.gz CMLJPBMIFFQMRJ-UHFFFAOYSA-N 0 0 340.257 3.338 10 5 EGBERN COc1cc(NCC2(SC)CCOCC2)c([N+](=O)[O-])cc1F ZINC000268140378 455600615 /nfs/dbraw/zinc/60/06/15/455600615.db2.gz CFKHZORUMVLDIH-UHFFFAOYSA-N 0 0 330.381 3.067 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277782579 455664952 /nfs/dbraw/zinc/66/49/52/455664952.db2.gz NWNZXLSWLHHIMZ-OSMZGAPFSA-N 0 0 332.322 3.291 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000192788354 455693601 /nfs/dbraw/zinc/69/36/01/455693601.db2.gz HCBZKQINTGTUJE-ZDUSSCGKSA-N 0 0 342.399 3.124 10 5 EGBERN C[C@@H](NC(=O)NCC1(CCO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271685175 455721723 /nfs/dbraw/zinc/72/17/23/455721723.db2.gz CVKJHPAIDNDVJS-CQSZACIVSA-N 0 0 349.431 3.288 10 5 EGBERN O=C(NCC1(O)CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278079168 455752563 /nfs/dbraw/zinc/75/25/63/455752563.db2.gz GZKANMUPSJYDSW-UHFFFAOYSA-N 0 0 336.391 3.129 10 5 EGBERN CO[C@@H](C)c1nc(CNc2ncc(Cl)cc2[N+](=O)[O-])cs1 ZINC000269382687 455846512 /nfs/dbraw/zinc/84/65/12/455846512.db2.gz PWXZCCJZOBJJAQ-ZETCQYMHSA-N 0 0 328.781 3.419 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)s1 ZINC000270015362 455858091 /nfs/dbraw/zinc/85/80/91/455858091.db2.gz BTQUKTGKSGWRAD-UHFFFAOYSA-N 0 0 344.396 3.156 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187312484 455894496 /nfs/dbraw/zinc/89/44/96/455894496.db2.gz QUPJJQBWISGQJN-YPMHNXCESA-N 0 0 338.429 3.149 10 5 EGBERN COc1ccc(F)cc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000187674015 455936445 /nfs/dbraw/zinc/93/64/45/455936445.db2.gz DCSQMKHEEQGZKO-UHFFFAOYSA-N 0 0 347.346 3.084 10 5 EGBERN COCC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccco1 ZINC000272540349 455986870 /nfs/dbraw/zinc/98/68/70/455986870.db2.gz RRVCGTAGFORTNR-AWEZNQCLSA-N 0 0 348.355 3.473 10 5 EGBERN CCOCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280575900 456004042 /nfs/dbraw/zinc/00/40/42/456004042.db2.gz KVBPIMGJKPXPEZ-UHFFFAOYSA-N 0 0 331.166 3.031 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(C)o2)cc1OC ZINC000198342774 456004500 /nfs/dbraw/zinc/00/45/00/456004500.db2.gz YSUORUMHMIDRCQ-LLVKDONJSA-N 0 0 348.355 3.395 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000188131819 456005030 /nfs/dbraw/zinc/00/50/30/456005030.db2.gz JZNQITVPUYTGGI-FRFSOERESA-N 0 0 334.416 3.047 10 5 EGBERN CCn1ccnc1[C@@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296749888 456027812 /nfs/dbraw/zinc/02/78/12/456027812.db2.gz KJVUXLWHIPXKIT-HNNXBMFYSA-N 0 0 340.387 3.419 10 5 EGBERN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270780210 456036703 /nfs/dbraw/zinc/03/67/03/456036703.db2.gz ONSLUYXHLRXOTP-GDBMZVCRSA-N 0 0 334.326 3.125 10 5 EGBERN COc1ccc(C)cc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601103043 460711342 /nfs/dbraw/zinc/71/13/42/460711342.db2.gz LHVKAFAFPFYWGP-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN COC(=O)c1cc(C)nc(NCc2cc(C)c(O)c(C)c2)c1[N+](=O)[O-] ZINC000286429836 456046277 /nfs/dbraw/zinc/04/62/77/456046277.db2.gz PWCKSKQONDTDMZ-UHFFFAOYSA-N 0 0 345.355 3.019 10 5 EGBERN COCc1cccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601104527 460711855 /nfs/dbraw/zinc/71/18/55/460711855.db2.gz AAMGNQLOLQFNTE-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN Cc1ccccc1[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000270894571 456061447 /nfs/dbraw/zinc/06/14/47/456061447.db2.gz DETMLGSYBGZHBD-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272806198 456074557 /nfs/dbraw/zinc/07/45/57/456074557.db2.gz IMXIPXQSKHGMLU-RISCZKNCSA-N 0 0 339.417 3.399 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000296986749 456084464 /nfs/dbraw/zinc/08/44/64/456084464.db2.gz QWJSSHZNYCPIJC-SFYZADRCSA-N 0 0 349.284 3.119 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1OC1CCC1 ZINC000301306015 456087611 /nfs/dbraw/zinc/08/76/11/456087611.db2.gz YMOGPJZMLPOSFQ-UHFFFAOYSA-N 0 0 341.367 3.237 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000301371795 456101289 /nfs/dbraw/zinc/10/12/89/456101289.db2.gz VMUYBOVWGMKQOZ-INIZCTEOSA-N 0 0 333.363 3.457 10 5 EGBERN COc1cc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057993 456115735 /nfs/dbraw/zinc/11/57/35/456115735.db2.gz BGGNGKDOMQFSEV-XHDPSFHLSA-N 0 0 334.351 3.027 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271072454 456118023 /nfs/dbraw/zinc/11/80/23/456118023.db2.gz YQVZZRSMUDWWII-MSOLQXFVSA-N 0 0 342.395 3.156 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2c(F)cccc2F)c1 ZINC000301470739 456123027 /nfs/dbraw/zinc/12/30/27/456123027.db2.gz JFYDWUQZXXCVKH-CYBMUJFWSA-N 0 0 342.273 3.166 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ncc(F)cc3[N+](=O)[O-])C2)c1 ZINC000601111780 460714558 /nfs/dbraw/zinc/71/45/58/460714558.db2.gz WRRBWWBVJXUJSF-LBPRGKRZSA-N 0 0 346.362 3.076 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000301520479 456137240 /nfs/dbraw/zinc/13/72/40/456137240.db2.gz GQKYFZPQJOJFOP-ZDUSSCGKSA-N 0 0 346.225 3.351 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000301661712 456177756 /nfs/dbraw/zinc/17/77/56/456177756.db2.gz MUKGOQHFSZHYBT-IOHRGPAYSA-N 0 0 346.383 3.151 10 5 EGBERN CC(C)[C@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000301700559 456190916 /nfs/dbraw/zinc/19/09/16/456190916.db2.gz FMXFTLYSLIWYFA-ZDUSSCGKSA-N 0 0 340.343 3.244 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000297356590 456197253 /nfs/dbraw/zinc/19/72/53/456197253.db2.gz BSGPORKUXJUWHQ-XHDPSFHLSA-N 0 0 342.355 3.157 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCc2ccccc2C1 ZINC000290057091 456227965 /nfs/dbraw/zinc/22/79/65/456227965.db2.gz BQYMAXCZHQMYOE-UHFFFAOYSA-N 0 0 349.394 3.343 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCOc3cccc4ccccc43)nn21 ZINC000301855700 456234149 /nfs/dbraw/zinc/23/41/49/456234149.db2.gz YVTFGUHQMPXHIV-UHFFFAOYSA-N 0 0 349.350 3.282 10 5 EGBERN Cc1occc1C(=O)NC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263883778 456254506 /nfs/dbraw/zinc/25/45/06/456254506.db2.gz RETKRRQAKDYYAZ-UHFFFAOYSA-N 0 0 343.383 3.203 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC/C=C/c2ccccc2)s1 ZINC000301940145 456256259 /nfs/dbraw/zinc/25/62/59/456256259.db2.gz UFQSTTWYHUTRJX-VMPITWQZSA-N 0 0 338.410 3.185 10 5 EGBERN CN(Cc1nc(C(F)(F)F)cs1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000301984415 456263888 /nfs/dbraw/zinc/26/38/88/456263888.db2.gz BCVRPIYSIMWBAF-UHFFFAOYSA-N 0 0 347.318 3.199 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000302016524 456269330 /nfs/dbraw/zinc/26/93/30/456269330.db2.gz CIXGMECYFVTYLK-KRWDZBQOSA-N 0 0 328.368 3.013 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000281586617 456270880 /nfs/dbraw/zinc/27/08/80/456270880.db2.gz SZMGAXHHWSBGEO-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1COC2(CCCCC2)O1 ZINC000302047941 456275515 /nfs/dbraw/zinc/27/55/15/456275515.db2.gz YXWHNVJJEWJWGD-NSHDSACASA-N 0 0 327.768 3.131 10 5 EGBERN COc1cc(C(=O)Nc2scnc2C2CC2)c([N+](=O)[O-])cc1OC ZINC000342869881 456285186 /nfs/dbraw/zinc/28/51/86/456285186.db2.gz HFQVGRJJXWQJFN-UHFFFAOYSA-N 0 0 349.368 3.198 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000601135309 460725316 /nfs/dbraw/zinc/72/53/16/460725316.db2.gz UAOAWWLCPUJBKX-NSHDSACASA-N 0 0 337.738 3.440 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000302178156 456308040 /nfs/dbraw/zinc/30/80/40/456308040.db2.gz XGDDNQQQAWTNMY-ZDUSSCGKSA-N 0 0 335.335 3.134 10 5 EGBERN Cc1cccnc1CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297886985 456317450 /nfs/dbraw/zinc/31/74/50/456317450.db2.gz RHUUSIXIAPOYDH-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CCC1(CC)CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[S@@]1=O ZINC000302231348 456324884 /nfs/dbraw/zinc/32/48/84/456324884.db2.gz XLPCZJCUKFDKLM-QFIPXVFZSA-N 0 0 332.372 3.001 10 5 EGBERN COc1ccc2c(c1)nc(CNc1ncc([N+](=O)[O-])cc1Cl)n2C ZINC000302236083 456326361 /nfs/dbraw/zinc/32/63/61/456326361.db2.gz FREZYKGWQKFNKL-UHFFFAOYSA-N 0 0 347.762 3.151 10 5 EGBERN COC[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000342941368 456326669 /nfs/dbraw/zinc/32/66/69/456326669.db2.gz WKFPAQFXWXIPCW-OAHLLOKOSA-N 0 0 340.339 3.043 10 5 EGBERN CC(C)c1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000302387234 456338979 /nfs/dbraw/zinc/33/89/79/456338979.db2.gz HSZQPOSEOOHNQQ-INIZCTEOSA-N 0 0 340.383 3.312 10 5 EGBERN CCCC[C@@H](COC)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275891426 456342680 /nfs/dbraw/zinc/34/26/80/456342680.db2.gz RTHSSGUVSTYDSI-LBPRGKRZSA-N 0 0 328.796 3.492 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C(F)F ZINC000337292160 456344143 /nfs/dbraw/zinc/34/41/43/456344143.db2.gz ONYUAWTYLHESNJ-ZDUSSCGKSA-N 0 0 327.331 3.043 10 5 EGBERN CO[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000302580764 456361963 /nfs/dbraw/zinc/36/19/63/456361963.db2.gz SZUGJSXENQYTLY-LRDDRELGSA-N 0 0 342.399 3.221 10 5 EGBERN C[C@@H](NC(=O)N1CCC2(CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000347785064 456366410 /nfs/dbraw/zinc/36/64/10/456366410.db2.gz NCYBEMUNMXAMOY-ZIAGYGMSSA-N 0 0 347.415 3.256 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cccc(Br)c1)CC2 ZINC000347799458 456373312 /nfs/dbraw/zinc/37/33/12/456373312.db2.gz RIBORVWKKQMUPR-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000282001649 456386400 /nfs/dbraw/zinc/38/64/00/456386400.db2.gz OJTFLEMUYGHIIS-GOSISDBHSA-N 0 0 340.379 3.305 10 5 EGBERN CC(C)(C)c1cnc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149871 460732025 /nfs/dbraw/zinc/73/20/25/460732025.db2.gz QZGKZJUTNYSCLZ-KRWDZBQOSA-N 0 0 349.456 3.346 10 5 EGBERN COC(=O)c1cnc(N2CC=C(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000302779078 456396305 /nfs/dbraw/zinc/39/63/05/456396305.db2.gz QNGWGUUXRHTEPX-UHFFFAOYSA-N 0 0 345.380 3.132 10 5 EGBERN O=C(c1ccoc1)N1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302819650 456409936 /nfs/dbraw/zinc/40/99/36/456409936.db2.gz OJXPSNHWZPQDAI-UHFFFAOYSA-N 0 0 333.319 3.044 10 5 EGBERN CCc1nc2n(n1)C[C@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)CC2 ZINC000302822185 456410202 /nfs/dbraw/zinc/41/02/02/456410202.db2.gz KOHWGPYZPRGMDJ-SNVBAGLBSA-N 0 0 335.795 3.137 10 5 EGBERN CCC(C)(C)c1ccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000337604056 456415918 /nfs/dbraw/zinc/41/59/18/456415918.db2.gz UJKKHNASOPOSCI-UHFFFAOYSA-N 0 0 330.388 3.244 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000290973341 456483210 /nfs/dbraw/zinc/48/32/10/456483210.db2.gz IZDBMRWLSPCYJC-RYUDHWBXSA-N 0 0 347.444 3.203 10 5 EGBERN CC(=O)c1cnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000340447274 456468194 /nfs/dbraw/zinc/46/81/94/456468194.db2.gz BKMDMTMHJDLJAK-UHFFFAOYSA-N 0 0 333.369 3.170 10 5 EGBERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c1 ZINC000337673056 456473144 /nfs/dbraw/zinc/47/31/44/456473144.db2.gz YKYIHRJZLCYARR-MRXNPFEDSA-N 0 0 335.310 3.081 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(OC)c1C(C)C ZINC000353113827 456497736 /nfs/dbraw/zinc/49/77/36/456497736.db2.gz QTOJJUITNCXYDM-UHFFFAOYSA-N 0 0 333.344 3.316 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000340524799 456510822 /nfs/dbraw/zinc/51/08/22/456510822.db2.gz BMMVLMYWLPXJNF-SNVBAGLBSA-N 0 0 337.426 3.329 10 5 EGBERN O=C(NCCCN1CCCC1=O)c1cc2ccccc2c2cccnc12 ZINC000298700997 456519719 /nfs/dbraw/zinc/51/97/19/456519719.db2.gz IONCJKZCABRHFZ-UHFFFAOYSA-N 0 0 347.418 3.130 10 5 EGBERN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000340679601 456619574 /nfs/dbraw/zinc/61/95/74/456619574.db2.gz NRKTUXYOLXYIOE-GOSISDBHSA-N 0 0 344.342 3.058 10 5 EGBERN Cn1ccnc1[C@@H](NCCC1(F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000348329797 456628467 /nfs/dbraw/zinc/62/84/67/456628467.db2.gz RLXOEPJURYWUGK-HNNXBMFYSA-N 0 0 332.379 3.290 10 5 EGBERN COC(=O)[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000320710105 456631459 /nfs/dbraw/zinc/63/14/59/456631459.db2.gz ZXTKCNZMSOQSCN-HNNXBMFYSA-N 0 0 334.759 3.252 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000348350585 456642150 /nfs/dbraw/zinc/64/21/50/456642150.db2.gz JYMVIPFADKYAIR-UHFFFAOYSA-N 0 0 342.355 3.222 10 5 EGBERN CC1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000338194710 456697371 /nfs/dbraw/zinc/69/73/71/456697371.db2.gz XAKSCLVGMSPRCV-UHFFFAOYSA-N 0 0 328.318 3.051 10 5 EGBERN CCc1nc(CN(C)c2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000328168511 456710318 /nfs/dbraw/zinc/71/03/18/456710318.db2.gz WWIJFVGNFLGRQY-UHFFFAOYSA-N 0 0 335.385 3.037 10 5 EGBERN CCOC(=O)c1sc([C@H](C)NCc2cccc([N+](=O)[O-])c2)nc1C ZINC000348487407 456712629 /nfs/dbraw/zinc/71/26/29/456712629.db2.gz BLHLMUSGJILDCI-NSHDSACASA-N 0 0 349.412 3.387 10 5 EGBERN CO[C@](C)(CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000291725567 456734600 /nfs/dbraw/zinc/73/46/00/456734600.db2.gz QVAICMKCTPASEV-OAHLLOKOSA-N 0 0 326.780 3.102 10 5 EGBERN CCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353555930 456757570 /nfs/dbraw/zinc/75/75/70/456757570.db2.gz PTEVYLQBQRCOTN-OAHLLOKOSA-N 0 0 345.424 3.284 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccc(Cl)cc3)cc2N1 ZINC000301121014 456802489 /nfs/dbraw/zinc/80/24/89/456802489.db2.gz XVAJZFLMWNTZQS-UHFFFAOYSA-N 0 0 347.758 3.234 10 5 EGBERN Nc1c(F)c(NCc2cn3cc(Cl)ccc3n2)ccc1[N+](=O)[O-] ZINC000348728464 456831517 /nfs/dbraw/zinc/83/15/17/456831517.db2.gz LENTVXCSHRECJO-UHFFFAOYSA-N 0 0 335.726 3.229 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338490776 456833106 /nfs/dbraw/zinc/83/31/06/456833106.db2.gz FRBXXCKVKMCLNC-LBPRGKRZSA-N 0 0 349.437 3.342 10 5 EGBERN COc1ccc(COc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000348815871 456868651 /nfs/dbraw/zinc/86/86/51/456868651.db2.gz PODPEXTUZNFXMW-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN O=C(NCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000339119141 456949577 /nfs/dbraw/zinc/94/95/77/456949577.db2.gz KTCPAIMTGXMMKA-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000356468897 457004977 /nfs/dbraw/zinc/00/49/77/457004977.db2.gz ZPBWVSUTMICROS-GFCCVEGCSA-N 0 0 340.788 3.082 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1OC(F)F ZINC000358868428 457013340 /nfs/dbraw/zinc/01/33/40/457013340.db2.gz BXGDIPHKVZPHGX-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN O=C(NC(C1CC1)C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358883245 457022501 /nfs/dbraw/zinc/02/25/01/457022501.db2.gz AWXHURTWLUJFPQ-UHFFFAOYSA-N 0 0 326.299 3.115 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000356591000 457072438 /nfs/dbraw/zinc/07/24/38/457072438.db2.gz KMKOVJNKOAJZSX-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000362800858 457100222 /nfs/dbraw/zinc/10/02/22/457100222.db2.gz JHKCLCNHSNSEMJ-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000342109310 457113238 /nfs/dbraw/zinc/11/32/38/457113238.db2.gz RHNMPQCCAHWHJQ-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000362871493 457136252 /nfs/dbraw/zinc/13/62/52/457136252.db2.gz BAPWOFJXWGHRKZ-PBHICJAKSA-N 0 0 342.395 3.074 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1nccs1)C(F)(F)F ZINC000356869151 457188168 /nfs/dbraw/zinc/18/81/68/457188168.db2.gz MTDINPLRKWQSKS-LLVKDONJSA-N 0 0 345.302 3.014 10 5 EGBERN CC(C)[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000346903847 457188655 /nfs/dbraw/zinc/18/86/55/457188655.db2.gz ARKOOMKXCYGROE-CYBMUJFWSA-N 0 0 333.310 3.100 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nccs1 ZINC000342290273 457215416 /nfs/dbraw/zinc/21/54/16/457215416.db2.gz VNKMRMPXBLDEFN-GFCCVEGCSA-N 0 0 341.339 3.140 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347086363 457223649 /nfs/dbraw/zinc/22/36/49/457223649.db2.gz JJJPHKWHHQXNHQ-XIKOKIGWSA-N 0 0 326.352 3.023 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2coc(C3CCCCC3)n2)n1 ZINC000347107068 457231868 /nfs/dbraw/zinc/23/18/68/457231868.db2.gz DTPBLWZGRDQXEG-UHFFFAOYSA-N 0 0 344.331 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2OC(F)(F)F)cn1 ZINC000360064542 457234916 /nfs/dbraw/zinc/23/49/16/457234916.db2.gz VCTUXSCTLBOQKJ-NSHDSACASA-N 0 0 343.261 3.034 10 5 EGBERN COc1nn(C)cc1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347174255 457270918 /nfs/dbraw/zinc/27/09/18/457270918.db2.gz XGPQUCFGENOPSY-UHFFFAOYSA-N 0 0 347.375 3.278 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000347175260 457272799 /nfs/dbraw/zinc/27/27/99/457272799.db2.gz YSRFMJZYAADFIT-CYBMUJFWSA-N 0 0 335.404 3.271 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)cc1[N+](=O)[O-] ZINC000363348606 457301962 /nfs/dbraw/zinc/30/19/62/457301962.db2.gz IBGOFOZDCFNPAV-CQSZACIVSA-N 0 0 344.371 3.216 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2c1 ZINC000342458537 457313509 /nfs/dbraw/zinc/31/35/09/457313509.db2.gz XVCXLKYRUQAJIU-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354719646 457316332 /nfs/dbraw/zinc/31/63/32/457316332.db2.gz OFMRBEDWRCHFQG-UHFFFAOYSA-N 0 0 349.774 3.395 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cccnc1OC ZINC000360789833 457354109 /nfs/dbraw/zinc/35/41/09/457354109.db2.gz XWSOMLDCNWVXIW-CQSZACIVSA-N 0 0 343.383 3.230 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347362820 457375581 /nfs/dbraw/zinc/37/55/81/457375581.db2.gz DEOGEUNKANAIOH-UHFFFAOYSA-N 0 0 331.372 3.062 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424975869 457392648 /nfs/dbraw/zinc/39/26/48/457392648.db2.gz UKXCKTKBLQYVOA-WMZOPIPTSA-N 0 0 343.358 3.150 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1cc(OC)c(O)c(OC)c1 ZINC000357240305 457395806 /nfs/dbraw/zinc/39/58/06/457395806.db2.gz RAFJIJXSVWMDIB-UHFFFAOYSA-N 0 0 348.355 3.076 10 5 EGBERN Cc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)sc2nccn12 ZINC000355687684 457400315 /nfs/dbraw/zinc/40/03/15/457400315.db2.gz GKLZNHITHKKAEJ-UHFFFAOYSA-N 0 0 341.352 3.253 10 5 EGBERN CSc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000347408160 457407537 /nfs/dbraw/zinc/40/75/37/457407537.db2.gz LYAQTFBZYKPOIW-UHFFFAOYSA-N 0 0 326.381 3.294 10 5 EGBERN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425032624 457412088 /nfs/dbraw/zinc/41/20/88/457412088.db2.gz CLTKXOHSXNRADT-WFASDCNBSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1[C@H](C)C1CC1 ZINC000342640022 457422204 /nfs/dbraw/zinc/42/22/04/457422204.db2.gz PACHJOXHKHBSEY-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CCSc3ccccc3)n2)nc1 ZINC000357311473 457437765 /nfs/dbraw/zinc/43/77/65/457437765.db2.gz ICIZSRYDFMLCQD-UHFFFAOYSA-N 0 0 342.380 3.298 10 5 EGBERN CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1F ZINC000357326762 457447164 /nfs/dbraw/zinc/44/71/64/457447164.db2.gz QTTWKIPDIXPJFL-UHFFFAOYSA-N 0 0 342.330 3.429 10 5 EGBERN O=C(c1cccc(O)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357372244 457478128 /nfs/dbraw/zinc/47/81/28/457478128.db2.gz LVKHGYIIZHWSLO-MRXNPFEDSA-N 0 0 330.365 3.188 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000364123240 457488235 /nfs/dbraw/zinc/48/82/35/457488235.db2.gz XYVRHAUDLWWMGI-HNNXBMFYSA-N 0 0 349.431 3.062 10 5 EGBERN CCOc1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000357460175 457543386 /nfs/dbraw/zinc/54/33/86/457543386.db2.gz AIRWOGSRYVMVTI-MNOVXSKESA-N 0 0 333.344 3.326 10 5 EGBERN C[C@H]1c2ccccc2CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072192 457563145 /nfs/dbraw/zinc/56/31/45/457563145.db2.gz FPBNCEIRLYTYLR-UGSOOPFHSA-N 0 0 337.379 3.277 10 5 EGBERN COc1ccc(NC(=O)CN2Cc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000361073981 457566549 /nfs/dbraw/zinc/56/65/49/457566549.db2.gz OCZPHMSWBWEDTP-GFCCVEGCSA-N 0 0 341.367 3.119 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(C2CC2)CC1 ZINC000352736872 457568567 /nfs/dbraw/zinc/56/85/67/457568567.db2.gz TYQPZUGKEJKYFW-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000370363591 457631170 /nfs/dbraw/zinc/63/11/70/457631170.db2.gz UQJJIEZPASBUMQ-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN Cc1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)cc1[N+](=O)[O-] ZINC000361194467 457641097 /nfs/dbraw/zinc/64/10/97/457641097.db2.gz SORQCUZCWVOYBP-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000370578178 457676847 /nfs/dbraw/zinc/67/68/47/457676847.db2.gz SJZJMRMIBNIFKT-JKSUJKDBSA-N 0 0 347.415 3.190 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC(c2ccccc2)C1 ZINC000374732917 457696485 /nfs/dbraw/zinc/69/64/85/457696485.db2.gz FKIDUXICTNQYRR-UHFFFAOYSA-N 0 0 325.368 3.222 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000357814340 457699772 /nfs/dbraw/zinc/69/97/72/457699772.db2.gz CKXPEANSFBEDGD-UHFFFAOYSA-N 0 0 343.387 3.142 10 5 EGBERN C[C@H]1N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000374973542 457743117 /nfs/dbraw/zinc/74/31/17/457743117.db2.gz REBJHCYFEBFTHC-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN C[C@H]1CCCCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000358204337 457857497 /nfs/dbraw/zinc/85/74/97/457857497.db2.gz AAXPDHHIXURSCK-ZDUSSCGKSA-N 0 0 342.399 3.328 10 5 EGBERN Cc1cccc(C(=O)N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000367304616 457946427 /nfs/dbraw/zinc/94/64/27/457946427.db2.gz FJXRBYNMLRKSJO-UHFFFAOYSA-N 0 0 330.315 3.077 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000434763223 458047958 /nfs/dbraw/zinc/04/79/58/458047958.db2.gz DOPSJDZGYLLVOQ-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN C/C(=C\c1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1cccc(F)c1 ZINC000445569868 458064601 /nfs/dbraw/zinc/06/46/01/458064601.db2.gz ATTDULZKFMTWRG-RMKNXTFCSA-N 0 0 329.291 3.078 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428093996 458078401 /nfs/dbraw/zinc/07/84/01/458078401.db2.gz UCPQUGHDGRDCFO-IKDJWVMYSA-N 0 0 332.403 3.069 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000428093997 458078577 /nfs/dbraw/zinc/07/85/77/458078577.db2.gz UCPQUGHDGRDCFO-VTEUUUEMSA-N 0 0 332.403 3.069 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCOc2ccccc21 ZINC000358656170 458132171 /nfs/dbraw/zinc/13/21/71/458132171.db2.gz VUWRQGWCUPEPPR-UHFFFAOYSA-N 0 0 330.365 3.113 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(=O)c1cccs1 ZINC000446225270 458165682 /nfs/dbraw/zinc/16/56/82/458165682.db2.gz FTYLTCVTIWPQOX-UHFFFAOYSA-N 0 0 338.772 3.231 10 5 EGBERN CCOc1cc(C(=O)N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000446344125 458180334 /nfs/dbraw/zinc/18/03/34/458180334.db2.gz WNLZKWRLNKLNLL-LBPRGKRZSA-N 0 0 336.388 3.120 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000435865462 458214960 /nfs/dbraw/zinc/21/49/60/458214960.db2.gz QCQQAQZVKOAWBN-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN Cc1sc(C(=O)Nc2nc3c(s2)CSCC3)cc1[N+](=O)[O-] ZINC000376187821 458227341 /nfs/dbraw/zinc/22/73/41/458227341.db2.gz NSXDLVQYRGYEGG-UHFFFAOYSA-N 0 0 341.439 3.463 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000446975100 458252843 /nfs/dbraw/zinc/25/28/43/458252843.db2.gz OUVZXMCHEGAIOR-CYBMUJFWSA-N 0 0 327.384 3.189 10 5 EGBERN CC(C)[C@H](O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412986116 458289362 /nfs/dbraw/zinc/28/93/62/458289362.db2.gz HAOANZDOURXNTG-MRXNPFEDSA-N 0 0 328.437 3.196 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000362595335 458289905 /nfs/dbraw/zinc/28/99/05/458289905.db2.gz BYBNWHFOCADTOV-UHFFFAOYSA-N 0 0 332.331 3.080 10 5 EGBERN Cn1c(CNC(C)(C)c2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000429257943 458300647 /nfs/dbraw/zinc/30/06/47/458300647.db2.gz SWXFSMSJURLJNO-UHFFFAOYSA-N 0 0 329.404 3.016 10 5 EGBERN Cc1cc([C@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000376447333 458302961 /nfs/dbraw/zinc/30/29/61/458302961.db2.gz FSDIJADDTRTMHO-QGZVFWFLSA-N 0 0 331.347 3.202 10 5 EGBERN COc1ccc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000447672064 458328201 /nfs/dbraw/zinc/32/82/01/458328201.db2.gz SFRAJBIUJURXRM-UHFFFAOYSA-N 0 0 342.355 3.125 10 5 EGBERN COc1ccccc1CCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447669692 458328297 /nfs/dbraw/zinc/32/82/97/458328297.db2.gz KLBOFCICRRVLNP-UHFFFAOYSA-N 0 0 326.356 3.159 10 5 EGBERN CC[C@H](NC(=O)c1cc(OC)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000436728242 458369214 /nfs/dbraw/zinc/36/92/14/458369214.db2.gz JGWPQEVIJUHEAE-HNNXBMFYSA-N 0 0 330.340 3.190 10 5 EGBERN C[C@@H]1N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCOC1(C)C ZINC000448183343 458398034 /nfs/dbraw/zinc/39/80/34/458398034.db2.gz ZZETZXNDRYVTPA-VIFPVBQESA-N 0 0 346.305 3.253 10 5 EGBERN C[C@H](NC(=O)NCc1noc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000376839020 458402946 /nfs/dbraw/zinc/40/29/46/458402946.db2.gz MJCYPJWBAJIKEU-NSHDSACASA-N 0 0 344.371 3.022 10 5 EGBERN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000437116437 458428537 /nfs/dbraw/zinc/42/85/37/458428537.db2.gz LIRZIZJEELQTIU-KGLIPLIRSA-N 0 0 338.429 3.432 10 5 EGBERN CC1=C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269646 458432754 /nfs/dbraw/zinc/43/27/54/458432754.db2.gz ROORLNXHPJLDJT-PWSUYJOCSA-N 0 0 337.807 3.473 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000430410755 458447077 /nfs/dbraw/zinc/44/70/77/458447077.db2.gz XMVHZMASQWHLAR-OCBCSQNSSA-N 0 0 340.379 3.269 10 5 EGBERN Cc1cc(OCC(=O)Nc2scnc2C2CC2)ccc1[N+](=O)[O-] ZINC000430781469 458491060 /nfs/dbraw/zinc/49/10/60/458491060.db2.gz CJOHXZIPSVRZGB-UHFFFAOYSA-N 0 0 333.369 3.255 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)CC1 ZINC000460206245 458505198 /nfs/dbraw/zinc/50/51/98/458505198.db2.gz MPEORXRKTZELRJ-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)[C@@H](C)O1 ZINC000438389077 458573601 /nfs/dbraw/zinc/57/36/01/458573601.db2.gz DKDSTVAWAYLNNV-OUAUKWLOSA-N 0 0 334.397 3.447 10 5 EGBERN CC(C)(C(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000438497874 458586266 /nfs/dbraw/zinc/58/62/66/458586266.db2.gz LSXIISYHZAHRFG-LJQANCHMSA-N 0 0 348.443 3.320 10 5 EGBERN COc1ccc(OC)c(CCNc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000462386012 458616619 /nfs/dbraw/zinc/61/66/19/458616619.db2.gz CHMPUNPYGFSHIC-UHFFFAOYSA-N 0 0 332.356 3.275 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000462397785 458617583 /nfs/dbraw/zinc/61/75/83/458617583.db2.gz RTSBUBJNULKPEC-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN C[C@@H](CCCC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000494377323 458667259 /nfs/dbraw/zinc/66/72/59/458667259.db2.gz YCKAKTUXFFAOQZ-ZETCQYMHSA-N 0 0 346.352 3.056 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439264513 458678534 /nfs/dbraw/zinc/67/85/34/458678534.db2.gz YJRJKIFZASQTOH-OLZOCXBDSA-N 0 0 344.367 3.230 10 5 EGBERN CCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000546983938 458691114 /nfs/dbraw/zinc/69/11/14/458691114.db2.gz NJZZSHMRZYCZRK-UHFFFAOYSA-N 0 0 326.312 3.496 10 5 EGBERN CCc1ncc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000456514684 458699674 /nfs/dbraw/zinc/69/96/74/458699674.db2.gz HWEABKBBFZUUGD-UHFFFAOYSA-N 0 0 331.372 3.373 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000456605697 458728694 /nfs/dbraw/zinc/72/86/94/458728694.db2.gz KVJCWNFDQWLJML-OAHLLOKOSA-N 0 0 343.358 3.435 10 5 EGBERN CCn1cc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000456702274 458756162 /nfs/dbraw/zinc/75/61/62/458756162.db2.gz YNRSDHKXADUBPV-SNVBAGLBSA-N 0 0 336.779 3.264 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000464867403 458787078 /nfs/dbraw/zinc/78/70/78/458787078.db2.gz CMNFKYBQNHPXBO-HNNXBMFYSA-N 0 0 333.363 3.401 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456877223 458810038 /nfs/dbraw/zinc/81/00/38/458810038.db2.gz INPKCUSMKHSXAF-GWCFXTLKSA-N 0 0 328.290 3.390 10 5 EGBERN O=C1C[C@@H](c2cccc(Nc3c(F)cc([N+](=O)[O-])cc3F)c2)CN1 ZINC000440585863 458830063 /nfs/dbraw/zinc/83/00/63/458830063.db2.gz AVJFHWAAIZQAEF-SNVBAGLBSA-N 0 0 333.294 3.220 10 5 EGBERN COC[C@@H]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000457082944 458858356 /nfs/dbraw/zinc/85/83/56/458858356.db2.gz MFKPLFYXPJCEBA-CHWSQXEVSA-N 0 0 338.379 3.113 10 5 EGBERN CCc1nc(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cs1 ZINC000474793728 458901040 /nfs/dbraw/zinc/90/10/40/458901040.db2.gz XENZPCSYRLNOPO-UHFFFAOYSA-N 0 0 349.412 3.363 10 5 EGBERN Cc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946522 458952556 /nfs/dbraw/zinc/95/25/56/458952556.db2.gz PSXSVDOMVAXQIH-MBNYWOFBSA-N 0 0 349.431 3.380 10 5 EGBERN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000531890067 458995278 /nfs/dbraw/zinc/99/52/78/458995278.db2.gz HJEMXHVUFJHKKJ-GFCCVEGCSA-N 0 0 349.774 3.231 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 ZINC000477059858 459029163 /nfs/dbraw/zinc/02/91/63/459029163.db2.gz MXZRPSQXUNESEE-LLVKDONJSA-N 0 0 336.754 3.473 10 5 EGBERN O=C(NCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000532134150 459034385 /nfs/dbraw/zinc/03/43/85/459034385.db2.gz AHZIEYJESJBLAA-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN Cc1ccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000477693509 459053852 /nfs/dbraw/zinc/05/38/52/459053852.db2.gz JMFGFRSONUVXMK-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN Cc1cc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000477688149 459053923 /nfs/dbraw/zinc/05/39/23/459053923.db2.gz AXNVCXXPLYMTQR-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1F ZINC000520690097 459083993 /nfs/dbraw/zinc/08/39/93/459083993.db2.gz QRSIQAAAAJBSIJ-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCCCc2c(F)cccc2F)c1 ZINC000594564317 459091692 /nfs/dbraw/zinc/09/16/92/459091692.db2.gz REAXIKZESNQNHC-UHFFFAOYSA-N 0 0 327.356 3.436 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000557681299 459098322 /nfs/dbraw/zinc/09/83/22/459098322.db2.gz FATWPJPVCBIUMX-LLVKDONJSA-N 0 0 340.301 3.275 10 5 EGBERN CC[C@@H](NC(=O)c1nc2cnccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000590444008 459132067 /nfs/dbraw/zinc/13/20/67/459132067.db2.gz WYXHWVLOEHOUEL-GFCCVEGCSA-N 0 0 342.380 3.481 10 5 EGBERN CC[C@H](C)[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578094677 459144102 /nfs/dbraw/zinc/14/41/02/459144102.db2.gz HQXPZXXGHHHJPA-RYUDHWBXSA-N 0 0 332.404 3.352 10 5 EGBERN COc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000594734152 459144816 /nfs/dbraw/zinc/14/48/16/459144816.db2.gz QQVVTYLWSRLTNB-ILXRZTDVSA-N 0 0 348.399 3.069 10 5 EGBERN O=C([O-])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000594734368 459145238 /nfs/dbraw/zinc/14/52/38/459145238.db2.gz YLKQBWNQAUSSQX-ZACQAIPSSA-N 0 0 332.400 3.103 10 5 EGBERN Cc1ccc(CNc2ccc3c(c2)CCN(C)C3=O)cc1[N+](=O)[O-] ZINC000594736223 459146389 /nfs/dbraw/zinc/14/63/89/459146389.db2.gz LQERJBOCUFNXBD-UHFFFAOYSA-N 0 0 325.368 3.143 10 5 EGBERN Cc1c(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000590557018 459148649 /nfs/dbraw/zinc/14/86/49/459148649.db2.gz USDCNDUJGYTZRP-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590565647 459150360 /nfs/dbraw/zinc/15/03/60/459150360.db2.gz OVPPZTZVYDWOBO-CYBMUJFWSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1ccc(CS(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000578160949 459156199 /nfs/dbraw/zinc/15/61/99/459156199.db2.gz ZWRVMWWQROTIOW-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN Cn1nc2c(c1CNc1nc3c(cc1[N+](=O)[O-])CCCC3)CCCC2 ZINC000521616475 459166841 /nfs/dbraw/zinc/16/68/41/459166841.db2.gz HNGPQXBAFVOTEJ-UHFFFAOYSA-N 0 0 341.415 3.093 10 5 EGBERN CC(C)O[C@@]1(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCOC1 ZINC000594905639 459171745 /nfs/dbraw/zinc/17/17/45/459171745.db2.gz ZUOPFBHFCRQIFQ-QGZVFWFLSA-N 0 0 331.372 3.042 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000594943394 459186682 /nfs/dbraw/zinc/18/66/82/459186682.db2.gz DAWFUOCFABZILD-UHFFFAOYSA-N 0 0 348.712 3.290 10 5 EGBERN COc1ccc(COCCNc2c(OC)cccc2[N+](=O)[O-])cc1 ZINC000578380195 459192439 /nfs/dbraw/zinc/19/24/39/459192439.db2.gz VWMXWDFCEFVSSB-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN COC(=O)c1cc(N[C@H](CO)C2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000533228661 459203651 /nfs/dbraw/zinc/20/36/51/459203651.db2.gz YMRPXEKMHQSBHE-OAHLLOKOSA-N 0 0 336.388 3.043 10 5 EGBERN Cn1ccnc1[C@H](NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080160 459239601 /nfs/dbraw/zinc/23/96/01/459239601.db2.gz OEFFLJMHYXMAHX-HIFRSBDPSA-N 0 0 336.342 3.053 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000595101355 459245897 /nfs/dbraw/zinc/24/58/97/459245897.db2.gz DPMUZNJDOLOVHK-VEVIJQCQSA-N 0 0 330.384 3.376 10 5 EGBERN COc1ccc(N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C2CC2)cc1 ZINC000523319380 459289722 /nfs/dbraw/zinc/28/97/22/459289722.db2.gz BXDYPOJFCPMJFH-LBPRGKRZSA-N 0 0 343.383 3.387 10 5 EGBERN Cc1noc(CN[C@H](c2cc(F)ccc2F)C(F)F)c1[N+](=O)[O-] ZINC000595467618 459314324 /nfs/dbraw/zinc/31/43/24/459314324.db2.gz OKLMJBRIHAXQFM-LLVKDONJSA-N 0 0 333.241 3.265 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](c4ccccn4)C3)nc2c1 ZINC000595502545 459325925 /nfs/dbraw/zinc/32/59/25/459325925.db2.gz MSIHBQFLIQNWGR-ZDUSSCGKSA-N 0 0 337.383 3.246 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1 ZINC000534420747 459325877 /nfs/dbraw/zinc/32/58/77/459325877.db2.gz AJODYPRWJXYFJA-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C2CCC2)C1 ZINC000591265447 459343478 /nfs/dbraw/zinc/34/34/78/459343478.db2.gz VDTLOOODJKIYOC-HNNXBMFYSA-N 0 0 341.415 3.500 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000568783212 459346009 /nfs/dbraw/zinc/34/60/09/459346009.db2.gz PRLWZTWHDIGKIG-WBVHZDCISA-N 0 0 332.400 3.450 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccco2)CC1 ZINC000595614834 459368349 /nfs/dbraw/zinc/36/83/49/459368349.db2.gz JECFWMXZYAYFNF-CYBMUJFWSA-N 0 0 343.383 3.394 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccncc1 ZINC000540920153 459402837 /nfs/dbraw/zinc/40/28/37/459402837.db2.gz ZTMBFYYDHQYSDO-UHFFFAOYSA-N 0 0 334.335 3.232 10 5 EGBERN CC(C)(C)OCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582763838 459422752 /nfs/dbraw/zinc/42/27/52/459422752.db2.gz SMGZQKUHSQGGOQ-UHFFFAOYSA-N 0 0 335.404 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595760841 459430213 /nfs/dbraw/zinc/43/02/13/459430213.db2.gz UTOLBQRLLOLRAF-GOSISDBHSA-N 0 0 346.358 3.186 10 5 EGBERN COc1ccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595890844 459476487 /nfs/dbraw/zinc/47/64/87/459476487.db2.gz NELQLSOCGNNDNP-ZYHUDNBSSA-N 0 0 348.321 3.145 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890243 459476693 /nfs/dbraw/zinc/47/66/93/459476693.db2.gz DPMXGBPAUYUHTE-MFKMUULPSA-N 0 0 348.321 3.145 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595891278 459476856 /nfs/dbraw/zinc/47/68/56/459476856.db2.gz PKKGONGDIORXFJ-MFKMUULPSA-N 0 0 348.321 3.145 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595890241 459477048 /nfs/dbraw/zinc/47/70/48/459477048.db2.gz DPMXGBPAUYUHTE-GWCFXTLKSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H](NC(=O)N1CC(C)(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000591925705 459487923 /nfs/dbraw/zinc/48/79/23/459487923.db2.gz LJIRXTMJRVNLSP-SNVBAGLBSA-N 0 0 327.331 3.343 10 5 EGBERN Cc1cc(-c2noc(-c3cnn4c3C[C@H](C)CC4)n2)cc([N+](=O)[O-])c1 ZINC000583144189 459490585 /nfs/dbraw/zinc/49/05/85/459490585.db2.gz UWUSXSLNWYWWFE-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN CC[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000591975967 459502349 /nfs/dbraw/zinc/50/23/49/459502349.db2.gz QFXJTNMYXMCWGO-CYBMUJFWSA-N 0 0 348.428 3.175 10 5 EGBERN COc1cc(NCCc2c(C)nn(C)c2C)c(Cl)cc1[N+](=O)[O-] ZINC000596072903 459509813 /nfs/dbraw/zinc/50/98/13/459509813.db2.gz ARVSQBNUOWOEQE-UHFFFAOYSA-N 0 0 338.795 3.262 10 5 EGBERN CCCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542005682 459519075 /nfs/dbraw/zinc/51/90/75/459519075.db2.gz DZDQCXMVSVHZMA-UHFFFAOYSA-N 0 0 328.781 3.248 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1C1CCC1 ZINC000592114051 459527224 /nfs/dbraw/zinc/52/72/24/459527224.db2.gz SPLVVAZDXONUOJ-ZDUSSCGKSA-N 0 0 342.392 3.077 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137717 459533563 /nfs/dbraw/zinc/53/35/63/459533563.db2.gz CHOMWWPWGMLJDO-IUCAKERBSA-N 0 0 344.820 3.365 10 5 EGBERN COc1cc(N[C@@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1C ZINC000596143218 459536247 /nfs/dbraw/zinc/53/62/47/459536247.db2.gz ZTJWKCJGVKBZRJ-NSHDSACASA-N 0 0 332.404 3.305 10 5 EGBERN COC(=O)c1cccc2c1CN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000592158998 459539012 /nfs/dbraw/zinc/53/90/12/459539012.db2.gz POLHLCYDUJTHPO-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@H](c2cccs2)C1 ZINC000596161125 459543827 /nfs/dbraw/zinc/54/38/27/459543827.db2.gz SDZCYJCEJVRVFN-NSHDSACASA-N 0 0 325.777 3.283 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596180056 459550505 /nfs/dbraw/zinc/55/05/05/459550505.db2.gz OROJXXYSUGDQMZ-ILWJIGKKSA-N 0 0 342.779 3.403 10 5 EGBERN COc1cc(NC[C@@H](C)N2CCCCC2=O)c(Cl)cc1[N+](=O)[O-] ZINC000596203411 459559420 /nfs/dbraw/zinc/55/94/20/459559420.db2.gz FMFVQZSQWPZDPL-SNVBAGLBSA-N 0 0 341.795 3.070 10 5 EGBERN Cc1c(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n[nH]c1C(C)C ZINC000592254351 459561077 /nfs/dbraw/zinc/56/10/77/459561077.db2.gz WRPXMRUXCDISSK-UHFFFAOYSA-N 0 0 331.376 3.432 10 5 EGBERN COC(=O)C(C)(C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596231579 459568246 /nfs/dbraw/zinc/56/82/46/459568246.db2.gz QOAHAEWTBAUAMO-UHFFFAOYSA-N 0 0 330.768 3.258 10 5 EGBERN COc1cc(NCc2ncc3c(n2)CCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596264229 459578979 /nfs/dbraw/zinc/57/89/79/459578979.db2.gz JXMPKARTDUVXID-UHFFFAOYSA-N 0 0 334.763 3.148 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCS[C@H]2C)ccc1[N+](=O)[O-] ZINC000596293163 459587082 /nfs/dbraw/zinc/58/70/82/459587082.db2.gz TUCVRLHNUVQCRJ-YUMQZZPRSA-N 0 0 330.793 3.341 10 5 EGBERN CCOC(=O)c1cc(NC[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000596311371 459592067 /nfs/dbraw/zinc/59/20/67/459592067.db2.gz BYFQLFIRCUNDRZ-GFCCVEGCSA-N 0 0 329.356 3.382 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(COC[C@H]2CCOC2)no1 ZINC000592418581 459597857 /nfs/dbraw/zinc/59/78/57/459597857.db2.gz XCVTUKWHGVRULX-BCNIOPEESA-N 0 0 345.355 3.091 10 5 EGBERN Cc1cc(N2CCO[C@@](C)(C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596333601 459599337 /nfs/dbraw/zinc/59/93/37/459599337.db2.gz ADXZZBCAGTXYDB-GOSISDBHSA-N 0 0 327.384 3.457 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c2ncnn21 ZINC000596347496 459603343 /nfs/dbraw/zinc/60/33/43/459603343.db2.gz XDWXETVXAXBRAV-JQWIXIFHSA-N 0 0 331.376 3.482 10 5 EGBERN COC(=O)CCc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000542865572 459605673 /nfs/dbraw/zinc/60/56/73/459605673.db2.gz MPLAUFIZSXIENZ-UHFFFAOYSA-N 0 0 329.356 3.456 10 5 EGBERN O=[N+]([O-])c1ccc(Sc2nnc3sc4ccccc4n23)cn1 ZINC000573041150 459614601 /nfs/dbraw/zinc/61/46/01/459614601.db2.gz FREVSYGTWKJPEW-UHFFFAOYSA-N 0 0 329.366 3.398 10 5 EGBERN CC[C@H](NC(=O)N(C)CC1=CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000596451810 459641764 /nfs/dbraw/zinc/64/17/64/459641764.db2.gz BYOTYDAWOAEGIY-HNNXBMFYSA-N 0 0 335.429 3.361 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596468715 459647361 /nfs/dbraw/zinc/64/73/61/459647361.db2.gz HFCBMPMYOKGWSW-GASCZTMLSA-N 0 0 339.779 3.139 10 5 EGBERN C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000596472963 459649206 /nfs/dbraw/zinc/64/92/06/459649206.db2.gz DFDONMSIHAMWGO-DZGCQCFKSA-N 0 0 347.415 3.200 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000596475440 459649937 /nfs/dbraw/zinc/64/99/37/459649937.db2.gz BRGZFNZHDJCTTQ-GFCCVEGCSA-N 0 0 334.706 3.492 10 5 EGBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1(F)F ZINC000596477626 459650497 /nfs/dbraw/zinc/65/04/97/459650497.db2.gz NRCZWTBHVFTTJW-HNNXBMFYSA-N 0 0 339.342 3.288 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596482238 459652138 /nfs/dbraw/zinc/65/21/38/459652138.db2.gz HUQHUZPRTFXHNU-DLBZAZTESA-N 0 0 343.383 3.475 10 5 EGBERN Cc1cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c(O)cc1Cl ZINC000596484035 459652999 /nfs/dbraw/zinc/65/29/99/459652999.db2.gz RSDBJBZLFSCHHL-SNVBAGLBSA-N 0 0 349.774 3.220 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000596488327 459653877 /nfs/dbraw/zinc/65/38/77/459653877.db2.gz NYOVDOCKIQBCIJ-BXUZGUMPSA-N 0 0 335.795 3.200 10 5 EGBERN C[C@@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000596494328 459656392 /nfs/dbraw/zinc/65/63/92/459656392.db2.gz OCHVRFMLEGWDSK-ZJUUUORDSA-N 0 0 329.194 3.361 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(F)c2)CCC1 ZINC000592675429 459662343 /nfs/dbraw/zinc/66/23/43/459662343.db2.gz CZCRVMFPSBNWNH-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN CC(C)Oc1nc(N2CC3(CCCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596515310 459662730 /nfs/dbraw/zinc/66/27/30/459662730.db2.gz NBAGQDXKNYYQMP-ZDUSSCGKSA-N 0 0 335.404 3.315 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000596518877 459665187 /nfs/dbraw/zinc/66/51/87/459665187.db2.gz YAADYFFVUKKNGT-HUUCEWRRSA-N 0 0 332.404 3.290 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596525116 459665959 /nfs/dbraw/zinc/66/59/59/459665959.db2.gz IZGGCUYYVGHTRX-ZDUSSCGKSA-N 0 0 333.388 3.101 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000596525338 459666113 /nfs/dbraw/zinc/66/61/13/459666113.db2.gz NXKZZOZYEMVJLA-OAHLLOKOSA-N 0 0 342.351 3.039 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000592696493 459669131 /nfs/dbraw/zinc/66/91/31/459669131.db2.gz CLHVXPXHNINGBM-BJHJDKERSA-N 0 0 332.356 3.417 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C2CCC2)C2CCCCC2)n1 ZINC000592697200 459670149 /nfs/dbraw/zinc/67/01/49/459670149.db2.gz RMDBNNXSSNJYJL-HNNXBMFYSA-N 0 0 334.420 3.290 10 5 EGBERN COc1cccc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000596554355 459674916 /nfs/dbraw/zinc/67/49/16/459674916.db2.gz JTJLSULZAPFARR-VHSXEESVSA-N 0 0 334.294 3.150 10 5 EGBERN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555649 459675198 /nfs/dbraw/zinc/67/51/98/459675198.db2.gz SBJBKWDZYCNQAC-CBAPKCEASA-N 0 0 339.701 3.189 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000596557739 459676023 /nfs/dbraw/zinc/67/60/23/459676023.db2.gz KBCUNOWDKASZLS-MWLCHTKSSA-N 0 0 334.294 3.150 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000592737947 459680844 /nfs/dbraw/zinc/68/08/44/459680844.db2.gz YQULHVXUZZARLN-CQSZACIVSA-N 0 0 348.399 3.407 10 5 EGBERN C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596572643 459682414 /nfs/dbraw/zinc/68/24/14/459682414.db2.gz OFERZRJLUQMJFS-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CCOc1cc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596574993 459683063 /nfs/dbraw/zinc/68/30/63/459683063.db2.gz SAPAQVIONNNWFA-ZUZCIYMTSA-N 0 0 330.331 3.242 10 5 EGBERN CCOC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CCC1 ZINC000596585081 459685113 /nfs/dbraw/zinc/68/51/13/459685113.db2.gz XWENKINPTNOXQT-UHFFFAOYSA-N 0 0 332.360 3.048 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596588477 459686036 /nfs/dbraw/zinc/68/60/36/459686036.db2.gz UFAVOOQJYOYSJK-JTQLQIEISA-N 0 0 333.392 3.095 10 5 EGBERN CCOC1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCC1 ZINC000596589400 459686370 /nfs/dbraw/zinc/68/63/70/459686370.db2.gz DPJNLRFLZFXYCT-UHFFFAOYSA-N 0 0 342.355 3.466 10 5 EGBERN CO[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CCCCC1 ZINC000596596918 459691477 /nfs/dbraw/zinc/69/14/77/459691477.db2.gz XTSINBUKULZIPY-OAHLLOKOSA-N 0 0 332.360 3.231 10 5 EGBERN CC(C)CC1(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000596600072 459691889 /nfs/dbraw/zinc/69/18/89/459691889.db2.gz BTSUMQFHHCNCBD-UHFFFAOYSA-N 0 0 344.415 3.497 10 5 EGBERN CC(C)(C(=O)N1CC(C)(CC(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000592834126 459701212 /nfs/dbraw/zinc/70/12/12/459701212.db2.gz DTFFEOOETBKQPF-UHFFFAOYSA-N 0 0 326.343 3.376 10 5 EGBERN CC1(CC(F)F)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000592835941 459701288 /nfs/dbraw/zinc/70/12/88/459701288.db2.gz PLHGXUQIFRZUKX-UHFFFAOYSA-N 0 0 330.356 3.191 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000573584687 459701717 /nfs/dbraw/zinc/70/17/17/459701717.db2.gz UELXLEJAXKTWIN-ZDUSSCGKSA-N 0 0 342.351 3.203 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874572 459708468 /nfs/dbraw/zinc/70/84/68/459708468.db2.gz TWOSDWCILAMUKU-NEPJUHHUSA-N 0 0 334.420 3.169 10 5 EGBERN CC[C@@H](C)C[C@@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000592876807 459709045 /nfs/dbraw/zinc/70/90/45/459709045.db2.gz ZYWDXYNTOXFMKA-SKDRFNHKSA-N 0 0 328.796 3.084 10 5 EGBERN CC1=CC[C@@](C)(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000596652043 459715097 /nfs/dbraw/zinc/71/50/97/459715097.db2.gz XDZYVJOOLRRLJJ-LJQANCHMSA-N 0 0 343.427 3.380 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000543977126 459715663 /nfs/dbraw/zinc/71/56/63/459715663.db2.gz HNZZXSKNXCLPRR-CYBMUJFWSA-N 0 0 341.367 3.260 10 5 EGBERN CCc1ccc(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000544092481 459725171 /nfs/dbraw/zinc/72/51/71/459725171.db2.gz KKBILNQBUUVWJD-GFCCVEGCSA-N 0 0 342.399 3.307 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596678582 459725232 /nfs/dbraw/zinc/72/52/32/459725232.db2.gz DCRPBQXOGQNMBD-CQSZACIVSA-N 0 0 349.431 3.334 10 5 EGBERN O=C([C@H]1C[C@H]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593006530 459737564 /nfs/dbraw/zinc/73/75/64/459737564.db2.gz GBIUKAZMQSQLTI-HOTGVXAUSA-N 0 0 343.427 3.070 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H](C)c2cccc(O)c2)c1 ZINC000593015984 459739591 /nfs/dbraw/zinc/73/95/91/459739591.db2.gz GDIDHWQEHWQKRQ-GFCCVEGCSA-N 0 0 344.367 3.280 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000593021049 459741868 /nfs/dbraw/zinc/74/18/68/459741868.db2.gz JYIQBACUMZOAGM-ZDUSSCGKSA-N 0 0 348.321 3.448 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000596748799 459751280 /nfs/dbraw/zinc/75/12/80/459751280.db2.gz FTJWGNRBPLVDOO-KOMQPUFPSA-N 0 0 335.404 3.082 10 5 EGBERN CC(C)[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1F ZINC000596815559 459769010 /nfs/dbraw/zinc/76/90/10/459769010.db2.gz BRCQTDCSMUDYBN-HNNXBMFYSA-N 0 0 332.335 3.070 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000596823450 459771193 /nfs/dbraw/zinc/77/11/93/459771193.db2.gz POFHUKTVJZFPSC-CHWSQXEVSA-N 0 0 335.404 3.087 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833009 459774115 /nfs/dbraw/zinc/77/41/15/459774115.db2.gz TXUSZKQBYIAKEE-XHDPSFHLSA-N 0 0 341.367 3.453 10 5 EGBERN C[C@H](NC(=O)[C@@H]1COC[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596840884 459775444 /nfs/dbraw/zinc/77/54/44/459775444.db2.gz DWCLURHNLPDEFP-DOPJRALCSA-N 0 0 340.379 3.202 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593134304 459784075 /nfs/dbraw/zinc/78/40/75/459784075.db2.gz KNPPDLUXIREZRP-CABZTGNLSA-N 0 0 348.296 3.466 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000596899860 459790454 /nfs/dbraw/zinc/79/04/54/459790454.db2.gz WVRQLPJLFVWVOR-KZULUSFZSA-N 0 0 349.431 3.375 10 5 EGBERN CC(C)CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000593184459 459800523 /nfs/dbraw/zinc/80/05/23/459800523.db2.gz KTUWSALPRRPBSD-UHFFFAOYSA-N 0 0 349.337 3.500 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2F)CCC1 ZINC000593207565 459808203 /nfs/dbraw/zinc/80/82/03/459808203.db2.gz WDWLREGYILAHGT-UHFFFAOYSA-N 0 0 343.358 3.289 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593247958 459819235 /nfs/dbraw/zinc/81/92/35/459819235.db2.gz FMWCEWUJPCIUGA-ULQDDVLXSA-N 0 0 341.367 3.058 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC2(CC2(F)F)CC1 ZINC000593300761 459834361 /nfs/dbraw/zinc/83/43/61/459834361.db2.gz ZZFWGYPNUAHAQX-UHFFFAOYSA-N 0 0 346.280 3.063 10 5 EGBERN Cc1c(-c2nc(Cc3ccc4c(c3)OCO4)no2)cccc1[N+](=O)[O-] ZINC000545594086 459839891 /nfs/dbraw/zinc/83/98/91/459839891.db2.gz VCLAFASYJNYZDL-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN CCCn1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1 ZINC000585750349 459840541 /nfs/dbraw/zinc/84/05/41/459840541.db2.gz YKZPBLDOPUEEAM-UHFFFAOYSA-N 0 0 331.376 3.146 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000593325196 459843365 /nfs/dbraw/zinc/84/33/65/459843365.db2.gz CDJPWOJVIIIOQX-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)(C(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593354838 459860392 /nfs/dbraw/zinc/86/03/92/459860392.db2.gz UUWTZJBBOKXIJJ-HNNXBMFYSA-N 0 0 342.317 3.269 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC2(F)F)C1 ZINC000593358847 459861604 /nfs/dbraw/zinc/86/16/04/459861604.db2.gz MCVUFVKKXSFEHA-CYBMUJFWSA-N 0 0 330.718 3.048 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000598338307 459870794 /nfs/dbraw/zinc/87/07/94/459870794.db2.gz XKYWJEXGNIMFND-NSHDSACASA-N 0 0 328.315 3.015 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000598345851 459874068 /nfs/dbraw/zinc/87/40/68/459874068.db2.gz HCSUXAXIYSTBOS-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598352884 459876066 /nfs/dbraw/zinc/87/60/66/459876066.db2.gz RUXJTOCZIXIPLI-SJORKVTESA-N 0 0 328.368 3.083 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC2(CCC2)C1 ZINC000593409247 459881556 /nfs/dbraw/zinc/88/15/56/459881556.db2.gz WEEVSZRNHHXDHB-UHFFFAOYSA-N 0 0 342.399 3.251 10 5 EGBERN CN(CC(=O)N(C)C(C)(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000586834579 459883258 /nfs/dbraw/zinc/88/32/58/459883258.db2.gz CDNIOTOVYWONLM-UHFFFAOYSA-N 0 0 341.411 3.425 10 5 EGBERN CN(C(=O)CNc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000586834366 459883417 /nfs/dbraw/zinc/88/34/17/459883417.db2.gz GDJLMBWWIMBOCJ-UHFFFAOYSA-N 0 0 327.384 3.400 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608852569 459891349 /nfs/dbraw/zinc/89/13/49/459891349.db2.gz ODOSTBNIQZBONB-CQSZACIVSA-N 0 0 335.363 3.363 10 5 EGBERN CC(C)(C)Oc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587510398 459893455 /nfs/dbraw/zinc/89/34/55/459893455.db2.gz GNEXWLOJEYZMLC-UHFFFAOYSA-N 0 0 345.399 3.459 10 5 EGBERN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000597256176 459897639 /nfs/dbraw/zinc/89/76/39/459897639.db2.gz LQLRUKFMQNSZCI-JVEHBYJWSA-N 0 0 326.343 3.353 10 5 EGBERN CC[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(C)c1 ZINC000587992861 459899001 /nfs/dbraw/zinc/89/90/01/459899001.db2.gz IZVKSNUFDQREGX-HNNXBMFYSA-N 0 0 345.399 3.247 10 5 EGBERN CCCCO[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(C)C ZINC000587991573 459899066 /nfs/dbraw/zinc/89/90/66/459899066.db2.gz UNZRKSNUGSATFI-CABCVRRESA-N 0 0 337.420 3.065 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](CC(C)C)c2cccs2)c1[N+](=O)[O-] ZINC000609029321 459900777 /nfs/dbraw/zinc/90/07/77/459900777.db2.gz BPHLUWKIBJZQOP-LLVKDONJSA-N 0 0 336.417 3.459 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(C3(O)CC3)CC2)nc1-c1ccccc1 ZINC000593481499 459902344 /nfs/dbraw/zinc/90/23/44/459902344.db2.gz HMOPMNSSCMGNKK-UHFFFAOYSA-N 0 0 339.395 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(C3(O)CC3)CC2)cc1C(F)(F)F ZINC000593481425 459902399 /nfs/dbraw/zinc/90/23/99/459902399.db2.gz GYJHFXCLVPUROR-UHFFFAOYSA-N 0 0 330.306 3.355 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000597283643 459903510 /nfs/dbraw/zinc/90/35/10/459903510.db2.gz ZXJQGUCFGHMITL-OAHLLOKOSA-N 0 0 344.415 3.190 10 5 EGBERN COc1cccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598469012 459905347 /nfs/dbraw/zinc/90/53/47/459905347.db2.gz JNJQBDOGCOXPRF-AWEZNQCLSA-N 0 0 340.379 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000598469564 459905398 /nfs/dbraw/zinc/90/53/98/459905398.db2.gz OKSQKDWLBZMNSA-CQSZACIVSA-N 0 0 340.379 3.405 10 5 EGBERN CCOc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])nc1C ZINC000598468553 459905884 /nfs/dbraw/zinc/90/58/84/459905884.db2.gz IFYLNTTWTANLHJ-UHFFFAOYSA-N 0 0 333.319 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C3CCCCC3)C2)n1 ZINC000598470013 459906344 /nfs/dbraw/zinc/90/63/44/459906344.db2.gz BLGLJESGAGAEEK-AWEZNQCLSA-N 0 0 334.420 3.244 10 5 EGBERN CCOc1cc(N2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000588068627 459908527 /nfs/dbraw/zinc/90/85/27/459908527.db2.gz XSQXXXFGLFKBLI-ZANVPECISA-N 0 0 334.294 3.150 10 5 EGBERN Cc1c(Br)c(N2CC[C@@]3(CC3(F)F)C2)ncc1[N+](=O)[O-] ZINC000593522876 459915639 /nfs/dbraw/zinc/91/56/39/459915639.db2.gz VKLQZHCRQSHANR-LLVKDONJSA-N 0 0 348.147 3.296 10 5 EGBERN COc1ccc(C(=O)N2CC3CC2(c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000598553788 459934930 /nfs/dbraw/zinc/93/49/30/459934930.db2.gz CRFNHPZYBHEPOJ-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN COc1cc(C(=O)N2CC3CC2(c2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000598553782 459935378 /nfs/dbraw/zinc/93/53/78/459935378.db2.gz CLGQWPHMVGEGPB-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN COCC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000598556771 459937580 /nfs/dbraw/zinc/93/75/80/459937580.db2.gz ZUYMKCSINOZVSX-UHFFFAOYSA-N 0 0 326.780 3.327 10 5 EGBERN O=C(Cc1ccncc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468710 459964146 /nfs/dbraw/zinc/96/41/46/459964146.db2.gz SQRCBRFBZVWOPE-UHFFFAOYSA-N 0 0 345.786 3.377 10 5 EGBERN CCSCC[C@H](C)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739550 459968639 /nfs/dbraw/zinc/96/86/39/459968639.db2.gz AOFUUOZYDSCVTC-NSHDSACASA-N 0 0 326.418 3.257 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC12CCCC2 ZINC000593760013 459976386 /nfs/dbraw/zinc/97/63/86/459976386.db2.gz CZDRORLNSAVZTL-UHFFFAOYSA-N 0 0 326.299 3.355 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000588757588 459978561 /nfs/dbraw/zinc/97/85/61/459978561.db2.gz ZRJBWELUCNYUQN-AWEZNQCLSA-N 0 0 339.342 3.457 10 5 EGBERN C[C@@H]1Cc2ccccc2N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588808619 459985240 /nfs/dbraw/zinc/98/52/40/459985240.db2.gz GTEHFUXRKJCXBC-SNVBAGLBSA-N 0 0 332.306 3.393 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593816822 459993793 /nfs/dbraw/zinc/99/37/93/459993793.db2.gz BHZZYUAWJHWOEN-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN CCC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000588923053 460004727 /nfs/dbraw/zinc/00/47/27/460004727.db2.gz MEWKANQTCPXQDQ-MRXNPFEDSA-N 0 0 349.337 3.468 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000593888868 460011549 /nfs/dbraw/zinc/01/15/49/460011549.db2.gz CUXPQTIUKCKKLL-IKWCTNDRSA-N 0 0 334.420 3.386 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593892963 460012222 /nfs/dbraw/zinc/01/22/22/460012222.db2.gz ZAKQNRYBMSLDRE-JYJNAYRXSA-N 0 0 341.367 3.058 10 5 EGBERN CC(C)(CC(F)(F)F)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588969026 460012940 /nfs/dbraw/zinc/01/29/40/460012940.db2.gz DYWNFCJRBBEKQJ-UHFFFAOYSA-N 0 0 340.248 3.263 10 5 EGBERN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758023 460015191 /nfs/dbraw/zinc/01/51/91/460015191.db2.gz GWIMJIYGDLIVLQ-WFASDCNBSA-N 0 0 343.383 3.040 10 5 EGBERN CCc1cncc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000589063193 460022852 /nfs/dbraw/zinc/02/28/52/460022852.db2.gz UTMKJNIWEIFMDA-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN CCOc1cc(N2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000575898792 460029894 /nfs/dbraw/zinc/02/98/94/460029894.db2.gz DLQNLYLRKVARRH-UHFFFAOYSA-N 0 0 342.351 3.371 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000609899351 460036946 /nfs/dbraw/zinc/03/69/46/460036946.db2.gz VOZDHINQNIVGKX-UHFFFAOYSA-N 0 0 332.809 3.025 10 5 EGBERN CO[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000597722848 460038507 /nfs/dbraw/zinc/03/85/07/460038507.db2.gz GVEFMRNQWLVRIX-DOTOQJQBSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C(F)(F)F)CCOCC1 ZINC000598800485 460039907 /nfs/dbraw/zinc/03/99/07/460039907.db2.gz DEHSKRLWSIFMIF-UHFFFAOYSA-N 0 0 332.278 3.201 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729702 460042159 /nfs/dbraw/zinc/04/21/59/460042159.db2.gz NIBALWAFWNVYEX-YOEHRIQHSA-N 0 0 342.399 3.250 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609982315 460045754 /nfs/dbraw/zinc/04/57/54/460045754.db2.gz OQGNVDATKPEQFI-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN CC(C)(C)n1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000593998717 460048143 /nfs/dbraw/zinc/04/81/43/460048143.db2.gz WIADGQVZNHEOPS-UHFFFAOYSA-N 0 0 342.399 3.351 10 5 EGBERN C[C@H](NC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000594000692 460048700 /nfs/dbraw/zinc/04/87/00/460048700.db2.gz GZEYUWVGIRTXMN-JTQLQIEISA-N 0 0 348.790 3.200 10 5 EGBERN Cc1ccc(COCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1 ZINC000598822758 460051493 /nfs/dbraw/zinc/05/14/93/460051493.db2.gz ZOCKKQPXAMCJLG-UHFFFAOYSA-N 0 0 340.379 3.399 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000610086892 460061118 /nfs/dbraw/zinc/06/11/18/460061118.db2.gz FBHXPRNGFLQHMA-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN CCNc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598865214 460074802 /nfs/dbraw/zinc/07/48/02/460074802.db2.gz AFOUPTKHJGFOJO-AWEZNQCLSA-N 0 0 327.331 3.192 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598869684 460076091 /nfs/dbraw/zinc/07/60/91/460076091.db2.gz GUTGAKSMCRGVNP-INIZCTEOSA-N 0 0 342.351 3.182 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610186956 460077009 /nfs/dbraw/zinc/07/70/09/460077009.db2.gz RZEFXAJZKYPWGZ-HOTGVXAUSA-N 0 0 340.379 3.355 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610203902 460081659 /nfs/dbraw/zinc/08/16/59/460081659.db2.gz UJZKQKXONHUISW-SCLBCKFNSA-N 0 0 335.363 3.437 10 5 EGBERN O=C(c1cnc(C2CC2)nc1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598879958 460081729 /nfs/dbraw/zinc/08/17/29/460081729.db2.gz DRNKEQKZNNQEGK-UHFFFAOYSA-N 0 0 338.367 3.245 10 5 EGBERN COC1CC(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597862590 460084447 /nfs/dbraw/zinc/08/44/47/460084447.db2.gz VPXARVSEDSMWCZ-UHFFFAOYSA-N 0 0 346.305 3.159 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598893835 460087866 /nfs/dbraw/zinc/08/78/66/460087866.db2.gz YMZBMHFUBRGYBP-GFCCVEGCSA-N 0 0 347.321 3.432 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594073895 460088529 /nfs/dbraw/zinc/08/85/29/460088529.db2.gz UVTRQFPDUWNHBV-DOTOQJQBSA-N 0 0 344.367 3.419 10 5 EGBERN Nc1c(C(=O)N[C@@H](C(F)F)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000598912491 460092237 /nfs/dbraw/zinc/09/22/37/460092237.db2.gz DGQRPUNUSXJBSZ-CYBMUJFWSA-N 0 0 327.331 3.121 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2c(C)cccc2C)n1 ZINC000597886673 460095659 /nfs/dbraw/zinc/09/56/59/460095659.db2.gz UBKUPPNMYXTVJX-AWEZNQCLSA-N 0 0 342.399 3.405 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(C)s2)c1 ZINC000589498264 460095965 /nfs/dbraw/zinc/09/59/65/460095965.db2.gz HHNBBGRGHWXQRP-UHFFFAOYSA-N 0 0 334.397 3.383 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000598939415 460096476 /nfs/dbraw/zinc/09/64/76/460096476.db2.gz HNLLJCUAUHKJTN-ACJLOTCBSA-N 0 0 339.395 3.267 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2CCCCC2)C1=O ZINC000610286071 460107328 /nfs/dbraw/zinc/10/73/28/460107328.db2.gz YYZZNCRYVXVYLX-SFHVURJKSA-N 0 0 345.399 3.332 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000597917881 460110971 /nfs/dbraw/zinc/11/09/71/460110971.db2.gz CBKBGKMSWPKRIJ-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN C[C@H](C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000594139404 460122011 /nfs/dbraw/zinc/12/20/11/460122011.db2.gz ITJLMCNRUKVJBV-GVXVVHGQSA-N 0 0 338.379 3.300 10 5 EGBERN CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000598999790 460123693 /nfs/dbraw/zinc/12/36/93/460123693.db2.gz HMJVJIKRDNVNAC-UHFFFAOYSA-N 0 0 332.347 3.470 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597952392 460124687 /nfs/dbraw/zinc/12/46/87/460124687.db2.gz RTFGSTUVWVZRLQ-GFCCVEGCSA-N 0 0 345.399 3.463 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000594142655 460124827 /nfs/dbraw/zinc/12/48/27/460124827.db2.gz YTOILIANLSPZJY-LLVKDONJSA-N 0 0 340.445 3.498 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(C3CC3)C2)nc1OCc1ccccc1 ZINC000589695812 460128695 /nfs/dbraw/zinc/12/86/95/460128695.db2.gz YCRYBRFGMVOBFP-UHFFFAOYSA-N 0 0 325.368 3.415 10 5 EGBERN CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCO1 ZINC000594171803 460136670 /nfs/dbraw/zinc/13/66/70/460136670.db2.gz BFWCHADOLYKOBX-HIFRSBDPSA-N 0 0 332.356 3.419 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC(C2CC2)C1 ZINC000589763322 460137139 /nfs/dbraw/zinc/13/71/39/460137139.db2.gz KRFQQZDLPPUXJU-UHFFFAOYSA-N 0 0 329.278 3.487 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599045435 460138148 /nfs/dbraw/zinc/13/81/48/460138148.db2.gz HNOLKKJIOPTYRF-JSGCOSHPSA-N 0 0 342.399 3.202 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599064712 460147716 /nfs/dbraw/zinc/14/77/16/460147716.db2.gz GSXPWZIXVLZNMC-GOEBONIOSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@](CO)(c2ccccc2)C1 ZINC000599079358 460153865 /nfs/dbraw/zinc/15/38/65/460153865.db2.gz FEAGVVCYXCRPFG-FQEVSTJZSA-N 0 0 349.390 3.283 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]([C@@H](CO)C2CC2)C2CC2)ccc2cnccc21 ZINC000599084228 460156047 /nfs/dbraw/zinc/15/60/47/460156047.db2.gz QBKXNCSLQXRCSV-RDJZCZTQSA-N 0 0 327.384 3.352 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598053709 460156371 /nfs/dbraw/zinc/15/63/71/460156371.db2.gz IDEZOWZLYLVDHO-HOCLYGCPSA-N 0 0 346.427 3.334 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2F)C(C)C)n1 ZINC000598068326 460158774 /nfs/dbraw/zinc/15/87/74/460158774.db2.gz MYUSVJGIALFGCR-AWEZNQCLSA-N 0 0 334.351 3.077 10 5 EGBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000599110936 460164052 /nfs/dbraw/zinc/16/40/52/460164052.db2.gz HJNYCDNSNAIDNU-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000599110933 460164396 /nfs/dbraw/zinc/16/43/96/460164396.db2.gz HJNYCDNSNAIDNU-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CCC(C)(C)OC1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599136386 460171753 /nfs/dbraw/zinc/17/17/53/460171753.db2.gz OJIHCCIYCNBVOI-UHFFFAOYSA-N 0 0 333.310 3.402 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC3(CC3)c3ccc(Br)cc32)nc1 ZINC000599140552 460172315 /nfs/dbraw/zinc/17/23/15/460172315.db2.gz SEEPUMVVUMTWHB-UHFFFAOYSA-N 0 0 347.172 3.331 10 5 EGBERN Cc1cc(N2CC3(C2)CCCO3)c(Br)cc1[N+](=O)[O-] ZINC000599144580 460174141 /nfs/dbraw/zinc/17/41/41/460174141.db2.gz KCLHQEFQLIGFOD-UHFFFAOYSA-N 0 0 327.178 3.035 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594280110 460179520 /nfs/dbraw/zinc/17/95/20/460179520.db2.gz LNIUIYFEWRSTNP-WBVHZDCISA-N 0 0 349.431 3.126 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000599180596 460190437 /nfs/dbraw/zinc/19/04/37/460190437.db2.gz MILKBKWRDBNZDK-RNCFNFMXSA-N 0 0 327.178 3.337 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000599181068 460190474 /nfs/dbraw/zinc/19/04/74/460190474.db2.gz PHAYPCYJPQJJPY-HOCLYGCPSA-N 0 0 325.368 3.058 10 5 EGBERN NC(=O)c1cc(NCC2(C(F)(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC000599185428 460192885 /nfs/dbraw/zinc/19/28/85/460192885.db2.gz ULWACUAEILIYAX-UHFFFAOYSA-N 0 0 331.294 3.228 10 5 EGBERN COc1ccc([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)cc1F ZINC000599193229 460194682 /nfs/dbraw/zinc/19/46/82/460194682.db2.gz IHLSJCGVWQFCDB-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN O=C1[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C1CCC1 ZINC000599199621 460197714 /nfs/dbraw/zinc/19/77/14/460197714.db2.gz NLKQRPQXDMCSSA-LBPRGKRZSA-N 0 0 343.305 3.179 10 5 EGBERN COc1ccc([C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cn1 ZINC000599206536 460199818 /nfs/dbraw/zinc/19/98/18/460199818.db2.gz POSZYSMTLLZRKE-INIZCTEOSA-N 0 0 339.355 3.438 10 5 EGBERN CC(C)(C)OCc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000610647815 460204326 /nfs/dbraw/zinc/20/43/26/460204326.db2.gz ZQUOFTDLGSXLIX-UHFFFAOYSA-N 0 0 344.371 3.147 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC000598213503 460206268 /nfs/dbraw/zinc/20/62/68/460206268.db2.gz BWZJIIZOFPAQBP-GXSJLCMTSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1(F)F ZINC000598213702 460206643 /nfs/dbraw/zinc/20/66/43/460206643.db2.gz CWKWNTZEPZZXJD-NSHDSACASA-N 0 0 338.232 3.389 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000594402930 460207428 /nfs/dbraw/zinc/20/74/28/460207428.db2.gz VDSKAAJCHFDMRH-UMSPYCQHSA-N 0 0 331.372 3.152 10 5 EGBERN COc1ccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000598235677 460218243 /nfs/dbraw/zinc/21/82/43/460218243.db2.gz URLOYHJNYBPFHX-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610770049 460234556 /nfs/dbraw/zinc/23/45/56/460234556.db2.gz RPRRUONTGKOMNF-UHFFFAOYSA-N 0 0 345.374 3.470 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000610917113 460260566 /nfs/dbraw/zinc/26/05/66/460260566.db2.gz FOTNHZRETFADIC-NSHDSACASA-N 0 0 346.387 3.331 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599501682 460263209 /nfs/dbraw/zinc/26/32/09/460263209.db2.gz UHHLRWNNEMVJMU-LBPRGKRZSA-N 0 0 346.362 3.324 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610965063 460267585 /nfs/dbraw/zinc/26/75/85/460267585.db2.gz NFFWRWVHZONTSW-UHFFFAOYSA-N 0 0 332.400 3.481 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599527489 460268659 /nfs/dbraw/zinc/26/86/59/460268659.db2.gz BFXHFWCVLFVJEC-ZZKXABKFSA-N 0 0 342.392 3.101 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000599538145 460269974 /nfs/dbraw/zinc/26/99/74/460269974.db2.gz VDZPJXFAFZEDAW-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000619147293 460279659 /nfs/dbraw/zinc/27/96/59/460279659.db2.gz RTOVYUBIDNSYHB-ZDUSSCGKSA-N 0 0 331.416 3.313 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC000611116212 460291502 /nfs/dbraw/zinc/29/15/02/460291502.db2.gz JNOPRYRCPUXPOC-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN COC(=O)[C@@](C)(NCc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599645014 460296855 /nfs/dbraw/zinc/29/68/55/460296855.db2.gz ZGKAFJXDMIPEDR-IBGZPJMESA-N 0 0 342.395 3.390 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599655820 460299716 /nfs/dbraw/zinc/29/97/16/460299716.db2.gz XIOXJJGYZVWCKD-IBGZPJMESA-N 0 0 342.395 3.390 10 5 EGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccncc1 ZINC000611223306 460311224 /nfs/dbraw/zinc/31/12/24/460311224.db2.gz VNBBUEUQGXQWSF-GFCCVEGCSA-N 0 0 336.351 3.072 10 5 EGBERN O=C(NCc1ccncc1C(F)(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000619254920 460314495 /nfs/dbraw/zinc/31/44/95/460314495.db2.gz XTYPDNKODOYVDL-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599701849 460316292 /nfs/dbraw/zinc/31/62/92/460316292.db2.gz MROCZZUOIOAUNO-JTQLQIEISA-N 0 0 327.768 3.186 10 5 EGBERN CC1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000599718345 460320656 /nfs/dbraw/zinc/32/06/56/460320656.db2.gz QYEIYBXEDWCTBK-UHFFFAOYSA-N 0 0 326.343 3.469 10 5 EGBERN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000599740130 460324819 /nfs/dbraw/zinc/32/48/19/460324819.db2.gz YHSCKXKJRGOOCE-MRVPVSSYSA-N 0 0 338.713 3.495 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc2c(s1)CCCC2 ZINC000603816514 460342953 /nfs/dbraw/zinc/34/29/53/460342953.db2.gz LQJVSDKGGUXWTA-UHFFFAOYSA-N 0 0 331.397 3.169 10 5 EGBERN CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832650 460344189 /nfs/dbraw/zinc/34/41/89/460344189.db2.gz HEWIWIZKHOGRHX-NSHDSACASA-N 0 0 344.371 3.222 10 5 EGBERN CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833603 460344861 /nfs/dbraw/zinc/34/48/61/460344861.db2.gz VETRMAKEJSQRFD-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN CC[C@H](C)C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835658 460345681 /nfs/dbraw/zinc/34/56/81/460345681.db2.gz YEHSBLQZVUNZRU-RYUDHWBXSA-N 0 0 346.387 3.062 10 5 EGBERN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000619419405 460350511 /nfs/dbraw/zinc/35/05/11/460350511.db2.gz MKAYNJHJGBKSKA-BETUJISGSA-N 0 0 349.406 3.261 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000611411683 460358896 /nfs/dbraw/zinc/35/88/96/460358896.db2.gz KLUDIOONDSRMKN-UHFFFAOYSA-N 0 0 334.397 3.279 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)o1 ZINC000603926872 460360931 /nfs/dbraw/zinc/36/09/31/460360931.db2.gz RTSVFDLZLMXVKT-UHFFFAOYSA-N 0 0 326.761 3.250 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619500765 460370338 /nfs/dbraw/zinc/37/03/38/460370338.db2.gz QIWFYOFNPCQIBU-LDYMZIIASA-N 0 0 326.278 3.315 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000600042951 460372745 /nfs/dbraw/zinc/37/27/45/460372745.db2.gz DZKYWCBISCDWKX-CQSZACIVSA-N 0 0 345.399 3.013 10 5 EGBERN CCc1cc(=NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[nH]o1 ZINC000611480256 460373681 /nfs/dbraw/zinc/37/36/81/460373681.db2.gz INCPTYDBVVGDCB-UHFFFAOYSA-N 0 0 343.339 3.448 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1F ZINC000611503308 460379657 /nfs/dbraw/zinc/37/96/57/460379657.db2.gz PYIYNYVFBHJOOQ-WCBMZHEXSA-N 0 0 347.293 3.408 10 5 EGBERN CCOc1ccc(C(=O)N2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000611526875 460389149 /nfs/dbraw/zinc/38/91/49/460389149.db2.gz VOULVZBJGCKUEJ-UHFFFAOYSA-N 0 0 342.351 3.423 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCCOC1 ZINC000600164334 460414998 /nfs/dbraw/zinc/41/49/98/460414998.db2.gz GYIWOYCCJRNROT-LBPRGKRZSA-N 0 0 338.429 3.253 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(C2CCOCC2)C1 ZINC000619729992 460423303 /nfs/dbraw/zinc/42/33/03/460423303.db2.gz DVQYFEFQICWTHL-UHFFFAOYSA-N 0 0 338.791 3.055 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000611705884 460433942 /nfs/dbraw/zinc/43/39/42/460433942.db2.gz IDFDKHHCRCABQB-UHFFFAOYSA-N 0 0 337.339 3.264 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOc2ccccc2C1 ZINC000604546903 460444431 /nfs/dbraw/zinc/44/44/31/460444431.db2.gz ISWANJBMDFPTJB-UHFFFAOYSA-N 0 0 337.335 3.111 10 5 EGBERN CCC(F)(F)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600380170 460487021 /nfs/dbraw/zinc/48/70/21/460487021.db2.gz OZXUPCJNTDRHFK-UHFFFAOYSA-N 0 0 341.339 3.493 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000600390629 460487997 /nfs/dbraw/zinc/48/79/97/460487997.db2.gz DATWNVHLOYFFNN-UHFFFAOYSA-N 0 0 330.331 3.161 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000600423081 460493385 /nfs/dbraw/zinc/49/33/85/460493385.db2.gz YLKJYSJHRCPQKP-UHFFFAOYSA-N 0 0 340.257 3.405 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600440171 460495440 /nfs/dbraw/zinc/49/54/40/460495440.db2.gz QAEITNUVQUIGDA-UONOGXRCSA-N 0 0 346.408 3.406 10 5 EGBERN CSc1cccc(C(=O)NCC(=O)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000600486350 460504509 /nfs/dbraw/zinc/50/45/09/460504509.db2.gz LIFPRULYVPTYKS-UHFFFAOYSA-N 0 0 336.413 3.196 10 5 EGBERN Cc1cc(=O)n(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000600528199 460512818 /nfs/dbraw/zinc/51/28/18/460512818.db2.gz GSUJNYNFZJHFEY-QWRGUYRKSA-N 0 0 346.305 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1=O ZINC000600536842 460515900 /nfs/dbraw/zinc/51/59/00/460515900.db2.gz MUKNYNKJLHPGTA-GHMZBOCLSA-N 0 0 346.305 3.003 10 5 EGBERN CC1(C)C[C@@H](SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CO1 ZINC000600567807 460526803 /nfs/dbraw/zinc/52/68/03/460526803.db2.gz BXBNOUKKMBHLLZ-GFCCVEGCSA-N 0 0 335.385 3.446 10 5 EGBERN COc1ccc2c(c1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000612085756 460533134 /nfs/dbraw/zinc/53/31/34/460533134.db2.gz OWIPVGKCNUIUKR-ZDUSSCGKSA-N 0 0 346.408 3.261 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000612085755 460533395 /nfs/dbraw/zinc/53/33/95/460533395.db2.gz OWIPVGKCNUIUKR-CYBMUJFWSA-N 0 0 346.408 3.261 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cnn3c2CCCC3)c1 ZINC000601150798 460734046 /nfs/dbraw/zinc/73/40/46/460734046.db2.gz DJEOLMREZPGFSG-UHFFFAOYSA-N 0 0 338.314 3.341 10 5 EGBERN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601211704 460752261 /nfs/dbraw/zinc/75/22/61/460752261.db2.gz JVTZPWYFKUEZLE-AWEZNQCLSA-N 0 0 327.384 3.232 10 5 EGBERN CC1CC(n2nnc3c2CN(c2c(Cl)cccc2[N+](=O)[O-])CC3)C1 ZINC000601234368 460759629 /nfs/dbraw/zinc/75/96/29/460759629.db2.gz BXJXJXSVZMEDIZ-UHFFFAOYSA-N 0 0 347.806 3.373 10 5 EGBERN Cc1cc(N2CCc3nnn(C4CC(C)C4)c3C2)c(F)cc1[N+](=O)[O-] ZINC000601232961 460759996 /nfs/dbraw/zinc/75/99/96/460759996.db2.gz VZAVUCPUKVNSSO-UHFFFAOYSA-N 0 0 345.378 3.168 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([C@@H]2CCCCO2)CCC1 ZINC000601241727 460763534 /nfs/dbraw/zinc/76/35/34/460763534.db2.gz FNQDEYVVBWCTPY-INIZCTEOSA-N 0 0 347.415 3.106 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CCC3)[C@@H]3CCCO3)cc2N1 ZINC000601250436 460765158 /nfs/dbraw/zinc/76/51/58/460765158.db2.gz KAWMCUFBCQBGJN-FUHWJXTLSA-N 0 0 345.399 3.239 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CCC3)[C@H]3CCCO3)cc2N1 ZINC000601250437 460765228 /nfs/dbraw/zinc/76/52/28/460765228.db2.gz KAWMCUFBCQBGJN-SJLPKXTDSA-N 0 0 345.399 3.239 10 5 EGBERN CO[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)(C)C ZINC000601267691 460769600 /nfs/dbraw/zinc/76/96/00/460769600.db2.gz RBLURTJYJPEMIW-OAHLLOKOSA-N 0 0 334.416 3.194 10 5 EGBERN CCCN(CC(C)(C)O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601272528 460772342 /nfs/dbraw/zinc/77/23/42/460772342.db2.gz KNLNSSJBNBBUQT-UHFFFAOYSA-N 0 0 334.416 3.026 10 5 EGBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000601295305 460780439 /nfs/dbraw/zinc/78/04/39/460780439.db2.gz SYMBPSPWNUAFLT-DINDLPBHSA-N 0 0 344.342 3.417 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601303629 460783015 /nfs/dbraw/zinc/78/30/15/460783015.db2.gz HOIJJEFDAGQTOB-GFCCVEGCSA-N 0 0 338.410 3.100 10 5 EGBERN CC(C)(c1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCCCO1 ZINC000601354350 460793773 /nfs/dbraw/zinc/79/37/73/460793773.db2.gz YRRGSXXIYRLMGU-AWEZNQCLSA-N 0 0 331.372 3.415 10 5 EGBERN CC[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C ZINC000601541743 460826968 /nfs/dbraw/zinc/82/69/68/460826968.db2.gz WNQMFHGYSRMNEM-CYBMUJFWSA-N 0 0 336.436 3.417 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601659198 460859861 /nfs/dbraw/zinc/85/98/61/460859861.db2.gz NBJUEVMJLUFAIB-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000601669231 460864135 /nfs/dbraw/zinc/86/41/35/460864135.db2.gz BBXGOJNMPDYWJK-IAGOWNOFSA-N 0 0 346.358 3.222 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000601670930 460864380 /nfs/dbraw/zinc/86/43/80/460864380.db2.gz LUQGWJBNFJJXLD-KBPBESRZSA-N 0 0 344.342 3.036 10 5 EGBERN C[C@H](C1CC1)N(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000601715497 460881462 /nfs/dbraw/zinc/88/14/62/460881462.db2.gz SWNPRRLSDMNACK-LLVKDONJSA-N 0 0 327.340 3.141 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2ccccc2F)CC1 ZINC000601737198 460886140 /nfs/dbraw/zinc/88/61/40/460886140.db2.gz KRCKPXVHGLTJTA-UHFFFAOYSA-N 0 0 334.303 3.011 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(CCF)CC1 ZINC000601746646 460889532 /nfs/dbraw/zinc/88/95/32/460889532.db2.gz DMEATHTWXLFUHD-UHFFFAOYSA-N 0 0 346.305 3.408 10 5 EGBERN C[C@@](CO)(NC(=O)[C@H]1CCCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601778651 460896295 /nfs/dbraw/zinc/89/62/95/460896295.db2.gz PACDRCCUTGUPSX-QAPCUYQASA-N 0 0 334.416 3.135 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000601853029 460926325 /nfs/dbraw/zinc/92/63/25/460926325.db2.gz FUFZWTYMGHAKLF-OAHLLOKOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1c(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000601858766 460927837 /nfs/dbraw/zinc/92/78/37/460927837.db2.gz ZAJOWZJOTIBSGC-INIZCTEOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSc1cc(C(F)(F)F)ccn1 ZINC000601917841 460943488 /nfs/dbraw/zinc/94/34/88/460943488.db2.gz LQTUNPIZRAFYPY-UHFFFAOYSA-N 0 0 332.307 3.306 10 5 EGBERN CCOC(=O)c1ncc(CNc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000601926512 460946658 /nfs/dbraw/zinc/94/66/58/460946658.db2.gz NBBFHMJMOJVJJX-UHFFFAOYSA-N 0 0 335.385 3.457 10 5 EGBERN CC(C)(F)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000633726194 461220326 /nfs/dbraw/zinc/22/03/26/461220326.db2.gz POEZAOKMDRWNFA-UHFFFAOYSA-N 0 0 326.371 3.019 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000648670797 462220116 /nfs/dbraw/zinc/22/01/16/462220116.db2.gz HXXFANMIFCRNCZ-BZUAXINKSA-N 0 0 346.430 3.460 10 5 EGBERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000190189559 533755762 /nfs/dbraw/zinc/75/57/62/533755762.db2.gz QKZSNKHYNDABNW-LLVKDONJSA-N 0 0 330.388 3.111 10 5 EGBERN CSc1ccc(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178829401 534183864 /nfs/dbraw/zinc/18/38/64/534183864.db2.gz PZJIBSOVWNDOIU-UHFFFAOYSA-N 0 0 331.397 3.074 10 5 EGBERN Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n(C2CCOCC2)n1 ZINC000434326270 518187661 /nfs/dbraw/zinc/18/76/61/518187661.db2.gz SCAUCOHLPAXBRT-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412143058 518199807 /nfs/dbraw/zinc/19/98/07/518199807.db2.gz INWYTTIUPKYIMZ-CRAIPNDOSA-N 0 0 328.343 3.138 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181628138 534345046 /nfs/dbraw/zinc/34/50/46/534345046.db2.gz IHBWFSKKJRCGIC-UHFFFAOYSA-N 0 0 342.277 3.304 10 5 EGBERN CC(=O)c1ccc(NCC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000351864662 534868448 /nfs/dbraw/zinc/86/84/48/534868448.db2.gz YTZOGXWBIBRHCZ-CQSZACIVSA-N 0 0 342.351 3.439 10 5 EGBERN CC(C)c1nnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000178000250 528424197 /nfs/dbraw/zinc/42/41/97/528424197.db2.gz ZGUHMOBLNFAJDP-UHFFFAOYSA-N 0 0 329.404 3.011 10 5 EGBERN CCOC1CC(CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000190062379 528481881 /nfs/dbraw/zinc/48/18/81/528481881.db2.gz FSNJCHRNZBAJGH-JLHYYAGUSA-N 0 0 332.400 3.320 10 5 EGBERN CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H](C)c1cccnc1 ZINC000160053762 529073159 /nfs/dbraw/zinc/07/31/59/529073159.db2.gz IWVARZUKBAJFNK-SNVBAGLBSA-N 0 0 335.310 3.491 10 5 EGBERN CC[C@H](NC(=O)C(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000186106737 536153244 /nfs/dbraw/zinc/15/32/44/536153244.db2.gz JRDUQACLDNUWNC-HNNXBMFYSA-N 0 0 342.351 3.054 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000350701498 536954888 /nfs/dbraw/zinc/95/48/88/536954888.db2.gz QAGYQJJBICQKQP-GXSJLCMTSA-N 0 0 346.305 3.198 10 5 EGBERN O=C(Nc1cnoc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000681978340 550056664 /nfs/dbraw/zinc/05/66/64/550056664.db2.gz VQFSNBIIRDGAHE-UHFFFAOYSA-N 0 0 341.273 3.200 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cc(F)cc(F)c1 ZINC000728201543 574729140 /nfs/dbraw/zinc/72/91/40/574729140.db2.gz MVOGINVABSCXCV-SNVBAGLBSA-N 0 0 347.321 3.263 10 5 EGBERN COC(=O)c1cc(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)oc1C ZINC000728202165 574729509 /nfs/dbraw/zinc/72/95/09/574729509.db2.gz UBOZJUVDAKYFAJ-SNVBAGLBSA-N 0 0 330.340 3.234 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000732401197 575266745 /nfs/dbraw/zinc/26/67/45/575266745.db2.gz GWTGPPWZXVQOPW-CMDGGOBGSA-N 0 0 331.328 3.290 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000732941829 575297636 /nfs/dbraw/zinc/29/76/36/575297636.db2.gz FLRSATILLCBQNB-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN C[C@H](COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000735136927 575604514 /nfs/dbraw/zinc/60/45/14/575604514.db2.gz SVGXYLQCHNOWCV-GFCCVEGCSA-N 0 0 333.315 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000735487444 575668492 /nfs/dbraw/zinc/66/84/92/575668492.db2.gz YWLAPMRYOZSVGG-LBPRGKRZSA-N 0 0 343.261 3.034 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000735487688 575668496 /nfs/dbraw/zinc/66/84/96/575668496.db2.gz VIRHOENRWWNLPY-GFCCVEGCSA-N 0 0 327.262 3.154 10 5 EGBERN COc1c(C)cnc(COC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000736809824 576037111 /nfs/dbraw/zinc/03/71/11/576037111.db2.gz JCABWMAIOPDSRC-UHFFFAOYSA-N 0 0 330.340 3.281 10 5 EGBERN CC(C)[C@H](CCc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000741114952 576655411 /nfs/dbraw/zinc/65/54/11/576655411.db2.gz QFQBMTBBFUAVIR-KRWDZBQOSA-N 0 0 345.399 3.382 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000741603228 576704558 /nfs/dbraw/zinc/70/45/58/576704558.db2.gz HFQBAFJEZADCCB-SJLPKXTDSA-N 0 0 344.342 3.203 10 5 EGBERN COc1cccc(F)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000742418384 576781918 /nfs/dbraw/zinc/78/19/18/576781918.db2.gz PETGYQOLRDQYGM-MRVPVSSYSA-N 0 0 332.291 3.452 10 5 EGBERN Cc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c(N)c([N+](=O)[O-])c1 ZINC000743789874 576815966 /nfs/dbraw/zinc/81/59/66/576815966.db2.gz ZKDFLFUPIROZNP-JTQLQIEISA-N 0 0 349.337 3.297 10 5 EGBERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000744475819 576829288 /nfs/dbraw/zinc/82/92/88/576829288.db2.gz UZUBTUHOOMZSDA-UHFFFAOYSA-N 0 0 341.298 3.277 10 5 EGBERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000744585095 576831427 /nfs/dbraw/zinc/83/14/27/576831427.db2.gz LOZMOYAPPWGCQD-QMMMGPOBSA-N 0 0 343.307 3.445 10 5 EGBERN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cnc2C)cc(C)c1F ZINC000744595735 576831590 /nfs/dbraw/zinc/83/15/90/576831590.db2.gz OXKUQOWRMINLDK-UHFFFAOYSA-N 0 0 346.314 3.094 10 5 EGBERN C[C@@H](OC(=O)/C=C\C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000745551781 576849877 /nfs/dbraw/zinc/84/98/77/576849877.db2.gz DJNUWBZNHPGXHP-WQAKUFEDSA-N 0 0 338.747 3.085 10 5 EGBERN COC(=O)/C(C)=C/COc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000094296026 1292942150 /nfs/dbraw/zinc/94/21/50/1292942150.db2.gz GVQNFUOPZKPBKZ-XBXARRHUSA-N 0 0 344.161 3.164 10 5 EGBERN CN(C(=O)c1cccnc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000159191573 1294228068 /nfs/dbraw/zinc/22/80/68/1294228068.db2.gz HHMCDNJXWGOMQE-UHFFFAOYSA-N 0 0 336.145 3.029 10 5 EGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000160676538 1294273994 /nfs/dbraw/zinc/27/39/94/1294273994.db2.gz CJVJRKRLCYBWGY-UHFFFAOYSA-N 0 0 328.166 3.375 10 5 EGBERN CCOc1cc(COC(=O)[C@@H]2CC23CC(OCC)C3)ccc1[N+](=O)[O-] ZINC000869930522 1295543010 /nfs/dbraw/zinc/54/30/10/1295543010.db2.gz SJLYPCGYYCDKJL-FVRSWCFKSA-N 0 0 349.383 3.242 10 5 EGBERN O=C(CCc1ccc(Cl)cc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829045 1296106090 /nfs/dbraw/zinc/10/60/90/1296106090.db2.gz DSMODZAMTWSNEF-UHFFFAOYSA-N 0 0 349.774 3.324 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CCCS1 ZINC000871029606 1296184894 /nfs/dbraw/zinc/18/48/94/1296184894.db2.gz FGFOFHWFBMIIAK-GFCCVEGCSA-N 0 0 328.821 3.193 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000871172083 1296258780 /nfs/dbraw/zinc/25/87/80/1296258780.db2.gz PCXHQQADXSPPKM-XHSDSOJGSA-N 0 0 332.400 3.162 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000871211918 1296276278 /nfs/dbraw/zinc/27/62/78/1296276278.db2.gz SPCYTHSYIRLGQG-UHFFFAOYSA-N 0 0 332.234 3.345 10 5 EGBERN C/C(=C/C(=O)NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000871215124 1296279336 /nfs/dbraw/zinc/27/93/36/1296279336.db2.gz OPMYIRNIGPNHIK-KTKRTIGZSA-N 0 0 332.278 3.388 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000871275083 1296309626 /nfs/dbraw/zinc/30/96/26/1296309626.db2.gz GKGAOSPOCUKPMC-HNNXBMFYSA-N 0 0 344.367 3.493 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871582095 1296441729 /nfs/dbraw/zinc/44/17/29/1296441729.db2.gz NBAPQMMXCQJHQL-NSHDSACASA-N 0 0 338.791 3.185 10 5 EGBERN C/C(=C/C(=O)NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000871583790 1296442495 /nfs/dbraw/zinc/44/24/95/1296442495.db2.gz XOJJTRFAHMWPNE-OBEJXRGXSA-N 0 0 344.411 3.321 10 5 EGBERN CCO[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000872061523 1296708623 /nfs/dbraw/zinc/70/86/23/1296708623.db2.gz FRCXYGFPGJCEDI-MVQRFQBOSA-N 0 0 338.379 3.111 10 5 EGBERN CC(=O)NCc1ccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872086842 1296725972 /nfs/dbraw/zinc/72/59/72/1296725972.db2.gz YELAVSTWLJTKOZ-LBPRGKRZSA-N 0 0 345.374 3.221 10 5 EGBERN CCCCN(CC)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000302244849 1296801506 /nfs/dbraw/zinc/80/15/06/1296801506.db2.gz HSRDISLRFUSQOT-UHFFFAOYSA-N 0 0 330.182 3.015 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000873574954 1297599144 /nfs/dbraw/zinc/59/91/44/1297599144.db2.gz QFZDXTQTWLFQTL-SWLSCSKDSA-N 0 0 337.372 3.354 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000875054520 1298215319 /nfs/dbraw/zinc/21/53/19/1298215319.db2.gz VEWFMSXSMPNZJO-GHMZBOCLSA-N 0 0 338.335 3.040 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC(C)(C)C ZINC000875054267 1298216317 /nfs/dbraw/zinc/21/63/17/1298216317.db2.gz MIEMWTNEMUVZEP-ABKXIKBNSA-N 0 0 338.335 3.040 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000875250430 1298273996 /nfs/dbraw/zinc/27/39/96/1298273996.db2.gz FNJQLINJUPCYNP-ABKXIKBNSA-N 0 0 338.335 3.040 10 5 EGBERN CC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C(C)(C)C)C1 ZINC000876341223 1298709153 /nfs/dbraw/zinc/70/91/53/1298709153.db2.gz DLVBOCGHPYIFEE-CYBMUJFWSA-N 0 0 347.415 3.089 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000876404478 1298742000 /nfs/dbraw/zinc/74/20/00/1298742000.db2.gz XQZCVFPVSYJEMY-VXGBXAGGSA-N 0 0 344.289 3.230 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@]12CCCO2 ZINC000882611940 1302034717 /nfs/dbraw/zinc/03/47/17/1302034717.db2.gz MOHFYCLICXCAEG-AEFFLSMTSA-N 0 0 347.415 3.005 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCC3(COC3)CC2)c1 ZINC000882754558 1302090337 /nfs/dbraw/zinc/09/03/37/1302090337.db2.gz XWFCHIVGASSWNY-UHFFFAOYSA-N 0 0 336.413 3.006 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378177 1302831962 /nfs/dbraw/zinc/83/19/62/1302831962.db2.gz KUCNMVFHJSDDDW-BBRMVZONSA-N 0 0 347.415 3.304 10 5 EGBERN C/C(=C\C(=O)NC1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000887089912 1303670334 /nfs/dbraw/zinc/67/03/34/1303670334.db2.gz ACOCTBBYRXJKLF-CJTWTEFWSA-N 0 0 330.384 3.216 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@@H]1C1CC1 ZINC000888487040 1304179978 /nfs/dbraw/zinc/17/99/78/1304179978.db2.gz GPVCUZQUKYDPKY-GVDBMIGSSA-N 0 0 346.452 3.442 10 5 EGBERN Cc1cnc(F)cc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000889621456 1304545786 /nfs/dbraw/zinc/54/57/86/1304545786.db2.gz CZFDXWDEMOGCGN-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@]12CCC[C@H]1OCC2 ZINC000892638677 1305483815 /nfs/dbraw/zinc/48/38/15/1305483815.db2.gz CFUICKQDDXSTHX-PBHICJAKSA-N 0 0 327.340 3.041 10 5 EGBERN CSc1ccc(C(=O)O[C@H]2CCn3c(C)cnc32)cc1[N+](=O)[O-] ZINC000893514547 1305943260 /nfs/dbraw/zinc/94/32/60/1305943260.db2.gz CDSOUXUJOLDXQH-LBPRGKRZSA-N 0 0 333.369 3.123 10 5 EGBERN CC(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])=C1CCC1 ZINC000893617452 1305987829 /nfs/dbraw/zinc/98/78/29/1305987829.db2.gz CFBXVFPAROQNFX-UHFFFAOYSA-N 0 0 339.189 3.474 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000893693374 1306032206 /nfs/dbraw/zinc/03/22/06/1306032206.db2.gz WDJVKDFTSHFAOS-PZSREKOKSA-N 0 0 327.384 3.314 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000893860810 1306101946 /nfs/dbraw/zinc/10/19/46/1306101946.db2.gz CBMZECCBHYJFEJ-IUODEOHRSA-N 0 0 340.807 3.112 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000894530022 1308940292 /nfs/dbraw/zinc/94/02/92/1308940292.db2.gz CDGKTFWAZNTCTC-GFCCVEGCSA-N 0 0 338.791 3.327 10 5 EGBERN C[C@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000894666192 1309012832 /nfs/dbraw/zinc/01/28/32/1309012832.db2.gz SZUQVLARGNOEEX-INIZCTEOSA-N 0 0 336.363 3.203 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000894777968 1309066501 /nfs/dbraw/zinc/06/65/01/1309066501.db2.gz RQEGCFKMOKMIOC-APPDUMDISA-N 0 0 347.802 3.395 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCc3nc[nH]c3C23CCC3)c(Cl)c1 ZINC000895069385 1309178014 /nfs/dbraw/zinc/17/80/14/1309178014.db2.gz XODDJHLXQVLHDS-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN COc1cc(CNCc2cnc(Cl)s2)c([N+](=O)[O-])cc1OC ZINC000895155914 1309215440 /nfs/dbraw/zinc/21/54/40/1309215440.db2.gz OWNUYXSCBZVPIG-UHFFFAOYSA-N 0 0 343.792 3.012 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895212224 1309241887 /nfs/dbraw/zinc/24/18/87/1309241887.db2.gz XGDAFYAEXBKYPB-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN CN(Cc1ccns1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000895454414 1309345724 /nfs/dbraw/zinc/34/57/24/1309345724.db2.gz YYAWDDCLYOARTG-UHFFFAOYSA-N 0 0 343.412 3.084 10 5 EGBERN Cc1cc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnc1C ZINC000895644643 1309446057 /nfs/dbraw/zinc/44/60/57/1309446057.db2.gz COUKKVCOYQADOK-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN CC1(C)CO[C@@H](CCc2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000895958602 1309612760 /nfs/dbraw/zinc/61/27/60/1309612760.db2.gz QEWJPDWXZNLEAW-ZDUSSCGKSA-N 0 0 331.372 3.316 10 5 EGBERN Cc1cc(C)cc(-c2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)c1 ZINC000896082289 1309690862 /nfs/dbraw/zinc/69/08/62/1309690862.db2.gz UEACGJQPZDFKPR-UHFFFAOYSA-N 0 0 327.344 3.242 10 5 EGBERN C[S@@](=O)CCCc1noc(-c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC000896384712 1309833671 /nfs/dbraw/zinc/83/36/71/1309833671.db2.gz YHMGCDJLZOAKDF-XMMPIXPASA-N 0 0 345.380 3.109 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000897563558 1310382537 /nfs/dbraw/zinc/38/25/37/1310382537.db2.gz WWPYDGZRNYFUGA-GJZGRUSLSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc3n(n2)CCCC3)c1C ZINC000898389832 1310705111 /nfs/dbraw/zinc/70/51/11/1310705111.db2.gz RJKOTCPVGPRANP-ZDUSSCGKSA-N 0 0 342.399 3.235 10 5 EGBERN CCOc1cc(OC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000917552716 1319833555 /nfs/dbraw/zinc/83/35/55/1319833555.db2.gz KQWBCPCHGBMMSQ-ZWNOBZJWSA-N 0 0 335.278 3.482 10 5 EGBERN CO[C@@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000857633940 1328570874 /nfs/dbraw/zinc/57/08/74/1328570874.db2.gz AHNMGPAVTRJWOX-CQSZACIVSA-N 0 0 338.316 3.004 10 5 EGBERN C[C@H](CCc1ccco1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929387140 1328585917 /nfs/dbraw/zinc/58/59/17/1328585917.db2.gz JORVGCYOLGCVCO-GFCCVEGCSA-N 0 0 334.347 3.397 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928138200 1328211825 /nfs/dbraw/zinc/21/18/25/1328211825.db2.gz ISUYTDDWZQPNOP-VIFPVBQESA-N 0 0 340.348 3.085 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCc2nc(C(C)C)ncc2C1 ZINC000857874676 1328612256 /nfs/dbraw/zinc/61/22/56/1328612256.db2.gz PYLNNCJZDHNGQR-UHFFFAOYSA-N 0 0 342.399 3.217 10 5 EGBERN C/C(=C\C(=O)NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000857970994 1328644358 /nfs/dbraw/zinc/64/43/58/1328644358.db2.gz UZHQPMKIENSQCE-BYIUCRAPSA-N 0 0 337.379 3.239 10 5 EGBERN Cc1ccnc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1[N+](=O)[O-] ZINC000858009417 1328655202 /nfs/dbraw/zinc/65/52/02/1328655202.db2.gz ONOFTHMQUTXQEK-HNNXBMFYSA-N 0 0 340.383 3.228 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899404286 1317021506 /nfs/dbraw/zinc/02/15/06/1317021506.db2.gz KUOQAVIYXBEAES-HKCMKHECSA-N 0 0 327.384 3.027 10 5 EGBERN CC(=O)CCC(C)(C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385001 1319020492 /nfs/dbraw/zinc/02/04/92/1319020492.db2.gz LYIDVMFDNMXRBP-UHFFFAOYSA-N 0 0 344.770 3.399 10 5 EGBERN Cc1cc(N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000913530944 1319057444 /nfs/dbraw/zinc/05/74/44/1319057444.db2.gz VMOWVMXTAMGXTP-UHFFFAOYSA-N 0 0 343.383 3.464 10 5 EGBERN CC1(C)C[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000914325494 1319296335 /nfs/dbraw/zinc/29/63/35/1319296335.db2.gz LPXUGBJTWKEKKY-CQSZACIVSA-N 0 0 349.431 3.030 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000915089908 1319419916 /nfs/dbraw/zinc/41/99/16/1319419916.db2.gz OBZBNJYMQWCHQB-LQDVMPOASA-N 0 0 335.429 3.068 10 5 EGBERN Cc1nn(C[C@H]2CC[C@H](C(F)(F)F)O2)c2ccc([N+](=O)[O-])cc12 ZINC000917332871 1319790364 /nfs/dbraw/zinc/79/03/64/1319790364.db2.gz ZXKKBYWJTHBNFT-ZWNOBZJWSA-N 0 0 329.278 3.363 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000858775869 1328857764 /nfs/dbraw/zinc/85/77/64/1328857764.db2.gz IFYORGBFTZOUKT-OSFGSRQVSA-N 0 0 334.372 3.005 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)COCc1ccccc1 ZINC000918534964 1319971710 /nfs/dbraw/zinc/97/17/10/1319971710.db2.gz RFTMFFBNKJVOOT-UHFFFAOYSA-N 0 0 345.351 3.254 10 5 EGBERN C[C@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]2C[C@H]2C1 ZINC000858800011 1328863714 /nfs/dbraw/zinc/86/37/14/1328863714.db2.gz JSCRCYLEQHCLQT-PBKGOJFUSA-N 0 0 331.372 3.400 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000858837028 1328872012 /nfs/dbraw/zinc/87/20/12/1328872012.db2.gz KKIKRNZEAQXHGX-LBPRGKRZSA-N 0 0 329.312 3.203 10 5 EGBERN CC(=O)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000930625590 1328919112 /nfs/dbraw/zinc/91/91/12/1328919112.db2.gz IYYUYYUWMDLRHG-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000859296184 1328962941 /nfs/dbraw/zinc/96/29/41/1328962941.db2.gz DINHEOVWFIQFTQ-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC=CC12CCCC2 ZINC000920161741 1322146378 /nfs/dbraw/zinc/14/63/78/1322146378.db2.gz HFHLWLIBJKQNIA-UHFFFAOYSA-N 0 0 342.804 3.122 10 5 EGBERN O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2ccoc2)[nH]n1 ZINC000921132666 1322261331 /nfs/dbraw/zinc/26/13/31/1322261331.db2.gz CYCCJICBDGFJQR-UHFFFAOYSA-N 0 0 333.687 3.451 10 5 EGBERN Cc1ccc([C@H](C)C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000859576734 1329022730 /nfs/dbraw/zinc/02/27/30/1329022730.db2.gz PSEOEDFKQMCIFU-JTQLQIEISA-N 0 0 335.287 3.165 10 5 EGBERN C[C@@H](NC(=O)NCc1cccc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC000921807445 1322401318 /nfs/dbraw/zinc/40/13/18/1322401318.db2.gz RCEGMHUOAVLNHE-GFCCVEGCSA-N 0 0 341.367 3.090 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922396180 1322519603 /nfs/dbraw/zinc/51/96/03/1322519603.db2.gz WCDKSNUQMSWXHL-ZYHUDNBSSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1nc(CN(C)C)cs1 ZINC000922486280 1322539789 /nfs/dbraw/zinc/53/97/89/1322539789.db2.gz ABVVHDHYRIAROP-UHFFFAOYSA-N 0 0 334.445 3.020 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000922493711 1322541900 /nfs/dbraw/zinc/54/19/00/1322541900.db2.gz SEXFGMHFOCAIBB-JOYOIKCWSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)C12CC(C1)C2 ZINC000922899505 1322644553 /nfs/dbraw/zinc/64/45/53/1322644553.db2.gz PCUCIEMCBANCSK-UHFFFAOYSA-N 0 0 326.146 3.201 10 5 EGBERN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C1CC1 ZINC000923199635 1322710269 /nfs/dbraw/zinc/71/02/69/1322710269.db2.gz IVIZIICUCXBVLT-OCCSQVGLSA-N 0 0 325.748 3.107 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C2CC2)CCC1 ZINC000923332347 1322734927 /nfs/dbraw/zinc/73/49/27/1322734927.db2.gz SNBZLIMERBINAT-UHFFFAOYSA-N 0 0 333.340 3.085 10 5 EGBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC2(CCCC2)C1 ZINC000923427099 1322749880 /nfs/dbraw/zinc/74/98/80/1322749880.db2.gz QZVRYRAHZRNWGE-HNNXBMFYSA-N 0 0 333.384 3.420 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1C[C@]12CCOC2 ZINC000923596974 1322779427 /nfs/dbraw/zinc/77/94/27/1322779427.db2.gz BSKKCLYICJNJPK-LRDDRELGSA-N 0 0 339.775 3.151 10 5 EGBERN CC(=O)CCCCOC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923593855 1322779626 /nfs/dbraw/zinc/77/96/26/1322779626.db2.gz XSFXQRHBTSLYFS-UHFFFAOYSA-N 0 0 327.764 3.483 10 5 EGBERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCc1ccc([N+](=O)[O-])cc1 ZINC000923723815 1322797552 /nfs/dbraw/zinc/79/75/52/1322797552.db2.gz CJFGJMFABSGUGG-RYUDHWBXSA-N 0 0 333.262 3.138 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000923913992 1322845699 /nfs/dbraw/zinc/84/56/99/1322845699.db2.gz XGBRKNCKDVJBMH-HNNXBMFYSA-N 0 0 340.383 3.175 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000923913997 1322845739 /nfs/dbraw/zinc/84/57/39/1322845739.db2.gz XGBRKNCKDVJBMH-OAHLLOKOSA-N 0 0 340.383 3.175 10 5 EGBERN O=C(COC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000859683265 1329054054 /nfs/dbraw/zinc/05/40/54/1329054054.db2.gz XTLIZCMBMUXWJA-SECBINFHSA-N 0 0 345.273 3.285 10 5 EGBERN Cc1ncc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000923968341 1322859575 /nfs/dbraw/zinc/85/95/75/1322859575.db2.gz ZVRXPGDYPCHEFN-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN Cc1nccc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000923967261 1322859622 /nfs/dbraw/zinc/85/96/22/1322859622.db2.gz MPYXNVNKLAEERU-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CC(C)(C(=O)OCc1cc(CO)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000859703576 1329058412 /nfs/dbraw/zinc/05/84/12/1329058412.db2.gz AHDTWMMLSFLXKN-UHFFFAOYSA-N 0 0 347.342 3.247 10 5 EGBERN O=C(OCc1cc(CO)ccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000859720552 1329063475 /nfs/dbraw/zinc/06/34/75/1329063475.db2.gz QCFMFFCZHPIGMB-JKSUJKDBSA-N 0 0 345.326 3.073 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000931495093 1329130494 /nfs/dbraw/zinc/13/04/94/1329130494.db2.gz BHZJAGWJZJSPFV-GXSJLCMTSA-N 0 0 331.294 3.477 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000860119975 1329151354 /nfs/dbraw/zinc/15/13/54/1329151354.db2.gz PCQJORXUCCGZKC-CABZTGNLSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000860167117 1329164186 /nfs/dbraw/zinc/16/41/86/1329164186.db2.gz CAYKLABORSBMJZ-UONOGXRCSA-N 0 0 331.349 3.186 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCC12CC2 ZINC000860176509 1329167009 /nfs/dbraw/zinc/16/70/09/1329167009.db2.gz FOZPVQGLOSYQTI-CYBMUJFWSA-N 0 0 343.339 3.268 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925243495 1325094123 /nfs/dbraw/zinc/09/41/23/1325094123.db2.gz HFGAEYJUHHPMPQ-ZIAGYGMSSA-N 0 0 335.404 3.114 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252144 1325098384 /nfs/dbraw/zinc/09/83/84/1325098384.db2.gz YKBWFFKEOKBXHR-VMGRFDJRSA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925252019 1325098942 /nfs/dbraw/zinc/09/89/42/1325098942.db2.gz HXSUWHFFTMMXDK-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925517393 1325187306 /nfs/dbraw/zinc/18/73/06/1325187306.db2.gz GJKIXOLLRACYFY-ZFWWWQNUSA-N 0 0 349.431 3.297 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000860338893 1329306742 /nfs/dbraw/zinc/30/67/42/1329306742.db2.gz LZUFHSYPVFFIIF-RYUDHWBXSA-N 0 0 338.791 3.137 10 5 EGBERN C[C@@H]1CC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC000860522490 1329326831 /nfs/dbraw/zinc/32/68/31/1329326831.db2.gz OBGOMZNRPDNHEF-VXGBXAGGSA-N 0 0 328.368 3.434 10 5 EGBERN O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cnn(C2CC2)c1 ZINC000860648794 1329340120 /nfs/dbraw/zinc/34/01/20/1329340120.db2.gz WXARYXLDOIUPLW-UHFFFAOYSA-N 0 0 333.369 3.075 10 5 EGBERN CC(C)C(=O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000926879436 1327752753 /nfs/dbraw/zinc/75/27/53/1327752753.db2.gz OZCQIYILVSBQDY-GOSISDBHSA-N 0 0 340.379 3.220 10 5 EGBERN CC(C)C(=O)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000926884623 1327756301 /nfs/dbraw/zinc/75/63/01/1327756301.db2.gz JWSWZTAXFKWTLE-CQSZACIVSA-N 0 0 332.381 3.353 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927319762 1327970456 /nfs/dbraw/zinc/97/04/56/1327970456.db2.gz QGBGEABODHUGCN-ZNPHBUKXSA-N 0 0 334.375 3.408 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[C@H](O)CC1 ZINC000861203112 1329397035 /nfs/dbraw/zinc/39/70/35/1329397035.db2.gz VIKPZRCCTDWOCK-CTYIDZIISA-N 0 0 328.368 3.124 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928243545 1328252368 /nfs/dbraw/zinc/25/23/68/1328252368.db2.gz QSFFPAPZNSLXLY-LBPRGKRZSA-N 0 0 345.399 3.496 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000928244920 1328252906 /nfs/dbraw/zinc/25/29/06/1328252906.db2.gz GNSGYYCUKPAYML-IAQYHMDHSA-N 0 0 326.352 3.208 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C)CC1 ZINC000928538286 1328352808 /nfs/dbraw/zinc/35/28/08/1328352808.db2.gz JPWXEEMZODSRJT-GFCCVEGCSA-N 0 0 338.429 3.346 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000928600536 1328369798 /nfs/dbraw/zinc/36/97/98/1328369798.db2.gz VWPRYWJTHMMRTL-VIFPVBQESA-N 0 0 346.836 3.270 10 5 EGBERN COc1cc(Cl)cc(CCOC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000861363784 1329413139 /nfs/dbraw/zinc/41/31/39/1329413139.db2.gz LXQCMFBSUIBVKK-UHFFFAOYSA-N 0 0 329.780 3.270 10 5 EGBERN Cc1cn(C)nc1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445885 1329418778 /nfs/dbraw/zinc/41/87/78/1329418778.db2.gz PKRUTVLLEUBBHY-LBPRGKRZSA-N 0 0 343.261 3.097 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCO1 ZINC000861520065 1329423632 /nfs/dbraw/zinc/42/36/32/1329423632.db2.gz UZPRXZCUVSYZJL-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000862207004 1329465624 /nfs/dbraw/zinc/46/56/24/1329465624.db2.gz KRPMZOCLJGBIHA-OLZOCXBDSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862728428 1329505647 /nfs/dbraw/zinc/50/56/47/1329505647.db2.gz ZCJYUOCMPZKMBB-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN CC(C)(CCC(=O)N1CCc2c(cccc2C(F)(F)F)C1)[N+](=O)[O-] ZINC000862954551 1329519865 /nfs/dbraw/zinc/51/98/65/1329519865.db2.gz YYOOJCSQNCFXRT-UHFFFAOYSA-N 0 0 344.333 3.426 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1Cl ZINC000863000225 1329521923 /nfs/dbraw/zinc/52/19/23/1329521923.db2.gz SNHXTJMTMBBIRL-JIXVBMEVSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1cccc([C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)C)c1 ZINC000863036734 1329525496 /nfs/dbraw/zinc/52/54/96/1329525496.db2.gz CRNAECRHGZPRNN-ROUUACIJSA-N 0 0 342.395 3.450 10 5 EGBERN COC(=O)[C@](C)(NC(=O)/C=C(\C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000863300608 1329545124 /nfs/dbraw/zinc/54/51/24/1329545124.db2.gz DZYDJGIQOHQGLY-NCUBBLFSSA-N 0 0 348.399 3.092 10 5 EGBERN C/C=C\C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340405 1329548544 /nfs/dbraw/zinc/54/85/44/1329548544.db2.gz KKYZSDAXYVKVID-MPNWYJEXSA-N 0 0 341.415 3.489 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000863508311 1329559521 /nfs/dbraw/zinc/55/95/21/1329559521.db2.gz RFUXRTYWVGCMIG-UHFFFAOYSA-N 0 0 349.284 3.169 10 5 EGBERN CCCCN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864724775 1329640196 /nfs/dbraw/zinc/64/01/96/1329640196.db2.gz RCQBPSUHOQGCAV-UHFFFAOYSA-N 0 0 329.194 3.158 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(F)cc1OC[C@H]1CC2(CO1)CCOCC2 ZINC000865366303 1329689133 /nfs/dbraw/zinc/68/91/33/1329689133.db2.gz KXWVBSZCOZEBFG-SNVBAGLBSA-N 0 0 345.754 3.352 10 5 EGBERN CN(Cc1ccc(Cl)nc1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865430009 1329696309 /nfs/dbraw/zinc/69/63/09/1329696309.db2.gz NCBSFNUINAAMTF-UHFFFAOYSA-N 0 0 349.700 3.032 10 5 EGBERN C[C@H](O)c1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000865462094 1329700349 /nfs/dbraw/zinc/70/03/49/1329700349.db2.gz GAZQNIJCXMPFMU-QMMMGPOBSA-N 0 0 344.293 3.013 10 5 EGBERN CC1(C)C[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865756013 1329735238 /nfs/dbraw/zinc/73/52/38/1329735238.db2.gz VNYOAPPIFIAQEM-SNVBAGLBSA-N 0 0 341.205 3.062 10 5 EGBERN CCC(=O)c1ccc(N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c([N+](=O)[O-])c1 ZINC000866001739 1329758166 /nfs/dbraw/zinc/75/81/66/1329758166.db2.gz GTWOASCJKWHAHD-VUCTXSBTSA-N 0 0 332.400 3.173 10 5 EGBERN CC1(c2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)OCCO1 ZINC000866007242 1329758660 /nfs/dbraw/zinc/75/86/60/1329758660.db2.gz KDXAYRYKSHOXCO-UHFFFAOYSA-N 0 0 349.774 3.475 10 5 EGBERN COc1cccc(N2CCc3cccc(NC(C)=O)c3C2)c1[N+](=O)[O-] ZINC000866039630 1330058170 /nfs/dbraw/zinc/05/81/70/1330058170.db2.gz BOGCXIMROBLJQI-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN COCC1(C2CC2)CN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000866056078 1330060561 /nfs/dbraw/zinc/06/05/61/1330060561.db2.gz DTXUVKHINCXBCJ-UHFFFAOYSA-N 0 0 341.205 3.220 10 5 EGBERN COc1cc(NCc2cccc3c2CCOC3)c([N+](=O)[O-])cc1OC ZINC000866091774 1330064542 /nfs/dbraw/zinc/06/45/42/1330064542.db2.gz NCYVAZXSCSFONR-UHFFFAOYSA-N 0 0 344.367 3.297 10 5 EGBERN CS[C@H]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866125087 1330068048 /nfs/dbraw/zinc/06/80/48/1330068048.db2.gz YTQWAVMKWSADFM-HIFRSBDPSA-N 0 0 334.441 3.417 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1F ZINC000866138588 1330069754 /nfs/dbraw/zinc/06/97/54/1330069754.db2.gz JSKZXXALSJJGQS-LLVKDONJSA-N 0 0 337.351 3.062 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](C2CCC2)[C@@H]2CCOC2)s1 ZINC000866140840 1330069994 /nfs/dbraw/zinc/06/99/94/1330069994.db2.gz GSSQCFKUSFXOHC-MFKMUULPSA-N 0 0 334.401 3.217 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000866173920 1330073256 /nfs/dbraw/zinc/07/32/56/1330073256.db2.gz DAMBEURLJBDHJU-SMDDNHRTSA-N 0 0 339.779 3.185 10 5 EGBERN COc1cc(NC[C@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1OC ZINC000866175434 1330073401 /nfs/dbraw/zinc/07/34/01/1330073401.db2.gz RJNZZVVSBUOPGI-GFCCVEGCSA-N 0 0 336.388 3.231 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCC34CCOCC4)c2c1 ZINC000866174573 1330073558 /nfs/dbraw/zinc/07/35/58/1330073558.db2.gz KWPZLGWEKWGPNN-LBPRGKRZSA-N 0 0 328.372 3.157 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866178733 1330074192 /nfs/dbraw/zinc/07/41/92/1330074192.db2.gz XNKFPUHGHXZPBF-GXSJLCMTSA-N 0 0 343.305 3.250 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000866252778 1330085826 /nfs/dbraw/zinc/08/58/26/1330085826.db2.gz PQDHNVGJFFOLNA-LBPRGKRZSA-N 0 0 345.790 3.027 10 5 EGBERN COc1ccccc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000866272344 1330088651 /nfs/dbraw/zinc/08/86/51/1330088651.db2.gz NKJKOQNMFLLZAA-CYBMUJFWSA-N 0 0 328.372 3.168 10 5 EGBERN COc1ccccc1[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000866272030 1330088653 /nfs/dbraw/zinc/08/86/53/1330088653.db2.gz IPCUUULPSVCGBI-CYBMUJFWSA-N 0 0 330.388 3.111 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000868019572 1330241470 /nfs/dbraw/zinc/24/14/70/1330241470.db2.gz QMDDLVSBZBVUHC-MRXNPFEDSA-N 0 0 325.368 3.390 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000868121359 1330251790 /nfs/dbraw/zinc/25/17/90/1330251790.db2.gz GWSAOPRFDWQGCG-PVUWLOKVSA-N 0 0 347.415 3.018 10 5 EGBERN CO[C@@H](CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000868129134 1330253115 /nfs/dbraw/zinc/25/31/15/1330253115.db2.gz PQBZXQWNOPIYKB-KRWDZBQOSA-N 0 0 343.383 3.090 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868506424 1330288086 /nfs/dbraw/zinc/28/80/86/1330288086.db2.gz LAKSPOWORGIVDO-UHFFFAOYSA-N 0 0 335.335 3.013 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868749838 1330331147 /nfs/dbraw/zinc/33/11/47/1330331147.db2.gz VAGCATPLTRBFRE-DLBZAZTESA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000868813040 1330350031 /nfs/dbraw/zinc/35/00/31/1330350031.db2.gz RMVMOAHWKSUYDO-UONOGXRCSA-N 0 0 331.397 3.320 10 5 EGBERN Cc1ccc(CNC(=O)N2CCOc3ccccc3C2)cc1[N+](=O)[O-] ZINC000869053444 1330403193 /nfs/dbraw/zinc/40/31/93/1330403193.db2.gz NOJKGNOHUIKQEH-UHFFFAOYSA-N 0 0 341.367 3.007 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000869053636 1330403232 /nfs/dbraw/zinc/40/32/32/1330403232.db2.gz PSNZSQITIZKNTQ-ZDUSSCGKSA-N 0 0 328.372 3.201 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869304969 1330458279 /nfs/dbraw/zinc/45/82/79/1330458279.db2.gz XHNUGXUWHWSADV-HNNXBMFYSA-N 0 0 342.370 3.465 10 5 EGBERN C[C@H]1OCC[C@H]1COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000869490677 1330510159 /nfs/dbraw/zinc/51/01/59/1330510159.db2.gz CRBAWSISOOXCSN-OLZOCXBDSA-N 0 0 337.375 3.263 10 5 EGBERN Cc1ccc(C)c(C(=O)CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000869576026 1330526162 /nfs/dbraw/zinc/52/61/62/1330526162.db2.gz JFCHKMIXEFRQAW-UHFFFAOYSA-N 0 0 340.379 3.143 10 5 EGBERN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@]12CCC[C@H]1OCC2 ZINC000869717003 1330552271 /nfs/dbraw/zinc/55/22/71/1330552271.db2.gz OBLQRTVGZNIPDV-HIFRSBDPSA-N 0 0 325.748 3.251 10 5 EGBERN COc1ccc([C@@H](O)CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001184810889 1387543771 /nfs/dbraw/zinc/54/37/71/1387543771.db2.gz BEUBPNMSOHADAO-KRWDZBQOSA-N 0 0 339.351 3.297 10 5 EGBERN O=C(CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])NC1CCCCC1 ZINC001185054989 1387601211 /nfs/dbraw/zinc/60/12/11/1387601211.db2.gz KKBTZXZUGIQCGF-UHFFFAOYSA-N 0 0 345.321 3.474 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001185518274 1387737340 /nfs/dbraw/zinc/73/73/40/1387737340.db2.gz JLHNFJVAXKGPKY-ZDUSSCGKSA-N 0 0 335.404 3.349 10 5 EGBERN Cc1cc(C)nc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c1 ZINC001189423209 1367017947 /nfs/dbraw/zinc/01/79/47/1367017947.db2.gz BOIBKNNPCXNGRW-UHFFFAOYSA-N 0 0 327.319 3.053 10 5 EGBERN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001190399848 1367253896 /nfs/dbraw/zinc/25/38/96/1367253896.db2.gz QUUKIVSCPDABRF-UHFFFAOYSA-N 0 0 337.738 3.462 10 5 EGBERN COC(=O)Cc1ccc(Nc2ccn(CCC(C)C)n2)c([N+](=O)[O-])c1 ZINC001186089405 1387866452 /nfs/dbraw/zinc/86/64/52/1387866452.db2.gz QHODZMSHXALMHU-UHFFFAOYSA-N 0 0 346.387 3.297 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC001192867992 1367891762 /nfs/dbraw/zinc/89/17/62/1367891762.db2.gz DUEZOKIVCINXSH-BXUZGUMPSA-N 0 0 330.306 3.376 10 5 EGBERN Cc1csc([C@H](C)NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC001193080900 1367938958 /nfs/dbraw/zinc/93/89/58/1367938958.db2.gz KUVZKNJJQPERHQ-JTQLQIEISA-N 0 0 345.384 3.261 10 5 EGBERN CC[C@H]1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001186478743 1387951431 /nfs/dbraw/zinc/95/14/31/1387951431.db2.gz DQUBWKQJWBWRSK-RYUDHWBXSA-N 0 0 326.418 3.237 10 5 EGBERN C[C@@H]1CCC(F)(F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001198641071 1369079619 /nfs/dbraw/zinc/07/96/19/1369079619.db2.gz LXOZQQBTJMJDRJ-SNVBAGLBSA-N 0 0 345.321 3.182 10 5 EGBERN C[C@H]1CCC(F)(F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001198641070 1369079726 /nfs/dbraw/zinc/07/97/26/1369079726.db2.gz LXOZQQBTJMJDRJ-JTQLQIEISA-N 0 0 345.321 3.182 10 5 EGBERN CCOC(=O)[C@@]1(F)CN(c2ccc([N+](=O)[O-])c(C)c2)CC12CCC2 ZINC001187006842 1388039125 /nfs/dbraw/zinc/03/91/25/1388039125.db2.gz CUDVSYQXDXXIRQ-KRWDZBQOSA-N 0 0 336.363 3.165 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(Cc3ccc4ccccc4c3)o2)n1 ZINC001325784381 1388045761 /nfs/dbraw/zinc/04/57/61/1388045761.db2.gz YWVJVNSPXDGHAG-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN Cc1nc(N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001187090707 1388049186 /nfs/dbraw/zinc/04/91/86/1388049186.db2.gz KOOVQRPDPMLFFB-XHDPSFHLSA-N 0 0 348.790 3.313 10 5 EGBERN Cn1ncc2c1CN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C2 ZINC001187151924 1388059502 /nfs/dbraw/zinc/05/95/02/1388059502.db2.gz OKYMAMJGKOAECN-UHFFFAOYSA-N 0 0 348.362 3.080 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CC(O)(c2ccc(Br)cc2)C1 ZINC001187150855 1388059676 /nfs/dbraw/zinc/05/96/76/1388059676.db2.gz GNABXCUOYIBHJX-UHFFFAOYSA-N 0 0 349.184 3.065 10 5 EGBERN Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(C)n1 ZINC001116399896 1370903536 /nfs/dbraw/zinc/90/35/36/1370903536.db2.gz PPKVGQHBXMHUPA-UHFFFAOYSA-N 0 0 327.365 3.496 10 5 EGBERN C[C@@](CO)(NC(=O)/C=C\C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119052360 1371271252 /nfs/dbraw/zinc/27/12/52/1371271252.db2.gz IRJUHEXCIINIGE-LENZSSGSSA-N 0 0 332.400 3.055 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCC2CCC(O)CC2)c1 ZINC001326198022 1388126675 /nfs/dbraw/zinc/12/66/75/1388126675.db2.gz WIRZYEXBZKCMND-UHFFFAOYSA-N 0 0 325.386 3.025 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001326211655 1388128306 /nfs/dbraw/zinc/12/83/06/1388128306.db2.gz PPGRSRCVLUDPHT-UHFFFAOYSA-N 0 0 347.289 3.322 10 5 EGBERN CCC(=O)c1ccc(N[C@H]2CC[C@@H](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001187832744 1388173954 /nfs/dbraw/zinc/17/39/54/1388173954.db2.gz NILMJRNQRXIQBH-YPMHNXCESA-N 0 0 334.372 3.331 10 5 EGBERN COC(=O)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCC1 ZINC001187841216 1388175500 /nfs/dbraw/zinc/17/55/00/1388175500.db2.gz IXFHCGMGFBYNCU-LBPRGKRZSA-N 0 0 346.387 3.253 10 5 EGBERN C[C@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC001123242354 1372405508 /nfs/dbraw/zinc/40/55/08/1372405508.db2.gz QCRYNSBXZJSDPP-NEPJUHHUSA-N 0 0 339.363 3.443 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001123255067 1372408285 /nfs/dbraw/zinc/40/82/85/1372408285.db2.gz GXHUXZPXSLBXGI-ZDUSSCGKSA-N 0 0 334.303 3.225 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC001124026870 1372660003 /nfs/dbraw/zinc/66/00/03/1372660003.db2.gz XOAVYNQPWCGDQV-HNNXBMFYSA-N 0 0 345.399 3.353 10 5 EGBERN O=C(NCCCC1CCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001124056216 1372666787 /nfs/dbraw/zinc/66/67/87/1372666787.db2.gz GGDGXHYXYFGTSO-KRWDZBQOSA-N 0 0 345.399 3.174 10 5 EGBERN COc1ccccc1CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001124155856 1372680459 /nfs/dbraw/zinc/68/04/59/1372680459.db2.gz AFCAPKCUFBSZGC-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2cc(=O)[nH]cc21 ZINC001124331662 1372692719 /nfs/dbraw/zinc/69/27/19/1372692719.db2.gz JQJBWTDROCGPSY-UHFFFAOYSA-N 0 0 327.271 3.240 10 5 EGBERN COc1ccc(NC(=O)c2ccnc(-n3cccc3)c2)c([N+](=O)[O-])c1 ZINC001124340668 1372693576 /nfs/dbraw/zinc/69/35/76/1372693576.db2.gz HDSSNYXEPFIUGC-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)co1 ZINC001124881888 1372737778 /nfs/dbraw/zinc/73/77/78/1372737778.db2.gz AQPDQXQUVJHADS-UHFFFAOYSA-N 0 0 339.145 3.223 10 5 EGBERN CCC[C@H](C)N(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001125041640 1372748959 /nfs/dbraw/zinc/74/89/59/1372748959.db2.gz ZNZHNWAWEBZAOF-LBPRGKRZSA-N 0 0 330.388 3.256 10 5 EGBERN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC001125273100 1372765805 /nfs/dbraw/zinc/76/58/05/1372765805.db2.gz HMGKBKJRVRMWIW-SGIREYDYSA-N 0 0 344.342 3.460 10 5 EGBERN Cc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001125278602 1372766013 /nfs/dbraw/zinc/76/60/13/1372766013.db2.gz DWNVOEDRZUIQGF-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN O=C(Cc1nsc2ccccc12)NCCc1ccc([N+](=O)[O-])cc1 ZINC001125310874 1372769238 /nfs/dbraw/zinc/76/92/38/1372769238.db2.gz AOONYEXHZVSRBI-UHFFFAOYSA-N 0 0 341.392 3.106 10 5 EGBERN Nc1c(C(=O)Nc2ccc(Cl)nn2)cc2ccccc2c1[N+](=O)[O-] ZINC001125730415 1372842239 /nfs/dbraw/zinc/84/22/39/1372842239.db2.gz VDCOTUFCTPSJBX-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN Cc1cnccc1/C=C\C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125791148 1372857052 /nfs/dbraw/zinc/85/70/52/1372857052.db2.gz JMAMICKBVFBKMU-UQCOIBPSSA-N 0 0 349.350 3.136 10 5 EGBERN CCc1cnccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001126102496 1372933915 /nfs/dbraw/zinc/93/39/15/1372933915.db2.gz PVQNBLCWSPQFGL-UHFFFAOYSA-N 0 0 339.273 3.245 10 5 EGBERN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001126113518 1372936945 /nfs/dbraw/zinc/93/69/45/1372936945.db2.gz LJXOIDVDDOASFH-WBVHZDCISA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(CC2CCC2)CC(F)(F)F)n1 ZINC001126537557 1372972916 /nfs/dbraw/zinc/97/29/16/1372972916.db2.gz FLPJBQRCLRTNGH-UHFFFAOYSA-N 0 0 331.294 3.103 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2ccnc3ccncc32)cc1[N+](=O)[O-] ZINC001126631690 1372986760 /nfs/dbraw/zinc/98/67/60/1372986760.db2.gz RACZELHPBQPFDC-UHFFFAOYSA-N 0 0 342.742 3.174 10 5 EGBERN O=C(Cc1ccc2cnccc2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126898658 1373048910 /nfs/dbraw/zinc/04/89/10/1373048910.db2.gz YNIRBEPVVWJONT-UHFFFAOYSA-N 0 0 347.374 3.270 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC001127004107 1373067085 /nfs/dbraw/zinc/06/70/85/1373067085.db2.gz QHPNCBAVTHAWGA-UHFFFAOYSA-N 0 0 336.294 3.467 10 5 EGBERN Cc1cc(OC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)ccc1F ZINC001127040532 1373074458 /nfs/dbraw/zinc/07/44/58/1373074458.db2.gz CASOPTRMHHCVTH-UHFFFAOYSA-N 0 0 347.298 3.423 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CCCO1 ZINC001127358750 1373119040 /nfs/dbraw/zinc/11/90/40/1373119040.db2.gz GJWFIYALFMDJDC-QGZVFWFLSA-N 0 0 331.299 3.345 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nsc2ccccc21 ZINC001127487780 1373131044 /nfs/dbraw/zinc/13/10/44/1373131044.db2.gz SMUKLVUYPSDWAP-UHFFFAOYSA-N 0 0 343.364 3.143 10 5 EGBERN CC(C)[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001127598146 1373145784 /nfs/dbraw/zinc/14/57/84/1373145784.db2.gz JSUQFOCZFKWMIK-HNNXBMFYSA-N 0 0 348.399 3.407 10 5 EGBERN C[C@H]1CC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC001127685687 1373162032 /nfs/dbraw/zinc/16/20/32/1373162032.db2.gz BKDXQENOFSNMTB-QWRGUYRKSA-N 0 0 343.383 3.016 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cnc2ccccc2n1 ZINC001127864329 1373191588 /nfs/dbraw/zinc/19/15/88/1373191588.db2.gz AIYKZSIFKPSEAO-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CSc1cc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)co1 ZINC001128002547 1373207987 /nfs/dbraw/zinc/20/79/87/1373207987.db2.gz KSBQVEOXLBRYHJ-UHFFFAOYSA-N 0 0 336.369 3.333 10 5 EGBERN COCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC001128651781 1373300510 /nfs/dbraw/zinc/30/05/10/1373300510.db2.gz ZQBOXLNCCSKKGI-PAYONLEZSA-N 0 0 346.427 3.362 10 5 EGBERN CC(C)Cc1ncc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001128649049 1373301025 /nfs/dbraw/zinc/30/10/25/1373301025.db2.gz BPNOPWCSBYQMTA-HZPDHXFCSA-N 0 0 340.383 3.326 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC001128795125 1373311823 /nfs/dbraw/zinc/31/18/23/1373311823.db2.gz AHDHRWOEVOFUGQ-UHFFFAOYSA-N 0 0 339.351 3.201 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC001129022887 1373336552 /nfs/dbraw/zinc/33/65/52/1373336552.db2.gz NCKYICKBIGZCBW-UHFFFAOYSA-N 0 0 325.324 3.070 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC001129177646 1373357900 /nfs/dbraw/zinc/35/79/00/1373357900.db2.gz FGQQDBSOKGOENB-LBPRGKRZSA-N 0 0 335.360 3.368 10 5 EGBERN Nc1c(C(=O)Nc2ccn3ccnc3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001129479821 1373389188 /nfs/dbraw/zinc/38/91/88/1373389188.db2.gz BKVOEMUOWRJJDP-UHFFFAOYSA-N 0 0 347.334 3.230 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC001129487611 1373389613 /nfs/dbraw/zinc/38/96/13/1373389613.db2.gz WUHQNJJINDJAOI-GXTWGEPZSA-N 0 0 349.387 3.009 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1F ZINC001129580234 1373399052 /nfs/dbraw/zinc/39/90/52/1373399052.db2.gz BELOVMSIGNSBAT-DZGCQCFKSA-N 0 0 332.306 3.088 10 5 EGBERN C[C@@H](C(=O)Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001129594895 1373400915 /nfs/dbraw/zinc/40/09/15/1373400915.db2.gz ZLGAEQYHFRVDHA-SNVBAGLBSA-N 0 0 328.303 3.124 10 5 EGBERN Cc1c(F)c(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001129666518 1373410763 /nfs/dbraw/zinc/41/07/63/1373410763.db2.gz MNNPTBTZPNGMDJ-UHFFFAOYSA-N 0 0 335.310 3.500 10 5 EGBERN Cc1c(F)c(F)ccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001129789814 1373423852 /nfs/dbraw/zinc/42/38/52/1373423852.db2.gz PRRNDKCWQTUEMJ-UHFFFAOYSA-N 0 0 346.293 3.170 10 5 EGBERN CN1Cc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC001129802031 1373425322 /nfs/dbraw/zinc/42/53/22/1373425322.db2.gz WUKINAVUPBUVOJ-UHFFFAOYSA-N 0 0 345.742 3.086 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1COCc2ccccc21 ZINC001129854389 1373429633 /nfs/dbraw/zinc/42/96/33/1373429633.db2.gz QKXKOPNTKPOQIC-MRXNPFEDSA-N 0 0 344.392 3.075 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC2CCC1CC2 ZINC001130063530 1373452020 /nfs/dbraw/zinc/45/20/20/1373452020.db2.gz CJHDLOVKBLRINY-YMAMQOFZSA-N 0 0 332.400 3.306 10 5 EGBERN Cc1nocc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC001130575038 1373563885 /nfs/dbraw/zinc/56/38/85/1373563885.db2.gz GCTQJZFYFKTVCY-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN Cc1c(CC(=O)N2CCOc3cc(F)c(F)cc32)cccc1[N+](=O)[O-] ZINC001130627860 1373571455 /nfs/dbraw/zinc/57/14/55/1373571455.db2.gz OCYCSABWHHAQTM-UHFFFAOYSA-N 0 0 348.305 3.150 10 5 EGBERN CCOc1cc(NC(=O)/C=C/c2scnc2C)ccc1[N+](=O)[O-] ZINC001130798640 1373592987 /nfs/dbraw/zinc/59/29/87/1373592987.db2.gz IRQWDTOQMOYIOF-VOTSOKGWSA-N 0 0 333.369 3.410 10 5 EGBERN CCOc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001130799149 1373593112 /nfs/dbraw/zinc/59/31/12/1373593112.db2.gz VMYQFWKGEKVMLP-UHFFFAOYSA-N 0 0 345.311 3.462 10 5 EGBERN CCCCCCO[C@@H](C)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130849753 1373598511 /nfs/dbraw/zinc/59/85/11/1373598511.db2.gz JGSLHQPJMHIUSY-NSHDSACASA-N 0 0 340.332 3.394 10 5 EGBERN CC(C)(C(=O)Nc1cnc2ccccn12)c1ccc([N+](=O)[O-])cc1F ZINC001130859099 1373598989 /nfs/dbraw/zinc/59/89/89/1373598989.db2.gz MXIQUTOMFWDXTH-UHFFFAOYSA-N 0 0 342.330 3.298 10 5 EGBERN CCOc1cc(NC(=O)c2cccc(SC)n2)ccc1[N+](=O)[O-] ZINC001131000603 1373622725 /nfs/dbraw/zinc/62/27/25/1373622725.db2.gz XEOIHPUOPRWARI-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC001131051990 1373633232 /nfs/dbraw/zinc/63/32/32/1373633232.db2.gz SKZNZQWACDWHMJ-UHFFFAOYSA-N 0 0 328.689 3.437 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cn(C)nc1-c1ccco1 ZINC001131177986 1373657703 /nfs/dbraw/zinc/65/77/03/1373657703.db2.gz WWRCTVLNDHPQOZ-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN CCNc1ccc(C(=O)NC[C@@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC001131678870 1373759350 /nfs/dbraw/zinc/75/93/50/1373759350.db2.gz LFGNLHVTBNUAPD-QGZVFWFLSA-N 0 0 349.431 3.352 10 5 EGBERN Cc1ncoc1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001131732753 1373777446 /nfs/dbraw/zinc/77/74/46/1373777446.db2.gz LCOQWWAGNUMWRG-LLVKDONJSA-N 0 0 330.218 3.352 10 5 EGBERN CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1F ZINC001131740182 1373779813 /nfs/dbraw/zinc/77/98/13/1373779813.db2.gz NXTJOFBHUOVKAT-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@H]1C1CC1 ZINC001225483886 1375115399 /nfs/dbraw/zinc/11/53/99/1375115399.db2.gz KNWYOJUZEZYJFC-WBVHZDCISA-N 0 0 331.416 3.263 10 5 EGBERN Cc1c(C(=O)NCc2noc3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC001132661597 1375502601 /nfs/dbraw/zinc/50/26/01/1375502601.db2.gz BWMSTKZFCKHAAU-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN O=C(NCc1noc2cc(F)ccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001132718197 1375528151 /nfs/dbraw/zinc/52/81/51/1375528151.db2.gz QQIJWHDNLBBLPO-UHFFFAOYSA-N 0 0 349.705 3.459 10 5 EGBERN O=C(NCc1noc2cc(F)ccc12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132718524 1375528523 /nfs/dbraw/zinc/52/85/23/1375528523.db2.gz UCRJXBIJVZLUKX-UHFFFAOYSA-N 0 0 349.705 3.459 10 5 EGBERN Cn1cc(Cl)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001132827607 1375585905 /nfs/dbraw/zinc/58/59/05/1375585905.db2.gz QKVYLINYRVSEJP-UHFFFAOYSA-N 0 0 336.760 3.449 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCSc1ccc(C)cc1 ZINC001132960601 1375675341 /nfs/dbraw/zinc/67/53/41/1375675341.db2.gz ZJQJURXPXCLBAT-UHFFFAOYSA-N 0 0 347.396 3.428 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1C=CCC1 ZINC001133114269 1375783995 /nfs/dbraw/zinc/78/39/95/1375783995.db2.gz ZZXQYAOBCPIJPN-HNNXBMFYSA-N 0 0 332.403 3.237 10 5 EGBERN CCc1ccc(C(=O)NCc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC001133375271 1375954996 /nfs/dbraw/zinc/95/49/96/1375954996.db2.gz KPRMAQOFFSFMAA-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc2ncccc2c1 ZINC001133538466 1376070477 /nfs/dbraw/zinc/07/04/77/1376070477.db2.gz TWOWYCKHGJVSEK-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN COc1ccc(C(=O)N(C)Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC001134241301 1376428806 /nfs/dbraw/zinc/42/88/06/1376428806.db2.gz LMENJTHVGCSQKB-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN COC(=O)c1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001134554241 1376590548 /nfs/dbraw/zinc/59/05/48/1376590548.db2.gz HRPGJXMAPBTPTL-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2(C)C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001134573119 1376603263 /nfs/dbraw/zinc/60/32/63/1376603263.db2.gz IEHAREDNNYRVQT-UHFFFAOYSA-N 0 0 335.360 3.366 10 5 EGBERN COC(=O)c1ccc(OC[C@@H]2CC3(CO2)CCCCC3)cc1[N+](=O)[O-] ZINC001189092666 1388456830 /nfs/dbraw/zinc/45/68/30/1388456830.db2.gz FIZVLKWQAYYNLA-AWEZNQCLSA-N 0 0 349.383 3.500 10 5 EGBERN COc1nn(C)cc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC001134949334 1376806919 /nfs/dbraw/zinc/80/69/19/1376806919.db2.gz DBOQRUQJXRCBMD-UHFFFAOYSA-N 0 0 346.390 3.060 10 5 EGBERN CCc1ccc2c(c1)CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001135013512 1376845573 /nfs/dbraw/zinc/84/55/73/1376845573.db2.gz ZNOWHUUJTZXNBV-UHFFFAOYSA-N 0 0 344.342 3.264 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001135139755 1376928822 /nfs/dbraw/zinc/92/88/22/1376928822.db2.gz LMBYGFBGQKGTDV-LLVKDONJSA-N 0 0 331.347 3.291 10 5 EGBERN Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)cc([N+](=O)[O-])c1 ZINC001135145306 1376933422 /nfs/dbraw/zinc/93/34/22/1376933422.db2.gz OSEZXGRMCHSNMW-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CC(=O)N[C@](C)(C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(C)C ZINC001135226469 1376987709 /nfs/dbraw/zinc/98/77/09/1376987709.db2.gz PSOBWJHUACBXDZ-SFHVURJKSA-N 0 0 343.383 3.237 10 5 EGBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc2ncccc12 ZINC001189183261 1388477110 /nfs/dbraw/zinc/47/71/10/1388477110.db2.gz PTIAJLPFBWVTDS-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN O=C(NCCCC1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001135388960 1377069326 /nfs/dbraw/zinc/06/93/26/1377069326.db2.gz PWIYJZHIIKHCFG-UHFFFAOYSA-N 0 0 334.401 3.300 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001135601812 1377159506 /nfs/dbraw/zinc/15/95/06/1377159506.db2.gz QHZHPVSGOJIAHN-UHFFFAOYSA-N 0 0 348.746 3.041 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)cc1 ZINC001135661033 1377178220 /nfs/dbraw/zinc/17/82/20/1377178220.db2.gz NROKUIYDHQKBRI-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnc(-c3ccccc3)n2)n1 ZINC001266165174 1377213640 /nfs/dbraw/zinc/21/36/40/1377213640.db2.gz IKEYFYXNWFIYMA-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csc(=O)[nH]1 ZINC001266631268 1377352843 /nfs/dbraw/zinc/35/28/43/1377352843.db2.gz QBOODRAFYIXVAU-UHFFFAOYSA-N 0 0 333.247 3.028 10 5 EGBERN CCCCC[C@@H](O)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840055 1377428970 /nfs/dbraw/zinc/42/89/70/1377428970.db2.gz BGOJTUUYSSRPCM-ZBFHGGJFSA-N 0 0 338.429 3.110 10 5 EGBERN CSCC[C@@H](C)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001136866161 1377432638 /nfs/dbraw/zinc/43/26/38/1377432638.db2.gz GDTIAVCDQFGJGM-SNVBAGLBSA-N 0 0 330.837 3.391 10 5 EGBERN CC(C)COC1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001137048180 1377467810 /nfs/dbraw/zinc/46/78/10/1377467810.db2.gz GRCATUSXZMPZSV-UHFFFAOYSA-N 0 0 346.305 3.111 10 5 EGBERN Cc1cnc([C@@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001137223735 1377499302 /nfs/dbraw/zinc/49/93/02/1377499302.db2.gz KTYLHXBCOPEYMT-SECBINFHSA-N 0 0 339.804 3.433 10 5 EGBERN CC(C)(NC(=O)c1nc2cnccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC001137234662 1377501838 /nfs/dbraw/zinc/50/18/38/1377501838.db2.gz PINLBDKKUPKCTA-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN Cc1cnccc1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001137351826 1377531054 /nfs/dbraw/zinc/53/10/54/1377531054.db2.gz JNAUPTYAHIKKFE-UHFFFAOYSA-N 0 0 325.368 3.032 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001137630404 1377576136 /nfs/dbraw/zinc/57/61/36/1377576136.db2.gz XOMGBMYYQBHIHC-HUUCEWRRSA-N 0 0 349.350 3.122 10 5 EGBERN Nc1ccc(F)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137957218 1377653563 /nfs/dbraw/zinc/65/35/63/1377653563.db2.gz QTZSPRWJVKPXPB-UHFFFAOYSA-N 0 0 329.331 3.121 10 5 EGBERN Cc1c(CNC(=O)Cc2ccc(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001138239029 1377693219 /nfs/dbraw/zinc/69/32/19/1377693219.db2.gz ODBFIVCPSLAZKK-UHFFFAOYSA-N 0 0 334.759 3.121 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccncc2C(F)(F)F)c1 ZINC001139470675 1377890587 /nfs/dbraw/zinc/89/05/87/1377890587.db2.gz CYGKWDKSTVHPHB-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN Cc1ncsc1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001141100433 1378240269 /nfs/dbraw/zinc/24/02/69/1378240269.db2.gz BMCUORAZJYXLTN-UHFFFAOYSA-N 0 0 331.353 3.078 10 5 EGBERN O=C(NCc1ccc2[nH]cnc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001141230235 1378277906 /nfs/dbraw/zinc/27/79/06/1378277906.db2.gz YUSRSAJDHUPJMY-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCSC1 ZINC001141624607 1378353275 /nfs/dbraw/zinc/35/32/75/1378353275.db2.gz ZVWXFZUIBPLCLL-NSHDSACASA-N 0 0 328.821 3.050 10 5 EGBERN Cc1oc2ccccc2c1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141767459 1378372985 /nfs/dbraw/zinc/37/29/85/1378372985.db2.gz LANSJVYYDAOMEX-UHFFFAOYSA-N 0 0 325.324 3.413 10 5 EGBERN Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)CC2 ZINC001142465962 1378445309 /nfs/dbraw/zinc/44/53/09/1378445309.db2.gz YWPFEIIZEZKAAV-UHFFFAOYSA-N 0 0 348.362 3.496 10 5 EGBERN CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](CC)O1 ZINC001142608292 1378464208 /nfs/dbraw/zinc/46/42/08/1378464208.db2.gz KIILFLMCWONUEZ-CALCHBBNSA-N 0 0 346.427 3.433 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Cl ZINC001143093646 1378538874 /nfs/dbraw/zinc/53/88/74/1378538874.db2.gz ZNILUTIRXPDERB-UHFFFAOYSA-N 0 0 335.747 3.307 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]1c1ccc(F)cc1 ZINC001146529767 1378861182 /nfs/dbraw/zinc/86/11/82/1378861182.db2.gz IPIBOTBWSMMONZ-ZDUSSCGKSA-N 0 0 344.298 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)n2)c1C ZINC001146545395 1378864470 /nfs/dbraw/zinc/86/44/70/1378864470.db2.gz VDYUUKYEMHBYTF-UHFFFAOYSA-N 0 0 338.367 3.098 10 5 EGBERN CC(C)Nc1cc(F)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147352788 1379008477 /nfs/dbraw/zinc/00/84/77/1379008477.db2.gz QTWBHAYAYJVFCG-UHFFFAOYSA-N 0 0 341.730 3.183 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001151125024 1379664238 /nfs/dbraw/zinc/66/42/38/1379664238.db2.gz LOBPONOHZFVVDM-CXMBCZLWSA-N 0 0 342.399 3.251 10 5 EGBERN O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001151307472 1379697646 /nfs/dbraw/zinc/69/76/46/1379697646.db2.gz HMWGUMFPQANCIT-JKSUJKDBSA-N 0 0 346.770 3.085 10 5 EGBERN O=C(NCCCNc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC001152300769 1379902437 /nfs/dbraw/zinc/90/24/37/1379902437.db2.gz CLJQLUDSZZWARV-UHFFFAOYSA-N 0 0 335.310 3.105 10 5 EGBERN Cc1c(CNC(=O)c2ncc3ccccc3c2O)cccc1[N+](=O)[O-] ZINC001154301543 1380250963 /nfs/dbraw/zinc/25/09/63/1380250963.db2.gz PARUOESJIIUSPS-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC001154400529 1380270091 /nfs/dbraw/zinc/27/00/91/1380270091.db2.gz OOXNUOKVJIOJMP-UHFFFAOYSA-N 0 0 344.298 3.146 10 5 EGBERN Cc1cc(C)c(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1CO ZINC001154470097 1380283978 /nfs/dbraw/zinc/28/39/78/1380283978.db2.gz BAEVZUVMJNRLLN-UHFFFAOYSA-N 0 0 332.331 3.024 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH]c(=O)c2ccccc12 ZINC001155734085 1380487975 /nfs/dbraw/zinc/48/79/75/1380487975.db2.gz OCPRZHJFUUJXGR-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cn1nc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1C(F)(F)F ZINC001157067219 1380767950 /nfs/dbraw/zinc/76/79/50/1380767950.db2.gz QPQZYVURHPLTTQ-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231753 1381168206 /nfs/dbraw/zinc/16/82/06/1381168206.db2.gz IRMQNHQPKKCSNE-KCPJHIHWSA-N 0 0 325.368 3.474 10 5 EGBERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001158724620 1381368733 /nfs/dbraw/zinc/36/87/33/1381368733.db2.gz XVXHMIBDWQZAIL-LLVKDONJSA-N 0 0 336.351 3.216 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc2[nH]ccc21 ZINC001288188738 1381663917 /nfs/dbraw/zinc/66/39/17/1381663917.db2.gz YYALGSMTDPUUNI-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN O=C(Nc1nc2c(o1)CCCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001159183494 1381723102 /nfs/dbraw/zinc/72/31/02/1381723102.db2.gz IWAQIZBQASKFIS-UHFFFAOYSA-N 0 0 338.323 3.262 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)Cc1ccccc1C ZINC001288215979 1381730857 /nfs/dbraw/zinc/73/08/57/1381730857.db2.gz LHJWOLAUCHFEMY-LBPRGKRZSA-N 0 0 329.356 3.124 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001288749435 1381924298 /nfs/dbraw/zinc/92/42/98/1381924298.db2.gz VTHOMDSUWYKHSF-SNVBAGLBSA-N 0 0 345.311 3.003 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC001288796885 1381941195 /nfs/dbraw/zinc/94/11/95/1381941195.db2.gz YMLAQKFUSDQQCP-QMMMGPOBSA-N 0 0 338.772 3.370 10 5 EGBERN O=C(Nc1cc(Br)c2ccccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001288960763 1381967674 /nfs/dbraw/zinc/96/76/74/1381967674.db2.gz ZTILDKVBYUBZPR-DGCLKSJQSA-N 0 0 335.157 3.206 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@]2(=O)CCc3ccccc32)c1 ZINC001289028463 1381974584 /nfs/dbraw/zinc/97/45/84/1381974584.db2.gz GRWMBSXIJFJEAY-QHCPKHFHSA-N 0 0 330.365 3.127 10 5 EGBERN NC(=O)c1cc(NC(=O)/C=C/C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001289257620 1381989683 /nfs/dbraw/zinc/98/96/83/1381989683.db2.gz CNFMYZZSQBNLTC-JXMROGBWSA-N 0 0 331.372 3.159 10 5 EGBERN Cc1ccc([S@](C)(=O)=NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001289351137 1381993983 /nfs/dbraw/zinc/99/39/83/1381993983.db2.gz ZCCPVEBNYWZZCG-QHCPKHFHSA-N 0 0 332.381 3.129 10 5 EGBERN COc1cccc2c1CC[C@H]2OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001289927947 1382023506 /nfs/dbraw/zinc/02/35/06/1382023506.db2.gz RAHLNGMNYCMVST-QGZVFWFLSA-N 0 0 327.336 3.377 10 5 EGBERN O=C(NCc1ccc(Cl)cc1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001289987684 1382037931 /nfs/dbraw/zinc/03/79/31/1382037931.db2.gz CTTWITWXFBZWOV-UHFFFAOYSA-N 0 0 349.561 3.208 10 5 EGBERN Cc1csc(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n1 ZINC001290586290 1382098006 /nfs/dbraw/zinc/09/80/06/1382098006.db2.gz UGZNPGZPAJJRGG-UHFFFAOYSA-N 0 0 342.380 3.025 10 5 EGBERN Nc1ccc(NC(=O)Cc2nc(C3CCCC3)cs2)cc1[N+](=O)[O-] ZINC001160702533 1382174683 /nfs/dbraw/zinc/17/46/83/1382174683.db2.gz KZOZAPWFSAOMDJ-UHFFFAOYSA-N 0 0 346.412 3.472 10 5 EGBERN CCOc1cccc(/C=C\C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001160704087 1382174912 /nfs/dbraw/zinc/17/49/12/1382174912.db2.gz ZADNMLDPXGEFRP-TWGQIWQCSA-N 0 0 327.340 3.228 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC001160879336 1382223018 /nfs/dbraw/zinc/22/30/18/1382223018.db2.gz AWJYPLRTDVEOBF-UHFFFAOYSA-N 0 0 347.415 3.131 10 5 EGBERN Cc1ccc(F)c(-c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n[nH]2)c1 ZINC001160897177 1382227452 /nfs/dbraw/zinc/22/74/52/1382227452.db2.gz VJQFWLYKNZIFFM-UHFFFAOYSA-N 0 0 330.275 3.278 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cc(Cl)ccn1 ZINC001161099172 1382295798 /nfs/dbraw/zinc/29/57/98/1382295798.db2.gz NUYFUSAUTAIHSB-UHFFFAOYSA-N 0 0 337.738 3.031 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC001293783178 1382357806 /nfs/dbraw/zinc/35/78/06/1382357806.db2.gz MHYCEXHGSMHKRJ-LLVKDONJSA-N 0 0 349.799 3.407 10 5 EGBERN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001295098559 1382536350 /nfs/dbraw/zinc/53/63/50/1382536350.db2.gz MOKUNISUPGBDJV-UHFFFAOYSA-N 0 0 328.372 3.208 10 5 EGBERN Nc1c(C(=O)Nc2cccc(O)c2F)cc2ccccc2c1[N+](=O)[O-] ZINC001295128446 1382546390 /nfs/dbraw/zinc/54/63/90/1382546390.db2.gz SMNGXRBSLPRNSG-UHFFFAOYSA-N 0 0 341.298 3.427 10 5 EGBERN COC(=O)c1ccnc(Sc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001162015581 1382601711 /nfs/dbraw/zinc/60/17/11/1382601711.db2.gz KJASCNARWIRWDQ-UHFFFAOYSA-N 0 0 326.280 3.206 10 5 EGBERN CCN(CCNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccccc1C ZINC001162170195 1382647318 /nfs/dbraw/zinc/64/73/18/1382647318.db2.gz GFRZISVMGRUBAJ-UHFFFAOYSA-N 0 0 347.390 3.473 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOc2ccccc2C)c1 ZINC001162225552 1382660621 /nfs/dbraw/zinc/66/06/21/1382660621.db2.gz CGQRFRLTTWMDGH-UHFFFAOYSA-N 0 0 330.340 3.181 10 5 EGBERN CCC[C@@H](CCO)CNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001162631747 1382816396 /nfs/dbraw/zinc/81/63/96/1382816396.db2.gz RLOHHFCAOJZUKL-ZDUSSCGKSA-N 0 0 338.404 3.291 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](OC)C1(C)C ZINC001162686105 1382833013 /nfs/dbraw/zinc/83/30/13/1382833013.db2.gz NFLLXGXBZXSUTK-NWDGAFQWSA-N 0 0 342.779 3.260 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](OC)C1(C)C ZINC001162686107 1382833440 /nfs/dbraw/zinc/83/34/40/1382833440.db2.gz NFLLXGXBZXSUTK-VXGBXAGGSA-N 0 0 342.779 3.260 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1nsc2ccccc21 ZINC001295987858 1382891673 /nfs/dbraw/zinc/89/16/73/1382891673.db2.gz DAXCOMJEHIHGSS-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001162892193 1382906792 /nfs/dbraw/zinc/90/67/92/1382906792.db2.gz OKICGMXWRZVLQI-LSDHHAIUSA-N 0 0 336.388 3.387 10 5 EGBERN CC(C)Oc1nc(N2CCc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC001162972762 1382933697 /nfs/dbraw/zinc/93/36/97/1382933697.db2.gz NIAYXQGGJZSSKN-UHFFFAOYSA-N 0 0 331.347 3.479 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2sc(Cl)cc2C1 ZINC001163162248 1382980509 /nfs/dbraw/zinc/98/05/09/1382980509.db2.gz FICCLZFPULICHG-UHFFFAOYSA-N 0 0 337.788 3.090 10 5 EGBERN O=[N+]([O-])c1ncccc1NCc1c(Cl)cccc1-n1ccnc1 ZINC001163372115 1383035814 /nfs/dbraw/zinc/03/58/14/1383035814.db2.gz DPEWHAKMECJIPN-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](CO)C1CCCCC1 ZINC001163403861 1383043985 /nfs/dbraw/zinc/04/39/85/1383043985.db2.gz OBMKLFVJXVACFZ-AWEZNQCLSA-N 0 0 329.400 3.166 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3cnn(C(C)C)c3)c2c1 ZINC001163617896 1383090646 /nfs/dbraw/zinc/09/06/46/1383090646.db2.gz LTQFYZRFVXFIGE-UHFFFAOYSA-N 0 0 327.344 3.095 10 5 EGBERN COC(=O)c1coc(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001163642258 1383094252 /nfs/dbraw/zinc/09/42/52/1383094252.db2.gz DLEBAQMHESSQFA-UHFFFAOYSA-N 0 0 345.233 3.000 10 5 EGBERN CSc1ccc([C@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001297070622 1383113215 /nfs/dbraw/zinc/11/32/15/1383113215.db2.gz HZNJTFAMZCYATE-ZETCQYMHSA-N 0 0 340.792 3.184 10 5 EGBERN O=C1Nc2ccc(Nc3nc4ccccn4c3[N+](=O)[O-])cc2CO1 ZINC001163729277 1383115440 /nfs/dbraw/zinc/11/54/40/1383115440.db2.gz SRHSHUDQSHLQPJ-UHFFFAOYSA-N 0 0 325.284 3.048 10 5 EGBERN O=[N+]([O-])c1c(NCCc2ccc3ncccc3c2)nc2ccccn21 ZINC001164131317 1383159210 /nfs/dbraw/zinc/15/92/10/1383159210.db2.gz PZGZZTYRGDJAPR-UHFFFAOYSA-N 0 0 333.351 3.445 10 5 EGBERN CCN(C(=O)CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001164152193 1383161005 /nfs/dbraw/zinc/16/10/05/1383161005.db2.gz OSAGKZNJRBOAEH-UHFFFAOYSA-N 0 0 334.763 3.108 10 5 EGBERN C[C@H](CC(N)=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001164248531 1383171116 /nfs/dbraw/zinc/17/11/16/1383171116.db2.gz CNYIXXQNXTWETD-SECBINFHSA-N 0 0 345.384 3.027 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCn3nc(C(F)(F)F)cc3C2)c(Cl)c1 ZINC001164276583 1383173918 /nfs/dbraw/zinc/17/39/18/1383173918.db2.gz WQJHJAHMEGWTSM-UHFFFAOYSA-N 0 0 346.696 3.484 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1nccs1 ZINC001165952587 1383369795 /nfs/dbraw/zinc/36/97/95/1383369795.db2.gz NPNXGEILWFRYTO-ZETCQYMHSA-N 0 0 327.362 3.310 10 5 EGBERN Cc1cc(OCCNC(=O)OC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC001166155498 1383395596 /nfs/dbraw/zinc/39/55/96/1383395596.db2.gz OSSRPNNJPBCUKC-UHFFFAOYSA-N 0 0 330.768 3.460 10 5 EGBERN CCCCc1ccc(C(=O)CSc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001166211774 1383402630 /nfs/dbraw/zinc/40/26/30/1383402630.db2.gz KNWXNGOGDCUGRX-UHFFFAOYSA-N 0 0 346.412 3.285 10 5 EGBERN Cc1ncc([N+](=O)[O-])c(OCc2nc(-c3cccs3)no2)c1C ZINC001166314764 1383411035 /nfs/dbraw/zinc/41/10/35/1383411035.db2.gz WZLYXHYWVAKLEV-UHFFFAOYSA-N 0 0 332.341 3.297 10 5 EGBERN O=C(CSCC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC001166433767 1383422014 /nfs/dbraw/zinc/42/20/14/1383422014.db2.gz IRXROBIRZLSUAQ-UHFFFAOYSA-N 0 0 330.365 3.149 10 5 EGBERN COc1ccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1O ZINC001298808807 1383432465 /nfs/dbraw/zinc/43/24/65/1383432465.db2.gz BARDBBBFSVYJMD-UHFFFAOYSA-N 0 0 330.340 3.107 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1Cl ZINC001299458546 1383533141 /nfs/dbraw/zinc/53/31/41/1383533141.db2.gz ZDVQFUYSRRYSRO-UHFFFAOYSA-N 0 0 349.774 3.111 10 5 EGBERN Nc1cc(F)ccc1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397155 1383622820 /nfs/dbraw/zinc/62/28/20/1383622820.db2.gz LBUFHAJSIVTOBA-UHFFFAOYSA-N 0 0 329.331 3.299 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC001299947669 1383636789 /nfs/dbraw/zinc/63/67/89/1383636789.db2.gz KLDVOEIOEBUOFU-CYBMUJFWSA-N 0 0 330.344 3.039 10 5 EGBERN Cc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3F)[nH]n2)o1 ZINC001299948573 1383637392 /nfs/dbraw/zinc/63/73/92/1383637392.db2.gz YOTZSFVKHROQEE-UHFFFAOYSA-N 0 0 330.275 3.278 10 5 EGBERN C[C@@H]1CC(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001300540064 1383669703 /nfs/dbraw/zinc/66/97/03/1383669703.db2.gz IUGKDGVUONNNEJ-UWVGGRQHSA-N 0 0 348.428 3.402 10 5 EGBERN Cc1cn2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2n1 ZINC001301354395 1383710649 /nfs/dbraw/zinc/71/06/49/1383710649.db2.gz NWLRLTPCFJTBQA-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN C[C@@H](NC(=O)CCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001303498051 1383801298 /nfs/dbraw/zinc/80/12/98/1383801298.db2.gz LNGWNHFOZAECPT-GFCCVEGCSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@]1(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC=CCC1 ZINC001303529136 1383803123 /nfs/dbraw/zinc/80/31/23/1383803123.db2.gz KTXVIQDEJIXBOM-SFHVURJKSA-N 0 0 342.399 3.266 10 5 EGBERN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F ZINC001168083511 1383813331 /nfs/dbraw/zinc/81/33/31/1383813331.db2.gz AKDIYXZCARXZSU-UHFFFAOYSA-N 0 0 337.738 3.462 10 5 EGBERN CC[C@H]1CCCc2sc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)nc21 ZINC001304462102 1383847120 /nfs/dbraw/zinc/84/71/20/1383847120.db2.gz XLKYGEORFSTXIF-QMMMGPOBSA-N 0 0 347.400 3.111 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1n[nH]cc1-c1ccccc1 ZINC001304747085 1383853774 /nfs/dbraw/zinc/85/37/74/1383853774.db2.gz SWCRPHDVIRDKCB-UHFFFAOYSA-N 0 0 338.323 3.002 10 5 EGBERN Cc1ccc2cnccc2c1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001306105618 1383875053 /nfs/dbraw/zinc/87/50/53/1383875053.db2.gz NYOIAODHKXCDHF-KRWDZBQOSA-N 0 0 337.335 3.124 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)c2ccccc2)c1 ZINC001306931683 1383922308 /nfs/dbraw/zinc/92/23/08/1383922308.db2.gz YXSNMNOVHSBNSB-ZDUSSCGKSA-N 0 0 343.383 3.318 10 5 EGBERN CCOC(=O)C[C@@H](C)Sc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001306969879 1383928049 /nfs/dbraw/zinc/92/80/49/1383928049.db2.gz IDUCDPNCXBENRI-SECBINFHSA-N 0 0 329.374 3.046 10 5 EGBERN Cc1cc2nc(Cl)cc(N3Cc4ccc([N+](=O)[O-])cc4C3)n2n1 ZINC001306984119 1383929891 /nfs/dbraw/zinc/92/98/91/1383929891.db2.gz NFSJCXBPYVQQCQ-UHFFFAOYSA-N 0 0 329.747 3.120 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NC[C@H](c1nnc[nH]1)c1ccccc1 ZINC001307116250 1383942344 /nfs/dbraw/zinc/94/23/44/1383942344.db2.gz HVDNBHNAXGAAPI-LBPRGKRZSA-N 0 0 327.319 3.096 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC001307129722 1383942959 /nfs/dbraw/zinc/94/29/59/1383942959.db2.gz FMJXVYVDRXZKEM-LBPRGKRZSA-N 0 0 329.331 3.260 10 5 EGBERN Cc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc(=O)[nH]1 ZINC001307145853 1383944955 /nfs/dbraw/zinc/94/49/55/1383944955.db2.gz PGDNCVNFPVDONT-UHFFFAOYSA-N 0 0 325.271 3.217 10 5 EGBERN C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001307150584 1383946123 /nfs/dbraw/zinc/94/61/23/1383946123.db2.gz MCHYQWWFHWXHRZ-WDEREUQCSA-N 0 0 326.418 3.460 10 5 EGBERN COc1cc(CCNc2cc(OC)c([N+](=O)[O-])cc2Cl)ccn1 ZINC001307183513 1383952226 /nfs/dbraw/zinc/95/22/26/1383952226.db2.gz UVYIFKBYFFJACB-UHFFFAOYSA-N 0 0 337.763 3.315 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2ccc3cccnc3c2)cc1F ZINC001307186145 1383952438 /nfs/dbraw/zinc/95/24/38/1383952438.db2.gz WRFHBVGVOYOYEH-UHFFFAOYSA-N 0 0 327.315 3.387 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@]1(c2ccccc2)CCCO1 ZINC001307215976 1383958699 /nfs/dbraw/zinc/95/86/99/1383958699.db2.gz GUQTYUUELLJOPZ-INIZCTEOSA-N 0 0 333.775 3.183 10 5 EGBERN CCOc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001307225354 1383960458 /nfs/dbraw/zinc/96/04/58/1383960458.db2.gz YXVACDWNOCIJQF-UHFFFAOYSA-N 0 0 342.399 3.469 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H]2CCC[C@]3(CCOC3)O2)c(Cl)c1 ZINC001307258205 1383964720 /nfs/dbraw/zinc/96/47/20/1383964720.db2.gz ZVQIDPZTSHSUQG-IUODEOHRSA-N 0 0 327.764 3.355 10 5 EGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1cccnc1C(F)(F)F ZINC001307256902 1383964827 /nfs/dbraw/zinc/96/48/27/1383964827.db2.gz ZPIRLIRNWMLHDM-UHFFFAOYSA-N 0 0 326.230 3.400 10 5 EGBERN Cc1ccnc(-c2noc(COc3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001307291547 1383967456 /nfs/dbraw/zinc/96/74/56/1383967456.db2.gz SZJNXIAAPSXWKP-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN CC(C)(C)n1nnc(COc2cc(Cl)c([N+](=O)[O-])cc2Cl)n1 ZINC001307400360 1383982937 /nfs/dbraw/zinc/98/29/37/1383982937.db2.gz WQJRDXVKWXEZMH-UHFFFAOYSA-N 0 0 346.174 3.222 10 5 EGBERN Cc1cc(CSCc2nc(-c3cccc([N+](=O)[O-])c3)no2)no1 ZINC001307407062 1383984996 /nfs/dbraw/zinc/98/49/96/1383984996.db2.gz TXVDFPUFCYXBOE-UHFFFAOYSA-N 0 0 332.341 3.375 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457166 1383994728 /nfs/dbraw/zinc/99/47/28/1383994728.db2.gz CCVOUGVUYPYPKL-GHMZBOCLSA-N 0 0 325.796 3.450 10 5 EGBERN O=[N+]([O-])c1ncccc1CN[C@H](CO)c1cccc(Cl)c1Cl ZINC001307944355 1384061001 /nfs/dbraw/zinc/06/10/01/1384061001.db2.gz QTNAHAZXKCXPQU-GFCCVEGCSA-N 0 0 342.182 3.120 10 5 EGBERN C[C@@H](c1ccccn1)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168958103 1384070576 /nfs/dbraw/zinc/07/05/76/1384070576.db2.gz MHEXYPLAZDCCGE-LBPRGKRZSA-N 0 0 339.355 3.233 10 5 EGBERN CNC(=O)c1cccc(N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001308094138 1384091890 /nfs/dbraw/zinc/09/18/90/1384091890.db2.gz CLCOSMVSOOTKMT-UHFFFAOYSA-N 0 0 333.775 3.244 10 5 EGBERN COc1cc(CN2C[C@@H](F)C[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC001308166439 1384104129 /nfs/dbraw/zinc/10/41/29/1384104129.db2.gz LJMZNZKTRPVUPD-UFBFGSQYSA-N 0 0 340.248 3.217 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCc3cc(F)cc(F)c3C2)c([N+](=O)[O-])c1 ZINC001308172924 1384105566 /nfs/dbraw/zinc/10/55/66/1384105566.db2.gz HOMVYCRXAJIRTG-UHFFFAOYSA-N 0 0 349.293 3.340 10 5 EGBERN C=Cc1ccc(S(=O)(=O)Oc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001309427794 1384181543 /nfs/dbraw/zinc/18/15/43/1384181543.db2.gz RJTVIAOBIRFPEX-UHFFFAOYSA-N 0 0 337.328 3.453 10 5 EGBERN C[C@@](CO)(NC(=O)CCCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001171453585 1384527702 /nfs/dbraw/zinc/52/77/02/1384527702.db2.gz UZWPYTOTJDZUOB-SFHVURJKSA-N 0 0 334.416 3.279 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cc1[N+](=O)[O-] ZINC001171891322 1384672317 /nfs/dbraw/zinc/67/23/17/1384672317.db2.gz QPVMQHWFQJLQCD-CYBMUJFWSA-N 0 0 338.367 3.130 10 5 EGBERN C[C@@H]1CCC[C@@H](C2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001174820263 1385155135 /nfs/dbraw/zinc/15/51/35/1385155135.db2.gz KEOXADPNVCKZTB-VXGBXAGGSA-N 0 0 342.399 3.369 10 5 EGBERN Cc1cccc(F)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001319070597 1385952558 /nfs/dbraw/zinc/95/25/58/1385952558.db2.gz KWJCGCBABFQYSO-LLVKDONJSA-N 0 0 346.314 3.226 10 5 EGBERN O=C(Nc1c[nH]nc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001177795834 1386048455 /nfs/dbraw/zinc/04/84/55/1386048455.db2.gz PYALRIXWBFQPJU-VHSXEESVSA-N 0 0 340.261 3.079 10 5 EGBERN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001178521939 1386240752 /nfs/dbraw/zinc/24/07/52/1386240752.db2.gz HXGPWGTUAVQMRD-PWSUYJOCSA-N 0 0 348.790 3.380 10 5 EGBERN CSc1cccc(C(=O)Nc2ccc3ncn(C)c3c2)c1[N+](=O)[O-] ZINC001178831738 1386321055 /nfs/dbraw/zinc/32/10/55/1386321055.db2.gz GDMKSCGDIOINEH-UHFFFAOYSA-N 0 0 342.380 3.456 10 5 EGBERN CN(CC(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001179503846 1386500708 /nfs/dbraw/zinc/50/07/08/1386500708.db2.gz OIRZVKKVVOMRIS-YJBOKZPZSA-N 0 0 343.427 3.068 10 5 EGBERN COc1ccc(CCc2nnc(-c3cc([N+](=O)[O-])cnc3C)o2)cc1 ZINC001322256288 1387122812 /nfs/dbraw/zinc/12/28/12/1387122812.db2.gz IRJZMSCPGHRWCP-UHFFFAOYSA-N 0 0 340.339 3.142 10 5 EGBERN COc1ccc(-c2nnc(-c3cc(F)ccc3[N+](=O)[O-])o2)c(OC)c1 ZINC001322515766 1387199218 /nfs/dbraw/zinc/19/92/18/1387199218.db2.gz OFFDCQUJRZWXBH-UHFFFAOYSA-N 0 0 345.286 3.468 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)CC1(C(F)(F)F)CC1 ZINC001322881940 1387250861 /nfs/dbraw/zinc/25/08/61/1387250861.db2.gz ZAPCCALCWUJMAV-UHFFFAOYSA-N 0 0 333.262 3.379 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC001329237377 1389030322 /nfs/dbraw/zinc/03/03/22/1389030322.db2.gz WENBSWJITJZDKK-UHFFFAOYSA-N 0 0 340.339 3.297 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329644386 1389196295 /nfs/dbraw/zinc/19/62/95/1389196295.db2.gz XCERMGIJKCHRFP-DVVUODLYSA-N 0 0 326.299 3.223 10 5 EGBERN CS[C@H]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001329773160 1389223757 /nfs/dbraw/zinc/22/37/57/1389223757.db2.gz KRYCSIUCSAFPFP-PWSUYJOCSA-N 0 0 333.413 3.432 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001331674716 1389853368 /nfs/dbraw/zinc/85/33/68/1389853368.db2.gz SFRMJZXAAUYEAI-RDTXWAMCSA-N 0 0 340.379 3.389 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC001332613555 1390140889 /nfs/dbraw/zinc/14/08/89/1390140889.db2.gz JYMBYORPUJQELP-UHFFFAOYSA-N 0 0 328.649 3.458 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC001332913377 1390215446 /nfs/dbraw/zinc/21/54/46/1390215446.db2.gz SBUNPFKTDZGEAD-DGCLKSJQSA-N 0 0 337.445 3.413 10 5 EGBERN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC001340873032 1390391082 /nfs/dbraw/zinc/39/10/82/1390391082.db2.gz VNEQQEXJSQIYJB-UHOFOFEASA-N 0 0 325.368 3.013 10 5 EGBERN CCOc1cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC001335109377 1390643001 /nfs/dbraw/zinc/64/30/01/1390643001.db2.gz MZZYHSNNDFSZKR-SGMGOOAPSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2CCOC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001344774706 1390813957 /nfs/dbraw/zinc/81/39/57/1390813957.db2.gz YCRADSJEXKNXDP-SECBINFHSA-N 0 0 347.293 3.080 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001344853326 1390819402 /nfs/dbraw/zinc/81/94/02/1390819402.db2.gz HGYYYFDUNURDDX-SMDDNHRTSA-N 0 0 329.356 3.295 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CCO[C@@H](CCF)C1 ZINC001344854809 1390819678 /nfs/dbraw/zinc/81/96/78/1390819678.db2.gz QZFUWRFLERHZKJ-LBPRGKRZSA-N 0 0 347.346 3.340 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC001345108586 1390838181 /nfs/dbraw/zinc/83/81/81/1390838181.db2.gz VGQZJUMWUWVXFP-OAHLLOKOSA-N 0 0 333.388 3.374 10 5 EGBERN CC1(C)C[C@@H](O)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345939238 1390895301 /nfs/dbraw/zinc/89/53/01/1390895301.db2.gz NEYRPMNYCKYWRP-GFCCVEGCSA-N 0 0 343.383 3.373 10 5 EGBERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC001345954233 1390897075 /nfs/dbraw/zinc/89/70/75/1390897075.db2.gz ROMPURXUORZWCA-BMIGLBTASA-N 0 0 343.330 3.180 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC001346196310 1390914505 /nfs/dbraw/zinc/91/45/05/1390914505.db2.gz CZBZUGGSBFCVGC-AWEZNQCLSA-N 0 0 334.397 3.260 10 5 EGBERN O=C(C[C@H]1CCCC1(F)F)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001346708009 1390972454 /nfs/dbraw/zinc/97/24/54/1390972454.db2.gz XWAQLBGHVULDGM-SECBINFHSA-N 0 0 343.282 3.097 10 5 EGBERN Cc1cc(O)ccc1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001347621119 1391101342 /nfs/dbraw/zinc/10/13/42/1391101342.db2.gz QTXAMCOMDQMUAF-UHFFFAOYSA-N 0 0 328.368 3.203 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1([C@@H]2CCCO2)CCC1 ZINC001347727625 1391116236 /nfs/dbraw/zinc/11/62/36/1391116236.db2.gz PBODEOJQGMUBQG-LBPRGKRZSA-N 0 0 339.779 3.471 10 5 EGBERN CCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC001348002260 1391158368 /nfs/dbraw/zinc/15/83/68/1391158368.db2.gz BHNIJGOOKZVHPM-UHFFFAOYSA-N 0 0 338.364 3.489 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001348030642 1391162473 /nfs/dbraw/zinc/16/24/73/1391162473.db2.gz RZDIGKLFZVGNIE-IEBDPFPHSA-N 0 0 326.299 3.223 10 5 EGBERN COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001348138195 1391177825 /nfs/dbraw/zinc/17/78/25/1391177825.db2.gz QROKFOIBIGNPIH-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN C[C@@H](c1nnc(N2CCC(C(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348144312 1391178719 /nfs/dbraw/zinc/17/87/19/1391178719.db2.gz BDVJTIKANIKVPX-LBPRGKRZSA-N 0 0 335.452 3.288 10 5 EGBERN CC(=O)c1ncc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001348438445 1391219254 /nfs/dbraw/zinc/21/92/54/1391219254.db2.gz LGQHSDCXNOUSLR-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN Cn1ncc(C2CCC2)c1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001348435521 1391219279 /nfs/dbraw/zinc/21/92/79/1391219279.db2.gz FQXRKMWKTSAAGC-UHFFFAOYSA-N 0 0 325.328 3.313 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001348793332 1391267889 /nfs/dbraw/zinc/26/78/89/1391267889.db2.gz HMITWCGQSRCSMI-JSGCOSHPSA-N 0 0 338.791 3.422 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001348994144 1391294352 /nfs/dbraw/zinc/29/43/52/1391294352.db2.gz HOJMVSXJBYEFMJ-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1ccnc1 ZINC001349022109 1391297492 /nfs/dbraw/zinc/29/74/92/1391297492.db2.gz NOKHSOJCBZPPSR-OAHLLOKOSA-N 0 0 345.399 3.339 10 5 EGBERN Cc1nc(NCC[C@@H]2CSc3ccccc3O2)ncc1[N+](=O)[O-] ZINC001349069585 1391300461 /nfs/dbraw/zinc/30/04/61/1391300461.db2.gz VQDYXQVVZOKMAY-LLVKDONJSA-N 0 0 332.385 3.049 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC001349067550 1391300484 /nfs/dbraw/zinc/30/04/84/1391300484.db2.gz FVGIPLSWWGIDLN-RWCYGVJQSA-N 0 0 328.315 3.484 10 5 EGBERN CC(C)N=c1ccccn1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349590604 1391343321 /nfs/dbraw/zinc/34/33/21/1391343321.db2.gz CHPORCZXJCMRIY-HOTGVXAUSA-N 0 0 325.368 3.149 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001350078224 1391407755 /nfs/dbraw/zinc/40/77/55/1391407755.db2.gz QQSXJFZEHQEKFH-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN COc1cccn2ncc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c12 ZINC001350397818 1391458586 /nfs/dbraw/zinc/45/85/86/1391458586.db2.gz YEOSFIZTDFNFNG-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001350407162 1391460002 /nfs/dbraw/zinc/46/00/02/1391460002.db2.gz GIEPCVTVMYGSHF-LLVKDONJSA-N 0 0 337.376 3.179 10 5 EGBERN O=[N+]([O-])Cc1nnc(N2CCC[C@H]2CC2CCCC2)n1CC1CC1 ZINC001350507734 1391472485 /nfs/dbraw/zinc/47/24/85/1391472485.db2.gz DXOFPSJVOBZNDW-HNNXBMFYSA-N 0 0 333.436 3.014 10 5 EGBERN COc1ccc(OCCSCc2cc(C)nnc2C)c([N+](=O)[O-])c1 ZINC001350623662 1391492676 /nfs/dbraw/zinc/49/26/76/1391492676.db2.gz OXDXYQLDEQRFTC-UHFFFAOYSA-N 0 0 349.412 3.322 10 5 EGBERN COCCOc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)c1 ZINC001351047651 1391587756 /nfs/dbraw/zinc/58/77/56/1391587756.db2.gz JGUSRLGGSBSJCY-UHFFFAOYSA-N 0 0 331.324 3.148 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001351097541 1391596298 /nfs/dbraw/zinc/59/62/98/1391596298.db2.gz XOGJFZXHNXZJCW-CHWSQXEVSA-N 0 0 349.383 3.485 10 5 EGBERN COC(=O)c1sc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1C ZINC001351255896 1391617347 /nfs/dbraw/zinc/61/73/47/1391617347.db2.gz IRIWUZSCHJIDHB-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ocnc1-c1ccccc1 ZINC001351281884 1391620702 /nfs/dbraw/zinc/62/07/02/1391620702.db2.gz AXWCMUBHSDCBDC-UHFFFAOYSA-N 0 0 337.335 3.222 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccc2cccnc21 ZINC001351326596 1391627317 /nfs/dbraw/zinc/62/73/17/1391627317.db2.gz ILKHHVROWCZVHB-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1COC[C@@H]1c1ccccc1 ZINC001351359456 1391631336 /nfs/dbraw/zinc/63/13/36/1391631336.db2.gz RXIRJAVFIQYQHU-KGLIPLIRSA-N 0 0 330.315 3.103 10 5 EGBERN C/C(=C/C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccco1 ZINC001351603895 1391656061 /nfs/dbraw/zinc/65/60/61/1391656061.db2.gz KAERRHYMJIIERY-FLIBITNWSA-N 0 0 344.323 3.391 10 5 EGBERN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001351681969 1391670259 /nfs/dbraw/zinc/67/02/59/1391670259.db2.gz BVURMAXCKARYAK-JKSUJKDBSA-N 0 0 341.323 3.270 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(CC(C)C)nn1C ZINC001351738989 1391681807 /nfs/dbraw/zinc/68/18/07/1391681807.db2.gz LGNJSXIOCGNHFV-UHFFFAOYSA-N 0 0 334.351 3.227 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001352510833 1391806882 /nfs/dbraw/zinc/80/68/82/1391806882.db2.gz QHCZYZRYUACRSU-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=C(CCc1cc(F)ccc1F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001352603958 1391821164 /nfs/dbraw/zinc/82/11/64/1391821164.db2.gz BBBPOTKKWRKODN-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001352635049 1391827232 /nfs/dbraw/zinc/82/72/32/1391827232.db2.gz SUNJSTUKBZGMRJ-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-n1cncn1 ZINC001352660221 1391829687 /nfs/dbraw/zinc/82/96/87/1391829687.db2.gz KCHUEOIYPMLRLX-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(Sc3ccccc3)CC2)n1 ZINC001352767994 1391845424 /nfs/dbraw/zinc/84/54/24/1391845424.db2.gz XGDGBRXBZIASIR-UHFFFAOYSA-N 0 0 343.408 3.353 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC001353277273 1391981974 /nfs/dbraw/zinc/98/19/74/1391981974.db2.gz ZHVPQWFQONTRLA-SFHVURJKSA-N 0 0 348.399 3.167 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(Cl)nn1 ZINC001353819584 1392097354 /nfs/dbraw/zinc/09/73/54/1392097354.db2.gz AWUTZWJYVRYGMS-UHFFFAOYSA-N 0 0 338.776 3.037 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccccc1N=S(C)(C)=O ZINC001354089233 1392119821 /nfs/dbraw/zinc/11/98/21/1392119821.db2.gz LGLAWOOZGQKWFV-UHFFFAOYSA-N 0 0 348.380 3.482 10 5 EGBERN Cc1ccc(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nn1 ZINC001354119420 1392121358 /nfs/dbraw/zinc/12/13/58/1392121358.db2.gz SYNFUTQNWIJIHL-UHFFFAOYSA-N 0 0 328.353 3.185 10 5 EGBERN Cc1c2ccccc2c(=O)oc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001354147348 1392122962 /nfs/dbraw/zinc/12/29/62/1392122962.db2.gz RJKABPWUJACUMQ-UHFFFAOYSA-N 0 0 325.276 3.229 10 5 EGBERN COc1ccc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)c(C)c1OC ZINC001354533028 1392150935 /nfs/dbraw/zinc/15/09/35/1392150935.db2.gz FUIRAOSOKBFJAQ-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN COCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001354742309 1392165806 /nfs/dbraw/zinc/16/58/06/1392165806.db2.gz WKHHVBSNFBGBCW-UHFFFAOYSA-N 0 0 332.331 3.119 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(-n2cccc2)c1 ZINC001355056533 1392189999 /nfs/dbraw/zinc/18/99/99/1392189999.db2.gz ZQHOKQBAYSJXLH-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)COCc1ccc(C)cc1 ZINC001355056169 1392190054 /nfs/dbraw/zinc/19/00/54/1392190054.db2.gz SGSOIPVHIAVSLQ-UHFFFAOYSA-N 0 0 330.340 3.067 10 5 EGBERN C[Si](C)(C)c1ccc(CC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001355120965 1392194992 /nfs/dbraw/zinc/19/49/92/1392194992.db2.gz ZCLFRSSAPMEGNS-UHFFFAOYSA-N 0 0 343.455 3.426 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001355162206 1392196765 /nfs/dbraw/zinc/19/67/65/1392196765.db2.gz WAKPWIRRTIMNES-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN CC(C)CC(C)(C)C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001480933926 1393029196 /nfs/dbraw/zinc/02/91/96/1393029196.db2.gz TZXGHMDXHWBCSX-UHFFFAOYSA-N 0 0 341.477 3.277 10 5 EGBERN CCC(CC)(CC)C(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481591905 1394415589 /nfs/dbraw/zinc/41/55/89/1394415589.db2.gz WSCHLJVPWLSAJS-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CC(C)c1nc(C(=O)NCCN(C)c2ccccc2[N+](=O)[O-])cs1 ZINC001689819394 1404158377 /nfs/dbraw/zinc/15/83/77/1404158377.db2.gz QQSHQBIDTLNALW-UHFFFAOYSA-N 0 0 348.428 3.041 10 5 EGBERN CCc1ccccc1C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001713464340 1418124385 /nfs/dbraw/zinc/12/43/85/1418124385.db2.gz FFRLJHWEMFRCMA-UHFFFAOYSA-N 0 0 347.440 3.081 10 5 EGBERN CCC1(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001713471873 1418142536 /nfs/dbraw/zinc/14/25/36/1418142536.db2.gz CSKVAGGYORVIBK-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001713474190 1418150094 /nfs/dbraw/zinc/15/00/94/1418150094.db2.gz LXCXBJDSWMTWMN-WKILWMFISA-N 0 0 347.459 3.359 10 5 EGBERN CCC(=O)NCc1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC001724737553 1425095907 /nfs/dbraw/zinc/09/59/07/1425095907.db2.gz KZKWBZAOZZGVBS-UHFFFAOYSA-N 0 0 341.411 3.253 10 5 EGBERN Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC1(C)CCC1 ZINC001751884398 1440125321 /nfs/dbraw/zinc/12/53/21/1440125321.db2.gz OFJHDHHXLXHITJ-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN C[C@@H](CCc1cccn1C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174438417 231207595 /nfs/dbraw/zinc/20/75/95/231207595.db2.gz BJDOFQXREBASLO-LBPRGKRZSA-N 0 0 340.383 3.166 10 5 EGBERN CC(C)[C@@H](NC(=O)C1CCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718486 219159357 /nfs/dbraw/zinc/15/93/57/219159357.db2.gz VSPAWWRANMYTLZ-CQSZACIVSA-N 0 0 344.371 3.258 10 5 EGBERN CCN(c1ccccc1)c1cc(N(C)C)c2nonc2c1[N+](=O)[O-] ZINC000003904309 210089041 /nfs/dbraw/zinc/08/90/41/210089041.db2.gz IOXFXZFTKRDFLD-UHFFFAOYSA-N 0 0 327.344 3.355 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066713100 215072175 /nfs/dbraw/zinc/07/21/75/215072175.db2.gz XQVBJDPRRRQPSC-KBXCAEBGSA-N 0 0 340.379 3.126 10 5 EGBERN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000126963711 222774182 /nfs/dbraw/zinc/77/41/82/222774182.db2.gz JFSUHJQEHDGNIK-RYUDHWBXSA-N 0 0 333.413 3.328 10 5 EGBERN O=[N+]([O-])c1c(Nc2cccc3cccnc32)ncnc1N1CCCC1 ZINC000040608995 213358614 /nfs/dbraw/zinc/35/86/14/213358614.db2.gz OPZHNGGBHLCNMS-UHFFFAOYSA-N 0 0 336.355 3.277 10 5 EGBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1-n1cnc2ccccc21 ZINC000040598478 213356857 /nfs/dbraw/zinc/35/68/57/213356857.db2.gz FRIAKOZGHCXAJX-UHFFFAOYSA-N 0 0 338.371 3.468 10 5 EGBERN COCCNc1ncnc(Nc2ccc(C)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591022 213355410 /nfs/dbraw/zinc/35/54/10/213355410.db2.gz XUEJPBUVRAOQHU-UHFFFAOYSA-N 0 0 337.767 3.149 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000183767151 235219313 /nfs/dbraw/zinc/21/93/13/235219313.db2.gz OWVUXLIGLZNAEW-VIFPVBQESA-N 0 0 336.417 3.407 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036314619 213083537 /nfs/dbraw/zinc/08/35/37/213083537.db2.gz BEGUATBOAJBPSJ-SFHVURJKSA-N 0 0 340.379 3.416 10 5 EGBERN Cc1cccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000032823985 212849956 /nfs/dbraw/zinc/84/99/56/212849956.db2.gz RCANCUXISFRWAY-CYBMUJFWSA-N 0 0 325.368 3.293 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000072203797 216069275 /nfs/dbraw/zinc/06/92/75/216069275.db2.gz GQVYXXWSRRLWHI-VXGBXAGGSA-N 0 0 336.392 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000072236675 216076869 /nfs/dbraw/zinc/07/68/69/216076869.db2.gz JJQUYMMFIVCTHO-UHFFFAOYSA-N 0 0 349.144 3.326 10 5 EGBERN O=C(/C=C/c1ccccc1)Nc1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000000381543 209561352 /nfs/dbraw/zinc/56/13/52/209561352.db2.gz RPXZFKUWONLCNP-MDZDMXLPSA-N 0 0 336.303 3.353 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccccc1Cl ZINC000000245438 209501935 /nfs/dbraw/zinc/50/19/35/209501935.db2.gz ATJKTFHGQQJWCJ-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191611243 239211630 /nfs/dbraw/zinc/21/16/30/239211630.db2.gz FNGOHIVERMXSBQ-MFKMUULPSA-N 0 0 326.780 3.022 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023994896 212402776 /nfs/dbraw/zinc/40/27/76/212402776.db2.gz GKSSFVPXVMQJIX-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN C[C@H]1c2ccccc2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000340798364 291320597 /nfs/dbraw/zinc/32/05/97/291320597.db2.gz MVDWAPBAMZANJQ-NSHDSACASA-N 0 0 332.381 3.080 10 5 EGBERN CCOc1ncnc(Nc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040626824 213361328 /nfs/dbraw/zinc/36/13/28/213361328.db2.gz HEQAULLJALAJDS-UHFFFAOYSA-N 0 0 325.328 3.384 10 5 EGBERN Cn1cc(C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cn1 ZINC000110413580 220035195 /nfs/dbraw/zinc/03/51/95/220035195.db2.gz POXQVXVHVVRDAB-UHFFFAOYSA-N 0 0 337.383 3.261 10 5 EGBERN COc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110450466 220037709 /nfs/dbraw/zinc/03/77/09/220037709.db2.gz NCSHSTLYVUYKEL-GJZGRUSLSA-N 0 0 326.352 3.137 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000078935696 217151557 /nfs/dbraw/zinc/15/15/57/217151557.db2.gz UCQCLLALQANMEO-WMZOPIPTSA-N 0 0 340.379 3.323 10 5 EGBERN Cc1nn(C)c(NCc2ccc(C(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000266303755 248237398 /nfs/dbraw/zinc/23/73/98/248237398.db2.gz ZAKVSOFNXUJTDV-UHFFFAOYSA-N 0 0 346.387 3.204 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000378257912 169092438 /nfs/dbraw/zinc/09/24/38/169092438.db2.gz FHQSJHUICNVBSN-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1cc(C)c([N+](=O)[O-])cn1)CC2 ZINC000378265031 169093769 /nfs/dbraw/zinc/09/37/69/169093769.db2.gz TUMOBRVAOSBWDY-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378389382 169112578 /nfs/dbraw/zinc/11/25/78/169112578.db2.gz RPUISAXDTSXTFG-APWZRJJASA-N 0 0 340.379 3.031 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378399703 169114432 /nfs/dbraw/zinc/11/44/32/169114432.db2.gz SAJYTCSDXFJFNP-VQIMIIECSA-N 0 0 340.379 3.031 10 5 EGBERN CCc1nc(CC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000090467624 217931764 /nfs/dbraw/zinc/93/17/64/217931764.db2.gz YAHHEWTUYQLCJH-AWEZNQCLSA-N 0 0 333.413 3.424 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585211 211223476 /nfs/dbraw/zinc/22/34/76/211223476.db2.gz HPKUXGZGCPHCDT-MRXNPFEDSA-N 0 0 336.351 3.448 10 5 EGBERN Cc1csc([C@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000092789929 218167697 /nfs/dbraw/zinc/16/76/97/218167697.db2.gz LSUQGCOXEJLCGW-OAHLLOKOSA-N 0 0 333.413 3.242 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nccs1 ZINC000095451769 218396592 /nfs/dbraw/zinc/39/65/92/218396592.db2.gz ZPWMEKSFJZWDNK-LBPRGKRZSA-N 0 0 342.380 3.481 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccncc1F ZINC000095991451 218498093 /nfs/dbraw/zinc/49/80/93/218498093.db2.gz AAIITPUQUYXFPT-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN COc1cc(C(=O)NCC2(C)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000267631663 251208474 /nfs/dbraw/zinc/20/84/74/251208474.db2.gz HANMMPAJWRBFDU-UHFFFAOYSA-N 0 0 344.314 3.125 10 5 EGBERN Cc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000005970230 210570629 /nfs/dbraw/zinc/57/06/29/210570629.db2.gz AIYXYXDPZZMPNE-QWHCGFSZSA-N 0 0 341.367 3.043 10 5 EGBERN O=C(CCc1ccccc1O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000153249935 224079716 /nfs/dbraw/zinc/07/97/16/224079716.db2.gz QLKZHXOJDVVIJW-UHFFFAOYSA-N 0 0 342.395 3.372 10 5 EGBERN CCS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc21 ZINC000005582570 210494769 /nfs/dbraw/zinc/49/47/69/210494769.db2.gz BPXOLXOWKUYYPP-UHFFFAOYSA-N 0 0 331.393 3.199 10 5 EGBERN COc1ccccc1CNC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005035962 210369986 /nfs/dbraw/zinc/36/99/86/210369986.db2.gz IASQHNJMYXPWGR-UHFFFAOYSA-N 0 0 338.410 3.073 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000193493718 257952469 /nfs/dbraw/zinc/95/24/69/257952469.db2.gz NVBZADBYSRFZDR-CZUORRHYSA-N 0 0 335.310 3.397 10 5 EGBERN CCN(CC)c1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000040608038 132404311 /nfs/dbraw/zinc/40/43/11/132404311.db2.gz UFSRGSMIYUXDMI-UHFFFAOYSA-N 0 0 327.388 3.315 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000124692477 140932973 /nfs/dbraw/zinc/93/29/73/140932973.db2.gz UYPUKCPEUMDRJW-VIFPVBQESA-N 0 0 334.307 3.020 10 5 EGBERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182342729 140984010 /nfs/dbraw/zinc/98/40/10/140984010.db2.gz GMNNVNPSMMYJDS-MEDUHNTESA-N 0 0 344.342 3.477 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246887224 141041587 /nfs/dbraw/zinc/04/15/87/141041587.db2.gz DRVARIGWDMOFTE-NXOAAHMSSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)nc2c1 ZINC000344476352 141161232 /nfs/dbraw/zinc/16/12/32/141161232.db2.gz DZEMAWYUUPXTPI-UHFFFAOYSA-N 0 0 349.350 3.373 10 5 EGBERN C[C@H](NC(=O)NC[C@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000346456659 141198200 /nfs/dbraw/zinc/19/82/00/141198200.db2.gz UYMDKSMOIDRQKK-DZGCQCFKSA-N 0 0 349.431 3.144 10 5 EGBERN C[C@@H](c1noc(-c2ccc([N+](=O)[O-])n2C)n1)c1c(F)cccc1F ZINC000356848175 141353826 /nfs/dbraw/zinc/35/38/26/141353826.db2.gz MEQUDZZBRQEFBQ-MRVPVSSYSA-N 0 0 334.282 3.413 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])o1 ZINC000359598262 141382742 /nfs/dbraw/zinc/38/27/42/141382742.db2.gz KHFVNCFQWNSEQJ-LBPRGKRZSA-N 0 0 331.372 3.046 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000341318413 142633709 /nfs/dbraw/zinc/63/37/09/142633709.db2.gz FRXQOPZHUODOPR-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000128621862 143964155 /nfs/dbraw/zinc/96/41/55/143964155.db2.gz JZELJHVXTFLNBZ-IINYFYTJSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1csc([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173415124 144041728 /nfs/dbraw/zinc/04/17/28/144041728.db2.gz YDHSKQNVYNRCLO-AWEZNQCLSA-N 0 0 345.424 3.308 10 5 EGBERN Cc1cccc(-c2noc(COc3ncc(C)cc3[N+](=O)[O-])n2)c1 ZINC000175142382 144058915 /nfs/dbraw/zinc/05/89/15/144058915.db2.gz NMXLAIAAJBBJGX-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000183852980 144080428 /nfs/dbraw/zinc/08/04/28/144080428.db2.gz DZJRXWOYSKCDII-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN COc1cc(COc2ccccc2-c2nc[nH]n2)c([N+](=O)[O-])cc1F ZINC000183975000 144082766 /nfs/dbraw/zinc/08/27/66/144082766.db2.gz PIFBGODSMZDHST-UHFFFAOYSA-N 0 0 344.302 3.107 10 5 EGBERN Cn1cc(-c2cc(CSCc3cccc([N+](=O)[O-])c3)on2)cn1 ZINC000184070192 144085764 /nfs/dbraw/zinc/08/57/64/144085764.db2.gz CJJAHCGFUGDRAG-UHFFFAOYSA-N 0 0 330.369 3.417 10 5 EGBERN COc1cccc(N[C@@H](C)c2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC000185567056 144114910 /nfs/dbraw/zinc/11/49/10/144114910.db2.gz JGLBBOIEIXCIKQ-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(F)c(Cl)cc1F ZINC000345513460 144247423 /nfs/dbraw/zinc/24/74/23/144247423.db2.gz WHVOVYJNJFYOMW-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351624190 144288870 /nfs/dbraw/zinc/28/88/70/144288870.db2.gz WUDVWGZFTGMULY-UHFFFAOYSA-N 0 0 347.350 3.367 10 5 EGBERN Cc1csc(NC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000364277316 144395523 /nfs/dbraw/zinc/39/55/23/144395523.db2.gz AEDHMICQBHASNZ-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)o1 ZINC000191777981 292209900 /nfs/dbraw/zinc/20/99/00/292209900.db2.gz AJLYNFJYNKDMIJ-HNNXBMFYSA-N 0 0 329.356 3.446 10 5 EGBERN COc1cc(F)ccc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000115550790 152017979 /nfs/dbraw/zinc/01/79/79/152017979.db2.gz CWSRNBIXTQEANI-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000116290325 152055173 /nfs/dbraw/zinc/05/51/73/152055173.db2.gz GTILQAOJABEDKB-IUODEOHRSA-N 0 0 329.356 3.352 10 5 EGBERN Cc1cc(COC(=O)[C@H]2CCCN2c2nccs2)ccc1[N+](=O)[O-] ZINC000119085378 152172729 /nfs/dbraw/zinc/17/27/29/152172729.db2.gz YDDKPDLTKRCPQP-CQSZACIVSA-N 0 0 347.396 3.072 10 5 EGBERN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000120441986 152276036 /nfs/dbraw/zinc/27/60/36/152276036.db2.gz XNYRHRIVKCDXBB-HZMBPMFUSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000121380073 152347060 /nfs/dbraw/zinc/34/70/60/152347060.db2.gz HAYZLGCTPCRIDT-CRAIPNDOSA-N 0 0 339.395 3.439 10 5 EGBERN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174333580 152852987 /nfs/dbraw/zinc/85/29/87/152852987.db2.gz AQHIGEGCFLUVEI-QMMMGPOBSA-N 0 0 326.324 3.468 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cnc2ccccc2c1 ZINC000188355192 153012643 /nfs/dbraw/zinc/01/26/43/153012643.db2.gz VZUKIOKGWIYWIL-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000190245461 153126597 /nfs/dbraw/zinc/12/65/97/153126597.db2.gz WJIUSGWIFXVSKP-MRXNPFEDSA-N 0 0 341.367 3.226 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000191182438 153178307 /nfs/dbraw/zinc/17/83/07/153178307.db2.gz FPKJETXRKPWWPJ-UHFFFAOYSA-N 0 0 340.335 3.131 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000191348158 153188005 /nfs/dbraw/zinc/18/80/05/153188005.db2.gz DIDITKAESAWIBZ-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194606737 153347250 /nfs/dbraw/zinc/34/72/50/153347250.db2.gz UNVAYNIVNQOXCA-AWEZNQCLSA-N 0 0 342.399 3.231 10 5 EGBERN CCOc1ccc(C(=O)N2CCCc3c(N)cccc32)cc1[N+](=O)[O-] ZINC000236950823 153481520 /nfs/dbraw/zinc/48/15/20/153481520.db2.gz WSDSNMVTXJYKPB-UHFFFAOYSA-N 0 0 341.367 3.169 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CNc3cnccc3CO)cs2)c1 ZINC000305686847 154102290 /nfs/dbraw/zinc/10/22/90/154102290.db2.gz AOOMDPONTWGHSL-UHFFFAOYSA-N 0 0 342.380 3.218 10 5 EGBERN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000337414129 154342135 /nfs/dbraw/zinc/34/21/35/154342135.db2.gz OQAUOZYZUWQKGU-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN COc1ccc(C(=O)NCCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000337428031 154348518 /nfs/dbraw/zinc/34/85/18/154348518.db2.gz TUKPMRCBHIMWGG-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN O=C(COc1ccsc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000337514082 154390544 /nfs/dbraw/zinc/39/05/44/154390544.db2.gz XPDAZBQWNMNGFA-UHFFFAOYSA-N 0 0 344.295 3.275 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000337662371 154479165 /nfs/dbraw/zinc/47/91/65/154479165.db2.gz RDGVWKMIGWEQHN-UHFFFAOYSA-N 0 0 346.387 3.132 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H](NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000339855988 155003773 /nfs/dbraw/zinc/00/37/73/155003773.db2.gz SLRQECSQMMLZSR-CQSZACIVSA-N 0 0 342.321 3.338 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[C@H](C2CC2)C1 ZINC000341040677 155128080 /nfs/dbraw/zinc/12/80/80/155128080.db2.gz GLTZPJUSCCEGOK-KRWDZBQOSA-N 0 0 345.443 3.053 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000342930733 155586874 /nfs/dbraw/zinc/58/68/74/155586874.db2.gz UTZKNVUNOIZOTJ-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN CC(C)SCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345501544 156129722 /nfs/dbraw/zinc/12/97/22/156129722.db2.gz HSKDIVQDFHGYNZ-UHFFFAOYSA-N 0 0 334.344 3.068 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000347002878 156240439 /nfs/dbraw/zinc/24/04/39/156240439.db2.gz DYVCQRVJVNMEAL-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000349060482 156339923 /nfs/dbraw/zinc/33/99/23/156339923.db2.gz ZWKQORVNWNMGOT-INIZCTEOSA-N 0 0 342.395 3.315 10 5 EGBERN CCOc1ccc(C(=O)N2Cc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000362138192 157039218 /nfs/dbraw/zinc/03/92/18/157039218.db2.gz LKLDLHFSUWMLSH-UHFFFAOYSA-N 0 0 326.352 3.458 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CC(F)(F)C[C@H]3CO)o2)cc1 ZINC000372641369 157371451 /nfs/dbraw/zinc/37/14/51/157371451.db2.gz RBDAXXZDKOUEMA-ZDUSSCGKSA-N 0 0 338.310 3.057 10 5 EGBERN CC(C)OCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000396374751 308903799 /nfs/dbraw/zinc/90/37/99/308903799.db2.gz OHXDEDWOUYZTBG-UHFFFAOYSA-N 0 0 332.198 3.368 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000077933860 161753971 /nfs/dbraw/zinc/75/39/71/161753971.db2.gz ZWNAOEQTTVOKAI-ZIAGYGMSSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000105847423 162058467 /nfs/dbraw/zinc/05/84/67/162058467.db2.gz CWJVTSBPQTYTHD-HNNXBMFYSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000108755889 162084188 /nfs/dbraw/zinc/08/41/88/162084188.db2.gz UXRVLMQWCISCPH-ZDUSSCGKSA-N 0 0 327.384 3.276 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000110455063 162129348 /nfs/dbraw/zinc/12/93/48/162129348.db2.gz BPLJMLSVHXYPAZ-HIFRSBDPSA-N 0 0 326.352 3.137 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000130684968 162375714 /nfs/dbraw/zinc/37/57/14/162375714.db2.gz DECHKABVWWJQOV-QGZVFWFLSA-N 0 0 346.408 3.092 10 5 EGBERN CC(C)c1csc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000180876103 162765539 /nfs/dbraw/zinc/76/55/39/162765539.db2.gz IJFAYQZFURBYKY-UHFFFAOYSA-N 0 0 335.341 3.156 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183645945 162835210 /nfs/dbraw/zinc/83/52/10/162835210.db2.gz CTXCUHIOQQJNPU-CYBMUJFWSA-N 0 0 328.372 3.393 10 5 EGBERN C[C@H]1CC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000338650235 163305334 /nfs/dbraw/zinc/30/53/34/163305334.db2.gz FDDZDUQGAXFZKT-RYUDHWBXSA-N 0 0 345.399 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N(C)Cc2cc(OC)cc(OC)c2)c1 ZINC000338657035 163308619 /nfs/dbraw/zinc/30/86/19/163308619.db2.gz RBIZDJIPGJMJEL-UHFFFAOYSA-N 0 0 332.356 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCC[C@@H]2COc3ccccc3O2)c1 ZINC000338683930 163317787 /nfs/dbraw/zinc/31/77/87/163317787.db2.gz WECXOMLIWLBFCF-CYBMUJFWSA-N 0 0 330.340 3.245 10 5 EGBERN Cc1cc(NCc2nc(CO)cs2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338705850 163325410 /nfs/dbraw/zinc/32/54/10/163325410.db2.gz LMIGXMHBBAGEHE-UHFFFAOYSA-N 0 0 347.318 3.483 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCc2ccn(Cc3ccccc3)n2)c1 ZINC000338719978 163329834 /nfs/dbraw/zinc/32/98/34/163329834.db2.gz IBUWHIWHJMJLTF-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1cccnc1)C1CC1 ZINC000343644639 164002121 /nfs/dbraw/zinc/00/21/21/164002121.db2.gz CJWQJMAIHLGJIQ-QGZVFWFLSA-N 0 0 347.321 3.078 10 5 EGBERN Cc1ccncc1N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000343681065 164011049 /nfs/dbraw/zinc/01/10/49/164011049.db2.gz QCTRETVAJVPJEI-XQRVVYSFSA-N 0 0 338.411 3.134 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000344029925 164086385 /nfs/dbraw/zinc/08/63/85/164086385.db2.gz DAADBLCAUJMWNB-UHFFFAOYSA-N 0 0 347.371 3.263 10 5 EGBERN CN(C(=O)c1cccc(-c2cscn2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344207881 164126978 /nfs/dbraw/zinc/12/69/78/164126978.db2.gz JOTBHPPAPSAHCL-UHFFFAOYSA-N 0 0 340.364 3.390 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000344216231 164128487 /nfs/dbraw/zinc/12/84/87/164128487.db2.gz HULHSXCXVVQNTM-GFCCVEGCSA-N 0 0 330.340 3.034 10 5 EGBERN CCCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1ccncc1 ZINC000344416852 164174718 /nfs/dbraw/zinc/17/47/18/164174718.db2.gz JSGHCTACUSYRRV-UHFFFAOYSA-N 0 0 342.384 3.205 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000344447680 164181006 /nfs/dbraw/zinc/18/10/06/164181006.db2.gz KTMYPSRRGWBKNP-AWEZNQCLSA-N 0 0 336.344 3.009 10 5 EGBERN C[C@@H](NC(=O)c1ccc2nsnc2c1)c1ccccc1[N+](=O)[O-] ZINC000346278355 164364447 /nfs/dbraw/zinc/36/44/47/164364447.db2.gz XCQZYCXRRCGNJD-SECBINFHSA-N 0 0 328.353 3.091 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc([C@H]2CCCOC2)c1 ZINC000346510037 164389105 /nfs/dbraw/zinc/38/91/05/164389105.db2.gz OBPUYMVWYUVTBA-KRWDZBQOSA-N 0 0 340.379 3.419 10 5 EGBERN CC(C)c1ccccc1N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000346521538 164390855 /nfs/dbraw/zinc/39/08/55/164390855.db2.gz OJLJHPZLXJSLCT-UHFFFAOYSA-N 0 0 330.388 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000347694428 164549514 /nfs/dbraw/zinc/54/95/14/164549514.db2.gz UETSOQKWANKPND-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN CC(C)C(=O)N1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000349586183 164899986 /nfs/dbraw/zinc/89/99/86/164899986.db2.gz RLRRBAVNVUBNQO-UHFFFAOYSA-N 0 0 333.432 3.018 10 5 EGBERN COC(C)(C)c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000349875724 164964702 /nfs/dbraw/zinc/96/47/02/164964702.db2.gz DVGPTMASJMICTA-UHFFFAOYSA-N 0 0 329.259 3.128 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351896969 165140879 /nfs/dbraw/zinc/14/08/79/165140879.db2.gz JTVFCGFZRQMXEH-KGLIPLIRSA-N 0 0 340.807 3.117 10 5 EGBERN Cc1n[nH]c(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)c1[N+](=O)[O-] ZINC000352253105 165310262 /nfs/dbraw/zinc/31/02/62/165310262.db2.gz VLXWABNFWQRQEN-OAHLLOKOSA-N 0 0 330.388 3.404 10 5 EGBERN CC[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000352359432 165361989 /nfs/dbraw/zinc/36/19/89/165361989.db2.gz HJRDLUHSZAJATH-CQSZACIVSA-N 0 0 339.399 3.478 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352397400 165379863 /nfs/dbraw/zinc/37/98/63/165379863.db2.gz JKJKQFMYGORFEH-UHFFFAOYSA-N 0 0 345.746 3.446 10 5 EGBERN Cc1nn(Cc2csc(N(C)C3CC3)n2)c2ccc([N+](=O)[O-])cc12 ZINC000355434031 166198622 /nfs/dbraw/zinc/19/86/22/166198622.db2.gz HIEQTULRRBDLSV-UHFFFAOYSA-N 0 0 343.412 3.356 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000355931615 166351530 /nfs/dbraw/zinc/35/15/30/166351530.db2.gz BVVUVWROYZNFCH-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN COc1cc(OCCOCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000355932870 166352185 /nfs/dbraw/zinc/35/21/85/166352185.db2.gz FAZUXLRWCOGSRR-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355938673 166354093 /nfs/dbraw/zinc/35/40/93/166354093.db2.gz WEXISOYDOXBGNM-GRYCIOLGSA-N 0 0 336.388 3.119 10 5 EGBERN C[C@@H](F)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000356657303 166476265 /nfs/dbraw/zinc/47/62/65/166476265.db2.gz TYSSSGPQVSYRCW-CYBMUJFWSA-N 0 0 337.395 3.309 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ccc3nc[nH]c3n2)cc1[N+](=O)[O-] ZINC000356725472 166492435 /nfs/dbraw/zinc/49/24/35/166492435.db2.gz AVNMGZSEPUFFTD-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN O=C1CCc2cc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)ccc2N1 ZINC000357080734 166579256 /nfs/dbraw/zinc/57/92/56/166579256.db2.gz NCVQYLUSWGTJMN-UHFFFAOYSA-N 0 0 342.336 3.258 10 5 EGBERN COCCc1nc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000357185213 166607087 /nfs/dbraw/zinc/60/70/87/166607087.db2.gz GELBMMPNPXLOFR-UHFFFAOYSA-N 0 0 334.376 3.076 10 5 EGBERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000358408828 166855677 /nfs/dbraw/zinc/85/56/77/166855677.db2.gz IAOYOYRIMNDXEZ-MEDUHNTESA-N 0 0 339.351 3.442 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])o1 ZINC000358936665 167012576 /nfs/dbraw/zinc/01/25/76/167012576.db2.gz XNXIJBKKXGORIH-GFCCVEGCSA-N 0 0 332.356 3.013 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H]1C ZINC000358979246 167026006 /nfs/dbraw/zinc/02/60/06/167026006.db2.gz LJRNMBVWDPQENZ-NXEZZACHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC000359069537 167057582 /nfs/dbraw/zinc/05/75/82/167057582.db2.gz XMFDVGHJFNASHG-UHFFFAOYSA-N 0 0 340.282 3.370 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3CCCC3=O)cc2)n1 ZINC000359081464 167061544 /nfs/dbraw/zinc/06/15/44/167061544.db2.gz JGDNNNWPYRLCIA-UHFFFAOYSA-N 0 0 326.356 3.477 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(N3CCCC3=O)c2)n1 ZINC000359082790 167062058 /nfs/dbraw/zinc/06/20/58/167062058.db2.gz MNKDVMZGKOIIOH-UHFFFAOYSA-N 0 0 340.383 3.346 10 5 EGBERN COc1ccc([C@@H](CCO)Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359097603 167066475 /nfs/dbraw/zinc/06/64/75/167066475.db2.gz QLFFHTBMDDRADV-OAHLLOKOSA-N 0 0 331.372 3.151 10 5 EGBERN COc1cc(Nc2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])cc1OC ZINC000359289513 167116731 /nfs/dbraw/zinc/11/67/31/167116731.db2.gz KUFKDKOSSNGQHU-UHFFFAOYSA-N 0 0 343.339 3.092 10 5 EGBERN Cc1cc(NCc2nccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000359868134 167253700 /nfs/dbraw/zinc/25/37/00/167253700.db2.gz CLZVBRNWLJEYED-UHFFFAOYSA-N 0 0 332.257 3.413 10 5 EGBERN Cc1ccncc1CN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000360087273 167263934 /nfs/dbraw/zinc/26/39/34/167263934.db2.gz JZCHCOZMRDVPNG-UHFFFAOYSA-N 0 0 337.177 3.092 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000360394611 167319637 /nfs/dbraw/zinc/31/96/37/167319637.db2.gz LOVPKTPFHSYJCB-MRXNPFEDSA-N 0 0 342.355 3.271 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000360971245 167468460 /nfs/dbraw/zinc/46/84/60/167468460.db2.gz QZMMFISHLABACG-GWCFXTLKSA-N 0 0 330.306 3.327 10 5 EGBERN C[C@H](CCc1ccco1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361031033 167490726 /nfs/dbraw/zinc/49/07/26/167490726.db2.gz VRMAWALONZIXSW-SNVBAGLBSA-N 0 0 338.310 3.146 10 5 EGBERN COc1ccc(NC(=O)CN2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361073982 167509307 /nfs/dbraw/zinc/50/93/07/167509307.db2.gz OCZPHMSWBWEDTP-LBPRGKRZSA-N 0 0 341.367 3.119 10 5 EGBERN CSCCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362921474 167863123 /nfs/dbraw/zinc/86/31/23/167863123.db2.gz FIGGAMJPOMHQFE-UHFFFAOYSA-N 0 0 336.335 3.373 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC000366834413 168146886 /nfs/dbraw/zinc/14/68/86/168146886.db2.gz UBBSEMSJHMNULX-UHFFFAOYSA-N 0 0 325.368 3.106 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000367175651 168189229 /nfs/dbraw/zinc/18/92/29/168189229.db2.gz ZIRHNVWGNSYBCP-HMQGTJFBSA-N 0 0 339.351 3.144 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367555930 168241511 /nfs/dbraw/zinc/24/15/11/168241511.db2.gz FFWCLMTVJUPCMH-SJLPKXTDSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000367557830 168241750 /nfs/dbraw/zinc/24/17/50/168241750.db2.gz UOKQVTSJLKZHJI-YJBOKZPZSA-N 0 0 340.379 3.411 10 5 EGBERN COc1cc(N2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000124087145 222373562 /nfs/dbraw/zinc/37/35/62/222373562.db2.gz GBUIFGHMJAJRIT-LBPRGKRZSA-N 0 0 346.362 3.076 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000026830834 264595406 /nfs/dbraw/zinc/59/54/06/264595406.db2.gz KHXPWYIXLRFPDC-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000084776453 264659208 /nfs/dbraw/zinc/65/92/08/264659208.db2.gz UJQSNLJOKXOBNG-GFCCVEGCSA-N 0 0 339.355 3.156 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000172742665 264948505 /nfs/dbraw/zinc/94/85/05/264948505.db2.gz VCDNNICZFSEEKC-LBPRGKRZSA-N 0 0 332.331 3.240 10 5 EGBERN CCc1cnc(CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000174151036 265028009 /nfs/dbraw/zinc/02/80/09/265028009.db2.gz LKMFHGYHRJDVGZ-LLVKDONJSA-N 0 0 348.428 3.217 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176686450 265197537 /nfs/dbraw/zinc/19/75/37/265197537.db2.gz MCRBJSFEHSEJTM-CABCVRRESA-N 0 0 337.420 3.406 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176703928 265197590 /nfs/dbraw/zinc/19/75/90/265197590.db2.gz FYCVTIQAQJEDSU-HUUCEWRRSA-N 0 0 337.420 3.142 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000176800871 265205570 /nfs/dbraw/zinc/20/55/70/265205570.db2.gz FJBGENOIXLCDRZ-SNVBAGLBSA-N 0 0 347.396 3.270 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000176952981 265217527 /nfs/dbraw/zinc/21/75/27/265217527.db2.gz ASUXRBSAMYGKCN-ZDUSSCGKSA-N 0 0 343.383 3.311 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000177634781 265269073 /nfs/dbraw/zinc/26/90/73/265269073.db2.gz RLMYLEBPKCHYOP-GFCCVEGCSA-N 0 0 331.294 3.149 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000191834727 265934493 /nfs/dbraw/zinc/93/44/93/265934493.db2.gz SWVCGZNKRSWDNM-MEDUHNTESA-N 0 0 346.362 3.174 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)Oc2ncccc21 ZINC000274085510 267178696 /nfs/dbraw/zinc/17/86/96/267178696.db2.gz RBWWQZDWKNSVEE-SNVBAGLBSA-N 0 0 347.758 3.379 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000274461776 267241645 /nfs/dbraw/zinc/24/16/45/267241645.db2.gz KPGOMQWVVVVHQD-HNNXBMFYSA-N 0 0 341.367 3.220 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276571197 267576456 /nfs/dbraw/zinc/57/64/56/267576456.db2.gz KMJXHRSVTWQAIP-NSHDSACASA-N 0 0 326.780 3.055 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000278160145 267952614 /nfs/dbraw/zinc/95/26/14/267952614.db2.gz PFLDPFVTPMZLHL-LLVKDONJSA-N 0 0 348.790 3.300 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(C(C)(C)C)on2)c1 ZINC000278525308 268032419 /nfs/dbraw/zinc/03/24/19/268032419.db2.gz HGLXELKTUBUJRA-UHFFFAOYSA-N 0 0 334.328 3.246 10 5 EGBERN Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2n1 ZINC000345754591 274824887 /nfs/dbraw/zinc/82/48/87/274824887.db2.gz ADJIAVVJVJJHBX-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CCCC2)cc1OC ZINC000044705898 275132276 /nfs/dbraw/zinc/13/22/76/275132276.db2.gz FIPSPBBWOHUESD-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN C[C@H](Oc1cccc(F)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376176 275161726 /nfs/dbraw/zinc/16/17/26/275161726.db2.gz UVZRVCDJMZBESW-NEPJUHHUSA-N 0 0 344.342 3.479 10 5 EGBERN COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1F ZINC000103376958 275161789 /nfs/dbraw/zinc/16/17/89/275161789.db2.gz SLSNGILVUMACRH-NSHDSACASA-N 0 0 344.342 3.263 10 5 EGBERN C[C@@H](OCc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375530 275161819 /nfs/dbraw/zinc/16/18/19/275161819.db2.gz XUAZVJDEHVKXSW-UONOGXRCSA-N 0 0 340.379 3.478 10 5 EGBERN Cc1ccnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)n1 ZINC000115132095 275189077 /nfs/dbraw/zinc/18/90/77/275189077.db2.gz AMUULFAGBMIGFS-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN COC(=O)c1coc(COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184986068 275214436 /nfs/dbraw/zinc/21/44/36/275214436.db2.gz SBMCFLNKANXLMZ-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194818566 275226883 /nfs/dbraw/zinc/22/68/83/275226883.db2.gz JMNGSVQMEZKDDL-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194879165 275229003 /nfs/dbraw/zinc/22/90/03/275229003.db2.gz HLCCLWVKDBAOHU-GWCFXTLKSA-N 0 0 329.356 3.063 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000278638899 275261493 /nfs/dbraw/zinc/26/14/93/275261493.db2.gz OUKIDHRBTOLQDJ-CQSZACIVSA-N 0 0 344.342 3.401 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H](Oc3ncccc3F)C2)cs1 ZINC000278901331 275285863 /nfs/dbraw/zinc/28/58/63/275285863.db2.gz RQAFTCJQXUAISH-GFCCVEGCSA-N 0 0 337.376 3.234 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@H]1C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000279246403 275315876 /nfs/dbraw/zinc/31/58/76/275315876.db2.gz HOJSHYPRVSRFCY-QRTARXTBSA-N 0 0 349.431 3.381 10 5 EGBERN CCc1csc(CC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000279327809 275322961 /nfs/dbraw/zinc/32/29/61/275322961.db2.gz CLDLANYLKXKVBW-CQSZACIVSA-N 0 0 333.413 3.424 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000279917437 275375557 /nfs/dbraw/zinc/37/55/57/275375557.db2.gz FSWHYGHQUKTNNU-JTQLQIEISA-N 0 0 346.305 3.408 10 5 EGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020946015 275476255 /nfs/dbraw/zinc/47/62/55/275476255.db2.gz UDFFOIYEIXILFO-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000366834852 275535125 /nfs/dbraw/zinc/53/51/25/275535125.db2.gz ARSSJQULTLAFLZ-ZDUSSCGKSA-N 0 0 332.400 3.001 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000281949654 275591078 /nfs/dbraw/zinc/59/10/78/275591078.db2.gz INUOHLCBBAIOBW-CLVCIHKQSA-N 0 0 344.411 3.464 10 5 EGBERN CCC[C@@H](NC(=O)[C@H](C)n1cc(C)c([N+](=O)[O-])n1)c1ccccc1 ZINC000282154647 275607112 /nfs/dbraw/zinc/60/71/12/275607112.db2.gz CEYUPSRMVLNSKO-DZGCQCFKSA-N 0 0 330.388 3.318 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000286833936 276048201 /nfs/dbraw/zinc/04/82/01/276048201.db2.gz YNLXPWVUBGJQQN-LBPRGKRZSA-N 0 0 342.342 3.214 10 5 EGBERN CC(=O)c1cc(N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000287758316 276154696 /nfs/dbraw/zinc/15/46/96/276154696.db2.gz HEVBUEYTNKOJBY-HNNXBMFYSA-N 0 0 332.381 3.437 10 5 EGBERN COCC(C)(C)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288104406 276183343 /nfs/dbraw/zinc/18/33/43/276183343.db2.gz IGTKORVKGXRWOA-UHFFFAOYSA-N 0 0 333.388 3.259 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000288961528 276272103 /nfs/dbraw/zinc/27/21/03/276272103.db2.gz TWLVOJCVWYCJNC-NHYWBVRUSA-N 0 0 348.378 3.225 10 5 EGBERN CCC[C@]1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000288965047 276272486 /nfs/dbraw/zinc/27/24/86/276272486.db2.gz WMVPNGBFAKJFEB-HNNXBMFYSA-N 0 0 326.780 3.246 10 5 EGBERN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000289284619 276316296 /nfs/dbraw/zinc/31/62/96/276316296.db2.gz GANIWHZXNSEUSH-LLVKDONJSA-N 0 0 327.344 3.181 10 5 EGBERN Cc1ccc(CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(Cl)n1 ZINC000289542250 276355389 /nfs/dbraw/zinc/35/53/89/276355389.db2.gz CQCVNRGANBZJBR-UHFFFAOYSA-N 0 0 345.786 3.474 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289618803 276367187 /nfs/dbraw/zinc/36/71/87/276367187.db2.gz JQWPQQLVKGKWAG-SNVBAGLBSA-N 0 0 329.784 3.119 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CCCO[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000191944721 276663121 /nfs/dbraw/zinc/66/31/21/276663121.db2.gz ZPNDJSIQXRSRGG-FZMZJTMJSA-N 0 0 343.383 3.459 10 5 EGBERN CC[C@H](NC(=O)Cc1c(C)nn(CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000292431804 276795278 /nfs/dbraw/zinc/79/52/78/276795278.db2.gz MCSOMFVYOZTGFC-KRWDZBQOSA-N 0 0 344.415 3.238 10 5 EGBERN Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000340840918 278739792 /nfs/dbraw/zinc/73/97/92/278739792.db2.gz FXNDNYJIIJUQHT-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000346357084 279109377 /nfs/dbraw/zinc/10/93/77/279109377.db2.gz FIFZJZFSEJPAMP-CQSZACIVSA-N 0 0 344.415 3.326 10 5 EGBERN CCSCC[C@@H](C)N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340012840 280038839 /nfs/dbraw/zinc/03/88/39/280038839.db2.gz FMCVAFPBEJMXDT-LLVKDONJSA-N 0 0 341.433 3.053 10 5 EGBERN O=C([C@@H]1CC12CCN(c1ccccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000374520386 280078363 /nfs/dbraw/zinc/07/83/63/280078363.db2.gz IODKSDWAOVKAOM-HNNXBMFYSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1Cc2ccccc2[C@@H]1C ZINC000340825643 280663696 /nfs/dbraw/zinc/66/36/96/280663696.db2.gz OIZMRRSOYOIEPF-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN COc1ccc2c(c1)CCCCN2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000377239668 295257721 /nfs/dbraw/zinc/25/77/21/295257721.db2.gz NJBCIQTZIJOPSL-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000347873707 295286225 /nfs/dbraw/zinc/28/62/25/295286225.db2.gz MRBNKDRZSGAVFD-WCBMZHEXSA-N 0 0 332.278 3.016 10 5 EGBERN Nc1ccc(N2CCc3[nH]c4ccc(F)cc4c3C2)c([N+](=O)[O-])c1 ZINC000367496769 295354167 /nfs/dbraw/zinc/35/41/67/295354167.db2.gz HRMDIZYRYRVJCZ-UHFFFAOYSA-N 0 0 326.331 3.360 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000173565658 301762018 /nfs/dbraw/zinc/76/20/18/301762018.db2.gz QVJDLCALXFQYAL-MFKMUULPSA-N 0 0 346.387 3.152 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000057995461 304807767 /nfs/dbraw/zinc/80/77/67/304807767.db2.gz YQDPHGHXFIPWCV-OAHLLOKOSA-N 0 0 327.388 3.254 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054618345 307338488 /nfs/dbraw/zinc/33/84/88/307338488.db2.gz BSXKCFJWKQTJQL-LBPRGKRZSA-N 0 0 331.347 3.164 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645865 307338804 /nfs/dbraw/zinc/33/88/04/307338804.db2.gz RYBZRMPIRIHKIV-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000058717203 307349868 /nfs/dbraw/zinc/34/98/68/307349868.db2.gz WUJSUJXBGLJWFK-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077561337 307413247 /nfs/dbraw/zinc/41/32/47/307413247.db2.gz YBGRDVCASXSHDD-GFCCVEGCSA-N 0 0 344.371 3.170 10 5 EGBERN CN(C)c1ccccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124126591 307545790 /nfs/dbraw/zinc/54/57/90/307545790.db2.gz AKFFIJISLMZOTD-UHFFFAOYSA-N 0 0 340.383 3.251 10 5 EGBERN CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000126533168 307571007 /nfs/dbraw/zinc/57/10/07/307571007.db2.gz IHQLMRIKDCPHPZ-ZDUSSCGKSA-N 0 0 334.401 3.044 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C)n1 ZINC000136965041 307715061 /nfs/dbraw/zinc/71/50/61/307715061.db2.gz ZEZWTNWFLBQSOQ-UHFFFAOYSA-N 0 0 331.397 3.340 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000138481388 307719635 /nfs/dbraw/zinc/71/96/35/307719635.db2.gz ZNTSATHSZVSOCS-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000152890244 307761392 /nfs/dbraw/zinc/76/13/92/307761392.db2.gz KMOIAHLFEZYWIG-AWEZNQCLSA-N 0 0 334.416 3.096 10 5 EGBERN CC(C)N(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153167212 307767442 /nfs/dbraw/zinc/76/74/42/307767442.db2.gz LXMFTLUWBOEYCP-UHFFFAOYSA-N 0 0 334.397 3.340 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154597366 307796845 /nfs/dbraw/zinc/79/68/45/307796845.db2.gz KJOIXERNMJBAKD-AWEZNQCLSA-N 0 0 326.418 3.079 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCCOCc3ccccc3)nn21 ZINC000158850516 307864734 /nfs/dbraw/zinc/86/47/34/307864734.db2.gz HXIGAAOHRCODFD-UHFFFAOYSA-N 0 0 341.371 3.046 10 5 EGBERN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000159056168 307867672 /nfs/dbraw/zinc/86/76/72/307867672.db2.gz QCUQXHRZJAWMJA-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN O=C(NCCOCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 ZINC000163190616 307920593 /nfs/dbraw/zinc/92/05/93/307920593.db2.gz OTPHBBCIUCRKAV-UHFFFAOYSA-N 0 0 340.788 3.256 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000414472306 309082437 /nfs/dbraw/zinc/08/24/37/309082437.db2.gz NUYGAMYABNORHY-HNNXBMFYSA-N 0 0 342.342 3.197 10 5 EGBERN C[C@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414471999 309082445 /nfs/dbraw/zinc/08/24/45/309082445.db2.gz NBORHVBCHLRYIZ-GUYCJALGSA-N 0 0 346.408 3.340 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293393616 308126693 /nfs/dbraw/zinc/12/66/93/308126693.db2.gz GAYWZTVMWWVYHR-DZGCQCFKSA-N 0 0 340.807 3.112 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000294776807 308255885 /nfs/dbraw/zinc/25/58/85/308255885.db2.gz GIWSTRWLPLJNPU-LLVKDONJSA-N 0 0 326.780 3.198 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000295054154 308285800 /nfs/dbraw/zinc/28/58/00/308285800.db2.gz OXCSYUYENKFDMY-BXUZGUMPSA-N 0 0 340.807 3.117 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000295239021 308306427 /nfs/dbraw/zinc/30/64/27/308306427.db2.gz FUZZNPRLUUMXBN-UHFFFAOYSA-N 0 0 333.775 3.314 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](C)(F)C2)cc1SC ZINC000295489305 308332044 /nfs/dbraw/zinc/33/20/44/308332044.db2.gz JGVYNUDEXWGSDH-OAHLLOKOSA-N 0 0 342.392 3.290 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000295859246 308367997 /nfs/dbraw/zinc/36/79/97/308367997.db2.gz DXKVMMRGJPQOLC-RKDXNWHRSA-N 0 0 348.325 3.244 10 5 EGBERN COc1cc(-c2nc(C3(OC)CCCC3)no2)c([N+](=O)[O-])cc1F ZINC000296799942 308468378 /nfs/dbraw/zinc/46/83/78/308468378.db2.gz LKZAFEBUWFXOPT-UHFFFAOYSA-N 0 0 337.307 3.208 10 5 EGBERN Cc1c(NC(=O)N2CCC3(CCC(O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000297097584 308498632 /nfs/dbraw/zinc/49/86/32/308498632.db2.gz CPCWBNFRRZPEDT-UHFFFAOYSA-N 0 0 347.415 3.452 10 5 EGBERN CCc1ccc([C@H]2COCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000297521157 308541797 /nfs/dbraw/zinc/54/17/97/308541797.db2.gz OLNVOAUNHZEEMX-OAHLLOKOSA-N 0 0 342.355 3.204 10 5 EGBERN O=C1[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000301282059 308694920 /nfs/dbraw/zinc/69/49/20/308694920.db2.gz MXZYOHDALIFQEE-HNNXBMFYSA-N 0 0 329.331 3.341 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)c1 ZINC000301334995 308696904 /nfs/dbraw/zinc/69/69/04/308696904.db2.gz FWBLKAIAASGYMY-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000301414651 308699324 /nfs/dbraw/zinc/69/93/24/308699324.db2.gz BAAGKLGEZYWRIM-GFCCVEGCSA-N 0 0 339.367 3.227 10 5 EGBERN CCC[C@H]1C[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301418517 308699457 /nfs/dbraw/zinc/69/94/57/308699457.db2.gz DABXSLCRFCMRMZ-KWQFWETISA-N 0 0 334.344 3.192 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cn(-c2ccccc2)nn1 ZINC000301651975 308708986 /nfs/dbraw/zinc/70/89/86/308708986.db2.gz KDAHBGAOJODVJT-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@H]3C2)cc1Cl ZINC000301697281 308711465 /nfs/dbraw/zinc/71/14/65/308711465.db2.gz ZLHUSUGJQUODDR-QWRGUYRKSA-N 0 0 336.775 3.437 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301750848 308713745 /nfs/dbraw/zinc/71/37/45/308713745.db2.gz URTGMOYVUNNGSR-MFKMUULPSA-N 0 0 344.396 3.132 10 5 EGBERN CO[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301754405 308713926 /nfs/dbraw/zinc/71/39/26/308713926.db2.gz CNKUQFCZPGZDNZ-WPRPVWTQSA-N 0 0 330.182 3.122 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3CCc3ccccc3)nn21 ZINC000301822308 308716967 /nfs/dbraw/zinc/71/69/67/308716967.db2.gz BVFAIAODASHVRZ-OAHLLOKOSA-N 0 0 337.383 3.239 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000301835392 308717663 /nfs/dbraw/zinc/71/76/63/308717663.db2.gz LEMLKQPPBBGQPV-MRXNPFEDSA-N 0 0 338.310 3.201 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCNc3cccc4ccccc43)nn21 ZINC000301948275 308722767 /nfs/dbraw/zinc/72/27/67/308722767.db2.gz YMNBDDOEZVQMGD-UHFFFAOYSA-N 0 0 348.366 3.315 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302016925 308725263 /nfs/dbraw/zinc/72/52/63/308725263.db2.gz YVZQAJIVLGTFHT-UHFFFAOYSA-N 0 0 335.726 3.066 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(N(C)C)c2)c1 ZINC000302062504 308727639 /nfs/dbraw/zinc/72/76/39/308727639.db2.gz BYBQUBXYFKOVND-UHFFFAOYSA-N 0 0 329.356 3.060 10 5 EGBERN Cc1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000302190076 308732603 /nfs/dbraw/zinc/73/26/03/308732603.db2.gz VJOZMCKWCVNLNQ-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN CCc1cc(Oc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302296273 308735777 /nfs/dbraw/zinc/73/57/77/308735777.db2.gz MILAWGWPXALYAK-UHFFFAOYSA-N 0 0 325.328 3.140 10 5 EGBERN Cc1cccc(N(C)Cc2cn(C)nc2C(F)(F)F)c1[N+](=O)[O-] ZINC000302509539 308738550 /nfs/dbraw/zinc/73/85/50/308738550.db2.gz RZZVTHFPCNSKOP-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(OC3COC3)cc2)c1 ZINC000302548292 308739449 /nfs/dbraw/zinc/73/94/49/308739449.db2.gz PNFQGYNXFRZGAQ-UHFFFAOYSA-N 0 0 334.303 3.264 10 5 EGBERN CO[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000302580761 308740120 /nfs/dbraw/zinc/74/01/20/308740120.db2.gz SZUGJSXENQYTLY-BLLLJJGKSA-N 0 0 342.399 3.221 10 5 EGBERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818514 308746869 /nfs/dbraw/zinc/74/68/69/308746869.db2.gz NJPRPODTTRGFAM-QWHCGFSZSA-N 0 0 337.395 3.255 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000304418048 308756792 /nfs/dbraw/zinc/75/67/92/308756792.db2.gz RCGNIWBVMLMKEN-MRXNPFEDSA-N 0 0 342.823 3.094 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCC[C@H](CO)C1 ZINC000311320907 308764271 /nfs/dbraw/zinc/76/42/71/308764271.db2.gz CAYLFTQYNRVBQI-GXSJLCMTSA-N 0 0 329.194 3.320 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCC[C@@H](CO)C1 ZINC000311320908 308764277 /nfs/dbraw/zinc/76/42/77/308764277.db2.gz CAYLFTQYNRVBQI-KOLCDFICSA-N 0 0 329.194 3.320 10 5 EGBERN CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331292054 308803885 /nfs/dbraw/zinc/80/38/85/308803885.db2.gz BOQWKQOOXRPRHN-HIFRSBDPSA-N 0 0 334.416 3.125 10 5 EGBERN CC(C)Oc1cc(C(=O)N(C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000411568809 308944411 /nfs/dbraw/zinc/94/44/11/308944411.db2.gz CGFPUIQNKCNWAF-AWEZNQCLSA-N 0 0 336.388 3.023 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000412778561 309002239 /nfs/dbraw/zinc/00/22/39/309002239.db2.gz JADSZFGXMXGRDC-SECBINFHSA-N 0 0 328.315 3.457 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413206875 309021511 /nfs/dbraw/zinc/02/15/11/309021511.db2.gz QFJNFJUOTANBAO-HUUCEWRRSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1ccncc1CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413261009 309024037 /nfs/dbraw/zinc/02/40/37/309024037.db2.gz FVTOFGGWZVIQSV-UHFFFAOYSA-N 0 0 326.278 3.348 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)COC(C)C ZINC000416009975 309154480 /nfs/dbraw/zinc/15/44/80/309154480.db2.gz GJMASNPJOFPSPK-UHFFFAOYSA-N 0 0 328.796 3.490 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416042715 309155986 /nfs/dbraw/zinc/15/59/86/309155986.db2.gz GKNFYJHICUTDBM-GFCCVEGCSA-N 0 0 336.294 3.313 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000417048772 309190990 /nfs/dbraw/zinc/19/09/90/309190990.db2.gz XUUHFPHWDCTLSS-MRXNPFEDSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000419032055 309259724 /nfs/dbraw/zinc/25/97/24/309259724.db2.gz VXYNCQNORQQUQY-LBPRGKRZSA-N 0 0 346.362 3.067 10 5 EGBERN O=C([C@H]1CC12CC2)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000421433839 309324519 /nfs/dbraw/zinc/32/45/19/309324519.db2.gz SIWTZMXMVOBMTC-LLVKDONJSA-N 0 0 328.290 3.286 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CC23CC3)cc(Br)cc1[N+](=O)[O-] ZINC000421543333 309329087 /nfs/dbraw/zinc/32/90/87/309329087.db2.gz XPPUOJHBMUMRPT-VIFPVBQESA-N 0 0 325.162 3.404 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2CC1(C(F)(F)F)C2 ZINC000421566508 309330005 /nfs/dbraw/zinc/33/00/05/309330005.db2.gz ZIEWEKJWZDGFHO-UHFFFAOYSA-N 0 0 328.290 3.379 10 5 EGBERN Cc1cc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC000421574578 309330333 /nfs/dbraw/zinc/33/03/33/309330333.db2.gz GRYYPDKFVJDWSZ-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421664751 309333468 /nfs/dbraw/zinc/33/34/68/309333468.db2.gz RJWSJLRCUHJCHY-SGMGOOAPSA-N 0 0 338.429 3.149 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000421664132 309333497 /nfs/dbraw/zinc/33/34/97/309333497.db2.gz ASEFZIZGWFVJFW-WCQYABFASA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421672631 309334012 /nfs/dbraw/zinc/33/40/12/309334012.db2.gz VBORJTAFBYIOOB-MNOVXSKESA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000421675271 309334158 /nfs/dbraw/zinc/33/41/58/309334158.db2.gz JBTRQXXKHPZJBX-KBPBESRZSA-N 0 0 336.388 3.069 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425675218 309490159 /nfs/dbraw/zinc/49/01/59/309490159.db2.gz QWWYQCCMTWCJAZ-DIYOJNKTSA-N 0 0 340.177 3.277 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000428668175 309558149 /nfs/dbraw/zinc/55/81/49/309558149.db2.gz YNFVNZTXPDUWLC-QAPCUYQASA-N 0 0 345.374 3.324 10 5 EGBERN Cc1c(NC(=O)c2cscn2)cc(Br)cc1[N+](=O)[O-] ZINC000431259542 309628526 /nfs/dbraw/zinc/62/85/26/309628526.db2.gz PHEOOKNDZCNZPW-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000432329603 309657593 /nfs/dbraw/zinc/65/75/93/309657593.db2.gz RJAYSLBZHHQTSX-SNVBAGLBSA-N 0 0 344.820 3.201 10 5 EGBERN Cc1ccnc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)n1 ZINC000432689903 309666092 /nfs/dbraw/zinc/66/60/92/309666092.db2.gz MGKNRLOIOGDSEZ-UHFFFAOYSA-N 0 0 349.253 3.012 10 5 EGBERN CC(C)Oc1cc(NCc2csc([N+](=O)[O-])c2)ccc1C(N)=O ZINC000432703648 309666199 /nfs/dbraw/zinc/66/61/99/309666199.db2.gz MDJYCIKTANHLGL-UHFFFAOYSA-N 0 0 335.385 3.155 10 5 EGBERN CC(C)n1cc2c(n1)C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000434943720 309722530 /nfs/dbraw/zinc/72/25/30/309722530.db2.gz RHWCVVWVCLIZAG-GFCCVEGCSA-N 0 0 335.795 3.390 10 5 EGBERN Cc1nc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccc2o1 ZINC000435467763 309733667 /nfs/dbraw/zinc/73/36/67/309733667.db2.gz KMFNWEOSDFHKCX-UHFFFAOYSA-N 0 0 341.323 3.370 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nc1 ZINC000435616753 309736521 /nfs/dbraw/zinc/73/65/21/309736521.db2.gz MZKWIWREVSMAEG-LBPRGKRZSA-N 0 0 341.367 3.368 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000436220625 309749908 /nfs/dbraw/zinc/74/99/08/309749908.db2.gz OCIHDHMRXCNJSH-CHWSQXEVSA-N 0 0 336.436 3.394 10 5 EGBERN CCc1ccc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000438504889 309815652 /nfs/dbraw/zinc/81/56/52/309815652.db2.gz YJUSMZAGVNCZIX-SFHVURJKSA-N 0 0 334.416 3.218 10 5 EGBERN COC[C@H]1CCCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000438949795 309822949 /nfs/dbraw/zinc/82/29/49/309822949.db2.gz CTBLGNKRRBTSPS-LBPRGKRZSA-N 0 0 340.807 3.445 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000438953216 309823070 /nfs/dbraw/zinc/82/30/70/309823070.db2.gz ZDHHTSZGSUUVJM-NWDGAFQWSA-N 0 0 338.791 3.055 10 5 EGBERN Cc1c(Cc2noc(CN3[C@H](C)CC[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210649 309897274 /nfs/dbraw/zinc/89/72/74/309897274.db2.gz BDIVPWGUQNRAKJ-VXGBXAGGSA-N 0 0 330.388 3.250 10 5 EGBERN C[C@H]1CCCC[C@@H]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774758 309907899 /nfs/dbraw/zinc/90/78/99/309907899.db2.gz SIMAMTFGXYSCBP-DZGCQCFKSA-N 0 0 340.445 3.231 10 5 EGBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000445978176 309952682 /nfs/dbraw/zinc/95/26/82/309952682.db2.gz SEPMDMOBIKKAJT-RBSFLKMASA-N 0 0 349.431 3.125 10 5 EGBERN CCOC(=O)c1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000447329646 309977412 /nfs/dbraw/zinc/97/74/12/309977412.db2.gz MTANFBWFPKWTFJ-MRVPVSSYSA-N 0 0 339.398 3.476 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCOc4c(F)cccc43)nc2c1 ZINC000447669525 309985519 /nfs/dbraw/zinc/98/55/19/309985519.db2.gz GKZNWPVZCLGDMH-ZDUSSCGKSA-N 0 0 342.330 3.358 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCC(F)(F)C1 ZINC000450154503 310106151 /nfs/dbraw/zinc/10/61/51/310106151.db2.gz CKZMXBAEWLOCBE-LBPRGKRZSA-N 0 0 340.326 3.252 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450604403 310132548 /nfs/dbraw/zinc/13/25/48/310132548.db2.gz WDHLWJBYDNSSKH-IPYPFGDCSA-N 0 0 337.383 3.408 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000450738662 310140255 /nfs/dbraw/zinc/14/02/55/310140255.db2.gz OVKXDCJXERZKEE-SJCJKPOMSA-N 0 0 347.415 3.343 10 5 EGBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450878150 310147335 /nfs/dbraw/zinc/14/73/35/310147335.db2.gz UWJCGVSHLYAWGR-NSHDSACASA-N 0 0 331.338 3.224 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866429 310201046 /nfs/dbraw/zinc/20/10/46/310201046.db2.gz BJGGELKWBUVECE-QWHCGFSZSA-N 0 0 345.365 3.472 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000452193073 310217895 /nfs/dbraw/zinc/21/78/95/310217895.db2.gz SNUXAVWFZOCYFG-ZDUSSCGKSA-N 0 0 346.362 3.217 10 5 EGBERN CC(F)(F)CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452197188 310218198 /nfs/dbraw/zinc/21/81/98/310218198.db2.gz BFWKSVPHKBSVRJ-UHFFFAOYSA-N 0 0 338.257 3.361 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000452474723 310229389 /nfs/dbraw/zinc/22/93/89/310229389.db2.gz ISZLGPPVUAGOHN-CYBMUJFWSA-N 0 0 347.396 3.016 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)n1 ZINC000452509729 310230739 /nfs/dbraw/zinc/23/07/39/310230739.db2.gz JURJDFYONCBIIA-UWVGGRQHSA-N 0 0 348.325 3.052 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000452834584 310244498 /nfs/dbraw/zinc/24/44/98/310244498.db2.gz BMZSYXQGRBGNEC-YOEHRIQHSA-N 0 0 339.395 3.500 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000452883396 310247219 /nfs/dbraw/zinc/24/72/19/310247219.db2.gz KYPYAZFIRPFOMW-YVEFUNNKSA-N 0 0 345.399 3.257 10 5 EGBERN COC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCC1 ZINC000453226710 310265395 /nfs/dbraw/zinc/26/53/95/310265395.db2.gz AELPPIUCBCDYFV-UHFFFAOYSA-N 0 0 330.344 3.029 10 5 EGBERN Cc1ncc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)s1 ZINC000453229352 310265545 /nfs/dbraw/zinc/26/55/45/310265545.db2.gz CEOHUJNQGYRRQP-UHFFFAOYSA-N 0 0 343.368 3.435 10 5 EGBERN CCc1cnc(CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000454570908 310317406 /nfs/dbraw/zinc/31/74/06/310317406.db2.gz DREPLIMPDSOEKA-NSHDSACASA-N 0 0 348.428 3.217 10 5 EGBERN CCCc1ncc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)o1 ZINC000455359676 310357379 /nfs/dbraw/zinc/35/73/79/310357379.db2.gz OBEMSGHVIULIGV-UHFFFAOYSA-N 0 0 348.359 3.256 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456094331 310388261 /nfs/dbraw/zinc/38/82/61/310388261.db2.gz HDKHUHDQVPOJRD-OIISXLGYSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000456097023 310388370 /nfs/dbraw/zinc/38/83/70/310388370.db2.gz INBIPSUWYICDSL-FVQBIDKESA-N 0 0 332.400 3.059 10 5 EGBERN C[C@@]12CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000456096418 310388376 /nfs/dbraw/zinc/38/83/76/310388376.db2.gz KJVNJKQHMMQAHG-QZNHQWIBSA-N 0 0 342.395 3.034 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000456795734 310422869 /nfs/dbraw/zinc/42/28/69/310422869.db2.gz GFPNRXVJRGRDSS-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)C(C)(C)O ZINC000456806441 310423257 /nfs/dbraw/zinc/42/32/57/310423257.db2.gz YDNRQEAUIRFAHT-UHFFFAOYSA-N 0 0 328.796 3.084 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000456807295 310423323 /nfs/dbraw/zinc/42/33/23/310423323.db2.gz ZPRGYLFHVKLTSV-NWDGAFQWSA-N 0 0 343.383 3.499 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000457023180 310432915 /nfs/dbraw/zinc/43/29/15/310432915.db2.gz DGTONCXUKAJRED-LBPRGKRZSA-N 0 0 338.429 3.205 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000457844485 310475033 /nfs/dbraw/zinc/47/50/33/310475033.db2.gz DJVSAHKLWJHXIX-KGLIPLIRSA-N 0 0 335.404 3.114 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000462484899 310600442 /nfs/dbraw/zinc/60/04/42/310600442.db2.gz BAOBDIPRMCXDIW-HUUCEWRRSA-N 0 0 338.429 3.150 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCn3c(cc4ccccc43)C2)cc1 ZINC000463424333 310612332 /nfs/dbraw/zinc/61/23/32/310612332.db2.gz NDMKUGMPBSHAFL-UHFFFAOYSA-N 0 0 337.379 3.444 10 5 EGBERN COC(=O)c1cc(NCc2cccc3c2OCO3)cc(C)c1[N+](=O)[O-] ZINC000474771135 310799103 /nfs/dbraw/zinc/79/91/03/310799103.db2.gz AVLNYMUSCZPXKF-UHFFFAOYSA-N 0 0 344.323 3.031 10 5 EGBERN Cc1cc(N2CCO[C@@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000477808170 310849659 /nfs/dbraw/zinc/84/96/59/310849659.db2.gz ZFVVPOCGDYQHNQ-QGZVFWFLSA-N 0 0 328.368 3.187 10 5 EGBERN CC(C)[C@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000480464362 310895034 /nfs/dbraw/zinc/89/50/34/310895034.db2.gz VSJQEGAIJWVEHH-OAHLLOKOSA-N 0 0 326.343 3.309 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000480642629 310898270 /nfs/dbraw/zinc/89/82/70/310898270.db2.gz DPSQLMGDGFCEMH-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN C[C@@](O)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000481356875 310911509 /nfs/dbraw/zinc/91/15/09/310911509.db2.gz DBBJMXXHGKNFMO-GOSISDBHSA-N 0 0 346.383 3.402 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC[C@H](C(C)C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486873371 311001070 /nfs/dbraw/zinc/00/10/70/311001070.db2.gz RUELNGKMZXGCJH-LBPRGKRZSA-N 0 0 349.387 3.200 10 5 EGBERN COc1cc(C)cc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000487148145 311012354 /nfs/dbraw/zinc/01/23/54/311012354.db2.gz GNYRZXLJPTVMBD-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN CCc1cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)oc1CC ZINC000487231862 311017112 /nfs/dbraw/zinc/01/71/12/311017112.db2.gz MWIZRMSRPHEKAD-UHFFFAOYSA-N 0 0 332.356 3.251 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000488068665 311049808 /nfs/dbraw/zinc/04/98/08/311049808.db2.gz BGDYWHMEKIASHA-OXJNMPFZSA-N 0 0 349.390 3.143 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cc3ccccc3n(C)c2=O)n1 ZINC000488669071 311074364 /nfs/dbraw/zinc/07/43/64/311074364.db2.gz BUYRAKLFYJGFDX-UHFFFAOYSA-N 0 0 338.367 3.071 10 5 EGBERN Cc1ccc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc1[N+](=O)[O-] ZINC000488933785 311085473 /nfs/dbraw/zinc/08/54/73/311085473.db2.gz DEAJVYCLMSORAK-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc([N+](=O)[O-])c1 ZINC000488945623 311085956 /nfs/dbraw/zinc/08/59/56/311085956.db2.gz WIVMBMIPKQKUPI-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000497001398 311799435 /nfs/dbraw/zinc/79/94/35/311799435.db2.gz LWDNMOKGHVGFKD-GFCCVEGCSA-N 0 0 343.383 3.006 10 5 EGBERN CCCCN(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000509114479 312109648 /nfs/dbraw/zinc/10/96/48/312109648.db2.gz XFKKJDLHLWXKFR-UHFFFAOYSA-N 0 0 336.779 3.414 10 5 EGBERN Cc1cc(OCC(=O)NC[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000509922751 312129299 /nfs/dbraw/zinc/12/92/99/312129299.db2.gz FUCRYMQIGBZBKU-RDJZCZTQSA-N 0 0 340.379 3.202 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000511471803 312161333 /nfs/dbraw/zinc/16/13/33/312161333.db2.gz CQBJEMZFNSCHBM-MSOLQXFVSA-N 0 0 339.395 3.335 10 5 EGBERN C[C@H]1CCCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512175252 312177803 /nfs/dbraw/zinc/17/78/03/312177803.db2.gz NNMHZTQSAYRLTD-NSHDSACASA-N 0 0 325.796 3.451 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc3n(n2)CCCC3)o1 ZINC000513101281 312201639 /nfs/dbraw/zinc/20/16/39/312201639.db2.gz QBMJOXQNEOTTKK-UHFFFAOYSA-N 0 0 338.367 3.422 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000514183723 312226703 /nfs/dbraw/zinc/22/67/03/312226703.db2.gz XHQAMLQJPRROHH-UISBYWKRSA-N 0 0 343.305 3.035 10 5 EGBERN C[C@@]1(c2ccccc2)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000515981261 312304089 /nfs/dbraw/zinc/30/40/89/312304089.db2.gz UCXPQXVEDWZXFB-SFHVURJKSA-N 0 0 338.367 3.223 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000517144640 312365330 /nfs/dbraw/zinc/36/53/30/312365330.db2.gz MYIUSMIYCSKQDJ-XWIAVFTESA-N 0 0 340.379 3.456 10 5 EGBERN COc1cc(NCCNc2c(OC)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000518396467 312415329 /nfs/dbraw/zinc/41/53/29/312415329.db2.gz FYRQAYZIPQHDPH-UHFFFAOYSA-N 0 0 347.371 3.145 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC(C)(C)C1 ZINC000519589279 312462848 /nfs/dbraw/zinc/46/28/48/312462848.db2.gz OWOCHGXUABAKNR-UHFFFAOYSA-N 0 0 334.372 3.017 10 5 EGBERN CCC1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000519996367 312490388 /nfs/dbraw/zinc/49/03/88/312490388.db2.gz BMDBUPUIFHLOGK-UHFFFAOYSA-N 0 0 332.447 3.151 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000520953069 312525384 /nfs/dbraw/zinc/52/53/84/312525384.db2.gz PNBUROVUPHDKAL-CXAGYDPISA-N 0 0 342.399 3.186 10 5 EGBERN Cn1ncc2c1nccc2NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521233348 312538126 /nfs/dbraw/zinc/53/81/26/312538126.db2.gz GJFKVBZWRXXRFW-UHFFFAOYSA-N 0 0 336.355 3.012 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc2ccccc2n1 ZINC000522288304 312585496 /nfs/dbraw/zinc/58/54/96/312585496.db2.gz AUNZUBNVVVQFGG-UHFFFAOYSA-N 0 0 336.351 3.142 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccccn1 ZINC000524272208 312651622 /nfs/dbraw/zinc/65/16/22/312651622.db2.gz RDSSVLVVDWYHBX-KRWDZBQOSA-N 0 0 336.351 3.448 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000524542163 312664468 /nfs/dbraw/zinc/66/44/68/312664468.db2.gz FEROKSVSZZQIEN-NWDGAFQWSA-N 0 0 334.372 3.270 10 5 EGBERN CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000530362862 313524915 /nfs/dbraw/zinc/52/49/15/313524915.db2.gz MALSIUCEMAMCGQ-UHFFFAOYSA-N 0 0 348.399 3.264 10 5 EGBERN COc1cccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531884443 313726312 /nfs/dbraw/zinc/72/63/12/313726312.db2.gz FWNFJUMJNKGZLN-UHFFFAOYSA-N 0 0 329.356 3.301 10 5 EGBERN O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137743 313759401 /nfs/dbraw/zinc/75/94/01/313759401.db2.gz ANRBXBNRXVRFTD-UHFFFAOYSA-N 0 0 335.323 3.381 10 5 EGBERN CC1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000532393226 313793412 /nfs/dbraw/zinc/79/34/12/313793412.db2.gz PRWIMQFJCZORIL-UHFFFAOYSA-N 0 0 340.383 3.478 10 5 EGBERN CCc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532397938 313794075 /nfs/dbraw/zinc/79/40/75/313794075.db2.gz APHJQMPBTNRZIW-UHFFFAOYSA-N 0 0 327.384 3.260 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000535377572 314043173 /nfs/dbraw/zinc/04/31/73/314043173.db2.gz QHLADHDFGLZUTN-OAHLLOKOSA-N 0 0 338.379 3.430 10 5 EGBERN O=[N+]([O-])c1cccc(CCNc2ncnc3cc(Cl)ccc32)c1 ZINC000536150411 314096499 /nfs/dbraw/zinc/09/64/99/314096499.db2.gz HWANRXWGRBSNCB-UHFFFAOYSA-N 0 0 328.759 3.268 10 5 EGBERN CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C1CC1 ZINC000536506906 314118791 /nfs/dbraw/zinc/11/87/91/314118791.db2.gz FPVXNVHCSDQLLE-SNVBAGLBSA-N 0 0 329.360 3.287 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000538683166 314263818 /nfs/dbraw/zinc/26/38/18/314263818.db2.gz CAHJDBVLCAFNMO-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN O=C(N[C@@H]1CC12CCCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540003319 314357383 /nfs/dbraw/zinc/35/73/83/314357383.db2.gz SJWWXPOPUAPXGL-MRXNPFEDSA-N 0 0 329.400 3.385 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000541916935 314505132 /nfs/dbraw/zinc/50/51/32/314505132.db2.gz TXVKYNUCOWYEDO-RDTXWAMCSA-N 0 0 347.415 3.195 10 5 EGBERN COc1ccc(CC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000541940728 314506941 /nfs/dbraw/zinc/50/69/41/314506941.db2.gz YHLUBIAJDZBAGF-UGSOOPFHSA-N 0 0 332.400 3.185 10 5 EGBERN COCCC1(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000542044189 314514668 /nfs/dbraw/zinc/51/46/68/314514668.db2.gz QZQLERZYNQVHBL-UHFFFAOYSA-N 0 0 336.388 3.390 10 5 EGBERN CCOC(=O)CN(Cc1ccccc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000543792195 314656729 /nfs/dbraw/zinc/65/67/29/314656729.db2.gz OVUNWGLAYMOTQX-UHFFFAOYSA-N 0 0 343.383 3.176 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Br)no2)nc1 ZINC000545179804 314739087 /nfs/dbraw/zinc/73/90/87/314739087.db2.gz AKULJOCKKMLHDN-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1-c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000545600099 314772052 /nfs/dbraw/zinc/77/20/52/314772052.db2.gz WUWDMCQSTLEUCM-UHFFFAOYSA-N 0 0 343.270 3.103 10 5 EGBERN O=C(Nc1ccc(F)cc1-n1cccc1)c1ccc([N+](=O)[O-])cn1 ZINC000546756084 314855882 /nfs/dbraw/zinc/85/58/82/314855882.db2.gz MUSHCVHXFWTPCH-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548751392 315042421 /nfs/dbraw/zinc/04/24/21/315042421.db2.gz IMTHVSWZJVPJMY-ZDUSSCGKSA-N 0 0 325.368 3.424 10 5 EGBERN CC(C)(c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000549355976 315088466 /nfs/dbraw/zinc/08/84/66/315088466.db2.gz ZMKIARSVWCXUPP-UHFFFAOYSA-N 0 0 342.277 3.410 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000552170146 315203232 /nfs/dbraw/zinc/20/32/32/315203232.db2.gz JFIROZGCNDCTLU-QWRGUYRKSA-N 0 0 346.305 3.068 10 5 EGBERN CCOC(=O)Cc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000554515009 315326420 /nfs/dbraw/zinc/32/64/20/315326420.db2.gz OFULVOCCNVUPFH-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000554696792 315343173 /nfs/dbraw/zinc/34/31/73/315343173.db2.gz CNYRDGYHKJBBLA-SJCJKPOMSA-N 0 0 343.358 3.335 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC1(F)CCC1 ZINC000554704813 315344142 /nfs/dbraw/zinc/34/41/42/315344142.db2.gz NQFZBLUKNFKWSH-UHFFFAOYSA-N 0 0 348.378 3.200 10 5 EGBERN Cc1ccc(OC[C@H](O)COc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000555564469 315391038 /nfs/dbraw/zinc/39/10/38/315391038.db2.gz LETKOXSYBCZZEI-HNNXBMFYSA-N 0 0 331.368 3.339 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3ccc(OC(F)F)cc3)nc2c1 ZINC000562500048 315842041 /nfs/dbraw/zinc/84/20/41/315842041.db2.gz QETHVMRJFBVFJL-UHFFFAOYSA-N 0 0 348.309 3.149 10 5 EGBERN C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1n1ccnc1 ZINC000563037617 315947387 /nfs/dbraw/zinc/94/73/87/315947387.db2.gz AVVKYFIMBCYLNZ-SUMWQHHRSA-N 0 0 341.415 3.153 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563341521 316001375 /nfs/dbraw/zinc/00/13/75/316001375.db2.gz RDGUISZQOJBMGV-LBPRGKRZSA-N 0 0 344.415 3.449 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000563706361 316058852 /nfs/dbraw/zinc/05/88/52/316058852.db2.gz FLJBXOALKVVGAM-CYBMUJFWSA-N 0 0 347.415 3.037 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000564468676 316157610 /nfs/dbraw/zinc/15/76/10/316157610.db2.gz IPQKIBNLPWNCBS-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565228980 316295216 /nfs/dbraw/zinc/29/52/16/316295216.db2.gz NEMJODPDUVZEON-ZDUSSCGKSA-N 0 0 337.395 3.053 10 5 EGBERN CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537833 316336897 /nfs/dbraw/zinc/33/68/97/316336897.db2.gz ZDAJNUYRBFIAMD-SECBINFHSA-N 0 0 336.335 3.036 10 5 EGBERN CCc1cc(NC(=O)C2(CF)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000566069454 316410785 /nfs/dbraw/zinc/41/07/85/316410785.db2.gz BYLWQMTUBVSFOF-UHFFFAOYSA-N 0 0 331.347 3.206 10 5 EGBERN CC(C)Oc1nc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000570060814 317003018 /nfs/dbraw/zinc/00/30/18/317003018.db2.gz SQOMGRPZAUKMAD-JSGCOSHPSA-N 0 0 337.420 3.010 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000570595099 317079145 /nfs/dbraw/zinc/07/91/45/317079145.db2.gz ZHEYIBZRMLRZNO-VIBAHUMZSA-N 0 0 346.427 3.240 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572368124 317330077 /nfs/dbraw/zinc/33/00/77/317330077.db2.gz URNPCZAWMIWUAK-RNCFNFMXSA-N 0 0 329.784 3.167 10 5 EGBERN CCn1c(SCc2coc(C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000573021585 317425490 /nfs/dbraw/zinc/42/54/90/317425490.db2.gz FBJJFKYRSCUQFG-UHFFFAOYSA-N 0 0 345.384 3.462 10 5 EGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nn1C(C)(C)C ZINC000171445849 323235439 /nfs/dbraw/zinc/23/54/39/323235439.db2.gz DYDZYFYILJQUGK-LLVKDONJSA-N 0 0 342.399 3.446 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1COc2ccccc2C1 ZINC000171446801 323235680 /nfs/dbraw/zinc/23/56/80/323235680.db2.gz DCHUYOPYSVLJCJ-IUODEOHRSA-N 0 0 338.363 3.124 10 5 EGBERN O=C(NC/C=C/c1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171851766 323255008 /nfs/dbraw/zinc/25/50/08/323255008.db2.gz CKVGIBNABRJTDG-QPJJXVBHSA-N 0 0 325.368 3.150 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000350612285 324107527 /nfs/dbraw/zinc/10/75/27/324107527.db2.gz SJHOKNBFBXXPOV-GWCFXTLKSA-N 0 0 335.385 3.410 10 5 EGBERN CC(C)(C)n1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000350925106 324140551 /nfs/dbraw/zinc/14/05/51/324140551.db2.gz OOYKLUPBVAMXLK-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN C[C@@H](c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1)C1CC1 ZINC000351094636 324169281 /nfs/dbraw/zinc/16/92/81/324169281.db2.gz REJSDRYLVGYQLX-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](C4CCC4)C3)co2)cc1 ZINC000411843889 324297145 /nfs/dbraw/zinc/29/71/45/324297145.db2.gz IRBXDJYXBSNZOT-KRWDZBQOSA-N 0 0 343.383 3.251 10 5 EGBERN CO[C@@H]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575907850 324505839 /nfs/dbraw/zinc/50/58/39/324505839.db2.gz VAEXWTBYFBTYNQ-JOYOIKCWSA-N 0 0 346.305 3.159 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578573303 324987281 /nfs/dbraw/zinc/98/72/81/324987281.db2.gz SCYKIJTVCQBCMZ-TZMCWYRMSA-N 0 0 344.415 3.497 10 5 EGBERN COc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)nc1 ZINC000581734841 325387424 /nfs/dbraw/zinc/38/74/24/325387424.db2.gz YFYHTJWNPCIOTK-UHFFFAOYSA-N 0 0 348.384 3.146 10 5 EGBERN CC[C@@H](CSC)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000581852104 325393079 /nfs/dbraw/zinc/39/30/79/325393079.db2.gz RCTPMFLJLWHGOZ-QMMMGPOBSA-N 0 0 336.335 3.485 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1OC1CCC1 ZINC000180794239 455245956 /nfs/dbraw/zinc/24/59/56/455245956.db2.gz YFXAXAFVNROABH-UHFFFAOYSA-N 0 0 341.367 3.038 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000239352706 455260953 /nfs/dbraw/zinc/26/09/53/455260953.db2.gz ADDRCFLZZWZSMI-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)s1 ZINC000241719871 455269867 /nfs/dbraw/zinc/26/98/67/455269867.db2.gz QQLJLMLSRDUHNU-SSDOTTSWSA-N 0 0 347.322 3.177 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000190057265 455275169 /nfs/dbraw/zinc/27/51/69/455275169.db2.gz RNPUPLTZAQVHOK-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN O=C1NC(=O)c2cc([N+](=O)[O-])c(SCc3ccc(Cl)cc3)cc21 ZINC000000093648 452505530 /nfs/dbraw/zinc/50/55/30/452505530.db2.gz BNVKIERHLLFYBP-UHFFFAOYSA-N 0 0 348.767 3.424 10 5 EGBERN Cc1cc2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003193696 452748055 /nfs/dbraw/zinc/74/80/55/452748055.db2.gz UMTKBYPHRKKZAH-UHFFFAOYSA-N 0 0 325.280 3.295 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](CCc1ccccc1)C(F)F ZINC000600700773 460572492 /nfs/dbraw/zinc/57/24/92/460572492.db2.gz NSBHGAOBPJYADB-AWEZNQCLSA-N 0 0 337.326 3.261 10 5 EGBERN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000006347223 452937426 /nfs/dbraw/zinc/93/74/26/452937426.db2.gz JQVGGGLUCDRLSD-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nn1C ZINC000009001728 453240339 /nfs/dbraw/zinc/24/03/39/453240339.db2.gz TVHIIEKPOHDRPH-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000600797944 460609400 /nfs/dbraw/zinc/60/94/00/460609400.db2.gz OQLHWFOWCYYPJI-BJHJDKERSA-N 0 0 338.429 3.252 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000600807082 460610816 /nfs/dbraw/zinc/61/08/16/460610816.db2.gz UTLFDTGPLRKHNY-DLGQBQFBSA-N 0 0 332.356 3.142 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600804715 460611494 /nfs/dbraw/zinc/61/14/94/460611494.db2.gz PARLJZGNSZYBKJ-CQSZACIVSA-N 0 0 340.383 3.091 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cn1 ZINC000600811627 460612415 /nfs/dbraw/zinc/61/24/15/460612415.db2.gz QSLHOBZQZLZJPD-HNNXBMFYSA-N 0 0 347.396 3.249 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000600811128 460612433 /nfs/dbraw/zinc/61/24/33/460612433.db2.gz BJJKPUUBZVBNKH-UHFFFAOYSA-N 0 0 347.321 3.386 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000020537460 453666558 /nfs/dbraw/zinc/66/65/58/453666558.db2.gz JHYZPXRGPLGWJP-NSHDSACASA-N 0 0 343.339 3.249 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000021068516 453671477 /nfs/dbraw/zinc/67/14/77/453671477.db2.gz TVGLTXGGSHTSJJ-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccccc1C ZINC000021092917 453671974 /nfs/dbraw/zinc/67/19/74/453671974.db2.gz GQQVFVORKNIMGR-KRWDZBQOSA-N 0 0 325.324 3.142 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000022555825 453693655 /nfs/dbraw/zinc/69/36/55/453693655.db2.gz HGFPOVNVGJGKAY-WDEREUQCSA-N 0 0 346.305 3.211 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000024311924 453730703 /nfs/dbraw/zinc/73/07/03/453730703.db2.gz YQMOMSTWIVNAIL-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc21 ZINC000025312326 453765528 /nfs/dbraw/zinc/76/55/28/453765528.db2.gz KXUHKJFWZVHTPY-UHFFFAOYSA-N 0 0 330.365 3.113 10 5 EGBERN Cc1csc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184221981 455363919 /nfs/dbraw/zinc/36/39/19/455363919.db2.gz AGVMPMMBHROYFF-RYUDHWBXSA-N 0 0 348.428 3.346 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccccc2)nc1NC1CC1 ZINC000026700598 453804255 /nfs/dbraw/zinc/80/42/55/453804255.db2.gz ZDAUJAPLTGFDMG-AWEZNQCLSA-N 0 0 325.372 3.301 10 5 EGBERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000031546658 453848672 /nfs/dbraw/zinc/84/86/72/453848672.db2.gz YNNRXAVHFXCAPU-BDJLRTHQSA-N 0 0 339.351 3.442 10 5 EGBERN COC(=O)/C=C/c1ccc(Nc2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000066817707 453877133 /nfs/dbraw/zinc/87/71/33/453877133.db2.gz VFNDUPNHQCADOI-FNORWQNLSA-N 0 0 330.344 3.302 10 5 EGBERN CCN(Cc1cccc(F)c1)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000036624909 453928499 /nfs/dbraw/zinc/92/84/99/453928499.db2.gz LFMVJNVABLDXHS-UHFFFAOYSA-N 0 0 345.374 3.462 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067504433 453936346 /nfs/dbraw/zinc/93/63/46/453936346.db2.gz ZITNOUWIGSDCPL-CABCVRRESA-N 0 0 326.352 3.279 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000067941872 453982216 /nfs/dbraw/zinc/98/22/16/453982216.db2.gz IOPPQBVUPVSUQF-SECBINFHSA-N 0 0 330.369 3.332 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055545182 453993308 /nfs/dbraw/zinc/99/33/08/453993308.db2.gz AGNJGFABRQRIET-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCOc4ccccc43)o2)cc1 ZINC000076676259 454025273 /nfs/dbraw/zinc/02/52/73/454025273.db2.gz QQERZXCXULDBMK-UHFFFAOYSA-N 0 0 338.323 3.044 10 5 EGBERN COc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000086969825 454054144 /nfs/dbraw/zinc/05/41/44/454054144.db2.gz PJIWSGLEYNSEMY-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000087035160 454058149 /nfs/dbraw/zinc/05/81/49/454058149.db2.gz NBEOWRSRASDGAT-LBPRGKRZSA-N 0 0 342.351 3.134 10 5 EGBERN COc1ccc(OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000068922458 454066388 /nfs/dbraw/zinc/06/63/88/454066388.db2.gz QXIGIMDJJXOTOT-UHFFFAOYSA-N 0 0 326.308 3.346 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(OCC)cc2)c1[N+](=O)[O-] ZINC000069221354 454087466 /nfs/dbraw/zinc/08/74/66/454087466.db2.gz UHDWGEVNROXFGI-NSHDSACASA-N 0 0 346.387 3.160 10 5 EGBERN COc1ccc(F)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000088226771 454093377 /nfs/dbraw/zinc/09/33/77/454093377.db2.gz XCLCFTPQRJPVIF-UHFFFAOYSA-N 0 0 336.344 3.473 10 5 EGBERN COc1cc(OC)c(CNc2cccc(F)c2[N+](=O)[O-])c(OC)c1 ZINC000057139324 454105394 /nfs/dbraw/zinc/10/53/94/454105394.db2.gz HTOLVSORDWONHP-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN CSc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000057370329 454122054 /nfs/dbraw/zinc/12/20/54/454122054.db2.gz KJEVYSQNYRPUMW-UHFFFAOYSA-N 0 0 346.408 3.402 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000089306453 454135401 /nfs/dbraw/zinc/13/54/01/454135401.db2.gz AFOWMOMYQBPSFL-NSHDSACASA-N 0 0 349.412 3.040 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000045241397 454147554 /nfs/dbraw/zinc/14/75/54/454147554.db2.gz UIAFIJMRBXVUIX-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000057831164 454150578 /nfs/dbraw/zinc/15/05/78/454150578.db2.gz PSGQVXLLQVJGPU-GFCCVEGCSA-N 0 0 340.445 3.403 10 5 EGBERN Cc1nnc([C@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000057840335 454151158 /nfs/dbraw/zinc/15/11/58/454151158.db2.gz VQNCSCILRWCPHC-OAHLLOKOSA-N 0 0 327.319 3.362 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000058163198 454167318 /nfs/dbraw/zinc/16/73/18/454167318.db2.gz YBKKLUMMIFOSLT-GFCCVEGCSA-N 0 0 342.355 3.052 10 5 EGBERN CCc1nn(C)c(NCc2ccccc2OC2CCC2)c1[N+](=O)[O-] ZINC000094162200 454191215 /nfs/dbraw/zinc/19/12/15/454191215.db2.gz XRXVBKXVEBFBGJ-UHFFFAOYSA-N 0 0 330.388 3.434 10 5 EGBERN Cc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000078229972 454212984 /nfs/dbraw/zinc/21/29/84/454212984.db2.gz RBGONOBMMHJQMJ-CQSZACIVSA-N 0 0 328.368 3.409 10 5 EGBERN Cc1nc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(C)s1 ZINC000130913453 454225491 /nfs/dbraw/zinc/22/54/91/454225491.db2.gz QADJHSYZKMDBOW-VIFPVBQESA-N 0 0 331.397 3.188 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000071904831 454251585 /nfs/dbraw/zinc/25/15/85/454251585.db2.gz FKXQZWBSERKYSW-UHFFFAOYSA-N 0 0 338.319 3.102 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2nccc(C)c2[N+](=O)[O-])cs1 ZINC000078475662 454258997 /nfs/dbraw/zinc/25/89/97/454258997.db2.gz CULZWBVBBFMMOC-LLVKDONJSA-N 0 0 336.417 3.489 10 5 EGBERN CN(C)c1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000096008698 454261518 /nfs/dbraw/zinc/26/15/18/454261518.db2.gz YFXJTKNLROBRRD-UHFFFAOYSA-N 0 0 349.778 3.031 10 5 EGBERN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000046864672 454294204 /nfs/dbraw/zinc/29/42/04/454294204.db2.gz YKUHDQSMVQOEJE-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN CC[C@H](NC(=O)NCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090549387 454319926 /nfs/dbraw/zinc/31/99/26/454319926.db2.gz AZSFLSKXJXQERJ-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN O=[N+]([O-])c1cc(CSc2nnnn2Cc2cccs2)cs1 ZINC000047172195 454336097 /nfs/dbraw/zinc/33/60/97/454336097.db2.gz HDNSXFHCYUDKRU-UHFFFAOYSA-N 0 0 339.427 3.045 10 5 EGBERN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccccc1 ZINC000072821842 454346934 /nfs/dbraw/zinc/34/69/34/454346934.db2.gz RCIGWJTVFMCSDD-GFCCVEGCSA-N 0 0 339.351 3.273 10 5 EGBERN CC(=O)CCC(C)(C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000132750554 454363094 /nfs/dbraw/zinc/36/30/94/454363094.db2.gz HCOPOMVUOFSQAA-UHFFFAOYSA-N 0 0 349.431 3.217 10 5 EGBERN O=C(NCc1nccn1C(F)F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097084145 454403346 /nfs/dbraw/zinc/40/33/46/454403346.db2.gz DMNODYBREXFNJK-UHFFFAOYSA-N 0 0 345.693 3.162 10 5 EGBERN Cc1sc(C(=O)NCCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000047924413 454420181 /nfs/dbraw/zinc/42/01/81/454420181.db2.gz COUOXDSJULFQGF-UHFFFAOYSA-N 0 0 345.424 3.147 10 5 EGBERN CC(=O)c1ccc(NCCCc2nc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC000063507488 454420846 /nfs/dbraw/zinc/42/08/46/454420846.db2.gz QSEDTUXOEOOMRQ-UHFFFAOYSA-N 0 0 332.360 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091627569 454450951 /nfs/dbraw/zinc/45/09/51/454450951.db2.gz RUKJXKOOBRHUEU-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN CCC(C)(C)[C@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000133750385 454463388 /nfs/dbraw/zinc/46/33/88/454463388.db2.gz UYXWREXYXZHUBF-CQSZACIVSA-N 0 0 336.436 3.225 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3nnc4ccccn43)CC2)s1 ZINC000064029293 454463830 /nfs/dbraw/zinc/46/38/30/454463830.db2.gz FEMAPXIHAWJGQF-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN CC(C)COC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048260348 454464336 /nfs/dbraw/zinc/46/43/36/454464336.db2.gz FNKODQKHDNGCPL-UHFFFAOYSA-N 0 0 332.404 3.039 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(F)cc3[N+](=O)[O-])c21 ZINC000133930959 454483993 /nfs/dbraw/zinc/48/39/93/454483993.db2.gz OFNCBAKRUBULDY-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1[N+](=O)[O-] ZINC000092198345 454535071 /nfs/dbraw/zinc/53/50/71/454535071.db2.gz XCMRLEPKQWEXJI-KRWDZBQOSA-N 0 0 339.351 3.332 10 5 EGBERN Cc1noc(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375224 454551306 /nfs/dbraw/zinc/55/13/06/454551306.db2.gz XZIJETNHYNYYKA-VHSXEESVSA-N 0 0 329.356 3.281 10 5 EGBERN CC[C@@H](NC(=O)NCc1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000134501669 454551327 /nfs/dbraw/zinc/55/13/27/454551327.db2.gz ZUKKFLFHIOIGTB-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1F ZINC000103377276 454551963 /nfs/dbraw/zinc/55/19/63/454551963.db2.gz MFJBWPFKSWFZSR-LLVKDONJSA-N 0 0 330.315 3.091 10 5 EGBERN COCc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377034 454552025 /nfs/dbraw/zinc/55/20/25/454552025.db2.gz NSKQZYVKQMNPFC-GFCCVEGCSA-N 0 0 326.352 3.333 10 5 EGBERN CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2F)c1C(F)F ZINC000074259173 454552396 /nfs/dbraw/zinc/55/23/96/454552396.db2.gz XGPYCJTVZOJNNF-UHFFFAOYSA-N 0 0 329.234 3.034 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(NC3CC3)s2)c1 ZINC000092583443 454589019 /nfs/dbraw/zinc/58/90/19/454589019.db2.gz PBEGJZUUHBTBIS-UHFFFAOYSA-N 0 0 342.377 3.320 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000092582186 454589126 /nfs/dbraw/zinc/58/91/26/454589126.db2.gz LOBHIMVPRAMNHA-UHFFFAOYSA-N 0 0 347.346 3.126 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCCC[C@@H]32)cc1OC(F)F ZINC000092666121 454604895 /nfs/dbraw/zinc/60/48/95/454604895.db2.gz ZTSOWOHBLVFVSO-AAEUAGOBSA-N 0 0 328.315 3.344 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000123126474 454605723 /nfs/dbraw/zinc/60/57/23/454605723.db2.gz QXSIRWHLAUYDCS-CYBMUJFWSA-N 0 0 343.339 3.249 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050482 454606456 /nfs/dbraw/zinc/60/64/56/454606456.db2.gz COKCLKNUFBKODL-OCCSQVGLSA-N 0 0 339.461 3.173 10 5 EGBERN Cc1cccc(C2=CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)c1 ZINC000092696608 454612428 /nfs/dbraw/zinc/61/24/28/454612428.db2.gz PEVHPGHDLDPDBF-UHFFFAOYSA-N 0 0 335.367 3.240 10 5 EGBERN Cc1nc(CN2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000105797130 454656855 /nfs/dbraw/zinc/65/68/55/454656855.db2.gz PBHRTLQALMLDDK-AWEZNQCLSA-N 0 0 344.415 3.078 10 5 EGBERN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] ZINC000106899554 454729445 /nfs/dbraw/zinc/72/94/45/454729445.db2.gz OJILRPWSZIOKGX-QGZVFWFLSA-N 0 0 339.351 3.332 10 5 EGBERN CC[C@@H](NC(=O)N(CCOC)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176693840 454771992 /nfs/dbraw/zinc/77/19/92/454771992.db2.gz SDFOCAOKHPLCAQ-MRXNPFEDSA-N 0 0 337.420 3.360 10 5 EGBERN Cn1nccc1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000124859678 454777136 /nfs/dbraw/zinc/77/71/36/454777136.db2.gz JXYKLWFXXSSOIU-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000176937828 454801318 /nfs/dbraw/zinc/80/13/18/454801318.db2.gz TZMHCHQSUGQWJB-MFKMUULPSA-N 0 0 327.427 3.356 10 5 EGBERN CN(CCOc1ccccc1F)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153535526 454804156 /nfs/dbraw/zinc/80/41/56/454804156.db2.gz IQLNLANQMBIJTJ-UHFFFAOYSA-N 0 0 325.727 3.298 10 5 EGBERN CO[C@@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000177257949 454844195 /nfs/dbraw/zinc/84/41/95/454844195.db2.gz RBVXEEMPZCIVJT-ZETCQYMHSA-N 0 0 347.249 3.283 10 5 EGBERN COc1cccc(Cl)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000160510482 455467548 /nfs/dbraw/zinc/46/75/48/455467548.db2.gz OJYFVKFOHLSAEB-UHFFFAOYSA-N 0 0 335.747 3.141 10 5 EGBERN CCOc1ccc(C(=O)Nc2c(C)noc2C2CC2)cc1[N+](=O)[O-] ZINC000154099444 454865637 /nfs/dbraw/zinc/86/56/37/454865637.db2.gz TUUCAQHZHCRTFN-UHFFFAOYSA-N 0 0 331.328 3.420 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC000147767538 454866469 /nfs/dbraw/zinc/86/64/69/454866469.db2.gz NEUDWCBTAMKAGQ-HNNXBMFYSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1nc(NC(=O)c2cnc(-c3ccncc3)s2)ccc1[N+](=O)[O-] ZINC000177668425 454889864 /nfs/dbraw/zinc/88/98/64/454889864.db2.gz BHJNSZYYSHYVOZ-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000151126570 454942008 /nfs/dbraw/zinc/94/20/08/454942008.db2.gz KQQOQZCBTDUYAR-UHFFFAOYSA-N 0 0 343.387 3.332 10 5 EGBERN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OC ZINC000114292456 454949361 /nfs/dbraw/zinc/94/93/61/454949361.db2.gz NKCQFESWGIRCSO-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN CC[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000114304632 454950252 /nfs/dbraw/zinc/95/02/52/454950252.db2.gz ABRUVZRNLHWMII-KRWDZBQOSA-N 0 0 325.368 3.448 10 5 EGBERN Cc1sc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000155067943 454960100 /nfs/dbraw/zinc/96/01/00/454960100.db2.gz YQMWGOAPTZWXKS-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(C)cs1 ZINC000151291783 454963991 /nfs/dbraw/zinc/96/39/91/454963991.db2.gz JWVFVQXEPQCOHY-HNNXBMFYSA-N 0 0 334.401 3.118 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CCO2)o1 ZINC000127469475 454968170 /nfs/dbraw/zinc/96/81/70/454968170.db2.gz XOIZEJQXKLJQOE-INIZCTEOSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC(F)F ZINC000114668514 454968202 /nfs/dbraw/zinc/96/82/02/454968202.db2.gz HBQILDBHRBADSB-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000127512385 454972377 /nfs/dbraw/zinc/97/23/77/454972377.db2.gz FUBWAJGRPBINSC-CQSZACIVSA-N 0 0 328.368 3.202 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000115589799 455021704 /nfs/dbraw/zinc/02/17/04/455021704.db2.gz CLOFJUQJRYQDIK-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN CC1(C)CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCO1 ZINC000612546783 460657287 /nfs/dbraw/zinc/65/72/87/460657287.db2.gz VUAGZIKEIREDTJ-UHFFFAOYSA-N 0 0 346.305 3.255 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCC(F)F ZINC000151822052 455035012 /nfs/dbraw/zinc/03/50/12/455035012.db2.gz CWKPMUABZLFHFN-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(OC(F)(F)F)cc2)c1=O ZINC000155801528 455047157 /nfs/dbraw/zinc/04/71/57/455047157.db2.gz JWYBTTSJFIGENF-UHFFFAOYSA-N 0 0 328.246 3.012 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000128592984 455070844 /nfs/dbraw/zinc/07/08/44/455070844.db2.gz IQRXOHWSNJLVNV-HNNXBMFYSA-N 0 0 346.387 3.091 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000152225962 455089113 /nfs/dbraw/zinc/08/91/13/455089113.db2.gz HQLHFRAEYCGROW-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000180117358 455134531 /nfs/dbraw/zinc/13/45/31/455134531.db2.gz BWKCMRNQBBQJRX-QZTJIDSGSA-N 0 0 339.395 3.078 10 5 EGBERN Cc1nc(CS(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180144116 455139460 /nfs/dbraw/zinc/13/94/60/455139460.db2.gz WVBZTHRZSAUTCO-SNVBAGLBSA-N 0 0 340.426 3.344 10 5 EGBERN Cc1cnn(-c2ccncc2NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000156680695 455144089 /nfs/dbraw/zinc/14/40/89/455144089.db2.gz BBIMULSWLOCUPD-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN CC(C)[C@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172441923 455154525 /nfs/dbraw/zinc/15/45/25/455154525.db2.gz YTFLRFJMIPIDSC-CQSZACIVSA-N 0 0 333.432 3.220 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000612572539 460665450 /nfs/dbraw/zinc/66/54/50/460665450.db2.gz OFBHJPHXSKKMAB-UHFFFAOYSA-N 0 0 335.747 3.346 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccccc3)CC2)c1 ZINC000172995232 455218009 /nfs/dbraw/zinc/21/80/09/455218009.db2.gz ZSUUMZCXGMFIEJ-UHFFFAOYSA-N 0 0 339.395 3.302 10 5 EGBERN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000158221520 455281189 /nfs/dbraw/zinc/28/11/89/455281189.db2.gz BKQKCIXYJQCYCE-MRVPVSSYSA-N 0 0 337.767 3.032 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1nc2ccccc2s1 ZINC000612574206 460666810 /nfs/dbraw/zinc/66/68/10/460666810.db2.gz OOZRRXSNTBOOEI-UHFFFAOYSA-N 0 0 330.369 3.210 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCOc3c(C)cccc32)ccc1[N+](=O)[O-] ZINC000190641832 455358804 /nfs/dbraw/zinc/35/88/04/455358804.db2.gz ONKLVKYCUUVMPK-AWEZNQCLSA-N 0 0 342.351 3.165 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000159259404 455365533 /nfs/dbraw/zinc/36/55/33/455365533.db2.gz FXMUEDPZHVELJF-SNVBAGLBSA-N 0 0 348.428 3.099 10 5 EGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000174336338 455380573 /nfs/dbraw/zinc/38/05/73/455380573.db2.gz NSTUHVAQUFHLBY-MRVPVSSYSA-N 0 0 326.324 3.468 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)co2)cc1 ZINC000245836568 455383779 /nfs/dbraw/zinc/38/37/79/455383779.db2.gz HDNFQEWTCWLYPY-IAGOWNOFSA-N 0 0 343.383 3.393 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000184568632 455404785 /nfs/dbraw/zinc/40/47/85/455404785.db2.gz LZEMDDZFIDUZDO-ZDUSSCGKSA-N 0 0 348.321 3.093 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2nccs2)C1 ZINC000175219726 455427366 /nfs/dbraw/zinc/42/73/66/455427366.db2.gz WSFIIYCZXRVPFO-OAHLLOKOSA-N 0 0 349.412 3.024 10 5 EGBERN CC(C)c1nnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000182123885 455440295 /nfs/dbraw/zinc/44/02/95/455440295.db2.gz YWECOQOEEOZBTD-UHFFFAOYSA-N 0 0 344.293 3.445 10 5 EGBERN Cc1cnc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000184754737 455442504 /nfs/dbraw/zinc/44/25/04/455442504.db2.gz LQVZIMQAHLEJBQ-ZETCQYMHSA-N 0 0 325.415 3.263 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000191577476 455498560 /nfs/dbraw/zinc/49/85/60/455498560.db2.gz OUUFLFCSIXOUKO-ZDUSSCGKSA-N 0 0 344.415 3.297 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)cc(Cl)c2)n1 ZINC000191615515 455503878 /nfs/dbraw/zinc/50/38/78/455503878.db2.gz UFHACENYIYHTAH-UHFFFAOYSA-N 0 0 343.170 3.395 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601012162 460674943 /nfs/dbraw/zinc/67/49/43/460674943.db2.gz YZVUURSOSZNVBA-ZWKOTPCHSA-N 0 0 346.427 3.395 10 5 EGBERN CC[C@@H](Nc1ncnc2c1ncn2CC)c1cccc([N+](=O)[O-])c1 ZINC000267208549 455516341 /nfs/dbraw/zinc/51/63/41/455516341.db2.gz BFKSXJISPCYJPC-CYBMUJFWSA-N 0 0 326.360 3.318 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 ZINC000191828337 455523921 /nfs/dbraw/zinc/52/39/21/455523921.db2.gz COKOCXALFNSBQL-BXUZGUMPSA-N 0 0 346.362 3.174 10 5 EGBERN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086891 455531771 /nfs/dbraw/zinc/53/17/71/455531771.db2.gz YJDIJCOVCKBUAG-ZWNOBZJWSA-N 0 0 334.401 3.119 10 5 EGBERN CC[C@H](NC(=O)CCCC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000267321206 455538358 /nfs/dbraw/zinc/53/83/58/455538358.db2.gz VWWBNAUPVAELJI-INIZCTEOSA-N 0 0 349.431 3.201 10 5 EGBERN CCO[C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601017197 460676895 /nfs/dbraw/zinc/67/68/95/460676895.db2.gz XYVDKAKPPOQUGL-MRXNPFEDSA-N 0 0 332.400 3.044 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239435 455577013 /nfs/dbraw/zinc/57/70/13/455577013.db2.gz WSIOUDYIBFYOSB-ATZDWAIDSA-N 0 0 348.443 3.487 10 5 EGBERN CC[C@H](NC(=O)N(C)[C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185599031 455583347 /nfs/dbraw/zinc/58/33/47/455583347.db2.gz MWXYGGJNKGLXIA-HOTGVXAUSA-N 0 0 337.420 3.094 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(c2ccc(O)cc2)CC1 ZINC000247298647 455585043 /nfs/dbraw/zinc/58/50/43/455585043.db2.gz DKEQGERYJHIYFA-UHFFFAOYSA-N 0 0 332.381 3.382 10 5 EGBERN CC(C)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271329863 455599545 /nfs/dbraw/zinc/59/95/45/455599545.db2.gz ATBLKSJGSXZDIR-ZDUSSCGKSA-N 0 0 336.779 3.109 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247968376 455662005 /nfs/dbraw/zinc/66/20/05/455662005.db2.gz FDOQRLDEEQDNMO-CJNGLKHVSA-N 0 0 345.424 3.140 10 5 EGBERN COc1cc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])cc1F ZINC000268398422 455671988 /nfs/dbraw/zinc/67/19/88/455671988.db2.gz OVWPOQXVLYEGGS-CQSZACIVSA-N 0 0 338.360 3.382 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000186030046 455680091 /nfs/dbraw/zinc/68/00/91/455680091.db2.gz ADUDHQIOKBGZCP-SNVBAGLBSA-N 0 0 349.412 3.292 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277861594 455689095 /nfs/dbraw/zinc/68/90/95/455689095.db2.gz ALFSJRRCWDYTQR-SECBINFHSA-N 0 0 347.293 3.410 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000268487400 455696413 /nfs/dbraw/zinc/69/64/13/455696413.db2.gz MWBKPFOANOJQOO-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN CC[C@H](C)[C@@H](O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277999043 455730341 /nfs/dbraw/zinc/73/03/41/455730341.db2.gz HLYDADKSBSNHJV-SJCJKPOMSA-N 0 0 338.407 3.230 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000193216834 455747639 /nfs/dbraw/zinc/74/76/39/455747639.db2.gz AKLOBWJKVDLWMN-UHFFFAOYSA-N 0 0 342.355 3.145 10 5 EGBERN COc1ccc(CNCc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186413336 455763097 /nfs/dbraw/zinc/76/30/97/455763097.db2.gz HNTRZPIUHSYGCX-UHFFFAOYSA-N 0 0 349.387 3.196 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296274344 455896938 /nfs/dbraw/zinc/89/69/38/455896938.db2.gz MKWZFKABLXPSBU-ZYHUDNBSSA-N 0 0 345.321 3.467 10 5 EGBERN CCOc1cccc([C@H](CC)OC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000272434991 455949261 /nfs/dbraw/zinc/94/92/61/455949261.db2.gz PXAQMIDIPUSLFN-AWEZNQCLSA-N 0 0 333.344 3.035 10 5 EGBERN CNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000187858609 455962825 /nfs/dbraw/zinc/96/28/25/455962825.db2.gz RLJJGAGPWBTCPX-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1cccnc1CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296582764 455980196 /nfs/dbraw/zinc/98/01/96/455980196.db2.gz TXAUHSINUHVOFW-AWEZNQCLSA-N 0 0 342.399 3.210 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCC1(c2ccc(F)cc2)CCOCC1 ZINC000601106255 460711639 /nfs/dbraw/zinc/71/16/39/460711639.db2.gz OGEVDVKOFXEFCL-UHFFFAOYSA-N 0 0 349.337 3.428 10 5 EGBERN Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301274310 456078563 /nfs/dbraw/zinc/07/85/63/456078563.db2.gz YITIVDFRXDAPBH-HUUCEWRRSA-N 0 0 328.372 3.076 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000280910146 456078800 /nfs/dbraw/zinc/07/88/00/456078800.db2.gz AGIAJPJWEXQUPB-AQMVCYDESA-N 0 0 344.415 3.237 10 5 EGBERN COC(=O)Nc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000301285249 456080915 /nfs/dbraw/zinc/08/09/15/456080915.db2.gz QHQRRZKZTKWTLJ-UHFFFAOYSA-N 0 0 336.735 3.434 10 5 EGBERN O=[N+]([O-])c1cnc(NCCN2CCc3sccc3C2)c(Cl)c1 ZINC000301290493 456082022 /nfs/dbraw/zinc/08/20/22/456082022.db2.gz UBTUSZJAJRWFKG-UHFFFAOYSA-N 0 0 338.820 3.175 10 5 EGBERN COC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301473669 456124060 /nfs/dbraw/zinc/12/40/60/456124060.db2.gz REYURDAQGVDICT-VIFPVBQESA-N 0 0 332.278 3.003 10 5 EGBERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cccc(O)c1 ZINC000601111084 460714703 /nfs/dbraw/zinc/71/47/03/460714703.db2.gz MWUXMNCHXCBYKR-ZETCQYMHSA-N 0 0 330.266 3.226 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000281114305 456138207 /nfs/dbraw/zinc/13/82/07/456138207.db2.gz GRQXVAMTMPVOSW-UHFFFAOYSA-N 0 0 339.200 3.076 10 5 EGBERN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577131 456150368 /nfs/dbraw/zinc/15/03/68/456150368.db2.gz ZFBHCXNBAPRMMH-SNVBAGLBSA-N 0 0 343.225 3.039 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301582571 456152940 /nfs/dbraw/zinc/15/29/40/456152940.db2.gz AADWMNITEZCURB-LBPRGKRZSA-N 0 0 331.347 3.433 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301611811 456162740 /nfs/dbraw/zinc/16/27/40/456162740.db2.gz FCCQVOYNGFIEOY-LLVKDONJSA-N 0 0 331.328 3.276 10 5 EGBERN CCc1cnc(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])s1 ZINC000301620452 456165060 /nfs/dbraw/zinc/16/50/60/456165060.db2.gz MNCRIASBMDHSBI-UHFFFAOYSA-N 0 0 325.365 3.416 10 5 EGBERN COC[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188969750 456185584 /nfs/dbraw/zinc/18/55/84/456185584.db2.gz OFUKTXYZDGSJQI-CYBMUJFWSA-N 0 0 344.367 3.395 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2nc(C)c(C)s2)c1 ZINC000301684790 456186101 /nfs/dbraw/zinc/18/61/01/456186101.db2.gz VAYOPIMTCPSRHY-UHFFFAOYSA-N 0 0 325.365 3.470 10 5 EGBERN CCOC(=O)c1cc(NCc2nc(C)sc2C)ccc1[N+](=O)[O-] ZINC000301845668 456231368 /nfs/dbraw/zinc/23/13/68/456231368.db2.gz SZVFBYUANMQDEJ-UHFFFAOYSA-N 0 0 335.385 3.457 10 5 EGBERN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301857058 456233917 /nfs/dbraw/zinc/23/39/17/456233917.db2.gz ZLUWTGOIQQFXBR-DOTOQJQBSA-N 0 0 342.355 3.360 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000301901459 456245843 /nfs/dbraw/zinc/24/58/43/456245843.db2.gz VPJHCKNNBGYTLZ-OAHLLOKOSA-N 0 0 329.356 3.078 10 5 EGBERN COc1cc(CCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000263885733 456254605 /nfs/dbraw/zinc/25/46/05/456254605.db2.gz HZQDCGNYYBBLQM-UHFFFAOYSA-N 0 0 344.367 3.208 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccc(F)cc4F)CC3)nn21 ZINC000301955418 456258165 /nfs/dbraw/zinc/25/81/65/456258165.db2.gz KOOHMVXYYHAZBD-UHFFFAOYSA-N 0 0 345.309 3.059 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342886190 456293693 /nfs/dbraw/zinc/29/36/93/456293693.db2.gz GLJXEEVXCWYWTF-CQSZACIVSA-N 0 0 335.363 3.363 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(F)ccc3C2)c1 ZINC000302169982 456306171 /nfs/dbraw/zinc/30/61/71/456306171.db2.gz LWQMSQMBNDUZNF-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342951658 456334125 /nfs/dbraw/zinc/33/41/25/456334125.db2.gz VLJSTPMEIAVICM-DANNLKNASA-N 0 0 349.431 3.405 10 5 EGBERN COCCC1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCC1 ZINC000302355694 456336039 /nfs/dbraw/zinc/33/60/39/456336039.db2.gz BHBXIXLKTXSTDZ-UHFFFAOYSA-N 0 0 333.392 3.036 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000302671395 456371905 /nfs/dbraw/zinc/37/19/05/456371905.db2.gz KPUFKMJEQRDLNQ-LBPRGKRZSA-N 0 0 349.822 3.371 10 5 EGBERN COC1CCC(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347795181 456372288 /nfs/dbraw/zinc/37/22/88/456372288.db2.gz GUXLIYZTULGOQR-LKSINWNRSA-N 0 0 338.379 3.159 10 5 EGBERN C[C@](CO)(NCc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149377 460731958 /nfs/dbraw/zinc/73/19/58/460731958.db2.gz MLBPIUKGYISTCQ-MRXNPFEDSA-N 0 0 338.766 3.385 10 5 EGBERN C[C@@](CO)(NCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149527 460732669 /nfs/dbraw/zinc/73/26/69/460732669.db2.gz NPLYBLSQMYZURA-INIZCTEOSA-N 0 0 340.301 3.009 10 5 EGBERN O=C(NCCc1ccsc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298321944 456423855 /nfs/dbraw/zinc/42/38/55/456423855.db2.gz WNMPVGLNXLVMCW-UHFFFAOYSA-N 0 0 345.424 3.229 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2cc(F)c(F)cc21 ZINC000343161506 456443420 /nfs/dbraw/zinc/44/34/20/456443420.db2.gz GRTWMDRAUPAVCG-UHFFFAOYSA-N 0 0 347.321 3.264 10 5 EGBERN Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(-c2ccccn2)n1 ZINC000343227162 456466281 /nfs/dbraw/zinc/46/62/81/456466281.db2.gz SZYBBTVLZHNFGA-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN CC(C)(C)C(C)(C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000340470921 456479014 /nfs/dbraw/zinc/47/90/14/456479014.db2.gz SFASEAUAPYEIMH-LBPRGKRZSA-N 0 0 334.420 3.075 10 5 EGBERN O=C(CSc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCC2 ZINC000337749298 456522005 /nfs/dbraw/zinc/52/20/05/456522005.db2.gz IDZQHILXYDGLJG-UHFFFAOYSA-N 0 0 335.410 3.271 10 5 EGBERN Cc1noc(CCCNc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000340607832 456568064 /nfs/dbraw/zinc/56/80/64/456568064.db2.gz PHZNBJWLBWSSPN-UHFFFAOYSA-N 0 0 341.165 3.093 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1OC ZINC000340612831 456570994 /nfs/dbraw/zinc/57/09/94/456570994.db2.gz RISYOQFDMXYCIR-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN Cn1ccnc1[C@@H](NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348314418 456616206 /nfs/dbraw/zinc/61/62/06/456616206.db2.gz BHXXWCNSHSUOMO-HNNXBMFYSA-N 0 0 332.379 3.290 10 5 EGBERN CN(Cc1ccco1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348455802 456694101 /nfs/dbraw/zinc/69/41/01/456694101.db2.gz ZGVHWJBSQIGSEU-UHFFFAOYSA-N 0 0 328.246 3.479 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000338207621 456707361 /nfs/dbraw/zinc/70/73/61/456707361.db2.gz OSHHKRKGPFWAFZ-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCc4ccccc4C3)cc2N1 ZINC000328405973 456712171 /nfs/dbraw/zinc/71/21/71/456712171.db2.gz PURGQRLMOVIWSB-HNNXBMFYSA-N 0 0 337.379 3.449 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000299508894 456713998 /nfs/dbraw/zinc/71/39/98/456713998.db2.gz AYYMKVCKEVAQRQ-QGZVFWFLSA-N 0 0 339.395 3.294 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277283250 456758695 /nfs/dbraw/zinc/75/86/95/456758695.db2.gz AFMWWVLRPWVMHG-NSHDSACASA-N 0 0 345.321 3.198 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2ccc(Cl)cc2)CC1 ZINC000301146572 456807800 /nfs/dbraw/zinc/80/78/00/456807800.db2.gz KAUILPZLAJCJOF-UHFFFAOYSA-N 0 0 345.786 3.491 10 5 EGBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000301149322 456808024 /nfs/dbraw/zinc/80/80/24/456808024.db2.gz CIEBYGODPMIHIO-NSHDSACASA-N 0 0 329.331 3.124 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277416471 456817639 /nfs/dbraw/zinc/81/76/39/456817639.db2.gz KVQRKDHOMWYSSF-GFCCVEGCSA-N 0 0 345.321 3.121 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301202548 456820990 /nfs/dbraw/zinc/82/09/90/456820990.db2.gz QTMWPCSZXKMXGE-CQSZACIVSA-N 0 0 341.367 3.072 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341304955 456837882 /nfs/dbraw/zinc/83/78/82/456837882.db2.gz PJBSPGMWZIQKSA-LLVKDONJSA-N 0 0 327.340 3.044 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341327697 456849147 /nfs/dbraw/zinc/84/91/47/456849147.db2.gz UKJOFWDPXQIFSM-FUHWJXTLSA-N 0 0 344.342 3.203 10 5 EGBERN O=C1CCc2cccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C1 ZINC000353761147 456895002 /nfs/dbraw/zinc/89/50/02/456895002.db2.gz LOXRXJBOSCQVNJ-UHFFFAOYSA-N 0 0 335.319 3.370 10 5 EGBERN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000339008958 456898702 /nfs/dbraw/zinc/89/87/02/456898702.db2.gz DLXQRBVLPMUOMM-QGZVFWFLSA-N 0 0 344.411 3.380 10 5 EGBERN CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339014225 456901428 /nfs/dbraw/zinc/90/14/28/456901428.db2.gz RFLRYMCAEJHAPV-IBGZPJMESA-N 0 0 344.411 3.320 10 5 EGBERN C[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000341711156 456909497 /nfs/dbraw/zinc/90/94/97/456909497.db2.gz CPRIBAOFPRAKCR-IUCAKERBSA-N 0 0 343.177 3.111 10 5 EGBERN CC1(C)CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000341717689 456913059 /nfs/dbraw/zinc/91/30/59/456913059.db2.gz FISFROJCUJFCMQ-LLVKDONJSA-N 0 0 343.177 3.253 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341737242 456921935 /nfs/dbraw/zinc/92/19/35/456921935.db2.gz PLLIYEUDYGIDOC-UHFFFAOYSA-N 0 0 338.323 3.336 10 5 EGBERN CC(C)Oc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000341771756 456936476 /nfs/dbraw/zinc/93/64/76/456936476.db2.gz LVYOGRAEWXYBOK-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN C[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000341773156 456937243 /nfs/dbraw/zinc/93/72/43/456937243.db2.gz PIIGRTZNJOKZMS-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000341862243 456975688 /nfs/dbraw/zinc/97/56/88/456975688.db2.gz HMNIDLWRHJAROG-UHFFFAOYSA-N 0 0 342.342 3.258 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356466966 457003639 /nfs/dbraw/zinc/00/36/39/457003639.db2.gz BLJQURNORVXQCO-XJKSGUPXSA-N 0 0 332.381 3.125 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356469302 457004760 /nfs/dbraw/zinc/00/47/60/457004760.db2.gz DYGSJTKRHOJAOK-AEFFLSMTSA-N 0 0 326.352 3.063 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358879757 457020332 /nfs/dbraw/zinc/02/03/32/457020332.db2.gz CQGFPJJJOLQRSX-STQMWFEESA-N 0 0 348.305 3.482 10 5 EGBERN O=C(NCc1ccsc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358879774 457020430 /nfs/dbraw/zinc/02/04/30/457020430.db2.gz CUDNLJQTCPENQQ-UHFFFAOYSA-N 0 0 328.296 3.188 10 5 EGBERN Cc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2n[nH]cc21 ZINC000362680446 457041581 /nfs/dbraw/zinc/04/15/81/457041581.db2.gz IWOFFJFRJVSHHL-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@H]2CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000330424896 457041728 /nfs/dbraw/zinc/04/17/28/457041728.db2.gz FVDROGVOBLILQF-AWEZNQCLSA-N 0 0 336.436 3.225 10 5 EGBERN COc1c(-c2nc(-c3cc(C)cc(C)n3)no2)cccc1[N+](=O)[O-] ZINC000346579395 457055799 /nfs/dbraw/zinc/05/57/99/457055799.db2.gz WNBXAKNTJGITPI-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2OCCc3ccccc32)n1 ZINC000359103878 457055940 /nfs/dbraw/zinc/05/59/40/457055940.db2.gz JIXZFPXFXTZYTR-INIZCTEOSA-N 0 0 327.384 3.357 10 5 EGBERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330605548 457061318 /nfs/dbraw/zinc/06/13/18/457061318.db2.gz ZEPCLCUKDHLHDP-IUCAKERBSA-N 0 0 325.752 3.024 10 5 EGBERN COc1cc(C(=O)N2CCc3c2c(F)ccc3F)ccc1[N+](=O)[O-] ZINC000354110761 457069927 /nfs/dbraw/zinc/06/99/27/457069927.db2.gz XTTPKNQXORZPMT-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COc1c(C(=O)N(CC(F)F)CC2CCC2)cccc1[N+](=O)[O-] ZINC000356593586 457073054 /nfs/dbraw/zinc/07/30/54/457073054.db2.gz JAQPLQCMZANTCD-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356618006 457086275 /nfs/dbraw/zinc/08/62/75/457086275.db2.gz MHCVWOZEPNXNOD-BTDLBPIBSA-N 0 0 337.335 3.328 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC000354150345 457094572 /nfs/dbraw/zinc/09/45/72/457094572.db2.gz SQMFAUSPRJJQJJ-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccc(OCCN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000342119734 457118760 /nfs/dbraw/zinc/11/87/60/457118760.db2.gz MJXGGCNINHYQJY-UHFFFAOYSA-N 0 0 340.383 3.290 10 5 EGBERN COCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000359705311 457121037 /nfs/dbraw/zinc/12/10/37/457121037.db2.gz XYILFBMRIQVTPK-UHFFFAOYSA-N 0 0 345.399 3.403 10 5 EGBERN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000331075630 457127655 /nfs/dbraw/zinc/12/76/55/457127655.db2.gz VLJQSKVBZSJINF-ONGXEEELSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1nc(SCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000356731895 457140443 /nfs/dbraw/zinc/14/04/43/457140443.db2.gz JATALSWRRZLHEP-UHFFFAOYSA-N 0 0 349.416 3.050 10 5 EGBERN Cn1nc2c(c1CNc1ccc3ncccc3c1[N+](=O)[O-])CCCC2 ZINC000359965440 457175941 /nfs/dbraw/zinc/17/59/41/457175941.db2.gz AFWIHTYJILAVMX-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(COc3ccsc3)n2)c1 ZINC000347122678 457240662 /nfs/dbraw/zinc/24/06/62/457240662.db2.gz REDNDUFNTXYESE-UHFFFAOYSA-N 0 0 347.352 3.218 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[C@@H](C(F)(F)F)C3)n2)n1C ZINC000347135042 457249183 /nfs/dbraw/zinc/24/91/83/457249183.db2.gz JDVZFBNZTFDUFI-HTQZYQBOSA-N 0 0 345.281 3.133 10 5 EGBERN COC[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000342360101 457255501 /nfs/dbraw/zinc/25/55/01/457255501.db2.gz NKEODRSFXXUCGK-GFCCVEGCSA-N 0 0 330.369 3.399 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354500378 457258909 /nfs/dbraw/zinc/25/89/09/457258909.db2.gz CLGQHUIEUOSIMZ-UHFFFAOYSA-N 0 0 349.387 3.109 10 5 EGBERN C[C@H]1CCCc2ncc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)n21 ZINC000351405621 457280102 /nfs/dbraw/zinc/28/01/02/457280102.db2.gz MZQGLBSQDTXDER-JTQLQIEISA-N 0 0 325.328 3.406 10 5 EGBERN CC[C@H]1Oc2cc([C@H](C)Nc3ccc([N+](=O)[O-])nc3)ccc2NC1=O ZINC000342438869 457304980 /nfs/dbraw/zinc/30/49/80/457304980.db2.gz QCGCXSJOMGHKEC-IINYFYTJSA-N 0 0 342.355 3.272 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355221389 457347993 /nfs/dbraw/zinc/34/79/93/457347993.db2.gz LIMPEXOTIKILLO-LSDHHAIUSA-N 0 0 334.416 3.242 10 5 EGBERN COc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357159255 457351529 /nfs/dbraw/zinc/35/15/29/457351529.db2.gz ZEJHROINMBDCMX-WCBMZHEXSA-N 0 0 332.278 3.016 10 5 EGBERN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000363566317 457368344 /nfs/dbraw/zinc/36/83/44/457368344.db2.gz QBHSYJYSDMXRTD-GFCCVEGCSA-N 0 0 348.380 3.227 10 5 EGBERN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000357225370 457383617 /nfs/dbraw/zinc/38/36/17/457383617.db2.gz UZENQJRKLVMCTD-LBPRGKRZSA-N 0 0 333.344 3.341 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000360870438 457396095 /nfs/dbraw/zinc/39/60/95/457396095.db2.gz HCKMCCQDYHALAT-GWCFXTLKSA-N 0 0 346.305 3.163 10 5 EGBERN CNc1c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000360919543 457432750 /nfs/dbraw/zinc/43/27/50/457432750.db2.gz QSUVTGHUCWLJKC-MRXNPFEDSA-N 0 0 347.415 3.058 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000342671408 457444109 /nfs/dbraw/zinc/44/41/09/457444109.db2.gz YTSPFADEPQFLEF-QFBILLFUSA-N 0 0 346.427 3.193 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(F)cc3Cl)n2)nc1 ZINC000357328011 457448156 /nfs/dbraw/zinc/44/81/56/457448156.db2.gz HMVSARNTNIFTCK-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccccc2)n1 ZINC000352550463 457459231 /nfs/dbraw/zinc/45/92/31/457459231.db2.gz NHYUXYBSCIXZIB-UHFFFAOYSA-N 0 0 338.367 3.319 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N([C@H](C)c2ccccc2)C2CC2)n1 ZINC000342690764 457459434 /nfs/dbraw/zinc/45/94/34/457459434.db2.gz KXVNICKXMCOJHF-GFCCVEGCSA-N 0 0 328.372 3.177 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556198 457464630 /nfs/dbraw/zinc/46/46/30/457464630.db2.gz WPDLLEUDNSLKBK-HUUCEWRRSA-N 0 0 340.301 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CO)c1ccsc1 ZINC000352575261 457477871 /nfs/dbraw/zinc/47/78/71/457477871.db2.gz IUCFQAPDZOLNIS-GFCCVEGCSA-N 0 0 335.385 3.128 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357378317 457482465 /nfs/dbraw/zinc/48/24/65/457482465.db2.gz HFXHUIRVDXMYJA-PWSUYJOCSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000369971459 457483291 /nfs/dbraw/zinc/48/32/91/457483291.db2.gz AGJRBTRCLXVKCD-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN Cc1ccc(N[C@H](Cc2ccccc2)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000357454354 457538711 /nfs/dbraw/zinc/53/87/11/457538711.db2.gz KYXHPCFCSLGDJC-MRXNPFEDSA-N 0 0 327.384 3.015 10 5 EGBERN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000357540570 457585318 /nfs/dbraw/zinc/58/53/18/457585318.db2.gz TVSRXLPTKNTGOH-SSDOTTSWSA-N 0 0 338.726 3.054 10 5 EGBERN Nc1c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000364376369 457585692 /nfs/dbraw/zinc/58/56/92/457585692.db2.gz SGIPDBIAYAUYGX-GFCCVEGCSA-N 0 0 345.786 3.460 10 5 EGBERN COc1cccc(F)c1[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361119082 457593213 /nfs/dbraw/zinc/59/32/13/457593213.db2.gz ZTVSFKWRFCXUSP-VIFPVBQESA-N 0 0 333.319 3.015 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000357574173 457601741 /nfs/dbraw/zinc/60/17/41/457601741.db2.gz XGSKTRXMMIYTEZ-QMMMGPOBSA-N 0 0 326.740 3.341 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC000357723200 457669060 /nfs/dbraw/zinc/66/90/60/457669060.db2.gz AFMJUWBWFWZCBR-NSHDSACASA-N 0 0 328.315 3.220 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)nn1-c1ccccc1 ZINC000357758295 457679955 /nfs/dbraw/zinc/67/99/55/457679955.db2.gz JYSZZCLVNCOXJB-UHFFFAOYSA-N 0 0 336.351 3.072 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000374648620 457680234 /nfs/dbraw/zinc/68/02/34/457680234.db2.gz XFSMKLKGKDFJBE-SECBINFHSA-N 0 0 340.307 3.106 10 5 EGBERN CN(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000361432627 457730457 /nfs/dbraw/zinc/73/04/57/457730457.db2.gz QXRYEBVADUBRGQ-MRXNPFEDSA-N 0 0 339.395 3.225 10 5 EGBERN CC1(c2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000433182730 457770980 /nfs/dbraw/zinc/77/09/80/457770980.db2.gz OXYTVXYXYVVSAA-UHFFFAOYSA-N 0 0 330.344 3.480 10 5 EGBERN CCN([C@@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766018 457810815 /nfs/dbraw/zinc/81/08/15/457810815.db2.gz SBKQHERQVUAUKG-XJKSGUPXSA-N 0 0 340.445 3.325 10 5 EGBERN CCOc1cc(NC(=O)NCCCCF)c([N+](=O)[O-])cc1OCC ZINC000361669259 457816183 /nfs/dbraw/zinc/81/61/83/457816183.db2.gz HSOOHZLUBZHPJT-UHFFFAOYSA-N 0 0 343.355 3.263 10 5 EGBERN CC(C)(C)C1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000457761815 457819424 /nfs/dbraw/zinc/81/94/24/457819424.db2.gz LUTJOQOFALWUIA-UHFFFAOYSA-N 0 0 334.420 3.027 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000366494973 457829763 /nfs/dbraw/zinc/82/97/63/457829763.db2.gz RMMPHMLQNPWVHB-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433862475 457901040 /nfs/dbraw/zinc/90/10/40/457901040.db2.gz LRUIOUNXYVWDRZ-NSHDSACASA-N 0 0 330.388 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000411560466 457918176 /nfs/dbraw/zinc/91/81/76/457918176.db2.gz KELCRGKBYFQXHV-UHFFFAOYSA-N 0 0 347.415 3.091 10 5 EGBERN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000444674423 457935907 /nfs/dbraw/zinc/93/59/07/457935907.db2.gz KMFZTJWNYAKIBT-INIZCTEOSA-N 0 0 344.346 3.088 10 5 EGBERN Cc1c(Cl)cccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000427093315 457943134 /nfs/dbraw/zinc/94/31/34/457943134.db2.gz MMQGQTFKWLFYDB-UHFFFAOYSA-N 0 0 331.759 3.150 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000427267356 457969249 /nfs/dbraw/zinc/96/92/49/457969249.db2.gz OOMCPIRJYAUVOR-NSHDSACASA-N 0 0 334.351 3.174 10 5 EGBERN Cc1cc(CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)no1 ZINC000444860516 457988622 /nfs/dbraw/zinc/98/86/22/457988622.db2.gz QPDBVLWEMLLGGA-UHFFFAOYSA-N 0 0 347.374 3.250 10 5 EGBERN CSCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445003762 458004355 /nfs/dbraw/zinc/00/43/55/458004355.db2.gz KGKZDUQSAOCACO-UHFFFAOYSA-N 0 0 326.421 3.164 10 5 EGBERN CC(C)c1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000358438850 458004668 /nfs/dbraw/zinc/00/46/68/458004668.db2.gz HELSAKIOJINTQF-UHFFFAOYSA-N 0 0 325.328 3.242 10 5 EGBERN CSc1cccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000358552537 458070474 /nfs/dbraw/zinc/07/04/74/458070474.db2.gz LFEMNKYZSWKNLG-RISCZKNCSA-N 0 0 342.367 3.434 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458498674 458071573 /nfs/dbraw/zinc/07/15/73/458071573.db2.gz JKOZFVVWJCXNPJ-LSDHHAIUSA-N 0 0 349.431 3.422 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)s1 ZINC000369128452 458092512 /nfs/dbraw/zinc/09/25/12/458092512.db2.gz UONUSRXSRMHERI-UHFFFAOYSA-N 0 0 347.322 3.177 10 5 EGBERN Cc1c(NC(=O)NCC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000435328297 458115988 /nfs/dbraw/zinc/11/59/88/458115988.db2.gz KPDAPCCIDKBUGP-UHFFFAOYSA-N 0 0 338.108 3.052 10 5 EGBERN Cc1c(NC(=O)N2CCC(c3c[nH]cn3)CC2)cccc1[N+](=O)[O-] ZINC000371906319 458116190 /nfs/dbraw/zinc/11/61/90/458116190.db2.gz SXYMEZTWNNQFNE-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375929600 458127404 /nfs/dbraw/zinc/12/74/04/458127404.db2.gz WUMDGLZWWAYXNP-GXTWGEPZSA-N 0 0 329.331 3.195 10 5 EGBERN O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375929601 458128272 /nfs/dbraw/zinc/12/82/72/458128272.db2.gz WUMDGLZWWAYXNP-JSGCOSHPSA-N 0 0 329.331 3.195 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(F)(F)F ZINC000412287733 458155174 /nfs/dbraw/zinc/15/51/74/458155174.db2.gz YDLJYLGYWUXXGZ-LBPRGKRZSA-N 0 0 334.294 3.453 10 5 EGBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCSC1 ZINC000446228082 458165495 /nfs/dbraw/zinc/16/54/95/458165495.db2.gz QZDNEGIRLNKLLZ-GFCCVEGCSA-N 0 0 338.432 3.259 10 5 EGBERN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000435716011 458190030 /nfs/dbraw/zinc/19/00/30/458190030.db2.gz DKGNIYJUOBRICX-UHFFFAOYSA-N 0 0 336.369 3.021 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000446489607 458191211 /nfs/dbraw/zinc/19/12/11/458191211.db2.gz AULVIDYKAGOHDY-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458889315 458206217 /nfs/dbraw/zinc/20/62/17/458206217.db2.gz NIPCGQDLZCGYMI-GUYCJALGSA-N 0 0 337.420 3.142 10 5 EGBERN CC1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372195391 458226945 /nfs/dbraw/zinc/22/69/45/458226945.db2.gz IPNUQZCFVUEXFD-UHFFFAOYSA-N 0 0 325.368 3.184 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000412546482 458230502 /nfs/dbraw/zinc/23/05/02/458230502.db2.gz ZVVOTEBBWSAYOI-VIFPVBQESA-N 0 0 348.380 3.494 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436012972 458236552 /nfs/dbraw/zinc/23/65/52/458236552.db2.gz AYPUDZYOIDVZKE-JQWIXIFHSA-N 0 0 338.791 3.440 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000362555222 458267093 /nfs/dbraw/zinc/26/70/93/458267093.db2.gz GWPSGQALLINPEB-UHFFFAOYSA-N 0 0 349.431 3.107 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000376400708 458289095 /nfs/dbraw/zinc/28/90/95/458289095.db2.gz MXFLXMRDVORTQG-LBPRGKRZSA-N 0 0 345.786 3.460 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1C ZINC000436399930 458299687 /nfs/dbraw/zinc/29/96/87/458299687.db2.gz KPZKHDIJVRGXGM-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000376518104 458326996 /nfs/dbraw/zinc/32/69/96/458326996.db2.gz FKPYUDVSOGRTMS-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN COc1cc2c(cc1F)CN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000447669718 458328113 /nfs/dbraw/zinc/32/81/13/458328113.db2.gz KQJMRXDYLKMKOE-UHFFFAOYSA-N 0 0 342.330 3.182 10 5 EGBERN C[C@@H](NC(=O)N1Cc2ccccc2CO1)c1ccccc1[N+](=O)[O-] ZINC000376841165 458404368 /nfs/dbraw/zinc/40/43/68/458404368.db2.gz YMDQQDAWTQEWRO-GFCCVEGCSA-N 0 0 327.340 3.313 10 5 EGBERN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483934 458440670 /nfs/dbraw/zinc/44/06/70/458440670.db2.gz QJNRIPDCZSAYIL-SMDDNHRTSA-N 0 0 345.415 3.052 10 5 EGBERN Cc1sc(C(=O)NCc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000430819495 458495210 /nfs/dbraw/zinc/49/52/10/458495210.db2.gz HZEOBFTXQCWGHL-UHFFFAOYSA-N 0 0 348.277 3.451 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2ccccc2C1 ZINC000460287452 458509285 /nfs/dbraw/zinc/50/92/85/458509285.db2.gz YOBSXJCXUZIAER-UHFFFAOYSA-N 0 0 349.394 3.436 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000438943577 458632939 /nfs/dbraw/zinc/63/29/39/458632939.db2.gz BWQHSMDUOMCYLQ-QWRGUYRKSA-N 0 0 326.780 3.102 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000438954593 458633439 /nfs/dbraw/zinc/63/34/39/458633439.db2.gz RPZRUIGOHWJZMU-AAEUAGOBSA-N 0 0 326.780 3.244 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000462708164 458646241 /nfs/dbraw/zinc/64/62/41/458646241.db2.gz SOLWODMJBBBDEI-UHFFFAOYSA-N 0 0 348.424 3.239 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)c2ncccc12 ZINC000439078983 458650610 /nfs/dbraw/zinc/65/06/10/458650610.db2.gz RXKFHMXPHNVOKC-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN CO[C@H]1C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000439164712 458665409 /nfs/dbraw/zinc/66/54/09/458665409.db2.gz BVHPTCXYGOAKFW-RYUDHWBXSA-N 0 0 326.780 3.100 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470933327 458666291 /nfs/dbraw/zinc/66/62/91/458666291.db2.gz RGMABJPRDAWWFY-CMPLNLGQSA-N 0 0 345.321 3.114 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000424695171 458710439 /nfs/dbraw/zinc/71/04/39/458710439.db2.gz ZPXUZGWEHQSWPF-UONOGXRCSA-N 0 0 337.395 3.350 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000471682468 458711901 /nfs/dbraw/zinc/71/19/01/458711901.db2.gz ITHFFSZFCIMYLN-BXKDBHETSA-N 0 0 331.294 3.077 10 5 EGBERN CO[C@H]([C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000456558765 458713203 /nfs/dbraw/zinc/71/32/03/458713203.db2.gz KLUIDJUPOBHGCX-YMTOWFKASA-N 0 0 326.780 3.100 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000439604622 458729041 /nfs/dbraw/zinc/72/90/41/458729041.db2.gz RVIFKNRTSKYHAL-DINDLPBHSA-N 0 0 341.367 3.059 10 5 EGBERN COc1cc(OCc2nc(C)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC000530282661 458741299 /nfs/dbraw/zinc/74/12/99/458741299.db2.gz OKZCBKRWVZHWAJ-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN Cc1ccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000424873409 458753788 /nfs/dbraw/zinc/75/37/88/458753788.db2.gz ALOXFIQEXFSLRL-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN Cc1n[nH]c(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000456752334 458772268 /nfs/dbraw/zinc/77/22/68/458772268.db2.gz BOTRNIOILXKSOH-UHFFFAOYSA-N 0 0 346.362 3.006 10 5 EGBERN COc1cc(CN=c2cc(C3(C)CCCC3)o[nH]2)c([N+](=O)[O-])cc1O ZINC000432736749 458777473 /nfs/dbraw/zinc/77/74/73/458777473.db2.gz YDKKOKPIFFJMPE-UHFFFAOYSA-N 0 0 347.371 3.163 10 5 EGBERN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000440743123 458847968 /nfs/dbraw/zinc/84/79/68/458847968.db2.gz XKRDCFWBXZLIDD-UHFFFAOYSA-N 0 0 347.327 3.265 10 5 EGBERN Cc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000548255892 458856220 /nfs/dbraw/zinc/85/62/20/458856220.db2.gz UJSXKBUXCGVIGU-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000548361645 458869985 /nfs/dbraw/zinc/86/99/85/458869985.db2.gz UXRJMONKINGTPY-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466140845 458881437 /nfs/dbraw/zinc/88/14/37/458881437.db2.gz DIJCPBUCHXBDCC-MRXNPFEDSA-N 0 0 349.431 3.128 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000531515262 458928472 /nfs/dbraw/zinc/92/84/72/458928472.db2.gz LZKBLZUZSIVEDF-LJQANCHMSA-N 0 0 339.395 3.440 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467045336 458948751 /nfs/dbraw/zinc/94/87/51/458948751.db2.gz KEWUQJSYIAHDAT-NSHDSACASA-N 0 0 332.447 3.308 10 5 EGBERN Cc1cccc2[nH]cc(CCNC(=O)c3cc(F)cc([N+](=O)[O-])c3)c21 ZINC000520235677 459042511 /nfs/dbraw/zinc/04/25/11/459042511.db2.gz RKBCNLNDQNNWSV-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000567146004 459054198 /nfs/dbraw/zinc/05/41/98/459054198.db2.gz MGQPJUZRJUMDNU-AOOOYVTPSA-N 0 0 331.294 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594520363 459077895 /nfs/dbraw/zinc/07/78/95/459077895.db2.gz NOSFQQGZLSRCRI-DGCLKSJQSA-N 0 0 336.285 3.324 10 5 EGBERN O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392584 459079549 /nfs/dbraw/zinc/07/95/49/459079549.db2.gz MZTQXSKIJLZMQC-UHFFFAOYSA-N 0 0 325.246 3.347 10 5 EGBERN COCc1ccc(COc2ccc(C(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000590128274 459090223 /nfs/dbraw/zinc/09/02/23/459090223.db2.gz NULQBEUJVMBGJU-UHFFFAOYSA-N 0 0 331.324 3.107 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2ccccn2)C1 ZINC000590401305 459125412 /nfs/dbraw/zinc/12/54/12/459125412.db2.gz KEKTVXFVTCAPMQ-LBPRGKRZSA-N 0 0 329.331 3.149 10 5 EGBERN O=C([C@@H]1CCCOCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000577975596 459125543 /nfs/dbraw/zinc/12/55/43/459125543.db2.gz KAMIDASZLQUNIQ-CVEARBPZSA-N 0 0 332.400 3.118 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(F)(c2ccccc2F)C1 ZINC000590438603 459130984 /nfs/dbraw/zinc/13/09/84/459130984.db2.gz KKDVEVTYPOSQMJ-UHFFFAOYSA-N 0 0 336.269 3.194 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000479559864 459149398 /nfs/dbraw/zinc/14/93/98/459149398.db2.gz DDVFLNBRPPHQOI-HDJSIYSDSA-N 0 0 342.399 3.479 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC(Cc2ccccc2Cl)C1 ZINC000480056141 459179950 /nfs/dbraw/zinc/17/99/50/459179950.db2.gz NZBNNUSQLVUBJM-UHFFFAOYSA-N 0 0 334.807 3.452 10 5 EGBERN CN(Cc1ccoc1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558641318 459186753 /nfs/dbraw/zinc/18/67/53/459186753.db2.gz HWMJGROTYAYYAJ-UHFFFAOYSA-N 0 0 342.355 3.053 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCCOCC2CCC2)cc1[N+](=O)[O-] ZINC000558645978 459187697 /nfs/dbraw/zinc/18/76/97/459187697.db2.gz INUBRQGPTMGSGB-CYBMUJFWSA-N 0 0 335.404 3.080 10 5 EGBERN C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957412 459192313 /nfs/dbraw/zinc/19/23/13/459192313.db2.gz OIJJNVQTRXHBNQ-BXUZGUMPSA-N 0 0 339.355 3.242 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1c2c(nn1C)CCCC2 ZINC000595040296 459225845 /nfs/dbraw/zinc/22/58/45/459225845.db2.gz XGDVBINSJULHEJ-GFCCVEGCSA-N 0 0 344.415 3.067 10 5 EGBERN COC1([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])CCOCC1 ZINC000578635310 459234175 /nfs/dbraw/zinc/23/41/75/459234175.db2.gz UFXSTSPHILNRET-LBPRGKRZSA-N 0 0 331.372 3.139 10 5 EGBERN Cc1nc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000595331881 459277411 /nfs/dbraw/zinc/27/74/11/459277411.db2.gz XQKUXYBPWPMXOE-UHFFFAOYSA-N 0 0 331.372 3.243 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4ccccn4)C3)nc2c1 ZINC000595502536 459325446 /nfs/dbraw/zinc/32/54/46/459325446.db2.gz MSIHBQFLIQNWGR-CYBMUJFWSA-N 0 0 337.383 3.246 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000591173774 459328253 /nfs/dbraw/zinc/32/82/53/459328253.db2.gz UFEGENRSMJHULC-CYBMUJFWSA-N 0 0 345.321 3.175 10 5 EGBERN CCc1nnc([C@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519749 459331971 /nfs/dbraw/zinc/33/19/71/459331971.db2.gz CCDWIPVCKZDLEF-JSGCOSHPSA-N 0 0 329.404 3.216 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000595516882 459332018 /nfs/dbraw/zinc/33/20/18/459332018.db2.gz CDAFGCHVKDZJED-RHSMWYFYSA-N 0 0 349.431 3.174 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000524542164 459370974 /nfs/dbraw/zinc/37/09/74/459370974.db2.gz FEROKSVSZZQIEN-RYUDHWBXSA-N 0 0 334.372 3.270 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595688467 459397786 /nfs/dbraw/zinc/39/77/86/459397786.db2.gz HLXWYEYESMNZKE-GASCZTMLSA-N 0 0 344.333 3.472 10 5 EGBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1=O ZINC000595716408 459410768 /nfs/dbraw/zinc/41/07/68/459410768.db2.gz ZRFFMAWTFZJGHE-NXEZZACHSA-N 0 0 330.306 3.271 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000595758307 459428805 /nfs/dbraw/zinc/42/88/05/459428805.db2.gz HZYVUFLMFUBURD-KRWDZBQOSA-N 0 0 346.358 3.316 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCNC(=O)c1ccccc1Cl ZINC000569341850 459435759 /nfs/dbraw/zinc/43/57/59/459435759.db2.gz VDXAJYPNKGBZCZ-UHFFFAOYSA-N 0 0 349.774 3.099 10 5 EGBERN CO[C@@H](COc1c(C)cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000569456285 459454308 /nfs/dbraw/zinc/45/43/08/459454308.db2.gz YLQUGNDDRTTYMO-LBPRGKRZSA-N 0 0 330.178 3.470 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595891276 459477147 /nfs/dbraw/zinc/47/71/47/459477147.db2.gz PKKGONGDIORXFJ-GXFFZTMASA-N 0 0 348.321 3.145 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1Oc1ccccc1 ZINC000486021617 459484851 /nfs/dbraw/zinc/48/48/51/459484851.db2.gz YNHYEXNLWPRSEP-UXLLHSPISA-N 0 0 329.356 3.027 10 5 EGBERN CC(C)[C@H]1N(C(=O)NCc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000591933566 459490506 /nfs/dbraw/zinc/49/05/06/459490506.db2.gz JDLRBPSWOSZDHW-MRXNPFEDSA-N 0 0 329.400 3.481 10 5 EGBERN CC[C@H](NC(=O)N1C[C@H](C)OC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591972900 459502377 /nfs/dbraw/zinc/50/23/77/459502377.db2.gz BNDBHWQYUIFXMS-BBRMVZONSA-N 0 0 347.415 3.399 10 5 EGBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000591982692 459504131 /nfs/dbraw/zinc/50/41/31/459504131.db2.gz PXCDIBVPKTXJAG-CHWSQXEVSA-N 0 0 329.404 3.290 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc1 ZINC000592005331 459510168 /nfs/dbraw/zinc/51/01/68/459510168.db2.gz FQKICUJYHPWGPY-CYBMUJFWSA-N 0 0 337.738 3.360 10 5 EGBERN COc1cccc(O[C@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000541932287 459511199 /nfs/dbraw/zinc/51/11/99/459511199.db2.gz OIMPBSNPONNEPD-CYBMUJFWSA-N 0 0 331.372 3.495 10 5 EGBERN CCCCCNC(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000541935153 459512949 /nfs/dbraw/zinc/51/29/49/459512949.db2.gz JNOGXHMBXINKSZ-UHFFFAOYSA-N 0 0 348.447 3.129 10 5 EGBERN CCO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596090208 459515830 /nfs/dbraw/zinc/51/58/30/459515830.db2.gz NAQRVASBQZRWHR-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@@H](C)O1 ZINC000596120829 459528255 /nfs/dbraw/zinc/52/82/55/459528255.db2.gz TWMRWHUMBLBMJJ-ZJUUUORDSA-N 0 0 342.779 3.039 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H](O)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596132240 459531539 /nfs/dbraw/zinc/53/15/39/459531539.db2.gz VPOQQPYCUFTXNG-VIFPVBQESA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000596140076 459534592 /nfs/dbraw/zinc/53/45/92/459534592.db2.gz BEBSEFSUHRDWOE-UHFFFAOYSA-N 0 0 344.795 3.245 10 5 EGBERN COc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596170957 459546839 /nfs/dbraw/zinc/54/68/39/459546839.db2.gz BMJMDZMPXIKTSU-GHMZBOCLSA-N 0 0 326.780 3.120 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592211834 459550527 /nfs/dbraw/zinc/55/05/27/459550527.db2.gz WQRBAMCAOGPUSG-INIZCTEOSA-N 0 0 347.415 3.378 10 5 EGBERN COc1ccc(CNC(=O)N(CCC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000596180371 459550963 /nfs/dbraw/zinc/55/09/63/459550963.db2.gz XSNPCQVGUWTQPB-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN Cc1cc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])s1 ZINC000596206087 459559867 /nfs/dbraw/zinc/55/98/67/459559867.db2.gz LDFYJRKHHCDCIT-ZDUSSCGKSA-N 0 0 349.387 3.317 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596215996 459562550 /nfs/dbraw/zinc/56/25/50/459562550.db2.gz INIZXEYTZJDBBB-JRPNMDOOSA-N 0 0 326.418 3.128 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])s1 ZINC000596248586 459573751 /nfs/dbraw/zinc/57/37/51/459573751.db2.gz JGVJFURJLMYSFJ-CJNGLKHVSA-N 0 0 336.388 3.269 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1OCCO[C@@H]1CC1(F)F ZINC000596260419 459578297 /nfs/dbraw/zinc/57/82/97/459578297.db2.gz GWIODWGQHDALME-SNVBAGLBSA-N 0 0 338.104 3.160 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000596270327 459579807 /nfs/dbraw/zinc/57/98/07/459579807.db2.gz DIRUIUFPRXAEFD-SECBINFHSA-N 0 0 342.779 3.404 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000596318611 459594682 /nfs/dbraw/zinc/59/46/82/459594682.db2.gz OZLFBSQLCGZFMN-TVQRCGJNSA-N 0 0 334.294 3.077 10 5 EGBERN C[C@]1(C2CC2)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596335915 459600018 /nfs/dbraw/zinc/60/00/18/459600018.db2.gz SPQQAMJHLCDLBM-OAHLLOKOSA-N 0 0 328.315 3.202 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ncnn21 ZINC000596343795 459602539 /nfs/dbraw/zinc/60/25/39/459602539.db2.gz CQYMKOQUAGYKCE-OIBJUYFYSA-N 0 0 327.266 3.323 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)N[C@H](CC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000592458381 459604418 /nfs/dbraw/zinc/60/44/18/459604418.db2.gz FKCYMSFUMJJVCM-WCQYABFASA-N 0 0 333.388 3.321 10 5 EGBERN CC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904739 459610565 /nfs/dbraw/zinc/61/05/65/459610565.db2.gz KHYRKXOBYOXIAY-JSGCOSHPSA-N 0 0 327.375 3.317 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596444010 459639064 /nfs/dbraw/zinc/63/90/64/459639064.db2.gz SJWYIGJJTPQCHL-HDICACEKSA-N 0 0 343.383 3.014 10 5 EGBERN COc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)c(OC)c1 ZINC000499492124 459639334 /nfs/dbraw/zinc/63/93/34/459639334.db2.gz LOFVAWZSVPFANQ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC[C@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000592603363 459641858 /nfs/dbraw/zinc/64/18/58/459641858.db2.gz UCVYKNXLPYOKBC-LRDDRELGSA-N 0 0 342.399 3.255 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000596481811 459651934 /nfs/dbraw/zinc/65/19/34/459651934.db2.gz HCBBMZNWAZGLKJ-KRWDZBQOSA-N 0 0 331.347 3.306 10 5 EGBERN COC(=O)Cc1ccc(Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])c1 ZINC000596485459 459652981 /nfs/dbraw/zinc/65/29/81/459652981.db2.gz JANJCDDAOWXIIZ-UHFFFAOYSA-N 0 0 342.351 3.127 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000596487353 459654035 /nfs/dbraw/zinc/65/40/35/459654035.db2.gz HFYYXGJMWFWOBZ-TZMCWYRMSA-N 0 0 348.378 3.299 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000596488329 459654530 /nfs/dbraw/zinc/65/45/30/459654530.db2.gz NYOVDOCKIQBCIJ-RISCZKNCSA-N 0 0 335.795 3.200 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596502843 459658936 /nfs/dbraw/zinc/65/89/36/459658936.db2.gz NSYDBAWEKCEWRN-NOZJJQNGSA-N 0 0 341.289 3.299 10 5 EGBERN CCC(C)(CC)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000500046167 459662240 /nfs/dbraw/zinc/66/22/40/459662240.db2.gz CBELPMGMBUQAKT-UHFFFAOYSA-N 0 0 334.825 3.414 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596525109 459666012 /nfs/dbraw/zinc/66/60/12/459666012.db2.gz IZGGCUYYVGHTRX-CYBMUJFWSA-N 0 0 333.388 3.101 10 5 EGBERN Cc1cc(N2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596529999 459668269 /nfs/dbraw/zinc/66/82/69/459668269.db2.gz SQNQAADNWRVUOB-GHMZBOCLSA-N 0 0 330.306 3.395 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000592694736 459668955 /nfs/dbraw/zinc/66/89/55/459668955.db2.gz FYDXYQJFWXSQQN-OLZOCXBDSA-N 0 0 334.420 3.100 10 5 EGBERN CCOc1cc(N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596557817 459675982 /nfs/dbraw/zinc/67/59/82/459675982.db2.gz LWWJHVDTZSWLQK-NSHDSACASA-N 0 0 334.294 3.151 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CCC(F)CC1 ZINC000592721129 459676232 /nfs/dbraw/zinc/67/62/32/459676232.db2.gz ISJJDONGLPUTNM-UHFFFAOYSA-N 0 0 333.363 3.194 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592733817 459678748 /nfs/dbraw/zinc/67/87/48/459678748.db2.gz XRAKOJGMRKYNMM-BPLDGKMQSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596574034 459681939 /nfs/dbraw/zinc/68/19/39/459681939.db2.gz MOWGGKHKXTZFNG-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN Cn1ncc2c1CC(C)(C)CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000596598040 459692409 /nfs/dbraw/zinc/69/24/09/459692409.db2.gz ILDCLGCFSUUGDP-UHFFFAOYSA-N 0 0 332.379 3.052 10 5 EGBERN COC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CCC(F)(F)CC1 ZINC000596600353 459693211 /nfs/dbraw/zinc/69/32/11/459693211.db2.gz HAECGAJSXKXNRD-UHFFFAOYSA-N 0 0 329.259 3.289 10 5 EGBERN CCc1[nH]nc(-c2nc(Cc3ccc(C)c(C)c3)no2)c1[N+](=O)[O-] ZINC000596614151 459699963 /nfs/dbraw/zinc/69/99/63/459699963.db2.gz NCWDMNNMMRSTDY-UHFFFAOYSA-N 0 0 327.344 3.138 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000596623973 459702824 /nfs/dbraw/zinc/70/28/24/459702824.db2.gz BYOFCKYNMUIRQZ-ZDUSSCGKSA-N 0 0 329.303 3.160 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592856314 459704656 /nfs/dbraw/zinc/70/46/56/459704656.db2.gz ZYRYUPGZGORSNS-BLLLJJGKSA-N 0 0 340.445 3.133 10 5 EGBERN CC[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C(=O)OC ZINC000592861418 459705578 /nfs/dbraw/zinc/70/55/78/459705578.db2.gz AOYOOTZEKQSPSW-CYBMUJFWSA-N 0 0 336.391 3.317 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000596633752 459706081 /nfs/dbraw/zinc/70/60/81/459706081.db2.gz ALGNTLOQTKIEAE-LLVKDONJSA-N 0 0 347.293 3.088 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596633753 459706520 /nfs/dbraw/zinc/70/65/20/459706520.db2.gz ALGNTLOQTKIEAE-NSHDSACASA-N 0 0 347.293 3.088 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCNc2ccccc2)c1 ZINC000543899488 459711585 /nfs/dbraw/zinc/71/15/85/459711585.db2.gz RAFFHIYYIMZVRA-UHFFFAOYSA-N 0 0 329.356 3.296 10 5 EGBERN COC(=O)c1ccc(Sc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000543900739 459711712 /nfs/dbraw/zinc/71/17/12/459711712.db2.gz WAWBYLDFOOMPJV-UHFFFAOYSA-N 0 0 347.348 3.319 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2cccc(CO[C@@H]3CCOC3)c2)c1 ZINC000596647524 459713551 /nfs/dbraw/zinc/71/35/51/459713551.db2.gz OHAXVBLSJYMULG-GOSISDBHSA-N 0 0 343.379 3.102 10 5 EGBERN COC1CC(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596659585 459717728 /nfs/dbraw/zinc/71/77/28/459717728.db2.gz MQBKZTNUJILBSS-UHFFFAOYSA-N 0 0 347.415 3.084 10 5 EGBERN O=C([O-])[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658777 459718335 /nfs/dbraw/zinc/71/83/35/459718335.db2.gz VBKVWZHFRVSZQC-DJIMGWMZSA-N 0 0 346.427 3.397 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000592950649 459723195 /nfs/dbraw/zinc/72/31/95/459723195.db2.gz YLNKQHCNULIHPE-UHFFFAOYSA-N 0 0 348.378 3.227 10 5 EGBERN CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563207251 459739115 /nfs/dbraw/zinc/73/91/15/459739115.db2.gz NWMWFEFZYRBCPY-CQSZACIVSA-N 0 0 335.404 3.360 10 5 EGBERN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000593061366 459760473 /nfs/dbraw/zinc/76/04/73/459760473.db2.gz JOPMADFMNGQZNU-GFCCVEGCSA-N 0 0 331.347 3.281 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])CCC2)n1 ZINC000593063620 459761210 /nfs/dbraw/zinc/76/12/10/459761210.db2.gz UAKMRGBWOGTZOV-UHFFFAOYSA-N 0 0 349.387 3.237 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000596823928 459771488 /nfs/dbraw/zinc/77/14/88/459771488.db2.gz SRYOWYVTGWCHSG-RHSMWYFYSA-N 0 0 349.431 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000596844368 459776929 /nfs/dbraw/zinc/77/69/29/459776929.db2.gz XASFOKFQDCPELT-BMIGLBTASA-N 0 0 343.330 3.180 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000593119120 459778657 /nfs/dbraw/zinc/77/86/57/459778657.db2.gz USKSQOSRVBUHGN-UHFFFAOYSA-N 0 0 342.399 3.308 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000593138878 459785380 /nfs/dbraw/zinc/78/53/80/459785380.db2.gz VEPALUGEWAVABM-SECBINFHSA-N 0 0 334.269 3.077 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596891122 459788511 /nfs/dbraw/zinc/78/85/11/459788511.db2.gz PSUOSJVSCNJCOM-KRWDZBQOSA-N 0 0 349.387 3.026 10 5 EGBERN O=[N+]([O-])c1cccc(CN(Cc2cn(C3CCC3)nn2)C2CC2)c1 ZINC000596980251 459809696 /nfs/dbraw/zinc/80/96/96/459809696.db2.gz XYNAACIJZCOSMC-UHFFFAOYSA-N 0 0 327.388 3.076 10 5 EGBERN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000584859781 459815378 /nfs/dbraw/zinc/81/53/78/459815378.db2.gz WZWNZLXJUHKCJN-INIZCTEOSA-N 0 0 329.356 3.222 10 5 EGBERN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000584859784 459815525 /nfs/dbraw/zinc/81/55/25/459815525.db2.gz WZWNZLXJUHKCJN-MRXNPFEDSA-N 0 0 329.356 3.222 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593279946 459828129 /nfs/dbraw/zinc/82/81/29/459828129.db2.gz NALTUXISPXINHJ-QGZVFWFLSA-N 0 0 332.400 3.147 10 5 EGBERN CCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593297063 459832857 /nfs/dbraw/zinc/83/28/57/459832857.db2.gz WBAATXFEVPMJCK-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN CN(CCOC(C)(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101011 459837019 /nfs/dbraw/zinc/83/70/19/459837019.db2.gz OIJXTJCHCJRQLI-UHFFFAOYSA-N 0 0 344.799 3.109 10 5 EGBERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000593331167 459848234 /nfs/dbraw/zinc/84/82/34/459848234.db2.gz CZBYQRNAISAIOV-CQSZACIVSA-N 0 0 348.355 3.158 10 5 EGBERN CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585808442 459853773 /nfs/dbraw/zinc/85/37/73/459853773.db2.gz LNTROGJDMDHRFX-OAHLLOKOSA-N 0 0 335.404 3.127 10 5 EGBERN CC[C@H](NC(=O)N1C[C@@H](CC)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593370877 459868948 /nfs/dbraw/zinc/86/89/48/459868948.db2.gz OKNNFQYCJBLPSB-MAZHCROVSA-N 0 0 335.404 3.255 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000598339586 459871447 /nfs/dbraw/zinc/87/14/47/459871447.db2.gz AEIGCXCAYWEWDM-SKDRFNHKSA-N 0 0 344.383 3.483 10 5 EGBERN CC1(C)[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000598339972 459872175 /nfs/dbraw/zinc/87/21/75/459872175.db2.gz FIDDLYYMFWUZNL-NSHDSACASA-N 0 0 330.356 3.094 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000598350475 459874863 /nfs/dbraw/zinc/87/48/63/459874863.db2.gz JKGBEZPIVORHFY-AWEZNQCLSA-N 0 0 332.400 3.385 10 5 EGBERN CC(C)(O)C1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593396141 459877199 /nfs/dbraw/zinc/87/71/99/459877199.db2.gz NYPSEQAOSYRBOI-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC(C)(C2CC2)C2CC2)cc([N+](=O)[O-])c1 ZINC000598379879 459883119 /nfs/dbraw/zinc/88/31/19/459883119.db2.gz BZFXBYBLFDEACT-UHFFFAOYSA-N 0 0 346.383 3.080 10 5 EGBERN O=C(CCn1cccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835979 459883512 /nfs/dbraw/zinc/88/35/12/459883512.db2.gz RQOGQPXURVYZDB-UHFFFAOYSA-N 0 0 338.161 3.188 10 5 EGBERN COc1ccc(C)cc1[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587029572 459890461 /nfs/dbraw/zinc/89/04/61/459890461.db2.gz CZTQFKWMFXXASE-NSHDSACASA-N 0 0 331.372 3.159 10 5 EGBERN CCCCOc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587295815 459892544 /nfs/dbraw/zinc/89/25/44/459892544.db2.gz RQRAFKPZQZGNRF-UHFFFAOYSA-N 0 0 345.399 3.460 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000608973881 459897070 /nfs/dbraw/zinc/89/70/70/459897070.db2.gz UOHCNCKKXAQTAQ-AAEUAGOBSA-N 0 0 334.173 3.142 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976036 459897664 /nfs/dbraw/zinc/89/76/64/459897664.db2.gz LCKCROLGONQEED-HNAYVOBHSA-N 0 0 342.395 3.436 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000587987869 459898803 /nfs/dbraw/zinc/89/88/03/459898803.db2.gz NVXQDEABZZBVOI-CQSZACIVSA-N 0 0 345.330 3.175 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000593468707 459899283 /nfs/dbraw/zinc/89/92/83/459899283.db2.gz XDEJNJUOMVHTGG-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000598439701 459899549 /nfs/dbraw/zinc/89/95/49/459899549.db2.gz SZSZCNJTWLIHID-LLVKDONJSA-N 0 0 334.372 3.270 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000593473589 459900033 /nfs/dbraw/zinc/90/00/33/459900033.db2.gz SYRWWIOTIDLRBU-CYBMUJFWSA-N 0 0 343.774 3.444 10 5 EGBERN CC(C)(O)C1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000593478145 459900807 /nfs/dbraw/zinc/90/08/07/459900807.db2.gz TYHWRBFGNGBAOB-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN CO[C@H](C(=O)N1CCCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000597275355 459902091 /nfs/dbraw/zinc/90/20/91/459902091.db2.gz ICNNXWYQJJEIPD-KRWDZBQOSA-N 0 0 332.400 3.469 10 5 EGBERN CCC(CC)[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000588013274 459902888 /nfs/dbraw/zinc/90/28/88/459902888.db2.gz LIJVTDWPMOVRLV-BBRMVZONSA-N 0 0 337.420 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCC(C4(O)CC4)CC3)n2)cc1 ZINC000593481920 459902924 /nfs/dbraw/zinc/90/29/24/459902924.db2.gz KAAGALJBUNABHT-UHFFFAOYSA-N 0 0 345.424 3.460 10 5 EGBERN COc1cc(C(=O)NCC(F)(F)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000598465330 459903875 /nfs/dbraw/zinc/90/38/75/459903875.db2.gz LSCIDWJCKSHKPN-UHFFFAOYSA-N 0 0 346.330 3.023 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598469473 459905672 /nfs/dbraw/zinc/90/56/72/459905672.db2.gz NFYNGQGNIMGYFE-ZDUSSCGKSA-N 0 0 342.399 3.243 10 5 EGBERN CNc1ccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000598472138 459907453 /nfs/dbraw/zinc/90/74/53/459907453.db2.gz WLSUMXZABBBRQH-HNNXBMFYSA-N 0 0 339.395 3.439 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@@H]2Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000593521432 459914036 /nfs/dbraw/zinc/91/40/36/459914036.db2.gz RZHJJQQBBJSVSF-ZDUSSCGKSA-N 0 0 335.310 3.061 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC(C)(C)C1 ZINC000598504186 459923455 /nfs/dbraw/zinc/92/34/55/459923455.db2.gz GTDYDONHAJZPBX-VIFPVBQESA-N 0 0 326.780 3.320 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000597348084 459924694 /nfs/dbraw/zinc/92/46/94/459924694.db2.gz DOCFCNZRZNHWNS-UONOGXRCSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2onc3c2CCCC3)cc1[N+](=O)[O-] ZINC000597352924 459926083 /nfs/dbraw/zinc/92/60/83/459926083.db2.gz ZJMAXEVVTPRKHF-NSHDSACASA-N 0 0 329.356 3.261 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232432 459935021 /nfs/dbraw/zinc/93/50/21/459935021.db2.gz HGIXHJCHXRLJQA-KBPBESRZSA-N 0 0 336.342 3.195 10 5 EGBERN COCC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000598556760 459937431 /nfs/dbraw/zinc/93/74/31/459937431.db2.gz ZJKGUDUKRKKBEB-UHFFFAOYSA-N 0 0 345.399 3.015 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598565874 459939710 /nfs/dbraw/zinc/93/97/10/459939710.db2.gz SOUOGHHFQUZCDY-CLAHSXSESA-N 0 0 348.733 3.133 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598571361 459943972 /nfs/dbraw/zinc/94/39/72/459943972.db2.gz JFKVVGOGPUGQAI-GOSISDBHSA-N 0 0 337.379 3.286 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598576515 459947040 /nfs/dbraw/zinc/94/70/40/459947040.db2.gz UWSSXXVZWAPJIJ-MRXNPFEDSA-N 0 0 341.342 3.496 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC1CC1 ZINC000575199418 459948068 /nfs/dbraw/zinc/94/80/68/459948068.db2.gz SNEMMUAFCMZESL-UHFFFAOYSA-N 0 0 329.404 3.356 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000598579092 459948253 /nfs/dbraw/zinc/94/82/53/459948253.db2.gz WIRBEZAPSDSLKS-LBPRGKRZSA-N 0 0 326.352 3.411 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCC1(F)F ZINC000588650217 459959428 /nfs/dbraw/zinc/95/94/28/459959428.db2.gz MXNLVUGDKWFKLI-LBPRGKRZSA-N 0 0 347.749 3.278 10 5 EGBERN COC(=O)c1ccnc(N(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000598620185 459965770 /nfs/dbraw/zinc/96/57/70/459965770.db2.gz JGHVLCZFZWOYLO-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593759504 459976297 /nfs/dbraw/zinc/97/62/97/459976297.db2.gz MYWJQUPBYZYMEP-UHFFFAOYSA-N 0 0 329.400 3.354 10 5 EGBERN CC[C@H](NC(=O)NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598656282 459980803 /nfs/dbraw/zinc/98/08/03/459980803.db2.gz GLEOVQXMLIEZNQ-AAEUAGOBSA-N 0 0 327.331 3.390 10 5 EGBERN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](CC)CO1 ZINC000593790717 459986538 /nfs/dbraw/zinc/98/65/38/459986538.db2.gz JLQZMMQMSZPPFS-DGCLKSJQSA-N 0 0 331.372 3.106 10 5 EGBERN Cc1ccc2c(c1)[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC2 ZINC000588853172 459993345 /nfs/dbraw/zinc/99/33/45/459993345.db2.gz ZDDHXIMJGLGKEQ-KRWDZBQOSA-N 0 0 327.384 3.467 10 5 EGBERN Cc1c(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cccc1[N+](=O)[O-] ZINC000593816698 459994306 /nfs/dbraw/zinc/99/43/06/459994306.db2.gz PJLOJMPPIUYGOQ-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN O=C(Cc1ccsc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588937142 460009030 /nfs/dbraw/zinc/00/90/30/460009030.db2.gz VWBSGCITPVVKIF-UHFFFAOYSA-N 0 0 329.381 3.039 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])s1 ZINC000593916846 460016736 /nfs/dbraw/zinc/01/67/36/460016736.db2.gz SLMWQQWSXRSSQO-GFCCVEGCSA-N 0 0 331.397 3.203 10 5 EGBERN CC(=O)N1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000589102189 460029481 /nfs/dbraw/zinc/02/94/81/460029481.db2.gz XHCRNCLQUJXQMV-VIFPVBQESA-N 0 0 332.187 3.182 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693473 460030726 /nfs/dbraw/zinc/03/07/26/460030726.db2.gz DLRHPUZVWVSDPG-HOCLYGCPSA-N 0 0 339.395 3.500 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598779183 460030802 /nfs/dbraw/zinc/03/08/02/460030802.db2.gz BJBUXISBXSCTGJ-ZJUUUORDSA-N 0 0 330.356 3.237 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598781333 460032266 /nfs/dbraw/zinc/03/22/66/460032266.db2.gz ZEBSVBHYZPMSTA-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000598780138 460032508 /nfs/dbraw/zinc/03/25/08/460032508.db2.gz OSEHKNKLHDAUSO-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598784258 460033744 /nfs/dbraw/zinc/03/37/44/460033744.db2.gz ULBLMEPBNSXZML-QMMMGPOBSA-N 0 0 338.232 3.389 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1(C(F)(F)F)CCOCC1 ZINC000598806967 460042645 /nfs/dbraw/zinc/04/26/45/460042645.db2.gz BJZXZHZEXQMCHT-UHFFFAOYSA-N 0 0 336.241 3.032 10 5 EGBERN CO[C@@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)C1CCCCC1 ZINC000598821108 460050501 /nfs/dbraw/zinc/05/05/01/460050501.db2.gz KGGBNRPQVADHLQ-QGZVFWFLSA-N 0 0 332.400 3.469 10 5 EGBERN CC[C@H](NCc1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000618541016 460050745 /nfs/dbraw/zinc/05/07/45/460050745.db2.gz CRPGGYHDVJHKTO-HNNXBMFYSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000610102056 460064466 /nfs/dbraw/zinc/06/44/66/460064466.db2.gz AARZMINDHFRVGJ-MRXNPFEDSA-N 0 0 346.431 3.289 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598867473 460074782 /nfs/dbraw/zinc/07/47/82/460074782.db2.gz FRIOSOADVMPNIC-CYBMUJFWSA-N 0 0 332.400 3.042 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000610182209 460076847 /nfs/dbraw/zinc/07/68/47/460076847.db2.gz QNJGAUIQASNTAP-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594059250 460079788 /nfs/dbraw/zinc/07/97/88/460079788.db2.gz UZXKYRFFFBGIFP-CYBMUJFWSA-N 0 0 344.415 3.395 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000597863962 460083321 /nfs/dbraw/zinc/08/33/21/460083321.db2.gz KEWZPSCSIGNRKU-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000597863954 460084170 /nfs/dbraw/zinc/08/41/70/460084170.db2.gz KCZOHOOSBDWJPB-GFCCVEGCSA-N 0 0 340.383 3.098 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](C(F)F)C1CCCCC1 ZINC000598895948 460089449 /nfs/dbraw/zinc/08/94/49/460089449.db2.gz XHCFJSLFXFXIQX-HNNXBMFYSA-N 0 0 342.342 3.304 10 5 EGBERN COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000594080060 460092397 /nfs/dbraw/zinc/09/23/97/460092397.db2.gz FTQDRFFGGYTTQB-UHFFFAOYSA-N 0 0 347.293 3.162 10 5 EGBERN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000597883821 460095027 /nfs/dbraw/zinc/09/50/27/460095027.db2.gz HHRVKEAYUFGGLL-AWEZNQCLSA-N 0 0 331.347 3.188 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCc3cccnc32)s1 ZINC000598944849 460097543 /nfs/dbraw/zinc/09/75/43/460097543.db2.gz AJDSTRLRPFSVQJ-SNVBAGLBSA-N 0 0 327.369 3.136 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000598949009 460099125 /nfs/dbraw/zinc/09/91/25/460099125.db2.gz RTOZGVCPTUQAPG-ZDUSSCGKSA-N 0 0 343.408 3.172 10 5 EGBERN Cc1cn(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc1C(F)(F)F ZINC000598953553 460101344 /nfs/dbraw/zinc/10/13/44/460101344.db2.gz DEZSRPNOUDVDPG-UHFFFAOYSA-N 0 0 342.277 3.066 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccn1)C1CCC1 ZINC000598966884 460108638 /nfs/dbraw/zinc/10/86/38/460108638.db2.gz KMLWVUVQVCMXSU-KRWDZBQOSA-N 0 0 340.383 3.330 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000597917856 460109880 /nfs/dbraw/zinc/10/98/80/460109880.db2.gz BQDPVVDYIFPORE-AWEZNQCLSA-N 0 0 347.415 3.104 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597918337 460110725 /nfs/dbraw/zinc/11/07/25/460110725.db2.gz FYRMDWIUQLHJKD-GFCCVEGCSA-N 0 0 331.372 3.011 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597917916 460111444 /nfs/dbraw/zinc/11/14/44/460111444.db2.gz CRQPEKCPMQADSI-OAHLLOKOSA-N 0 0 334.416 3.194 10 5 EGBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])o2)CO1 ZINC000597931740 460116488 /nfs/dbraw/zinc/11/64/88/460116488.db2.gz VSUQXOIECWLRTF-CQSZACIVSA-N 0 0 344.367 3.398 10 5 EGBERN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597943695 460122325 /nfs/dbraw/zinc/12/23/25/460122325.db2.gz DOXATSITMYNOEQ-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594160205 460132869 /nfs/dbraw/zinc/13/28/69/460132869.db2.gz DGLLZKLIIMHAPM-ZWNOBZJWSA-N 0 0 346.305 3.133 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594174164 460136534 /nfs/dbraw/zinc/13/65/34/460136534.db2.gz KOFARUFIURXBMJ-LLVKDONJSA-N 0 0 326.343 3.468 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594174433 460137340 /nfs/dbraw/zinc/13/73/40/460137340.db2.gz HAFRLFXCXSBULJ-TZMCWYRMSA-N 0 0 338.429 3.151 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594175634 460137755 /nfs/dbraw/zinc/13/77/55/460137755.db2.gz MDLZQHBJFBZNNI-GJZGRUSLSA-N 0 0 340.807 3.255 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC(C2CC2)C1 ZINC000589772176 460138370 /nfs/dbraw/zinc/13/83/70/460138370.db2.gz VUPLUNNRKPAVAR-UHFFFAOYSA-N 0 0 340.177 3.231 10 5 EGBERN Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c[nH]c1=O ZINC000576432937 460139126 /nfs/dbraw/zinc/13/91/26/460139126.db2.gz GQGRTIXRJFWELF-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(C2CCC2)CC1 ZINC000597990189 460139524 /nfs/dbraw/zinc/13/95/24/460139524.db2.gz QQSZJUPSKDTXDT-UHFFFAOYSA-N 0 0 338.354 3.454 10 5 EGBERN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598015284 460145211 /nfs/dbraw/zinc/14/52/11/460145211.db2.gz SSRSMFNSQFCGRI-NSHDSACASA-N 0 0 334.401 3.121 10 5 EGBERN COc1ccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594201808 460148049 /nfs/dbraw/zinc/14/80/49/460148049.db2.gz AOMMAPKMQKRSSD-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000598059569 460156917 /nfs/dbraw/zinc/15/69/17/460156917.db2.gz GFDHNIVUEOYIFM-AULYBMBSSA-N 0 0 338.429 3.393 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCc2nc3ccccc3[nH]2)n1 ZINC000599090574 460157416 /nfs/dbraw/zinc/15/74/16/460157416.db2.gz FDXZTWLUBOVBDT-UHFFFAOYSA-N 0 0 325.372 3.162 10 5 EGBERN CN(Cc1noc(C2CC2)n1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599094039 460158863 /nfs/dbraw/zinc/15/88/63/460158863.db2.gz YLGNUDSALAUXRE-UHFFFAOYSA-N 0 0 325.328 3.040 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNc2ncnc3sccc32)n1 ZINC000599111465 460164218 /nfs/dbraw/zinc/16/42/18/460164218.db2.gz FTCDJQMLPDIYJQ-UHFFFAOYSA-N 0 0 344.400 3.135 10 5 EGBERN CC(C)(CNc1ccc2cnccc2c1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000599110468 460164280 /nfs/dbraw/zinc/16/42/80/460164280.db2.gz SQCOFISPFDGCFI-SFHVURJKSA-N 0 0 345.399 3.123 10 5 EGBERN CC(=O)c1ccc(NC[C@@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599117769 460164796 /nfs/dbraw/zinc/16/47/96/460164796.db2.gz QJBQLAUPWRYOFK-CYBMUJFWSA-N 0 0 342.277 3.209 10 5 EGBERN CC(=O)c1cc(NC[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599115787 460165243 /nfs/dbraw/zinc/16/52/43/460165243.db2.gz DBVYWOOISRDNBH-ZDUSSCGKSA-N 0 0 342.277 3.209 10 5 EGBERN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594242235 460167691 /nfs/dbraw/zinc/16/76/91/460167691.db2.gz NIXBKWFRLGSBEV-HOCLYGCPSA-N 0 0 335.404 3.050 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])c1 ZINC000599124998 460167799 /nfs/dbraw/zinc/16/77/99/460167799.db2.gz XYPHGWGZGUCJHN-INIZCTEOSA-N 0 0 326.352 3.351 10 5 EGBERN CCC(C)(C)OC1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000599136637 460171142 /nfs/dbraw/zinc/17/11/42/460171142.db2.gz YNGSBINRJWEOOW-UHFFFAOYSA-N 0 0 344.209 3.146 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594252919 460173313 /nfs/dbraw/zinc/17/33/13/460173313.db2.gz CIJYHJWATPZVOZ-IAGOWNOFSA-N 0 0 347.415 3.084 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598100152 460174236 /nfs/dbraw/zinc/17/42/36/460174236.db2.gz IYURDPQSCNVHET-MEDUHNTESA-N 0 0 328.343 3.121 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCc2nc(C3CC3)ncc2C1 ZINC000599159925 460182510 /nfs/dbraw/zinc/18/25/10/460182510.db2.gz HTTHHZSOAYCOPO-UHFFFAOYSA-N 0 0 347.378 3.373 10 5 EGBERN CCOc1ncccc1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000610556106 460182808 /nfs/dbraw/zinc/18/28/08/460182808.db2.gz DLAFRIXQMQHYSF-OAHLLOKOSA-N 0 0 329.356 3.270 10 5 EGBERN C[C@@H]1C[C@H](CO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000599189385 460194008 /nfs/dbraw/zinc/19/40/08/460194008.db2.gz CYOVOXYTWSCCJD-VXGBXAGGSA-N 0 0 333.413 3.316 10 5 EGBERN C[C@@H](c1nc([C@H](C)c2cnccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC000599194064 460195138 /nfs/dbraw/zinc/19/51/38/460195138.db2.gz OOPKTGNEFPAKRL-GHMZBOCLSA-N 0 0 325.328 3.071 10 5 EGBERN COC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000614655160 460195082 /nfs/dbraw/zinc/19/50/82/460195082.db2.gz XWGOODNCSJUEKG-INIZCTEOSA-N 0 0 332.331 3.046 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000599199546 460197005 /nfs/dbraw/zinc/19/70/05/460197005.db2.gz IGDORSBVFNOMBS-MUBLQREKSA-N 0 0 333.388 3.267 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598208560 460204590 /nfs/dbraw/zinc/20/45/90/460204590.db2.gz OLWHNWCQPWIZLC-SLEUVZQESA-N 0 0 327.384 3.171 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598212519 460206598 /nfs/dbraw/zinc/20/65/98/460206598.db2.gz KBXUEGUQGGDGTN-YPMHNXCESA-N 0 0 338.429 3.394 10 5 EGBERN COc1cc(C(=O)N2CC(Cc3cccc(C)c3)C2)ccc1[N+](=O)[O-] ZINC000610660036 460206828 /nfs/dbraw/zinc/20/68/28/460206828.db2.gz UTQBOIGXQGPWOL-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN C[C@]1(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000598217024 460208851 /nfs/dbraw/zinc/20/88/51/460208851.db2.gz VOQMCCQYWJJYNP-ZDUSSCGKSA-N 0 0 330.356 3.239 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594410564 460209846 /nfs/dbraw/zinc/20/98/46/460209846.db2.gz JMURGPSZFQSGBS-NVXWUHKLSA-N 0 0 348.399 3.022 10 5 EGBERN Cc1ccc(CC2CN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000598234752 460216711 /nfs/dbraw/zinc/21/67/11/460216711.db2.gz MDEUJZUAKFPMTP-UHFFFAOYSA-N 0 0 342.399 3.064 10 5 EGBERN CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610769872 460234141 /nfs/dbraw/zinc/23/41/41/460234141.db2.gz VSROUZIAAZSPGN-UHFFFAOYSA-N 0 0 329.356 3.051 10 5 EGBERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610770072 460234663 /nfs/dbraw/zinc/23/46/63/460234663.db2.gz AOQVMPXOVXZCCQ-UHFFFAOYSA-N 0 0 329.400 3.278 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599521417 460266920 /nfs/dbraw/zinc/26/69/20/460266920.db2.gz HVJXVGALXAWJJG-PYLYLYNFSA-N 0 0 338.429 3.103 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610969141 460267945 /nfs/dbraw/zinc/26/79/45/460267945.db2.gz BEDUBHCOLOWALY-UHFFFAOYSA-N 0 0 349.387 3.182 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000610980419 460270194 /nfs/dbraw/zinc/27/01/94/460270194.db2.gz SSERIZHPBSIPRK-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN Cc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000611112473 460290510 /nfs/dbraw/zinc/29/05/10/460290510.db2.gz PPLSITQZJLVJIC-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702958 460316449 /nfs/dbraw/zinc/31/64/49/460316449.db2.gz VOWPMFOUIBWBFR-YDEXJTGXSA-N 0 0 327.768 3.182 10 5 EGBERN O=C(CC1CCC(F)(F)CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599736829 460324023 /nfs/dbraw/zinc/32/40/23/460324023.db2.gz JEWFWTJZBBBSPJ-UHFFFAOYSA-N 0 0 339.342 3.090 10 5 EGBERN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000599740131 460324984 /nfs/dbraw/zinc/32/49/84/460324984.db2.gz YHSCKXKJRGOOCE-QMMMGPOBSA-N 0 0 338.713 3.495 10 5 EGBERN O=[N+]([O-])c1ncccc1NCCN1CCc2c(Cl)cccc2C1 ZINC000615498601 460337448 /nfs/dbraw/zinc/33/74/48/460337448.db2.gz QPQVRMGNCUDAIQ-UHFFFAOYSA-N 0 0 332.791 3.113 10 5 EGBERN CCO[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830610 460342862 /nfs/dbraw/zinc/34/28/62/460342862.db2.gz VGWFEAUTCBKWCK-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@H]1CSCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834850 460344545 /nfs/dbraw/zinc/34/45/45/460344545.db2.gz JKMBEHASKXUCAS-LLVKDONJSA-N 0 0 346.412 3.360 10 5 EGBERN CCC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OCC ZINC000599835068 460344705 /nfs/dbraw/zinc/34/47/05/460344705.db2.gz UFNUEYRPAIUTCK-GFCCVEGCSA-N 0 0 346.387 3.470 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835739 460345498 /nfs/dbraw/zinc/34/54/98/460345498.db2.gz NVOARUZDFRIULD-ZDUSSCGKSA-N 0 0 332.385 3.159 10 5 EGBERN CCOC(=O)[C@H](CNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000611370566 460346273 /nfs/dbraw/zinc/34/62/73/460346273.db2.gz WNSJEMFMKULREP-ZDUSSCGKSA-N 0 0 334.397 3.490 10 5 EGBERN CC[C@](C)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599839010 460346324 /nfs/dbraw/zinc/34/63/24/460346324.db2.gz NNCLIODXSXXFBQ-MRXNPFEDSA-N 0 0 332.360 3.080 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611372713 460347761 /nfs/dbraw/zinc/34/77/61/460347761.db2.gz BSDSPXVXQOOGHW-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000611484835 460374728 /nfs/dbraw/zinc/37/47/28/460374728.db2.gz TXFXWZVZKIXQFM-ZBFHGGJFSA-N 0 0 329.400 3.113 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000619534958 460377072 /nfs/dbraw/zinc/37/70/72/460377072.db2.gz KDXAWHWBIFSWDX-MKBZDKFGSA-N 0 0 346.427 3.266 10 5 EGBERN Cc1c(NC(=O)N2CC=CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000619541129 460377582 /nfs/dbraw/zinc/37/75/82/460377582.db2.gz YGVYPUWOTCKPRT-UHFFFAOYSA-N 0 0 340.177 3.460 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1F ZINC000611503309 460379427 /nfs/dbraw/zinc/37/94/27/460379427.db2.gz PYIYNYVFBHJOOQ-WPRPVWTQSA-N 0 0 347.293 3.408 10 5 EGBERN C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611513706 460384611 /nfs/dbraw/zinc/38/46/11/460384611.db2.gz GIPMGRQQSFCNOG-GWCFXTLKSA-N 0 0 343.786 3.180 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611549372 460395711 /nfs/dbraw/zinc/39/57/11/460395711.db2.gz RAJPIGYDBLVZOD-WPRPVWTQSA-N 0 0 331.294 3.101 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611593632 460412966 /nfs/dbraw/zinc/41/29/66/460412966.db2.gz VBZBOXVABVXQKR-JTQLQIEISA-N 0 0 329.303 3.139 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CC1 ZINC000611614972 460413912 /nfs/dbraw/zinc/41/39/12/460413912.db2.gz PPOVAQRRWAVCAW-LLVKDONJSA-N 0 0 326.299 3.211 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCOC1 ZINC000600164333 460415319 /nfs/dbraw/zinc/41/53/19/460415319.db2.gz GYIWOYCCJRNROT-GFCCVEGCSA-N 0 0 338.429 3.253 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000600166196 460416806 /nfs/dbraw/zinc/41/68/06/460416806.db2.gz KJMWTFOHEMGZRO-UHFFFAOYSA-N 0 0 344.415 3.041 10 5 EGBERN Cn1ccnc1C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619696463 460417603 /nfs/dbraw/zinc/41/76/03/460417603.db2.gz QADMJXSRLZAQKM-GFCCVEGCSA-N 0 0 329.385 3.181 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611667156 460426457 /nfs/dbraw/zinc/42/64/57/460426457.db2.gz BZZWUBSIBFPEML-WPRPVWTQSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)CCCC2 ZINC000604474625 460430324 /nfs/dbraw/zinc/43/03/24/460430324.db2.gz FMNNQDBLOYGLMD-UHFFFAOYSA-N 0 0 326.352 3.109 10 5 EGBERN CC(C)(C)c1ccc(Cl)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000619760886 460434861 /nfs/dbraw/zinc/43/48/61/460434861.db2.gz OXKLTPCIWLSWFN-UHFFFAOYSA-N 0 0 336.779 3.381 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](c4ccsc4)C3)c2c1 ZINC000611709093 460435511 /nfs/dbraw/zinc/43/55/11/460435511.db2.gz PWWIZXUBTNXMEI-HNNXBMFYSA-N 0 0 342.380 3.177 10 5 EGBERN COc1ccccc1N1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000604512042 460438702 /nfs/dbraw/zinc/43/87/02/460438702.db2.gz CGRBOQPYBAEJQG-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000600212678 460443869 /nfs/dbraw/zinc/44/38/69/460443869.db2.gz ZPOJMNGTUJKCSL-UKRRQHHQSA-N 0 0 340.379 3.127 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000619810227 460447864 /nfs/dbraw/zinc/44/78/64/460447864.db2.gz DXMHUFHXTRDAEU-SMDDNHRTSA-N 0 0 333.367 3.058 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2OCCc3ccccc32)c1 ZINC000611752888 460450724 /nfs/dbraw/zinc/45/07/24/460450724.db2.gz BASLCUVLGMSYFA-QGZVFWFLSA-N 0 0 342.351 3.107 10 5 EGBERN CCOc1cc(N2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000611763784 460453662 /nfs/dbraw/zinc/45/36/62/460453662.db2.gz KIGKMTPMNVDJMV-HNNXBMFYSA-N 0 0 327.384 3.458 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600268149 460460834 /nfs/dbraw/zinc/46/08/34/460460834.db2.gz OFCCVEXGIJNTTM-UHFFFAOYSA-N 0 0 332.356 3.371 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000600299880 460467188 /nfs/dbraw/zinc/46/71/88/460467188.db2.gz AUSGXRDDBKCSNV-KRWDZBQOSA-N 0 0 341.367 3.270 10 5 EGBERN CC1(C)CC(=O)CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000600305598 460468720 /nfs/dbraw/zinc/46/87/20/460468720.db2.gz SROILLJRTAVVAX-UHFFFAOYSA-N 0 0 347.415 3.005 10 5 EGBERN C[C@H](C(=O)N1CCC(=O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600305327 460468965 /nfs/dbraw/zinc/46/89/65/460468965.db2.gz PVPWXIIEJAJXPN-NSHDSACASA-N 0 0 336.363 3.055 10 5 EGBERN C[C@H](C(=O)N[C@]1(CO)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600362278 460481941 /nfs/dbraw/zinc/48/19/41/460481941.db2.gz LYHSIOHMSVWCTM-SCLBCKFNSA-N 0 0 334.416 3.146 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600380429 460486701 /nfs/dbraw/zinc/48/67/01/460486701.db2.gz WKLBWJVTSHRECG-UHFFFAOYSA-N 0 0 326.221 3.389 10 5 EGBERN COC(=O)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000600410769 460490706 /nfs/dbraw/zinc/49/07/06/460490706.db2.gz LLNVGXVREBAKBY-AWEZNQCLSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC000600474271 460501552 /nfs/dbraw/zinc/50/15/52/460501552.db2.gz KERSPQHRJDSNRT-CQSZACIVSA-N 0 0 330.388 3.072 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1cccc(C)c1[N+](=O)[O-] ZINC000600536244 460515929 /nfs/dbraw/zinc/51/59/29/460515929.db2.gz LFHHCISBUGCBTB-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN COc1cccc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000612096537 460538743 /nfs/dbraw/zinc/53/87/43/460538743.db2.gz KQYGCHPIVHPFKN-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)c1ccccn1 ZINC000601169574 460740099 /nfs/dbraw/zinc/74/00/99/460740099.db2.gz CYJXPNKAPIVTPU-UHFFFAOYSA-N 0 0 343.309 3.132 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1Cc2cc(F)c(F)cc2C1 ZINC000601190363 460746516 /nfs/dbraw/zinc/74/65/16/460746516.db2.gz WTZXPUHABNUZOK-UHFFFAOYSA-N 0 0 348.231 3.146 10 5 EGBERN CCn1nc(C)c(CN(C)c2ncnc3cccc([N+](=O)[O-])c32)c1C ZINC000601208834 460751136 /nfs/dbraw/zinc/75/11/36/460751136.db2.gz NBNMMEPEDMQTAY-UHFFFAOYSA-N 0 0 340.387 3.008 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000601228249 460757537 /nfs/dbraw/zinc/75/75/37/460757537.db2.gz YUDZVCOWLUIFNT-CYBMUJFWSA-N 0 0 326.356 3.320 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cnn3c2CCCC3)c(Br)c1 ZINC000601232381 460758338 /nfs/dbraw/zinc/75/83/38/460758338.db2.gz QPKBNDDRWCVCIV-UHFFFAOYSA-N 0 0 338.165 3.029 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1cccc2c1CCOC2 ZINC000601239649 460762751 /nfs/dbraw/zinc/76/27/51/460762751.db2.gz PRLAYNVQHJLXAQ-UHFFFAOYSA-N 0 0 328.368 3.426 10 5 EGBERN CC[C@@H](NC(=O)c1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601280136 460774197 /nfs/dbraw/zinc/77/41/97/460774197.db2.gz CURNGKRCDHEFGH-MRXNPFEDSA-N 0 0 342.399 3.473 10 5 EGBERN CC[C@@H](NC(=O)[C@H](C)OCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000601281018 460774617 /nfs/dbraw/zinc/77/46/17/460774617.db2.gz KLUOSCLKRNGOQA-SUMWQHHRSA-N 0 0 343.383 3.162 10 5 EGBERN Cc1c(CN[C@H](C)c2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000613062686 460817480 /nfs/dbraw/zinc/81/74/80/460817480.db2.gz PIBZEPBCPIZKQE-CYBMUJFWSA-N 0 0 329.404 3.072 10 5 EGBERN C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCS1 ZINC000601527613 460825035 /nfs/dbraw/zinc/82/50/35/460825035.db2.gz JAIQSHRTASPKDB-CYBMUJFWSA-N 0 0 334.441 3.371 10 5 EGBERN CC[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C ZINC000601541744 460827923 /nfs/dbraw/zinc/82/79/23/460827923.db2.gz WNQMFHGYSRMNEM-ZDUSSCGKSA-N 0 0 336.436 3.417 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3ccccc32)cc1[N+](=O)[O-] ZINC000613114261 460832086 /nfs/dbraw/zinc/83/20/86/460832086.db2.gz RNSGLBFYHKMTEO-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)cc2C)n1 ZINC000617370431 460834466 /nfs/dbraw/zinc/83/44/66/460834466.db2.gz ZCIIBFYQPYPRJM-UHFFFAOYSA-N 0 0 332.360 3.159 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000601612017 460846608 /nfs/dbraw/zinc/84/66/08/460846608.db2.gz KBUHEHBTIACZFR-RHSMWYFYSA-N 0 0 339.395 3.500 10 5 EGBERN COC[C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601623728 460850282 /nfs/dbraw/zinc/85/02/82/460850282.db2.gz YFCGUWOPRAOLQB-OAHLLOKOSA-N 0 0 346.427 3.292 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000601659282 460859929 /nfs/dbraw/zinc/85/99/29/460859929.db2.gz NTIAHAWPXLHQRW-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccccn1 ZINC000601664266 460861968 /nfs/dbraw/zinc/86/19/68/460861968.db2.gz KTFPUCVKWVBVPO-CQSZACIVSA-N 0 0 339.395 3.331 10 5 EGBERN O=C(N1CC(Cc2ccco2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684893 460867419 /nfs/dbraw/zinc/86/74/19/460867419.db2.gz ZUCVEMJNBWAXTC-UHFFFAOYSA-N 0 0 340.379 3.311 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000601706239 460878881 /nfs/dbraw/zinc/87/88/81/460878881.db2.gz VJROHQFGJORWEE-LBPRGKRZSA-N 0 0 344.415 3.190 10 5 EGBERN Cc1cccc([C@H](C)C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601773693 460894287 /nfs/dbraw/zinc/89/42/87/460894287.db2.gz AQNOHULDNKVIIK-IFXJQAMLSA-N 0 0 342.395 3.031 10 5 EGBERN CC[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601773638 460894374 /nfs/dbraw/zinc/89/43/74/460894374.db2.gz AGOZFGALVSNHPY-PKOBYXMFSA-N 0 0 342.395 3.112 10 5 EGBERN C[C@](CO)(NC(=O)[C@H]1CCCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601778649 460895969 /nfs/dbraw/zinc/89/59/69/460895969.db2.gz PACDRCCUTGUPSX-CRAIPNDOSA-N 0 0 334.416 3.135 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000613285263 460896047 /nfs/dbraw/zinc/89/60/47/460896047.db2.gz IKDOHPALRYMHKH-ZDUSSCGKSA-N 0 0 335.404 3.165 10 5 EGBERN C[C@](CO)(NC(=O)[C@@H]1CCCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601778650 460896159 /nfs/dbraw/zinc/89/61/59/460896159.db2.gz PACDRCCUTGUPSX-MAUKXSAKSA-N 0 0 334.416 3.135 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn3c2CCCC3)c1 ZINC000601823901 460912582 /nfs/dbraw/zinc/91/25/82/460912582.db2.gz FMAQETRHORDVHZ-UHFFFAOYSA-N 0 0 332.385 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NCc1c(Br)cnn1C ZINC000601925901 460946578 /nfs/dbraw/zinc/94/65/78/460946578.db2.gz JQERMXRMDTWWOC-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN C[C@H]1SCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000649172392 462429835 /nfs/dbraw/zinc/42/98/35/462429835.db2.gz FMFSNAPOABBECK-IAQYHMDHSA-N 0 0 338.432 3.305 10 5 EGBERN COCCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795517 468660536 /nfs/dbraw/zinc/66/05/36/468660536.db2.gz YTGYTLSDZPXUQE-UHFFFAOYSA-N 0 0 345.399 3.030 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cs1 ZINC000187036439 534604982 /nfs/dbraw/zinc/60/49/82/534604982.db2.gz KJOLYILZXMNICB-OAHLLOKOSA-N 0 0 347.396 3.102 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000129396350 534618034 /nfs/dbraw/zinc/61/80/34/534618034.db2.gz IIBZTDVWCADEHN-UHFFFAOYSA-N 0 0 346.387 3.054 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C(F)(F)F)CC1 ZINC000351820439 535429880 /nfs/dbraw/zinc/42/98/80/535429880.db2.gz GKCUBQNVDAPENK-UHFFFAOYSA-N 0 0 347.293 3.458 10 5 EGBERN COc1ccccc1N1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193399528 537061978 /nfs/dbraw/zinc/06/19/78/537061978.db2.gz CCYWTCNVCOGSIE-UHFFFAOYSA-N 0 0 342.399 3.267 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729630461 574875161 /nfs/dbraw/zinc/87/51/61/574875161.db2.gz OFKWQQCMQXTMBN-UHFFFAOYSA-N 0 0 348.428 3.263 10 5 EGBERN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000730452658 574988976 /nfs/dbraw/zinc/98/89/76/574988976.db2.gz NTDYJFXMZFXEDI-DLBZAZTESA-N 0 0 325.368 3.403 10 5 EGBERN CCC(C)(C)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000730703192 575011053 /nfs/dbraw/zinc/01/10/53/575011053.db2.gz KYOWFMBOPQKORE-ZDUSSCGKSA-N 0 0 348.399 3.179 10 5 EGBERN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2ncon2)cc1 ZINC000730626570 575006097 /nfs/dbraw/zinc/00/60/97/575006097.db2.gz SFCNDMUAWZQTGA-UHFFFAOYSA-N 0 0 325.280 3.002 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000732403396 575267143 /nfs/dbraw/zinc/26/71/43/575267143.db2.gz AQOWMZBOFIDLAQ-VOTSOKGWSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C\C(C)(C)C)cccc1[N+](=O)[O-] ZINC000732405493 575267500 /nfs/dbraw/zinc/26/75/00/575267500.db2.gz UCGIXZRMKBQDSL-ZWLSGLHFSA-N 0 0 334.372 3.376 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000196379457 575315905 /nfs/dbraw/zinc/31/59/05/575315905.db2.gz PODHADURJORYKZ-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN CC(C)(C)C1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000734829396 575561699 /nfs/dbraw/zinc/56/16/99/575561699.db2.gz NRFRDSUEEUJPHN-UHFFFAOYSA-N 0 0 345.241 3.269 10 5 EGBERN CC(C)(C)OC(=O)C1(NCc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000735872865 575726248 /nfs/dbraw/zinc/72/62/48/575726248.db2.gz AJGGIDZUMKYLOG-UHFFFAOYSA-N 0 0 338.379 3.478 10 5 EGBERN Cc1ccc(/C=C\S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000738390695 576320928 /nfs/dbraw/zinc/32/09/28/576320928.db2.gz HUIDZZVMLFKYCF-BENRWUELSA-N 0 0 344.392 3.266 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000740256356 576570732 /nfs/dbraw/zinc/57/07/32/576570732.db2.gz FHNYCDHYANFGCX-UHFFFAOYSA-N 0 0 348.311 3.406 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cnn(CC(C)C)c2)c([N+](=O)[O-])c1 ZINC000742424695 576782806 /nfs/dbraw/zinc/78/28/06/576782806.db2.gz AMGIDCPLIIQPPK-ALCCZGGFSA-N 0 0 344.371 3.377 10 5 EGBERN CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000743144959 576802284 /nfs/dbraw/zinc/80/22/84/576802284.db2.gz SHFMNWVCWKMGNH-JTQLQIEISA-N 0 0 348.380 3.210 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000744190429 576822680 /nfs/dbraw/zinc/82/26/80/576822680.db2.gz RZVCELATOVVSKD-UHOFOFEASA-N 0 0 349.383 3.354 10 5 EGBERN CCOc1ccc(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000744190430 576822703 /nfs/dbraw/zinc/82/27/03/576822703.db2.gz RZVCELATOVVSKD-VBNZEHGJSA-N 0 0 349.383 3.354 10 5 EGBERN O=[N+]([O-])c1cn(CCSC(F)(F)F)nc1-c1ccc(F)cn1 ZINC000877890141 1299620028 /nfs/dbraw/zinc/62/00/28/1299620028.db2.gz DJBQMRWPLRGPPA-UHFFFAOYSA-N 0 0 336.270 3.245 10 5 EGBERN COC(=O)c1ccccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006549317 1291047518 /nfs/dbraw/zinc/04/75/18/1291047518.db2.gz OCALZDXVHGRNHI-MDZDMXLPSA-N 0 0 327.292 3.000 10 5 EGBERN CCOc1ccc(C(=O)OCc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000174681151 1294515763 /nfs/dbraw/zinc/51/57/63/1294515763.db2.gz RZKINAGHFIOKOX-UHFFFAOYSA-N 0 0 336.369 3.424 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000176092274 1294590712 /nfs/dbraw/zinc/59/07/12/1294590712.db2.gz MNZPZEPFGVYCCT-RYUDHWBXSA-N 0 0 333.344 3.074 10 5 EGBERN CN(C)c1cc(F)c(C(=O)N2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000870280793 1295786430 /nfs/dbraw/zinc/78/64/30/1295786430.db2.gz QIXMJNAUPZATMN-UHFFFAOYSA-N 0 0 341.358 3.012 10 5 EGBERN CC(C)(C(=O)OCc1ccnn1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000870740959 1296056928 /nfs/dbraw/zinc/05/69/28/1296056928.db2.gz BDKYIMVDXZJGJS-UHFFFAOYSA-N 0 0 339.298 3.207 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000870828351 1296105889 /nfs/dbraw/zinc/10/58/89/1296105889.db2.gz PBUYOOGXQBTSGP-GHHKWEBWSA-N 0 0 347.293 3.017 10 5 EGBERN CC(C)[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829312 1296106724 /nfs/dbraw/zinc/10/67/24/1296106724.db2.gz KJMGZGDCLRTHLX-PREGVCBESA-N 0 0 343.383 3.478 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCCS2)c1 ZINC000871027167 1296183559 /nfs/dbraw/zinc/18/35/59/1296183559.db2.gz VWYMXIJSLJUZCR-JTQLQIEISA-N 0 0 326.443 3.332 10 5 EGBERN CC(C)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000871172119 1296259898 /nfs/dbraw/zinc/25/98/98/1296259898.db2.gz PWXZVWDCWHEGMI-MRXNPFEDSA-N 0 0 348.399 3.022 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871210424 1296274326 /nfs/dbraw/zinc/27/43/26/1296274326.db2.gz JBKHEJJXPAOZQX-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871326117 1296350575 /nfs/dbraw/zinc/35/05/75/1296350575.db2.gz AXJJZQGHRCYHBG-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000871505293 1296418255 /nfs/dbraw/zinc/41/82/55/1296418255.db2.gz QNCUNHYRDVMLNK-UHFFFAOYSA-N 0 0 346.330 3.239 10 5 EGBERN C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020711 1296664127 /nfs/dbraw/zinc/66/41/27/1296664127.db2.gz KMLBAQCSKPTGEF-LBPRGKRZSA-N 0 0 345.374 3.287 10 5 EGBERN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872044868 1296694517 /nfs/dbraw/zinc/69/45/17/1296694517.db2.gz GTRGFYFVJKADBK-RNCFNFMXSA-N 0 0 340.301 3.396 10 5 EGBERN C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063837 1296710052 /nfs/dbraw/zinc/71/00/52/1296710052.db2.gz UBOGCEZVRPIHGV-GHMZBOCLSA-N 0 0 341.383 3.298 10 5 EGBERN CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2cccnc21 ZINC000872265405 1296867524 /nfs/dbraw/zinc/86/75/24/1296867524.db2.gz PODQQLTZNQIJBS-UHFFFAOYSA-N 0 0 332.791 3.095 10 5 EGBERN CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000873572496 1297597069 /nfs/dbraw/zinc/59/70/69/1297597069.db2.gz WHNGRVBRMSNFJZ-KBPBESRZSA-N 0 0 325.336 3.484 10 5 EGBERN CC[C@@H]1C[C@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000585125453 1298033544 /nfs/dbraw/zinc/03/35/44/1298033544.db2.gz SSXIFMVQGUCUND-IUODEOHRSA-N 0 0 343.383 3.099 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000882165318 1301855814 /nfs/dbraw/zinc/85/58/14/1301855814.db2.gz VQVOOTJZKATNOV-GOSISDBHSA-N 0 0 344.342 3.034 10 5 EGBERN CC(=O)c1c(N(C)C[C@@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000882513920 1301999010 /nfs/dbraw/zinc/99/90/10/1301999010.db2.gz REIPSZZNLZHTJN-IBGZPJMESA-N 0 0 340.379 3.068 10 5 EGBERN C[C@H](C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000882549907 1302015537 /nfs/dbraw/zinc/01/55/37/1302015537.db2.gz OZSAKEUJNXCMMV-WCQYABFASA-N 0 0 336.363 3.055 10 5 EGBERN CC(=O)c1c(NCC2(O)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000882634025 1302040466 /nfs/dbraw/zinc/04/04/66/1302040466.db2.gz HWYUTXRPWIDRRS-UHFFFAOYSA-N 0 0 328.315 3.150 10 5 EGBERN C/C(=C/C(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000887089910 1303670141 /nfs/dbraw/zinc/67/01/41/1303670141.db2.gz ACOCTBBYRXJKLF-AHKFDXCISA-N 0 0 330.384 3.216 10 5 EGBERN CC(=O)[C@H]1CC[C@H](NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000887255448 1303721493 /nfs/dbraw/zinc/72/14/93/1303721493.db2.gz OJCFNVMEBFDUSH-VTECNZMCSA-N 0 0 330.384 3.262 10 5 EGBERN CC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000887404909 1303784627 /nfs/dbraw/zinc/78/46/27/1303784627.db2.gz OYUCHBJRMCAELI-SNVBAGLBSA-N 0 0 332.381 3.392 10 5 EGBERN CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000888796034 1304277963 /nfs/dbraw/zinc/27/79/63/1304277963.db2.gz BAGKXRKEVKTOBS-AEGPPILISA-N 0 0 334.441 3.489 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888823437 1304289757 /nfs/dbraw/zinc/28/97/57/1304289757.db2.gz BMGXZNBNXFMKRG-LIRRHRJNSA-N 0 0 337.379 3.450 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000890172989 1304691965 /nfs/dbraw/zinc/69/19/65/1304691965.db2.gz ZDOBUMVXJARMJR-GBBNAMRBSA-N 0 0 342.395 3.074 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000891416275 1305045876 /nfs/dbraw/zinc/04/58/76/1305045876.db2.gz PILDQJKMSTYBIN-QGZVFWFLSA-N 0 0 346.383 3.065 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)c1C ZINC000893162402 1305738873 /nfs/dbraw/zinc/73/88/73/1305738873.db2.gz KTQBEODVILCOIN-WMLDXEAASA-N 0 0 332.400 3.147 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCCc3nccnc32)c1C ZINC000893287767 1305807306 /nfs/dbraw/zinc/80/73/06/1305807306.db2.gz DJSDVOXHKNEERM-AWEZNQCLSA-N 0 0 327.340 3.236 10 5 EGBERN O=C(OCCc1ccns1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000893378540 1305859270 /nfs/dbraw/zinc/85/92/70/1305859270.db2.gz FHNQGLZGFCUSIU-UHFFFAOYSA-N 0 0 347.396 3.051 10 5 EGBERN Cn1c(C(=O)N2CCCSC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000893773135 1306071718 /nfs/dbraw/zinc/07/17/18/1306071718.db2.gz GEVZTFMQNMRSHI-HNNXBMFYSA-N 0 0 345.424 3.254 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893858644 1306100908 /nfs/dbraw/zinc/10/09/08/1306100908.db2.gz RHMQAPCRUQQDGF-WCQYABFASA-N 0 0 340.807 3.492 10 5 EGBERN CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893862143 1306102852 /nfs/dbraw/zinc/10/28/52/1306102852.db2.gz BHBFUFVFAZOURM-FZMZJTMJSA-N 0 0 338.429 3.252 10 5 EGBERN Cn1cc(Cl)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000893935817 1306136863 /nfs/dbraw/zinc/13/68/63/1306136863.db2.gz IMEYFZXFIZXUBM-UHFFFAOYSA-N 0 0 340.742 3.037 10 5 EGBERN CC(C)(C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000894268669 1306313728 /nfs/dbraw/zinc/31/37/28/1306313728.db2.gz JWULMLOZPUIRDI-UHFFFAOYSA-N 0 0 347.346 3.193 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000894495056 1308921150 /nfs/dbraw/zinc/92/11/50/1308921150.db2.gz RQBZMZPHKAMCAC-HRCADAONSA-N 0 0 332.400 3.020 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000894528254 1308938593 /nfs/dbraw/zinc/93/85/93/1308938593.db2.gz OSLZVWNZAMFPBM-CQSZACIVSA-N 0 0 346.427 3.338 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000894666212 1309013039 /nfs/dbraw/zinc/01/30/39/1309013039.db2.gz UITYJXYPMPZPHL-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1sc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000894667894 1309013564 /nfs/dbraw/zinc/01/35/64/1309013564.db2.gz OOJBEHUBTWQQQD-OAHLLOKOSA-N 0 0 338.429 3.434 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](N(C)C)C(F)(F)F ZINC000896109501 1309704020 /nfs/dbraw/zinc/70/40/20/1309704020.db2.gz ILSSLHPIDXUIFO-ZDUSSCGKSA-N 0 0 333.310 3.092 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@]23C[C@H]2COC32CCC2)c(C(F)(F)F)c1 ZINC000897262188 1310252047 /nfs/dbraw/zinc/25/20/47/1310252047.db2.gz URHSPQHKWJVBFH-TVQRCGJNSA-N 0 0 343.305 3.380 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000897563560 1310382575 /nfs/dbraw/zinc/38/25/75/1310382575.db2.gz WWPYDGZRNYFUGA-LSDHHAIUSA-N 0 0 332.400 3.440 10 5 EGBERN CC1(CC(F)F)CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000898083799 1310581733 /nfs/dbraw/zinc/58/17/33/1310581733.db2.gz BJGHIELIIINHCM-UHFFFAOYSA-N 0 0 349.337 3.448 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1C ZINC000898984425 1310898884 /nfs/dbraw/zinc/89/88/84/1310898884.db2.gz KYHYXXKQOFKOAC-FHLIZLRMSA-N 0 0 340.354 3.419 10 5 EGBERN Cc1c(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000929228880 1328543178 /nfs/dbraw/zinc/54/31/78/1328543178.db2.gz WFVDXEYCKHVNNN-JOYOIKCWSA-N 0 0 332.278 3.342 10 5 EGBERN COC1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000857571441 1328551122 /nfs/dbraw/zinc/55/11/22/1328551122.db2.gz HRMYUXSGNHQGTL-UHFFFAOYSA-N 0 0 332.278 3.267 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857669846 1328580345 /nfs/dbraw/zinc/58/03/45/1328580345.db2.gz SWSJFRCMWDCCQM-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cn3c(n2)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000857938960 1328633979 /nfs/dbraw/zinc/63/39/79/1328633979.db2.gz LABZGJPXNHHWOV-AAEUAGOBSA-N 0 0 342.399 3.173 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1c1cccnc1 ZINC000929566024 1328636003 /nfs/dbraw/zinc/63/60/03/1328636003.db2.gz WKHRORMKWWHXGF-INIZCTEOSA-N 0 0 343.358 3.425 10 5 EGBERN C[C@H]1CCc2nc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cn2C1 ZINC000857954972 1328640431 /nfs/dbraw/zinc/64/04/31/1328640431.db2.gz KKZVYHSEYPNJFI-LBPRGKRZSA-N 0 0 342.399 3.039 10 5 EGBERN Cc1nc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858009869 1328655164 /nfs/dbraw/zinc/65/51/64/1328655164.db2.gz VCVBLJHFXWGZHX-HNNXBMFYSA-N 0 0 340.383 3.228 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000899458572 1317044237 /nfs/dbraw/zinc/04/42/37/1317044237.db2.gz ZNOWAQXSEBGUOA-NSHDSACASA-N 0 0 331.372 3.011 10 5 EGBERN CC(C)n1cnc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC000913385058 1319020190 /nfs/dbraw/zinc/02/01/90/1319020190.db2.gz NLEYZSCYBVIUNM-UHFFFAOYSA-N 0 0 340.742 3.095 10 5 EGBERN CO[C@H]1CCC[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386418 1319020947 /nfs/dbraw/zinc/02/09/47/1319020947.db2.gz UKWBAVQRCACZFR-MNOVXSKESA-N 0 0 344.770 3.209 10 5 EGBERN C[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000913385847 1319020966 /nfs/dbraw/zinc/02/09/66/1319020966.db2.gz LZNRANYMISMARE-RNCFNFMXSA-N 0 0 344.770 3.209 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CC2(CSC2)C1 ZINC000913388077 1319022041 /nfs/dbraw/zinc/02/20/41/1319022041.db2.gz UNGMXQSHXNWYKK-UHFFFAOYSA-N 0 0 344.795 3.147 10 5 EGBERN Cc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c(C)n1C ZINC000913388065 1319022126 /nfs/dbraw/zinc/02/21/26/1319022126.db2.gz UGLMBAXPEWFYPC-UHFFFAOYSA-N 0 0 339.754 3.273 10 5 EGBERN CC[C@H]1CCC[C@@]1(C)C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000913531223 1319058918 /nfs/dbraw/zinc/05/89/18/1319058918.db2.gz GZWPHDIODDWLPT-SCLBCKFNSA-N 0 0 348.399 3.119 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1sc2ccccc2c1=O ZINC000915206766 1319443095 /nfs/dbraw/zinc/44/30/95/1319443095.db2.gz VRHXMOTYENQBRX-NSHDSACASA-N 0 0 341.392 3.380 10 5 EGBERN COC1(C(F)(F)F)CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000930314962 1328831632 /nfs/dbraw/zinc/83/16/32/1328831632.db2.gz IARPSRVOJYDUFD-UHFFFAOYSA-N 0 0 347.293 3.007 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C12CCC2 ZINC000858693335 1328833896 /nfs/dbraw/zinc/83/38/96/1328833896.db2.gz MEMCUOZECPEXGW-ZDUSSCGKSA-N 0 0 348.403 3.334 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(C[C@H]3CCC4(CCC4)CO3)n2)c1 ZINC000916865286 1319715967 /nfs/dbraw/zinc/71/59/67/1319715967.db2.gz LJXLPKUTSJKJKO-OAHLLOKOSA-N 0 0 328.372 3.203 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000858736710 1328846718 /nfs/dbraw/zinc/84/67/18/1328846718.db2.gz QLVVNJGHZYRJLD-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN CC(=O)c1ccc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000917346389 1319793694 /nfs/dbraw/zinc/79/36/94/1319793694.db2.gz AMJNVKYMRGOMGX-GXFFZTMASA-N 0 0 333.262 3.286 10 5 EGBERN COc1ccc(C(=O)OCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000918517465 1319965489 /nfs/dbraw/zinc/96/54/89/1319965489.db2.gz IUKUOTGJRLLKMP-UHFFFAOYSA-N 0 0 337.372 3.500 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000858810007 1328866818 /nfs/dbraw/zinc/86/68/18/1328866818.db2.gz VUQOXGFROHLHFT-YMTOWFKASA-N 0 0 340.763 3.014 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000858837807 1328871744 /nfs/dbraw/zinc/87/17/44/1328871744.db2.gz WKZVNHXVVBCRNF-CQSZACIVSA-N 0 0 326.352 3.497 10 5 EGBERN COc1ccc([C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)cc1F ZINC000858842772 1328873496 /nfs/dbraw/zinc/87/34/96/1328873496.db2.gz WUOUGVZUEHRJQL-GFCCVEGCSA-N 0 0 331.347 3.319 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000930768745 1328965001 /nfs/dbraw/zinc/96/50/01/1328965001.db2.gz LCUJDXDURUXUEH-SECBINFHSA-N 0 0 347.293 3.256 10 5 EGBERN COC(=O)CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859352923 1328973739 /nfs/dbraw/zinc/97/37/39/1328973739.db2.gz YEFAYKWQFZAPKZ-UHFFFAOYSA-N 0 0 344.367 3.210 10 5 EGBERN CN(Cc1c(F)cccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000859382471 1328980240 /nfs/dbraw/zinc/98/02/40/1328980240.db2.gz UQERPMCUTIUONE-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)c1ccc(F)cc1C ZINC000930875911 1328993893 /nfs/dbraw/zinc/99/38/93/1328993893.db2.gz PFCMGEUQXPGVGQ-NSHDSACASA-N 0 0 332.335 3.050 10 5 EGBERN O=C(COc1cccc(Cl)c1)OCc1csc([N+](=O)[O-])c1 ZINC000918809067 1321999298 /nfs/dbraw/zinc/99/92/98/1321999298.db2.gz LQVWLEMSXFUXCZ-UHFFFAOYSA-N 0 0 327.745 3.432 10 5 EGBERN C[C@H](OC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000920157295 1322145958 /nfs/dbraw/zinc/14/59/58/1322145958.db2.gz PGDQJIODCQUIGJ-VIFPVBQESA-N 0 0 328.280 3.360 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@H]3CC[C@H](C4CC4)O3)n2)c1 ZINC000920417999 1322174990 /nfs/dbraw/zinc/17/49/90/1322174990.db2.gz WITWCWMNHRGFBO-ZIAGYGMSSA-N 0 0 348.790 3.464 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(F)cc1F ZINC000921158467 1322264910 /nfs/dbraw/zinc/26/49/10/1322264910.db2.gz JORZGOCHFHUXEP-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN C[C@H]1C[C@H]1COC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000859588562 1329027405 /nfs/dbraw/zinc/02/74/05/1329027405.db2.gz JFXPNSHHOMUZJD-WPRPVWTQSA-N 0 0 328.162 3.099 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000922168605 1322469995 /nfs/dbraw/zinc/46/99/95/1322469995.db2.gz SUYYVAWYCCXZRX-HNNXBMFYSA-N 0 0 340.383 3.175 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000922168796 1322470750 /nfs/dbraw/zinc/47/07/50/1322470750.db2.gz XOLCEKQUNANFES-CQSZACIVSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922493710 1322541993 /nfs/dbraw/zinc/54/19/93/1322541993.db2.gz SEXFGMHFOCAIBB-CABZTGNLSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(NC1CCC2(COC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000922560055 1322556641 /nfs/dbraw/zinc/55/66/41/1322556641.db2.gz OPYJFQQEFXSRKF-UHFFFAOYSA-N 0 0 342.754 3.076 10 5 EGBERN CC(=O)NCCCCCOC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000922881576 1322639817 /nfs/dbraw/zinc/63/98/17/1322639817.db2.gz JYKODEBDQDKSOY-UHFFFAOYSA-N 0 0 344.367 3.211 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922934132 1322653530 /nfs/dbraw/zinc/65/35/30/1322653530.db2.gz NIQFZRQQPYWOEJ-OCCSQVGLSA-N 0 0 349.456 3.488 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1OC ZINC000924038806 1322881902 /nfs/dbraw/zinc/88/19/02/1322881902.db2.gz DKUYJRRNAJKGCG-RVMXOQNASA-N 0 0 348.399 3.024 10 5 EGBERN Cc1cc(-c2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092331 1322898137 /nfs/dbraw/zinc/89/81/37/1322898137.db2.gz CYEDCTHAFINQGQ-CABCVRRESA-N 0 0 329.356 3.453 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CC3CCC(F)(F)CC3)no2)n1 ZINC000924257268 1322955480 /nfs/dbraw/zinc/95/54/80/1322955480.db2.gz IMOBCEIZMFYCRO-UHFFFAOYSA-N 0 0 341.318 3.229 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H]1CCCC1(F)F ZINC000924332840 1322986538 /nfs/dbraw/zinc/98/65/38/1322986538.db2.gz SRAMGCSSGQHUGL-LLVKDONJSA-N 0 0 329.299 3.472 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000924338913 1322988228 /nfs/dbraw/zinc/98/82/28/1322988228.db2.gz MGIMYTRZHQHQTN-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccnn1CC1CCC1 ZINC000924956308 1323227488 /nfs/dbraw/zinc/22/74/88/1323227488.db2.gz YPEKLECUYDFEGB-CYBMUJFWSA-N 0 0 344.415 3.451 10 5 EGBERN O=C(OC[C@@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810802 1329083616 /nfs/dbraw/zinc/08/36/16/1329083616.db2.gz CJPJBBWCJFVYQC-DOMZBBRYSA-N 0 0 329.352 3.456 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@]2(C)Br)cc1[N+](=O)[O-] ZINC000859907086 1329109009 /nfs/dbraw/zinc/10/90/09/1329109009.db2.gz SWQMZYHPUDOBKO-DRCTWCGVSA-N 0 0 341.205 3.254 10 5 EGBERN C[C@]1(Br)C[C@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860119110 1329151441 /nfs/dbraw/zinc/15/14/41/1329151441.db2.gz KDDZOHJLBRMPBB-UFBFGSQYSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCOC12CCCCC2 ZINC000931612019 1329153207 /nfs/dbraw/zinc/15/32/07/1329153207.db2.gz WLRXBMIUFDDQHT-CQSZACIVSA-N 0 0 337.351 3.347 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259374 1329184110 /nfs/dbraw/zinc/18/41/10/1329184110.db2.gz DFVHOIKZBPSYDT-NMSKTSORSA-N 0 0 327.768 3.182 10 5 EGBERN C[S@@](=O)(=NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000926025703 1325392272 /nfs/dbraw/zinc/39/22/72/1325392272.db2.gz QLXIQPBWDSGWAH-QHCPKHFHSA-N 0 0 342.392 3.234 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCO1 ZINC000860420236 1329315140 /nfs/dbraw/zinc/31/51/40/1329315140.db2.gz KOLQFLJIGHSVQD-IRXDYDNUSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000860648403 1329339827 /nfs/dbraw/zinc/33/98/27/1329339827.db2.gz PSACWBDSMMZZJH-OHTBPHCPSA-N 0 0 339.413 3.290 10 5 EGBERN C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026787 1327825847 /nfs/dbraw/zinc/82/58/47/1327825847.db2.gz GRGVEDQMAXMISM-IVMMDQJWSA-N 0 0 346.456 3.291 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC000927196361 1327915462 /nfs/dbraw/zinc/91/54/62/1327915462.db2.gz OVGGGOICEIOCAU-SFHVURJKSA-N 0 0 347.415 3.228 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927304064 1327964931 /nfs/dbraw/zinc/96/49/31/1327964931.db2.gz NAIQAFKCDKEDMI-XFIJJGBISA-N 0 0 348.402 3.498 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCC2CCC(SC)CC2)c1 ZINC000927387267 1327998233 /nfs/dbraw/zinc/99/82/33/1327998233.db2.gz ALCKXTBTAGGUJB-UHFFFAOYSA-N 0 0 338.429 3.255 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000927702166 1328111030 /nfs/dbraw/zinc/11/10/30/1328111030.db2.gz NQYAZJWEAZRVMX-KDOFPFPSSA-N 0 0 329.400 3.459 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000928137547 1328211182 /nfs/dbraw/zinc/21/11/82/1328211182.db2.gz ZHFDZQANBYVDGV-SKDRFNHKSA-N 0 0 348.346 3.205 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000928138199 1328211943 /nfs/dbraw/zinc/21/19/43/1328211943.db2.gz ISUYTDDWZQPNOP-SECBINFHSA-N 0 0 340.348 3.085 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000928194830 1328230528 /nfs/dbraw/zinc/23/05/28/1328230528.db2.gz WPCIPHKZFMYIAK-NSHDSACASA-N 0 0 348.790 3.002 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)cc([N+](=O)[O-])c1 ZINC000928273599 1328270179 /nfs/dbraw/zinc/27/01/79/1328270179.db2.gz IGLMVWOCASHTDW-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928276589 1328271747 /nfs/dbraw/zinc/27/17/47/1328271747.db2.gz LNVJUWKHTWHTQV-JTQLQIEISA-N 0 0 337.426 3.208 10 5 EGBERN C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c21 ZINC000928588527 1328365731 /nfs/dbraw/zinc/36/57/31/1328365731.db2.gz WEDZEPVBGNOUKL-SNVBAGLBSA-N 0 0 328.372 3.365 10 5 EGBERN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000929133100 1328514394 /nfs/dbraw/zinc/51/43/94/1328514394.db2.gz KBAGSOWPUKBAHB-VXGBXAGGSA-N 0 0 332.278 3.423 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1Cl ZINC000861518420 1329423695 /nfs/dbraw/zinc/42/36/95/1329423695.db2.gz XGAYSGHYDPITFX-AAEUAGOBSA-N 0 0 331.759 3.177 10 5 EGBERN O=C(N[C@H](CO)C1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861781608 1329441398 /nfs/dbraw/zinc/44/13/98/1329441398.db2.gz QETKXUTWBVXUJJ-QGZVFWFLSA-N 0 0 328.368 3.029 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H](O)C12CCCC2 ZINC000861826126 1329444153 /nfs/dbraw/zinc/44/41/53/1329444153.db2.gz GRQDFCWWTADLKC-QGZVFWFLSA-N 0 0 340.379 3.268 10 5 EGBERN CC(=O)CCCCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000862077341 1329457720 /nfs/dbraw/zinc/45/77/20/1329457720.db2.gz HQLISKNPMZCBTF-UHFFFAOYSA-N 0 0 342.342 3.071 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CCCOC1 ZINC000862129092 1329460852 /nfs/dbraw/zinc/46/08/52/1329460852.db2.gz MJOKPTULEWCFJW-AWEZNQCLSA-N 0 0 328.368 3.389 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000862978439 1329521159 /nfs/dbraw/zinc/52/11/59/1329521159.db2.gz LJIOAMAJPKFRFO-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN Cc1cccc([C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)C)c1 ZINC000863036735 1329525618 /nfs/dbraw/zinc/52/56/18/1329525618.db2.gz CRNAECRHGZPRNN-ZWKOTPCHSA-N 0 0 342.395 3.450 10 5 EGBERN C/C=C(/C=C\C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC ZINC000863301666 1329544933 /nfs/dbraw/zinc/54/49/33/1329544933.db2.gz YEOYQNNMUPJZCP-LDRGTKNISA-N 0 0 346.383 3.012 10 5 EGBERN COc1cc(C)cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000864956875 1329655273 /nfs/dbraw/zinc/65/52/73/1329655273.db2.gz OXRTZCLNKAOSPK-UHFFFAOYSA-N 0 0 344.367 3.159 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(C[C@@H]3CC4(CO3)CCOCC4)c2)cc1 ZINC000865355158 1329688433 /nfs/dbraw/zinc/68/84/33/1329688433.db2.gz BNRJTQNPFWXFOC-KRWDZBQOSA-N 0 0 343.383 3.044 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cnc(Cl)s1 ZINC000865753621 1329734891 /nfs/dbraw/zinc/73/48/91/1329734891.db2.gz JAGWNXBLOBFIBF-UHFFFAOYSA-N 0 0 341.702 3.069 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866083157 1330063883 /nfs/dbraw/zinc/06/38/83/1330063883.db2.gz LLZPEJGLQNIFOR-MWLCHTKSSA-N 0 0 327.768 3.279 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1F ZINC000866138589 1330069570 /nfs/dbraw/zinc/06/95/70/1330069570.db2.gz JSKZXXALSJJGQS-NSHDSACASA-N 0 0 337.351 3.062 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CCC3)[C@@H]3CCOC3)c2c1 ZINC000866143736 1330070104 /nfs/dbraw/zinc/07/01/04/1330070104.db2.gz MNCJENUZXQGRCL-MLGOLLRUSA-N 0 0 328.372 3.155 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000866158940 1330071975 /nfs/dbraw/zinc/07/19/75/1330071975.db2.gz VSPPXLJPVRILSC-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000866160464 1330072342 /nfs/dbraw/zinc/07/23/42/1330072342.db2.gz ZRFSRLBFEWNAHS-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(OC)c([N+](=O)[O-])cc1Cl)C2 ZINC000866170277 1330073326 /nfs/dbraw/zinc/07/33/26/1330073326.db2.gz RTKIUTYRQUCETD-OLBFVZFUSA-N 0 0 340.763 3.010 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC000866176260 1330073936 /nfs/dbraw/zinc/07/39/36/1330073936.db2.gz SKPLAYIMEBIJLS-AWEZNQCLSA-N 0 0 348.399 3.185 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480881 1330117454 /nfs/dbraw/zinc/11/74/54/1330117454.db2.gz LWXZFIBYWORMRZ-HZPDHXFCSA-N 0 0 346.456 3.293 10 5 EGBERN O=C(C1CC2(CSC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866855051 1330152678 /nfs/dbraw/zinc/15/26/78/1330152678.db2.gz VWHIYJPRJFWFFN-UHFFFAOYSA-N 0 0 332.425 3.229 10 5 EGBERN Cc1c(CNC(=O)C2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000867732390 1330217514 /nfs/dbraw/zinc/21/75/14/1330217514.db2.gz CSDACYJTROZWNC-INIZCTEOSA-N 0 0 332.400 3.259 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867976035 1330235288 /nfs/dbraw/zinc/23/52/88/1330235288.db2.gz DDSZHFLSUVRNCA-LJQANCHMSA-N 0 0 341.411 3.044 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000868341139 1330272543 /nfs/dbraw/zinc/27/25/43/1330272543.db2.gz NNLDYOBUKDUEIW-UHOFOFEASA-N 0 0 347.415 3.079 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000868669185 1330311716 /nfs/dbraw/zinc/31/17/16/1330311716.db2.gz UBCAZENYEXTYEE-OAHLLOKOSA-N 0 0 347.415 3.052 10 5 EGBERN CC(C)[C@@H]1C[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868849105 1330359857 /nfs/dbraw/zinc/35/98/57/1330359857.db2.gz QCSWLLJNXYWQMU-CMPLNLGQSA-N 0 0 341.205 3.061 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000868988619 1330388092 /nfs/dbraw/zinc/38/80/92/1330388092.db2.gz ACYXBEZEBRESGO-IAGOWNOFSA-N 0 0 347.415 3.050 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000869053704 1330403788 /nfs/dbraw/zinc/40/37/88/1330403788.db2.gz RISLAIFZEWTHGK-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCC(F)CC1 ZINC000869286361 1330453909 /nfs/dbraw/zinc/45/39/09/1330453909.db2.gz DUMFDDYSNGXSDI-XSRFYTQQSA-N 0 0 326.343 3.309 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000869593941 1330529307 /nfs/dbraw/zinc/52/93/07/1330529307.db2.gz BZOGKARAHUTETK-LBPRGKRZSA-N 0 0 338.429 3.255 10 5 EGBERN C[C@H]1CCCC[C@@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001184775247 1387535149 /nfs/dbraw/zinc/53/51/49/1387535149.db2.gz JDQKEUQEMQUWMN-JSGCOSHPSA-N 0 0 329.400 3.462 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@H](O)c2ccccc2Cl)cc1F ZINC001185429255 1387714162 /nfs/dbraw/zinc/71/41/62/1387714162.db2.gz GVBMCEWZLUUZOT-HNNXBMFYSA-N 0 0 340.738 3.025 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC1(O)CCCCCC1 ZINC001185440159 1387717490 /nfs/dbraw/zinc/71/74/90/1387717490.db2.gz XKPPGBUDYNNMLT-UHFFFAOYSA-N 0 0 333.363 3.201 10 5 EGBERN O=[N+]([O-])c1cnn(CCNc2nc3c(cc(Cl)cc3F)s2)c1 ZINC001185726347 1387785243 /nfs/dbraw/zinc/78/52/43/1387785243.db2.gz KEMBZQXJQUXTCA-UHFFFAOYSA-N 0 0 341.755 3.306 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1ccc2nccnc2c1 ZINC001186014737 1387845504 /nfs/dbraw/zinc/84/55/04/1387845504.db2.gz RBKONTWUTNDYNZ-UHFFFAOYSA-N 0 0 339.233 3.083 10 5 EGBERN C[C@]1(C(F)(F)F)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC001197095934 1368744016 /nfs/dbraw/zinc/74/40/16/1368744016.db2.gz NUXQAGPOJBUIDP-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCc3cc(F)cc(F)c3C2)cc1 ZINC001198844750 1369128672 /nfs/dbraw/zinc/12/86/72/1369128672.db2.gz SLFBEFNBADKZOQ-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cc(C(F)(F)F)ccc1F ZINC001186720936 1388000358 /nfs/dbraw/zinc/00/03/58/1388000358.db2.gz QOQJIYDQBFPAIH-UHFFFAOYSA-N 0 0 345.208 3.039 10 5 EGBERN Cc1cc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc(C)n1 ZINC001186739705 1388002880 /nfs/dbraw/zinc/00/28/80/1388002880.db2.gz MVTJQDSOBBVOFP-UHFFFAOYSA-N 0 0 349.394 3.406 10 5 EGBERN COC(=O)c1ccc2[nH]c(CNc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC001186757582 1388005266 /nfs/dbraw/zinc/00/52/66/1388005266.db2.gz XUWYMGXWPGHVDW-UHFFFAOYSA-N 0 0 340.339 3.178 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001187305759 1388092083 /nfs/dbraw/zinc/09/20/83/1388092083.db2.gz HLPGTVOEDXOHQY-LIHPDXLKSA-N 0 0 328.290 3.449 10 5 EGBERN COc1cccc2cc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)oc21 ZINC001117290322 1371034049 /nfs/dbraw/zinc/03/40/49/1371034049.db2.gz FSANVPGMSOTGSU-UHFFFAOYSA-N 0 0 343.339 3.036 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001118720655 1371216293 /nfs/dbraw/zinc/21/62/93/1371216293.db2.gz MEDPHRDAEJDZTM-ADEWGFFLSA-N 0 0 330.718 3.412 10 5 EGBERN C[C@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H]2C[C@H]2C1 ZINC001118869172 1371243237 /nfs/dbraw/zinc/24/32/37/1371243237.db2.gz DAOHKUIVCWVFRB-UOIKSKOESA-N 0 0 329.400 3.099 10 5 EGBERN Cc1c(Br)cccc1CCNc1c([N+](=O)[O-])ncn1C ZINC001187568174 1388126709 /nfs/dbraw/zinc/12/67/09/1388126709.db2.gz HYNHHWOEILZTAU-UHFFFAOYSA-N 0 0 339.193 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@]2(CCSC2)C1 ZINC001326296439 1388145037 /nfs/dbraw/zinc/14/50/37/1388145037.db2.gz SXZBLWLVPJCTIQ-AWEZNQCLSA-N 0 0 328.821 3.269 10 5 EGBERN CO[C@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001187889902 1388184141 /nfs/dbraw/zinc/18/41/41/1388184141.db2.gz ZXOZNOCMXBCQBJ-ROUUACIJSA-N 0 0 340.379 3.439 10 5 EGBERN C[C@H]([C@@H](OC(=O)Cc1cc(C2CC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001123035524 1372366249 /nfs/dbraw/zinc/36/62/49/1372366249.db2.gz VVFVWVBAULDAMT-BMLIUANNSA-N 0 0 348.330 3.183 10 5 EGBERN COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC001124170366 1372680921 /nfs/dbraw/zinc/68/09/21/1372680921.db2.gz ICPPXZLAPKJMPQ-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(Br)s1 ZINC001124340586 1372693122 /nfs/dbraw/zinc/69/31/22/1372693122.db2.gz FIHXXJKTIXLWOI-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN COCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC001124402812 1372699009 /nfs/dbraw/zinc/69/90/09/1372699009.db2.gz AYMFHVYVFOSHLE-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001124681593 1372721780 /nfs/dbraw/zinc/72/17/80/1372721780.db2.gz QLYRNTSZVXIHNP-CQSZACIVSA-N 0 0 340.257 3.338 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccn2nccc12 ZINC001124780467 1372729688 /nfs/dbraw/zinc/72/96/88/1372729688.db2.gz ZVZKFWPMUHIALL-UHFFFAOYSA-N 0 0 344.758 3.168 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(F)ccc1-n1cccn1 ZINC001125082240 1372751869 /nfs/dbraw/zinc/75/18/69/1372751869.db2.gz JHOMOWFKYBGHKW-UHFFFAOYSA-N 0 0 341.298 3.447 10 5 EGBERN Cc1ccc(-c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)nn1 ZINC001125155759 1372757016 /nfs/dbraw/zinc/75/70/16/1372757016.db2.gz OIEGQKSVSUAFHY-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1c(OC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001125298731 1372768104 /nfs/dbraw/zinc/76/81/04/1372768104.db2.gz WLDAATGICWXZIH-QGHHPUGFSA-N 0 0 335.356 3.177 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nccc2ccsc21 ZINC001125310835 1372769300 /nfs/dbraw/zinc/76/93/00/1372769300.db2.gz AIZKQKAGBVGKFP-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN COc1ccc(C2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)nc1 ZINC001326506267 1388223495 /nfs/dbraw/zinc/22/34/95/1388223495.db2.gz RHGOSPJLLSCCLM-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN CCOc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001125538377 1372803577 /nfs/dbraw/zinc/80/35/77/1372803577.db2.gz CEVOPNNIIBWWPO-LBPRGKRZSA-N 0 0 329.356 3.188 10 5 EGBERN Cn1cc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)o2)cn1 ZINC001125797037 1372858607 /nfs/dbraw/zinc/85/86/07/1372858607.db2.gz ZDPAXOCEHWVDCL-UHFFFAOYSA-N 0 0 346.730 3.494 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC001126017162 1372911033 /nfs/dbraw/zinc/91/10/33/1372911033.db2.gz MOOMHTSESWPRNS-UHFFFAOYSA-N 0 0 346.240 3.053 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(F)c2ncccc2c1 ZINC001126172993 1372945964 /nfs/dbraw/zinc/94/59/64/1372945964.db2.gz QBZYMAHHKBDJLJ-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001126199640 1372948020 /nfs/dbraw/zinc/94/80/20/1372948020.db2.gz MQDMXIROTAYKEW-QWHCGFSZSA-N 0 0 348.399 3.407 10 5 EGBERN CC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001126489201 1372968928 /nfs/dbraw/zinc/96/89/28/1372968928.db2.gz SMSKQQIPWIFJIB-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1ccc2nc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC001126843191 1373040151 /nfs/dbraw/zinc/04/01/51/1373040151.db2.gz NRHRSYWGRDQCGG-UHFFFAOYSA-N 0 0 338.367 3.216 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)n1 ZINC001126871241 1373044167 /nfs/dbraw/zinc/04/41/67/1373044167.db2.gz ASRNPDXHISKFGQ-GFCCVEGCSA-N 0 0 331.294 3.149 10 5 EGBERN Cc1ncccc1/C=C/C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001126953544 1373056904 /nfs/dbraw/zinc/05/69/04/1373056904.db2.gz ZARWICCFXHMQKT-WEVVVXLNSA-N 0 0 334.335 3.498 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnc(CC(C)C)s1 ZINC001127396053 1373123400 /nfs/dbraw/zinc/12/34/00/1373123400.db2.gz GUONJYQAQYJDBK-UHFFFAOYSA-N 0 0 349.412 3.188 10 5 EGBERN Cc1nocc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001127476383 1373130414 /nfs/dbraw/zinc/13/04/14/1373130414.db2.gz GZYHTKGTXRLKPO-INIZCTEOSA-N 0 0 339.307 3.233 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC001127639822 1373151662 /nfs/dbraw/zinc/15/16/62/1373151662.db2.gz HAWIENAJVBSMJK-GFCCVEGCSA-N 0 0 325.368 3.278 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1C ZINC001127680531 1373159462 /nfs/dbraw/zinc/15/94/62/1373159462.db2.gz NFSNQOIAQPKZJI-SUNKGSAMSA-N 0 0 335.356 3.348 10 5 EGBERN O=C(Oc1ccc2nccnc2c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001127694848 1373162773 /nfs/dbraw/zinc/16/27/73/1373162773.db2.gz KIONHQHUPGLTEU-LSDHHAIUSA-N 0 0 335.319 3.247 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])O[C@H]1CCOc2c(F)cccc21 ZINC001127707881 1373164994 /nfs/dbraw/zinc/16/49/94/1373164994.db2.gz CFFGWBVLNUZKNF-HNNXBMFYSA-N 0 0 349.289 3.483 10 5 EGBERN CC[C@H](OC(=O)c1ccc(N(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC001127710100 1373165598 /nfs/dbraw/zinc/16/55/98/1373165598.db2.gz FEGMTMXHJBFJBD-HNNXBMFYSA-N 0 0 329.356 3.364 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC001127786700 1373179865 /nfs/dbraw/zinc/17/98/65/1373179865.db2.gz MDPCITFBQRSAFM-GJZGRUSLSA-N 0 0 338.379 3.364 10 5 EGBERN COc1ccc(OC(=O)[C@@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC001127987809 1373206687 /nfs/dbraw/zinc/20/66/87/1373206687.db2.gz WCSGNWYCAHIIEV-SFHVURJKSA-N 0 0 343.335 3.249 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC001128004561 1373207692 /nfs/dbraw/zinc/20/76/92/1373207692.db2.gz KVLCBKGOLHQFNU-UHFFFAOYSA-N 0 0 343.339 3.358 10 5 EGBERN CC(C)C(=O)c1cnccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001128291797 1373247204 /nfs/dbraw/zinc/24/72/04/1373247204.db2.gz WNOFYGWAOODYPZ-UHFFFAOYSA-N 0 0 347.758 3.156 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cc1c[nH]c2cnccc12 ZINC001128305345 1373250276 /nfs/dbraw/zinc/25/02/76/1373250276.db2.gz MLWOMWWKGXEVHI-UHFFFAOYSA-N 0 0 328.303 3.100 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2cccc3nonc32)ccc1[N+](=O)[O-] ZINC001128790361 1373311531 /nfs/dbraw/zinc/31/15/31/1373311531.db2.gz OQIOKRGIJFIEJV-UHFFFAOYSA-N 0 0 342.311 3.171 10 5 EGBERN CN=[S@](C)(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC001128996231 1373333067 /nfs/dbraw/zinc/33/30/67/1373333067.db2.gz LZFVPAWDTURODT-XMMPIXPASA-N 0 0 347.396 3.242 10 5 EGBERN COc1ccc(F)cc1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129106881 1373346884 /nfs/dbraw/zinc/34/68/84/1373346884.db2.gz CLOYRUZRNJRILY-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN O=C(c1ccc2ccccc2n1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129106806 1373346970 /nfs/dbraw/zinc/34/69/70/1373346970.db2.gz BELYZYHZCKNJBC-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)nn1-c1ccccc1 ZINC001129225035 1373362597 /nfs/dbraw/zinc/36/25/97/1373362597.db2.gz MXSFIHQBWVRALX-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001129235437 1373363898 /nfs/dbraw/zinc/36/38/98/1373363898.db2.gz JKMXIESUADQKPN-UHFFFAOYSA-N 0 0 349.324 3.328 10 5 EGBERN Cc1ccc(COC(=O)C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001129248031 1373365233 /nfs/dbraw/zinc/36/52/33/1373365233.db2.gz YBIAQBNSGQJEKG-UHFFFAOYSA-N 0 0 333.727 3.483 10 5 EGBERN COc1cc(C(=O)Nc2cncc(Cl)c2C)c([N+](=O)[O-])cc1F ZINC001129452341 1373385598 /nfs/dbraw/zinc/38/55/98/1373385598.db2.gz MJBAMPOJKPVWAK-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H]1CCOC(C)(C)C1 ZINC001129502068 1373391367 /nfs/dbraw/zinc/39/13/67/1373391367.db2.gz VYLJRNFAUZODTC-LBPRGKRZSA-N 0 0 338.379 3.462 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001129781219 1373422842 /nfs/dbraw/zinc/42/28/42/1373422842.db2.gz NJTSFOFODCIVJU-UHFFFAOYSA-N 0 0 346.289 3.232 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001129817996 1373425956 /nfs/dbraw/zinc/42/59/56/1373425956.db2.gz VMBBQEJBJQJOLK-SECBINFHSA-N 0 0 334.353 3.185 10 5 EGBERN CO[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC001129828313 1373426279 /nfs/dbraw/zinc/42/62/79/1373426279.db2.gz OBSZOQMYXJWTIO-GFCCVEGCSA-N 0 0 342.823 3.358 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCC[C@H](F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130126025 1373459227 /nfs/dbraw/zinc/45/92/27/1373459227.db2.gz IUTALINAWHIQOY-NWDGAFQWSA-N 0 0 331.347 3.341 10 5 EGBERN Cc1cc(C(=O)NC[C@H]2CSc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001130167953 1373468611 /nfs/dbraw/zinc/46/86/11/1373468611.db2.gz LAQXIBIPAMUBGG-ZDUSSCGKSA-N 0 0 344.392 3.186 10 5 EGBERN CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1F ZINC001130308111 1373488465 /nfs/dbraw/zinc/48/84/65/1373488465.db2.gz RFYUZFLXXIIQHM-CYBMUJFWSA-N 0 0 346.314 3.344 10 5 EGBERN COCc1ccnc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001130390338 1373516073 /nfs/dbraw/zinc/51/60/73/1373516073.db2.gz RCVXKKZSMIXEMF-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOc2cc(F)c(F)cc21 ZINC001130408323 1373523567 /nfs/dbraw/zinc/52/35/67/1373523567.db2.gz ZFJRRYWVYANLHR-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001130447153 1373544060 /nfs/dbraw/zinc/54/40/60/1373544060.db2.gz MAPMRKQTUUZWJA-GFCCVEGCSA-N 0 0 340.445 3.498 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC001130758784 1373588212 /nfs/dbraw/zinc/58/82/12/1373588212.db2.gz NSHXYKLKTGKBDM-UHFFFAOYSA-N 0 0 338.279 3.304 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnc2cnccc2c1 ZINC001130758544 1373588317 /nfs/dbraw/zinc/58/83/17/1373588317.db2.gz DAUUOQDZTLDTEE-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1=O ZINC001130761684 1373588915 /nfs/dbraw/zinc/58/89/15/1373588915.db2.gz XOPFHQZKOSATOM-GHMZBOCLSA-N 0 0 327.340 3.087 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001130761293 1373589036 /nfs/dbraw/zinc/58/90/36/1373589036.db2.gz NVYFHZUDEIULBY-UHFFFAOYSA-N 0 0 338.279 3.304 10 5 EGBERN Cn1nc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC001130956596 1373615888 /nfs/dbraw/zinc/61/58/88/1373615888.db2.gz DECRCKQWPGKABP-UHFFFAOYSA-N 0 0 347.334 3.282 10 5 EGBERN O=C(CSCC(F)(F)F)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959755 1373616584 /nfs/dbraw/zinc/61/65/84/1373616584.db2.gz LXFQWZRKHDHPAQ-UHFFFAOYSA-N 0 0 345.302 3.377 10 5 EGBERN Cc1cccn2c(NC(=O)CSc3ccccc3[N+](=O)[O-])cnc12 ZINC001130984521 1373620122 /nfs/dbraw/zinc/62/01/22/1373620122.db2.gz OWEHJVFZWJKVRG-UHFFFAOYSA-N 0 0 342.380 3.282 10 5 EGBERN O=C(/C=C\c1nccs1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251084 1373669532 /nfs/dbraw/zinc/66/95/32/1373669532.db2.gz TWDXFMQRHCVOOI-ARJAWSKDSA-N 0 0 326.337 3.251 10 5 EGBERN CO[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CCCC1 ZINC001131637192 1373739433 /nfs/dbraw/zinc/73/94/33/1373739433.db2.gz CUYUKMYYQCAADX-QGZVFWFLSA-N 0 0 346.427 3.338 10 5 EGBERN CC(C)c1noc(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001326733248 1388292899 /nfs/dbraw/zinc/29/28/99/1388292899.db2.gz LQFYSYQMSBBSTR-UHFFFAOYSA-N 0 0 331.376 3.030 10 5 EGBERN C[C@@H](c1ccccc1)n1cnnc1SCc1cccnc1[N+](=O)[O-] ZINC001188650339 1388353086 /nfs/dbraw/zinc/35/30/86/1388353086.db2.gz MVKRIMXLRDRZNU-LBPRGKRZSA-N 0 0 341.396 3.483 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2nnc(Cc3ccsc3)o2)cc1F ZINC001326929848 1388354375 /nfs/dbraw/zinc/35/43/75/1388354375.db2.gz ZGMACSOINHAEIV-UHFFFAOYSA-N 0 0 335.316 3.348 10 5 EGBERN CC1(C)Cc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001132023995 1375103004 /nfs/dbraw/zinc/10/30/04/1375103004.db2.gz OUJIEOAUAFLWDM-UHFFFAOYSA-N 0 0 326.352 3.342 10 5 EGBERN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1sccc1Cl ZINC001188701295 1388363831 /nfs/dbraw/zinc/36/38/31/1388363831.db2.gz RLMHRUMNWRTQOV-UHFFFAOYSA-N 0 0 348.771 3.451 10 5 EGBERN O=C(Nc1c(Cl)ccc2cnccc21)c1ccc([N+](=O)[O-])cn1 ZINC001132299485 1375279023 /nfs/dbraw/zinc/27/90/23/1375279023.db2.gz PJCAQBRHANEZLJ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(C)(C)C)o1 ZINC001132555789 1375462750 /nfs/dbraw/zinc/46/27/50/1375462750.db2.gz OGQFGJICVMQMHC-UHFFFAOYSA-N 0 0 332.356 3.424 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2cc3cnccc3o2)ccc1[N+](=O)[O-] ZINC001132721962 1375529217 /nfs/dbraw/zinc/52/92/17/1375529217.db2.gz PRYIWCOJTLLKOA-JTQLQIEISA-N 0 0 341.323 3.236 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)Cc3cccc(F)c32)n1 ZINC001132753190 1375548385 /nfs/dbraw/zinc/54/83/85/1375548385.db2.gz HMAKNLIXTQQXML-JTQLQIEISA-N 0 0 329.331 3.276 10 5 EGBERN C[Si](C)(C)c1ccc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC001188823311 1388384994 /nfs/dbraw/zinc/38/49/94/1388384994.db2.gz OOSSSUMYZPEGGB-UHFFFAOYSA-N 0 0 336.851 3.003 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC001132833168 1375589712 /nfs/dbraw/zinc/58/97/12/1375589712.db2.gz LYTDHPVKIFVCDE-UHFFFAOYSA-N 0 0 335.310 3.500 10 5 EGBERN CCN(C#N)CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC001188869293 1388395637 /nfs/dbraw/zinc/39/56/37/1388395637.db2.gz DRPKIQWKJSJFRR-UHFFFAOYSA-N 0 0 330.207 3.252 10 5 EGBERN CCOC(=O)c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001133109512 1375780912 /nfs/dbraw/zinc/78/09/12/1375780912.db2.gz SYDDXILNOQIQLF-UHFFFAOYSA-N 0 0 346.314 3.471 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(Cl)s2)c1 ZINC001133375469 1375955056 /nfs/dbraw/zinc/95/50/56/1375955056.db2.gz SWYWIDMUHYPOCT-UHFFFAOYSA-N 0 0 343.817 3.357 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC001133420583 1375998053 /nfs/dbraw/zinc/99/80/53/1375998053.db2.gz GXZZYBWHILPGAB-SNVBAGLBSA-N 0 0 329.356 3.233 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cnccc1C(F)(F)F ZINC001133482271 1376035168 /nfs/dbraw/zinc/03/51/68/1376035168.db2.gz FGPZPCZTHMTSBG-UHFFFAOYSA-N 0 0 343.236 3.329 10 5 EGBERN C[C@@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001133654588 1376140601 /nfs/dbraw/zinc/14/06/01/1376140601.db2.gz NJQFCQURLIGUAW-PXAZEXFGSA-N 0 0 339.351 3.290 10 5 EGBERN C[C@@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001133654589 1376140645 /nfs/dbraw/zinc/14/06/45/1376140645.db2.gz NJQFCQURLIGUAW-SJKOYZFVSA-N 0 0 339.351 3.290 10 5 EGBERN CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001133851670 1376233275 /nfs/dbraw/zinc/23/32/75/1376233275.db2.gz KOLOTPBNNKYJFS-OAHLLOKOSA-N 0 0 338.367 3.363 10 5 EGBERN Cc1cc(C(=O)NCC[C@H]2OCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001134316471 1376471667 /nfs/dbraw/zinc/47/16/67/1376471667.db2.gz RLXNHXZBFLJNBR-GOSISDBHSA-N 0 0 340.379 3.337 10 5 EGBERN COc1cccc(F)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001134495635 1376568787 /nfs/dbraw/zinc/56/87/87/1376568787.db2.gz MYLOSFLJGRBXBR-NSHDSACASA-N 0 0 332.331 3.276 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cn1 ZINC001134590857 1376613752 /nfs/dbraw/zinc/61/37/52/1376613752.db2.gz SAKLIXWIXZUKSH-UHFFFAOYSA-N 0 0 343.339 3.268 10 5 EGBERN CC(C)Oc1cnccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001134714940 1376675078 /nfs/dbraw/zinc/67/50/78/1376675078.db2.gz UOKQLAAQYPMDDX-UHFFFAOYSA-N 0 0 335.747 3.105 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001134785693 1376719370 /nfs/dbraw/zinc/71/93/70/1376719370.db2.gz YSKLMZDWQBCTRI-PTOFAABTSA-N 0 0 339.189 3.276 10 5 EGBERN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001134926339 1376793478 /nfs/dbraw/zinc/79/34/78/1376793478.db2.gz CEWMQICHYNTVHR-NFFDBFGFSA-N 0 0 348.399 3.033 10 5 EGBERN CN(CC(=O)NC[C@@H]1CCC=CCCC1)c1ccccc1[N+](=O)[O-] ZINC001134952864 1376807737 /nfs/dbraw/zinc/80/77/37/1376807737.db2.gz CJPOYAIOZMKOLH-OAHLLOKOSA-N 0 0 331.416 3.284 10 5 EGBERN Nc1c(C(=O)Nc2cnc(F)c(F)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001135104254 1376901127 /nfs/dbraw/zinc/90/11/27/1376901127.db2.gz GMHSPLMCMQKIGY-UHFFFAOYSA-N 0 0 344.277 3.256 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001135118501 1376911614 /nfs/dbraw/zinc/91/16/14/1376911614.db2.gz JJNCISOYIUHWLO-XWTMOSNGSA-N 0 0 344.411 3.258 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2cnc3cc(C)c(C)cc32)c1 ZINC001189166845 1388472108 /nfs/dbraw/zinc/47/21/08/1388472108.db2.gz XPIUAMKIHRSALZ-UHFFFAOYSA-N 0 0 339.351 3.396 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001135200426 1376971379 /nfs/dbraw/zinc/97/13/79/1376971379.db2.gz HIAINLZPPXUOMS-FMKPAKJESA-N 0 0 334.416 3.189 10 5 EGBERN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001135421510 1377086328 /nfs/dbraw/zinc/08/63/28/1377086328.db2.gz KKHAVUTZMFOLBA-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC001135504312 1377121552 /nfs/dbraw/zinc/12/15/52/1377121552.db2.gz JRMRVFRDLNPDJG-UHFFFAOYSA-N 0 0 343.295 3.105 10 5 EGBERN Cc1cc(C)c(OC(=O)c2ccc(-c3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC001264250123 1377141950 /nfs/dbraw/zinc/14/19/50/1377141950.db2.gz IZWVYOLHQZDFEC-UHFFFAOYSA-N 0 0 341.323 3.424 10 5 EGBERN Nc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC001135921153 1377264151 /nfs/dbraw/zinc/26/41/51/1377264151.db2.gz HCFJBIJJUNDSIU-UHFFFAOYSA-N 0 0 348.362 3.091 10 5 EGBERN Cc1cc(NC(=O)c2cn(C)nc2-c2ccco2)ccc1[N+](=O)[O-] ZINC001266633224 1377353577 /nfs/dbraw/zinc/35/35/77/1377353577.db2.gz FNTKIIAVVWLWCJ-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN C[C@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001136308739 1377375880 /nfs/dbraw/zinc/37/58/80/1377375880.db2.gz WDZMNRAMRJCAHL-GUYCJALGSA-N 0 0 334.416 3.493 10 5 EGBERN CCCCn1nccc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136475406 1377397410 /nfs/dbraw/zinc/39/74/10/1377397410.db2.gz DFSSGRMAJWVGOP-UHFFFAOYSA-N 0 0 337.767 3.079 10 5 EGBERN Cc1c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n[nH]c1C1CC1 ZINC001136611169 1377408249 /nfs/dbraw/zinc/40/82/49/1377408249.db2.gz BXICBIFYLYOGNW-UHFFFAOYSA-N 0 0 344.371 3.220 10 5 EGBERN CN(CC(F)(F)C(F)(F)F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001136721797 1377417550 /nfs/dbraw/zinc/41/75/50/1377417550.db2.gz JMOGFWPSHXGYGI-UHFFFAOYSA-N 0 0 330.184 3.004 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137038319 1377462889 /nfs/dbraw/zinc/46/28/89/1377462889.db2.gz BHSPYSJPCHECDM-CQSZACIVSA-N 0 0 327.384 3.270 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001137252215 1377504190 /nfs/dbraw/zinc/50/41/90/1377504190.db2.gz JUPKXTFWKYWEHB-INIZCTEOSA-N 0 0 326.352 3.061 10 5 EGBERN O=C(NCC1(Cc2ccccc2)CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137373176 1377534051 /nfs/dbraw/zinc/53/40/51/1377534051.db2.gz RMMBIZSGPOTDBP-UHFFFAOYSA-N 0 0 348.790 3.114 10 5 EGBERN CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)c(Cl)c1 ZINC001137895532 1377640899 /nfs/dbraw/zinc/64/08/99/1377640899.db2.gz DAVOCVKNWMBUHH-UHFFFAOYSA-N 0 0 333.106 3.040 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc2c(c1)CCC2 ZINC001137977742 1377657298 /nfs/dbraw/zinc/65/72/98/1377657298.db2.gz IJUHPJGKLYEXDC-LLVKDONJSA-N 0 0 325.368 3.157 10 5 EGBERN Nc1ncc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001140102256 1378007574 /nfs/dbraw/zinc/00/75/74/1378007574.db2.gz GLARJUZZIMBJJQ-HIFRSBDPSA-N 0 0 340.383 3.028 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001141848416 1378384736 /nfs/dbraw/zinc/38/47/36/1378384736.db2.gz WFRYHSUUKGRSPH-SECBINFHSA-N 0 0 343.387 3.000 10 5 EGBERN O=C(Nc1ncccc1OCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001141995190 1378402506 /nfs/dbraw/zinc/40/25/06/1378402506.db2.gz KPZXJGCCHCFLKU-UHFFFAOYSA-N 0 0 338.323 3.149 10 5 EGBERN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC001142028491 1378406601 /nfs/dbraw/zinc/40/66/01/1378406601.db2.gz IIXPESGSBXDNQF-UHFFFAOYSA-N 0 0 349.337 3.129 10 5 EGBERN CC(C)[C@H](C)N(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001142135925 1378415708 /nfs/dbraw/zinc/41/57/08/1378415708.db2.gz XARULCSRNCLYCY-VIFPVBQESA-N 0 0 325.796 3.480 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC[C@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC001142286292 1378429096 /nfs/dbraw/zinc/42/90/96/1378429096.db2.gz SOYAVDHKKBRJBC-ZDUSSCGKSA-N 0 0 346.774 3.203 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1COCc2ccccc21 ZINC001142501735 1378449354 /nfs/dbraw/zinc/44/93/54/1378449354.db2.gz JHZCGHNMLMHKOU-HNNXBMFYSA-N 0 0 346.770 3.178 10 5 EGBERN Cc1cc(C)cc(-c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)n[nH]2)c1 ZINC001143278918 1378573949 /nfs/dbraw/zinc/57/39/49/1378573949.db2.gz GIEGANNOWVFNTA-UHFFFAOYSA-N 0 0 325.328 3.182 10 5 EGBERN CC(C)n1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc21 ZINC001143397359 1378592030 /nfs/dbraw/zinc/59/20/30/1378592030.db2.gz NULBPSVQMFEHST-UHFFFAOYSA-N 0 0 339.355 3.360 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001143975999 1378665808 /nfs/dbraw/zinc/66/58/08/1378665808.db2.gz RULRZWSBJOMUNA-XNRPHZJLSA-N 0 0 332.400 3.190 10 5 EGBERN O=C(NC[C@H](O)c1cccc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001146899046 1378942480 /nfs/dbraw/zinc/94/24/80/1378942480.db2.gz HUNVOEJWRVKKDH-HNNXBMFYSA-N 0 0 342.376 3.273 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001147596975 1379047728 /nfs/dbraw/zinc/04/77/28/1379047728.db2.gz VLEWBSIDRRXIBN-UHFFFAOYSA-N 0 0 349.431 3.203 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327759838 1388593799 /nfs/dbraw/zinc/59/37/99/1388593799.db2.gz OCQJBXKCEMQJCE-JGPRNRPPSA-N 0 0 325.315 3.377 10 5 EGBERN Cc1ccccc1C(F)(F)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001148894495 1379292553 /nfs/dbraw/zinc/29/25/53/1379292553.db2.gz GPDXVIWEAXPILT-UHFFFAOYSA-N 0 0 349.337 3.223 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cc2cnccc2o1 ZINC001152685631 1379970073 /nfs/dbraw/zinc/97/00/73/1379970073.db2.gz IKMBDKPBDKPKPJ-UHFFFAOYSA-N 0 0 345.742 3.248 10 5 EGBERN Cc1ccc(C=CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cn1 ZINC001153757962 1380123304 /nfs/dbraw/zinc/12/33/04/1380123304.db2.gz QJEZSZDMIXWNQR-FPLPWBNLSA-N 0 0 349.350 3.340 10 5 EGBERN COc1ccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC001154445844 1380279034 /nfs/dbraw/zinc/27/90/34/1380279034.db2.gz SYEJXKXTTLJEMP-UHFFFAOYSA-N 0 0 336.731 3.144 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001328071341 1388661699 /nfs/dbraw/zinc/66/16/99/1388661699.db2.gz IQNXNRMLLLJEMJ-UPJWGTAASA-N 0 0 339.342 3.136 10 5 EGBERN Cc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]n1 ZINC001157193648 1380804772 /nfs/dbraw/zinc/80/47/72/1380804772.db2.gz PUOYLOUKFHCCRZ-INIZCTEOSA-N 0 0 328.372 3.302 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Oc1cc(F)cc(Cl)c1 ZINC001287240791 1381152653 /nfs/dbraw/zinc/15/26/53/1381152653.db2.gz BPKZRACLHZNCBX-UHFFFAOYSA-N 0 0 325.679 3.372 10 5 EGBERN Cc1ccc(NC(=O)c2csc(CC(C)C)n2)c(N)c1[N+](=O)[O-] ZINC001158223097 1381164143 /nfs/dbraw/zinc/16/41/43/1381164143.db2.gz DDUWMLQCUVQTCB-UHFFFAOYSA-N 0 0 334.401 3.393 10 5 EGBERN CCc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001159060389 1381550148 /nfs/dbraw/zinc/55/01/48/1381550148.db2.gz KOQDWFSGUMORCD-UHFFFAOYSA-N 0 0 329.331 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001328391177 1388735796 /nfs/dbraw/zinc/73/57/96/1388735796.db2.gz MTNWYQMZRNQCSE-LETLQTKMSA-N 0 0 330.718 3.330 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001288215614 1381731030 /nfs/dbraw/zinc/73/10/30/1381731030.db2.gz BCZQGRSCBWTXJS-UONOGXRCSA-N 0 0 345.330 3.270 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H]2C(F)(F)F)c(Br)c1 ZINC001328409862 1388739357 /nfs/dbraw/zinc/73/93/57/1388739357.db2.gz IRWKKDCFPIDXDV-SNVBAGLBSA-N 0 0 339.111 3.494 10 5 EGBERN CCc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC001288356771 1381794178 /nfs/dbraw/zinc/79/41/78/1381794178.db2.gz CXIZCQGPAVDSAM-UHFFFAOYSA-N 0 0 333.775 3.444 10 5 EGBERN C[C@@H](NC(=O)c1cn(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001288749919 1381925008 /nfs/dbraw/zinc/92/50/08/1381925008.db2.gz PKVFVQMKQHAHNV-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2F ZINC001288941768 1381967020 /nfs/dbraw/zinc/96/70/20/1381967020.db2.gz POHBQKBWRHAIGF-OAHLLOKOSA-N 0 0 332.306 3.219 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)CCCC3=O)c1F ZINC001289905067 1382019660 /nfs/dbraw/zinc/01/96/60/1382019660.db2.gz KMTWHSGKTGDWHJ-UHFFFAOYSA-N 0 0 349.343 3.270 10 5 EGBERN COc1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1 ZINC001290071488 1382056938 /nfs/dbraw/zinc/05/69/38/1382056938.db2.gz NEMVEWGFJXGFLV-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(F)cc1N ZINC001160555325 1382140225 /nfs/dbraw/zinc/14/02/25/1382140225.db2.gz DRAIECUIGIOUOW-UHFFFAOYSA-N 0 0 333.319 3.276 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001292330584 1382181591 /nfs/dbraw/zinc/18/15/91/1382181591.db2.gz OEUUXMYNQCKLHB-UHFFFAOYSA-N 0 0 342.714 3.150 10 5 EGBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)c(F)c1 ZINC001295154297 1382558309 /nfs/dbraw/zinc/55/83/09/1382558309.db2.gz QPLQYAFKUZOWKT-RXMQYKEDSA-N 0 0 347.133 3.255 10 5 EGBERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001295615415 1382743085 /nfs/dbraw/zinc/74/30/85/1382743085.db2.gz YVJQXPATYKABHE-QGZVFWFLSA-N 0 0 337.335 3.262 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)n1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001162567388 1382792716 /nfs/dbraw/zinc/79/27/16/1382792716.db2.gz DLGRIRBHBBRDKO-UHFFFAOYSA-N 0 0 345.309 3.090 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1noc(-c2ccccc2)n1 ZINC001162813116 1382882247 /nfs/dbraw/zinc/88/22/47/1382882247.db2.gz VCHCJUBWYYRSMJ-SECBINFHSA-N 0 0 329.291 3.352 10 5 EGBERN C[C@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])C1CCCCC1 ZINC001163042401 1382953913 /nfs/dbraw/zinc/95/39/13/1382953913.db2.gz QBMIYZPFELSQCS-SFHVURJKSA-N 0 0 329.400 3.308 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001296349671 1382972607 /nfs/dbraw/zinc/97/26/07/1382972607.db2.gz IUVFTIUQSCBESA-CABCVRRESA-N 0 0 342.351 3.441 10 5 EGBERN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2O1 ZINC001296509513 1383003996 /nfs/dbraw/zinc/00/39/96/1383003996.db2.gz JTHMFDHQTWPRIY-KRWDZBQOSA-N 0 0 343.339 3.327 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(C)CC2(Cl)Cl)c1 ZINC001163327638 1383022873 /nfs/dbraw/zinc/02/28/73/1383022873.db2.gz YTOVVDYMDFPBTJ-GFCCVEGCSA-N 0 0 333.171 3.377 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc2ccncc2s1 ZINC001163355573 1383029500 /nfs/dbraw/zinc/02/95/00/1383029500.db2.gz WBRNITQLBDMRBL-UHFFFAOYSA-N 0 0 349.318 3.413 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Oc2cc(C(=O)OC(C)(C)C)ccc2F)n1 ZINC001163604672 1383087132 /nfs/dbraw/zinc/08/71/32/1383087132.db2.gz DMYIGUCZDUTWGM-UHFFFAOYSA-N 0 0 337.307 3.215 10 5 EGBERN Cc1cnc(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c(C)c1 ZINC001163618177 1383090510 /nfs/dbraw/zinc/09/05/10/1383090510.db2.gz NCKBOKLZNGUOIY-UHFFFAOYSA-N 0 0 340.358 3.370 10 5 EGBERN O=C(Nc1c(-c2cccnc2)nc2ccccn21)c1ccc([N+](=O)[O-])o1 ZINC001163774548 1383120834 /nfs/dbraw/zinc/12/08/34/1383120834.db2.gz CBOCEUJVCFPFSK-UHFFFAOYSA-N 0 0 349.306 3.150 10 5 EGBERN CN(c1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001163823611 1383125675 /nfs/dbraw/zinc/12/56/75/1383125675.db2.gz NTSOVARJAPRVHL-HNNXBMFYSA-N 0 0 342.355 3.218 10 5 EGBERN O=C1NCCN1c1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001163995935 1383144148 /nfs/dbraw/zinc/14/41/48/1383144148.db2.gz CSTQACPYWLAHJJ-UHFFFAOYSA-N 0 0 346.774 3.390 10 5 EGBERN C[C@@H]1C[C@@]2(CC[C@@H](CNc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC001164165386 1383161895 /nfs/dbraw/zinc/16/18/95/1383161895.db2.gz ZRGXOTMXKMKLRD-GMXABZIVSA-N 0 0 326.780 3.387 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2ncc3ccccn32)c1 ZINC001164552437 1383198792 /nfs/dbraw/zinc/19/87/92/1383198792.db2.gz WSJJPRVRVDTTCN-UHFFFAOYSA-N 0 0 343.364 3.321 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(C(C)=O)cc2)c1 ZINC001165519119 1383306478 /nfs/dbraw/zinc/30/64/78/1383306478.db2.gz BULZRMCJEZJSLI-UHFFFAOYSA-N 0 0 329.308 3.163 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC001165783926 1383344174 /nfs/dbraw/zinc/34/41/74/1383344174.db2.gz AUXNTAQCMQFEOT-OAHLLOKOSA-N 0 0 332.306 3.389 10 5 EGBERN Cc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1F ZINC001165841737 1383351703 /nfs/dbraw/zinc/35/17/03/1383351703.db2.gz QQKDIZDOSKZDAT-UHFFFAOYSA-N 0 0 341.136 3.015 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=O ZINC001165856456 1383352904 /nfs/dbraw/zinc/35/29/04/1383352904.db2.gz MLAOHAGAXWFXKA-CYBMUJFWSA-N 0 0 343.166 3.105 10 5 EGBERN O=C(NCc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC001298120870 1383366915 /nfs/dbraw/zinc/36/69/15/1383366915.db2.gz BZDIXAMAUHONPT-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN COc1ccc2c(c1)on(Cc1cc([N+](=O)[O-])ccc1Cl)c2=O ZINC001166150865 1383395015 /nfs/dbraw/zinc/39/50/15/1383395015.db2.gz YVAAPBYZGKHSBK-UHFFFAOYSA-N 0 0 334.715 3.213 10 5 EGBERN CC(C)(C)OC(=O)NCCCCCCCn1ccnc1[N+](=O)[O-] ZINC001166682468 1383459389 /nfs/dbraw/zinc/45/93/89/1383459389.db2.gz MPEPDULXJSMCOZ-UHFFFAOYSA-N 0 0 326.397 3.267 10 5 EGBERN Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC001166886508 1383494163 /nfs/dbraw/zinc/49/41/63/1383494163.db2.gz VQCMRFSDVYOGKF-AWEZNQCLSA-N 0 0 349.337 3.173 10 5 EGBERN Nc1ccc(C(=O)NC2(c3cccc(F)c3)CCC2)cc1[N+](=O)[O-] ZINC001299805960 1383628893 /nfs/dbraw/zinc/62/88/93/1383628893.db2.gz DSWLCYORBCMHFP-UHFFFAOYSA-N 0 0 329.331 3.125 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 ZINC001167420645 1383629481 /nfs/dbraw/zinc/62/94/81/1383629481.db2.gz HTCFKEUAPRHMGF-MFKMUULPSA-N 0 0 343.221 3.357 10 5 EGBERN Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC001300947169 1383686803 /nfs/dbraw/zinc/68/68/03/1383686803.db2.gz DXBPTWFQXZNUOC-UHFFFAOYSA-N 0 0 341.342 3.198 10 5 EGBERN CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCOC ZINC001306641085 1383898769 /nfs/dbraw/zinc/89/87/69/1383898769.db2.gz DXCXNBZOTBMRBJ-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306836357 1383908545 /nfs/dbraw/zinc/90/85/45/1383908545.db2.gz YBBOPVFWAJAJIM-KGLIPLIRSA-N 0 0 341.367 3.152 10 5 EGBERN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001306836358 1383908635 /nfs/dbraw/zinc/90/86/35/1383908635.db2.gz YBBOPVFWAJAJIM-UONOGXRCSA-N 0 0 341.367 3.152 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2ccc(-n3cccn3)cc2)cc1F ZINC001306928300 1383921609 /nfs/dbraw/zinc/92/16/09/1383921609.db2.gz PMKNPCPUVXUKIM-UHFFFAOYSA-N 0 0 342.330 3.024 10 5 EGBERN COC(=O)[C@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC001306963013 1383927040 /nfs/dbraw/zinc/92/70/40/1383927040.db2.gz XKFRHJWGFTXIGN-AWEZNQCLSA-N 0 0 346.358 3.486 10 5 EGBERN CC[C@H]1CCCC[C@H]1N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001306999543 1383931397 /nfs/dbraw/zinc/93/13/97/1383931397.db2.gz NSDLIRKBJQVZNS-GXTWGEPZSA-N 0 0 335.404 3.490 10 5 EGBERN COc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC001307089631 1383938661 /nfs/dbraw/zinc/93/86/61/1383938661.db2.gz MODBBRFLIHKNJC-CYBMUJFWSA-N 0 0 345.311 3.447 10 5 EGBERN CCC(O)(CC)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001307094088 1383939568 /nfs/dbraw/zinc/93/95/68/1383939568.db2.gz RYPRXFSHBUTFDO-UHFFFAOYSA-N 0 0 344.795 3.388 10 5 EGBERN COC(=O)Nc1cccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001307117184 1383942613 /nfs/dbraw/zinc/94/26/13/1383942613.db2.gz RIYOEZQPGDMFJB-UHFFFAOYSA-N 0 0 349.318 3.017 10 5 EGBERN O=C1O[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC001307150668 1383946202 /nfs/dbraw/zinc/94/62/02/1383946202.db2.gz AXKQHBZMAHFOHO-SECBINFHSA-N 0 0 346.170 3.297 10 5 EGBERN Cc1nc(N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001307155383 1383947212 /nfs/dbraw/zinc/94/72/12/1383947212.db2.gz MRPUWSNPVWQQPQ-DJIMGWMZSA-N 0 0 340.383 3.192 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CN(c2sccc2[N+](=O)[O-])CC1(C)C ZINC001307208135 1383956596 /nfs/dbraw/zinc/95/65/96/1383956596.db2.gz FCPWXXGUZQZBSY-NSHDSACASA-N 0 0 341.433 3.396 10 5 EGBERN COc1cc(N2CC[C@H](c3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001307216732 1383958706 /nfs/dbraw/zinc/95/87/06/1383958706.db2.gz YXPFRBHHYVDFCC-JTQLQIEISA-N 0 0 334.763 3.041 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC3CC(Cl)(Cl)C3)c2c1 ZINC001307219123 1383959781 /nfs/dbraw/zinc/95/97/81/1383959781.db2.gz USQAZTIQNVNQAJ-UHFFFAOYSA-N 0 0 342.182 3.322 10 5 EGBERN COC(=O)CC1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCC1 ZINC001307223982 1383960413 /nfs/dbraw/zinc/96/04/13/1383960413.db2.gz CHKVQAURYWDVQE-UHFFFAOYSA-N 0 0 327.768 3.179 10 5 EGBERN CN1C(=O)Cc2cc(CNc3ccc4ncccc4c3[N+](=O)[O-])ccc21 ZINC001307231394 1383961770 /nfs/dbraw/zinc/96/17/70/1383961770.db2.gz MLPZRWJVQAAHNV-UHFFFAOYSA-N 0 0 348.362 3.274 10 5 EGBERN COc1ccccc1N1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC001307231050 1383962091 /nfs/dbraw/zinc/96/20/91/1383962091.db2.gz FZBCLGWEWNABDV-UHFFFAOYSA-N 0 0 333.413 3.382 10 5 EGBERN Cc1nnc(CCOc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])o1 ZINC001307311220 1383969927 /nfs/dbraw/zinc/96/99/27/1383969927.db2.gz KNNMBSXREVSPBP-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN COC(=O)c1ccc(OCCOc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC001307328252 1383971983 /nfs/dbraw/zinc/97/19/83/1383971983.db2.gz VEQCDTZEDDONIN-UHFFFAOYSA-N 0 0 345.351 3.456 10 5 EGBERN Nc1ccn(Cc2ccc(-c3ccsc3)cc2)c(=O)c1[N+](=O)[O-] ZINC001307371023 1383978894 /nfs/dbraw/zinc/97/88/94/1383978894.db2.gz ZTWJGHMEHABZLE-UHFFFAOYSA-N 0 0 327.365 3.116 10 5 EGBERN O=[N+]([O-])c1nccn1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001307385525 1383980524 /nfs/dbraw/zinc/98/05/24/1383980524.db2.gz YCGKJRGMPJBCCS-UHFFFAOYSA-N 0 0 349.144 3.257 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1ccncc1Br ZINC001307646851 1384007112 /nfs/dbraw/zinc/00/71/12/1384007112.db2.gz CNKSJCVVEDSWTB-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN COc1cc(CN2CCO[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001308168649 1384104772 /nfs/dbraw/zinc/10/47/72/1384104772.db2.gz MJVZCCUVSUYZDJ-MRXNPFEDSA-N 0 0 340.395 3.380 10 5 EGBERN Cc1cc(C)c2c(c1)CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001308173826 1384105508 /nfs/dbraw/zinc/10/55/08/1384105508.db2.gz LRIUFVDFSHSZDK-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN CC(C)(CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001312779709 1384370900 /nfs/dbraw/zinc/37/09/00/1384370900.db2.gz LHOKZUPVODIWFX-UHFFFAOYSA-N 0 0 334.420 3.132 10 5 EGBERN CCc1onc(C)c1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001313241004 1384404684 /nfs/dbraw/zinc/40/46/84/1384404684.db2.gz DUWIKHPCNWMXIJ-SNVBAGLBSA-N 0 0 332.360 3.014 10 5 EGBERN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001175103017 1385195194 /nfs/dbraw/zinc/19/51/94/1385195194.db2.gz FQUGNSWIDQFDOD-ZBEGNZNMSA-N 0 0 337.807 3.451 10 5 EGBERN COC(=O)[C@](C)(NC[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001175139794 1385201521 /nfs/dbraw/zinc/20/15/21/1385201521.db2.gz HSNMPWBFNUQFAL-SUNYJGFJSA-N 0 0 334.416 3.399 10 5 EGBERN CCCN(CCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001317539633 1385274945 /nfs/dbraw/zinc/27/49/45/1385274945.db2.gz YAGTVPXCROOOMZ-UHFFFAOYSA-N 0 0 347.440 3.298 10 5 EGBERN CCCN(CCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317541941 1385280993 /nfs/dbraw/zinc/28/09/93/1385280993.db2.gz IEEBKXGSRVJTLY-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001175521899 1385319169 /nfs/dbraw/zinc/31/91/69/1385319169.db2.gz CDLLXYIZCNAOOI-OAHLLOKOSA-N 0 0 326.352 3.295 10 5 EGBERN C=C/C=C/CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001176456522 1385593527 /nfs/dbraw/zinc/59/35/27/1385593527.db2.gz BUQQGTIGHZMXMK-SNAWJCMRSA-N 0 0 337.763 3.069 10 5 EGBERN Cc1coc(C)c1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177681740 1386021581 /nfs/dbraw/zinc/02/15/81/1386021581.db2.gz UPECQDGQEQIMFH-UHFFFAOYSA-N 0 0 342.355 3.044 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C)CC(N)=O)cc1 ZINC001179346567 1386458494 /nfs/dbraw/zinc/45/84/94/1386458494.db2.gz DMOGTWRLIYLZJR-GFCCVEGCSA-N 0 0 341.367 3.134 10 5 EGBERN CN(CCN(C)C(=O)C12CCC(CC1)C2)Cc1cccc([N+](=O)[O-])c1 ZINC001320022343 1386459202 /nfs/dbraw/zinc/45/92/02/1386459202.db2.gz UWGJSENLZACTFE-UHFFFAOYSA-N 0 0 345.443 3.065 10 5 EGBERN O=C(Nc1cccnc1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001180184648 1386724306 /nfs/dbraw/zinc/72/43/06/1386724306.db2.gz QZEQNQBOMGZJRF-UHFFFAOYSA-N 0 0 349.350 3.305 10 5 EGBERN Nc1ccc(-c2nnc(-c3cccc4cccnc43)o2)cc1[N+](=O)[O-] ZINC001322271957 1387132164 /nfs/dbraw/zinc/13/21/64/1387132164.db2.gz VPATYZKCNKITGE-UHFFFAOYSA-N 0 0 333.307 3.442 10 5 EGBERN CC(C)(C)c1ccc(-c2nnc(Cn3ccc([N+](=O)[O-])n3)o2)cc1 ZINC001322295923 1387146803 /nfs/dbraw/zinc/14/68/03/1387146803.db2.gz BNLIIADAFSWCCI-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN CC[C@H]1CCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182599680 1387194738 /nfs/dbraw/zinc/19/47/38/1387194738.db2.gz CTBHJOSQVXKTGV-GXFFZTMASA-N 0 0 329.360 3.145 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCOCCCO ZINC001322527985 1387200824 /nfs/dbraw/zinc/20/08/24/1387200824.db2.gz HXSAFCRQIXCMDL-UHFFFAOYSA-N 0 0 342.701 3.078 10 5 EGBERN COc1ccccc1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001330354942 1389395990 /nfs/dbraw/zinc/39/59/90/1389395990.db2.gz SPABGCSIZQPEHE-AWEZNQCLSA-N 0 0 342.399 3.476 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001330570948 1389458552 /nfs/dbraw/zinc/45/85/52/1389458552.db2.gz IJPITRYBGCWYKI-KDOFPFPSSA-N 0 0 342.395 3.026 10 5 EGBERN C/C(=C\C(=O)NCC(C)(C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC001330691440 1389499052 /nfs/dbraw/zinc/49/90/52/1389499052.db2.gz HOMSGCPKGNDDKY-WYMLVPIESA-N 0 0 339.395 3.487 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC001331133327 1389634789 /nfs/dbraw/zinc/63/47/89/1389634789.db2.gz UGGGQXCQGOFERN-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001331448533 1389752535 /nfs/dbraw/zinc/75/25/35/1389752535.db2.gz HUGORHBEAKJNKP-HLTSFMKQSA-N 0 0 330.718 3.412 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001332179721 1390024190 /nfs/dbraw/zinc/02/41/90/1390024190.db2.gz UNEBFIKJNNLJHE-INIZCTEOSA-N 0 0 346.427 3.338 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(OC(C)(C)C)CC1 ZINC001332188934 1390032044 /nfs/dbraw/zinc/03/20/44/1390032044.db2.gz SODKBBAIUJJNSJ-UHFFFAOYSA-N 0 0 335.404 3.154 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(C)C ZINC001332298445 1390079141 /nfs/dbraw/zinc/07/91/41/1390079141.db2.gz ZIBZCYZYRCZKGC-QGZVFWFLSA-N 0 0 327.384 3.295 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC001332913374 1390215568 /nfs/dbraw/zinc/21/55/68/1390215568.db2.gz SBUNPFKTDZGEAD-AAEUAGOBSA-N 0 0 337.445 3.413 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc21 ZINC001332995816 1390233082 /nfs/dbraw/zinc/23/30/82/1390233082.db2.gz AEOJHQLATYXRHS-CQSZACIVSA-N 0 0 328.343 3.123 10 5 EGBERN CO[C@@H](COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC001333227554 1390268763 /nfs/dbraw/zinc/26/87/63/1390268763.db2.gz KMQFPMDGTRMZOA-AWEZNQCLSA-N 0 0 345.754 3.288 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333783680 1390402006 /nfs/dbraw/zinc/40/20/06/1390402006.db2.gz TWQBUSTYGOPSIQ-AYMMMOKOSA-N 0 0 331.706 3.413 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC(C)(C)CO2)c1 ZINC001334281268 1390511145 /nfs/dbraw/zinc/51/11/45/1390511145.db2.gz OHNGVYIYWOEWAO-NSHDSACASA-N 0 0 338.429 3.252 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001334833214 1390602101 /nfs/dbraw/zinc/60/21/01/1390602101.db2.gz NNBRPUGDRQEGIC-UHFFFAOYSA-N 0 0 334.206 3.141 10 5 EGBERN C[C@@H](C(=O)Oc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001344239630 1390777260 /nfs/dbraw/zinc/77/72/60/1390777260.db2.gz CPNNERWJHZTJLN-KCJUWKMLSA-N 0 0 344.161 3.078 10 5 EGBERN O=C(NCCCC1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001344352452 1390785917 /nfs/dbraw/zinc/78/59/17/1390785917.db2.gz SXWNFRMXQXMMDV-UHFFFAOYSA-N 0 0 342.342 3.010 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@]12CCC[C@@H]1OCC2 ZINC001344838555 1390818295 /nfs/dbraw/zinc/81/82/95/1390818295.db2.gz JNPCGGWBTANKFX-DOTOQJQBSA-N 0 0 337.347 3.169 10 5 EGBERN CCOc1ccc(C(=O)OC[C@]23CCC[C@@H]2OCC3)cc1[N+](=O)[O-] ZINC001344850038 1390819056 /nfs/dbraw/zinc/81/90/56/1390819056.db2.gz BKVVAFGWBNGGTI-DOTOQJQBSA-N 0 0 335.356 3.110 10 5 EGBERN C[C@H](Cc1ccno1)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001344909760 1390823642 /nfs/dbraw/zinc/82/36/42/1390823642.db2.gz NWRFBZXEWRGRJV-MRVPVSSYSA-N 0 0 344.245 3.390 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC001344998413 1390829616 /nfs/dbraw/zinc/82/96/16/1390829616.db2.gz HMYNHKZMPXCIHP-AWEZNQCLSA-N 0 0 332.356 3.181 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CCC(=O)c1cccnc1 ZINC001345157101 1390842254 /nfs/dbraw/zinc/84/22/54/1390842254.db2.gz NVSVLZUHEKMRFS-UHFFFAOYSA-N 0 0 342.351 3.313 10 5 EGBERN O=C(OCCCc1cncs1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345220816 1390849724 /nfs/dbraw/zinc/84/97/24/1390849724.db2.gz TZKAZJCANLQQBL-GJZGRUSLSA-N 0 0 332.381 3.331 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001345487809 1390862174 /nfs/dbraw/zinc/86/21/74/1390862174.db2.gz BNWHXEYCXBWBCS-CJNGLKHVSA-N 0 0 333.388 3.230 10 5 EGBERN CCc1ccc(C(=O)OC[C@]23CCC[C@@]2(OC)OCC3)cc1[N+](=O)[O-] ZINC001345629978 1390870253 /nfs/dbraw/zinc/87/02/53/1390870253.db2.gz FEIXLKGDSMQSIM-QZTJIDSGSA-N 0 0 349.383 3.247 10 5 EGBERN CC1(C)C[C@H](O)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345939239 1390895462 /nfs/dbraw/zinc/89/54/62/1390895462.db2.gz NEYRPMNYCKYWRP-LBPRGKRZSA-N 0 0 343.383 3.373 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001346104163 1390907742 /nfs/dbraw/zinc/90/77/42/1390907742.db2.gz STZQHXZIBOHUHR-XOKHGSTOSA-N 0 0 347.415 3.399 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001346657819 1390967095 /nfs/dbraw/zinc/96/70/95/1390967095.db2.gz QSZVRIVJQUYUQN-GFCCVEGCSA-N 0 0 347.293 3.088 10 5 EGBERN C[C@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001347380739 1391064951 /nfs/dbraw/zinc/06/49/51/1391064951.db2.gz MXAQANJLAQKMLZ-CYBMUJFWSA-N 0 0 349.383 3.164 10 5 EGBERN COc1ccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001347520301 1391087194 /nfs/dbraw/zinc/08/71/94/1391087194.db2.gz DEEKSFJMJULOOZ-LBPRGKRZSA-N 0 0 349.387 3.169 10 5 EGBERN COc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(OC)c1 ZINC001348187178 1391183654 /nfs/dbraw/zinc/18/36/54/1391183654.db2.gz CAQQPDRANRFQIW-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@]2(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001348553143 1391236913 /nfs/dbraw/zinc/23/69/13/1391236913.db2.gz AOIHFQLOIKQWQJ-IBGZPJMESA-N 0 0 340.379 3.285 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349293523 1391318065 /nfs/dbraw/zinc/31/80/65/1391318065.db2.gz DHEFCLBRDYVYAK-CABCVRRESA-N 0 0 340.335 3.124 10 5 EGBERN Cc1nc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001349553925 1391340352 /nfs/dbraw/zinc/34/03/52/1391340352.db2.gz MRPUWSNPVWQQPQ-XIRDDKMYSA-N 0 0 340.383 3.192 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])OCC1([C@H]2CCCCO2)CCC1 ZINC001349794844 1391368253 /nfs/dbraw/zinc/36/82/53/1391368253.db2.gz YYALRHXUPGFSMD-MRXNPFEDSA-N 0 0 349.383 3.256 10 5 EGBERN Cc1c(NC(=O)[C@H]2COc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC001349899548 1391383214 /nfs/dbraw/zinc/38/32/14/1391383214.db2.gz OZUWZKOZSWXOER-GFCCVEGCSA-N 0 0 330.315 3.232 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)[nH]c3=O)cc1[N+](=O)[O-] ZINC001349951489 1391390371 /nfs/dbraw/zinc/39/03/71/1391390371.db2.gz OJWUFUYVHRGTFI-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN Cc1cc(NC(=O)NCCC2SCCS2)cc([N+](=O)[O-])c1 ZINC001350261971 1391438040 /nfs/dbraw/zinc/43/80/40/1391438040.db2.gz DQHRNJUZHUCCHJ-UHFFFAOYSA-N 0 0 327.431 3.221 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cc([N+](=O)[O-])c1 ZINC001350262317 1391438481 /nfs/dbraw/zinc/43/84/81/1391438481.db2.gz LTFXUSYFHSPHOK-ZDUSSCGKSA-N 0 0 343.387 3.048 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001350451181 1391466342 /nfs/dbraw/zinc/46/63/42/1391466342.db2.gz QOSWYNRNIFNVRP-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2csc3ccccc23)n1 ZINC001350761142 1391527078 /nfs/dbraw/zinc/52/70/78/1391527078.db2.gz QCQROJGYSCGNBR-UHFFFAOYSA-N 0 0 341.392 3.485 10 5 EGBERN Cc1cnc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1C ZINC001351104802 1391597983 /nfs/dbraw/zinc/59/79/83/1391597983.db2.gz XRUBNIIYBOSSIH-UHFFFAOYSA-N 0 0 343.339 3.020 10 5 EGBERN COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC001351109504 1391598412 /nfs/dbraw/zinc/59/84/12/1391598412.db2.gz OGQDPXFHDQPZBE-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1cc2ccccc2nc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001351282431 1391620904 /nfs/dbraw/zinc/62/09/04/1391620904.db2.gz HCJYWRSBXAWFOI-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001351310846 1391624980 /nfs/dbraw/zinc/62/49/80/1391624980.db2.gz GPOUNTBBIAOIPB-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1ccc(NC(=O)c2cc3ccncc3s2)c([N+](=O)[O-])c1 ZINC001351378699 1391634050 /nfs/dbraw/zinc/63/40/50/1391634050.db2.gz DLZOMADOYILWNO-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cn1nc(-c2ccccc2)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001351449985 1391640394 /nfs/dbraw/zinc/64/03/94/1391640394.db2.gz ARMLWSFKEPVVHL-UHFFFAOYSA-N 0 0 337.335 3.352 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncc(Cl)cn1 ZINC001351480886 1391643684 /nfs/dbraw/zinc/64/36/84/1391643684.db2.gz OPHUARWOIHTFAM-UHFFFAOYSA-N 0 0 334.763 3.089 10 5 EGBERN Cc1nn(C)c2ncc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cc12 ZINC001351763288 1391686270 /nfs/dbraw/zinc/68/62/70/1391686270.db2.gz YKNIXPXNXCKAPI-UHFFFAOYSA-N 0 0 339.355 3.054 10 5 EGBERN O=C(COC(=O)C1(C2CCCCC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC001352657638 1391828802 /nfs/dbraw/zinc/82/88/02/1391828802.db2.gz KKGGGZFJODQBIM-UHFFFAOYSA-N 0 0 346.383 3.437 10 5 EGBERN COc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353229764 1391967000 /nfs/dbraw/zinc/96/70/00/1391967000.db2.gz TZXXFSSXVLWIOJ-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN CC(C)Oc1cc(C(=O)NCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001353381012 1391999242 /nfs/dbraw/zinc/99/92/42/1391999242.db2.gz AHTDXKWNJSHGOS-UHFFFAOYSA-N 0 0 332.331 3.451 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC001353821676 1392098193 /nfs/dbraw/zinc/09/81/93/1392098193.db2.gz FMJVAWQDWMETCI-UHFFFAOYSA-N 0 0 331.303 3.253 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001353971792 1392110593 /nfs/dbraw/zinc/11/05/93/1392110593.db2.gz NOIFFLSLXAMLMJ-AWEZNQCLSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1ccc(CCOC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001354087962 1392119606 /nfs/dbraw/zinc/11/96/06/1392119606.db2.gz SHUIYCUCSBWWCS-UHFFFAOYSA-N 0 0 329.352 3.376 10 5 EGBERN Cc1c(NC(=O)c2cnc(Br)s2)cccc1[N+](=O)[O-] ZINC001355016286 1392185982 /nfs/dbraw/zinc/18/59/82/1392185982.db2.gz RKABEWSNQFBHFD-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN O=C(Cc1nsc2ccccc12)NCc1ccc([N+](=O)[O-])cc1 ZINC001355020193 1392186319 /nfs/dbraw/zinc/18/63/19/1392186319.db2.gz APMZZWONNZJAQN-UHFFFAOYSA-N 0 0 327.365 3.063 10 5 EGBERN Cc1csc2nc(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cn12 ZINC001355066732 1392190738 /nfs/dbraw/zinc/19/07/38/1392190738.db2.gz PBJVIFZFIMTYHZ-UHFFFAOYSA-N 0 0 330.369 3.102 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1c(F)ccnc1F ZINC001355079009 1392191930 /nfs/dbraw/zinc/19/19/30/1392191930.db2.gz AELAENUKOUAOJR-UHFFFAOYSA-N 0 0 345.208 3.122 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001355144897 1392195855 /nfs/dbraw/zinc/19/58/55/1392195855.db2.gz SVHYFGJCVPCWFB-NXEZZACHSA-N 0 0 346.305 3.253 10 5 EGBERN CCc1onc(C)c1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001479419201 1392240929 /nfs/dbraw/zinc/24/09/29/1392240929.db2.gz CWTZFSXBZOLVBH-LLVKDONJSA-N 0 0 346.387 3.057 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001687575028 1396412910 /nfs/dbraw/zinc/41/29/10/1396412910.db2.gz CJDUOVMZIJQBSK-XNJGSVPQSA-N 0 0 343.383 3.077 10 5 EGBERN C[C@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001693607571 1406028871 /nfs/dbraw/zinc/02/88/71/1406028871.db2.gz ZPSAEIUULWWVEC-XHDPSFHLSA-N 0 0 327.388 3.280 10 5 EGBERN CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC001706483411 1417151107 /nfs/dbraw/zinc/15/11/07/1417151107.db2.gz FMAGHJJWRDRXLJ-UHFFFAOYSA-N 0 0 329.404 3.356 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(F)(F)F ZINC001709745253 1417450250 /nfs/dbraw/zinc/45/02/50/1417450250.db2.gz DSSSIVQIBDXVDQ-UHFFFAOYSA-N 0 0 343.309 3.262 10 5 EGBERN C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001726578662 1427069391 /nfs/dbraw/zinc/06/93/91/1427069391.db2.gz BJJQAFALHDCXLQ-OSAQELSMSA-N 0 0 345.378 3.373 10 5 EGBERN C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001726578661 1427069537 /nfs/dbraw/zinc/06/95/37/1427069537.db2.gz BJJQAFALHDCXLQ-CORIIIEPSA-N 0 0 345.378 3.373 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1[C@@H]1C[C@H]1C ZINC001762529155 1441376304 /nfs/dbraw/zinc/37/63/04/1441376304.db2.gz IGHQLEWEBBDVEB-BDJLRTHQSA-N 0 0 327.388 3.245 10 5 EGBERN CC(C)NC(=O)N(C)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000052405917 214126788 /nfs/dbraw/zinc/12/67/88/214126788.db2.gz VAJRIZHRGCVGDZ-UHFFFAOYSA-N 0 0 330.344 3.336 10 5 EGBERN CC[C@H](NC(=O)NCCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000178399260 529503267 /nfs/dbraw/zinc/50/32/67/529503267.db2.gz MMYCPFARTLWYJZ-KRWDZBQOSA-N 0 0 342.399 3.373 10 5 EGBERN CCc1nc(C2(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000178358364 529730973 /nfs/dbraw/zinc/73/09/73/529730973.db2.gz GNIJMDJJZDISAE-UHFFFAOYSA-N 0 0 345.359 3.131 10 5 EGBERN Cc1nn2c(Nc3ccc(Cl)cc3)nc3ccccc3c2nc1=O ZINC000089499477 282306851 /nfs/dbraw/zinc/30/68/51/282306851.db2.gz KBSYMECOWHPPEI-UHFFFAOYSA-N 0 0 337.770 3.343 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000177614314 231940401 /nfs/dbraw/zinc/94/04/01/231940401.db2.gz PCDVOFBWOQCVFR-CVEARBPZSA-N 0 0 330.384 3.267 10 5 EGBERN O=[N+]([O-])c1cccnc1Sc1nnc(Cc2ccccc2F)o1 ZINC000068912953 215344287 /nfs/dbraw/zinc/34/42/87/215344287.db2.gz JLOFDTKFLPFRJU-UHFFFAOYSA-N 0 0 332.316 3.254 10 5 EGBERN Cc1ccc(CNc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040650721 213363683 /nfs/dbraw/zinc/36/36/83/213363683.db2.gz DWCLVXKZYKWWQT-UHFFFAOYSA-N 0 0 330.392 3.020 10 5 EGBERN O=[N+]([O-])c1c(Oc2cccnc2)ncnc1N1CCc2ccccc21 ZINC000040586221 213354932 /nfs/dbraw/zinc/35/49/32/213354932.db2.gz JZPVYAQIDYJHTN-UHFFFAOYSA-N 0 0 335.323 3.266 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000267262736 290983919 /nfs/dbraw/zinc/98/39/19/290983919.db2.gz KTJHUJFTULSGDV-WCQYABFASA-N 0 0 344.396 3.270 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1Cl ZINC000127565937 222856446 /nfs/dbraw/zinc/85/64/46/222856446.db2.gz CGEFDCNUAPMJSJ-UHFFFAOYSA-N 0 0 349.700 3.032 10 5 EGBERN CCc1nnc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1C ZINC000069625566 215505260 /nfs/dbraw/zinc/50/52/60/215505260.db2.gz YQULDHTUADZGCI-UHFFFAOYSA-N 0 0 336.417 3.365 10 5 EGBERN Cc1cnn(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000071900786 215942920 /nfs/dbraw/zinc/94/29/20/215942920.db2.gz PHWUDLFRHIBVSJ-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000072203788 216069320 /nfs/dbraw/zinc/06/93/20/216069320.db2.gz PTKJKTUAPMZJNT-OLZOCXBDSA-N 0 0 336.392 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)c2ncccc12 ZINC000030619529 212704004 /nfs/dbraw/zinc/70/40/04/212704004.db2.gz YHXWHRPRQKYUFC-GFCCVEGCSA-N 0 0 337.335 3.395 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359708407 291269183 /nfs/dbraw/zinc/26/91/83/291269183.db2.gz UTLOPGWDTXYIHJ-YUMQZZPRSA-N 0 0 334.323 3.471 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000074235303 216468411 /nfs/dbraw/zinc/46/84/11/216468411.db2.gz XTHUCVQSEUPJMP-YPMHNXCESA-N 0 0 349.387 3.227 10 5 EGBERN Cc1ccc([C@](O)(CCNc2ncccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000022406360 212295812 /nfs/dbraw/zinc/29/58/12/212295812.db2.gz XNIPOAHJQKCIOY-CYBMUJFWSA-N 0 0 345.277 3.143 10 5 EGBERN Cc1cc(N[C@H](CO)CC(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232623613 242272800 /nfs/dbraw/zinc/27/28/00/242272800.db2.gz BKSZLRFEQJMLDN-JTQLQIEISA-N 0 0 331.210 3.485 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br ZINC000019477954 212030886 /nfs/dbraw/zinc/03/08/86/212030886.db2.gz BSEMYXNHCGNGPP-UHFFFAOYSA-N 0 0 337.129 3.249 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000111700549 220182229 /nfs/dbraw/zinc/18/22/29/220182229.db2.gz DWXPVPZFLJZPNE-HNNXBMFYSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1csc(NC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000377357846 169014603 /nfs/dbraw/zinc/01/46/03/169014603.db2.gz CUZSJNRULAVBNS-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000378600263 169145040 /nfs/dbraw/zinc/14/50/40/169145040.db2.gz QCHOMGVXCPPVTF-LLVKDONJSA-N 0 0 344.820 3.120 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000378647411 169152538 /nfs/dbraw/zinc/15/25/38/169152538.db2.gz QUCPQZTWTVBPAP-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000408259182 169167684 /nfs/dbraw/zinc/16/76/84/169167684.db2.gz HTWGFAYZRBBEKG-MRXNPFEDSA-N 0 0 331.416 3.230 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl ZINC000012748467 211443949 /nfs/dbraw/zinc/44/39/49/211443949.db2.gz XVSQBTKIMVMULX-UHFFFAOYSA-N 0 0 329.143 3.127 10 5 EGBERN COc1ccccc1CN(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000091790185 218066958 /nfs/dbraw/zinc/06/69/58/218066958.db2.gz AMRIGYCZZDDZGV-RMKNXTFCSA-N 0 0 342.395 3.111 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1c[nH]c2ccccc21 ZINC000008329871 210937778 /nfs/dbraw/zinc/93/77/78/210937778.db2.gz SUMFJWUXHJOUML-SECBINFHSA-N 0 0 328.280 3.097 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(Cn2cccn2)CC1 ZINC000112080682 285079192 /nfs/dbraw/zinc/07/91/92/285079192.db2.gz IBFGXRFRGXXLTF-UHFFFAOYSA-N 0 0 337.383 3.256 10 5 EGBERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCO2)o1 ZINC000097163043 218979218 /nfs/dbraw/zinc/97/92/18/218979218.db2.gz YMQQVYUEQOODIK-INIZCTEOSA-N 0 0 345.355 3.410 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1F ZINC000269076212 255525258 /nfs/dbraw/zinc/52/52/58/255525258.db2.gz BWEKUVPPJAYTKC-MEBBXXQBSA-N 0 0 342.392 3.209 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000154882666 224320637 /nfs/dbraw/zinc/32/06/37/224320637.db2.gz ALMOTCNSWYIWJY-LLVKDONJSA-N 0 0 330.388 3.346 10 5 EGBERN COCCCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119623658 221362816 /nfs/dbraw/zinc/36/28/16/221362816.db2.gz BWNXXEDNOHKGMS-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175862481 533353893 /nfs/dbraw/zinc/35/38/93/533353893.db2.gz BGKFAEFMMTXAFZ-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000025908674 140787583 /nfs/dbraw/zinc/78/75/83/140787583.db2.gz NRAKOHOPYGARDW-NSHDSACASA-N 0 0 347.346 3.032 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000342841571 141152012 /nfs/dbraw/zinc/15/20/12/141152012.db2.gz OVDDAEYGOWJDDD-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C(F)F)c1Cl ZINC000348148135 141238410 /nfs/dbraw/zinc/23/84/10/141238410.db2.gz QWHIBZZGMCRULE-UHFFFAOYSA-N 0 0 330.678 3.021 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(F)(F)F)CC2)c1 ZINC000356312788 141339778 /nfs/dbraw/zinc/33/97/78/141339778.db2.gz PNOZQNFXOGNIEY-UHFFFAOYSA-N 0 0 334.319 3.389 10 5 EGBERN C[C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356832326 141350931 /nfs/dbraw/zinc/35/09/31/141350931.db2.gz RHSHNVXBAGUZOD-QWHCGFSZSA-N 0 0 334.420 3.075 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359602224 141383663 /nfs/dbraw/zinc/38/36/63/141383663.db2.gz JNMVCFFUEIZRLD-UHFFFAOYSA-N 0 0 339.351 3.253 10 5 EGBERN Cc1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)n1 ZINC000173416401 144041628 /nfs/dbraw/zinc/04/16/28/144041628.db2.gz VQVQRNGFJREXOC-GFCCVEGCSA-N 0 0 346.412 3.083 10 5 EGBERN CCc1nc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184768279 144098727 /nfs/dbraw/zinc/09/87/27/144098727.db2.gz CCDOQDWPKPFPIE-CYBMUJFWSA-N 0 0 347.440 3.499 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000185452790 144112708 /nfs/dbraw/zinc/11/27/08/144112708.db2.gz BBABHIRERBKYJC-LBPRGKRZSA-N 0 0 339.355 3.156 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000185452805 144112729 /nfs/dbraw/zinc/11/27/29/144112729.db2.gz BBABHIRERBKYJC-GFCCVEGCSA-N 0 0 339.355 3.156 10 5 EGBERN COc1ccc(CNc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-] ZINC000185482537 144113679 /nfs/dbraw/zinc/11/36/79/144113679.db2.gz FAHYHYIJRRXJOA-UHFFFAOYSA-N 0 0 339.355 3.011 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2ncc(-c3ccccc3)cn2)cs1 ZINC000185867781 144121118 /nfs/dbraw/zinc/12/11/18/144121118.db2.gz CFWANNWWLDTERC-UHFFFAOYSA-N 0 0 326.381 3.403 10 5 EGBERN CCc1onc(C)c1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000187418196 144158936 /nfs/dbraw/zinc/15/89/36/144158936.db2.gz PMLAAJCPJKBPKO-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN CCOc1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000187508149 144159812 /nfs/dbraw/zinc/15/98/12/144159812.db2.gz JWSSEGZIJSMNSF-MRXNPFEDSA-N 0 0 348.399 3.025 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000192483791 144175179 /nfs/dbraw/zinc/17/51/79/144175179.db2.gz GLFKBQPFONVOCC-MRVPVSSYSA-N 0 0 326.328 3.020 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2c1C ZINC000344898093 144239277 /nfs/dbraw/zinc/23/92/77/144239277.db2.gz YISVSIYIYZUZOW-UHFFFAOYSA-N 0 0 330.275 3.139 10 5 EGBERN Cc1[nH]c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3N)cc2c1C ZINC000344936261 144244440 /nfs/dbraw/zinc/24/44/40/144244440.db2.gz PJGZWDVWKLPVFU-UHFFFAOYSA-N 0 0 338.367 3.205 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000351605505 144286849 /nfs/dbraw/zinc/28/68/49/144286849.db2.gz NXMBVYNURIRMPY-INIZCTEOSA-N 0 0 337.351 3.158 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351767408 144303860 /nfs/dbraw/zinc/30/38/60/144303860.db2.gz VIKPGJWUJUXLRL-NWDGAFQWSA-N 0 0 326.343 3.122 10 5 EGBERN CCOC(=O)CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000351877290 144319086 /nfs/dbraw/zinc/31/90/86/144319086.db2.gz BSYQTJACGVPPRW-UHFFFAOYSA-N 0 0 330.331 3.037 10 5 EGBERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341078657 155144659 /nfs/dbraw/zinc/14/46/59/155144659.db2.gz WNHTUXDFGYJGON-MNOVXSKESA-N 0 0 346.387 3.364 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000341112680 155166172 /nfs/dbraw/zinc/16/61/72/155166172.db2.gz WVPAVCWQTMLSME-WFASDCNBSA-N 0 0 344.371 3.499 10 5 EGBERN COCc1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000341157099 155197213 /nfs/dbraw/zinc/19/72/13/155197213.db2.gz MBUNHBDIQDEUHT-UHFFFAOYSA-N 0 0 336.294 3.201 10 5 EGBERN Cc1ncc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000341482256 155315573 /nfs/dbraw/zinc/31/55/73/155315573.db2.gz NKQZVHPJESDSAW-UHFFFAOYSA-N 0 0 344.396 3.301 10 5 EGBERN CC1CCC(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000341518849 155331036 /nfs/dbraw/zinc/33/10/36/155331036.db2.gz ZWXWUEMJSDOCIF-UHFFFAOYSA-N 0 0 326.343 3.358 10 5 EGBERN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115222904 152000208 /nfs/dbraw/zinc/00/02/08/152000208.db2.gz DUCFAYNWXUEVBI-AWEZNQCLSA-N 0 0 342.399 3.402 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116353342 152058560 /nfs/dbraw/zinc/05/85/60/152058560.db2.gz BUOWPFRAJZSNOR-ZDUSSCGKSA-N 0 0 336.369 3.022 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2c1C ZINC000118201604 152130330 /nfs/dbraw/zinc/13/03/30/152130330.db2.gz RKFISCJREQUZOB-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000120360214 152271136 /nfs/dbraw/zinc/27/11/36/152271136.db2.gz ABXHXPOFAOBKLP-CABZTGNLSA-N 0 0 348.305 3.168 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121536000 152356804 /nfs/dbraw/zinc/35/68/04/152356804.db2.gz OEHYJSLUJWJRLG-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000153113565 152525284 /nfs/dbraw/zinc/52/52/84/152525284.db2.gz LVCIRTHQFQMDPQ-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN CCc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000155488268 152629039 /nfs/dbraw/zinc/62/90/39/152629039.db2.gz FTIJLLXEXGJJRY-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190433344 153140762 /nfs/dbraw/zinc/14/07/62/153140762.db2.gz AWMVEDDFBRSWHA-UHFFFAOYSA-N 0 0 346.412 3.076 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)c1ccc(F)cc1[N+](=O)[O-] ZINC000337424015 154346918 /nfs/dbraw/zinc/34/69/18/154346918.db2.gz RDVFAGYIMRKLNL-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000339149621 154722030 /nfs/dbraw/zinc/72/20/30/154722030.db2.gz YEFMLOYEOSYBNQ-GFCCVEGCSA-N 0 0 330.340 3.320 10 5 EGBERN COc1cc(OCC(=O)N2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341023380 155125516 /nfs/dbraw/zinc/12/55/16/155125516.db2.gz OAIRIFHEFBRTJG-LBPRGKRZSA-N 0 0 342.351 3.086 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(Cl)cn1 ZINC000342919841 155580450 /nfs/dbraw/zinc/58/04/50/155580450.db2.gz WWLKVVSFAQDICA-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCC(=O)c2cccn21)c1cccc([N+](=O)[O-])c1 ZINC000345202007 155992498 /nfs/dbraw/zinc/99/24/98/155992498.db2.gz GYMCXSKGYKSQJG-GDBMZVCRSA-N 0 0 341.367 3.181 10 5 EGBERN O=C(c1ccc(-c2ccccc2)o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000345264806 156024872 /nfs/dbraw/zinc/02/48/72/156024872.db2.gz KMGZPPOLDNNMPL-UHFFFAOYSA-N 0 0 349.346 3.448 10 5 EGBERN CC(C)Oc1ccccc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346865449 156170729 /nfs/dbraw/zinc/17/07/29/156170729.db2.gz HCXDNXHUJMYWTN-UHFFFAOYSA-N 0 0 340.339 3.418 10 5 EGBERN Cc1c(Cc2noc(-c3cn4ccnc4s3)n2)cccc1[N+](=O)[O-] ZINC000346885692 156178717 /nfs/dbraw/zinc/17/87/17/156178717.db2.gz RZFRTZWHFBEFQD-UHFFFAOYSA-N 0 0 341.352 3.253 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346888993 156181756 /nfs/dbraw/zinc/18/17/56/156181756.db2.gz KNKQFOUKBCAVBA-SECBINFHSA-N 0 0 342.220 3.267 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOc1ccccc1 ZINC000348935831 156293563 /nfs/dbraw/zinc/29/35/63/156293563.db2.gz NQMUKTRQQHSRCK-ZDUSSCGKSA-N 0 0 326.352 3.342 10 5 EGBERN CC(=O)c1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000348937921 156294719 /nfs/dbraw/zinc/29/47/19/156294719.db2.gz YHFKAUOYNYZVDS-LBPRGKRZSA-N 0 0 338.363 3.318 10 5 EGBERN Cc1cc(C(=O)N2CCC(c3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000362178479 157060209 /nfs/dbraw/zinc/06/02/09/157060209.db2.gz HVCJXKXWEBLWNN-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000368765994 157284821 /nfs/dbraw/zinc/28/48/21/157284821.db2.gz UCOOSSIKOJPJKG-MRXNPFEDSA-N 0 0 334.416 3.193 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H](C2CC2)C1 ZINC000372474343 157338905 /nfs/dbraw/zinc/33/89/05/157338905.db2.gz QGOAFJGIFOKXKO-ZDUSSCGKSA-N 0 0 332.381 3.061 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000372579797 157360356 /nfs/dbraw/zinc/36/03/56/157360356.db2.gz XMWWWBDHEBSRFQ-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ncn(CCOc3ccc(F)cc3)n2)c1 ZINC000072085968 161650069 /nfs/dbraw/zinc/65/00/69/161650069.db2.gz ZVWMJYLFBLIJTK-UHFFFAOYSA-N 0 0 328.303 3.071 10 5 EGBERN O=[N+]([O-])c1c(NCc2cccnc2-n2ccnc2)ccc2ncccc21 ZINC000112073894 162162674 /nfs/dbraw/zinc/16/26/74/162162674.db2.gz LRECJEFJWNKBMI-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN Cc1ccc(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000113136082 162202185 /nfs/dbraw/zinc/20/21/85/162202185.db2.gz GPJUAXOHXDNUAS-MRXNPFEDSA-N 0 0 339.395 3.454 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000114393605 162229363 /nfs/dbraw/zinc/22/93/63/162229363.db2.gz PXYJKHHPGICKFA-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114511507 162236812 /nfs/dbraw/zinc/23/68/12/162236812.db2.gz DFDNRLJFACKBAU-OAHLLOKOSA-N 0 0 343.387 3.314 10 5 EGBERN CSCCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125658085 162282826 /nfs/dbraw/zinc/28/28/26/162282826.db2.gz YRCRKZCFLOTSOK-SNVBAGLBSA-N 0 0 346.836 3.275 10 5 EGBERN COc1ccc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000184856185 162841921 /nfs/dbraw/zinc/84/19/21/162841921.db2.gz KGISAFBUEAFZMK-SECBINFHSA-N 0 0 344.302 3.339 10 5 EGBERN CC[C@@H](NC(=O)c1cnc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337042654 163112610 /nfs/dbraw/zinc/11/26/10/163112610.db2.gz JNVITHHNANUOBY-MRXNPFEDSA-N 0 0 336.351 3.419 10 5 EGBERN CCc1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000354358596 166009100 /nfs/dbraw/zinc/00/91/00/166009100.db2.gz LLHJKDQLEDYVSN-UHFFFAOYSA-N 0 0 329.356 3.258 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000341841384 163723583 /nfs/dbraw/zinc/72/35/83/163723583.db2.gz PVGZKFFGOWRGJZ-UHFFFAOYSA-N 0 0 332.747 3.243 10 5 EGBERN COc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1F ZINC000343892050 164060077 /nfs/dbraw/zinc/06/00/77/164060077.db2.gz SBYOGODOLOBXCI-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN COC(=O)CC1(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000344006841 164081995 /nfs/dbraw/zinc/08/19/95/164081995.db2.gz JDPCUGDVHFGJRD-UHFFFAOYSA-N 0 0 334.372 3.355 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000344050515 164091245 /nfs/dbraw/zinc/09/12/45/164091245.db2.gz QYZRZAQLLHFXHO-LBPRGKRZSA-N 0 0 341.367 3.353 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)nc21 ZINC000345930792 164297981 /nfs/dbraw/zinc/29/79/81/164297981.db2.gz COHDHMVNYIROTL-UHFFFAOYSA-N 0 0 349.350 3.191 10 5 EGBERN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2s1 ZINC000346050931 164326780 /nfs/dbraw/zinc/32/67/80/164326780.db2.gz RNYVCLIJHQIRJQ-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000346387442 164378501 /nfs/dbraw/zinc/37/85/01/164378501.db2.gz QWEXLAWDPHCJBD-NSHDSACASA-N 0 0 335.282 3.312 10 5 EGBERN COc1cc(-c2nc([C@H]3CCO[C@H](C)C3)no2)cc([N+](=O)[O-])c1C ZINC000346653555 164410658 /nfs/dbraw/zinc/41/06/58/164410658.db2.gz JBNHJUKENRBMGP-KOLCDFICSA-N 0 0 333.344 3.244 10 5 EGBERN Cc1cc(OCc2nc([C@H]3CCO[C@H](C)C3)no2)ccc1[N+](=O)[O-] ZINC000346654328 164410894 /nfs/dbraw/zinc/41/08/94/164410894.db2.gz SXLWEMXDSRSZSW-NEPJUHHUSA-N 0 0 333.344 3.148 10 5 EGBERN CO[C@H](C)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347274463 164471560 /nfs/dbraw/zinc/47/15/60/164471560.db2.gz KDKYMGJBFWXKHR-MRVPVSSYSA-N 0 0 331.166 3.111 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000347573602 164523537 /nfs/dbraw/zinc/52/35/37/164523537.db2.gz BEZKSLZXKVWNCJ-NWDGAFQWSA-N 0 0 340.445 3.234 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc12 ZINC000354998612 166083046 /nfs/dbraw/zinc/08/30/46/166083046.db2.gz WTWRTIZXVPXHSN-UHFFFAOYSA-N 0 0 349.350 3.373 10 5 EGBERN COc1cc(COc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000351914088 165147108 /nfs/dbraw/zinc/14/71/08/165147108.db2.gz ZAYMWEXWIVTZDT-UHFFFAOYSA-N 0 0 342.351 3.309 10 5 EGBERN COc1cc(CSCc2nc([C@@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000352039626 165205411 /nfs/dbraw/zinc/20/54/11/165205411.db2.gz HUPNUANHXVLFOM-SECBINFHSA-N 0 0 339.373 3.127 10 5 EGBERN COc1ccc2c(c1)c(=O)ncn2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352221794 165293446 /nfs/dbraw/zinc/29/34/46/165293446.db2.gz KRXPPRIJTPSNDL-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN COc1cc(COc2cc3cnccc3nc2C)ccc1[N+](=O)[O-] ZINC000352223538 165294133 /nfs/dbraw/zinc/29/41/33/165294133.db2.gz RVWGPCHZPUOEHN-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN COc1cc(CN2CCN(C)c3ccccc3C2)ccc1[N+](=O)[O-] ZINC000352408194 165384760 /nfs/dbraw/zinc/38/47/60/165384760.db2.gz XEGHEVRRBRGYGI-UHFFFAOYSA-N 0 0 327.384 3.055 10 5 EGBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000355176042 166123731 /nfs/dbraw/zinc/12/37/31/166123731.db2.gz KIOFWSDUBAMLOM-APPDUMDISA-N 0 0 338.379 3.041 10 5 EGBERN Cc1c(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355185910 166126428 /nfs/dbraw/zinc/12/64/28/166126428.db2.gz VJHBIHIVKVMZHK-KPZWWZAWSA-N 0 0 334.416 3.210 10 5 EGBERN CC[C@H](NC(=O)c1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000355339413 166169490 /nfs/dbraw/zinc/16/94/90/166169490.db2.gz FASUCFBXUAUXCJ-HNNXBMFYSA-N 0 0 336.351 3.419 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000355370598 166178141 /nfs/dbraw/zinc/17/81/41/166178141.db2.gz NLWQVNAGANIOTG-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000355392439 166182873 /nfs/dbraw/zinc/18/28/73/166182873.db2.gz FBUKEXKGQNUBMI-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN Cc1cccnc1-c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000355823380 166320387 /nfs/dbraw/zinc/32/03/87/166320387.db2.gz LLSUCZBBVIYSQE-UHFFFAOYSA-N 0 0 332.266 3.488 10 5 EGBERN Cc1cccnc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000355840448 166324928 /nfs/dbraw/zinc/32/49/28/166324928.db2.gz LAQGNSDPLVTLDB-UHFFFAOYSA-N 0 0 335.323 3.420 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)s1 ZINC000355875818 166334363 /nfs/dbraw/zinc/33/43/63/166334363.db2.gz BNHBXSLRGDTMRB-UHFFFAOYSA-N 0 0 331.275 3.251 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 ZINC000355898242 166341611 /nfs/dbraw/zinc/34/16/11/166341611.db2.gz VCVVWTIYPAKEFH-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(n1)CCCC2 ZINC000355965056 166361471 /nfs/dbraw/zinc/36/14/71/166361471.db2.gz LGTANCDUPCOOEZ-UHFFFAOYSA-N 0 0 339.395 3.183 10 5 EGBERN Cc1[nH]nc2ncc(-c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)cc12 ZINC000355977175 166364808 /nfs/dbraw/zinc/36/48/08/166364808.db2.gz GPALUDGNXMBFMB-UHFFFAOYSA-N 0 0 336.311 3.200 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000356025191 166378265 /nfs/dbraw/zinc/37/82/65/166378265.db2.gz PPUULODJXLPLHQ-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1Cc2ccccc21 ZINC000356062026 166389474 /nfs/dbraw/zinc/38/94/74/166389474.db2.gz PZGKLAIODNUUHW-GOSISDBHSA-N 0 0 333.347 3.367 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CCOC)c2ccco2)cc1[N+](=O)[O-] ZINC000356072284 166392598 /nfs/dbraw/zinc/39/25/98/166392598.db2.gz GXOQLPGBFYWHDP-CYBMUJFWSA-N 0 0 348.355 3.094 10 5 EGBERN Cc1nn(C)c(-c2nc(C[C@@H](C)c3ccccc3)no2)c1[N+](=O)[O-] ZINC000357281497 166634605 /nfs/dbraw/zinc/63/46/05/166634605.db2.gz GGWNPHLOSRJWON-SNVBAGLBSA-N 0 0 327.344 3.033 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357473423 166689470 /nfs/dbraw/zinc/68/94/70/166689470.db2.gz QOCRRRRVXTVTBI-YPMHNXCESA-N 0 0 342.355 3.263 10 5 EGBERN C[C@@H]1C[C@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490052 166693644 /nfs/dbraw/zinc/69/36/44/166693644.db2.gz UTZHMSXECGSGBI-NXEZZACHSA-N 0 0 339.298 3.400 10 5 EGBERN CC[C@@H](NC(=O)Cn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000357670102 166740619 /nfs/dbraw/zinc/74/06/19/166740619.db2.gz FWXSWDGQUDQHFN-OAHLLOKOSA-N 0 0 338.367 3.212 10 5 EGBERN COC1CCC(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)CC1 ZINC000357739711 166760252 /nfs/dbraw/zinc/76/02/52/166760252.db2.gz IUMVQRPCYRFJHW-UHFFFAOYSA-N 0 0 332.360 3.096 10 5 EGBERN Cc1noc(C)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358993549 167030236 /nfs/dbraw/zinc/03/02/36/167030236.db2.gz OXDKBCYWUXWEEU-UHFFFAOYSA-N 0 0 327.243 3.053 10 5 EGBERN CC[C@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359063812 167055447 /nfs/dbraw/zinc/05/54/47/167055447.db2.gz GBWQVFSNVCOHGM-WFASDCNBSA-N 0 0 335.404 3.255 10 5 EGBERN Cc1ccc(O)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000359368843 167138111 /nfs/dbraw/zinc/13/81/11/167138111.db2.gz UAAZMHWVMHSCDF-UHFFFAOYSA-N 0 0 338.266 3.463 10 5 EGBERN Cc1c(C(=O)NCc2cc(=O)[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000359786216 167231934 /nfs/dbraw/zinc/23/19/34/167231934.db2.gz FGDHJBMNGAIFDE-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1noc(COc2ccc(Oc3ccncc3[N+](=O)[O-])cc2)n1 ZINC000360352561 167308785 /nfs/dbraw/zinc/30/87/85/167308785.db2.gz KGCHVUBXUXXVCO-UHFFFAOYSA-N 0 0 328.284 3.053 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cc2cc(Br)ccc2[nH]1 ZINC000361000567 167479093 /nfs/dbraw/zinc/47/90/93/167479093.db2.gz BSIIPZGNOZGPHJ-UHFFFAOYSA-N 0 0 347.172 3.268 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000361857490 167677682 /nfs/dbraw/zinc/67/76/82/167677682.db2.gz AZQOTPZHQFEQGA-CYBMUJFWSA-N 0 0 349.412 3.437 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3ccccn3)CC2)c1F ZINC000367074317 168176549 /nfs/dbraw/zinc/17/65/49/168176549.db2.gz OKLIOUTXWGQUAY-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367555931 168241500 /nfs/dbraw/zinc/24/15/00/168241500.db2.gz FFWCLMTVJUPCMH-WMZOPIPTSA-N 0 0 340.379 3.411 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CCC1 ZINC000160248153 225371662 /nfs/dbraw/zinc/37/16/62/225371662.db2.gz SKBVDXKKZMBGOW-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174469849 265052282 /nfs/dbraw/zinc/05/22/82/265052282.db2.gz ONBMEDBTZNEVDP-GOSISDBHSA-N 0 0 349.431 3.086 10 5 EGBERN CCOc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-] ZINC000174895665 265077536 /nfs/dbraw/zinc/07/75/36/265077536.db2.gz ZOPVWDGDZJDRDI-ZDUSSCGKSA-N 0 0 345.403 3.135 10 5 EGBERN O=C(NC[C@@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175184660 265099796 /nfs/dbraw/zinc/09/97/96/265099796.db2.gz WFTSNDJSIVTTAQ-LBPRGKRZSA-N 0 0 349.774 3.146 10 5 EGBERN O=C(NC[C@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175184676 265100059 /nfs/dbraw/zinc/10/00/59/265100059.db2.gz WFTSNDJSIVTTAQ-GFCCVEGCSA-N 0 0 349.774 3.146 10 5 EGBERN CSCCCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176262071 265165292 /nfs/dbraw/zinc/16/52/92/265165292.db2.gz UOWLZFVCKOIUFJ-LBPRGKRZSA-N 0 0 325.434 3.407 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000176272437 265166722 /nfs/dbraw/zinc/16/67/22/265166722.db2.gz GJPGSMQCFMTGTH-MEDUHNTESA-N 0 0 345.403 3.148 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177780818 265277171 /nfs/dbraw/zinc/27/71/71/265277171.db2.gz HQVZLJYYPZDEBG-MRXNPFEDSA-N 0 0 342.351 3.263 10 5 EGBERN CN([C@@H]1CCc2ccccc21)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178625176 265330883 /nfs/dbraw/zinc/33/08/83/265330883.db2.gz RITVHRTUAOHFSI-QGZVFWFLSA-N 0 0 346.408 3.044 10 5 EGBERN COC(=O)CC1(CC(=O)N(C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000188032445 265645781 /nfs/dbraw/zinc/64/57/81/265645781.db2.gz LMJJPHNWFWGCRE-UHFFFAOYSA-N 0 0 334.372 3.071 10 5 EGBERN CCSc1ccc([C@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191600031 265919935 /nfs/dbraw/zinc/91/99/35/265919935.db2.gz JQJJATZGCWOUKY-NSHDSACASA-N 0 0 348.428 3.414 10 5 EGBERN COc1ccc2[nH]c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2c1 ZINC000191723343 265926542 /nfs/dbraw/zinc/92/65/42/265926542.db2.gz XEBJDWHCYJBTIH-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000193342916 266024764 /nfs/dbraw/zinc/02/47/64/266024764.db2.gz BZGXUDCKGUDFJN-GFCCVEGCSA-N 0 0 347.806 3.428 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193482430 266037073 /nfs/dbraw/zinc/03/70/73/266037073.db2.gz FAPHPNPSSDBZDD-UHFFFAOYSA-N 0 0 331.353 3.185 10 5 EGBERN Cc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000194275230 266103301 /nfs/dbraw/zinc/10/33/01/266103301.db2.gz LEKNUUARNCSDEM-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000194731200 266140321 /nfs/dbraw/zinc/14/03/21/266140321.db2.gz JUEDVZVOHLQYGA-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN COCC[C@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273232725 267001864 /nfs/dbraw/zinc/00/18/64/267001864.db2.gz GCFRBALJKGKCCW-DBTPVHCXSA-N 0 0 344.367 3.485 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)COCC(F)(F)F ZINC000273354783 267025998 /nfs/dbraw/zinc/02/59/98/267025998.db2.gz YURSHBLEIDWGAK-PFEDMVJOSA-N 0 0 346.305 3.082 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1O ZINC000273440659 267040416 /nfs/dbraw/zinc/04/04/16/267040416.db2.gz HETVJHQLILZSEB-AAEUAGOBSA-N 0 0 340.807 3.117 10 5 EGBERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372010607 274625541 /nfs/dbraw/zinc/62/55/41/274625541.db2.gz PMKFKTSXYMWKIF-AAEUAGOBSA-N 0 0 329.331 3.147 10 5 EGBERN Cn1cnc2cc(-c3noc(-c4cc(F)cc([N+](=O)[O-])c4)n3)ccc21 ZINC000356878120 274899364 /nfs/dbraw/zinc/89/93/64/274899364.db2.gz JEHNDVFLYZZXMM-UHFFFAOYSA-N 0 0 339.286 3.338 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000044623596 275131951 /nfs/dbraw/zinc/13/19/51/275131951.db2.gz JYVUYGIGXHMGDV-AWEZNQCLSA-N 0 0 325.368 3.148 10 5 EGBERN COc1ccc(OC)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377176 275161806 /nfs/dbraw/zinc/16/18/06/275161806.db2.gz XAIFRECOGZYRLG-LLVKDONJSA-N 0 0 342.351 3.203 10 5 EGBERN COc1ccc(OC)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377178 275161835 /nfs/dbraw/zinc/16/18/35/275161835.db2.gz XAIFRECOGZYRLG-NSHDSACASA-N 0 0 342.351 3.203 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475402 275183727 /nfs/dbraw/zinc/18/37/27/275183727.db2.gz HKEDLAQISATDEZ-UGSOOPFHSA-N 0 0 339.395 3.370 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000191531682 275222200 /nfs/dbraw/zinc/22/22/00/275222200.db2.gz NQTIMHWIIYKDFV-UHFFFAOYSA-N 0 0 344.415 3.081 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2cc(C)cc(OC)c2C)c1[N+](=O)[O-] ZINC000279260672 275317142 /nfs/dbraw/zinc/31/71/42/275317142.db2.gz XDINSNYBFQLLSV-UHFFFAOYSA-N 0 0 332.360 3.148 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000280520710 275460115 /nfs/dbraw/zinc/46/01/15/275460115.db2.gz GCYWOOCIYLXUEU-VIFPVBQESA-N 0 0 343.177 3.031 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280759522 275492689 /nfs/dbraw/zinc/49/26/89/275492689.db2.gz NICSIQSVUWRRLI-NSHDSACASA-N 0 0 331.376 3.334 10 5 EGBERN Cc1ccc(CN(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000280881619 275503662 /nfs/dbraw/zinc/50/36/62/275503662.db2.gz CMUQULWCANZFCE-UHFFFAOYSA-N 0 0 332.356 3.232 10 5 EGBERN Cc1sc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000283695708 275745263 /nfs/dbraw/zinc/74/52/63/275745263.db2.gz UWIVNBIFJPCVBZ-UHFFFAOYSA-N 0 0 349.368 3.188 10 5 EGBERN Nc1ccc(NCc2ccc(N3CCCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000286393758 275993253 /nfs/dbraw/zinc/99/32/53/275993253.db2.gz NNWRZILZJVYIKL-UHFFFAOYSA-N 0 0 340.383 3.306 10 5 EGBERN CCOc1cccc(N2CC=C(c3ccnn3C)CC2)c1[N+](=O)[O-] ZINC000286696672 276034293 /nfs/dbraw/zinc/03/42/93/276034293.db2.gz XZSXBOVEDMRTFA-UHFFFAOYSA-N 0 0 328.372 3.021 10 5 EGBERN O=C(N[C@H](C1CC1)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288071234 276180571 /nfs/dbraw/zinc/18/05/71/276180571.db2.gz CUXKXQXBCXOADQ-GFCCVEGCSA-N 0 0 327.262 3.147 10 5 EGBERN CC1CN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407980637 276200349 /nfs/dbraw/zinc/20/03/49/276200349.db2.gz NFKSJFDKSWQXMP-STQMWFEESA-N 0 0 331.416 3.169 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccccc1N(C)C ZINC000288514126 276222304 /nfs/dbraw/zinc/22/23/04/276222304.db2.gz IZHRPTOAHKETMB-UHFFFAOYSA-N 0 0 327.384 3.241 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCc2n[nH]cc2C1 ZINC000289285918 276316290 /nfs/dbraw/zinc/31/62/90/276316290.db2.gz AKVWUNCMGMVEPY-UHFFFAOYSA-N 0 0 327.171 3.183 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000289864990 276408684 /nfs/dbraw/zinc/40/86/84/276408684.db2.gz RGKSOJLWGDCBQI-CQSZACIVSA-N 0 0 343.387 3.090 10 5 EGBERN CCOCc1nc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000290953758 276565299 /nfs/dbraw/zinc/56/52/99/276565299.db2.gz QVLZJLVXOHCQJS-SECBINFHSA-N 0 0 340.767 3.019 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCOC(C)(C)C1 ZINC000291368911 276633902 /nfs/dbraw/zinc/63/39/02/276633902.db2.gz BIZXJIJCNLOXHB-LLVKDONJSA-N 0 0 326.418 3.384 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291390563 276637418 /nfs/dbraw/zinc/63/74/18/276637418.db2.gz CQOKKJWHWYYXTN-NVXWUHKLSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@]12CCN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000291777441 276689679 /nfs/dbraw/zinc/68/96/79/276689679.db2.gz CGTHDBMXSVJKMH-KOLCDFICSA-N 0 0 348.147 3.234 10 5 EGBERN C[C@@]12CCN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000291874678 276702154 /nfs/dbraw/zinc/70/21/54/276702154.db2.gz INQFNEIARZJLHJ-GXSJLCMTSA-N 0 0 348.147 3.234 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cnc(OCC2CC2)cn1 ZINC000292317926 276768532 /nfs/dbraw/zinc/76/85/32/276768532.db2.gz NQSLIBWOCVSXNQ-UHFFFAOYSA-N 0 0 348.746 3.079 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000347845810 277797560 /nfs/dbraw/zinc/79/75/60/277797560.db2.gz KHHHWZQELGFHNL-GXSJLCMTSA-N 0 0 346.305 3.325 10 5 EGBERN CC1(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156226733 278219269 /nfs/dbraw/zinc/21/92/69/278219269.db2.gz MUQNUDULTGWGGX-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922273 278381687 /nfs/dbraw/zinc/38/16/87/278381687.db2.gz WMQHFVJDHXMBCG-PBHICJAKSA-N 0 0 339.395 3.441 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000359854443 278534456 /nfs/dbraw/zinc/53/44/56/278534456.db2.gz KDKQVELVFCWOPO-IUCAKERBSA-N 0 0 326.278 3.315 10 5 EGBERN O=C(C1CCC1)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035515754 279738778 /nfs/dbraw/zinc/73/87/78/279738778.db2.gz HQQNNOGBCVHFFH-KRWDZBQOSA-N 0 0 325.368 3.128 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066711802 279924326 /nfs/dbraw/zinc/92/43/26/279924326.db2.gz MWQRCXKPSKGVRE-GUYCJALGSA-N 0 0 326.352 3.197 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066713446 279924361 /nfs/dbraw/zinc/92/43/61/279924361.db2.gz MBVIPHCLHJEESP-AAEUAGOBSA-N 0 0 332.381 3.259 10 5 EGBERN O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000248830940 280319297 /nfs/dbraw/zinc/31/92/97/280319297.db2.gz LRZROOIDZVERBT-IUPBHXKESA-N 0 0 349.774 3.348 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183086282 281009127 /nfs/dbraw/zinc/00/91/27/281009127.db2.gz XYYGWPPMQOFHBM-ZDUSSCGKSA-N 0 0 344.375 3.089 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000408172630 301204596 /nfs/dbraw/zinc/20/45/96/301204596.db2.gz YWBJRWCCDUMYLA-IBGZPJMESA-N 0 0 339.395 3.285 10 5 EGBERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000265200954 301740207 /nfs/dbraw/zinc/74/02/07/301740207.db2.gz ASPWLUGAHIVWLL-LBPRGKRZSA-N 0 0 336.369 3.022 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nccc(C(F)(F)F)n2)n1 ZINC000413516151 309035315 /nfs/dbraw/zinc/03/53/15/309035315.db2.gz NNLZCIGJZKLUKI-UHFFFAOYSA-N 0 0 327.266 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCOCC3(CC3)C2)nc1-c1ccccc1 ZINC000360182627 304803222 /nfs/dbraw/zinc/80/32/22/304803222.db2.gz UYURQUFMCKGNKT-UHFFFAOYSA-N 0 0 325.368 3.274 10 5 EGBERN CC(C)N(C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000413592517 309038820 /nfs/dbraw/zinc/03/88/20/309038820.db2.gz KHDIVHIRJCHVNZ-JTQLQIEISA-N 0 0 345.321 3.107 10 5 EGBERN COc1cc(N[C@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000413599020 309039001 /nfs/dbraw/zinc/03/90/01/309039001.db2.gz DGHFSABSGQDLNA-AWEZNQCLSA-N 0 0 331.347 3.433 10 5 EGBERN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000706 307361049 /nfs/dbraw/zinc/36/10/49/307361049.db2.gz LAFAITFNNHUFMP-NSHDSACASA-N 0 0 340.426 3.346 10 5 EGBERN COCC(C)(C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000413793705 309048231 /nfs/dbraw/zinc/04/82/31/309048231.db2.gz QLNBKLPYMKEFPV-UHFFFAOYSA-N 0 0 345.193 3.359 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075291594 307398565 /nfs/dbraw/zinc/39/85/65/307398565.db2.gz DHJHCHXVUOKUOC-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN COc1ccc(COc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000122834131 307533435 /nfs/dbraw/zinc/53/34/35/307533435.db2.gz XWTZSRLEDUTNRS-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000126150803 307565080 /nfs/dbraw/zinc/56/50/80/307565080.db2.gz JKMNLSHEHXJXQT-CQSZACIVSA-N 0 0 342.399 3.325 10 5 EGBERN C[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000132542743 307659410 /nfs/dbraw/zinc/65/94/10/307659410.db2.gz RBULNYDXGRDCTO-SNVBAGLBSA-N 0 0 337.173 3.323 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153199836 307767881 /nfs/dbraw/zinc/76/78/81/307767881.db2.gz HPGDVVXJNJPIEO-QGZVFWFLSA-N 0 0 328.343 3.470 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2CCCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000153433790 307773073 /nfs/dbraw/zinc/77/30/73/307773073.db2.gz QXEDSSIBMHCJFI-ZDUSSCGKSA-N 0 0 346.362 3.217 10 5 EGBERN CC[C@@H](NC(=O)NCCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000153830671 307782062 /nfs/dbraw/zinc/78/20/62/307782062.db2.gz AABDANIZBVZJSG-CQSZACIVSA-N 0 0 334.401 3.044 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000292964876 308084786 /nfs/dbraw/zinc/08/47/86/308084786.db2.gz GVMULVCPKRJRRQ-NHYWBVRUSA-N 0 0 340.807 3.228 10 5 EGBERN CC(C)[C@@]1(CO)CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000294134605 308193348 /nfs/dbraw/zinc/19/33/48/308193348.db2.gz QERGHUUKOQNERQ-SFHVURJKSA-N 0 0 329.400 3.378 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294244936 308203076 /nfs/dbraw/zinc/20/30/76/308203076.db2.gz BEMYXXLUXSBXDG-ASLVEYIASA-N 0 0 342.395 3.168 10 5 EGBERN CCOC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000294262876 308204710 /nfs/dbraw/zinc/20/47/10/308204710.db2.gz TWFPWUHNLCPDST-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2ccc(C3CCC3)cn2)c1[N+](=O)[O-] ZINC000294833889 308262302 /nfs/dbraw/zinc/26/23/02/308262302.db2.gz RDCMSXIFGDMTOZ-UHFFFAOYSA-N 0 0 329.360 3.356 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000295708221 308352621 /nfs/dbraw/zinc/35/26/21/308352621.db2.gz FYDZKBRSKXGPBR-TVQRCGJNSA-N 0 0 346.305 3.111 10 5 EGBERN Cc1nc(NCc2ccc(C(=O)OC(C)(C)C)cc2)ncc1[N+](=O)[O-] ZINC000297151978 308504471 /nfs/dbraw/zinc/50/44/71/308504471.db2.gz OHMMICXVZWSBLX-UHFFFAOYSA-N 0 0 344.371 3.261 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000297697042 308556744 /nfs/dbraw/zinc/55/67/44/308556744.db2.gz MKNNPTGCGYZIOQ-LLVKDONJSA-N 0 0 347.346 3.361 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](O)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297963465 308575317 /nfs/dbraw/zinc/57/53/17/308575317.db2.gz NEYAMGOFAOPVCC-HOTGVXAUSA-N 0 0 349.431 3.238 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nc(-c3cccs3)n[nH]2)c(Cl)c1 ZINC000301295605 308695481 /nfs/dbraw/zinc/69/54/81/308695481.db2.gz XKQHPTXPFDIACL-UHFFFAOYSA-N 0 0 336.764 3.102 10 5 EGBERN CCc1cc(NC[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301355368 308697574 /nfs/dbraw/zinc/69/75/74/308697574.db2.gz LRSHNUNMEJDPIX-XJKSGUPXSA-N 0 0 342.399 3.187 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]1O ZINC000301470823 308701505 /nfs/dbraw/zinc/70/15/05/308701505.db2.gz OZBQELWAFBWYKA-WRWORJQWSA-N 0 0 349.265 3.095 10 5 EGBERN C[C@@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301784315 308715237 /nfs/dbraw/zinc/71/52/37/308715237.db2.gz KHSLZQMVGNNKOY-NEPJUHHUSA-N 0 0 326.418 3.237 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NCCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000301790611 308715396 /nfs/dbraw/zinc/71/53/96/308715396.db2.gz YWQUCVZHQBIHSC-UHFFFAOYSA-N 0 0 340.383 3.472 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000301803064 308715853 /nfs/dbraw/zinc/71/58/53/308715853.db2.gz AMKUWIDXTPNSNH-MRXNPFEDSA-N 0 0 327.384 3.015 10 5 EGBERN Cc1cc(NCc2ccnc(O[C@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000301897021 308720402 /nfs/dbraw/zinc/72/04/02/308720402.db2.gz QUIRYPKEQKQTCL-HNNXBMFYSA-N 0 0 329.356 3.078 10 5 EGBERN CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301923749 308721959 /nfs/dbraw/zinc/72/19/59/308721959.db2.gz LVKAEAHYDGSHTP-AWEZNQCLSA-N 0 0 325.372 3.489 10 5 EGBERN COc1cc(Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1OC ZINC000301929056 308721994 /nfs/dbraw/zinc/72/19/94/308721994.db2.gz NRMGUOYQFPXBIM-UHFFFAOYSA-N 0 0 344.371 3.351 10 5 EGBERN C[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000302053894 308727100 /nfs/dbraw/zinc/72/71/00/308727100.db2.gz PUSDPLALTVAUDB-BDJLRTHQSA-N 0 0 334.397 3.115 10 5 EGBERN Cc1cccc(NC2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)c1 ZINC000302058622 308727424 /nfs/dbraw/zinc/72/74/24/308727424.db2.gz RGLJQINAOUSOTE-UHFFFAOYSA-N 0 0 341.411 3.476 10 5 EGBERN CCc1cc(N[C@@H](C)[C@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302721993 308743001 /nfs/dbraw/zinc/74/30/01/308743001.db2.gz PSTZEULZODKRGK-RYUDHWBXSA-N 0 0 330.388 3.450 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000327643591 308771540 /nfs/dbraw/zinc/77/15/40/308771540.db2.gz TWSNNMGLZJTSJP-MRXNPFEDSA-N 0 0 339.395 3.314 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000360816416 308895798 /nfs/dbraw/zinc/89/57/98/308895798.db2.gz NOIFJXKJCKCOBT-JTQLQIEISA-N 0 0 342.330 3.112 10 5 EGBERN Cc1nc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000410586839 308918913 /nfs/dbraw/zinc/91/89/13/308918913.db2.gz GIEGOODRXMXWBT-UHFFFAOYSA-N 0 0 340.383 3.487 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000410706394 308920391 /nfs/dbraw/zinc/92/03/91/308920391.db2.gz UGISJSCBSBZVTQ-MWLCHTKSSA-N 0 0 339.273 3.010 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1COC ZINC000410965624 308923240 /nfs/dbraw/zinc/92/32/40/308923240.db2.gz CHAUDBMBPNBGEQ-CYBMUJFWSA-N 0 0 338.429 3.348 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411531931 308943162 /nfs/dbraw/zinc/94/31/62/308943162.db2.gz YRRIUDRNTZLMPK-MAUKXSAKSA-N 0 0 344.342 3.105 10 5 EGBERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412218215 308975428 /nfs/dbraw/zinc/97/54/28/308975428.db2.gz RGZZDBVAXASOFV-LSDHHAIUSA-N 0 0 345.424 3.246 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412328799 308981116 /nfs/dbraw/zinc/98/11/16/308981116.db2.gz ACIDMKVLOFIJKB-NWDGAFQWSA-N 0 0 328.290 3.157 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000412780727 309002358 /nfs/dbraw/zinc/00/23/58/309002358.db2.gz LSTPKVQTQCBPJW-LBPRGKRZSA-N 0 0 328.372 3.041 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000413141455 309017988 /nfs/dbraw/zinc/01/79/88/309017988.db2.gz MQROZWPDKNNETR-UHFFFAOYSA-N 0 0 342.351 3.421 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413172924 309019644 /nfs/dbraw/zinc/01/96/44/309019644.db2.gz GGHLGKLIBRYYIM-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN COC1([C@@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC1 ZINC000416026741 309155269 /nfs/dbraw/zinc/15/52/69/309155269.db2.gz JQKIGMJBYJTYBQ-SECBINFHSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000416119651 309159425 /nfs/dbraw/zinc/15/94/25/309159425.db2.gz SONPKJBXHQJUTI-KXUCPTDWSA-N 0 0 328.315 3.313 10 5 EGBERN COC1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000416267796 309166769 /nfs/dbraw/zinc/16/67/69/309166769.db2.gz ZWCCRLWYWKZXRX-UHFFFAOYSA-N 0 0 346.305 3.087 10 5 EGBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416622979 309175287 /nfs/dbraw/zinc/17/52/87/309175287.db2.gz XDVTZERATPZTGS-VIFPVBQESA-N 0 0 332.809 3.057 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3[nH]ccc3C3CC3)n2)c1 ZINC000420491932 309288175 /nfs/dbraw/zinc/28/81/75/309288175.db2.gz HOTYGXRAPHRHNA-UHFFFAOYSA-N 0 0 340.339 3.450 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](O)CC23CCC3)c1 ZINC000420994120 309306538 /nfs/dbraw/zinc/30/65/38/309306538.db2.gz BUYGYALKNXBFBM-ZDUSSCGKSA-N 0 0 344.333 3.493 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000421478245 309326336 /nfs/dbraw/zinc/32/63/36/309326336.db2.gz PDZXLFXCRGVCDB-ZNMIVQPWSA-N 0 0 331.416 3.258 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421585431 309330833 /nfs/dbraw/zinc/33/08/33/309330833.db2.gz CQCNAKNBMMFBMS-CWRNSKLLSA-N 0 0 346.452 3.348 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C1CCCCC1 ZINC000421864591 309344149 /nfs/dbraw/zinc/34/41/49/309344149.db2.gz BJSDPXKPUIZWSK-SFHVURJKSA-N 0 0 334.416 3.273 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000422241955 309359062 /nfs/dbraw/zinc/35/90/62/309359062.db2.gz SSCPMAKKDQCSDC-HOCLYGCPSA-N 0 0 347.415 3.226 10 5 EGBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000425142203 309467456 /nfs/dbraw/zinc/46/74/56/309467456.db2.gz PKIOIMBXYPLWBE-ZSBIGDGJSA-N 0 0 329.381 3.247 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430038391 309595350 /nfs/dbraw/zinc/59/53/50/309595350.db2.gz XNKMBMGIVGRTHJ-VIFPVBQESA-N 0 0 344.820 3.143 10 5 EGBERN Cc1ccncc1N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432177591 309654250 /nfs/dbraw/zinc/65/42/50/309654250.db2.gz QGOZHWBKBMCYHH-UHFFFAOYSA-N 0 0 332.791 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000432340333 309658115 /nfs/dbraw/zinc/65/81/15/309658115.db2.gz YJELYWYAMXVUGA-LBPRGKRZSA-N 0 0 338.429 3.165 10 5 EGBERN COC(=O)c1cc(NCC2(CO)CC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000432827104 309669975 /nfs/dbraw/zinc/66/99/75/309669975.db2.gz BNWJCHPJOXBTQK-UHFFFAOYSA-N 0 0 348.399 3.045 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC2CCC3(CC3)CC2)cc([N+](=O)[O-])c1 ZINC000434009608 309702589 /nfs/dbraw/zinc/70/25/89/309702589.db2.gz ALPVSKLRLNFRMW-UHFFFAOYSA-N 0 0 346.383 3.224 10 5 EGBERN COC(=O)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000434958813 309722679 /nfs/dbraw/zinc/72/26/79/309722679.db2.gz HRYLGMFAQXIFPU-CYBMUJFWSA-N 0 0 349.774 3.320 10 5 EGBERN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000435140553 309726353 /nfs/dbraw/zinc/72/63/53/309726353.db2.gz IWWOVNAZRZABCL-WBVHZDCISA-N 0 0 343.383 3.351 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455097116 310344444 /nfs/dbraw/zinc/34/44/44/310344444.db2.gz RWBQBJZXFXSFHC-SMDDNHRTSA-N 0 0 349.412 3.059 10 5 EGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000437116439 309787027 /nfs/dbraw/zinc/78/70/27/309787027.db2.gz LIRZIZJEELQTIU-ZIAGYGMSSA-N 0 0 338.429 3.432 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443763076 309907794 /nfs/dbraw/zinc/90/77/94/309907794.db2.gz YPLCODJJDAOXOT-DOMZBBRYSA-N 0 0 340.445 3.229 10 5 EGBERN Cc1c(Br)c(N2C[C@H](C)O[C@@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000445666144 309945261 /nfs/dbraw/zinc/94/52/61/309945261.db2.gz UULVIIXCVODDFY-HGNGGELXSA-N 0 0 344.209 3.063 10 5 EGBERN CCC(CC)[C@H]1C[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671397 309985438 /nfs/dbraw/zinc/98/54/38/309985438.db2.gz MMRWQRXCDQACJK-MLGOLLRUSA-N 0 0 332.404 3.289 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@@H](OC)C1 ZINC000447799632 309988873 /nfs/dbraw/zinc/98/88/73/309988873.db2.gz KQBZTXYLAZXLPX-PSASIEDQSA-N 0 0 328.752 3.014 10 5 EGBERN C[C@H]1CSCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448314548 310002031 /nfs/dbraw/zinc/00/20/31/310002031.db2.gz PEBVNMVJKBBIGT-QMMMGPOBSA-N 0 0 334.319 3.191 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000450420400 310121473 /nfs/dbraw/zinc/12/14/73/310121473.db2.gz CEOCVPFKHNZUEZ-ZBFHGGJFSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(NC2(Cc3cccc(F)c3)CCOCC2)cn1 ZINC000450545109 310129193 /nfs/dbraw/zinc/12/91/93/310129193.db2.gz UZOIUNJUVQUVFA-UHFFFAOYSA-N 0 0 331.347 3.333 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000450874992 310147135 /nfs/dbraw/zinc/14/71/35/310147135.db2.gz QOTQZFNSXCPFBH-LBPRGKRZSA-N 0 0 331.338 3.224 10 5 EGBERN C[C@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451089176 310159832 /nfs/dbraw/zinc/15/98/32/310159832.db2.gz RCYDJDVTPNWQAT-CMPLNLGQSA-N 0 0 348.371 3.011 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000451094233 310160159 /nfs/dbraw/zinc/16/01/59/310160159.db2.gz DVAKBVZZCMYICE-LBPRGKRZSA-N 0 0 332.278 3.015 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CC[C@@H]3C3CC3)cc2[N+](=O)[O-])CC1 ZINC000452495518 310230127 /nfs/dbraw/zinc/23/01/27/310230127.db2.gz DEBDLTNZWYOCCZ-MRXNPFEDSA-N 0 0 343.427 3.456 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000452585593 310233352 /nfs/dbraw/zinc/23/33/52/310233352.db2.gz JSDISCPJTADSML-OIISXLGYSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC1CCOCC1 ZINC000452599931 310234109 /nfs/dbraw/zinc/23/41/09/310234109.db2.gz WAYIIAPPGAXBRE-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC1CCOCC1 ZINC000452601078 310234130 /nfs/dbraw/zinc/23/41/30/310234130.db2.gz ZUQQBFGUMQNCSM-UHFFFAOYSA-N 0 0 340.807 3.114 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000452809579 310242912 /nfs/dbraw/zinc/24/29/12/310242912.db2.gz CSAJXVZGXYSNDH-WBMJQRKESA-N 0 0 345.399 3.257 10 5 EGBERN COC(=O)CCCCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452856742 310245868 /nfs/dbraw/zinc/24/58/68/310245868.db2.gz QDQFIJYMFWFXRG-OAHLLOKOSA-N 0 0 348.399 3.034 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CCCCCC1 ZINC000453893564 310290288 /nfs/dbraw/zinc/29/02/88/310290288.db2.gz BUANGIFJNJNONF-UHFFFAOYSA-N 0 0 347.415 3.182 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000454383941 310306631 /nfs/dbraw/zinc/30/66/31/310306631.db2.gz ZXAWPIFLURPNNQ-VBQJREDUSA-N 0 0 349.431 3.406 10 5 EGBERN COC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000454944641 310336888 /nfs/dbraw/zinc/33/68/88/310336888.db2.gz RCFYBCVUENZWQL-AWEZNQCLSA-N 0 0 335.404 3.492 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456112744 310389041 /nfs/dbraw/zinc/38/90/41/310389041.db2.gz GSHQPEXOCPTHNA-DTWKUNHWSA-N 0 0 348.325 3.073 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456112746 310389057 /nfs/dbraw/zinc/38/90/57/310389057.db2.gz GSHQPEXOCPTHNA-IUCAKERBSA-N 0 0 348.325 3.073 10 5 EGBERN Cc1cc(=O)[nH]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456191139 310392864 /nfs/dbraw/zinc/39/28/64/310392864.db2.gz QIWXQFQSKSTHIO-UHFFFAOYSA-N 0 0 330.344 3.076 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](OC)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458498634 310506756 /nfs/dbraw/zinc/50/67/56/310506756.db2.gz JKDUDJKRFLYXFN-VBNZEHGJSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000462308845 310598172 /nfs/dbraw/zinc/59/81/72/310598172.db2.gz AQRDYFXBLPOMCF-KOLCDFICSA-N 0 0 346.836 3.366 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000462625792 310602870 /nfs/dbraw/zinc/60/28/70/310602870.db2.gz XYYHCDCNEHAIBW-ZBFHGGJFSA-N 0 0 336.432 3.435 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000464065075 310617288 /nfs/dbraw/zinc/61/72/88/310617288.db2.gz MVJIBMWUULEFGK-HNNXBMFYSA-N 0 0 341.411 3.259 10 5 EGBERN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000466981778 310665299 /nfs/dbraw/zinc/66/52/99/310665299.db2.gz AQMIXCFVTVGIIX-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN CCOC(=O)c1cc(NCCc2ncc(CC)s2)ccc1[N+](=O)[O-] ZINC000467780015 310678003 /nfs/dbraw/zinc/67/80/03/310678003.db2.gz JSIGNLRHDLJFAW-UHFFFAOYSA-N 0 0 349.412 3.445 10 5 EGBERN COc1ccccc1CCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000467800022 310678185 /nfs/dbraw/zinc/67/81/85/310678185.db2.gz RZTHISWYCVMCLZ-UHFFFAOYSA-N 0 0 334.347 3.430 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000479470914 310875720 /nfs/dbraw/zinc/87/57/20/310875720.db2.gz JRDPMHCKGNHQMQ-YEORSEQZSA-N 0 0 334.372 3.080 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000480693205 310899324 /nfs/dbraw/zinc/89/93/24/310899324.db2.gz LDUJHFKUXHIETB-ZDUSSCGKSA-N 0 0 346.408 3.477 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCC(F)(F)C3)cc2N1 ZINC000486896619 311001419 /nfs/dbraw/zinc/00/14/19/311001419.db2.gz LDCGONKBOIXRIF-SNVBAGLBSA-N 0 0 325.315 3.469 10 5 EGBERN CC[C@@H](NC(=O)C(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000487704347 311034626 /nfs/dbraw/zinc/03/46/26/311034626.db2.gz KSHNQWDAWHMGPT-MRXNPFEDSA-N 0 0 326.352 3.353 10 5 EGBERN O=c1c2ccccc2n(Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000487872428 311040840 /nfs/dbraw/zinc/04/08/40/311040840.db2.gz NNLWVUMZXKZVQC-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000488795229 311080549 /nfs/dbraw/zinc/08/05/49/311080549.db2.gz HZFAHRZXQVTVDL-CQSZACIVSA-N 0 0 340.445 3.493 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000489443301 311106090 /nfs/dbraw/zinc/10/60/90/311106090.db2.gz XHWVLQIXKXCQNG-UHFFFAOYSA-N 0 0 335.310 3.036 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497758360 311868180 /nfs/dbraw/zinc/86/81/80/311868180.db2.gz XUUNMAXUMKAFIU-OAHLLOKOSA-N 0 0 347.374 3.430 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000511471818 312161166 /nfs/dbraw/zinc/16/11/66/312161166.db2.gz CQBJEMZFNSCHBM-ZWKOTPCHSA-N 0 0 339.395 3.335 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512153698 312177163 /nfs/dbraw/zinc/17/71/63/312177163.db2.gz KCSAXJRZRZETBN-JTQLQIEISA-N 0 0 332.809 3.201 10 5 EGBERN C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514628028 312235066 /nfs/dbraw/zinc/23/50/66/312235066.db2.gz YRFFNAFWARJXCJ-GHMZBOCLSA-N 0 0 326.343 3.453 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514965963 312257000 /nfs/dbraw/zinc/25/70/00/312257000.db2.gz OALBEJCBLMFYGU-GHMZBOCLSA-N 0 0 326.343 3.453 10 5 EGBERN CC(=O)c1c(C)cc(C)c(Cn2cc([N+](=O)[O-])cc(F)c2=O)c1C ZINC000515176257 312269613 /nfs/dbraw/zinc/26/96/13/312269613.db2.gz FZAPSKDPJUQCAU-UHFFFAOYSA-N 0 0 332.331 3.072 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000519890131 312486237 /nfs/dbraw/zinc/48/62/37/312486237.db2.gz ITOYYZFRFUIVDU-UHFFFAOYSA-N 0 0 334.397 3.427 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000520633025 312514780 /nfs/dbraw/zinc/51/47/80/312514780.db2.gz SEORGMQNPDIXHP-UHFFFAOYSA-N 0 0 342.399 3.126 10 5 EGBERN CNc1ccc(C(=O)N[C@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000525686854 312741450 /nfs/dbraw/zinc/74/14/50/312741450.db2.gz YULMKVLGJSLIOK-LLVKDONJSA-N 0 0 331.372 3.289 10 5 EGBERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000532125856 313758226 /nfs/dbraw/zinc/75/82/26/313758226.db2.gz MJQJIMGSKRYUKB-CYBMUJFWSA-N 0 0 348.399 3.179 10 5 EGBERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532391357 313793319 /nfs/dbraw/zinc/79/33/19/313793319.db2.gz GPQXYNMINBNQNX-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN CC(=O)c1ccccc1OCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535246357 314034178 /nfs/dbraw/zinc/03/41/78/314034178.db2.gz JBLOBHSGOAYROF-UHFFFAOYSA-N 0 0 340.379 3.235 10 5 EGBERN O=C1C[C@H](c2cccc(Nc3ccc([N+](=O)[O-])c4cccnc34)c2)CN1 ZINC000536640689 314133202 /nfs/dbraw/zinc/13/32/02/314133202.db2.gz MZUZWFYREKYFSA-ZDUSSCGKSA-N 0 0 348.362 3.490 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cccc(N(C)C)c2)c1 ZINC000542975145 314596915 /nfs/dbraw/zinc/59/69/15/314596915.db2.gz XSLSUYCGKLGCMD-UHFFFAOYSA-N 0 0 343.383 3.084 10 5 EGBERN Cc1[nH]c2ccccc2c1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546365320 314823982 /nfs/dbraw/zinc/82/39/82/314823982.db2.gz SICPHSTXQOHCJW-UHFFFAOYSA-N 0 0 335.323 3.420 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)nc1 ZINC000547116494 314875275 /nfs/dbraw/zinc/87/52/75/314875275.db2.gz PJYQEUXLRMKIHT-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)C(F)(F)F ZINC000548982068 315066945 /nfs/dbraw/zinc/06/69/45/315066945.db2.gz HCGLTWZNRRCAGC-UHFFFAOYSA-N 0 0 335.282 3.313 10 5 EGBERN COc1cc(NC[C@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000549605113 315098999 /nfs/dbraw/zinc/09/89/99/315098999.db2.gz BUFJAVDEUJSNCK-GFCCVEGCSA-N 0 0 326.368 3.343 10 5 EGBERN C[C@H]1CC[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553328073 315258416 /nfs/dbraw/zinc/25/84/16/315258416.db2.gz CVEDZSYNDOSCIJ-JOYOIKCWSA-N 0 0 334.763 3.005 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000555263342 315376478 /nfs/dbraw/zinc/37/64/78/315376478.db2.gz JFCKIMQWHXCXMD-NJZAAPMLSA-N 0 0 336.779 3.275 10 5 EGBERN C[C@H]1CCC[C@H](C)C1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561692483 315776676 /nfs/dbraw/zinc/77/66/76/315776676.db2.gz GNVRKNKLMXPFNN-UWVGGRQHSA-N 0 0 326.343 3.356 10 5 EGBERN O=[N+]([O-])c1ccc(OCCNCc2ncc(C(F)(F)F)s2)cc1 ZINC000562427711 315832360 /nfs/dbraw/zinc/83/23/60/315832360.db2.gz DRCOSMULMDNHOZ-UHFFFAOYSA-N 0 0 347.318 3.239 10 5 EGBERN CCOc1cc(C[N@H+]2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000563454173 316024818 /nfs/dbraw/zinc/02/48/18/316024818.db2.gz JHZJIWVXQGCUQN-OUCADQQQSA-N 0 0 336.388 3.067 10 5 EGBERN Cc1sc(C(=O)NCCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000564240098 316127829 /nfs/dbraw/zinc/12/78/29/316127829.db2.gz FJSKMIFEHWHACC-UHFFFAOYSA-N 0 0 331.353 3.078 10 5 EGBERN CC[C@@H]1C[C@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564316072 316135146 /nfs/dbraw/zinc/13/51/46/316135146.db2.gz XMXBSIQIJFWNEY-GXTWGEPZSA-N 0 0 344.415 3.449 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N(C)CC(=O)Nc1c(C)cccc1C ZINC000564349631 316141563 /nfs/dbraw/zinc/14/15/63/316141563.db2.gz OLDJEOHZSVGERR-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1nnc(C3CC3)s1)CCCC2 ZINC000564903682 316230024 /nfs/dbraw/zinc/23/00/24/316230024.db2.gz WZKNGHTVIMZYFP-UHFFFAOYSA-N 0 0 331.401 3.210 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000565226416 316295376 /nfs/dbraw/zinc/29/53/76/316295376.db2.gz KYBPJKSMUGUUTJ-KDOFPFPSSA-N 0 0 328.368 3.182 10 5 EGBERN C[C@@H](C(=O)NC[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000568348368 316761390 /nfs/dbraw/zinc/76/13/90/316761390.db2.gz VQODYCDFARYXLA-ACJLOTCBSA-N 0 0 334.416 3.146 10 5 EGBERN C[C@H]1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569405198 316908923 /nfs/dbraw/zinc/90/89/23/316908923.db2.gz WMMUOTWHQSXHDK-QWHCGFSZSA-N 0 0 344.415 3.354 10 5 EGBERN O=C(C[C@H]1C=CCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569847734 316972945 /nfs/dbraw/zinc/97/29/45/316972945.db2.gz HSNNAEUJVCCXOJ-ZDUSSCGKSA-N 0 0 327.384 3.481 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000570882616 317120145 /nfs/dbraw/zinc/12/01/45/317120145.db2.gz HJDPQXMGXCVIPQ-CYBMUJFWSA-N 0 0 345.330 3.168 10 5 EGBERN O=C(Cc1ccc(F)cc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571920067 317266043 /nfs/dbraw/zinc/26/60/43/317266043.db2.gz ODAFGJWGPIJKPM-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN C[C@H]1CCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572557007 317355813 /nfs/dbraw/zinc/35/58/13/317355813.db2.gz DSQYBGIBILYORS-NHYWBVRUSA-N 0 0 330.388 3.106 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000573766978 317525804 /nfs/dbraw/zinc/52/58/04/317525804.db2.gz REERCAMKAJXGJR-QGZVFWFLSA-N 0 0 337.420 3.466 10 5 EGBERN O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000573897797 317539656 /nfs/dbraw/zinc/53/96/56/317539656.db2.gz VDBUQENJPKRLDL-GJZGRUSLSA-N 0 0 325.368 3.446 10 5 EGBERN CCc1noc(C)c1-c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000574187268 317570920 /nfs/dbraw/zinc/57/09/20/317570920.db2.gz ACDKLLDNZUKVTI-UHFFFAOYSA-N 0 0 329.316 3.116 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1COc2ccccc2C1 ZINC000171446815 323235598 /nfs/dbraw/zinc/23/55/98/323235598.db2.gz DCHUYOPYSVLJCJ-WFASDCNBSA-N 0 0 338.363 3.124 10 5 EGBERN Cc1nc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)o1 ZINC000184408319 323657235 /nfs/dbraw/zinc/65/72/35/323657235.db2.gz FZDKYIDXPILKGO-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000193159797 323833413 /nfs/dbraw/zinc/83/34/13/323833413.db2.gz DTKOVVYPWKARDE-NSHDSACASA-N 0 0 345.321 3.198 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c([N+](=O)[O-])cc1F ZINC000351112458 324172243 /nfs/dbraw/zinc/17/22/43/324172243.db2.gz SLGDPYNFRXICNM-DTWKUNHWSA-N 0 0 337.307 3.075 10 5 EGBERN Cc1ccc(-c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)s1 ZINC000351161358 324184428 /nfs/dbraw/zinc/18/44/28/324184428.db2.gz BONKFUJDADTCSV-UHFFFAOYSA-N 0 0 333.373 3.071 10 5 EGBERN Cc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946524 324713520 /nfs/dbraw/zinc/71/35/20/324713520.db2.gz PSXSVDOMVAXQIH-SGMGOOAPSA-N 0 0 349.431 3.380 10 5 EGBERN CCC[C@@H](C)[C@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000577284878 324778700 /nfs/dbraw/zinc/77/87/00/324778700.db2.gz HROYHVUUGQFTQF-SCZZXKLOSA-N 0 0 346.225 3.270 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000578195771 324933716 /nfs/dbraw/zinc/93/37/16/324933716.db2.gz MGYMAUPXSSLQMJ-HNNXBMFYSA-N 0 0 345.355 3.135 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CSc2ccccc2O1 ZINC000579105434 325063067 /nfs/dbraw/zinc/06/30/67/325063067.db2.gz FCUVCQUIBQCWQY-LLVKDONJSA-N 0 0 334.401 3.085 10 5 EGBERN CO[C@@H](C)c1nc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)cs1 ZINC000579354342 325099147 /nfs/dbraw/zinc/09/91/47/325099147.db2.gz YTMLQLWYIBJHQK-JTQLQIEISA-N 0 0 345.380 3.122 10 5 EGBERN Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)o1 ZINC000579438357 325108779 /nfs/dbraw/zinc/10/87/79/325108779.db2.gz FNTCLKGWCJHXDN-UHFFFAOYSA-N 0 0 340.339 3.495 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCN4c5ccccc5C[C@H]4C3)nc2c1 ZINC000579657807 325139570 /nfs/dbraw/zinc/13/95/70/325139570.db2.gz LBWXAQZPABHZSR-HNNXBMFYSA-N 0 0 349.394 3.113 10 5 EGBERN Cc1c(CN(C)c2cc(C)nc3c2cccc3[N+](=O)[O-])cnn1C ZINC000581111465 325330837 /nfs/dbraw/zinc/33/08/37/325330837.db2.gz CBFBYWCKVWUYDT-UHFFFAOYSA-N 0 0 325.372 3.130 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000582020316 325407104 /nfs/dbraw/zinc/40/71/04/325407104.db2.gz CSCKMXOCPKAVKB-SNVBAGLBSA-N 0 0 349.309 3.474 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000582151034 325417427 /nfs/dbraw/zinc/41/74/27/325417427.db2.gz DYCAVUUNQZOKAA-UHFFFAOYSA-N 0 0 331.416 3.354 10 5 EGBERN COC(=O)CCC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000582841915 325474211 /nfs/dbraw/zinc/47/42/11/325474211.db2.gz MDFRZZNBYUBTCP-UHFFFAOYSA-N 0 0 347.415 3.038 10 5 EGBERN O=C(NCCC(F)(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349202765 456912179 /nfs/dbraw/zinc/91/21/79/456912179.db2.gz QTSSNZFTOQHACY-UHFFFAOYSA-N 0 0 330.184 3.296 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189597682 455221526 /nfs/dbraw/zinc/22/15/26/455221526.db2.gz FFRDYQILISSXDC-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000264512656 455227647 /nfs/dbraw/zinc/22/76/47/455227647.db2.gz YEFGKXCBJXQOGO-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1OC1CCC1 ZINC000173068996 455228284 /nfs/dbraw/zinc/22/82/84/455228284.db2.gz NNOJFWGDNQVWIY-UHFFFAOYSA-N 0 0 340.379 3.385 10 5 EGBERN C[C@@]12CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000589992233 459062739 /nfs/dbraw/zinc/06/27/39/459062739.db2.gz YVPKFCMIFYOPMF-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC000616419777 460552033 /nfs/dbraw/zinc/55/20/33/460552033.db2.gz BHDAGYJPLUOAQO-UHFFFAOYSA-N 0 0 338.429 3.307 10 5 EGBERN CCOc1cc(CSCCOC2CCOCC2)ccc1[N+](=O)[O-] ZINC000600652425 460560878 /nfs/dbraw/zinc/56/08/78/460560878.db2.gz SNWDYIBLFILGTE-UHFFFAOYSA-N 0 0 341.429 3.422 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000173446526 455285170 /nfs/dbraw/zinc/28/51/70/455285170.db2.gz ZUPNVYLNCDCSNU-CQSZACIVSA-N 0 0 344.371 3.007 10 5 EGBERN CCc1cc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000190178515 455286126 /nfs/dbraw/zinc/28/61/26/455286126.db2.gz PSPHBOMZPKBDTL-UHFFFAOYSA-N 0 0 341.367 3.351 10 5 EGBERN CC1(C)CCC[C@@]2(C1)NC(=O)N(CCc1ccccc1[N+](=O)[O-])C2=O ZINC000600692661 460570702 /nfs/dbraw/zinc/57/07/02/460570702.db2.gz CQFGTLKIOCZJBC-SFHVURJKSA-N 0 0 345.399 3.028 10 5 EGBERN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccccc1F ZINC000006438372 452944765 /nfs/dbraw/zinc/94/47/65/452944765.db2.gz GWFJBERXFOPIMQ-NTUHNPAUSA-N 0 0 345.717 3.305 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000173759158 455332922 /nfs/dbraw/zinc/33/29/22/455332922.db2.gz RXERWBLNFNJKJD-LBPRGKRZSA-N 0 0 340.383 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(C)c(C)n1 ZINC000007252555 453049308 /nfs/dbraw/zinc/04/93/08/453049308.db2.gz ZDAGTLTVYRQUBP-UHFFFAOYSA-N 0 0 346.412 3.349 10 5 EGBERN CN(C)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000008777013 453232236 /nfs/dbraw/zinc/23/22/36/453232236.db2.gz MIJCEFFXZGDPPZ-NSHDSACASA-N 0 0 345.321 3.075 10 5 EGBERN Cc1csc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166672 455358100 /nfs/dbraw/zinc/35/81/00/455358100.db2.gz CBUAYDGPLGNZAW-WDEREUQCSA-N 0 0 334.401 3.038 10 5 EGBERN CC1CCC(N(C)C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000012789019 453407059 /nfs/dbraw/zinc/40/70/59/453407059.db2.gz PYOHFDHYOWLDRO-VMPITWQZSA-N 0 0 346.383 3.374 10 5 EGBERN COc1ccc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000600776391 460599952 /nfs/dbraw/zinc/59/99/52/460599952.db2.gz PZNCXRBDGPCTLI-AWEZNQCLSA-N 0 0 344.342 3.372 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000014483479 453537642 /nfs/dbraw/zinc/53/76/42/453537642.db2.gz SGUATEYJWXRJKU-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000015584589 453578506 /nfs/dbraw/zinc/57/85/06/453578506.db2.gz LCKMXYPICCSDHU-UHFFFAOYSA-N 0 0 346.314 3.076 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCC12CC2 ZINC000600807191 460610891 /nfs/dbraw/zinc/61/08/91/460610891.db2.gz YHOHNOAJSBTMQY-ZDUSSCGKSA-N 0 0 327.384 3.315 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccncc3)cc2[N+](=O)[O-])C1 ZINC000017585249 453636123 /nfs/dbraw/zinc/63/61/23/453636123.db2.gz OZCDBKACUNDIKD-ZDUSSCGKSA-N 0 0 340.383 3.478 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000022419190 453692058 /nfs/dbraw/zinc/69/20/58/453692058.db2.gz MLYQWHXEUXGZGW-NSHDSACASA-N 0 0 346.412 3.175 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026049047 453791792 /nfs/dbraw/zinc/79/17/92/453791792.db2.gz WILSBBZCXPOMHJ-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000027171213 453812364 /nfs/dbraw/zinc/81/23/64/453812364.db2.gz GGCJTZJQNNHULO-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN O=C(NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000027230639 453813278 /nfs/dbraw/zinc/81/32/78/453813278.db2.gz WPFDSZVPSGMYDM-UHFFFAOYSA-N 0 0 330.218 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000030322227 453835261 /nfs/dbraw/zinc/83/52/61/453835261.db2.gz QJJUBYPKVLDWQD-SNVBAGLBSA-N 0 0 326.399 3.004 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC000066522750 453849320 /nfs/dbraw/zinc/84/93/20/453849320.db2.gz AKGIVHYUMRYRHG-CYBMUJFWSA-N 0 0 342.330 3.491 10 5 EGBERN CC(C)c1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH]1 ZINC000031843461 453855784 /nfs/dbraw/zinc/85/57/84/453855784.db2.gz RFXGUCIAPYDRCQ-UHFFFAOYSA-N 0 0 346.372 3.179 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000075132495 453865527 /nfs/dbraw/zinc/86/55/27/453865527.db2.gz HBBAURUNAVAFBL-OAHLLOKOSA-N 0 0 328.796 3.165 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000053323512 453871001 /nfs/dbraw/zinc/87/10/01/453871001.db2.gz QVSBQVVNNHCPDA-ZDUSSCGKSA-N 0 0 345.424 3.175 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066813879 453876436 /nfs/dbraw/zinc/87/64/36/453876436.db2.gz NFKUIEVBVUQQSZ-OAHLLOKOSA-N 0 0 337.738 3.360 10 5 EGBERN COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000075368706 453886892 /nfs/dbraw/zinc/88/68/92/453886892.db2.gz CLBVGOCNKMGXLV-OAHLLOKOSA-N 0 0 332.331 3.160 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000181790306 455382241 /nfs/dbraw/zinc/38/22/41/455382241.db2.gz LJCHYLKRLTXOOI-PELKAZGASA-N 0 0 347.293 3.303 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000067142268 453906068 /nfs/dbraw/zinc/90/60/68/453906068.db2.gz FQEWMKYRRKUSBK-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000054586419 453936691 /nfs/dbraw/zinc/93/66/91/453936691.db2.gz BXXWRIXEMWVEFC-UHFFFAOYSA-N 0 0 343.383 3.307 10 5 EGBERN COCc1nc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000037553480 453937650 /nfs/dbraw/zinc/93/76/50/453937650.db2.gz WWADHJPEJGUXKA-UHFFFAOYSA-N 0 0 341.323 3.370 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000076061201 453955673 /nfs/dbraw/zinc/95/56/73/453955673.db2.gz PHCJLDLKAWHTSS-OAHLLOKOSA-N 0 0 341.415 3.417 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000076063993 453955916 /nfs/dbraw/zinc/95/59/16/453955916.db2.gz CFYFQVKAHWSYAL-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067812474 453968622 /nfs/dbraw/zinc/96/86/22/453968622.db2.gz IIMIGDFUVWBQSJ-ZWKOTPCHSA-N 0 0 339.395 3.459 10 5 EGBERN Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809521 454011190 /nfs/dbraw/zinc/01/11/90/454011190.db2.gz KYNZCLWVYGLCCE-CYBMUJFWSA-N 0 0 331.372 3.100 10 5 EGBERN COc1ccc2nc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000055798078 454015224 /nfs/dbraw/zinc/01/52/24/454015224.db2.gz VIMUWFPHKNSLLB-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN O=C(CSc1nncc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000042652792 454018526 /nfs/dbraw/zinc/01/85/26/454018526.db2.gz LTMPHBTYEFWUQM-UHFFFAOYSA-N 0 0 340.364 3.269 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000085637073 454035822 /nfs/dbraw/zinc/03/58/22/454035822.db2.gz HIOKINKQAWBKOI-OAHLLOKOSA-N 0 0 343.383 3.457 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 ZINC000056460109 454060076 /nfs/dbraw/zinc/06/00/76/454060076.db2.gz RTXKILFYKOVJPW-KRWDZBQOSA-N 0 0 325.368 3.472 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)C2CCCCC2)s1 ZINC000069126359 454081745 /nfs/dbraw/zinc/08/17/45/454081745.db2.gz FCUUKJYGMRDKFC-UHFFFAOYSA-N 0 0 344.458 3.390 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])c1 ZINC000077357351 454097127 /nfs/dbraw/zinc/09/71/27/454097127.db2.gz CQJBHBIQRFGHDY-OAHLLOKOSA-N 0 0 341.367 3.117 10 5 EGBERN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000044398347 454099833 /nfs/dbraw/zinc/09/98/33/454099833.db2.gz WXOXFUJXZYCXHB-RLFYNMQTSA-N 0 0 336.347 3.304 10 5 EGBERN CSCc1cc(F)ccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000088742360 454118285 /nfs/dbraw/zinc/11/82/85/454118285.db2.gz QAVMZHGBONEZPB-UHFFFAOYSA-N 0 0 349.387 3.308 10 5 EGBERN Cc1ccc(CNc2ncccc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000088743788 454118559 /nfs/dbraw/zinc/11/85/59/454118559.db2.gz NUBAGGXTQUILHH-AWEZNQCLSA-N 0 0 343.383 3.326 10 5 EGBERN Cc1ccc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000089243908 454129341 /nfs/dbraw/zinc/12/93/41/454129341.db2.gz VIJDVOAYCUSIJC-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COC(=O)c1ccc([C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267220 454131922 /nfs/dbraw/zinc/13/19/22/454131922.db2.gz RSMVJNOJEBADPN-NSHDSACASA-N 0 0 330.340 3.094 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000069780360 454144312 /nfs/dbraw/zinc/14/43/12/454144312.db2.gz GRTQBWHYNXTZTN-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000089534654 454160062 /nfs/dbraw/zinc/16/00/62/454160062.db2.gz WKXSIKNMOLLLGK-LLVKDONJSA-N 0 0 343.339 3.175 10 5 EGBERN C[C@@H](CNc1ccncc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000089640888 454171963 /nfs/dbraw/zinc/17/19/63/454171963.db2.gz RQQQGQGIQVEXEK-NSHDSACASA-N 0 0 325.328 3.255 10 5 EGBERN C[C@H](CNc1ccncc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000089640889 454172258 /nfs/dbraw/zinc/17/22/58/454172258.db2.gz RQQQGQGIQVEXEK-LLVKDONJSA-N 0 0 325.328 3.255 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000120085815 454256246 /nfs/dbraw/zinc/25/62/46/454256246.db2.gz OSYKMOAMSZGTDU-ZDUSSCGKSA-N 0 0 344.375 3.089 10 5 EGBERN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000072274395 454280522 /nfs/dbraw/zinc/28/05/22/454280522.db2.gz PWLKPXFXFMGVSV-UHFFFAOYSA-N 0 0 342.277 3.124 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000078670196 454295703 /nfs/dbraw/zinc/29/57/03/454295703.db2.gz HQKULBUFIVDBJB-LLVKDONJSA-N 0 0 336.417 3.489 10 5 EGBERN CCC[C@@]1(C)CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000078690808 454300659 /nfs/dbraw/zinc/30/06/59/454300659.db2.gz XHCOFMGCVRQNBJ-KRWDZBQOSA-N 0 0 330.388 3.009 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090467192 454309595 /nfs/dbraw/zinc/30/95/95/454309595.db2.gz FFZLEBVVKMNMFI-CVEARBPZSA-N 0 0 326.352 3.338 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](COC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090600375 454326160 /nfs/dbraw/zinc/32/61/60/454326160.db2.gz CJSUMIDPHIPCKS-GJZGRUSLSA-N 0 0 347.371 3.326 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047147557 454334554 /nfs/dbraw/zinc/33/45/54/454334554.db2.gz OEPNWTJZVLKXPI-LLVKDONJSA-N 0 0 345.355 3.495 10 5 EGBERN CCC[C@@H](CCO)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090688029 454336658 /nfs/dbraw/zinc/33/66/58/454336658.db2.gz VPGIDZPLZQPWIR-BBRMVZONSA-N 0 0 337.420 3.144 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]2OCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090688080 454336869 /nfs/dbraw/zinc/33/68/69/454336869.db2.gz MFUSGYJDPHVYHQ-BHYGNILZSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(CNc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 ZINC000078953987 454343935 /nfs/dbraw/zinc/34/39/35/454343935.db2.gz XFYGGGRHBNPNEX-AWEZNQCLSA-N 0 0 331.397 3.432 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000062299782 454374025 /nfs/dbraw/zinc/37/40/25/454374025.db2.gz IIMIGDFUVWBQSJ-QZTJIDSGSA-N 0 0 339.395 3.459 10 5 EGBERN O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073360845 454429188 /nfs/dbraw/zinc/42/91/88/454429188.db2.gz OZMBPCOFTKMVTH-UHFFFAOYSA-N 0 0 337.339 3.102 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCc3c2cccc3O)cc(C)c1[N+](=O)[O-] ZINC000091484995 454441987 /nfs/dbraw/zinc/44/19/87/454441987.db2.gz WKNHQQGUBLJNGW-HNNXBMFYSA-N 0 0 342.351 3.495 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091629093 454453496 /nfs/dbraw/zinc/45/34/96/454453496.db2.gz ACMXNHAUZIFSJX-CQSZACIVSA-N 0 0 344.390 3.321 10 5 EGBERN COc1cc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000134050744 454497896 /nfs/dbraw/zinc/49/78/96/454497896.db2.gz RXKDIKYVVDJSSE-NHYWBVRUSA-N 0 0 334.351 3.027 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000102644798 454513903 /nfs/dbraw/zinc/51/39/03/454513903.db2.gz PIDJXROLBAPQIF-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN O=C(NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC000048812862 454517002 /nfs/dbraw/zinc/51/70/02/454517002.db2.gz IHIOPOPFJGSDKD-UHFFFAOYSA-N 0 0 343.108 3.019 10 5 EGBERN Cc1cc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000092254223 454542310 /nfs/dbraw/zinc/54/23/10/454542310.db2.gz OZEWSCWPCQNVGO-UHFFFAOYSA-N 0 0 340.177 3.286 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1CCOC1)c1ccccc1 ZINC000065587662 454597040 /nfs/dbraw/zinc/59/70/40/454597040.db2.gz LDEAZALOTBUVKJ-CQSZACIVSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)c1 ZINC000134860901 454599230 /nfs/dbraw/zinc/59/92/30/454599230.db2.gz RCUORHTUGZGYSJ-CQSZACIVSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)(C)C(=O)N1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000080978536 454664564 /nfs/dbraw/zinc/66/45/64/454664564.db2.gz RLPNDJGSKDYQOC-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000080976624 454664663 /nfs/dbraw/zinc/66/46/63/454664663.db2.gz INFYSDAEWSVNKI-GFCCVEGCSA-N 0 0 339.823 3.442 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000052473171 454676337 /nfs/dbraw/zinc/67/63/37/454676337.db2.gz GBEITENQEKPLLK-VQHVLOKHSA-N 0 0 327.340 3.097 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000176247542 454716908 /nfs/dbraw/zinc/71/69/08/454716908.db2.gz FRVWLDFJBYXCPR-CQSZACIVSA-N 0 0 345.424 3.390 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000106811076 454720325 /nfs/dbraw/zinc/72/03/25/454720325.db2.gz AIRLIGCLOOPSQD-CQSZACIVSA-N 0 0 345.399 3.497 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093683947 454728877 /nfs/dbraw/zinc/72/88/77/454728877.db2.gz UFGZCJAERKCABT-INIZCTEOSA-N 0 0 342.395 3.339 10 5 EGBERN Cc1c(C(=O)N2CCO[C@@H](c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000162076287 454749182 /nfs/dbraw/zinc/74/91/82/454749182.db2.gz XQPGDYUPJAUDGK-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(C2CCOCC2)CC1 ZINC000162171827 454756809 /nfs/dbraw/zinc/75/68/09/454756809.db2.gz IMQIINQMEVCSRP-UHFFFAOYSA-N 0 0 333.388 3.265 10 5 EGBERN CC[C@@H](NC(=O)NCCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000176690749 454772479 /nfs/dbraw/zinc/77/24/79/454772479.db2.gz BZIYBRRTKBTYBA-OAHLLOKOSA-N 0 0 337.420 3.144 10 5 EGBERN COc1ccc(OCCN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153243216 454773643 /nfs/dbraw/zinc/77/36/43/454773643.db2.gz KERBRKYRQKJBBI-UHFFFAOYSA-N 0 0 328.368 3.041 10 5 EGBERN Cc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000153266630 454776281 /nfs/dbraw/zinc/77/62/81/454776281.db2.gz FPYOBAFJMYWINM-UHFFFAOYSA-N 0 0 327.384 3.359 10 5 EGBERN Cc1c(CC(=O)N2CCC(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000162565205 454784103 /nfs/dbraw/zinc/78/41/03/454784103.db2.gz WEOYMVZLPZDFNN-UHFFFAOYSA-N 0 0 346.427 3.111 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1ccnc1 ZINC000125006433 454790029 /nfs/dbraw/zinc/79/00/29/454790029.db2.gz GAIZULGNWOXVLM-XHDPSFHLSA-N 0 0 348.790 3.168 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC1CCN(c2ccccn2)CC1 ZINC000153586241 454809203 /nfs/dbraw/zinc/80/92/03/454809203.db2.gz PYNRYHYLNIJCEH-UHFFFAOYSA-N 0 0 333.779 3.119 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160575865 455476765 /nfs/dbraw/zinc/47/67/65/455476765.db2.gz BDVVTUPKXAYHOB-YJBOKZPZSA-N 0 0 328.368 3.419 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000109263770 454824386 /nfs/dbraw/zinc/82/43/86/454824386.db2.gz UWPBDKIFKGDKTD-QMMMGPOBSA-N 0 0 338.314 3.040 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CCOC1 ZINC000109721309 454834726 /nfs/dbraw/zinc/83/47/26/454834726.db2.gz ZCAIBWIMLGPFAM-CQSZACIVSA-N 0 0 342.351 3.248 10 5 EGBERN CN(C)c1ncc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000125703766 454839960 /nfs/dbraw/zinc/83/99/60/454839960.db2.gz IFISGCUIZIUFMI-UHFFFAOYSA-N 0 0 343.387 3.001 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000146331205 454858284 /nfs/dbraw/zinc/85/82/84/454858284.db2.gz PTQWVYVMMVSNKD-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126281602 454882120 /nfs/dbraw/zinc/88/21/20/454882120.db2.gz BEDAJYJALBOPIA-AWEZNQCLSA-N 0 0 339.395 3.143 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NC3CC=CC3)cc2[N+](=O)[O-])C1 ZINC000154481726 454900893 /nfs/dbraw/zinc/90/08/93/454900893.db2.gz OWGPTNGGCMYDJW-CYBMUJFWSA-N 0 0 329.400 3.280 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177785469 454904659 /nfs/dbraw/zinc/90/46/59/454904659.db2.gz HHSUMUZNZPOHDN-NVXWUHKLSA-N 0 0 326.352 3.166 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccn(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000154728882 454924446 /nfs/dbraw/zinc/92/44/46/454924446.db2.gz YFXOISQVPGABDW-UHFFFAOYSA-N 0 0 331.332 3.427 10 5 EGBERN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182342769 455492711 /nfs/dbraw/zinc/49/27/11/455492711.db2.gz GMNNVNPSMMYJDS-ZBEGNZNMSA-N 0 0 344.342 3.477 10 5 EGBERN COC(=O)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000178786120 454976680 /nfs/dbraw/zinc/97/66/80/454976680.db2.gz UTOAWNRFBBDZDM-UHFFFAOYSA-N 0 0 349.774 3.213 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccn1 ZINC000178826988 454981916 /nfs/dbraw/zinc/98/19/16/454981916.db2.gz YIRFJEUIHDZJNZ-ZDUSSCGKSA-N 0 0 345.424 3.219 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151545877 455000023 /nfs/dbraw/zinc/00/00/23/455000023.db2.gz LDLWBZNZYWQBOP-CQSZACIVSA-N 0 0 326.418 3.079 10 5 EGBERN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000127828679 455002074 /nfs/dbraw/zinc/00/20/74/455002074.db2.gz WAHHRQBSSPPYBV-UHFFFAOYSA-N 0 0 328.368 3.193 10 5 EGBERN Cc1cnc(CCN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000179162542 455015279 /nfs/dbraw/zinc/01/52/79/455015279.db2.gz FMGQIRAFITXQEJ-GFCCVEGCSA-N 0 0 348.428 3.305 10 5 EGBERN C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000151794728 455032121 /nfs/dbraw/zinc/03/21/21/455032121.db2.gz NAZVKEYNNNTZOO-ZDUSSCGKSA-N 0 0 346.408 3.438 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151829974 455035978 /nfs/dbraw/zinc/03/59/78/455035978.db2.gz MTCWDTLWFSFVOL-SJKOYZFVSA-N 0 0 326.352 3.059 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152417856 455116194 /nfs/dbraw/zinc/11/61/94/455116194.db2.gz CGEMQYVWUBFESC-LBPRGKRZSA-N 0 0 345.378 3.040 10 5 EGBERN Cc1c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152435712 455118979 /nfs/dbraw/zinc/11/89/79/455118979.db2.gz RWSUTOAOBSQQLT-CXAGYDPISA-N 0 0 333.388 3.062 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000182897038 455186519 /nfs/dbraw/zinc/18/65/19/455186519.db2.gz VBMHYZBZNIWRAJ-AONBVXOQSA-N 0 0 330.384 3.168 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000172955125 455213465 /nfs/dbraw/zinc/21/34/65/455213465.db2.gz DWQFUNIHDNNZCA-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN CCCC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000183632444 455314820 /nfs/dbraw/zinc/31/48/20/455314820.db2.gz ROHXJSXGFLXFCH-NSHDSACASA-N 0 0 342.417 3.287 10 5 EGBERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000174055593 455355037 /nfs/dbraw/zinc/35/50/37/455355037.db2.gz WHPVSPDRYJQWJE-HUUCEWRRSA-N 0 0 348.790 3.358 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000159535804 455382918 /nfs/dbraw/zinc/38/29/18/455382918.db2.gz RMTCLYTWWXSXHR-UHOFOFEASA-N 0 0 328.755 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)co2)cc1 ZINC000245836575 455384175 /nfs/dbraw/zinc/38/41/75/455384175.db2.gz HDNFQEWTCWLYPY-SJORKVTESA-N 0 0 343.383 3.393 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H](C)[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190885419 455397595 /nfs/dbraw/zinc/39/75/95/455397595.db2.gz VOCYRRZQRCMGIO-APHBMKBZSA-N 0 0 335.404 3.112 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000175618320 455471943 /nfs/dbraw/zinc/47/19/43/455471943.db2.gz APVGLMIYOHDYKZ-UHFFFAOYSA-N 0 0 332.400 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(C)(C)C)cc2)n1 ZINC000191500114 455491132 /nfs/dbraw/zinc/49/11/32/455491132.db2.gz CZOYCZXJDDHHCQ-UHFFFAOYSA-N 0 0 330.388 3.039 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2c(Cl)cccc2Cl)n1 ZINC000191680206 455509553 /nfs/dbraw/zinc/50/95/53/455509553.db2.gz CITWGXWBAABWBW-UHFFFAOYSA-N 0 0 343.170 3.395 10 5 EGBERN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124602 455537481 /nfs/dbraw/zinc/53/74/81/455537481.db2.gz IRPFSHWRSZVQDR-GHMZBOCLSA-N 0 0 334.401 3.119 10 5 EGBERN CCc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1[N+](=O)[O-] ZINC000185380970 455551156 /nfs/dbraw/zinc/55/11/56/455551156.db2.gz WSZCAOWFVIGVQV-INIZCTEOSA-N 0 0 342.351 3.225 10 5 EGBERN Cc1sc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1[N+](=O)[O-] ZINC000185390120 455552930 /nfs/dbraw/zinc/55/29/30/455552930.db2.gz UWRBKJWBTGEMQX-LBPRGKRZSA-N 0 0 334.353 3.033 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185750147 455614598 /nfs/dbraw/zinc/61/45/98/455614598.db2.gz NMKSXLFXMPOYKE-NSHDSACASA-N 0 0 334.351 3.329 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1cccc(Cl)c1F ZINC000186360541 455751950 /nfs/dbraw/zinc/75/19/50/455751950.db2.gz PNINRAPUBFOQIN-MRVPVSSYSA-N 0 0 341.726 3.197 10 5 EGBERN COC[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278111978 455761487 /nfs/dbraw/zinc/76/14/87/455761487.db2.gz KPMWQSUYYHBKNG-CYBMUJFWSA-N 0 0 336.391 3.202 10 5 EGBERN CN(C[C@H]1CCOC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278126034 455764410 /nfs/dbraw/zinc/76/44/10/455764410.db2.gz MEQPVMDDPRQYTO-CYBMUJFWSA-N 0 0 336.391 3.202 10 5 EGBERN Cc1cc(NC(=O)Cc2cncs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000186799922 455838150 /nfs/dbraw/zinc/83/81/50/455838150.db2.gz NJOKGWBARWKFGY-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)NC2CC2)cc1 ZINC000195078605 455918285 /nfs/dbraw/zinc/91/82/85/455918285.db2.gz GBCUMTVMXUIDKY-UHFFFAOYSA-N 0 0 325.368 3.408 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(F)cc21 ZINC000195198120 455932708 /nfs/dbraw/zinc/93/27/08/455932708.db2.gz NUBYGSHAADDDNP-UHFFFAOYSA-N 0 0 325.299 3.418 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261767433 455943330 /nfs/dbraw/zinc/94/33/30/455943330.db2.gz RUAXWBZYSPUNJQ-SFHVURJKSA-N 0 0 329.375 3.189 10 5 EGBERN CCn1cc(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)cn1 ZINC000195501303 455969942 /nfs/dbraw/zinc/96/99/42/455969942.db2.gz PONWNGTWJGRREB-UHFFFAOYSA-N 0 0 332.379 3.330 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(C(C)(C)C)ccc32)n1 ZINC000272589415 456005049 /nfs/dbraw/zinc/00/50/49/456005049.db2.gz QVGPBGLHAMNTAN-UHFFFAOYSA-N 0 0 342.399 3.219 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000217215027 456032360 /nfs/dbraw/zinc/03/23/60/456032360.db2.gz ACDHWJHVRIBNEV-YVEFUNNKSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1c(NC(=O)COCC2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280706297 456035462 /nfs/dbraw/zinc/03/54/62/456035462.db2.gz LXQVRWTUBCJALL-UHFFFAOYSA-N 0 0 343.177 3.031 10 5 EGBERN CCC(=O)c1ccc(N2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000280743245 456043538 /nfs/dbraw/zinc/04/35/38/456043538.db2.gz OPWONCVMOAGJCH-UHFFFAOYSA-N 0 0 328.372 3.295 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC1CCC1)[C@@H](C)CO ZINC000280835535 456062534 /nfs/dbraw/zinc/06/25/34/456062534.db2.gz PSZSOXJEXJMTRV-NSHDSACASA-N 0 0 340.807 3.180 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000301261094 456074136 /nfs/dbraw/zinc/07/41/36/456074136.db2.gz BLPAJLHLVYQOLA-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301275318 456077991 /nfs/dbraw/zinc/07/79/91/456077991.db2.gz RSWYSXJBDMQCEF-GTNSWQLSSA-N 0 0 346.408 3.344 10 5 EGBERN C[C@H]1CCCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301280750 456079991 /nfs/dbraw/zinc/07/99/91/456079991.db2.gz MJGSATUYMNVIEM-JTQLQIEISA-N 0 0 348.371 3.360 10 5 EGBERN Cc1cc(C)c(NC(=O)CN(C)c2ncc(F)cc2[N+](=O)[O-])c(C)c1 ZINC000601103373 460710620 /nfs/dbraw/zinc/71/06/20/460710620.db2.gz VRPHGMHMQDEXRT-UHFFFAOYSA-N 0 0 346.362 3.129 10 5 EGBERN CCOc1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301424095 456112591 /nfs/dbraw/zinc/11/25/91/456112591.db2.gz GLNBCBUNVAYKBG-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN Cc1cc(C(=O)NCCc2cc(C)c(O)c(C)c2)cc([N+](=O)[O-])c1 ZINC000188706241 456118010 /nfs/dbraw/zinc/11/80/10/456118010.db2.gz AGZGFBCTJOKPMZ-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN Cc1nc(N[C@@H]2CCN(c3ncccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000301670736 456180203 /nfs/dbraw/zinc/18/02/03/456180203.db2.gz QIHNWALOQSWVQD-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN COC(=O)c1cc(NC[C@H]2Cc3ccccc3O2)cc(C)c1[N+](=O)[O-] ZINC000301685085 456187263 /nfs/dbraw/zinc/18/72/63/456187263.db2.gz LCNYJMKBTGEWJG-CQSZACIVSA-N 0 0 342.351 3.105 10 5 EGBERN Cc1sc(C(=O)N(C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271241243 456188629 /nfs/dbraw/zinc/18/86/29/456188629.db2.gz OYECFDLYVRWTGW-ZDUSSCGKSA-N 0 0 334.397 3.160 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369397 456216167 /nfs/dbraw/zinc/21/61/67/456216167.db2.gz LOZVAHQITWVDGH-OAHLLOKOSA-N 0 0 348.378 3.203 10 5 EGBERN Cc1cnc([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601126612 460721005 /nfs/dbraw/zinc/72/10/05/460721005.db2.gz WEHTXAQYGZWTFH-ZCFIWIBFSA-N 0 0 335.311 3.285 10 5 EGBERN Cc1cc(N2CCCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000263862885 456247788 /nfs/dbraw/zinc/24/77/88/456247788.db2.gz ABUAOTBGSSTREO-UHFFFAOYSA-N 0 0 332.429 3.072 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC=C(Br)C1 ZINC000281735029 456305897 /nfs/dbraw/zinc/30/58/97/456305897.db2.gz WLXIEOVAPLKPDA-UHFFFAOYSA-N 0 0 327.178 3.230 10 5 EGBERN CCC1(CC)CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[S@]1=O ZINC000302226274 456322053 /nfs/dbraw/zinc/32/20/53/456322053.db2.gz SQBXVPBDJOOWAY-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000340222711 456324040 /nfs/dbraw/zinc/32/40/40/456324040.db2.gz SIUQDKTZHBDPES-BLLLJJGKSA-N 0 0 325.368 3.135 10 5 EGBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000342955806 456336848 /nfs/dbraw/zinc/33/68/48/456336848.db2.gz YVOZOAOTRXHOLZ-FDRIWYBQSA-N 0 0 335.404 3.015 10 5 EGBERN Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302519068 456353230 /nfs/dbraw/zinc/35/32/30/456353230.db2.gz WQHJFJSGJIIFGS-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN Cc1csc([C@@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601141763 460729693 /nfs/dbraw/zinc/72/96/93/460729693.db2.gz GXHDTGSIJCXGQX-LURJTMIESA-N 0 0 349.338 3.328 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cccc(OC(F)F)c1)CC2 ZINC000347785690 456366767 /nfs/dbraw/zinc/36/67/67/456366767.db2.gz NXHQADYFWNABEB-UHFFFAOYSA-N 0 0 335.310 3.150 10 5 EGBERN Cc1cc(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000343048465 456371645 /nfs/dbraw/zinc/37/16/45/456371645.db2.gz CKXPGNISMINOPD-UHFFFAOYSA-N 0 0 331.372 3.161 10 5 EGBERN Cc1ccc(Cl)c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)nc12 ZINC000343051016 456372044 /nfs/dbraw/zinc/37/20/44/456372044.db2.gz RDTVMORDQAZIOB-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN CC(C)(NC(=O)c1cccc2nccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000347837050 456395387 /nfs/dbraw/zinc/39/53/87/456395387.db2.gz ZTRSLHHSRYHJGC-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN COC(=O)[C@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302798163 456403429 /nfs/dbraw/zinc/40/34/29/456403429.db2.gz AXMNZAIPVWHBIA-PWSUYJOCSA-N 0 0 326.780 3.192 10 5 EGBERN C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc2c(c1)OCO2 ZINC000302850192 456417214 /nfs/dbraw/zinc/41/72/14/456417214.db2.gz PPICYFVJCJPBCY-SNVBAGLBSA-N 0 0 327.340 3.465 10 5 EGBERN Cc1ccccc1C[C@H](CO)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302864295 456420528 /nfs/dbraw/zinc/42/05/28/456420528.db2.gz XMOIQFBSPIPFCE-AWEZNQCLSA-N 0 0 341.411 3.134 10 5 EGBERN COc1cccc2c1CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000302868472 456420977 /nfs/dbraw/zinc/42/09/77/456420977.db2.gz XCFYMKHBLBIIDI-UHFFFAOYSA-N 0 0 339.395 3.177 10 5 EGBERN COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347878365 456422661 /nfs/dbraw/zinc/42/26/61/456422661.db2.gz PVTCKUAGMVABAL-SCZZXKLOSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccnc1)C1CC1 ZINC000340390126 456433239 /nfs/dbraw/zinc/43/32/39/456433239.db2.gz IAQYPHYQRPQGEA-GOSISDBHSA-N 0 0 325.368 3.190 10 5 EGBERN CN(Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000337661847 456466088 /nfs/dbraw/zinc/46/60/88/456466088.db2.gz BREBWKNQIRHMAW-UHFFFAOYSA-N 0 0 341.346 3.166 10 5 EGBERN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000337707462 456495101 /nfs/dbraw/zinc/49/51/01/456495101.db2.gz YOJQDDQMSPVEHF-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCCO1 ZINC000276547995 456512689 /nfs/dbraw/zinc/51/26/89/456512689.db2.gz HBZKTBSDFIEGJU-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000322360952 456646622 /nfs/dbraw/zinc/64/66/22/456646622.db2.gz GZSADMLREGOEKO-UHFFFAOYSA-N 0 0 334.759 3.425 10 5 EGBERN COc1c(C)cnc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000299306713 456653436 /nfs/dbraw/zinc/65/34/36/456653436.db2.gz BSSBVKYFIFCJIW-UHFFFAOYSA-N 0 0 349.412 3.257 10 5 EGBERN CC[C@@H](NC(=O)N1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353534209 456739937 /nfs/dbraw/zinc/73/99/37/456739937.db2.gz GWGYGSKFBCDLGV-CVEARBPZSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1cccc(CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000340942766 456775646 /nfs/dbraw/zinc/77/56/46/456775646.db2.gz DHCINSYVNGRDPO-UHFFFAOYSA-N 0 0 334.322 3.383 10 5 EGBERN Cc1c(Br)c(NCCC2(F)CCC2)ncc1[N+](=O)[O-] ZINC000340947693 456778678 /nfs/dbraw/zinc/77/86/78/456778678.db2.gz HZNRFIPLNSIPMN-UHFFFAOYSA-N 0 0 332.173 3.177 10 5 EGBERN Cc1sccc1CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000348632550 456788606 /nfs/dbraw/zinc/78/86/06/456788606.db2.gz AISGFFBUTVUQLK-UHFFFAOYSA-N 0 0 341.392 3.424 10 5 EGBERN Cc1ccccc1[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301074107 456789930 /nfs/dbraw/zinc/78/99/30/456789930.db2.gz GHOZDQQBGAVMRO-NSHDSACASA-N 0 0 327.340 3.407 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)O1 ZINC000283564023 456804498 /nfs/dbraw/zinc/80/44/98/456804498.db2.gz PYQXCTXBSAPBGU-SXMVTHIZSA-N 0 0 343.177 3.109 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277416477 456816730 /nfs/dbraw/zinc/81/67/30/456816730.db2.gz KVQRKDHOMWYSSF-LBPRGKRZSA-N 0 0 345.321 3.121 10 5 EGBERN Cc1noc2nc(C)cc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])c12 ZINC000341287538 456834172 /nfs/dbraw/zinc/83/41/72/456834172.db2.gz MWRAXYUQZRSIPX-SNVBAGLBSA-N 0 0 340.339 3.239 10 5 EGBERN COCc1cc(NCc2csc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000292138696 456865335 /nfs/dbraw/zinc/86/53/35/456865335.db2.gz TYPPZSLSDRNSDH-UHFFFAOYSA-N 0 0 336.369 3.201 10 5 EGBERN Cc1cnn(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000341721134 456914872 /nfs/dbraw/zinc/91/48/72/456914872.db2.gz JXPTWUJQAOPJKL-UHFFFAOYSA-N 0 0 330.388 3.426 10 5 EGBERN CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341723822 456915491 /nfs/dbraw/zinc/91/54/91/456915491.db2.gz WFLIWCOULRFRRP-PELKAZGASA-N 0 0 345.193 3.357 10 5 EGBERN O=C(C[C@@H]1CCCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341737600 456921500 /nfs/dbraw/zinc/92/15/00/456921500.db2.gz OJVRJODMPJKOTC-LBPRGKRZSA-N 0 0 343.177 3.255 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000349330205 456944944 /nfs/dbraw/zinc/94/49/44/456944944.db2.gz ZCBXMWCWNLQASU-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN CO[C@@H](C)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353908236 456961083 /nfs/dbraw/zinc/96/10/83/456961083.db2.gz UHJCGBNDNTYJPI-QWHCGFSZSA-N 0 0 340.445 3.347 10 5 EGBERN C[C@H](C(=O)Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000341829649 456962235 /nfs/dbraw/zinc/96/22/35/456962235.db2.gz XYAFIHIDQWSWOU-JTQLQIEISA-N 0 0 344.346 3.219 10 5 EGBERN COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000345194181 456963010 /nfs/dbraw/zinc/96/30/10/456963010.db2.gz JTSHEFAOEGIBHC-ZDUSSCGKSA-N 0 0 328.368 3.098 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000353934100 456971913 /nfs/dbraw/zinc/97/19/13/456971913.db2.gz WHMKRYLFZXWXHF-QGZVFWFLSA-N 0 0 333.388 3.192 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000356483620 457014811 /nfs/dbraw/zinc/01/48/11/457014811.db2.gz ULIDHGOMGALDHI-SJLPKXTDSA-N 0 0 326.352 3.063 10 5 EGBERN CSCCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358944913 457041049 /nfs/dbraw/zinc/04/10/49/457041049.db2.gz DJEVXZIJPBBWTH-UHFFFAOYSA-N 0 0 334.344 3.069 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@@H]2CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000330424898 457041449 /nfs/dbraw/zinc/04/14/49/457041449.db2.gz FVDROGVOBLILQF-CQSZACIVSA-N 0 0 336.436 3.225 10 5 EGBERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330605546 457060564 /nfs/dbraw/zinc/06/05/64/457060564.db2.gz ZEPCLCUKDHLHDP-BDAKNGLRSA-N 0 0 325.752 3.024 10 5 EGBERN CCOc1cc(NCCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000339360108 457066058 /nfs/dbraw/zinc/06/60/58/457066058.db2.gz IHHVSFCAEVYQQI-UHFFFAOYSA-N 0 0 328.372 3.316 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349870260 457086458 /nfs/dbraw/zinc/08/64/58/457086458.db2.gz BIUNCYQLCRBILO-MRXNPFEDSA-N 0 0 331.441 3.363 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000346646473 457090178 /nfs/dbraw/zinc/09/01/78/457090178.db2.gz DEJKJONGKYKMGA-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000354149959 457094828 /nfs/dbraw/zinc/09/48/28/457094828.db2.gz QXBAQTZLXAFWHP-FUHWJXTLSA-N 0 0 347.415 3.258 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000339624515 457179389 /nfs/dbraw/zinc/17/93/89/457179389.db2.gz WPGJXYQJKZDXMA-UHFFFAOYSA-N 0 0 330.409 3.460 10 5 EGBERN Cc1cn2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2n1 ZINC000346843200 457182815 /nfs/dbraw/zinc/18/28/15/457182815.db2.gz WNTNNYCBVCUISU-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000347216370 457293705 /nfs/dbraw/zinc/29/37/05/457293705.db2.gz MGNSIJQBYVERSX-MRVPVSSYSA-N 0 0 328.166 3.231 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCCCO1 ZINC000351695014 457314467 /nfs/dbraw/zinc/31/44/67/457314467.db2.gz WCMVRTJXHJFVIZ-UHFFFAOYSA-N 0 0 336.391 3.099 10 5 EGBERN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000357225367 457384350 /nfs/dbraw/zinc/38/43/50/457384350.db2.gz UZENQJRKLVMCTD-GFCCVEGCSA-N 0 0 333.344 3.341 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000360876239 457399798 /nfs/dbraw/zinc/39/97/98/457399798.db2.gz ZLVLQGRADCTBDS-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(F)c(F)c1F ZINC000360918635 457432225 /nfs/dbraw/zinc/43/22/25/457432225.db2.gz JYVSPCPOHSRADO-UHFFFAOYSA-N 0 0 346.211 3.472 10 5 EGBERN NC(=O)c1ccnc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000357310066 457436426 /nfs/dbraw/zinc/43/64/26/457436426.db2.gz FQMFCJYEADCJFG-ZDUSSCGKSA-N 0 0 346.774 3.305 10 5 EGBERN O=C(NC[C@@H]1CCCCS1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000342667382 457441599 /nfs/dbraw/zinc/44/15/99/457441599.db2.gz RRUNMSSQPXYRCG-JTQLQIEISA-N 0 0 346.355 3.212 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425136001 457449351 /nfs/dbraw/zinc/44/93/51/457449351.db2.gz HRRBGCXVWIWVEW-QDMKHBRRSA-N 0 0 332.403 3.069 10 5 EGBERN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000342688983 457457846 /nfs/dbraw/zinc/45/78/46/457457846.db2.gz HSLLPJRNAMQZGO-HNNXBMFYSA-N 0 0 327.319 3.064 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccon4)no3)cs2)c1 ZINC000357371385 457477793 /nfs/dbraw/zinc/47/77/93/457477793.db2.gz NNYJOHXGXCRBID-UHFFFAOYSA-N 0 0 341.308 3.423 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000360971246 457478388 /nfs/dbraw/zinc/47/83/88/457478388.db2.gz QZMMFISHLABACG-GXFFZTMASA-N 0 0 330.306 3.327 10 5 EGBERN CC(=O)c1ccc(N[C@H](C)c2nnc3n2CCCCC3)c([N+](=O)[O-])c1 ZINC000369960586 457478609 /nfs/dbraw/zinc/47/86/09/457478609.db2.gz XAXHCVCKAJKPAQ-LLVKDONJSA-N 0 0 343.387 3.288 10 5 EGBERN CCOc1ccc(-c2nc(CCc3ccco3)no2)cc1[N+](=O)[O-] ZINC000357374061 457479278 /nfs/dbraw/zinc/47/92/78/457479278.db2.gz RSMMPIIXVVKHNB-UHFFFAOYSA-N 0 0 329.312 3.422 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ncc(-c2ccccc2)cn1 ZINC000361006353 457505622 /nfs/dbraw/zinc/50/56/22/457505622.db2.gz DGYYFRQZDPZGNN-UHFFFAOYSA-N 0 0 338.371 3.189 10 5 EGBERN CCc1cnccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000347570397 457516327 /nfs/dbraw/zinc/51/63/27/457516327.db2.gz RFXRKBZAOBPNKF-QGZVFWFLSA-N 0 0 343.408 3.440 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](NCc2nnc3n2CCC3)c2ccccc2)c1 ZINC000352700274 457540966 /nfs/dbraw/zinc/54/09/66/457540966.db2.gz BLFAYXVWLANNMZ-IBGZPJMESA-N 0 0 349.394 3.012 10 5 EGBERN Cc1cn2cc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)ccc2n1 ZINC000361048842 457541338 /nfs/dbraw/zinc/54/13/38/457541338.db2.gz BGIHTEPSWRKBHM-UHFFFAOYSA-N 0 0 337.339 3.179 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000347619548 457552598 /nfs/dbraw/zinc/55/25/98/457552598.db2.gz YXRBAIFJYPAYQS-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000357532827 457582754 /nfs/dbraw/zinc/58/27/54/457582754.db2.gz HWPFQBUTUSQRRD-DTWKUNHWSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1CCc1ccccc1 ZINC000364402085 457594116 /nfs/dbraw/zinc/59/41/16/457594116.db2.gz IUSYOTBVUCUSGC-HNNXBMFYSA-N 0 0 325.368 3.227 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OC(C)C)c2)no1 ZINC000356384049 457597379 /nfs/dbraw/zinc/59/73/79/457597379.db2.gz CORLUPSKXMBOJF-UHFFFAOYSA-N 0 0 341.327 3.197 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000374490585 457639429 /nfs/dbraw/zinc/63/94/29/457639429.db2.gz XSMSONZXEXKYIT-CXAGYDPISA-N 0 0 344.342 3.242 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1csc([N+](=O)[O-])c1 ZINC000374498625 457641379 /nfs/dbraw/zinc/64/13/79/457641379.db2.gz WEQARGAKUOCZIU-SWLSCSKDSA-N 0 0 332.381 3.164 10 5 EGBERN COc1cc(C(=O)N2CC[C@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000374522532 457647760 /nfs/dbraw/zinc/64/77/60/457647760.db2.gz QVZICDGLBLQGEZ-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC(c2ccccc2F)C1 ZINC000361230124 457658097 /nfs/dbraw/zinc/65/80/97/457658097.db2.gz TXVZHLLOXTUBRJ-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000374571629 457663272 /nfs/dbraw/zinc/66/32/72/457663272.db2.gz JOADJWHGJVIJBC-UHFFFAOYSA-N 0 0 344.371 3.183 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cc1OC ZINC000361260015 457670606 /nfs/dbraw/zinc/67/06/06/457670606.db2.gz CUQPCYZGWJCTNV-GFCCVEGCSA-N 0 0 331.372 3.359 10 5 EGBERN Cc1ccncc1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000357843157 457708763 /nfs/dbraw/zinc/70/87/63/457708763.db2.gz CELFLPASTSAOGQ-UHFFFAOYSA-N 0 0 340.383 3.145 10 5 EGBERN CNc1c(C(=O)Nc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000361378081 457711691 /nfs/dbraw/zinc/71/16/91/457711691.db2.gz QFOAXRQCXFWOBQ-UHFFFAOYSA-N 0 0 346.290 3.364 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2CCCc3nc(C)sc32)cc1[N+](=O)[O-] ZINC000374858971 457720860 /nfs/dbraw/zinc/72/08/60/457720860.db2.gz VPPXFRPXFCHQBU-GFCCVEGCSA-N 0 0 347.396 3.176 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCc2nc[nH]c2C1 ZINC000370862072 457730142 /nfs/dbraw/zinc/73/01/42/457730142.db2.gz NUYLGSWBJCDVPO-SECBINFHSA-N 0 0 326.278 3.306 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357910061 457731213 /nfs/dbraw/zinc/73/12/13/457731213.db2.gz HMRVKRSNXHORAB-UHFFFAOYSA-N 0 0 348.790 3.266 10 5 EGBERN CC[C@]1(C)CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000443558710 457779738 /nfs/dbraw/zinc/77/97/38/457779738.db2.gz LTVCOYMDBANXBB-CQSZACIVSA-N 0 0 346.305 3.255 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000443890233 457820732 /nfs/dbraw/zinc/82/07/32/457820732.db2.gz VDYANKFWTWYGOS-JTQLQIEISA-N 0 0 348.321 3.499 10 5 EGBERN COc1cc(NC2CCC(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000371190293 457822071 /nfs/dbraw/zinc/82/20/71/457822071.db2.gz KQBQFWIDPULOFD-UHFFFAOYSA-N 0 0 332.360 3.433 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1F ZINC000375211891 457835134 /nfs/dbraw/zinc/83/51/34/457835134.db2.gz REDKIVSSEJZZGZ-CQSZACIVSA-N 0 0 343.358 3.142 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1F ZINC000375211890 457835482 /nfs/dbraw/zinc/83/54/82/457835482.db2.gz REDKIVSSEJZZGZ-AWEZNQCLSA-N 0 0 343.358 3.142 10 5 EGBERN Cc1oc2ccccc2c1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361758420 457840232 /nfs/dbraw/zinc/84/02/32/457840232.db2.gz YSOKFWAEZOGEJD-UHFFFAOYSA-N 0 0 339.351 3.403 10 5 EGBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000366557782 457851012 /nfs/dbraw/zinc/85/10/12/457851012.db2.gz GCAOZRUAEOVKIJ-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000433738177 457875083 /nfs/dbraw/zinc/87/50/83/457875083.db2.gz CCUVDQZARRLPCA-JTQLQIEISA-N 0 0 348.346 3.488 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000433744327 457875911 /nfs/dbraw/zinc/87/59/11/457875911.db2.gz IXGZWGNIXJLQCB-JTQLQIEISA-N 0 0 348.346 3.488 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1cccc(Cl)c1)CC2 ZINC000411484878 457900909 /nfs/dbraw/zinc/90/09/09/457900909.db2.gz ZJWSNSBCUIYAQC-UHFFFAOYSA-N 0 0 333.775 3.080 10 5 EGBERN Cc1noc(C)c1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445183603 458023343 /nfs/dbraw/zinc/02/33/43/458023343.db2.gz NERHDUTYXHEACR-UHFFFAOYSA-N 0 0 347.374 3.216 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000434768884 458047947 /nfs/dbraw/zinc/04/79/47/458047947.db2.gz UNHYDHKBTSNDJM-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN O=C1NCCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434879694 458060454 /nfs/dbraw/zinc/06/04/54/458060454.db2.gz JQUTWEYFTVFETJ-LLVKDONJSA-N 0 0 349.437 3.498 10 5 EGBERN CCCOCc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427987760 458061841 /nfs/dbraw/zinc/06/18/41/458061841.db2.gz BIKJLXICVAHALY-UHFFFAOYSA-N 0 0 340.383 3.432 10 5 EGBERN O=[N+]([O-])c1cc(CSc2nnc(CO)n2-c2ccccc2)cs1 ZINC000428263794 458107704 /nfs/dbraw/zinc/10/77/04/458107704.db2.gz JXYCPLFWCXHEPC-UHFFFAOYSA-N 0 0 348.409 3.022 10 5 EGBERN CN(Cc1cnccn1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348935 458119883 /nfs/dbraw/zinc/11/98/83/458119883.db2.gz OYTFWGQIXWANAL-UHFFFAOYSA-N 0 0 339.330 3.222 10 5 EGBERN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000435401756 458137228 /nfs/dbraw/zinc/13/72/28/458137228.db2.gz LQMVUNWKMNXTES-HOCLYGCPSA-N 0 0 343.383 3.351 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000446488738 458191328 /nfs/dbraw/zinc/19/13/28/458191328.db2.gz QCYGCKBHYGQULX-KGLIPLIRSA-N 0 0 333.388 3.184 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000412402650 458192974 /nfs/dbraw/zinc/19/29/74/458192974.db2.gz RANIDQUGZGZXKK-UHFFFAOYSA-N 0 0 348.790 3.334 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)c1ccc(F)cc1 ZINC000358774225 458208845 /nfs/dbraw/zinc/20/88/45/458208845.db2.gz VWBPXDQVQJSBTC-UHFFFAOYSA-N 0 0 344.342 3.354 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435999056 458234506 /nfs/dbraw/zinc/23/45/06/458234506.db2.gz HKOITWQBLBYSDC-GFCCVEGCSA-N 0 0 340.383 3.034 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000436220631 458271094 /nfs/dbraw/zinc/27/10/94/458271094.db2.gz OCIHDHMRXCNJSH-STQMWFEESA-N 0 0 336.436 3.394 10 5 EGBERN CCOc1cc(CN(C)[C@@H](CC(C)C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000429128725 458276863 /nfs/dbraw/zinc/27/68/63/458276863.db2.gz PQLMYLVLCOYCKN-HNNXBMFYSA-N 0 0 338.404 3.013 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1ccnn1C ZINC000369615129 458289577 /nfs/dbraw/zinc/28/95/77/458289577.db2.gz JQJPIXQZNWNQBW-INIZCTEOSA-N 0 0 330.388 3.064 10 5 EGBERN COc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000362596625 458291138 /nfs/dbraw/zinc/29/11/38/458291138.db2.gz OXJDOWHFRTYEBT-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000376518105 458326820 /nfs/dbraw/zinc/32/68/20/458326820.db2.gz FKPYUDVSOGRTMS-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](C4CCCCC4)C3)nc2c1 ZINC000447693815 458330231 /nfs/dbraw/zinc/33/02/31/458330231.db2.gz OICDKFYQEBZYDL-INIZCTEOSA-N 0 0 330.388 3.257 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](c2nc[nH]n2)c2ccccc2)c2ccncc21 ZINC000376926839 458422694 /nfs/dbraw/zinc/42/26/94/458422694.db2.gz LCGWYQDENMTYGO-QGZVFWFLSA-N 0 0 346.350 3.463 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC12CCCC2 ZINC000430246934 458427482 /nfs/dbraw/zinc/42/74/82/458427482.db2.gz GABBNUHEUQMILC-HZMBPMFUSA-N 0 0 338.791 3.464 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]1C1CC1 ZINC000452500309 458501031 /nfs/dbraw/zinc/50/10/31/458501031.db2.gz OVOVTTFFANJIEB-QGZVFWFLSA-N 0 0 332.403 3.166 10 5 EGBERN Cc1ccccc1SCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460507064 458522026 /nfs/dbraw/zinc/52/20/26/458522026.db2.gz JPINZORKWWVVTE-UHFFFAOYSA-N 0 0 330.409 3.354 10 5 EGBERN CCC(CC)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000469083244 458554007 /nfs/dbraw/zinc/55/40/07/458554007.db2.gz WZPINDUCVLFOJL-UHFFFAOYSA-N 0 0 344.433 3.098 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438384835 458572173 /nfs/dbraw/zinc/57/21/73/458572173.db2.gz XXVNGGGPPDVGAT-TTZDDIAXSA-N 0 0 334.416 3.188 10 5 EGBERN Cc1cc(NC2CCC(C(N)=O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461938472 458580048 /nfs/dbraw/zinc/58/00/48/458580048.db2.gz YCAPOWQCWHAFIJ-UHFFFAOYSA-N 0 0 345.321 3.378 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813651 458611498 /nfs/dbraw/zinc/61/14/98/458611498.db2.gz UWUDBSMCVHJSMG-ZBFHGGJFSA-N 0 0 340.807 3.018 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000438816022 458616965 /nfs/dbraw/zinc/61/69/65/458616965.db2.gz VHGZHVNNHHRPDV-UHFFFAOYSA-N 0 0 329.308 3.033 10 5 EGBERN C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000431829040 458630913 /nfs/dbraw/zinc/63/09/13/458630913.db2.gz UOWHSRMBIWHOLX-NSHDSACASA-N 0 0 341.795 3.157 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438959573 458633875 /nfs/dbraw/zinc/63/38/75/458633875.db2.gz OEHWWCOOHRSCBM-JTQLQIEISA-N 0 0 342.779 3.018 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000462642616 458639596 /nfs/dbraw/zinc/63/95/96/458639596.db2.gz QXGMENHAZRCHKX-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470617512 458640829 /nfs/dbraw/zinc/64/08/29/458640829.db2.gz HVNUZSLLAVPROO-GWCFXTLKSA-N 0 0 330.306 3.327 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456380712 458654524 /nfs/dbraw/zinc/65/45/24/458654524.db2.gz NMGXSJZUCJNUOU-CYBMUJFWSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955506 458668965 /nfs/dbraw/zinc/66/89/65/458668965.db2.gz LWMQWSWZOXYRKE-WDEREUQCSA-N 0 0 345.321 3.114 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000471146486 458680832 /nfs/dbraw/zinc/68/08/32/458680832.db2.gz BAQGJQAATOGZAA-ZDUSSCGKSA-N 0 0 326.352 3.199 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463463880 458702423 /nfs/dbraw/zinc/70/24/23/458702423.db2.gz YCAUZBHEUAFSBJ-CQSZACIVSA-N 0 0 341.411 3.471 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000471682470 458711967 /nfs/dbraw/zinc/71/19/67/458711967.db2.gz ITHFFSZFCIMYLN-JOYOIKCWSA-N 0 0 331.294 3.077 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000439604624 458729452 /nfs/dbraw/zinc/72/94/52/458729452.db2.gz RVIFKNRTSKYHAL-RLFDGXBXSA-N 0 0 341.367 3.059 10 5 EGBERN O=C(NCc1ncccc1F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000530301655 458744208 /nfs/dbraw/zinc/74/42/08/458744208.db2.gz GAKCLLQSQZIVPA-UHFFFAOYSA-N 0 0 347.349 3.145 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439919946 458765850 /nfs/dbraw/zinc/76/58/50/458765850.db2.gz LORLBGANCLJMAT-VXGBXAGGSA-N 0 0 338.791 3.137 10 5 EGBERN O=C(NCCC[C@@H]1CCOC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456780210 458780194 /nfs/dbraw/zinc/78/01/94/458780194.db2.gz VTIWJAALGAKQBL-SNVBAGLBSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000432844596 458799014 /nfs/dbraw/zinc/79/90/14/458799014.db2.gz YEKMWFPHBBYSGV-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN CC(C)(C)OCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548688313 458873136 /nfs/dbraw/zinc/87/31/36/458873136.db2.gz ZPGRLXTYLLTCQF-UHFFFAOYSA-N 0 0 338.407 3.226 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000518798440 458894464 /nfs/dbraw/zinc/89/44/64/458894464.db2.gz NXJRCRZXVVJAST-KBPBESRZSA-N 0 0 327.388 3.017 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](F)C1 ZINC000519175645 458923015 /nfs/dbraw/zinc/92/30/15/458923015.db2.gz XBOQAGXOTQDMKZ-SECBINFHSA-N 0 0 346.156 3.323 10 5 EGBERN O=C(Nc1ccccc1)C1(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475313 458944021 /nfs/dbraw/zinc/94/40/21/458944021.db2.gz XWDYXVKSRQFCAZ-MRXNPFEDSA-N 0 0 337.379 3.343 10 5 EGBERN O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000531627098 458948761 /nfs/dbraw/zinc/94/87/61/458948761.db2.gz YQGMMLYQSLQMMW-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN COc1cc(N(C)CCOc2ccccc2F)c([N+](=O)[O-])cc1F ZINC000467747066 458984199 /nfs/dbraw/zinc/98/41/99/458984199.db2.gz QMWQBOKRDGJYJJ-UHFFFAOYSA-N 0 0 338.310 3.397 10 5 EGBERN COc1cc(N(C)CCOCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000467800906 458987655 /nfs/dbraw/zinc/98/76/55/458987655.db2.gz XMFZXPGWKONZME-UHFFFAOYSA-N 0 0 334.347 3.396 10 5 EGBERN O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531881224 458994169 /nfs/dbraw/zinc/99/41/69/458994169.db2.gz CPPALSMNDWCETE-CVEARBPZSA-N 0 0 325.368 3.446 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)Cc1ccccc1 ZINC000531887987 458994987 /nfs/dbraw/zinc/99/49/87/458994987.db2.gz QXGXOCBGHKBSTC-UHFFFAOYSA-N 0 0 337.335 3.425 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000442535875 459012606 /nfs/dbraw/zinc/01/26/06/459012606.db2.gz AOVAFPWYKVRIES-JTQLQIEISA-N 0 0 334.401 3.369 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442697051 459024763 /nfs/dbraw/zinc/02/47/63/459024763.db2.gz SXMNBMAJRYMDDA-RISCZKNCSA-N 0 0 331.372 3.444 10 5 EGBERN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc2c(C)c1 ZINC000532143558 459036582 /nfs/dbraw/zinc/03/65/82/459036582.db2.gz ONWGHVKOYNYVJL-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000557161774 459052411 /nfs/dbraw/zinc/05/24/11/459052411.db2.gz YVGFNICATBUEPF-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN Nc1cc(N2CCC[C@@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590061521 459074598 /nfs/dbraw/zinc/07/45/98/459074598.db2.gz ZHMZXNRTEFVHFZ-CQSZACIVSA-N 0 0 327.384 3.053 10 5 EGBERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392739 459078780 /nfs/dbraw/zinc/07/87/80/459078780.db2.gz KBZXPPIGUWGZPO-ZDUSSCGKSA-N 0 0 325.368 3.431 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)Nc1ccc([N+](=O)[O-])cc1F ZINC000594523803 459079960 /nfs/dbraw/zinc/07/99/60/459079960.db2.gz DKUWCPXVHBTGDG-LBPRGKRZSA-N 0 0 337.351 3.347 10 5 EGBERN C[C@@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000567297446 459081360 /nfs/dbraw/zinc/08/13/60/459081360.db2.gz IUXUPAWBNCLPEE-MLGOLLRUSA-N 0 0 346.408 3.360 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000594552771 459087893 /nfs/dbraw/zinc/08/78/93/459087893.db2.gz JTCLQGAZFRGJMM-KRWDZBQOSA-N 0 0 335.404 3.174 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000557661989 459096060 /nfs/dbraw/zinc/09/60/60/459096060.db2.gz BDKRYLPLJIYFPC-HDJSIYSDSA-N 0 0 341.367 3.443 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000594581561 459096689 /nfs/dbraw/zinc/09/66/89/459096689.db2.gz DHKWHLUGGWIGFX-CQSZACIVSA-N 0 0 349.406 3.197 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594600531 459104927 /nfs/dbraw/zinc/10/49/27/459104927.db2.gz LZAXQLGSUSJHSY-UWVGGRQHSA-N 0 0 336.314 3.032 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590565377 459149980 /nfs/dbraw/zinc/14/99/80/459149980.db2.gz MHNWTYTVVIKPFU-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN CC(C)(C)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594748080 459150953 /nfs/dbraw/zinc/15/09/53/459150953.db2.gz HZHHVKRDMWWWAS-AWEZNQCLSA-N 0 0 349.412 3.056 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000480056603 459179897 /nfs/dbraw/zinc/17/98/97/459179897.db2.gz GHYUQHKQIFROLA-HNNXBMFYSA-N 0 0 349.431 3.251 10 5 EGBERN C[C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956647 459192023 /nfs/dbraw/zinc/19/20/23/459192023.db2.gz KJZGQLLCSBGQNK-NHYWBVRUSA-N 0 0 339.355 3.242 10 5 EGBERN Cc1cc(F)ccc1[C@@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590736971 459200161 /nfs/dbraw/zinc/20/01/61/459200161.db2.gz QQBSOEZTUZOXAN-KRWDZBQOSA-N 0 0 345.374 3.458 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1C ZINC000590775210 459212771 /nfs/dbraw/zinc/21/27/71/459212771.db2.gz ODJYDHBTQLEZGD-OAHLLOKOSA-N 0 0 327.384 3.262 10 5 EGBERN C[C@H](OCC1CC1)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000590778758 459214168 /nfs/dbraw/zinc/21/41/68/459214168.db2.gz BLBPGXBEUSMVGQ-JTQLQIEISA-N 0 0 344.371 3.491 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cc(C)cc(OCCO)c1 ZINC000595052489 459229256 /nfs/dbraw/zinc/22/92/56/459229256.db2.gz XSWHQUAONURKIX-CYBMUJFWSA-N 0 0 346.383 3.456 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(C)(C)CC ZINC000595109480 459248307 /nfs/dbraw/zinc/24/83/07/459248307.db2.gz UQMWMTZWCLQEQV-LLVKDONJSA-N 0 0 335.404 3.037 10 5 EGBERN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000559349944 459254400 /nfs/dbraw/zinc/25/44/00/459254400.db2.gz VLEIGEYUROQPTI-RKDXNWHRSA-N 0 0 346.168 3.040 10 5 EGBERN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595280108 459266023 /nfs/dbraw/zinc/26/60/23/459266023.db2.gz YKKCFBRHNBNVAD-DOTOQJQBSA-N 0 0 332.400 3.450 10 5 EGBERN COc1cc(N[C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000533820139 459272306 /nfs/dbraw/zinc/27/23/06/459272306.db2.gz SURRYMHZAZIXAT-HNNXBMFYSA-N 0 0 331.347 3.341 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CCO2)c1 ZINC000595353508 459283256 /nfs/dbraw/zinc/28/32/56/459283256.db2.gz QLPGMRTYIXHBND-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN Cc1cscc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568443334 459287368 /nfs/dbraw/zinc/28/73/68/459287368.db2.gz DJCBFVKSKTYNOV-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN COc1ccc(N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C2CC2)cc1 ZINC000523319379 459290299 /nfs/dbraw/zinc/29/02/99/459290299.db2.gz BXDYPOJFCPMJFH-GFCCVEGCSA-N 0 0 343.383 3.387 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCC2(CC2(F)F)CC1 ZINC000595473707 459315338 /nfs/dbraw/zinc/31/53/38/459315338.db2.gz AXKBVHGJSFKILS-UHFFFAOYSA-N 0 0 339.342 3.362 10 5 EGBERN Cc1noc(CN2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1[N+](=O)[O-] ZINC000595476944 459316766 /nfs/dbraw/zinc/31/67/66/459316766.db2.gz QKUKVRJVVWECKS-MRXNPFEDSA-N 0 0 337.326 3.409 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000595541000 459339358 /nfs/dbraw/zinc/33/93/58/459339358.db2.gz BDEPVBJUBNMESG-GHMZBOCLSA-N 0 0 334.401 3.481 10 5 EGBERN Cc1noc(CN2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547864 459343311 /nfs/dbraw/zinc/34/33/11/459343311.db2.gz QEFKJYFFSMVNLE-CYBMUJFWSA-N 0 0 337.326 3.377 10 5 EGBERN CC[C@](C)(C(=O)OC)N(Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551172 459343653 /nfs/dbraw/zinc/34/36/53/459343653.db2.gz WCJJDNXMQUMRRP-QGZVFWFLSA-N 0 0 338.379 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000483444597 459371234 /nfs/dbraw/zinc/37/12/34/459371234.db2.gz VYUNJMOSBKWHPN-LJQANCHMSA-N 0 0 342.395 3.183 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484563900 459419728 /nfs/dbraw/zinc/41/97/28/459419728.db2.gz FBMWTHMBPIEVLZ-KXBFYZLASA-N 0 0 342.395 3.436 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000569308250 459428296 /nfs/dbraw/zinc/42/82/96/459428296.db2.gz LZLATLBXZOQRMU-CABCVRRESA-N 0 0 331.416 3.496 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561264656 459437648 /nfs/dbraw/zinc/43/76/48/459437648.db2.gz WDQXWIWXGBTFTG-LBPRGKRZSA-N 0 0 335.335 3.134 10 5 EGBERN C[C@H](O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395762 459453019 /nfs/dbraw/zinc/45/30/19/459453019.db2.gz PUWVJXNHUHRLPB-LBPRGKRZSA-N 0 0 345.374 3.393 10 5 EGBERN C[C@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561563083 459465362 /nfs/dbraw/zinc/46/53/62/459465362.db2.gz TWNQZVYYKYRKRI-WDEREUQCSA-N 0 0 346.474 3.492 10 5 EGBERN COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000541771146 459490089 /nfs/dbraw/zinc/49/00/89/459490089.db2.gz NEAHBUFRXQRTPI-GOSISDBHSA-N 0 0 340.379 3.176 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](n3cc(Cl)cn3)C1)CCCC2 ZINC000583259492 459509920 /nfs/dbraw/zinc/50/99/20/459509920.db2.gz GKWYBSFJQLZTLX-CYBMUJFWSA-N 0 0 347.806 3.170 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000541937041 459512462 /nfs/dbraw/zinc/51/24/62/459512462.db2.gz FVZZSEDALXKMAO-KPZWWZAWSA-N 0 0 346.383 3.018 10 5 EGBERN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592046211 459516243 /nfs/dbraw/zinc/51/62/43/459516243.db2.gz JUYZMQSBUUTGNL-JTQLQIEISA-N 0 0 329.347 3.420 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000569828243 459518184 /nfs/dbraw/zinc/51/81/84/459518184.db2.gz HEBJGFFRZGLPOO-SFHVURJKSA-N 0 0 343.358 3.375 10 5 EGBERN COc1cc(NCc2nccn2C(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596097186 459520160 /nfs/dbraw/zinc/52/01/60/459520160.db2.gz FXJSWYVAVKBTGJ-UHFFFAOYSA-N 0 0 332.694 3.461 10 5 EGBERN COCC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000562236460 459520919 /nfs/dbraw/zinc/52/09/19/459520919.db2.gz ABFXOLZJDZDOBV-ZDUSSCGKSA-N 0 0 326.393 3.236 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000592131290 459530719 /nfs/dbraw/zinc/53/07/19/459530719.db2.gz WJHYBOPKDGZUGG-IYARVYRRSA-N 0 0 341.411 3.296 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596130855 459531581 /nfs/dbraw/zinc/53/15/81/459531581.db2.gz ZREPKWOARSUSPP-BDAKNGLRSA-N 0 0 344.820 3.365 10 5 EGBERN COc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596153368 459540133 /nfs/dbraw/zinc/54/01/33/459540133.db2.gz USFZTHLKGLSLCC-SECBINFHSA-N 0 0 341.795 3.068 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2(C)CCOCC2)ccc1[N+](=O)[O-] ZINC000596154986 459541405 /nfs/dbraw/zinc/54/14/05/459541405.db2.gz PQJVHAWFRZUTLK-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN COC(=O)CCCSc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596161241 459544042 /nfs/dbraw/zinc/54/40/42/459544042.db2.gz BXRZZFZDIIWRCL-UHFFFAOYSA-N 0 0 347.776 3.080 10 5 EGBERN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000526098788 459548994 /nfs/dbraw/zinc/54/89/94/459548994.db2.gz JNEPIJBMWXYSCA-HUUCEWRRSA-N 0 0 325.368 3.131 10 5 EGBERN CCc1cnc(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)o1 ZINC000596193487 459556152 /nfs/dbraw/zinc/55/61/52/459556152.db2.gz DMAAXQSZAWTWBC-UHFFFAOYSA-N 0 0 339.735 3.197 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596218574 459563379 /nfs/dbraw/zinc/56/33/79/459563379.db2.gz FSOHTWYGDZGZMI-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN CC(C)n1ncnc1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596221351 459564802 /nfs/dbraw/zinc/56/48/02/459564802.db2.gz BEFWZUDEDUXULQ-UHFFFAOYSA-N 0 0 340.181 3.142 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596233599 459569526 /nfs/dbraw/zinc/56/95/26/459569526.db2.gz YBPXGACSYKWRJE-VXNVDRBHSA-N 0 0 330.793 3.198 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCC2(C1)Oc1ccccc1O2 ZINC000596235780 459570102 /nfs/dbraw/zinc/57/01/02/459570102.db2.gz ZWXWHKFZFPEXDK-UHFFFAOYSA-N 0 0 333.731 3.021 10 5 EGBERN Cc1cnc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000562483900 459570769 /nfs/dbraw/zinc/57/07/69/459570769.db2.gz CZMZFSTUFGQBAE-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCc2nc[nH]c2C1 ZINC000596238624 459570987 /nfs/dbraw/zinc/57/09/87/459570987.db2.gz PTXMBUIDVWICIR-QMMMGPOBSA-N 0 0 337.177 3.050 10 5 EGBERN COc1ccc(CCC(C)=O)cc1OCc1onc(C)c1[N+](=O)[O-] ZINC000596271422 459580549 /nfs/dbraw/zinc/58/05/49/459580549.db2.gz ALKVFXQCSHEDOP-UHFFFAOYSA-N 0 0 334.328 3.000 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596290600 459586483 /nfs/dbraw/zinc/58/64/83/459586483.db2.gz OOXNGTDPBRWWPA-MWLCHTKSSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCS[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596293161 459586535 /nfs/dbraw/zinc/58/65/35/459586535.db2.gz TUCVRLHNUVQCRJ-SFYZADRCSA-N 0 0 330.793 3.341 10 5 EGBERN CCC[C@H](C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596290598 459587077 /nfs/dbraw/zinc/58/70/77/459587077.db2.gz OOXNGTDPBRWWPA-GXSJLCMTSA-N 0 0 344.795 3.244 10 5 EGBERN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000596311554 459592353 /nfs/dbraw/zinc/59/23/53/459592353.db2.gz FKIJPFLMSPAMFX-LBPRGKRZSA-N 0 0 340.383 3.098 10 5 EGBERN C/C(=C\c1nc(COC[C@@H]2CCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592418616 459597521 /nfs/dbraw/zinc/59/75/21/459597521.db2.gz ZPESPMRWNGHKBW-YQCJOKCJSA-N 0 0 345.355 3.091 10 5 EGBERN CC[C@H](COCC1CC1)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000596328358 459598048 /nfs/dbraw/zinc/59/80/48/459598048.db2.gz XLGVBHXICLGFOL-OAHLLOKOSA-N 0 0 349.431 3.350 10 5 EGBERN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ncnn21 ZINC000596345065 459602612 /nfs/dbraw/zinc/60/26/12/459602612.db2.gz YZSDPWZINCMJTG-XVKPBYJWSA-N 0 0 327.266 3.323 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccnc2ccccc12 ZINC000596424406 459632336 /nfs/dbraw/zinc/63/23/36/459632336.db2.gz IMAKGNSZCRLYRF-UHFFFAOYSA-N 0 0 325.372 3.322 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596425025 459633449 /nfs/dbraw/zinc/63/34/49/459633449.db2.gz XEPPFJPRBURWLH-SFHVURJKSA-N 0 0 341.411 3.082 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(C3CCC3)CC2)s1 ZINC000596429643 459634167 /nfs/dbraw/zinc/63/41/67/459634167.db2.gz YYXFEIWWZWTANF-UHFFFAOYSA-N 0 0 344.458 3.076 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000592581857 459636436 /nfs/dbraw/zinc/63/64/36/459636436.db2.gz BPVDILCPRDTVLW-LLVKDONJSA-N 0 0 336.388 3.140 10 5 EGBERN CCc1cc(N(CCF)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596445163 459638773 /nfs/dbraw/zinc/63/87/73/459638773.db2.gz BNCNASYAEFSOCW-UHFFFAOYSA-N 0 0 348.378 3.037 10 5 EGBERN CC[C@@H](NC(=O)N1CCO[C@@](C)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451829 459641388 /nfs/dbraw/zinc/64/13/88/459641388.db2.gz CKVIVCHFIWTJQM-SJLPKXTDSA-N 0 0 347.415 3.256 10 5 EGBERN CC[C@@H](NC(=O)NCC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596454127 459641787 /nfs/dbraw/zinc/64/17/87/459641787.db2.gz LVRGQCIGAQPBTI-CRPOECCBSA-N 0 0 349.431 3.286 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596468345 459647349 /nfs/dbraw/zinc/64/73/49/459647349.db2.gz DZSCPRZFNYANEJ-UHFFFAOYSA-N 0 0 337.351 3.014 10 5 EGBERN C[C@@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC000596477961 459649996 /nfs/dbraw/zinc/64/99/96/459649996.db2.gz FQCDWYGDLKJSQR-FZKQIMNGSA-N 0 0 343.358 3.269 10 5 EGBERN C[C@]1(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(F)F ZINC000596475673 459650308 /nfs/dbraw/zinc/65/03/08/459650308.db2.gz KZNVVAMMCUWLQV-AWEZNQCLSA-N 0 0 325.315 3.327 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](CCF)C2)c(Br)c1 ZINC000596481018 459651445 /nfs/dbraw/zinc/65/14/45/459651445.db2.gz RVBNSEMAAFVHAK-VIFPVBQESA-N 0 0 332.173 3.328 10 5 EGBERN Cc1ccnc([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121139 459660315 /nfs/dbraw/zinc/66/03/15/459660315.db2.gz BMFGCNHVDYBWDM-CYBMUJFWSA-N 0 0 337.383 3.164 10 5 EGBERN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000592672312 459661294 /nfs/dbraw/zinc/66/12/94/459661294.db2.gz NJJRXQABHBIHFO-UHFFFAOYSA-N 0 0 344.415 3.244 10 5 EGBERN COC(=O)Cc1ccc(NC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000596513437 459661891 /nfs/dbraw/zinc/66/18/91/459661891.db2.gz WUNYQCPVJRZDIP-LBPRGKRZSA-N 0 0 328.315 3.014 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000592679211 459662860 /nfs/dbraw/zinc/66/28/60/459662860.db2.gz MIUJUFRXOXDHSS-TZMCWYRMSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000573346680 459663897 /nfs/dbraw/zinc/66/38/97/459663897.db2.gz HBWDDZKDYHGZAC-UHFFFAOYSA-N 0 0 343.358 3.020 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000592680601 459664251 /nfs/dbraw/zinc/66/42/51/459664251.db2.gz GYRODEBGBOTNKZ-UHFFFAOYSA-N 0 0 331.397 3.412 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000592680525 459664304 /nfs/dbraw/zinc/66/43/04/459664304.db2.gz FMUKGFCCDIYNSN-UHFFFAOYSA-N 0 0 339.395 3.280 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H](C2CCC2)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000592681963 459664389 /nfs/dbraw/zinc/66/43/89/459664389.db2.gz VZAORQXOGJHVLK-QGZVFWFLSA-N 0 0 348.447 3.273 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592696818 459669029 /nfs/dbraw/zinc/66/90/29/459669029.db2.gz GTFVCWWVHFXTLQ-OTVXOJSOSA-N 0 0 334.416 3.335 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C2CCCCC2)C1 ZINC000543576897 459670565 /nfs/dbraw/zinc/67/05/65/459670565.db2.gz NDHOEOOQKPIFBS-GOSISDBHSA-N 0 0 334.416 3.385 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000596550758 459672983 /nfs/dbraw/zinc/67/29/83/459672983.db2.gz NUUUZPNHTAOUBY-MGCOHNPYSA-N 0 0 332.360 3.002 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCCC(F)(F)C1 ZINC000500291746 459673909 /nfs/dbraw/zinc/67/39/09/459673909.db2.gz KSUCSDITCILTHL-ZETCQYMHSA-N 0 0 336.136 3.164 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)n1 ZINC000596553796 459673965 /nfs/dbraw/zinc/67/39/65/459673965.db2.gz HMSAXVYJAMZWEA-MNOVXSKESA-N 0 0 333.310 3.153 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592732621 459677715 /nfs/dbraw/zinc/67/77/15/459677715.db2.gz ATUMLDYQKSMUMQ-NQBHXWOUSA-N 0 0 338.791 3.322 10 5 EGBERN Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000500498072 459681114 /nfs/dbraw/zinc/68/11/14/459681114.db2.gz MMNLSSHTJITVJA-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN Cc1ccn([C@@H](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)n1 ZINC000596583302 459684886 /nfs/dbraw/zinc/68/48/86/459684886.db2.gz SOVYAFVWOVDWPW-LBPRGKRZSA-N 0 0 327.344 3.262 10 5 EGBERN Cc1ccn([C@H](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)n1 ZINC000596583300 459684962 /nfs/dbraw/zinc/68/49/62/459684962.db2.gz SOVYAFVWOVDWPW-GFCCVEGCSA-N 0 0 327.344 3.262 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](C3CCOCC3)C1)CCCC2 ZINC000584288512 459702191 /nfs/dbraw/zinc/70/21/91/459702191.db2.gz RMIIWRUNRCPQQT-HNNXBMFYSA-N 0 0 331.416 3.122 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592851028 459703602 /nfs/dbraw/zinc/70/36/02/459703602.db2.gz AQPILOSYWVHCMK-CQSZACIVSA-N 0 0 348.321 3.285 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ccon2)CC1 ZINC000596636099 459707209 /nfs/dbraw/zinc/70/72/09/459707209.db2.gz IDZIPUULZXSFSB-UHFFFAOYSA-N 0 0 330.344 3.303 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000592874860 459708328 /nfs/dbraw/zinc/70/83/28/459708328.db2.gz XTUQPDKWTYVLAQ-PHIMTYICSA-N 0 0 331.372 3.152 10 5 EGBERN CCCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCc2ncsc2C1 ZINC000592899833 459715796 /nfs/dbraw/zinc/71/57/96/459715796.db2.gz DLRUBJYGQYYDEK-NSHDSACASA-N 0 0 348.428 3.179 10 5 EGBERN CC(C)(C)c1cnc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)o1 ZINC000563136484 459723175 /nfs/dbraw/zinc/72/31/75/459723175.db2.gz UCCCHGNXAKWFDI-UHFFFAOYSA-N 0 0 327.340 3.244 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593010210 459738957 /nfs/dbraw/zinc/73/89/57/459738957.db2.gz IRUVPRSHXLYLIR-JTQLQIEISA-N 0 0 332.335 3.083 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000593015985 459739793 /nfs/dbraw/zinc/73/97/93/459739793.db2.gz GDIDHWQEHWQKRQ-LBPRGKRZSA-N 0 0 344.367 3.280 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000563222042 459743269 /nfs/dbraw/zinc/74/32/69/459743269.db2.gz HIIRCKBVOXXBLE-UHFFFAOYSA-N 0 0 347.371 3.136 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1[C@H](C)CCC2 ZINC000593030317 459746385 /nfs/dbraw/zinc/74/63/85/459746385.db2.gz KQCMHZMBGRJJRO-VXGBXAGGSA-N 0 0 340.383 3.280 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000593034049 459748436 /nfs/dbraw/zinc/74/84/36/459748436.db2.gz CBYFFRNDWAWRMV-DLBZAZTESA-N 0 0 342.420 3.358 10 5 EGBERN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cscn1 ZINC000596745356 459750398 /nfs/dbraw/zinc/75/03/98/459750398.db2.gz ZQQZUDCMOXOSHV-LLVKDONJSA-N 0 0 346.412 3.487 10 5 EGBERN CC[C@H](C)[C@@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000584487034 459753254 /nfs/dbraw/zinc/75/32/54/459753254.db2.gz HPBQKSAPIQBNDD-FZMZJTMJSA-N 0 0 335.404 3.490 10 5 EGBERN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000596802310 459766439 /nfs/dbraw/zinc/76/64/39/459766439.db2.gz XSKSCGOZVSPUJQ-ZDUSSCGKSA-N 0 0 344.314 3.340 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000596823500 459771400 /nfs/dbraw/zinc/77/14/00/459771400.db2.gz QEOYOHDBTWMICZ-SWLSCSKDSA-N 0 0 335.404 3.087 10 5 EGBERN COC1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000596841719 459776424 /nfs/dbraw/zinc/77/64/24/459776424.db2.gz KKGUVXHBMQLCCF-LLVKDONJSA-N 0 0 342.342 3.367 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000544706196 459779724 /nfs/dbraw/zinc/77/97/24/459779724.db2.gz KGPDYOVURSVQRW-HDJSIYSDSA-N 0 0 346.408 3.128 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cscn1 ZINC000596888915 459788054 /nfs/dbraw/zinc/78/80/54/459788054.db2.gz CJPSNAHXQWIDKE-SECBINFHSA-N 0 0 336.373 3.333 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@H](C)c2cnccn2)c1 ZINC000593193005 459802130 /nfs/dbraw/zinc/80/21/30/459802130.db2.gz MQEVWFHTHFEZFX-SNVBAGLBSA-N 0 0 333.369 3.166 10 5 EGBERN C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CS1 ZINC000584825845 459809114 /nfs/dbraw/zinc/80/91/14/459809114.db2.gz ZUPNGJLNTSAJSW-RYUDHWBXSA-N 0 0 338.432 3.305 10 5 EGBERN C[C@@H](C(=O)Nc1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593215278 459810098 /nfs/dbraw/zinc/81/00/98/459810098.db2.gz FOHFZBKBZZEUFU-LLVKDONJSA-N 0 0 341.367 3.316 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593215948 459810174 /nfs/dbraw/zinc/81/01/74/459810174.db2.gz VDXUIGGSHYXHHQ-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCC2(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597090756 459835390 /nfs/dbraw/zinc/83/53/90/459835390.db2.gz QKYINDOTFRUZBY-CQSZACIVSA-N 0 0 328.372 3.464 10 5 EGBERN CC1(C)[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1(F)F ZINC000597092552 459835866 /nfs/dbraw/zinc/83/58/66/459835866.db2.gz OFESNILUKQVCIT-SECBINFHSA-N 0 0 348.737 3.243 10 5 EGBERN C[C@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099261 459836214 /nfs/dbraw/zinc/83/62/14/459836214.db2.gz XCBLCBIJLQVAGE-RXMQYKEDSA-N 0 0 340.689 3.293 10 5 EGBERN C[C@@H]1CCCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096372 459836484 /nfs/dbraw/zinc/83/64/84/459836484.db2.gz ILCMDCMHZQBJCU-SECBINFHSA-N 0 0 326.784 3.484 10 5 EGBERN C[C@@H]1CSCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096401 459836654 /nfs/dbraw/zinc/83/66/54/459836654.db2.gz JJOITKORYBXTLY-QMMMGPOBSA-N 0 0 344.824 3.047 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593307948 459836943 /nfs/dbraw/zinc/83/69/43/459836943.db2.gz RAXQYJJMENKLHJ-CQSZACIVSA-N 0 0 343.358 3.366 10 5 EGBERN Cc1cc(CNc2cc(Br)cc([N+](=O)[O-])c2)nn1C ZINC000585728984 459838401 /nfs/dbraw/zinc/83/84/01/459838401.db2.gz MCYPKVRPTDUGFF-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@@H](C(=O)N1C[C@@H](C)OCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000593318150 459839434 /nfs/dbraw/zinc/83/94/34/459839434.db2.gz ABHSOHXPZNVYIK-VXGBXAGGSA-N 0 0 336.363 3.007 10 5 EGBERN CCOc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)nc1C ZINC000597127884 459846097 /nfs/dbraw/zinc/84/60/97/459846097.db2.gz ICOCACNZQAFSNP-UHFFFAOYSA-N 0 0 344.371 3.327 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598298047 459852332 /nfs/dbraw/zinc/85/23/32/459852332.db2.gz XGTWCIWLFACXLI-HZPDHXFCSA-N 0 0 346.427 3.380 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C12CCC2 ZINC000598298185 459852997 /nfs/dbraw/zinc/85/29/97/459852997.db2.gz ZBVJVOAPSCGXKA-KGLIPLIRSA-N 0 0 347.415 3.033 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000598298690 459853058 /nfs/dbraw/zinc/85/30/58/459853058.db2.gz MGLBYNBRIRUPPS-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598315156 459861922 /nfs/dbraw/zinc/86/19/22/459861922.db2.gz ZSPGJIIRSCHMOJ-HUUCEWRRSA-N 0 0 332.400 3.451 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593360280 459862761 /nfs/dbraw/zinc/86/27/61/459862761.db2.gz SXEMTKSHKSPQIQ-IINYFYTJSA-N 0 0 342.367 3.333 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598316907 459863157 /nfs/dbraw/zinc/86/31/57/459863157.db2.gz VSTCKIVLWGYYAV-UHFFFAOYSA-N 0 0 348.790 3.179 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NC1CCC2(CC2(F)F)CC1 ZINC000598317813 459864151 /nfs/dbraw/zinc/86/41/51/459864151.db2.gz OGEPGTYFEACWFX-UHFFFAOYSA-N 0 0 339.342 3.091 10 5 EGBERN COc1c(C(=O)NC2CCC3(CC3(F)F)CC2)cccc1[N+](=O)[O-] ZINC000598318048 459864311 /nfs/dbraw/zinc/86/43/11/459864311.db2.gz TVFFMOGMMXSZHV-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN Cc1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c(O)cc1Cl ZINC000598334832 459870057 /nfs/dbraw/zinc/87/00/57/459870057.db2.gz ZKVLXFBEHBLCJG-SNVBAGLBSA-N 0 0 349.774 3.220 10 5 EGBERN CC1(C)[C@@H](CNC(=O)CSc2ccccc2[N+](=O)[O-])C1(F)F ZINC000598340428 459871886 /nfs/dbraw/zinc/87/18/86/459871886.db2.gz KONYULOOJDELIX-LLVKDONJSA-N 0 0 330.356 3.094 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598348071 459874265 /nfs/dbraw/zinc/87/42/65/459874265.db2.gz IIXGOOALOCTXRI-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598349057 459875116 /nfs/dbraw/zinc/87/51/16/459875116.db2.gz KQJXOWZYWQUONP-IAGOWNOFSA-N 0 0 346.358 3.222 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598354922 459877469 /nfs/dbraw/zinc/87/74/69/459877469.db2.gz UDMWFVYMWRZGJQ-GFCCVEGCSA-N 0 0 343.383 3.250 10 5 EGBERN CC(C)[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598381856 459884060 /nfs/dbraw/zinc/88/40/60/459884060.db2.gz QVRLQJSIFBIGSP-INIZCTEOSA-N 0 0 342.399 3.160 10 5 EGBERN CSc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000598399347 459890270 /nfs/dbraw/zinc/89/02/70/459890270.db2.gz JKNVYGRJAJCTRX-UHFFFAOYSA-N 0 0 347.396 3.325 10 5 EGBERN CCC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1ccccn1 ZINC000587877847 459895332 /nfs/dbraw/zinc/89/53/32/459895332.db2.gz KDSMWFSYYDRHCS-CQSZACIVSA-N 0 0 344.371 3.433 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593459443 459895653 /nfs/dbraw/zinc/89/56/53/459895653.db2.gz ZLTMALDGEPUCPT-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN COc1ccc(CC(=O)N[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000609011783 459900051 /nfs/dbraw/zinc/90/00/51/459900051.db2.gz DMEIKLSNAHNVFB-OAHLLOKOSA-N 0 0 344.342 3.089 10 5 EGBERN CC1=CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264892 459900691 /nfs/dbraw/zinc/90/06/91/459900691.db2.gz NQWOUIAIDDOFGP-RDTXWAMCSA-N 0 0 344.415 3.139 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)c(OC(F)F)c1 ZINC000546182987 459902041 /nfs/dbraw/zinc/90/20/41/459902041.db2.gz XFHGHPPADVUHMG-GFCCVEGCSA-N 0 0 338.310 3.384 10 5 EGBERN Cc1cc(N2CCC(C3(O)CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000593482296 459902361 /nfs/dbraw/zinc/90/23/61/459902361.db2.gz QETLLEGMAPTMNX-UHFFFAOYSA-N 0 0 327.384 3.193 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598453329 459902320 /nfs/dbraw/zinc/90/23/20/459902320.db2.gz GGDQSUSPSUJWFD-JTQLQIEISA-N 0 0 346.305 3.159 10 5 EGBERN C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC12CCCCC2 ZINC000588018304 459903299 /nfs/dbraw/zinc/90/32/99/459903299.db2.gz YFVYXZATTBJCOV-ZDUSSCGKSA-N 0 0 333.432 3.466 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(F)(F)C(C)(C)C ZINC000598464658 459904144 /nfs/dbraw/zinc/90/41/44/459904144.db2.gz KZMKJKULSXVVDL-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN CCOc1cc(N2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000588068623 459908427 /nfs/dbraw/zinc/90/84/27/459908427.db2.gz XSQXXXFGLFKBLI-NOZJJQNGSA-N 0 0 334.294 3.150 10 5 EGBERN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCc1ccccc1[N+](=O)[O-] ZINC000597302632 459908979 /nfs/dbraw/zinc/90/89/79/459908979.db2.gz BPLPHEYWCQOIBT-HOCLYGCPSA-N 0 0 338.354 3.469 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC2(F)F)cc1SC ZINC000588180092 459925981 /nfs/dbraw/zinc/92/59/81/459925981.db2.gz HPNWKKXBBMQJGJ-GFCCVEGCSA-N 0 0 346.355 3.243 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598510786 459928114 /nfs/dbraw/zinc/92/81/14/459928114.db2.gz XKVUIDBVAYJPOE-QWRGUYRKSA-N 0 0 346.305 3.085 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000598550784 459934045 /nfs/dbraw/zinc/93/40/45/459934045.db2.gz SBMDREZOUCECSV-UHFFFAOYSA-N 0 0 340.354 3.424 10 5 EGBERN COc1c(C(=O)N2CC3CC2(c2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000598555743 459936396 /nfs/dbraw/zinc/93/63/96/459936396.db2.gz RCTFEQFPBQNVHQ-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598573987 459945265 /nfs/dbraw/zinc/94/52/65/459945265.db2.gz DOGRQRFCCVBLSU-JTQLQIEISA-N 0 0 332.381 3.472 10 5 EGBERN O=C(Cc1ccncc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597419184 459946609 /nfs/dbraw/zinc/94/66/09/459946609.db2.gz ALLIFXXWMKKMON-UHFFFAOYSA-N 0 0 345.786 3.377 10 5 EGBERN CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000598582235 459952650 /nfs/dbraw/zinc/95/26/50/459952650.db2.gz UTMJRKVUQOPOGD-UHFFFAOYSA-N 0 0 348.321 3.459 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614291 459963245 /nfs/dbraw/zinc/96/32/45/459963245.db2.gz CDNVRJJEMXMVMQ-LBPRGKRZSA-N 0 0 338.429 3.165 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593749259 459974508 /nfs/dbraw/zinc/97/45/08/459974508.db2.gz DKJGJJJQPOKNHJ-GFCCVEGCSA-N 0 0 326.352 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000609533079 459976229 /nfs/dbraw/zinc/97/62/29/459976229.db2.gz XLJMLSGBJILNIL-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598654153 459980512 /nfs/dbraw/zinc/98/05/12/459980512.db2.gz NIUFHROZKDWFAW-CMPLNLGQSA-N 0 0 327.331 3.309 10 5 EGBERN CC[C@H]1COC(C)(C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593791634 459987583 /nfs/dbraw/zinc/98/75/83/459987583.db2.gz WJOCRIXUIHUEQN-NSHDSACASA-N 0 0 331.372 3.106 10 5 EGBERN CCOC(=O)c1ccnc(NC2(C(F)F)CCCC2)c1[N+](=O)[O-] ZINC000588860793 459993902 /nfs/dbraw/zinc/99/39/02/459993902.db2.gz AZWJLSUGTAVPRJ-UHFFFAOYSA-N 0 0 329.303 3.156 10 5 EGBERN Cn1c2ccccc2nc1NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588864197 459994413 /nfs/dbraw/zinc/99/44/13/459994413.db2.gz ADACYZLSHLJSSJ-UHFFFAOYSA-N 0 0 335.367 3.039 10 5 EGBERN Cc1occc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588869474 459994627 /nfs/dbraw/zinc/99/46/27/459994627.db2.gz KGQJZOGDKOWDPV-UHFFFAOYSA-N 0 0 342.355 3.019 10 5 EGBERN CCOc1ccc(C(=O)N2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000609646433 460002969 /nfs/dbraw/zinc/00/29/69/460002969.db2.gz PQZSUWHJYZCCEX-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1cccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000609675814 460007788 /nfs/dbraw/zinc/00/77/88/460007788.db2.gz BALBNOBPLHDQPG-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3cncn3C2)cc1[N+](=O)[O-] ZINC000597631109 460012805 /nfs/dbraw/zinc/01/28/05/460012805.db2.gz HZYPKKRTJJUXLP-LBPRGKRZSA-N 0 0 342.399 3.290 10 5 EGBERN Cc1ccc(C(=O)NCC[C@@H]2CCc3ccccc3N2)cc1[N+](=O)[O-] ZINC000593915683 460017077 /nfs/dbraw/zinc/01/70/77/460017077.db2.gz JTTXCQWWVGUWPV-INIZCTEOSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc(F)cc1[N+](=O)[O-] ZINC000593916813 460017344 /nfs/dbraw/zinc/01/73/44/460017344.db2.gz RVFNGPQDQBAPPP-CQSZACIVSA-N 0 0 343.358 3.281 10 5 EGBERN O=C1N[C@@H](C2CCCCCC2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000593953945 460025292 /nfs/dbraw/zinc/02/52/92/460025292.db2.gz LMZXXAGGYLKGKJ-INIZCTEOSA-N 0 0 345.399 3.028 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598780975 460032491 /nfs/dbraw/zinc/03/24/91/460032491.db2.gz VZQKKIAOSUXLEI-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC1(F)F ZINC000598785620 460033818 /nfs/dbraw/zinc/03/38/18/460033818.db2.gz XQUHQUAOHMVRKB-RKDXNWHRSA-N 0 0 348.733 3.177 10 5 EGBERN O=c1c(Cl)c(NCCCC2CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000609894387 460037043 /nfs/dbraw/zinc/03/70/43/460037043.db2.gz XHKGOBNTXWCRAG-UHFFFAOYSA-N 0 0 348.790 3.396 10 5 EGBERN CO[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000597722849 460038271 /nfs/dbraw/zinc/03/82/71/460038271.db2.gz GVEFMRNQWLVRIX-NVXWUHKLSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1c(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000598803203 460041370 /nfs/dbraw/zinc/04/13/70/460041370.db2.gz MJFRYECTHUOCOH-LSDHHAIUSA-N 0 0 326.352 3.272 10 5 EGBERN Cc1ccccc1COCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000598804942 460042671 /nfs/dbraw/zinc/04/26/71/460042671.db2.gz AASBIPCVKNZKKI-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc2n1CCCCC2 ZINC000598804961 460043220 /nfs/dbraw/zinc/04/32/20/460043220.db2.gz AUSQFASYGFANGO-GFCCVEGCSA-N 0 0 340.383 3.109 10 5 EGBERN Cc1cc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598827193 460053833 /nfs/dbraw/zinc/05/38/33/460053833.db2.gz DYKZLAHRVIDPJQ-CVEARBPZSA-N 0 0 326.352 3.272 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598827196 460053968 /nfs/dbraw/zinc/05/39/68/460053968.db2.gz DYKZLAHRVIDPJQ-JKSUJKDBSA-N 0 0 326.352 3.272 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000610086893 460061052 /nfs/dbraw/zinc/06/10/52/460061052.db2.gz FBHXPRNGFLQHMA-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN O=[N+]([O-])c1ccccc1C=CCN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000614247727 460066277 /nfs/dbraw/zinc/06/62/77/460066277.db2.gz LNDNDCXNPLZGKM-XBMZPMPPSA-N 0 0 335.367 3.105 10 5 EGBERN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCCO1 ZINC000594055287 460077315 /nfs/dbraw/zinc/07/73/15/460077315.db2.gz KEQWKTIVYJTYOU-WFASDCNBSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598880681 460081992 /nfs/dbraw/zinc/08/19/92/460081992.db2.gz KKVISGMOEMHMJL-CQSZACIVSA-N 0 0 342.399 3.420 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598882763 460083139 /nfs/dbraw/zinc/08/31/39/460083139.db2.gz JPSMUBMFNVNHII-CQSZACIVSA-N 0 0 342.399 3.339 10 5 EGBERN COC1CC(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597862105 460083938 /nfs/dbraw/zinc/08/39/38/460083938.db2.gz PZDJRXCPFQWFBZ-UHFFFAOYSA-N 0 0 346.305 3.159 10 5 EGBERN COc1ccc(CC(=O)Nc2cncc3c2CCCC3)cc1[N+](=O)[O-] ZINC000597868608 460086425 /nfs/dbraw/zinc/08/64/25/460086425.db2.gz BIJBFEFADZEKRK-UHFFFAOYSA-N 0 0 341.367 3.058 10 5 EGBERN COc1ccc(C(=O)Nc2cncc3c2CCCC3)cc1[N+](=O)[O-] ZINC000597874873 460091034 /nfs/dbraw/zinc/09/10/34/460091034.db2.gz SAZXWXCDWYRZMJ-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000610236653 460092677 /nfs/dbraw/zinc/09/26/77/460092677.db2.gz LSXWSIGFZKMWEY-ZBCRRDGASA-N 0 0 349.431 3.133 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594081568 460093149 /nfs/dbraw/zinc/09/31/49/460093149.db2.gz RFCITJLWZLTXJY-HZPDHXFCSA-N 0 0 349.387 3.073 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000589495137 460094944 /nfs/dbraw/zinc/09/49/44/460094944.db2.gz AOKFKDAEZBVKRJ-QGZVFWFLSA-N 0 0 343.383 3.057 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccccn2)C(C)C)c1 ZINC000589497361 460095233 /nfs/dbraw/zinc/09/52/33/460095233.db2.gz PVHPIGXGXXATJS-UHFFFAOYSA-N 0 0 343.383 3.187 10 5 EGBERN COc1cc(N2CCc3nc(C(C)C)ncc3C2)c(F)cc1[N+](=O)[O-] ZINC000598938469 460095310 /nfs/dbraw/zinc/09/53/10/460095310.db2.gz APPFEDMBPAJDCS-UHFFFAOYSA-N 0 0 346.362 3.219 10 5 EGBERN CC[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943372 460097244 /nfs/dbraw/zinc/09/72/44/460097244.db2.gz SOCJYAFAHRERNH-ROUUACIJSA-N 0 0 339.395 3.349 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cc(F)c(F)cc32)c1 ZINC000589511034 460097431 /nfs/dbraw/zinc/09/74/31/460097431.db2.gz UZIBKUFBGGXAJI-UHFFFAOYSA-N 0 0 348.305 3.222 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H]2CCc3cccnc32)c(Br)c1 ZINC000598947045 460099748 /nfs/dbraw/zinc/09/97/48/460099748.db2.gz XHESXXJKVZCCBC-JTQLQIEISA-N 0 0 349.188 3.289 10 5 EGBERN CCOc1cc(CNCc2ccccc2[N+](=O)[O-])c(F)cc1OC ZINC000598954782 460101541 /nfs/dbraw/zinc/10/15/41/460101541.db2.gz IFUIHAISEHCDGQ-UHFFFAOYSA-N 0 0 334.347 3.431 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597919761 460111485 /nfs/dbraw/zinc/11/14/85/460111485.db2.gz PWJRSRJRBKRXDR-CYBMUJFWSA-N 0 0 338.429 3.008 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594135771 460120497 /nfs/dbraw/zinc/12/04/97/460120497.db2.gz GOWKOUPMBZNZOE-ZDUSSCGKSA-N 0 0 347.415 3.186 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594137969 460121547 /nfs/dbraw/zinc/12/15/47/460121547.db2.gz BMNPPQYGDPZUKT-MQMHXKEQSA-N 0 0 345.399 3.081 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597951361 460124992 /nfs/dbraw/zinc/12/49/92/460124992.db2.gz IRVQGKSBBNQQKJ-SNVBAGLBSA-N 0 0 331.372 3.403 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594178996 460138821 /nfs/dbraw/zinc/13/88/21/460138821.db2.gz FQAPKMRRQZIKCS-KGLIPLIRSA-N 0 0 326.780 3.326 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594206036 460151300 /nfs/dbraw/zinc/15/13/00/460151300.db2.gz HVHZULBGRMBUJD-AWEZNQCLSA-N 0 0 338.791 3.470 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000599083836 460155168 /nfs/dbraw/zinc/15/51/68/460155168.db2.gz YANKPLGHFDMGJC-ZDUSSCGKSA-N 0 0 343.774 3.444 10 5 EGBERN C[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599102598 460161823 /nfs/dbraw/zinc/16/18/23/460161823.db2.gz NDRAWCOWWCVXLR-SMDDNHRTSA-N 0 0 344.342 3.162 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)c1 ZINC000599099677 460162214 /nfs/dbraw/zinc/16/22/14/460162214.db2.gz JDEAPZHZSSUDSZ-NSHDSACASA-N 0 0 341.396 3.297 10 5 EGBERN CC[C@@H](NC(=O)N(C)[C@H](C)c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000594237078 460164080 /nfs/dbraw/zinc/16/40/80/460164080.db2.gz ZSPHESULLGDBQC-QMTHXVAHSA-N 0 0 347.375 3.140 10 5 EGBERN CCOc1cc(NCc2ccc(CC(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000599127043 460168648 /nfs/dbraw/zinc/16/86/48/460168648.db2.gz SETQQCQAPKVWJQ-UHFFFAOYSA-N 0 0 344.367 3.321 10 5 EGBERN CC1(C)C[C@@H](Sc2ncc(Br)cc2[N+](=O)[O-])CO1 ZINC000599125757 460168939 /nfs/dbraw/zinc/16/89/39/460168939.db2.gz QTRWVIJVSLMUGR-MRVPVSSYSA-N 0 0 333.207 3.412 10 5 EGBERN CNC(=O)c1ccc(N[C@H](c2ccccn2)C2CCC2)c([N+](=O)[O-])c1 ZINC000599138520 460172402 /nfs/dbraw/zinc/17/24/02/460172402.db2.gz DUXPBGAEGKXRMH-KRWDZBQOSA-N 0 0 340.383 3.303 10 5 EGBERN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000610516929 460173506 /nfs/dbraw/zinc/17/35/06/460173506.db2.gz KMYUBCFYHHCJHY-VIFPVBQESA-N 0 0 337.177 3.363 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000598100889 460174075 /nfs/dbraw/zinc/17/40/75/460174075.db2.gz KKJKUNWCOSJMNF-MEDUHNTESA-N 0 0 326.352 3.062 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598100078 460174184 /nfs/dbraw/zinc/17/41/84/460174184.db2.gz HRXJZRBYOWEQPF-SCLBCKFNSA-N 0 0 349.390 3.394 10 5 EGBERN CCOc1cccc(NC[C@H]2c3ccccc3C(=O)N2C)c1[N+](=O)[O-] ZINC000599163257 460182168 /nfs/dbraw/zinc/18/21/68/460182168.db2.gz FIXJYJVIYQNVLX-HNNXBMFYSA-N 0 0 341.367 3.232 10 5 EGBERN CNC(=O)c1ccc(NCC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599185395 460192307 /nfs/dbraw/zinc/19/23/07/460192307.db2.gz SKJHVBRNDKKPEK-UHFFFAOYSA-N 0 0 345.321 3.489 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000599199527 460197695 /nfs/dbraw/zinc/19/76/95/460197695.db2.gz IALTUGYKOQXNCY-QAVQXKDTSA-N 0 0 328.372 3.426 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599202684 460198251 /nfs/dbraw/zinc/19/82/51/460198251.db2.gz ONUFAXHSANKTPP-SEQRPAEDSA-N 0 0 335.404 3.157 10 5 EGBERN CC1(c2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)CCCC1 ZINC000599205564 460198576 /nfs/dbraw/zinc/19/85/76/460198576.db2.gz JCVSECRWICMDIH-UHFFFAOYSA-N 0 0 340.343 3.057 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000598212178 460206172 /nfs/dbraw/zinc/20/61/72/460206172.db2.gz JGTKBXJLGRKHAU-TVQRCGJNSA-N 0 0 346.305 3.301 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594399998 460206334 /nfs/dbraw/zinc/20/63/34/460206334.db2.gz VSPFQBJQEDYUKW-IAGOWNOFSA-N 0 0 343.383 3.154 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCC(F)(F)CC1 ZINC000594408086 460209143 /nfs/dbraw/zinc/20/91/43/460209143.db2.gz BAMFAPBRWUKIJZ-QMMMGPOBSA-N 0 0 345.321 3.260 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCCO1 ZINC000594410555 460209153 /nfs/dbraw/zinc/20/91/53/460209153.db2.gz JKIBUNITFIVBEB-GDBMZVCRSA-N 0 0 331.372 3.154 10 5 EGBERN CC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594411060 460210471 /nfs/dbraw/zinc/21/04/71/460210471.db2.gz ODKWFRSUVRONAB-IAGOWNOFSA-N 0 0 349.431 3.251 10 5 EGBERN C[C@]1(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1(F)F ZINC000598221695 460211105 /nfs/dbraw/zinc/21/11/05/460211105.db2.gz VURVGSSACKRXNA-HNNXBMFYSA-N 0 0 335.310 3.308 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCOC2 ZINC000598227417 460214169 /nfs/dbraw/zinc/21/41/69/460214169.db2.gz QZQDOWKDFVMSIY-UHFFFAOYSA-N 0 0 341.367 3.108 10 5 EGBERN CCn1cc([C@@H]2CSCCN2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901193 460214678 /nfs/dbraw/zinc/21/46/78/460214678.db2.gz ONEFTKDVZWCYAU-KRWDZBQOSA-N 0 0 346.456 3.410 10 5 EGBERN COc1cccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000598233754 460216972 /nfs/dbraw/zinc/21/69/72/460216972.db2.gz BQTDMOOOALDUTK-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN CNc1ccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000598235758 460217860 /nfs/dbraw/zinc/21/78/60/460217860.db2.gz VODLIPUXDNMLKY-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN COc1cc(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1F ZINC000610715042 460223937 /nfs/dbraw/zinc/22/39/37/460223937.db2.gz FWQNNFJSLWCWLC-QMMMGPOBSA-N 0 0 346.318 3.498 10 5 EGBERN COC(=O)c1ccc(OCC(=O)C2CCCCCC2)cc1[N+](=O)[O-] ZINC000618963710 460235055 /nfs/dbraw/zinc/23/50/55/460235055.db2.gz XJDGKUUJMHQXDD-UHFFFAOYSA-N 0 0 335.356 3.300 10 5 EGBERN Cc1ccc2sc(CN3CCc4ncc([N+](=O)[O-])cc4C3)nc2c1 ZINC000599354442 460236493 /nfs/dbraw/zinc/23/64/93/460236493.db2.gz VVSVOCUFSCHYDT-UHFFFAOYSA-N 0 0 340.408 3.466 10 5 EGBERN CC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000610811238 460241207 /nfs/dbraw/zinc/24/12/07/460241207.db2.gz ZRTRONNYRWLOHK-HNNXBMFYSA-N 0 0 342.399 3.088 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599527488 460268397 /nfs/dbraw/zinc/26/83/97/460268397.db2.gz BFXHFWCVLFVJEC-QAVQXKDTSA-N 0 0 342.392 3.101 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCc3ncccc3C2)cc1[N+](=O)[O-] ZINC000615201915 460292718 /nfs/dbraw/zinc/29/27/18/460292718.db2.gz PBXFSZSAMFPWGU-UHFFFAOYSA-N 0 0 325.368 3.312 10 5 EGBERN COC(=O)[C@](C)(NCc1cc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000599643227 460295504 /nfs/dbraw/zinc/29/55/04/460295504.db2.gz LISKEYRDHFEVPO-QGZVFWFLSA-N 0 0 348.424 3.451 10 5 EGBERN COC(=O)[C@@](C)(NCc1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599655918 460300179 /nfs/dbraw/zinc/30/01/79/460300179.db2.gz YUKCQXAOBDSAHA-SFHVURJKSA-N 0 0 346.358 3.220 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599657035 460300362 /nfs/dbraw/zinc/30/03/62/460300362.db2.gz BJUQYZXJZCDDDX-GFCCVEGCSA-N 0 0 346.362 3.038 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000599694291 460313900 /nfs/dbraw/zinc/31/39/00/460313900.db2.gz HDUUXFWVJJBXAV-CYBMUJFWSA-N 0 0 341.367 3.337 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611300307 460332593 /nfs/dbraw/zinc/33/25/93/460332593.db2.gz LDLDJPWPINKQLY-GFCCVEGCSA-N 0 0 329.356 3.188 10 5 EGBERN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCO1 ZINC000599829367 460343232 /nfs/dbraw/zinc/34/32/32/460343232.db2.gz GHEBOXVCEBTEJY-UHFFFAOYSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCCOC1 ZINC000599833576 460344533 /nfs/dbraw/zinc/34/45/33/460344533.db2.gz UMQCJENSSKPLLE-VXGBXAGGSA-N 0 0 344.371 3.080 10 5 EGBERN CN(CC1=CCSC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834625 460344766 /nfs/dbraw/zinc/34/47/66/460344766.db2.gz JXYLKNBMELTDDC-UHFFFAOYSA-N 0 0 344.396 3.280 10 5 EGBERN O=C(NC[C@@H]1CCCSC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835242 460345677 /nfs/dbraw/zinc/34/56/77/460345677.db2.gz KRBSKKPJWQWYRB-NSHDSACASA-N 0 0 346.412 3.408 10 5 EGBERN CO[C@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599840903 460347122 /nfs/dbraw/zinc/34/71/22/460347122.db2.gz VEZIJCCLWYHQNC-MGPLVRAMSA-N 0 0 344.371 3.078 10 5 EGBERN CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000619434257 460355476 /nfs/dbraw/zinc/35/54/76/460355476.db2.gz RRMZJXZEDXWWQH-LPHOPBHVSA-N 0 0 348.443 3.488 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000599943476 460362463 /nfs/dbraw/zinc/36/24/63/460362463.db2.gz LTTMMVVUKFKWSU-VIFPVBQESA-N 0 0 349.131 3.275 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599995941 460367960 /nfs/dbraw/zinc/36/79/60/460367960.db2.gz WCEMELQZNHNTJT-UWVGGRQHSA-N 0 0 339.189 3.133 10 5 EGBERN C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1F ZINC000611506237 460381700 /nfs/dbraw/zinc/38/17/00/460381700.db2.gz IYWYCDMZEGDCKF-DZGCQCFKSA-N 0 0 349.406 3.018 10 5 EGBERN COc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611516602 460384907 /nfs/dbraw/zinc/38/49/07/460384907.db2.gz HMFDZHUKYGZXTF-UHFFFAOYSA-N 0 0 338.367 3.079 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1O ZINC000611524968 460387883 /nfs/dbraw/zinc/38/78/83/460387883.db2.gz XSPCZSVFKYSTGI-CZUORRHYSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cnn(CC(F)(F)F)c3)n2)cc1 ZINC000615779554 460390239 /nfs/dbraw/zinc/39/02/39/460390239.db2.gz VLRBVAQADOYBHU-UHFFFAOYSA-N 0 0 339.233 3.071 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611549371 460395319 /nfs/dbraw/zinc/39/53/19/460395319.db2.gz RAJPIGYDBLVZOD-WCBMZHEXSA-N 0 0 331.294 3.101 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000611573490 460404649 /nfs/dbraw/zinc/40/46/49/460404649.db2.gz PMJNNJVYTAVDKE-LLVKDONJSA-N 0 0 334.706 3.092 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611576427 460406119 /nfs/dbraw/zinc/40/61/19/460406119.db2.gz NCQBVKFLKXRPHO-GWCFXTLKSA-N 0 0 343.330 3.069 10 5 EGBERN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)OC)c1 ZINC000600165991 460416851 /nfs/dbraw/zinc/41/68/51/460416851.db2.gz SNLQAAOEWVQEIF-KRWDZBQOSA-N 0 0 344.367 3.029 10 5 EGBERN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccccc1 ZINC000604441862 460428025 /nfs/dbraw/zinc/42/80/25/460428025.db2.gz MOGVVUJFJKKCGI-UHFFFAOYSA-N 0 0 336.351 3.121 10 5 EGBERN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnoc1 ZINC000604542198 460443410 /nfs/dbraw/zinc/44/34/10/460443410.db2.gz FHWLZUPRKOQVLD-UHFFFAOYSA-N 0 0 347.274 3.332 10 5 EGBERN Nc1cc(N(Cc2ccco2)Cc2ccco2)cc(CO)c1[N+](=O)[O-] ZINC000615992769 460443445 /nfs/dbraw/zinc/44/34/45/460443445.db2.gz VZPSUUCCUDLIDN-UHFFFAOYSA-N 0 0 343.339 3.062 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccnc2OC(C)C)c1 ZINC000611745688 460448257 /nfs/dbraw/zinc/44/82/57/460448257.db2.gz JHYDWRWCDAKUCP-UHFFFAOYSA-N 0 0 345.355 3.176 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[C@@H]2CCCCO2)c1 ZINC000611759101 460452752 /nfs/dbraw/zinc/45/27/52/460452752.db2.gz ZNNJEYJRIAZARL-HNNXBMFYSA-N 0 0 336.388 3.389 10 5 EGBERN COc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cnc1OC ZINC000600269339 460461249 /nfs/dbraw/zinc/46/12/49/460461249.db2.gz SUHRNNQDRPKVOR-UHFFFAOYSA-N 0 0 345.355 3.185 10 5 EGBERN COc1cc(C(=O)N[C@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000600300552 460466919 /nfs/dbraw/zinc/46/69/19/460466919.db2.gz DXJRKMVAFMMQJM-KRWDZBQOSA-N 0 0 341.367 3.270 10 5 EGBERN CC(C)(C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600369767 460486021 /nfs/dbraw/zinc/48/60/21/460486021.db2.gz BLZWFDVEOPJZNX-UHFFFAOYSA-N 0 0 328.368 3.167 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000600385839 460487869 /nfs/dbraw/zinc/48/78/69/460487869.db2.gz BUVKXYKECWXZJT-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN Cn1c(CSCCOc2ccc([N+](=O)[O-])cc2)nnc1C1CCC1 ZINC000611925892 460490950 /nfs/dbraw/zinc/49/09/50/460490950.db2.gz VQHZBJWBZLTOJX-UHFFFAOYSA-N 0 0 348.428 3.303 10 5 EGBERN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600520148 460511628 /nfs/dbraw/zinc/51/16/28/460511628.db2.gz NMUNNWGFQCSLNC-AAEUAGOBSA-N 0 0 332.381 3.107 10 5 EGBERN O=C(CSc1nc(C2CC2)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000600528982 460512860 /nfs/dbraw/zinc/51/28/60/460512860.db2.gz AFZMNCJKUZGXAT-UHFFFAOYSA-N 0 0 349.343 3.082 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCOC1CCOCC1 ZINC000600536303 460515647 /nfs/dbraw/zinc/51/56/47/460515647.db2.gz MSGABTYYPMVJOV-UHFFFAOYSA-N 0 0 335.278 3.188 10 5 EGBERN CO[C@H](Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccc(F)cc1 ZINC000600560737 460524774 /nfs/dbraw/zinc/52/47/74/460524774.db2.gz AFYWKLWUYMGYFP-QGZVFWFLSA-N 0 0 346.358 3.162 10 5 EGBERN CC1(C)C[C@@H](SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000600575509 460530449 /nfs/dbraw/zinc/53/04/49/460530449.db2.gz OELVJBRESAGKJG-GFCCVEGCSA-N 0 0 335.385 3.446 10 5 EGBERN CCn1nc(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600607598 460543465 /nfs/dbraw/zinc/54/34/65/460543465.db2.gz IAERGLNBQBDQCF-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)C(F)(F)F ZINC000601162695 460737069 /nfs/dbraw/zinc/73/70/69/460737069.db2.gz UECRPEPOTYVOKA-UHFFFAOYSA-N 0 0 334.220 3.348 10 5 EGBERN Cc1noc(C)c1[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601173370 460739549 /nfs/dbraw/zinc/73/95/49/460739549.db2.gz ZBQDEQKABFTKNG-NSHDSACASA-N 0 0 343.383 3.499 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2c2cccnc2)c(Br)c1 ZINC000601191028 460746434 /nfs/dbraw/zinc/74/64/34/460746434.db2.gz FHBWVKMTBWFMHF-JQWIXIFHSA-N 0 0 349.188 3.363 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3cccnc3)C2)s1 ZINC000601216220 460753826 /nfs/dbraw/zinc/75/38/26/460753826.db2.gz KKSOFGKGJOGQGZ-LBPRGKRZSA-N 0 0 341.396 3.379 10 5 EGBERN COc1ccc(CN(c2ccc([N+](=O)[O-])nc2)[C@H](C)CCCO)cc1 ZINC000601226802 460757300 /nfs/dbraw/zinc/75/73/00/460757300.db2.gz JVTAIKWHVNAAFS-CQSZACIVSA-N 0 0 345.399 3.166 10 5 EGBERN COc1ccc(CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)CCCO)cc1 ZINC000601226801 460757720 /nfs/dbraw/zinc/75/77/20/460757720.db2.gz JVTAIKWHVNAAFS-AWEZNQCLSA-N 0 0 345.399 3.166 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000601246786 460764502 /nfs/dbraw/zinc/76/45/02/460764502.db2.gz XXIDMJBUIIDBNH-SECBINFHSA-N 0 0 326.278 3.317 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4ccsc4[nH]3)n2)nc1 ZINC000612968187 460788162 /nfs/dbraw/zinc/78/81/62/460788162.db2.gz PRHXLUWEWJKQNW-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN O=C(N[C@H]1CCOC2(CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601339656 460791087 /nfs/dbraw/zinc/79/10/87/460791087.db2.gz FNLPNSDBEIXTHH-HNNXBMFYSA-N 0 0 344.411 3.234 10 5 EGBERN COc1cc(Cc2noc(C3(C(F)F)CCC3)n2)ccc1[N+](=O)[O-] ZINC000601368646 460797195 /nfs/dbraw/zinc/79/71/95/460797195.db2.gz ZUAREKJUNUAPRH-UHFFFAOYSA-N 0 0 339.298 3.264 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3Cc4ccc(Cl)cc43)n2)n1C ZINC000601375060 460798328 /nfs/dbraw/zinc/79/83/28/460798328.db2.gz PTWMFLBOLTWHJO-LLVKDONJSA-N 0 0 345.746 3.028 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccccc1)C1CCC1 ZINC000601499424 460819896 /nfs/dbraw/zinc/81/98/96/460819896.db2.gz DKQPSQAILOZGPU-UHFFFAOYSA-N 0 0 332.381 3.343 10 5 EGBERN Cc1c(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cccc1[N+](=O)[O-] ZINC000601524054 460824989 /nfs/dbraw/zinc/82/49/89/460824989.db2.gz APCNKFASDUEBLA-MZBDJJRSSA-N 0 0 344.411 3.305 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000617380245 460837756 /nfs/dbraw/zinc/83/77/56/460837756.db2.gz BXJZWRMECWINNV-AWEZNQCLSA-N 0 0 346.362 3.318 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000601586601 460839915 /nfs/dbraw/zinc/83/99/15/460839915.db2.gz MSWJEIDBHVTWFU-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN O=C(N1CCO[C@H](C2CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601633859 460852084 /nfs/dbraw/zinc/85/20/84/460852084.db2.gz YAOHDKNTMXYFNA-KRWDZBQOSA-N 0 0 344.411 3.044 10 5 EGBERN Cc1cc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc(C)n1 ZINC000601641066 460855052 /nfs/dbraw/zinc/85/50/52/460855052.db2.gz NEGMDEAMFPZODL-UHFFFAOYSA-N 0 0 339.395 3.345 10 5 EGBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC2(CCC2)O1 ZINC000601648632 460855967 /nfs/dbraw/zinc/85/59/67/460855967.db2.gz GVICOPYFGIXCMM-CQSZACIVSA-N 0 0 344.411 3.187 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601659123 460859746 /nfs/dbraw/zinc/85/97/46/460859746.db2.gz MJAWTEYXGITIJA-KRWDZBQOSA-N 0 0 339.395 3.329 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601742718 460887011 /nfs/dbraw/zinc/88/70/11/460887011.db2.gz GPZHTPSUQXKCBZ-UHFFFAOYSA-N 0 0 331.397 3.146 10 5 EGBERN CC[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601773632 460894162 /nfs/dbraw/zinc/89/41/62/460894162.db2.gz AGOZFGALVSNHPY-HKUYNNGSSA-N 0 0 342.395 3.112 10 5 EGBERN CC1=C(C)C[C@@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601776305 460895428 /nfs/dbraw/zinc/89/54/28/460895428.db2.gz IOSYYLBGRZXLHY-KBXCAEBGSA-N 0 0 332.400 3.055 10 5 EGBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601779514 460896196 /nfs/dbraw/zinc/89/61/96/460896196.db2.gz YPHFSWZFHNWILM-KSSFIOAISA-N 0 0 329.400 3.258 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601885953 460936616 /nfs/dbraw/zinc/93/66/16/460936616.db2.gz NTFDBZOETLPALF-DLBZAZTESA-N 0 0 348.399 3.071 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](CC(F)(F)F)C3)c2c1 ZINC000617972960 461047088 /nfs/dbraw/zinc/04/70/88/461047088.db2.gz UXYPZVJQVQMXBV-VIFPVBQESA-N 0 0 326.278 3.317 10 5 EGBERN CC1(c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000599197284 548110670 /nfs/dbraw/zinc/11/06/70/548110670.db2.gz AELQYOWJWULUHT-UHFFFAOYSA-N 0 0 340.343 3.057 10 5 EGBERN C[C@@H]1CSC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672222268 548410763 /nfs/dbraw/zinc/41/07/63/548410763.db2.gz OYRUPSNJTJBBIH-BDJLRTHQSA-N 0 0 338.432 3.163 10 5 EGBERN CC1(F)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000684328799 550316082 /nfs/dbraw/zinc/31/60/82/550316082.db2.gz KQTKXDWYXSPGGV-UHFFFAOYSA-N 0 0 346.308 3.144 10 5 EGBERN CCn1c(COC(=O)c2ccc([N+](=O)[O-])o2)nc2cc(F)ccc21 ZINC000727503389 574672155 /nfs/dbraw/zinc/67/21/55/574672155.db2.gz HXNGVOIXPDAXIJ-UHFFFAOYSA-N 0 0 333.275 3.054 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NC1CCCCCC1 ZINC000728202257 574729511 /nfs/dbraw/zinc/72/95/11/574729511.db2.gz YHBOIMUUJIFBCB-ZDUSSCGKSA-N 0 0 331.416 3.185 10 5 EGBERN COc1ccc(/C=C2\N=C(c3ccsc3)OC2=O)cc1[N+](=O)[O-] ZINC000730159253 574927736 /nfs/dbraw/zinc/92/77/36/574927736.db2.gz UQVBHAGVXICYJX-WDZFZDKYSA-N 0 0 330.321 3.009 10 5 EGBERN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000730814094 575023335 /nfs/dbraw/zinc/02/33/35/575023335.db2.gz BQECZBFVBZIUIL-CQSZACIVSA-N 0 0 340.426 3.260 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCc3ccc(CO)c(F)c3)sc2c1 ZINC000731208705 575060125 /nfs/dbraw/zinc/06/01/25/575060125.db2.gz FYDKIWLBMSEPJD-UHFFFAOYSA-N 0 0 333.344 3.448 10 5 EGBERN C[C@@H](OC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000731574440 575083091 /nfs/dbraw/zinc/08/30/91/575083091.db2.gz XVSGDZQUFGTSOP-LLVKDONJSA-N 0 0 342.351 3.492 10 5 EGBERN COc1cc(COC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1SC ZINC000731700181 575200800 /nfs/dbraw/zinc/20/08/00/575200800.db2.gz TXZXIPMKRFUPDT-UHFFFAOYSA-N 0 0 348.380 3.386 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccc(F)cc23)c2nonc21 ZINC000735076968 575598189 /nfs/dbraw/zinc/59/81/89/575598189.db2.gz YQZRUIQIDIMGNY-UHFFFAOYSA-N 0 0 341.302 3.406 10 5 EGBERN CC(C)(C)OC(=O)N(CCCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000735487147 575668551 /nfs/dbraw/zinc/66/85/51/575668551.db2.gz PUOZXZKBHQIZTJ-UHFFFAOYSA-N 0 0 336.392 3.191 10 5 EGBERN C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2F)C[C@H](C)O1 ZINC000735487186 575668578 /nfs/dbraw/zinc/66/85/78/575668578.db2.gz RPCGOTQNWATYRX-RYUDHWBXSA-N 0 0 346.362 3.486 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000735487689 575668635 /nfs/dbraw/zinc/66/86/35/575668635.db2.gz VIRHOENRWWNLPY-LBPRGKRZSA-N 0 0 327.262 3.154 10 5 EGBERN C[C@@H](OC(=O)[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000741006073 576644922 /nfs/dbraw/zinc/64/49/22/576644922.db2.gz ZOMBDBIPMUTIIP-CXAGYDPISA-N 0 0 329.352 3.193 10 5 EGBERN Nc1ccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000742111776 576749380 /nfs/dbraw/zinc/74/93/80/576749380.db2.gz AJTARFCZKMTOFE-INIZCTEOSA-N 0 0 325.368 3.448 10 5 EGBERN CCOc1cc(N2CCC(OC(=O)CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000744201864 576823024 /nfs/dbraw/zinc/82/30/24/576823024.db2.gz SGSNLFVBUYUBEQ-UHFFFAOYSA-N 0 0 348.399 3.306 10 5 EGBERN CCOc1ccc(C(=O)OCc2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC000744576818 576831261 /nfs/dbraw/zinc/83/12/61/576831261.db2.gz YVTNPFICNKWKFB-UHFFFAOYSA-N 0 0 336.731 3.399 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCN(Cc2ccccc2)CC1 ZINC000047540435 1291578438 /nfs/dbraw/zinc/57/84/38/1291578438.db2.gz CIGWVKFICQOETH-UHFFFAOYSA-N 0 0 329.375 3.052 10 5 EGBERN CCOc1cc(/C=C\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000096891476 1292954875 /nfs/dbraw/zinc/95/48/75/1292954875.db2.gz XHDCSJROWNERFU-KTKRTIGZSA-N 0 0 349.364 3.144 10 5 EGBERN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cc(F)ccc1F ZINC000096878980 1292955434 /nfs/dbraw/zinc/95/54/34/1292955434.db2.gz SOUJGIAREYCTRQ-RJRFIUFISA-N 0 0 348.261 3.254 10 5 EGBERN COc1cccc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])c1OC ZINC000152067939 1293952047 /nfs/dbraw/zinc/95/20/47/1293952047.db2.gz IKINQEWDEXYGFV-UHFFFAOYSA-N 0 0 331.324 3.277 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000870700239 1296027794 /nfs/dbraw/zinc/02/77/94/1296027794.db2.gz FAVZYKPGSMPINH-LSDHHAIUSA-N 0 0 326.352 3.454 10 5 EGBERN CCOc1ccc(C(=O)OC2CCC(OCC)CC2)cc1[N+](=O)[O-] ZINC000870800971 1296089072 /nfs/dbraw/zinc/08/90/72/1296089072.db2.gz MKDJCBBKOPYWCQ-UHFFFAOYSA-N 0 0 337.372 3.498 10 5 EGBERN CC(C)(CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000870827960 1296106066 /nfs/dbraw/zinc/10/60/66/1296106066.db2.gz HWCCTXOGVRFKCC-UHFFFAOYSA-N 0 0 335.282 3.017 10 5 EGBERN Cc1csc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000870827836 1296106149 /nfs/dbraw/zinc/10/61/49/1296106149.db2.gz GNRQJXBTUFUKKN-UHFFFAOYSA-N 0 0 341.776 3.375 10 5 EGBERN Cc1c(Cl)cccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828406 1296106429 /nfs/dbraw/zinc/10/64/29/1296106429.db2.gz QEEQLXLKSADUQP-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](F)CC1CCCCC1 ZINC000870828758 1296106470 /nfs/dbraw/zinc/10/64/70/1296106470.db2.gz VAVVGPMDVMZQLJ-PESDSKBTSA-N 0 0 339.367 3.347 10 5 EGBERN CCCc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000870830481 1296107413 /nfs/dbraw/zinc/10/74/13/1296107413.db2.gz DKTHLKUOCOWSBQ-UHFFFAOYSA-N 0 0 335.385 3.366 10 5 EGBERN COc1cc(C(=O)NCC2CCC3(CC3)CC2)c([N+](=O)[O-])cc1F ZINC000871019476 1296180649 /nfs/dbraw/zinc/18/06/49/1296180649.db2.gz DCOXSCZYQDSBQD-UHFFFAOYSA-N 0 0 336.363 3.443 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCCS1 ZINC000871023468 1296182354 /nfs/dbraw/zinc/18/23/54/1296182354.db2.gz DYQWAXPRHPOQBO-LBPRGKRZSA-N 0 0 326.443 3.089 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000871033422 1296188080 /nfs/dbraw/zinc/18/80/80/1296188080.db2.gz BCGPCDMIEOTWAG-NSHDSACASA-N 0 0 331.397 3.159 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1Cl ZINC000871306249 1296336076 /nfs/dbraw/zinc/33/60/76/1296336076.db2.gz HADCPHABKXFFTJ-XHDPSFHLSA-N 0 0 338.791 3.183 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1 ZINC000871332956 1296354954 /nfs/dbraw/zinc/35/49/54/1296354954.db2.gz APAWTCDYWCWZCM-AWEZNQCLSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000871509075 1296419357 /nfs/dbraw/zinc/41/93/57/1296419357.db2.gz PPIGCDDKINUCLG-UHFFFAOYSA-N 0 0 346.330 3.239 10 5 EGBERN O=C1O[C@@H](COc2cc(Cl)c([N+](=O)[O-])cc2F)CC12CCC2 ZINC000871693511 1296483658 /nfs/dbraw/zinc/48/36/58/1296483658.db2.gz BRCOLFNZTGYRRP-MRVPVSSYSA-N 0 0 329.711 3.252 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871693445 1296483891 /nfs/dbraw/zinc/48/38/91/1296483891.db2.gz ADJVGZMVAWBGBY-GUBZILKMSA-N 0 0 343.177 3.089 10 5 EGBERN C[C@H]1CCCN(C(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000871694681 1296485401 /nfs/dbraw/zinc/48/54/01/1296485401.db2.gz RJULQGPSUMQYCS-VIFPVBQESA-N 0 0 330.743 3.025 10 5 EGBERN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086691 1296725318 /nfs/dbraw/zinc/72/53/18/1296725318.db2.gz YGFWZOXVAFXDBW-BHYNMZESSA-N 0 0 330.306 3.199 10 5 EGBERN C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872091701 1296729629 /nfs/dbraw/zinc/72/96/29/1296729629.db2.gz ZIRJZIBRPDRCOI-PIGZYNQJSA-N 0 0 343.358 3.098 10 5 EGBERN C[C@H](NS(=O)(=O)CC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000872491850 1296979156 /nfs/dbraw/zinc/97/91/56/1296979156.db2.gz USKDMCCZYFCCDA-LBPRGKRZSA-N 0 0 338.429 3.156 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000872751838 1297090692 /nfs/dbraw/zinc/09/06/92/1297090692.db2.gz AQNKQZGNUCQJCU-XPTSAGLGSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872753235 1297092945 /nfs/dbraw/zinc/09/29/45/1297092945.db2.gz KAQNVBFKRRSOIE-LKFCYVNXSA-N 0 0 346.305 3.344 10 5 EGBERN CNc1ccc(C(=O)O[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000873579511 1297604613 /nfs/dbraw/zinc/60/46/13/1297604613.db2.gz HDNSNJNRXBNWJM-CYBMUJFWSA-N 0 0 334.372 3.285 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CCOC2(CCCC2)C1 ZINC000873580965 1297606711 /nfs/dbraw/zinc/60/67/11/1297606711.db2.gz MZBTUDKSPWPQRL-CYBMUJFWSA-N 0 0 335.356 3.009 10 5 EGBERN O=[N+]([O-])c1cc(Cl)nc(NCc2cc(Br)no2)c1 ZINC000719360108 1298315196 /nfs/dbraw/zinc/31/51/96/1298315196.db2.gz XIDLONKIOIHIHO-UHFFFAOYSA-N 0 0 333.529 3.006 10 5 EGBERN Cn1cc(CNc2ccc(OC3CCCC3)c(F)c2)c([N+](=O)[O-])n1 ZINC000876828540 1299020380 /nfs/dbraw/zinc/02/03/80/1299020380.db2.gz APDMGFICLTYEKI-UHFFFAOYSA-N 0 0 334.351 3.401 10 5 EGBERN Cc1ccc(NCc2cn(C)nc2[N+](=O)[O-])cc1Br ZINC000876841459 1299028895 /nfs/dbraw/zinc/02/88/95/1299028895.db2.gz SDGXUMFGKOVSQY-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CC(C)CC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878059689 1299730659 /nfs/dbraw/zinc/73/06/59/1299730659.db2.gz UUFGQGVSPDEWIR-GFCCVEGCSA-N 0 0 336.388 3.311 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC2(CCOCC2)CO1 ZINC000882786915 1302103827 /nfs/dbraw/zinc/10/38/27/1302103827.db2.gz ATMGGSCEUONMSY-OAHLLOKOSA-N 0 0 348.399 3.185 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000884699719 1302956309 /nfs/dbraw/zinc/95/63/09/1302956309.db2.gz HDUAZGQVTIZCQH-MCTKYDIJSA-N 0 0 348.399 3.182 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000885835031 1303256505 /nfs/dbraw/zinc/25/65/05/1303256505.db2.gz VKUNYMTZWODCJU-CWRNSKLLSA-N 0 0 346.427 3.408 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000890384534 1304768936 /nfs/dbraw/zinc/76/89/36/1304768936.db2.gz OKKMVMPHELYTIA-ZDUSSCGKSA-N 0 0 334.372 3.424 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893863568 1306104480 /nfs/dbraw/zinc/10/44/80/1306104480.db2.gz FZAXFWIQAONOAT-ZWNOBZJWSA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(F)F ZINC000894053976 1306193510 /nfs/dbraw/zinc/19/35/10/1306193510.db2.gz MYYOGUGUNZTWFE-LLVKDONJSA-N 0 0 341.358 3.215 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000894403295 1308856868 /nfs/dbraw/zinc/85/68/68/1308856868.db2.gz VEIKANMEYDHAES-OVHOFWQVSA-N 0 0 330.384 3.074 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000894495058 1308921081 /nfs/dbraw/zinc/92/10/81/1308921081.db2.gz RQBZMZPHKAMCAC-OWCLPIDISA-N 0 0 332.400 3.020 10 5 EGBERN Cc1cc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000894674134 1309018396 /nfs/dbraw/zinc/01/83/96/1309018396.db2.gz VIKURSVDILUJTF-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894734685 1309043366 /nfs/dbraw/zinc/04/33/66/1309043366.db2.gz RSJRTWMUELPZRP-FZMZJTMJSA-N 0 0 346.408 3.451 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(C2CC2)CCC1 ZINC000895357123 1309298285 /nfs/dbraw/zinc/29/82/85/1309298285.db2.gz DZCPQUHLGVGMNL-UHFFFAOYSA-N 0 0 326.755 3.379 10 5 EGBERN Cn1c(=O)c([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C(F)(F)F)c2ccccc21 ZINC000896092855 1309696773 /nfs/dbraw/zinc/69/67/73/1309696773.db2.gz GLINVCYKFCSPLV-WCBMZHEXSA-N 0 0 341.289 3.057 10 5 EGBERN CSC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913385008 1319020474 /nfs/dbraw/zinc/02/04/74/1319020474.db2.gz MHHMYGKMZSVQIK-UHFFFAOYSA-N 0 0 332.784 3.289 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3nccc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000897014960 1310135980 /nfs/dbraw/zinc/13/59/80/1310135980.db2.gz USFBSEXRVPCEMQ-FKGLVLAHSA-N 0 0 341.367 3.143 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC000897539550 1310369648 /nfs/dbraw/zinc/36/96/48/1310369648.db2.gz HVHWXCHMDNRICT-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000897563557 1310382695 /nfs/dbraw/zinc/38/26/95/1310382695.db2.gz WWPYDGZRNYFUGA-CABCVRRESA-N 0 0 332.400 3.440 10 5 EGBERN Cc1cc(F)cc(C(=O)NCC[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000857689374 1328585040 /nfs/dbraw/zinc/58/50/40/1328585040.db2.gz SOZBAWRUNILELI-QMMMGPOBSA-N 0 0 335.162 3.356 10 5 EGBERN CC(C)(C(=O)N1CCc2nc(F)ccc21)c1ccc([N+](=O)[O-])cc1F ZINC000857896497 1328618108 /nfs/dbraw/zinc/61/81/08/1328618108.db2.gz VBABVJLWGVKJSD-UHFFFAOYSA-N 0 0 347.321 3.135 10 5 EGBERN C[C@H](CNC(=O)Nc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000929583520 1328639024 /nfs/dbraw/zinc/63/90/24/1328639024.db2.gz JUTLHBQSZHURLE-GFCCVEGCSA-N 0 0 341.367 3.455 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899537722 1317077915 /nfs/dbraw/zinc/07/79/15/1317077915.db2.gz UQSGHIYOWYBDDW-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899691244 1317136039 /nfs/dbraw/zinc/13/60/39/1317136039.db2.gz LTSKEKPXXIKVJP-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN O=C(C[C@H]1CCc2sccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000899910592 1317199527 /nfs/dbraw/zinc/19/95/27/1317199527.db2.gz JCKFJAHAHXQFDG-SNVBAGLBSA-N 0 0 330.365 3.430 10 5 EGBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000913898050 1319167508 /nfs/dbraw/zinc/16/75/08/1319167508.db2.gz OCQZCZWLDFWWOH-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000914473589 1319332871 /nfs/dbraw/zinc/33/28/71/1319332871.db2.gz HYVINTHZEZSRIW-UHFFFAOYSA-N 0 0 342.351 3.357 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000914786106 1319378903 /nfs/dbraw/zinc/37/89/03/1319378903.db2.gz NCCPIHCNIUZYHV-XYLWRLHESA-N 0 0 330.340 3.417 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])C12CCC2 ZINC000858691952 1328831675 /nfs/dbraw/zinc/83/16/75/1328831675.db2.gz NVYVJTWSQJOENA-ZDUSSCGKSA-N 0 0 348.403 3.334 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000858692269 1328831739 /nfs/dbraw/zinc/83/17/39/1328831739.db2.gz UDXMITFAUQZDKY-LBPRGKRZSA-N 0 0 345.380 3.392 10 5 EGBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(Cl)n1 ZINC000916042923 1319593471 /nfs/dbraw/zinc/59/34/71/1319593471.db2.gz LRHOAHOTTZTFKH-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(C[C@H]3CCC4(CCC4)CO3)n2)cc1 ZINC000916841036 1319712738 /nfs/dbraw/zinc/71/27/38/1319712738.db2.gz AFBIOLUGTXAXME-OAHLLOKOSA-N 0 0 328.372 3.203 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000858736338 1328847211 /nfs/dbraw/zinc/84/72/11/1328847211.db2.gz NXKDFLAELWNXPR-ZDUSSCGKSA-N 0 0 332.356 3.251 10 5 EGBERN Cc1nc(Cn2cc([N+](=O)[O-])cc(F)c2=O)sc1C(C)(C)C ZINC000917873568 1319885797 /nfs/dbraw/zinc/88/57/97/1319885797.db2.gz PLDCLANLNQPGIK-UHFFFAOYSA-N 0 0 325.365 3.006 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000858779795 1328858876 /nfs/dbraw/zinc/85/88/76/1328858876.db2.gz XOUWRRAQOCMIGX-NEPJUHHUSA-N 0 0 336.392 3.190 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000858805393 1328865347 /nfs/dbraw/zinc/86/53/47/1328865347.db2.gz KPKZJRJVYSQRSD-HRCADAONSA-N 0 0 326.400 3.360 10 5 EGBERN Cc1ncc(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)o1 ZINC000930723580 1328950223 /nfs/dbraw/zinc/95/02/23/1328950223.db2.gz NLXTWHTUWMTHHF-LBPRGKRZSA-N 0 0 333.241 3.424 10 5 EGBERN CCc1onc(C)c1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000918823752 1322000543 /nfs/dbraw/zinc/00/05/43/1322000543.db2.gz OXOUCQVVNZMEJX-UHFFFAOYSA-N 0 0 334.328 3.080 10 5 EGBERN COc1cncc(COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000859476893 1328996504 /nfs/dbraw/zinc/99/65/04/1328996504.db2.gz YJWSKWYJNAYQAO-UHFFFAOYSA-N 0 0 345.355 3.048 10 5 EGBERN C[C@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000919304060 1322051355 /nfs/dbraw/zinc/05/13/55/1322051355.db2.gz GWHCIXSKYJXQLF-JTQLQIEISA-N 0 0 328.324 3.102 10 5 EGBERN CCC[C@H](C)N1C[C@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000919585446 1322081914 /nfs/dbraw/zinc/08/19/14/1322081914.db2.gz UDSPUTWZILHTSW-GZBFAFLISA-N 0 0 348.399 3.236 10 5 EGBERN CC(C)(C)c1ccnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000920052313 1322131127 /nfs/dbraw/zinc/13/11/27/1322131127.db2.gz DMHHAWHTWJBJDD-UHFFFAOYSA-N 0 0 346.412 3.413 10 5 EGBERN C[C@@H](OC(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000920155540 1322145755 /nfs/dbraw/zinc/14/57/55/1322145755.db2.gz WESQJQJGXWBJBO-SNVBAGLBSA-N 0 0 327.296 3.496 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CCOC3CCCC3)n2)c1 ZINC000920413457 1322174749 /nfs/dbraw/zinc/17/47/49/1322174749.db2.gz ZLALJGGDTHLCKG-UHFFFAOYSA-N 0 0 336.779 3.466 10 5 EGBERN C[C@H](c1ccncc1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930972880 1329019315 /nfs/dbraw/zinc/01/93/15/1329019315.db2.gz ANZYNQARANSVNV-GFCCVEGCSA-N 0 0 331.347 3.281 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000921807373 1322401612 /nfs/dbraw/zinc/40/16/12/1322401612.db2.gz PJPLFAXPVGHTSD-JDFRZJQESA-N 0 0 347.415 3.160 10 5 EGBERN C[C@@H]1C[C@H]1COC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000859588560 1329027615 /nfs/dbraw/zinc/02/76/15/1329027615.db2.gz JFXPNSHHOMUZJD-SCZZXKLOSA-N 0 0 328.162 3.099 10 5 EGBERN Cc1cc(COC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(C)nn1 ZINC000922582915 1322562891 /nfs/dbraw/zinc/56/28/91/1322562891.db2.gz PEUCVOVFRQQGGH-UHFFFAOYSA-N 0 0 329.356 3.284 10 5 EGBERN Cc1cc(COC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c(C)nn1 ZINC000922793069 1322618709 /nfs/dbraw/zinc/61/87/09/1322618709.db2.gz ACBVAXHIPRDSJL-UHFFFAOYSA-N 0 0 335.747 3.320 10 5 EGBERN CCO[C@H](COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000859634625 1329041713 /nfs/dbraw/zinc/04/17/13/1329041713.db2.gz GVPDDSDZACDSCB-GFCCVEGCSA-N 0 0 331.727 3.359 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CCOC2(CCCC2)C1 ZINC000923427133 1322749601 /nfs/dbraw/zinc/74/96/01/1322749601.db2.gz RWZHPVBTRHZLBW-LBPRGKRZSA-N 0 0 325.386 3.439 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)O[C@@H]1CCCCC1=O ZINC000923594053 1322779466 /nfs/dbraw/zinc/77/94/66/1322779466.db2.gz YJJUSVWVAVHDIF-CQSZACIVSA-N 0 0 325.748 3.236 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000923599638 1322780229 /nfs/dbraw/zinc/78/02/29/1322780229.db2.gz YGOCAIDVYSAPPB-GSJFWJNXSA-N 0 0 327.764 3.149 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc([C@@]23CCO[C@@H]2CCCC3)n1 ZINC000923760744 1322803807 /nfs/dbraw/zinc/80/38/07/1322803807.db2.gz MTKWDBJIJBKOHM-PBHICJAKSA-N 0 0 329.356 3.169 10 5 EGBERN CCc1cnc(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000859674118 1329051525 /nfs/dbraw/zinc/05/15/25/1329051525.db2.gz PDIGHGLJCWQTFV-UHFFFAOYSA-N 0 0 339.804 3.240 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000923906217 1322843853 /nfs/dbraw/zinc/84/38/53/1322843853.db2.gz AHCUUCPTYAAZIV-UKRRQHHQSA-N 0 0 347.415 3.162 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000923913903 1322845855 /nfs/dbraw/zinc/84/58/55/1322845855.db2.gz VJQOANATCSXDAZ-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1nccn1C(F)F ZINC000923963509 1322857326 /nfs/dbraw/zinc/85/73/26/1322857326.db2.gz CRFPWMOFBCDPEP-UHFFFAOYSA-N 0 0 343.261 3.002 10 5 EGBERN C[C@@H](OC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC000923963152 1322857570 /nfs/dbraw/zinc/85/75/70/1322857570.db2.gz SDPMYLJPLRWIER-SNVBAGLBSA-N 0 0 335.287 3.074 10 5 EGBERN CCO[C@@H](COC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000923963742 1322857792 /nfs/dbraw/zinc/85/77/92/1322857792.db2.gz VRAFRSUCPKSCQB-HNNXBMFYSA-N 0 0 325.336 3.025 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1noc2c1CCCC2 ZINC000923963004 1322857829 /nfs/dbraw/zinc/85/78/29/1322857829.db2.gz LXIHOJNUGGSINF-UHFFFAOYSA-N 0 0 348.330 3.277 10 5 EGBERN Cc1cc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])ncn1 ZINC000923966669 1322858486 /nfs/dbraw/zinc/85/84/86/1322858486.db2.gz IUNLVRBLEXLKIG-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CCc1cnc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000923967694 1322859163 /nfs/dbraw/zinc/85/91/63/1322859163.db2.gz QUHAAAZOJAWYSU-UHFFFAOYSA-N 0 0 338.747 3.475 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1CCCOC1 ZINC000923967931 1322859395 /nfs/dbraw/zinc/85/93/95/1322859395.db2.gz TWXBUIXGECGBQF-LLVKDONJSA-N 0 0 327.764 3.151 10 5 EGBERN O=C(COC(=O)[C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000859703832 1329058817 /nfs/dbraw/zinc/05/88/17/1329058817.db2.gz FZIOVKMNNYXREK-QIMFLAQGSA-N 0 0 335.331 3.286 10 5 EGBERN O=C(OCc1cccnc1[N+](=O)[O-])C1(CCc2ccccc2)CC1 ZINC000924413046 1323012075 /nfs/dbraw/zinc/01/20/75/1323012075.db2.gz PPASAVXVWJIDAV-UHFFFAOYSA-N 0 0 326.352 3.446 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CCCO1 ZINC000924422996 1323019631 /nfs/dbraw/zinc/01/96/31/1323019631.db2.gz ADNUJNAIAGJXQD-INIZCTEOSA-N 0 0 333.365 3.405 10 5 EGBERN CCC(C)(C)[C@@H](O)C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000859765060 1329072999 /nfs/dbraw/zinc/07/29/99/1329072999.db2.gz CAVCQXHFYZVKTO-LBPRGKRZSA-N 0 0 349.305 3.454 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000931227165 1329075772 /nfs/dbraw/zinc/07/57/72/1329075772.db2.gz YNKWHFYOIVFUGT-OAHLLOKOSA-N 0 0 346.362 3.143 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297674 1329088502 /nfs/dbraw/zinc/08/85/02/1329088502.db2.gz NFNHSUHOJLCNAT-GWCFXTLKSA-N 0 0 339.779 3.327 10 5 EGBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC[C@@H]1O ZINC000859865009 1329100297 /nfs/dbraw/zinc/10/02/97/1329100297.db2.gz KBNQTGDBQWCUOJ-HKUYNNGSSA-N 0 0 342.395 3.419 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2c(Br)cccc2[N+](=O)[O-])CO1 ZINC000859999104 1329125418 /nfs/dbraw/zinc/12/54/18/1329125418.db2.gz IYUYIBGVOJZWRS-MRVPVSSYSA-N 0 0 344.161 3.082 10 5 EGBERN CC1(C)C[C@H](C(=O)OCc2ccc(F)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000860072576 1329141138 /nfs/dbraw/zinc/14/11/38/1329141138.db2.gz RRFRNMANYUBUAN-GFCCVEGCSA-N 0 0 325.336 3.371 10 5 EGBERN C[C@H](OC(=O)[C@H]1C[C@]1(C)Br)c1ccc([N+](=O)[O-])cc1 ZINC000860120207 1329151245 /nfs/dbraw/zinc/15/12/45/1329151245.db2.gz QJHKXHFDEQNFQE-KDDOJWQBSA-N 0 0 328.162 3.373 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCC23CC3)c1 ZINC000860176824 1329166811 /nfs/dbraw/zinc/16/68/11/1329166811.db2.gz SOAPKRWXFMZVOZ-ZDUSSCGKSA-N 0 0 333.340 3.005 10 5 EGBERN COC(=O)C1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000860188599 1329169831 /nfs/dbraw/zinc/16/98/31/1329169831.db2.gz NDDHUHRBVZNPNH-GHMZBOCLSA-N 0 0 340.807 3.410 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC000860263572 1329184907 /nfs/dbraw/zinc/18/49/07/1329184907.db2.gz WBWNSCJTZLPFTO-SMDDNHRTSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235492 1325090374 /nfs/dbraw/zinc/09/03/74/1325090374.db2.gz LSJUHGYBVZPBLP-DAXOMENPSA-N 0 0 349.431 3.094 10 5 EGBERN C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860555225 1329330222 /nfs/dbraw/zinc/33/02/22/1329330222.db2.gz GOYMYYJDYLMEEB-OLZOCXBDSA-N 0 0 328.368 3.293 10 5 EGBERN CC(C)(O)CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000860979427 1329375580 /nfs/dbraw/zinc/37/55/80/1329375580.db2.gz BJIXZTCPGMCKME-UHFFFAOYSA-N 0 0 328.368 3.124 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927301773 1327963798 /nfs/dbraw/zinc/96/37/98/1327963798.db2.gz DRNQEYSYIDXWIM-VLIAUNLRSA-N 0 0 347.374 3.490 10 5 EGBERN CNc1c(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000927303337 1327964508 /nfs/dbraw/zinc/96/45/08/1327964508.db2.gz BYXREZPUVVMVJX-KUHUBIRLSA-N 0 0 337.379 3.050 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927326432 1327973003 /nfs/dbraw/zinc/97/30/03/1327973003.db2.gz YPMAOHNTFMDTME-ACJLOTCBSA-N 0 0 326.327 3.148 10 5 EGBERN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000927395535 1328004207 /nfs/dbraw/zinc/00/42/07/1328004207.db2.gz KNKOKOBNWLQNAQ-OPBQOODWSA-N 0 0 346.452 3.489 10 5 EGBERN C[C@@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)S2)c1cccc([N+](=O)[O-])c1 ZINC000927397796 1328005367 /nfs/dbraw/zinc/00/53/67/1328005367.db2.gz MWMNWXRLWHBDIH-OKSWLAIDSA-N 0 0 334.441 3.489 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927404622 1328009587 /nfs/dbraw/zinc/00/95/87/1328009587.db2.gz XPCJAHDZFONOMQ-SEIUHJMVSA-N 0 0 332.425 3.398 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928238526 1328249172 /nfs/dbraw/zinc/24/91/72/1328249172.db2.gz CJALCPIAVIFJHU-AWEZNQCLSA-N 0 0 338.379 3.083 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](Cc2nccs2)C1 ZINC000928275321 1328271158 /nfs/dbraw/zinc/27/11/58/1328271158.db2.gz QYXLBUCEZKVRFY-LLVKDONJSA-N 0 0 349.387 3.285 10 5 EGBERN C[C@]1(F)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000861360334 1329412867 /nfs/dbraw/zinc/41/28/67/1329412867.db2.gz QHZBNHYJYWMBBC-INIZCTEOSA-N 0 0 332.335 3.499 10 5 EGBERN O=C(NCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861851177 1329445707 /nfs/dbraw/zinc/44/57/07/1329445707.db2.gz VIVUKXVZAPYMRB-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN COC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861936663 1329451794 /nfs/dbraw/zinc/45/17/94/1329451794.db2.gz YGQMIHCPZHIVKZ-CQSZACIVSA-N 0 0 328.368 3.389 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862099910 1329458922 /nfs/dbraw/zinc/45/89/22/1329458922.db2.gz XBNPVYMPFTVLLL-GOSISDBHSA-N 0 0 330.384 3.419 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CO2 ZINC000862531737 1329492904 /nfs/dbraw/zinc/49/29/04/1329492904.db2.gz JXAZPDSYSLBJPS-GFCCVEGCSA-N 0 0 344.342 3.084 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000862865002 1329516303 /nfs/dbraw/zinc/51/63/03/1329516303.db2.gz IFYBGYUCVIPRRR-LCYFTJDESA-N 0 0 326.352 3.292 10 5 EGBERN C[C@]1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000863122632 1329529742 /nfs/dbraw/zinc/52/97/42/1329529742.db2.gz KLOFDVNDNJLKAU-CDMJZVDBSA-N 0 0 340.782 3.482 10 5 EGBERN C[C@H](S[C@H]1COC(C)(C)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000863355415 1329549693 /nfs/dbraw/zinc/54/96/93/1329549693.db2.gz NMYDZIDFAYLUST-GXSJLCMTSA-N 0 0 342.392 3.362 10 5 EGBERN CCSc1ccc(Cn2ncc([N+](=O)[O-])n2)c(Br)c1 ZINC000863371262 1329550127 /nfs/dbraw/zinc/55/01/27/1329550127.db2.gz LVMLXDIJVJKZJV-UHFFFAOYSA-N 0 0 343.206 3.109 10 5 EGBERN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ncc([N+](=O)[O-])n1 ZINC000863374882 1329550418 /nfs/dbraw/zinc/55/04/18/1329550418.db2.gz GBIMNRTUCPMADA-UHFFFAOYSA-N 0 0 331.376 3.072 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC000863637912 1329569245 /nfs/dbraw/zinc/56/92/45/1329569245.db2.gz GMOBDQBDMGNAHI-HNNXBMFYSA-N 0 0 331.759 3.369 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000863815084 1329583409 /nfs/dbraw/zinc/58/34/09/1329583409.db2.gz UOSZYZROEQBQMR-IBUXWKBASA-N 0 0 336.363 3.318 10 5 EGBERN C[C@H]1CCCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864444368 1329614977 /nfs/dbraw/zinc/61/49/77/1329614977.db2.gz AGYPEMXXZHQXAA-JTQLQIEISA-N 0 0 341.205 3.301 10 5 EGBERN Cc1ccc(C[NH2+]Cc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000864517514 1329621144 /nfs/dbraw/zinc/62/11/44/1329621144.db2.gz HKRMDKOZEQFCES-UHFFFAOYSA-N 0 0 328.368 3.210 10 5 EGBERN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000864930754 1329652741 /nfs/dbraw/zinc/65/27/41/1329652741.db2.gz HQRAEPNJLDGVFE-SOZUMNATSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865181269 1329675476 /nfs/dbraw/zinc/67/54/76/1329675476.db2.gz UDYCMZXPLBIGES-JOYOIKCWSA-N 0 0 341.205 3.205 10 5 EGBERN CC1(C)CCC[C@@]2(C1)NC(=O)N(c1ccc([N+](=O)[O-])cc1F)C2=O ZINC000865213104 1329676277 /nfs/dbraw/zinc/67/62/77/1329676277.db2.gz RWCLYYZSIHMEKR-INIZCTEOSA-N 0 0 335.335 3.129 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000865257605 1329680413 /nfs/dbraw/zinc/68/04/13/1329680413.db2.gz CSYPNCQDDZAQOY-HUUCEWRRSA-N 0 0 335.429 3.229 10 5 EGBERN CC1(C)CC[C@@H](Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)OC1 ZINC000865369464 1329689484 /nfs/dbraw/zinc/68/94/84/1329689484.db2.gz XGXZVJLGCTZZIW-LBPRGKRZSA-N 0 0 334.351 3.198 10 5 EGBERN CC(=O)N1CC[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865812406 1329741395 /nfs/dbraw/zinc/74/13/95/1329741395.db2.gz PBDUNIUKYKELEG-VIFPVBQESA-N 0 0 332.187 3.182 10 5 EGBERN C[C@@H](O)c1ccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000865853306 1329745681 /nfs/dbraw/zinc/74/56/81/1329745681.db2.gz FPPUZRDNLJKJHX-CJNGLKHVSA-N 0 0 327.384 3.427 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC2CCC(OC(F)F)CC2)cc1F ZINC000865861305 1329746355 /nfs/dbraw/zinc/74/63/55/1329746355.db2.gz QKWZIWKRDXFPMX-UHFFFAOYSA-N 0 0 334.294 3.189 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000865971493 1329755791 /nfs/dbraw/zinc/75/57/91/1329755791.db2.gz MWIMVUGIGWSCSG-KRNBLGIKSA-N 0 0 349.239 3.391 10 5 EGBERN COCc1ncc2c(n1)CCN(c1cc(C)c([N+](=O)[O-])cc1Cl)C2 ZINC000865991515 1329757358 /nfs/dbraw/zinc/75/73/58/1329757358.db2.gz AOVKBCXLVLKMSO-UHFFFAOYSA-N 0 0 348.790 3.056 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H]1O ZINC000866001095 1329758076 /nfs/dbraw/zinc/75/80/76/1329758076.db2.gz CMSVLMBNPXYEOK-VUCTXSBTSA-N 0 0 327.384 3.129 10 5 EGBERN COc1cc(NCc2ccc(C3(C)OCCO3)cc2)ccc1[N+](=O)[O-] ZINC000866007524 1329758531 /nfs/dbraw/zinc/75/85/31/1329758531.db2.gz OGMXKFARYOQXQL-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN CC(=O)c1cc(N2CCC[C@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051075 1330059672 /nfs/dbraw/zinc/05/96/72/1330059672.db2.gz HNTXARLOBITDHW-RBUKOAKNSA-N 0 0 340.379 3.500 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CCC3)[C@H]3CCOC3)c21 ZINC000866141691 1330070034 /nfs/dbraw/zinc/07/00/34/1330070034.db2.gz MHSMRGBIBHBRNQ-BLLLJJGKSA-N 0 0 328.372 3.155 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@](F)(c4ccccc4)C3)nn21 ZINC000866149219 1330070683 /nfs/dbraw/zinc/07/06/83/1330070683.db2.gz IDKDFLMWLCHMTG-QGZVFWFLSA-N 0 0 341.346 3.103 10 5 EGBERN COc1cc(NCc2nn(C)cc2C(F)F)c([N+](=O)[O-])cc1C ZINC000866193041 1330076125 /nfs/dbraw/zinc/07/61/25/1330076125.db2.gz JYOGMDHLXBGRKQ-UHFFFAOYSA-N 0 0 326.303 3.195 10 5 EGBERN CCC(=O)c1ccc(NCc2nn(C)cc2C(F)F)c([N+](=O)[O-])c1 ZINC000866193972 1330076549 /nfs/dbraw/zinc/07/65/49/1330076549.db2.gz RRCHDYHBXGPMCR-UHFFFAOYSA-N 0 0 338.314 3.471 10 5 EGBERN CC1(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000866398646 1330106726 /nfs/dbraw/zinc/10/67/26/1330106726.db2.gz KVVJBPUYSNLNAB-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN CC(C)(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCCO1 ZINC000866499982 1330118848 /nfs/dbraw/zinc/11/88/48/1330118848.db2.gz RIRFVYBRHXXJPN-AWEZNQCLSA-N 0 0 340.807 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(CC4CCOCC4)no3)CCC2)cc1 ZINC000866907234 1330156420 /nfs/dbraw/zinc/15/64/20/1330156420.db2.gz ASISPFJRDYVUMJ-UHFFFAOYSA-N 0 0 343.383 3.417 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2CCSc3ccccc32)no1 ZINC000867146676 1330178870 /nfs/dbraw/zinc/17/88/70/1330178870.db2.gz WZQRFQCCCIQKOU-JTQLQIEISA-N 0 0 343.368 3.006 10 5 EGBERN CCc1nc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000868237127 1330263715 /nfs/dbraw/zinc/26/37/15/1330263715.db2.gz IDCHNMGDJWNFMK-LLVKDONJSA-N 0 0 348.428 3.483 10 5 EGBERN CCc1nc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000868237132 1330263878 /nfs/dbraw/zinc/26/38/78/1330263878.db2.gz IDCHNMGDJWNFMK-NSHDSACASA-N 0 0 348.428 3.483 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000868654355 1330305897 /nfs/dbraw/zinc/30/58/97/1330305897.db2.gz AHCUUCPTYAAZIV-DZGCQCFKSA-N 0 0 347.415 3.162 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000868988620 1330387884 /nfs/dbraw/zinc/38/78/84/1330387884.db2.gz ACYXBEZEBRESGO-IRXDYDNUSA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000869053533 1330403469 /nfs/dbraw/zinc/40/34/69/1330403469.db2.gz BVVLGTOYWOQEQT-MRXNPFEDSA-N 0 0 347.415 3.146 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000869053038 1330403634 /nfs/dbraw/zinc/40/36/34/1330403634.db2.gz HYIDMFSLXVARRM-MRXNPFEDSA-N 0 0 340.383 3.345 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000869384285 1330478649 /nfs/dbraw/zinc/47/86/49/1330478649.db2.gz XFUNEEWXOKGCBO-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN CC(C)(C(=O)NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000869600343 1330530869 /nfs/dbraw/zinc/53/08/69/1330530869.db2.gz DUZFTGUIWFJANN-LLVKDONJSA-N 0 0 340.420 3.271 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCSC1 ZINC000869611809 1330533500 /nfs/dbraw/zinc/53/35/00/1330533500.db2.gz HDWSWQXFFJHCHX-NWDGAFQWSA-N 0 0 340.470 3.335 10 5 EGBERN C[C@H](OC(=O)[C@]12C[C@H]1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000869709333 1330549631 /nfs/dbraw/zinc/54/96/31/1330549631.db2.gz XNZDGRMXHSQVQX-XWCIJXRUSA-N 0 0 332.356 3.045 10 5 EGBERN CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000869713960 1330551208 /nfs/dbraw/zinc/55/12/08/1330551208.db2.gz NPSMSNXGPFJUTM-CQSZACIVSA-N 0 0 325.336 3.372 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)OCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000869754790 1330559892 /nfs/dbraw/zinc/55/98/92/1330559892.db2.gz QREKJGMCAKKIEJ-DIFFPNOSSA-N 0 0 335.356 3.006 10 5 EGBERN C[C@@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cnccn1 ZINC000869811991 1330569292 /nfs/dbraw/zinc/56/92/92/1330569292.db2.gz XWHLFJLFMDKYCT-GFCCVEGCSA-N 0 0 327.340 3.111 10 5 EGBERN C[C@@H](OC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000869855146 1330576939 /nfs/dbraw/zinc/57/69/39/1330576939.db2.gz LWBSWTLHZASKTJ-VXGBXAGGSA-N 0 0 329.356 3.292 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC001183165739 1387270822 /nfs/dbraw/zinc/27/08/22/1387270822.db2.gz LPDAOZKNHADIES-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN COC[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001323331159 1387340359 /nfs/dbraw/zinc/34/03/59/1387340359.db2.gz OKZPJHBOPFOHQR-KRWDZBQOSA-N 0 0 341.367 3.008 10 5 EGBERN NC(=O)c1cc(N2CC=C(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001184667121 1387506173 /nfs/dbraw/zinc/50/61/73/1387506173.db2.gz ULIUXEXQUOAJRM-UHFFFAOYSA-N 0 0 341.342 3.127 10 5 EGBERN Cc1coc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1C ZINC001324133661 1387546800 /nfs/dbraw/zinc/54/68/00/1387546800.db2.gz PHLIGTGBDKWRFQ-UHFFFAOYSA-N 0 0 325.324 3.335 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1nc(C2CC2)no1 ZINC001185046342 1387597262 /nfs/dbraw/zinc/59/72/62/1387597262.db2.gz KMVPIPOSBJPFAA-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN COc1ccc(COC(=O)CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001324491531 1387644771 /nfs/dbraw/zinc/64/47/71/1387644771.db2.gz WOXXMNFVGRXFJA-UHFFFAOYSA-N 0 0 333.262 3.379 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1Cc2ccccc2C1 ZINC001185377404 1387697246 /nfs/dbraw/zinc/69/72/46/1387697246.db2.gz OVCROYFKTUOBBR-UHFFFAOYSA-N 0 0 340.305 3.174 10 5 EGBERN Nc1cc(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)[nH]n1 ZINC001185611892 1387760640 /nfs/dbraw/zinc/76/06/40/1387760640.db2.gz QKHKBOBGFSKBQY-UHFFFAOYSA-N 0 0 337.330 3.222 10 5 EGBERN Cc1ncc([N+](=O)[O-])c(OCc2nnc(-c3cccc(F)c3)o2)c1C ZINC001189505141 1367038537 /nfs/dbraw/zinc/03/85/37/1367038537.db2.gz SZMBLOCZZBLJLD-UHFFFAOYSA-N 0 0 344.302 3.375 10 5 EGBERN O=C(CSc1ccc2n[nH]cc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001189530757 1367045801 /nfs/dbraw/zinc/04/58/01/1367045801.db2.gz HMWQSMAKGJHFLV-UHFFFAOYSA-N 0 0 346.343 3.341 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001324958502 1387850922 /nfs/dbraw/zinc/85/09/22/1387850922.db2.gz PLDBVPZTRZIDAR-NSHDSACASA-N 0 0 349.774 3.088 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nnn(CCSCc2ccccc2)n1 ZINC001190220511 1367202813 /nfs/dbraw/zinc/20/28/13/1367202813.db2.gz WEMOODYGIAXAHF-UHFFFAOYSA-N 0 0 341.396 3.182 10 5 EGBERN Cc1cc(NCc2cc(S(C)(=O)=O)ccc2F)c([N+](=O)[O-])s1 ZINC001186238294 1387903146 /nfs/dbraw/zinc/90/31/46/1387903146.db2.gz BNADUTFXVPJADW-UHFFFAOYSA-N 0 0 344.389 3.119 10 5 EGBERN Cc1ccccc1NC1(CNc2nn(C)cc2[N+](=O)[O-])CCCC1 ZINC001186440783 1387942667 /nfs/dbraw/zinc/94/26/67/1387942667.db2.gz FPODPHAZFITJIA-UHFFFAOYSA-N 0 0 329.404 3.474 10 5 EGBERN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001197647768 1368863682 /nfs/dbraw/zinc/86/36/82/1368863682.db2.gz VQZMTSFTQPTSEI-SNVBAGLBSA-N 0 0 341.327 3.230 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)Cc2cccc(F)c2)c2ncccc12 ZINC001186571072 1387971632 /nfs/dbraw/zinc/97/16/32/1387971632.db2.gz DALUUALRZZNZEZ-CQSZACIVSA-N 0 0 341.342 3.298 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc2c1CCNC2=O ZINC001202803585 1369898169 /nfs/dbraw/zinc/89/81/69/1369898169.db2.gz CGQFZKAZOYFXPB-RAXLEYEMSA-N 0 0 337.379 3.396 10 5 EGBERN CN1c2ccccc2C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC001186999696 1388037626 /nfs/dbraw/zinc/03/76/26/1388037626.db2.gz SFHUPNGDBUMFKQ-INIZCTEOSA-N 0 0 348.362 3.143 10 5 EGBERN C[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccnn1C ZINC001187379898 1388101597 /nfs/dbraw/zinc/10/15/97/1388101597.db2.gz GTKQALNJXKNGFK-QMMMGPOBSA-N 0 0 332.751 3.098 10 5 EGBERN CC1(C)C[C@]1(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001187479836 1388114575 /nfs/dbraw/zinc/11/45/75/1388114575.db2.gz UUKUBEKZIGVOJQ-CQSZACIVSA-N 0 0 348.371 3.439 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC2(CC2(F)F)C1 ZINC001118599810 1371205384 /nfs/dbraw/zinc/20/53/84/1371205384.db2.gz ARXJBBLIKJBFKI-UHFFFAOYSA-N 0 0 335.310 3.173 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)c2c1 ZINC001118928617 1371251641 /nfs/dbraw/zinc/25/16/41/1371251641.db2.gz RDCJLIQXKMHYNJ-PNRWSJCOSA-N 0 0 346.774 3.027 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)c2c1 ZINC001118928616 1371251866 /nfs/dbraw/zinc/25/18/66/1371251866.db2.gz RDCJLIQXKMHYNJ-NNTMWHKXSA-N 0 0 346.774 3.027 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC001119047153 1371268845 /nfs/dbraw/zinc/26/88/45/1371268845.db2.gz ZVVMYTGTHJQCRP-OPVBNTEQSA-N 0 0 333.171 3.197 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CCC2(CCC2)CO1 ZINC001187607179 1388129353 /nfs/dbraw/zinc/12/93/53/1388129353.db2.gz QGZJXJOZJLNKAT-ZDUSSCGKSA-N 0 0 345.374 3.465 10 5 EGBERN O=C(N[C@@H]1CCSC2(CCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119708701 1371391609 /nfs/dbraw/zinc/39/16/09/1371391609.db2.gz BGJAIWGAMMDPDX-CQSZACIVSA-N 0 0 347.440 3.438 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2noc(-c3ccco3)n2)c2ccccc21 ZINC001187669175 1388140034 /nfs/dbraw/zinc/14/00/34/1388140034.db2.gz AWUMLALVSYTXLZ-UHFFFAOYSA-N 0 0 337.295 3.398 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(F)(F)CC[C@H]1C ZINC001123264529 1372410457 /nfs/dbraw/zinc/41/04/57/1372410457.db2.gz PDAXFXJLVAZUCS-SECBINFHSA-N 0 0 329.303 3.255 10 5 EGBERN CC[C@](C)(O)CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001123376074 1372446645 /nfs/dbraw/zinc/44/66/45/1372446645.db2.gz BKQQNBVCRREGEQ-ZDUSSCGKSA-N 0 0 335.278 3.322 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001124032109 1372660823 /nfs/dbraw/zinc/66/08/23/1372660823.db2.gz XEYJMBQZQVJVIT-IAGOWNOFSA-N 0 0 343.383 3.250 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@]12CCCOC2 ZINC001124131211 1372678236 /nfs/dbraw/zinc/67/82/36/1372678236.db2.gz KWOLZLBOVPGHFM-INIZCTEOSA-N 0 0 338.791 3.424 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC001124274451 1372688436 /nfs/dbraw/zinc/68/84/36/1372688436.db2.gz MSQKASSOQVFVCM-UHFFFAOYSA-N 0 0 341.367 3.166 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1-n1cccn1 ZINC001124396480 1372698398 /nfs/dbraw/zinc/69/83/98/1372698398.db2.gz LXSIIUCBXODGOT-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC001124403446 1372698983 /nfs/dbraw/zinc/69/89/83/1372698983.db2.gz KDUFLZRKHXLIEQ-JTQLQIEISA-N 0 0 328.324 3.179 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001124406043 1372699068 /nfs/dbraw/zinc/69/90/68/1372699068.db2.gz GPONCIVRDHWCHW-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnccc1C(F)(F)F ZINC001124414017 1372699539 /nfs/dbraw/zinc/69/95/39/1372699539.db2.gz VSRFWQCNUHGYBF-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001124928956 1372740437 /nfs/dbraw/zinc/74/04/37/1372740437.db2.gz PKNVLDPEMHULAQ-JTQLQIEISA-N 0 0 333.296 3.201 10 5 EGBERN C[C@@H](Cc1ccccc1F)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125308422 1372769321 /nfs/dbraw/zinc/76/93/21/1372769321.db2.gz XBOGIQPRCRHUFW-NSHDSACASA-N 0 0 334.322 3.163 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](COCC(C)C)c2ccco2)n1 ZINC001125767318 1372852206 /nfs/dbraw/zinc/85/22/06/1372852206.db2.gz CAFWPIIBZMGGMH-OAHLLOKOSA-N 0 0 347.371 3.035 10 5 EGBERN Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001125937538 1372894910 /nfs/dbraw/zinc/89/49/10/1372894910.db2.gz SXMOYYYUFQZJER-HZPDHXFCSA-N 0 0 326.352 3.069 10 5 EGBERN CC(C)[C@H]1CCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001126113515 1372936833 /nfs/dbraw/zinc/93/68/33/1372936833.db2.gz LJXOIDVDDOASFH-NVXWUHKLSA-N 0 0 345.399 3.125 10 5 EGBERN CCc1nc(C)ncc1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001126196710 1372947969 /nfs/dbraw/zinc/94/79/69/1372947969.db2.gz YYQFOTKHZKPYGM-UHFFFAOYSA-N 0 0 335.747 3.437 10 5 EGBERN CO[C@@]1(C)C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001126448042 1372966332 /nfs/dbraw/zinc/96/63/32/1372966332.db2.gz CBJAJAANVVRTHT-QAPCUYQASA-N 0 0 349.431 3.059 10 5 EGBERN COc1cc(C(=O)N2CCCc3c(F)cccc32)c([N+](=O)[O-])cc1F ZINC001126683584 1372997369 /nfs/dbraw/zinc/99/73/69/1372997369.db2.gz ZQVSAWSJBQQFRX-UHFFFAOYSA-N 0 0 348.305 3.475 10 5 EGBERN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1(C)C ZINC001126844216 1373040216 /nfs/dbraw/zinc/04/02/16/1373040216.db2.gz LOWHQOPEMKIXLH-CVEARBPZSA-N 0 0 349.431 3.354 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[C@H]1c1ccncc1 ZINC001126953524 1373056868 /nfs/dbraw/zinc/05/68/68/1373056868.db2.gz YJZYOKRBLPNWJO-LSDHHAIUSA-N 0 0 334.335 3.280 10 5 EGBERN COC(=O)c1cc(C(=O)NC2CCC(C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001126968350 1373060473 /nfs/dbraw/zinc/06/04/73/1373060473.db2.gz FYMWQAZNDCFUPJ-UHFFFAOYSA-N 0 0 348.399 3.326 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]2c3ccccc3OC[C@H]2C)n1 ZINC001127401612 1373123816 /nfs/dbraw/zinc/12/38/16/1373123816.db2.gz GDVPATYBGQJRLW-QLJPJBMISA-N 0 0 328.324 3.225 10 5 EGBERN CCC1(CC)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC001127451583 1373128547 /nfs/dbraw/zinc/12/85/47/1373128547.db2.gz BTYWBGPXCFHSKF-QBPKDAKJSA-N 0 0 346.427 3.408 10 5 EGBERN CC1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCCCC1 ZINC001127575162 1373141516 /nfs/dbraw/zinc/14/15/16/1373141516.db2.gz GXLQXOJMCDSUDB-UHFFFAOYSA-N 0 0 334.372 3.414 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cccnc21 ZINC001127582158 1373142270 /nfs/dbraw/zinc/14/22/70/1373142270.db2.gz HSXAZJNLARRMES-LLVKDONJSA-N 0 0 329.381 3.060 10 5 EGBERN CCCn1c2ccccc2n(CC)c1=NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001128064699 1373214092 /nfs/dbraw/zinc/21/40/92/1373214092.db2.gz ZTNQQTYBFAGMBZ-UHFFFAOYSA-N 0 0 346.431 3.136 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@H]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001128063352 1373214281 /nfs/dbraw/zinc/21/42/81/1373214281.db2.gz CPBDVMIKHJTQBV-AWEZNQCLSA-N 0 0 348.399 3.470 10 5 EGBERN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128325316 1373251611 /nfs/dbraw/zinc/25/16/11/1373251611.db2.gz NHQCOBXDLGGOED-DGCLKSJQSA-N 0 0 327.384 3.496 10 5 EGBERN C/C=C\COc1cccc(CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC001128350824 1373255934 /nfs/dbraw/zinc/25/59/34/1373255934.db2.gz KJIRUDYNRPVBFM-ARJAWSKDSA-N 0 0 341.367 3.150 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)c2ccccc21 ZINC001128408462 1373263283 /nfs/dbraw/zinc/26/32/83/1373263283.db2.gz WNVOXYBSPGORNY-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccnc(OC(F)F)c1 ZINC001128409349 1373263295 /nfs/dbraw/zinc/26/32/95/1373263295.db2.gz DKFKZHWATUNWHM-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN Cc1cc(C)c(COC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001128540007 1373286202 /nfs/dbraw/zinc/28/62/02/1373286202.db2.gz TZFHTQBADBPMND-UHFFFAOYSA-N 0 0 333.315 3.473 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCc2c(F)c(F)c(F)cc21 ZINC001128887449 1373320754 /nfs/dbraw/zinc/32/07/54/1373320754.db2.gz FXQYNYKFHKCSIX-UHFFFAOYSA-N 0 0 326.230 3.198 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cccc3nonc32)cc1[N+](=O)[O-] ZINC001128887193 1373320825 /nfs/dbraw/zinc/32/08/25/1373320825.db2.gz NWCPRDBDPRIDRT-UHFFFAOYSA-N 0 0 332.703 3.345 10 5 EGBERN Cc1cccc2cc(C(=O)Nc3c([N+](=O)[O-])ncn3C)c(Cl)nc12 ZINC001128882670 1373321023 /nfs/dbraw/zinc/32/10/23/1373321023.db2.gz VIJDCKXMFZORBI-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN CS(C)(=O)=Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001129046642 1373340115 /nfs/dbraw/zinc/34/01/15/1373340115.db2.gz ZQVGZFZTZZFIGB-UHFFFAOYSA-N 0 0 339.398 3.268 10 5 EGBERN C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215644 1373362399 /nfs/dbraw/zinc/36/23/99/1373362399.db2.gz ZLKCDFPBBFOZPL-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc(Cl)cc1Cl ZINC001129367651 1373375412 /nfs/dbraw/zinc/37/54/12/1373375412.db2.gz RMNUKKCLIBCFMW-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN CN(C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001129505591 1373391882 /nfs/dbraw/zinc/39/18/82/1373391882.db2.gz FXLLVEDWMQYICN-UHFFFAOYSA-N 0 0 340.792 3.019 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3ccccc3C2(C)C)n1 ZINC001129679704 1373411554 /nfs/dbraw/zinc/41/15/54/1373411554.db2.gz OAGSOTHWGKUVDW-UHFFFAOYSA-N 0 0 325.368 3.232 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001130028817 1373446889 /nfs/dbraw/zinc/44/68/89/1373446889.db2.gz REWAVMGMPYJIHS-UHFFFAOYSA-N 0 0 348.305 3.301 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H](F)C1 ZINC001326630568 1388262866 /nfs/dbraw/zinc/26/28/66/1388262866.db2.gz AQZBLFVMSVHKQB-RYUDHWBXSA-N 0 0 349.318 3.216 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H](F)C1 ZINC001326630569 1388262918 /nfs/dbraw/zinc/26/29/18/1388262918.db2.gz AQZBLFVMSVHKQB-VXGBXAGGSA-N 0 0 349.318 3.216 10 5 EGBERN Cc1cccc(C2(NC(=O)COc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001130112328 1373457402 /nfs/dbraw/zinc/45/74/02/1373457402.db2.gz YTJLQAOMGADIII-UHFFFAOYSA-N 0 0 340.379 3.478 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001130172806 1373469787 /nfs/dbraw/zinc/46/97/87/1373469787.db2.gz OBCJABWFBCVQFB-UHFFFAOYSA-N 0 0 349.350 3.365 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001130215070 1373475155 /nfs/dbraw/zinc/47/51/55/1373475155.db2.gz VSVREMUVFZWHRH-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001130397406 1373518741 /nfs/dbraw/zinc/51/87/41/1373518741.db2.gz VHEADQZXCQDQLJ-PPWQZUPISA-N 0 0 332.400 3.305 10 5 EGBERN COc1c(C)cccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001130492286 1373551806 /nfs/dbraw/zinc/55/18/06/1373551806.db2.gz GHPYNOAHXQCGLO-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN COc1cc(C(=O)Oc2cccc(OC3CC3)c2)ccc1[N+](=O)[O-] ZINC001130638852 1373574057 /nfs/dbraw/zinc/57/40/57/1373574057.db2.gz NQODZUNZUSXPGX-UHFFFAOYSA-N 0 0 329.308 3.364 10 5 EGBERN COc1cc(C(=O)N(C)c2ccccc2OC)c([N+](=O)[O-])cc1F ZINC001130667959 1373577737 /nfs/dbraw/zinc/57/77/37/1373577737.db2.gz YCQLRUZQQPTZGT-UHFFFAOYSA-N 0 0 334.303 3.028 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)Nc1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001130761331 1373589372 /nfs/dbraw/zinc/58/93/72/1373589372.db2.gz PLBPSRYPNDKWOE-INIZCTEOSA-N 0 0 349.346 3.394 10 5 EGBERN CCn1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC001130909231 1373605918 /nfs/dbraw/zinc/60/59/18/1373605918.db2.gz ICEUJJJHMBRWQM-UHFFFAOYSA-N 0 0 346.390 3.010 10 5 EGBERN CCOc1cc(NC(=O)C2=Cc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC001130997799 1373622474 /nfs/dbraw/zinc/62/24/74/1373622474.db2.gz SPWIPFQYAVLTLX-UHFFFAOYSA-N 0 0 340.335 3.408 10 5 EGBERN Cc1cnccc1/C=C\C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131251095 1373669568 /nfs/dbraw/zinc/66/95/68/1373669568.db2.gz UPJAZGJHFGBWBR-DJWKRKHSSA-N 0 0 334.335 3.498 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CO2 ZINC001131320981 1373680440 /nfs/dbraw/zinc/68/04/40/1373680440.db2.gz VOPFLWNWRXIYQP-GFCCVEGCSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1cc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)on1 ZINC001131733072 1373776484 /nfs/dbraw/zinc/77/64/84/1373776484.db2.gz ULBCDWLRNNHHBQ-LLVKDONJSA-N 0 0 330.218 3.352 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001188324410 1388290717 /nfs/dbraw/zinc/29/07/17/1388290717.db2.gz GTFWYAREDORVCL-AWEZNQCLSA-N 0 0 339.413 3.026 10 5 EGBERN CCS(=O)(=O)c1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001188511766 1388322669 /nfs/dbraw/zinc/32/26/69/1388322669.db2.gz BELNJUTXVSYXFB-UHFFFAOYSA-N 0 0 339.344 3.107 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(C2CCC2)CCC1 ZINC001224862934 1375080506 /nfs/dbraw/zinc/08/05/06/1375080506.db2.gz HQRHSFXLDTXLEZ-UHFFFAOYSA-N 0 0 347.415 3.373 10 5 EGBERN Cc1c(C(=O)OCc2cnc(C3CC3)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132179501 1375191632 /nfs/dbraw/zinc/19/16/32/1375191632.db2.gz RXSXDYWLXGOSNR-UHFFFAOYSA-N 0 0 347.283 3.034 10 5 EGBERN O=C([O-])[C@H](CCF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001327050336 1388368884 /nfs/dbraw/zinc/36/88/84/1388368884.db2.gz NWGUTOCKEAKDSM-ZDUSSCGKSA-N 0 0 338.360 3.226 10 5 EGBERN CC(=O)c1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC001132422425 1375371407 /nfs/dbraw/zinc/37/14/07/1375371407.db2.gz WYFDUZRKYWZSJW-UHFFFAOYSA-N 0 0 330.315 3.175 10 5 EGBERN Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC001132476041 1375415060 /nfs/dbraw/zinc/41/50/60/1375415060.db2.gz FOSGVTGZPLKLFY-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC(C)(C)CO1 ZINC001132907077 1375637681 /nfs/dbraw/zinc/63/76/81/1375637681.db2.gz DSZVTDYHTGQKDS-CQSZACIVSA-N 0 0 334.416 3.455 10 5 EGBERN CCC(=O)N(C)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001132961523 1375675866 /nfs/dbraw/zinc/67/58/66/1375675866.db2.gz CQTLHVDLLFHIFX-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC001132962930 1375676538 /nfs/dbraw/zinc/67/65/38/1375676538.db2.gz OPXMOBFLVJOOPJ-DAXSKMNVSA-N 0 0 333.731 3.304 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ncc(Cl)s1 ZINC001133152863 1375810618 /nfs/dbraw/zinc/81/06/18/1375810618.db2.gz KKKBTDBNEIIRSL-UHFFFAOYSA-N 0 0 346.195 3.217 10 5 EGBERN Cc1ccc(/C=C\CC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001134358050 1376492939 /nfs/dbraw/zinc/49/29/39/1376492939.db2.gz LDRKLUZUFKTZBO-IHWYPQMZSA-N 0 0 339.351 3.044 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CCC[C@@]4(CCOC4)O3)c2)c1 ZINC001189060557 1388449819 /nfs/dbraw/zinc/44/98/19/1388449819.db2.gz ARAJKADEYGXMIW-ROUUACIJSA-N 0 0 343.383 3.187 10 5 EGBERN C[C@@H](CNC(=O)CCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134496399 1376568938 /nfs/dbraw/zinc/56/89/38/1376568938.db2.gz YBROWBKRWGLARA-ZDUSSCGKSA-N 0 0 346.358 3.423 10 5 EGBERN COc1c(F)nccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001134626885 1376631342 /nfs/dbraw/zinc/63/13/42/1376631342.db2.gz SIEXDCYTJASWQI-UHFFFAOYSA-N 0 0 339.710 3.352 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001134685334 1376657635 /nfs/dbraw/zinc/65/76/35/1376657635.db2.gz TVQVUOJSKJAHKW-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN Cc1cc(C)c2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)C2 ZINC001135144160 1376933041 /nfs/dbraw/zinc/93/30/41/1376933041.db2.gz FXEIEZWKRROJSG-UHFFFAOYSA-N 0 0 325.368 3.114 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001135744964 1377199871 /nfs/dbraw/zinc/19/98/71/1377199871.db2.gz YMSZCSYLVQESPU-IRXDYDNUSA-N 0 0 340.335 3.262 10 5 EGBERN O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266221287 1377232436 /nfs/dbraw/zinc/23/24/36/1377232436.db2.gz WBDQVUXKTNUHDK-ZWNOBZJWSA-N 0 0 343.210 3.197 10 5 EGBERN Cc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1N ZINC001136171842 1377360129 /nfs/dbraw/zinc/36/01/29/1377360129.db2.gz DXXZEDGPPOMWSC-UHFFFAOYSA-N 0 0 333.775 3.411 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CO)c(F)c1 ZINC001136401711 1377389298 /nfs/dbraw/zinc/38/92/98/1377389298.db2.gz ZMRRIRDCCQQKTI-UHFFFAOYSA-N 0 0 346.358 3.277 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001137253733 1377505465 /nfs/dbraw/zinc/50/54/65/1377505465.db2.gz IQNIMXDEHWPFFZ-ZDUSSCGKSA-N 0 0 332.381 3.122 10 5 EGBERN O=C(Nc1ccccc1-c1cn[nH]c1)c1cc([N+](=O)[O-])ccc1F ZINC001137760937 1377611920 /nfs/dbraw/zinc/61/19/20/1377611920.db2.gz PGCRXUBNAHSHIE-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN CC(=O)OCCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001137871741 1377634361 /nfs/dbraw/zinc/63/43/61/1377634361.db2.gz NAJHMGKGMDIMML-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN CC[C@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001137917817 1377644030 /nfs/dbraw/zinc/64/40/30/1377644030.db2.gz KNXDOXKSJDWVAC-AWEZNQCLSA-N 0 0 346.362 3.360 10 5 EGBERN CC(C)CSCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001138032382 1377668785 /nfs/dbraw/zinc/66/87/85/1377668785.db2.gz CUBXGZANNCTETQ-UHFFFAOYSA-N 0 0 348.428 3.104 10 5 EGBERN CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001138349554 1377707298 /nfs/dbraw/zinc/70/72/98/1377707298.db2.gz XCUKTWQYMGZWGW-UHFFFAOYSA-N 0 0 349.431 3.075 10 5 EGBERN CC1(C)C(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001139128670 1377835178 /nfs/dbraw/zinc/83/51/78/1377835178.db2.gz YNMZTCMFVXACPQ-UHFFFAOYSA-N 0 0 332.400 3.356 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1nc(C2CC2)cs1 ZINC001140344210 1378050611 /nfs/dbraw/zinc/05/06/11/1378050611.db2.gz ATBGTHQRLJXWSY-UHFFFAOYSA-N 0 0 345.424 3.172 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001140445751 1378064649 /nfs/dbraw/zinc/06/46/49/1378064649.db2.gz NIMAUDRXKWNCNJ-RKDXNWHRSA-N 0 0 329.759 3.295 10 5 EGBERN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C1CCC=CCC1 ZINC001277252678 1378213479 /nfs/dbraw/zinc/21/34/79/1378213479.db2.gz OBCFFIHMWGVBHP-UHFFFAOYSA-N 0 0 349.456 3.141 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2[nH]cnc2c1 ZINC001141229035 1378277454 /nfs/dbraw/zinc/27/74/54/1378277454.db2.gz OFOPPSOHUWYZPI-UHFFFAOYSA-N 0 0 338.367 3.326 10 5 EGBERN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503242 1378335384 /nfs/dbraw/zinc/33/53/84/1378335384.db2.gz PBTLAEFUXOIKHN-WCQYABFASA-N 0 0 342.399 3.035 10 5 EGBERN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC001142149317 1378416114 /nfs/dbraw/zinc/41/61/14/1378416114.db2.gz CAYBWXHRFXZRMB-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN CNc1ccc(C(=O)N2Cc3cc(F)c(F)cc3C2)cc1[N+](=O)[O-] ZINC001143401803 1378593127 /nfs/dbraw/zinc/59/31/27/1378593127.db2.gz XMUMRWFGJZCHAS-UHFFFAOYSA-N 0 0 333.294 3.071 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCC3(CO)CCC3)c2c1 ZINC001327689240 1388583372 /nfs/dbraw/zinc/58/33/72/1388583372.db2.gz SSMWSGMJOJVPBE-UHFFFAOYSA-N 0 0 336.779 3.156 10 5 EGBERN O=C(Nc1cnn(CCF)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001147520000 1379036727 /nfs/dbraw/zinc/03/67/27/1379036727.db2.gz VVMIXRNXEQRDBZ-UHFFFAOYSA-N 0 0 347.133 3.320 10 5 EGBERN O=C(Nc1ccc2[nH]c(CC3CCCCC3)nc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001148874936 1379288958 /nfs/dbraw/zinc/28/89/58/1379288958.db2.gz KDHNALYNMCDCFK-CZUORRHYSA-N 0 0 342.399 3.289 10 5 EGBERN O=Cc1ccc(F)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001149909063 1379465654 /nfs/dbraw/zinc/46/56/54/1379465654.db2.gz RCUZZLXZEZFLFJ-UHFFFAOYSA-N 0 0 342.326 3.351 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c2nc[nH]c2ccc1F ZINC001150827156 1379619079 /nfs/dbraw/zinc/61/90/79/1379619079.db2.gz IDGIKPFEMFBANR-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001151307471 1379697957 /nfs/dbraw/zinc/69/79/57/1379697957.db2.gz HMWGUMFPQANCIT-HOTGVXAUSA-N 0 0 346.770 3.085 10 5 EGBERN COc1ccc(NC(=O)c2cnn3cccc(Cl)c23)cc1[N+](=O)[O-] ZINC001152079634 1379858390 /nfs/dbraw/zinc/85/83/90/1379858390.db2.gz ZUDXMTBUQGMQRI-UHFFFAOYSA-N 0 0 346.730 3.157 10 5 EGBERN Cc1ccc(CNC(=O)c2cccnc2NC(C)C)cc1[N+](=O)[O-] ZINC001152085352 1379859896 /nfs/dbraw/zinc/85/98/96/1379859896.db2.gz AODMYMNPNMDCRG-UHFFFAOYSA-N 0 0 328.372 3.049 10 5 EGBERN O=C(Nc1ccc2c(c1)SCC(=O)N2)c1cc([N+](=O)[O-])ccc1F ZINC001152364310 1379920421 /nfs/dbraw/zinc/92/04/21/1379920421.db2.gz PUTNOCKVGZYMQL-UHFFFAOYSA-N 0 0 347.327 3.030 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC001152935451 1379996214 /nfs/dbraw/zinc/99/62/14/1379996214.db2.gz OCAWWBKZNAVPGM-KRWDZBQOSA-N 0 0 334.420 3.455 10 5 EGBERN O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001153184989 1380031667 /nfs/dbraw/zinc/03/16/67/1380031667.db2.gz IDKZYCKMTPVSHL-JKSUJKDBSA-N 0 0 332.306 3.489 10 5 EGBERN Cc1ccc(SC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001154532321 1380298643 /nfs/dbraw/zinc/29/86/43/1380298643.db2.gz SFLPTLMXECYZFZ-GFCCVEGCSA-N 0 0 345.424 3.396 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C2CCCCC2)CC1 ZINC001155978245 1380509796 /nfs/dbraw/zinc/50/97/96/1380509796.db2.gz WFYFCLNAESYAPX-UHFFFAOYSA-N 0 0 342.399 3.448 10 5 EGBERN COc1ccc2c(c1)[nH]nc2NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001156230476 1380545722 /nfs/dbraw/zinc/54/57/22/1380545722.db2.gz OTIMEJCGFGJLIJ-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2sccc2c(O)c1 ZINC001156415202 1380573263 /nfs/dbraw/zinc/57/32/63/1380573263.db2.gz QAPKEINQPFXKCY-UHFFFAOYSA-N 0 0 342.376 3.488 10 5 EGBERN CC(C)(C(=O)NCc1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001287415356 1381199319 /nfs/dbraw/zinc/19/93/19/1381199319.db2.gz ZNSKVGOMLMDSPQ-UHFFFAOYSA-N 0 0 334.322 3.467 10 5 EGBERN Cc1ncoc1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001158490711 1381265930 /nfs/dbraw/zinc/26/59/30/1381265930.db2.gz VZLIDOSKDZFEKF-UHFFFAOYSA-N 0 0 348.117 3.267 10 5 EGBERN Cc1ccc(OCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC001287962715 1381451343 /nfs/dbraw/zinc/45/13/43/1381451343.db2.gz YWGDSKQVGLXNRW-UHFFFAOYSA-N 0 0 328.368 3.215 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001288215615 1381731214 /nfs/dbraw/zinc/73/12/14/1381731214.db2.gz BCZQGRSCBWTXJS-ZIAGYGMSSA-N 0 0 345.330 3.270 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(F)ccc1Cl ZINC001288215652 1381731271 /nfs/dbraw/zinc/73/12/71/1381731271.db2.gz CSNRUPIZRFCFOX-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1c(C)cc(C)cc1C ZINC001288216563 1381731956 /nfs/dbraw/zinc/73/19/56/1381731956.db2.gz YJQIJOIZMZRRLS-UHFFFAOYSA-N 0 0 329.356 3.105 10 5 EGBERN Cc1cc(-n2cccn2)ccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001159331069 1381766387 /nfs/dbraw/zinc/76/63/87/1381766387.db2.gz TVTFHHFXKKUTNA-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1ccoc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288346562 1381789283 /nfs/dbraw/zinc/78/92/83/1381789283.db2.gz QONGKPLYHDFKIA-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN O=C(NCC(F)(F)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288424801 1381808086 /nfs/dbraw/zinc/80/80/86/1381808086.db2.gz WKBKHCWWYSBFQW-UHFFFAOYSA-N 0 0 342.248 3.395 10 5 EGBERN Cc1c(CC(=O)N=[S@]2(=O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001289030243 1381974097 /nfs/dbraw/zinc/97/40/97/1381974097.db2.gz VYVJGTKBOKTFFR-DEOSSOPVSA-N 0 0 344.392 3.056 10 5 EGBERN O=C(NCc1cc(F)cnc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001160118111 1382002353 /nfs/dbraw/zinc/00/23/53/1382002353.db2.gz KNPZUKAEXIMHJG-UHFFFAOYSA-N 0 0 344.129 3.366 10 5 EGBERN O=C(NCc1cc(F)cnc1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001160117519 1382002380 /nfs/dbraw/zinc/00/23/80/1382002380.db2.gz BHLNBTNBBQANOM-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001289966819 1382031393 /nfs/dbraw/zinc/03/13/93/1382031393.db2.gz KOWPELORYUMYGZ-UHFFFAOYSA-N 0 0 325.777 3.164 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1cccc(F)c1 ZINC001160222593 1382038988 /nfs/dbraw/zinc/03/89/88/1382038988.db2.gz JUFMZAHOCIRFBO-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CNc1ccc(C(=O)N(C[C@H]2CCC[C@@H](C)C2)OC)cc1[N+](=O)[O-] ZINC001160269733 1382057139 /nfs/dbraw/zinc/05/71/39/1382057139.db2.gz WHARFGGWCZLSKR-OLZOCXBDSA-N 0 0 335.404 3.466 10 5 EGBERN O=C([C@H](O)C1CCCCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585225 1382098186 /nfs/dbraw/zinc/09/81/86/1382098186.db2.gz DXSDOVZJVYMHOY-QGZVFWFLSA-N 0 0 332.400 3.205 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001290587352 1382098368 /nfs/dbraw/zinc/09/83/68/1382098368.db2.gz MHJBWXYHNPEACC-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(Nc1c2c(cc3c1CCC3)CCC2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001160477947 1382117542 /nfs/dbraw/zinc/11/75/42/1382117542.db2.gz TWDSXROYUHEJCX-UHFFFAOYSA-N 0 0 346.774 3.201 10 5 EGBERN CC(C)(C)[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001290992206 1382121285 /nfs/dbraw/zinc/12/12/85/1382121285.db2.gz AXCAEJASCAAZEW-CQSZACIVSA-N 0 0 346.362 3.228 10 5 EGBERN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001291919034 1382161672 /nfs/dbraw/zinc/16/16/72/1382161672.db2.gz JWSFVCBMYCECTG-SECBINFHSA-N 0 0 348.668 3.005 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc2ccccn12 ZINC001292086358 1382167664 /nfs/dbraw/zinc/16/76/64/1382167664.db2.gz VDTMVWWWORGITD-UHFFFAOYSA-N 0 0 338.367 3.293 10 5 EGBERN Nc1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC001160697252 1382173304 /nfs/dbraw/zinc/17/33/04/1382173304.db2.gz ZJUDLLFEECTKBA-UHFFFAOYSA-N 0 0 343.236 3.186 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2ccccc2)cc1Cl ZINC001293620732 1382317252 /nfs/dbraw/zinc/31/72/52/1382317252.db2.gz NIKPLDGHPDKZSI-QGZVFWFLSA-N 0 0 348.786 3.194 10 5 EGBERN CC(C)OC1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCCCC1 ZINC001294623391 1382480452 /nfs/dbraw/zinc/48/04/52/1382480452.db2.gz DXEUWDDFXHMPFN-UHFFFAOYSA-N 0 0 335.404 3.035 10 5 EGBERN CCc1[nH]c(=O)c(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1C ZINC001295136850 1382551916 /nfs/dbraw/zinc/55/19/16/1382551916.db2.gz ROUFXQQDEOOSLU-MRXNPFEDSA-N 0 0 343.383 3.447 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)c(F)c1 ZINC001295155259 1382558278 /nfs/dbraw/zinc/55/82/78/1382558278.db2.gz YSMYSSAWDVMNMC-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC001161974785 1382582317 /nfs/dbraw/zinc/58/23/17/1382582317.db2.gz HXKCEUCQCREMNB-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN CNc1nnc(Sc2ncc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC001162037163 1382610035 /nfs/dbraw/zinc/61/00/35/1382610035.db2.gz ATSYDIXJWNIXCC-UHFFFAOYSA-N 0 0 337.308 3.053 10 5 EGBERN CCOC(=O)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc(C)n1 ZINC001162297867 1382724690 /nfs/dbraw/zinc/72/46/90/1382724690.db2.gz UDCYVKRVODNOLV-UHFFFAOYSA-N 0 0 337.719 3.316 10 5 EGBERN CN(Cc1cnccn1)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162576106 1382795568 /nfs/dbraw/zinc/79/55/68/1382795568.db2.gz KHRQGNXHSIIHMT-UHFFFAOYSA-N 0 0 348.362 3.252 10 5 EGBERN C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)CC1(C)OCCO1 ZINC001162584115 1382798390 /nfs/dbraw/zinc/79/83/90/1382798390.db2.gz BELFOBRPUIMDTH-LBPRGKRZSA-N 0 0 335.404 3.070 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccn3)c2)c2ccccc21 ZINC001162584396 1382798678 /nfs/dbraw/zinc/79/86/78/1382798678.db2.gz HXGJMSIMMRMJEG-UHFFFAOYSA-N 0 0 332.323 3.467 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)C[C@@H](C)O)cc1C ZINC001162596830 1382803564 /nfs/dbraw/zinc/80/35/64/1382803564.db2.gz DHLWILSXYQHCIC-GFCCVEGCSA-N 0 0 338.404 3.289 10 5 EGBERN CN(CCCn1ccnc1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001162792024 1382874616 /nfs/dbraw/zinc/87/46/16/1382874616.db2.gz KESRRBVBOLNSQK-UHFFFAOYSA-N 0 0 328.294 3.337 10 5 EGBERN COc1cc(F)cc(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC001162799741 1382876126 /nfs/dbraw/zinc/87/61/26/1382876126.db2.gz JNUHVSNMGSPVQB-UHFFFAOYSA-N 0 0 343.314 3.338 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2cscn2)cc1C ZINC001162806733 1382879449 /nfs/dbraw/zinc/87/94/49/1382879449.db2.gz UYXFBWHBOQHZTE-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN Nc1c(C(=O)Nc2cc(F)ccc2O)cc2ccccc2c1[N+](=O)[O-] ZINC001295978947 1382889960 /nfs/dbraw/zinc/88/99/60/1382889960.db2.gz KIQXEWNSPASWBI-UHFFFAOYSA-N 0 0 341.298 3.427 10 5 EGBERN C[Si](C)(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC001296208655 1382920260 /nfs/dbraw/zinc/92/02/60/1382920260.db2.gz LWQWMEOJBKEPKF-UHFFFAOYSA-N 0 0 348.862 3.133 10 5 EGBERN Cc1cscc1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001163200182 1382991614 /nfs/dbraw/zinc/99/16/14/1382991614.db2.gz OACOJWBFSXTYRE-UHFFFAOYSA-N 0 0 329.381 3.429 10 5 EGBERN Cc1cnc(CCNc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC001163450155 1383054213 /nfs/dbraw/zinc/05/42/13/1383054213.db2.gz MZVIMXFCKRAFHJ-UHFFFAOYSA-N 0 0 337.177 3.110 10 5 EGBERN CC(C)(CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C1(O)CCCC1 ZINC001163507603 1383069303 /nfs/dbraw/zinc/06/93/03/1383069303.db2.gz NMMDDARUGQWYPA-UHFFFAOYSA-N 0 0 347.390 3.447 10 5 EGBERN Nc1nc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ncc1[N+](=O)[O-] ZINC001163519678 1383071553 /nfs/dbraw/zinc/07/15/53/1383071553.db2.gz NYYVVKDIEJLLFW-CMPLNLGQSA-N 0 0 333.779 3.369 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC001163906607 1383134828 /nfs/dbraw/zinc/13/48/28/1383134828.db2.gz MGDVMCIFSWPJRV-RGNHYFCHSA-N 0 0 328.752 3.013 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC[C@]2(C)CC2(C)C)c([N+](=O)[O-])c1 ZINC001164029540 1383148400 /nfs/dbraw/zinc/14/84/00/1383148400.db2.gz FVWYIGQFSDPTEP-SFHVURJKSA-N 0 0 342.399 3.407 10 5 EGBERN CN(C[Si](C)(C)C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001164191078 1383164722 /nfs/dbraw/zinc/16/47/22/1383164722.db2.gz WXUXAVXAXOLJCW-UHFFFAOYSA-N 0 0 334.408 3.365 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001164254750 1383171867 /nfs/dbraw/zinc/17/18/67/1383171867.db2.gz JTLILMXIDPAMIW-JTQLQIEISA-N 0 0 333.348 3.243 10 5 EGBERN Cc1c[nH]c(=O)c(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c1 ZINC001164295137 1383175183 /nfs/dbraw/zinc/17/51/83/1383175183.db2.gz UWWVLESYFGKSRJ-UHFFFAOYSA-N 0 0 345.746 3.213 10 5 EGBERN Cc1cc(N2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001164303678 1383176184 /nfs/dbraw/zinc/17/61/84/1383176184.db2.gz WESLLOXHRONKKO-DTORHVGOSA-N 0 0 337.367 3.426 10 5 EGBERN Cc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3N)CCC2)cc1 ZINC001164589996 1383202698 /nfs/dbraw/zinc/20/26/98/1383202698.db2.gz HMYRKRRMDOGZFC-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN CCc1ccccc1CCn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001165614209 1383315523 /nfs/dbraw/zinc/31/55/23/1383315523.db2.gz DYXYEDGEHHZWIZ-UHFFFAOYSA-N 0 0 339.351 3.217 10 5 EGBERN CC1(C)CC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001165783931 1383344466 /nfs/dbraw/zinc/34/44/66/1383344466.db2.gz AXEYGGXOCYAMGX-UHFFFAOYSA-N 0 0 334.420 3.154 10 5 EGBERN Nc1nc(SCc2c(Cl)ccc3cccnc32)ncc1[N+](=O)[O-] ZINC001166211828 1383402778 /nfs/dbraw/zinc/40/27/78/1383402778.db2.gz MFZSVBKZEMTMIJ-UHFFFAOYSA-N 0 0 347.787 3.461 10 5 EGBERN COC(=O)c1cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2s1 ZINC001298572724 1383411708 /nfs/dbraw/zinc/41/17/08/1383411708.db2.gz FSWLFFDGGIUDKJ-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN C[C@@]1(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(F)F ZINC001167189410 1383562342 /nfs/dbraw/zinc/56/23/42/1383562342.db2.gz ZBJQPNYQLILQSO-CYBMUJFWSA-N 0 0 332.734 3.342 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2ncccc21 ZINC001299931619 1383635538 /nfs/dbraw/zinc/63/55/38/1383635538.db2.gz CMRATCMCFJORFS-UHFFFAOYSA-N 0 0 343.289 3.351 10 5 EGBERN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167477992 1383646061 /nfs/dbraw/zinc/64/60/61/1383646061.db2.gz JMFDRKAHVOUJJU-WDEREUQCSA-N 0 0 325.796 3.307 10 5 EGBERN C[C@]1(C2CCCCC2)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001302916322 1383772855 /nfs/dbraw/zinc/77/28/55/1383772855.db2.gz LHRRHOFWDBMGOS-FUHWJXTLSA-N 0 0 332.400 3.200 10 5 EGBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1F ZINC001303406001 1383797587 /nfs/dbraw/zinc/79/75/87/1383797587.db2.gz MKDYQFPBEWCZAM-RXMQYKEDSA-N 0 0 347.133 3.255 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2nc3c([nH]2)CCCC3)cc1[N+](=O)[O-] ZINC001304055314 1383826200 /nfs/dbraw/zinc/82/62/00/1383826200.db2.gz AHVYGLVMHAIYFZ-UHFFFAOYSA-N 0 0 348.790 3.089 10 5 EGBERN CC[C@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001304738954 1383853753 /nfs/dbraw/zinc/85/37/53/1383853753.db2.gz VGOBHPGPVADNMF-HNNXBMFYSA-N 0 0 329.331 3.423 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nccnc1F ZINC001306919145 1383920467 /nfs/dbraw/zinc/92/04/67/1383920467.db2.gz YFLWBDVRFMHPQI-UHFFFAOYSA-N 0 0 345.256 3.067 10 5 EGBERN Cc1nc(-c2ccc3c(c2)CCN3c2c([N+](=O)[O-])cnn2C)cs1 ZINC001306919262 1383920637 /nfs/dbraw/zinc/92/06/37/1383920637.db2.gz KACFLMYIHYGQGS-UHFFFAOYSA-N 0 0 341.396 3.454 10 5 EGBERN Cc1ccc(CCC2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001306922587 1383921309 /nfs/dbraw/zinc/92/13/09/1383921309.db2.gz PYMLUVFIDPPNIE-UHFFFAOYSA-N 0 0 328.416 3.486 10 5 EGBERN CC(C)Oc1nc(N[C@@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001306959835 1383926544 /nfs/dbraw/zinc/92/65/44/1383926544.db2.gz KLTRRRGNRYRQTO-HIFRSBDPSA-N 0 0 345.399 3.354 10 5 EGBERN CCc1nnc(NCCCNc2ccc(C)cc2[N+](=O)[O-])nc1CC ZINC001306973049 1383928694 /nfs/dbraw/zinc/92/86/94/1383928694.db2.gz BRYNCRSDKPRUQS-UHFFFAOYSA-N 0 0 344.419 3.127 10 5 EGBERN COC1CCC(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306990200 1383930631 /nfs/dbraw/zinc/93/06/31/1383930631.db2.gz JHEGCWJLXPJIGS-UHFFFAOYSA-N 0 0 333.363 3.321 10 5 EGBERN C[C@H]1C[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC001307000007 1383931808 /nfs/dbraw/zinc/93/18/08/1383931808.db2.gz RTOGZEKBYOXFSI-VHSXEESVSA-N 0 0 340.221 3.394 10 5 EGBERN O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC001307071227 1383935956 /nfs/dbraw/zinc/93/59/56/1383935956.db2.gz SPAOOTYXHPBMLJ-AWEZNQCLSA-N 0 0 347.321 3.481 10 5 EGBERN Cc1sc(CCNc2nn(C)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC001307068949 1383936205 /nfs/dbraw/zinc/93/62/05/1383936205.db2.gz MRMBREMTTUSYKE-UHFFFAOYSA-N 0 0 343.412 3.415 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001307137939 1383944234 /nfs/dbraw/zinc/94/42/34/1383944234.db2.gz FNEPHESDINPJFC-HYXAFXHYSA-N 0 0 347.758 3.442 10 5 EGBERN COC(=O)[C@@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC001307143315 1383944972 /nfs/dbraw/zinc/94/49/72/1383944972.db2.gz GKSDKCOEDIZJCG-GFCCVEGCSA-N 0 0 343.177 3.111 10 5 EGBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001307147587 1383945821 /nfs/dbraw/zinc/94/58/21/1383945821.db2.gz YJPVFKRWEJGJFP-RYUDHWBXSA-N 0 0 326.418 3.235 10 5 EGBERN C[C@@H](O)[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001307157128 1383947910 /nfs/dbraw/zinc/94/79/10/1383947910.db2.gz MLAGZTFKEYBQME-RFAUZJTJSA-N 0 0 330.319 3.144 10 5 EGBERN CCc1cc(N[C@H]2C[C@H](SC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307176540 1383950972 /nfs/dbraw/zinc/95/09/72/1383950972.db2.gz BECSHQHDNPXFNL-CTYIDZIISA-N 0 0 344.440 3.342 10 5 EGBERN Cc1cc(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])nn1C ZINC001307204309 1383955971 /nfs/dbraw/zinc/95/59/71/1383955971.db2.gz PXDZNXOJQCURHJ-UHFFFAOYSA-N 0 0 328.294 3.310 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCOc4cc(F)ccc43)c2c1 ZINC001307218498 1383958510 /nfs/dbraw/zinc/95/85/10/1383958510.db2.gz ZKMBUGOVWINGIZ-UHFFFAOYSA-N 0 0 326.287 3.208 10 5 EGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2cccnc2C(F)(F)F)c1 ZINC001307295498 1383967072 /nfs/dbraw/zinc/96/70/72/1383967072.db2.gz YBLFEZADAHECRW-UHFFFAOYSA-N 0 0 326.230 3.400 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccns1 ZINC001307293773 1383967491 /nfs/dbraw/zinc/96/74/91/1383967491.db2.gz QWVMOWAHBPNJBR-UHFFFAOYSA-N 0 0 332.259 3.332 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CS(=O)(=O)c1ccccc1Cl ZINC001307311485 1383969959 /nfs/dbraw/zinc/96/99/59/1383969959.db2.gz UNIWWRRKOFADHW-UHFFFAOYSA-N 0 0 329.736 3.361 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@H]1CC2(CO1)CCCCC2 ZINC001307340790 1383973515 /nfs/dbraw/zinc/97/35/15/1383973515.db2.gz DOQMDZPGMHENJB-LLVKDONJSA-N 0 0 349.412 3.106 10 5 EGBERN CCn1nc(C)c(COc2cc(Cl)c([N+](=O)[O-])cc2Cl)n1 ZINC001307402546 1383984087 /nfs/dbraw/zinc/98/40/87/1383984087.db2.gz VPVCFQJIDWWLNZ-UHFFFAOYSA-N 0 0 331.159 3.400 10 5 EGBERN CC1(C)Cc2ccccc2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001307976169 1384067842 /nfs/dbraw/zinc/06/78/42/1384067842.db2.gz RRNVOSIQPOYXHR-UHFFFAOYSA-N 0 0 325.368 3.375 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001170111498 1384237723 /nfs/dbraw/zinc/23/77/23/1384237723.db2.gz GQSYPDVRQOAKLK-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN Cc1ccc(CNC(=O)NCCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001312507894 1384353733 /nfs/dbraw/zinc/35/37/33/1384353733.db2.gz FUQPRZOTRUZWCZ-UHFFFAOYSA-N 0 0 349.337 3.223 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001312607868 1384359978 /nfs/dbraw/zinc/35/99/78/1384359978.db2.gz IGCVIPKCGAXELJ-QLFBSQMISA-N 0 0 348.447 3.378 10 5 EGBERN CC[C@@H]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001312714684 1384367038 /nfs/dbraw/zinc/36/70/38/1384367038.db2.gz PFJUBJXBJIIXSA-KGLIPLIRSA-N 0 0 347.415 3.194 10 5 EGBERN CC[C@@H](C)CONC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312765530 1384369755 /nfs/dbraw/zinc/36/97/55/1384369755.db2.gz NQHZMFPGXRIONE-HIFRSBDPSA-N 0 0 335.404 3.462 10 5 EGBERN Cc1noc([C@@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C(C)C)n1 ZINC001313238467 1384404652 /nfs/dbraw/zinc/40/46/52/1384404652.db2.gz ZXJFKYAVMRQZQG-HZMBPMFUSA-N 0 0 347.375 3.044 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001313281514 1384406983 /nfs/dbraw/zinc/40/69/83/1384406983.db2.gz SAGKGMVUZAODDO-WBMJQRKESA-N 0 0 343.387 3.316 10 5 EGBERN Cc1noc([C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001313278959 1384407173 /nfs/dbraw/zinc/40/71/73/1384407173.db2.gz BEUIVDXLKHHUMF-YGRLFVJLSA-N 0 0 347.375 3.044 10 5 EGBERN CN(CCNC(=O)C1(C)C(C)(C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001316593885 1384462897 /nfs/dbraw/zinc/46/28/97/1384462897.db2.gz DRLJVIYJTUUESG-UHFFFAOYSA-N 0 0 333.432 3.220 10 5 EGBERN C[C@@](CO)(NC(=O)C=C1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001171452211 1384527074 /nfs/dbraw/zinc/52/70/74/1384527074.db2.gz NSWVLVZFOANRKV-IBGZPJMESA-N 0 0 346.427 3.445 10 5 EGBERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1Br ZINC001335885985 1388959122 /nfs/dbraw/zinc/95/91/22/1388959122.db2.gz UVNJVHZFDUWUSK-DDFAGTSDSA-N 0 0 343.221 3.091 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H](CO)c1ccccc1 ZINC001175823452 1385414142 /nfs/dbraw/zinc/41/41/42/1385414142.db2.gz WQEHWDVAJLPYGD-OAHLLOKOSA-N 0 0 348.786 3.444 10 5 EGBERN CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001317730181 1385428522 /nfs/dbraw/zinc/42/85/22/1385428522.db2.gz LJFFATGDPWTTLI-NOWHLAJFSA-N 0 0 343.427 3.126 10 5 EGBERN CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001177252178 1385885695 /nfs/dbraw/zinc/88/56/95/1385885695.db2.gz MHRVEJJTEKXLQO-HOCLYGCPSA-N 0 0 348.786 3.490 10 5 EGBERN C[C@H]1CCC[C@@H]1CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177680686 1386021658 /nfs/dbraw/zinc/02/16/58/1386021658.db2.gz BMPCJALEZDPAEN-QWHCGFSZSA-N 0 0 344.415 3.346 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001177806381 1386051695 /nfs/dbraw/zinc/05/16/95/1386051695.db2.gz OZQHTVJQJUJFDC-UHFFFAOYSA-N 0 0 341.154 3.295 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(N)=O)c(F)c1 ZINC001179473160 1386491376 /nfs/dbraw/zinc/49/13/76/1386491376.db2.gz PUYWMTVIJRHFGD-XFFZJAGNSA-N 0 0 329.331 3.348 10 5 EGBERN Cc1ccc2n[nH]nc2c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001180764680 1386872050 /nfs/dbraw/zinc/87/20/50/1386872050.db2.gz IGFDIJSFOJTRPR-UHFFFAOYSA-N 0 0 345.746 3.009 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1COCC3)CC2 ZINC001329248446 1389034614 /nfs/dbraw/zinc/03/46/14/1389034614.db2.gz HDBOQKAJHMCXOZ-UHFFFAOYSA-N 0 0 338.363 3.179 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC001330678665 1389495053 /nfs/dbraw/zinc/49/50/53/1389495053.db2.gz TWGJYYSFSPAWKL-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN O=C(NCCC1SCCS1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001331145404 1389636917 /nfs/dbraw/zinc/63/69/17/1389636917.db2.gz AIQGAQXBRQYMGO-UHFFFAOYSA-N 0 0 337.426 3.002 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001332003693 1389941448 /nfs/dbraw/zinc/94/14/48/1389941448.db2.gz GXEPEOSGQJMNLK-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN CCc1ccc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001339308303 1389984172 /nfs/dbraw/zinc/98/41/72/1389984172.db2.gz IPOHGPFAHCEMCG-SJLPKXTDSA-N 0 0 332.400 3.188 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(CCOCCOc1ccccc1)C2 ZINC001339646111 1390095545 /nfs/dbraw/zinc/09/55/45/1390095545.db2.gz WYLNBICCPJBAHR-UHFFFAOYSA-N 0 0 328.368 3.006 10 5 EGBERN COc1cncc(/C=C/CCSCCn2cc([N+](=O)[O-])cn2)c1 ZINC001332412349 1390109163 /nfs/dbraw/zinc/10/91/63/1390109163.db2.gz BJKUJRUEYGSNTA-DUXPYHPUSA-N 0 0 334.401 3.032 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001333370943 1390291687 /nfs/dbraw/zinc/29/16/87/1390291687.db2.gz XMGZMTJRONAWLZ-FKTZTGRPSA-N 0 0 346.280 3.171 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC001341474278 1390491328 /nfs/dbraw/zinc/49/13/28/1390491328.db2.gz IJRBTTORKCVKFF-UHFFFAOYSA-N 0 0 339.307 3.391 10 5 EGBERN COc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c(F)c1OC ZINC001334342309 1390520574 /nfs/dbraw/zinc/52/05/74/1390520574.db2.gz KJBVHQSYPKRHND-UHFFFAOYSA-N 0 0 334.347 3.383 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001334346384 1390521558 /nfs/dbraw/zinc/52/15/58/1390521558.db2.gz APMRKVSHSKNWNV-HNNXBMFYSA-N 0 0 337.379 3.220 10 5 EGBERN C[C@@H](NC(=O)C1(C)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001334855705 1390605950 /nfs/dbraw/zinc/60/59/50/1390605950.db2.gz SENQALHWQDNQRT-CYBMUJFWSA-N 0 0 348.399 3.095 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001343930162 1390744981 /nfs/dbraw/zinc/74/49/81/1390744981.db2.gz RHJKYIHYZJAXQK-CYBMUJFWSA-N 0 0 333.731 3.273 10 5 EGBERN O=C(O[C@H]1C[C@@H](OCC(F)F)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001344210947 1390771822 /nfs/dbraw/zinc/77/18/22/1390771822.db2.gz YUQCCGCSPGZGHA-CRWXNKLISA-N 0 0 341.310 3.054 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CCC2(COC2)C1 ZINC001344852558 1390819243 /nfs/dbraw/zinc/81/92/43/1390819243.db2.gz AJJZIYLABUXHSY-UHFFFAOYSA-N 0 0 327.340 3.002 10 5 EGBERN C[C@@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001344930872 1390825517 /nfs/dbraw/zinc/82/55/17/1390825517.db2.gz PORJCPGEXLEJKN-LBPRGKRZSA-N 0 0 339.413 3.293 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(-c2csc(C)n2)s1 ZINC001344996740 1390829532 /nfs/dbraw/zinc/82/95/32/1390829532.db2.gz AGBSIVLTLUZADP-SECBINFHSA-N 0 0 326.399 3.392 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOCC12CCCC2 ZINC001345721018 1390880149 /nfs/dbraw/zinc/88/01/49/1390880149.db2.gz YSCIFIZCGHLHFV-HNNXBMFYSA-N 0 0 333.388 3.374 10 5 EGBERN COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC001346301404 1390920525 /nfs/dbraw/zinc/92/05/25/1390920525.db2.gz ZZGXJUIJZRJKJB-CLYYMRHHSA-N 0 0 337.401 3.152 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCO1 ZINC001346500904 1390947003 /nfs/dbraw/zinc/94/70/03/1390947003.db2.gz QJIMPQCWLZDLPM-CQSZACIVSA-N 0 0 339.367 3.403 10 5 EGBERN O=C(C[C@@H]1CCCC1(F)F)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001346708010 1390972300 /nfs/dbraw/zinc/97/23/00/1390972300.db2.gz XWAQLBGHVULDGM-VIFPVBQESA-N 0 0 343.282 3.097 10 5 EGBERN COc1cccc2c1[C@H](C(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001347678968 1391110401 /nfs/dbraw/zinc/11/04/01/1391110401.db2.gz TZEQTOMFRFJQHW-MRXNPFEDSA-N 0 0 338.363 3.176 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001347716630 1391114714 /nfs/dbraw/zinc/11/47/14/1391114714.db2.gz NVHUAZUOBVPDKY-HUUCEWRRSA-N 0 0 349.387 3.169 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001347835679 1391132532 /nfs/dbraw/zinc/13/25/32/1391132532.db2.gz XNGJGOQWUWFPBC-BBBLOLIVSA-N 0 0 330.718 3.412 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348243757 1391190867 /nfs/dbraw/zinc/19/08/67/1391190867.db2.gz GMUYBEQVFHJEAH-AWEZNQCLSA-N 0 0 340.379 3.351 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001348666942 1391251279 /nfs/dbraw/zinc/25/12/79/1391251279.db2.gz PHMVVRMYUURMJN-KRWDZBQOSA-N 0 0 326.352 3.199 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001348764455 1391263622 /nfs/dbraw/zinc/26/36/22/1391263622.db2.gz ILSUZYJDEHFIBT-SJORKVTESA-N 0 0 344.342 3.072 10 5 EGBERN CN(CCOc1ccc(F)cc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001349206425 1391310809 /nfs/dbraw/zinc/31/08/09/1391310809.db2.gz RQMKCRRWKLYUOE-UHFFFAOYSA-N 0 0 336.294 3.024 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2cnccc2n1 ZINC001349536724 1391338735 /nfs/dbraw/zinc/33/87/35/1391338735.db2.gz OHGNJOYYLLTVRJ-UHFFFAOYSA-N 0 0 330.250 3.069 10 5 EGBERN CCC[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349621311 1391345830 /nfs/dbraw/zinc/34/58/30/1391345830.db2.gz ZFQPOAMTKQOHAC-CRAIPNDOSA-N 0 0 345.443 3.460 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001350299317 1391443136 /nfs/dbraw/zinc/44/31/36/1391443136.db2.gz PCNUFTFNJRULQV-HCYCVZQXSA-N 0 0 343.408 3.471 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc2ccc(F)cc21 ZINC001350443325 1391465149 /nfs/dbraw/zinc/46/51/49/1391465149.db2.gz DHHKOYZNQQQRNK-UHFFFAOYSA-N 0 0 343.314 3.336 10 5 EGBERN Nc1c(NC(=O)N[C@@H]2CCC[C@H](F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC001350614172 1391490170 /nfs/dbraw/zinc/49/01/70/1391490170.db2.gz BQSQZYCHVDYFKI-DTWKUNHWSA-N 0 0 330.747 3.233 10 5 EGBERN COc1ccccc1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001350880347 1391549711 /nfs/dbraw/zinc/54/97/11/1391549711.db2.gz UBPCHJVVKVRZED-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1sccc1F ZINC001351104760 1391597930 /nfs/dbraw/zinc/59/79/30/1391597930.db2.gz WZYVEVYTYFEGDY-UHFFFAOYSA-N 0 0 338.316 3.209 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001351241828 1391615444 /nfs/dbraw/zinc/61/54/44/1391615444.db2.gz UOLPSKCTGNHCMW-UHFFFAOYSA-N 0 0 345.330 3.264 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccn2c1nc(C)cc2C ZINC001351284774 1391621338 /nfs/dbraw/zinc/62/13/38/1391621338.db2.gz HBBONOGNWZVRRP-UHFFFAOYSA-N 0 0 341.323 3.087 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001351329860 1391627489 /nfs/dbraw/zinc/62/74/89/1391627489.db2.gz WXAMIJBHLCSNSV-SNVBAGLBSA-N 0 0 343.314 3.189 10 5 EGBERN CCO[C@@H](COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC001351442523 1391639586 /nfs/dbraw/zinc/63/95/86/1391639586.db2.gz PKJULPZKTXALBN-INIZCTEOSA-N 0 0 334.372 3.141 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2OC(F)(F)F)n1 ZINC001351573349 1391652943 /nfs/dbraw/zinc/65/29/43/1391652943.db2.gz TZGMQUIENGKSMN-UHFFFAOYSA-N 0 0 341.245 3.449 10 5 EGBERN O=C(Cn1ccc2ccc(F)cc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001352604232 1391821132 /nfs/dbraw/zinc/82/11/32/1391821132.db2.gz IAUGWDMZOMGACI-UHFFFAOYSA-N 0 0 339.326 3.278 10 5 EGBERN CN(C(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001352628304 1391826565 /nfs/dbraw/zinc/82/65/65/1391826565.db2.gz ZAPBMOFUZSSIKW-UHFFFAOYSA-N 0 0 340.314 3.196 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC001353406936 1392004972 /nfs/dbraw/zinc/00/49/72/1392004972.db2.gz WSFAFQCIUJVJRI-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN Cc1c(OC(=O)c2c(Cl)nn(C)c2Cl)cccc1[N+](=O)[O-] ZINC001354884299 1392174844 /nfs/dbraw/zinc/17/48/44/1392174844.db2.gz VEHSJGNBIZUMEO-UHFFFAOYSA-N 0 0 330.127 3.163 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOc2c(F)cccc21 ZINC001355002532 1392184673 /nfs/dbraw/zinc/18/46/73/1392184673.db2.gz AIMKVVKYWFFCIK-LLVKDONJSA-N 0 0 334.278 3.378 10 5 EGBERN CN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001355015563 1392185952 /nfs/dbraw/zinc/18/59/52/1392185952.db2.gz JTRJHZCOHRPRCP-OAHLLOKOSA-N 0 0 333.775 3.490 10 5 EGBERN Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1-c1ccc(F)cc1 ZINC001355067293 1392190865 /nfs/dbraw/zinc/19/08/65/1392190865.db2.gz UHPVTVFNQXFCOI-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN COc1cc(C(=O)Nc2ccc3nc(C)oc3c2)c([N+](=O)[O-])cc1F ZINC001355085925 1392192195 /nfs/dbraw/zinc/19/21/95/1392192195.db2.gz GFZCNOOHXFIBDT-UHFFFAOYSA-N 0 0 345.286 3.444 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccn2)nc1 ZINC001355121023 1392195029 /nfs/dbraw/zinc/19/50/29/1392195029.db2.gz ZYGJWGABBDSBSJ-UHFFFAOYSA-N 0 0 335.319 3.409 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC1(C)C)C1CC1 ZINC001503413152 1396252773 /nfs/dbraw/zinc/25/27/73/1396252773.db2.gz OARSFKRGEFDIMV-CYBMUJFWSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@H](CNC(=O)NOCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001687732211 1396474098 /nfs/dbraw/zinc/47/40/98/1396474098.db2.gz FAODCEVPGZECIA-GFCCVEGCSA-N 0 0 347.346 3.268 10 5 EGBERN C[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001687732316 1396474301 /nfs/dbraw/zinc/47/43/01/1396474301.db2.gz HKOASMJWKKSVNS-ZDUSSCGKSA-N 0 0 349.431 3.297 10 5 EGBERN C/C=C(/C)C(=O)N(C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001690020789 1404260860 /nfs/dbraw/zinc/26/08/60/1404260860.db2.gz WQMHFJRBNKJTTC-QCDXTXTGSA-N 0 0 337.445 3.045 10 5 EGBERN C[C@H]1CC[C@H](C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001690990346 1404907616 /nfs/dbraw/zinc/90/76/16/1404907616.db2.gz WYDABYLCMJEJKV-MQMHXKEQSA-N 0 0 339.461 3.031 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693605217 1406028913 /nfs/dbraw/zinc/02/89/13/1406028913.db2.gz YTUZURVHFNQDSA-OCCSQVGLSA-N 0 0 327.388 3.110 10 5 EGBERN CCCCn1c(CC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001709628814 1417444422 /nfs/dbraw/zinc/44/44/22/1417444422.db2.gz KQFYRNINAOSFNF-UHFFFAOYSA-N 0 0 329.404 3.112 10 5 EGBERN CCC1(C(=O)NCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001713560249 1418358978 /nfs/dbraw/zinc/35/89/78/1418358978.db2.gz AWWDWWCEXYEMMY-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CCC(C)(CC)C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001716016124 1420470097 /nfs/dbraw/zinc/47/00/97/1420470097.db2.gz YINDHSNMAZIPFO-UHFFFAOYSA-N 0 0 335.448 3.311 10 5 EGBERN CC(C)CC(=O)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001734547051 1438142698 /nfs/dbraw/zinc/14/26/98/1438142698.db2.gz NHMMHJHPDUHIGN-UHFFFAOYSA-N 0 0 335.448 3.310 10 5 EGBERN CC/C(C)=C\C(=O)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624482 1438190504 /nfs/dbraw/zinc/19/05/04/1438190504.db2.gz WRRJRKVAGVNHCY-JYRVWZFOSA-N 0 0 349.456 3.261 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1Cc1ccsc1 ZINC001762515942 1441375935 /nfs/dbraw/zinc/37/59/35/1441375935.db2.gz PZJHJBUBEHWGHW-UHFFFAOYSA-N 0 0 343.412 3.241 10 5 EGBERN CCCn1c(C2CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001764384712 1441389590 /nfs/dbraw/zinc/38/95/90/1441389590.db2.gz SXGMHFPJXKDFQR-UHFFFAOYSA-N 0 0 327.388 3.036 10 5 EGBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1)C1CC1 ZINC001768534798 1441407822 /nfs/dbraw/zinc/40/78/22/1441407822.db2.gz JNPVOSTVTDDLBK-UHFFFAOYSA-N 0 0 327.388 3.252 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000368242275 168330778 /nfs/dbraw/zinc/33/07/78/168330778.db2.gz IQAGAJPVSZTIQM-PBHICJAKSA-N 0 0 344.342 3.384 10 5 EGBERN Cc1ccnc(Sc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000051332134 214089978 /nfs/dbraw/zinc/08/99/78/214089978.db2.gz QUNJQBNQEJCWMJ-UHFFFAOYSA-N 0 0 327.163 3.002 10 5 EGBERN Cc1cccc(C)c1NC(=O)CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000054152843 214221122 /nfs/dbraw/zinc/22/11/22/214221122.db2.gz JVVNRHXGPWYXJS-UHFFFAOYSA-N 0 0 333.413 3.344 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000130851569 529760363 /nfs/dbraw/zinc/76/03/63/529760363.db2.gz ZZSJHLILCULAQC-OAHLLOKOSA-N 0 0 343.387 3.223 10 5 EGBERN Cc1ccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004508026 210208709 /nfs/dbraw/zinc/20/87/09/210208709.db2.gz OGBSYZYAPOCKGW-ZSOIEALJSA-N 0 0 326.283 3.387 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC23CCOCC3)c(Br)c1 ZINC000369723392 168468819 /nfs/dbraw/zinc/46/88/19/168468819.db2.gz WLDOTCYGMBZXPQ-UHFFFAOYSA-N 0 0 327.178 3.117 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)n1 ZINC000371134832 168567484 /nfs/dbraw/zinc/56/74/84/168567484.db2.gz VPFOHWGTLPJZBN-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN COc1ccc(S[C@@H](C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000067168842 215120714 /nfs/dbraw/zinc/12/07/14/215120714.db2.gz ZXWSHUDAIGIAEA-JTQLQIEISA-N 0 0 333.369 3.118 10 5 EGBERN Cc1ccc(Oc2ncnc(-n3nnc4ccccc43)c2[N+](=O)[O-])cc1 ZINC000040659831 213365800 /nfs/dbraw/zinc/36/58/00/213365800.db2.gz HSEKUFYEHWVWLX-UHFFFAOYSA-N 0 0 348.322 3.219 10 5 EGBERN CCOc1ccccc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040659932 213364747 /nfs/dbraw/zinc/36/47/47/213364747.db2.gz WVJNXKMGXIOGNC-UHFFFAOYSA-N 0 0 346.391 3.242 10 5 EGBERN COc1ccccc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040648437 213363386 /nfs/dbraw/zinc/36/33/86/213363386.db2.gz OSKUGMKAHCCASY-UHFFFAOYSA-N 0 0 329.360 3.492 10 5 EGBERN O=[N+]([O-])c1c(Nc2cccc3ccccc32)ncnc1-n1ccnc1 ZINC000040627441 213361057 /nfs/dbraw/zinc/36/10/57/213361057.db2.gz MLAPNBGIRWIQOF-UHFFFAOYSA-N 0 0 332.323 3.467 10 5 EGBERN CCCCc1ccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])cc1 ZINC000040581166 213354021 /nfs/dbraw/zinc/35/40/21/213354021.db2.gz XZDAQABPAVWOGP-UHFFFAOYSA-N 0 0 330.392 3.360 10 5 EGBERN O=[N+]([O-])c1c(NCCc2cccs2)ncnc1N1CCCCCC1 ZINC000040610165 213358171 /nfs/dbraw/zinc/35/81/71/213358171.db2.gz HIQBQOJPTYOARF-UHFFFAOYSA-N 0 0 347.444 3.481 10 5 EGBERN Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000181627982 234258988 /nfs/dbraw/zinc/25/89/88/234258988.db2.gz BJTISWDYGIHBOD-UHFFFAOYSA-N 0 0 342.277 3.304 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc([N+](=O)[O-])cn2)C1 ZINC000040434879 213304214 /nfs/dbraw/zinc/30/42/14/213304214.db2.gz VDSNKAVVLFWMIZ-LBPRGKRZSA-N 0 0 337.376 3.016 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000132265942 283038654 /nfs/dbraw/zinc/03/86/54/283038654.db2.gz WHHIYBXHVOINDR-HOTGVXAUSA-N 0 0 349.431 3.354 10 5 EGBERN CC(C)CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037975664 213178943 /nfs/dbraw/zinc/17/89/43/213178943.db2.gz OORIZLHUMGGDNM-JTQLQIEISA-N 0 0 334.825 3.351 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000187656352 236270006 /nfs/dbraw/zinc/27/00/06/236270006.db2.gz WQGILXVWYZRALA-UHFFFAOYSA-N 0 0 330.306 3.247 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(NCCc2nccn2Cc2ccccc2)c1 ZINC000193381419 240139761 /nfs/dbraw/zinc/13/97/61/240139761.db2.gz SYLQDGYMMKWGFJ-UHFFFAOYSA-N 0 0 337.383 3.076 10 5 EGBERN CN(c1ccccc1)c1ncnc(NCc2ccco2)c1[N+](=O)[O-] ZINC000040625299 213361295 /nfs/dbraw/zinc/36/12/95/213361295.db2.gz TYHOOONLDILYJB-UHFFFAOYSA-N 0 0 325.328 3.358 10 5 EGBERN O=C(Nc1ccc(C2CCC2)cn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360069363 284299388 /nfs/dbraw/zinc/29/93/88/284299388.db2.gz OKPRQLRSTSKZKT-UHFFFAOYSA-N 0 0 337.339 3.386 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000111700448 220182001 /nfs/dbraw/zinc/18/20/01/220182001.db2.gz GEARIKBSMSUZDN-HNNXBMFYSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000378388637 169112590 /nfs/dbraw/zinc/11/25/90/169112590.db2.gz OSOAONYTYCJQBK-AEFFLSMTSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000408199848 169164689 /nfs/dbraw/zinc/16/46/89/169164689.db2.gz XIYSBRAXPPECDX-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCOc1ccc(F)cc1 ZINC000012522701 211397593 /nfs/dbraw/zinc/39/75/93/211397593.db2.gz HFDOYFOSABBRGI-UHFFFAOYSA-N 0 0 348.330 3.036 10 5 EGBERN O=C(NC1CC1)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000012257099 211330299 /nfs/dbraw/zinc/33/02/99/211330299.db2.gz OSCRRWDVDCEICQ-INIZCTEOSA-N 0 0 330.315 3.133 10 5 EGBERN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000008943617 211021607 /nfs/dbraw/zinc/02/16/07/211021607.db2.gz HJZCKNCTCQFFCT-AWEZNQCLSA-N 0 0 335.747 3.103 10 5 EGBERN O=C(CCCc1nc(-c2ccco2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000008673529 210979266 /nfs/dbraw/zinc/97/92/66/210979266.db2.gz XUIKXVRCWWPTID-UHFFFAOYSA-N 0 0 342.311 3.199 10 5 EGBERN CC(C)c1cc(CNc2c(Br)cncc2[N+](=O)[O-])on1 ZINC000095980555 218485835 /nfs/dbraw/zinc/48/58/35/218485835.db2.gz VZKKAWGFNSRVQG-UHFFFAOYSA-N 0 0 341.165 3.476 10 5 EGBERN COC(=O)c1cc(N(C)C2CCC(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000268498288 251968823 /nfs/dbraw/zinc/96/88/23/251968823.db2.gz QZDBGEWCTSJOIM-UHFFFAOYSA-N 0 0 336.388 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)cn1 ZINC000356793042 285121123 /nfs/dbraw/zinc/12/11/23/285121123.db2.gz LZQFHLOHVDQQNG-UHFFFAOYSA-N 0 0 339.351 3.055 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000118735831 221175901 /nfs/dbraw/zinc/17/59/01/221175901.db2.gz WWMBSUBYBRGIMQ-SECBINFHSA-N 0 0 344.396 3.342 10 5 EGBERN CCOc1ccccc1OC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000057140936 132198665 /nfs/dbraw/zinc/19/86/65/132198665.db2.gz WVHLEVYSNBENSL-UHFFFAOYSA-N 0 0 343.383 3.436 10 5 EGBERN Cc1nn(C)c(C)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000183682120 140997958 /nfs/dbraw/zinc/99/79/58/140997958.db2.gz AIELCDBDFJFLKK-UHFFFAOYSA-N 0 0 339.355 3.054 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-n2cccc2)ccn1 ZINC000341198834 141137255 /nfs/dbraw/zinc/13/72/55/141137255.db2.gz XSXOLGLCYAZPJP-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000348175374 141244837 /nfs/dbraw/zinc/24/48/37/141244837.db2.gz SJZMOPMXEAGNLK-CQSZACIVSA-N 0 0 345.330 3.405 10 5 EGBERN CC(C)[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000352964588 141278958 /nfs/dbraw/zinc/27/89/58/141278958.db2.gz ZEJFYKXAMYJFPR-INIZCTEOSA-N 0 0 343.362 3.264 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000356298596 141338535 /nfs/dbraw/zinc/33/85/35/141338535.db2.gz MFGRMMSZJMUNDA-INIZCTEOSA-N 0 0 338.367 3.281 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCCO[C@H]1CCCc2ccccc21 ZINC000356326370 141341552 /nfs/dbraw/zinc/34/15/52/141341552.db2.gz NYNGZZYJULYNJI-SFHVURJKSA-N 0 0 327.384 3.308 10 5 EGBERN C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccccc1[N+](=O)[O-] ZINC000356332775 141342378 /nfs/dbraw/zinc/34/23/78/141342378.db2.gz PHNKGPPRWFMIDD-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000363392143 141453289 /nfs/dbraw/zinc/45/32/89/141453289.db2.gz CQTIVZFRELSHFJ-CYBMUJFWSA-N 0 0 329.331 3.067 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000172838195 144029859 /nfs/dbraw/zinc/02/98/59/144029859.db2.gz UMWDJWFUIMRADK-JTQLQIEISA-N 0 0 349.774 3.149 10 5 EGBERN Cc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172959661 144032026 /nfs/dbraw/zinc/03/20/26/144032026.db2.gz BTBUIRNUDYZXKK-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccn1 ZINC000184887182 144100465 /nfs/dbraw/zinc/10/04/65/144100465.db2.gz SPYXKGKCTPEZGC-MRXNPFEDSA-N 0 0 341.411 3.308 10 5 EGBERN CC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000351840399 144314881 /nfs/dbraw/zinc/31/48/81/144314881.db2.gz FNLNDMUWMNEATC-CYBMUJFWSA-N 0 0 328.324 3.205 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000364095192 144392276 /nfs/dbraw/zinc/39/22/76/144392276.db2.gz BEULRHNWQQOSFR-LLVKDONJSA-N 0 0 336.373 3.105 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000374963095 144563784 /nfs/dbraw/zinc/56/37/84/144563784.db2.gz FTBVWQOOSAUBDH-UHFFFAOYSA-N 0 0 326.352 3.436 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000341282866 155229158 /nfs/dbraw/zinc/22/91/58/155229158.db2.gz ONZVUDOFQIKYBY-ZDUSSCGKSA-N 0 0 348.362 3.498 10 5 EGBERN CCOC(=O)c1ccnc(N(CC(F)F)CC2CCC2)c1[N+](=O)[O-] ZINC000341333997 155236682 /nfs/dbraw/zinc/23/66/82/155236682.db2.gz GUASSVYRIBPBNE-UHFFFAOYSA-N 0 0 343.330 3.038 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341558473 292243489 /nfs/dbraw/zinc/24/34/89/292243489.db2.gz ZJRFASOIGAJGDV-KBXCAEBGSA-N 0 0 347.415 3.176 10 5 EGBERN Cc1ncc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C2CC2)n1 ZINC000341490470 155322039 /nfs/dbraw/zinc/32/20/39/155322039.db2.gz SPOWGJGGZZGMLQ-SECBINFHSA-N 0 0 344.346 3.452 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cc([N+](=O)[O-])ccc3C)c2c1C ZINC000118199133 152128226 /nfs/dbraw/zinc/12/82/26/152128226.db2.gz YKVNSZXNBWMQEB-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000121380221 152347083 /nfs/dbraw/zinc/34/70/83/152347083.db2.gz HAYZLGCTPCRIDT-QAPCUYQASA-N 0 0 339.395 3.439 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)c(Cl)c1 ZINC000176163225 152908528 /nfs/dbraw/zinc/90/85/28/152908528.db2.gz LBKJKMOYMMPDJG-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN Cc1cnc(COC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000191363750 153190875 /nfs/dbraw/zinc/19/08/75/153190875.db2.gz ZSSKGBIDVQGIBM-PIGZYNQJSA-N 0 0 342.351 3.215 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191629208 153211569 /nfs/dbraw/zinc/21/15/69/153211569.db2.gz BLMFWQLEFRDQJC-GHMZBOCLSA-N 0 0 344.820 3.024 10 5 EGBERN CCC[C@@H](NCc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000192944852 153268265 /nfs/dbraw/zinc/26/82/65/153268265.db2.gz OANNDCNLFLMFMH-OAHLLOKOSA-N 0 0 325.372 3.269 10 5 EGBERN CC(C)N(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000195311557 153394609 /nfs/dbraw/zinc/39/46/09/153394609.db2.gz ANDMEWQRSKQTCF-UHFFFAOYSA-N 0 0 333.432 3.457 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCCC[C@@H]1CO ZINC000225270998 153426494 /nfs/dbraw/zinc/42/64/94/153426494.db2.gz KHEVDZJKPKGVBV-KOLCDFICSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000230583815 153443268 /nfs/dbraw/zinc/44/32/68/153443268.db2.gz GIWFTIQWRSVHNH-NXEZZACHSA-N 0 0 344.209 3.024 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1C ZINC000337037960 292291131 /nfs/dbraw/zinc/29/11/31/292291131.db2.gz IRZBVKSYWRDICW-LBPRGKRZSA-N 0 0 348.371 3.020 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CCC[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000312731135 154153277 /nfs/dbraw/zinc/15/32/77/154153277.db2.gz JGOKHYDQMWRBSU-VHSXEESVSA-N 0 0 344.209 3.024 10 5 EGBERN CCCc1occc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000336952224 154246001 /nfs/dbraw/zinc/24/60/01/154246001.db2.gz RMKBIORTIJHGKW-UHFFFAOYSA-N 0 0 340.339 3.205 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1cc(F)cc(F)c1 ZINC000339934816 155040463 /nfs/dbraw/zinc/04/04/63/155040463.db2.gz UTERSDRXZNOWOM-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000340075578 155089420 /nfs/dbraw/zinc/08/94/20/155089420.db2.gz DVWLEUVSYZFKJS-CQSZACIVSA-N 0 0 342.355 3.125 10 5 EGBERN CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341765068 155465268 /nfs/dbraw/zinc/46/52/68/155465268.db2.gz BUKMSWUXQRXCRT-GFCCVEGCSA-N 0 0 342.351 3.054 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000343262602 155710803 /nfs/dbraw/zinc/71/08/03/155710803.db2.gz YZNIPDSWMCIZBL-SECBINFHSA-N 0 0 343.099 3.083 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000345404228 156089906 /nfs/dbraw/zinc/08/99/06/156089906.db2.gz GZRRQVSNIIZAOQ-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN Cc1c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)sc2nccn12 ZINC000348888465 156277996 /nfs/dbraw/zinc/27/79/96/156277996.db2.gz RBHGSKGJTPCBAP-UHFFFAOYSA-N 0 0 327.325 3.329 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000352771279 156476612 /nfs/dbraw/zinc/47/66/12/156476612.db2.gz NRYWDFKRTNWDMW-XJKSGUPXSA-N 0 0 339.395 3.443 10 5 EGBERN COc1cc(-c2nc([C@](C)(OC)C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000354083245 165962529 /nfs/dbraw/zinc/96/25/29/165962529.db2.gz NYSOBMUTOFZINL-MRXNPFEDSA-N 0 0 333.344 3.233 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490838 162237410 /nfs/dbraw/zinc/23/74/10/162237410.db2.gz RMGUBKTYMVDUSD-LLVKDONJSA-N 0 0 349.328 3.174 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)no1 ZINC000124408878 162259458 /nfs/dbraw/zinc/25/94/58/162259458.db2.gz BOOFJTGOLGICHQ-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC000126839264 162315001 /nfs/dbraw/zinc/31/50/01/162315001.db2.gz SBIIHYMGXFIARX-NUEKZKHPSA-N 0 0 328.755 3.316 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000338617060 163294671 /nfs/dbraw/zinc/29/46/71/163294671.db2.gz LNHPXFTULILEFN-SNVBAGLBSA-N 0 0 336.779 3.057 10 5 EGBERN CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000338728507 163333889 /nfs/dbraw/zinc/33/38/89/163333889.db2.gz NUCAHVAATFSSHE-UHFFFAOYSA-N 0 0 333.344 3.161 10 5 EGBERN CCOc1cc(N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000338838324 163360199 /nfs/dbraw/zinc/36/01/99/163360199.db2.gz CDBHEGUKDWEFQY-XYPHTWIQSA-N 0 0 346.387 3.021 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(NCCOCC(F)(F)F)c1 ZINC000340605448 163620451 /nfs/dbraw/zinc/62/04/51/163620451.db2.gz IKJGZLFTNBFAPY-UHFFFAOYSA-N 0 0 343.099 3.348 10 5 EGBERN COc1ccccc1CCN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000341979700 163753685 /nfs/dbraw/zinc/75/36/85/163753685.db2.gz FWRWASBIWXOODH-UHFFFAOYSA-N 0 0 344.396 3.287 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCc2ccccc21 ZINC000342091523 163783172 /nfs/dbraw/zinc/78/31/72/163783172.db2.gz UWPBLRJPITWSHU-GFCCVEGCSA-N 0 0 346.333 3.262 10 5 EGBERN Cc1cc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000342632116 163928524 /nfs/dbraw/zinc/92/85/24/163928524.db2.gz LVFKZDMEVLEBQO-JTQLQIEISA-N 0 0 348.790 3.398 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000343801546 164037486 /nfs/dbraw/zinc/03/74/86/164037486.db2.gz RMGVZECPINRJQQ-DIFFPNOSSA-N 0 0 338.354 3.454 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[S@](C)=O)cc2)n1 ZINC000343822651 164043740 /nfs/dbraw/zinc/04/37/40/164043740.db2.gz ZFXINVKQNSTSPX-QHCPKHFHSA-N 0 0 333.413 3.097 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000344104639 164104128 /nfs/dbraw/zinc/10/41/28/164104128.db2.gz PLLKNPXRKHKVMQ-UHFFFAOYSA-N 0 0 346.770 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(N3CCCCCC3)c2)cn1 ZINC000344424662 164176010 /nfs/dbraw/zinc/17/60/10/164176010.db2.gz UZFBXKJTCKRCRE-UHFFFAOYSA-N 0 0 327.388 3.377 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(C)ccc3C)no2)n1 ZINC000345921366 164295254 /nfs/dbraw/zinc/29/52/54/164295254.db2.gz KXAYCRGILATDFV-UHFFFAOYSA-N 0 0 327.344 3.069 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)nc21 ZINC000345940197 164300474 /nfs/dbraw/zinc/30/04/74/164300474.db2.gz XXCQDGOOYYXAHZ-UHFFFAOYSA-N 0 0 349.350 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccccc1C(C)C ZINC000346549082 164395455 /nfs/dbraw/zinc/39/54/55/164395455.db2.gz VIIVPZQJXBWMAL-UHFFFAOYSA-N 0 0 330.388 3.276 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000346639267 164409094 /nfs/dbraw/zinc/40/90/94/164409094.db2.gz DCCSKTATUITIBP-QGZVFWFLSA-N 0 0 340.379 3.419 10 5 EGBERN Cc1cncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000347290260 164474369 /nfs/dbraw/zinc/47/43/69/164474369.db2.gz MONOYYJDLBTUBE-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000347608813 164530834 /nfs/dbraw/zinc/53/08/34/164530834.db2.gz KZTTUJLUWUEMFG-AEGPPILISA-N 0 0 336.436 3.067 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347863146 164599660 /nfs/dbraw/zinc/59/96/60/164599660.db2.gz ZSMOOZJEZSDRLP-MNOVXSKESA-N 0 0 345.321 3.196 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2cc(F)cc(F)c2F)c1[N+](=O)[O-] ZINC000348140119 164647661 /nfs/dbraw/zinc/64/76/61/164647661.db2.gz QTZKSPXNMYSIFR-UHFFFAOYSA-N 0 0 328.250 3.111 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(F)ccc1OC ZINC000348504906 164757281 /nfs/dbraw/zinc/75/72/81/164757281.db2.gz DBORHJRQRXSTSL-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351642895 165111120 /nfs/dbraw/zinc/11/11/20/165111120.db2.gz HBCGOQSJYJFCGW-RISCZKNCSA-N 0 0 349.412 3.059 10 5 EGBERN CCOC(=O)c1c(C)onc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000351897996 165142565 /nfs/dbraw/zinc/14/25/65/165142565.db2.gz OBTPMVHBXGVZNE-UHFFFAOYSA-N 0 0 329.312 3.071 10 5 EGBERN COc1cc(COc2cccc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000351911777 165147137 /nfs/dbraw/zinc/14/71/37/165147137.db2.gz AVCAQVDWHPLURP-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN CN(C)c1noc(COc2ccc([N+](=O)[O-])cc2-c2cccs2)n1 ZINC000351913589 165147177 /nfs/dbraw/zinc/14/71/77/165147177.db2.gz URCAUNAWGDZOID-UHFFFAOYSA-N 0 0 346.368 3.351 10 5 EGBERN CCc1cc(=O)[nH]c(CSCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000352025994 165197128 /nfs/dbraw/zinc/19/71/28/165197128.db2.gz HYBVHTGSXORSNI-UHFFFAOYSA-N 0 0 335.385 3.095 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000352041168 165205139 /nfs/dbraw/zinc/20/51/39/165205139.db2.gz VUWFCORDKTZVGG-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN O=c1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000352363040 165363767 /nfs/dbraw/zinc/36/37/67/165363767.db2.gz YQEOFEFDJAMADJ-UHFFFAOYSA-N 0 0 346.346 3.431 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000352393313 165379211 /nfs/dbraw/zinc/37/92/11/165379211.db2.gz ZXUXEYACWRUBII-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000352786361 165497501 /nfs/dbraw/zinc/49/75/01/165497501.db2.gz BSYMLYJVAHAMEA-ZCFIWIBFSA-N 0 0 343.170 3.424 10 5 EGBERN C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000353519283 165791233 /nfs/dbraw/zinc/79/12/33/165791233.db2.gz ZVHLWMUJAHXLQS-SNVBAGLBSA-N 0 0 327.340 3.064 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000355195084 166129638 /nfs/dbraw/zinc/12/96/38/166129638.db2.gz WXYPJUQDULLOBG-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN Cc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn2ccnc12 ZINC000355425994 166195673 /nfs/dbraw/zinc/19/56/73/166195673.db2.gz DPGBAOKMNTVPPM-UHFFFAOYSA-N 0 0 346.293 3.010 10 5 EGBERN CCNC(=O)N(C)c1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000355495804 166221308 /nfs/dbraw/zinc/22/13/08/166221308.db2.gz LYPYFPZQRMJEQQ-UHFFFAOYSA-N 0 0 328.372 3.373 10 5 EGBERN Cc1nc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)ccc1[N+](=O)[O-] ZINC000355634722 166266941 /nfs/dbraw/zinc/26/69/41/166266941.db2.gz JRZCCDUXMWUONX-HNNXBMFYSA-N 0 0 341.367 3.445 10 5 EGBERN Cc1nc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)ccc1[N+](=O)[O-] ZINC000355634732 166267036 /nfs/dbraw/zinc/26/70/36/166267036.db2.gz JRZCCDUXMWUONX-OAHLLOKOSA-N 0 0 341.367 3.445 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356469303 166424647 /nfs/dbraw/zinc/42/46/47/166424647.db2.gz DYGSJTKRHOJAOK-FUHWJXTLSA-N 0 0 326.352 3.063 10 5 EGBERN CCOc1ccc(-c2nc(CCCOC(C)C)no2)cc1[N+](=O)[O-] ZINC000357287437 166636726 /nfs/dbraw/zinc/63/67/26/166636726.db2.gz VRXDGTGAWZBXFK-UHFFFAOYSA-N 0 0 335.360 3.401 10 5 EGBERN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(F)cc1F ZINC000357321814 166646210 /nfs/dbraw/zinc/64/62/10/166646210.db2.gz BFUAZHLBOFNJON-UHFFFAOYSA-N 0 0 332.266 3.217 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357378322 166663019 /nfs/dbraw/zinc/66/30/19/166663019.db2.gz HFXHUIRVDXMYJA-ZYHUDNBSSA-N 0 0 330.306 3.327 10 5 EGBERN CC(C)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000358908823 167001168 /nfs/dbraw/zinc/00/11/68/167001168.db2.gz SVQXMIJMCWXPLJ-UHFFFAOYSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000358941331 167014107 /nfs/dbraw/zinc/01/41/07/167014107.db2.gz QUZDICQAXMIQDS-CYBMUJFWSA-N 0 0 345.399 3.436 10 5 EGBERN CC1(C)CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000358970835 167023884 /nfs/dbraw/zinc/02/38/84/167023884.db2.gz COAIGNQPPFNWTK-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C ZINC000358979249 167026136 /nfs/dbraw/zinc/02/61/36/167026136.db2.gz LJRNMBVWDPQENZ-ZJUUUORDSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000359079485 167060353 /nfs/dbraw/zinc/06/03/53/167060353.db2.gz BGWCJCRUQOQKOV-AWEZNQCLSA-N 0 0 330.388 3.449 10 5 EGBERN COc1ccc2c(c1)OC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000359081529 167062036 /nfs/dbraw/zinc/06/20/36/167062036.db2.gz JRPTWJJXXSYGSV-CYBMUJFWSA-N 0 0 329.356 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000359081672 167062096 /nfs/dbraw/zinc/06/20/96/167062096.db2.gz KEPLSFQJPGMTMV-CQSZACIVSA-N 0 0 340.383 3.103 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 ZINC000359092542 167064507 /nfs/dbraw/zinc/06/45/07/167064507.db2.gz FWYRFXMMDMBUEK-ZFWWWQNUSA-N 0 0 340.383 3.213 10 5 EGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000359170500 167087514 /nfs/dbraw/zinc/08/75/14/167087514.db2.gz WFPPFFMCHBKMRM-HOCLYGCPSA-N 0 0 337.335 3.215 10 5 EGBERN CSc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000359193065 167092582 /nfs/dbraw/zinc/09/25/82/167092582.db2.gz VPRVHBTYQIRADF-UHFFFAOYSA-N 0 0 348.428 3.101 10 5 EGBERN CC[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCS1 ZINC000359356490 167135464 /nfs/dbraw/zinc/13/54/64/167135464.db2.gz BIAFSWBAENGNOB-JTQLQIEISA-N 0 0 346.355 3.164 10 5 EGBERN O=C(Nc1ncc(-c2cccnc2)s1)c1csc([N+](=O)[O-])c1 ZINC000359367449 167138186 /nfs/dbraw/zinc/13/81/86/167138186.db2.gz ZTMIFRCCLWGSFY-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN COc1cc(C(=O)N2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000359462559 167163124 /nfs/dbraw/zinc/16/31/24/167163124.db2.gz GPEQSZLNSMBAAL-UHFFFAOYSA-N 0 0 348.399 3.264 10 5 EGBERN CNC(=O)c1cc2cc(Nc3nc(C)cc(C)c3[N+](=O)[O-])ccc2[nH]1 ZINC000359892805 167259601 /nfs/dbraw/zinc/25/96/01/167259601.db2.gz AFABIHBZENGBLF-UHFFFAOYSA-N 0 0 339.355 3.191 10 5 EGBERN CN(CC(=O)NCc1ccc(C2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000360636825 167375815 /nfs/dbraw/zinc/37/58/15/167375815.db2.gz OYAKDMQXUSGJEP-UHFFFAOYSA-N 0 0 339.395 3.225 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2Cc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000360727969 167399797 /nfs/dbraw/zinc/39/97/97/167399797.db2.gz BMBSIKDAQZSVMF-OAHLLOKOSA-N 0 0 333.347 3.152 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc(Cl)c1 ZINC000360919348 167448358 /nfs/dbraw/zinc/44/83/58/167448358.db2.gz RHGRCXYILLGMGC-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN CCOC(=O)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000361274414 167576427 /nfs/dbraw/zinc/57/64/27/167576427.db2.gz XNELTXGDMKJTHJ-AWEZNQCLSA-N 0 0 329.356 3.057 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000361878604 167683499 /nfs/dbraw/zinc/68/34/99/167683499.db2.gz CTHQMMXKOJQWNN-CYBMUJFWSA-N 0 0 345.399 3.070 10 5 EGBERN C[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000364964982 168005909 /nfs/dbraw/zinc/00/59/09/168005909.db2.gz RQVUKUUQQUKWHG-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN CC1(C)CCC(=CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000365951491 168063806 /nfs/dbraw/zinc/06/38/06/168063806.db2.gz CAOWVCQUQNSEQJ-UHFFFAOYSA-N 0 0 346.431 3.481 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000366275229 168101343 /nfs/dbraw/zinc/10/13/43/168101343.db2.gz WBMSDUWXCSLPIT-GOEBONIOSA-N 0 0 340.807 3.018 10 5 EGBERN O=C([C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1)N1CCCCC1 ZINC000366637623 168126544 /nfs/dbraw/zinc/12/65/44/168126544.db2.gz YGKQPQIEEWNFHR-OLZOCXBDSA-N 0 0 335.379 3.327 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2cccs2)C1 ZINC000366642313 168127076 /nfs/dbraw/zinc/12/70/76/168127076.db2.gz PQRUVFQNSWYAAT-HNNXBMFYSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000171506759 227116206 /nfs/dbraw/zinc/11/62/06/227116206.db2.gz LSUQUXSRYWEUJQ-CQSZACIVSA-N 0 0 329.360 3.006 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000123993548 222361674 /nfs/dbraw/zinc/36/16/74/222361674.db2.gz NPBYKIWVFCWEHD-MSOLQXFVSA-N 0 0 340.379 3.476 10 5 EGBERN CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125265530 222540522 /nfs/dbraw/zinc/54/05/22/222540522.db2.gz CNJGBSGOIDHEDJ-JQWIXIFHSA-N 0 0 344.458 3.084 10 5 EGBERN Cc1cc(C(=O)NCc2ccn(C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000156533698 264825972 /nfs/dbraw/zinc/82/59/72/264825972.db2.gz JXYJPOXGKSXHRS-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1ccccc1C ZINC000174984103 265083532 /nfs/dbraw/zinc/08/35/32/265083532.db2.gz RSEPXLOGGHHYGT-HNNXBMFYSA-N 0 0 343.383 3.194 10 5 EGBERN CCCn1nccc1NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175187994 265099906 /nfs/dbraw/zinc/09/99/06/265099906.db2.gz LSJVMAWJQQVLLF-CQSZACIVSA-N 0 0 331.376 3.474 10 5 EGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000177710355 265273827 /nfs/dbraw/zinc/27/38/27/265273827.db2.gz QAKDOVDZFIZDPG-HUUCEWRRSA-N 0 0 335.404 3.012 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000177782191 265276762 /nfs/dbraw/zinc/27/67/62/265276762.db2.gz BHKVPNNMMNHUAH-OAHLLOKOSA-N 0 0 342.351 3.247 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000179317484 265372590 /nfs/dbraw/zinc/37/25/90/265372590.db2.gz UHIHQDBGFKLYHH-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000186851754 265557944 /nfs/dbraw/zinc/55/79/44/265557944.db2.gz ZPLCXTQAYPNXSC-INIZCTEOSA-N 0 0 349.431 3.174 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cn2ccnc2s1 ZINC000188452100 265680586 /nfs/dbraw/zinc/68/05/86/265680586.db2.gz YVXXZEGZQUSFDU-UHFFFAOYSA-N 0 0 344.396 3.057 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000189166237 265741542 /nfs/dbraw/zinc/74/15/42/265741542.db2.gz NCYHUIZDWYMMNN-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189725370 265790722 /nfs/dbraw/zinc/79/07/22/265790722.db2.gz JAULHOSAFPJASM-NWDGAFQWSA-N 0 0 344.371 3.120 10 5 EGBERN CCc1cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000190189435 265824632 /nfs/dbraw/zinc/82/46/32/265824632.db2.gz LQIIUASORXVSJC-UHFFFAOYSA-N 0 0 341.367 3.351 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000191625088 265921620 /nfs/dbraw/zinc/92/16/20/265921620.db2.gz LNFMAILKTOHRTO-UONOGXRCSA-N 0 0 342.399 3.138 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc(C)nc2CC(C)C)n1 ZINC000191671418 265923564 /nfs/dbraw/zinc/92/35/64/265923564.db2.gz IKZYMEUIWIYIQB-UHFFFAOYSA-N 0 0 337.405 3.027 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000193184371 266015146 /nfs/dbraw/zinc/01/51/46/266015146.db2.gz DGKAYYCBWXHNFG-QGZVFWFLSA-N 0 0 327.384 3.468 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000193882784 266071517 /nfs/dbraw/zinc/07/15/17/266071517.db2.gz AICUIVHOYNLASC-LLVKDONJSA-N 0 0 330.388 3.251 10 5 EGBERN CCCN(C(=O)c1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000194137426 266094103 /nfs/dbraw/zinc/09/41/03/266094103.db2.gz RRYAKZHXVZABFU-UHFFFAOYSA-N 0 0 330.369 3.361 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194600252 266130848 /nfs/dbraw/zinc/13/08/48/266130848.db2.gz DZAJDFLQMUNGOW-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000195304790 266174267 /nfs/dbraw/zinc/17/42/67/266174267.db2.gz OBYPLZLDXOHQNR-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2ccc(Br)s2)cn1 ZINC000219702222 266196846 /nfs/dbraw/zinc/19/68/46/266196846.db2.gz HPQVKVJIKLPHCX-UHFFFAOYSA-N 0 0 328.191 3.468 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000266183850 266274271 /nfs/dbraw/zinc/27/42/71/266274271.db2.gz AGFNVBWABLLQKN-BLLLJJGKSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1ccccc1[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000270894568 266572364 /nfs/dbraw/zinc/57/23/64/266572364.db2.gz DETMLGSYBGZHBD-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(CC(F)(F)F)s1 ZINC000274554712 267254147 /nfs/dbraw/zinc/25/41/47/267254147.db2.gz ANQGCLXHRFPIRC-UHFFFAOYSA-N 0 0 332.307 3.472 10 5 EGBERN C[C@@H](CO)[C@H](C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278445229 268014431 /nfs/dbraw/zinc/01/44/31/268014431.db2.gz KVSCTVFOKHOWQD-BQBZGAKWSA-N 0 0 343.252 3.073 10 5 EGBERN Cc1nc(C)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000340822563 274837900 /nfs/dbraw/zinc/83/79/00/274837900.db2.gz UEBOLERQQALSJK-UHFFFAOYSA-N 0 0 343.368 3.106 10 5 EGBERN COC(=O)c1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000043147637 275128001 /nfs/dbraw/zinc/12/80/01/275128001.db2.gz UJQXAUVTIOOVSG-UHFFFAOYSA-N 0 0 343.339 3.012 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045624194 275134248 /nfs/dbraw/zinc/13/42/48/275134248.db2.gz XWYSXXZMOXBWRB-UHFFFAOYSA-N 0 0 343.383 3.124 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000049306313 275148351 /nfs/dbraw/zinc/14/83/51/275148351.db2.gz ASDSIZNUIMXZAD-UHFFFAOYSA-N 0 0 329.312 3.058 10 5 EGBERN C[C@@H](Oc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376682 275161832 /nfs/dbraw/zinc/16/18/32/275161832.db2.gz ITRNPRDHQPTGBQ-QWHCGFSZSA-N 0 0 326.352 3.340 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110566123 275181076 /nfs/dbraw/zinc/18/10/76/275181076.db2.gz DWEXELJLIBFWMZ-DJJJIMSYSA-N 0 0 340.379 3.413 10 5 EGBERN O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122775167 275190891 /nfs/dbraw/zinc/19/08/91/275190891.db2.gz OVWKRJHULQGIGP-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187015296 275216964 /nfs/dbraw/zinc/21/69/64/275216964.db2.gz IYQFGHPUAWEFJG-LJQANCHMSA-N 0 0 338.363 3.175 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194807139 275226347 /nfs/dbraw/zinc/22/63/47/275226347.db2.gz VJWDJUJQLHHAKV-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000271919637 275241475 /nfs/dbraw/zinc/24/14/75/275241475.db2.gz DJCPPTQBZATAAU-NHYWBVRUSA-N 0 0 329.356 3.264 10 5 EGBERN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275959109 275253388 /nfs/dbraw/zinc/25/33/88/275253388.db2.gz VPDUNKLKMIIXNF-HOMQSWHASA-N 0 0 327.768 3.015 10 5 EGBERN C[C@@H]1C[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279617622 275344340 /nfs/dbraw/zinc/34/43/40/275344340.db2.gz XZPGMFQGFWFJAZ-PSASIEDQSA-N 0 0 331.294 3.069 10 5 EGBERN CC(=O)Oc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 ZINC000094993390 275498940 /nfs/dbraw/zinc/49/89/40/275498940.db2.gz NYNHFNRWVYTYGO-UHFFFAOYSA-N 0 0 325.276 3.294 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000281013388 275514368 /nfs/dbraw/zinc/51/43/68/275514368.db2.gz FPVBVYKUYHCEQM-CQSZACIVSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1c(NC(=O)N2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000282568328 275648663 /nfs/dbraw/zinc/64/86/63/275648663.db2.gz CUTAQIFHWOYBLB-UHFFFAOYSA-N 0 0 340.177 3.420 10 5 EGBERN CC1(C)CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000356297377 275811338 /nfs/dbraw/zinc/81/13/38/275811338.db2.gz ITLFHYAMKGIJJR-UHFFFAOYSA-N 0 0 342.399 3.479 10 5 EGBERN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000287416383 276117577 /nfs/dbraw/zinc/11/75/77/276117577.db2.gz TWQLKJOAKMBEOW-GTNSWQLSSA-N 0 0 331.347 3.283 10 5 EGBERN COCCC1(C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288867542 276262071 /nfs/dbraw/zinc/26/20/71/276262071.db2.gz QGQJBUXIYTXJOA-UHFFFAOYSA-N 0 0 327.768 3.139 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000289053488 276284495 /nfs/dbraw/zinc/28/44/95/276284495.db2.gz MKZVCMTXBYCUCO-UHFFFAOYSA-N 0 0 333.731 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3cscn3)no2)c1 ZINC000289119264 276293324 /nfs/dbraw/zinc/29/33/24/276293324.db2.gz MOPIMJPVVQDGFC-UHFFFAOYSA-N 0 0 343.368 3.369 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCCC(=O)OC ZINC000289935640 276421861 /nfs/dbraw/zinc/42/18/61/276421861.db2.gz WSHWTIOMOFZQSH-UHFFFAOYSA-N 0 0 337.376 3.012 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000289996159 276432088 /nfs/dbraw/zinc/43/20/88/276432088.db2.gz DPMMIROSOMWCTH-DYVFJYSZSA-N 0 0 342.395 3.111 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000290278338 276474390 /nfs/dbraw/zinc/47/43/90/276474390.db2.gz WWLOLJQPTVCEGL-NWDGAFQWSA-N 0 0 334.376 3.235 10 5 EGBERN CC(C)N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291774116 276689246 /nfs/dbraw/zinc/68/92/46/276689246.db2.gz UBDOFWBNOXUYEM-JSGCOSHPSA-N 0 0 338.429 3.101 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@@H]2CC)c([N+](=O)[O-])cc1OCC ZINC000292801309 276877475 /nfs/dbraw/zinc/87/74/75/276877475.db2.gz YQLUCYRVWPWLIT-NSHDSACASA-N 0 0 337.376 3.408 10 5 EGBERN CO[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000221016066 277300332 /nfs/dbraw/zinc/30/03/32/277300332.db2.gz DWUMQAUSZGCRAY-TVQRCGJNSA-N 0 0 329.194 3.219 10 5 EGBERN Cc1ccc(S(=O)(=O)NC2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000360447982 278839815 /nfs/dbraw/zinc/83/98/15/278839815.db2.gz ORKHZEBQEHAPHR-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000359854445 279098787 /nfs/dbraw/zinc/09/87/87/279098787.db2.gz KDKQVELVFCWOPO-RKDXNWHRSA-N 0 0 326.278 3.315 10 5 EGBERN CCOc1ccccc1OC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000057140946 279978100 /nfs/dbraw/zinc/97/81/00/279978100.db2.gz HGOMKTDFJWAYRX-UHFFFAOYSA-N 0 0 343.383 3.436 10 5 EGBERN O=C([C@H]1CC12CCN(c1ccccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000374520387 280126113 /nfs/dbraw/zinc/12/61/13/280126113.db2.gz IODKSDWAOVKAOM-OAHLLOKOSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1c(C(=O)N2CC3(CCC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365324458 280204421 /nfs/dbraw/zinc/20/44/21/280204421.db2.gz WJGSLLXIDTZLFC-JTQLQIEISA-N 0 0 333.344 3.216 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247880312 280355183 /nfs/dbraw/zinc/35/51/83/280355183.db2.gz BOWWONOYFOJTCC-SCLBCKFNSA-N 0 0 327.384 3.274 10 5 EGBERN Cc1nc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000268476489 281943711 /nfs/dbraw/zinc/94/37/11/281943711.db2.gz KNQDIJDWUVLXMA-BDJLRTHQSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1nnc([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000338332150 293386410 /nfs/dbraw/zinc/38/64/10/293386410.db2.gz GNXSMAGZDBAQJG-CQSZACIVSA-N 0 0 335.795 3.402 10 5 EGBERN O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccccc1[N+](=O)[O-] ZINC000012369272 304689530 /nfs/dbraw/zinc/68/95/30/304689530.db2.gz XLYVQVWMTOLDNL-ZROIWOOFSA-N 0 0 332.319 3.478 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000184456330 303498238 /nfs/dbraw/zinc/49/82/38/303498238.db2.gz LNXMURHZFASTAC-ZDUSSCGKSA-N 0 0 332.385 3.001 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000066327352 307361569 /nfs/dbraw/zinc/36/15/69/307361569.db2.gz ZKTDVXMXARQJDX-MRVPVSSYSA-N 0 0 346.817 3.349 10 5 EGBERN CCOc1ccc(C(=O)N2c3ccccc3OC[C@H]2C)cc1[N+](=O)[O-] ZINC000072531503 307379887 /nfs/dbraw/zinc/37/98/87/307379887.db2.gz SZTXBFWPIVIFIL-GFCCVEGCSA-N 0 0 342.351 3.421 10 5 EGBERN COCC[C@@H](C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000413884063 309051325 /nfs/dbraw/zinc/05/13/25/309051325.db2.gz WBJNWNANZBJNMD-SECBINFHSA-N 0 0 334.294 3.016 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119295721 307493479 /nfs/dbraw/zinc/49/34/79/307493479.db2.gz QHROFCSVGHPAHZ-FZKQIMNGSA-N 0 0 339.395 3.370 10 5 EGBERN CCNc1ncc(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000129653034 307617695 /nfs/dbraw/zinc/61/76/95/307617695.db2.gz VCLICLMFFPFEHA-GFCCVEGCSA-N 0 0 334.401 3.364 10 5 EGBERN CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134576515 307690002 /nfs/dbraw/zinc/69/00/02/307690002.db2.gz BLNMVUKDSRESAS-WDEREUQCSA-N 0 0 332.447 3.246 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000152084949 307745504 /nfs/dbraw/zinc/74/55/04/307745504.db2.gz MVTAPGZLCLULNJ-HOCLYGCPSA-N 0 0 346.333 3.335 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(-c3ccccc3)no1)C2 ZINC000153247368 307769091 /nfs/dbraw/zinc/76/90/91/307769091.db2.gz CJVASXBCJPTVDP-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ncc(-c2cccc(F)c2)o1 ZINC000158569768 307860993 /nfs/dbraw/zinc/86/09/93/307860993.db2.gz WGZAJMXRPZLBSJ-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN O=[N+]([O-])c1ccccc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000171129583 307941559 /nfs/dbraw/zinc/94/15/59/307941559.db2.gz ZQCVXCGYZVRFPR-UHFFFAOYSA-N 0 0 328.372 3.414 10 5 EGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248422759 308003050 /nfs/dbraw/zinc/00/30/50/308003050.db2.gz CRVWGPGVQJYDMW-UMVBOHGHSA-N 0 0 338.429 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000292946880 308082976 /nfs/dbraw/zinc/08/29/76/308082976.db2.gz KGQRZWTYWSFXSW-NSHDSACASA-N 0 0 347.318 3.453 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294717407 308249204 /nfs/dbraw/zinc/24/92/04/308249204.db2.gz MGEPHVVOYMOIBC-GFCCVEGCSA-N 0 0 328.372 3.247 10 5 EGBERN C[C@H](c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1)C(F)(F)F ZINC000294948766 308275220 /nfs/dbraw/zinc/27/52/20/308275220.db2.gz LXRAMTDJDBMOTQ-SNVBAGLBSA-N 0 0 326.274 3.471 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(=O)[nH]1 ZINC000294966669 308276935 /nfs/dbraw/zinc/27/69/35/308276935.db2.gz GEPJGHCMPJSGIF-UHFFFAOYSA-N 0 0 349.774 3.204 10 5 EGBERN CCOC(=O)C1CCC(Sc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000294978754 308278408 /nfs/dbraw/zinc/27/84/08/308278408.db2.gz LUSRXWGALIYGBC-UHFFFAOYSA-N 0 0 341.433 3.334 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000295001157 308280494 /nfs/dbraw/zinc/28/04/94/308280494.db2.gz BXYINWMJIOBUSI-NHYWBVRUSA-N 0 0 348.790 3.168 10 5 EGBERN CC[C@@H](NC(=O)c1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000295135325 308295480 /nfs/dbraw/zinc/29/54/80/308295480.db2.gz IMMVNFIHCOVPQC-OAHLLOKOSA-N 0 0 326.356 3.143 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@](C)(F)C1 ZINC000295410085 308324048 /nfs/dbraw/zinc/32/40/48/308324048.db2.gz MTESWEPHPCLSCU-ZUZCIYMTSA-N 0 0 343.786 3.399 10 5 EGBERN COC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000295442189 308327271 /nfs/dbraw/zinc/32/72/71/308327271.db2.gz ADVIUHISGCZEKO-UHFFFAOYSA-N 0 0 326.780 3.246 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCC(C)(F)F)c1 ZINC000295515022 308334703 /nfs/dbraw/zinc/33/47/03/308334703.db2.gz AFPYAAQSFFIAFX-UHFFFAOYSA-N 0 0 330.331 3.224 10 5 EGBERN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000295703954 308352302 /nfs/dbraw/zinc/35/23/02/308352302.db2.gz BXQCLRRCAVOGQE-MWLCHTKSSA-N 0 0 346.305 3.406 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000295750750 308356484 /nfs/dbraw/zinc/35/64/84/308356484.db2.gz NTSHSDQRDPHCHQ-GDBMZVCRSA-N 0 0 329.356 3.331 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000295870105 308369122 /nfs/dbraw/zinc/36/91/22/308369122.db2.gz XOYRQYCBYIVPDH-KRWDZBQOSA-N 0 0 335.379 3.159 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC ZINC000296013550 308384729 /nfs/dbraw/zinc/38/47/29/308384729.db2.gz LETIMWAWDFOOQT-ZANVPECISA-N 0 0 328.796 3.348 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCC(O)CC2)CC1 ZINC000296104351 308393799 /nfs/dbraw/zinc/39/37/99/308393799.db2.gz GHDKKFXDRQPNMO-UHFFFAOYSA-N 0 0 333.388 3.144 10 5 EGBERN COc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000299567204 308679705 /nfs/dbraw/zinc/67/97/05/308679705.db2.gz BNZMBDDYNVJLCR-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN Cc1cc(N(C)C[C@H]2CCCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301078013 308687328 /nfs/dbraw/zinc/68/73/28/308687328.db2.gz JDTUFIAHIABQLT-MRXNPFEDSA-N 0 0 342.399 3.366 10 5 EGBERN Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301079875 308687441 /nfs/dbraw/zinc/68/74/41/308687441.db2.gz DAZHTRXKNZJHRG-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN Cc1c2ccccc2oc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301098323 308688140 /nfs/dbraw/zinc/68/81/40/308688140.db2.gz PHKALMFXXKDPQO-JTQLQIEISA-N 0 0 340.339 3.316 10 5 EGBERN COC(=O)c1cc(Oc2ncnc3ccccc32)ccc1[N+](=O)[O-] ZINC000301226526 308692326 /nfs/dbraw/zinc/69/23/26/308692326.db2.gz GGXMYXNVKVCCST-UHFFFAOYSA-N 0 0 325.280 3.117 10 5 EGBERN CSCc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)ccc1Cl ZINC000301282158 308694903 /nfs/dbraw/zinc/69/49/03/308694903.db2.gz KZVRRQWBFVOCLL-UHFFFAOYSA-N 0 0 325.781 3.227 10 5 EGBERN Cc1cc(NC[C@H](O)C2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301291441 308695221 /nfs/dbraw/zinc/69/52/21/308695221.db2.gz PIVWRTUBTXUEOQ-INIZCTEOSA-N 0 0 342.399 3.323 10 5 EGBERN O=[N+]([O-])c1c(N(C[C@@H]2CCCO2)C2CCCC2)nc2sccn21 ZINC000301363790 308697880 /nfs/dbraw/zinc/69/78/80/308697880.db2.gz PIMAIACPJHSYMQ-LBPRGKRZSA-N 0 0 336.417 3.232 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301579898 308706062 /nfs/dbraw/zinc/70/60/62/308706062.db2.gz UMAKXMIHVIDMLO-MRTUKWCHSA-N 0 0 344.408 3.234 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000301595038 308706578 /nfs/dbraw/zinc/70/65/78/308706578.db2.gz YUWDNHPUHVQKCK-STQMWFEESA-N 0 0 331.372 3.178 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)nc1C ZINC000301597620 308706733 /nfs/dbraw/zinc/70/67/33/308706733.db2.gz GWZOONXCJYYCDH-SECBINFHSA-N 0 0 336.373 3.105 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301596236 308706782 /nfs/dbraw/zinc/70/67/82/308706782.db2.gz GDLBNNGODMLYLP-NSHDSACASA-N 0 0 348.790 3.343 10 5 EGBERN COC(=O)c1cc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1[N+](=O)[O-] ZINC000301704811 308711763 /nfs/dbraw/zinc/71/17/63/308711763.db2.gz RUPVCIBUBIOPRC-QGPMSJSTSA-N 0 0 338.363 3.379 10 5 EGBERN COC(=O)c1cc(NCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000301742574 308713550 /nfs/dbraw/zinc/71/35/50/308713550.db2.gz FQLNEURKCPIGGO-UHFFFAOYSA-N 0 0 344.371 3.305 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CCC(C)(C)CC1 ZINC000301769028 308714497 /nfs/dbraw/zinc/71/44/97/308714497.db2.gz COJQREHWUVOZSC-UHFFFAOYSA-N 0 0 340.445 3.403 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC(C3CCOCC3)CC2)c1 ZINC000301786142 308715253 /nfs/dbraw/zinc/71/52/53/308715253.db2.gz WARFZCSZACEONX-UHFFFAOYSA-N 0 0 338.379 3.386 10 5 EGBERN COc1cc(NC[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000301828306 308717247 /nfs/dbraw/zinc/71/72/47/308717247.db2.gz GCFMEAWXMNWTMD-MRXNPFEDSA-N 0 0 338.310 3.201 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(Br)cc3)nn21 ZINC000301952471 308722899 /nfs/dbraw/zinc/72/28/99/308722899.db2.gz CCVDEJOBDOQRDA-UHFFFAOYSA-N 0 0 348.160 3.012 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000301982143 308723971 /nfs/dbraw/zinc/72/39/71/308723971.db2.gz AFRDOFKBXXTGAD-CQSZACIVSA-N 0 0 347.802 3.431 10 5 EGBERN Cc1cc(NCCC(=O)NC2CCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301986150 308724065 /nfs/dbraw/zinc/72/40/65/308724065.db2.gz CTLROMWBDBMIMV-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000302003238 308724872 /nfs/dbraw/zinc/72/48/72/308724872.db2.gz TUITWFAYLPZARU-VXGBXAGGSA-N 0 0 348.428 3.277 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302064362 308727687 /nfs/dbraw/zinc/72/76/87/308727687.db2.gz VIWVAQCDEJMMEX-WBMJQRKESA-N 0 0 338.429 3.015 10 5 EGBERN C[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000302066489 308727935 /nfs/dbraw/zinc/72/79/35/308727935.db2.gz ULFVQKSLIPHONW-XIKOKIGWSA-N 0 0 346.358 3.193 10 5 EGBERN COc1cc(NC[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000302739924 308743943 /nfs/dbraw/zinc/74/39/43/308743943.db2.gz YRJZAEURGDQDQR-KRWDZBQOSA-N 0 0 338.404 3.355 10 5 EGBERN COC(=O)c1cnc(Nc2cccc([C@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000302779050 308745198 /nfs/dbraw/zinc/74/51/98/308745198.db2.gz QLCXIUOPNZLEGV-JTQLQIEISA-N 0 0 331.328 3.227 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc3c(c2)OCCO3)c1 ZINC000326284634 308770827 /nfs/dbraw/zinc/77/08/27/308770827.db2.gz NWCAGGCVDUAZNY-UHFFFAOYSA-N 0 0 347.348 3.304 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000334039174 308874578 /nfs/dbraw/zinc/87/45/78/308874578.db2.gz WFAXFKFSLZMXSJ-KOLCDFICSA-N 0 0 339.779 3.380 10 5 EGBERN Cc1ccc(NCc2nn(C)cc2Br)c([N+](=O)[O-])c1 ZINC000393356602 308902486 /nfs/dbraw/zinc/90/24/86/308902486.db2.gz WQVUQUHUNMWKRV-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CCOC(=O)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000411752206 308951569 /nfs/dbraw/zinc/95/15/69/308951569.db2.gz AKFYIJOJSJAFFR-UHFFFAOYSA-N 0 0 343.383 3.191 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412142145 308971211 /nfs/dbraw/zinc/97/12/11/308971211.db2.gz GXOZJDZPYWIHAI-JZXOWHBKSA-N 0 0 334.416 3.002 10 5 EGBERN Cc1c(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000412941503 309009189 /nfs/dbraw/zinc/00/91/89/309009189.db2.gz KOXOUTPYGQRFTC-CQSZACIVSA-N 0 0 343.358 3.051 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000413062240 309014051 /nfs/dbraw/zinc/01/40/51/309014051.db2.gz AXWBNXQZIRMSNX-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN COc1ccccc1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413089843 309015574 /nfs/dbraw/zinc/01/55/74/309015574.db2.gz CRUWDJCSUUCJHB-ZDUSSCGKSA-N 0 0 331.347 3.349 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1O ZINC000413227172 309022576 /nfs/dbraw/zinc/02/25/76/309022576.db2.gz OZCOBYDMRZSGJX-CMPLNLGQSA-N 0 0 347.337 3.242 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000416119653 309159423 /nfs/dbraw/zinc/15/94/23/309159423.db2.gz SONPKJBXHQJUTI-UTLUCORTSA-N 0 0 328.315 3.313 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@H]2c2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000416367320 309170269 /nfs/dbraw/zinc/17/02/69/309170269.db2.gz DZPIWWLFPZFHBX-HNNXBMFYSA-N 0 0 346.408 3.347 10 5 EGBERN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C1CCC1)C1CCC1 ZINC000417645338 309215769 /nfs/dbraw/zinc/21/57/69/309215769.db2.gz DCUHRXCVIMFCLK-QGZVFWFLSA-N 0 0 332.400 3.354 10 5 EGBERN CC[C@@H](NC(=O)NCCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000420876036 309298917 /nfs/dbraw/zinc/29/89/17/309298917.db2.gz MBESMLQVNIXDHI-OAHLLOKOSA-N 0 0 335.404 3.040 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000421129572 309314679 /nfs/dbraw/zinc/31/46/79/309314679.db2.gz YBEORMQESVGICE-AAEUAGOBSA-N 0 0 337.376 3.073 10 5 EGBERN C[C@@H]1CC[C@H](O)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421378794 309321650 /nfs/dbraw/zinc/32/16/50/309321650.db2.gz TWKJZKCADNXXOG-ABAIWWIYSA-N 0 0 333.413 3.064 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000421521290 309328236 /nfs/dbraw/zinc/32/82/36/309328236.db2.gz RBORFZMHGKWTDX-CQSZACIVSA-N 0 0 332.400 3.243 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000421671026 309333841 /nfs/dbraw/zinc/33/38/41/309333841.db2.gz PJHKZDNSHIRLNJ-WCQYABFASA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000422173541 309356655 /nfs/dbraw/zinc/35/66/55/309356655.db2.gz HIODGNXQJJTULR-JKSUJKDBSA-N 0 0 347.415 3.135 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000422241482 309359038 /nfs/dbraw/zinc/35/90/38/309359038.db2.gz RPLCXNXVDITVMC-RHSMWYFYSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000424891576 309459054 /nfs/dbraw/zinc/45/90/54/309459054.db2.gz VJSFTIJYUJWIHB-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000425269815 309470718 /nfs/dbraw/zinc/47/07/18/309470718.db2.gz ULEDWSWYFQHJGY-GFCCVEGCSA-N 0 0 335.404 3.052 10 5 EGBERN COc1ccc(CN2c3ccccc3CC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000425491263 309482782 /nfs/dbraw/zinc/48/27/82/309482782.db2.gz NJJAFXTVIQLUCS-INIZCTEOSA-N 0 0 342.395 3.307 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1cc(OC)ccn1 ZINC000425618633 309488203 /nfs/dbraw/zinc/48/82/03/309488203.db2.gz KJEPZMFRBYEBDR-UHFFFAOYSA-N 0 0 347.396 3.387 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000426000462 309497440 /nfs/dbraw/zinc/49/74/40/309497440.db2.gz SEGHYEJQIRKMLE-GFCCVEGCSA-N 0 0 327.331 3.014 10 5 EGBERN COc1ccc(C[NH2+][C@H](C(=O)[O-])C2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000426744377 309514565 /nfs/dbraw/zinc/51/45/65/309514565.db2.gz CRBPBNUAIMTRAB-OAHLLOKOSA-N 0 0 336.388 3.117 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2c1cccc2F ZINC000426940567 309520177 /nfs/dbraw/zinc/52/01/77/309520177.db2.gz PKSOJKJVEHNGNK-HNNXBMFYSA-N 0 0 330.315 3.160 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C(C)C)n1 ZINC000427175947 309523929 /nfs/dbraw/zinc/52/39/29/309523929.db2.gz FIZNVIWDDHFWFG-UHFFFAOYSA-N 0 0 334.351 3.001 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)n1 ZINC000427188770 309524359 /nfs/dbraw/zinc/52/43/59/309524359.db2.gz DSKUBBOLYFXBFN-ZDUSSCGKSA-N 0 0 330.388 3.261 10 5 EGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000427604901 309532092 /nfs/dbraw/zinc/53/20/92/309532092.db2.gz UEFWCKYLCHPNPZ-QMMMGPOBSA-N 0 0 342.808 3.407 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@H]2CC23CCCC3)c(C)c([N+](=O)[O-])c1 ZINC000429631694 309586471 /nfs/dbraw/zinc/58/64/71/309586471.db2.gz PFYVJBMXJNTIMH-AWEZNQCLSA-N 0 0 347.371 3.144 10 5 EGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000432329602 309657681 /nfs/dbraw/zinc/65/76/81/309657681.db2.gz RJAYSLBZHHQTSX-JTQLQIEISA-N 0 0 344.820 3.201 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1ncc(Br)s1 ZINC000432469200 309661769 /nfs/dbraw/zinc/66/17/69/309661769.db2.gz BWYQQSIYWMJTAT-UHFFFAOYSA-N 0 0 345.174 3.401 10 5 EGBERN Cc1ccc(CN(CCO)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000432564837 309663735 /nfs/dbraw/zinc/66/37/35/309663735.db2.gz FFDXVQFMQCGCAM-UHFFFAOYSA-N 0 0 347.371 3.139 10 5 EGBERN CCc1nn(C)c(N2CCC(F)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000432836522 309670459 /nfs/dbraw/zinc/67/04/59/309670459.db2.gz NLQAHKALKJHFDX-UHFFFAOYSA-N 0 0 332.379 3.356 10 5 EGBERN COc1ccc(CNC(=O)N2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000432864573 309671312 /nfs/dbraw/zinc/67/13/12/309671312.db2.gz FZTTVBAHMAFPBI-GFCCVEGCSA-N 0 0 333.388 3.078 10 5 EGBERN CC(C)(C(=O)NCCC[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000433269112 309684347 /nfs/dbraw/zinc/68/43/47/309684347.db2.gz HEAOBCNETFQWCC-PBHICJAKSA-N 0 0 348.443 3.320 10 5 EGBERN COC(=O)[C@H](CNc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000433424998 309688705 /nfs/dbraw/zinc/68/87/05/309688705.db2.gz VCIHLGUSINGVFM-GFCCVEGCSA-N 0 0 348.330 3.111 10 5 EGBERN CCN(c1cccnc1C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000435625912 309736753 /nfs/dbraw/zinc/73/67/53/309736753.db2.gz HUQSTTAZFCLSTJ-UHFFFAOYSA-N 0 0 349.412 3.130 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436004715 309744684 /nfs/dbraw/zinc/74/46/84/309744684.db2.gz DYXZGACTLFPJHF-LLVKDONJSA-N 0 0 338.791 3.442 10 5 EGBERN COc1ccc(NC(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000455092828 310344155 /nfs/dbraw/zinc/34/41/55/310344155.db2.gz BDFAEKLXMIBIIS-AWEZNQCLSA-N 0 0 349.387 3.026 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438142381 309807941 /nfs/dbraw/zinc/80/79/41/309807941.db2.gz NCDALGCCFBSQMC-DINDLPBHSA-N 0 0 344.342 3.417 10 5 EGBERN CCc1ccc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000438504887 309815748 /nfs/dbraw/zinc/81/57/48/309815748.db2.gz YJUSMZAGVNCZIX-GOSISDBHSA-N 0 0 334.416 3.218 10 5 EGBERN CCCCN(CCOC)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439102886 309826309 /nfs/dbraw/zinc/82/63/09/309826309.db2.gz RXXQQZDXNGRCPJ-UHFFFAOYSA-N 0 0 328.796 3.445 10 5 EGBERN CN(CCCO)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000443005041 309893491 /nfs/dbraw/zinc/89/34/91/309893491.db2.gz WFIDCVBPOJRNGW-UHFFFAOYSA-N 0 0 346.408 3.200 10 5 EGBERN C[C@@H](CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000443774212 309907936 /nfs/dbraw/zinc/90/79/36/309907936.db2.gz RLQFDSSREWINFP-AWEZNQCLSA-N 0 0 348.424 3.160 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc3cnccn32)no1 ZINC000445505806 309942557 /nfs/dbraw/zinc/94/25/57/309942557.db2.gz WUBXCEBWBYJEPD-DHZHZOJOSA-N 0 0 348.322 3.248 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000446100473 309955965 /nfs/dbraw/zinc/95/59/65/309955965.db2.gz SXJSHSVGTDHXJW-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(Cc4cccnc4)CC3)nc2c1 ZINC000447688362 309985787 /nfs/dbraw/zinc/98/57/87/309985787.db2.gz XOGPZLPMQOZJTH-UHFFFAOYSA-N 0 0 337.383 3.325 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3OC3CCC3)nc2c1 ZINC000447692537 309985853 /nfs/dbraw/zinc/98/58/53/309985853.db2.gz GDXLRLWUFMDGLG-UHFFFAOYSA-N 0 0 338.367 3.436 10 5 EGBERN Cc1sc(C(=O)Nc2cc(C3(C)CCCC3)on2)cc1[N+](=O)[O-] ZINC000448414011 310003736 /nfs/dbraw/zinc/00/37/36/310003736.db2.gz LXGYMIFJDMDKHS-UHFFFAOYSA-N 0 0 335.385 3.459 10 5 EGBERN Cc1nc(CNCc2ccc([N+](=O)[O-])cc2)sc1Br ZINC000449399954 310058940 /nfs/dbraw/zinc/05/89/40/310058940.db2.gz FYTKKSTVUWUJKC-UHFFFAOYSA-N 0 0 342.218 3.412 10 5 EGBERN CCCc1ncc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000449614999 310075399 /nfs/dbraw/zinc/07/53/99/310075399.db2.gz XPZSLVZBVXGSKL-UHFFFAOYSA-N 0 0 341.314 3.427 10 5 EGBERN CC(C)OC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000450363303 310118022 /nfs/dbraw/zinc/11/80/22/310118022.db2.gz UTEWIGGEVPXKKM-OAHLLOKOSA-N 0 0 329.356 3.485 10 5 EGBERN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000450442920 310123107 /nfs/dbraw/zinc/12/31/07/310123107.db2.gz UEXGCARKQLIHJG-ZBFHGGJFSA-N 0 0 331.347 3.485 10 5 EGBERN CC(C)N(CCc1nccs1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450447892 310123312 /nfs/dbraw/zinc/12/33/12/310123312.db2.gz YPUJGSKJFCQSST-UHFFFAOYSA-N 0 0 331.401 3.385 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@]2(C1)CCCOC2 ZINC000450511943 310127445 /nfs/dbraw/zinc/12/74/45/310127445.db2.gz CGSPERPQQHSEAZ-GOSISDBHSA-N 0 0 343.383 3.159 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450604405 310132573 /nfs/dbraw/zinc/13/25/73/310132573.db2.gz WDHLWJBYDNSSKH-UMVBOHGHSA-N 0 0 337.383 3.408 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)cc1[N+](=O)[O-] ZINC000450642534 310134635 /nfs/dbraw/zinc/13/46/35/310134635.db2.gz CDGSAHCSYLXZPS-KSSFIOAISA-N 0 0 348.349 3.347 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1(C)CCCC1 ZINC000451507166 310181760 /nfs/dbraw/zinc/18/17/60/310181760.db2.gz SURUMASGTIAGRX-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2c(F)cccc21 ZINC000452201781 310218388 /nfs/dbraw/zinc/21/83/88/310218388.db2.gz XWXCONDEXPGKKK-QGZVFWFLSA-N 0 0 344.342 3.307 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCOCC1 ZINC000452410460 310226391 /nfs/dbraw/zinc/22/63/91/310226391.db2.gz QFPAJMOGVFZTPN-UHFFFAOYSA-N 0 0 336.413 3.172 10 5 EGBERN Cc1c(CC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000452609105 310234489 /nfs/dbraw/zinc/23/44/89/310234489.db2.gz XYIGKUFJGAWKCR-DRMAHVMPSA-N 0 0 326.396 3.116 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000452812949 310243100 /nfs/dbraw/zinc/24/31/00/310243100.db2.gz FEUVIFVQYBSQLL-XHDPSFHLSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000452864966 310246446 /nfs/dbraw/zinc/24/64/46/310246446.db2.gz FAYOXVKGJAMFQV-ABAIWWIYSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000452868567 310246651 /nfs/dbraw/zinc/24/66/51/310246651.db2.gz GBMRHPZAXDPZPT-WBMJQRKESA-N 0 0 345.399 3.257 10 5 EGBERN CC[C@@H](CC(F)(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000453127592 310259697 /nfs/dbraw/zinc/25/96/97/310259697.db2.gz CDTMUDHFBHPBFX-QMMMGPOBSA-N 0 0 330.266 3.410 10 5 EGBERN Cc1cc(C)cc(C2(c3noc(-c4nn(C)cc4[N+](=O)[O-])n3)CC2)c1 ZINC000453306141 310270095 /nfs/dbraw/zinc/27/00/95/310270095.db2.gz IFIZXHODLUOFSX-UHFFFAOYSA-N 0 0 339.355 3.075 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000454150302 310294761 /nfs/dbraw/zinc/29/47/61/310294761.db2.gz QRTZOQWEVUCWLV-OIISXLGYSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000454155662 310294974 /nfs/dbraw/zinc/29/49/74/310294974.db2.gz WMZUESXIHXJCDQ-XJKSGUPXSA-N 0 0 335.404 3.476 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000455403896 310359096 /nfs/dbraw/zinc/35/90/96/310359096.db2.gz ASDBKCABKDPHAB-WMLDXEAASA-N 0 0 349.431 3.187 10 5 EGBERN CC[C@H](NC(=O)NCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000455435505 310360414 /nfs/dbraw/zinc/36/04/14/310360414.db2.gz IPSJWGQHOHFRMS-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456102330 310388662 /nfs/dbraw/zinc/38/86/62/310388662.db2.gz LFNKBLCSEBAEPF-SQWLQELKSA-N 0 0 332.400 3.059 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000456133874 310389970 /nfs/dbraw/zinc/38/99/70/310389970.db2.gz GENKDYQIZCQSLP-JOYOIKCWSA-N 0 0 346.305 3.111 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000457041176 310433784 /nfs/dbraw/zinc/43/37/84/310433784.db2.gz OUGFALHUOFRGNW-GFCCVEGCSA-N 0 0 338.429 3.205 10 5 EGBERN Cc1nn(CCC(=O)N(C(C)C)C2CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000457083447 310436466 /nfs/dbraw/zinc/43/64/66/310436466.db2.gz YQVOBORTUHWJQY-UHFFFAOYSA-N 0 0 336.436 3.224 10 5 EGBERN C[C@@H](CC(F)(F)F)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000457623469 310463859 /nfs/dbraw/zinc/46/38/59/310463859.db2.gz FYXDPIVMKBZXPK-QMMMGPOBSA-N 0 0 327.262 3.092 10 5 EGBERN C[C@H](CC(F)(F)F)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457698084 310467819 /nfs/dbraw/zinc/46/78/19/310467819.db2.gz VDCMOVDCQMLWLA-MRVPVSSYSA-N 0 0 338.713 3.495 10 5 EGBERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000458145314 310488100 /nfs/dbraw/zinc/48/81/00/310488100.db2.gz UQPOABFIKKEKQG-SWLSCSKDSA-N 0 0 328.315 3.361 10 5 EGBERN C/C=C/C[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)OCC ZINC000463392924 310611974 /nfs/dbraw/zinc/61/19/74/310611974.db2.gz OXPJAQHHDIBUBZ-IZPAUZPXSA-N 0 0 348.399 3.148 10 5 EGBERN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000466993326 310665726 /nfs/dbraw/zinc/66/57/26/310665726.db2.gz XVWZBUBMZDRYPH-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000473512122 310776139 /nfs/dbraw/zinc/77/61/39/310776139.db2.gz GXUKIWJRLXRTJC-CABCVRRESA-N 0 0 327.384 3.396 10 5 EGBERN COc1nn(C)cc1N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000474075447 310785032 /nfs/dbraw/zinc/78/50/32/310785032.db2.gz UDCAFVHPNKWVGK-TZMCWYRMSA-N 0 0 330.388 3.160 10 5 EGBERN Cc1ccc(NC[C@H](CO)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000477693506 310847873 /nfs/dbraw/zinc/84/78/73/310847873.db2.gz JMFGFRSONUVXMK-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN Cc1c(CNC(=O)NC/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000478651394 310862278 /nfs/dbraw/zinc/86/22/78/310862278.db2.gz JSAQZRODPNXCKY-TWGQIWQCSA-N 0 0 325.368 3.416 10 5 EGBERN CC(C)c1nn(C)cc1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000482079243 310926118 /nfs/dbraw/zinc/92/61/18/310926118.db2.gz UJRITTCSEXOLNR-GFCCVEGCSA-N 0 0 345.403 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2(C)CCCC2)c1C ZINC000486953187 311003687 /nfs/dbraw/zinc/00/36/87/311003687.db2.gz FEIQEAHWLFQXJJ-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000488076157 311050366 /nfs/dbraw/zinc/05/03/66/311050366.db2.gz DTAHQBWTPWWTBW-CXAGYDPISA-N 0 0 337.383 3.427 10 5 EGBERN CCc1nn(C)c(CC)c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488091194 311050882 /nfs/dbraw/zinc/05/08/82/311050882.db2.gz BOLQPTYHEWKDMJ-UHFFFAOYSA-N 0 0 339.399 3.035 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC000488694418 311075304 /nfs/dbraw/zinc/07/53/04/311075304.db2.gz XUUYXWDKBXMOSF-JTQLQIEISA-N 0 0 333.310 3.153 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793306 311080350 /nfs/dbraw/zinc/08/03/50/311080350.db2.gz IMFNXBTZEONARP-STQMWFEESA-N 0 0 326.418 3.088 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1 ZINC000489990144 311128653 /nfs/dbraw/zinc/12/86/53/311128653.db2.gz IBCBKBOUBQTQMP-UKRRQHHQSA-N 0 0 342.399 3.138 10 5 EGBERN C[C@H](NCc1cnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490583410 311146079 /nfs/dbraw/zinc/14/60/79/311146079.db2.gz VUQBTSYORIQCOB-AWEZNQCLSA-N 0 0 337.383 3.085 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000494241343 311464472 /nfs/dbraw/zinc/46/44/72/311464472.db2.gz LCZYQWABINHGFX-VIFPVBQESA-N 0 0 329.303 3.303 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1OC ZINC000497807144 311869524 /nfs/dbraw/zinc/86/95/24/311869524.db2.gz HOGCJMKSDMFREH-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@H](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000505143177 312015996 /nfs/dbraw/zinc/01/59/96/312015996.db2.gz VKMOJUSAZUFTFA-LLVKDONJSA-N 0 0 334.372 3.080 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000507122628 312059988 /nfs/dbraw/zinc/05/99/88/312059988.db2.gz UVXYNFGKUPTUQR-UHFFFAOYSA-N 0 0 343.311 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000511188328 312156960 /nfs/dbraw/zinc/15/69/60/312156960.db2.gz OJDZMTIOAOHXNQ-CQSZACIVSA-N 0 0 339.395 3.084 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1snnc1C(C)(C)C ZINC000513030265 312200007 /nfs/dbraw/zinc/20/00/07/312200007.db2.gz DPHOJEYXZUQMHU-UHFFFAOYSA-N 0 0 348.428 3.059 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000513071657 312200976 /nfs/dbraw/zinc/20/09/76/312200976.db2.gz XDOPFNQONFCWIX-HDJSIYSDSA-N 0 0 325.368 3.360 10 5 EGBERN C[C@H]1CCC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514628031 312235062 /nfs/dbraw/zinc/23/50/62/312235062.db2.gz YRFFNAFWARJXCJ-WDEREUQCSA-N 0 0 326.343 3.453 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000514950776 312256374 /nfs/dbraw/zinc/25/63/74/312256374.db2.gz KFSYETXPWKKDGU-XJKSGUPXSA-N 0 0 329.356 3.331 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC000518605192 312423181 /nfs/dbraw/zinc/42/31/81/312423181.db2.gz TVQNHWIPCHMZRR-UHFFFAOYSA-N 0 0 342.248 3.357 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000522048849 312572000 /nfs/dbraw/zinc/57/20/00/312572000.db2.gz CYVCFVHPNAIFOX-WBMJQRKESA-N 0 0 346.408 3.115 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000523951949 312640130 /nfs/dbraw/zinc/64/01/30/312640130.db2.gz KXWDXIYWHPSFIG-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000526098789 312793252 /nfs/dbraw/zinc/79/32/52/312793252.db2.gz JNEPIJBMWXYSCA-LSDHHAIUSA-N 0 0 325.368 3.131 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000531813432 313716785 /nfs/dbraw/zinc/71/67/85/313716785.db2.gz WIWGOWVHJJEDGJ-LLVKDONJSA-N 0 0 348.790 3.343 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000536154349 314096331 /nfs/dbraw/zinc/09/63/31/314096331.db2.gz FJVWRRCQXVLJEA-IAGOWNOFSA-N 0 0 331.416 3.405 10 5 EGBERN CN(Cc1ccc2ccccc2c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000536170363 314097806 /nfs/dbraw/zinc/09/78/06/314097806.db2.gz FGQLGYYVVIQIJW-UHFFFAOYSA-N 0 0 333.351 3.427 10 5 EGBERN O=C(N[C@H]1CC12CCCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540003318 314357055 /nfs/dbraw/zinc/35/70/55/314357055.db2.gz SJWWXPOPUAPXGL-INIZCTEOSA-N 0 0 329.400 3.385 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000540038669 314359615 /nfs/dbraw/zinc/35/96/15/314359615.db2.gz KGNHAWMVMVWYMJ-IUODEOHRSA-N 0 0 336.388 3.305 10 5 EGBERN CCOc1cc(N2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000543779076 314656056 /nfs/dbraw/zinc/65/60/56/314656056.db2.gz BNOOHUHTCHKGCT-OAHLLOKOSA-N 0 0 330.388 3.459 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543884326 314661532 /nfs/dbraw/zinc/66/15/32/314661532.db2.gz HRNJEQUIPXBBIN-AWEZNQCLSA-N 0 0 341.367 3.282 10 5 EGBERN CCOC(=O)c1cc(-c2nc([C@H](C)C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000547212119 314880558 /nfs/dbraw/zinc/88/05/58/314880558.db2.gz HBPKXKNCVHYWFK-SECBINFHSA-N 0 0 331.328 3.335 10 5 EGBERN CC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)C1 ZINC000549079276 315073557 /nfs/dbraw/zinc/07/35/57/315073557.db2.gz GJIXKUVEZNIRRP-ZDUSSCGKSA-N 0 0 329.404 3.500 10 5 EGBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1csc([N+](=O)[O-])c1 ZINC000552228552 315207794 /nfs/dbraw/zinc/20/77/94/315207794.db2.gz CAQKASAYTUOVJA-JOCQHMNTSA-N 0 0 346.412 3.204 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553079304 315243848 /nfs/dbraw/zinc/24/38/48/315243848.db2.gz JBPSWGSCBCRVGA-UKRRQHHQSA-N 0 0 341.367 3.128 10 5 EGBERN COc1c(C(=O)N2CC[C@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000554583022 315335534 /nfs/dbraw/zinc/33/55/34/315335534.db2.gz QAFQGRIUQYTJMP-GOSISDBHSA-N 0 0 344.342 3.314 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCCC1 ZINC000555356454 315381307 /nfs/dbraw/zinc/38/13/07/315381307.db2.gz DJHODGUQEUAZNA-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cnc2n1CCCC2 ZINC000556750735 315460882 /nfs/dbraw/zinc/46/08/82/315460882.db2.gz AOXIVLJFQCCCGR-UHFFFAOYSA-N 0 0 348.790 3.019 10 5 EGBERN COc1ccc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000558285060 315558778 /nfs/dbraw/zinc/55/87/78/315558778.db2.gz IHRJZWCRPVBASD-SNVBAGLBSA-N 0 0 326.312 3.200 10 5 EGBERN C[C@H](C(=O)NCCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000562400705 315829021 /nfs/dbraw/zinc/82/90/21/315829021.db2.gz GRTRDWUJJOPDPA-ZQIUZPCESA-N 0 0 334.416 3.146 10 5 EGBERN Cc1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000562413506 315831067 /nfs/dbraw/zinc/83/10/67/315831067.db2.gz FZTASYAUUTYKLJ-SNVBAGLBSA-N 0 0 326.356 3.313 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(CCCn2ccnc2)CC1 ZINC000563423755 316019357 /nfs/dbraw/zinc/01/93/57/316019357.db2.gz IZTHFKDAYZXXOG-UHFFFAOYSA-N 0 0 344.415 3.497 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000563426413 316019613 /nfs/dbraw/zinc/01/96/13/316019613.db2.gz LTOAJWMLWSOWMA-KBXCAEBGSA-N 0 0 346.358 3.321 10 5 EGBERN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000563751998 316064159 /nfs/dbraw/zinc/06/41/59/316064159.db2.gz WLRQVJCHXGUXIV-OAHLLOKOSA-N 0 0 334.416 3.457 10 5 EGBERN C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000564217021 316125009 /nfs/dbraw/zinc/12/50/09/316125009.db2.gz WAFDNAMAOLRLIU-LLVKDONJSA-N 0 0 332.404 3.352 10 5 EGBERN O=C([C@@H]1CCCC[C@@H]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565022416 316250438 /nfs/dbraw/zinc/25/04/38/316250438.db2.gz ZKFLYNJTJASALR-HZPDHXFCSA-N 0 0 329.400 3.091 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)c1 ZINC000565209929 316290886 /nfs/dbraw/zinc/29/08/86/316290886.db2.gz UBMXDPVYDDWZRX-LBPRGKRZSA-N 0 0 329.331 3.067 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000565226335 316294461 /nfs/dbraw/zinc/29/44/61/316294461.db2.gz JYYANZLLEHKOCD-FMKPAKJESA-N 0 0 349.431 3.297 10 5 EGBERN CCn1c(C)cc(C(=O)COc2c(C)c(C)ncc2[N+](=O)[O-])c1C ZINC000565241611 316298253 /nfs/dbraw/zinc/29/82/53/316298253.db2.gz HQPPLFLVAIOLHH-UHFFFAOYSA-N 0 0 331.372 3.307 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](OCC(F)(F)F)C3)nc2c1 ZINC000569553475 316930545 /nfs/dbraw/zinc/93/05/45/316930545.db2.gz RXEPVGYSSXVFHY-JTQLQIEISA-N 0 0 344.293 3.019 10 5 EGBERN C[C@H]1CC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)C1 ZINC000571171997 317161466 /nfs/dbraw/zinc/16/14/66/317161466.db2.gz HWVNOPRVRXVTFB-NXEZZACHSA-N 0 0 326.343 3.356 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000573705854 317520948 /nfs/dbraw/zinc/52/09/48/317520948.db2.gz JZRHSHIXFCZUHI-GXSJLCMTSA-N 0 0 346.305 3.467 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC000574171624 317568924 /nfs/dbraw/zinc/56/89/24/317568924.db2.gz OJHZJNZUBAARIG-HNNXBMFYSA-N 0 0 325.368 3.236 10 5 EGBERN O=[N+]([O-])c1ccc(NCCOc2ccc(Br)cc2)cn1 ZINC000574556144 317610975 /nfs/dbraw/zinc/61/09/75/317610975.db2.gz WNPYMXCSJIUPNT-UHFFFAOYSA-N 0 0 338.161 3.243 10 5 EGBERN Cc1noc(CCNc2cc(C)c([N+](=O)[O-])cc2Br)n1 ZINC000235970842 456154163 /nfs/dbraw/zinc/15/41/63/456154163.db2.gz SGXFNXLGAXXRAL-UHFFFAOYSA-N 0 0 341.165 3.012 10 5 EGBERN CCN(C)C(=O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302383593 456338119 /nfs/dbraw/zinc/33/81/19/456338119.db2.gz DXUHCNHXTLSLLO-UHFFFAOYSA-N 0 0 339.701 3.157 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974195 323324113 /nfs/dbraw/zinc/32/41/13/323324113.db2.gz APBCVQCSAUROTE-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000179444516 323388370 /nfs/dbraw/zinc/38/83/70/323388370.db2.gz RFAAISVGNDGQMI-PIGZYNQJSA-N 0 0 325.368 3.352 10 5 EGBERN Cc1nc2sccn2c1-c1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000350947267 324144951 /nfs/dbraw/zinc/14/49/51/324144951.db2.gz NEANECGHCRCJHC-UHFFFAOYSA-N 0 0 342.340 3.033 10 5 EGBERN Cc1nc(C(C)C)sc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350954676 324145462 /nfs/dbraw/zinc/14/54/62/324145462.db2.gz KMQQIIDKDOLFSG-UHFFFAOYSA-N 0 0 348.388 3.242 10 5 EGBERN COCC(C)(C)Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000351238647 324205706 /nfs/dbraw/zinc/20/57/06/324205706.db2.gz VONHOVFIUMZQMK-UHFFFAOYSA-N 0 0 344.371 3.265 10 5 EGBERN C[C@H]1CCn2ncc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C1 ZINC000351321818 324225229 /nfs/dbraw/zinc/22/52/29/324225229.db2.gz GLXMEKOWHAPBPM-JTQLQIEISA-N 0 0 325.328 3.091 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnn3c2C[C@@H](C)CC3)n1 ZINC000576399021 324606840 /nfs/dbraw/zinc/60/68/40/324606840.db2.gz FIEVGIJYUCGXQC-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN CO[C@](C)(c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000577446205 324806664 /nfs/dbraw/zinc/80/66/64/324806664.db2.gz HHDUUXGVUPFIRK-HNNXBMFYSA-N 0 0 337.763 3.494 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(OC)cn1 ZINC000578664714 325001563 /nfs/dbraw/zinc/00/15/63/325001563.db2.gz VOHYWYVAZINBGG-UHFFFAOYSA-N 0 0 348.384 3.148 10 5 EGBERN CS[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000578913108 325036699 /nfs/dbraw/zinc/03/66/99/325036699.db2.gz LQBZBSFFMOFPMK-CYBMUJFWSA-N 0 0 346.399 3.309 10 5 EGBERN CCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000580864045 325302558 /nfs/dbraw/zinc/30/25/58/325302558.db2.gz AMEDCBNYPFFPPL-LBPRGKRZSA-N 0 0 342.351 3.263 10 5 EGBERN Cc1cc(N2CCC[C@H](Nc3c(C)cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000580866392 325302615 /nfs/dbraw/zinc/30/26/15/325302615.db2.gz OXOQHRAEAFDICC-AWEZNQCLSA-N 0 0 329.404 3.026 10 5 EGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173205497 455247244 /nfs/dbraw/zinc/24/72/44/455247244.db2.gz QBFKPWAHSQIDGH-ZJUUUORDSA-N 0 0 332.809 3.057 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173214432 455249019 /nfs/dbraw/zinc/24/90/19/455249019.db2.gz URSHHAGJQCXWML-VHSXEESVSA-N 0 0 332.809 3.057 10 5 EGBERN Cc1sc(S(=O)(=O)NC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000559129826 459238003 /nfs/dbraw/zinc/23/80/03/459238003.db2.gz AJYYZUOXSIXANK-UHFFFAOYSA-N 0 0 332.447 3.068 10 5 EGBERN CCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000173269194 455256906 /nfs/dbraw/zinc/25/69/06/455256906.db2.gz NJALZRLOMJMZJE-OAHLLOKOSA-N 0 0 326.352 3.411 10 5 EGBERN COc1cc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc(OC)c1OC ZINC000000100958 452505939 /nfs/dbraw/zinc/50/59/39/452505939.db2.gz JUGUCDBIOOLMTO-QGZVFWFLSA-N 0 0 343.335 3.464 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2SCc1ccccc1 ZINC000000169968 452524478 /nfs/dbraw/zinc/52/44/78/452524478.db2.gz LMIUJUNCERPCJI-CQSZACIVSA-N 0 0 335.406 3.357 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000600673556 460564279 /nfs/dbraw/zinc/56/42/79/460564279.db2.gz NYMSYWYMZLJWKM-UHFFFAOYSA-N 0 0 343.305 3.350 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000173446511 455284629 /nfs/dbraw/zinc/28/46/29/455284629.db2.gz ZUPNVYLNCDCSNU-AWEZNQCLSA-N 0 0 344.371 3.007 10 5 EGBERN Cc1ccc(OC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)nc1 ZINC000181199474 455302372 /nfs/dbraw/zinc/30/23/72/455302372.db2.gz KGYBWKFYAKERRQ-UHFFFAOYSA-N 0 0 347.396 3.043 10 5 EGBERN COc1c(C(=O)NCC2(C(F)(F)F)CCCC2)cccc1[N+](=O)[O-] ZINC000600699531 460572987 /nfs/dbraw/zinc/57/29/87/460572987.db2.gz BKLOHGQLGMJYEV-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000005616926 452887488 /nfs/dbraw/zinc/88/74/88/452887488.db2.gz PTVCOSDQBMQMPT-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1C ZINC000007549270 453086160 /nfs/dbraw/zinc/08/61/60/453086160.db2.gz BRFPJVXOOGHCAT-GFCCVEGCSA-N 0 0 330.340 3.393 10 5 EGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2ccccc21 ZINC000008562330 453215737 /nfs/dbraw/zinc/21/57/37/453215737.db2.gz MZVYEPMSSVVEPI-CYBMUJFWSA-N 0 0 326.352 3.342 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000184052763 455349166 /nfs/dbraw/zinc/34/91/66/455349166.db2.gz QXHVNZLKCCWOPH-SNVBAGLBSA-N 0 0 349.412 3.292 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](CCc1ccccc1)C(F)F ZINC000600795483 460608698 /nfs/dbraw/zinc/60/86/98/460608698.db2.gz XYPVBHJZYBZLQA-CYBMUJFWSA-N 0 0 337.326 3.261 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600803324 460609804 /nfs/dbraw/zinc/60/98/04/460609804.db2.gz GTEAJLNCNYBCEV-XQJDBVBESA-N 0 0 346.383 3.184 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600803490 460609825 /nfs/dbraw/zinc/60/98/25/460609825.db2.gz JUPIOJRGWLQYLZ-AWEZNQCLSA-N 0 0 340.383 3.091 10 5 EGBERN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC000600809734 460612630 /nfs/dbraw/zinc/61/26/30/460612630.db2.gz DPLSTMCNEFOUTI-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN O=[N+]([O-])c1c(NCc2cnn(-c3ccccc3)c2)nc2sccn21 ZINC000022135642 453687157 /nfs/dbraw/zinc/68/71/57/453687157.db2.gz JBVXSJOUYAWFGJ-UHFFFAOYSA-N 0 0 340.368 3.102 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C)o2)cc1OC ZINC000024396630 453732974 /nfs/dbraw/zinc/73/29/74/453732974.db2.gz HNIIMAVXYTXDFM-UHFFFAOYSA-N 0 0 348.355 3.176 10 5 EGBERN COc1ccc(OCc2nc(C)c3ccccc3n2)c([N+](=O)[O-])c1 ZINC000025956708 453790608 /nfs/dbraw/zinc/79/06/08/453790608.db2.gz CKOAGKVDUCLPLK-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889490 453832443 /nfs/dbraw/zinc/83/24/43/453832443.db2.gz KRNGQEHLGKQGOO-MRXNPFEDSA-N 0 0 344.754 3.141 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000066708984 453865332 /nfs/dbraw/zinc/86/53/32/453865332.db2.gz RKJUFKSKHJJABH-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1ccoc1C(=O)N1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000075148120 453867041 /nfs/dbraw/zinc/86/70/41/453867041.db2.gz CAIUNQDIJZKRJH-UHFFFAOYSA-N 0 0 341.367 3.316 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000053582899 453889461 /nfs/dbraw/zinc/88/94/61/453889461.db2.gz IYEGEXCPICURCY-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN CCCn1nccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000075598492 453909182 /nfs/dbraw/zinc/90/91/82/453909182.db2.gz KSUXUKLCPBHCOD-LLVKDONJSA-N 0 0 334.401 3.321 10 5 EGBERN Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000075679935 453917036 /nfs/dbraw/zinc/91/70/36/453917036.db2.gz HFICJCVTMDKBNO-CQSZACIVSA-N 0 0 343.383 3.015 10 5 EGBERN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(CO)c1 ZINC000083170208 453941601 /nfs/dbraw/zinc/94/16/01/453941601.db2.gz SKCCKWBVGLUOCZ-UHFFFAOYSA-N 0 0 327.340 3.255 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H](C(C)C)N2CCCC2=O)cc1[N+](=O)[O-] ZINC000084808815 454011150 /nfs/dbraw/zinc/01/11/50/454011150.db2.gz NFGJBCXHHBPAIF-GUYCJALGSA-N 0 0 348.399 3.154 10 5 EGBERN CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)c1 ZINC000055765049 454014052 /nfs/dbraw/zinc/01/40/52/454014052.db2.gz OQTMMJZJSYAXKH-UHFFFAOYSA-N 0 0 347.396 3.275 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000085333763 454023402 /nfs/dbraw/zinc/02/34/02/454023402.db2.gz NNPAZAORSOSARV-NSHDSACASA-N 0 0 325.390 3.091 10 5 EGBERN CNC(=O)c1ccc(NCCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000068766227 454051119 /nfs/dbraw/zinc/05/11/19/454051119.db2.gz FKWRWOOVWSHAEQ-UHFFFAOYSA-N 0 0 331.347 3.138 10 5 EGBERN C[C@@H](c1ccccc1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000043531445 454067131 /nfs/dbraw/zinc/06/71/31/454067131.db2.gz CZMUWGSVMAAUAN-ZDUSSCGKSA-N 0 0 334.397 3.118 10 5 EGBERN C[C@H](c1nccs1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590284 455409300 /nfs/dbraw/zinc/40/93/00/455409300.db2.gz VVBMOBKPWGVPJZ-UONOGXRCSA-N 0 0 346.456 3.491 10 5 EGBERN CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000045165219 454142978 /nfs/dbraw/zinc/14/29/78/454142978.db2.gz GALXUZRQFQGIAM-UHFFFAOYSA-N 0 0 344.392 3.297 10 5 EGBERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000089830102 454210563 /nfs/dbraw/zinc/21/05/63/454210563.db2.gz UKSBMPYYOFIACD-AWEZNQCLSA-N 0 0 338.285 3.498 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2csc(N3CCCC3)n2)c(F)c1 ZINC000078340432 454235837 /nfs/dbraw/zinc/23/58/37/454235837.db2.gz WQVGUYTYKQNBLY-UHFFFAOYSA-N 0 0 336.392 3.445 10 5 EGBERN O=C(Cc1cnc2ccccc2c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000131382349 454249002 /nfs/dbraw/zinc/24/90/02/454249002.db2.gz NFDBADWFASHHCQ-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCC(=O)c1c[nH]c2ccccc12 ZINC000072068134 454271600 /nfs/dbraw/zinc/27/16/00/454271600.db2.gz IRFXQZOFIPKPHE-UHFFFAOYSA-N 0 0 326.308 3.346 10 5 EGBERN Cc1c(Br)c(N2CC[C@@H](C)[C@H](F)C2)ncc1[N+](=O)[O-] ZINC000612449946 460631510 /nfs/dbraw/zinc/63/15/10/460631510.db2.gz PRDKJSUIOSFPFM-VXNVDRBHSA-N 0 0 332.173 3.245 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1O ZINC000612449151 460631725 /nfs/dbraw/zinc/63/17/25/460631725.db2.gz HEJICIDDGPDDAP-YPMHNXCESA-N 0 0 344.358 3.430 10 5 EGBERN CC[C@@H](NC(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090424925 454304090 /nfs/dbraw/zinc/30/40/90/454304090.db2.gz KTEPWSZUYNQFMN-LLVKDONJSA-N 0 0 336.335 3.458 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c(Cl)cn1 ZINC000072530054 454304855 /nfs/dbraw/zinc/30/48/55/454304855.db2.gz PKEQWJYTZOMOFT-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090466845 454309354 /nfs/dbraw/zinc/30/93/54/454309354.db2.gz IBPVECGXKUIYGS-HNNXBMFYSA-N 0 0 342.351 3.247 10 5 EGBERN CC[C@H](NC(=O)NCCc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000090564043 454323015 /nfs/dbraw/zinc/32/30/15/454323015.db2.gz KIGSPZUXPOQUNF-KRWDZBQOSA-N 0 0 342.399 3.291 10 5 EGBERN CCN(CC(=O)Nc1ccccc1OC)Cc1csc([N+](=O)[O-])c1 ZINC000047265330 454348345 /nfs/dbraw/zinc/34/83/45/454348345.db2.gz SAVYIPAQPMYEAY-UHFFFAOYSA-N 0 0 349.412 3.126 10 5 EGBERN Cc1ncsc1-c1nc(CNc2cccc([N+](=O)[O-])c2C)no1 ZINC000132789815 454365893 /nfs/dbraw/zinc/36/58/93/454365893.db2.gz QRLDONILVCYJFR-UHFFFAOYSA-N 0 0 331.357 3.330 10 5 EGBERN COc1ncccc1N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000132947294 454379546 /nfs/dbraw/zinc/37/95/46/454379546.db2.gz DLYQFLZHMVBDFV-NSHDSACASA-N 0 0 347.396 3.142 10 5 EGBERN Cc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)o1 ZINC000047630675 454392414 /nfs/dbraw/zinc/39/24/14/454392414.db2.gz MHFHTSPAIHFZGA-UHFFFAOYSA-N 0 0 331.372 3.006 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cn2c3ccccc3nc2[C@H](C)O)c1 ZINC000097082436 454400740 /nfs/dbraw/zinc/40/07/40/454400740.db2.gz WODQAGZNUKWIMN-NSHDSACASA-N 0 0 327.340 3.055 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000121340347 454422206 /nfs/dbraw/zinc/42/22/06/454422206.db2.gz ACIZYRDUTDESKI-GFCCVEGCSA-N 0 0 326.418 3.353 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133535307 454436542 /nfs/dbraw/zinc/43/65/42/454436542.db2.gz KSSPFNWOSPKKAI-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000133552731 454438577 /nfs/dbraw/zinc/43/85/77/454438577.db2.gz HKSFWUVKEXLDBM-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1cc(N2CCN([C@H](C)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000091628921 454451794 /nfs/dbraw/zinc/45/17/94/454451794.db2.gz RSNHDWFFOADQJT-CQSZACIVSA-N 0 0 344.390 3.321 10 5 EGBERN Cc1nc(N2CCN([C@H](C)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000091628926 454451833 /nfs/dbraw/zinc/45/18/33/454451833.db2.gz NJEOVFGLZLUXCM-CQSZACIVSA-N 0 0 344.390 3.321 10 5 EGBERN Cc1ccnc(N2CCN([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629024 454452986 /nfs/dbraw/zinc/45/29/86/454452986.db2.gz JOLLHRWSLFTPQJ-CQSZACIVSA-N 0 0 344.390 3.321 10 5 EGBERN Cc1c(CC(=O)NCc2ccn(C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000133790176 454467826 /nfs/dbraw/zinc/46/78/26/454467826.db2.gz LTAXOEGSYILHIY-UHFFFAOYSA-N 0 0 342.399 3.074 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c2)n[nH]1 ZINC000079715964 454467936 /nfs/dbraw/zinc/46/79/36/454467936.db2.gz QJYLQBFRALLTGV-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000064332223 454473763 /nfs/dbraw/zinc/47/37/63/454473763.db2.gz IDZBMXSQKVRFOE-GFCCVEGCSA-N 0 0 338.367 3.130 10 5 EGBERN CCOc1cccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000133891886 454480475 /nfs/dbraw/zinc/48/04/75/454480475.db2.gz CHROQBHNERNDMG-UHFFFAOYSA-N 0 0 342.395 3.203 10 5 EGBERN C[C@@H](C(=O)Nc1cnn(C)c1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000612485447 460639050 /nfs/dbraw/zinc/63/90/50/460639050.db2.gz MJIPOHBEIFDXFX-SSDOTTSWSA-N 0 0 342.277 3.147 10 5 EGBERN C[C@H](NC(=O)COc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000102600071 454510252 /nfs/dbraw/zinc/51/02/52/454510252.db2.gz REAIJBPMOUQCFZ-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1sc(C(=O)Nc2n[nH]c(C(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000050007335 454567920 /nfs/dbraw/zinc/56/79/20/454567920.db2.gz FCYJFDCRUUNPCH-UHFFFAOYSA-N 0 0 334.279 3.267 10 5 EGBERN CCc1cc(C)c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000135008357 454622903 /nfs/dbraw/zinc/62/29/03/454622903.db2.gz HNAPVCWTDLPMHR-UHFFFAOYSA-N 0 0 343.383 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000066001261 454649185 /nfs/dbraw/zinc/64/91/85/454649185.db2.gz DGFRMVDAYVKIOO-UHFFFAOYSA-N 0 0 344.458 3.390 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000052218632 454663348 /nfs/dbraw/zinc/66/33/48/454663348.db2.gz GOEQZVWEMSMONF-OKILXGFUSA-N 0 0 342.399 3.216 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080976403 454664551 /nfs/dbraw/zinc/66/45/51/454664551.db2.gz ATIYKJXJPXQJEM-UHFFFAOYSA-N 0 0 327.262 3.214 10 5 EGBERN Cc1nc(C2(NCCCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000161611875 454707785 /nfs/dbraw/zinc/70/77/85/454707785.db2.gz CTDUIHIIBLGTFE-UHFFFAOYSA-N 0 0 346.387 3.114 10 5 EGBERN COc1ccc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000106660117 454710145 /nfs/dbraw/zinc/71/01/45/454710145.db2.gz YBTIHIAJQPEAKW-UHFFFAOYSA-N 0 0 345.355 3.346 10 5 EGBERN Cc1cc(C)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000600940065 460652545 /nfs/dbraw/zinc/65/25/45/460652545.db2.gz FRJPCVMOLBSIGQ-UHFFFAOYSA-N 0 0 334.397 3.030 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)c1ccccc1 ZINC000107505116 454760558 /nfs/dbraw/zinc/76/05/58/454760558.db2.gz PGPFEERHDQQMKS-UHFFFAOYSA-N 0 0 327.384 3.112 10 5 EGBERN CN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000137011963 454765202 /nfs/dbraw/zinc/76/52/02/454765202.db2.gz FEBMPYUMGBPJSL-UHFFFAOYSA-N 0 0 346.774 3.340 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000162420744 454774116 /nfs/dbraw/zinc/77/41/16/454774116.db2.gz NJZXKIANWYSYNB-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN CCCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000108235929 454790230 /nfs/dbraw/zinc/79/02/30/454790230.db2.gz XVKDWWYMLVWKSO-LBPRGKRZSA-N 0 0 326.418 3.386 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125412669 454819228 /nfs/dbraw/zinc/81/92/28/454819228.db2.gz XVEMUACRFHNPCA-MLGOLLRUSA-N 0 0 342.399 3.245 10 5 EGBERN CN(Cc1ccc([S@](C)=O)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153909773 454846184 /nfs/dbraw/zinc/84/61/84/454846184.db2.gz LDODHZYFXJSEAX-JOCHJYFZSA-N 0 0 339.804 3.017 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(COC(C)C)c1 ZINC000145947876 454856144 /nfs/dbraw/zinc/85/61/44/454856144.db2.gz OLKWAEPMZBNICK-UHFFFAOYSA-N 0 0 329.356 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000150980279 454921581 /nfs/dbraw/zinc/92/15/81/454921581.db2.gz YFAQZBCAHNZCKC-UHFFFAOYSA-N 0 0 325.324 3.040 10 5 EGBERN Cc1sc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1[N+](=O)[O-] ZINC000150998847 454923746 /nfs/dbraw/zinc/92/37/46/454923746.db2.gz XNIMVGBKPSIMHY-UHFFFAOYSA-N 0 0 349.397 3.074 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167841796 454923994 /nfs/dbraw/zinc/92/39/94/454923994.db2.gz UMJQIFIZIWMEGJ-GJZGRUSLSA-N 0 0 329.404 3.325 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2SCC)cc1[N+](=O)[O-] ZINC000178074122 454932980 /nfs/dbraw/zinc/93/29/80/454932980.db2.gz PALRSVGWSIUDOK-DOMZBBRYSA-N 0 0 338.429 3.398 10 5 EGBERN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000170620029 454943746 /nfs/dbraw/zinc/94/37/46/454943746.db2.gz PEFPTLMHNVFAFJ-SFHVURJKSA-N 0 0 339.351 3.301 10 5 EGBERN Cc1oc2ncnc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c2c1C ZINC000155170030 454970129 /nfs/dbraw/zinc/97/01/29/454970129.db2.gz WTPZBXFVRIUZFD-UHFFFAOYSA-N 0 0 340.339 3.237 10 5 EGBERN Cc1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)s1 ZINC000179037947 455001674 /nfs/dbraw/zinc/00/16/74/455001674.db2.gz QUCHFDYSKKKZTP-UHFFFAOYSA-N 0 0 331.397 3.473 10 5 EGBERN Cc1ccc(-c2csc(NC(=O)Cc3ccon3)n2)cc1[N+](=O)[O-] ZINC000151583196 455003987 /nfs/dbraw/zinc/00/39/87/455003987.db2.gz AYITZJDTDIRAJF-UHFFFAOYSA-N 0 0 344.352 3.196 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000171054938 455022757 /nfs/dbraw/zinc/02/27/57/455022757.db2.gz GTBPYNNECOCAGI-GFCCVEGCSA-N 0 0 329.356 3.353 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)o1 ZINC000128872052 455088874 /nfs/dbraw/zinc/08/88/74/455088874.db2.gz RIPAEGYEACGBNV-GFCCVEGCSA-N 0 0 340.339 3.173 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179941741 455102597 /nfs/dbraw/zinc/10/25/97/455102597.db2.gz WCWAQPLUIIEHII-UHFFFAOYSA-N 0 0 348.742 3.249 10 5 EGBERN CN(Cc1cnccn1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000172158651 455129266 /nfs/dbraw/zinc/12/92/66/455129266.db2.gz RWXFRHIJDMTANX-UHFFFAOYSA-N 0 0 328.375 3.450 10 5 EGBERN Cc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000129899812 455132996 /nfs/dbraw/zinc/13/29/96/455132996.db2.gz LHSDISYOTGNZMY-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN COc1cccc(Cl)c1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156627182 455140140 /nfs/dbraw/zinc/14/01/40/455140140.db2.gz PSMDILBBWCJGLY-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172450307 455154791 /nfs/dbraw/zinc/15/47/91/455154791.db2.gz ZDFBHLGSFLZLLM-SECBINFHSA-N 0 0 329.194 3.379 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000189319063 455176009 /nfs/dbraw/zinc/17/60/09/455176009.db2.gz SYBHQRUDKXJUSZ-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN CCOC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000180483607 455179468 /nfs/dbraw/zinc/17/94/68/455179468.db2.gz BHHMPSXQIGZEBI-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN O=[N+]([O-])c1cnc(Oc2ccc(CCO)cc2)c(Br)c1 ZINC000157303466 455182417 /nfs/dbraw/zinc/18/24/17/455182417.db2.gz RAKGBWXTZLABJK-UHFFFAOYSA-N 0 0 339.145 3.079 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000172869136 455200101 /nfs/dbraw/zinc/20/01/01/455200101.db2.gz LMLRTJKHPIBEIO-SNVBAGLBSA-N 0 0 349.774 3.149 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccncc1 ZINC000183642707 455315587 /nfs/dbraw/zinc/31/55/87/455315587.db2.gz QMWFHEREJOGWDE-QGZVFWFLSA-N 0 0 349.350 3.296 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265754095 455374538 /nfs/dbraw/zinc/37/45/38/455374538.db2.gz IMIIMPLHHHYSKP-UHFFFAOYSA-N 0 0 340.379 3.470 10 5 EGBERN Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000174512521 455399649 /nfs/dbraw/zinc/39/96/49/455399649.db2.gz NMRMCEIZZGXZNC-KRWDZBQOSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNc1cccc(F)c1 ZINC000182129816 455442652 /nfs/dbraw/zinc/44/26/52/455442652.db2.gz YSAATKIHSNIKFG-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN C[C@@H](c1ccccc1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182178083 455453644 /nfs/dbraw/zinc/45/36/44/455453644.db2.gz BSIWEYZXDWTYKM-AWEZNQCLSA-N 0 0 348.424 3.062 10 5 EGBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191184894 455460033 /nfs/dbraw/zinc/46/00/33/455460033.db2.gz HSHFGVXPNYYUJP-DGFSRKRXSA-N 0 0 338.791 3.022 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000160529623 455470900 /nfs/dbraw/zinc/47/09/00/455470900.db2.gz AADCDVRGQMBVJO-ZDUSSCGKSA-N 0 0 347.371 3.479 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)Sc3ccccc32)n1 ZINC000191481913 455488302 /nfs/dbraw/zinc/48/83/02/455488302.db2.gz BWAIRTDTLDRMHA-LLVKDONJSA-N 0 0 346.412 3.342 10 5 EGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000191501478 455491225 /nfs/dbraw/zinc/49/12/25/455491225.db2.gz KYJDCVABOKKRKQ-GFCCVEGCSA-N 0 0 336.779 3.346 10 5 EGBERN CC[C@@H](NCc1cc(-c2cnn(C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000185055957 455492799 /nfs/dbraw/zinc/49/27/99/455492799.db2.gz QLLOHFMWZPIWTQ-MRXNPFEDSA-N 0 0 341.371 3.224 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364179 455498388 /nfs/dbraw/zinc/49/83/88/455498388.db2.gz FZDBRPDBYOFNFV-FVQBIDKESA-N 0 0 340.807 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2C)C(C)C)n1 ZINC000191613250 455503347 /nfs/dbraw/zinc/50/33/47/455503347.db2.gz SRXJMFISOGYKRW-OAHLLOKOSA-N 0 0 330.388 3.247 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CC[C@H](C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160859465 455505487 /nfs/dbraw/zinc/50/54/87/455505487.db2.gz SBFROAFNVQFMRU-MGPLVRAMSA-N 0 0 329.356 3.211 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C(C)(C)C)n1 ZINC000191700720 455511111 /nfs/dbraw/zinc/51/11/11/455511111.db2.gz AZMREPAGASASSE-UHFFFAOYSA-N 0 0 330.388 3.252 10 5 EGBERN CC1(C)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267904784 455562076 /nfs/dbraw/zinc/56/20/76/455562076.db2.gz AFMBTQGIZKPWCT-SECBINFHSA-N 0 0 331.141 3.025 10 5 EGBERN COc1ccccc1NC(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000185648676 455589313 /nfs/dbraw/zinc/58/93/13/455589313.db2.gz OLGHEAFPUCWMKE-UHFFFAOYSA-N 0 0 334.303 3.068 10 5 EGBERN COC(=O)[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC000185780260 455620617 /nfs/dbraw/zinc/62/06/17/455620617.db2.gz DZUAPJLWODLJCR-AWEZNQCLSA-N 0 0 338.360 3.108 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000247573809 455626733 /nfs/dbraw/zinc/62/67/33/455626733.db2.gz XDMDHIDZTMYUIJ-WFASDCNBSA-N 0 0 329.356 3.352 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCCO1 ZINC000277769606 455661156 /nfs/dbraw/zinc/66/11/56/455661156.db2.gz SGXAXAANHRTKBG-ZDUSSCGKSA-N 0 0 336.391 3.345 10 5 EGBERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000248830936 455733444 /nfs/dbraw/zinc/73/34/44/455733444.db2.gz LRZROOIDZVERBT-BHYNMZESSA-N 0 0 349.774 3.348 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000268943387 455739587 /nfs/dbraw/zinc/73/95/87/455739587.db2.gz GINUSHAFHHFLQD-YVARQFDVSA-N 0 0 346.383 3.295 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000278063411 455748332 /nfs/dbraw/zinc/74/83/32/455748332.db2.gz NIZOSAXXTZBZCA-CHWSQXEVSA-N 0 0 336.391 3.391 10 5 EGBERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282548 455750227 /nfs/dbraw/zinc/75/02/27/455750227.db2.gz XJDUSDQBCQFURQ-STQMWFEESA-N 0 0 331.372 3.482 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000272228648 455884214 /nfs/dbraw/zinc/88/42/14/455884214.db2.gz VGPDFZIXWUYLOV-MLGOLLRUSA-N 0 0 341.367 3.050 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000194846213 455890945 /nfs/dbraw/zinc/89/09/45/455890945.db2.gz CZPALXDKEYGZDT-CYBMUJFWSA-N 0 0 332.381 3.178 10 5 EGBERN COc1c(O)cccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000272272445 455897541 /nfs/dbraw/zinc/89/75/41/455897541.db2.gz LQTRRLYYQNRGCD-UHFFFAOYSA-N 0 0 328.368 3.474 10 5 EGBERN CC1(C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280307004 455942337 /nfs/dbraw/zinc/94/23/37/455942337.db2.gz PFWSECDHQASZHI-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN C[C@H](Cc1cccs1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195493701 455969207 /nfs/dbraw/zinc/96/92/07/455969207.db2.gz UTIBTOHAHRPPIR-SNVBAGLBSA-N 0 0 329.381 3.499 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000272521494 455980731 /nfs/dbraw/zinc/98/07/31/455980731.db2.gz IYMSOFOQHYRIAW-OAHLLOKOSA-N 0 0 340.379 3.444 10 5 EGBERN Cc1nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1C1CC1 ZINC000601087811 460705398 /nfs/dbraw/zinc/70/53/98/460705398.db2.gz ICTFAVPSYAXGLF-UHFFFAOYSA-N 0 0 347.396 3.447 10 5 EGBERN COC(C)(C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280551048 455997192 /nfs/dbraw/zinc/99/71/92/455997192.db2.gz IVLNTSPOHNQQDZ-UHFFFAOYSA-N 0 0 345.193 3.419 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000270756689 456030655 /nfs/dbraw/zinc/03/06/55/456030655.db2.gz DNBBEUIJFDSPLY-OAHLLOKOSA-N 0 0 346.362 3.129 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC000270790498 456039377 /nfs/dbraw/zinc/03/93/77/456039377.db2.gz ATCSLZPYARDUPM-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301290215 456082187 /nfs/dbraw/zinc/08/21/87/456082187.db2.gz NDUSLRQWVKXTOI-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(SC)CCOCC2)c1 ZINC000301481588 456127034 /nfs/dbraw/zinc/12/70/34/456127034.db2.gz SIPKBGSNOUVTOS-UHFFFAOYSA-N 0 0 330.381 3.067 10 5 EGBERN CCS[C@@H]1CC[C@]1(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301503827 456131799 /nfs/dbraw/zinc/13/17/99/456131799.db2.gz YSVYBJNHMIYTCS-CVEARBPZSA-N 0 0 333.413 3.202 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000301520478 456137025 /nfs/dbraw/zinc/13/70/25/456137025.db2.gz GQKYFZPQJOJFOP-CYBMUJFWSA-N 0 0 346.225 3.351 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)CCSCC2)c(Br)c1 ZINC000301530916 456139888 /nfs/dbraw/zinc/13/98/88/456139888.db2.gz JUQOUTKJUCVNMZ-UHFFFAOYSA-N 0 0 347.234 3.027 10 5 EGBERN COc1cc(NCCc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC000301666988 456179018 /nfs/dbraw/zinc/17/90/18/456179018.db2.gz OTOCKROUGJEAFJ-UHFFFAOYSA-N 0 0 325.727 3.446 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCc4ccc(F)cc43)cc2N1 ZINC000301684152 456184810 /nfs/dbraw/zinc/18/48/10/456184810.db2.gz KURCSAQZUVSXSO-GFCCVEGCSA-N 0 0 343.314 3.164 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C(C)(C)C)s1 ZINC000281285831 456190668 /nfs/dbraw/zinc/19/06/68/456190668.db2.gz TXEIIRGELSBOIM-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281316621 456199557 /nfs/dbraw/zinc/19/95/57/456199557.db2.gz IWSDOOGGMJSFAM-INIZCTEOSA-N 0 0 343.387 3.396 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cnc(C2CC2)nc1 ZINC000297425590 456217771 /nfs/dbraw/zinc/21/77/71/456217771.db2.gz OYDMJRJBSOBFTJ-UHFFFAOYSA-N 0 0 333.731 3.443 10 5 EGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000301823489 456224101 /nfs/dbraw/zinc/22/41/01/456224101.db2.gz HVFGALYFYLZXQC-GXSJLCMTSA-N 0 0 330.369 3.281 10 5 EGBERN COc1ccc2cc(CNc3ccc4ncc([N+](=O)[O-])n4n3)ccc2c1 ZINC000301850252 456232414 /nfs/dbraw/zinc/23/24/14/456232414.db2.gz WMAFEJWCKJTPCU-UHFFFAOYSA-N 0 0 349.350 3.411 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@@H]3Cc3ccccc3)nn21 ZINC000301961856 456259314 /nfs/dbraw/zinc/25/93/14/456259314.db2.gz IGPYJPWHCGNIDC-HUUCEWRRSA-N 0 0 337.383 3.461 10 5 EGBERN C[C@@H]1C(=O)NCCCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC000189229279 456259362 /nfs/dbraw/zinc/25/93/62/456259362.db2.gz OWURGQZSTBGYEW-CQSZACIVSA-N 0 0 332.403 3.344 10 5 EGBERN CCOc1cc(N2CCC[C@@H]2Cn2ccnc2C)ccc1[N+](=O)[O-] ZINC000301967965 456261028 /nfs/dbraw/zinc/26/10/28/456261028.db2.gz XKABPKFZHAVGOG-OAHLLOKOSA-N 0 0 330.388 3.167 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCC(F)(F)C1 ZINC000601132172 460724014 /nfs/dbraw/zinc/72/40/14/460724014.db2.gz XJGOQJXBAFDWMK-LURJTMIESA-N 0 0 328.241 3.337 10 5 EGBERN Cc1[nH]c2ccccc2c1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302005326 456268486 /nfs/dbraw/zinc/26/84/86/456268486.db2.gz SODGDHZWAJSNEU-UHFFFAOYSA-N 0 0 336.355 3.082 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC000281714903 456299430 /nfs/dbraw/zinc/29/94/30/456299430.db2.gz CRKLNMAGEYURBE-HNNXBMFYSA-N 0 0 328.372 3.263 10 5 EGBERN CCN(C[C@@H]1CCCO1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275803990 456317961 /nfs/dbraw/zinc/31/79/61/456317961.db2.gz MZKLSHMZDIYYBX-LBPRGKRZSA-N 0 0 326.780 3.198 10 5 EGBERN C[C@@H]1CC(CNc2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000281801458 456324190 /nfs/dbraw/zinc/32/41/90/456324190.db2.gz IIRYHTICYAWQJE-RKDXNWHRSA-N 0 0 344.209 3.368 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000352813218 456329833 /nfs/dbraw/zinc/32/98/33/456329833.db2.gz AMAHDDKFZMCQSQ-SJORKVTESA-N 0 0 342.399 3.024 10 5 EGBERN CCOC(=O)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000281849934 456338934 /nfs/dbraw/zinc/33/89/34/456338934.db2.gz NKTCPUJLLHGCPO-UHFFFAOYSA-N 0 0 348.355 3.145 10 5 EGBERN CO[C@@H]1CC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737286 456386979 /nfs/dbraw/zinc/38/69/79/456386979.db2.gz BMWHLOKRUUXTLH-DZGCQCFKSA-N 0 0 328.372 3.340 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000347834305 456393877 /nfs/dbraw/zinc/39/38/77/456393877.db2.gz QZEGDONIDRCCLU-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000343101029 456408043 /nfs/dbraw/zinc/40/80/43/456408043.db2.gz RUQVECXMKPRSLX-LLVKDONJSA-N 0 0 333.413 3.219 10 5 EGBERN O=C(C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000302861831 456419330 /nfs/dbraw/zinc/41/93/30/456419330.db2.gz QMGXRDVLPDDOEL-UHFFFAOYSA-N 0 0 349.406 3.353 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccnc1)C1CC1 ZINC000340390128 456432697 /nfs/dbraw/zinc/43/26/97/456432697.db2.gz IAQYPHYQRPQGEA-SFHVURJKSA-N 0 0 325.368 3.190 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000340398164 456436079 /nfs/dbraw/zinc/43/60/79/456436079.db2.gz SYYLOTHSIDIQFP-GOSISDBHSA-N 0 0 341.367 3.026 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000303779069 456486862 /nfs/dbraw/zinc/48/68/62/456486862.db2.gz SDOYFQSISXNGPI-LBPRGKRZSA-N 0 0 338.367 3.313 10 5 EGBERN CN(Cc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000337703367 456492672 /nfs/dbraw/zinc/49/26/72/456492672.db2.gz HGWFJWPJLWQQDX-UHFFFAOYSA-N 0 0 329.385 3.088 10 5 EGBERN Cc1ccncc1N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000340518681 456505790 /nfs/dbraw/zinc/50/57/90/456505790.db2.gz QRJADXFETPYGRL-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000291097032 456527486 /nfs/dbraw/zinc/52/74/86/456527486.db2.gz SWOZNGWZEIPIBR-WMZOPIPTSA-N 0 0 349.431 3.240 10 5 EGBERN Cc1cc(NCc2cncn2C)c(Br)cc1[N+](=O)[O-] ZINC000291098913 456527591 /nfs/dbraw/zinc/52/75/91/456527591.db2.gz KHMYJINTVCGULQ-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CSCCS1 ZINC000276613787 456531668 /nfs/dbraw/zinc/53/16/68/456531668.db2.gz PVDYYCTVPMMNGQ-JTQLQIEISA-N 0 0 346.861 3.135 10 5 EGBERN CCc1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000353255427 456590568 /nfs/dbraw/zinc/59/05/68/456590568.db2.gz DNXXPZVXHACPFI-INIZCTEOSA-N 0 0 347.396 3.341 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000276856912 456601193 /nfs/dbraw/zinc/60/11/93/456601193.db2.gz JVEZAPRWVQQJCY-GJZGRUSLSA-N 0 0 337.420 3.141 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CCCN2 ZINC000324206154 456663523 /nfs/dbraw/zinc/66/35/23/456663523.db2.gz MZDCRQLQKNVVKL-UHFFFAOYSA-N 0 0 325.368 3.225 10 5 EGBERN COc1ccc(CNc2ccncc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000343509977 456669294 /nfs/dbraw/zinc/66/92/94/456669294.db2.gz AFKBYRQXUKLPKL-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN CCc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000340802206 456693341 /nfs/dbraw/zinc/69/33/41/456693341.db2.gz UTHOYEBWXHSYQP-UHFFFAOYSA-N 0 0 335.381 3.140 10 5 EGBERN O=[N+]([O-])c1cc2cnn(Cc3nc(-c4ccoc4)no3)c2c(Cl)c1 ZINC000340858267 456723140 /nfs/dbraw/zinc/72/31/40/456723140.db2.gz FCPPWIDLRMPMLV-UHFFFAOYSA-N 0 0 345.702 3.289 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301100749 456797183 /nfs/dbraw/zinc/79/71/83/456797183.db2.gz PZGZWSKTUPKBRG-UHFFFAOYSA-N 0 0 325.372 3.148 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610005 456801618 /nfs/dbraw/zinc/80/16/18/456801618.db2.gz VKPUIFDFRPNBSG-HOTGVXAUSA-N 0 0 326.400 3.340 10 5 EGBERN CC(=O)c1ccc(N[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301181234 456816037 /nfs/dbraw/zinc/81/60/37/456816037.db2.gz HWPYMIXDDFRVEO-HNNXBMFYSA-N 0 0 325.368 3.488 10 5 EGBERN Cc1n[nH]c(C)c1CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225147 456826664 /nfs/dbraw/zinc/82/66/64/456826664.db2.gz FRHZYTKCIYBWIT-UHFFFAOYSA-N 0 0 338.371 3.312 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000283710086 456828734 /nfs/dbraw/zinc/82/87/34/456828734.db2.gz YKUBZOIEHISUJJ-GFCCVEGCSA-N 0 0 326.393 3.022 10 5 EGBERN O=[N+]([O-])c1cccnc1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000301234136 456829415 /nfs/dbraw/zinc/82/94/15/456829415.db2.gz GVVLDLCRSWHSGV-LBPRGKRZSA-N 0 0 348.353 3.345 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341368856 456859879 /nfs/dbraw/zinc/85/98/79/456859879.db2.gz NNYVGIRHVBFZJZ-AWEZNQCLSA-N 0 0 330.315 3.214 10 5 EGBERN CCN(CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1C ZINC000348838537 456878098 /nfs/dbraw/zinc/87/80/98/456878098.db2.gz PQYZOGSEKQXLJX-UHFFFAOYSA-N 0 0 333.432 3.128 10 5 EGBERN Cc1sc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353771637 456899608 /nfs/dbraw/zinc/89/96/08/456899608.db2.gz ANDVGGUPLUSTFB-OPRDCNLKSA-N 0 0 332.447 3.020 10 5 EGBERN Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000353787282 456906533 /nfs/dbraw/zinc/90/65/33/456906533.db2.gz PYIVAIWQTYTRCD-UHFFFAOYSA-N 0 0 327.243 3.053 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC000341739550 456922870 /nfs/dbraw/zinc/92/28/70/456922870.db2.gz TWYNKZXJEQMQCW-UHFFFAOYSA-N 0 0 335.104 3.341 10 5 EGBERN C[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO[C@@H]1C1CC1 ZINC000345132630 456937151 /nfs/dbraw/zinc/93/71/51/456937151.db2.gz CUKCQLHGVULYCH-AEFFLSMTSA-N 0 0 343.383 3.011 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000341866261 456978297 /nfs/dbraw/zinc/97/82/97/456978297.db2.gz AJTUVLJLAVYQEJ-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000358844996 457001954 /nfs/dbraw/zinc/00/19/54/457001954.db2.gz AVOPVOBPHFLGPC-INIZCTEOSA-N 0 0 339.395 3.454 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(=O)Nc2ccccc21 ZINC000358870820 457015339 /nfs/dbraw/zinc/01/53/39/457015339.db2.gz KSHPHGMLEBQKSS-UHFFFAOYSA-N 0 0 345.742 3.156 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cc(C)ccc1[N+](=O)[O-])n2C ZINC000349744974 457036084 /nfs/dbraw/zinc/03/60/84/457036084.db2.gz NQMLEGPTDDSMCL-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN Cc1ncc(CNc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000349749612 457037265 /nfs/dbraw/zinc/03/72/65/457037265.db2.gz RRAJBDUKYIUNNH-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000330465482 457045998 /nfs/dbraw/zinc/04/59/98/457045998.db2.gz QBVLMLHUQHYLEP-SNVBAGLBSA-N 0 0 325.390 3.132 10 5 EGBERN CC(=O)Nc1ccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359087113 457051446 /nfs/dbraw/zinc/05/14/46/457051446.db2.gz WHDHITIIBNMEGA-UHFFFAOYSA-N 0 0 328.372 3.220 10 5 EGBERN Cc1noc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000359377669 457078261 /nfs/dbraw/zinc/07/82/61/457078261.db2.gz KJKCEKXIUIFJBX-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000356603176 457079487 /nfs/dbraw/zinc/07/94/87/457079487.db2.gz QSHVLJCGYVBSQL-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000354149956 457094963 /nfs/dbraw/zinc/09/49/63/457094963.db2.gz QXBAQTZLXAFWHP-AEFFLSMTSA-N 0 0 347.415 3.258 10 5 EGBERN C[C@@H](F)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000356710371 457128024 /nfs/dbraw/zinc/12/80/24/457128024.db2.gz OKFLYNMMIMMBFI-SECBINFHSA-N 0 0 348.324 3.437 10 5 EGBERN Cn1cncc1CCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356739268 457143344 /nfs/dbraw/zinc/14/33/44/457143344.db2.gz ROWSIRLMRUIOHX-UHFFFAOYSA-N 0 0 330.388 3.197 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]1C ZINC000356753914 457150757 /nfs/dbraw/zinc/15/07/57/457150757.db2.gz ZLRGCJLHLRIGAN-JMCQJSRRSA-N 0 0 327.178 3.194 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356758699 457153241 /nfs/dbraw/zinc/15/32/41/457153241.db2.gz QTMOVGBELLVKRN-LDYMZIIASA-N 0 0 332.278 3.064 10 5 EGBERN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000346773958 457162857 /nfs/dbraw/zinc/16/28/57/457162857.db2.gz DXUZSCMGXORZPX-UHFFFAOYSA-N 0 0 330.771 3.488 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000342364252 457256903 /nfs/dbraw/zinc/25/69/03/457256903.db2.gz VTRFMZDXCUOGLI-NSHDSACASA-N 0 0 329.360 3.137 10 5 EGBERN COc1c(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cccc1[N+](=O)[O-] ZINC000347149324 457257215 /nfs/dbraw/zinc/25/72/15/457257215.db2.gz SXGIRDVWZVRLEF-UHFFFAOYSA-N 0 0 343.343 3.272 10 5 EGBERN CCOc1cc(CN2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771677 457260777 /nfs/dbraw/zinc/26/07/77/457260777.db2.gz KUNWXJPRPFOTCA-INIZCTEOSA-N 0 0 334.416 3.385 10 5 EGBERN Cc1sc(C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000354529220 457271714 /nfs/dbraw/zinc/27/17/14/457271714.db2.gz GIJKJFGCSFDFOS-JTQLQIEISA-N 0 0 338.772 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cc(F)cc3cccnc32)cc1 ZINC000357100461 457322231 /nfs/dbraw/zinc/32/22/31/457322231.db2.gz WZKXNLRPPPIJDA-UHFFFAOYSA-N 0 0 346.339 3.256 10 5 EGBERN CSC[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347271493 457322635 /nfs/dbraw/zinc/32/26/35/457322635.db2.gz WONBTHQAWPOPNC-SSDOTTSWSA-N 0 0 333.207 3.295 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC000342488238 457331054 /nfs/dbraw/zinc/33/10/54/457331054.db2.gz HIVUYNLGEGGCQR-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCCCS2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360761517 457340949 /nfs/dbraw/zinc/34/09/49/457340949.db2.gz HTNOMAMXYROQBE-HNNXBMFYSA-N 0 0 331.397 3.098 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(CN2CCc3ccccc32)CC1 ZINC000347304363 457342260 /nfs/dbraw/zinc/34/22/60/457342260.db2.gz GMMUEJJXNFGBAD-UHFFFAOYSA-N 0 0 338.411 3.269 10 5 EGBERN O=C(NCCCCF)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000360814820 457367233 /nfs/dbraw/zinc/36/72/33/457367233.db2.gz ALHJUSKNNPACAS-UHFFFAOYSA-N 0 0 348.324 3.439 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000424910940 457378068 /nfs/dbraw/zinc/37/80/68/457378068.db2.gz VEUMOIOMMKAKSZ-RYUDHWBXSA-N 0 0 340.326 3.362 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1[C@@H](C)C1CC1 ZINC000342621270 457408970 /nfs/dbraw/zinc/40/89/70/457408970.db2.gz AMINGRQPYOWMQG-VIFPVBQESA-N 0 0 334.401 3.115 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000360897783 457418582 /nfs/dbraw/zinc/41/85/82/457418582.db2.gz OSZXQYWMZFEDEB-QWRGUYRKSA-N 0 0 345.321 3.196 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(F)c(F)c1 ZINC000360923463 457435999 /nfs/dbraw/zinc/43/59/99/457435999.db2.gz KHYUZFGWKXAOAP-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN Cc1c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026245 457445422 /nfs/dbraw/zinc/44/54/22/457445422.db2.gz JBFOQYBSGUKTMW-SUNYJGFJSA-N 0 0 334.416 3.062 10 5 EGBERN Cc1c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cnc2ccccc12 ZINC000357329764 457449726 /nfs/dbraw/zinc/44/97/26/457449726.db2.gz FGTIPWPDSUFCNT-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CNc1c(C(=O)Nc2cccc3c2OCCC3)cccc1[N+](=O)[O-] ZINC000360954356 457462656 /nfs/dbraw/zinc/46/26/56/457462656.db2.gz MCOFTDSRDRWTTI-UHFFFAOYSA-N 0 0 327.340 3.214 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000425257004 457472616 /nfs/dbraw/zinc/47/26/16/457472616.db2.gz SPAUKXKROLGFGG-GFCCVEGCSA-N 0 0 342.355 3.052 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CO)c1ccsc1 ZINC000352575262 457477963 /nfs/dbraw/zinc/47/79/63/457477963.db2.gz IUCFQAPDZOLNIS-LBPRGKRZSA-N 0 0 335.385 3.128 10 5 EGBERN CCOc1cccnc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000357390387 457490074 /nfs/dbraw/zinc/49/00/74/457490074.db2.gz PHFSECAUICLJOQ-UHFFFAOYSA-N 0 0 340.339 3.338 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)n1 ZINC000342744660 457494105 /nfs/dbraw/zinc/49/41/05/457494105.db2.gz REZXFHBAFRGSRX-ZFWWWQNUSA-N 0 0 342.399 3.425 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374195894 457517504 /nfs/dbraw/zinc/51/75/04/457517504.db2.gz YMNCNUUOVINRQX-HNNXBMFYSA-N 0 0 348.790 3.349 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1CCC[C@H](F)C1 ZINC000425410569 457540949 /nfs/dbraw/zinc/54/09/49/457540949.db2.gz CKPYIYZRQPJTLS-QWRGUYRKSA-N 0 0 338.335 3.223 10 5 EGBERN C[C@H]1C[C@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357473422 457550315 /nfs/dbraw/zinc/55/03/15/457550315.db2.gz QOCRRRRVXTVTBI-WCQYABFASA-N 0 0 342.355 3.263 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1nc[nH]n1 ZINC000408522733 457579826 /nfs/dbraw/zinc/57/98/26/457579826.db2.gz CRKCYBCOWNEMHM-SNVBAGLBSA-N 0 0 327.266 3.073 10 5 EGBERN CNc1c(C(=O)Nc2cc(OC)c(OC)cc2C)cccc1[N+](=O)[O-] ZINC000361124013 457596840 /nfs/dbraw/zinc/59/68/40/457596840.db2.gz QICGWBAAQBSYNC-UHFFFAOYSA-N 0 0 345.355 3.214 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000357589546 457609667 /nfs/dbraw/zinc/60/96/67/457609667.db2.gz CNPCEWCOQFPDPO-CRAIPNDOSA-N 0 0 327.384 3.185 10 5 EGBERN COc1cc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000357634425 457634466 /nfs/dbraw/zinc/63/44/66/457634466.db2.gz YIXWPDNWNGIQEB-FZKQIMNGSA-N 0 0 346.358 3.321 10 5 EGBERN C[C@@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374564360 457661804 /nfs/dbraw/zinc/66/18/04/457661804.db2.gz UOLOMVWGUYZNCP-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000357778836 457686490 /nfs/dbraw/zinc/68/64/90/457686490.db2.gz NYVDEILRULVWLO-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374703606 457691426 /nfs/dbraw/zinc/69/14/26/457691426.db2.gz VWVPCEZJJXNPGJ-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC2(CC2)c2ccccc21 ZINC000374776072 457704200 /nfs/dbraw/zinc/70/42/00/457704200.db2.gz LALZCWFMEJCZGM-UHFFFAOYSA-N 0 0 327.315 3.008 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC2(CC2)CC1 ZINC000370880178 457733306 /nfs/dbraw/zinc/73/33/06/457733306.db2.gz CVLOSZGYYCDGMF-UHFFFAOYSA-N 0 0 339.189 3.374 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000374968575 457742654 /nfs/dbraw/zinc/74/26/54/457742654.db2.gz UMFSEJLNMHAEQF-UHFFFAOYSA-N 0 0 342.351 3.273 10 5 EGBERN CC(C)N(Cc1ccccc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361486994 457748686 /nfs/dbraw/zinc/74/86/86/457748686.db2.gz FYFJZYOWOUJUKS-UHFFFAOYSA-N 0 0 341.411 3.468 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]ccc1C1CC1 ZINC000457684884 457790373 /nfs/dbraw/zinc/79/03/73/457790373.db2.gz GCQCULOBMPDOLT-UHFFFAOYSA-N 0 0 333.775 3.426 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000375149474 457810418 /nfs/dbraw/zinc/81/04/18/457810418.db2.gz JYCDZQNPQRCBDR-LLVKDONJSA-N 0 0 342.399 3.359 10 5 EGBERN Cc1csc(NC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000371189992 457819974 /nfs/dbraw/zinc/81/99/74/457819974.db2.gz XXLZTCWIUSYBMY-UHFFFAOYSA-N 0 0 332.429 3.436 10 5 EGBERN Cc1cccc(C)c1OCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411474655 457897189 /nfs/dbraw/zinc/89/71/89/457897189.db2.gz CNTSWNJPDGLVNO-UHFFFAOYSA-N 0 0 327.384 3.044 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433934336 457914898 /nfs/dbraw/zinc/91/48/98/457914898.db2.gz YMGPNRMNFUJFID-JTQLQIEISA-N 0 0 332.360 3.401 10 5 EGBERN COCc1cc(O)ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000458083973 457927189 /nfs/dbraw/zinc/92/71/89/457927189.db2.gz WSTGOAJAYMCXBB-UHFFFAOYSA-N 0 0 344.367 3.363 10 5 EGBERN COC1CCC(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000427052878 457938162 /nfs/dbraw/zinc/93/81/62/457938162.db2.gz HTLWGNFUIROHON-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN CC(=O)c1ccsc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000427437204 457986812 /nfs/dbraw/zinc/98/68/12/457986812.db2.gz XBMZJMQQZOMFAV-CQSZACIVSA-N 0 0 345.380 3.076 10 5 EGBERN CN(Cc1ccncc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444851287 457987996 /nfs/dbraw/zinc/98/79/96/457987996.db2.gz RTHMUXUZHSFEEQ-UHFFFAOYSA-N 0 0 343.386 3.349 10 5 EGBERN O=C(NCc1ccc(F)cn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444981614 458002426 /nfs/dbraw/zinc/00/24/26/458002426.db2.gz GELDJIRINALUPZ-UHFFFAOYSA-N 0 0 347.349 3.145 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000445067195 458012018 /nfs/dbraw/zinc/01/20/18/458012018.db2.gz SETUHHCDGFTTNI-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000358481601 458028116 /nfs/dbraw/zinc/02/81/16/458028116.db2.gz UDPDDSVGUOWKAA-UHFFFAOYSA-N 0 0 330.344 3.159 10 5 EGBERN O=C1C[C@H](c2cccc(Nc3ccc([N+](=O)[O-])c4cnccc34)c2)CN1 ZINC000434952520 458070833 /nfs/dbraw/zinc/07/08/33/458070833.db2.gz YFIYEXFBUOCFKZ-ZDUSSCGKSA-N 0 0 348.362 3.490 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](OCC2CC2)C1 ZINC000428117488 458083105 /nfs/dbraw/zinc/08/31/05/458083105.db2.gz WHDXMBKOAIXZAJ-AWEZNQCLSA-N 0 0 343.383 3.107 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@@H](C)O1 ZINC000446074917 458140814 /nfs/dbraw/zinc/14/08/14/458140814.db2.gz ZUWSDRNCDIBLTF-JHJVBQTASA-N 0 0 331.372 3.248 10 5 EGBERN Cc1cc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000435583945 458166610 /nfs/dbraw/zinc/16/66/10/458166610.db2.gz LZMJXOKJZFLKHS-ZBFHGGJFSA-N 0 0 331.416 3.496 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435641055 458177852 /nfs/dbraw/zinc/17/78/52/458177852.db2.gz GKURKLZJLFZQJZ-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN Cn1cccc1[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362459589 458193774 /nfs/dbraw/zinc/19/37/74/458193774.db2.gz XHUCMNTVQXGSPU-MRXNPFEDSA-N 0 0 349.337 3.118 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@@H](C)O1 ZINC000446614437 458204873 /nfs/dbraw/zinc/20/48/73/458204873.db2.gz VYNDQAZTXAQTCW-GRYCIOLGSA-N 0 0 338.379 3.036 10 5 EGBERN Cc1cc(N2CC=C(c3ccnn3C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000376205499 458233387 /nfs/dbraw/zinc/23/33/87/458233387.db2.gz BBEUDHXYLRKZGE-UHFFFAOYSA-N 0 0 349.394 3.479 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3F)CC2)n1 ZINC000376234867 458243683 /nfs/dbraw/zinc/24/36/83/458243683.db2.gz KZZFTLZUERNQSC-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCOCC3)cc2)c1 ZINC000446913768 458245104 /nfs/dbraw/zinc/24/51/04/458245104.db2.gz IAXWAXIGQJRNFD-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN Cc1ncc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)s1 ZINC000436145036 458259132 /nfs/dbraw/zinc/25/91/32/458259132.db2.gz FTQNEXGVOPYBLK-UHFFFAOYSA-N 0 0 349.415 3.376 10 5 EGBERN COC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000430212747 458421540 /nfs/dbraw/zinc/42/15/40/458421540.db2.gz PQNBYQRNCAUXSI-INIZCTEOSA-N 0 0 334.347 3.220 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000430210886 458422425 /nfs/dbraw/zinc/42/24/25/458422425.db2.gz VYRZXJWBRLXQTF-UHFFFAOYSA-N 0 0 327.384 3.282 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000373276379 458449574 /nfs/dbraw/zinc/44/95/74/458449574.db2.gz YCDFOSKDNUZFPF-AWEZNQCLSA-N 0 0 342.399 3.209 10 5 EGBERN CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460222463 458506780 /nfs/dbraw/zinc/50/67/80/458506780.db2.gz OMUANOQQGKLGBB-GXTWGEPZSA-N 0 0 329.404 3.498 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC[C@@H](C)C1 ZINC000460216085 458506805 /nfs/dbraw/zinc/50/68/05/458506805.db2.gz MGRPFVVEGOXVQJ-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN CC(C)(C)Oc1cc(N2CCc3cc[nH]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000493662291 458528870 /nfs/dbraw/zinc/52/88/70/458528870.db2.gz URQXFUSUFNKCHF-UHFFFAOYSA-N 0 0 343.383 3.435 10 5 EGBERN COc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000438107329 458534327 /nfs/dbraw/zinc/53/43/27/458534327.db2.gz VFUNJPUCKGEMAY-JTQLQIEISA-N 0 0 348.380 3.428 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000431141021 458535212 /nfs/dbraw/zinc/53/52/12/458535212.db2.gz WXDKUNJYAXNCNH-VBNZEHGJSA-N 0 0 343.427 3.359 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]3C3CC3)cc2[N+](=O)[O-])CC1 ZINC000431172598 458539698 /nfs/dbraw/zinc/53/96/98/458539698.db2.gz XOMUTZQWIBCFCQ-JKSUJKDBSA-N 0 0 343.427 3.359 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1cncn1Cc1ccccc1 ZINC000438304841 458560121 /nfs/dbraw/zinc/56/01/21/458560121.db2.gz VZRIQHHMPJYOEV-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCn4c(cc5ccccc54)C3)nc2c1 ZINC000462084771 458593469 /nfs/dbraw/zinc/59/34/69/458593469.db2.gz NUSNBLWZBSVFHM-UHFFFAOYSA-N 0 0 333.351 3.446 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000493884290 458595475 /nfs/dbraw/zinc/59/54/75/458595475.db2.gz XNNSLMQSNUFFIZ-ZWNOBZJWSA-N 0 0 326.418 3.021 10 5 EGBERN Cn1ccnc1[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000424301844 458609526 /nfs/dbraw/zinc/60/95/26/458609526.db2.gz WFNJGMSUETWIHH-RYQLBKOJSA-N 0 0 340.427 3.444 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000470172684 458621177 /nfs/dbraw/zinc/62/11/77/458621177.db2.gz AEPIEGHIXQVSDU-IPDPYYILSA-N 0 0 346.427 3.266 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]cn3)CC2)c1 ZINC000378081274 458624840 /nfs/dbraw/zinc/62/48/40/458624840.db2.gz XRCHGHZFJDFXTJ-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000438882872 458626752 /nfs/dbraw/zinc/62/67/52/458626752.db2.gz AYULSVKNIXHRPH-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)c1C ZINC000432300777 458711011 /nfs/dbraw/zinc/71/10/11/458711011.db2.gz KCFILAZGORMIMP-GFCCVEGCSA-N 0 0 338.429 3.165 10 5 EGBERN O=C([C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000432323259 458715106 /nfs/dbraw/zinc/71/51/06/458715106.db2.gz PIDPFDOYTBFKLT-LBPRGKRZSA-N 0 0 337.807 3.087 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456650778 458742055 /nfs/dbraw/zinc/74/20/55/458742055.db2.gz ZYLIISGYQORHSZ-KRWDZBQOSA-N 0 0 342.351 3.320 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@H]1C ZINC000432547049 458753402 /nfs/dbraw/zinc/75/34/02/458753402.db2.gz QRNPIRUETKHNPT-RISCZKNCSA-N 0 0 338.429 3.250 10 5 EGBERN CCc1nc(C)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000432624072 458763894 /nfs/dbraw/zinc/76/38/94/458763894.db2.gz SWVFAXGADJMEQK-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000464867404 458787572 /nfs/dbraw/zinc/78/75/72/458787572.db2.gz CMNFKYBQNHPXBO-OAHLLOKOSA-N 0 0 333.363 3.401 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CO)CC3(CCC3)C2)c2ccncc21 ZINC000432833968 458796138 /nfs/dbraw/zinc/79/61/38/458796138.db2.gz ZQLQRTQLFGKZPS-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc2ncsc2c1 ZINC000547946080 458813670 /nfs/dbraw/zinc/81/36/70/458813670.db2.gz LDKBUHRVMUETFQ-SECBINFHSA-N 0 0 330.369 3.034 10 5 EGBERN COC[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000457096061 458865709 /nfs/dbraw/zinc/86/57/09/458865709.db2.gz VUMSSNCNKFMPJN-CQSZACIVSA-N 0 0 334.416 3.148 10 5 EGBERN COC[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000457096058 458865741 /nfs/dbraw/zinc/86/57/41/458865741.db2.gz VUMSSNCNKFMPJN-AWEZNQCLSA-N 0 0 334.416 3.148 10 5 EGBERN CCC(C)(C)OCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000457351233 458929114 /nfs/dbraw/zinc/92/91/14/458929114.db2.gz BJRVKPGYMGIIBW-UHFFFAOYSA-N 0 0 328.796 3.492 10 5 EGBERN COc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000475927304 458973153 /nfs/dbraw/zinc/97/31/53/458973153.db2.gz QDIVKRPOBNENRP-MEDUHNTESA-N 0 0 326.352 3.267 10 5 EGBERN C[C@H]1CC[C@H](CCC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000577096107 458979101 /nfs/dbraw/zinc/97/91/01/458979101.db2.gz IZDADAXCWSBGDY-SWLSCSKDSA-N 0 0 345.399 3.083 10 5 EGBERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878551 458992899 /nfs/dbraw/zinc/99/28/99/458992899.db2.gz MRNYVIYDVDAOJV-JTQLQIEISA-N 0 0 342.380 3.433 10 5 EGBERN CC(C)n1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2n1 ZINC000531882765 458993706 /nfs/dbraw/zinc/99/37/06/458993706.db2.gz LHDMIPXLTAZHMZ-UHFFFAOYSA-N 0 0 325.328 3.173 10 5 EGBERN COc1cc(CCO)cc(OCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000594490862 459059012 /nfs/dbraw/zinc/05/90/12/459059012.db2.gz SXGXKVMTKZNXIH-UHFFFAOYSA-N 0 0 337.759 3.371 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)cc([N+](=O)[O-])c1C ZINC000477816558 459061163 /nfs/dbraw/zinc/06/11/63/459061163.db2.gz DRUIQAZEJGSSBX-MRXNPFEDSA-N 0 0 340.379 3.199 10 5 EGBERN O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccc([N+](=O)[O-])cn1 ZINC000532392363 459078849 /nfs/dbraw/zinc/07/88/49/459078849.db2.gz KNWMPCRZIDIUQH-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000577708990 459079315 /nfs/dbraw/zinc/07/93/15/459079315.db2.gz VRXHTTJEWJUSBV-SNVBAGLBSA-N 0 0 331.294 3.118 10 5 EGBERN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532387788 459079568 /nfs/dbraw/zinc/07/95/68/459079568.db2.gz OGUZVDIYQLUMSO-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1N1CCOCC1 ZINC000594586684 459099299 /nfs/dbraw/zinc/09/92/99/459099299.db2.gz ZHUBZTRXTJWCJO-JHJVBQTASA-N 0 0 335.379 3.171 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590401509 459125010 /nfs/dbraw/zinc/12/50/10/459125010.db2.gz LVISULYGZGQCAA-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000590441403 459130939 /nfs/dbraw/zinc/13/09/39/459130939.db2.gz KBSYFJAGAFTGAR-CYBMUJFWSA-N 0 0 340.339 3.058 10 5 EGBERN Cc1nc(N2CCCC[C@@H]2c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000521394248 459145822 /nfs/dbraw/zinc/14/58/22/459145822.db2.gz SWPZQINGWOKJEH-CYBMUJFWSA-N 0 0 330.392 3.271 10 5 EGBERN Cc1nc(N2CCCC[C@H]2c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000521394249 459146628 /nfs/dbraw/zinc/14/66/28/459146628.db2.gz SWPZQINGWOKJEH-ZDUSSCGKSA-N 0 0 330.392 3.271 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000590564995 459150224 /nfs/dbraw/zinc/15/02/24/459150224.db2.gz IGIOBDJHJVGXAF-GFCCVEGCSA-N 0 0 329.331 3.149 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000590568434 459151701 /nfs/dbraw/zinc/15/17/01/459151701.db2.gz GNFAWNUHHYIUAQ-MRVPVSSYSA-N 0 0 337.282 3.228 10 5 EGBERN O=[N+]([O-])c1cc(F)c(COc2ccccc2-c2nc[nH]n2)c(F)c1 ZINC000590587164 459154506 /nfs/dbraw/zinc/15/45/06/459154506.db2.gz JLRRXBNKDTYIFP-UHFFFAOYSA-N 0 0 332.266 3.237 10 5 EGBERN CSc1cccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000594908350 459172662 /nfs/dbraw/zinc/17/26/62/459172662.db2.gz IQJUTWLUIDPAFO-UHFFFAOYSA-N 0 0 330.409 3.406 10 5 EGBERN CC(C)CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000558642054 459186847 /nfs/dbraw/zinc/18/68/47/459186847.db2.gz MZWSHLVGFAVSEF-UHFFFAOYSA-N 0 0 344.415 3.449 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590707229 459190285 /nfs/dbraw/zinc/19/02/85/459190285.db2.gz BCMAEIRYZXAWHL-IGCXYCKISA-N 0 0 341.411 3.440 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(CO)c(F)c1 ZINC000595020710 459218669 /nfs/dbraw/zinc/21/86/69/459218669.db2.gz ZJYGNAHWUJCCEA-NSHDSACASA-N 0 0 334.347 3.086 10 5 EGBERN COC1([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])CCOCC1 ZINC000578635309 459234738 /nfs/dbraw/zinc/23/47/38/459234738.db2.gz UFXSTSPHILNRET-GFCCVEGCSA-N 0 0 331.372 3.139 10 5 EGBERN CCC(CC)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000533555543 459253446 /nfs/dbraw/zinc/25/34/46/459253446.db2.gz JMSLWUPEGWYONL-UHFFFAOYSA-N 0 0 326.418 3.078 10 5 EGBERN O=C(NC1CCC(OC(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000590884044 459258268 /nfs/dbraw/zinc/25/82/68/459258268.db2.gz NPIAZFCOZPYSMZ-UHFFFAOYSA-N 0 0 332.278 3.014 10 5 EGBERN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c[nH]c1=O ZINC000559859623 459282008 /nfs/dbraw/zinc/28/20/08/459282008.db2.gz WVVRQGZHKKOUIP-UHFFFAOYSA-N 0 0 345.358 3.343 10 5 EGBERN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595434924 459301169 /nfs/dbraw/zinc/30/11/69/459301169.db2.gz ZKVJPIRBMWUGLW-LLVKDONJSA-N 0 0 349.822 3.417 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(CC(F)(F)F)C1 ZINC000591068359 459304350 /nfs/dbraw/zinc/30/43/50/459304350.db2.gz NLEPJNGUUAFUBM-QWHCGFSZSA-N 0 0 328.290 3.109 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595479236 459317542 /nfs/dbraw/zinc/31/75/42/459317542.db2.gz DSGWGVMHRKLRCT-IUODEOHRSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000523752186 459330024 /nfs/dbraw/zinc/33/00/24/459330024.db2.gz LPERMJDESOHXTI-RYUDHWBXSA-N 0 0 330.388 3.417 10 5 EGBERN C[C@]1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000595516784 459331713 /nfs/dbraw/zinc/33/17/13/459331713.db2.gz BCLQOZVMNYQMFL-OAHLLOKOSA-N 0 0 341.358 3.262 10 5 EGBERN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582244312 459332391 /nfs/dbraw/zinc/33/23/91/459332391.db2.gz UTONKBRLAWGYKZ-OKILXGFUSA-N 0 0 349.431 3.463 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000582245102 459333709 /nfs/dbraw/zinc/33/37/09/459333709.db2.gz YQNPNPCNRUVVDV-UHFFFAOYSA-N 0 0 347.371 3.136 10 5 EGBERN C[C@@H]1C[C@H]1c1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568782356 459345579 /nfs/dbraw/zinc/34/55/79/459345579.db2.gz OJSWMZLBAMOZNA-BXKDBHETSA-N 0 0 325.328 3.169 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679246 459393458 /nfs/dbraw/zinc/39/34/58/459393458.db2.gz CLUZWIHXHIOFED-CYBMUJFWSA-N 0 0 343.383 3.393 10 5 EGBERN C[C@H]1COC2(CCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679247 459393777 /nfs/dbraw/zinc/39/37/77/459393777.db2.gz CLUZWIHXHIOFED-ZDUSSCGKSA-N 0 0 343.383 3.393 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)o2)c1 ZINC000591720308 459425979 /nfs/dbraw/zinc/42/59/79/459425979.db2.gz DSGQFJUDEMMHIC-UHFFFAOYSA-N 0 0 326.761 3.493 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CNc1c(OC)cccc1[N+](=O)[O-] ZINC000569355190 459438243 /nfs/dbraw/zinc/43/82/43/459438243.db2.gz ASHUGOYFLISPRC-UHFFFAOYSA-N 0 0 343.383 3.064 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2Cl)n1 ZINC000582881672 459442726 /nfs/dbraw/zinc/44/27/26/459442726.db2.gz JFODIZFJGXAQHZ-UHFFFAOYSA-N 0 0 343.170 3.048 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@H](C3CC3)C2)o1 ZINC000485697338 459464835 /nfs/dbraw/zinc/46/48/35/459464835.db2.gz PSPPTEYIAOPKTD-SFHVURJKSA-N 0 0 328.368 3.466 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485685767 459464995 /nfs/dbraw/zinc/46/49/95/459464995.db2.gz YXVLYIMEUBHCMX-TZMCWYRMSA-N 0 0 348.305 3.482 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@H](c3ccco3)C1)CCCC2 ZINC000591926761 459488570 /nfs/dbraw/zinc/48/85/70/459488570.db2.gz UMITYUPLOOZVIG-INIZCTEOSA-N 0 0 329.356 3.040 10 5 EGBERN Cc1nn(C)c(Nc2cnn(-c3cccc(C)c3)c2C)c1[N+](=O)[O-] ZINC000591969077 459499762 /nfs/dbraw/zinc/49/97/62/459499762.db2.gz OFFNHXXDKLULMV-UHFFFAOYSA-N 0 0 326.360 3.183 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592126516 459529241 /nfs/dbraw/zinc/52/92/41/459529241.db2.gz WFTCTTQQWFXSDV-YPMHNXCESA-N 0 0 349.387 3.227 10 5 EGBERN COC(=O)c1c(Cl)c(SCC(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000596145977 459536052 /nfs/dbraw/zinc/53/60/52/459536052.db2.gz JHIGFKQOBBINMB-UHFFFAOYSA-N 0 0 347.776 3.079 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H](C)CO2)c1 ZINC000596153531 459539613 /nfs/dbraw/zinc/53/96/13/459539613.db2.gz HCUHSLFMVOJZOG-XJKSGUPXSA-N 0 0 342.399 3.155 10 5 EGBERN O=[N+]([O-])c1cc(NCc2noc(C3CC3)n2)ccc1C(F)(F)F ZINC000596178458 459549344 /nfs/dbraw/zinc/54/93/44/459549344.db2.gz IKFNKXRQPJFOPI-UHFFFAOYSA-N 0 0 328.250 3.486 10 5 EGBERN Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596178118 459549677 /nfs/dbraw/zinc/54/96/77/459549677.db2.gz FVWFWDFFCPRXRS-NSHDSACASA-N 0 0 333.417 3.275 10 5 EGBERN Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](C)C2 ZINC000596185063 459552771 /nfs/dbraw/zinc/55/27/71/459552771.db2.gz AZGFQIDCPIZRKS-DIFFPNOSSA-N 0 0 325.368 3.348 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCCCC2)cc1C ZINC000497740034 459554587 /nfs/dbraw/zinc/55/45/87/459554587.db2.gz KHWJYHSFCBXATR-UHFFFAOYSA-N 0 0 326.418 3.070 10 5 EGBERN COc1cc(N2CCc3ncsc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596202183 459558227 /nfs/dbraw/zinc/55/82/27/459558227.db2.gz CVPLXGSOEGCHSC-UHFFFAOYSA-N 0 0 325.777 3.276 10 5 EGBERN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592252224 459560314 /nfs/dbraw/zinc/56/03/14/459560314.db2.gz ZDDTZWUZAKIFFT-HNNXBMFYSA-N 0 0 333.388 3.070 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CC(F)F ZINC000592257736 459562206 /nfs/dbraw/zinc/56/22/06/459562206.db2.gz JUZHQAUMKUVIPZ-SECBINFHSA-N 0 0 331.319 3.406 10 5 EGBERN CCC[C@@]1(CO)CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596238291 459571267 /nfs/dbraw/zinc/57/12/67/459571267.db2.gz GZHMOSHGNGVBBN-OAHLLOKOSA-N 0 0 328.796 3.246 10 5 EGBERN CC[C@](C)(CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)OC ZINC000596255676 459575404 /nfs/dbraw/zinc/57/54/04/459575404.db2.gz XGUMMKVGXLQVOL-CQSZACIVSA-N 0 0 330.768 3.262 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccncc3)C2)c1 ZINC000596254162 459576016 /nfs/dbraw/zinc/57/60/16/459576016.db2.gz MHUHZBDESZIGOO-OAHLLOKOSA-N 0 0 341.367 3.160 10 5 EGBERN COc1ccc(CN2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000542647200 459577857 /nfs/dbraw/zinc/57/78/57/459577857.db2.gz AOQBEHNHORDYPL-SFHVURJKSA-N 0 0 334.416 3.385 10 5 EGBERN COCC[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596270687 459579869 /nfs/dbraw/zinc/57/98/69/459579869.db2.gz QDVGZIVPDKYBOA-SECBINFHSA-N 0 0 330.768 3.119 10 5 EGBERN CC[C@@H](OCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596289650 459585697 /nfs/dbraw/zinc/58/56/97/459585697.db2.gz DSGHSVCSCZLFGU-QGZVFWFLSA-N 0 0 343.383 3.274 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCS[C@H]2C)ccc1[N+](=O)[O-] ZINC000596293160 459586546 /nfs/dbraw/zinc/58/65/46/459586546.db2.gz TUCVRLHNUVQCRJ-JGVFFNPUSA-N 0 0 330.793 3.341 10 5 EGBERN COC(=O)c1c(Cl)c(NCCC2CC(OC)C2)ccc1[N+](=O)[O-] ZINC000596307605 459590717 /nfs/dbraw/zinc/59/07/17/459590717.db2.gz CAQQCPQKRTZBTI-UHFFFAOYSA-N 0 0 342.779 3.262 10 5 EGBERN CO[C@H](CSCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000596333205 459599489 /nfs/dbraw/zinc/59/94/89/459599489.db2.gz FXUNOGPSHXETMF-CZUORRHYSA-N 0 0 341.429 3.148 10 5 EGBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c2ncnn21 ZINC000596347497 459603361 /nfs/dbraw/zinc/60/33/61/459603361.db2.gz XDWXETVXAXBRAV-PWSUYJOCSA-N 0 0 331.376 3.482 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596365321 459608615 /nfs/dbraw/zinc/60/86/15/459608615.db2.gz BJDQLDXVHGMYIC-XNJGSVPQSA-N 0 0 345.399 3.121 10 5 EGBERN COCCC1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000596364826 459608841 /nfs/dbraw/zinc/60/88/41/459608841.db2.gz KLHYWOBHWCCVPP-UHFFFAOYSA-N 0 0 331.347 3.269 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)c1 ZINC000583881926 459612193 /nfs/dbraw/zinc/61/21/93/459612193.db2.gz OYBOHCFPBURPDX-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN CS(=O)(=O)c1cc(SCC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596391062 459619160 /nfs/dbraw/zinc/61/91/60/459619160.db2.gz MKUPRPRVARBARJ-NSHDSACASA-N 0 0 345.442 3.050 10 5 EGBERN CO[C@H](CSCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000596400482 459623900 /nfs/dbraw/zinc/62/39/00/459623900.db2.gz GJVSXSNLSLMUQK-OAHLLOKOSA-N 0 0 338.429 3.132 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596441099 459636582 /nfs/dbraw/zinc/63/65/82/459636582.db2.gz NFVLHADLMSDZRC-UHFFFAOYSA-N 0 0 342.342 3.449 10 5 EGBERN COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000596441807 459637731 /nfs/dbraw/zinc/63/77/31/459637731.db2.gz QYZJAVGKBGGBTP-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN COc1cc(N2C[C@]3(C)COC[C@]3(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596442269 459638193 /nfs/dbraw/zinc/63/81/93/459638193.db2.gz KHLWQLFDTBJVKL-GASCZTMLSA-N 0 0 326.780 3.120 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000596444379 459639235 /nfs/dbraw/zinc/63/92/35/459639235.db2.gz RWQJQWIHKGPMGC-VIFPVBQESA-N 0 0 339.277 3.140 10 5 EGBERN CC[C@@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000592603361 459642162 /nfs/dbraw/zinc/64/21/62/459642162.db2.gz UCVYKNXLPYOKBC-BLLLJJGKSA-N 0 0 342.399 3.255 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000596490211 459655177 /nfs/dbraw/zinc/65/51/77/459655177.db2.gz IANCMBCWGCYNPP-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN COC(=O)C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000596494631 459656338 /nfs/dbraw/zinc/65/63/38/459656338.db2.gz UAESFVDBNPMJSW-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN O=C1CCCC12CCN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000596509150 459661438 /nfs/dbraw/zinc/66/14/38/459661438.db2.gz QBSDXKORIXUOPI-UHFFFAOYSA-N 0 0 329.400 3.208 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1nsc2ccccc21 ZINC000596526018 459665497 /nfs/dbraw/zinc/66/54/97/459665497.db2.gz OPHHOZCOSPRCKS-UHFFFAOYSA-N 0 0 331.401 3.384 10 5 EGBERN Cc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CCC2)c1 ZINC000592686411 459666020 /nfs/dbraw/zinc/66/60/20/459666020.db2.gz NSIKAIIBIQAULX-UHFFFAOYSA-N 0 0 325.368 3.416 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1(c2ccccc2F)CCC1 ZINC000592689384 459666818 /nfs/dbraw/zinc/66/68/18/459666818.db2.gz IKURQTGJKKAEKB-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN C[C@@H](C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000592696970 459670172 /nfs/dbraw/zinc/67/01/72/459670172.db2.gz ITJLMCNRUKVJBV-WZRBSPASSA-N 0 0 338.379 3.300 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C2CCCCC2)C1 ZINC000543576906 459670589 /nfs/dbraw/zinc/67/05/89/459670589.db2.gz NDHOEOOQKPIFBS-SFHVURJKSA-N 0 0 334.416 3.385 10 5 EGBERN NC(=O)CC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000596543525 459670626 /nfs/dbraw/zinc/67/06/26/459670626.db2.gz LEXFBOKNJXYBHP-UHFFFAOYSA-N 0 0 327.331 3.111 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555993 459675272 /nfs/dbraw/zinc/67/52/72/459675272.db2.gz WDSDBWOINTWGFE-SFYZADRCSA-N 0 0 339.701 3.189 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@H]1C1CCC1 ZINC000592733722 459678654 /nfs/dbraw/zinc/67/86/54/459678654.db2.gz BGEAVFKPHQHEJU-ZDUSSCGKSA-N 0 0 332.356 3.118 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592734191 459678869 /nfs/dbraw/zinc/67/88/69/459678869.db2.gz HRPXGJDKJJSASJ-LPEHRKFASA-N 0 0 326.299 3.115 10 5 EGBERN CCOC(=O)c1cc(N[C@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596567737 459679577 /nfs/dbraw/zinc/67/95/77/459679577.db2.gz VMVXMUZREPKDSU-SJCJKPOMSA-N 0 0 344.367 3.306 10 5 EGBERN CCOc1cccc(N2C[C@H](C)O[C@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000596572156 459681594 /nfs/dbraw/zinc/68/15/94/459681594.db2.gz CIWJBSRVNGNXPL-BONVTDFDSA-N 0 0 330.331 3.242 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)CC(F)(F)F)n1 ZINC000596580106 459683960 /nfs/dbraw/zinc/68/39/60/459683960.db2.gz BGHYSHBELVKCDD-UHFFFAOYSA-N 0 0 335.282 3.167 10 5 EGBERN CO[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CCCCC1 ZINC000596596917 459691462 /nfs/dbraw/zinc/69/14/62/459691462.db2.gz XTSINBUKULZIPY-HNNXBMFYSA-N 0 0 332.360 3.231 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598473 459692059 /nfs/dbraw/zinc/69/20/59/459692059.db2.gz HKCUHTRPDIQWNR-CYBMUJFWSA-N 0 0 328.416 3.474 10 5 EGBERN Cc1nc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)[nH]c1C ZINC000596620047 459701984 /nfs/dbraw/zinc/70/19/84/459701984.db2.gz BGVVWGSPLUPHPO-UHFFFAOYSA-N 0 0 342.359 3.029 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592856658 459704584 /nfs/dbraw/zinc/70/45/84/459704584.db2.gz UZNBSRZSPCEORP-QAPCUYQASA-N 0 0 336.432 3.221 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592856316 459704760 /nfs/dbraw/zinc/70/47/60/459704760.db2.gz ZYRYUPGZGORSNS-MLGOLLRUSA-N 0 0 340.445 3.133 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000596638379 459709734 /nfs/dbraw/zinc/70/97/34/459709734.db2.gz UFXPYKUDJBPODA-CYBMUJFWSA-N 0 0 333.388 3.469 10 5 EGBERN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593022696 459743417 /nfs/dbraw/zinc/74/34/17/459743417.db2.gz IIUKTWSYJHNAHP-LBPRGKRZSA-N 0 0 335.385 3.079 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1csc([N+](=O)[O-])c1 ZINC000593047733 459754390 /nfs/dbraw/zinc/75/43/90/459754390.db2.gz BNVBDCXVQUYJEG-ZYHUDNBSSA-N 0 0 326.418 3.351 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593057042 459757955 /nfs/dbraw/zinc/75/79/55/459757955.db2.gz JLQNQUBBEIGNHF-ADLMAVQZSA-N 0 0 328.343 3.326 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000596824337 459771541 /nfs/dbraw/zinc/77/15/41/459771541.db2.gz VMRCADCRXLGDIU-CXAGYDPISA-N 0 0 347.415 3.226 10 5 EGBERN C[C@@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(F)F ZINC000596825696 459772171 /nfs/dbraw/zinc/77/21/71/459772171.db2.gz FYXBQXMZHKVWEI-HNNXBMFYSA-N 0 0 339.342 3.314 10 5 EGBERN Cc1ccccc1C1(NC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000593194000 459802764 /nfs/dbraw/zinc/80/27/64/459802764.db2.gz DQBOFCFMMXSKFF-UHFFFAOYSA-N 0 0 340.379 3.478 10 5 EGBERN COCCc1ccc(OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000593234879 459815488 /nfs/dbraw/zinc/81/54/88/459815488.db2.gz LCZROXPKPBORFV-UHFFFAOYSA-N 0 0 345.351 3.149 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593240945 459817422 /nfs/dbraw/zinc/81/74/22/459817422.db2.gz IUNFVKSWNHQTJC-UHFFFAOYSA-N 0 0 346.318 3.357 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000584876635 459817840 /nfs/dbraw/zinc/81/78/40/459817840.db2.gz KDXPPPXJKJPYOA-NSHDSACASA-N 0 0 331.294 3.079 10 5 EGBERN CC[C@@H](OCCNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000593248957 459820358 /nfs/dbraw/zinc/82/03/58/459820358.db2.gz CRUCTTFUDCKOMS-QGZVFWFLSA-N 0 0 343.383 3.196 10 5 EGBERN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccc(Cl)cc1 ZINC000566213658 459823277 /nfs/dbraw/zinc/82/32/77/459823277.db2.gz AFMGVFLWMZYFFD-UHFFFAOYSA-N 0 0 346.770 3.172 10 5 EGBERN CSc1cccnc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000593277339 459827373 /nfs/dbraw/zinc/82/73/73/459827373.db2.gz RSXQLAKVBKYINT-UHFFFAOYSA-N 0 0 346.412 3.418 10 5 EGBERN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593294252 459831874 /nfs/dbraw/zinc/83/18/74/459831874.db2.gz IUMJIYHHTPIDDM-JSGCOSHPSA-N 0 0 338.429 3.103 10 5 EGBERN CC(C)(C)OCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092026 459835618 /nfs/dbraw/zinc/83/56/18/459835618.db2.gz IMZCRKMSYXQFRR-UHFFFAOYSA-N 0 0 344.799 3.157 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000593306588 459836017 /nfs/dbraw/zinc/83/60/17/459836017.db2.gz FWNKFBOGDFFPRH-CQSZACIVSA-N 0 0 345.374 3.310 10 5 EGBERN CCCCN(CCOC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095201 459836077 /nfs/dbraw/zinc/83/60/77/459836077.db2.gz OHCBBXXGRBNHMF-UHFFFAOYSA-N 0 0 344.799 3.111 10 5 EGBERN C[C@@H](N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1(C)CC1 ZINC000597097250 459836182 /nfs/dbraw/zinc/83/61/82/459836182.db2.gz FPRMIYCQMLPZEU-MRVPVSSYSA-N 0 0 326.784 3.483 10 5 EGBERN CC[C@@H](CSC)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093965 459836198 /nfs/dbraw/zinc/83/61/98/459836198.db2.gz AEMJOPXZDKHMGD-VIFPVBQESA-N 0 0 346.840 3.436 10 5 EGBERN COc1cc(C(=O)N2CCc3ccccc3[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000593325047 459843274 /nfs/dbraw/zinc/84/32/74/459843274.db2.gz APTHPUWELDDSIC-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C12CCC2 ZINC000598296651 459852326 /nfs/dbraw/zinc/85/23/26/459852326.db2.gz NMTRBDWWPNITIS-ZIAGYGMSSA-N 0 0 347.415 3.033 10 5 EGBERN C[C@H](C(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593352175 459858870 /nfs/dbraw/zinc/85/88/70/459858870.db2.gz CXNGIBHBJCGADL-LKFCYVNXSA-N 0 0 328.290 3.095 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598324581 459865743 /nfs/dbraw/zinc/86/57/43/459865743.db2.gz UROWYYWCXBGNMR-UHFFFAOYSA-N 0 0 348.790 3.179 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000586777058 459870766 /nfs/dbraw/zinc/87/07/66/459870766.db2.gz DHUULBNUUPKOFL-QPUJVOFHSA-N 0 0 338.713 3.400 10 5 EGBERN CC(C)(C(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598337421 459870884 /nfs/dbraw/zinc/87/08/84/459870884.db2.gz QFRQRZWCHWHXOC-LBPRGKRZSA-N 0 0 326.343 3.280 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000602238335 459874954 /nfs/dbraw/zinc/87/49/54/459874954.db2.gz HELGDLNXKSDYCO-GUYCJALGSA-N 0 0 333.388 3.078 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598354037 459876847 /nfs/dbraw/zinc/87/68/47/459876847.db2.gz UPTQXYWQERUMMH-DLBZAZTESA-N 0 0 328.368 3.083 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598356252 459878369 /nfs/dbraw/zinc/87/83/69/459878369.db2.gz ZHXXYUPEFGQQCZ-GFCCVEGCSA-N 0 0 343.383 3.250 10 5 EGBERN CNc1ccc(C(=O)N2CCCc3ccc(OC)cc32)cc1[N+](=O)[O-] ZINC000598365356 459880131 /nfs/dbraw/zinc/88/01/31/459880131.db2.gz VQHWFJLPMVPAQO-UHFFFAOYSA-N 0 0 341.367 3.238 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000598381854 459884372 /nfs/dbraw/zinc/88/43/72/459884372.db2.gz QTLMPXAIDBNLCP-CYBMUJFWSA-N 0 0 328.315 3.361 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(c2ccon2)CC1 ZINC000598399658 459889784 /nfs/dbraw/zinc/88/97/84/459889784.db2.gz PLLGRIPIBUCHSA-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C2CCC2)C1 ZINC000598398955 459890181 /nfs/dbraw/zinc/89/01/81/459890181.db2.gz GUZJMRFMBWBBDR-GFCCVEGCSA-N 0 0 328.372 3.123 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(C)c1C(F)F ZINC000588007904 459901705 /nfs/dbraw/zinc/90/17/05/459901705.db2.gz LFUXSZKPLFADQE-UHFFFAOYSA-N 0 0 340.286 3.105 10 5 EGBERN COc1ccc(C2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)nc1 ZINC000593480837 459901775 /nfs/dbraw/zinc/90/17/75/459901775.db2.gz NIMTYCGTIFHAPI-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC000597278049 459902737 /nfs/dbraw/zinc/90/27/37/459902737.db2.gz ATERDRDHZSNPRQ-OAHLLOKOSA-N 0 0 341.415 3.407 10 5 EGBERN O=C(Cc1ccncc1Cl)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000597280395 459903616 /nfs/dbraw/zinc/90/36/16/459903616.db2.gz BYODJRIKUPFJLU-UHFFFAOYSA-N 0 0 347.802 3.325 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000598472074 459907159 /nfs/dbraw/zinc/90/71/59/459907159.db2.gz VTFSBHBAGMDAID-KRWDZBQOSA-N 0 0 325.368 3.414 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](Cc2ccccc2)C1 ZINC000593505992 459909744 /nfs/dbraw/zinc/90/97/44/459909744.db2.gz ZTAFMYNGEPMUGI-HNNXBMFYSA-N 0 0 346.818 3.006 10 5 EGBERN Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593520397 459914156 /nfs/dbraw/zinc/91/41/56/459914156.db2.gz OEXSRIZVIKUNJZ-CYBMUJFWSA-N 0 0 333.775 3.436 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH]n(C)cc1C ZINC000598537219 459933104 /nfs/dbraw/zinc/93/31/04/459933104.db2.gz CDEDGWXYOGLYEU-UHFFFAOYSA-N 0 0 348.428 3.203 10 5 EGBERN C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCCO1 ZINC000597411135 459944813 /nfs/dbraw/zinc/94/48/13/459944813.db2.gz ULRFWIZTIXKQFQ-SUMWQHHRSA-N 0 0 332.400 3.291 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598577379 459947690 /nfs/dbraw/zinc/94/76/90/459947690.db2.gz YOXDCPKVFOAXAX-INIZCTEOSA-N 0 0 338.367 3.061 10 5 EGBERN CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000598581333 459951172 /nfs/dbraw/zinc/95/11/72/459951172.db2.gz LQACHJPWXHSEAM-UHFFFAOYSA-N 0 0 336.285 3.371 10 5 EGBERN O=C(Cc1cc(C2CC2)no1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597481043 459969250 /nfs/dbraw/zinc/96/92/50/459969250.db2.gz SLFYCSUXWSLQGT-UHFFFAOYSA-N 0 0 349.774 3.015 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000598647408 459975671 /nfs/dbraw/zinc/97/56/71/459975671.db2.gz CIHKIRAWMXOXOS-UHFFFAOYSA-N 0 0 333.363 3.386 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000609567095 459984129 /nfs/dbraw/zinc/98/41/29/459984129.db2.gz WUMJZWKJERCOFV-UHFFFAOYSA-N 0 0 340.379 3.339 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000609578580 459986828 /nfs/dbraw/zinc/98/68/28/459986828.db2.gz DIZNLRCFSXXBCE-ZDUSSCGKSA-N 0 0 343.383 3.034 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000588840108 459989481 /nfs/dbraw/zinc/98/94/81/459989481.db2.gz GTQCFUQOERGTSI-CPUCHLNUSA-N 0 0 336.436 3.030 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677648 459990233 /nfs/dbraw/zinc/99/02/33/459990233.db2.gz QTQKBFHOBHOOTN-JSGCOSHPSA-N 0 0 336.342 3.053 10 5 EGBERN Cc1cccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)c1[N+](=O)[O-] ZINC000593817411 459994046 /nfs/dbraw/zinc/99/40/46/459994046.db2.gz OEHZLTCXWITDGE-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN COCCOc1cccc(CNc2c(OC)cccc2[N+](=O)[O-])c1 ZINC000575762604 460000052 /nfs/dbraw/zinc/00/00/52/460000052.db2.gz ZKDVOYDZUZOZFB-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593887601 460011453 /nfs/dbraw/zinc/01/14/53/460011453.db2.gz WWKASHADISZLQG-HNNXBMFYSA-N 0 0 339.342 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000597665841 460022374 /nfs/dbraw/zinc/02/23/74/460022374.db2.gz GRVCIAOYIFHWKQ-CYBMUJFWSA-N 0 0 344.367 3.110 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@H](O)Cc1ccccc1 ZINC000597666715 460022583 /nfs/dbraw/zinc/02/25/83/460022583.db2.gz LHUZOSGGCFLGNG-OAHLLOKOSA-N 0 0 328.368 3.144 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnn1C1CCOCC1 ZINC000597669943 460023773 /nfs/dbraw/zinc/02/37/73/460023773.db2.gz YBKPOLUUYSGDLO-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000597693757 460031265 /nfs/dbraw/zinc/03/12/65/460031265.db2.gz ZNYCLUIPCJSGSQ-AWEZNQCLSA-N 0 0 343.358 3.078 10 5 EGBERN Cc1c(NC(=O)C2(C(F)(F)F)CCOCC2)cccc1[N+](=O)[O-] ZINC000598803506 460041747 /nfs/dbraw/zinc/04/17/47/460041747.db2.gz PSPGQKGRPDSCGL-UHFFFAOYSA-N 0 0 332.278 3.201 10 5 EGBERN CCOC1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000598807448 460044426 /nfs/dbraw/zinc/04/44/26/460044426.db2.gz JLOMBZCBQGQEHB-UHFFFAOYSA-N 0 0 330.287 3.094 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000610006466 460050674 /nfs/dbraw/zinc/05/06/74/460050674.db2.gz BXWWQXYDRWMDIJ-LLVKDONJSA-N 0 0 340.426 3.047 10 5 EGBERN CC(C)(C)n1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000594037749 460067537 /nfs/dbraw/zinc/06/75/37/460067537.db2.gz DEJOGZHDQJDWQC-UHFFFAOYSA-N 0 0 330.388 3.211 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000610128805 460068881 /nfs/dbraw/zinc/06/88/81/460068881.db2.gz NEXSNLSXTAIXNC-XJKSGUPXSA-N 0 0 334.416 3.173 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000618585257 460075215 /nfs/dbraw/zinc/07/52/15/460075215.db2.gz VMTSDEIFYAAGQS-OLZOCXBDSA-N 0 0 330.388 3.114 10 5 EGBERN CCNc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598881359 460081719 /nfs/dbraw/zinc/08/17/19/460081719.db2.gz BJCPFVJYNFECDP-CYBMUJFWSA-N 0 0 347.415 3.200 10 5 EGBERN CC(C)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(F)F ZINC000594061951 460082238 /nfs/dbraw/zinc/08/22/38/460082238.db2.gz AAENLYXNUSLOHI-UHFFFAOYSA-N 0 0 325.315 3.100 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](C(F)F)C1CCCCC1 ZINC000598895024 460087694 /nfs/dbraw/zinc/08/76/94/460087694.db2.gz BWXIPLPWGJZVGT-HNNXBMFYSA-N 0 0 326.343 3.468 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594073990 460088564 /nfs/dbraw/zinc/08/85/64/460088564.db2.gz VQEBUPULUVKZOW-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN COc1cc(C(=O)Nc2cncc3c2CCCC3)cc([N+](=O)[O-])c1C ZINC000597871082 460089162 /nfs/dbraw/zinc/08/91/62/460089162.db2.gz VPEUHJPISYXDDB-UHFFFAOYSA-N 0 0 341.367 3.438 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCc3sccc3C2)c1 ZINC000589498468 460095339 /nfs/dbraw/zinc/09/53/39/460095339.db2.gz YKQQPQPPIAKQQL-UHFFFAOYSA-N 0 0 346.408 3.391 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3C[C@@H]2C)c1 ZINC000589501964 460096169 /nfs/dbraw/zinc/09/61/69/460096169.db2.gz MCONTSUBBULCQJ-ZDUSSCGKSA-N 0 0 340.379 3.328 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccsc3C2)c1 ZINC000589502465 460097452 /nfs/dbraw/zinc/09/74/52/460097452.db2.gz VBHDIEOEIUEYQK-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000589514086 460098530 /nfs/dbraw/zinc/09/85/30/460098530.db2.gz BKBJASCFUKXTEI-JOYOIKCWSA-N 0 0 346.305 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C3CCCC2CCC3)c(Cl)c1 ZINC000610266503 460099478 /nfs/dbraw/zinc/09/94/78/460099478.db2.gz GIICVVCQPRGHAJ-UHFFFAOYSA-N 0 0 344.820 3.344 10 5 EGBERN C[C@@H](O)CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000594105977 460102539 /nfs/dbraw/zinc/10/25/39/460102539.db2.gz LKOIBDJUSSFIQU-LLVKDONJSA-N 0 0 335.404 3.269 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cnc(OC)c(OC)c1 ZINC000598991298 460120409 /nfs/dbraw/zinc/12/04/09/460120409.db2.gz JZJUVJKTJYJZJQ-UHFFFAOYSA-N 0 0 333.344 3.018 10 5 EGBERN CCC(O)(CC)C(C)(C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597945374 460121791 /nfs/dbraw/zinc/12/17/91/460121791.db2.gz QZVFZQIJUCSGRZ-UHFFFAOYSA-N 0 0 347.415 3.383 10 5 EGBERN COc1ccc(CNC(=O)N2C3CCCC2CCC3)cc1[N+](=O)[O-] ZINC000610348184 460128204 /nfs/dbraw/zinc/12/82/04/460128204.db2.gz CDLLAHMQGGQQPQ-UHFFFAOYSA-N 0 0 333.388 3.220 10 5 EGBERN Cc1ccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000594154268 460129010 /nfs/dbraw/zinc/12/90/10/460129010.db2.gz PDKDDTJNNPYYPY-AWEZNQCLSA-N 0 0 342.273 3.459 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C2CC2)C1 ZINC000589724090 460131693 /nfs/dbraw/zinc/13/16/93/460131693.db2.gz GKTKNKQHNOMLPV-UHFFFAOYSA-N 0 0 339.189 3.148 10 5 EGBERN C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000599057440 460144232 /nfs/dbraw/zinc/14/42/32/460144232.db2.gz PNULVQHEHUHXHR-SUMWQHHRSA-N 0 0 337.383 3.427 10 5 EGBERN CCc1nn(C)c(OC)c1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599060459 460145270 /nfs/dbraw/zinc/14/52/70/460145270.db2.gz AFQUTGJUWZHVSI-UHFFFAOYSA-N 0 0 341.371 3.060 10 5 EGBERN Cc1c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594204017 460149172 /nfs/dbraw/zinc/14/91/72/460149172.db2.gz OYHFLZZPIAHPAU-ZDUSSCGKSA-N 0 0 332.400 3.467 10 5 EGBERN COC(=O)c1ccc2c(c1)CN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC000589862280 460152760 /nfs/dbraw/zinc/15/27/60/460152760.db2.gz FRVHLGLNMQGEKL-UHFFFAOYSA-N 0 0 349.346 3.450 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594213755 460154412 /nfs/dbraw/zinc/15/44/12/460154412.db2.gz ZTGVIRKUDMFOBT-GXTWGEPZSA-N 0 0 337.420 3.406 10 5 EGBERN CCO[C@H]1C[C@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC000599082036 460155482 /nfs/dbraw/zinc/15/54/82/460155482.db2.gz WXIBWMPSHLVXLO-YJBOKZPZSA-N 0 0 345.399 3.121 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594252920 460172601 /nfs/dbraw/zinc/17/26/01/460172601.db2.gz CIJYHJWATPZVOZ-IRXDYDNUSA-N 0 0 347.415 3.084 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(-c2cscn2)cc1 ZINC000610515920 460173061 /nfs/dbraw/zinc/17/30/61/460173061.db2.gz HCKODIRCWKHPHO-UHFFFAOYSA-N 0 0 342.336 3.005 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598099357 460173249 /nfs/dbraw/zinc/17/32/49/460173249.db2.gz CIGPWBXWGMVNKP-XJKSGUPXSA-N 0 0 340.379 3.208 10 5 EGBERN CC1(C)C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C(C)(C)O1 ZINC000599145633 460174733 /nfs/dbraw/zinc/17/47/33/460174733.db2.gz XJBPXSAGAKHHQW-LBPRGKRZSA-N 0 0 332.360 3.025 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594280107 460179833 /nfs/dbraw/zinc/17/98/33/460179833.db2.gz LNIUIYFEWRSTNP-DOTOQJQBSA-N 0 0 349.431 3.126 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(Cc3nc(C4CCC4)no3)CC2)s1 ZINC000599167877 460184757 /nfs/dbraw/zinc/18/47/57/460184757.db2.gz SLLQEPBMHGUCJK-UHFFFAOYSA-N 0 0 349.416 3.161 10 5 EGBERN C[C@@H](c1nc([C@@H](C)c2cnccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC000599194065 460194895 /nfs/dbraw/zinc/19/48/95/460194895.db2.gz OOPKTGNEFPAKRL-MNOVXSKESA-N 0 0 325.328 3.071 10 5 EGBERN C[C@H](c1nc([C@@H](C)c2cnccn2)no1)c1cccc([N+](=O)[O-])c1 ZINC000599194066 460195146 /nfs/dbraw/zinc/19/51/46/460195146.db2.gz OOPKTGNEFPAKRL-QWRGUYRKSA-N 0 0 325.328 3.071 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594395775 460204261 /nfs/dbraw/zinc/20/42/61/460204261.db2.gz HSVPLWPYLQVECV-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598208596 460204526 /nfs/dbraw/zinc/20/45/26/460204526.db2.gz ORTVECVUCVTHQY-USWWRNFRSA-N 0 0 340.326 3.362 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1OC ZINC000598207514 460204687 /nfs/dbraw/zinc/20/46/87/460204687.db2.gz HLAAMJJVOSHJQL-AGIUHOORSA-N 0 0 348.399 3.168 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000594399893 460206094 /nfs/dbraw/zinc/20/60/94/460206094.db2.gz DFSSNXVTVAFLCB-HAQNSBGRSA-N 0 0 331.372 3.152 10 5 EGBERN Cc1ccccc1CC1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000610660180 460207234 /nfs/dbraw/zinc/20/72/34/460207234.db2.gz HEESEPXNTPVMJD-UHFFFAOYSA-N 0 0 339.395 3.016 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594410565 460209856 /nfs/dbraw/zinc/20/98/56/460209856.db2.gz JMURGPSZFQSGBS-RDJZCZTQSA-N 0 0 348.399 3.022 10 5 EGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000594411719 460210740 /nfs/dbraw/zinc/21/07/40/460210740.db2.gz VDKUVBPOCIGKMI-ZBFHGGJFSA-N 0 0 331.372 3.154 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000598230635 460215225 /nfs/dbraw/zinc/21/52/25/460215225.db2.gz NVJFPTSJCCMJIT-QGZVFWFLSA-N 0 0 346.408 3.469 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598232193 460215416 /nfs/dbraw/zinc/21/54/16/460215416.db2.gz ZWAACFZIUORATO-JTQLQIEISA-N 0 0 346.305 3.408 10 5 EGBERN O=C(CCC(=O)N1CCC[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000598232223 460216015 /nfs/dbraw/zinc/21/60/15/460216015.db2.gz ZXTVKANNVHKAOE-ZDUSSCGKSA-N 0 0 336.363 3.156 10 5 EGBERN Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C=CCCC3)c1[N+](=O)[O-] ZINC000598234661 460217136 /nfs/dbraw/zinc/21/71/36/460217136.db2.gz WFVPKZVYLIHSNL-UHFFFAOYSA-N 0 0 326.356 3.239 10 5 EGBERN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000610770983 460234240 /nfs/dbraw/zinc/23/42/40/460234240.db2.gz YQUZCOGTWGBGIY-UHFFFAOYSA-N 0 0 349.730 3.072 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000610865392 460251710 /nfs/dbraw/zinc/25/17/10/460251710.db2.gz HEWGEBPMYKMSDA-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000599547528 460272013 /nfs/dbraw/zinc/27/20/13/460272013.db2.gz CWDAHYZHMYVUHD-QGZVFWFLSA-N 0 0 344.367 3.159 10 5 EGBERN CC(=O)c1cccc(C(F)(F)F)c1OCc1cn(C)nc1[N+](=O)[O-] ZINC000603329095 460285572 /nfs/dbraw/zinc/28/55/72/460285572.db2.gz IOLJIEUFKQVHOK-UHFFFAOYSA-N 0 0 343.261 3.129 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000611117443 460291239 /nfs/dbraw/zinc/29/12/39/460291239.db2.gz ANCPGDUVINFNGN-SECBINFHSA-N 0 0 332.809 3.024 10 5 EGBERN CC[C@H](CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599651182 460298548 /nfs/dbraw/zinc/29/85/48/460298548.db2.gz HWXSQKFNLJLZJC-MEDUHNTESA-N 0 0 344.358 3.254 10 5 EGBERN C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599676125 460306272 /nfs/dbraw/zinc/30/62/72/460306272.db2.gz YTVNPKUMNZIPEP-GUYCJALGSA-N 0 0 328.372 3.409 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C(C)C)C1 ZINC000611215918 460310211 /nfs/dbraw/zinc/31/02/11/460310211.db2.gz IFBKRWISXBEWFW-UHFFFAOYSA-N 0 0 338.429 3.061 10 5 EGBERN COC(=O)C1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599687347 460310993 /nfs/dbraw/zinc/31/09/93/460310993.db2.gz BHIAMHQSJBAFAF-QWRGUYRKSA-N 0 0 340.807 3.410 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599701850 460316499 /nfs/dbraw/zinc/31/64/99/460316499.db2.gz MROCZZUOIOAUNO-SNVBAGLBSA-N 0 0 327.768 3.186 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cccnc2)CC1 ZINC000611256081 460319144 /nfs/dbraw/zinc/31/91/44/460319144.db2.gz JVNVGAOLDBWVEJ-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599717516 460319720 /nfs/dbraw/zinc/31/97/20/460319720.db2.gz HHNJGTFDGIYAOH-OAHLLOKOSA-N 0 0 342.395 3.167 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CCc2ccccc2CC1 ZINC000599718699 460320404 /nfs/dbraw/zinc/32/04/04/460320404.db2.gz UCEJAERWMJHWPI-UHFFFAOYSA-N 0 0 338.407 3.449 10 5 EGBERN CN(Cc1ccc(C(C)(C)C)cc1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000603579312 460323682 /nfs/dbraw/zinc/32/36/82/460323682.db2.gz XLPCZRLMGIJKSQ-UHFFFAOYSA-N 0 0 342.399 3.023 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599770161 460330754 /nfs/dbraw/zinc/33/07/54/460330754.db2.gz KVTXQBOMZWYKSV-NEPJUHHUSA-N 0 0 337.401 3.105 10 5 EGBERN O=C(c1coc(C(F)F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599806914 460337350 /nfs/dbraw/zinc/33/73/50/460337350.db2.gz BTUCAWFIGGHESG-UHFFFAOYSA-N 0 0 338.266 3.029 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599823741 460342250 /nfs/dbraw/zinc/34/22/50/460342250.db2.gz FSKKXICNSYIFKY-NSHDSACASA-N 0 0 339.189 3.420 10 5 EGBERN CC(C)(C)C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831237 460343719 /nfs/dbraw/zinc/34/37/19/460343719.db2.gz JJJHWPNOOXEHJH-NSHDSACASA-N 0 0 346.387 3.062 10 5 EGBERN CN(CC1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832612 460343957 /nfs/dbraw/zinc/34/39/57/460343957.db2.gz GGNPJVNEFVHGEQ-UHFFFAOYSA-N 0 0 344.371 3.033 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCCC(F)(F)C1 ZINC000599834973 460344840 /nfs/dbraw/zinc/34/48/40/460344840.db2.gz QKRKTEWMSLJMRK-UHFFFAOYSA-N 0 0 336.298 3.406 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599834093 460344911 /nfs/dbraw/zinc/34/49/11/460344911.db2.gz FOXZZFZPLNHUFP-RYUDHWBXSA-N 0 0 344.371 3.222 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[C@H]1C ZINC000599833425 460344965 /nfs/dbraw/zinc/34/49/65/460344965.db2.gz RNIRWZHVLMDKLJ-BDJLRTHQSA-N 0 0 344.371 3.032 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000599837444 460345298 /nfs/dbraw/zinc/34/52/98/460345298.db2.gz FIRXARCIZTUCIS-OSMZGAPFSA-N 0 0 326.356 3.453 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCO1 ZINC000599835705 460345529 /nfs/dbraw/zinc/34/55/29/460345529.db2.gz NIKVEJQIKNECOT-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN CO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)CC(C)C ZINC000599837973 460346252 /nfs/dbraw/zinc/34/62/52/460346252.db2.gz HIAKIFXMGYGTTE-LBPRGKRZSA-N 0 0 346.387 3.326 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000599929606 460361066 /nfs/dbraw/zinc/36/10/66/460361066.db2.gz TTZPLHLBMDERIL-LSDHHAIUSA-N 0 0 330.409 3.461 10 5 EGBERN CC(C)c1nocc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000599945567 460362699 /nfs/dbraw/zinc/36/26/99/460362699.db2.gz JTBLFLAHUBQIRA-UHFFFAOYSA-N 0 0 342.355 3.160 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1F ZINC000611503307 460379256 /nfs/dbraw/zinc/37/92/56/460379256.db2.gz PYIYNYVFBHJOOQ-SCZZXKLOSA-N 0 0 347.293 3.408 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611505705 460380681 /nfs/dbraw/zinc/38/06/81/460380681.db2.gz AYHCVYYYUHMWCA-UHFFFAOYSA-N 0 0 340.807 3.302 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(-c3cnn(CC(F)(F)F)c3)n2)c1 ZINC000615780825 460390324 /nfs/dbraw/zinc/39/03/24/460390324.db2.gz GADOHICOILJIBV-UHFFFAOYSA-N 0 0 339.233 3.071 10 5 EGBERN C[C@@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590183 460392321 /nfs/dbraw/zinc/39/23/21/460392321.db2.gz NQPXRPALNLHIHE-DGCLKSJQSA-N 0 0 331.397 3.258 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000611568397 460402416 /nfs/dbraw/zinc/40/24/16/460402416.db2.gz PCRZHGPWGULOSO-SECBINFHSA-N 0 0 349.721 3.484 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000611616459 460414748 /nfs/dbraw/zinc/41/47/48/460414748.db2.gz QZQYWOXZKZMJBE-AWEZNQCLSA-N 0 0 344.419 3.163 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000611616688 460414807 /nfs/dbraw/zinc/41/48/07/460414807.db2.gz DPJMBOOLAYZEBS-MRXNPFEDSA-N 0 0 349.431 3.161 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C2CCOCC2)C1 ZINC000619730614 460424725 /nfs/dbraw/zinc/42/47/25/460424725.db2.gz WOGDNZQHIHLIMP-HNNXBMFYSA-N 0 0 346.427 3.049 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@H](CCF)C3)o2)c1 ZINC000600206413 460438960 /nfs/dbraw/zinc/43/89/60/460438960.db2.gz XGCILFPAVNEPLQ-OAHLLOKOSA-N 0 0 334.347 3.415 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000600305631 460469137 /nfs/dbraw/zinc/46/91/37/460469137.db2.gz ULNYJDHPXOZOSF-UHFFFAOYSA-N 0 0 332.400 3.351 10 5 EGBERN COc1ccc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000600368390 460485400 /nfs/dbraw/zinc/48/54/00/460485400.db2.gz XMYFGEVFPMONTC-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN CCCc1n[nH]c(C(=O)NCC(C)(C)C(F)(F)CC)c1[N+](=O)[O-] ZINC000600390392 460487672 /nfs/dbraw/zinc/48/76/72/460487672.db2.gz SKPLAPCIAFAUQE-UHFFFAOYSA-N 0 0 332.351 3.072 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000600391777 460487897 /nfs/dbraw/zinc/48/78/97/460487897.db2.gz GXFUPMRPKJKKKT-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])cc1F ZINC000600444951 460496073 /nfs/dbraw/zinc/49/60/73/460496073.db2.gz KGPZLKYHMMAFBZ-JOYOIKCWSA-N 0 0 336.344 3.090 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000600444812 460496713 /nfs/dbraw/zinc/49/67/13/460496713.db2.gz KJFWXMBPONXGPU-VSBZFQJLSA-N 0 0 338.429 3.004 10 5 EGBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]2C[C@H]2C1 ZINC000600490982 460505397 /nfs/dbraw/zinc/50/53/97/460505397.db2.gz JKBCKDOWCJAVDK-ORMTXKICSA-N 0 0 340.326 3.362 10 5 EGBERN CC(C)(C)n1cnnc1SCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600541198 460516739 /nfs/dbraw/zinc/51/67/39/460516739.db2.gz OYBOYJFINAQKKQ-UHFFFAOYSA-N 0 0 338.364 3.055 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)nc2c1 ZINC000601190012 460744626 /nfs/dbraw/zinc/74/46/26/460744626.db2.gz ZCABMTMAFCFSSD-KBRIMQKVSA-N 0 0 344.415 3.381 10 5 EGBERN Cc1c(Br)c(N2CC[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000601188716 460745379 /nfs/dbraw/zinc/74/53/79/460745379.db2.gz MCOCVOMVCRSZCT-ZETCQYMHSA-N 0 0 340.099 3.202 10 5 EGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)n1cccn1 ZINC000601198342 460748259 /nfs/dbraw/zinc/74/82/59/460748259.db2.gz WEETXTGRLRXKPG-UHFFFAOYSA-N 0 0 329.282 3.052 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(Cc2cccs2)C1 ZINC000601204803 460750097 /nfs/dbraw/zinc/75/00/97/460750097.db2.gz RUOIJKRQHBFDKD-UHFFFAOYSA-N 0 0 346.334 3.088 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000601208906 460750751 /nfs/dbraw/zinc/75/07/51/460750751.db2.gz QHILSMYWXSBCQI-JTQLQIEISA-N 0 0 331.756 3.379 10 5 EGBERN Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@H]2C)c([N+](=O)[O-])s1 ZINC000601362361 460796076 /nfs/dbraw/zinc/79/60/76/460796076.db2.gz MCIRVXWBQHRYPP-SNVBAGLBSA-N 0 0 338.410 3.230 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601392829 460803202 /nfs/dbraw/zinc/80/32/02/460803202.db2.gz TYVLTTYUIANFAR-ZWKOTPCHSA-N 0 0 344.411 3.149 10 5 EGBERN CC(C)(C(=O)N1CC(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613023097 460806887 /nfs/dbraw/zinc/80/68/87/460806887.db2.gz ZJDPLFUBJZBIJT-UHFFFAOYSA-N 0 0 348.296 3.422 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOc2ncccc2C1 ZINC000613084641 460821886 /nfs/dbraw/zinc/82/18/86/460821886.db2.gz YLWMELWPFLWBCJ-UHFFFAOYSA-N 0 0 342.355 3.033 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000601554501 460830684 /nfs/dbraw/zinc/83/06/84/460830684.db2.gz FKXKQRNGLIJCLE-HNNXBMFYSA-N 0 0 329.356 3.481 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 ZINC000617371132 460834098 /nfs/dbraw/zinc/83/40/98/460834098.db2.gz PWHLGIKEWJAXPI-OAHLLOKOSA-N 0 0 328.372 3.035 10 5 EGBERN CC(C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCO1 ZINC000601602174 460844445 /nfs/dbraw/zinc/84/44/45/460844445.db2.gz PWJMPDNHOIPWDG-QGZVFWFLSA-N 0 0 346.427 3.290 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601617147 460847492 /nfs/dbraw/zinc/84/74/92/460847492.db2.gz HSZWALDOJSRSEI-LSDHHAIUSA-N 0 0 347.415 3.416 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601659059 460860395 /nfs/dbraw/zinc/86/03/95/460860395.db2.gz QSONIULLNVHUTL-SJORKVTESA-N 0 0 347.415 3.084 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)c1C ZINC000601699003 460874548 /nfs/dbraw/zinc/87/45/48/460874548.db2.gz AZPSCAVAPVKVIF-UHFFFAOYSA-N 0 0 330.388 3.009 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601744155 460888502 /nfs/dbraw/zinc/88/85/02/460888502.db2.gz XJIMVUWUMRYGMO-UHFFFAOYSA-N 0 0 345.424 3.075 10 5 EGBERN O=C(CCC(=O)N1CCC(CCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601746634 460889387 /nfs/dbraw/zinc/88/93/87/460889387.db2.gz DEJNMVVEGFMKRK-UHFFFAOYSA-N 0 0 336.363 3.156 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000601768365 460893143 /nfs/dbraw/zinc/89/31/43/460893143.db2.gz AYKOZUFWDAKSHC-MMPTUQATSA-N 0 0 338.791 3.464 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601767288 460893232 /nfs/dbraw/zinc/89/32/32/460893232.db2.gz LXNIFYMLDYGSQC-KKZNHRDASA-N 0 0 344.820 3.022 10 5 EGBERN Cc1cccc([C@H](C)C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601773698 460894526 /nfs/dbraw/zinc/89/45/26/460894526.db2.gz AQNOHULDNKVIIK-LIRRHRJNSA-N 0 0 342.395 3.031 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601810839 460907166 /nfs/dbraw/zinc/90/71/66/460907166.db2.gz FSMWBBBSBBLKSV-CQSZACIVSA-N 0 0 342.342 3.214 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425439408 518199771 /nfs/dbraw/zinc/19/97/71/518199771.db2.gz BOERMXKYQSWIRU-WMZOPIPTSA-N 0 0 343.358 3.074 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000286301820 518203041 /nfs/dbraw/zinc/20/30/41/518203041.db2.gz DQQISHRBRXSGFT-NHYWBVRUSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cs1 ZINC000187036421 534564656 /nfs/dbraw/zinc/56/46/56/534564656.db2.gz KJOLYILZXMNICB-HNNXBMFYSA-N 0 0 347.396 3.102 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377515 534725571 /nfs/dbraw/zinc/72/55/71/534725571.db2.gz HNJKEWMYSFSBMZ-NSHDSACASA-N 0 0 339.351 3.145 10 5 EGBERN CC(C)(C)c1csc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000154570527 526835093 /nfs/dbraw/zinc/83/50/93/526835093.db2.gz JKWINPVJVHRNOY-UHFFFAOYSA-N 0 0 333.369 3.305 10 5 EGBERN CC(C)[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000348037400 535107887 /nfs/dbraw/zinc/10/78/87/535107887.db2.gz AYMVZOBREABLFZ-LBPRGKRZSA-N 0 0 329.278 3.393 10 5 EGBERN CC(C)(NC(=O)N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000175465736 535228265 /nfs/dbraw/zinc/22/82/65/535228265.db2.gz LJPZTEYRXLLWFU-HNNXBMFYSA-N 0 0 341.367 3.263 10 5 EGBERN COc1ccc2occ(C(=O)NCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000337823637 537058735 /nfs/dbraw/zinc/05/87/35/537058735.db2.gz WBLNDBONLBUTPE-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN CCc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000369950588 547786779 /nfs/dbraw/zinc/78/67/79/547786779.db2.gz CVEVESGWZIVXEC-UHFFFAOYSA-N 0 0 337.339 3.195 10 5 EGBERN CC(C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(F)F ZINC000684344536 550317470 /nfs/dbraw/zinc/31/74/70/550317470.db2.gz XNSQASLRBYXVQK-UHFFFAOYSA-N 0 0 330.334 3.455 10 5 EGBERN Cc1[nH]nc2nc(C)cc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC000727003587 574630458 /nfs/dbraw/zinc/63/04/58/574630458.db2.gz ZGVZTXRXKVQDFM-NSHDSACASA-N 0 0 340.339 3.401 10 5 EGBERN COc1ccc(C)c(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1N ZINC000727007889 574631401 /nfs/dbraw/zinc/63/14/01/574631401.db2.gz FIVKIACDCJGOJI-NSHDSACASA-N 0 0 330.340 3.412 10 5 EGBERN COc1ccc(CC(=O)O[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000727955546 574706192 /nfs/dbraw/zinc/70/61/92/574706192.db2.gz GIWXPBPINQHTJO-INIZCTEOSA-N 0 0 327.336 3.377 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000728202037 574729489 /nfs/dbraw/zinc/72/94/89/574729489.db2.gz RLDNJAQHIBAPTC-MELADBBJSA-N 0 0 331.416 3.135 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728502736 574755572 /nfs/dbraw/zinc/75/55/72/574755572.db2.gz OGUVVABRNIMCGO-HIFRSBDPSA-N 0 0 338.379 3.444 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(N)c([N+](=O)[O-])c1 ZINC000729283086 574835334 /nfs/dbraw/zinc/83/53/34/574835334.db2.gz NLVSWACTRJSLCY-OAHLLOKOSA-N 0 0 325.368 3.293 10 5 EGBERN COC(=O)c1cc(N2C[C@@H](C)OC3(CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000592000972 574954340 /nfs/dbraw/zinc/95/43/40/574954340.db2.gz OAEZJKGDVBEQDR-CYBMUJFWSA-N 0 0 348.399 3.228 10 5 EGBERN CNc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000731657173 575194799 /nfs/dbraw/zinc/19/47/99/575194799.db2.gz XURBBYAPHDAIRE-UHFFFAOYSA-N 0 0 340.383 3.271 10 5 EGBERN C/C(=C\C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000731994303 575229918 /nfs/dbraw/zinc/22/99/18/575229918.db2.gz SJNOSPFCUVDJEB-ACCUITESSA-N 0 0 344.342 3.332 10 5 EGBERN C[C@@H](CCCOCc1ccccc1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000732510509 575273629 /nfs/dbraw/zinc/27/36/29/575273629.db2.gz UPFMCRYLCGVOAZ-AWEZNQCLSA-N 0 0 346.383 3.476 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000732942200 575297593 /nfs/dbraw/zinc/29/75/93/575297593.db2.gz LJRFKOVFONCFSG-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000733803659 575398510 /nfs/dbraw/zinc/39/85/10/575398510.db2.gz WYMACDWAWVKBDZ-CQSZACIVSA-N 0 0 346.431 3.005 10 5 EGBERN CCC/C=C/C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000735212064 575622575 /nfs/dbraw/zinc/62/25/75/575622575.db2.gz WSPRNXKHGJYHCE-QPJJXVBHSA-N 0 0 333.388 3.106 10 5 EGBERN COc1ccc2c(c1)CN(c1cc(OC)cc(F)c1[N+](=O)[O-])CC2 ZINC000741750126 576716832 /nfs/dbraw/zinc/71/68/32/576716832.db2.gz CHGBMBBURWDGOP-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN Cc1ncc(Cl)c(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000741931645 576734911 /nfs/dbraw/zinc/73/49/11/576734911.db2.gz JCRIWMGJVCNRJL-UHFFFAOYSA-N 0 0 342.138 3.357 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000744260874 576824152 /nfs/dbraw/zinc/82/41/52/576824152.db2.gz RQMIOWVAWBJKMS-INIZCTEOSA-N 0 0 345.399 3.363 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000744260875 576824155 /nfs/dbraw/zinc/82/41/55/576824155.db2.gz RQMIOWVAWBJKMS-MRXNPFEDSA-N 0 0 345.399 3.363 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC3(C2)CCCCC3)cs1 ZINC000119862849 1293291382 /nfs/dbraw/zinc/29/13/82/1293291382.db2.gz WHZZGAGCNIUNAJ-UHFFFAOYSA-N 0 0 330.431 3.001 10 5 EGBERN CCOc1ccc(C(=O)N(C)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000156136210 1294128717 /nfs/dbraw/zinc/12/87/17/1294128717.db2.gz VMFOEQROXKIGIR-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OCCOC(C)C ZINC000165125218 1294355562 /nfs/dbraw/zinc/35/55/62/1294355562.db2.gz MDQMCCIFNIPRQT-UHFFFAOYSA-N 0 0 346.177 3.364 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1nccn1Cc1ccccc1 ZINC000176910251 1294641836 /nfs/dbraw/zinc/64/18/36/1294641836.db2.gz XJZQNSVDSKHKCN-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)C1(Cc2ccc(O)cc2)CC1 ZINC000869921315 1295539546 /nfs/dbraw/zinc/53/95/46/1295539546.db2.gz ZVZGXCGRDGQYCA-UHFFFAOYSA-N 0 0 327.336 3.367 10 5 EGBERN Cc1cc(C(=O)OCc2cnn(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000870608006 1295973992 /nfs/dbraw/zinc/97/39/92/1295973992.db2.gz QVAIRDDIWAAXKK-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN C/C(=C/C(=O)Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000870694125 1296023722 /nfs/dbraw/zinc/02/37/22/1296023722.db2.gz ADDZBDQAZNWMKE-BENRWUELSA-N 0 0 326.356 3.170 10 5 EGBERN CS[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829240 1296106192 /nfs/dbraw/zinc/10/61/92/1296106192.db2.gz JDNJPFJLWCASRU-PESDSKBTSA-N 0 0 347.396 3.142 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C(C1CCC1)C1CCC1 ZINC000870828160 1296106231 /nfs/dbraw/zinc/10/62/31/1296106231.db2.gz LHXCOXALASFCPH-UHFFFAOYSA-N 0 0 333.388 3.254 10 5 EGBERN C/C(=C/C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000870830212 1296108190 /nfs/dbraw/zinc/10/81/90/1296108190.db2.gz WVLQRVXDHUPHHF-WZUFQYTHSA-N 0 0 345.330 3.281 10 5 EGBERN C/C(=C\C(=O)Nc1c2c(nn1C)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000870880277 1296127648 /nfs/dbraw/zinc/12/76/48/1296127648.db2.gz RCSAPXYZCFLCNI-VAWYXSNFSA-N 0 0 340.383 3.249 10 5 EGBERN O=C(NCC1CCC2(CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000871014417 1296177568 /nfs/dbraw/zinc/17/75/68/1296177568.db2.gz HUSHEXIPFSVCOT-UHFFFAOYSA-N 0 0 332.356 3.024 10 5 EGBERN CSc1ccc(C(=O)NC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000871164443 1296252531 /nfs/dbraw/zinc/25/25/31/1296252531.db2.gz WAMVKNDUFIUFMT-AWEZNQCLSA-N 0 0 338.429 3.394 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871287874 1296318944 /nfs/dbraw/zinc/31/89/44/1296318944.db2.gz YCLVXDOMEFPBLF-XHDPSFHLSA-N 0 0 338.791 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000871337150 1296359128 /nfs/dbraw/zinc/35/91/28/1296359128.db2.gz WTCBGLBCVPFEPY-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN CC1(C)CCc2onc(COc3ccc([N+](=O)[O-])c(CO)c3)c2C1 ZINC000871669292 1296473119 /nfs/dbraw/zinc/47/31/19/1296473119.db2.gz KZKGGLQSOVITGR-UHFFFAOYSA-N 0 0 332.356 3.169 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OCC[C@@H]1CCCCO1 ZINC000871693844 1296483737 /nfs/dbraw/zinc/48/37/37/1296483737.db2.gz FOJUTSUGRBZEEY-VIFPVBQESA-N 0 0 331.166 3.090 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OCc2nc(CC3CC3)no2)cc1Cl ZINC000871693522 1296483943 /nfs/dbraw/zinc/48/39/43/1296483943.db2.gz CDGXGLVYSXCQMA-UHFFFAOYSA-N 0 0 327.699 3.302 10 5 EGBERN O=c1[nH]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc2cnccc12 ZINC000255062623 1296493818 /nfs/dbraw/zinc/49/38/18/1296493818.db2.gz DKDMUAQGMKLFDB-RJRFIUFISA-N 0 0 328.715 3.462 10 5 EGBERN Cc1ccc(Cn2c3ccccc3nc2NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000871721065 1296500149 /nfs/dbraw/zinc/50/01/49/1296500149.db2.gz RPYSQRDAONZEMI-ZDUSSCGKSA-N 0 0 340.383 3.094 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NCc1cn(C)nc1Br ZINC000871830049 1296552205 /nfs/dbraw/zinc/55/22/05/1296552205.db2.gz VFOHPMXLMIBVAD-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN C[C@H](NCCC(=O)NC1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024868 1296668538 /nfs/dbraw/zinc/66/85/38/1296668538.db2.gz WSJOIDZAHKQYDZ-LBPRGKRZSA-N 0 0 337.395 3.224 10 5 EGBERN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872044867 1296694077 /nfs/dbraw/zinc/69/40/77/1296694077.db2.gz GTRGFYFVJKADBK-NOZJJQNGSA-N 0 0 340.301 3.396 10 5 EGBERN C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057618 1296705229 /nfs/dbraw/zinc/70/52/29/1296705229.db2.gz ZLOCYZMIGJLDBG-GFCCVEGCSA-N 0 0 346.362 3.139 10 5 EGBERN CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000879799278 1300740044 /nfs/dbraw/zinc/74/00/44/1300740044.db2.gz LLZWGLBDUPVMEN-CXAGYDPISA-N 0 0 334.420 3.171 10 5 EGBERN CC(=O)c1c(NC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000881856744 1301743131 /nfs/dbraw/zinc/74/31/31/1301743131.db2.gz UFXDGWLQOQWNRH-UHFFFAOYSA-N 0 0 345.321 3.236 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cccs2)CC1 ZINC000882085521 1301821441 /nfs/dbraw/zinc/82/14/41/1301821441.db2.gz WVKFXZXGFVSZNF-UHFFFAOYSA-N 0 0 331.397 3.186 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC2(COC2)CC1 ZINC000882771463 1302100312 /nfs/dbraw/zinc/10/03/12/1302100312.db2.gz DCXLLPUTGOSDRI-JLHYYAGUSA-N 0 0 330.384 3.074 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1cnn(C)c1)C(C)C ZINC000885423460 1303137241 /nfs/dbraw/zinc/13/72/41/1303137241.db2.gz BKRWTXUHWCNDPJ-HOFZKYPUSA-N 0 0 342.399 3.245 10 5 EGBERN C/C(=C\C(=O)N[C@H](c1cnn(C)c1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000885424964 1303138408 /nfs/dbraw/zinc/13/84/08/1303138408.db2.gz UHWMAVJOWFENGZ-FUNAXGEOSA-N 0 0 342.399 3.245 10 5 EGBERN O=C(N[C@@H]1CCOC12CCCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000888312151 1304117651 /nfs/dbraw/zinc/11/76/51/1304117651.db2.gz VIXUPJLCQHVKSW-GVDBMIGSSA-N 0 0 344.411 3.306 10 5 EGBERN C/C(=C/C(=O)NC1CC2(C1)CO[C@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000888723683 1304252454 /nfs/dbraw/zinc/25/24/54/1304252454.db2.gz NSICSELIDCRJEV-SXQUABRKSA-N 0 0 330.384 3.072 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccoc2)C1 ZINC000890572972 1304821546 /nfs/dbraw/zinc/82/15/46/1304821546.db2.gz QDYOVJFRZYBHRE-JYRVWZFOSA-N 0 0 326.352 3.292 10 5 EGBERN COc1ccc(C(=O)O[C@@H]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000893484440 1305918298 /nfs/dbraw/zinc/91/82/98/1305918298.db2.gz WLXODRHNGOECOQ-UKRRQHHQSA-N 0 0 337.372 3.211 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000893855746 1306100180 /nfs/dbraw/zinc/10/01/80/1306100180.db2.gz IDLSVFXZQKRVSR-HUUCEWRRSA-N 0 0 334.416 3.455 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)Cn3nccc32)cc1Cl ZINC000893882403 1306111988 /nfs/dbraw/zinc/11/19/88/1306111988.db2.gz SRGQJLSKDGXFGQ-SECBINFHSA-N 0 0 334.763 3.050 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000893957378 1306145938 /nfs/dbraw/zinc/14/59/38/1306145938.db2.gz DDRMCCDUDLEJTP-WMZOPIPTSA-N 0 0 328.343 3.279 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccns1 ZINC000894086790 1306210251 /nfs/dbraw/zinc/21/02/51/1306210251.db2.gz MWUHEVFNNJBWIB-SNVBAGLBSA-N 0 0 337.426 3.191 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894301185 1306330809 /nfs/dbraw/zinc/33/08/09/1306330809.db2.gz TYTUWJQYHNKVOQ-SCLBCKFNSA-N 0 0 342.399 3.100 10 5 EGBERN C[C@H](C(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000894502658 1308926215 /nfs/dbraw/zinc/92/62/15/1308926215.db2.gz DOVXLQBCSMKKMZ-WCQYABFASA-N 0 0 338.379 3.159 10 5 EGBERN O=C(N1CC[C@@H]([C@@H]2CCCO2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894694402 1309025108 /nfs/dbraw/zinc/02/51/08/1309025108.db2.gz CZKDAGVKOAFQQJ-PBHICJAKSA-N 0 0 344.411 3.044 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000894702457 1309028697 /nfs/dbraw/zinc/02/86/97/1309028697.db2.gz UMDVWVSRTKYDCI-IAQYHMDHSA-N 0 0 338.791 3.198 10 5 EGBERN CC(=O)c1cc(N2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895596347 1309421759 /nfs/dbraw/zinc/42/17/59/1309421759.db2.gz CKEJNUXFMGFNKQ-GFCCVEGCSA-N 0 0 334.319 3.282 10 5 EGBERN Cc1cc(C)c(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)s1 ZINC000896145012 1309718566 /nfs/dbraw/zinc/71/85/66/1309718566.db2.gz XEWABLCCQHACGY-UHFFFAOYSA-N 0 0 330.369 3.233 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(C2CSC2)no1 ZINC000896721602 1309987985 /nfs/dbraw/zinc/98/79/85/1309987985.db2.gz PRFARNSBRUTHLG-UHFFFAOYSA-N 0 0 341.776 3.083 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(C3CSC3)no2)c(Br)c1 ZINC000896721944 1309988581 /nfs/dbraw/zinc/98/85/81/1309988581.db2.gz SZKDVRJZWVRCPD-UHFFFAOYSA-N 0 0 342.174 3.238 10 5 EGBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)[C@@H]2C1 ZINC000897018592 1310138564 /nfs/dbraw/zinc/13/85/64/1310138564.db2.gz GITDEVDFLTXRID-BVIHXZOGSA-N 0 0 341.367 3.143 10 5 EGBERN CC(C)(CCc1nc(Cc2ccc3cccnc3c2)no1)[N+](=O)[O-] ZINC000897034509 1310146735 /nfs/dbraw/zinc/14/67/35/1310146735.db2.gz OUNFPJQUZPDJAE-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN Cn1c(-c2nc([C@H]3CCOC4(CCCC4)C3)no2)ccc1[N+](=O)[O-] ZINC000897192535 1310217318 /nfs/dbraw/zinc/21/73/18/1310217318.db2.gz FFZQWVFXNOZRJL-NSHDSACASA-N 0 0 332.360 3.190 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC000897282415 1310268030 /nfs/dbraw/zinc/26/80/30/1310268030.db2.gz KKZLTDLZYWIRCP-GFCCVEGCSA-N 0 0 331.397 3.323 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000898388659 1310703748 /nfs/dbraw/zinc/70/37/48/1310703748.db2.gz PHRSWMXAOVEDPY-ZDUSSCGKSA-N 0 0 342.399 3.235 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000857578351 1328552537 /nfs/dbraw/zinc/55/25/37/1328552537.db2.gz JCVFVVVFZAVQEZ-HZPDHXFCSA-N 0 0 327.336 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000857578353 1328552723 /nfs/dbraw/zinc/55/27/23/1328552723.db2.gz JCVFVVVFZAVQEZ-JKSUJKDBSA-N 0 0 327.336 3.239 10 5 EGBERN CC(C)(CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000857637003 1328570762 /nfs/dbraw/zinc/57/07/62/1328570762.db2.gz UNQLXEKOTCRVJQ-UHFFFAOYSA-N 0 0 336.222 3.387 10 5 EGBERN Cc1ncccc1[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000857665250 1328578635 /nfs/dbraw/zinc/57/86/35/1328578635.db2.gz MVWNUGVFGPXFHE-NSHDSACASA-N 0 0 345.311 3.433 10 5 EGBERN Cc1ncccc1[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000857665153 1328579123 /nfs/dbraw/zinc/57/91/23/1328579123.db2.gz KHGUTLIWDYSRHH-NSHDSACASA-N 0 0 347.346 3.421 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2nc(C(C)C)ncc2C1 ZINC000857874496 1328612200 /nfs/dbraw/zinc/61/22/00/1328612200.db2.gz RXGRNEMRHFFJEH-UHFFFAOYSA-N 0 0 340.383 3.274 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cncc21 ZINC000857981142 1328646193 /nfs/dbraw/zinc/64/61/93/1328646193.db2.gz AICBXYKILCCLCI-ZDUSSCGKSA-N 0 0 346.412 3.167 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858009524 1328655435 /nfs/dbraw/zinc/65/54/35/1328655435.db2.gz WJCBEWIIMAFTHA-OAHLLOKOSA-N 0 0 340.383 3.310 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000899413334 1317025296 /nfs/dbraw/zinc/02/52/96/1317025296.db2.gz FVXUVRLXDNTGTF-CYDGBPFRSA-N 0 0 348.399 3.024 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ncccn2)C1 ZINC000899528778 1317074534 /nfs/dbraw/zinc/07/45/34/1317074534.db2.gz UXONHXRJKYDDSF-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN CO[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000929810788 1328707447 /nfs/dbraw/zinc/70/74/47/1328707447.db2.gz XPRPJZNBCYILNM-QGZVFWFLSA-N 0 0 346.358 3.170 10 5 EGBERN CCCCO[C@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384652 1319018993 /nfs/dbraw/zinc/01/89/93/1319018993.db2.gz AHYREDWAZHVSRD-SECBINFHSA-N 0 0 332.759 3.209 10 5 EGBERN CC(=O)CC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913385376 1319020553 /nfs/dbraw/zinc/02/05/53/1319020553.db2.gz YWWLBIYULQDATK-UHFFFAOYSA-N 0 0 342.754 3.153 10 5 EGBERN CCC[C@@H](OCC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386261 1319021449 /nfs/dbraw/zinc/02/14/49/1319021449.db2.gz SAKNCEFMHJVRGA-GFCCVEGCSA-N 0 0 332.759 3.209 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387720 1319022895 /nfs/dbraw/zinc/02/28/95/1319022895.db2.gz QYCOQYJECMCBPQ-APHKKCJPSA-N 0 0 326.755 3.296 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858655683 1328820012 /nfs/dbraw/zinc/82/00/12/1328820012.db2.gz KKEJDOFWVXCVSM-NSHDSACASA-N 0 0 348.256 3.155 10 5 EGBERN C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000914450469 1319330636 /nfs/dbraw/zinc/33/06/36/1319330636.db2.gz BKWYKKRWBCJNJY-SECBINFHSA-N 0 0 335.310 3.288 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000858689733 1328831920 /nfs/dbraw/zinc/83/19/20/1328831920.db2.gz JNWVDAFTJJEJKU-SECBINFHSA-N 0 0 330.262 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(SCc2ccc(N3CCOCC3)cc2)nc1 ZINC000917347183 1319793253 /nfs/dbraw/zinc/79/32/53/1319793253.db2.gz LYPVOPINTJLWNQ-UHFFFAOYSA-N 0 0 331.397 3.119 10 5 EGBERN CN(C[C@H]1CCCCO1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930440713 1328854691 /nfs/dbraw/zinc/85/46/91/1328854691.db2.gz DZXPRCWSTUDKEU-GFCCVEGCSA-N 0 0 340.807 3.208 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)c(F)cc1F ZINC000917830030 1319878171 /nfs/dbraw/zinc/87/81/71/1319878171.db2.gz WQGKGNOFLMKOBU-KBUNVGBDSA-N 0 0 327.205 3.362 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]2C(F)(F)F)c1 ZINC000930516997 1328883951 /nfs/dbraw/zinc/88/39/51/1328883951.db2.gz IZZNRLOHACFRNU-JTQLQIEISA-N 0 0 339.111 3.494 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000930731759 1328951976 /nfs/dbraw/zinc/95/19/76/1328951976.db2.gz LMKHUMZHWNTJRU-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(COc1ccccc1Cl)OCc1csc([N+](=O)[O-])c1 ZINC000918835749 1322001439 /nfs/dbraw/zinc/00/14/39/1322001439.db2.gz QWMRZLFVQBXUIY-UHFFFAOYSA-N 0 0 327.745 3.432 10 5 EGBERN Cc1c(COC(=O)c2cc(-c3ccoc3)[nH]n2)cccc1[N+](=O)[O-] ZINC000919323712 1322055817 /nfs/dbraw/zinc/05/58/17/1322055817.db2.gz ATIRGHWZVBHPJR-UHFFFAOYSA-N 0 0 327.296 3.243 10 5 EGBERN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000921267481 1322282016 /nfs/dbraw/zinc/28/20/16/1322282016.db2.gz QQJDULAPINUFPZ-HNNXBMFYSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000921804977 1322400953 /nfs/dbraw/zinc/40/09/53/1322400953.db2.gz AMTUWMNQOQWYQG-UONOGXRCSA-N 0 0 347.415 3.447 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922178828 1322472970 /nfs/dbraw/zinc/47/29/70/1322472970.db2.gz SOOWRAMRURJWMX-YWKPOLDTSA-N 0 0 345.273 3.261 10 5 EGBERN Cc1cc(F)cc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000922516125 1322546164 /nfs/dbraw/zinc/54/61/64/1322546164.db2.gz TUFHOVFIYXICCB-ZSPDNNCOSA-N 0 0 329.274 3.490 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922520149 1322547251 /nfs/dbraw/zinc/54/72/51/1322547251.db2.gz HSKZQKYQQYUVHE-QWHCGFSZSA-N 0 0 347.289 3.181 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922520150 1322547470 /nfs/dbraw/zinc/54/74/70/1322547470.db2.gz HSKZQKYQQYUVHE-STQMWFEESA-N 0 0 347.289 3.181 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC2(CCCC2)C1 ZINC000923419796 1322748694 /nfs/dbraw/zinc/74/86/94/1322748694.db2.gz COAFULPAIFSHBL-AWEZNQCLSA-N 0 0 349.383 3.256 10 5 EGBERN Cc1ncc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000923596939 1322779548 /nfs/dbraw/zinc/77/95/48/1322779548.db2.gz BIQTWXHXMPKWIV-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCC1(O)CCC1 ZINC000923597017 1322779729 /nfs/dbraw/zinc/77/97/29/1322779729.db2.gz BYDYANZJOWMIDP-UHFFFAOYSA-N 0 0 327.764 3.029 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000923913911 1322845552 /nfs/dbraw/zinc/84/55/52/1322845552.db2.gz VONIHFLDLRDVID-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN CC(C)=CC[C@H]1NC(=O)N([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000924795041 1323165888 /nfs/dbraw/zinc/16/58/88/1323165888.db2.gz UZWSIPYAZUETSX-GXTWGEPZSA-N 0 0 331.372 3.241 10 5 EGBERN O=C(OCCOCC(F)(F)F)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811449 1329083563 /nfs/dbraw/zinc/08/35/63/1329083563.db2.gz QDPJZGKHHGMUPW-UHFFFAOYSA-N 0 0 343.257 3.484 10 5 EGBERN CC(C)(C)CNC(=O)COC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810815 1329083634 /nfs/dbraw/zinc/08/36/34/1329083634.db2.gz CQYJGNHPBAIINJ-UHFFFAOYSA-N 0 0 344.367 3.067 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@]2(CCCOC2)C1 ZINC000859817498 1329084683 /nfs/dbraw/zinc/08/46/83/1329084683.db2.gz POSWOTJZJSOFGW-MRXNPFEDSA-N 0 0 338.791 3.281 10 5 EGBERN C[C@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000859811626 1329083319 /nfs/dbraw/zinc/08/33/19/1329083319.db2.gz SDLNEQWWWAGPOK-SNVBAGLBSA-N 0 0 335.287 3.247 10 5 EGBERN CC(C)N(C)C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811129 1329083323 /nfs/dbraw/zinc/08/33/23/1329083323.db2.gz HDVODOCUXZJYBP-LBPRGKRZSA-N 0 0 344.367 3.160 10 5 EGBERN O=c1ccc([C@@H]2CCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000859890180 1329107421 /nfs/dbraw/zinc/10/74/21/1329107421.db2.gz JNHMMLNIWPJRLB-AWEZNQCLSA-N 0 0 334.763 3.081 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925609 1329111111 /nfs/dbraw/zinc/11/11/11/1329111111.db2.gz PQTWKHAHJHEEPI-XHDPSFHLSA-N 0 0 345.226 3.496 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)(C2CCC2)CC1 ZINC000931495264 1329130150 /nfs/dbraw/zinc/13/01/50/1329130150.db2.gz GFVVUVAXQFCHGM-UHFFFAOYSA-N 0 0 347.415 3.316 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000931494664 1329130471 /nfs/dbraw/zinc/13/04/71/1329130471.db2.gz NSFJBOZOGKHVTP-BLQFLSLASA-N 0 0 333.388 3.236 10 5 EGBERN CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931624196 1329155920 /nfs/dbraw/zinc/15/59/20/1329155920.db2.gz LHWCCQJEFCTNBP-WCQYABFASA-N 0 0 327.768 3.198 10 5 EGBERN C[C@@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000925252055 1325098710 /nfs/dbraw/zinc/09/87/10/1325098710.db2.gz WMLQLZGJXNKJHY-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@]1(Cc2ccccc2)SCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000925456139 1325158699 /nfs/dbraw/zinc/15/86/99/1325158699.db2.gz ZGONBLIBNZUULN-QGZVFWFLSA-N 0 0 343.408 3.138 10 5 EGBERN C[C@@H](OC(=O)C[C@H](C)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860317605 1329303873 /nfs/dbraw/zinc/30/38/73/1329303873.db2.gz BYYRAVYIODHUIQ-DTWKUNHWSA-N 0 0 348.277 3.054 10 5 EGBERN C[C@H](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000860323264 1329304918 /nfs/dbraw/zinc/30/49/18/1329304918.db2.gz JLYRVZUDVLMQLM-SSDOTTSWSA-N 0 0 332.234 3.368 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCO1 ZINC000860420237 1329314979 /nfs/dbraw/zinc/31/49/79/1329314979.db2.gz KOLQFLJIGHSVQD-SJORKVTESA-N 0 0 328.368 3.435 10 5 EGBERN Cc1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(C)n1[C@H]1CCOC1 ZINC000860613503 1329336036 /nfs/dbraw/zinc/33/60/36/1329336036.db2.gz BBTZMVHPDFERGD-ZDUSSCGKSA-N 0 0 348.330 3.333 10 5 EGBERN O=C(OCCC[N+](=O)[O-])[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000860917204 1329369970 /nfs/dbraw/zinc/36/99/70/1329369970.db2.gz HLESLBYQBOYZOR-GOSISDBHSA-N 0 0 340.379 3.000 10 5 EGBERN Cn1ccnc1[C@@H](NCCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000926948349 1327790096 /nfs/dbraw/zinc/79/00/96/1327790096.db2.gz DUMPEUNUUYUZNC-KRWDZBQOSA-N 0 0 326.400 3.364 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCS[C@H](C)C1 ZINC000927254890 1327935674 /nfs/dbraw/zinc/93/56/74/1327935674.db2.gz ZOXPYVWTCNXBOI-ZJUUUORDSA-N 0 0 325.390 3.009 10 5 EGBERN CSC1CCC(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000927382608 1327996361 /nfs/dbraw/zinc/99/63/61/1327996361.db2.gz VDOWHACVQWUHGR-UHFFFAOYSA-N 0 0 340.420 3.314 10 5 EGBERN CSC1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000927385321 1327997269 /nfs/dbraw/zinc/99/72/69/1327997269.db2.gz RNSUYDMUSLLBLB-UHFFFAOYSA-N 0 0 336.457 3.484 10 5 EGBERN CSC1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000927388394 1327999686 /nfs/dbraw/zinc/99/96/86/1327999686.db2.gz NRIDYAMPFIEMHD-UHFFFAOYSA-N 0 0 326.393 3.386 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861184556 1329395384 /nfs/dbraw/zinc/39/53/84/1329395384.db2.gz DMNRBXHBVZNFRU-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN Nc1ccc(NC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000861202139 1329396999 /nfs/dbraw/zinc/39/69/99/1329396999.db2.gz IROURIRWXLWDCY-MRXNPFEDSA-N 0 0 341.371 3.235 10 5 EGBERN C[C@@H](C(=O)NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])cc1F ZINC000928148420 1328217599 /nfs/dbraw/zinc/21/75/99/1328217599.db2.gz DDBWVQZDZCYHTR-SSDOTTSWSA-N 0 0 343.261 3.079 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000928241561 1328251512 /nfs/dbraw/zinc/25/15/12/1328251512.db2.gz GBPJLOZMTIHRKU-CLOOOTJHSA-N 0 0 332.400 3.414 10 5 EGBERN CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC000928246576 1328254062 /nfs/dbraw/zinc/25/40/62/1328254062.db2.gz HXLFDUVBBSCIAV-CJNGLKHVSA-N 0 0 330.388 3.256 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000928600535 1328370075 /nfs/dbraw/zinc/37/00/75/1328370075.db2.gz VWPRYWJTHMMRTL-SECBINFHSA-N 0 0 346.836 3.270 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000929117942 1328509579 /nfs/dbraw/zinc/50/95/79/1328509579.db2.gz CGFFYVMXKXDGMF-NSHDSACASA-N 0 0 349.334 3.415 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861938048 1329451926 /nfs/dbraw/zinc/45/19/26/1329451926.db2.gz SKOAWFBQBSPHOS-LLVKDONJSA-N 0 0 326.780 3.137 10 5 EGBERN COC1([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000861997859 1329454237 /nfs/dbraw/zinc/45/42/37/1329454237.db2.gz WBUYRMFMUADJOQ-LBPRGKRZSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862005136 1329454949 /nfs/dbraw/zinc/45/49/49/1329454949.db2.gz UCVFXDUYVRQOPC-OCCSQVGLSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862999554 1329521792 /nfs/dbraw/zinc/52/17/92/1329521792.db2.gz MHBASOCPQIMZTH-PXDYOCJYSA-N 0 0 328.368 3.290 10 5 EGBERN C/C(=C/C(=O)NCC(=O)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863062702 1329527197 /nfs/dbraw/zinc/52/71/97/1329527197.db2.gz SSCKSKHJBNDVMR-QBFSEMIESA-N 0 0 330.384 3.264 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCC(=O)C2(C)CCCC2)cc1Cl ZINC000863062837 1329527230 /nfs/dbraw/zinc/52/72/30/1329527230.db2.gz XYKDMXCRKOUVDX-UHFFFAOYSA-N 0 0 338.791 3.436 10 5 EGBERN CCn1nc(C)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000863379772 1329550810 /nfs/dbraw/zinc/55/08/10/1329550810.db2.gz FUTUNAPRVJVOCZ-UHFFFAOYSA-N 0 0 340.742 3.093 10 5 EGBERN Cc1nn(C)c(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000863600397 1329565575 /nfs/dbraw/zinc/56/55/75/1329565575.db2.gz NKGLPRLNAVVKOK-UHFFFAOYSA-N 0 0 346.362 3.141 10 5 EGBERN CC1(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])cc2)OCCO1 ZINC000864023636 1329594009 /nfs/dbraw/zinc/59/40/09/1329594009.db2.gz WJGCQDIWUMKJEL-UHFFFAOYSA-N 0 0 329.356 3.009 10 5 EGBERN CN(C)c1ccc([S@](C)(=O)=NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000864086048 1329596959 /nfs/dbraw/zinc/59/69/59/1329596959.db2.gz ATMKGNPSPIHXHS-QHCPKHFHSA-N 0 0 333.413 3.318 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865202989 1329676340 /nfs/dbraw/zinc/67/63/40/1329676340.db2.gz QMHSSZMOZUYJBK-AWEZNQCLSA-N 0 0 338.379 3.084 10 5 EGBERN Cc1ccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000865327422 1329686644 /nfs/dbraw/zinc/68/66/44/1329686644.db2.gz GHIJXZCQMZZOKC-UHFFFAOYSA-N 0 0 331.372 3.000 10 5 EGBERN Cc1nc2c(s1)[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)CCC2 ZINC000865666144 1329726834 /nfs/dbraw/zinc/72/68/34/1329726834.db2.gz KRUJSPXPWCWUDE-LBPRGKRZSA-N 0 0 337.376 3.481 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1C[C@@H](O)CC(F)(F)C1 ZINC000865719290 1329732452 /nfs/dbraw/zinc/73/24/52/1329732452.db2.gz RZODPDDAVOOPED-LURJTMIESA-N 0 0 327.114 3.108 10 5 EGBERN COc1cc(N2CCC[C@@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866053909 1330060249 /nfs/dbraw/zinc/06/02/49/1330060249.db2.gz VHHZQRPHTJOUKZ-AEFFLSMTSA-N 0 0 328.368 3.306 10 5 EGBERN CC1CC(n2nnc3c2CN(c2cc(Cl)ccc2[N+](=O)[O-])CC3)C1 ZINC000866069357 1330061799 /nfs/dbraw/zinc/06/17/99/1330061799.db2.gz MDGVPEAFDNFBKY-UHFFFAOYSA-N 0 0 347.806 3.373 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](C3CCC3)[C@@H]3CCOC3)c2c1 ZINC000866143737 1330070299 /nfs/dbraw/zinc/07/02/99/1330070299.db2.gz MNCJENUZXQGRCL-WBMJQRKESA-N 0 0 328.372 3.155 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](OC2CCC2)CC1 ZINC000866146056 1330070400 /nfs/dbraw/zinc/07/04/00/1330070400.db2.gz SSEYFYTWWMPCRL-ZDUSSCGKSA-N 0 0 335.360 3.431 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H](OC3CCC3)CC2)nc2ccccn21 ZINC000866146949 1330070533 /nfs/dbraw/zinc/07/05/33/1330070533.db2.gz BTCSOAMAZXLUOE-CQSZACIVSA-N 0 0 330.388 3.171 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CC2(CO1)CCOCC2 ZINC000866176227 1330073683 /nfs/dbraw/zinc/07/36/83/1330073683.db2.gz COHGTKFFKPUQBR-LLVKDONJSA-N 0 0 326.780 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CO2)CCOCC3)c2ncccc12 ZINC000866176180 1330073810 /nfs/dbraw/zinc/07/38/10/1330073810.db2.gz BPXRTXBGQDNVMS-ZDUSSCGKSA-N 0 0 343.383 3.141 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CSC[C@H]2C1 ZINC000866200215 1330077706 /nfs/dbraw/zinc/07/77/06/1330077706.db2.gz GADCYJWMBQEAFY-NWDGAFQWSA-N 0 0 345.424 3.341 10 5 EGBERN COc1ccc([C@H]2CN(c3ccc([N+](=O)[O-])c(OC)c3)CCO2)cc1 ZINC000866236537 1330082684 /nfs/dbraw/zinc/08/26/84/1330082684.db2.gz YXGVKBXFFNGDOB-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2ncc([N+](=O)[O-])cc2Cl)no1 ZINC000866250903 1330085642 /nfs/dbraw/zinc/08/56/42/1330085642.db2.gz KGCRNWJOLFLUBC-FGWVZKOKSA-N 0 0 349.778 3.250 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000866274208 1330089239 /nfs/dbraw/zinc/08/92/39/1330089239.db2.gz XRIFEDGPNQKGCH-ICGFCLIJSA-N 0 0 346.383 3.008 10 5 EGBERN O=C(Nc1ccnn1CC1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000866674365 1330140416 /nfs/dbraw/zinc/14/04/16/1330140416.db2.gz CMOOYOGNSOQHIB-UHFFFAOYSA-N 0 0 340.383 3.262 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000867107100 1330175734 /nfs/dbraw/zinc/17/57/34/1330175734.db2.gz INVCNHTYUQYXHJ-TVRKMHQQSA-N 0 0 344.411 3.291 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]1C(F)F ZINC000868599583 1330298567 /nfs/dbraw/zinc/29/85/67/1330298567.db2.gz CGKDCZZPBDRFOI-CQSZACIVSA-N 0 0 339.342 3.065 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000868673651 1330312135 /nfs/dbraw/zinc/31/21/35/1330312135.db2.gz XCRXRFWZSJEDEN-GFCCVEGCSA-N 0 0 327.331 3.138 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000869054343 1330403865 /nfs/dbraw/zinc/40/38/65/1330403865.db2.gz JXESCULNFVMNGB-HNNXBMFYSA-N 0 0 339.342 3.234 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000869053734 1330404128 /nfs/dbraw/zinc/40/41/28/1330404128.db2.gz SDYNRKCZPYMQOS-QGZVFWFLSA-N 0 0 340.383 3.249 10 5 EGBERN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C ZINC000869114710 1330416790 /nfs/dbraw/zinc/41/67/90/1330416790.db2.gz JDNYXSRMLVAPDN-UHFFFAOYSA-N 0 0 329.194 3.157 10 5 EGBERN CCCCC(=O)COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000869385049 1330479235 /nfs/dbraw/zinc/47/92/35/1330479235.db2.gz SVTCCITXUNDUJJ-UHFFFAOYSA-N 0 0 341.385 3.241 10 5 EGBERN COC(=O)c1csc(COC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000869432729 1330492183 /nfs/dbraw/zinc/49/21/83/1330492183.db2.gz SXIHYBKHBLVGQY-UHFFFAOYSA-N 0 0 349.364 3.119 10 5 EGBERN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1(C(F)F)CCC1 ZINC000869706909 1330549246 /nfs/dbraw/zinc/54/92/46/1330549246.db2.gz CUWRSBZBLOFUFM-UHFFFAOYSA-N 0 0 326.255 3.215 10 5 EGBERN COc1ccc(COC(=O)C2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000869809227 1330567977 /nfs/dbraw/zinc/56/79/77/1330567977.db2.gz ATKMICMAKVNQFJ-INIZCTEOSA-N 0 0 349.383 3.386 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000869892051 1330584487 /nfs/dbraw/zinc/58/44/87/1330584487.db2.gz OSLYZUJQTNAJNM-DDNRWTCHSA-N 0 0 346.383 3.066 10 5 EGBERN O=[N+]([O-])c1ccc(I)c(Oc2nccs2)c1 ZINC001307096377 1383939211 /nfs/dbraw/zinc/93/92/11/1383939211.db2.gz FXYYSSVGZAEBCU-UHFFFAOYSA-N 0 0 348.121 3.448 10 5 EGBERN O=C(/C=C\c1ccnc(Cl)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324465448 1387631965 /nfs/dbraw/zinc/63/19/65/1387631965.db2.gz HWIXXJZCCMXSLS-RJRFIUFISA-N 0 0 329.743 3.199 10 5 EGBERN Cc1nc(N[C@@H](c2nccs2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001185305985 1387675939 /nfs/dbraw/zinc/67/59/39/1387675939.db2.gz LTHVLHSMPWVHKA-CYBMUJFWSA-N 0 0 327.369 3.351 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC001324685511 1387735720 /nfs/dbraw/zinc/73/57/20/1387735720.db2.gz JDXYEKJCOCVGSL-XHDPSFHLSA-N 0 0 340.807 3.429 10 5 EGBERN COc1ccc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cn1 ZINC001189666917 1367081966 /nfs/dbraw/zinc/08/19/66/1367081966.db2.gz IEDOCDUSIMISMT-UHFFFAOYSA-N 0 0 332.209 3.134 10 5 EGBERN C[C@H](O)[C@@](C)(CNc1c(Cl)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC001186374373 1387930184 /nfs/dbraw/zinc/93/01/84/1387930184.db2.gz ZZPVSCCIRLRCSG-YVEFUNNKSA-N 0 0 349.818 3.107 10 5 EGBERN O=C(CN1Cc2ccccc2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197136017 1368751768 /nfs/dbraw/zinc/75/17/68/1368751768.db2.gz UOZBVEXOOATYKB-UHFFFAOYSA-N 0 0 347.758 3.134 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC001325410601 1387964792 /nfs/dbraw/zinc/96/47/92/1387964792.db2.gz ISROLVCCGGRJRI-UWVGGRQHSA-N 0 0 345.321 3.440 10 5 EGBERN O=C1CC[C@H](c2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)N1 ZINC001186714312 1387999939 /nfs/dbraw/zinc/99/99/39/1387999939.db2.gz PJDKWTSJWGDSJQ-CYBMUJFWSA-N 0 0 349.350 3.233 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001186731057 1388001851 /nfs/dbraw/zinc/00/18/51/1388001851.db2.gz QOFCGGVLCSFSII-BBBLOLIVSA-N 0 0 342.779 3.260 10 5 EGBERN Cc1cnc(N2CCCN(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC001186854645 1388014485 /nfs/dbraw/zinc/01/44/85/1388014485.db2.gz NKNYFZPBRGKCEO-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN Cc1cccc2c1C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CO2 ZINC001187117092 1388056126 /nfs/dbraw/zinc/05/61/26/1388056126.db2.gz UWHQDDNMVUTGOL-NSHDSACASA-N 0 0 329.312 3.227 10 5 EGBERN C[C@@]1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])COc2ccccc2O1 ZINC001187139966 1388057648 /nfs/dbraw/zinc/05/76/48/1388057648.db2.gz HHIRSLCKUAGXBR-MRXNPFEDSA-N 0 0 345.311 3.145 10 5 EGBERN CC(C)Oc1cccnc1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001118396505 1371173780 /nfs/dbraw/zinc/17/37/80/1371173780.db2.gz VHQLHGUUZMUKEN-UHFFFAOYSA-N 0 0 334.303 3.273 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118561371 1371198999 /nfs/dbraw/zinc/19/89/99/1371198999.db2.gz IXFLTBKEXGGJLY-FOUMNBMASA-N 0 0 339.342 3.307 10 5 EGBERN CC(C)Oc1nc(NCc2ccc3oc(=O)[nH]c3c2)ccc1[N+](=O)[O-] ZINC001187542218 1388123148 /nfs/dbraw/zinc/12/31/48/1388123148.db2.gz POSZSOOEXYANPL-UHFFFAOYSA-N 0 0 344.327 3.236 10 5 EGBERN C[C@@](CO)(NC(=O)/C=C/C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119052362 1371271074 /nfs/dbraw/zinc/27/10/74/1371271074.db2.gz IRJUHEXCIINIGE-ZGKFYVQTSA-N 0 0 332.400 3.055 10 5 EGBERN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@]12CCOC2 ZINC001119493332 1371354690 /nfs/dbraw/zinc/35/46/90/1371354690.db2.gz ZOBOSGRAMREMRT-ZDUSSCGKSA-N 0 0 349.145 3.046 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@]34C[C@H]3CCC4)c2c1 ZINC001187693917 1388145195 /nfs/dbraw/zinc/14/51/95/1388145195.db2.gz GFLWEHCMRRDNNJ-HWPZZCPQSA-N 0 0 328.328 3.075 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001187694194 1388145290 /nfs/dbraw/zinc/14/52/90/1388145290.db2.gz JFKHWJOCKJQLBJ-NWDGAFQWSA-N 0 0 336.392 3.095 10 5 EGBERN CCCc1cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n2ncnc2n1 ZINC001187752837 1388155542 /nfs/dbraw/zinc/15/55/42/1388155542.db2.gz XHDWSOPASSXWQU-GFCCVEGCSA-N 0 0 340.387 3.201 10 5 EGBERN CCOC(=O)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCCC1 ZINC001187792330 1388164054 /nfs/dbraw/zinc/16/40/54/1388164054.db2.gz MNSFHVDLEWQREV-UHFFFAOYSA-N 0 0 343.383 3.100 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001121195313 1371885917 /nfs/dbraw/zinc/88/59/17/1371885917.db2.gz IRBVVCISSKVKJD-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN Cc1cccc([C@@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC001123115394 1372383771 /nfs/dbraw/zinc/38/37/71/1372383771.db2.gz SSBSXGOHHTVIHA-XEBKBJJBSA-N 0 0 329.356 3.150 10 5 EGBERN CCOc1ccc(OCC)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001124145760 1372679757 /nfs/dbraw/zinc/67/97/57/1372679757.db2.gz ZXDJSRYLBFPXEZ-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001124193830 1372682730 /nfs/dbraw/zinc/68/27/30/1372682730.db2.gz NCZLIKMRAKBUDT-UONOGXRCSA-N 0 0 326.308 3.066 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cccc1-n1cccn1 ZINC001124332272 1372692701 /nfs/dbraw/zinc/69/27/01/1372692701.db2.gz WEJRICLMNIOYJA-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nncc2ccccc21 ZINC001124332488 1372692707 /nfs/dbraw/zinc/69/27/07/1372692707.db2.gz AYEAXIGUSGECQR-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC001124397116 1372698301 /nfs/dbraw/zinc/69/83/01/1372698301.db2.gz WZMRCUXTMHCMQI-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])C1 ZINC001124518033 1372708356 /nfs/dbraw/zinc/70/83/56/1372708356.db2.gz VHAUJIDNQHBULE-OLZOCXBDSA-N 0 0 335.356 3.096 10 5 EGBERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Oc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001124598103 1372715045 /nfs/dbraw/zinc/71/50/45/1372715045.db2.gz TWHSRYGAMBBMQX-QGZVFWFLSA-N 0 0 340.335 3.310 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1-c1cccs1 ZINC001124718003 1372725964 /nfs/dbraw/zinc/72/59/64/1372725964.db2.gz NKFJGFLMAIDNBO-UHFFFAOYSA-N 0 0 342.380 3.467 10 5 EGBERN COc1cc(C(=O)NCc2ccc(Cl)s2)c([N+](=O)[O-])cc1F ZINC001124730286 1372726532 /nfs/dbraw/zinc/72/65/32/1372726532.db2.gz QFLAJNTZSVMDAJ-UHFFFAOYSA-N 0 0 344.751 3.387 10 5 EGBERN COC(=O)c1coc(/C=C\C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001124927866 1372740182 /nfs/dbraw/zinc/74/01/82/1372740182.db2.gz AGXFUBZDXMEZFH-JMEBYUIHSA-N 0 0 345.307 3.292 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Oc2cccc([N+](=O)[O-])c2C)c1 ZINC001125229056 1372761463 /nfs/dbraw/zinc/76/14/63/1372761463.db2.gz ZGXJFBAACWIHGS-INIZCTEOSA-N 0 0 331.324 3.205 10 5 EGBERN CC(C)(C)C1CC(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001125859451 1372875073 /nfs/dbraw/zinc/87/50/73/1372875073.db2.gz RNLNCZUNPPUDGI-UHFFFAOYSA-N 0 0 334.372 3.149 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC001126076060 1372927809 /nfs/dbraw/zinc/92/78/09/1372927809.db2.gz MLSJGOLSWBYFBD-LBPRGKRZSA-N 0 0 344.342 3.338 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCSc2ncccc21 ZINC001126168375 1372945714 /nfs/dbraw/zinc/94/57/14/1372945714.db2.gz HXEDUBOSTHITBU-UHFFFAOYSA-N 0 0 347.421 3.464 10 5 EGBERN COc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC001126172890 1372946045 /nfs/dbraw/zinc/94/60/45/1372946045.db2.gz MRWCDXLJYCNPTE-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c2n1 ZINC001126359083 1372959949 /nfs/dbraw/zinc/95/99/49/1372959949.db2.gz UNRPIYFLXQTOSS-UHFFFAOYSA-N 0 0 336.351 3.062 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)n1 ZINC001126581678 1372977738 /nfs/dbraw/zinc/97/77/38/1372977738.db2.gz RVSAFQYPRJOJRW-GFCCVEGCSA-N 0 0 340.383 3.031 10 5 EGBERN CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])c2cc(Cl)ccc21 ZINC001126728817 1373007775 /nfs/dbraw/zinc/00/77/75/1373007775.db2.gz YZIYBZPSPBVDGW-UHFFFAOYSA-N 0 0 349.749 3.484 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001126985217 1373063322 /nfs/dbraw/zinc/06/33/22/1373063322.db2.gz DBKFCUAMCWZWMM-ZDUSSCGKSA-N 0 0 327.384 3.448 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001127355753 1373118268 /nfs/dbraw/zinc/11/82/68/1373118268.db2.gz JCRVJUGUBZQFEE-UHFFFAOYSA-N 0 0 341.197 3.275 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2ccncc21 ZINC001127397709 1373123425 /nfs/dbraw/zinc/12/34/25/1373123425.db2.gz UPXGCVQTKXRRKN-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC[C@H](OC(=O)c1ccc2c(n1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001127711831 1373165869 /nfs/dbraw/zinc/16/58/69/1373165869.db2.gz SOYQXXAXEWCGNP-AWEZNQCLSA-N 0 0 344.323 3.069 10 5 EGBERN CC[C@@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC001127828337 1373187323 /nfs/dbraw/zinc/18/73/23/1373187323.db2.gz KHVLOKYSEIJVCZ-CXAGYDPISA-N 0 0 343.383 3.128 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001127914361 1373199566 /nfs/dbraw/zinc/19/95/66/1373199566.db2.gz LZAYVDCRBRYXBZ-VHRBIJSZSA-N 0 0 333.340 3.113 10 5 EGBERN Cc1cnc(COC(=O)/C=C\c2cccnc2C)c(C)c1[N+](=O)[O-] ZINC001128190751 1373232172 /nfs/dbraw/zinc/23/21/72/1373232172.db2.gz WHEVHHDRMCJLDM-SREVYHEPSA-N 0 0 327.340 3.067 10 5 EGBERN CNC(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC001128847484 1373315872 /nfs/dbraw/zinc/31/58/72/1373315872.db2.gz PHHWPUIADZBLPB-UHFFFAOYSA-N 0 0 348.746 3.252 10 5 EGBERN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C ZINC001129007401 1373334719 /nfs/dbraw/zinc/33/47/19/1373334719.db2.gz QYBBRKHJUFZOTF-CQSZACIVSA-N 0 0 336.388 3.311 10 5 EGBERN O=C(c1coc(C(F)F)c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215738 1373362034 /nfs/dbraw/zinc/36/20/34/1373362034.db2.gz FHKVHLVUKSLKBE-UHFFFAOYSA-N 0 0 326.230 3.467 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)O[C@H](C)c1ccc(N(C)C)cn1 ZINC001129466236 1373387819 /nfs/dbraw/zinc/38/78/19/1373387819.db2.gz BVJZOLXLLUDTIN-LLVKDONJSA-N 0 0 347.346 3.421 10 5 EGBERN COC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C)s1 ZINC001129602476 1373401490 /nfs/dbraw/zinc/40/14/90/1373401490.db2.gz RTIKJBKOFFYDQX-UHFFFAOYSA-N 0 0 326.355 3.065 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001129653025 1373408304 /nfs/dbraw/zinc/40/83/04/1373408304.db2.gz YEDMEPLJYRKQSO-GFCCVEGCSA-N 0 0 329.356 3.106 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001129817227 1373425906 /nfs/dbraw/zinc/42/59/06/1373425906.db2.gz VWBYWDQIWHNYPV-LBPRGKRZSA-N 0 0 342.351 3.432 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001130422246 1373531089 /nfs/dbraw/zinc/53/10/89/1373531089.db2.gz CRSDVHRMWRGORI-UHFFFAOYSA-N 0 0 332.743 3.413 10 5 EGBERN Cc1ccc(C(=O)N2CCOc3c(F)ccc(F)c32)cc1[N+](=O)[O-] ZINC001130565683 1373560176 /nfs/dbraw/zinc/56/01/76/1373560176.db2.gz SDDNAUWTMFNWGT-UHFFFAOYSA-N 0 0 334.278 3.221 10 5 EGBERN COc1c(C(=O)Nc2nsc3ccccc32)cccc1[N+](=O)[O-] ZINC001130564561 1373560330 /nfs/dbraw/zinc/56/03/30/1373560330.db2.gz KEVNCUNAKQJLJB-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1ccc(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1C ZINC001130939969 1373611918 /nfs/dbraw/zinc/61/19/18/1373611918.db2.gz HIDOLNODHIBBRG-UHFFFAOYSA-N 0 0 341.411 3.373 10 5 EGBERN Cc1ccc(OCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001130960225 1373616686 /nfs/dbraw/zinc/61/66/86/1373616686.db2.gz YDJWLJKQNBXALD-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN O=C(CSc1ccccc1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131048656 1373632289 /nfs/dbraw/zinc/63/22/89/1373632289.db2.gz HAYIXGCCSJJIBN-UHFFFAOYSA-N 0 0 334.309 3.201 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccncc21 ZINC001131051913 1373633493 /nfs/dbraw/zinc/63/34/93/1373633493.db2.gz QGKOJHBBJOEFBX-UHFFFAOYSA-N 0 0 339.263 3.270 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)n1 ZINC001131133639 1373648952 /nfs/dbraw/zinc/64/89/52/1373648952.db2.gz HIMUZFKUPGCYRM-KOMQPUFPSA-N 0 0 349.431 3.402 10 5 EGBERN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131250765 1373669403 /nfs/dbraw/zinc/66/94/03/1373669403.db2.gz HPSOKXXROXEXEQ-VIFPVBQESA-N 0 0 340.339 3.490 10 5 EGBERN O=C(/C=C/c1cncc(F)c1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131462848 1373703507 /nfs/dbraw/zinc/70/35/07/1373703507.db2.gz UYHIZZSQLWFOLA-DAFODLJHSA-N 0 0 338.298 3.329 10 5 EGBERN Cc1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1[N+](=O)[O-] ZINC001188488924 1388317019 /nfs/dbraw/zinc/31/70/19/1388317019.db2.gz UVBVDDUBQNKYIX-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN O=C(Oc1ccc2c(c1)CCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001131890944 1375028927 /nfs/dbraw/zinc/02/89/27/1375028927.db2.gz HWGXIPIMCGONHP-HOTGVXAUSA-N 0 0 325.320 3.239 10 5 EGBERN O=C(CSCC1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001188677831 1388359439 /nfs/dbraw/zinc/35/94/39/1388359439.db2.gz OIBNEHAKHDQSOV-UHFFFAOYSA-N 0 0 336.413 3.165 10 5 EGBERN O=C(OCc1coc(C2CC2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001132127135 1375159857 /nfs/dbraw/zinc/15/98/57/1375159857.db2.gz DSXPDDYCSMOCDO-UHFFFAOYSA-N 0 0 343.339 3.392 10 5 EGBERN Cc1cc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cs1 ZINC001188692543 1388362572 /nfs/dbraw/zinc/36/25/72/1388362572.db2.gz YVSKUVLKXCCIJV-UHFFFAOYSA-N 0 0 327.365 3.237 10 5 EGBERN O=C(Nc1ccns1)c1ccc([N+](=O)[O-])cc1Br ZINC001132327143 1375306250 /nfs/dbraw/zinc/30/62/50/1375306250.db2.gz YJMDCSJUHGHASS-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc3c2O[C@H](C)C3)cc1[N+](=O)[O-] ZINC001132419050 1375366384 /nfs/dbraw/zinc/36/63/84/1375366384.db2.gz VHLAMKTUVLQXSK-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN Cc1c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)oc2c1C(=O)CCC2 ZINC001132418971 1375367375 /nfs/dbraw/zinc/36/73/75/1375367375.db2.gz RAHKQOFCXFNRPY-UHFFFAOYSA-N 0 0 342.351 3.254 10 5 EGBERN CO[C@@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001132421632 1375371135 /nfs/dbraw/zinc/37/11/35/1375371135.db2.gz LCCKTLKDSKNEBN-MRXNPFEDSA-N 0 0 332.331 3.046 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC001132473471 1375413277 /nfs/dbraw/zinc/41/32/77/1375413277.db2.gz NBEGYGSFEPBJHH-UHFFFAOYSA-N 0 0 332.316 3.233 10 5 EGBERN C[C@@H]1Cc2cccc(F)c2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001132534345 1375445501 /nfs/dbraw/zinc/44/55/01/1375445501.db2.gz DTQYDFOSTAHQDL-GFCCVEGCSA-N 0 0 344.342 3.338 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1CC1CCC1 ZINC001132598724 1375481190 /nfs/dbraw/zinc/48/11/90/1375481190.db2.gz JBJYFMOAIQZKDF-UHFFFAOYSA-N 0 0 343.387 3.032 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132614782 1375485764 /nfs/dbraw/zinc/48/57/64/1375485764.db2.gz FYTPRWWIRSKKHU-UHFFFAOYSA-N 0 0 338.678 3.368 10 5 EGBERN CN(C)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC001132620215 1375487381 /nfs/dbraw/zinc/48/73/81/1375487381.db2.gz RNCLXPTXMAZYCA-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1c(C(=O)NCc2noc3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC001132717409 1375527303 /nfs/dbraw/zinc/52/73/03/1375527303.db2.gz HOVSVAVQKNGVKT-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN O=C(Nc1c2c(ccc1F)OCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001132825616 1375585312 /nfs/dbraw/zinc/58/53/12/1375585312.db2.gz PRPMMTLRBNMFBK-VXGBXAGGSA-N 0 0 344.298 3.205 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2-c2ccccc2)c1 ZINC001132837913 1375591964 /nfs/dbraw/zinc/59/19/64/1375591964.db2.gz UHDBMDVAXWVYMF-UHFFFAOYSA-N 0 0 349.346 3.340 10 5 EGBERN C[C@@H](OC(=O)CCc1nnc(C(F)F)o1)c1ccccc1[N+](=O)[O-] ZINC001132974821 1375688937 /nfs/dbraw/zinc/68/89/37/1375688937.db2.gz UVQCIFICOKTNDZ-MRVPVSSYSA-N 0 0 341.270 3.152 10 5 EGBERN Cn1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001133050464 1375743280 /nfs/dbraw/zinc/74/32/80/1375743280.db2.gz FAOICNXMIVWBCO-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN CC(C)c1nsc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC001133192403 1375834252 /nfs/dbraw/zinc/83/42/52/1375834252.db2.gz FCZLXVQKNCVYKO-UHFFFAOYSA-N 0 0 343.368 3.370 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001133202818 1375837556 /nfs/dbraw/zinc/83/75/56/1375837556.db2.gz LIPLEMLISGSZCR-AFAVFJNCSA-N 0 0 340.383 3.089 10 5 EGBERN CC1(C)CO[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC001133413132 1375994735 /nfs/dbraw/zinc/99/47/35/1375994735.db2.gz XDJAJULLCQUYHT-GFCCVEGCSA-N 0 0 334.397 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CCCCC1 ZINC001133605346 1376115832 /nfs/dbraw/zinc/11/58/32/1376115832.db2.gz FQURXQLBXNRJAE-UHFFFAOYSA-N 0 0 338.429 3.399 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001133706991 1376167227 /nfs/dbraw/zinc/16/72/27/1376167227.db2.gz YSSYVAHNDXHWPH-VIFPVBQESA-N 0 0 333.275 3.133 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc(CC(C)C)co2)cc1[N+](=O)[O-] ZINC001133921619 1376265761 /nfs/dbraw/zinc/26/57/61/1376265761.db2.gz FTMYGPXCRRXCIM-UHFFFAOYSA-N 0 0 333.344 3.432 10 5 EGBERN C[C@H]1COC[C@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001133934429 1376271343 /nfs/dbraw/zinc/27/13/43/1376271343.db2.gz KUSKOOSPLGUNSJ-BLLLJJGKSA-N 0 0 341.367 3.103 10 5 EGBERN CC(=O)c1cc(F)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001133970641 1376290961 /nfs/dbraw/zinc/29/09/61/1376290961.db2.gz CPIMKJYMERJRNU-UHFFFAOYSA-N 0 0 334.278 3.257 10 5 EGBERN CC(C)c1cncnc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001134076838 1376352421 /nfs/dbraw/zinc/35/24/21/1376352421.db2.gz GZUHNZLJBVXVHI-UHFFFAOYSA-N 0 0 332.385 3.239 10 5 EGBERN CCC(=O)N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC001134354605 1376491080 /nfs/dbraw/zinc/49/10/80/1376491080.db2.gz IWEMKIZSIZZCAX-UHFFFAOYSA-N 0 0 339.351 3.146 10 5 EGBERN COc1cc(C)ccc1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001134494490 1376568170 /nfs/dbraw/zinc/56/81/70/1376568170.db2.gz AIIYLMBHJTWANA-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN CCOc1nccc(C)c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001134501951 1376570953 /nfs/dbraw/zinc/57/09/53/1376570953.db2.gz RKMUIXOSZCYLCK-CYBMUJFWSA-N 0 0 343.383 3.230 10 5 EGBERN CC1(C)C(C)(C)C1(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001134787308 1376721036 /nfs/dbraw/zinc/72/10/36/1376721036.db2.gz XKCTYRASNNBXPS-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN CCOc1ccc(C(=O)Nc2nccc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001134924866 1376792320 /nfs/dbraw/zinc/79/23/20/1376792320.db2.gz GYWKVJPKWPGYCJ-UHFFFAOYSA-N 0 0 344.371 3.333 10 5 EGBERN Cc1c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC001134959801 1376811897 /nfs/dbraw/zinc/81/18/97/1376811897.db2.gz KVMIVFJRYWFSDR-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1ccc(-c2ccccc2F)nn1)c1ccccc1[N+](=O)[O-] ZINC001134966735 1376816565 /nfs/dbraw/zinc/81/65/65/1376816565.db2.gz JLGVWBVKGATCDE-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN CO[C@@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001189182218 1388476777 /nfs/dbraw/zinc/47/67/77/1388476777.db2.gz BMZYWPSLPIPVHQ-HNNXBMFYSA-N 0 0 347.371 3.007 10 5 EGBERN CCCN(CCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267309028 1377438646 /nfs/dbraw/zinc/43/86/46/1377438646.db2.gz DVBNXCSCZSZELW-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001137252298 1377504339 /nfs/dbraw/zinc/50/43/39/1377504339.db2.gz MQTLWINWQPCLQP-OAHLLOKOSA-N 0 0 326.352 3.061 10 5 EGBERN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001269819724 1377577330 /nfs/dbraw/zinc/57/73/30/1377577330.db2.gz KQNFPSPICSWKJI-QMMMGPOBSA-N 0 0 340.792 3.101 10 5 EGBERN CSc1ccc(C(=O)N[C@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001137869794 1377634490 /nfs/dbraw/zinc/63/44/90/1377634490.db2.gz FAXKYZGDUMGCEJ-ZDUSSCGKSA-N 0 0 342.376 3.374 10 5 EGBERN O=C(NN1CCCc2ccccc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138790642 1377785381 /nfs/dbraw/zinc/78/53/81/1377785381.db2.gz WRRXXGKRTBZECB-IAGOWNOFSA-N 0 0 337.379 3.182 10 5 EGBERN Cc1cc(Cl)c(C(=O)Oc2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC001139633878 1377923573 /nfs/dbraw/zinc/92/35/73/1377923573.db2.gz QURJOYOIOBYPNS-UHFFFAOYSA-N 0 0 346.726 3.270 10 5 EGBERN C[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001139880862 1377970755 /nfs/dbraw/zinc/97/07/55/1377970755.db2.gz WDGRPSVTPLUIOE-RYUDHWBXSA-N 0 0 328.372 3.151 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc2cc[nH]c2cn1 ZINC001277615533 1378237567 /nfs/dbraw/zinc/23/75/67/1378237567.db2.gz BIYKMEQEXVFZHD-UHFFFAOYSA-N 0 0 335.323 3.134 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC/C=C\c1cccnc1 ZINC001141578061 1378345870 /nfs/dbraw/zinc/34/58/70/1378345870.db2.gz DPIPCTNWAOFPAQ-HYXAFXHYSA-N 0 0 345.786 3.405 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001141708070 1378364643 /nfs/dbraw/zinc/36/46/43/1378364643.db2.gz SKEFIPLLTQFSTB-UHFFFAOYSA-N 0 0 327.340 3.442 10 5 EGBERN Cc1nc2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2s1 ZINC001141767212 1378372788 /nfs/dbraw/zinc/37/27/88/1378372788.db2.gz AVCODYYEJJXAEQ-UHFFFAOYSA-N 0 0 328.353 3.347 10 5 EGBERN Nc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1[N+](=O)[O-] ZINC001141767667 1378372793 /nfs/dbraw/zinc/37/27/93/1378372793.db2.gz OUZVKYOTQDBANR-VIFPVBQESA-N 0 0 345.380 3.012 10 5 EGBERN COc1ccc(C[C@@H](C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001141767457 1378372847 /nfs/dbraw/zinc/37/28/47/1378372847.db2.gz KZGWKTUDGICIGV-LLVKDONJSA-N 0 0 329.356 3.003 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001142870485 1378499845 /nfs/dbraw/zinc/49/98/45/1378499845.db2.gz XDHMKGMFVBRWRZ-UHFFFAOYSA-N 0 0 330.315 3.162 10 5 EGBERN CC(C)c1nnc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC001143273500 1378572463 /nfs/dbraw/zinc/57/24/63/1378572463.db2.gz BVFNCACWMFUKSC-UHFFFAOYSA-N 0 0 337.767 3.061 10 5 EGBERN Cc1ccnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)n1 ZINC001146331790 1378817935 /nfs/dbraw/zinc/81/79/35/1378817935.db2.gz GSCDCTRFFJUGEX-UHFFFAOYSA-N 0 0 349.350 3.195 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2ccc(O)cc2Cl)cc1[N+](=O)[O-] ZINC001147093231 1378967378 /nfs/dbraw/zinc/96/73/78/1378967378.db2.gz DOYCYWLTZSYPBH-UHFFFAOYSA-N 0 0 342.138 3.442 10 5 EGBERN Cc1cccc([C@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)c1C ZINC001147537769 1379038407 /nfs/dbraw/zinc/03/84/07/1379038407.db2.gz FUGBIDUXFFOVJD-OAHLLOKOSA-N 0 0 340.383 3.166 10 5 EGBERN CCc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001148793062 1379269616 /nfs/dbraw/zinc/26/96/16/1379269616.db2.gz KNDXYWXJBNSGKH-UHFFFAOYSA-N 0 0 341.411 3.447 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)ccc1N)c1ccc([N+](=O)[O-])cc1 ZINC001149274255 1379356939 /nfs/dbraw/zinc/35/69/39/1379356939.db2.gz VEGRMZMPJFHAQU-UHFFFAOYSA-N 0 0 333.775 3.496 10 5 EGBERN CC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001150944163 1379637486 /nfs/dbraw/zinc/63/74/86/1379637486.db2.gz BDJGYTREKZBNLX-FZMZJTMJSA-N 0 0 328.372 3.293 10 5 EGBERN COc1ccc(NC(=O)/C=C\c2ccc(C=O)cc2)cc1[N+](=O)[O-] ZINC001152086069 1379860545 /nfs/dbraw/zinc/86/05/45/1379860545.db2.gz WQCUYXRBNRWGKK-TWGQIWQCSA-N 0 0 326.308 3.068 10 5 EGBERN O=C(c1ccc2ccncc2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154331821 1380257474 /nfs/dbraw/zinc/25/74/74/1380257474.db2.gz SMXRSEVQUCVMND-UHFFFAOYSA-N 0 0 349.346 3.046 10 5 EGBERN CCC(CC)CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845022 1380364176 /nfs/dbraw/zinc/36/41/76/1380364176.db2.gz IRCCUIFBYXXKIM-UHFFFAOYSA-N 0 0 332.404 3.346 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NN1CCCc2ccccc21 ZINC001155245676 1380428828 /nfs/dbraw/zinc/42/88/28/1380428828.db2.gz LJIRDZMGYMEMMM-UHFFFAOYSA-N 0 0 343.358 3.151 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2ncn(C)c2c1 ZINC001156786315 1380634857 /nfs/dbraw/zinc/63/48/57/1380634857.db2.gz FMJJRAPKRSPFTO-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)sc1C ZINC001287567979 1381266074 /nfs/dbraw/zinc/26/60/74/1381266074.db2.gz PHJIZSYERRCUDF-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC)cc1F ZINC001287796750 1381377421 /nfs/dbraw/zinc/37/74/21/1381377421.db2.gz OKSOTLMXVFZNCG-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc2n1CCCC2 ZINC001158756911 1381385112 /nfs/dbraw/zinc/38/51/12/1381385112.db2.gz UQHYCYLKFCAPJM-UHFFFAOYSA-N 0 0 343.387 3.200 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC001158973708 1381491850 /nfs/dbraw/zinc/49/18/50/1381491850.db2.gz QSFSUJRITOYPIG-DOTOQJQBSA-N 0 0 336.432 3.176 10 5 EGBERN O=C(NC1CC(=O)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001159166116 1381696291 /nfs/dbraw/zinc/69/62/91/1381696291.db2.gz IOPXIQPVLZGXMH-UHFFFAOYSA-N 0 0 342.376 3.207 10 5 EGBERN C[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC001288748992 1381924361 /nfs/dbraw/zinc/92/43/61/1381924361.db2.gz GOUMCFFHAYELJW-LLVKDONJSA-N 0 0 340.339 3.079 10 5 EGBERN COc1ccc([S@](C)(=O)=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001289029716 1381974570 /nfs/dbraw/zinc/97/45/70/1381974570.db2.gz ZRAWGNHFEOMYMI-DEOSSOPVSA-N 0 0 348.380 3.209 10 5 EGBERN C[S@](=O)(=NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289708268 1382008793 /nfs/dbraw/zinc/00/87/93/1382008793.db2.gz TYZWXARCWJMJHE-CNGNEYMMSA-N 0 0 348.355 3.431 10 5 EGBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001160382657 1382089128 /nfs/dbraw/zinc/08/91/28/1382089128.db2.gz ZTUYVUGRMCICMF-UHFFFAOYSA-N 0 0 338.279 3.175 10 5 EGBERN C[NH+](C)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001160522218 1382130441 /nfs/dbraw/zinc/13/04/41/1382130441.db2.gz PEQNYPPFZJGJBO-UHFFFAOYSA-N 0 0 349.774 3.268 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH]c(=O)oc32)c1C ZINC001160718785 1382178276 /nfs/dbraw/zinc/17/82/76/1382178276.db2.gz ZOOBUDANYILOJW-UHFFFAOYSA-N 0 0 327.296 3.311 10 5 EGBERN C[C@@H](c1ccccn1)N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001292392488 1382188484 /nfs/dbraw/zinc/18/84/84/1382188484.db2.gz UVHHLHUXXWRPRG-VIFPVBQESA-N 0 0 334.763 3.059 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N(C)C)c1 ZINC001292416519 1382192521 /nfs/dbraw/zinc/19/25/21/1382192521.db2.gz BZGXTLBIUGWFOV-UHFFFAOYSA-N 0 0 345.424 3.313 10 5 EGBERN CC(C)(CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001292714738 1382209699 /nfs/dbraw/zinc/20/96/99/1382209699.db2.gz BTDJIUCELWOKIQ-UHFFFAOYSA-N 0 0 327.384 3.318 10 5 EGBERN O=C(Nc1nccc2ccncc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161280524 1382359335 /nfs/dbraw/zinc/35/93/35/1382359335.db2.gz PBSOKZRXQGIPGT-GJZGRUSLSA-N 0 0 334.335 3.280 10 5 EGBERN C[C@H](Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])c1ccccn1 ZINC001161941378 1382563029 /nfs/dbraw/zinc/56/30/29/1382563029.db2.gz IFMJELGNFKWBOC-JTQLQIEISA-N 0 0 339.311 3.041 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1SCCN1CCOCC1 ZINC001162062217 1382616299 /nfs/dbraw/zinc/61/62/99/1382616299.db2.gz MLZYORGIRXPJCJ-UHFFFAOYSA-N 0 0 337.228 3.326 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCc2nc(-c3ccccc3)c[nH]2)cc1F ZINC001162243546 1382666113 /nfs/dbraw/zinc/66/61/13/1382666113.db2.gz BVYWUKDFPRMHGZ-UHFFFAOYSA-N 0 0 342.330 3.228 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCCOc1ccccc1-c1ccccc1 ZINC001162286293 1382721597 /nfs/dbraw/zinc/72/15/97/1382721597.db2.gz UERNTRCMWDGVAT-UHFFFAOYSA-N 0 0 338.367 3.486 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3cccc(CO)c3)c2c1 ZINC001162466635 1382765391 /nfs/dbraw/zinc/76/53/91/1382765391.db2.gz RSAWILJOMQQLMH-UHFFFAOYSA-N 0 0 344.758 3.296 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C1CCOCC1 ZINC001295691726 1382779182 /nfs/dbraw/zinc/77/91/82/1382779182.db2.gz LHZJRMZEDPRDJH-OAHLLOKOSA-N 0 0 336.363 3.074 10 5 EGBERN CC(C)Cn1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cn1 ZINC001162644421 1382819606 /nfs/dbraw/zinc/81/96/06/1382819606.db2.gz LZJVKLWDHUOJIR-UHFFFAOYSA-N 0 0 343.387 3.083 10 5 EGBERN COc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001295831753 1382840082 /nfs/dbraw/zinc/84/00/82/1382840082.db2.gz BGRIWKJWNYJJNV-KGLIPLIRSA-N 0 0 328.324 3.051 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CCCO)c1 ZINC001296236578 1382931042 /nfs/dbraw/zinc/93/10/42/1382931042.db2.gz HHALQSXCFSJCHP-UHFFFAOYSA-N 0 0 346.408 3.494 10 5 EGBERN COC(=O)Cc1ccc(N2CCc3c2cccc3F)c([N+](=O)[O-])c1 ZINC001163005404 1382945319 /nfs/dbraw/zinc/94/53/19/1382945319.db2.gz LUIIJEPEQYXORR-UHFFFAOYSA-N 0 0 330.315 3.144 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@H](O)c2ccc(Cl)cc2)cc1F ZINC001163397095 1383042304 /nfs/dbraw/zinc/04/23/04/1383042304.db2.gz JMBOQIUYVLIMKI-HNNXBMFYSA-N 0 0 340.738 3.025 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cnc(Cl)cn2)c(Br)c1 ZINC001163449627 1383054537 /nfs/dbraw/zinc/05/45/37/1383054537.db2.gz FINPEMQJBMBZDO-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN Cc1cc(NC2CN(C(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001163480145 1383060864 /nfs/dbraw/zinc/06/08/64/1383060864.db2.gz BXPRYUYZESRYPR-UHFFFAOYSA-N 0 0 341.367 3.336 10 5 EGBERN CC(=O)c1ccc(N[C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001163754678 1383118231 /nfs/dbraw/zinc/11/82/31/1383118231.db2.gz RCJVXBRISAMDLM-AWEZNQCLSA-N 0 0 330.315 3.352 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(Oc3ccc(OC)nc3)c2c1 ZINC001163797137 1383123358 /nfs/dbraw/zinc/12/33/58/1383123358.db2.gz NTZFPTQKUCGWIC-UHFFFAOYSA-N 0 0 327.296 3.348 10 5 EGBERN Cc1cc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164103584 1383156759 /nfs/dbraw/zinc/15/67/59/1383156759.db2.gz SILDWPQUUJTBJA-BFVZDQMLSA-N 0 0 346.305 3.138 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(Cc3ccccc3F)no2)cc1 ZINC001164114405 1383157682 /nfs/dbraw/zinc/15/76/82/1383157682.db2.gz IIZSGJXTCHVGTN-UHFFFAOYSA-N 0 0 328.303 3.320 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001328738266 1388835629 /nfs/dbraw/zinc/83/56/29/1388835629.db2.gz YRGOCSBIKZTDJD-UHFFFAOYSA-N 0 0 331.246 3.053 10 5 EGBERN COC(=O)CC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001164287401 1383174672 /nfs/dbraw/zinc/17/46/72/1383174672.db2.gz AJXLVKMVGWHBBQ-UHFFFAOYSA-N 0 0 328.315 3.408 10 5 EGBERN COC(=O)c1cc(COc2cc(C=O)ccc2[N+](=O)[O-])ccc1C ZINC001165593960 1383313938 /nfs/dbraw/zinc/31/39/38/1383313938.db2.gz RJUTXYZWFJJBHP-UHFFFAOYSA-N 0 0 329.308 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3cnc4ccccc4n3)c2)cc1 ZINC001165649556 1383320107 /nfs/dbraw/zinc/32/01/07/1383320107.db2.gz LVIAWZQLKPEVJH-UHFFFAOYSA-N 0 0 331.335 3.450 10 5 EGBERN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001298733962 1383425730 /nfs/dbraw/zinc/42/57/30/1383425730.db2.gz ILGVAPHRKZBIIS-KGLIPLIRSA-N 0 0 335.404 3.223 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC001328775813 1388854762 /nfs/dbraw/zinc/85/47/62/1388854762.db2.gz NMJUFIRIVYJHCH-PPKCKEKNSA-N 0 0 330.718 3.412 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001300116317 1383644799 /nfs/dbraw/zinc/64/47/99/1383644799.db2.gz HJIRLYUSRBFFCT-DZGCQCFKSA-N 0 0 340.807 3.255 10 5 EGBERN CC1(C)C=Cc2cccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)c2O1 ZINC001301728846 1383727498 /nfs/dbraw/zinc/72/74/98/1383727498.db2.gz AADMSVVECGGWSB-UHFFFAOYSA-N 0 0 340.339 3.009 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1-c1ccccc1F ZINC001301728617 1383727958 /nfs/dbraw/zinc/72/79/58/1383727958.db2.gz PWBCAJQNSGAQEA-UHFFFAOYSA-N 0 0 329.291 3.013 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)CC1CCCCC1 ZINC001302930150 1383774140 /nfs/dbraw/zinc/77/41/40/1383774140.db2.gz SWCMQMCNZAYIMC-DHZHZOJOSA-N 0 0 330.384 3.264 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001303377369 1383796042 /nfs/dbraw/zinc/79/60/42/1383796042.db2.gz DQIIWIFLMIOHRU-CVEARBPZSA-N 0 0 348.786 3.490 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(Cl)(Cl)C1 ZINC001304043050 1383824111 /nfs/dbraw/zinc/82/41/11/1383824111.db2.gz FELUUHDTSUWIFT-UHFFFAOYSA-N 0 0 335.212 3.383 10 5 EGBERN O=C(Nc1nc2ccc3scnc3c2s1)c1ccc([N+](=O)[O-])[nH]1 ZINC001304415803 1383846066 /nfs/dbraw/zinc/84/60/66/1383846066.db2.gz PXJDBGIXTUMQQO-UHFFFAOYSA-N 0 0 345.365 3.395 10 5 EGBERN CCC[C@](C)(NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001305290821 1383859739 /nfs/dbraw/zinc/85/97/39/1383859739.db2.gz AXEHFYFPLDPPDB-MJGOQNOKSA-N 0 0 342.395 3.460 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cc(F)ccc1N(C)C ZINC001305984893 1383866237 /nfs/dbraw/zinc/86/62/37/1383866237.db2.gz NHDZPBSJTJVIEY-JTQLQIEISA-N 0 0 349.337 3.430 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)c2ccccc2)c1 ZINC001306931680 1383922290 /nfs/dbraw/zinc/92/22/90/1383922290.db2.gz YXSNMNOVHSBNSB-CYBMUJFWSA-N 0 0 343.383 3.318 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)CC(C)(C)C)cc1C ZINC001306969749 1383928018 /nfs/dbraw/zinc/92/80/18/1383928018.db2.gz LNYHCMHTNKBXTC-LBPRGKRZSA-N 0 0 338.404 3.289 10 5 EGBERN NC(=O)c1cc(NC[C@H]2SCCc3ccccc32)ccc1[N+](=O)[O-] ZINC001306981054 1383929085 /nfs/dbraw/zinc/92/90/85/1383929085.db2.gz BRSXBVZXORBVJL-MRXNPFEDSA-N 0 0 343.408 3.136 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccccc2F)c1 ZINC001307137317 1383943902 /nfs/dbraw/zinc/94/39/02/1383943902.db2.gz IDMUZUNHSCRHAZ-GXTWGEPZSA-N 0 0 330.315 3.489 10 5 EGBERN O=C(OCc1ccccc1)N1CC(Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC001307140648 1383944334 /nfs/dbraw/zinc/94/43/34/1383944334.db2.gz RKIYJMUSCGCGIL-UHFFFAOYSA-N 0 0 345.330 3.167 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001307144406 1383944868 /nfs/dbraw/zinc/94/48/68/1383944868.db2.gz ZCHANHPQUQFDTA-GFCCVEGCSA-N 0 0 348.834 3.483 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccc3c(c2)OC(F)(F)O3)nc2ccccn21 ZINC001307149197 1383945779 /nfs/dbraw/zinc/94/57/79/1383945779.db2.gz BMECIRREMONWNN-UHFFFAOYSA-N 0 0 348.265 3.176 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cccc1C(F)(F)F ZINC001307185768 1383952423 /nfs/dbraw/zinc/95/24/23/1383952423.db2.gz MISZOTUUJILENW-UXBVWIGBSA-N 0 0 328.290 3.449 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CN(c2sccc2[N+](=O)[O-])CC1(C)C ZINC001307208134 1383956699 /nfs/dbraw/zinc/95/66/99/1383956699.db2.gz FCPWXXGUZQZBSY-LLVKDONJSA-N 0 0 341.433 3.396 10 5 EGBERN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1=O ZINC001307215699 1383958898 /nfs/dbraw/zinc/95/88/98/1383958898.db2.gz DMCXNGLPQOBORX-CQSZACIVSA-N 0 0 340.383 3.080 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(C)CCCCO1 ZINC001307221552 1383959209 /nfs/dbraw/zinc/95/92/09/1383959209.db2.gz CPKQPVXCICAIKS-HNNXBMFYSA-N 0 0 342.779 3.406 10 5 EGBERN CC(C)(C)OC(=O)NC1(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307221574 1383959315 /nfs/dbraw/zinc/95/93/15/1383959315.db2.gz YSPBQKYAQUAXTB-UHFFFAOYSA-N 0 0 325.340 3.203 10 5 EGBERN O=c1[nH]ccc(N[C@@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001307225841 1383960290 /nfs/dbraw/zinc/96/02/90/1383960290.db2.gz OGXLJIJCQFEXTR-INIZCTEOSA-N 0 0 336.351 3.486 10 5 EGBERN O=c1[nH]c2ccccc2cc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307233340 1383962076 /nfs/dbraw/zinc/96/20/76/1383962076.db2.gz CGCUINAYIOKWMA-UHFFFAOYSA-N 0 0 335.323 3.337 10 5 EGBERN COC(=O)c1nn(CCCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001307388128 1383981020 /nfs/dbraw/zinc/98/10/20/1383981020.db2.gz XWXQNKMUDCKKJT-UHFFFAOYSA-N 0 0 339.351 3.364 10 5 EGBERN O=C1O[C@@H](CN2CCc3c2cccc3[N+](=O)[O-])CN1C1CCCCC1 ZINC001168894509 1384050121 /nfs/dbraw/zinc/05/01/21/1384050121.db2.gz RWSFTOKTNPCQIQ-AWEZNQCLSA-N 0 0 345.399 3.111 10 5 EGBERN CCOc1cc(CN2CCO[C@](C)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC001308019177 1384075031 /nfs/dbraw/zinc/07/50/31/1384075031.db2.gz YHMINVVRDALBDR-AWEZNQCLSA-N 0 0 348.321 3.147 10 5 EGBERN CCc1ccc2c(c1)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC001308174068 1384105765 /nfs/dbraw/zinc/10/57/65/1384105765.db2.gz FZVWHFARHZFPDT-UHFFFAOYSA-N 0 0 339.395 3.154 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001312346933 1384341695 /nfs/dbraw/zinc/34/16/95/1384341695.db2.gz BDKLBLLRYPSEOA-JKSUJKDBSA-N 0 0 349.431 3.296 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001312433739 1384347745 /nfs/dbraw/zinc/34/77/45/1384347745.db2.gz WCOYLEHVYBCMHV-HYVNUMGLSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1ccc(Cl)cc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001171449369 1384527272 /nfs/dbraw/zinc/52/72/72/1384527272.db2.gz DFUQEYBRQMFYLA-QGZVFWFLSA-N 0 0 348.786 3.194 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001335769561 1388928664 /nfs/dbraw/zinc/92/86/64/1388928664.db2.gz AZIJDXUNHAVPAJ-MSOLQXFVSA-N 0 0 340.379 3.241 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329019349 1388933072 /nfs/dbraw/zinc/93/30/72/1388933072.db2.gz YQYQVNWDTKHHJU-UHFFFAOYSA-N 0 0 348.399 3.339 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001174875658 1385163365 /nfs/dbraw/zinc/16/33/65/1385163365.db2.gz XSXHWMURQCUIJL-QGZVFWFLSA-N 0 0 338.379 3.430 10 5 EGBERN CON(Cc1ccc(C)o1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001176311995 1385547802 /nfs/dbraw/zinc/54/78/02/1385547802.db2.gz QGUAWXKCUXESDG-CYBMUJFWSA-N 0 0 347.371 3.195 10 5 EGBERN Cc1cccc(F)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001319224255 1386013156 /nfs/dbraw/zinc/01/31/56/1386013156.db2.gz HBTVWRZYZMSREW-UHFFFAOYSA-N 0 0 347.298 3.266 10 5 EGBERN C[C@@H](CNC(=O)c1c(F)ccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC001179400307 1386475240 /nfs/dbraw/zinc/47/52/40/1386475240.db2.gz YJVGYOOYWLIZRH-VIFPVBQESA-N 0 0 337.738 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](C(F)F)C2)c(Br)c1 ZINC001320413316 1386602544 /nfs/dbraw/zinc/60/25/44/1386602544.db2.gz XMAYNVZHSYHPRO-SECBINFHSA-N 0 0 335.148 3.444 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(Br)o2)c(N)c1[N+](=O)[O-] ZINC001179874975 1386614197 /nfs/dbraw/zinc/61/41/97/1386614197.db2.gz JMARUFQWCUFZTF-UHFFFAOYSA-N 0 0 340.133 3.093 10 5 EGBERN CC(C)=C(C)CC(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001321190558 1386836119 /nfs/dbraw/zinc/83/61/19/1386836119.db2.gz VMGCPYBZFIDHDA-SNAWJCMRSA-N 0 0 337.445 3.165 10 5 EGBERN C[C@@H](Oc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001322341985 1387164215 /nfs/dbraw/zinc/16/42/15/1387164215.db2.gz UPBBLGKPMMIJBP-SECBINFHSA-N 0 0 330.275 3.319 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001336939238 1389215889 /nfs/dbraw/zinc/21/58/89/1389215889.db2.gz GWCHMPVXJYLCJT-CYBMUJFWSA-N 0 0 345.786 3.187 10 5 EGBERN CS[C@H]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001329773159 1389223654 /nfs/dbraw/zinc/22/36/54/1389223654.db2.gz KRYCSIUCSAFPFP-JQWIXIFHSA-N 0 0 333.413 3.432 10 5 EGBERN COC(=O)c1cc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(C)c1[N+](=O)[O-] ZINC001330686256 1389497442 /nfs/dbraw/zinc/49/74/42/1389497442.db2.gz WWHZNNCQRIJPJE-YHPBZONMSA-N 0 0 326.299 3.145 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001331194846 1389650765 /nfs/dbraw/zinc/65/07/65/1389650765.db2.gz FJYZFYMCPHOBLP-KWCYVHTRSA-N 0 0 338.354 3.422 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001339097731 1389897784 /nfs/dbraw/zinc/89/77/84/1389897784.db2.gz LKMJOXBGSYQJSJ-NOZJJQNGSA-N 0 0 339.189 3.442 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1csc(C(F)(F)F)c1 ZINC001343869754 1390741265 /nfs/dbraw/zinc/74/12/65/1390741265.db2.gz PMPMIBFNAFQGSY-UHFFFAOYSA-N 0 0 334.275 3.371 10 5 EGBERN Cc1cc(NC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001344875633 1390821002 /nfs/dbraw/zinc/82/10/02/1390821002.db2.gz MQKWONADCNIKOP-BBRMVZONSA-N 0 0 333.388 3.087 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC001344998414 1390829487 /nfs/dbraw/zinc/82/94/87/1390829487.db2.gz HMYNHKZMPXCIHP-CQSZACIVSA-N 0 0 332.356 3.181 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC001345095352 1390836705 /nfs/dbraw/zinc/83/67/05/1390836705.db2.gz GLYAPXXGPNVIKT-NSHDSACASA-N 0 0 325.340 3.207 10 5 EGBERN Cc1cc(NC(=O)NC[C@H]2CCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001345488713 1390862090 /nfs/dbraw/zinc/86/20/90/1390862090.db2.gz KMCXLUVGSZXZFN-CYBMUJFWSA-N 0 0 333.388 3.232 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCOC2(CCOCC2)C1 ZINC001345630697 1390870267 /nfs/dbraw/zinc/87/02/67/1390870267.db2.gz BNMMKWKQRQAVMJ-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN O=C(OC[C@@]12CCC[C@@H]1OCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001345639127 1390870834 /nfs/dbraw/zinc/87/08/34/1390870834.db2.gz SGSVKVKWJPAIEY-DFGXFYAUSA-N 0 0 331.368 3.201 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])O[C@H]1CCCc2nccnc21 ZINC001345819680 1390886833 /nfs/dbraw/zinc/88/68/33/1390886833.db2.gz GRILNUHBNDVTLK-HNNXBMFYSA-N 0 0 345.330 3.077 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001346196415 1390914435 /nfs/dbraw/zinc/91/44/35/1390914435.db2.gz FBGIFDOLBPMBLE-GXFFZTMASA-N 0 0 327.764 3.147 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1ccn(C(F)F)n1 ZINC001346556672 1390954589 /nfs/dbraw/zinc/95/45/89/1390954589.db2.gz GCEVFYDVXOLZAJ-UHFFFAOYSA-N 0 0 343.261 3.002 10 5 EGBERN CNc1ccc(C(=O)OC[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001346763637 1390978004 /nfs/dbraw/zinc/97/80/04/1390978004.db2.gz KVKWYJKDONPMHH-LBPRGKRZSA-N 0 0 334.372 3.143 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC001347815555 1391128705 /nfs/dbraw/zinc/12/87/05/1391128705.db2.gz BIWHRVWCZRYKRR-PPKCKEKNSA-N 0 0 330.718 3.412 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001347835975 1391132574 /nfs/dbraw/zinc/13/25/74/1391132574.db2.gz ZEUHMJWXPLPHFV-FKTZTGRPSA-N 0 0 330.718 3.412 10 5 EGBERN COc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001348216816 1391186939 /nfs/dbraw/zinc/18/69/39/1391186939.db2.gz HXCFEPOLTYDSEO-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN O=C(Nc1nccs1)c1c(Br)cccc1[N+](=O)[O-] ZINC001348317984 1391205605 /nfs/dbraw/zinc/20/56/05/1391205605.db2.gz GOMCMSWEZYOXMP-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C2OCCO2)cc1 ZINC001348439755 1391220026 /nfs/dbraw/zinc/22/00/26/1391220026.db2.gz XCWLTDDGHCPJJC-UHFFFAOYSA-N 0 0 332.287 3.032 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001348467085 1391223860 /nfs/dbraw/zinc/22/38/60/1391223860.db2.gz AVYLLRZUAUYZRR-OAHLLOKOSA-N 0 0 334.303 3.069 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1 ZINC001348468063 1391223868 /nfs/dbraw/zinc/22/38/68/1391223868.db2.gz WSNCMGGASUIEOO-UHFFFAOYSA-N 0 0 326.287 3.172 10 5 EGBERN O=C(NC1CCCCCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001348570126 1391239991 /nfs/dbraw/zinc/23/99/91/1391239991.db2.gz BZOIYBCWJPENCV-KRWDZBQOSA-N 0 0 345.399 3.317 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCCC12CCCCCC2 ZINC001349307719 1391319681 /nfs/dbraw/zinc/31/96/81/1391319681.db2.gz TUYGRYDIZBZIMH-UHFFFAOYSA-N 0 0 334.420 3.205 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(c1)OCO2 ZINC001349794884 1391368238 /nfs/dbraw/zinc/36/82/38/1391368238.db2.gz WYWGSFQYJJKJFK-UHFFFAOYSA-N 0 0 333.321 3.265 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001349961232 1391391737 /nfs/dbraw/zinc/39/17/37/1391391737.db2.gz LSZIBTIGVXFNFF-GFCCVEGCSA-N 0 0 339.351 3.358 10 5 EGBERN COc1cc(C(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1F ZINC001350043790 1391401899 /nfs/dbraw/zinc/40/18/99/1391401899.db2.gz MYEGXNBVYPBYKD-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@H](C)C(F)F)cc1[N+](=O)[O-] ZINC001350309655 1391444824 /nfs/dbraw/zinc/44/48/24/1391444824.db2.gz LEZOSWJPPPIFEB-ZCFIWIBFSA-N 0 0 337.120 3.049 10 5 EGBERN C/C(=C/C(=O)NC1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001350308918 1391445107 /nfs/dbraw/zinc/44/51/07/1391445107.db2.gz BATOWSPUNJCZRH-RAXLEYEMSA-N 0 0 330.384 3.074 10 5 EGBERN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001350450831 1391466399 /nfs/dbraw/zinc/46/63/99/1391466399.db2.gz KRIHYBMZMOVYAS-UHFFFAOYSA-N 0 0 349.293 3.284 10 5 EGBERN COc1ccc(NC(=O)[C@@H](OC)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001350451275 1391466526 /nfs/dbraw/zinc/46/65/26/1391466526.db2.gz SGQAZKOUWZXKLM-HNNXBMFYSA-N 0 0 334.303 3.069 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1COCC2)c1cccc([N+](=O)[O-])c1 ZINC001350553107 1391479960 /nfs/dbraw/zinc/47/99/60/1391479960.db2.gz KZIJYBQINIXHCV-LBPRGKRZSA-N 0 0 326.352 3.159 10 5 EGBERN COc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001351296146 1391623014 /nfs/dbraw/zinc/62/30/14/1391623014.db2.gz HKDWVTQOELJSDI-UHFFFAOYSA-N 0 0 346.408 3.298 10 5 EGBERN Cc1c(NC(=O)c2ccc(-c3cnn(C)c3)o2)cccc1[N+](=O)[O-] ZINC001351327867 1391627453 /nfs/dbraw/zinc/62/74/53/1391627453.db2.gz MKNJDHZIWONJMC-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001351330381 1391627605 /nfs/dbraw/zinc/62/76/05/1391627605.db2.gz XIAHSZPTPQUBGI-QWHCGFSZSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)n1 ZINC001351446113 1391640077 /nfs/dbraw/zinc/64/00/77/1391640077.db2.gz JSVCVJPZAHMWLN-MRVPVSSYSA-N 0 0 344.298 3.346 10 5 EGBERN Cc1cccnc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001352067410 1391754934 /nfs/dbraw/zinc/75/49/34/1391754934.db2.gz XOVWXWNJYDAWNA-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1ccn2cnc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)c2c1 ZINC001352372459 1391789623 /nfs/dbraw/zinc/78/96/23/1391789623.db2.gz XUYCTKABBUSATG-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN Cc1c(NC(=O)c2c(Cl)nn(C)c2Cl)cccc1[N+](=O)[O-] ZINC001352649227 1391828841 /nfs/dbraw/zinc/82/88/41/1391828841.db2.gz UIHHDQCFFFNYLX-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001352594012 1391819219 /nfs/dbraw/zinc/81/92/19/1391819219.db2.gz VVIMCCGYSJVDAD-SGMGOOAPSA-N 0 0 346.383 3.412 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ccc(F)cc2)c1 ZINC001352634453 1391826941 /nfs/dbraw/zinc/82/69/41/1391826941.db2.gz JLRINGHTVXSZOQ-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001352762932 1391844823 /nfs/dbraw/zinc/84/48/23/1391844823.db2.gz IXFLKCJTTWWIKP-UHFFFAOYSA-N 0 0 344.323 3.439 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC001352764989 1391844845 /nfs/dbraw/zinc/84/48/45/1391844845.db2.gz VWRYPTAJYVIJGF-GOSISDBHSA-N 0 0 349.383 3.396 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ncc2c(F)cccn21 ZINC001353091000 1391930617 /nfs/dbraw/zinc/93/06/17/1391930617.db2.gz UHRKPSQRELQGLJ-UHFFFAOYSA-N 0 0 328.303 3.251 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001353186148 1391953654 /nfs/dbraw/zinc/95/36/54/1391953654.db2.gz UZHZFWMECXWBTG-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001353295029 1391984768 /nfs/dbraw/zinc/98/47/68/1391984768.db2.gz MFEKPXGOJCONGJ-DLBZAZTESA-N 0 0 332.400 3.088 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccnc(-n2cccc2)c1 ZINC001353337196 1391991995 /nfs/dbraw/zinc/99/19/95/1391991995.db2.gz KORCYIOFZUGZCY-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN CCOc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001353461858 1392016027 /nfs/dbraw/zinc/01/60/27/1392016027.db2.gz RUBPVHPVGDZMKY-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001353847584 1392101899 /nfs/dbraw/zinc/10/18/99/1392101899.db2.gz NJDHYDRQXUYASF-UHFFFAOYSA-N 0 0 346.364 3.356 10 5 EGBERN CC[C@H](CC(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001354169672 1392124316 /nfs/dbraw/zinc/12/43/16/1392124316.db2.gz MHRCMEXIFLGMKG-OAHLLOKOSA-N 0 0 333.432 3.316 10 5 EGBERN O=C([C@H]1Cc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001354388823 1392141571 /nfs/dbraw/zinc/14/15/71/1392141571.db2.gz MRDVIGUMZFMBQZ-HNNXBMFYSA-N 0 0 328.755 3.477 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001354623766 1392157147 /nfs/dbraw/zinc/15/71/47/1392157147.db2.gz KFNBBSWHBYTHFB-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CCNC(=O)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001354783864 1392168691 /nfs/dbraw/zinc/16/86/91/1392168691.db2.gz FTYHCAIZDCSNMZ-UHFFFAOYSA-N 0 0 345.330 3.044 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354839851 1392171921 /nfs/dbraw/zinc/17/19/21/1392171921.db2.gz FLPLYUBREXEWTD-UHFFFAOYSA-N 0 0 345.286 3.107 10 5 EGBERN Cc1c(OC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)cccc1[N+](=O)[O-] ZINC001354884730 1392175280 /nfs/dbraw/zinc/17/52/80/1392175280.db2.gz ZIGIDLUGJDSXFF-AWEZNQCLSA-N 0 0 340.335 3.074 10 5 EGBERN CCC1(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001480928586 1393025893 /nfs/dbraw/zinc/02/58/93/1393025893.db2.gz KCFNSCZZJLPMBF-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN C/C(=C\C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001481161681 1393138722 /nfs/dbraw/zinc/13/87/22/1393138722.db2.gz SXSRTVIUBVHRCI-WYMLVPIESA-N 0 0 343.427 3.032 10 5 EGBERN CC/C(C)=C\C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481168192 1393140543 /nfs/dbraw/zinc/14/05/43/1393140543.db2.gz NWXDHVVDQVVBRM-OWBHPGMISA-N 0 0 331.416 3.032 10 5 EGBERN CC(C)(NC(=O)NC[C@H]1CCCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC001687785361 1396492861 /nfs/dbraw/zinc/49/28/61/1396492861.db2.gz BMHGTLYLPHZUTI-OAHLLOKOSA-N 0 0 349.431 3.477 10 5 EGBERN CCC(CC)CC(=O)NCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001690129811 1404323498 /nfs/dbraw/zinc/32/34/98/1404323498.db2.gz NICUYEXJWJFDSG-UHFFFAOYSA-N 0 0 325.384 3.113 10 5 EGBERN Cc1ccc(C)c(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001690991127 1404909000 /nfs/dbraw/zinc/90/90/00/1404909000.db2.gz NYJVEYXDXKCOIG-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CCCn1c(CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001695348686 1406091953 /nfs/dbraw/zinc/09/19/53/1406091953.db2.gz QZEKYXKCSNORJH-UHFFFAOYSA-N 0 0 329.404 3.328 10 5 EGBERN CCN(CCCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001713011276 1417565458 /nfs/dbraw/zinc/56/54/58/1417565458.db2.gz VPAWFCVKWUVYAX-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CN(CCNC(=O)CCC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714531820 1419258455 /nfs/dbraw/zinc/25/84/55/1419258455.db2.gz RQTZPKZBGLWVQF-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CC(C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001714545033 1419271333 /nfs/dbraw/zinc/27/13/33/1419271333.db2.gz MRULUQZVTWKMQA-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN Cc1cc(C)c(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001714546117 1419272740 /nfs/dbraw/zinc/27/27/40/1419272740.db2.gz USOFACUHTUORBS-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CC=CCC1 ZINC001726356922 1427048587 /nfs/dbraw/zinc/04/85/87/1427048587.db2.gz HEKBCERPTJTLEE-HNNXBMFYSA-N 0 0 341.415 3.487 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC)C1 ZINC001745660525 1439806760 /nfs/dbraw/zinc/80/67/60/1439806760.db2.gz PBBFDVYQZZYKDI-CYBMUJFWSA-N 0 0 329.404 3.500 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000368184011 168321850 /nfs/dbraw/zinc/32/18/50/168321850.db2.gz KAYQGCWVDBWXHN-INIZCTEOSA-N 0 0 329.400 3.111 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC12CCOCC2 ZINC000368912154 168379607 /nfs/dbraw/zinc/37/96/07/168379607.db2.gz CMNXXTJWMXDYCU-UHFFFAOYSA-N 0 0 336.413 3.102 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2cc(F)ccc2F)c1 ZINC000049998698 214040258 /nfs/dbraw/zinc/04/02/58/214040258.db2.gz BVKIRNFNFXJWEV-MRXNPFEDSA-N 0 0 345.305 3.470 10 5 EGBERN CN(CC1CC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155129465 529860734 /nfs/dbraw/zinc/86/07/34/529860734.db2.gz COGMPRUZWADIFR-UHFFFAOYSA-N 0 0 328.166 3.231 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000152226215 290783086 /nfs/dbraw/zinc/78/30/86/290783086.db2.gz HQLHFRAEYCGROW-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1nn(CCC(=O)N(c2ccc(F)cc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000102253684 219192023 /nfs/dbraw/zinc/19/20/23/219192023.db2.gz NWDNBBFFZZHWDN-UHFFFAOYSA-N 0 0 348.378 3.379 10 5 EGBERN CSc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383918 210023998 /nfs/dbraw/zinc/02/39/98/210023998.db2.gz DKQADTPGBKSSFX-UHFFFAOYSA-N 0 0 346.364 3.112 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000068229343 215292218 /nfs/dbraw/zinc/29/22/18/215292218.db2.gz OXXDKJNPADRMLB-SECBINFHSA-N 0 0 336.779 3.415 10 5 EGBERN Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000040898624 213398353 /nfs/dbraw/zinc/39/83/53/213398353.db2.gz PUOPYXZTCZPKNW-UHFFFAOYSA-N 0 0 343.408 3.349 10 5 EGBERN Cc1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000068852006 215341553 /nfs/dbraw/zinc/34/15/53/215341553.db2.gz LKXAEZSUAWQOGV-UHFFFAOYSA-N 0 0 327.749 3.031 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])n1 ZINC000040661051 213365178 /nfs/dbraw/zinc/36/51/78/213365178.db2.gz IVXCMXSQCQXASK-UHFFFAOYSA-N 0 0 346.297 3.209 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])n1 ZINC000040649454 213363822 /nfs/dbraw/zinc/36/38/22/213363822.db2.gz JYEFKNXIWVUDJE-UHFFFAOYSA-N 0 0 328.307 3.070 10 5 EGBERN CN(C)N=c1nc[nH]c(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040628765 213361140 /nfs/dbraw/zinc/36/11/40/213361140.db2.gz WVQXZFCHQKUNDZ-UHFFFAOYSA-N 0 0 343.174 3.324 10 5 EGBERN CN(C)N=c1nc[nH]c(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000040628679 213360921 /nfs/dbraw/zinc/36/09/21/213360921.db2.gz NSVSXSGTFCKMCY-UHFFFAOYSA-N 0 0 343.174 3.324 10 5 EGBERN CCOc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040609105 213358497 /nfs/dbraw/zinc/35/84/97/213358497.db2.gz UNLXVERZTSHDDT-UHFFFAOYSA-N 0 0 329.360 3.127 10 5 EGBERN O=C(OCc1cncs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000180454833 233869969 /nfs/dbraw/zinc/86/99/69/233869969.db2.gz YUXJYMLGYCBPKO-UHFFFAOYSA-N 0 0 347.396 3.399 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@H](C)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000040069850 213256071 /nfs/dbraw/zinc/25/60/71/213256071.db2.gz BDAWVJZOWLJSRD-GFCCVEGCSA-N 0 0 343.383 3.478 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000184909642 235528919 /nfs/dbraw/zinc/52/89/19/235528919.db2.gz NWILGJCQNOIPPX-QMMMGPOBSA-N 0 0 325.415 3.297 10 5 EGBERN CC(C)n1cnn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=S ZINC000036398061 213098137 /nfs/dbraw/zinc/09/81/37/213098137.db2.gz FCFHETCSBDDXEC-NSHDSACASA-N 0 0 333.417 3.312 10 5 EGBERN COC(=O)/C(=C/OCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033349071 212929502 /nfs/dbraw/zinc/92/95/02/212929502.db2.gz BGTDHAOBJMVFHU-GHRIWEEISA-N 0 0 343.335 3.204 10 5 EGBERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000033010750 212887832 /nfs/dbraw/zinc/88/78/32/212887832.db2.gz NUSIXGWYZRVMGA-SNVBAGLBSA-N 0 0 338.360 3.311 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000130528217 223159270 /nfs/dbraw/zinc/15/92/70/223159270.db2.gz LTGRQLTYAGVTTG-SNVBAGLBSA-N 0 0 343.391 3.071 10 5 EGBERN Cc1ccc(-c2noc(COC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000023077953 212346514 /nfs/dbraw/zinc/34/65/14/212346514.db2.gz GXSCVXDJJWMLCW-UHFFFAOYSA-N 0 0 339.307 3.310 10 5 EGBERN Cc1ccc([C@@](O)(CCNc2ncccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000022406357 212295715 /nfs/dbraw/zinc/29/57/15/212295715.db2.gz XNIPOAHJQKCIOY-ZDUSSCGKSA-N 0 0 345.277 3.143 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110600200 220046012 /nfs/dbraw/zinc/04/60/12/220046012.db2.gz AVQFKXOLABXUMZ-UKRRQHHQSA-N 0 0 325.368 3.170 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185321382 284360803 /nfs/dbraw/zinc/36/08/03/284360803.db2.gz JMAQGZMVSFZPBJ-CQSZACIVSA-N 0 0 348.742 3.316 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(Cl)nc1 ZINC000080912135 217339648 /nfs/dbraw/zinc/33/96/48/217339648.db2.gz MEDUPRFSNQEBKO-NSHDSACASA-N 0 0 348.790 3.102 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000111707217 220183317 /nfs/dbraw/zinc/18/33/17/220183317.db2.gz QAYIGIXSHHPDSC-CQSZACIVSA-N 0 0 343.387 3.277 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264049107 246015272 /nfs/dbraw/zinc/01/52/72/246015272.db2.gz SDSLOTVEZLAHJH-INIZCTEOSA-N 0 0 341.367 3.145 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000151080765 223777740 /nfs/dbraw/zinc/77/77/40/223777740.db2.gz QYIPNSAMTODWNY-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000370592013 296227268 /nfs/dbraw/zinc/22/72/68/296227268.db2.gz DRIJBDNBBOFZBN-INIZCTEOSA-N 0 0 329.331 3.496 10 5 EGBERN CN(C)c1ccc(C(=O)N2CCc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000089326648 217786983 /nfs/dbraw/zinc/78/69/83/217786983.db2.gz QJESVEUALFXQDJ-UHFFFAOYSA-N 0 0 347.321 3.142 10 5 EGBERN Cc1csc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CCC2)n1 ZINC000265327854 247409544 /nfs/dbraw/zinc/40/95/44/247409544.db2.gz SABKDNNLNYLXCD-UHFFFAOYSA-N 0 0 331.397 3.477 10 5 EGBERN CCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000266649808 248397635 /nfs/dbraw/zinc/39/76/35/248397635.db2.gz FGHYEHJBCWUSTP-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000376883521 168959891 /nfs/dbraw/zinc/95/98/91/168959891.db2.gz IRLNLZXOLTVSEK-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000377354251 169013596 /nfs/dbraw/zinc/01/35/96/169013596.db2.gz JBUFEASDORDJMN-IAGOWNOFSA-N 0 0 326.352 3.245 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000377570789 169042872 /nfs/dbraw/zinc/04/28/72/169042872.db2.gz HGIIDQSBYCVJQF-UHFFFAOYSA-N 0 0 341.323 3.000 10 5 EGBERN Cc1c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000408198569 169165094 /nfs/dbraw/zinc/16/50/94/169165094.db2.gz NOUFOVIJWOIYRD-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000093969382 218258327 /nfs/dbraw/zinc/25/83/27/218258327.db2.gz VNAYCAPIENXQSA-IUCAKERBSA-N 0 0 344.314 3.338 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000267401852 251025240 /nfs/dbraw/zinc/02/52/40/251025240.db2.gz NKNJSRVPZHORII-SJORKVTESA-N 0 0 343.383 3.079 10 5 EGBERN Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000267801949 251361265 /nfs/dbraw/zinc/36/12/65/251361265.db2.gz XAJVEDVAISYRCE-JTQLQIEISA-N 0 0 334.401 3.229 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152435960 223963888 /nfs/dbraw/zinc/96/38/88/223963888.db2.gz RWSUTOAOBSQQLT-GUYCJALGSA-N 0 0 333.388 3.062 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000268234070 251747906 /nfs/dbraw/zinc/74/79/06/251747906.db2.gz VGYJRUZEJHFZRC-INIZCTEOSA-N 0 0 334.397 3.381 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000154336380 285112641 /nfs/dbraw/zinc/11/26/41/285112641.db2.gz OTYSOCOEMAHQST-UHFFFAOYSA-N 0 0 330.306 3.369 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)c2nonc21 ZINC000032892679 285131406 /nfs/dbraw/zinc/13/14/06/285131406.db2.gz BXAUYIYEAQSOCP-UHFFFAOYSA-N 0 0 335.323 3.175 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nccs1 ZINC000115363426 220836217 /nfs/dbraw/zinc/83/62/17/220836217.db2.gz OAOAOUHICVIIRQ-CYBMUJFWSA-N 0 0 347.396 3.184 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000338089737 141091676 /nfs/dbraw/zinc/09/16/76/141091676.db2.gz RUPCKNVPEFDXQL-CQSZACIVSA-N 0 0 344.342 3.468 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000338089837 141091761 /nfs/dbraw/zinc/09/17/61/141091761.db2.gz SCZJZWVDQCMJIH-HNNXBMFYSA-N 0 0 348.305 3.299 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338138035 141100691 /nfs/dbraw/zinc/10/06/91/141100691.db2.gz FVEVJRYFXFDJCS-LLVKDONJSA-N 0 0 336.344 3.221 10 5 EGBERN Cn1c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000338179004 141105563 /nfs/dbraw/zinc/10/55/63/141105563.db2.gz JLBROVXARMWSBM-NSHDSACASA-N 0 0 345.321 3.128 10 5 EGBERN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000346196224 141178374 /nfs/dbraw/zinc/17/83/74/141178374.db2.gz SOGAJOVWNDLTNC-CQSZACIVSA-N 0 0 327.375 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cn1 ZINC000347882221 141210107 /nfs/dbraw/zinc/21/01/07/141210107.db2.gz ZAJLQQZKEZPTEZ-CQSZACIVSA-N 0 0 336.355 3.116 10 5 EGBERN O=C(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 ZINC000347984988 141228592 /nfs/dbraw/zinc/22/85/92/141228592.db2.gz JIHBLECYSIMXPW-UHFFFAOYSA-N 0 0 342.326 3.108 10 5 EGBERN C[C@H](C(=O)N[C@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347995408 141230469 /nfs/dbraw/zinc/23/04/69/141230469.db2.gz ILYMJZYYLMHGGM-GTNSWQLSSA-N 0 0 343.358 3.500 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000356811521 141346533 /nfs/dbraw/zinc/34/65/33/141346533.db2.gz HIRYFOHHSWJJSV-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN C[C@H](CC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356832320 141350533 /nfs/dbraw/zinc/35/05/33/141350533.db2.gz RHSHNVXBAGUZOD-CHWSQXEVSA-N 0 0 334.420 3.075 10 5 EGBERN Cc1c(CC(=O)Nc2n[nH]c3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000356846496 141352740 /nfs/dbraw/zinc/35/27/40/141352740.db2.gz ZLWMVQQEBVYQFA-UHFFFAOYSA-N 0 0 328.303 3.100 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCO2)c1 ZINC000167602573 143993103 /nfs/dbraw/zinc/99/31/03/143993103.db2.gz YQIZWDVWABRNON-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000171646555 144009104 /nfs/dbraw/zinc/00/91/04/144009104.db2.gz IPTDNTAHLGBNBN-UZYOAWRESA-N 0 0 343.408 3.471 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000172786677 144028427 /nfs/dbraw/zinc/02/84/27/144028427.db2.gz FEVNRJFZOZPEOK-DZGCQCFKSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000173006584 144033431 /nfs/dbraw/zinc/03/34/31/144033431.db2.gz NDEJYTCDHPTEPL-UHFFFAOYSA-N 0 0 335.363 3.204 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(C(F)F)cc1 ZINC000183855597 144080922 /nfs/dbraw/zinc/08/09/22/144080922.db2.gz QCJMQCFROPTYLN-UHFFFAOYSA-N 0 0 342.323 3.011 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(Cl)cc1 ZINC000351499790 144270218 /nfs/dbraw/zinc/27/02/18/144270218.db2.gz CNSKZWBQQSAINR-CZUORRHYSA-N 0 0 346.774 3.027 10 5 EGBERN Cn1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1 ZINC000365384973 144432040 /nfs/dbraw/zinc/43/20/40/144432040.db2.gz LXOHOCLCSAXXPQ-JXMROGBWSA-N 0 0 349.350 3.042 10 5 EGBERN Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000357454353 292161476 /nfs/dbraw/zinc/16/14/76/292161476.db2.gz KYXHPCFCSLGDJC-INIZCTEOSA-N 0 0 327.384 3.015 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000341449586 155297502 /nfs/dbraw/zinc/29/75/02/155297502.db2.gz HSHULIGTBMPPMS-MRXNPFEDSA-N 0 0 342.351 3.263 10 5 EGBERN CCOc1ccc(C(=O)NC(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000116142188 152045940 /nfs/dbraw/zinc/04/59/40/152045940.db2.gz GSVSRIGKRIETJV-UHFFFAOYSA-N 0 0 335.385 3.115 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc([N+](=O)[O-])c1 ZINC000116819517 152077040 /nfs/dbraw/zinc/07/70/40/152077040.db2.gz WBGWFGPZOSALBK-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN NC(=O)c1ccc(CN2CC=C(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000117895391 152119444 /nfs/dbraw/zinc/11/94/44/152119444.db2.gz VAIYOGKNPUZPAZ-UHFFFAOYSA-N 0 0 343.408 3.045 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119591512 152216175 /nfs/dbraw/zinc/21/61/75/152216175.db2.gz UTWIRFRXGTYTGY-LBPRGKRZSA-N 0 0 329.356 3.395 10 5 EGBERN COc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000119806682 152228841 /nfs/dbraw/zinc/22/88/41/152228841.db2.gz MKLNMMARISOFPG-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN COC(=O)[C@H](C)CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000121106117 152326338 /nfs/dbraw/zinc/32/63/38/152326338.db2.gz DMFRGKDQZILJBW-CYBMUJFWSA-N 0 0 348.424 3.468 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000121521110 152357014 /nfs/dbraw/zinc/35/70/14/152357014.db2.gz WSRSSVZNHMNMLV-GFCCVEGCSA-N 0 0 342.417 3.061 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000152759893 152510329 /nfs/dbraw/zinc/51/03/29/152510329.db2.gz XLZFZNVUWOKFGD-SKDRFNHKSA-N 0 0 332.381 3.259 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000153310722 152532935 /nfs/dbraw/zinc/53/29/35/152532935.db2.gz ORAGTZXVYRQUBQ-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(OCC2CC2)c1 ZINC000153745010 152554242 /nfs/dbraw/zinc/55/42/42/152554242.db2.gz ZASWRZFYVXJZFI-UHFFFAOYSA-N 0 0 334.763 3.439 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cccc2ccc(=O)[nH]c21 ZINC000341586311 155368515 /nfs/dbraw/zinc/36/85/15/155368515.db2.gz HAMCUDARXMCQTG-UHFFFAOYSA-N 0 0 327.271 3.240 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000189290775 153061542 /nfs/dbraw/zinc/06/15/42/153061542.db2.gz CVZZEUCHTYKSLC-UHFFFAOYSA-N 0 0 340.343 3.084 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cccc(C)c1[N+](=O)[O-])CC2 ZINC000193784698 153304535 /nfs/dbraw/zinc/30/45/35/153304535.db2.gz NIPAUURUQXNXEJ-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000194576318 153345265 /nfs/dbraw/zinc/34/52/65/153345265.db2.gz RUHBYAPVYIPAGN-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(SCC(=O)Nc2ccccc2)c1 ZINC000336935905 154242380 /nfs/dbraw/zinc/24/23/80/154242380.db2.gz UEEVWOFXXPQQCF-UHFFFAOYSA-N 0 0 346.364 3.112 10 5 EGBERN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1F ZINC000339186775 154741666 /nfs/dbraw/zinc/74/16/66/154741666.db2.gz UAEARYGWTYWRAM-UHFFFAOYSA-N 0 0 346.314 3.076 10 5 EGBERN COc1ccc(C(=O)C[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000346867244 156170131 /nfs/dbraw/zinc/17/01/31/156170131.db2.gz QGBIQSLQEIWFAR-LBPRGKRZSA-N 0 0 342.351 3.451 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000346915673 156195981 /nfs/dbraw/zinc/19/59/81/156195981.db2.gz MFEXXQLHJVPWOM-HNNXBMFYSA-N 0 0 329.356 3.188 10 5 EGBERN COc1cccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000349160217 156371259 /nfs/dbraw/zinc/37/12/59/156371259.db2.gz OUBXFRIBBBZNNR-UHFFFAOYSA-N 0 0 337.335 3.350 10 5 EGBERN CCSCC[C@H](C)N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340012841 286700628 /nfs/dbraw/zinc/70/06/28/286700628.db2.gz FMCVAFPBEJMXDT-NSHDSACASA-N 0 0 341.433 3.053 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@H](CC)CSC)cc1[N+](=O)[O-] ZINC000091150952 161926097 /nfs/dbraw/zinc/92/60/97/161926097.db2.gz VSVLSXCHDKQUED-GFCCVEGCSA-N 0 0 326.418 3.207 10 5 EGBERN COc1ccc(-c2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)cn1 ZINC000109589463 162106553 /nfs/dbraw/zinc/10/65/53/162106553.db2.gz WLVSPOULMQUTIS-UHFFFAOYSA-N 0 0 344.352 3.437 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129391361 162356181 /nfs/dbraw/zinc/35/61/81/162356181.db2.gz YVZMIUCFGFFRHT-OIISXLGYSA-N 0 0 347.415 3.303 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130788120 162379342 /nfs/dbraw/zinc/37/93/42/162379342.db2.gz CSXBTOLYECDHSS-UHFFFAOYSA-N 0 0 336.779 3.031 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000151816262 162604294 /nfs/dbraw/zinc/60/42/94/162604294.db2.gz ILVZSKLHEDMMJD-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1c(Br)cc(C(=O)NC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000337257496 163182618 /nfs/dbraw/zinc/18/26/18/163182618.db2.gz OBAVDZLWQUGMAZ-UHFFFAOYSA-N 0 0 349.131 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1C ZINC000354763771 166025314 /nfs/dbraw/zinc/02/53/14/166025314.db2.gz DIXCLWPGWBTCIF-CABCVRRESA-N 0 0 346.408 3.046 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2c1cccc2F ZINC000343728076 164021351 /nfs/dbraw/zinc/02/13/51/164021351.db2.gz JGBUMAWVHNEDCI-UHFFFAOYSA-N 0 0 336.269 3.144 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(O[C@H]2CCOC2)c1 ZINC000343919452 164065897 /nfs/dbraw/zinc/06/58/97/164065897.db2.gz XTAJDXJATRGBBI-HNNXBMFYSA-N 0 0 329.356 3.078 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960086 164073118 /nfs/dbraw/zinc/07/31/18/164073118.db2.gz HTSMDJBEMPLUHC-JSGCOSHPSA-N 0 0 347.415 3.052 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCOC1 ZINC000344260764 164140178 /nfs/dbraw/zinc/14/01/78/164140178.db2.gz FLQSOGICTOPKGU-GFCCVEGCSA-N 0 0 338.429 3.253 10 5 EGBERN COc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2s1 ZINC000344321401 164155856 /nfs/dbraw/zinc/15/58/56/164155856.db2.gz RXEBSNZSUTVVMW-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1noc(COc2ccsc2)n1 ZINC000346403605 164381201 /nfs/dbraw/zinc/38/12/01/164381201.db2.gz HWZGKKGQYKPVLW-UHFFFAOYSA-N 0 0 346.368 3.273 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc3nccnc32)cc1[N+](=O)[O-] ZINC000347839534 164590585 /nfs/dbraw/zinc/59/05/85/164590585.db2.gz CLDBHIIOEVJIBH-GFCCVEGCSA-N 0 0 336.351 3.337 10 5 EGBERN Cc1nn([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000354920840 166063908 /nfs/dbraw/zinc/06/39/08/166063908.db2.gz OONVYHDIKVHDKH-VIFPVBQESA-N 0 0 333.735 3.412 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000352260609 165314983 /nfs/dbraw/zinc/31/49/83/165314983.db2.gz ZGAKTYCBROAZFH-KRWDZBQOSA-N 0 0 349.387 3.028 10 5 EGBERN CC[C@H](NC(=O)N1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353534210 165794981 /nfs/dbraw/zinc/79/49/81/165794981.db2.gz GWGYGSKFBCDLGV-HOTGVXAUSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000355166116 166120914 /nfs/dbraw/zinc/12/09/14/166120914.db2.gz OYUNLBLYXDTIBH-SNVBAGLBSA-N 0 0 329.356 3.335 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000355166114 166121427 /nfs/dbraw/zinc/12/14/27/166121427.db2.gz OYUNLBLYXDTIBH-JTQLQIEISA-N 0 0 329.356 3.335 10 5 EGBERN CC1(C2CC2)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000355474301 166213771 /nfs/dbraw/zinc/21/37/71/166213771.db2.gz RTBBUCUIOIXHIA-UHFFFAOYSA-N 0 0 332.400 3.402 10 5 EGBERN C[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000355969286 166362296 /nfs/dbraw/zinc/36/22/96/166362296.db2.gz RRASYVMNBSGEHC-AWEZNQCLSA-N 0 0 327.384 3.185 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000358937574 167013531 /nfs/dbraw/zinc/01/35/31/167013531.db2.gz YZXOGWPGKZICFR-GFCCVEGCSA-N 0 0 332.356 3.013 10 5 EGBERN CCC(=O)c1ccc(NCc2ccc(CO)c(F)c2)c([N+](=O)[O-])c1 ZINC000358945904 167015434 /nfs/dbraw/zinc/01/54/34/167015434.db2.gz GLMFYXDACSTFJB-UHFFFAOYSA-N 0 0 332.331 3.431 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)CC2CCCCC2)n1 ZINC000359107403 167068568 /nfs/dbraw/zinc/06/85/68/167068568.db2.gz JSROTNOIRDXSCR-UHFFFAOYSA-N 0 0 334.420 3.105 10 5 EGBERN COc1c(C)cnc(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000359108784 167069292 /nfs/dbraw/zinc/06/92/92/167069292.db2.gz MQKVLLWLRFGVND-UHFFFAOYSA-N 0 0 330.388 3.263 10 5 EGBERN Cc1sc(C(=O)NCc2cc(=O)[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000359281850 167115311 /nfs/dbraw/zinc/11/53/11/167115311.db2.gz RPLPQGRKDAQIIP-UHFFFAOYSA-N 0 0 343.364 3.149 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1c[nH]c2ccc(F)cc12 ZINC000359344547 167131580 /nfs/dbraw/zinc/13/15/80/167131580.db2.gz HAOLLMSFPSJBRS-UHFFFAOYSA-N 0 0 341.342 3.117 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000359416226 167150303 /nfs/dbraw/zinc/15/03/03/167150303.db2.gz JGIDHWBOOAGPMW-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CCCO)c1 ZINC000359494636 167172358 /nfs/dbraw/zinc/17/23/58/167172358.db2.gz QBEUOFQPXHHUJX-UHFFFAOYSA-N 0 0 328.368 3.091 10 5 EGBERN Cc1c(CNC(=O)NC[C@@]2(O)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000359547881 167188005 /nfs/dbraw/zinc/18/80/05/167188005.db2.gz PYSUDDKXIDELIO-GOSISDBHSA-N 0 0 349.431 3.034 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000359750660 167223013 /nfs/dbraw/zinc/22/30/13/167223013.db2.gz LLJWABIPPBLAMM-UHFFFAOYSA-N 0 0 343.387 3.280 10 5 EGBERN COc1cc(CNc2ccc3c(C)nn(C)c3c2)ccc1[N+](=O)[O-] ZINC000359853052 167249360 /nfs/dbraw/zinc/24/93/60/167249360.db2.gz SVRNAWJHFJPIBN-UHFFFAOYSA-N 0 0 326.356 3.411 10 5 EGBERN CNC(=O)c1cc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc2[nH]1 ZINC000359879348 167255822 /nfs/dbraw/zinc/25/58/22/167255822.db2.gz QKYJEHQMGQMAOZ-UHFFFAOYSA-N 0 0 345.746 3.228 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000360193484 167267433 /nfs/dbraw/zinc/26/74/33/167267433.db2.gz IPVMPHGUVKTNOE-CYBMUJFWSA-N 0 0 326.352 3.327 10 5 EGBERN CC1CCC(C)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000360208840 167271485 /nfs/dbraw/zinc/27/14/85/167271485.db2.gz WXNDQKRVDRWJEP-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)nn(C)c1C ZINC000360547610 167355020 /nfs/dbraw/zinc/35/50/20/167355020.db2.gz RGRISGXNYZXATN-AWEZNQCLSA-N 0 0 330.388 3.153 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(CC2)c2ccccc21 ZINC000360614896 167369462 /nfs/dbraw/zinc/36/94/62/167369462.db2.gz VRQLQCRWTOHHQK-ZDUSSCGKSA-N 0 0 337.379 3.474 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(F)cc1F ZINC000360924375 167450609 /nfs/dbraw/zinc/45/06/09/167450609.db2.gz QRQYBHKOQIGGRR-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN CN(CC(=O)N1CCC2(C1)CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000361865893 167680109 /nfs/dbraw/zinc/68/01/09/167680109.db2.gz CWRFZDNWANSYSZ-UHFFFAOYSA-N 0 0 331.416 3.214 10 5 EGBERN CC(C)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCOC1 ZINC000362263106 167713605 /nfs/dbraw/zinc/71/36/05/167713605.db2.gz RHDQSOUQLVYGJY-ZDUSSCGKSA-N 0 0 334.397 3.449 10 5 EGBERN C[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000363805842 167924949 /nfs/dbraw/zinc/92/49/49/167924949.db2.gz YZNUJOVEMBDMFM-NSHDSACASA-N 0 0 338.791 3.279 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000364917095 168001725 /nfs/dbraw/zinc/00/17/25/168001725.db2.gz KAZXDRKCEQKFKD-DOHVERKWSA-N 0 0 344.411 3.318 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000367490290 168233602 /nfs/dbraw/zinc/23/36/02/168233602.db2.gz RWYXLVDUVAVOIB-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000367550458 168240994 /nfs/dbraw/zinc/24/09/94/168240994.db2.gz RRVNYDKUFUYZLM-MAUKXSAKSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000367793645 168270792 /nfs/dbraw/zinc/27/07/92/168270792.db2.gz JUQZXVCZJYREHB-UHFFFAOYSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1nc2c(s1)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000367928989 168285277 /nfs/dbraw/zinc/28/52/77/168285277.db2.gz GVJFBGVFDLHSMJ-CQSZACIVSA-N 0 0 331.397 3.096 10 5 EGBERN C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000160166065 225351470 /nfs/dbraw/zinc/35/14/70/225351470.db2.gz BRGPHXWCGVLIKY-INIZCTEOSA-N 0 0 336.775 3.060 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171006959 226833271 /nfs/dbraw/zinc/83/32/71/226833271.db2.gz ALUCFFQIMGMRKJ-BXUZGUMPSA-N 0 0 332.381 3.259 10 5 EGBERN O=C(NCc1nc(C2CC2)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124540546 222444456 /nfs/dbraw/zinc/44/44/56/222444456.db2.gz LKZMKYFSLQPJSY-UHFFFAOYSA-N 0 0 342.380 3.340 10 5 EGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173211660 264966643 /nfs/dbraw/zinc/96/66/43/264966643.db2.gz KQCNMUJYAWKSGH-ZJUUUORDSA-N 0 0 332.809 3.057 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000174309440 265041304 /nfs/dbraw/zinc/04/13/04/265041304.db2.gz IGNLOFJRGUJFAM-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000174709110 265067618 /nfs/dbraw/zinc/06/76/18/265067618.db2.gz PIBXXXMUAJCGLG-ZETCQYMHSA-N 0 0 338.389 3.136 10 5 EGBERN COC(=O)c1cccc(-c2noc(-c3cc([N+](=O)[O-])c(C)s3)n2)c1 ZINC000174868184 265076718 /nfs/dbraw/zinc/07/67/18/265076718.db2.gz FXKZWRRTUBUBTF-UHFFFAOYSA-N 0 0 345.336 3.468 10 5 EGBERN CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175185975 265100039 /nfs/dbraw/zinc/10/00/39/265100039.db2.gz XOFHDRQSJQJMMN-MRXNPFEDSA-N 0 0 341.367 3.109 10 5 EGBERN CC[C@@H](NC(=O)C(=O)Nc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000178056635 265292934 /nfs/dbraw/zinc/29/29/34/265292934.db2.gz RKZKGYCJKMVEBN-OAHLLOKOSA-N 0 0 341.367 3.109 10 5 EGBERN COC(=O)c1cc(N(Cc2ccccn2)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000178768502 265340747 /nfs/dbraw/zinc/34/07/47/265340747.db2.gz WRLUEWZJTXGDTI-UHFFFAOYSA-N 0 0 341.367 3.254 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000187858396 265630613 /nfs/dbraw/zinc/63/06/13/265630613.db2.gz BGHNQAPMDXJVBO-SMDDNHRTSA-N 0 0 338.429 3.204 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000193637710 266050244 /nfs/dbraw/zinc/05/02/44/266050244.db2.gz BFBSDOREMBUVJH-NWDGAFQWSA-N 0 0 347.371 3.183 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000272290320 266810795 /nfs/dbraw/zinc/81/07/95/266810795.db2.gz BMDQIKPQPFNMTA-DOMZBBRYSA-N 0 0 335.404 3.164 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000272581202 266874022 /nfs/dbraw/zinc/87/40/22/266874022.db2.gz MHNXJWAIDINQKR-UKRRQHHQSA-N 0 0 349.431 3.472 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000273247385 267005547 /nfs/dbraw/zinc/00/55/47/267005547.db2.gz IPIXGMJXMMHQLR-VDAYMNBPSA-N 0 0 332.400 3.320 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273340206 267023842 /nfs/dbraw/zinc/02/38/42/267023842.db2.gz ADPAMTVVOUZBSJ-UHFFFAOYSA-N 0 0 338.364 3.287 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(CCOCC2)C1 ZINC000273457609 267042224 /nfs/dbraw/zinc/04/22/24/267042224.db2.gz VCEDAYAJJMIWFI-FYWRMAATSA-N 0 0 344.411 3.417 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000275520383 267372844 /nfs/dbraw/zinc/37/28/44/267372844.db2.gz JNABNRQINVTMSW-HIFRSBDPSA-N 0 0 335.404 3.164 10 5 EGBERN Cc1cc(COC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000275840532 267437266 /nfs/dbraw/zinc/43/72/66/267437266.db2.gz USHLLLWRNMEISX-UHFFFAOYSA-N 0 0 335.747 3.320 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)cc1[N+](=O)[O-] ZINC000277361646 267770341 /nfs/dbraw/zinc/77/03/41/267770341.db2.gz BNTZEGONXHKNNG-PCBIJLKTSA-N 0 0 343.383 3.027 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccsc2)C2CCCCC2)n1 ZINC000278544944 268035837 /nfs/dbraw/zinc/03/58/37/268035837.db2.gz UJSHPQUFQIZZAL-UHFFFAOYSA-N 0 0 334.401 3.369 10 5 EGBERN C[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000342283303 274245458 /nfs/dbraw/zinc/24/54/58/274245458.db2.gz QKJVGDYXKVPWGM-SNVBAGLBSA-N 0 0 335.310 3.162 10 5 EGBERN O=C1CCc2cc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2N1 ZINC000357087917 275018459 /nfs/dbraw/zinc/01/84/59/275018459.db2.gz SNBHDMQUXMDQEC-UHFFFAOYSA-N 0 0 336.307 3.197 10 5 EGBERN C[C@H](OCc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375533 275161723 /nfs/dbraw/zinc/16/17/23/275161723.db2.gz XUAZVJDEHVKXSW-KGLIPLIRSA-N 0 0 340.379 3.478 10 5 EGBERN COc1ccc(F)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376405 275161815 /nfs/dbraw/zinc/16/18/15/275161815.db2.gz KBXCEVNDXQIDIA-JTQLQIEISA-N 0 0 330.315 3.334 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1COc2ccccc21 ZINC000127666216 275192130 /nfs/dbraw/zinc/19/21/30/275192130.db2.gz CHMLURLYEUGVIM-CYBMUJFWSA-N 0 0 327.340 3.467 10 5 EGBERN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184980914 275214389 /nfs/dbraw/zinc/21/43/89/275214389.db2.gz PDVHZSFURGEPNA-CHWSQXEVSA-N 0 0 343.383 3.311 10 5 EGBERN COc1cccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000194939232 275230756 /nfs/dbraw/zinc/23/07/56/275230756.db2.gz KOUYTOKNQUYYHM-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC(C)(C)c3ccccc32)n1 ZINC000272623789 275244708 /nfs/dbraw/zinc/24/47/08/275244708.db2.gz WQETUIWZCYHWBH-UHFFFAOYSA-N 0 0 328.372 3.047 10 5 EGBERN CC1(C)CC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000278714607 275267989 /nfs/dbraw/zinc/26/79/89/275267989.db2.gz JNVAANDEWZMPQH-LLVKDONJSA-N 0 0 343.177 3.253 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279255330 275316663 /nfs/dbraw/zinc/31/66/63/275316663.db2.gz RITDLGVEEKBVMO-GXFFZTMASA-N 0 0 347.289 3.418 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC000279875450 275368700 /nfs/dbraw/zinc/36/87/00/275368700.db2.gz TVJDPEAYFMCSDS-ZTODGRRHSA-N 0 0 332.400 3.150 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000368315110 275399961 /nfs/dbraw/zinc/39/99/61/275399961.db2.gz HHGIFWGOJHKUIO-ABDJAZHISA-N 0 0 344.411 3.273 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000185146639 275399967 /nfs/dbraw/zinc/39/99/67/275399967.db2.gz VZPQEWLUHOODSN-DIKSDDLMSA-N 0 0 342.395 3.072 10 5 EGBERN CN(CCc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000283040530 275692960 /nfs/dbraw/zinc/69/29/60/275692960.db2.gz DTUWHGULUZFDSC-UHFFFAOYSA-N 0 0 343.412 3.131 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC000283236697 275706919 /nfs/dbraw/zinc/70/69/19/275706919.db2.gz SCROGFMOWXKORE-MRXNPFEDSA-N 0 0 349.394 3.384 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283695993 275745288 /nfs/dbraw/zinc/74/52/88/275745288.db2.gz UXCJHXCOSGRUEZ-UHFFFAOYSA-N 0 0 329.356 3.083 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285635418 275897859 /nfs/dbraw/zinc/89/78/59/275897859.db2.gz BHIGOXDLRBLFPS-DCVVVBLRSA-N 0 0 330.384 3.168 10 5 EGBERN Cc1cnc([C@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)s1 ZINC000286515506 276010639 /nfs/dbraw/zinc/01/06/39/276010639.db2.gz BMMNCOKKJXLPRV-MRVPVSSYSA-N 0 0 345.384 3.224 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Cl)cn1 ZINC000287034132 276073904 /nfs/dbraw/zinc/07/39/04/276073904.db2.gz SGGCZEAVHSZBSC-UHFFFAOYSA-N 0 0 348.790 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC(F)F ZINC000287610341 276139289 /nfs/dbraw/zinc/13/92/89/276139289.db2.gz PCWBUHIMIDEGNN-NSHDSACASA-N 0 0 343.330 3.100 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000288717890 276245047 /nfs/dbraw/zinc/24/50/47/276245047.db2.gz ZSFAVKDUZFLOFY-UHFFFAOYSA-N 0 0 333.413 3.303 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000289699331 276380208 /nfs/dbraw/zinc/38/02/08/276380208.db2.gz HARQGABDDMOBAV-OAHLLOKOSA-N 0 0 343.383 3.055 10 5 EGBERN CCOCc1nc([C@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000290199015 276462149 /nfs/dbraw/zinc/46/21/49/276462149.db2.gz OYHBVUCJZZNPLM-FZMZJTMJSA-N 0 0 334.376 3.316 10 5 EGBERN CCOc1cccc(N2CCC(c3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000097108534 276498733 /nfs/dbraw/zinc/49/87/33/276498733.db2.gz ZXYZCOQGAFIPMQ-UHFFFAOYSA-N 0 0 330.388 3.111 10 5 EGBERN CCOCc1nc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000290953763 276565307 /nfs/dbraw/zinc/56/53/07/276565307.db2.gz QVLZJLVXOHCQJS-VIFPVBQESA-N 0 0 340.767 3.019 10 5 EGBERN CC[C@@H](NC(=O)NCCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000291004027 276573260 /nfs/dbraw/zinc/57/32/60/276573260.db2.gz ZECOXXJFJQYRFR-CQSZACIVSA-N 0 0 348.428 3.434 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCSCC1 ZINC000291561453 276659900 /nfs/dbraw/zinc/65/99/00/276659900.db2.gz XZLBHEVITSPWHV-UHFFFAOYSA-N 0 0 335.212 3.481 10 5 EGBERN CC[C@@H]1CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000292029063 276723183 /nfs/dbraw/zinc/72/31/83/276723183.db2.gz YCJNOHVFFXGLLQ-SSDOTTSWSA-N 0 0 339.200 3.075 10 5 EGBERN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000292361039 276778970 /nfs/dbraw/zinc/77/89/70/276778970.db2.gz CQTDAQSWKMYLBF-WBMJQRKESA-N 0 0 338.379 3.022 10 5 EGBERN COC(=O)C[C@@](C)(NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000353151142 277327872 /nfs/dbraw/zinc/32/78/72/277327872.db2.gz UKTBLPLLNCNJQH-GOSISDBHSA-N 0 0 346.358 3.302 10 5 EGBERN COc1cccc(N[C@H]2CCc3cnn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC000375451641 277456465 /nfs/dbraw/zinc/45/64/65/277456465.db2.gz XPTVREBWYLWNKU-ZDUSSCGKSA-N 0 0 330.388 3.350 10 5 EGBERN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911203 278371676 /nfs/dbraw/zinc/37/16/76/278371676.db2.gz QLPVWHHRFNEIRW-MLGOLLRUSA-N 0 0 341.415 3.251 10 5 EGBERN C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342246985 278503319 /nfs/dbraw/zinc/50/33/19/278503319.db2.gz GKKAVMOYCSDQDD-RISCZKNCSA-N 0 0 347.415 3.136 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@]2(CCCOC2)C1 ZINC000352418937 280172159 /nfs/dbraw/zinc/17/21/59/280172159.db2.gz JKXMYPSIOLYAPH-SFHVURJKSA-N 0 0 344.367 3.374 10 5 EGBERN Cc1[nH]nc2ncc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc12 ZINC000357599956 280194287 /nfs/dbraw/zinc/19/42/87/280194287.db2.gz NVZGWCKVJLAHIN-UHFFFAOYSA-N 0 0 345.746 3.389 10 5 EGBERN Cc1c(O)ccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(=O)oc12 ZINC000020615306 280250975 /nfs/dbraw/zinc/25/09/75/280250975.db2.gz KRJNFCGWLKQQEU-UHFFFAOYSA-N 0 0 337.291 3.259 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](c2nccs2)C1 ZINC000110464340 280354798 /nfs/dbraw/zinc/35/47/98/280354798.db2.gz FKPKTJFKHJMGTN-AWEZNQCLSA-N 0 0 342.380 3.177 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000371592629 293381336 /nfs/dbraw/zinc/38/13/36/293381336.db2.gz IYRTWKAGYJEQTB-OAHLLOKOSA-N 0 0 344.371 3.352 10 5 EGBERN NC(=O)c1ccnc(N[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000357189203 295192423 /nfs/dbraw/zinc/19/24/23/295192423.db2.gz TXBYKGLSHLUVII-DZGCQCFKSA-N 0 0 340.383 3.227 10 5 EGBERN C[C@H]1N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000346605254 300551797 /nfs/dbraw/zinc/55/17/97/300551797.db2.gz MMNXBZTUESEYFC-CQSZACIVSA-N 0 0 346.427 3.290 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1Cc2ccccc2[C@@H]1C ZINC000340856164 302046984 /nfs/dbraw/zinc/04/69/84/302046984.db2.gz USFQOQVOIBYSQV-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCc1ccc(F)cc1 ZINC000056519603 307343635 /nfs/dbraw/zinc/34/36/35/307343635.db2.gz NAFYNGUSYPPKRM-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067502669 307365983 /nfs/dbraw/zinc/36/59/83/307365983.db2.gz CVGWXVACQNJASE-HZPDHXFCSA-N 0 0 328.393 3.359 10 5 EGBERN O=C(Nc1ccc2c(c1)COC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000092168335 307465115 /nfs/dbraw/zinc/46/51/15/307465115.db2.gz JRZHMQYRSQDKGV-UHFFFAOYSA-N 0 0 339.351 3.215 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000121444438 307519371 /nfs/dbraw/zinc/51/93/71/307519371.db2.gz PHVNRPFWYKFIKU-UHFFFAOYSA-N 0 0 334.397 3.336 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000131734367 307648525 /nfs/dbraw/zinc/64/85/25/307648525.db2.gz DOZKCWLZDSFKRW-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000147401935 307721900 /nfs/dbraw/zinc/72/19/00/307721900.db2.gz ZYSJVCKKCPVBLI-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000149128440 307722196 /nfs/dbraw/zinc/72/21/96/307722196.db2.gz XXWVCSXIFSYXTB-UHFFFAOYSA-N 0 0 341.367 3.477 10 5 EGBERN CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000150721404 307722512 /nfs/dbraw/zinc/72/25/12/307722512.db2.gz VHNAKHDIGFHCCY-GFCCVEGCSA-N 0 0 349.412 3.396 10 5 EGBERN Cc1c(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000151650976 307736622 /nfs/dbraw/zinc/73/66/22/307736622.db2.gz NWRCCBRMLPAUTI-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN COc1cc(C(=O)N(CCc2nccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000151668349 307736852 /nfs/dbraw/zinc/73/68/52/307736852.db2.gz YRVRORALGJKWNQ-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN CCN(Cc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000156916890 307839611 /nfs/dbraw/zinc/83/96/11/307839611.db2.gz PLBZAQKZNPUPLF-UHFFFAOYSA-N 0 0 335.310 3.239 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)c(Cl)c1 ZINC000160313642 307887942 /nfs/dbraw/zinc/88/79/42/307887942.db2.gz PGOCFWXNQBMOIS-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000160341426 307888408 /nfs/dbraw/zinc/88/84/08/307888408.db2.gz DOKXLBCDIYTPLN-SNVBAGLBSA-N 0 0 335.360 3.098 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN[C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000292907259 308078691 /nfs/dbraw/zinc/07/86/91/308078691.db2.gz HAUWAAFAHMTNDD-NSHDSACASA-N 0 0 347.318 3.323 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414468319 309082050 /nfs/dbraw/zinc/08/20/50/309082050.db2.gz CUOBYIJVWZKEGJ-BLLLJJGKSA-N 0 0 332.381 3.199 10 5 EGBERN C[C@]12CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000293681024 308152432 /nfs/dbraw/zinc/15/24/32/308152432.db2.gz OQWUECDPLYQAEF-HIFRSBDPSA-N 0 0 335.310 3.193 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293741218 308157662 /nfs/dbraw/zinc/15/76/62/308157662.db2.gz PWOYRWWTBMXATA-SJORKVTESA-N 0 0 332.400 3.291 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294040940 308185439 /nfs/dbraw/zinc/18/54/39/308185439.db2.gz ISOBRHYTCCLYSM-UHFFFAOYSA-N 0 0 329.356 3.434 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@@H](C(C)C)C1 ZINC000294491185 308225976 /nfs/dbraw/zinc/22/59/76/308225976.db2.gz QRMHRVMHKMDVRF-GWKQRERASA-N 0 0 332.400 3.272 10 5 EGBERN C[C@]12CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000294552494 308231586 /nfs/dbraw/zinc/23/15/86/308231586.db2.gz DTWGXRUTLMJXLY-YPMHNXCESA-N 0 0 346.280 3.190 10 5 EGBERN COc1cc(N2CCC3(CCC(O)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000294980006 308278306 /nfs/dbraw/zinc/27/83/06/308278306.db2.gz PGQJKRBSPWLUEN-UHFFFAOYSA-N 0 0 338.379 3.264 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000295001151 308280288 /nfs/dbraw/zinc/28/02/88/308280288.db2.gz BXYINWMJIOBUSI-IAQYHMDHSA-N 0 0 348.790 3.168 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295218122 308304290 /nfs/dbraw/zinc/30/42/90/308304290.db2.gz VKOYPNAXHJYKPC-UHFFFAOYSA-N 0 0 344.371 3.053 10 5 EGBERN CCc1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000295594069 308341820 /nfs/dbraw/zinc/34/18/20/308341820.db2.gz PKBHKKUDKVBIQR-UHFFFAOYSA-N 0 0 346.427 3.315 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)CCCC2 ZINC000295621224 308344272 /nfs/dbraw/zinc/34/42/72/308344272.db2.gz JUAITYSTHOJIAI-UHFFFAOYSA-N 0 0 328.372 3.007 10 5 EGBERN COc1cc(C(=O)N2CC3(CC3)c3ccccc32)c([N+](=O)[O-])cc1F ZINC000295858566 308368031 /nfs/dbraw/zinc/36/80/31/308368031.db2.gz OENDLANGVGHUBC-UHFFFAOYSA-N 0 0 342.326 3.435 10 5 EGBERN O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000298241458 308596378 /nfs/dbraw/zinc/59/63/78/308596378.db2.gz JDUHEWCOTJDPMG-CMPLNLGQSA-N 0 0 334.397 3.090 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](C)c1ccccc1C ZINC000299413321 308673645 /nfs/dbraw/zinc/67/36/45/308673645.db2.gz QBLPAEFQMIONCJ-CYBMUJFWSA-N 0 0 330.388 3.018 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(Cl)cc1Cl ZINC000301102255 308688299 /nfs/dbraw/zinc/68/82/99/308688299.db2.gz QTJSJUSYYKFFCH-UHFFFAOYSA-N 0 0 341.154 3.008 10 5 EGBERN CCc1cc(N(C)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301165354 308690398 /nfs/dbraw/zinc/69/03/98/308690398.db2.gz ILPQJJLLKBWGQW-MRXNPFEDSA-N 0 0 342.399 3.229 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000301220698 308692250 /nfs/dbraw/zinc/69/22/50/308692250.db2.gz BIHIVTSQRCXVHU-MRXNPFEDSA-N 0 0 347.321 3.115 10 5 EGBERN NC(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301485695 308702078 /nfs/dbraw/zinc/70/20/78/308702078.db2.gz WXURHNDHYIEIAA-DTWKUNHWSA-N 0 0 331.294 3.070 10 5 EGBERN CCS[C@H]1CC[C@]1(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301503828 308702929 /nfs/dbraw/zinc/70/29/29/308702929.db2.gz YSVYBJNHMIYTCS-HOTGVXAUSA-N 0 0 333.413 3.202 10 5 EGBERN CC1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1 ZINC000301556735 308705072 /nfs/dbraw/zinc/70/50/72/308705072.db2.gz NQKRUTUJVWBIIX-UHFFFAOYSA-N 0 0 334.344 3.193 10 5 EGBERN COc1cc(NCc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1F ZINC000301620656 308707863 /nfs/dbraw/zinc/70/78/63/308707863.db2.gz MSSMKIDIOCZNJG-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000301720540 308712398 /nfs/dbraw/zinc/71/23/98/308712398.db2.gz MJIBSYYCOOMCRK-BMIGLBTASA-N 0 0 342.392 3.209 10 5 EGBERN CC[C@H](Cc1ccccc1)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964141 308723301 /nfs/dbraw/zinc/72/33/01/308723301.db2.gz JKKMDNFZOPUGBV-CQSZACIVSA-N 0 0 325.372 3.095 10 5 EGBERN CC(C)(C)c1nc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)cs1 ZINC000301961086 308723334 /nfs/dbraw/zinc/72/33/34/308723334.db2.gz MNMUHXDELYNHKJ-UHFFFAOYSA-N 0 0 346.416 3.046 10 5 EGBERN Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c(OC(C)C)c1 ZINC000301972264 308723651 /nfs/dbraw/zinc/72/36/51/308723651.db2.gz TVUXWGHNYANECR-UHFFFAOYSA-N 0 0 341.371 3.345 10 5 EGBERN CO[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000301978339 308723895 /nfs/dbraw/zinc/72/38/95/308723895.db2.gz WYCQQULVXOOGGY-GFCCVEGCSA-N 0 0 347.762 3.091 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccc(Cl)cc4)CC3)nn21 ZINC000302016970 308725325 /nfs/dbraw/zinc/72/53/25/308725325.db2.gz YYGBRLPFOAIIDA-UHFFFAOYSA-N 0 0 343.774 3.435 10 5 EGBERN CC(C)C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000302151306 308731041 /nfs/dbraw/zinc/73/10/41/308731041.db2.gz KMBJTAXCGRGOCH-CQSZACIVSA-N 0 0 326.360 3.460 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302155034 308731204 /nfs/dbraw/zinc/73/12/04/308731204.db2.gz DNYWXGPJWGMVCE-UHFFFAOYSA-N 0 0 332.335 3.378 10 5 EGBERN COc1cc(NC[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000302497140 308738300 /nfs/dbraw/zinc/73/83/00/308738300.db2.gz MWSYJOSZKFMLLE-QGZVFWFLSA-N 0 0 338.404 3.355 10 5 EGBERN COC(=O)c1cnc(Nc2cccc([C@@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000302779051 308745237 /nfs/dbraw/zinc/74/52/37/308745237.db2.gz QLCXIUOPNZLEGV-SNVBAGLBSA-N 0 0 331.328 3.227 10 5 EGBERN CCC[C@@]1(COC)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302833186 308747500 /nfs/dbraw/zinc/74/75/00/308747500.db2.gz SCRAFSAUCGCIKD-SFHVURJKSA-N 0 0 347.415 3.265 10 5 EGBERN Cc1c(Br)c(NCCOC(C)(C)C)ncc1[N+](=O)[O-] ZINC000308531707 308762701 /nfs/dbraw/zinc/76/27/01/308762701.db2.gz QJQRGFBFWXWLMY-UHFFFAOYSA-N 0 0 332.198 3.288 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N(C)CC(F)F)cc2[N+](=O)[O-])C1 ZINC000330567544 308796330 /nfs/dbraw/zinc/79/63/30/308796330.db2.gz HBVKCNOJBHMZKO-NSHDSACASA-N 0 0 341.358 3.168 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@]1(F)c1ccccc1 ZINC000412143060 308971273 /nfs/dbraw/zinc/97/12/73/308971273.db2.gz INWYTTIUPKYIMZ-QAPCUYQASA-N 0 0 328.343 3.138 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412376522 308983720 /nfs/dbraw/zinc/98/37/20/308983720.db2.gz IHNQZCXSOUTISE-BVPBIZIASA-N 0 0 346.427 3.266 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413058514 309013980 /nfs/dbraw/zinc/01/39/80/309013980.db2.gz ZLFIUXIWCPSWTL-YTQUADARSA-N 0 0 336.391 3.372 10 5 EGBERN Cn1nc2c(c1CNc1nccc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000413317861 309026651 /nfs/dbraw/zinc/02/66/51/309026651.db2.gz ZLQHGKPAGGYDRX-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC000414969234 309112280 /nfs/dbraw/zinc/11/22/80/309112280.db2.gz SPRKVGVNIMYNEA-UHFFFAOYSA-N 0 0 346.305 3.342 10 5 EGBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416640162 309175669 /nfs/dbraw/zinc/17/56/69/309175669.db2.gz YEFSWHQZADWWGM-UHFFFAOYSA-N 0 0 346.836 3.447 10 5 EGBERN O=C([O-])[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C1CCC1)C1CCC1 ZINC000417661412 309216670 /nfs/dbraw/zinc/21/66/70/309216670.db2.gz RWMDRLYFUHFOQM-KRWDZBQOSA-N 0 0 332.400 3.354 10 5 EGBERN CCc1[nH]nc(-c2nc(Cc3ccc(Cl)cc3C)no2)c1[N+](=O)[O-] ZINC000420495115 309288351 /nfs/dbraw/zinc/28/83/51/309288351.db2.gz UIRZTAHPKLTHNH-UHFFFAOYSA-N 0 0 347.762 3.483 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000420626338 309290752 /nfs/dbraw/zinc/29/07/52/309290752.db2.gz YPTJSHXPOIWBPJ-ZDUSSCGKSA-N 0 0 333.388 3.101 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000421494908 309327132 /nfs/dbraw/zinc/32/71/32/309327132.db2.gz BMMWIVBMTUFUCB-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](C2CCCC2)C1 ZINC000421647474 309332972 /nfs/dbraw/zinc/33/29/72/309332972.db2.gz VKJBYDDPVHYRRF-LBPRGKRZSA-N 0 0 338.354 3.454 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000421742503 309337874 /nfs/dbraw/zinc/33/78/74/309337874.db2.gz SGWFFYMXFVHQGK-UHFFFAOYSA-N 0 0 340.383 3.459 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000421908962 309346050 /nfs/dbraw/zinc/34/60/50/309346050.db2.gz GCEPDGPPTTURMB-NSHDSACASA-N 0 0 345.424 3.339 10 5 EGBERN COc1cc(CN[C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192483 309432441 /nfs/dbraw/zinc/43/24/41/309432441.db2.gz IZDJNUVPFYWQGI-ROUUACIJSA-N 0 0 346.358 3.339 10 5 EGBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425148327 309467600 /nfs/dbraw/zinc/46/76/00/309467600.db2.gz XZWPVGBLLRWHKA-ZSBIGDGJSA-N 0 0 329.381 3.247 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1Oc1cc(C)c([N+](=O)[O-])cn1 ZINC000425275954 309471004 /nfs/dbraw/zinc/47/10/04/309471004.db2.gz OOQIDDSBGTWNLH-HSZRJFAPSA-N 0 0 336.369 3.145 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1CCC[C@@H](F)C1 ZINC000425410573 309478738 /nfs/dbraw/zinc/47/87/38/309478738.db2.gz CKPYIYZRQPJTLS-WDEREUQCSA-N 0 0 338.335 3.223 10 5 EGBERN COc1ccnc(N(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000425623544 309488337 /nfs/dbraw/zinc/48/83/37/309488337.db2.gz UBBDIXOXWABJCM-UHFFFAOYSA-N 0 0 329.356 3.398 10 5 EGBERN COC(=O)c1cncnc1/C=C\c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000427266171 309526133 /nfs/dbraw/zinc/52/61/33/309526133.db2.gz HZOAKJZJLJIBPH-ALCCZGGFSA-N 0 0 327.340 3.465 10 5 EGBERN CCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1Cl ZINC000427272554 309526163 /nfs/dbraw/zinc/52/61/63/309526163.db2.gz JIXKCYISUUCUBG-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN Cc1cc(Oc2ccc([N+](=O)[O-])c(CO)c2)nc(-c2ccncc2)n1 ZINC000428662011 309558116 /nfs/dbraw/zinc/55/81/16/309558116.db2.gz WXMGEZRWWGAJSS-UHFFFAOYSA-N 0 0 338.323 3.040 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@@H]2CC23CCCC3)c(C)c([N+](=O)[O-])c1 ZINC000429631698 309586576 /nfs/dbraw/zinc/58/65/76/309586576.db2.gz PFYVJBMXJNTIMH-CQSZACIVSA-N 0 0 347.371 3.144 10 5 EGBERN Cc1cc(OCC(=O)N2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000430677217 309614675 /nfs/dbraw/zinc/61/46/75/309614675.db2.gz JCLYOUIVZLGEOC-UHFFFAOYSA-N 0 0 332.400 3.465 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430813032 309618253 /nfs/dbraw/zinc/61/82/53/309618253.db2.gz HFORDHAWCAOLMN-CMPLNLGQSA-N 0 0 346.305 3.081 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1F ZINC000431166637 309627033 /nfs/dbraw/zinc/62/70/33/309627033.db2.gz KBRDMKUBZJWJQA-UHFFFAOYSA-N 0 0 346.286 3.121 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3c(Cl)cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000432169865 309654009 /nfs/dbraw/zinc/65/40/09/309654009.db2.gz NNCPSVQVHZNZOH-GFCCVEGCSA-N 0 0 349.822 3.371 10 5 EGBERN NC(=O)c1ccc(N2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000432832820 309670230 /nfs/dbraw/zinc/67/02/30/309670230.db2.gz RWEZTPCEMRZINL-UHFFFAOYSA-N 0 0 343.358 3.159 10 5 EGBERN Cc1nc([C@@](C)(NCc2c(Cl)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000433306046 309685424 /nfs/dbraw/zinc/68/54/24/309685424.db2.gz POVLFBRJEGDSIY-HNNXBMFYSA-N 0 0 336.779 3.355 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000433868445 309698657 /nfs/dbraw/zinc/69/86/57/309698657.db2.gz HRUDICHAKGPQJF-JTQLQIEISA-N 0 0 345.330 3.183 10 5 EGBERN CC(C)n1cc2c(n1)C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000434943721 309722527 /nfs/dbraw/zinc/72/25/27/309722527.db2.gz RHWCVVWVCLIZAG-LBPRGKRZSA-N 0 0 335.795 3.390 10 5 EGBERN COc1cc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])cc(OC)c1 ZINC000434959980 309722753 /nfs/dbraw/zinc/72/27/53/309722753.db2.gz YOXSZAFIKJKPMD-UHFFFAOYSA-N 0 0 337.763 3.297 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455109256 310344983 /nfs/dbraw/zinc/34/49/83/310344983.db2.gz YAUJOZWSSNPFEA-LLVKDONJSA-N 0 0 347.293 3.303 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H](C)O1 ZINC000437913937 309803228 /nfs/dbraw/zinc/80/32/28/309803228.db2.gz GYQZAGSSRDRQFI-UTLUCORTSA-N 0 0 327.768 3.278 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443212317 309897272 /nfs/dbraw/zinc/89/72/72/309897272.db2.gz MGLKHNFYGFSIRE-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN CO[C@@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000443233332 309897488 /nfs/dbraw/zinc/89/74/88/309897488.db2.gz JLUKRRIHICNVTN-LBPRGKRZSA-N 0 0 340.445 3.498 10 5 EGBERN Cc1cc(NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446264232 309959120 /nfs/dbraw/zinc/95/91/20/309959120.db2.gz GKSZRBWQVUUIQP-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446534619 309963449 /nfs/dbraw/zinc/96/34/49/309963449.db2.gz BMJXDOVSYXFZTE-IBGZPJMESA-N 0 0 340.379 3.164 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(c1ncncc1Br)C1CC1 ZINC000446978433 309972166 /nfs/dbraw/zinc/97/21/66/309972166.db2.gz CLDDLPUKVSEPJV-UHFFFAOYSA-N 0 0 349.188 3.316 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCc1ccccn1 ZINC000447817317 309989633 /nfs/dbraw/zinc/98/96/33/309989633.db2.gz PSPCXLUYMOVZAN-UHFFFAOYSA-N 0 0 349.774 3.475 10 5 EGBERN Cc1cnc(CCCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000450061207 310101323 /nfs/dbraw/zinc/10/13/23/310101323.db2.gz YAYOABZBWFYFNO-ZDUSSCGKSA-N 0 0 331.372 3.400 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1F ZINC000450157589 310106302 /nfs/dbraw/zinc/10/63/02/310106302.db2.gz OKAOZBXMTRZOTJ-QMMMGPOBSA-N 0 0 332.278 3.050 10 5 EGBERN CN(CC(=O)NC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450227506 310109630 /nfs/dbraw/zinc/10/96/30/310109630.db2.gz QLRVHSQCWWLPNW-UHFFFAOYSA-N 0 0 348.428 3.069 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@@H]1CCCCO1 ZINC000450267229 310112041 /nfs/dbraw/zinc/11/20/41/310112041.db2.gz BOPLJSDQAVTQPF-ZDUSSCGKSA-N 0 0 331.372 3.157 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000450333094 310116007 /nfs/dbraw/zinc/11/60/07/310116007.db2.gz WNGSADZYJJOPSH-PIGZYNQJSA-N 0 0 346.408 3.344 10 5 EGBERN CCCN(CC(=O)Nc1ccccc1C)c1ccc([N+](=O)[O-])nc1 ZINC000450390034 310119677 /nfs/dbraw/zinc/11/96/77/310119677.db2.gz KREFKZVGDQEMGP-UHFFFAOYSA-N 0 0 328.372 3.153 10 5 EGBERN O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000450429072 310122012 /nfs/dbraw/zinc/12/20/12/310122012.db2.gz YMDMPMYELWHWDU-CQSZACIVSA-N 0 0 329.331 3.371 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000450685627 310137214 /nfs/dbraw/zinc/13/72/14/310137214.db2.gz SVGZSXIRFLGVQX-SCRDCRAPSA-N 0 0 325.796 3.163 10 5 EGBERN Cc1c(CNC(=O)c2cccc3c2O[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000451128774 310161945 /nfs/dbraw/zinc/16/19/45/310161945.db2.gz KDDQNAKXUNMLPC-LLVKDONJSA-N 0 0 326.352 3.157 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451974934 310206158 /nfs/dbraw/zinc/20/61/58/310206158.db2.gz JUMSUORTXRXDGZ-HNNXBMFYSA-N 0 0 348.380 3.104 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000452208844 310218721 /nfs/dbraw/zinc/21/87/21/310218721.db2.gz QBOFHZXYMQUPTE-AWEZNQCLSA-N 0 0 332.278 3.160 10 5 EGBERN Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452599914 310234066 /nfs/dbraw/zinc/23/40/66/310234066.db2.gz VFRZPYWNDXERPR-BZPMIXESSA-N 0 0 338.429 3.120 10 5 EGBERN Cc1cccnc1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000452834711 310244490 /nfs/dbraw/zinc/24/44/90/310244490.db2.gz ZAXAXYHCVNQALC-ZDUSSCGKSA-N 0 0 345.424 3.138 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)O1 ZINC000453230691 310265605 /nfs/dbraw/zinc/26/56/05/310265605.db2.gz DLYFBLZWUKFOBS-FEUHOPSXSA-N 0 0 344.371 3.489 10 5 EGBERN C[C@H]1CCN(c2cc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)ccn2)C1 ZINC000453248277 310266604 /nfs/dbraw/zinc/26/66/04/310266604.db2.gz BWAPVDSHLKRDLJ-JTQLQIEISA-N 0 0 341.327 3.146 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000454128464 310293668 /nfs/dbraw/zinc/29/36/68/310293668.db2.gz BXLWYYPFLZCNGF-AWEZNQCLSA-N 0 0 349.387 3.026 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000455215251 310350604 /nfs/dbraw/zinc/35/06/04/310350604.db2.gz GHVUBXKUPKQMRA-RCBQFDQVSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000455244470 310351947 /nfs/dbraw/zinc/35/19/47/310351947.db2.gz KGLJHLLHQPOKKY-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN C[C@@H](CCO)CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455401060 310359012 /nfs/dbraw/zinc/35/90/12/310359012.db2.gz DCJMFSHSHWJDGZ-GFCCVEGCSA-N 0 0 337.420 3.422 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455495814 310363944 /nfs/dbraw/zinc/36/39/44/310363944.db2.gz ASXNAOZVJOWITD-XFBWCDHKSA-N 0 0 335.404 3.159 10 5 EGBERN O=C(NC1(CF)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000456040173 310386036 /nfs/dbraw/zinc/38/60/36/310386036.db2.gz ANPGWIKDXWOIHX-UHFFFAOYSA-N 0 0 338.360 3.058 10 5 EGBERN COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456103040 310388665 /nfs/dbraw/zinc/38/86/65/310388665.db2.gz AUYPFOKLJKNNLK-UWVGGRQHSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(C1CCC(=O)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456135063 310390031 /nfs/dbraw/zinc/39/00/31/310390031.db2.gz HDMIJAQRGHWONK-OAHLLOKOSA-N 0 0 330.384 3.060 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456149067 310390683 /nfs/dbraw/zinc/39/06/83/310390683.db2.gz SDYRVXKPRQKJPO-RDJZCZTQSA-N 0 0 348.443 3.488 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456581112 310413342 /nfs/dbraw/zinc/41/33/42/310413342.db2.gz YQJYFVNUQNLTSW-QGZVFWFLSA-N 0 0 342.351 3.320 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000456603811 310414543 /nfs/dbraw/zinc/41/45/43/310414543.db2.gz XAPRAUJFNXBHNX-MRXNPFEDSA-N 0 0 325.368 3.296 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(C)C)cn2)n1 ZINC000456787698 310422440 /nfs/dbraw/zinc/42/24/40/310422440.db2.gz RGYSAZLJKFCPJM-UHFFFAOYSA-N 0 0 331.376 3.047 10 5 EGBERN CCO[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456956207 310429824 /nfs/dbraw/zinc/42/98/24/310429824.db2.gz FPGKOZCDVZPJSK-HZPDHXFCSA-N 0 0 331.372 3.154 10 5 EGBERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000458263282 310495011 /nfs/dbraw/zinc/49/50/11/310495011.db2.gz DUFBENQATDIIRH-ZDUSSCGKSA-N 0 0 330.359 3.366 10 5 EGBERN CCOC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459504889 310557063 /nfs/dbraw/zinc/55/70/63/310557063.db2.gz HXXQWGVBELXMRO-ZDUSSCGKSA-N 0 0 337.376 3.026 10 5 EGBERN O=[N+]([O-])c1cc(CN2CC(CCO)C2)ccc1Oc1ccc(F)cc1 ZINC000459599757 310563762 /nfs/dbraw/zinc/56/37/62/310563762.db2.gz ZVNUZLOSFYSZGD-UHFFFAOYSA-N 0 0 346.358 3.340 10 5 EGBERN CCOCc1nc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000459893045 310577661 /nfs/dbraw/zinc/57/76/61/310577661.db2.gz BCWRBFRRLITSQP-UHFFFAOYSA-N 0 0 335.385 3.173 10 5 EGBERN COc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000460463919 310583425 /nfs/dbraw/zinc/58/34/25/310583425.db2.gz ZBUFNZBCHPIDRZ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CCc1cc(SC[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462108655 310595571 /nfs/dbraw/zinc/59/55/71/310595571.db2.gz GUVFTCQTDXMGOJ-LLVKDONJSA-N 0 0 333.413 3.335 10 5 EGBERN CCCOc1ccc(Br)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000462354453 310598664 /nfs/dbraw/zinc/59/86/64/310598664.db2.gz CXWSCKQQUGNMHI-UHFFFAOYSA-N 0 0 340.177 3.391 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000462492970 310600586 /nfs/dbraw/zinc/60/05/86/310600586.db2.gz HOOVEGVEALSNCU-GJZGRUSLSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c2cc([N+](=O)[O-])ccc2n1 ZINC000462563474 310601720 /nfs/dbraw/zinc/60/17/20/310601720.db2.gz XUDRPJOIPFXPMB-LAQFHYBYSA-N 0 0 325.368 3.248 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000462954953 310608007 /nfs/dbraw/zinc/60/80/07/310608007.db2.gz SPEJHCNERVGOHX-JRKPZEMJSA-N 0 0 343.305 3.035 10 5 EGBERN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)C1CCOCC1 ZINC000474780349 310799160 /nfs/dbraw/zinc/79/91/60/310799160.db2.gz KZCPHODLIOYKEX-OAHLLOKOSA-N 0 0 336.388 3.307 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000479512217 310876534 /nfs/dbraw/zinc/87/65/34/310876534.db2.gz PSMSLUNGCKTNDC-JOCQHMNTSA-N 0 0 336.388 3.067 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000480073289 310888912 /nfs/dbraw/zinc/88/89/12/310888912.db2.gz WFWCXPWGILAJJU-YVEFUNNKSA-N 0 0 338.367 3.438 10 5 EGBERN CCOc1ccc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000482594311 310934406 /nfs/dbraw/zinc/93/44/06/310934406.db2.gz XALRVAYBXCRBLB-AWEZNQCLSA-N 0 0 346.305 3.454 10 5 EGBERN C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000488076162 311050341 /nfs/dbraw/zinc/05/03/41/311050341.db2.gz DTAHQBWTPWWTBW-GUYCJALGSA-N 0 0 337.383 3.427 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCCNc1ccccn1 ZINC000488092796 311051140 /nfs/dbraw/zinc/05/11/40/311051140.db2.gz RRTOXTXDBLODRY-UHFFFAOYSA-N 0 0 337.383 3.264 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000488245223 311057880 /nfs/dbraw/zinc/05/78/80/311057880.db2.gz BESJVRSYWKYWLS-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000488787768 311080117 /nfs/dbraw/zinc/08/01/17/311080117.db2.gz AOCYSMMCBGWTDM-CVEARBPZSA-N 0 0 340.445 3.229 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2cc(F)ccc2[nH]1 ZINC000488915554 311084460 /nfs/dbraw/zinc/08/44/60/311084460.db2.gz KOMVONKELNXBHF-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000488966093 311086992 /nfs/dbraw/zinc/08/69/92/311086992.db2.gz AVGVFPAWVDTTNN-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000493235634 311347433 /nfs/dbraw/zinc/34/74/33/311347433.db2.gz ICUWMEKJALMGLZ-LBPRGKRZSA-N 0 0 343.387 3.247 10 5 EGBERN Cc1nn([C@H](C)C(=O)N2CCSc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000494079932 311455233 /nfs/dbraw/zinc/45/52/33/311455233.db2.gz PNWRIUYNKGTOPH-GFCCVEGCSA-N 0 0 346.412 3.108 10 5 EGBERN C[C@H](CO)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000494701054 311505042 /nfs/dbraw/zinc/50/50/42/311505042.db2.gz DWXNWJIGANJUDJ-OLZOCXBDSA-N 0 0 343.383 3.085 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503430567 311987051 /nfs/dbraw/zinc/98/70/51/311987051.db2.gz SDRJYHYXSBVPKG-OAHLLOKOSA-N 0 0 340.445 3.122 10 5 EGBERN C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000504484431 312007053 /nfs/dbraw/zinc/00/70/53/312007053.db2.gz SORYGJONCIMVKI-LLVKDONJSA-N 0 0 340.426 3.128 10 5 EGBERN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000504567731 312008193 /nfs/dbraw/zinc/00/81/93/312008193.db2.gz HKQNBJWAIZUZTR-INIZCTEOSA-N 0 0 333.432 3.288 10 5 EGBERN CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000508176096 312090043 /nfs/dbraw/zinc/09/00/43/312090043.db2.gz VLULJSVFCBHMNH-ZDUSSCGKSA-N 0 0 327.388 3.183 10 5 EGBERN C[C@H]1CCC[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514965966 312256907 /nfs/dbraw/zinc/25/69/07/312256907.db2.gz OALBEJCBLMFYGU-QWRGUYRKSA-N 0 0 326.343 3.453 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000523405012 312618384 /nfs/dbraw/zinc/61/83/84/312618384.db2.gz NXCNRQCVXXZTJV-CQSZACIVSA-N 0 0 327.384 3.235 10 5 EGBERN COC(=O)c1cc(C(=O)NCC[C@H]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524551027 312665200 /nfs/dbraw/zinc/66/52/00/312665200.db2.gz SQDXRYYKXIRAAQ-QWHCGFSZSA-N 0 0 348.399 3.328 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000525042505 312693622 /nfs/dbraw/zinc/69/36/22/312693622.db2.gz XOKCOBLDRSJFPI-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@H]1C[C@H](C)N1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000525934104 312770260 /nfs/dbraw/zinc/77/02/60/312770260.db2.gz AIHDQARFTXRLQX-IUCAKERBSA-N 0 0 331.294 3.306 10 5 EGBERN O=C(NC1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531624280 313692145 /nfs/dbraw/zinc/69/21/45/313692145.db2.gz LEWRVCYBPVLKFF-UHFFFAOYSA-N 0 0 325.368 3.446 10 5 EGBERN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531882448 313725575 /nfs/dbraw/zinc/72/55/75/313725575.db2.gz HELBTEZBIAARAZ-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cn1 ZINC000532137634 313759364 /nfs/dbraw/zinc/75/93/64/313759364.db2.gz SPGZARFCKCRNGH-UHFFFAOYSA-N 0 0 348.771 3.183 10 5 EGBERN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144501 313760806 /nfs/dbraw/zinc/76/08/06/313760806.db2.gz YZNGBFZIGLXLJU-VIFPVBQESA-N 0 0 333.294 3.028 10 5 EGBERN Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1[N+](=O)[O-] ZINC000537450258 314182346 /nfs/dbraw/zinc/18/23/46/314182346.db2.gz UTZCQNKJUQHVHK-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN O=C(Cc1ccc2ccccc2c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537578107 314190195 /nfs/dbraw/zinc/19/01/95/314190195.db2.gz MCRNBUZVSMOFAI-UHFFFAOYSA-N 0 0 347.374 3.270 10 5 EGBERN Cc1cccc(CN2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000541007389 314429190 /nfs/dbraw/zinc/42/91/90/314429190.db2.gz XQDVRULNVQXMQU-UHFFFAOYSA-N 0 0 340.427 3.237 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000542863113 314588154 /nfs/dbraw/zinc/58/81/54/314588154.db2.gz AONJFIBDJYKTGH-MRXNPFEDSA-N 0 0 327.384 3.055 10 5 EGBERN CC(C)N(CC1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543771163 314655805 /nfs/dbraw/zinc/65/58/05/314655805.db2.gz RGLYGCFBLKAWBN-UHFFFAOYSA-N 0 0 328.315 3.457 10 5 EGBERN CNc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1[N+](=O)[O-] ZINC000547846322 314947172 /nfs/dbraw/zinc/94/71/72/314947172.db2.gz SPAJBPCFJJPXGI-UHFFFAOYSA-N 0 0 337.379 3.324 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000548334294 314995884 /nfs/dbraw/zinc/99/58/84/314995884.db2.gz XJLDTYNJQCTRGW-ZDUSSCGKSA-N 0 0 342.399 3.130 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000548751273 315042698 /nfs/dbraw/zinc/04/26/98/315042698.db2.gz PTLNRQPMWKTFFJ-RDTXWAMCSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OC(F)F)C1 ZINC000548945826 315064969 /nfs/dbraw/zinc/06/49/69/315064969.db2.gz HBIUIUDLLHYITO-QMMMGPOBSA-N 0 0 335.694 3.094 10 5 EGBERN CCc1ccc(OC[C@@H](O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000550207569 315120045 /nfs/dbraw/zinc/12/00/45/315120045.db2.gz JSXKZYGBJQGYOB-HNNXBMFYSA-N 0 0 331.368 3.284 10 5 EGBERN O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000551374810 315152138 /nfs/dbraw/zinc/15/21/38/315152138.db2.gz QXERHDUHGVRXNZ-UHFFFAOYSA-N 0 0 331.759 3.452 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000553339876 315258659 /nfs/dbraw/zinc/25/86/59/315258659.db2.gz SPMXFWAVZALGSF-LBPRGKRZSA-N 0 0 335.404 3.490 10 5 EGBERN O=C(CCCC(F)(F)F)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558263281 315557667 /nfs/dbraw/zinc/55/76/67/315557667.db2.gz MSUVSJXGXKNPNU-UHFFFAOYSA-N 0 0 343.305 3.467 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000558787766 315602558 /nfs/dbraw/zinc/60/25/58/315602558.db2.gz ZVIKURYQAPNHCU-CLLJXQQHSA-N 0 0 336.388 3.387 10 5 EGBERN C[C@@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000562400621 315828993 /nfs/dbraw/zinc/82/89/93/315828993.db2.gz VKUGTURUZDYVKR-LLVKDONJSA-N 0 0 337.339 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)nc1 ZINC000564285996 316130709 /nfs/dbraw/zinc/13/07/09/316130709.db2.gz BMOQSDILWMSHAM-UHFFFAOYSA-N 0 0 337.217 3.121 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2sc(Cl)cc2C1 ZINC000564903527 316230138 /nfs/dbraw/zinc/23/01/38/316230138.db2.gz SXPMNJFQDGZUIH-UHFFFAOYSA-N 0 0 326.809 3.397 10 5 EGBERN CC1(CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000566524732 316490937 /nfs/dbraw/zinc/49/09/37/316490937.db2.gz VTZKXZUXUKJUDW-UHFFFAOYSA-N 0 0 330.388 3.108 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC1=CCCC1 ZINC000568553995 316790801 /nfs/dbraw/zinc/79/08/01/316790801.db2.gz HJEJIBWTKFDGNF-UHFFFAOYSA-N 0 0 342.399 3.418 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ncc(-c4ccccc4)o3)nc2c1 ZINC000569193483 316878876 /nfs/dbraw/zinc/87/88/76/316878876.db2.gz PUGNLZKIGNHTDL-UHFFFAOYSA-N 0 0 335.323 3.160 10 5 EGBERN COC(=O)c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000569571252 316933498 /nfs/dbraw/zinc/93/34/98/316933498.db2.gz GMOJBWWHDMNPOK-UHFFFAOYSA-N 0 0 328.324 3.448 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000571292152 317179912 /nfs/dbraw/zinc/17/99/12/317179912.db2.gz ZLEDHHJAMDRODV-SJKOYZFVSA-N 0 0 346.358 3.203 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000571377228 317189736 /nfs/dbraw/zinc/18/97/36/317189736.db2.gz MGSSIRVPDRZUFK-AWEZNQCLSA-N 0 0 335.310 3.189 10 5 EGBERN COc1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)ccc1O ZINC000571794024 317248606 /nfs/dbraw/zinc/24/86/06/317248606.db2.gz HQGSGKWLMXVVDU-UHFFFAOYSA-N 0 0 329.356 3.195 10 5 EGBERN CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CCS1 ZINC000572381201 317332001 /nfs/dbraw/zinc/33/20/01/317332001.db2.gz FLIYZLBRNOYMAI-CQSZACIVSA-N 0 0 347.444 3.205 10 5 EGBERN CC(=O)Nc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000572398000 317333228 /nfs/dbraw/zinc/33/32/28/317333228.db2.gz ULXWNHXEDNCICA-UHFFFAOYSA-N 0 0 340.383 3.439 10 5 EGBERN O=C(NCCOCC1CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573859254 317536327 /nfs/dbraw/zinc/53/63/27/317536327.db2.gz YDNXMHOHFCEZKV-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1cc(OCC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1[N+](=O)[O-] ZINC000574901141 317649549 /nfs/dbraw/zinc/64/95/49/317649549.db2.gz NKEULAQBUPGQNM-PJPHBNEVSA-N 0 0 344.411 3.319 10 5 EGBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000171313513 323229255 /nfs/dbraw/zinc/22/92/55/323229255.db2.gz DOYTXKCHFYWNHB-OAHLLOKOSA-N 0 0 334.759 3.366 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172074537 323268781 /nfs/dbraw/zinc/26/87/81/323268781.db2.gz XKWHEKPLMXZPBH-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000179444502 323388649 /nfs/dbraw/zinc/38/86/49/323388649.db2.gz RFAAISVGNDGQMI-DIFFPNOSSA-N 0 0 325.368 3.352 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCC(C)(C)O3)n2)ccc1[N+](=O)[O-] ZINC000350175573 324059656 /nfs/dbraw/zinc/05/96/56/324059656.db2.gz ALBPWNFJMFKOKI-LBPRGKRZSA-N 0 0 333.344 3.207 10 5 EGBERN CC(=Cc1nc(-c2n[nH]c(C3CC3)n2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000351159003 324184587 /nfs/dbraw/zinc/18/45/87/324184587.db2.gz QTAYLDZDWQSEFO-HJWRWDBZSA-N 0 0 338.327 3.201 10 5 EGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)C(C)(C)C ZINC000311961721 456590413 /nfs/dbraw/zinc/59/04/13/456590413.db2.gz PBOSOSHAOFWVBL-LLVKDONJSA-N 0 0 332.194 3.452 10 5 EGBERN Cc1nc(N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000576699193 324665865 /nfs/dbraw/zinc/66/58/65/324665865.db2.gz JYPGLTMKYSYBDP-WCQYABFASA-N 0 0 335.404 3.102 10 5 EGBERN O=C([C@H]1CCCOCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000577975597 324897466 /nfs/dbraw/zinc/89/74/66/324897466.db2.gz KAMIDASZLQUNIQ-HOTGVXAUSA-N 0 0 332.400 3.118 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)ccc1[N+](=O)[O-] ZINC000579698064 325146392 /nfs/dbraw/zinc/14/63/92/325146392.db2.gz AFFZXWCGRPZXIU-XQQFMLRXSA-N 0 0 329.356 3.481 10 5 EGBERN C[C@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579731503 325152985 /nfs/dbraw/zinc/15/29/85/325152985.db2.gz LMGILIXTOJEYLS-ZDUSSCGKSA-N 0 0 349.406 3.339 10 5 EGBERN CC(C)CO[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000580666143 325280918 /nfs/dbraw/zinc/28/09/18/325280918.db2.gz CWPSBWLILWLBQH-VIFPVBQESA-N 0 0 345.193 3.357 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CCO)CC(C)C ZINC000183224475 455255204 /nfs/dbraw/zinc/25/52/04/455255204.db2.gz DPLSPONKDFECHM-WSYSLRRZSA-N 0 0 334.416 3.159 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(-c2cccnc2)s1 ZINC000000147929 452520743 /nfs/dbraw/zinc/52/07/43/452520743.db2.gz WEISVGDFBPZSRJ-UHFFFAOYSA-N 0 0 328.353 3.106 10 5 EGBERN CC1(C)CCC[C@@]2(C1)NC(=O)N(CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000600697820 460572876 /nfs/dbraw/zinc/57/28/76/460572876.db2.gz VOWKKGBECYPCKB-SFHVURJKSA-N 0 0 345.399 3.028 10 5 EGBERN O=C(CCC(=O)c1ccc(F)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000005559503 452885098 /nfs/dbraw/zinc/88/50/98/452885098.db2.gz IOZXCYPGUHPDQE-UHFFFAOYSA-N 0 0 331.299 3.440 10 5 EGBERN CC1(C)CCC[C@@]2(C1)NC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C2=O ZINC000600692893 460571146 /nfs/dbraw/zinc/57/11/46/460571146.db2.gz OESRBETUHBPZGC-SFHVURJKSA-N 0 0 345.399 3.028 10 5 EGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000007982940 453144278 /nfs/dbraw/zinc/14/42/78/453144278.db2.gz MHHGOXUVDMHPQQ-GFCCVEGCSA-N 0 0 343.449 3.082 10 5 EGBERN C[C@H]1CN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012561406 453377220 /nfs/dbraw/zinc/37/72/20/453377220.db2.gz PYKLZXYTJNPTMF-QWRGUYRKSA-N 0 0 347.337 3.135 10 5 EGBERN Cc1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000012622430 453386787 /nfs/dbraw/zinc/38/67/87/453386787.db2.gz XHNOIWCAJUMERO-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012639733 453388976 /nfs/dbraw/zinc/38/89/76/453388976.db2.gz CHOOCQPBPLAXCI-OAHLLOKOSA-N 0 0 333.727 3.295 10 5 EGBERN COc1ccc(CCCN(C)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC000015118157 453558991 /nfs/dbraw/zinc/55/89/91/453558991.db2.gz SSOAJSLQNYHKBQ-UHFFFAOYSA-N 0 0 331.372 3.076 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015178707 453560739 /nfs/dbraw/zinc/56/07/39/453560739.db2.gz JUOCTONPRYGCAR-LBPRGKRZSA-N 0 0 341.367 3.386 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600805497 460611343 /nfs/dbraw/zinc/61/13/43/460611343.db2.gz SAXJPMDTMCDFKL-GFCCVEGCSA-N 0 0 325.368 3.453 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC12CC2 ZINC000600807189 460611383 /nfs/dbraw/zinc/61/13/83/460611383.db2.gz YHOHNOAJSBTMQY-CYBMUJFWSA-N 0 0 327.384 3.315 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000022555827 453694237 /nfs/dbraw/zinc/69/42/37/453694237.db2.gz HGFPOVNVGJGKAY-MNOVXSKESA-N 0 0 346.305 3.211 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccn3)cc2[N+](=O)[O-])C1 ZINC000027653698 453819711 /nfs/dbraw/zinc/81/97/11/453819711.db2.gz PROIWCYJIJQUOQ-ZDUSSCGKSA-N 0 0 340.383 3.478 10 5 EGBERN COc1ccc(CNc2ccncc2[N+](=O)[O-])cc1OC(F)F ZINC000066808616 453875883 /nfs/dbraw/zinc/87/58/83/453875883.db2.gz STWHVIDULUXMJF-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN COc1ccc(Nc2ccncc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000066808791 453875950 /nfs/dbraw/zinc/87/59/50/453875950.db2.gz DIJZROQRYHQXAM-UHFFFAOYSA-N 0 0 342.355 3.259 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000075291657 453876161 /nfs/dbraw/zinc/87/61/61/453876161.db2.gz RKSBZFPHRDUVLK-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN CCOC(=O)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000032906124 453896588 /nfs/dbraw/zinc/89/65/88/453896588.db2.gz PDAAJVOAOCHZHZ-UHFFFAOYSA-N 0 0 327.296 3.217 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1ccccc1 ZINC000067513891 453937465 /nfs/dbraw/zinc/93/74/65/453937465.db2.gz LGKKBTNKIUSXLN-HOCLYGCPSA-N 0 0 325.368 3.069 10 5 EGBERN CC(C)NC(=O)Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000076061777 453955819 /nfs/dbraw/zinc/95/58/19/453955819.db2.gz ZZDYVAINNGWLFW-UHFFFAOYSA-N 0 0 333.413 3.336 10 5 EGBERN COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000067791794 453966281 /nfs/dbraw/zinc/96/62/81/453966281.db2.gz BLPSGUQZZQCUTN-UHFFFAOYSA-N 0 0 348.786 3.458 10 5 EGBERN O=C(N[C@@H]1CCOc2ccccc21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067803873 453967804 /nfs/dbraw/zinc/96/78/04/453967804.db2.gz ZPBNXBLEEUBYTJ-CYBMUJFWSA-N 0 0 334.278 3.127 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000084086188 453968166 /nfs/dbraw/zinc/96/81/66/453968166.db2.gz AVHVAWRSNZFRNZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067812470 453968426 /nfs/dbraw/zinc/96/84/26/453968426.db2.gz IIMIGDFUVWBQSJ-MSOLQXFVSA-N 0 0 339.395 3.459 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000055458098 453986593 /nfs/dbraw/zinc/98/65/93/453986593.db2.gz WIGMAKKCZCDLPK-CQSZACIVSA-N 0 0 347.758 3.205 10 5 EGBERN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000056048042 454035238 /nfs/dbraw/zinc/03/52/38/454035238.db2.gz QXMGDNZQOMYJQY-LBPRGKRZSA-N 0 0 343.358 3.087 10 5 EGBERN CC(=O)c1ccc(N[C@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000068770233 454052050 /nfs/dbraw/zinc/05/20/50/454052050.db2.gz GWTJMDUFAHURCN-INIZCTEOSA-N 0 0 339.351 3.015 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000069285233 454092149 /nfs/dbraw/zinc/09/21/49/454092149.db2.gz HKSFCKVSMVYLSN-GHMZBOCLSA-N 0 0 334.401 3.481 10 5 EGBERN CNc1ccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000077334531 454092772 /nfs/dbraw/zinc/09/27/72/454092772.db2.gz GGRSNBMSFMOVGL-OAHLLOKOSA-N 0 0 341.367 3.117 10 5 EGBERN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000045154132 454142571 /nfs/dbraw/zinc/14/25/71/454142571.db2.gz WCNWTZWRQDKFSA-UHFFFAOYSA-N 0 0 334.353 3.394 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NC1CCCCC1 ZINC000057812521 454148545 /nfs/dbraw/zinc/14/85/45/454148545.db2.gz INKAITQGGDAKPJ-UHFFFAOYSA-N 0 0 346.305 3.441 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000077734048 454149370 /nfs/dbraw/zinc/14/93/70/454149370.db2.gz OCYSEELMKXYFQR-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN CCOC(=O)c1ccnc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000077937742 454171663 /nfs/dbraw/zinc/17/16/63/454171663.db2.gz IWWXGJMZKXLDOC-VTXSZYRJSA-N 0 0 345.399 3.181 10 5 EGBERN COc1ccc(OC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000191011575 455424212 /nfs/dbraw/zinc/42/42/12/455424212.db2.gz TYFGMITVTZLJNM-HWPZZCPQSA-N 0 0 329.308 3.074 10 5 EGBERN CC(C)COC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000130235782 454183279 /nfs/dbraw/zinc/18/32/79/454183279.db2.gz GPORVAOROSPKTR-UHFFFAOYSA-N 0 0 345.399 3.353 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1cc(F)ccc1F ZINC000130255314 454184455 /nfs/dbraw/zinc/18/44/55/454184455.db2.gz SGYSWEDZKPHFMC-OAHLLOKOSA-N 0 0 335.310 3.458 10 5 EGBERN CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000078149454 454201936 /nfs/dbraw/zinc/20/19/36/454201936.db2.gz CAGMQROVVAQNQT-LBPRGKRZSA-N 0 0 329.356 3.283 10 5 EGBERN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000078183104 454208147 /nfs/dbraw/zinc/20/81/47/454208147.db2.gz BTGWRUITKRJJAF-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN CCOc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000078182604 454208220 /nfs/dbraw/zinc/20/82/20/454208220.db2.gz SJNSHNKLSVEKAL-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000078229970 454213089 /nfs/dbraw/zinc/21/30/89/454213089.db2.gz RBGONOBMMHJQMJ-AWEZNQCLSA-N 0 0 328.368 3.409 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1O ZINC000612449149 460631683 /nfs/dbraw/zinc/63/16/83/460631683.db2.gz HEJICIDDGPDDAP-WCQYABFASA-N 0 0 344.358 3.430 10 5 EGBERN Cc1nc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000120421423 454300633 /nfs/dbraw/zinc/30/06/33/454300633.db2.gz JKGUUIBIJCSFOY-CYBMUJFWSA-N 0 0 348.790 3.394 10 5 EGBERN CC[C@H](NC(=O)c1cn(CCC(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000090466907 454309494 /nfs/dbraw/zinc/30/94/94/454309494.db2.gz VWWWAXWUERXUPL-HNNXBMFYSA-N 0 0 345.403 3.114 10 5 EGBERN CC[C@H](NC(=O)NCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000090560867 454322947 /nfs/dbraw/zinc/32/29/47/454322947.db2.gz MNLQGADRTURIJH-HNNXBMFYSA-N 0 0 328.372 3.249 10 5 EGBERN Cc1cccc(-n2nnnc2SCc2csc([N+](=O)[O-])c2)c1 ZINC000047171897 454335882 /nfs/dbraw/zinc/33/58/82/454335882.db2.gz WEPMDAXMGOHWEF-UHFFFAOYSA-N 0 0 333.398 3.233 10 5 EGBERN C[C@@H]1C(=O)N(Cc2csc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000047172042 454335951 /nfs/dbraw/zinc/33/59/51/454335951.db2.gz FTVSYXVHPKLQTN-SECBINFHSA-N 0 0 349.343 3.153 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132413524 454336638 /nfs/dbraw/zinc/33/66/38/454336638.db2.gz IPJSZVNZGORPIY-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc(CCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000073120569 454397400 /nfs/dbraw/zinc/39/74/00/454397400.db2.gz DVXUEYMIRLOQSE-UHFFFAOYSA-N 0 0 332.331 3.338 10 5 EGBERN N#CN(Cc1nnc(C2CC2)n1C1CC1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000097083550 454401965 /nfs/dbraw/zinc/40/19/65/454401965.db2.gz YWKUEDWKRSHUKP-UHFFFAOYSA-N 0 0 342.334 3.025 10 5 EGBERN Cc1c(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000121338711 454422939 /nfs/dbraw/zinc/42/29/39/454422939.db2.gz VIAHIJRQWNPSBM-RDTXWAMCSA-N 0 0 348.349 3.489 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000121407203 454430803 /nfs/dbraw/zinc/43/08/03/454430803.db2.gz LJPAVVWVPDVETG-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nccn1CC(C)C ZINC000091744398 454466822 /nfs/dbraw/zinc/46/68/22/454466822.db2.gz KRKKAKHGGMTXFM-UHFFFAOYSA-N 0 0 344.415 3.303 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1[N+](=O)[O-] ZINC000133817722 454470263 /nfs/dbraw/zinc/47/02/63/454470263.db2.gz LMMQSVWVPCGRRW-KRWDZBQOSA-N 0 0 344.367 3.272 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000134003304 454491382 /nfs/dbraw/zinc/49/13/82/454491382.db2.gz VEVWHZSDPCNWAD-UONOGXRCSA-N 0 0 327.340 3.049 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000134002927 454491711 /nfs/dbraw/zinc/49/17/11/454491711.db2.gz VEVWHZSDPCNWAD-ZIAGYGMSSA-N 0 0 327.340 3.049 10 5 EGBERN NC(=O)c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000079941944 454502262 /nfs/dbraw/zinc/50/22/62/454502262.db2.gz LJAURYCGLJWVEB-HNNXBMFYSA-N 0 0 343.358 3.044 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000134471644 454546915 /nfs/dbraw/zinc/54/69/15/454546915.db2.gz ZRERQSYRYDWKSH-ZFWWWQNUSA-N 0 0 328.372 3.005 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCc1ccc(F)cc1 ZINC000122745417 454565507 /nfs/dbraw/zinc/56/55/07/454565507.db2.gz MXUALIIGYPZTMD-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134941494 454614450 /nfs/dbraw/zinc/61/44/50/454614450.db2.gz LCSXFOQBTLPQOO-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000134970968 454618648 /nfs/dbraw/zinc/61/86/48/454618648.db2.gz AGENGCMWOMYRDT-KRWDZBQOSA-N 0 0 325.368 3.049 10 5 EGBERN CN(CCOCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383364 454620866 /nfs/dbraw/zinc/62/08/66/454620866.db2.gz BVDUMURBLPKVSE-UHFFFAOYSA-N 0 0 330.384 3.122 10 5 EGBERN Cc1c(CN(C)CC(=O)Nc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000051531276 454627883 /nfs/dbraw/zinc/62/78/83/454627883.db2.gz NKPRZLXRDHDVQK-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2cc(C)c([N+](=O)[O-])cn2)cs1 ZINC000074767592 454632820 /nfs/dbraw/zinc/63/28/20/454632820.db2.gz CMMMNFCELVKOMM-NSHDSACASA-N 0 0 336.417 3.489 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000092825984 454641988 /nfs/dbraw/zinc/64/19/88/454641988.db2.gz IMTAALWRPDPLAL-NSHDSACASA-N 0 0 331.351 3.044 10 5 EGBERN CCc1nccn1[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216560 454686265 /nfs/dbraw/zinc/68/62/65/454686265.db2.gz LXUKRIVQKNBRHV-INIZCTEOSA-N 0 0 344.415 3.199 10 5 EGBERN CC(C)c1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000161623394 454708647 /nfs/dbraw/zinc/70/86/47/454708647.db2.gz CVTRKBHYKRTWPG-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000106696386 454714058 /nfs/dbraw/zinc/71/40/58/454714058.db2.gz MLMXZRJNABVOSU-HNNXBMFYSA-N 0 0 349.431 3.448 10 5 EGBERN COc1ccccc1NC1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000093817081 454737276 /nfs/dbraw/zinc/73/72/76/454737276.db2.gz GPJMZMWKMAKZRX-UHFFFAOYSA-N 0 0 331.372 3.273 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000107518625 454761219 /nfs/dbraw/zinc/76/12/19/454761219.db2.gz AHKUANQXPGOQLQ-DZGCQCFKSA-N 0 0 331.372 3.456 10 5 EGBERN COc1ccccc1OCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153134061 454763641 /nfs/dbraw/zinc/76/36/41/454763641.db2.gz FMKVLDJULWYJPA-UHFFFAOYSA-N 0 0 328.368 3.041 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000125009491 454790383 /nfs/dbraw/zinc/79/03/83/454790383.db2.gz BNBKRMQIHVGWOJ-CYBMUJFWSA-N 0 0 346.408 3.140 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000176937839 454801587 /nfs/dbraw/zinc/80/15/87/454801587.db2.gz TZMHCHQSUGQWJB-GWCFXTLKSA-N 0 0 327.427 3.356 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000139321883 454804661 /nfs/dbraw/zinc/80/46/61/454804661.db2.gz IYEQCFDHSGEUAI-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN CCc1noc(C)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125761473 454844940 /nfs/dbraw/zinc/84/49/40/454844940.db2.gz QDXYBKPDHRHERG-UHFFFAOYSA-N 0 0 330.344 3.044 10 5 EGBERN Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1 ZINC000163838266 454866081 /nfs/dbraw/zinc/86/60/81/454866081.db2.gz PACXWEFMBSPFJJ-UHFFFAOYSA-N 0 0 325.368 3.411 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000150789179 454893013 /nfs/dbraw/zinc/89/30/13/454893013.db2.gz ACYKXXMEKMFPFF-QWHCGFSZSA-N 0 0 338.429 3.466 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000150844199 454900428 /nfs/dbraw/zinc/90/04/28/454900428.db2.gz LOMXDNRUOCKMLW-LBPRGKRZSA-N 0 0 331.328 3.101 10 5 EGBERN CC[NH+](CC)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166093423 454907474 /nfs/dbraw/zinc/90/74/74/454907474.db2.gz PXEINGJXEPAHFW-QGZVFWFLSA-N 0 0 343.383 3.322 10 5 EGBERN CC(=O)c1c(C)cc(C)c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1C ZINC000127237381 454947873 /nfs/dbraw/zinc/94/78/73/454947873.db2.gz CKVCRSSPTSEAMB-UHFFFAOYSA-N 0 0 328.368 3.241 10 5 EGBERN CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000114266417 454949061 /nfs/dbraw/zinc/94/90/61/454949061.db2.gz USJIJLCVHZKOSW-UHFFFAOYSA-N 0 0 329.312 3.052 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccc(Cl)cc2Cl)c1=O ZINC000127265075 454949555 /nfs/dbraw/zinc/94/95/55/454949555.db2.gz DLPDWKYCCKBYFE-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000127382970 454959425 /nfs/dbraw/zinc/95/94/25/454959425.db2.gz DTJSSHUOCMDULY-LRDDRELGSA-N 0 0 343.387 3.215 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCCc1ccccc1 ZINC000170775884 454975356 /nfs/dbraw/zinc/97/53/56/454975356.db2.gz QWMIMMWFNGAVRR-UHFFFAOYSA-N 0 0 327.384 3.441 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127576423 454978261 /nfs/dbraw/zinc/97/82/61/454978261.db2.gz CKJHOCNSDSFDKN-BZNIZROVSA-N 0 0 338.791 3.015 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCC1CC1 ZINC000127823161 455001367 /nfs/dbraw/zinc/00/13/67/455001367.db2.gz MFAQYZITTCCPJR-UHFFFAOYSA-N 0 0 326.780 3.324 10 5 EGBERN CCc1ncc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cn1 ZINC000612556175 460659942 /nfs/dbraw/zinc/65/99/42/460659942.db2.gz GFRUYNHCYLRRHQ-UHFFFAOYSA-N 0 0 340.261 3.218 10 5 EGBERN CCCCN(C)C(=O)CSCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000156040920 455075649 /nfs/dbraw/zinc/07/56/49/455075649.db2.gz PGCKMXIMRPMTRK-UHFFFAOYSA-N 0 0 326.418 3.095 10 5 EGBERN Cc1scc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000179840964 455087535 /nfs/dbraw/zinc/08/75/35/455087535.db2.gz IEHWTIWXERXBRT-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccccc21 ZINC000117600976 455089822 /nfs/dbraw/zinc/08/98/22/455089822.db2.gz DQBRVRPDCSQOQA-UHFFFAOYSA-N 0 0 332.743 3.216 10 5 EGBERN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCOCC1 ZINC000129789157 455125810 /nfs/dbraw/zinc/12/58/10/455125810.db2.gz ZGHHWAJFWBDAPR-ZDUSSCGKSA-N 0 0 332.400 3.149 10 5 EGBERN COC(=O)C1CCC(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])CC1 ZINC000180132481 455136781 /nfs/dbraw/zinc/13/67/81/455136781.db2.gz LAIGXMKSZRNSQR-UHFFFAOYSA-N 0 0 335.356 3.096 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263990962 455178561 /nfs/dbraw/zinc/17/85/61/455178561.db2.gz BJZZGZJOGLAOJO-HNNXBMFYSA-N 0 0 341.367 3.145 10 5 EGBERN CCc1cnccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180554766 455195689 /nfs/dbraw/zinc/19/56/89/455195689.db2.gz YEWSAJSUOHAGNV-UHFFFAOYSA-N 0 0 337.282 3.406 10 5 EGBERN CCOc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000182950793 455198242 /nfs/dbraw/zinc/19/82/42/455198242.db2.gz UZAFWWFZXNEVJI-UHFFFAOYSA-N 0 0 342.351 3.292 10 5 EGBERN CN1CCCc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000172889964 455204237 /nfs/dbraw/zinc/20/42/37/455204237.db2.gz KAADGSUPIZQZMW-UHFFFAOYSA-N 0 0 325.368 3.158 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000157534311 455204925 /nfs/dbraw/zinc/20/49/25/455204925.db2.gz YBNKOEFHHACCJZ-HNNXBMFYSA-N 0 0 334.397 3.109 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000183336652 455278552 /nfs/dbraw/zinc/27/85/52/455278552.db2.gz GEXZGHPNBTYVIW-OHKBXWSGSA-N 0 0 330.384 3.026 10 5 EGBERN CC[C@@H](NCc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538304 455352074 /nfs/dbraw/zinc/35/20/74/455352074.db2.gz REJWFCAUTHXMKT-CQSZACIVSA-N 0 0 328.328 3.479 10 5 EGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000174336325 455380150 /nfs/dbraw/zinc/38/01/50/455380150.db2.gz NSTUHVAQUFHLBY-QMMMGPOBSA-N 0 0 326.324 3.468 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000174500098 455397677 /nfs/dbraw/zinc/39/76/77/455397677.db2.gz IGEJOSPRHMSLSD-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174528982 455400941 /nfs/dbraw/zinc/40/09/41/455400941.db2.gz LJDSJSRJUJOAKH-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN CCn1cnnc1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182151174 455447407 /nfs/dbraw/zinc/44/74/07/455447407.db2.gz OJSYELAHOYZSBL-UHFFFAOYSA-N 0 0 349.822 3.239 10 5 EGBERN CCN(C[C@H]1CCCO1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601011616 460675230 /nfs/dbraw/zinc/67/52/30/460675230.db2.gz WHXNMMFNXZWFHQ-MRXNPFEDSA-N 0 0 332.400 3.044 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)n1 ZINC000191658089 455507063 /nfs/dbraw/zinc/50/70/63/455507063.db2.gz NMWMHOHPPHIREI-BONVTDFDSA-N 0 0 346.362 3.004 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCC(C)C)cc2)n1 ZINC000191648968 455507244 /nfs/dbraw/zinc/50/72/44/455507244.db2.gz ZMNVQEWDQKVQSZ-UHFFFAOYSA-N 0 0 346.387 3.488 10 5 EGBERN CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000182410164 455508023 /nfs/dbraw/zinc/50/80/23/455508023.db2.gz BZZOVPTUYPMRJA-INIZCTEOSA-N 0 0 341.367 3.109 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000191869289 455526624 /nfs/dbraw/zinc/52/66/24/455526624.db2.gz RUJBGZFBNGACDN-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN CCn1nc(C(C)C)cc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161165415 455542036 /nfs/dbraw/zinc/54/20/36/455542036.db2.gz KIWGBMSJHCSRIR-UHFFFAOYSA-N 0 0 342.399 3.133 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271323059 455597307 /nfs/dbraw/zinc/59/73/07/455597307.db2.gz BEAHULHYXRKPHC-ZENOOKHLSA-N 0 0 335.404 3.160 10 5 EGBERN COC(=O)[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC000185780281 455620411 /nfs/dbraw/zinc/62/04/11/455620411.db2.gz DZUAPJLWODLJCR-CQSZACIVSA-N 0 0 338.360 3.108 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268306643 455646522 /nfs/dbraw/zinc/64/65/22/455646522.db2.gz OQTJQWJCSJKYDA-FZMZJTMJSA-N 0 0 348.424 3.249 10 5 EGBERN CC[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000277733831 455649381 /nfs/dbraw/zinc/64/93/81/455649381.db2.gz HHXYHQXZGWRONG-ZDUSSCGKSA-N 0 0 336.391 3.345 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(CO)(Cc3ccccc3)CC2)cs1 ZINC000277739369 455651533 /nfs/dbraw/zinc/65/15/33/455651533.db2.gz KQWJVJBEUFDFFK-UHFFFAOYSA-N 0 0 346.452 3.474 10 5 EGBERN CC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000186033861 455680584 /nfs/dbraw/zinc/68/05/84/455680584.db2.gz PJXITLUFFZLYOY-OAHLLOKOSA-N 0 0 341.367 3.042 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H](CCc3ccccc3)C2)cs1 ZINC000186048809 455683827 /nfs/dbraw/zinc/68/38/27/455683827.db2.gz FXVGHSSBCOXEQJ-INIZCTEOSA-N 0 0 332.425 3.490 10 5 EGBERN CCC[C@@]1(CO)CCCN1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000277929717 455711948 /nfs/dbraw/zinc/71/19/48/455711948.db2.gz AWBDAACAEGOXFK-WMZOPIPTSA-N 0 0 349.431 3.383 10 5 EGBERN CCC[C@]1(CO)CCCN1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000277929709 455712344 /nfs/dbraw/zinc/71/23/44/455712344.db2.gz AWBDAACAEGOXFK-FUHWJXTLSA-N 0 0 349.431 3.383 10 5 EGBERN CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277999039 455730547 /nfs/dbraw/zinc/73/05/47/455730547.db2.gz HLYDADKSBSNHJV-PXAZEXFGSA-N 0 0 338.407 3.230 10 5 EGBERN CCC[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278065423 455748226 /nfs/dbraw/zinc/74/82/26/455748226.db2.gz FPRNIUCJKZNALU-HXUWFJFHSA-N 0 0 338.407 3.375 10 5 EGBERN C[C@@]12CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@@H]1C2(F)F ZINC000292756203 455749035 /nfs/dbraw/zinc/74/90/35/455749035.db2.gz HWTDOWSDZHPVNC-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN CCOc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268981279 455753298 /nfs/dbraw/zinc/75/32/98/455753298.db2.gz OVLIWUTVKALRHZ-CYBMUJFWSA-N 0 0 343.383 3.283 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccs1 ZINC000193402981 455757662 /nfs/dbraw/zinc/75/76/62/455757662.db2.gz GPRQPDQIQXNCKM-JTQLQIEISA-N 0 0 335.385 3.225 10 5 EGBERN COC[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278111984 455761626 /nfs/dbraw/zinc/76/16/26/455761626.db2.gz KPMWQSUYYHBKNG-ZDUSSCGKSA-N 0 0 336.391 3.202 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(COC(C)(C)C)on1 ZINC000186415149 455762776 /nfs/dbraw/zinc/76/27/76/455762776.db2.gz XNNWBTZIPWVPOP-UHFFFAOYSA-N 0 0 333.388 3.496 10 5 EGBERN Cn1cc([C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000278184854 455780972 /nfs/dbraw/zinc/78/09/72/455780972.db2.gz LUNGADYQPNOCOV-LBPRGKRZSA-N 0 0 348.712 3.375 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278357619 455827983 /nfs/dbraw/zinc/82/79/83/455827983.db2.gz PNBANOCFZAAQCI-MLGOLLRUSA-N 0 0 336.391 3.248 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296246225 455890949 /nfs/dbraw/zinc/89/09/49/455890949.db2.gz OQHXMOCZWNZJBA-YPMHNXCESA-N 0 0 344.358 3.027 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187312500 455894609 /nfs/dbraw/zinc/89/46/09/455894609.db2.gz QUPJJQBWISGQJN-WCQYABFASA-N 0 0 338.429 3.149 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187406933 455906869 /nfs/dbraw/zinc/90/68/69/455906869.db2.gz BHEXKFFLMASMIH-NSHDSACASA-N 0 0 330.344 3.190 10 5 EGBERN CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280178568 455909632 /nfs/dbraw/zinc/90/96/32/455909632.db2.gz HSNSXGSPVMEPGO-HNNXBMFYSA-N 0 0 326.780 3.023 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187674294 455936543 /nfs/dbraw/zinc/93/65/43/455936543.db2.gz MLMJCPAPGSDTBX-UHFFFAOYSA-N 0 0 337.379 3.352 10 5 EGBERN CO[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187782882 455952344 /nfs/dbraw/zinc/95/23/44/455952344.db2.gz MVVARPKNFDVQQV-BLLLJJGKSA-N 0 0 334.416 3.389 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(COC3CCCC3)cc2)n1 ZINC000270776272 456035942 /nfs/dbraw/zinc/03/59/42/456035942.db2.gz IZFNVXNDGMTDOV-UHFFFAOYSA-N 0 0 344.371 3.040 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296829159 456047327 /nfs/dbraw/zinc/04/73/27/456047327.db2.gz NGTWJEFWPVRQDB-ZBINZKHDSA-N 0 0 339.342 3.343 10 5 EGBERN CC[C@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000272708542 456048068 /nfs/dbraw/zinc/04/80/68/456048068.db2.gz DBOMOFHQMGUPOI-HKUYNNGSSA-N 0 0 342.395 3.460 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000601105329 460711844 /nfs/dbraw/zinc/71/18/44/460711844.db2.gz DOJCTBZAJPWUKN-AWEZNQCLSA-N 0 0 337.738 3.360 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270868574 456056902 /nfs/dbraw/zinc/05/69/02/456056902.db2.gz LJMCVGXJTGGGJH-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(F)cc1F ZINC000601108769 460713542 /nfs/dbraw/zinc/71/35/42/460713542.db2.gz MNYZLTAIFXMQRF-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN C[C@@H](CCc1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601100607 460709585 /nfs/dbraw/zinc/70/95/85/460709585.db2.gz OSJXBBRTWYQAMR-QMMMGPOBSA-N 0 0 332.282 3.373 10 5 EGBERN C[C@@H]1CC[C@H](C)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301463591 456121444 /nfs/dbraw/zinc/12/14/44/456121444.db2.gz VRHZULBONAHTTQ-ZJUUUORDSA-N 0 0 348.371 3.216 10 5 EGBERN COc1ccc(O)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000188748296 456127287 /nfs/dbraw/zinc/12/72/87/456127287.db2.gz KUDWLYITMSWGAJ-UHFFFAOYSA-N 0 0 344.367 3.360 10 5 EGBERN CC(C)NC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301487872 456127735 /nfs/dbraw/zinc/12/77/35/456127735.db2.gz ZBSYBTUKNMEBLZ-VIFPVBQESA-N 0 0 333.310 3.329 10 5 EGBERN C[C@@H](c1cccc(O)c1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601123597 460718428 /nfs/dbraw/zinc/71/84/28/460718428.db2.gz FXGORCUHTZZCOR-QMMMGPOBSA-N 0 0 344.293 3.250 10 5 EGBERN COc1cc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301609221 456160999 /nfs/dbraw/zinc/16/09/99/456160999.db2.gz AWSRTACOASHVTL-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN COc1cc(NC[C@]2(O)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000301619174 456164559 /nfs/dbraw/zinc/16/45/59/456164559.db2.gz LSFZHBPIXFRABY-GOSISDBHSA-N 0 0 346.358 3.379 10 5 EGBERN COC(=O)c1cc(NC[C@H](O)c2ccc(C)cc2)cc(C)c1[N+](=O)[O-] ZINC000301670407 456180847 /nfs/dbraw/zinc/18/08/47/456180847.db2.gz FDKTWXSREMQDLD-INIZCTEOSA-N 0 0 344.367 3.144 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000301720541 456197787 /nfs/dbraw/zinc/19/77/87/456197787.db2.gz MJIBSYYCOOMCRK-BONVTDFDSA-N 0 0 342.392 3.209 10 5 EGBERN Cc1nccn1-c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000301744014 456203648 /nfs/dbraw/zinc/20/36/48/456203648.db2.gz MUIDDRVAVSKGER-UHFFFAOYSA-N 0 0 344.762 3.144 10 5 EGBERN CS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000263767055 456218225 /nfs/dbraw/zinc/21/82/25/456218225.db2.gz VXKZMXRFHHAZOQ-UHFFFAOYSA-N 0 0 348.380 3.067 10 5 EGBERN CN(Cc1nc(C(F)(F)F)cs1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601124892 460719752 /nfs/dbraw/zinc/71/97/52/460719752.db2.gz WYRJMXWSQNUGSI-UHFFFAOYSA-N 0 0 336.270 3.241 10 5 EGBERN Cc1cc([C@@H]2CN(c3nccc(C)c3[N+](=O)[O-])CCO2)ccc1F ZINC000301860682 456235013 /nfs/dbraw/zinc/23/50/13/456235013.db2.gz CFKYNYAXJOZISE-HNNXBMFYSA-N 0 0 331.347 3.324 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(F)ccc1OC ZINC000189203358 456253424 /nfs/dbraw/zinc/25/34/24/456253424.db2.gz KQRXRAKYKXZWGL-UHFFFAOYSA-N 0 0 334.347 3.431 10 5 EGBERN COc1ccc2c(c1)OC[C@H](Nc1cc(OC)cc(F)c1[N+](=O)[O-])C2 ZINC000301968239 456260436 /nfs/dbraw/zinc/26/04/36/456260436.db2.gz PILRMHLTWJPMFK-LLVKDONJSA-N 0 0 348.330 3.167 10 5 EGBERN Cc1cc(N2CCC3(CC2)OC[C@H](C)O3)c2cccc([N+](=O)[O-])c2n1 ZINC000302000797 456267543 /nfs/dbraw/zinc/26/75/43/456267543.db2.gz IXNZLIAVYMRBEB-ZDUSSCGKSA-N 0 0 343.383 3.183 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000302021916 456269749 /nfs/dbraw/zinc/26/97/49/456269749.db2.gz IMZGQEUAZQQEJC-ZDUSSCGKSA-N 0 0 346.412 3.209 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000302021797 456269814 /nfs/dbraw/zinc/26/98/14/456269814.db2.gz FTAQNTBWDLKGAG-LJQANCHMSA-N 0 0 338.363 3.386 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCOc4cc(F)ccc43)nn21 ZINC000302027675 456271781 /nfs/dbraw/zinc/27/17/81/456271781.db2.gz IREVDDLBZFHFHB-LBPRGKRZSA-N 0 0 343.318 3.102 10 5 EGBERN Cn1c(CCCNc2cc(CO)ccc2[N+](=O)[O-])nc2ccccc21 ZINC000302027738 456271827 /nfs/dbraw/zinc/27/18/27/456271827.db2.gz ITEJUJJZGYZRGC-UHFFFAOYSA-N 0 0 340.383 3.019 10 5 EGBERN Cc1ccn(-c2ccccc2CNc2cc(CO)ccc2[N+](=O)[O-])n1 ZINC000302059115 456276880 /nfs/dbraw/zinc/27/68/80/456276880.db2.gz RJUWFOIFFKRKPW-UHFFFAOYSA-N 0 0 338.367 3.193 10 5 EGBERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302069349 456279952 /nfs/dbraw/zinc/27/99/52/456279952.db2.gz VFVZBRANQFEQAO-UHFFFAOYSA-N 0 0 338.367 3.114 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601133053 460725465 /nfs/dbraw/zinc/72/54/65/460725465.db2.gz SJMIRAHCVPOBAU-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1nc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000275790469 456314409 /nfs/dbraw/zinc/31/44/09/456314409.db2.gz ZGBGOSGKQKVJTM-INIZCTEOSA-N 0 0 341.415 3.252 10 5 EGBERN CCOc1cccc(NCCC(=O)Nc2cccc(C)n2)c1[N+](=O)[O-] ZINC000302217866 456320378 /nfs/dbraw/zinc/32/03/78/456320378.db2.gz KLOAOTDPDQLBEJ-UHFFFAOYSA-N 0 0 344.371 3.138 10 5 EGBERN CC1(C)CC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])O1 ZINC000302404694 456340408 /nfs/dbraw/zinc/34/04/08/456340408.db2.gz KOOZWVPWKSWCTN-MRVPVSSYSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302492209 456349058 /nfs/dbraw/zinc/34/90/58/456349058.db2.gz ZNADPZKNFGSTCH-NWDGAFQWSA-N 0 0 336.392 3.047 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(O)CCCC(C)(C)C2)c1 ZINC000302523154 456353862 /nfs/dbraw/zinc/35/38/62/456353862.db2.gz YPFWCZJYPWHYMK-INIZCTEOSA-N 0 0 326.368 3.486 10 5 EGBERN CS(=O)(=O)c1ccc(NCc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000302727056 456384165 /nfs/dbraw/zinc/38/41/65/456384165.db2.gz PSZUXVIJEBFYGN-UHFFFAOYSA-N 0 0 346.408 3.488 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C2CC2)cc1 ZINC000302734373 456387885 /nfs/dbraw/zinc/38/78/85/456387885.db2.gz VRLXPCOOHFQFTH-UHFFFAOYSA-N 0 0 346.408 3.488 10 5 EGBERN C[C@@](CO)(NCc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149376 460732709 /nfs/dbraw/zinc/73/27/09/460732709.db2.gz MLBPIUKGYISTCQ-INIZCTEOSA-N 0 0 338.766 3.385 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(OC(F)F)cn2)c1 ZINC000302834249 456414135 /nfs/dbraw/zinc/41/41/35/456414135.db2.gz SYDYZXMQIKQFMY-UHFFFAOYSA-N 0 0 343.261 3.351 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000302849910 456415894 /nfs/dbraw/zinc/41/58/94/456415894.db2.gz IJXZECIHWGNHAD-GFCCVEGCSA-N 0 0 341.346 3.161 10 5 EGBERN COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000347874734 456419386 /nfs/dbraw/zinc/41/93/86/456419386.db2.gz MRBNKDRZSGAVFD-WPRPVWTQSA-N 0 0 332.278 3.016 10 5 EGBERN COc1ccccc1N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302870914 456421278 /nfs/dbraw/zinc/42/12/78/456421278.db2.gz YTUYCVYJAUBFQL-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN CCO[C@H](C)c1nc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000353001729 456439728 /nfs/dbraw/zinc/43/97/28/456439728.db2.gz AEVFNQPDWOAUDL-LLVKDONJSA-N 0 0 348.428 3.102 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C)cc(C)c2)n1 ZINC000343224284 456464355 /nfs/dbraw/zinc/46/43/55/456464355.db2.gz HCXGIXQKZHEJID-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN Cc1c(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000340506234 456498297 /nfs/dbraw/zinc/49/82/97/456498297.db2.gz KJNLKQSKZJYKGU-KRWDZBQOSA-N 0 0 341.346 3.040 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(n2ccnc2)CC1 ZINC000276506738 456500900 /nfs/dbraw/zinc/50/09/00/456500900.db2.gz APDKKFXFBKTPFE-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276525950 456506354 /nfs/dbraw/zinc/50/63/54/456506354.db2.gz BNBFEMIVTSQHHY-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN Cc1cc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)nn1-c1ccccc1 ZINC000291154132 456547707 /nfs/dbraw/zinc/54/77/07/456547707.db2.gz ZZGLEPVMQWDLMK-UHFFFAOYSA-N 0 0 341.371 3.219 10 5 EGBERN CN(c1nc(CN2CCc3ccc([N+](=O)[O-])cc32)cs1)C1CC1 ZINC000348255483 456574281 /nfs/dbraw/zinc/57/42/81/456574281.db2.gz MUKRYMUZQGYUPJ-UHFFFAOYSA-N 0 0 330.413 3.213 10 5 EGBERN CC1(CC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000348341612 456636088 /nfs/dbraw/zinc/63/60/88/456636088.db2.gz KTPJPMPMLHOIHL-UHFFFAOYSA-N 0 0 329.360 3.289 10 5 EGBERN Cc1ccsc1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343523392 456681865 /nfs/dbraw/zinc/68/18/65/456681865.db2.gz GBBSUNFXZCYUQI-UHFFFAOYSA-N 0 0 340.351 3.144 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000353482885 456706026 /nfs/dbraw/zinc/70/60/26/456706026.db2.gz PEJJTQHMVLNQOH-NEPJUHHUSA-N 0 0 330.306 3.232 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000301069231 456788917 /nfs/dbraw/zinc/78/89/17/456788917.db2.gz FFCVOKHCKSGFLZ-CQSZACIVSA-N 0 0 346.774 3.305 10 5 EGBERN CC(C)[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344045423 456791467 /nfs/dbraw/zinc/79/14/67/456791467.db2.gz IGZQWFDRFFEBRD-GFCCVEGCSA-N 0 0 333.310 3.023 10 5 EGBERN COc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000277374952 456799696 /nfs/dbraw/zinc/79/96/96/456799696.db2.gz DJRPRTSONGZFKA-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN Cc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)n1 ZINC000301121141 456802565 /nfs/dbraw/zinc/80/25/65/456802565.db2.gz RXQOOBDBCAYRMZ-UHFFFAOYSA-N 0 0 340.383 3.146 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277456116 456831980 /nfs/dbraw/zinc/83/19/80/456831980.db2.gz ONEBEHNEQOPAOY-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN CN(Cc1cnccn1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301256503 456835838 /nfs/dbraw/zinc/83/58/38/456835838.db2.gz BPPUSIGZUZWQFX-UHFFFAOYSA-N 0 0 348.362 3.252 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)[C@@H](C)O1 ZINC000353718068 456870579 /nfs/dbraw/zinc/87/05/79/456870579.db2.gz HQPVZAXVTMHGNZ-OPRDCNLKSA-N 0 0 346.305 3.252 10 5 EGBERN CC1(C)CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000341717693 456913136 /nfs/dbraw/zinc/91/31/36/456913136.db2.gz FISFROJCUJFCMQ-NSHDSACASA-N 0 0 343.177 3.253 10 5 EGBERN Cn1nccc1CCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341720665 456913627 /nfs/dbraw/zinc/91/36/27/456913627.db2.gz IPOIDUCGPLRONN-UHFFFAOYSA-N 0 0 330.388 3.197 10 5 EGBERN CC[C@H](SC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341725747 456917028 /nfs/dbraw/zinc/91/70/28/456917028.db2.gz KQPFOZGGOKBSBQ-JTQLQIEISA-N 0 0 333.207 3.437 10 5 EGBERN NC(=O)c1ccc(NCc2ccccc2OC2CCC2)c([N+](=O)[O-])c1 ZINC000345117200 456931589 /nfs/dbraw/zinc/93/15/89/456931589.db2.gz DBNVPEIPSKUGTC-UHFFFAOYSA-N 0 0 341.367 3.237 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000341808658 456953451 /nfs/dbraw/zinc/95/34/51/456953451.db2.gz RPZXYJDNYKVRFN-AWEZNQCLSA-N 0 0 345.330 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000339181762 456980250 /nfs/dbraw/zinc/98/02/50/456980250.db2.gz PUYUMGNMNWGJKW-QGZVFWFLSA-N 0 0 340.379 3.476 10 5 EGBERN CCC1(CC)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000362612388 457005632 /nfs/dbraw/zinc/00/56/32/457005632.db2.gz BCQGCSQSZPVZDM-UHFFFAOYSA-N 0 0 340.445 3.327 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356483539 457014319 /nfs/dbraw/zinc/01/43/19/457014319.db2.gz UBVTVDTZRJHDJR-WBVHZDCISA-N 0 0 346.408 3.433 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CCC2)n1C ZINC000358872358 457015221 /nfs/dbraw/zinc/01/52/21/457015221.db2.gz QPQWPHLRKVEYHO-UHFFFAOYSA-N 0 0 334.401 3.292 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000354081067 457049050 /nfs/dbraw/zinc/04/90/50/457049050.db2.gz DXONYWRBBQBKRQ-CQSZACIVSA-N 0 0 327.375 3.065 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330523169 457053231 /nfs/dbraw/zinc/05/32/31/457053231.db2.gz IOJXGGIKRVLEOM-DNSOKLHBSA-N 0 0 343.177 3.109 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2cnc(C3CC3)nc2)c2ccncc21 ZINC000339362165 457068255 /nfs/dbraw/zinc/06/82/55/457068255.db2.gz NVBDUADJDLIKDF-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN C[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000342061823 457085840 /nfs/dbraw/zinc/08/58/40/457085840.db2.gz MJURNDSJXQWOGG-GFCCVEGCSA-N 0 0 338.363 3.144 10 5 EGBERN Cc1noc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C ZINC000359754785 457127080 /nfs/dbraw/zinc/12/70/80/457127080.db2.gz YYOXZRBSGXCQPF-UHFFFAOYSA-N 0 0 347.374 3.398 10 5 EGBERN Cc1cc(=O)c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c[nH]1 ZINC000356736899 457142546 /nfs/dbraw/zinc/14/25/46/457142546.db2.gz OOXVYFLPAWYZAE-UHFFFAOYSA-N 0 0 329.356 3.141 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000359962995 457173389 /nfs/dbraw/zinc/17/33/89/457173389.db2.gz HYGDHQKJFKUDQI-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000356895218 457204633 /nfs/dbraw/zinc/20/46/33/457204633.db2.gz SSOWXSDEKVBQNN-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000356895219 457204946 /nfs/dbraw/zinc/20/49/46/457204946.db2.gz SSOWXSDEKVBQNN-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN COC(=O)c1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000342288093 457213889 /nfs/dbraw/zinc/21/38/89/457213889.db2.gz YPSAMBPNGJTHRR-NSHDSACASA-N 0 0 332.331 3.371 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[C@H](C(F)(F)F)C3)n2)n1C ZINC000347135044 457249212 /nfs/dbraw/zinc/24/92/12/457249212.db2.gz JDVZFBNZTFDUFI-SFYZADRCSA-N 0 0 345.281 3.133 10 5 EGBERN Cc1cc(C)nc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000356986404 457260264 /nfs/dbraw/zinc/26/02/64/457260264.db2.gz RSKHJBHAXZQEEW-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCOC[C@H]2CC2CCC2)c(F)c1 ZINC000339774016 457261823 /nfs/dbraw/zinc/26/18/23/457261823.db2.gz WDNROVWLLSDNOR-CYBMUJFWSA-N 0 0 326.343 3.264 10 5 EGBERN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000342445376 457308228 /nfs/dbraw/zinc/30/82/28/457308228.db2.gz WLKWZFCZZOTXRF-OAHLLOKOSA-N 0 0 335.310 3.078 10 5 EGBERN CCC1(CC)CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[S@@]1=O ZINC000352360718 457357914 /nfs/dbraw/zinc/35/79/14/457357914.db2.gz OQZUBBMFSRWFJJ-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN CN(Cc1cccc(F)c1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000360892674 457413652 /nfs/dbraw/zinc/41/36/52/457413652.db2.gz UDTQIRZLADWDEU-UHFFFAOYSA-N 0 0 338.285 3.213 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnn1C ZINC000347451574 457437693 /nfs/dbraw/zinc/43/76/93/457437693.db2.gz OQBKBVFKERJLRE-UHFFFAOYSA-N 0 0 348.428 3.151 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1Cc1cccc(F)c1 ZINC000360952465 457460438 /nfs/dbraw/zinc/46/04/38/457460438.db2.gz AYGMLHONODWRPF-HNNXBMFYSA-N 0 0 332.379 3.470 10 5 EGBERN COC(=O)c1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000425271402 457478200 /nfs/dbraw/zinc/47/82/00/457478200.db2.gz IDGRFNQQBXPNAC-QMMMGPOBSA-N 0 0 337.357 3.020 10 5 EGBERN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccon3)no2)c1 ZINC000357374181 457479688 /nfs/dbraw/zinc/47/96/88/457479688.db2.gz SRTLMYYIQKDTLD-UHFFFAOYSA-N 0 0 337.089 3.062 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360978544 457484386 /nfs/dbraw/zinc/48/43/86/457484386.db2.gz FPGZLJADUIQCCD-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000342744658 457494578 /nfs/dbraw/zinc/49/45/78/457494578.db2.gz REZXFHBAFRGSRX-UKRRQHHQSA-N 0 0 342.399 3.425 10 5 EGBERN O=[N+]([O-])c1c(N2CC=C(c3ccccc3F)C2)nc2sccn21 ZINC000342818913 457540144 /nfs/dbraw/zinc/54/01/44/457540144.db2.gz ZNBFKCHTWQFQNA-UHFFFAOYSA-N 0 0 330.344 3.347 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](NCc2nnc3n2CCC3)c2ccccc2)c1 ZINC000352700275 457541062 /nfs/dbraw/zinc/54/10/62/457541062.db2.gz BLFAYXVWLANNMZ-LJQANCHMSA-N 0 0 349.394 3.012 10 5 EGBERN C[C@H]1C[C@@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357463963 457544945 /nfs/dbraw/zinc/54/49/45/457544945.db2.gz FTUAFOCSQGRDMV-UWVGGRQHSA-N 0 0 328.328 3.409 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357478770 457554452 /nfs/dbraw/zinc/55/44/52/457554452.db2.gz NKUBUGQLPZRKLK-ZJUUUORDSA-N 0 0 328.328 3.409 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408169242 457561674 /nfs/dbraw/zinc/56/16/74/457561674.db2.gz OTFKNQFESXMLPZ-NSHDSACASA-N 0 0 329.356 3.253 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408516381 457575085 /nfs/dbraw/zinc/57/50/85/457575085.db2.gz UUNJYFPBBGLHNO-APHBMKBZSA-N 0 0 340.807 3.005 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc2cc[nH]c2n1 ZINC000357560606 457596408 /nfs/dbraw/zinc/59/64/08/457596408.db2.gz AXBGWAUFTNQZOP-UHFFFAOYSA-N 0 0 340.339 3.178 10 5 EGBERN C[C@@H](c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1)C1CC1 ZINC000357593774 457611915 /nfs/dbraw/zinc/61/19/15/457611915.db2.gz ITWYBPXIJKJXFV-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1ccccn1)C1CC1 ZINC000361146249 457612781 /nfs/dbraw/zinc/61/27/81/457612781.db2.gz CHMKHLAGZRNSGG-UHFFFAOYSA-N 0 0 347.321 3.002 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC2(CCO2)CC1 ZINC000374429631 457625951 /nfs/dbraw/zinc/62/59/51/457625951.db2.gz OMFWDTDCICLKKC-UHFFFAOYSA-N 0 0 348.402 3.076 10 5 EGBERN CNc1c(C(=O)N2CC(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000361208979 457645735 /nfs/dbraw/zinc/64/57/35/457645735.db2.gz BNIVNQYNLLKOQY-UHFFFAOYSA-N 0 0 329.331 3.015 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357684566 457654753 /nfs/dbraw/zinc/65/47/53/457654753.db2.gz HUHICVJNHHTEOI-DYVFJYSZSA-N 0 0 344.342 3.242 10 5 EGBERN COc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000370494449 457661138 /nfs/dbraw/zinc/66/11/38/457661138.db2.gz DSHXWCPEEVUFOE-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN COc1cc(-c2nc(-c3ncsc3Cl)no2)ccc1[N+](=O)[O-] ZINC000361351733 457702925 /nfs/dbraw/zinc/70/29/25/457702925.db2.gz BJZBLKAWJMKMFL-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000374783948 457705778 /nfs/dbraw/zinc/70/57/78/457705778.db2.gz RNOWXLBCOPHCPV-AWEZNQCLSA-N 0 0 344.371 3.352 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)CCCc2ccccc2)n1 ZINC000357909035 457730445 /nfs/dbraw/zinc/73/04/45/457730445.db2.gz KTFNPYFCQSTOLA-UHFFFAOYSA-N 0 0 344.415 3.107 10 5 EGBERN CC(C)Sc1ccc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000357911198 457731278 /nfs/dbraw/zinc/73/12/78/457731278.db2.gz NEIJOGQGOAUSOF-LLVKDONJSA-N 0 0 348.428 3.320 10 5 EGBERN O=C(c1ccoc1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361446509 457735274 /nfs/dbraw/zinc/73/52/74/457735274.db2.gz AYRBKOOWUIGQRV-UHFFFAOYSA-N 0 0 326.230 3.410 10 5 EGBERN CCc1nc([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000370946148 457742063 /nfs/dbraw/zinc/74/20/63/457742063.db2.gz CDPBCMJEBARCJL-CYBMUJFWSA-N 0 0 348.334 3.047 10 5 EGBERN Cc1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000371097891 457787878 /nfs/dbraw/zinc/78/78/78/457787878.db2.gz HOGBAMIYILARNB-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000375123966 457801714 /nfs/dbraw/zinc/80/17/14/457801714.db2.gz JPKIZGCUUOPEMY-HNNXBMFYSA-N 0 0 334.416 3.111 10 5 EGBERN Nc1nc(N2CCCC[C@H]2c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000443963059 457830199 /nfs/dbraw/zinc/83/01/99/457830199.db2.gz NSGCGCHGHBNFRX-LBPRGKRZSA-N 0 0 333.779 3.182 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c([nH]1)CCOC2 ZINC000457831386 457844201 /nfs/dbraw/zinc/84/42/01/457844201.db2.gz NCIJMEWFTCJRBG-UHFFFAOYSA-N 0 0 344.371 3.068 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCc2nc[nH]c2C1 ZINC000371279736 457847647 /nfs/dbraw/zinc/84/76/47/457847647.db2.gz KRCSRDMVSUCDCE-SECBINFHSA-N 0 0 337.177 3.050 10 5 EGBERN COc1ccc(C[NH2+][C@@H](C(=O)[O-])C2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000426744376 457892173 /nfs/dbraw/zinc/89/21/73/457892173.db2.gz CRBPBNUAIMTRAB-HNNXBMFYSA-N 0 0 336.388 3.117 10 5 EGBERN COc1ccc(C[NH2+][C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752603 457893007 /nfs/dbraw/zinc/89/30/07/457893007.db2.gz DJHUNYXLWJQBHE-ZIAGYGMSSA-N 0 0 336.388 3.117 10 5 EGBERN CCOC(=O)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000411474241 457898044 /nfs/dbraw/zinc/89/80/44/457898044.db2.gz LNUHXOOOZMDGGL-ZDUSSCGKSA-N 0 0 343.383 3.326 10 5 EGBERN CCc1ccc2nc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])sc2c1 ZINC000427120608 457947522 /nfs/dbraw/zinc/94/75/22/457947522.db2.gz TXMNYSYSHLQWOC-UHFFFAOYSA-N 0 0 345.384 3.236 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000375546873 457967892 /nfs/dbraw/zinc/96/78/92/457967892.db2.gz RCRHLIZASARVJT-GUYCJALGSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1c(CNC(=O)N[C@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000358442760 458006164 /nfs/dbraw/zinc/00/61/64/458006164.db2.gz JZUKBUNIIJPARX-HOTGVXAUSA-N 0 0 325.368 3.259 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000427601497 458006777 /nfs/dbraw/zinc/00/67/77/458006777.db2.gz LIOOLJBKBUIVAE-APPDUMDISA-N 0 0 326.352 3.267 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411902338 458007179 /nfs/dbraw/zinc/00/71/79/458007179.db2.gz GXURXBSSCJGREV-JTQLQIEISA-N 0 0 326.418 3.351 10 5 EGBERN CC[C@H](C)n1ncc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1C1CC1 ZINC000427715480 458026593 /nfs/dbraw/zinc/02/65/93/458026593.db2.gz ZBXZHPHZCMTETM-JTQLQIEISA-N 0 0 346.391 3.108 10 5 EGBERN Cc1cn2c(n1)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000371678085 458029197 /nfs/dbraw/zinc/02/91/97/458029197.db2.gz XULNEDPIYOPPFC-UHFFFAOYSA-N 0 0 338.367 3.376 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@]2(C)CCCc3ccccc32)n1 ZINC000445579368 458065887 /nfs/dbraw/zinc/06/58/87/458065887.db2.gz NAGQQSYOHSQTNG-QGZVFWFLSA-N 0 0 339.355 3.021 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1nccn1CC(F)(F)F ZINC000434958082 458070282 /nfs/dbraw/zinc/07/02/82/458070282.db2.gz KGPLKZXEYTWBTA-UHFFFAOYSA-N 0 0 335.673 3.014 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371828763 458089646 /nfs/dbraw/zinc/08/96/46/458089646.db2.gz LVORIMGSDUVGJN-JLHYYAGUSA-N 0 0 340.383 3.127 10 5 EGBERN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000435401757 458137742 /nfs/dbraw/zinc/13/77/42/458137742.db2.gz LQMVUNWKMNXTES-ZBFHGGJFSA-N 0 0 343.383 3.351 10 5 EGBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458712799 458145145 /nfs/dbraw/zinc/14/51/45/458145145.db2.gz CZGNRNVXNYGEHG-MXASKKJJSA-N 0 0 329.400 3.282 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000412293343 458156685 /nfs/dbraw/zinc/15/66/85/458156685.db2.gz XULOYFCHOGEVGM-AWEZNQCLSA-N 0 0 344.371 3.082 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000446540386 458196607 /nfs/dbraw/zinc/19/66/07/458196607.db2.gz PMURZXNMTYGRHP-LJQANCHMSA-N 0 0 340.379 3.164 10 5 EGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC3(C2)CCCC3)c1 ZINC000372361777 458290914 /nfs/dbraw/zinc/29/09/14/458290914.db2.gz VDLQHPPLAXCKJM-UHFFFAOYSA-N 0 0 344.820 3.121 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccc2ccc(=O)n(C)c2c1 ZINC000447409061 458294441 /nfs/dbraw/zinc/29/44/41/458294441.db2.gz JLJRTWMMFINBGO-UHFFFAOYSA-N 0 0 339.351 3.067 10 5 EGBERN COc1ccccc1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262803 458302146 /nfs/dbraw/zinc/30/21/46/458302146.db2.gz HCWYHDQXKHGBSY-UHFFFAOYSA-N 0 0 343.383 3.067 10 5 EGBERN O=C(Nc1ccc2cc[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447645283 458325579 /nfs/dbraw/zinc/32/55/79/458325579.db2.gz FRVKTCIHSDNZPM-UHFFFAOYSA-N 0 0 339.307 3.100 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCN3c3nccs3)n2)c1 ZINC000372878524 458338595 /nfs/dbraw/zinc/33/85/95/458338595.db2.gz OAMYVKKSENXEIK-GFCCVEGCSA-N 0 0 343.368 3.443 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1CO ZINC000372999442 458371096 /nfs/dbraw/zinc/37/10/96/458371096.db2.gz SLSSAFFSYRXIRW-UHFFFAOYSA-N 0 0 344.298 3.460 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000373276380 458450102 /nfs/dbraw/zinc/45/01/02/458450102.db2.gz YCDFOSKDNUZFPF-CQSZACIVSA-N 0 0 342.399 3.209 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000437414534 458451912 /nfs/dbraw/zinc/45/19/12/458451912.db2.gz WEJUZBZRQRTSLM-AULYBMBSSA-N 0 0 348.790 3.141 10 5 EGBERN NC(=O)c1ccc(NC[C@H]2CC[C@H](c3ccccc3)O2)c([N+](=O)[O-])c1 ZINC000377180154 458484083 /nfs/dbraw/zinc/48/40/83/458484083.db2.gz RGZCXKMANVCMQY-RHSMWYFYSA-N 0 0 341.367 3.026 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000377221045 458491463 /nfs/dbraw/zinc/49/14/63/458491463.db2.gz HXAPXQZOQWQCCO-UHFFFAOYSA-N 0 0 325.368 3.148 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430813037 458494339 /nfs/dbraw/zinc/49/43/39/458494339.db2.gz HFORDHAWCAOLMN-JQWIXIFHSA-N 0 0 346.305 3.081 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CCC1 ZINC000460634624 458528276 /nfs/dbraw/zinc/52/82/76/458528276.db2.gz ZQGNNHAWEYMFNC-UHFFFAOYSA-N 0 0 329.404 3.498 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000431109451 458531415 /nfs/dbraw/zinc/53/14/15/458531415.db2.gz WUFUVZOPMCVBCR-JTQLQIEISA-N 0 0 328.315 3.159 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438152235 458542382 /nfs/dbraw/zinc/54/23/82/458542382.db2.gz ZRLMMGOGJWMXRH-AMJWSMQMSA-N 0 0 332.381 3.339 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438456739 458580416 /nfs/dbraw/zinc/58/04/16/458580416.db2.gz DGWGEXZEEFRNMJ-MNOVXSKESA-N 0 0 345.321 3.397 10 5 EGBERN COc1cc(CN[C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207972 458583847 /nfs/dbraw/zinc/58/38/47/458583847.db2.gz XVSZSPUCQFMZNY-IRXDYDNUSA-N 0 0 332.331 3.036 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000438884182 458625771 /nfs/dbraw/zinc/62/57/71/458625771.db2.gz PSPLAJDZXFMFEP-UHFFFAOYSA-N 0 0 347.298 3.172 10 5 EGBERN COC[C@@H]1CCCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000438949792 458632887 /nfs/dbraw/zinc/63/28/87/458632887.db2.gz CTBLGNKRRBTSPS-GFCCVEGCSA-N 0 0 340.807 3.445 10 5 EGBERN CC(C)(C)N1CC[C@H](Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1=O ZINC000424562031 458663068 /nfs/dbraw/zinc/66/30/68/458663068.db2.gz JZJRSBWFZPVJCJ-JTQLQIEISA-N 0 0 343.330 3.008 10 5 EGBERN COc1ccc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000462889040 458664532 /nfs/dbraw/zinc/66/45/32/458664532.db2.gz QUYJDGXBPFPQIR-HNNXBMFYSA-N 0 0 327.384 3.458 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000494386175 458668453 /nfs/dbraw/zinc/66/84/53/458668453.db2.gz POHWRJZPMNRSAC-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN CCCc1ncc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000456519514 458700607 /nfs/dbraw/zinc/70/06/07/458700607.db2.gz MSYSJMAUCXGWJS-UHFFFAOYSA-N 0 0 337.763 3.427 10 5 EGBERN COc1cc(Cn2c(=O)sc3ccccc32)c([N+](=O)[O-])cc1F ZINC000463442522 458700900 /nfs/dbraw/zinc/70/09/00/458700900.db2.gz UTHSQUXAQGPDBS-UHFFFAOYSA-N 0 0 334.328 3.167 10 5 EGBERN CCOC(=O)c1cc(-c2nc([C@@H](C)C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000547212123 458707791 /nfs/dbraw/zinc/70/77/91/458707791.db2.gz HBPKXKNCVHYWFK-VIFPVBQESA-N 0 0 331.328 3.335 10 5 EGBERN CO[C@@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000456580378 458719816 /nfs/dbraw/zinc/71/98/16/458719816.db2.gz SONHOYCJNFOBMA-OQPBUACISA-N 0 0 346.305 3.157 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456582178 458720678 /nfs/dbraw/zinc/72/06/78/458720678.db2.gz ZCSAZTNECHANSP-QGZVFWFLSA-N 0 0 341.367 3.354 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456639185 458738443 /nfs/dbraw/zinc/73/84/43/458738443.db2.gz WIUQVFPMOMCESS-KRWDZBQOSA-N 0 0 342.351 3.320 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccccc1O ZINC000439874069 458760208 /nfs/dbraw/zinc/76/02/08/458760208.db2.gz WDZCRIRHJCJFOC-UHFFFAOYSA-N 0 0 345.355 3.063 10 5 EGBERN COc1cc(OC)c2ncnc(Oc3ccccc3[N+](=O)[O-])c2c1 ZINC000433018253 458826222 /nfs/dbraw/zinc/82/62/22/458826222.db2.gz CZGCGCFPUVEJRG-UHFFFAOYSA-N 0 0 327.296 3.348 10 5 EGBERN COc1ccc(CNC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000473427519 458827855 /nfs/dbraw/zinc/82/78/55/458827855.db2.gz KBABBYDMTULSAE-FRRDWIJNSA-N 0 0 335.404 3.179 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473505128 458831200 /nfs/dbraw/zinc/83/12/00/458831200.db2.gz KKMVASBXNIFIOO-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465869913 458858662 /nfs/dbraw/zinc/85/86/62/458858662.db2.gz FWXBPTNEOHUGMY-FZKQIMNGSA-N 0 0 339.395 3.370 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000457081389 458858838 /nfs/dbraw/zinc/85/88/38/458858838.db2.gz MVROZQUTBSCNPU-WCQYABFASA-N 0 0 348.790 3.048 10 5 EGBERN COC[C@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000457082947 458860309 /nfs/dbraw/zinc/86/03/09/458860309.db2.gz MFKPLFYXPJCEBA-STQMWFEESA-N 0 0 338.379 3.113 10 5 EGBERN CC1(c2cc(NC(=O)NCc3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000555807135 458911618 /nfs/dbraw/zinc/91/16/18/458911618.db2.gz WLTXGJKQPZTJSD-UHFFFAOYSA-N 0 0 344.371 3.158 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1ccc(CO)c(F)c1)CCCC2 ZINC000519147663 458920362 /nfs/dbraw/zinc/92/03/62/458920362.db2.gz SYUWCSGRGKVMJG-UHFFFAOYSA-N 0 0 331.347 3.112 10 5 EGBERN CCc1cnc(N2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000441352442 458925510 /nfs/dbraw/zinc/92/55/10/458925510.db2.gz XTAQVZAFHMFMIC-CYBMUJFWSA-N 0 0 346.456 3.497 10 5 EGBERN CC(C)SCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556468499 458963724 /nfs/dbraw/zinc/96/37/24/458963724.db2.gz UAWZJTLVOQLCRM-UHFFFAOYSA-N 0 0 333.207 3.437 10 5 EGBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C2CCCCC2)n1 ZINC000519580108 458967361 /nfs/dbraw/zinc/96/73/61/458967361.db2.gz BBEUULAFDVWPRK-UHFFFAOYSA-N 0 0 329.360 3.023 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000475868168 458968094 /nfs/dbraw/zinc/96/80/94/458968094.db2.gz ZDCQAATYAJKCKO-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nccn1-c1ccccc1)C2 ZINC000566653953 458976667 /nfs/dbraw/zinc/97/66/67/458976667.db2.gz WMWMLGOCGJHLIE-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOC(C)(C)C ZINC000519920041 459023137 /nfs/dbraw/zinc/02/31/37/459023137.db2.gz OLKFFGCNZDGHBO-NSHDSACASA-N 0 0 326.418 3.007 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000442694399 459024518 /nfs/dbraw/zinc/02/45/18/459024518.db2.gz JMSHOKMDMFEFRE-JOYOIKCWSA-N 0 0 337.763 3.362 10 5 EGBERN Cc1cc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc(OCCO)c1 ZINC000594498957 459063583 /nfs/dbraw/zinc/06/35/83/459063583.db2.gz DQALQWRQUVCSAU-QGZVFWFLSA-N 0 0 328.368 3.374 10 5 EGBERN Cc1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594517432 459075858 /nfs/dbraw/zinc/07/58/58/459075858.db2.gz CJAKPMSDOAHFSU-TZMCWYRMSA-N 0 0 332.322 3.493 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000532388483 459079259 /nfs/dbraw/zinc/07/92/59/459079259.db2.gz LKFAULTXPHKWEF-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN O=C(NCC1(Cc2ccccc2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532397199 459080208 /nfs/dbraw/zinc/08/02/08/459080208.db2.gz APFBCQVLSQWYDQ-UHFFFAOYSA-N 0 0 325.368 3.133 10 5 EGBERN COc1ccc(Cc2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc1[N+](=O)[O-] ZINC000594538477 459083300 /nfs/dbraw/zinc/08/33/00/459083300.db2.gz YEKRGEIPORIQMK-UPJWGTAASA-N 0 0 329.356 3.481 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)C)n1)c1c(C)nn(C)c1C ZINC000594554378 459087915 /nfs/dbraw/zinc/08/79/15/459087915.db2.gz CFPZBADHTHGLMW-ZDUSSCGKSA-N 0 0 347.419 3.112 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594588950 459099658 /nfs/dbraw/zinc/09/96/58/459099658.db2.gz ALSZECWGNGZWNT-JKSUJKDBSA-N 0 0 334.372 3.141 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594592086 459100801 /nfs/dbraw/zinc/10/08/01/459100801.db2.gz YTTDXQFAJQEHTB-IAGOWNOFSA-N 0 0 327.384 3.325 10 5 EGBERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000594598656 459105263 /nfs/dbraw/zinc/10/52/63/459105263.db2.gz GWZIBBDLZBXJNX-HNNXBMFYSA-N 0 0 343.383 3.355 10 5 EGBERN Nc1c(F)c(N[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594601103 459106426 /nfs/dbraw/zinc/10/64/26/459106426.db2.gz JDOOKJCCMIJTOX-XCBNKYQSSA-N 0 0 337.273 3.228 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590401510 459125263 /nfs/dbraw/zinc/12/52/63/459125263.db2.gz LVISULYGZGQCAA-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590401191 459125344 /nfs/dbraw/zinc/12/53/44/459125344.db2.gz IWEJEROURWBDTN-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN CC[C@@H](CSc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532790536 459145783 /nfs/dbraw/zinc/14/57/83/459145783.db2.gz XONNTMWBVDWFLV-LBPRGKRZSA-N 0 0 331.397 3.291 10 5 EGBERN O=C1NCCC[C@@H]1Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000480034146 459179317 /nfs/dbraw/zinc/17/93/17/459179317.db2.gz JHCOTUYUFLAWQP-INIZCTEOSA-N 0 0 327.340 3.078 10 5 EGBERN C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000558641441 459186032 /nfs/dbraw/zinc/18/60/32/459186032.db2.gz ZSCUJFXMHBXQKB-CHWSQXEVSA-N 0 0 344.415 3.449 10 5 EGBERN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000521905511 459192699 /nfs/dbraw/zinc/19/26/99/459192699.db2.gz PWQTXACWHCDQJW-SJLPKXTDSA-N 0 0 346.427 3.493 10 5 EGBERN Nc1cc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590726914 459195921 /nfs/dbraw/zinc/19/59/21/459195921.db2.gz KWFAEJFBVDRICX-BXUZGUMPSA-N 0 0 349.412 3.063 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000595070457 459235626 /nfs/dbraw/zinc/23/56/26/459235626.db2.gz WNEGCNGKWHIMBW-OAHLLOKOSA-N 0 0 345.399 3.153 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000595101357 459246202 /nfs/dbraw/zinc/24/62/02/459246202.db2.gz DPMUZNJDOLOVHK-ZJNRKIDTSA-N 0 0 330.384 3.376 10 5 EGBERN CCCCC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595380121 459286922 /nfs/dbraw/zinc/28/69/22/459286922.db2.gz KFBABYRYVHACAF-ZDUSSCGKSA-N 0 0 341.433 3.113 10 5 EGBERN COC(=O)c1ccc(OCc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000568552276 459307217 /nfs/dbraw/zinc/30/72/17/459307217.db2.gz VDCLSQBMJLSSOC-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H](C)O1 ZINC000582208979 459325541 /nfs/dbraw/zinc/32/55/41/459325541.db2.gz WEQPKEAEFJJWDD-ILWJIGKKSA-N 0 0 346.305 3.299 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000582247338 459333492 /nfs/dbraw/zinc/33/34/92/459333492.db2.gz NZDDNBAYYCPOMV-NOZJJQNGSA-N 0 0 348.321 3.141 10 5 EGBERN NC(=O)c1ccc(Cl)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000560434026 459344618 /nfs/dbraw/zinc/34/46/18/459344618.db2.gz HTRFRKPFDNZCOE-UHFFFAOYSA-N 0 0 341.701 3.237 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000595616240 459369732 /nfs/dbraw/zinc/36/97/32/459369732.db2.gz RVLHVQIGMQMQBZ-ZDUSSCGKSA-N 0 0 343.383 3.394 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000483612604 459377085 /nfs/dbraw/zinc/37/70/85/459377085.db2.gz HKFCBFKYRNHGGM-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN Cc1cnc(C)nc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569018707 459383232 /nfs/dbraw/zinc/38/32/32/459383232.db2.gz CSMTUPYJQBIAEA-UHFFFAOYSA-N 0 0 328.372 3.049 10 5 EGBERN CN(C(=O)CN1CCC(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595659994 459387050 /nfs/dbraw/zinc/38/70/50/459387050.db2.gz PSMDQUGPMOXILM-UHFFFAOYSA-N 0 0 331.416 3.070 10 5 EGBERN COc1cc(CSCCOC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000540903372 459399644 /nfs/dbraw/zinc/39/96/44/459399644.db2.gz DOIGXSASOJBPTN-ZDUSSCGKSA-N 0 0 327.402 3.032 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000484567649 459420408 /nfs/dbraw/zinc/42/04/08/459420408.db2.gz NZCHOKOYDGQFIZ-NVXWUHKLSA-N 0 0 342.395 3.436 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000595741777 459421701 /nfs/dbraw/zinc/42/17/01/459421701.db2.gz ZFAVZDMXTKVXQA-BFHYXJOUSA-N 0 0 338.429 3.210 10 5 EGBERN COc1cc(-c2nc([C@H]3C[C@@H]3C)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000569357168 459437998 /nfs/dbraw/zinc/43/79/98/459437998.db2.gz YDACYYGODLUFDB-BQBZGAKWSA-N 0 0 341.270 3.378 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000485374120 459451588 /nfs/dbraw/zinc/45/15/88/459451588.db2.gz FMXGDWHMUWAUNI-HOTGVXAUSA-N 0 0 348.399 3.326 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCOc2ccc(O)cc2C1 ZINC000595857254 459465832 /nfs/dbraw/zinc/46/58/32/459465832.db2.gz OCOMVTMTIGXNGA-UHFFFAOYSA-N 0 0 334.759 3.348 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCO[C@]3(CCSC3)C1)CCCC2 ZINC000591925472 459487406 /nfs/dbraw/zinc/48/74/06/459487406.db2.gz XHPGMODUZWALPD-CXAGYDPISA-N 0 0 349.456 3.335 10 5 EGBERN Cn1nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c2ccccc21 ZINC000591932233 459489897 /nfs/dbraw/zinc/48/98/97/459489897.db2.gz VPSGZWDJJYJMTC-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000561916061 459491789 /nfs/dbraw/zinc/49/17/89/459491789.db2.gz HUMFQDVIPACNAS-UHFFFAOYSA-N 0 0 345.321 3.121 10 5 EGBERN Cc1cc(N2Cc3cnn(C)c3CC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000596001458 459492701 /nfs/dbraw/zinc/49/27/01/459492701.db2.gz SXESEKPDNTWMHR-UHFFFAOYSA-N 0 0 332.379 3.365 10 5 EGBERN CCOc1cc(N2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596001515 459492824 /nfs/dbraw/zinc/49/28/24/459492824.db2.gz WNNFRQVGKXQNDY-UHFFFAOYSA-N 0 0 330.388 3.306 10 5 EGBERN CCOc1cc(N2Cc3cnn(C)c3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596001295 459493008 /nfs/dbraw/zinc/49/30/08/459493008.db2.gz PMVSUJIOPNDHCE-UHFFFAOYSA-N 0 0 344.415 3.316 10 5 EGBERN C[C@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596010846 459494540 /nfs/dbraw/zinc/49/45/40/459494540.db2.gz VGSBKJSHFDMYIT-LBPRGKRZSA-N 0 0 342.399 3.033 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1CSc2ccccc2O1 ZINC000591967951 459500427 /nfs/dbraw/zinc/50/04/27/459500427.db2.gz WQLQPPLSEZGJBG-LBPRGKRZSA-N 0 0 348.428 3.475 10 5 EGBERN CNC(=O)c1ccc(N2CC3(CC=CC3)[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000591992214 459507334 /nfs/dbraw/zinc/50/73/34/459507334.db2.gz DNXJGYCWMPCGMW-INIZCTEOSA-N 0 0 329.400 3.135 10 5 EGBERN COCC1(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000592046352 459515851 /nfs/dbraw/zinc/51/58/51/459515851.db2.gz NYUMMOHJWXFRAJ-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000596152028 459539051 /nfs/dbraw/zinc/53/90/51/459539051.db2.gz ULDYUTBGQYDOKC-QMMMGPOBSA-N 0 0 330.793 3.342 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)c1C ZINC000542270118 459542185 /nfs/dbraw/zinc/54/21/85/459542185.db2.gz UQWQEOMPHFQENC-AWEZNQCLSA-N 0 0 338.429 3.188 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596163198 459544768 /nfs/dbraw/zinc/54/47/68/459544768.db2.gz UEDXNGRSJPWIHW-VIFPVBQESA-N 0 0 342.779 3.039 10 5 EGBERN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596179163 459550236 /nfs/dbraw/zinc/55/02/36/459550236.db2.gz NMUDKJBXQYMTEJ-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596186082 459553980 /nfs/dbraw/zinc/55/39/80/459553980.db2.gz HUJQXGDICFTZSC-SNVBAGLBSA-N 0 0 342.779 3.406 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592246843 459560156 /nfs/dbraw/zinc/56/01/56/459560156.db2.gz LPPHCAYMZUYHIQ-TXEJJXNPSA-N 0 0 337.376 3.071 10 5 EGBERN Nc1ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1[N+](=O)[O-] ZINC000596220955 459564672 /nfs/dbraw/zinc/56/46/72/459564672.db2.gz HELQEXJPLFJZRF-JTQLQIEISA-N 0 0 330.310 3.131 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccncc3)C2)c1 ZINC000596254161 459575411 /nfs/dbraw/zinc/57/54/11/459575411.db2.gz MHUHZBDESZIGOO-HNNXBMFYSA-N 0 0 341.367 3.160 10 5 EGBERN Cc1cc(NCc2nn(C)cc2Br)c([N+](=O)[O-])s1 ZINC000596254127 459575628 /nfs/dbraw/zinc/57/56/28/459575628.db2.gz JLAJVLRDQYXEJN-UHFFFAOYSA-N 0 0 331.195 3.073 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596259194 459577848 /nfs/dbraw/zinc/57/78/48/459577848.db2.gz UKHNKRHTKGNPPF-XLKFXECMSA-N 0 0 342.779 3.260 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000596267024 459579695 /nfs/dbraw/zinc/57/96/95/459579695.db2.gz YFJMKHOVUBZIHF-DTWKUNHWSA-N 0 0 328.752 3.014 10 5 EGBERN O=C(CC1CC(F)(F)C1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562552666 459585928 /nfs/dbraw/zinc/58/59/28/459585928.db2.gz BJPWESGEMDDEAJ-UHFFFAOYSA-N 0 0 337.326 3.170 10 5 EGBERN COC1CC(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000596307567 459590954 /nfs/dbraw/zinc/59/09/54/459590954.db2.gz AZUFDBZBQCELHQ-UHFFFAOYSA-N 0 0 333.413 3.367 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000596333876 459599373 /nfs/dbraw/zinc/59/93/73/459599373.db2.gz MRLMCQJQANKHPB-UHFFFAOYSA-N 0 0 345.355 3.144 10 5 EGBERN CO[C@@H](CSCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000596333204 459599553 /nfs/dbraw/zinc/59/95/53/459599553.db2.gz FXUNOGPSHXETMF-CJNGLKHVSA-N 0 0 341.429 3.148 10 5 EGBERN COC(=O)c1ccc(F)c(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542823973 459600446 /nfs/dbraw/zinc/60/04/46/459600446.db2.gz ZBYGWBGYYXNTMP-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN CCCCCC(=O)NC1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000542865406 459605547 /nfs/dbraw/zinc/60/55/47/459605547.db2.gz OCXRSSZPSUUTDU-UHFFFAOYSA-N 0 0 348.447 3.272 10 5 EGBERN O=C(COc1cccc2c1CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583993482 459631239 /nfs/dbraw/zinc/63/12/39/459631239.db2.gz GOIATKPZVWIKNC-UHFFFAOYSA-N 0 0 338.363 3.052 10 5 EGBERN CS(=O)(=O)c1cc(SC[C@@H]2C[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596426625 459633546 /nfs/dbraw/zinc/63/35/46/459633546.db2.gz FNBQKXHAQRGZKJ-JGPRNRPPSA-N 0 0 327.427 3.137 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596443381 459637540 /nfs/dbraw/zinc/63/75/40/459637540.db2.gz ZGGJGASPAMZIBV-MEDUHNTESA-N 0 0 346.408 3.139 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000596448718 459639488 /nfs/dbraw/zinc/63/94/88/459639488.db2.gz PBAZBCJEQFKEII-APPDUMDISA-N 0 0 325.368 3.095 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@](O)(C3CC3)C2)cc1C(F)(F)F ZINC000596460742 459643624 /nfs/dbraw/zinc/64/36/24/459643624.db2.gz ANVGZJDAQJWVDM-AWEZNQCLSA-N 0 0 330.306 3.355 10 5 EGBERN C[C@@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC000596477962 459649968 /nfs/dbraw/zinc/64/99/68/459649968.db2.gz FQCDWYGDLKJSQR-SCLBCKFNSA-N 0 0 343.358 3.269 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn(C3CCC3)nn2)cc1[N+](=O)[O-] ZINC000592629531 459650434 /nfs/dbraw/zinc/65/04/34/459650434.db2.gz UFBJZNIVKZSWNM-UHFFFAOYSA-N 0 0 343.387 3.461 10 5 EGBERN CC(=O)c1cc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596488010 459654051 /nfs/dbraw/zinc/65/40/51/459654051.db2.gz LBCFVDPDKYCNPE-YOEHRIQHSA-N 0 0 342.399 3.354 10 5 EGBERN COc1cc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596490133 459654958 /nfs/dbraw/zinc/65/49/58/459654958.db2.gz ZWRUPYZKWGEYPM-ZFWWWQNUSA-N 0 0 330.388 3.160 10 5 EGBERN COc1cc(NCC(O)(C2CC2)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596490946 459655252 /nfs/dbraw/zinc/65/52/52/459655252.db2.gz AIWZDQVRIKTWCV-UHFFFAOYSA-N 0 0 326.780 3.220 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C12CCC2 ZINC000596507537 459661475 /nfs/dbraw/zinc/66/14/75/459661475.db2.gz KPRXHGFSYPHQDH-KGLIPLIRSA-N 0 0 347.415 3.232 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000592681037 459664491 /nfs/dbraw/zinc/66/44/91/459664491.db2.gz HMCHTSSVCLSZCE-UHFFFAOYSA-N 0 0 340.383 3.054 10 5 EGBERN O=C(c1cccc(Oc2ncc([N+](=O)[O-])cc2F)c1)N1CCCC1 ZINC000596528768 459667679 /nfs/dbraw/zinc/66/76/79/459667679.db2.gz AMVUAONXRVTSAG-UHFFFAOYSA-N 0 0 331.303 3.157 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@H]3C2)nc1-c1ccccc1 ZINC000596528666 459668017 /nfs/dbraw/zinc/66/80/17/459668017.db2.gz NWOZEYXEVYSOCS-LSDHHAIUSA-N 0 0 325.368 3.130 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000592696410 459668511 /nfs/dbraw/zinc/66/85/11/459668511.db2.gz AJKUIOPWMLMJMK-TXEJJXNPSA-N 0 0 338.429 3.149 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC3(COC3)C2)nc1-c1ccc(F)cc1 ZINC000596531594 459669262 /nfs/dbraw/zinc/66/92/62/459669262.db2.gz VCGGTETVLOSWJS-UHFFFAOYSA-N 0 0 329.331 3.023 10 5 EGBERN COc1cc(N2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])cc1F ZINC000596568202 459679249 /nfs/dbraw/zinc/67/92/49/459679249.db2.gz QNIGQVRDJGLHDY-CALCHBBNSA-N 0 0 336.363 3.140 10 5 EGBERN CN(C[C@@H]1CC1(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596605608 459695399 /nfs/dbraw/zinc/69/53/99/459695399.db2.gz VWBBVJIIHIMRJV-ZDUSSCGKSA-N 0 0 344.415 3.306 10 5 EGBERN O=C(N=c1cc[nH]cc1[N+](=O)[O-])NC1(c2ccccc2)CCCCC1 ZINC000543766422 459697956 /nfs/dbraw/zinc/69/79/56/459697956.db2.gz VLVUYPMFYYNBMX-UHFFFAOYSA-N 0 0 340.383 3.393 10 5 EGBERN Cc1nc(-c2noc(-c3ccc([N+](=O)[O-])c(OC(C)C)c3)n2)[nH]c1C ZINC000596619395 459700719 /nfs/dbraw/zinc/70/07/19/459700719.db2.gz ISTMKAMXCOMZEH-UHFFFAOYSA-N 0 0 343.343 3.439 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592874573 459708380 /nfs/dbraw/zinc/70/83/80/459708380.db2.gz TWOSDWCILAMUKU-NWDGAFQWSA-N 0 0 334.420 3.169 10 5 EGBERN Cc1c(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636913 459708458 /nfs/dbraw/zinc/70/84/58/459708458.db2.gz YXGAXZZGKMWHKH-SNVBAGLBSA-N 0 0 347.293 3.088 10 5 EGBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000592881129 459710751 /nfs/dbraw/zinc/71/07/51/459710751.db2.gz KXQLTAQVTFRWSR-UHFFFAOYSA-N 0 0 348.399 3.179 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000592903529 459716796 /nfs/dbraw/zinc/71/67/96/459716796.db2.gz UXFMLKZWUCBUQQ-OAHLLOKOSA-N 0 0 332.404 3.258 10 5 EGBERN CNc1c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000592901257 459717431 /nfs/dbraw/zinc/71/74/31/459717431.db2.gz KPEDCABDAOQESG-MRXNPFEDSA-N 0 0 329.400 3.453 10 5 EGBERN COc1ccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592903964 459718549 /nfs/dbraw/zinc/71/85/49/459718549.db2.gz XLVSKVRBERGHMB-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000592939514 459721115 /nfs/dbraw/zinc/72/11/15/459721115.db2.gz GQPHZSGTNPUYFT-UONOGXRCSA-N 0 0 348.399 3.143 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000592950647 459723155 /nfs/dbraw/zinc/72/31/55/459723155.db2.gz YKNCRZFMBFVZNM-SECBINFHSA-N 0 0 334.351 3.053 10 5 EGBERN Cc1cc(NCC[N@@H+]2CCCC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976922 459727351 /nfs/dbraw/zinc/72/73/51/459727351.db2.gz KHYIABHKNFAUPU-UHFFFAOYSA-N 0 0 335.404 3.135 10 5 EGBERN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421010 459735503 /nfs/dbraw/zinc/73/55/03/459735503.db2.gz ZJSQLRYKVLYSNE-SWLSCSKDSA-N 0 0 341.415 3.251 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](CCc3ccccc3)C2)n1 ZINC000544447789 459761521 /nfs/dbraw/zinc/76/15/21/459761521.db2.gz RDTVJUDAVVVBKD-KRWDZBQOSA-N 0 0 341.411 3.445 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000544611790 459772616 /nfs/dbraw/zinc/77/26/16/459772616.db2.gz XNRGFIGGFWKVFP-AWEZNQCLSA-N 0 0 332.322 3.038 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596892074 459788927 /nfs/dbraw/zinc/78/89/27/459788927.db2.gz ZMLLGVNMDKAGRZ-GFCCVEGCSA-N 0 0 349.387 3.169 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596899836 459790552 /nfs/dbraw/zinc/79/05/52/459790552.db2.gz VXRCQNHABBQOAN-OLZOCXBDSA-N 0 0 347.415 3.393 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000596899568 459790691 /nfs/dbraw/zinc/79/06/91/459790691.db2.gz MGUNUPDBEMJVHB-CQSZACIVSA-N 0 0 335.404 3.175 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000593166077 459793542 /nfs/dbraw/zinc/79/35/42/459793542.db2.gz JXHGFBUKACIDNS-HOCLYGCPSA-N 0 0 328.343 3.196 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000596912584 459793908 /nfs/dbraw/zinc/79/39/08/459793908.db2.gz JYMXUVGQSXLGII-SJCJKPOMSA-N 0 0 343.383 3.401 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593181663 459798692 /nfs/dbraw/zinc/79/86/92/459798692.db2.gz BYXYYKGQZPZTSO-AWEZNQCLSA-N 0 0 325.315 3.475 10 5 EGBERN CC(C)n1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000593232740 459815496 /nfs/dbraw/zinc/81/54/96/459815496.db2.gz OZKCHROHPNDRER-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN CC(C)(C)OC(=O)CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000566258432 459830639 /nfs/dbraw/zinc/83/06/39/459830639.db2.gz YIPABLBWCBNZEX-UHFFFAOYSA-N 0 0 348.399 3.113 10 5 EGBERN CC(F)(F)CCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091959 459835403 /nfs/dbraw/zinc/83/54/03/459835403.db2.gz GIMJECIJLABFFR-UHFFFAOYSA-N 0 0 336.726 3.387 10 5 EGBERN Nc1c(NC(=O)NC[C@H]2CCC(F)(F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097635 459836492 /nfs/dbraw/zinc/83/64/92/459836492.db2.gz QDNRHEDICQHBSZ-ZETCQYMHSA-N 0 0 348.737 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2c(C)cc(C)cc21 ZINC000593315345 459839083 /nfs/dbraw/zinc/83/90/83/459839083.db2.gz DKDDHEZGHRJSBC-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000585740195 459839036 /nfs/dbraw/zinc/83/90/36/459839036.db2.gz MIHVGVOQLPMUHY-UHFFFAOYSA-N 0 0 348.424 3.292 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1c(C(F)(F)F)cnn1C ZINC000597127281 459844243 /nfs/dbraw/zinc/84/42/43/459844243.db2.gz DJKXBHXVZVLSME-UHFFFAOYSA-N 0 0 342.321 3.022 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ncccc2C1 ZINC000585781401 459845269 /nfs/dbraw/zinc/84/52/69/459845269.db2.gz NDZYBRNBAMEZBW-UHFFFAOYSA-N 0 0 348.746 3.070 10 5 EGBERN CC[C@@H](NC(=O)C1(c2cc(C)no2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602115257 459846008 /nfs/dbraw/zinc/84/60/08/459846008.db2.gz HXQIVJDLSTXCQL-CQSZACIVSA-N 0 0 329.356 3.190 10 5 EGBERN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593329471 459846702 /nfs/dbraw/zinc/84/67/02/459846702.db2.gz YCMUBKUPKLXQPY-CQSZACIVSA-N 0 0 340.379 3.162 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598298045 459852576 /nfs/dbraw/zinc/85/25/76/459852576.db2.gz XGTWCIWLFACXLI-CVEARBPZSA-N 0 0 346.427 3.380 10 5 EGBERN CCc1ccc(C(=O)NCc2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000598316865 459863383 /nfs/dbraw/zinc/86/33/83/459863383.db2.gz TVKYHNMQAKUDEK-UHFFFAOYSA-N 0 0 342.399 3.088 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598322605 459866039 /nfs/dbraw/zinc/86/60/39/459866039.db2.gz MMCJKYHGQZFMSM-UHFFFAOYSA-N 0 0 348.790 3.179 10 5 EGBERN CC1(C)[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000598340762 459871581 /nfs/dbraw/zinc/87/15/81/459871581.db2.gz LHLJIGIRZQWKAC-CYBMUJFWSA-N 0 0 341.358 3.194 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598354349 459876903 /nfs/dbraw/zinc/87/69/03/459876903.db2.gz SLHRVSOKYRQHTB-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598355996 459877840 /nfs/dbraw/zinc/87/78/40/459877840.db2.gz YNQWLLXZZBPFAS-GFCCVEGCSA-N 0 0 343.383 3.250 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598366242 459879628 /nfs/dbraw/zinc/87/96/28/459879628.db2.gz IYUQORZHCOMJDP-XSRFYTQQSA-N 0 0 326.343 3.309 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])cc1F ZINC000598367647 459881086 /nfs/dbraw/zinc/88/10/86/459881086.db2.gz VQXHOECQNMMASN-WHXUTIOJSA-N 0 0 342.342 3.389 10 5 EGBERN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccn1C ZINC000586836231 459885104 /nfs/dbraw/zinc/88/51/04/459885104.db2.gz DWXSVJAMYPMJJQ-UHFFFAOYSA-N 0 0 338.161 3.257 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@](C)(C(F)F)C1 ZINC000597252166 459896009 /nfs/dbraw/zinc/89/60/09/459896009.db2.gz RMMNRPQUPJQECR-RCLKMUNOSA-N 0 0 326.343 3.354 10 5 EGBERN C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC[C@H]1C ZINC000593462694 459896647 /nfs/dbraw/zinc/89/66/47/459896647.db2.gz ZDPYOQISJYSYFK-OLZOCXBDSA-N 0 0 342.399 3.344 10 5 EGBERN Nc1cc(N2CC[C@@H](c3ccc(Cl)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587975715 459896993 /nfs/dbraw/zinc/89/69/93/459896993.db2.gz UWRVPKNTMVGXSD-GFCCVEGCSA-N 0 0 347.802 3.317 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000597255196 459897159 /nfs/dbraw/zinc/89/71/59/459897159.db2.gz SSILHPFOFTYYPC-HNNXBMFYSA-N 0 0 333.413 3.045 10 5 EGBERN C[C@H]1C[C@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979591 459897057 /nfs/dbraw/zinc/89/70/57/459897057.db2.gz PBROSBKCNXEBFW-JSGCOSHPSA-N 0 0 327.384 3.052 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986829 459897896 /nfs/dbraw/zinc/89/78/96/459897896.db2.gz BIANVTRIZJPANZ-INIZCTEOSA-N 0 0 343.427 3.435 10 5 EGBERN Nc1cc(N[C@H](Cc2ccccc2)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000587981987 459898292 /nfs/dbraw/zinc/89/82/92/459898292.db2.gz YXPKWHKPMMKUAQ-QGZVFWFLSA-N 0 0 327.384 3.103 10 5 EGBERN CCC[C@H](C)C(=O)NCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593472715 459900091 /nfs/dbraw/zinc/90/00/91/459900091.db2.gz IWVYOBAPNULAKG-LBPRGKRZSA-N 0 0 330.388 3.107 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000597266563 459900343 /nfs/dbraw/zinc/90/03/43/459900343.db2.gz PECAEQPXYQIKQS-UHFFFAOYSA-N 0 0 348.277 3.299 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCCC[C@@H]2CCCC[C@@H]2O)s1 ZINC000588002727 459900394 /nfs/dbraw/zinc/90/03/94/459900394.db2.gz FPNATPWVEGROFI-JQWIXIFHSA-N 0 0 336.417 3.343 10 5 EGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593474585 459900797 /nfs/dbraw/zinc/90/07/97/459900797.db2.gz DMZUNRIXCCRWIB-BTJFUOOYSA-N 0 0 325.368 3.003 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000593481312 459901390 /nfs/dbraw/zinc/90/13/90/459901390.db2.gz JUHLVWSYOGMVRV-GOSISDBHSA-N 0 0 343.358 3.001 10 5 EGBERN CCc1nn(C)c(N2CC[C@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593483149 459902313 /nfs/dbraw/zinc/90/23/13/459902313.db2.gz YYDPJQIVZGJMPO-KRWDZBQOSA-N 0 0 332.379 3.198 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@]2(CO)CCc3ccccc32)c2ccncc21 ZINC000593485328 459903531 /nfs/dbraw/zinc/90/35/31/459903531.db2.gz WPBCTQXQEIHQJD-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN CCCCC[C@@H]1CCCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000598462301 459903915 /nfs/dbraw/zinc/90/39/15/459903915.db2.gz YVUJVFUHFUVBQO-CYBMUJFWSA-N 0 0 334.420 3.028 10 5 EGBERN COC(=O)c1cc(N[C@H](C2CC2)C2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000593490642 459904895 /nfs/dbraw/zinc/90/48/95/459904895.db2.gz DAMMBBOVZJFJMX-MRXNPFEDSA-N 0 0 348.399 3.307 10 5 EGBERN Nc1cc(N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588039398 459905216 /nfs/dbraw/zinc/90/52/16/459905216.db2.gz ZPTAKGYHSRMATH-YEORSEQZSA-N 0 0 331.347 3.167 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598469893 459906714 /nfs/dbraw/zinc/90/67/14/459906714.db2.gz PLIGFLVJWREHIB-OAHLLOKOSA-N 0 0 342.370 3.465 10 5 EGBERN CNC(=O)c1ccc(N2CCc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000593503436 459908314 /nfs/dbraw/zinc/90/83/14/459908314.db2.gz KXPNHYHJBYNOKG-CYBMUJFWSA-N 0 0 339.395 3.121 10 5 EGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000588068469 459908518 /nfs/dbraw/zinc/90/85/18/459908518.db2.gz OQICCOGOGZUSJQ-OTYXRUKQSA-N 0 0 341.289 3.299 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@]2(CC2(F)F)C1 ZINC000593521158 459914543 /nfs/dbraw/zinc/91/45/43/459914543.db2.gz LNPVVSGMSNPUDV-HNNXBMFYSA-N 0 0 335.310 3.387 10 5 EGBERN O=C([C@H]1[C@@H]2COC[C@@H]21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597321683 459915013 /nfs/dbraw/zinc/91/50/13/459915013.db2.gz NQGYZSDFZCQTFD-PIIMJCKOSA-N 0 0 338.363 3.020 10 5 EGBERN Cc1cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575127014 459931523 /nfs/dbraw/zinc/93/15/23/459931523.db2.gz WLJYSTZAGOHONU-BETUJISGSA-N 0 0 335.404 3.276 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598573840 459944280 /nfs/dbraw/zinc/94/42/80/459944280.db2.gz PUTBJCCHXZFONY-GOSISDBHSA-N 0 0 337.379 3.286 10 5 EGBERN C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCO1 ZINC000597423013 459948185 /nfs/dbraw/zinc/94/81/85/459948185.db2.gz XJZQGIUTZBSRMP-DYVFJYSZSA-N 0 0 332.400 3.291 10 5 EGBERN CC(C)c1ccc(CN2CCOC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000593702255 459958176 /nfs/dbraw/zinc/95/81/76/459958176.db2.gz KOSYSPMRPDTUQN-GOSISDBHSA-N 0 0 344.415 3.025 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CC2(F)F)nc1OCc1ccccc1 ZINC000598638269 459972489 /nfs/dbraw/zinc/97/24/89/459972489.db2.gz NSRQTXWWWVEZSU-CYBMUJFWSA-N 0 0 349.337 3.448 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)nc1 ZINC000593755838 459975438 /nfs/dbraw/zinc/97/54/38/459975438.db2.gz SXHOTQUSWMYFGH-UHFFFAOYSA-N 0 0 347.396 3.080 10 5 EGBERN CCc1n[nH]c(C(=O)NC2(c3ccccc3Cl)CCC2)c1[N+](=O)[O-] ZINC000593760547 459976741 /nfs/dbraw/zinc/97/67/41/459976741.db2.gz VDXSRKOHHYUHNQ-UHFFFAOYSA-N 0 0 348.790 3.343 10 5 EGBERN CC[C@H](NC(=O)NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598656285 459981632 /nfs/dbraw/zinc/98/16/32/459981632.db2.gz GLEOVQXMLIEZNQ-YPMHNXCESA-N 0 0 327.331 3.390 10 5 EGBERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593784939 459985748 /nfs/dbraw/zinc/98/57/48/459985748.db2.gz WITYETRGAZSADH-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN CC[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](CC)CO1 ZINC000593790716 459986850 /nfs/dbraw/zinc/98/68/50/459986850.db2.gz JLQZMMQMSZPPFS-AAEUAGOBSA-N 0 0 331.372 3.106 10 5 EGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593792026 459987738 /nfs/dbraw/zinc/98/77/38/459987738.db2.gz GTZJSECUKSXJRV-OAHLLOKOSA-N 0 0 338.791 3.183 10 5 EGBERN O=C([C@H]1CCCC2(CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597548756 459991438 /nfs/dbraw/zinc/99/14/38/459991438.db2.gz OBLGPWSPKVJSKN-ZDUSSCGKSA-N 0 0 330.384 3.155 10 5 EGBERN C[C@H](Cc1ccsc1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588891039 459998222 /nfs/dbraw/zinc/99/82/22/459998222.db2.gz UREGQCLSJAMRMH-SECBINFHSA-N 0 0 340.351 3.224 10 5 EGBERN C[C@H]1CCC[C@H](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609676163 460007406 /nfs/dbraw/zinc/00/74/06/460007406.db2.gz NSXIDMUQRWFZAQ-UONOGXRCSA-N 0 0 340.445 3.231 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3cncn3C2)cc1[N+](=O)[O-] ZINC000597631107 460012528 /nfs/dbraw/zinc/01/25/28/460012528.db2.gz HZYPKKRTJJUXLP-GFCCVEGCSA-N 0 0 342.399 3.290 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]1C(F)(F)F ZINC000597666584 460022502 /nfs/dbraw/zinc/02/25/02/460022502.db2.gz RFXNAYANSZMNLC-VIFPVBQESA-N 0 0 342.195 3.390 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000597690891 460028107 /nfs/dbraw/zinc/02/81/07/460028107.db2.gz GCTZIFUJFKOECW-AWEZNQCLSA-N 0 0 340.383 3.051 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598786069 460034618 /nfs/dbraw/zinc/03/46/18/460034618.db2.gz ZIMHILXSAHFBBP-QWHCGFSZSA-N 0 0 326.343 3.325 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1NC(=O)CC12CCCCC2 ZINC000589164160 460041965 /nfs/dbraw/zinc/04/19/65/460041965.db2.gz QZOPUYITCPQOET-UHFFFAOYSA-N 0 0 347.415 3.322 10 5 EGBERN CN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000598832349 460056882 /nfs/dbraw/zinc/05/68/82/460056882.db2.gz VAOHDQXQXLRUQN-BXUZGUMPSA-N 0 0 325.315 3.168 10 5 EGBERN Cc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(N(C)C)nn1 ZINC000598853153 460068305 /nfs/dbraw/zinc/06/83/05/460068305.db2.gz HVUYWGPNDBSHJI-UHFFFAOYSA-N 0 0 343.387 3.135 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000610182205 460076394 /nfs/dbraw/zinc/07/63/94/460076394.db2.gz QNJGAUIQASNTAP-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCCc2cc(Cl)ccc21 ZINC000598876305 460079931 /nfs/dbraw/zinc/07/99/31/460079931.db2.gz YJCQIOSEBPDNGU-UHFFFAOYSA-N 0 0 348.790 3.123 10 5 EGBERN C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000598881197 460081518 /nfs/dbraw/zinc/08/15/18/460081518.db2.gz GULYYHLTSBFCKG-ZDUSSCGKSA-N 0 0 325.368 3.463 10 5 EGBERN CC(C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)(F)F ZINC000594061518 460081538 /nfs/dbraw/zinc/08/15/38/460081538.db2.gz DNUBIIHMZAHVBS-UHFFFAOYSA-N 0 0 338.257 3.360 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000594069801 460086071 /nfs/dbraw/zinc/08/60/71/460086071.db2.gz RFQCSFVNKSSMHY-DLBZAZTESA-N 0 0 346.427 3.336 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597866709 460086667 /nfs/dbraw/zinc/08/66/67/460086667.db2.gz YWSQFZYZAXIXCL-LBPRGKRZSA-N 0 0 345.374 3.326 10 5 EGBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C2CCCC1CCC2 ZINC000610235777 460090418 /nfs/dbraw/zinc/09/04/18/460090418.db2.gz CGYUZIQNRBJKDJ-UHFFFAOYSA-N 0 0 340.383 3.328 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598935199 460094677 /nfs/dbraw/zinc/09/46/77/460094677.db2.gz WWKZEXWMNSXHMC-UHFFFAOYSA-N 0 0 341.371 3.098 10 5 EGBERN COc1ccc(CN2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598935436 460094939 /nfs/dbraw/zinc/09/49/39/460094939.db2.gz HDNBLRNBDDGWFB-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN COc1cc(N2CCc3nc(C(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000598942061 460098223 /nfs/dbraw/zinc/09/82/23/460098223.db2.gz LEPVJGJCMSLUFR-UHFFFAOYSA-N 0 0 328.372 3.080 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594093767 460098070 /nfs/dbraw/zinc/09/80/70/460098070.db2.gz GAHGTTPQRWRAEY-HOTGVXAUSA-N 0 0 333.388 3.372 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594094083 460098204 /nfs/dbraw/zinc/09/82/04/460098204.db2.gz GIHPHWCGXPBWNC-RYUDHWBXSA-N 0 0 347.293 3.216 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000598961484 460104117 /nfs/dbraw/zinc/10/41/17/460104117.db2.gz MNFFCYUHODURJE-UHFFFAOYSA-N 0 0 329.347 3.466 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599001931 460124309 /nfs/dbraw/zinc/12/43/09/460124309.db2.gz ZJJATDMNSAXAHG-UWHVMBRKSA-N 0 0 335.404 3.075 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000597952942 460124759 /nfs/dbraw/zinc/12/47/59/460124759.db2.gz YLGCUDMEGIFLKR-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594165681 460135201 /nfs/dbraw/zinc/13/52/01/460135201.db2.gz QYFXRIHJGKRZJI-AAEUAGOBSA-N 0 0 346.305 3.133 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599045431 460138081 /nfs/dbraw/zinc/13/80/81/460138081.db2.gz HNOLKKJIOPTYRF-GXTWGEPZSA-N 0 0 342.399 3.202 10 5 EGBERN CC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594184425 460140062 /nfs/dbraw/zinc/14/00/62/460140062.db2.gz XEUAHLKSLVVFBB-DZGCQCFKSA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594185351 460140453 /nfs/dbraw/zinc/14/04/53/460140453.db2.gz HOFUEJWVNINELT-PBHICJAKSA-N 0 0 347.415 3.247 10 5 EGBERN COC(=O)CCC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599062414 460147940 /nfs/dbraw/zinc/14/79/40/460147940.db2.gz POSVFDBTUMBWFH-UHFFFAOYSA-N 0 0 343.383 3.313 10 5 EGBERN Cc1ccncc1N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599073457 460151659 /nfs/dbraw/zinc/15/16/59/460151659.db2.gz DQZQAASGTCNEJC-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CCC[C@@H](C)C(=O)NCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082172 460155312 /nfs/dbraw/zinc/15/53/12/460155312.db2.gz RWYNZLQRCIKZNH-GFCCVEGCSA-N 0 0 330.388 3.107 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC(F)(c2ccccc2F)C1 ZINC000589872456 460155720 /nfs/dbraw/zinc/15/57/20/460155720.db2.gz HUCWXCQMHCKLLH-UHFFFAOYSA-N 0 0 325.702 3.467 10 5 EGBERN CC(C)(C)N1C[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599110301 460163860 /nfs/dbraw/zinc/16/38/60/460163860.db2.gz PMOFKBWRCVUQOC-LBPRGKRZSA-N 0 0 342.399 3.202 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000599120113 460166190 /nfs/dbraw/zinc/16/61/90/460166190.db2.gz XSGZMLWOUBJHKF-AOOOYVTPSA-N 0 0 328.315 3.109 10 5 EGBERN COC(=O)c1cc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000599118741 460166362 /nfs/dbraw/zinc/16/63/62/460166362.db2.gz OXADDBSJMBLHNT-PHIMTYICSA-N 0 0 342.342 3.417 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2Cc3ccccc3CO2)s1 ZINC000599123700 460168177 /nfs/dbraw/zinc/16/81/77/460168177.db2.gz FSCZXNFFTGVTFE-LBPRGKRZSA-N 0 0 342.380 3.153 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599141020 460172913 /nfs/dbraw/zinc/17/29/13/460172913.db2.gz YCSQSOFUXONNDA-HNNXBMFYSA-N 0 0 342.395 3.167 10 5 EGBERN Cc1cc(Cc2noc(Cn3ccc(C(F)F)n3)n2)ccc1[N+](=O)[O-] ZINC000599142304 460174167 /nfs/dbraw/zinc/17/41/67/460174167.db2.gz TUTHAFOSBFTCHY-UHFFFAOYSA-N 0 0 349.297 3.059 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000599150531 460177539 /nfs/dbraw/zinc/17/75/39/460177539.db2.gz YSAXYUOANOTKHI-CTYIDZIISA-N 0 0 349.431 3.480 10 5 EGBERN COC(=O)c1cc(N2CCC(F)(F)C[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000599162630 460182133 /nfs/dbraw/zinc/18/21/33/460182133.db2.gz OPQJSOQKYAPRHX-SNVBAGLBSA-N 0 0 328.315 3.314 10 5 EGBERN CCOc1cc(NCC(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000599169539 460186069 /nfs/dbraw/zinc/18/60/69/460186069.db2.gz FSKOJPFEULVCIY-UHFFFAOYSA-N 0 0 335.404 3.054 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599173016 460186247 /nfs/dbraw/zinc/18/62/47/460186247.db2.gz JSSDRNQAZYKUNV-GEDWGEIESA-N 0 0 348.346 3.103 10 5 EGBERN CCOc1cccc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[N+](=O)[O-] ZINC000599172144 460186665 /nfs/dbraw/zinc/18/66/65/460186665.db2.gz CNCPSHXQUAAQPQ-DYVFJYSZSA-N 0 0 345.355 3.036 10 5 EGBERN CCc1nn(C)c(N2CC[C@H](c3ccc(OC)c(F)c3)C2)c1[N+](=O)[O-] ZINC000599192809 460195224 /nfs/dbraw/zinc/19/52/24/460195224.db2.gz IBKVDWBWCSGBBZ-LBPRGKRZSA-N 0 0 348.378 3.032 10 5 EGBERN C[C@@H](c1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1)c1cnccn1 ZINC000599194956 460196149 /nfs/dbraw/zinc/19/61/49/460196149.db2.gz NPIXIDHFPCFETM-NXEZZACHSA-N 0 0 343.318 3.211 10 5 EGBERN CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000599207060 460199806 /nfs/dbraw/zinc/19/98/06/460199806.db2.gz WATRQJAKEYXMOG-VDISTLRHSA-N 0 0 331.347 3.055 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000594400000 460206257 /nfs/dbraw/zinc/20/62/57/460206257.db2.gz VSPFQBJQEDYUKW-SJORKVTESA-N 0 0 343.383 3.154 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@]2(C)CC2(F)F)c1 ZINC000598215912 460207687 /nfs/dbraw/zinc/20/76/87/460207687.db2.gz NGRJJLZUMOLNCU-CYBMUJFWSA-N 0 0 330.356 3.482 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCOC2 ZINC000598227406 460213961 /nfs/dbraw/zinc/21/39/61/460213961.db2.gz QVOJGILMNPBSJJ-UHFFFAOYSA-N 0 0 326.352 3.239 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CCOC2 ZINC000598227266 460214634 /nfs/dbraw/zinc/21/46/34/460214634.db2.gz PHSAJGAMAMPKJY-UHFFFAOYSA-N 0 0 342.351 3.319 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COc2c1cccc2Cl ZINC000610709640 460222133 /nfs/dbraw/zinc/22/21/33/460222133.db2.gz HBZDIQAMVWPQOK-AWEZNQCLSA-N 0 0 332.743 3.420 10 5 EGBERN COc1cc(NC[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000610715456 460223450 /nfs/dbraw/zinc/22/34/50/460223450.db2.gz SCMSEMNQMXSNDV-KRWDZBQOSA-N 0 0 332.331 3.468 10 5 EGBERN COC(=O)c1cc(NCC2(CO)CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000610770252 460234658 /nfs/dbraw/zinc/23/46/58/460234658.db2.gz JKXXGCBAZAWNIK-UHFFFAOYSA-N 0 0 336.388 3.045 10 5 EGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000610928924 460262455 /nfs/dbraw/zinc/26/24/55/460262455.db2.gz YUJZDUQHNHDMHT-SSDOTTSWSA-N 0 0 333.735 3.398 10 5 EGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599506805 460263781 /nfs/dbraw/zinc/26/37/81/460263781.db2.gz JCLGGWWBMUOESW-HZMBPMFUSA-N 0 0 344.820 3.201 10 5 EGBERN CC(C)(C)c1ncc2c(n1)CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000599525597 460267576 /nfs/dbraw/zinc/26/75/76/460267576.db2.gz LUWMUGPSNZEFHD-UHFFFAOYSA-N 0 0 332.429 3.302 10 5 EGBERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000611033736 460280373 /nfs/dbraw/zinc/28/03/73/460280373.db2.gz GYALCKIDOUPDRK-QGZVFWFLSA-N 0 0 346.408 3.010 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599600083 460285975 /nfs/dbraw/zinc/28/59/75/460285975.db2.gz WXWPPGWCUCLTQO-HNNXBMFYSA-N 0 0 342.395 3.167 10 5 EGBERN CC[C@H](NC(=O)c1ocnc1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599635169 460293530 /nfs/dbraw/zinc/29/35/30/460293530.db2.gz NPBVHMWOVLUNHC-JTQLQIEISA-N 0 0 325.271 3.402 10 5 EGBERN CC(C)(NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000619363719 460335762 /nfs/dbraw/zinc/33/57/62/460335762.db2.gz IGARPAYDANILPO-UHFFFAOYSA-N 0 0 329.347 3.260 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611339188 460340570 /nfs/dbraw/zinc/34/05/70/460340570.db2.gz RABFVTRDWRBULN-RYUDHWBXSA-N 0 0 325.796 3.286 10 5 EGBERN CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829771 460342872 /nfs/dbraw/zinc/34/28/72/460342872.db2.gz LJGGYRQMVWBKFA-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN CCCCOCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830770 460342946 /nfs/dbraw/zinc/34/29/46/460342946.db2.gz LZTLUQUOFSNECA-UHFFFAOYSA-N 0 0 346.387 3.471 10 5 EGBERN CO[C@@H](C)CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000599829740 460343091 /nfs/dbraw/zinc/34/30/91/460343091.db2.gz KNANLJXZUZQPMH-LBPRGKRZSA-N 0 0 346.387 3.420 10 5 EGBERN CCC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OCC ZINC000599835069 460344537 /nfs/dbraw/zinc/34/45/37/460344537.db2.gz UFNUEYRPAIUTCK-LBPRGKRZSA-N 0 0 346.387 3.470 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)[C@H](C)O1 ZINC000599833434 460344676 /nfs/dbraw/zinc/34/46/76/460344676.db2.gz RNMHOZCMWCEEES-UTUOFQBUSA-N 0 0 344.371 3.173 10 5 EGBERN CCC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837460 460345565 /nfs/dbraw/zinc/34/55/65/460345565.db2.gz FPAZLUCEBAMTHB-NSHDSACASA-N 0 0 332.360 3.080 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC(CC(F)F)C1 ZINC000599839793 460346265 /nfs/dbraw/zinc/34/62/65/460346265.db2.gz PVWSXORJDMGWKB-UHFFFAOYSA-N 0 0 336.298 3.262 10 5 EGBERN CCC1(O)CCC(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611374444 460347286 /nfs/dbraw/zinc/34/72/86/460347286.db2.gz JEUZCFMQOQRDOZ-SFYCDEOASA-N 0 0 335.404 3.039 10 5 EGBERN O=C(CCC(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000619450050 460360383 /nfs/dbraw/zinc/36/03/83/460360383.db2.gz NGHGEAWZGORWGH-UHFFFAOYSA-N 0 0 326.221 3.275 10 5 EGBERN CCO[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000599987851 460366696 /nfs/dbraw/zinc/36/66/96/460366696.db2.gz SFUHBTACXIJOOC-RDJZCZTQSA-N 0 0 334.416 3.362 10 5 EGBERN COC(=O)c1cccc(NCc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000619525876 460374291 /nfs/dbraw/zinc/37/42/91/460374291.db2.gz BTQRKRAKEXCKCK-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1F ZINC000611494461 460376806 /nfs/dbraw/zinc/37/68/06/460376806.db2.gz RFJRIXSIPIWGKW-IUODEOHRSA-N 0 0 335.379 3.015 10 5 EGBERN COc1cc(CN2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502378 460378759 /nfs/dbraw/zinc/37/87/59/460378759.db2.gz RRTBNUZZOSNEDD-GXSJLCMTSA-N 0 0 348.321 3.385 10 5 EGBERN Cc1ccc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000619549764 460380376 /nfs/dbraw/zinc/38/03/76/460380376.db2.gz AELLYUQNXKAEHP-CABCVRRESA-N 0 0 331.416 3.496 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3/C=C\c3ccccc3)nn21 ZINC000611541432 460393581 /nfs/dbraw/zinc/39/35/81/460393581.db2.gz ICLKIUWCXXBGIB-CDNLZTBQSA-N 0 0 335.367 3.320 10 5 EGBERN Cn1ccnc1[C@@H](NCc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000611560268 460398645 /nfs/dbraw/zinc/39/86/45/460398645.db2.gz JLIRYFIUHPHMGR-HNNXBMFYSA-N 0 0 346.774 3.454 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)CC(F)(F)C3)o2)cc1 ZINC000615849424 460407845 /nfs/dbraw/zinc/40/78/45/460407845.db2.gz MAPALXHZBXDSLO-ZDUSSCGKSA-N 0 0 338.310 3.057 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611586058 460411089 /nfs/dbraw/zinc/41/10/89/460411089.db2.gz LCHUPWMNYWTEKH-VIFPVBQESA-N 0 0 334.706 3.092 10 5 EGBERN COC(=O)C(C)(C)[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617683 460415187 /nfs/dbraw/zinc/41/51/87/460415187.db2.gz UXDATILBIBZHRB-CYBMUJFWSA-N 0 0 335.404 3.022 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616741 460415251 /nfs/dbraw/zinc/41/52/51/460415251.db2.gz KFEYWIMCQUQOEE-IFMYKAFSSA-N 0 0 325.434 3.098 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600166326 460416168 /nfs/dbraw/zinc/41/61/68/460416168.db2.gz ZDOVTIZAGHDMRF-SNVBAGLBSA-N 0 0 346.305 3.160 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611655945 460423657 /nfs/dbraw/zinc/42/36/57/460423657.db2.gz JPGQZNDGFARCFG-UHFFFAOYSA-N 0 0 348.252 3.068 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC(Cc3ccco3)C2)c1 ZINC000600198366 460434866 /nfs/dbraw/zinc/43/48/66/460434866.db2.gz WYYIYCSPMDVEPK-UHFFFAOYSA-N 0 0 338.310 3.464 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000619784734 460444110 /nfs/dbraw/zinc/44/41/10/460444110.db2.gz NBMBTDLKMOZCFL-ZCFIWIBFSA-N 0 0 329.143 3.116 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccnc1OC(C)C ZINC000604562704 460449303 /nfs/dbraw/zinc/44/93/03/460449303.db2.gz WDGKFHBCPTUKBG-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ncccc1F ZINC000619867941 460457012 /nfs/dbraw/zinc/45/70/12/460457012.db2.gz NIRSGTIIBWQRIW-SECBINFHSA-N 0 0 328.303 3.101 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619871398 460459199 /nfs/dbraw/zinc/45/91/99/460459199.db2.gz GLOSDZNQSVLXDK-KBPBESRZSA-N 0 0 336.351 3.005 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271062 460462718 /nfs/dbraw/zinc/46/27/18/460462718.db2.gz GPRYDJSKSNNVDL-ZJUUUORDSA-N 0 0 326.805 3.358 10 5 EGBERN CCCOc1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000600368022 460484588 /nfs/dbraw/zinc/48/45/88/460484588.db2.gz XTMOQAOQTDNUQK-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000600385939 460487721 /nfs/dbraw/zinc/48/77/21/460487721.db2.gz FQROIWNMLAAKBE-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600477011 460502173 /nfs/dbraw/zinc/50/21/73/460502173.db2.gz RYFGDFOKSAXPIC-CYBMUJFWSA-N 0 0 331.347 3.470 10 5 EGBERN CC1(C(=O)CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000600487429 460505429 /nfs/dbraw/zinc/50/54/29/460505429.db2.gz UCVFVUQGICCOFV-UHFFFAOYSA-N 0 0 347.415 3.053 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600490884 460505450 /nfs/dbraw/zinc/50/54/50/460505450.db2.gz WPAZGJORHOZFJU-UHFFFAOYSA-N 0 0 339.273 3.140 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000600558792 460523318 /nfs/dbraw/zinc/52/33/18/460523318.db2.gz UNBFITHBCGZHMU-UHFFFAOYSA-N 0 0 336.335 3.488 10 5 EGBERN CC1(C)C[C@H](SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000600580464 460532090 /nfs/dbraw/zinc/53/20/90/460532090.db2.gz PRCBQLZAHKANBD-JTQLQIEISA-N 0 0 344.820 3.487 10 5 EGBERN COCCOCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000600586949 460534726 /nfs/dbraw/zinc/53/47/26/460534726.db2.gz YGPIMUNSNFWTQG-UHFFFAOYSA-N 0 0 346.383 3.379 10 5 EGBERN Cc1ccc(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601150451 460733651 /nfs/dbraw/zinc/73/36/51/460733651.db2.gz XIVUMCFJFUGNJX-UHFFFAOYSA-N 0 0 339.395 3.079 10 5 EGBERN Cc1cccc(CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC000601164313 460737353 /nfs/dbraw/zinc/73/73/53/460737353.db2.gz BFRJBYNREOFKMY-UHFFFAOYSA-N 0 0 343.309 3.095 10 5 EGBERN CC(=O)c1cccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601186076 460743476 /nfs/dbraw/zinc/74/34/76/460743476.db2.gz FDKWXDRUTLMAKS-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H](C)C1(F)F ZINC000601200922 460748476 /nfs/dbraw/zinc/74/84/76/460748476.db2.gz IWXOVLAWQZMMKY-RNFRBKRXSA-N 0 0 342.268 3.075 10 5 EGBERN Cc1nc(N2CCC(Oc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000601216848 460754574 /nfs/dbraw/zinc/75/45/74/460754574.db2.gz SXBILHGPLNIQJM-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000601224036 460756368 /nfs/dbraw/zinc/75/63/68/460756368.db2.gz XDSNZBDFAKZJON-OYNCUSHFSA-N 0 0 328.752 3.013 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000601225966 460756849 /nfs/dbraw/zinc/75/68/49/460756849.db2.gz CDVJMUHJIUVDBX-ZDUSSCGKSA-N 0 0 326.356 3.320 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCC3([C@H]4CCCCO4)CCC3)c2c1 ZINC000601242753 460763965 /nfs/dbraw/zinc/76/39/65/460763965.db2.gz XNIANOKWCVAFFQ-MRXNPFEDSA-N 0 0 342.399 3.111 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601246338 460764326 /nfs/dbraw/zinc/76/43/26/460764326.db2.gz QMZJOGCRATUMTI-LSDHHAIUSA-N 0 0 337.351 3.203 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000601281076 460774868 /nfs/dbraw/zinc/77/48/68/460774868.db2.gz LDCDHINBDZYHBO-BBWFWOEESA-N 0 0 332.400 3.225 10 5 EGBERN CN(Cc1cccn1C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601318827 460788057 /nfs/dbraw/zinc/78/80/57/460788057.db2.gz CPUWRFPXSGUTAF-UHFFFAOYSA-N 0 0 327.384 3.014 10 5 EGBERN O=C(NCc1ccc(O)c(F)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601341607 460791374 /nfs/dbraw/zinc/79/13/74/460791374.db2.gz GZZJYRYSGUUPDV-UHFFFAOYSA-N 0 0 344.342 3.178 10 5 EGBERN O=[N+]([O-])c1ccc(C2(c3nc(Cc4cccnc4)no3)CCC2)cc1 ZINC000601356597 460793871 /nfs/dbraw/zinc/79/38/71/460793871.db2.gz RTFGRZPCKWFTOZ-UHFFFAOYSA-N 0 0 336.351 3.434 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cnn3c2CCCC3)n1 ZINC000601363700 460795840 /nfs/dbraw/zinc/79/58/40/460795840.db2.gz UJIIQAVUDQEPEY-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CN(C[C@H]1CCCC[C@@H]1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601414179 460807404 /nfs/dbraw/zinc/80/74/04/460807404.db2.gz RVQHXKJLWSFYPP-PBHICJAKSA-N 0 0 346.427 3.026 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000601554509 460831460 /nfs/dbraw/zinc/83/14/60/460831460.db2.gz FKXKQRNGLIJCLE-OAHLLOKOSA-N 0 0 329.356 3.481 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000601603602 460844072 /nfs/dbraw/zinc/84/40/72/460844072.db2.gz KNVMTESCGJBRAW-SECBINFHSA-N 0 0 349.131 3.145 10 5 EGBERN C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)CC(F)F ZINC000601660281 460861171 /nfs/dbraw/zinc/86/11/71/460861171.db2.gz XSKOKTBNWBJEMD-LLVKDONJSA-N 0 0 326.343 3.424 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000601661469 460861229 /nfs/dbraw/zinc/86/12/29/460861229.db2.gz YPBXNSYKXGEQEL-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cscn1 ZINC000601666642 460862842 /nfs/dbraw/zinc/86/28/42/460862842.db2.gz MJJUEXFCCJNKNT-LLVKDONJSA-N 0 0 331.397 3.350 10 5 EGBERN C[C@@](CO)(NC(=O)[C@@H]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000601780800 460896382 /nfs/dbraw/zinc/89/63/82/460896382.db2.gz UTHXSAMTZFWMLK-ACJLOTCBSA-N 0 0 334.416 3.135 10 5 EGBERN COc1c(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000601856216 460927462 /nfs/dbraw/zinc/92/74/62/460927462.db2.gz ZSNDBFPMOVGDAK-HNNXBMFYSA-N 0 0 348.399 3.073 10 5 EGBERN O=C(NCC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000601858350 460928019 /nfs/dbraw/zinc/92/80/19/460928019.db2.gz YKLAEMPXJTYCDU-OAHLLOKOSA-N 0 0 336.363 3.203 10 5 EGBERN Cc1cc(C(=O)NCC2([C@H]3CCCCO3)CCC2)cc([N+](=O)[O-])c1 ZINC000601857059 460928491 /nfs/dbraw/zinc/92/84/91/460928491.db2.gz NMSUIEHPBNKORN-MRXNPFEDSA-N 0 0 332.400 3.372 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601878187 460933918 /nfs/dbraw/zinc/93/39/18/460933918.db2.gz URCOKSPXEDSOGH-RDJZCZTQSA-N 0 0 348.399 3.071 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601880606 460934626 /nfs/dbraw/zinc/93/46/26/460934626.db2.gz CGGIQRCKRLUXFR-DLBZAZTESA-N 0 0 346.427 3.336 10 5 EGBERN COCC[C@H]1CCCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000613435937 460948359 /nfs/dbraw/zinc/94/83/59/460948359.db2.gz QVMQHPVMAPSKJG-CYBMUJFWSA-N 0 0 330.388 3.181 10 5 EGBERN CC(C)(C)c1csc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 ZINC000154224690 526830499 /nfs/dbraw/zinc/83/04/99/526830499.db2.gz SRDMXFFJRONQGB-UHFFFAOYSA-N 0 0 345.380 3.145 10 5 EGBERN CC(C)(C)c1csc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 ZINC000154139811 526831562 /nfs/dbraw/zinc/83/15/62/526831562.db2.gz SNNNKHDNSGJKAT-UHFFFAOYSA-N 0 0 345.380 3.145 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000184158832 527527771 /nfs/dbraw/zinc/52/77/71/527527771.db2.gz PKFNWAXYHNFXJN-PTTWRRFTSA-N 0 0 330.384 3.072 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000132475313 527898921 /nfs/dbraw/zinc/89/89/21/527898921.db2.gz LLJFHELDVXSTMW-UONOGXRCSA-N 0 0 338.429 3.384 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(C)(C)O1 ZINC000189582573 529100624 /nfs/dbraw/zinc/10/06/24/529100624.db2.gz HYDLQCFHFDHMIM-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN CC(C)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000348040566 535089131 /nfs/dbraw/zinc/08/91/31/535089131.db2.gz DSDQIGDHESATOB-LBPRGKRZSA-N 0 0 336.335 3.390 10 5 EGBERN CC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000187893161 535865880 /nfs/dbraw/zinc/86/58/80/535865880.db2.gz RWHXDRWDFZZFFM-NSHDSACASA-N 0 0 335.385 3.249 10 5 EGBERN COc1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000341857826 536705119 /nfs/dbraw/zinc/70/51/19/536705119.db2.gz GUVBBUYQADHZLD-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000021587758 546523119 /nfs/dbraw/zinc/52/31/19/546523119.db2.gz ORIPXUXVHNCIAL-QGZVFWFLSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000726794418 574571856 /nfs/dbraw/zinc/57/18/56/574571856.db2.gz JDASGUOCPKJGLP-UHFFFAOYSA-N 0 0 345.735 3.463 10 5 EGBERN CCS[C@H](C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000727632661 574679274 /nfs/dbraw/zinc/67/92/74/574679274.db2.gz XNXPUEAAPLSVBL-HNNXBMFYSA-N 0 0 340.445 3.352 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000727826763 574692270 /nfs/dbraw/zinc/69/22/70/574692270.db2.gz ALHAJHYDIRBQJJ-SYJIQKIWSA-N 0 0 348.399 3.134 10 5 EGBERN O=C(OCc1cccnc1Cl)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000729710457 574880578 /nfs/dbraw/zinc/88/05/78/574880578.db2.gz OCWTYLKHIRKZBQ-UHFFFAOYSA-N 0 0 331.715 3.482 10 5 EGBERN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000730451962 574988700 /nfs/dbraw/zinc/98/87/00/574988700.db2.gz GKBFIUQWECCBBF-DLBZAZTESA-N 0 0 325.368 3.403 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1c[nH]c2ccccc12 ZINC000731517291 575079012 /nfs/dbraw/zinc/07/90/12/575079012.db2.gz PAWUDHIMMMCINB-UHFFFAOYSA-N 0 0 342.282 3.255 10 5 EGBERN O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 ZINC000731528983 575079548 /nfs/dbraw/zinc/07/95/48/575079548.db2.gz SDQZTACTXCEKKB-UHFFFAOYSA-N 0 0 342.282 3.255 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732402999 575266870 /nfs/dbraw/zinc/26/68/70/575266870.db2.gz YWGUAQHFCDNIPO-SREVYHEPSA-N 0 0 340.763 3.332 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000732403517 575267151 /nfs/dbraw/zinc/26/71/51/575267151.db2.gz UDYPMCNIHREOIC-SREVYHEPSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1ccc(C(=O)C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000734782255 575551521 /nfs/dbraw/zinc/55/15/21/575551521.db2.gz RAODTUHENHBVEW-UHFFFAOYSA-N 0 0 333.727 3.483 10 5 EGBERN COC(=O)c1cc(C(=O)OC[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000735128193 575606959 /nfs/dbraw/zinc/60/69/59/575606959.db2.gz WHJSEFUQCKRQNB-GFCCVEGCSA-N 0 0 343.335 3.342 10 5 EGBERN C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)C[C@H](C)O1 ZINC000735486903 575668564 /nfs/dbraw/zinc/66/85/64/575668564.db2.gz KXGZEFFKGSMHMS-STQMWFEESA-N 0 0 328.372 3.347 10 5 EGBERN C[C@@H](OC(=O)[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000741006074 576644938 /nfs/dbraw/zinc/64/49/38/576644938.db2.gz ZOMBDBIPMUTIIP-DYVFJYSZSA-N 0 0 329.352 3.193 10 5 EGBERN C[C@H](OC(=O)[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000741006075 576644939 /nfs/dbraw/zinc/64/49/39/576644939.db2.gz ZOMBDBIPMUTIIP-GUYCJALGSA-N 0 0 329.352 3.193 10 5 EGBERN Cc1cnc(NCc2ccc(N3CCCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000742429879 576783555 /nfs/dbraw/zinc/78/35/55/576783555.db2.gz LTXUYFBZAWAOOZ-UHFFFAOYSA-N 0 0 340.383 3.427 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000744261765 576824163 /nfs/dbraw/zinc/82/41/63/576824163.db2.gz ZFZNMCHRXIEBJM-MRXNPFEDSA-N 0 0 331.372 3.054 10 5 EGBERN O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1csc([N+](=O)[O-])c1 ZINC000744795078 576834578 /nfs/dbraw/zinc/83/45/78/576834578.db2.gz BXOLENHIEYXLDY-UHFFFAOYSA-N 0 0 347.327 3.338 10 5 EGBERN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000745331940 576845940 /nfs/dbraw/zinc/84/59/40/576845940.db2.gz SUGSEVGWXUESPP-SNVBAGLBSA-N 0 0 333.344 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(-n3ccnn3)c2)c1 ZINC000136836132 1293823984 /nfs/dbraw/zinc/82/39/84/1293823984.db2.gz URUIOJRIRQOGGI-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1=COCCC1 ZINC000152784703 1293985651 /nfs/dbraw/zinc/98/56/51/1293985651.db2.gz GMNIPGXLEGBMAS-UHFFFAOYSA-N 0 0 342.145 3.095 10 5 EGBERN CC(=O)N1CC[C@H](OC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000870562200 1295941522 /nfs/dbraw/zinc/94/15/22/1295941522.db2.gz FETAABPCLCNKLZ-AWEZNQCLSA-N 0 0 346.364 3.311 10 5 EGBERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000870730505 1296049511 /nfs/dbraw/zinc/04/95/11/1296049511.db2.gz UZGIXSRZHQSIJZ-GHMZBOCLSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)c1 ZINC000870822813 1296102038 /nfs/dbraw/zinc/10/20/38/1296102038.db2.gz SBIMZYKAIXGYTB-MGCOHNPYSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(Cc1cccc(C2CC2)c1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828166 1296106599 /nfs/dbraw/zinc/10/65/99/1296106599.db2.gz LNHLGRZVBDAUGZ-UHFFFAOYSA-N 0 0 341.367 3.158 10 5 EGBERN Cc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000870827544 1296106614 /nfs/dbraw/zinc/10/66/14/1296106614.db2.gz AEKBSXFSOZSKJY-UHFFFAOYSA-N 0 0 335.747 3.314 10 5 EGBERN C[C@@H](Cc1ccccc1F)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829779 1296107668 /nfs/dbraw/zinc/10/76/68/1296107668.db2.gz QIKWKMVCFVAVOS-ZOODHJKOSA-N 0 0 347.346 3.056 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cscc1Cl ZINC000870830462 1296107964 /nfs/dbraw/zinc/10/79/64/1296107964.db2.gz CLRWMJPYUUCNKB-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000871092649 1296221004 /nfs/dbraw/zinc/22/10/04/1296221004.db2.gz VQSDYDYFWWCTMN-FBIMIBRVSA-N 0 0 344.820 3.026 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000871199387 1296270368 /nfs/dbraw/zinc/27/03/68/1296270368.db2.gz POCVRQICHUNJLV-CQDKDKBSSA-N 0 0 338.791 3.014 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871309320 1296339185 /nfs/dbraw/zinc/33/91/85/1296339185.db2.gz FFIFZUQLFCULLN-SPUZQDLCSA-N 0 0 344.411 3.020 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CNc1ccn(CCF)n1 ZINC000871862182 1296577047 /nfs/dbraw/zinc/57/70/47/1296577047.db2.gz MIJGJMHFGKSKFS-UHFFFAOYSA-N 0 0 343.156 3.135 10 5 EGBERN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872044869 1296694528 /nfs/dbraw/zinc/69/45/28/1296694528.db2.gz GTRGFYFVJKADBK-TVQRCGJNSA-N 0 0 340.301 3.396 10 5 EGBERN COCC(C)(C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000872104744 1296731497 /nfs/dbraw/zinc/73/14/97/1296731497.db2.gz OKRKUKWQHXUNNU-INIZCTEOSA-N 0 0 346.431 3.070 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000872302541 1296906612 /nfs/dbraw/zinc/90/66/12/1296906612.db2.gz CVQJCPNMPFVNMB-OCCSQVGLSA-N 0 0 344.289 3.055 10 5 EGBERN CC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000872669571 1297047248 /nfs/dbraw/zinc/04/72/48/1297047248.db2.gz YAJJBOHTKZSQAC-UHFFFAOYSA-N 0 0 325.368 3.462 10 5 EGBERN C[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000312220466 1297115454 /nfs/dbraw/zinc/11/54/54/1297115454.db2.gz DNBFEUJLWRXSRR-IUCAKERBSA-N 0 0 342.193 3.061 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)OCc1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC000873552317 1297578455 /nfs/dbraw/zinc/57/84/55/1297578455.db2.gz MSLSLEDIEUUEAW-ROUUACIJSA-N 0 0 349.383 3.188 10 5 EGBERN CCO[C@H]1COCC[C@@H]1CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873560670 1297582624 /nfs/dbraw/zinc/58/26/24/1297582624.db2.gz IXTSMRMHIDRPPW-ZENOOKHLSA-N 0 0 337.372 3.031 10 5 EGBERN CC[C@H]1C[C@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000585125452 1298033030 /nfs/dbraw/zinc/03/30/30/1298033030.db2.gz SSXIFMVQGUCUND-DOMZBBRYSA-N 0 0 343.383 3.099 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 ZINC000877910457 1299635228 /nfs/dbraw/zinc/63/52/28/1299635228.db2.gz OXXMLRPFVVTYCW-GFCCVEGCSA-N 0 0 342.351 3.247 10 5 EGBERN C[C@@H](CCC1CC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879510804 1300572440 /nfs/dbraw/zinc/57/24/40/1300572440.db2.gz KBFPSJKXHWZPBQ-NSHDSACASA-N 0 0 334.372 3.065 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)OC1 ZINC000881514773 1301590521 /nfs/dbraw/zinc/59/05/21/1301590521.db2.gz CEJTVUAKUCLLLW-HRCADAONSA-N 0 0 332.400 3.020 10 5 EGBERN CC(=O)c1c(N[C@@H](C)Cc2c(C)nn(C)c2C)cccc1[N+](=O)[O-] ZINC000882018863 1301788831 /nfs/dbraw/zinc/78/88/31/1301788831.db2.gz FCGXQGZTZJAKCE-JTQLQIEISA-N 0 0 330.388 3.191 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000882165319 1301856401 /nfs/dbraw/zinc/85/64/01/1301856401.db2.gz VQVOOTJZKATNOV-SFHVURJKSA-N 0 0 344.342 3.034 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000882552600 1302017150 /nfs/dbraw/zinc/01/71/50/1302017150.db2.gz GZEJMESBMQBWAQ-SICOMBFOSA-N 0 0 330.384 3.216 10 5 EGBERN O=C(N[C@@H]1CCC[C@]12CCCO2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000882612187 1302034645 /nfs/dbraw/zinc/03/46/45/1302034645.db2.gz OCTPVXKPCXXHJU-WBVHZDCISA-N 0 0 330.340 3.173 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cccc(F)c2)CC1 ZINC000882699305 1302065787 /nfs/dbraw/zinc/06/57/87/1302065787.db2.gz PWNREPWRSAPDPE-UHFFFAOYSA-N 0 0 343.358 3.263 10 5 EGBERN C[C@H](NC(=O)NCC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378034 1302830545 /nfs/dbraw/zinc/83/05/45/1302830545.db2.gz FPSXPKLVKNSYRL-SWLSCSKDSA-N 0 0 335.404 3.160 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000888117026 1304037464 /nfs/dbraw/zinc/03/74/64/1304037464.db2.gz WXGFUODXOAJBQQ-OAHLLOKOSA-N 0 0 332.400 3.293 10 5 EGBERN O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000888801488 1304280486 /nfs/dbraw/zinc/28/04/86/1304280486.db2.gz FKEAKPINPSKIDF-WFASDCNBSA-N 0 0 326.356 3.155 10 5 EGBERN Cc1c(CNC(=O)C[C@@H]2CCC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000890173834 1304692788 /nfs/dbraw/zinc/69/27/88/1304692788.db2.gz ANRILHWLAAERLW-HNNXBMFYSA-N 0 0 332.400 3.259 10 5 EGBERN C/C(=C/C(=O)OCc1c(C)nn(C)c1C)c1ccc([N+](=O)[O-])cc1 ZINC000893322690 1305830180 /nfs/dbraw/zinc/83/01/80/1305830180.db2.gz YAPRSDSRESODIE-LUAWRHEFSA-N 0 0 329.356 3.092 10 5 EGBERN COc1ccc(C(=O)O[C@H]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000893484442 1305918183 /nfs/dbraw/zinc/91/81/83/1305918183.db2.gz WLXODRHNGOECOQ-ZFWWWQNUSA-N 0 0 337.372 3.211 10 5 EGBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000893516687 1305944736 /nfs/dbraw/zinc/94/47/36/1305944736.db2.gz AEDXXSKQJBREAJ-RISCZKNCSA-N 0 0 347.396 3.269 10 5 EGBERN COCC1CC(OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000893642145 1306002511 /nfs/dbraw/zinc/00/25/11/1306002511.db2.gz FISGASOADAVZLE-UHFFFAOYSA-N 0 0 333.262 3.195 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCOC1 ZINC000893857381 1306101026 /nfs/dbraw/zinc/10/10/26/1306101026.db2.gz NVSUDJMAXYQOIA-DOMZBBRYSA-N 0 0 343.383 3.078 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000894503449 1308926962 /nfs/dbraw/zinc/92/69/62/1308926962.db2.gz JJKCIXVVQGRYJY-ZDUSSCGKSA-N 0 0 342.342 3.008 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895209144 1309240209 /nfs/dbraw/zinc/24/02/09/1309240209.db2.gz ZXUQHTNRBSUMCJ-MURWCNHISA-N 0 0 333.775 3.004 10 5 EGBERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccccc1[N+](=O)[O-] ZINC000895755810 1309505900 /nfs/dbraw/zinc/50/59/00/1309505900.db2.gz AOECGTAZUKWMQS-NSHDSACASA-N 0 0 344.392 3.108 10 5 EGBERN C[C@@H](CNC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000896468997 1309871660 /nfs/dbraw/zinc/87/16/60/1309871660.db2.gz DMMJEYKIJICYQX-XCRHUMRWSA-N 0 0 347.415 3.099 10 5 EGBERN CC(=O)c1ccc(N[C@H]2c3ccccc3CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000896671681 1309968574 /nfs/dbraw/zinc/96/85/74/1309968574.db2.gz LPCRWTTWSQQWNJ-MSOLQXFVSA-N 0 0 326.352 3.258 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1C ZINC000896855084 1310053531 /nfs/dbraw/zinc/05/35/31/1310053531.db2.gz HLRQBKVWJNWHSM-ZDUSSCGKSA-N 0 0 348.399 3.015 10 5 EGBERN CC(=O)c1c(NCC[C@@H](NC2CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000897227671 1310231367 /nfs/dbraw/zinc/23/13/67/1310231367.db2.gz GDGHJZFJPQXBSK-CYBMUJFWSA-N 0 0 345.321 3.282 10 5 EGBERN Cc1sc(C(=O)N2CC(Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000898452116 1310743579 /nfs/dbraw/zinc/74/35/79/1310743579.db2.gz QYQDWLYBAUPSNY-UHFFFAOYSA-N 0 0 335.360 3.040 10 5 EGBERN Cc1c(OC(=O)[C@H]2COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000857580038 1328553471 /nfs/dbraw/zinc/55/34/71/1328553471.db2.gz MTFBHSJLOQSBEA-GJZGRUSLSA-N 0 0 327.336 3.239 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC000857635780 1328570989 /nfs/dbraw/zinc/57/09/89/1328570989.db2.gz YRNULHZYFCZWNW-UHFFFAOYSA-N 0 0 345.311 3.415 10 5 EGBERN Cc1ncccc1[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000857665249 1328578882 /nfs/dbraw/zinc/57/88/82/1328578882.db2.gz MVWNUGVFGPXFHE-LLVKDONJSA-N 0 0 345.311 3.433 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc(F)ccc21 ZINC000857896004 1328617151 /nfs/dbraw/zinc/61/71/51/1328617151.db2.gz HRTDFYVVEPYWGK-ZDUSSCGKSA-N 0 0 343.358 3.287 10 5 EGBERN Cc1ccc(O[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858041394 1328668627 /nfs/dbraw/zinc/66/86/27/1328668627.db2.gz UIXLVMAKIKLPSX-ZDUSSCGKSA-N 0 0 349.337 3.230 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000899458571 1317045116 /nfs/dbraw/zinc/04/51/16/1317045116.db2.gz ZNOWAQXSEBGUOA-LLVKDONJSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1csc(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000899536874 1317078155 /nfs/dbraw/zinc/07/81/55/1317078155.db2.gz JNUALLRGZZQBOI-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000899689656 1317135296 /nfs/dbraw/zinc/13/52/96/1317135296.db2.gz TWIAZJBVDALCHK-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(c2ccccn2)C1 ZINC000913380745 1319018122 /nfs/dbraw/zinc/01/81/22/1319018122.db2.gz VRFRUNAZZGQXQQ-HNNXBMFYSA-N 0 0 339.395 3.185 10 5 EGBERN CCc1nc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c(C)o1 ZINC000913384900 1319020261 /nfs/dbraw/zinc/02/02/61/1319020261.db2.gz ISYGVJXWNAZXQM-UHFFFAOYSA-N 0 0 341.726 3.176 10 5 EGBERN CO[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000913386104 1319020925 /nfs/dbraw/zinc/02/09/25/1319020925.db2.gz NXKVVJADLJXVLK-AWEZNQCLSA-N 0 0 344.770 3.209 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CCCC(C)(F)F)CC2 ZINC000914326563 1319296841 /nfs/dbraw/zinc/29/68/41/1319296841.db2.gz MNPNSOHQRSKTRX-UHFFFAOYSA-N 0 0 348.371 3.031 10 5 EGBERN COc1ccc(CCC2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000914566365 1319346397 /nfs/dbraw/zinc/34/63/97/1319346397.db2.gz ZFVWEWFILNBXEL-UHFFFAOYSA-N 0 0 344.415 3.102 10 5 EGBERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000915129794 1319430185 /nfs/dbraw/zinc/43/01/85/1319430185.db2.gz OMKQOPPMNZPFCZ-BZNIZROVSA-N 0 0 340.335 3.409 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000930315460 1328832145 /nfs/dbraw/zinc/83/21/45/1328832145.db2.gz JSEBXRYXQFKVHF-HIFRSBDPSA-N 0 0 333.388 3.291 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1CCc1cccc(F)c1 ZINC000916772564 1319706284 /nfs/dbraw/zinc/70/62/84/1319706284.db2.gz GHYPFXWKQAOIGL-UHFFFAOYSA-N 0 0 328.141 3.244 10 5 EGBERN Cc1nn(C[C@@H]2CC[C@@H](C(F)(F)F)O2)c2ccc([N+](=O)[O-])cc12 ZINC000917332868 1319790040 /nfs/dbraw/zinc/79/00/40/1319790040.db2.gz ZXKKBYWJTHBNFT-GWCFXTLKSA-N 0 0 329.278 3.363 10 5 EGBERN O=c1c2ccccc2n(C[C@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000917762407 1319869080 /nfs/dbraw/zinc/86/90/80/1319869080.db2.gz YKOVUAKHRJBPGD-CYBMUJFWSA-N 0 0 328.368 3.259 10 5 EGBERN O=c1c2ccccc2n(C[C@@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000917762410 1319869172 /nfs/dbraw/zinc/86/91/72/1319869172.db2.gz YKOVUAKHRJBPGD-ZDUSSCGKSA-N 0 0 328.368 3.259 10 5 EGBERN O=c1c2ccccc2n(C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000917758975 1319869576 /nfs/dbraw/zinc/86/95/76/1319869576.db2.gz CICZFTHIPOPADA-TVQRCGJNSA-N 0 0 342.273 3.020 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)c(F)cc1F ZINC000917830036 1319878500 /nfs/dbraw/zinc/87/85/00/1319878500.db2.gz WQGKGNOFLMKOBU-UPONEAKYSA-N 0 0 327.205 3.362 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCN1C(=O)OC(C)(C)C ZINC000858846359 1328874900 /nfs/dbraw/zinc/87/49/00/1328874900.db2.gz TZQJNQDYWPRGGT-ZJUUUORDSA-N 0 0 327.406 3.466 10 5 EGBERN C[C@@]1(Cc2cccs2)CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930621702 1328918043 /nfs/dbraw/zinc/91/80/43/1328918043.db2.gz VWQMFZSEDQWDHA-INIZCTEOSA-N 0 0 346.412 3.102 10 5 EGBERN Cc1noc(C)c1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930676401 1328933460 /nfs/dbraw/zinc/93/34/60/1328933460.db2.gz WYNBSEIDNJJYMT-UHFFFAOYSA-N 0 0 337.763 3.102 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)ccc1[N+](=O)[O-] ZINC000930732628 1328952996 /nfs/dbraw/zinc/95/29/96/1328952996.db2.gz PJWSIPGWFUSTPS-ZDUSSCGKSA-N 0 0 343.387 3.048 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000930771404 1328965820 /nfs/dbraw/zinc/96/58/20/1328965820.db2.gz DFSZYEVNSZETBO-NSHDSACASA-N 0 0 339.417 3.399 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCN(C2CCC2)CC1 ZINC000859374516 1328978259 /nfs/dbraw/zinc/97/82/59/1328978259.db2.gz JUQMLAQNFHYOAU-UHFFFAOYSA-N 0 0 339.395 3.058 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(F)(C2CC2)CC1 ZINC000930884058 1328996035 /nfs/dbraw/zinc/99/60/35/1328996035.db2.gz NBPHFQUYSSMFCJ-UHFFFAOYSA-N 0 0 337.351 3.349 10 5 EGBERN CC(C)n1ncc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1Cl ZINC000859481848 1328998412 /nfs/dbraw/zinc/99/84/12/1328998412.db2.gz NWPIOQOICFVZIX-UHFFFAOYSA-N 0 0 334.763 3.229 10 5 EGBERN Cc1nc(COC(=O)c2csc([N+](=O)[O-])c2)nc2ccccc12 ZINC000919371322 1322062076 /nfs/dbraw/zinc/06/20/76/1322062076.db2.gz JDNRBEQPOJKAPV-UHFFFAOYSA-N 0 0 329.337 3.265 10 5 EGBERN C/C(=C\C(=O)N1CC(CC2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000919751915 1322103456 /nfs/dbraw/zinc/10/34/56/1322103456.db2.gz HDPQNLHJGGEFAC-GXDHUFHOSA-N 0 0 344.411 3.273 10 5 EGBERN CC(C)COc1ccc(COC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000920006635 1322127276 /nfs/dbraw/zinc/12/72/76/1322127276.db2.gz AUBZBGRTAVPQKQ-UHFFFAOYSA-N 0 0 332.356 3.325 10 5 EGBERN CC1(C)CO[C@@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)C1 ZINC000920418049 1322175342 /nfs/dbraw/zinc/17/53/42/1322175342.db2.gz XALGKXRDWVXLNI-GFCCVEGCSA-N 0 0 336.779 3.322 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000921337053 1322295778 /nfs/dbraw/zinc/29/57/78/1322295778.db2.gz DGFJGYSIHSCAIV-SUMWQHHRSA-N 0 0 335.404 3.223 10 5 EGBERN C[C@@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000921365377 1322301927 /nfs/dbraw/zinc/30/19/27/1322301927.db2.gz LEIAIUQXYJBLTA-ZYHUDNBSSA-N 0 0 348.371 3.011 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000921680602 1322376904 /nfs/dbraw/zinc/37/69/04/1322376904.db2.gz KIPCVWYGORWPBQ-AWEZNQCLSA-N 0 0 349.431 3.030 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922536568 1322551755 /nfs/dbraw/zinc/55/17/55/1322551755.db2.gz XUEFYJXIYSSTLK-GUYCJALGSA-N 0 0 337.379 3.468 10 5 EGBERN Cc1c(CC(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000922547802 1322554075 /nfs/dbraw/zinc/55/40/75/1322554075.db2.gz XOUACZAETKIMGD-LMKPVCQUSA-N 0 0 325.311 3.280 10 5 EGBERN Cc1cc(OCC(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000922693661 1322592891 /nfs/dbraw/zinc/59/28/91/1322592891.db2.gz HEXLTDHOJGCZIS-LMKPVCQUSA-N 0 0 341.310 3.117 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923035155 1322680032 /nfs/dbraw/zinc/68/00/32/1322680032.db2.gz JDQAREOPEGPPIQ-KYOSRNDESA-N 0 0 335.404 3.301 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000923067286 1322686390 /nfs/dbraw/zinc/68/63/90/1322686390.db2.gz DMJSIMMQMBVUFT-PXAZEXFGSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1cc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)ncn1 ZINC000923598623 1322779204 /nfs/dbraw/zinc/77/92/04/1322779204.db2.gz NFBSBXAIBQNPIH-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN Cc1sc(C(=O)N(C)[C@@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000923734659 1322800775 /nfs/dbraw/zinc/80/07/75/1322800775.db2.gz RPSFOQIRTYUTQA-AWEZNQCLSA-N 0 0 334.397 3.079 10 5 EGBERN Cc1ccc(-c2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)cc1[N+](=O)[O-] ZINC000923820419 1322817380 /nfs/dbraw/zinc/81/73/80/1322817380.db2.gz JIXHJDBGWJTWKW-HIFRSBDPSA-N 0 0 329.356 3.453 10 5 EGBERN Cc1ccc(-c2noc(C[C@@H]3CC[C@H](C4CC4)O3)n2)cc1[N+](=O)[O-] ZINC000923820409 1322817565 /nfs/dbraw/zinc/81/75/65/1322817565.db2.gz JIXHJDBGWJTWKW-DZGCQCFKSA-N 0 0 329.356 3.453 10 5 EGBERN Cc1ccc(-c2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)cc1[N+](=O)[O-] ZINC000923820422 1322817690 /nfs/dbraw/zinc/81/76/90/1322817690.db2.gz JIXHJDBGWJTWKW-UKRRQHHQSA-N 0 0 329.356 3.453 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000923885609 1322836098 /nfs/dbraw/zinc/83/60/98/1322836098.db2.gz GKTBYUKNQPXHTL-HIFRSBDPSA-N 0 0 329.356 3.453 10 5 EGBERN Cc1c(Cc2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000923950867 1322853481 /nfs/dbraw/zinc/85/34/81/1322853481.db2.gz NOMVQBYYTAZDSY-GDBMZVCRSA-N 0 0 343.383 3.377 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000923959273 1322855992 /nfs/dbraw/zinc/85/59/92/1322855992.db2.gz YGYPKFTVRYFKKO-NHYWBVRUSA-N 0 0 328.372 3.104 10 5 EGBERN Cc1nc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])sc1C ZINC000923965700 1322858170 /nfs/dbraw/zinc/85/81/70/1322858170.db2.gz YHRRQNUHRKLWJP-UHFFFAOYSA-N 0 0 338.360 3.483 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000924020094 1322875200 /nfs/dbraw/zinc/87/52/00/1322875200.db2.gz SDKRZCYMUUVGFG-XPKDYRNWSA-N 0 0 335.404 3.160 10 5 EGBERN CCO[C@H](COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000859672270 1329051086 /nfs/dbraw/zinc/05/10/86/1329051086.db2.gz CQQORLPOHQDSOQ-CQSZACIVSA-N 0 0 345.754 3.288 10 5 EGBERN C[C@H]1C[C@@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924240216 1322948917 /nfs/dbraw/zinc/94/89/17/1322948917.db2.gz IIADCIUGWFTNGI-JQWIXIFHSA-N 0 0 327.764 3.149 10 5 EGBERN CCCCC1(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000924429546 1323021440 /nfs/dbraw/zinc/02/14/40/1323021440.db2.gz ZVDWGRCYFZPNND-UHFFFAOYSA-N 0 0 334.372 3.071 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC2(C1)CCOCC2 ZINC000859752386 1329071236 /nfs/dbraw/zinc/07/12/36/1329071236.db2.gz KBPHHWANBMPXQD-UHFFFAOYSA-N 0 0 340.379 3.391 10 5 EGBERN O=C(OCCOC1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811751 1329083155 /nfs/dbraw/zinc/08/31/55/1329083155.db2.gz UCUAUUNELCWIKE-UHFFFAOYSA-N 0 0 345.351 3.100 10 5 EGBERN COC[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000931296816 1329087853 /nfs/dbraw/zinc/08/78/53/1329087853.db2.gz AAFZXXJGGUHTJD-SNVBAGLBSA-N 0 0 329.784 3.288 10 5 EGBERN CCOC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859840411 1329093869 /nfs/dbraw/zinc/09/38/69/1329093869.db2.gz ZNSMXTFVQZRMJV-CYBMUJFWSA-N 0 0 328.368 3.247 10 5 EGBERN CC[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)c1cccc([N+](=O)[O-])c1 ZINC000859908568 1329109865 /nfs/dbraw/zinc/10/98/65/1329109865.db2.gz NCBYGIIWYHBVFO-MBNYWOFBSA-N 0 0 341.205 3.336 10 5 EGBERN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054004 1329135757 /nfs/dbraw/zinc/13/57/57/1329135757.db2.gz FNEPSUKEBTXDNI-MNOVXSKESA-N 0 0 334.401 3.038 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C)CC1 ZINC000931627101 1329156111 /nfs/dbraw/zinc/15/61/11/1329156111.db2.gz XNMKAXUFKLMZCA-JTQLQIEISA-N 0 0 327.768 3.199 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860259323 1329184224 /nfs/dbraw/zinc/18/42/24/1329184224.db2.gz CDFAMWFJENCOKI-JTQLQIEISA-N 0 0 327.768 3.186 10 5 EGBERN CN(OCC(F)(F)F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860260772 1329184320 /nfs/dbraw/zinc/18/43/20/1329184320.db2.gz MLXJGYJRBQXBNG-UHFFFAOYSA-N 0 0 327.646 3.206 10 5 EGBERN CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238732 1325091466 /nfs/dbraw/zinc/09/14/66/1325091466.db2.gz VUAYCMFQESEZIH-GFCCVEGCSA-N 0 0 348.428 3.387 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925240271 1325092697 /nfs/dbraw/zinc/09/26/97/1325092697.db2.gz OPWXXWRXIMNFCU-ZWNOBZJWSA-N 0 0 343.330 3.069 10 5 EGBERN C[S@](=O)(=NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000926010106 1325388138 /nfs/dbraw/zinc/38/81/38/1325388138.db2.gz BIFMQFDHMIFPGK-JOCHJYFZSA-N 0 0 328.365 3.305 10 5 EGBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000860318576 1329304278 /nfs/dbraw/zinc/30/42/78/1329304278.db2.gz YXSAXLXQDOHUFR-BDAKNGLRSA-N 0 0 348.277 3.054 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860399456 1329313278 /nfs/dbraw/zinc/31/32/78/1329313278.db2.gz JLGLIUJTYVIHDB-ZDUSSCGKSA-N 0 0 328.368 3.435 10 5 EGBERN CN(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860517774 1329326362 /nfs/dbraw/zinc/32/63/62/1329326362.db2.gz BCUQFBHSLBYOOH-UHFFFAOYSA-N 0 0 328.368 3.247 10 5 EGBERN Cc1cc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc([N+](=O)[O-])c1 ZINC000927286267 1327956345 /nfs/dbraw/zinc/95/63/45/1327956345.db2.gz MLTUEEUTXCODIK-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927298215 1327963060 /nfs/dbraw/zinc/96/30/60/1327963060.db2.gz HUSHNOCPNMTIAI-BEFAXECRSA-N 0 0 340.354 3.077 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927301964 1327964392 /nfs/dbraw/zinc/96/43/92/1327964392.db2.gz XNYNNGCSHMBFOM-HNAYVOBHSA-N 0 0 340.354 3.077 10 5 EGBERN CCOc1cc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000927424429 1328021025 /nfs/dbraw/zinc/02/10/25/1328021025.db2.gz JGRMIKRHQUZBPK-OLZOCXBDSA-N 0 0 348.399 3.168 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000928208553 1328236406 /nfs/dbraw/zinc/23/64/06/1328236406.db2.gz FDIDESYJBZSVTA-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928242415 1328251376 /nfs/dbraw/zinc/25/13/76/1328251376.db2.gz DEAHANXLBBGRQU-ZDUSSCGKSA-N 0 0 345.399 3.496 10 5 EGBERN C[C@@H](NC(=O)C[C@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000928247576 1328254393 /nfs/dbraw/zinc/25/43/93/1328254393.db2.gz YETXIEGUBGVOTD-SJKOYZFVSA-N 0 0 326.352 3.434 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccnn1C ZINC000929118372 1328509331 /nfs/dbraw/zinc/50/93/31/1328509331.db2.gz LOPWBVXRYPLUPC-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN C[C@@H]1COCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861680584 1329435981 /nfs/dbraw/zinc/43/59/81/1329435981.db2.gz WHKQWXSUOJYCLA-OCCSQVGLSA-N 0 0 328.368 3.150 10 5 EGBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1Cl ZINC000862119161 1329459945 /nfs/dbraw/zinc/45/99/45/1329459945.db2.gz JKJLTUMDMMKTJQ-UHFFFAOYSA-N 0 0 347.758 3.480 10 5 EGBERN CN(CC1=CCCOC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862195423 1329464727 /nfs/dbraw/zinc/46/47/27/1329464727.db2.gz PULNLMRYEIZKPW-UHFFFAOYSA-N 0 0 326.352 3.167 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863000088 1329521803 /nfs/dbraw/zinc/52/18/03/1329521803.db2.gz RKKNLSCXMNYQES-ZWADGADFSA-N 0 0 347.198 3.443 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000863007625 1329522371 /nfs/dbraw/zinc/52/23/71/1329522371.db2.gz ZPNINBPJRFNRRD-GXTWGEPZSA-N 0 0 331.397 3.008 10 5 EGBERN COC(=O)[C@@](C)(NC(=O)/C=C(\C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000863300607 1329545042 /nfs/dbraw/zinc/54/50/42/1329545042.db2.gz DZYDJGIQOHQGLY-KSEUIEODSA-N 0 0 348.399 3.092 10 5 EGBERN CCCCCCC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863300086 1329545136 /nfs/dbraw/zinc/54/51/36/1329545136.db2.gz DPJMICQTEHJENG-KRWDZBQOSA-N 0 0 336.388 3.070 10 5 EGBERN O=[N+]([O-])c1cn(Cc2ccccc2OC2CC2)c(Br)n1 ZINC000863347766 1329549160 /nfs/dbraw/zinc/54/91/60/1329549160.db2.gz HQEAIERBZFTSJD-UHFFFAOYSA-N 0 0 338.161 3.143 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccns1 ZINC000863612679 1329567542 /nfs/dbraw/zinc/56/75/42/1329567542.db2.gz MUPKSIFYLPIQDM-YPMHNXCESA-N 0 0 333.413 3.497 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000863637913 1329569219 /nfs/dbraw/zinc/56/92/19/1329569219.db2.gz GMOBDQBDMGNAHI-OAHLLOKOSA-N 0 0 331.759 3.369 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000863773626 1329580187 /nfs/dbraw/zinc/58/01/87/1329580187.db2.gz DVHBJNHWEUOCFP-LBPRGKRZSA-N 0 0 333.344 3.122 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000863775970 1329580340 /nfs/dbraw/zinc/58/03/40/1329580340.db2.gz QCAUIVUCLBJZTC-LLVKDONJSA-N 0 0 335.379 3.110 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000864380873 1329611387 /nfs/dbraw/zinc/61/13/87/1329611387.db2.gz KLLIRUXBQHUFIK-UHFFFAOYSA-N 0 0 341.205 3.302 10 5 EGBERN COc1cnc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(F)c1 ZINC000864992437 1329659459 /nfs/dbraw/zinc/65/94/59/1329659459.db2.gz KMEHMQZZKBTUGI-UHFFFAOYSA-N 0 0 347.346 3.188 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CC2(CO1)CCOCC2 ZINC000865352633 1329688267 /nfs/dbraw/zinc/68/82/67/1329688267.db2.gz PYYAYARDTZQGDO-LBPRGKRZSA-N 0 0 327.764 3.213 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC1CC2(CCC2)C1 ZINC000865354212 1329688466 /nfs/dbraw/zinc/68/84/66/1329688466.db2.gz ONDUYMDHKVRMLN-UHFFFAOYSA-N 0 0 325.368 3.399 10 5 EGBERN C[C@@H](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[S@](C)=O ZINC000865620965 1329721377 /nfs/dbraw/zinc/72/13/77/1329721377.db2.gz HIILAERQZZYHEV-IIYDVTGLSA-N 0 0 325.217 3.471 10 5 EGBERN CC1(c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)OCCO1 ZINC000865670202 1329727491 /nfs/dbraw/zinc/72/74/91/1329727491.db2.gz RMJZJJHTOFCXDO-UHFFFAOYSA-N 0 0 328.368 3.104 10 5 EGBERN CCN(CC1CC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865731930 1329733648 /nfs/dbraw/zinc/73/36/48/1329733648.db2.gz IGWZLXOARYLNGW-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CC[C@@](F)(c3ccccc3)C2)cc1F ZINC000865765061 1329736444 /nfs/dbraw/zinc/73/64/44/1329736444.db2.gz SUOHASLRPVSDSP-KRWDZBQOSA-N 0 0 334.322 3.301 10 5 EGBERN COc1cc(CNCc2ccc(C(C)(C)C)o2)c([N+](=O)[O-])cc1O ZINC000865814894 1329741403 /nfs/dbraw/zinc/74/14/03/1329741403.db2.gz QFRLJQZOUNEFIL-UHFFFAOYSA-N 0 0 334.372 3.489 10 5 EGBERN O=C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CCCCCCN1 ZINC000866055898 1330060426 /nfs/dbraw/zinc/06/04/26/1330060426.db2.gz BAZDZZUCGHPVAC-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](OC4CCC4)CC3)c2c1 ZINC000866146856 1330070578 /nfs/dbraw/zinc/07/05/78/1330070578.db2.gz AJJRTOVYLOTEDY-OAHLLOKOSA-N 0 0 342.399 3.466 10 5 EGBERN CN1Cc2ccccc2[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000866195200 1330076418 /nfs/dbraw/zinc/07/64/18/1330076418.db2.gz OYVVBDKUCJIMGT-ZDUSSCGKSA-N 0 0 341.396 3.198 10 5 EGBERN COc1ccccc1[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000866234502 1330082241 /nfs/dbraw/zinc/08/22/41/1330082241.db2.gz UECYNNXLIDOLMB-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2Cc3cccnc3N3CCC[C@H]3C2)c(F)c1 ZINC000866253276 1330085627 /nfs/dbraw/zinc/08/56/27/1330085627.db2.gz IWOIDZAKAKJGBH-LBPRGKRZSA-N 0 0 346.337 3.257 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866260017 1330086825 /nfs/dbraw/zinc/08/68/25/1330086825.db2.gz RUWWUWGWUPYSLN-WMLDXEAASA-N 0 0 332.331 3.165 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)OCCC(F)(F)F ZINC000866947532 1330160310 /nfs/dbraw/zinc/16/03/10/1330160310.db2.gz CDMVGWZUGJGWOF-UHFFFAOYSA-N 0 0 326.658 3.427 10 5 EGBERN CC1=CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000866973887 1330161945 /nfs/dbraw/zinc/16/19/45/1330161945.db2.gz LLLXFLRQLVSIKI-UHFFFAOYSA-N 0 0 339.189 3.078 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccco1 ZINC000867583823 1330210604 /nfs/dbraw/zinc/21/06/04/1330210604.db2.gz SIPZSADCUAXLHB-LBPRGKRZSA-N 0 0 342.398 3.021 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000868043289 1330243551 /nfs/dbraw/zinc/24/35/51/1330243551.db2.gz DHUPADYBYUYSEM-LBPRGKRZSA-N 0 0 333.413 3.395 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)C(C)(F)F ZINC000869071281 1330408350 /nfs/dbraw/zinc/40/83/50/1330408350.db2.gz ZUADLGXAXBBXSR-UHFFFAOYSA-N 0 0 343.374 3.460 10 5 EGBERN CC(C)[C@@H]1N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC12CC=CC2 ZINC000869114749 1330416818 /nfs/dbraw/zinc/41/68/18/1330416818.db2.gz QZESQVHACWUMGH-KRWDZBQOSA-N 0 0 332.375 3.480 10 5 EGBERN C[C@@]1(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000869137844 1330423276 /nfs/dbraw/zinc/42/32/76/1330423276.db2.gz PSEDJJQCUKWNDJ-KGLIPLIRSA-N 0 0 332.734 3.097 10 5 EGBERN CC(C)c1ccc(C(=O)O[C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000869479529 1330508533 /nfs/dbraw/zinc/50/85/33/1330508533.db2.gz SNEYGKRSLZTJLY-INIZCTEOSA-N 0 0 346.383 3.028 10 5 EGBERN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000869798223 1330565673 /nfs/dbraw/zinc/56/56/73/1330565673.db2.gz YCBXKSDZYFPXFS-QWHCGFSZSA-N 0 0 339.775 3.354 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001323591589 1387397947 /nfs/dbraw/zinc/39/79/47/1387397947.db2.gz BYDDLGZURNKJMG-NSHDSACASA-N 0 0 325.777 3.283 10 5 EGBERN Cc1nc(Oc2ccc(Br)cc2F)ncc1[N+](=O)[O-] ZINC001184516373 1387481964 /nfs/dbraw/zinc/48/19/64/1387481964.db2.gz SPCICHWPMRJFTD-UHFFFAOYSA-N 0 0 328.097 3.387 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3ccccc3F)c2c1 ZINC001184572921 1387495857 /nfs/dbraw/zinc/49/58/57/1387495857.db2.gz ZZTRDBHHNPBYAL-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN Cc1cc(C)cc(-c2nnc(Sc3c([N+](=O)[O-])cnn3C)o2)c1 ZINC001184681044 1387507425 /nfs/dbraw/zinc/50/74/25/1387507425.db2.gz INHBSCLFVKATFB-UHFFFAOYSA-N 0 0 331.357 3.146 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCN1CCCc2ccccc21 ZINC001185136396 1387625247 /nfs/dbraw/zinc/62/52/47/1387625247.db2.gz CKSNXLHPNDYUOJ-UHFFFAOYSA-N 0 0 348.406 3.430 10 5 EGBERN CC1(C)CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCCO1 ZINC001185394525 1387704202 /nfs/dbraw/zinc/70/42/02/1387704202.db2.gz HYAWBOLYLBEQQW-UHFFFAOYSA-N 0 0 346.343 3.057 10 5 EGBERN CN1CCOc2ccc(Nc3c4ccccc4ncc3[N+](=O)[O-])cc21 ZINC001185638825 1387765758 /nfs/dbraw/zinc/76/57/58/1387765758.db2.gz FPSIWHIEPIZWMA-UHFFFAOYSA-N 0 0 336.351 3.137 10 5 EGBERN CC(C)(C)N1C[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1=O ZINC001185649118 1387768198 /nfs/dbraw/zinc/76/81/98/1387768198.db2.gz GNYGSXPYBHMKRA-SNVBAGLBSA-N 0 0 345.321 3.425 10 5 EGBERN CCOC(=O)c1cc(Nc2ncc([N+](=O)[O-])c3ccccc23)cn1C ZINC001185736367 1387786450 /nfs/dbraw/zinc/78/64/50/1387786450.db2.gz QKQRUSPHIYSZGZ-UHFFFAOYSA-N 0 0 340.339 3.402 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])n[nH]1 ZINC001185792817 1387801030 /nfs/dbraw/zinc/80/10/30/1387801030.db2.gz IFEBIIUWXJJVLK-SECBINFHSA-N 0 0 345.790 3.293 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCc2ccc(F)c(F)c2C1 ZINC001185792609 1387801643 /nfs/dbraw/zinc/80/16/43/1387801643.db2.gz IBSOAKCPBXUFBU-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN CCCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001185978970 1387840753 /nfs/dbraw/zinc/84/07/53/1387840753.db2.gz NFAQXSAWJBAGLQ-UHFFFAOYSA-N 0 0 338.408 3.357 10 5 EGBERN C[C@H]1Cc2cccc(F)c2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001197124106 1368748920 /nfs/dbraw/zinc/74/89/20/1368748920.db2.gz BBSSTZVOJGZURD-SJCJKPOMSA-N 0 0 330.359 3.466 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC001186687405 1387998081 /nfs/dbraw/zinc/99/80/81/1387998081.db2.gz BWCSSVAHALMFFF-VIFPVBQESA-N 0 0 346.368 3.324 10 5 EGBERN CC(C)(C)OC(=O)NCCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC001186792399 1388009653 /nfs/dbraw/zinc/00/96/53/1388009653.db2.gz QKILDWLBHXISQV-UHFFFAOYSA-N 0 0 338.408 3.487 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC001116134621 1370844051 /nfs/dbraw/zinc/84/40/51/1370844051.db2.gz DFVLZCTZKKARKM-NSHDSACASA-N 0 0 331.372 3.289 10 5 EGBERN CC(C)(C)n1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001116277116 1370875869 /nfs/dbraw/zinc/87/58/69/1370875869.db2.gz HJFIZHQJHNTFAJ-UHFFFAOYSA-N 0 0 339.355 3.347 10 5 EGBERN O=[N+]([O-])c1c(NCc2noc3ccc(F)cc23)nc2sccn21 ZINC001187371034 1388100464 /nfs/dbraw/zinc/10/04/64/1388100464.db2.gz GOQSNOKHKHNBND-UHFFFAOYSA-N 0 0 333.304 3.196 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116432540 1370910679 /nfs/dbraw/zinc/91/06/79/1370910679.db2.gz SMASYNSWKFNOLV-UHFFFAOYSA-N 0 0 331.759 3.037 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CCOCC1 ZINC001117819122 1371095588 /nfs/dbraw/zinc/09/55/88/1371095588.db2.gz OTQNVKYTEFTXGH-YPKPFQOOSA-N 0 0 332.400 3.321 10 5 EGBERN CO[C@@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCC1 ZINC001118457741 1371183880 /nfs/dbraw/zinc/18/38/80/1371183880.db2.gz UUNQXMYGHANKKI-ZDUSSCGKSA-N 0 0 345.298 3.168 10 5 EGBERN COc1cc(N2CC[C@](CO)(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001118595479 1371204642 /nfs/dbraw/zinc/20/46/42/1371204642.db2.gz WUXKLVCUQNCUMD-HNNXBMFYSA-N 0 0 328.796 3.102 10 5 EGBERN CC(C)(NC(=O)c1cccc2c1COCC2)c1ccc([N+](=O)[O-])cc1 ZINC001118723266 1371215980 /nfs/dbraw/zinc/21/59/80/1371215980.db2.gz BQKKEBNARJZQPY-UHFFFAOYSA-N 0 0 340.379 3.333 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1C=CCCC1 ZINC001118934054 1371252887 /nfs/dbraw/zinc/25/28/87/1371252887.db2.gz WOEHIFPWKXYSES-NSHDSACASA-N 0 0 339.189 3.125 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nc2cnccc2s1 ZINC001187616404 1388130808 /nfs/dbraw/zinc/13/08/08/1388130808.db2.gz ZIVGYUVYFVSTBM-UHFFFAOYSA-N 0 0 337.364 3.182 10 5 EGBERN COc1c(C(=O)N2CCc3cc(C)cc(C)c3C2)cccc1[N+](=O)[O-] ZINC001121223230 1371898124 /nfs/dbraw/zinc/89/81/24/1371898124.db2.gz QQEDLUZRYSOYQY-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN CN1C(=O)Cc2cc(CNc3c(F)cc([N+](=O)[O-])cc3F)ccc21 ZINC001187889145 1388184019 /nfs/dbraw/zinc/18/40/19/1388184019.db2.gz QZTAKGBXFOQOAL-UHFFFAOYSA-N 0 0 333.294 3.004 10 5 EGBERN Nc1cc(NCCc2c(F)cccc2Cl)cc(CO)c1[N+](=O)[O-] ZINC001326424894 1388184374 /nfs/dbraw/zinc/18/43/74/1388184374.db2.gz BNJZSJLVSGMOPM-UHFFFAOYSA-N 0 0 339.754 3.116 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCC12CCC(C)(CC1)OC2 ZINC001123256890 1372408336 /nfs/dbraw/zinc/40/83/36/1372408336.db2.gz RCBVGUQALUXOBK-UHFFFAOYSA-N 0 0 335.356 3.110 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCOC3(CCC3)C2)c1 ZINC001123377319 1372447190 /nfs/dbraw/zinc/44/71/90/1372447190.db2.gz YPAMBPSVFMSOAO-LBPRGKRZSA-N 0 0 335.356 3.110 10 5 EGBERN C[C@@H](c1nnc(N2Cc3ccccc3[C@@H]2C)n1CC1CC1)[N+](=O)[O-] ZINC001123415242 1372460275 /nfs/dbraw/zinc/46/02/75/1372460275.db2.gz OJQTWDCVZDFKPZ-RYUDHWBXSA-N 0 0 327.388 3.107 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@]2(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC001124020783 1372659181 /nfs/dbraw/zinc/65/91/81/1372659181.db2.gz ZSRQYBQSOSJDOM-LJQANCHMSA-N 0 0 340.379 3.027 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2cc(=O)[nH]cc21 ZINC001124331321 1372692838 /nfs/dbraw/zinc/69/28/38/1372692838.db2.gz CCBXFIFAEKGSQW-UHFFFAOYSA-N 0 0 327.271 3.240 10 5 EGBERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001124340439 1372693385 /nfs/dbraw/zinc/69/33/85/1372693385.db2.gz AGKPALSESWEBNC-OAHLLOKOSA-N 0 0 340.335 3.266 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1-n1cccn1 ZINC001124353146 1372694172 /nfs/dbraw/zinc/69/41/72/1372694172.db2.gz UAMYTDRSQBLUBQ-UHFFFAOYSA-N 0 0 341.298 3.277 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(C(F)F)nc2ccccn21 ZINC001124404051 1372699065 /nfs/dbraw/zinc/69/90/65/1372699065.db2.gz UTSCPZKYBFPZNJ-UHFFFAOYSA-N 0 0 332.266 3.432 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001124406483 1372699147 /nfs/dbraw/zinc/69/91/47/1372699147.db2.gz RQOISUFSSFCEGL-GJZGRUSLSA-N 0 0 327.296 3.245 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H](F)CC1CCCCC1 ZINC001124499849 1372707062 /nfs/dbraw/zinc/70/70/62/1372707062.db2.gz GUQUEZHSVVHZRC-AWEZNQCLSA-N 0 0 337.395 3.431 10 5 EGBERN O=C(c1cc(F)c2ncccc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124641889 1372718474 /nfs/dbraw/zinc/71/84/74/1372718474.db2.gz AURNWKVRUIVXLG-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN CC(C)CCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC001124797368 1372731867 /nfs/dbraw/zinc/73/18/67/1372731867.db2.gz ZUXYAVHGGORQPW-KRWDZBQOSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2OC(C)C)n1 ZINC001125338141 1372771788 /nfs/dbraw/zinc/77/17/88/1372771788.db2.gz ZCASFTONFPUBQN-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Cl)NC(=O)C2 ZINC001125407180 1372782982 /nfs/dbraw/zinc/78/29/82/1372782982.db2.gz WLIIMNLDGNYUBQ-UHFFFAOYSA-N 0 0 349.705 3.134 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc(F)cc(F)c2)c1C ZINC001125757602 1372849939 /nfs/dbraw/zinc/84/99/39/1372849939.db2.gz NJYYIFNKXGTDJM-UHFFFAOYSA-N 0 0 334.322 3.462 10 5 EGBERN Cc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)sc1C ZINC001125849395 1372872152 /nfs/dbraw/zinc/87/21/52/1372872152.db2.gz LDTTZDMWLKTBGY-UHFFFAOYSA-N 0 0 349.368 3.082 10 5 EGBERN CC(C)(C)c1csc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001125876623 1372879233 /nfs/dbraw/zinc/87/92/33/1372879233.db2.gz OVNPHKNIJBBRJE-UHFFFAOYSA-N 0 0 349.412 3.158 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001125876973 1372879399 /nfs/dbraw/zinc/87/93/99/1372879399.db2.gz ZKGZZSIPXKGUSX-SJORKVTESA-N 0 0 332.400 3.306 10 5 EGBERN CC(=O)NCc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001126087450 1372930509 /nfs/dbraw/zinc/93/05/09/1372930509.db2.gz UUPMMQMCOSFFFR-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN COCc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC001126429875 1372965292 /nfs/dbraw/zinc/96/52/92/1372965292.db2.gz CWCFLUPJZDWEMS-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001126521274 1372971597 /nfs/dbraw/zinc/97/15/97/1372971597.db2.gz DNCOFPLGBJARBK-GFCCVEGCSA-N 0 0 346.358 3.494 10 5 EGBERN O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC001126648041 1372990145 /nfs/dbraw/zinc/99/01/45/1372990145.db2.gz OSGMQBYTMBZQKZ-HNNXBMFYSA-N 0 0 333.294 3.149 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001127183812 1373101365 /nfs/dbraw/zinc/10/13/65/1373101365.db2.gz JZCJYSOAWKDVEE-UHFFFAOYSA-N 0 0 346.364 3.322 10 5 EGBERN O=C(NCCc1cc2ccccc2[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001127274607 1373110924 /nfs/dbraw/zinc/11/09/24/1373110924.db2.gz JCRKIRGFWYLYSE-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1C ZINC001127680532 1373159229 /nfs/dbraw/zinc/15/92/29/1373159229.db2.gz NFSNQOIAQPKZJI-UHIISALHSA-N 0 0 335.356 3.348 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccc1 ZINC001127729841 1373169208 /nfs/dbraw/zinc/16/92/08/1373169208.db2.gz QEQCHKYFIRFZDQ-UHFFFAOYSA-N 0 0 335.363 3.358 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cnn(CC2CC2)c1 ZINC001127864105 1373191673 /nfs/dbraw/zinc/19/16/73/1373191673.db2.gz JWMQARAAGQVJFR-UHFFFAOYSA-N 0 0 337.339 3.002 10 5 EGBERN CC(=O)c1ncc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)s1 ZINC001127864913 1373192302 /nfs/dbraw/zinc/19/23/02/1373192302.db2.gz XQNYDCHMPMRFBF-UHFFFAOYSA-N 0 0 342.336 3.054 10 5 EGBERN O=C(C[C@@H]1CSCCS1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864909 1373192605 /nfs/dbraw/zinc/19/26/05/1373192605.db2.gz XPWQZCWLXZOOSV-SNVBAGLBSA-N 0 0 349.437 3.320 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CCc1ccc(F)c2ccccc12 ZINC001128217163 1373236071 /nfs/dbraw/zinc/23/60/71/1373236071.db2.gz SAYDFQFNJWMHDU-UHFFFAOYSA-N 0 0 342.330 3.192 10 5 EGBERN Cc1cc(OCC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001128468258 1373273644 /nfs/dbraw/zinc/27/36/44/1373273644.db2.gz DFHYDQJDVDDQMP-QEJZJMRPSA-N 0 0 334.416 3.471 10 5 EGBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC001128655648 1373301358 /nfs/dbraw/zinc/30/13/58/1373301358.db2.gz MUWKFXBEQCEXJT-UHFFFAOYSA-N 0 0 344.245 3.145 10 5 EGBERN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CCC(C)(C)C1 ZINC001128694053 1373303671 /nfs/dbraw/zinc/30/36/71/1373303671.db2.gz WIJOPABHIJAUKZ-LRDDRELGSA-N 0 0 345.399 3.125 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(OC)s1 ZINC001128945751 1373327333 /nfs/dbraw/zinc/32/73/33/1373327333.db2.gz MLMXZYZEBJPUJP-UHFFFAOYSA-N 0 0 339.398 3.424 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC001128971258 1373329554 /nfs/dbraw/zinc/32/95/54/1373329554.db2.gz QSAOWYBFRMJYQB-QGZVFWFLSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C(F)(F)F)n2)c1 ZINC001129010108 1373335069 /nfs/dbraw/zinc/33/50/69/1373335069.db2.gz DXQUAQUOFTYIPF-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN O=C(NCc1ccnc(C(F)(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001129027768 1373338303 /nfs/dbraw/zinc/33/83/03/1373338303.db2.gz RQRJIOFHPXJZLR-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC001129091203 1373344746 /nfs/dbraw/zinc/34/47/46/1373344746.db2.gz FRTNKKCGGAUZOX-VHSXEESVSA-N 0 0 331.294 3.101 10 5 EGBERN CC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc1C ZINC001129102712 1373346333 /nfs/dbraw/zinc/34/63/33/1373346333.db2.gz NAQRHPLDVPSCSN-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001129145388 1373352487 /nfs/dbraw/zinc/35/24/87/1373352487.db2.gz PZHCPBUBAVQXBE-UHFFFAOYSA-N 0 0 342.666 3.019 10 5 EGBERN O=C(Nc1ccccc1OCCF)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001129152168 1373353952 /nfs/dbraw/zinc/35/39/52/1373353952.db2.gz ATZLDCPEDTWOFE-UHFFFAOYSA-N 0 0 340.257 3.474 10 5 EGBERN O=C(c1ccnc2ccccc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129214629 1373362213 /nfs/dbraw/zinc/36/22/13/1373362213.db2.gz NXGQNYPFIXGHDJ-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)nc2c1 ZINC001129383977 1373378339 /nfs/dbraw/zinc/37/83/39/1373378339.db2.gz AQPPSCDHQUKINB-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN COC1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCCC1 ZINC001129453275 1373385375 /nfs/dbraw/zinc/38/53/75/1373385375.db2.gz KOFQWTMLDHSDPD-UHFFFAOYSA-N 0 0 343.383 3.019 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2ccccn2)nc1 ZINC001129601560 1373401568 /nfs/dbraw/zinc/40/15/68/1373401568.db2.gz VVHJQZROMVGXFP-UHFFFAOYSA-N 0 0 349.350 3.262 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(Cl)c(F)c1F ZINC001129838541 1373427964 /nfs/dbraw/zinc/42/79/64/1373427964.db2.gz XGYYKQBLBSNIMY-UHFFFAOYSA-N 0 0 345.689 3.027 10 5 EGBERN Cc1nn(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC001130201937 1373473960 /nfs/dbraw/zinc/47/39/60/1373473960.db2.gz AXWNXUHYTGEMJQ-UHFFFAOYSA-N 0 0 343.170 3.125 10 5 EGBERN Cc1cnnn1-c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001130332565 1373495841 /nfs/dbraw/zinc/49/58/41/1373495841.db2.gz KYRAXVMGACKUES-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nsc2ccccc21 ZINC001130562852 1373560168 /nfs/dbraw/zinc/56/01/68/1373560168.db2.gz BERVGNSHAQWOPT-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c([nH]c1=O)CCCC2 ZINC001130598723 1373567902 /nfs/dbraw/zinc/56/79/02/1373567902.db2.gz PTZFAUIIVXJGSP-JXMROGBWSA-N 0 0 339.351 3.226 10 5 EGBERN Cc1noc(C)c1CCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758988 1373588644 /nfs/dbraw/zinc/58/86/44/1373588644.db2.gz WDGUWWVJJUGGRU-UHFFFAOYSA-N 0 0 340.339 3.319 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001130943194 1373612628 /nfs/dbraw/zinc/61/26/28/1373612628.db2.gz SPMXLZQCYCYMHU-ITGUQSILSA-N 0 0 338.379 3.301 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccnc(Cl)c1 ZINC001130956567 1373615891 /nfs/dbraw/zinc/61/58/91/1373615891.db2.gz CFXVJYNKTZBVBK-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c2nccn2c1 ZINC001131462423 1373703130 /nfs/dbraw/zinc/70/31/30/1373703130.db2.gz KIYHADKRRQWYPP-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC001131492641 1373710857 /nfs/dbraw/zinc/71/08/57/1373710857.db2.gz VOHGOQWRBLVFRR-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(NCc1cccc2c1CCOC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001131846629 1373833860 /nfs/dbraw/zinc/83/38/60/1373833860.db2.gz OVZNCFZEVAKERC-UHFFFAOYSA-N 0 0 346.770 3.251 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(SC(F)(F)F)c1 ZINC001132081045 1375136054 /nfs/dbraw/zinc/13/60/54/1375136054.db2.gz MZUJRCLDZXOGDG-UHFFFAOYSA-N 0 0 346.290 3.042 10 5 EGBERN Cc1ccc(CNC(=O)c2coc(Br)c2)cc1[N+](=O)[O-] ZINC001132418166 1375367304 /nfs/dbraw/zinc/36/73/04/1375367304.db2.gz CAVLRMYXNQJIFI-UHFFFAOYSA-N 0 0 339.145 3.189 10 5 EGBERN COc1c(C(=O)N[C@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001132555826 1375463577 /nfs/dbraw/zinc/46/35/77/1375463577.db2.gz SEPLATZKQTYUEW-CYBMUJFWSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)c(F)c1F ZINC001132715923 1375527038 /nfs/dbraw/zinc/52/70/38/1375527038.db2.gz GEKWSTRZTXHCSP-UHFFFAOYSA-N 0 0 329.209 3.107 10 5 EGBERN O=C(Nc1ccn(CCF)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001132737895 1375538249 /nfs/dbraw/zinc/53/82/49/1375538249.db2.gz VRUNZQXNZDAZEV-UHFFFAOYSA-N 0 0 346.240 3.032 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc2[nH]ccc21 ZINC001132926391 1375648407 /nfs/dbraw/zinc/64/84/07/1375648407.db2.gz XPWYIWAWCWCORY-UHFFFAOYSA-N 0 0 338.367 3.195 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2nccc(C)c2c1 ZINC001132962864 1375676774 /nfs/dbraw/zinc/67/67/74/1375676774.db2.gz KFMWDBRKMXKHJA-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001132991006 1375697550 /nfs/dbraw/zinc/69/75/50/1375697550.db2.gz FTDGMARVJWDFDU-ZDUSSCGKSA-N 0 0 330.388 3.337 10 5 EGBERN Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnc1C ZINC001133113715 1375784171 /nfs/dbraw/zinc/78/41/71/1375784171.db2.gz QMAMZKRLJMPTDY-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001230505750 1376043725 /nfs/dbraw/zinc/04/37/25/1376043725.db2.gz IYPHQIIGQZZJLK-DUVNUKRYSA-N 0 0 337.420 3.142 10 5 EGBERN O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001133522276 1376057276 /nfs/dbraw/zinc/05/72/76/1376057276.db2.gz JQYOJMJHTRIYFJ-DOMZBBRYSA-N 0 0 325.368 3.309 10 5 EGBERN COc1ccc(F)cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001133743332 1376186727 /nfs/dbraw/zinc/18/67/27/1376186727.db2.gz AGCQJVWFONENPH-UHFFFAOYSA-N 0 0 332.331 3.023 10 5 EGBERN CCNc1ccc(C(=O)N=[S@](C)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC001133783643 1376206032 /nfs/dbraw/zinc/20/60/32/1376206032.db2.gz KCSWVAREKFETEP-JOCHJYFZSA-N 0 0 327.406 3.063 10 5 EGBERN C[S@@](=O)(=NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001133793507 1376207689 /nfs/dbraw/zinc/20/76/89/1376207689.db2.gz HVEXHFSDMGBJJJ-NRFANRHFSA-N 0 0 328.346 3.093 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Oc2ccc3cc(C)ccc3c2)n1 ZINC001133821921 1376218448 /nfs/dbraw/zinc/21/84/48/1376218448.db2.gz MYYXWXJMHPCVEX-UHFFFAOYSA-N 0 0 325.324 3.492 10 5 EGBERN COCC1(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC001134501875 1376571091 /nfs/dbraw/zinc/57/10/91/1376571091.db2.gz QLENRVOMAZQSQO-AWEZNQCLSA-N 0 0 334.416 3.411 10 5 EGBERN COc1ccc(C(=O)NCC2(OC)CCCCCC2)cc1[N+](=O)[O-] ZINC001134872779 1376761538 /nfs/dbraw/zinc/76/15/38/1376761538.db2.gz WCAJQWXKFFJEGB-UHFFFAOYSA-N 0 0 336.388 3.073 10 5 EGBERN O=C(Nc1ccnc(-n2cccn2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001134890906 1376770195 /nfs/dbraw/zinc/77/01/95/1376770195.db2.gz HUOIAQQKWRQBAG-UHFFFAOYSA-N 0 0 349.306 3.174 10 5 EGBERN COc1ccc(CC(=O)NC[C@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC001134954298 1376809022 /nfs/dbraw/zinc/80/90/22/1376809022.db2.gz WYLRFKHOIJKDKF-AWEZNQCLSA-N 0 0 332.400 3.399 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001135311941 1377032396 /nfs/dbraw/zinc/03/23/96/1377032396.db2.gz AVFCSULNZDUATG-ZANVPECISA-N 0 0 328.372 3.239 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001135311938 1377032713 /nfs/dbraw/zinc/03/27/13/1377032713.db2.gz AVFCSULNZDUATG-NOZJJQNGSA-N 0 0 328.372 3.239 10 5 EGBERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001136487972 1377398866 /nfs/dbraw/zinc/39/88/66/1377398866.db2.gz BCZXVKZIOUBXPM-JHJVBQTASA-N 0 0 334.420 3.010 10 5 EGBERN O=C(Nc1scnc1-c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001136620336 1377409923 /nfs/dbraw/zinc/40/99/23/1377409923.db2.gz INJIZZVYEFIRQX-UHFFFAOYSA-N 0 0 342.336 3.071 10 5 EGBERN Cc1cc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[nH]n1 ZINC001136768349 1377421510 /nfs/dbraw/zinc/42/15/10/1377421510.db2.gz YYNOKIAWKPUFHI-UHFFFAOYSA-N 0 0 347.133 3.002 10 5 EGBERN CC(=O)OCC(C)(C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001137704174 1377598875 /nfs/dbraw/zinc/59/88/75/1377598875.db2.gz WDHNDYKAJCHIAF-UHFFFAOYSA-N 0 0 348.399 3.065 10 5 EGBERN Cc1ccccc1[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001137766670 1377613876 /nfs/dbraw/zinc/61/38/76/1377613876.db2.gz RADFHMVATSZHTK-CYBMUJFWSA-N 0 0 334.759 3.020 10 5 EGBERN Cc1cccc(O)c1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001137775972 1377615588 /nfs/dbraw/zinc/61/55/88/1377615588.db2.gz DBAREDWXKYDDAL-UHFFFAOYSA-N 0 0 339.710 3.236 10 5 EGBERN CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC001138091851 1377675390 /nfs/dbraw/zinc/67/53/90/1377675390.db2.gz QYXUKKJFNVVQAX-CYBMUJFWSA-N 0 0 347.440 3.412 10 5 EGBERN CCNc1cc(C)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001138191116 1377689184 /nfs/dbraw/zinc/68/91/84/1377689184.db2.gz VLLWRSWJBWRVGX-INIZCTEOSA-N 0 0 329.356 3.007 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001139892903 1377973372 /nfs/dbraw/zinc/97/33/72/1377973372.db2.gz WTCPFKUXFGBNLN-HIFRSBDPSA-N 0 0 332.306 3.088 10 5 EGBERN O=C(Nc1cccc2c(=O)[nH]ccc12)c1c(F)cccc1[N+](=O)[O-] ZINC001140708850 1378120060 /nfs/dbraw/zinc/12/00/60/1378120060.db2.gz LYZOZCJKGDOTGQ-UHFFFAOYSA-N 0 0 327.271 3.240 10 5 EGBERN Cc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001280359471 1378343233 /nfs/dbraw/zinc/34/32/33/1378343233.db2.gz HPKMMPFFZVUFOK-UHFFFAOYSA-N 0 0 343.339 3.358 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH]cnc2c1F ZINC001141707971 1378364569 /nfs/dbraw/zinc/36/45/69/1378364569.db2.gz PZZNJWDDKZARJL-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN C[C@](Cc1ccccc1)(NC(=O)c1ccc([N+](=O)[O-])cc1N)C1CC1 ZINC001142357974 1378435589 /nfs/dbraw/zinc/43/55/89/1378435589.db2.gz ANDZBFUHXZISTF-LJQANCHMSA-N 0 0 339.395 3.318 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)cc(=O)[nH]1 ZINC001142815584 1378490759 /nfs/dbraw/zinc/49/07/59/1378490759.db2.gz YLWHAXHBYVEJRZ-ZDUSSCGKSA-N 0 0 329.356 3.211 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)n1 ZINC001143055450 1378532925 /nfs/dbraw/zinc/53/29/25/1378532925.db2.gz HIIUIURVYPVOGF-UHFFFAOYSA-N 0 0 343.358 3.289 10 5 EGBERN Cc1cccc(C2(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CCCC2)c1 ZINC001143614840 1378625468 /nfs/dbraw/zinc/62/54/68/1378625468.db2.gz CFZRZIGASQOYQT-UHFFFAOYSA-N 0 0 348.790 3.479 10 5 EGBERN CC[C@@](C)(O)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001146335846 1378819948 /nfs/dbraw/zinc/81/99/48/1378819948.db2.gz MIZIRLKBSFWUMD-QGZVFWFLSA-N 0 0 330.340 3.487 10 5 EGBERN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146543206 1378863238 /nfs/dbraw/zinc/86/32/38/1378863238.db2.gz AKWVCPAZQACBID-JSGCOSHPSA-N 0 0 325.368 3.195 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOc2cc(F)ccc21 ZINC001146698749 1378899903 /nfs/dbraw/zinc/89/99/03/1378899903.db2.gz CEEJZWXNXUSOAG-UHFFFAOYSA-N 0 0 336.706 3.427 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC001146956095 1378947170 /nfs/dbraw/zinc/94/71/70/1378947170.db2.gz ACDMRCHFNNGUHD-GFCCVEGCSA-N 0 0 348.786 3.374 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327694052 1388584208 /nfs/dbraw/zinc/58/42/08/1388584208.db2.gz ZSDILYXLWRGHRZ-FKTZTGRPSA-N 0 0 329.278 3.289 10 5 EGBERN Nc1c(F)cc(Cl)cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148566561 1379212909 /nfs/dbraw/zinc/21/29/09/1379212909.db2.gz JJAZKOOSWDRUGB-UHFFFAOYSA-N 0 0 335.722 3.126 10 5 EGBERN C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001148719296 1379251674 /nfs/dbraw/zinc/25/16/74/1379251674.db2.gz FERGLUJSOYZDOH-BZNIZROVSA-N 0 0 348.786 3.143 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327815126 1388599521 /nfs/dbraw/zinc/59/95/21/1388599521.db2.gz UZKLRASFYQMPMV-YHPBZONMSA-N 0 0 325.315 3.322 10 5 EGBERN O=C(c1ccc(-c2c[nH]cn2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001149519554 1379396445 /nfs/dbraw/zinc/39/64/45/1379396445.db2.gz UCHOAMAGKODIFQ-UHFFFAOYSA-N 0 0 348.362 3.183 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001152225995 1379889829 /nfs/dbraw/zinc/88/98/29/1379889829.db2.gz GRHMTOISINPWPC-UHFFFAOYSA-N 0 0 340.379 3.387 10 5 EGBERN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001152417981 1379930321 /nfs/dbraw/zinc/93/03/21/1379930321.db2.gz FGQLHSABGHLYOZ-SNVBAGLBSA-N 0 0 330.344 3.002 10 5 EGBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001284530058 1379934996 /nfs/dbraw/zinc/93/49/96/1379934996.db2.gz PNAJLPWUDPSDJF-UHFFFAOYSA-N 0 0 345.443 3.230 10 5 EGBERN C[C@@H](C(=O)N[C@H]1CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001152690156 1379971434 /nfs/dbraw/zinc/97/14/34/1379971434.db2.gz VGMYRAGRSGOBCF-HWPZZCPQSA-N 0 0 342.326 3.281 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1OCCCCCO ZINC001152788744 1379981328 /nfs/dbraw/zinc/98/13/28/1379981328.db2.gz QVANLLJKUJOXIL-UHFFFAOYSA-N 0 0 347.371 3.025 10 5 EGBERN O=C(NCc1nc2c(cccc2F)[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001153149746 1380027711 /nfs/dbraw/zinc/02/77/11/1380027711.db2.gz NIEILSCLMDNGLN-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN CCC[C@@H](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001153630592 1380107362 /nfs/dbraw/zinc/10/73/62/1380107362.db2.gz GZAIVNPQGJUREX-CYBMUJFWSA-N 0 0 345.399 3.464 10 5 EGBERN CCCCCC[C@H](C)NC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC001328046173 1388652590 /nfs/dbraw/zinc/65/25/90/1388652590.db2.gz QBXDWTOJOIZBKM-LBPRGKRZSA-N 0 0 337.420 3.461 10 5 EGBERN CC1=C(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC001154844857 1380363805 /nfs/dbraw/zinc/36/38/05/1380363805.db2.gz CBCZZSJIEWLOEM-UHFFFAOYSA-N 0 0 328.372 3.020 10 5 EGBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001157515743 1380953699 /nfs/dbraw/zinc/95/36/99/1380953699.db2.gz ORPFYRUYMRQCCU-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN COc1c(C(=O)Nc2cccc3c(=O)[nH]ccc23)cccc1[N+](=O)[O-] ZINC001157889198 1381060922 /nfs/dbraw/zinc/06/09/22/1381060922.db2.gz LTGDZBXICPDJFM-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN O=C(N[C@@H]1CCCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC001157946993 1381078343 /nfs/dbraw/zinc/07/83/43/1381078343.db2.gz LUSUPWYFGYJHOI-CQSZACIVSA-N 0 0 328.343 3.411 10 5 EGBERN Cc1cccc(CO[C@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158231533 1381168187 /nfs/dbraw/zinc/16/81/87/1381168187.db2.gz ILXHABMSMWGGQE-CYBMUJFWSA-N 0 0 343.383 3.338 10 5 EGBERN CC(C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCC1 ZINC001158295204 1381188447 /nfs/dbraw/zinc/18/84/47/1381188447.db2.gz KHTICCHOBINYNQ-UHFFFAOYSA-N 0 0 334.401 3.156 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001288079915 1381562457 /nfs/dbraw/zinc/56/24/57/1381562457.db2.gz FNUMTCXISVUCQF-AWEZNQCLSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1cccc(C(=O)N2CCc3cc(F)c(F)cc3C2)c1[N+](=O)[O-] ZINC001288314684 1381774417 /nfs/dbraw/zinc/77/44/17/1381774417.db2.gz ITFVAAGYNULYQF-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)cc([N+](=O)[O-])c1 ZINC001159512815 1381814220 /nfs/dbraw/zinc/81/42/20/1381814220.db2.gz NSWJGVGYFBCXBJ-JKSUJKDBSA-N 0 0 340.335 3.146 10 5 EGBERN CSc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC001328457808 1388750136 /nfs/dbraw/zinc/75/01/36/1388750136.db2.gz WOISWAXFWHTLFV-UHFFFAOYSA-N 0 0 344.396 3.302 10 5 EGBERN Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288791970 1381940290 /nfs/dbraw/zinc/94/02/90/1381940290.db2.gz JRCJMBAKJOMJSJ-NSHDSACASA-N 0 0 330.315 3.102 10 5 EGBERN Cn1cnc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC001288888754 1381960044 /nfs/dbraw/zinc/96/00/44/1381960044.db2.gz JCDLTJBUQBVRON-UHFFFAOYSA-N 0 0 344.758 3.065 10 5 EGBERN Cc1cc(F)cc(C(=O)NCc2nc3ccccc3o2)c1[N+](=O)[O-] ZINC001160140102 1382012791 /nfs/dbraw/zinc/01/27/91/1382012791.db2.gz UGSMNQPQGUHKSK-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001290330048 1382081602 /nfs/dbraw/zinc/08/16/02/1382081602.db2.gz GMDVIKONWYAHRT-UHFFFAOYSA-N 0 0 332.287 3.220 10 5 EGBERN COC(=O)Nc1ccc(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001291664039 1382146841 /nfs/dbraw/zinc/14/68/41/1382146841.db2.gz UAVFCTPPXBYKQG-UHFFFAOYSA-N 0 0 348.286 3.060 10 5 EGBERN Cc1ccc(OCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001292441869 1382197557 /nfs/dbraw/zinc/19/75/57/1382197557.db2.gz JACQMPOPTGMQLW-UHFFFAOYSA-N 0 0 332.331 3.241 10 5 EGBERN CNc1ccc(Cl)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001293831028 1382371859 /nfs/dbraw/zinc/37/18/59/1382371859.db2.gz LPNPCTFPGSLHMN-UHFFFAOYSA-N 0 0 331.759 3.493 10 5 EGBERN CSc1cccc(C(=O)NC2CC3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC001328584114 1388781471 /nfs/dbraw/zinc/78/14/71/1388781471.db2.gz ZRQYWQBJGWQAQQ-UHFFFAOYSA-N 0 0 328.340 3.234 10 5 EGBERN Cc1nc[nH]c1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001294283201 1382435569 /nfs/dbraw/zinc/43/55/69/1382435569.db2.gz DCBOBNCGJPETLL-UHFFFAOYSA-N 0 0 347.133 3.002 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC001294542704 1382469266 /nfs/dbraw/zinc/46/92/66/1382469266.db2.gz OTDWDIFGFSCIDG-RISCZKNCSA-N 0 0 332.356 3.047 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001294581918 1382473459 /nfs/dbraw/zinc/47/34/59/1382473459.db2.gz GUJHUVBSXHOMSZ-ZDUSSCGKSA-N 0 0 343.383 3.026 10 5 EGBERN CSc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001161864364 1382535287 /nfs/dbraw/zinc/53/52/87/1382535287.db2.gz KHTPGDXBZOYHAZ-UHFFFAOYSA-N 0 0 339.760 3.323 10 5 EGBERN CC(C)Oc1nc(N2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001162652732 1382821554 /nfs/dbraw/zinc/82/15/54/1382821554.db2.gz UCSCZMWBVXYJHY-CYBMUJFWSA-N 0 0 325.434 3.355 10 5 EGBERN CCc1nn(C)cc1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001162954557 1382926498 /nfs/dbraw/zinc/92/64/98/1382926498.db2.gz VLDAAFREKLFNEP-UHFFFAOYSA-N 0 0 332.751 3.231 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC001163001112 1382943491 /nfs/dbraw/zinc/94/34/91/1382943491.db2.gz USMPUOYTQKTWBG-HUUCEWRRSA-N 0 0 336.388 3.385 10 5 EGBERN O=c1[nH]ccc(NC[C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001163100024 1382964778 /nfs/dbraw/zinc/96/47/78/1382964778.db2.gz SULSQFNOQVZRJL-JTQLQIEISA-N 0 0 327.262 3.453 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1ccnc(-c2nccs2)n1 ZINC001163134061 1382973550 /nfs/dbraw/zinc/97/35/50/1382973550.db2.gz YGAVZBCSZBRQGX-UHFFFAOYSA-N 0 0 341.396 3.187 10 5 EGBERN CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2O1 ZINC001296509514 1383004029 /nfs/dbraw/zinc/00/40/29/1383004029.db2.gz JTHMFDHQTWPRIY-QGZVFWFLSA-N 0 0 343.339 3.327 10 5 EGBERN COc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC001163306232 1383016878 /nfs/dbraw/zinc/01/68/78/1383016878.db2.gz RXEYDHQIEXPUNL-UHFFFAOYSA-N 0 0 328.250 3.024 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCCSC3)c2c1 ZINC001163419112 1383048233 /nfs/dbraw/zinc/04/82/33/1383048233.db2.gz GNEAYJBUNOGPJR-NSHDSACASA-N 0 0 333.413 3.129 10 5 EGBERN CC[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001296817429 1383066081 /nfs/dbraw/zinc/06/60/81/1383066081.db2.gz OROPDIXKCKNPQG-LBPRGKRZSA-N 0 0 336.779 3.171 10 5 EGBERN Cc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)sc1C=O ZINC001296875757 1383078652 /nfs/dbraw/zinc/07/86/52/1383078652.db2.gz JQMFGMODWSTUNA-UHFFFAOYSA-N 0 0 332.381 3.092 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC001164383922 1383183524 /nfs/dbraw/zinc/18/35/24/1383183524.db2.gz QFWVQUPTFWDWMX-VIFPVBQESA-N 0 0 342.421 3.251 10 5 EGBERN Cc1cc(NCCn2cc(-c3ccccc3)nn2)c(F)cc1[N+](=O)[O-] ZINC001164384352 1383183571 /nfs/dbraw/zinc/18/35/71/1383183571.db2.gz WJGHBPIVJFNPOQ-UHFFFAOYSA-N 0 0 341.346 3.413 10 5 EGBERN COc1ccc(OCc2csc(-c3ccn(C)n3)n2)c([N+](=O)[O-])c1 ZINC001164556832 1383198860 /nfs/dbraw/zinc/19/88/60/1383198860.db2.gz IRTPYVQXSNYIEV-UHFFFAOYSA-N 0 0 346.368 3.039 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001165868810 1383353344 /nfs/dbraw/zinc/35/33/44/1383353344.db2.gz FQFXBGLPLHTGKX-UHFFFAOYSA-N 0 0 346.295 3.177 10 5 EGBERN Nc1nc(Br)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC001165889645 1383358361 /nfs/dbraw/zinc/35/83/61/1383358361.db2.gz OWULKKNGWPHMFO-UHFFFAOYSA-N 0 0 341.190 3.022 10 5 EGBERN Cc1cc2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2[nH]c1=O ZINC001298352266 1383395710 /nfs/dbraw/zinc/39/57/10/1383395710.db2.gz NBVAUQBGQWAPRY-WTKPLQERSA-N 0 0 349.346 3.397 10 5 EGBERN COCc1nc(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cs1 ZINC001166428926 1383421635 /nfs/dbraw/zinc/42/16/35/1383421635.db2.gz QBFQDCMXICQMJY-UHFFFAOYSA-N 0 0 330.369 3.110 10 5 EGBERN CSc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC001166464486 1383424478 /nfs/dbraw/zinc/42/44/78/1383424478.db2.gz RUECUZLIZNJRKU-UHFFFAOYSA-N 0 0 338.776 3.200 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OCn2cc(Cl)cn2)c(F)c1F ZINC001166459782 1383424623 /nfs/dbraw/zinc/42/46/23/1383424623.db2.gz LWIDISYRYJRCEB-UHFFFAOYSA-N 0 0 325.605 3.038 10 5 EGBERN CCOCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001167039326 1383525985 /nfs/dbraw/zinc/52/59/85/1383525985.db2.gz YIUXTVWOCHGERY-UHFFFAOYSA-N 0 0 342.823 3.266 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 ZINC001167420646 1383629115 /nfs/dbraw/zinc/62/91/15/1383629115.db2.gz HTCFKEUAPRHMGF-ZWNOBZJWSA-N 0 0 343.221 3.357 10 5 EGBERN CCc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC001299932393 1383635446 /nfs/dbraw/zinc/63/54/46/1383635446.db2.gz SUQRZZBZOLOUMA-UHFFFAOYSA-N 0 0 326.324 3.427 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1cc([N+](=O)[O-])ccc1Cl ZINC001301243608 1383703259 /nfs/dbraw/zinc/70/32/59/1383703259.db2.gz TZVBGACUAGFWFB-VNQPRFMTSA-N 0 0 346.745 3.455 10 5 EGBERN O=C(CCc1ccncc1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001301917572 1383735634 /nfs/dbraw/zinc/73/56/34/1383735634.db2.gz GNQFOOQFHRRHJY-UHFFFAOYSA-N 0 0 337.738 3.031 10 5 EGBERN CCCC[C@H](O)CCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001301923762 1383736315 /nfs/dbraw/zinc/73/63/15/1383736315.db2.gz YRUSRUYEAWBKGG-NSHDSACASA-N 0 0 346.786 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2nc[nH]c(=O)c21 ZINC001303462247 1383799928 /nfs/dbraw/zinc/79/99/28/1383799928.db2.gz DHLDEDOPHGWTSE-UHFFFAOYSA-N 0 0 338.323 3.113 10 5 EGBERN C[C@@H](CNC(=O)c1cc(F)cc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC001304193448 1383839038 /nfs/dbraw/zinc/83/90/38/1383839038.db2.gz SOQGIFZNKIJQBE-JTQLQIEISA-N 0 0 342.330 3.144 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC001306858359 1383911054 /nfs/dbraw/zinc/91/10/54/1383911054.db2.gz DMPRSOXDALIVJL-HIFRSBDPSA-N 0 0 346.770 3.196 10 5 EGBERN COCCOCc1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001306935754 1383923180 /nfs/dbraw/zinc/92/31/80/1383923180.db2.gz SYGXWNFCYDCMJA-UHFFFAOYSA-N 0 0 342.355 3.378 10 5 EGBERN C[C@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC001306999955 1383931441 /nfs/dbraw/zinc/93/14/41/1383931441.db2.gz RTOGZEKBYOXFSI-UWVGGRQHSA-N 0 0 340.221 3.394 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCCc1csc(-c2ccccc2)n1 ZINC001306998505 1383931739 /nfs/dbraw/zinc/93/17/39/1383931739.db2.gz AJNFIYRAFWBASO-UHFFFAOYSA-N 0 0 329.385 3.106 10 5 EGBERN Cc1cc(C)n(-c2ccccc2CNc2cc[nH]c(=O)c2[N+](=O)[O-])n1 ZINC001307000593 1383932580 /nfs/dbraw/zinc/93/25/80/1383932580.db2.gz GTNFRKYYUBTHKS-UHFFFAOYSA-N 0 0 339.355 3.110 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2nc3ccccc3n3cncc23)cc1CO ZINC001307096961 1383939718 /nfs/dbraw/zinc/93/97/18/1383939718.db2.gz ZZFVLNKTVLFQDM-UHFFFAOYSA-N 0 0 336.307 3.075 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC001307113708 1383942214 /nfs/dbraw/zinc/94/22/14/1383942214.db2.gz PGOZGANMLUBEKN-LBPRGKRZSA-N 0 0 329.690 3.067 10 5 EGBERN C[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1cncc(F)c1 ZINC001307136739 1383943686 /nfs/dbraw/zinc/94/36/86/1383943686.db2.gz HGMGGXHRLSUQMZ-SNVBAGLBSA-N 0 0 342.330 3.154 10 5 EGBERN CCOC(=O)c1ccnc(N2CC[C@@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001307143800 1383944911 /nfs/dbraw/zinc/94/49/11/1383944911.db2.gz INDGPUHBTMEJJZ-LBPRGKRZSA-N 0 0 335.404 3.429 10 5 EGBERN CC(C)OC(=O)C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC001307153948 1383946882 /nfs/dbraw/zinc/94/68/82/1383946882.db2.gz PNOQEEAYFGCCBG-JTQLQIEISA-N 0 0 340.405 3.082 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCC3(CC3)CC2)s1 ZINC001307177321 1383951235 /nfs/dbraw/zinc/95/12/35/1383951235.db2.gz QOBFUGMZPJATNH-UHFFFAOYSA-N 0 0 344.458 3.442 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2cccnc2)C1 ZINC001307182347 1383951603 /nfs/dbraw/zinc/95/16/03/1383951603.db2.gz LWCSTXUWAIWXTE-CYBMUJFWSA-N 0 0 328.328 3.282 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(c2ccccc2)C1 ZINC001307184134 1383952561 /nfs/dbraw/zinc/95/25/61/1383952561.db2.gz DJRLEFQLBUDMNI-UHFFFAOYSA-N 0 0 326.352 3.294 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cnn(CC2CCC2)c1 ZINC001307220520 1383959308 /nfs/dbraw/zinc/95/93/08/1383959308.db2.gz WHXGDSWBFQWSJO-UHFFFAOYSA-N 0 0 337.383 3.174 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc2ncccc2c1 ZINC001307265243 1383965006 /nfs/dbraw/zinc/96/50/06/1383965006.db2.gz QOYXQSPRHDZXPX-UHFFFAOYSA-N 0 0 342.376 3.425 10 5 EGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nncs1 ZINC001307307996 1383969099 /nfs/dbraw/zinc/96/90/99/1383969099.db2.gz FPDVFGQXKBKBMI-UHFFFAOYSA-N 0 0 330.163 3.096 10 5 EGBERN O=C(COc1cc([N+](=O)[O-])c(F)cc1F)Nc1cc(F)ccc1F ZINC001307354139 1383976225 /nfs/dbraw/zinc/97/62/25/1383976225.db2.gz DCVKJDPNXWDVTL-UHFFFAOYSA-N 0 0 344.220 3.169 10 5 EGBERN COc1ccc(CSCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001307404170 1383984157 /nfs/dbraw/zinc/98/41/57/1383984157.db2.gz YYFXTNOPGUINPL-UHFFFAOYSA-N 0 0 342.417 3.361 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC001307717430 1384018686 /nfs/dbraw/zinc/01/86/86/1384018686.db2.gz ZXRSARDIFWHFJM-ZDUSSCGKSA-N 0 0 343.221 3.358 10 5 EGBERN O=C(CN1CCC=C(Cl)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307891390 1384052041 /nfs/dbraw/zinc/05/20/41/1384052041.db2.gz QTCCOMSOBOOTKD-UHFFFAOYSA-N 0 0 330.171 3.015 10 5 EGBERN COC(=O)[C@@]1(NCc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC001307917086 1384055903 /nfs/dbraw/zinc/05/59/03/1384055903.db2.gz PBBKUDJIVPFWBX-SXUIPJSXSA-N 0 0 340.807 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCn3cccc3C2)c1 ZINC001308063242 1384083330 /nfs/dbraw/zinc/08/33/30/1384083330.db2.gz BNNCRQBZMKRLHR-UHFFFAOYSA-N 0 0 325.290 3.431 10 5 EGBERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001328933143 1388905256 /nfs/dbraw/zinc/90/52/56/1388905256.db2.gz XEZPPKDHYZBPAI-KSSFIOAISA-N 0 0 342.395 3.371 10 5 EGBERN CC[C@@H]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001312714688 1384366668 /nfs/dbraw/zinc/36/66/68/1384366668.db2.gz PFJUBJXBJIIXSA-ZIAGYGMSSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1ccc(CNC(=O)N2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC001313154559 1384400177 /nfs/dbraw/zinc/40/01/77/1384400177.db2.gz FEGXGBNQYUWSBU-UHFFFAOYSA-N 0 0 339.395 3.214 10 5 EGBERN O=C(NC1(C2CC2)CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001329025841 1388933980 /nfs/dbraw/zinc/93/39/80/1388933980.db2.gz BKWAYXLMZHVYMP-UHFFFAOYSA-N 0 0 340.379 3.437 10 5 EGBERN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 ZINC001175062616 1385188388 /nfs/dbraw/zinc/18/83/88/1385188388.db2.gz SYSRYXPEYNZSBT-KRWDZBQOSA-N 0 0 347.802 3.238 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001175669387 1385368827 /nfs/dbraw/zinc/36/88/27/1385368827.db2.gz NNMIKPLRGWERRS-INIZCTEOSA-N 0 0 339.395 3.285 10 5 EGBERN COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001318372771 1385658536 /nfs/dbraw/zinc/65/85/36/1385658536.db2.gz SEWCUTQNBWQRGL-GFCCVEGCSA-N 0 0 346.358 3.446 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@@H](CO)c2cc(F)ccc2F)ccc1Cl ZINC001176927116 1385746044 /nfs/dbraw/zinc/74/60/44/1385746044.db2.gz NGURWPGLCUPDHU-AWEZNQCLSA-N 0 0 342.729 3.350 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001319060982 1385949083 /nfs/dbraw/zinc/94/90/83/1385949083.db2.gz SAVUZHYDCNBEFM-UHFFFAOYSA-N 0 0 331.303 3.200 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179878873 1386615952 /nfs/dbraw/zinc/61/59/52/1386615952.db2.gz GCNNFBZWDJMDLG-ZDUSSCGKSA-N 0 0 343.383 3.338 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2CCCN2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001179878867 1386616227 /nfs/dbraw/zinc/61/62/27/1386616227.db2.gz GBCJVMKLPKOYJG-OAHLLOKOSA-N 0 0 340.383 3.093 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2cc[nH]c2c1 ZINC001321143502 1386820555 /nfs/dbraw/zinc/82/05/55/1386820555.db2.gz KQIJDKVPGWWTMI-UHFFFAOYSA-N 0 0 329.287 3.233 10 5 EGBERN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)Cc1ccccc1 ZINC001321204273 1386840200 /nfs/dbraw/zinc/84/02/00/1386840200.db2.gz HPASFZBYBSHTGX-UHFFFAOYSA-N 0 0 346.333 3.358 10 5 EGBERN Cc1ccc(C(=O)NC/C=C\CNCc2csc([N+](=O)[O-])c2)cc1 ZINC001321352238 1386883756 /nfs/dbraw/zinc/88/37/56/1386883756.db2.gz DWXKQKIDEAYWOG-IHWYPQMZSA-N 0 0 345.424 3.041 10 5 EGBERN O=C(Nc1ccc2c(c1)CCCO2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322122187 1387064242 /nfs/dbraw/zinc/06/42/42/1387064242.db2.gz MSMNHNQGZYGXQA-UHFFFAOYSA-N 0 0 339.351 3.468 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001322617754 1387214710 /nfs/dbraw/zinc/21/47/10/1387214710.db2.gz PGSRFZQPKNMSDX-GFCCVEGCSA-N 0 0 331.397 3.148 10 5 EGBERN COC[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001336888580 1389196681 /nfs/dbraw/zinc/19/66/81/1389196681.db2.gz ITAOOFYSHQIEBP-CYBMUJFWSA-N 0 0 330.319 3.181 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC001331242704 1389665974 /nfs/dbraw/zinc/66/59/74/1389665974.db2.gz FZLKGHJYYWGUGA-GRYCIOLGSA-N 0 0 340.326 3.075 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001339136304 1389915796 /nfs/dbraw/zinc/91/57/96/1389915796.db2.gz SFWJYRSHLWBOHH-UONOGXRCSA-N 0 0 341.367 3.303 10 5 EGBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H](C)CCO1 ZINC001339162819 1389925257 /nfs/dbraw/zinc/92/52/57/1389925257.db2.gz YJQRZDGRTLPFKX-ZIAGYGMSSA-N 0 0 332.400 3.042 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC001332246414 1390063254 /nfs/dbraw/zinc/06/32/54/1390063254.db2.gz ZVHOLWGUGUXXNH-OAHLLOKOSA-N 0 0 347.415 3.200 10 5 EGBERN CC(F)(F)C1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC001339698729 1390110692 /nfs/dbraw/zinc/11/06/92/1390110692.db2.gz FXWCKFVSCAQJRW-UHFFFAOYSA-N 0 0 336.697 3.439 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nnc([C@@H]2C[C@H]2C(F)(F)F)o1 ZINC001333092014 1390247969 /nfs/dbraw/zinc/24/79/69/1390247969.db2.gz VBJPGXLTRALXET-HTQZYQBOSA-N 0 0 329.234 3.223 10 5 EGBERN C[C@H](C(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC001341010734 1390424988 /nfs/dbraw/zinc/42/49/88/1390424988.db2.gz KUMBHGIPWVGRIY-FDQGKXFDSA-N 0 0 332.400 3.116 10 5 EGBERN O=C(NCC[C@H]1CC1(Cl)Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001334647582 1390563833 /nfs/dbraw/zinc/56/38/33/1390563833.db2.gz TWQHARYAPCIJQZ-NSHDSACASA-N 0 0 344.198 3.204 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CCO[C@H](CCF)C1 ZINC001344854807 1390819719 /nfs/dbraw/zinc/81/97/19/1390819719.db2.gz QZFUWRFLERHZKJ-GFCCVEGCSA-N 0 0 347.346 3.340 10 5 EGBERN Cc1cccc(C(=O)OC[C@@H]2CCOC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC001345002634 1390830008 /nfs/dbraw/zinc/83/00/08/1390830008.db2.gz QVYLYRHHAIRSGK-CQSZACIVSA-N 0 0 349.383 3.036 10 5 EGBERN C[C@H]([C@H](OC(=O)c1ccnn1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC001345232400 1390850257 /nfs/dbraw/zinc/85/02/57/1390850257.db2.gz CNSMXKKJKZIFRO-BZNIZROVSA-N 0 0 347.346 3.311 10 5 EGBERN CN(C)c1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc(Cl)n1 ZINC001345624037 1390869820 /nfs/dbraw/zinc/86/98/20/1390869820.db2.gz MCUHNPPQCJHPLP-UHFFFAOYSA-N 0 0 345.746 3.426 10 5 EGBERN CC1(C)[C@H](O)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939837 1390895580 /nfs/dbraw/zinc/89/55/80/1390895580.db2.gz VDOQUHBKXLBDIU-OAHLLOKOSA-N 0 0 329.356 3.125 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001346104161 1390907734 /nfs/dbraw/zinc/90/77/34/1390907734.db2.gz STZQHXZIBOHUHR-COXVUDFISA-N 0 0 347.415 3.399 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)OCC1([C@@H]2CCCCO2)CCC1 ZINC001346187531 1390913996 /nfs/dbraw/zinc/91/39/96/1390913996.db2.gz XUHXNBNUXRRNAN-INIZCTEOSA-N 0 0 349.383 3.256 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001346191455 1390914426 /nfs/dbraw/zinc/91/44/26/1390914426.db2.gz UDAXYJBFPQQOCH-COXVUDFISA-N 0 0 347.415 3.399 10 5 EGBERN CN(CCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC001346227508 1390916764 /nfs/dbraw/zinc/91/67/64/1390916764.db2.gz WATVWEXPLYJQGJ-UHFFFAOYSA-N 0 0 344.358 3.003 10 5 EGBERN C[C@@H](Cc1ccno1)OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001346693727 1390970869 /nfs/dbraw/zinc/97/08/69/1390970869.db2.gz XMYZITFGTYFOKO-LBPRGKRZSA-N 0 0 330.340 3.179 10 5 EGBERN CC(C)(CCC(=O)N1CCC(c2ccc(Cl)cn2)CC1)[N+](=O)[O-] ZINC001347454057 1391077622 /nfs/dbraw/zinc/07/76/22/1391077622.db2.gz VFLCYGFBRMWQMA-UHFFFAOYSA-N 0 0 339.823 3.277 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001347474785 1391080833 /nfs/dbraw/zinc/08/08/33/1391080833.db2.gz RSFMLXLHYJZUKK-NVXWUHKLSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[C@H]3[C@@H](C1)C3(F)F)CC2 ZINC001347743045 1391118473 /nfs/dbraw/zinc/11/84/73/1391118473.db2.gz ONXGPICVLLCVLC-FRRDWIJNSA-N 0 0 336.338 3.474 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001347821605 1391129797 /nfs/dbraw/zinc/12/97/97/1391129797.db2.gz HOJMVSXJBYEFMJ-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001348034558 1391163518 /nfs/dbraw/zinc/16/35/18/1391163518.db2.gz CLELEXMAZVSEAP-QWHCGFSZSA-N 0 0 346.412 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)Cn1ccc2ccc(F)cc21 ZINC001348477240 1391225999 /nfs/dbraw/zinc/22/59/99/1391225999.db2.gz PPCBMRFCTRJKRV-UHFFFAOYSA-N 0 0 344.298 3.303 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2([C@@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348591594 1391242318 /nfs/dbraw/zinc/24/23/18/1391242318.db2.gz ODKMGQPCASHJHM-CJNGLKHVSA-N 0 0 347.415 3.365 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc1 ZINC001348984547 1391292542 /nfs/dbraw/zinc/29/25/42/1391292542.db2.gz BWIPZUJUOYXJEW-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1(CF)CCC1 ZINC001349429924 1391329865 /nfs/dbraw/zinc/32/98/65/1391329865.db2.gz CWHZJJPMMXZOSY-UHFFFAOYSA-N 0 0 331.141 3.436 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001349860743 1391377141 /nfs/dbraw/zinc/37/71/41/1391377141.db2.gz YEOKFDSNJGWMGM-OAHLLOKOSA-N 0 0 345.355 3.113 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001350319232 1391446476 /nfs/dbraw/zinc/44/64/76/1391446476.db2.gz DLBLGZJVGMYVOX-CQSZACIVSA-N 0 0 344.367 3.420 10 5 EGBERN COc1cc(C(=O)NCc2cc3ccccc3o2)c([N+](=O)[O-])cc1F ZINC001350532184 1391476481 /nfs/dbraw/zinc/47/64/81/1391476481.db2.gz UABITGHEPGHVSR-UHFFFAOYSA-N 0 0 344.298 3.419 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001350932739 1391562264 /nfs/dbraw/zinc/56/22/64/1391562264.db2.gz SVJUMKPROMVVNV-GOSISDBHSA-N 0 0 340.379 3.128 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001351329858 1391627644 /nfs/dbraw/zinc/62/76/44/1391627644.db2.gz WXAMIJBHLCSNSV-JTQLQIEISA-N 0 0 343.314 3.189 10 5 EGBERN COc1ccc(NC(=O)c2ccn3c2nc(C)cc3C)c([N+](=O)[O-])c1 ZINC001351379272 1391634015 /nfs/dbraw/zinc/63/40/15/1391634015.db2.gz GNMWQHBLYKBMAC-UHFFFAOYSA-N 0 0 340.339 3.120 10 5 EGBERN Cc1ccc(C(N)=O)cc1NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001351886460 1391710873 /nfs/dbraw/zinc/71/08/73/1391710873.db2.gz LZPYJDGAOFNBNT-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CCCOc1cc(NC(=O)[C@H]2C[C@H]2F)c([N+](=O)[O-])cc1OCCC ZINC001352559831 1391813496 /nfs/dbraw/zinc/81/34/96/1391813496.db2.gz HYFPBSBXRXMYRL-WDEREUQCSA-N 0 0 340.351 3.469 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3ccnc3)nc2)c1C ZINC001352587851 1391818453 /nfs/dbraw/zinc/81/84/53/1391818453.db2.gz WAQOAIBFHSIECL-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001352594013 1391818878 /nfs/dbraw/zinc/81/88/78/1391818878.db2.gz VVIMCCGYSJVDAD-YRGRVCCFSA-N 0 0 346.383 3.412 10 5 EGBERN COC(=O)c1coc(/C=C\C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001352598080 1391819711 /nfs/dbraw/zinc/81/97/11/1391819711.db2.gz GDMLMDJWLKYFEY-ALCCZGGFSA-N 0 0 344.323 3.243 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001352634175 1391826699 /nfs/dbraw/zinc/82/66/99/1391826699.db2.gz CYCFLGGLJSXCRS-GFCCVEGCSA-N 0 0 330.315 3.232 10 5 EGBERN Cc1cc(F)cc(C)c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001352657175 1391828861 /nfs/dbraw/zinc/82/88/61/1391828861.db2.gz FUHAXAWQHCFSFT-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN COc1cccn2ncc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c12 ZINC001352649772 1391828899 /nfs/dbraw/zinc/82/88/99/1391828899.db2.gz XDTGPQYQJFCEJK-UHFFFAOYSA-N 0 0 346.730 3.157 10 5 EGBERN CCO[C@H](C(=O)N1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001352810489 1391852628 /nfs/dbraw/zinc/85/26/28/1391852628.db2.gz IGNDCSWHBROXFS-KRWDZBQOSA-N 0 0 332.400 3.469 10 5 EGBERN O=C(Oc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001352928355 1391884376 /nfs/dbraw/zinc/88/43/76/1391884376.db2.gz WTBSXIJPLFOWTL-UHFFFAOYSA-N 0 0 333.271 3.114 10 5 EGBERN CC(C)(C)CCCCNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001353127424 1391939207 /nfs/dbraw/zinc/93/92/07/1391939207.db2.gz SMWXJWRAXCMJBH-UHFFFAOYSA-N 0 0 345.403 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2-c2ccccc2C)n1 ZINC001353444228 1392012418 /nfs/dbraw/zinc/01/24/18/1392012418.db2.gz SDRCHUJANCAXGG-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCn1c(CNC(=O)c2c(F)cccc2[N+](=O)[O-])nc2ccccc21 ZINC001353475218 1392018730 /nfs/dbraw/zinc/01/87/30/1392018730.db2.gz ZBSDUHCGYMNIRK-UHFFFAOYSA-N 0 0 342.330 3.034 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCOc2cc(F)ccc21 ZINC001353544523 1392036107 /nfs/dbraw/zinc/03/61/07/1392036107.db2.gz CGNYONNPHNPNOG-UHFFFAOYSA-N 0 0 348.305 3.231 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC001353667082 1392063653 /nfs/dbraw/zinc/06/36/53/1392063653.db2.gz AYLJQNZAPFLYEF-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN COc1cc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)cc([N+](=O)[O-])c1C ZINC001354080319 1392119220 /nfs/dbraw/zinc/11/92/20/1392119220.db2.gz VMSKDEYQMFIALT-UHFFFAOYSA-N 0 0 346.295 3.348 10 5 EGBERN CCN(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001354231962 1392130666 /nfs/dbraw/zinc/13/06/66/1392130666.db2.gz BVXRRTCAXWUMAV-UHFFFAOYSA-N 0 0 334.322 3.464 10 5 EGBERN CNC(=O)c1cc(C)ccc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001354251792 1392133399 /nfs/dbraw/zinc/13/33/99/1392133399.db2.gz CTMIZPPCIZVQNO-UHFFFAOYSA-N 0 0 341.367 3.132 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1C ZINC001354526619 1392150606 /nfs/dbraw/zinc/15/06/06/1392150606.db2.gz ZGMQPYVCYYEFAF-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001355016511 1392185973 /nfs/dbraw/zinc/18/59/73/1392185973.db2.gz SVSKWFIXCMDJDC-OAHLLOKOSA-N 0 0 333.775 3.490 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001355055146 1392189893 /nfs/dbraw/zinc/18/98/93/1392189893.db2.gz FLXLXDMUGDXPAA-CXAGYDPISA-N 0 0 330.315 3.427 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC001355055971 1392189935 /nfs/dbraw/zinc/18/99/35/1392189935.db2.gz OWUBRJGYGGQMDO-LBPRGKRZSA-N 0 0 346.314 3.247 10 5 EGBERN CC/C(C)=C/C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481168193 1393140570 /nfs/dbraw/zinc/14/05/70/1393140570.db2.gz NWXDHVVDQVVBRM-WYMLVPIESA-N 0 0 331.416 3.032 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C)[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687491887 1396393428 /nfs/dbraw/zinc/39/34/28/1396393428.db2.gz HCXVZYDECQVERQ-XNJGSVPQSA-N 0 0 343.383 3.077 10 5 EGBERN C[C@@H](CNC(=O)NOCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001687732212 1396474104 /nfs/dbraw/zinc/47/41/04/1396474104.db2.gz FAODCEVPGZECIA-LBPRGKRZSA-N 0 0 347.346 3.268 10 5 EGBERN CCC(CC)(CC)C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001494606006 1396484720 /nfs/dbraw/zinc/48/47/20/1396484720.db2.gz FVXBPAVDASGMAN-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN CCC1(Cn2c(C)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001694473647 1406052623 /nfs/dbraw/zinc/05/26/23/1406052623.db2.gz IQQIMYZAIUTQSC-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001732025922 1428244302 /nfs/dbraw/zinc/24/43/02/1428244302.db2.gz YGXSDBPVYDYOAV-VWHBIUGESA-N 0 0 343.427 3.126 10 5 EGBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CC1(C)C ZINC001707892889 1417388393 /nfs/dbraw/zinc/38/83/93/1417388393.db2.gz MEGYJTVKYNFXMZ-HNNXBMFYSA-N 0 0 341.415 3.104 10 5 EGBERN CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001713706039 1418466040 /nfs/dbraw/zinc/46/60/40/1418466040.db2.gz UGZMQVQPVAJGDG-CALCHBBNSA-N 0 0 345.443 3.206 10 5 EGBERN CN(CCNC(=O)CC(C)(C)C1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001714533188 1419259497 /nfs/dbraw/zinc/25/94/97/1419259497.db2.gz DCLVSEQWLQUUJL-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN CC(C)=CC(=O)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001717945144 1421708803 /nfs/dbraw/zinc/70/88/03/1421708803.db2.gz IQSLUBJJRULASR-UHFFFAOYSA-N 0 0 333.432 3.230 10 5 EGBERN CCC(C)(C)CC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723762283 1424559688 /nfs/dbraw/zinc/55/96/88/1424559688.db2.gz AOHAUXQCAYYYDQ-UHFFFAOYSA-N 0 0 339.461 3.125 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC1 ZINC001728270740 1427141683 /nfs/dbraw/zinc/14/16/83/1427141683.db2.gz MDIICDWRLYVSSQ-UHFFFAOYSA-N 0 0 347.444 3.205 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCCOC ZINC001764707068 1441390882 /nfs/dbraw/zinc/39/08/82/1441390882.db2.gz IQSVMWUNXBBPPV-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CSC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001770371137 1441411932 /nfs/dbraw/zinc/41/19/32/1441411932.db2.gz WGYKEQCRMVCKQS-UHFFFAOYSA-N 0 0 349.460 3.273 10 5 EGBERN CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001770409988 1441411952 /nfs/dbraw/zinc/41/19/52/1441411952.db2.gz NJJTYYJMWOFMJL-LBPRGKRZSA-N 0 0 347.444 3.205 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000368194950 168323711 /nfs/dbraw/zinc/32/37/11/168323711.db2.gz TUYORSDQBLYMPY-SJORKVTESA-N 0 0 326.352 3.245 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000368249289 168331886 /nfs/dbraw/zinc/33/18/86/168331886.db2.gz JBUFEASDORDJMN-SJORKVTESA-N 0 0 326.352 3.245 10 5 EGBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000053573882 214189239 /nfs/dbraw/zinc/18/92/39/214189239.db2.gz MOYRAXCRCQNSMA-NSHDSACASA-N 0 0 335.385 3.139 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000183852358 282167372 /nfs/dbraw/zinc/16/73/72/282167372.db2.gz IJBOOQDZCCCXFH-NSHDSACASA-N 0 0 337.335 3.019 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000190105997 529653615 /nfs/dbraw/zinc/65/36/15/529653615.db2.gz CSJHBAYULTZMRM-IUODEOHRSA-N 0 0 349.431 3.103 10 5 EGBERN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000129550631 529721564 /nfs/dbraw/zinc/72/15/64/529721564.db2.gz JXFDETSPAYKLDZ-ZDUSSCGKSA-N 0 0 348.424 3.338 10 5 EGBERN CCc1nc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000183458516 529731316 /nfs/dbraw/zinc/73/13/16/529731316.db2.gz VJHOWVYAMPBQTP-UHFFFAOYSA-N 0 0 330.388 3.408 10 5 EGBERN Cc1nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000064329572 214782994 /nfs/dbraw/zinc/78/29/94/214782994.db2.gz RPTWKYCCYAJDQG-UHFFFAOYSA-N 0 0 338.323 3.134 10 5 EGBERN O=C(CSc1ncnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000004268530 210156580 /nfs/dbraw/zinc/15/65/80/210156580.db2.gz SVIPOVHCMWBLPT-UHFFFAOYSA-N 0 0 340.364 3.269 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1ccccc1O ZINC000179864938 233520237 /nfs/dbraw/zinc/52/02/37/233520237.db2.gz BLERLTLAJUVPLB-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN O=C(NCCCC1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531187259 313638939 /nfs/dbraw/zinc/63/89/39/313638939.db2.gz NXMQNIRJSFVHMW-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN COc1ccc(Cl)cc1Nc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040589484 213355087 /nfs/dbraw/zinc/35/50/87/213355087.db2.gz OYWYVDXTWDRQTA-UHFFFAOYSA-N 0 0 349.778 3.391 10 5 EGBERN NN=c1nc[nH]c(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] ZINC000040583275 213353872 /nfs/dbraw/zinc/35/38/72/213353872.db2.gz NYUZUBRVLSCASW-UHFFFAOYSA-N 0 0 348.672 3.086 10 5 EGBERN CCN(CC)c1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] ZINC000040608076 213357399 /nfs/dbraw/zinc/35/73/99/213357399.db2.gz OXEYMFSBZFSVJQ-UHFFFAOYSA-N 0 0 329.360 3.177 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000373825476 168748114 /nfs/dbraw/zinc/74/81/14/168748114.db2.gz RGKIGBIPKKFCHE-HNNXBMFYSA-N 0 0 349.726 3.166 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000341955104 299246448 /nfs/dbraw/zinc/24/64/48/299246448.db2.gz VFLSJPOCVDXZBQ-RLFDGXBXSA-N 0 0 344.342 3.417 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000072203795 216068991 /nfs/dbraw/zinc/06/89/91/216068991.db2.gz GQVYXXWSRRLWHI-NWDGAFQWSA-N 0 0 336.392 3.238 10 5 EGBERN Nc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000023386928 212374441 /nfs/dbraw/zinc/37/44/41/212374441.db2.gz IGYLOUYPMNSYMG-NXEZZACHSA-N 0 0 331.294 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1 ZINC000023296185 212365759 /nfs/dbraw/zinc/36/57/59/212365759.db2.gz VYHVOHLCTRQXOR-HNNXBMFYSA-N 0 0 341.367 3.493 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000193867789 240341420 /nfs/dbraw/zinc/34/14/20/240341420.db2.gz LNRSRZMFCFZKJZ-ZDUSSCGKSA-N 0 0 327.340 3.057 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000369714786 242016664 /nfs/dbraw/zinc/01/66/64/242016664.db2.gz LTTKNHZROJPLBQ-SFHVURJKSA-N 0 0 343.358 3.120 10 5 EGBERN Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000021125972 212210078 /nfs/dbraw/zinc/21/00/78/212210078.db2.gz OITXSKZBRYDINA-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN Cc1c(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845126 243326316 /nfs/dbraw/zinc/32/63/16/243326316.db2.gz VIAHIJRQWNPSBM-KSSFIOAISA-N 0 0 348.349 3.489 10 5 EGBERN COc1ccccc1Oc1ncnc(Nc2cccnc2)c1[N+](=O)[O-] ZINC000040628614 213361336 /nfs/dbraw/zinc/36/13/36/213361336.db2.gz YUHYUXDNBDCQJF-UHFFFAOYSA-N 0 0 339.311 3.324 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000078995548 217169003 /nfs/dbraw/zinc/16/90/03/217169003.db2.gz OHOKVBOXSOVAAG-LURJTMIESA-N 0 0 329.179 3.382 10 5 EGBERN COc1cc(N[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000084651657 217626182 /nfs/dbraw/zinc/62/61/82/217626182.db2.gz BXVVQDPNAKMENZ-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN CC(=O)N[C@H](C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000084809422 217647722 /nfs/dbraw/zinc/64/77/22/217647722.db2.gz LAHQOGQJFTZYHB-PXAZEXFGSA-N 0 0 348.399 3.202 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087219899 217720137 /nfs/dbraw/zinc/72/01/37/217720137.db2.gz MXHGTJIMBLJZSZ-UHFFFAOYSA-N 0 0 341.411 3.404 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CCC2)n1 ZINC000265334114 247415216 /nfs/dbraw/zinc/41/52/16/247415216.db2.gz TZXOSUKZUDDWGP-UHFFFAOYSA-N 0 0 335.360 3.308 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266841802 248472189 /nfs/dbraw/zinc/47/21/89/248472189.db2.gz VLDYNJXNOWUAIB-UHFFFAOYSA-N 0 0 348.790 3.027 10 5 EGBERN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])o1 ZINC000378546848 169137901 /nfs/dbraw/zinc/13/79/01/169137901.db2.gz GBZRZNKOQLYYFF-CYBMUJFWSA-N 0 0 344.371 3.307 10 5 EGBERN O=C(NCc1cnn(-c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000010464391 211176129 /nfs/dbraw/zinc/17/61/29/211176129.db2.gz XASRKEWYWYJXRK-UHFFFAOYSA-N 0 0 337.339 3.102 10 5 EGBERN CC(=O)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010151090 211150494 /nfs/dbraw/zinc/15/04/94/211150494.db2.gz KWSRJECYGAGISY-UHFFFAOYSA-N 0 0 326.268 3.045 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ccc([N+](=O)[O-])cn1 ZINC000095086585 218277646 /nfs/dbraw/zinc/27/76/46/218277646.db2.gz CJTGAACZXRQJFL-ZDUSSCGKSA-N 0 0 337.376 3.158 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)cc1OC(F)F ZINC000267278741 250898497 /nfs/dbraw/zinc/89/84/97/250898497.db2.gz OJZYNJAUYSDIAF-GFCCVEGCSA-N 0 0 338.310 3.384 10 5 EGBERN COC(=O)c1cc(NCCCn2nc(C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000267928563 251461397 /nfs/dbraw/zinc/46/13/97/251461397.db2.gz GQFRHVWENBCBOD-UHFFFAOYSA-N 0 0 346.387 3.005 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000267933407 251465004 /nfs/dbraw/zinc/46/50/04/251465004.db2.gz GDIHVKCTFJNEIF-NSHDSACASA-N 0 0 329.356 3.432 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000152763173 224008626 /nfs/dbraw/zinc/00/86/26/224008626.db2.gz QSJCQYVAVKHFPP-BLLLJJGKSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2OCCc3ccccc32)n1 ZINC000359103882 291824360 /nfs/dbraw/zinc/82/43/60/291824360.db2.gz JIXZFPXFXTZYTR-MRXNPFEDSA-N 0 0 327.384 3.357 10 5 EGBERN COC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000131619954 533048414 /nfs/dbraw/zinc/04/84/14/533048414.db2.gz MTPVXOIYPGDFQV-KRWDZBQOSA-N 0 0 328.368 3.031 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c2ncc(I)cc12 ZINC000068577602 285116893 /nfs/dbraw/zinc/11/68/93/285116893.db2.gz QXDMBCJYCPVBAM-UHFFFAOYSA-N 0 0 334.500 3.401 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000097596958 219038056 /nfs/dbraw/zinc/03/80/56/219038056.db2.gz LCRLCHBSOVWQDB-GOSISDBHSA-N 0 0 349.431 3.086 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1cn(C)nc1C(F)(F)F ZINC000119037850 221228385 /nfs/dbraw/zinc/22/83/85/221228385.db2.gz YUDMDKQOKADARQ-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN COc1cccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066884 221236331 /nfs/dbraw/zinc/23/63/31/221236331.db2.gz UGJHQWLHUMYTLY-GOSISDBHSA-N 0 0 328.368 3.177 10 5 EGBERN O=C1CCCC(=O)N1c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000004684542 135665665 /nfs/dbraw/zinc/66/56/65/135665665.db2.gz BXTBWNZRBGOJGC-UHFFFAOYSA-N 0 0 341.323 3.088 10 5 EGBERN CC(C)COc1ccccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102235336 140851772 /nfs/dbraw/zinc/85/17/72/140851772.db2.gz HMWPENUPLZMZHI-UHFFFAOYSA-N 0 0 346.387 3.200 10 5 EGBERN CC(C)Oc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000338139588 141101407 /nfs/dbraw/zinc/10/14/07/141101407.db2.gz GGMPTFYEGHRXOL-UHFFFAOYSA-N 0 0 343.383 3.092 10 5 EGBERN Cc1ccncc1N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000341253790 141144127 /nfs/dbraw/zinc/14/41/27/141144127.db2.gz MKWSJPRKOXOJIH-OAHLLOKOSA-N 0 0 326.400 3.181 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)CCNc3ccccc3[N+](=O)[O-])nc2c1 ZINC000344473730 141160231 /nfs/dbraw/zinc/16/02/31/141160231.db2.gz GVMZWZBGWGRWOV-UHFFFAOYSA-N 0 0 339.355 3.220 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc(C)ccc3[nH]2)c1 ZINC000344476831 141161410 /nfs/dbraw/zinc/16/14/10/141161410.db2.gz FZFWKSBTMYXXLG-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000353469081 141303873 /nfs/dbraw/zinc/30/38/73/141303873.db2.gz FWBJSMOXKCATNZ-CYBMUJFWSA-N 0 0 348.428 3.387 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000356832277 141350817 /nfs/dbraw/zinc/35/08/17/141350817.db2.gz KJAGGBCWYVRSDJ-SSDOTTSWSA-N 0 0 337.304 3.146 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000343087912 142641015 /nfs/dbraw/zinc/64/10/15/142641015.db2.gz XJESZBACUAIALJ-GXTWGEPZSA-N 0 0 345.330 3.192 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000172919361 144030939 /nfs/dbraw/zinc/03/09/39/144030939.db2.gz IPBGDVMGWDCRPQ-LLVKDONJSA-N 0 0 331.397 3.209 10 5 EGBERN Cc1nc2cc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])ccc2o1 ZINC000173148947 144036496 /nfs/dbraw/zinc/03/64/96/144036496.db2.gz ZMSZFDZPDVPTAI-UHFFFAOYSA-N 0 0 340.339 3.119 10 5 EGBERN Cc1nnc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378772 144040102 /nfs/dbraw/zinc/04/01/02/144040102.db2.gz RCXDRMDOBXXMFJ-SJCJKPOMSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184944907 144101438 /nfs/dbraw/zinc/10/14/38/144101438.db2.gz RZCBEPWTOSURJW-QMTHXVAHSA-N 0 0 344.371 3.087 10 5 EGBERN CC(C)C1(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000343196513 144193524 /nfs/dbraw/zinc/19/35/24/144193524.db2.gz WNJBYRGAZPMPBQ-UHFFFAOYSA-N 0 0 347.415 3.136 10 5 EGBERN Nc1c(F)c(N2CCC(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000344932902 144243765 /nfs/dbraw/zinc/24/37/65/144243765.db2.gz GIMSJJFRFOQEQK-UHFFFAOYSA-N 0 0 331.347 3.406 10 5 EGBERN CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000351499789 144270274 /nfs/dbraw/zinc/27/02/74/144270274.db2.gz CNSKZWBQQSAINR-CJNGLKHVSA-N 0 0 346.774 3.027 10 5 EGBERN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351722092 144296864 /nfs/dbraw/zinc/29/68/64/144296864.db2.gz UQOFKSPJJYTXPA-SECBINFHSA-N 0 0 336.294 3.453 10 5 EGBERN Cc1ccc(C)c([C@H](C)N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000351769914 144304426 /nfs/dbraw/zinc/30/44/26/144304426.db2.gz ZZLGIXDIDVHVLX-AWEZNQCLSA-N 0 0 330.388 3.018 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000351836058 144313673 /nfs/dbraw/zinc/31/36/73/144313673.db2.gz VHJIOYZQXGAZHO-LBPRGKRZSA-N 0 0 342.351 3.465 10 5 EGBERN C[C@@H](NC(=O)COc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000361673724 144348295 /nfs/dbraw/zinc/34/82/95/144348295.db2.gz MBCPNTBFTCVERD-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c(C)c1OC ZINC000362124197 144359695 /nfs/dbraw/zinc/35/96/95/144359695.db2.gz JOFZCIFOWUUNSN-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341086214 155149988 /nfs/dbraw/zinc/14/99/88/155149988.db2.gz MWVXTBRLRHFDPB-CWRNSKLLSA-N 0 0 335.404 3.160 10 5 EGBERN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000341277325 155225573 /nfs/dbraw/zinc/22/55/73/155225573.db2.gz FPNWNHPCKAARJF-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN C[C@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341279866 155227382 /nfs/dbraw/zinc/22/73/82/155227382.db2.gz HNYQQGLKQTYIPK-LBPRGKRZSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000341301640 155234838 /nfs/dbraw/zinc/23/48/38/155234838.db2.gz YNHMUBNNVJCNFX-NEPJUHHUSA-N 0 0 332.331 3.379 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116040389 152039719 /nfs/dbraw/zinc/03/97/19/152039719.db2.gz IBQXYCZZCODVBC-CYBMUJFWSA-N 0 0 330.340 3.320 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116420532 152060666 /nfs/dbraw/zinc/06/06/66/152060666.db2.gz KVUPFSDSTQDVLR-AWEZNQCLSA-N 0 0 345.355 3.243 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000118263807 152133050 /nfs/dbraw/zinc/13/30/50/152133050.db2.gz JRWPHYSNSAIJTK-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1OC1CCC1 ZINC000118266716 152133202 /nfs/dbraw/zinc/13/32/02/152133202.db2.gz ZTRUEKJCKVZAAU-UHFFFAOYSA-N 0 0 340.379 3.385 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000120416193 152274326 /nfs/dbraw/zinc/27/43/26/152274326.db2.gz XPMPXACQPQORCC-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN CSCCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121722432 152367968 /nfs/dbraw/zinc/36/79/68/152367968.db2.gz PNHINPNUIQVTHV-UHFFFAOYSA-N 0 0 337.445 3.412 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CCCC1 ZINC000185641564 152988179 /nfs/dbraw/zinc/98/81/79/152988179.db2.gz HKHSCXFWIVDTGS-LLVKDONJSA-N 0 0 349.412 3.000 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000189971950 153109093 /nfs/dbraw/zinc/10/90/93/153109093.db2.gz RBFIVUKRQGUTEX-OAHLLOKOSA-N 0 0 341.367 3.226 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190269036 153128624 /nfs/dbraw/zinc/12/86/24/153128624.db2.gz QMVWGJIOUGABPY-JTQLQIEISA-N 0 0 336.294 3.486 10 5 EGBERN O=C(NCc1ccc(C2CC2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000191415328 153195131 /nfs/dbraw/zinc/19/51/31/153195131.db2.gz OYDXZBFKUICJGQ-UHFFFAOYSA-N 0 0 325.368 3.472 10 5 EGBERN COc1ccc(CNC(=O)NC2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000341022828 155125469 /nfs/dbraw/zinc/12/54/69/155125469.db2.gz SGSYEQLDBGOYDH-UHFFFAOYSA-N 0 0 335.404 3.371 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346928241 156200774 /nfs/dbraw/zinc/20/07/74/156200774.db2.gz VDFPPVVKFOUUSS-LBPRGKRZSA-N 0 0 331.294 3.240 10 5 EGBERN CCOC(=O)c1nnc(Sc2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC000360082750 156909637 /nfs/dbraw/zinc/90/96/37/156909637.db2.gz NDTCVPYJBMDGRV-UHFFFAOYSA-N 0 0 343.361 3.222 10 5 EGBERN Cc1c(CNC(=O)Nc2ccnn2[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000362121462 157033486 /nfs/dbraw/zinc/03/34/86/157033486.db2.gz BJHCJFCRUTXFJF-GFCCVEGCSA-N 0 0 343.387 3.392 10 5 EGBERN COc1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC000372780318 157383108 /nfs/dbraw/zinc/38/31/08/157383108.db2.gz HQZGZDLWILRILL-CYBMUJFWSA-N 0 0 330.388 3.350 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000077933867 161754301 /nfs/dbraw/zinc/75/43/01/161754301.db2.gz ZWNAOEQTTVOKAI-UONOGXRCSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1C ZINC000078470072 161771897 /nfs/dbraw/zinc/77/18/97/161771897.db2.gz AKSKWADSJDEJLG-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114107370 162222506 /nfs/dbraw/zinc/22/25/06/162222506.db2.gz XBHKRWXNKGSYRT-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115144358 162240883 /nfs/dbraw/zinc/24/08/83/162240883.db2.gz COQMGRQSBOIEHM-SWLSCSKDSA-N 0 0 325.368 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)c(F)c1 ZINC000126468822 162304642 /nfs/dbraw/zinc/30/46/42/162304642.db2.gz FBBXHSDTCPTXMD-KRWDZBQOSA-N 0 0 332.331 3.013 10 5 EGBERN Cc1cccc(-c2noc(COc3cc(C=O)ccc3[N+](=O)[O-])n2)c1 ZINC000129655769 162362241 /nfs/dbraw/zinc/36/22/41/162362241.db2.gz LHMYRGCAVJZZDT-UHFFFAOYSA-N 0 0 339.307 3.345 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000129676606 162362481 /nfs/dbraw/zinc/36/24/81/162362481.db2.gz UNZATYXOLMDQDI-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN Cc1nc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000133959757 162476339 /nfs/dbraw/zinc/47/63/39/162476339.db2.gz XTHIYGVDGJGSFJ-JQWIXIFHSA-N 0 0 333.294 3.319 10 5 EGBERN CC(C)c1nn(-c2ccccc2)cc1CNc1ncc([N+](=O)[O-])s1 ZINC000337020615 163106470 /nfs/dbraw/zinc/10/64/70/163106470.db2.gz QQGNPYQBXXKAKA-UHFFFAOYSA-N 0 0 343.412 3.394 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(SC)cc2)n1 ZINC000337108404 163130164 /nfs/dbraw/zinc/13/01/64/163130164.db2.gz KJYROQUHNMNJOF-JTQLQIEISA-N 0 0 334.401 3.024 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338811966 163354269 /nfs/dbraw/zinc/35/42/69/163354269.db2.gz KRFZPPGRQBGXOO-AWEZNQCLSA-N 0 0 335.429 3.163 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)[C@@H]1n1cccn1 ZINC000338842867 163361506 /nfs/dbraw/zinc/36/15/06/163361506.db2.gz XVZMJAALBHRNNS-BMFZPTHFSA-N 0 0 334.351 3.069 10 5 EGBERN COc1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000340394378 163568539 /nfs/dbraw/zinc/56/85/39/163568539.db2.gz UHMRPJFYMWLHPP-UHFFFAOYSA-N 0 0 344.342 3.091 10 5 EGBERN C[C@@H]1c2ccccc2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000340845862 163676924 /nfs/dbraw/zinc/67/69/24/163676924.db2.gz JVODJMOSNMAYSW-GFCCVEGCSA-N 0 0 332.381 3.001 10 5 EGBERN CC(C)OCCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000341066455 163712432 /nfs/dbraw/zinc/71/24/32/163712432.db2.gz PQVLPMVWCLIGSR-UHFFFAOYSA-N 0 0 346.330 3.131 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1[C@H](C)C1CC1 ZINC000342636303 163929627 /nfs/dbraw/zinc/92/96/27/163929627.db2.gz TUJYRPNPMWJWSW-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN COc1cc(OC)cc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000342721473 163949594 /nfs/dbraw/zinc/94/95/94/163949594.db2.gz MPUVAWUKOJQORM-UHFFFAOYSA-N 0 0 332.356 3.257 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2ncn(C)c21)c1cccc([N+](=O)[O-])c1 ZINC000343744657 164024633 /nfs/dbraw/zinc/02/46/33/164024633.db2.gz XTFYJHPVQMKQEI-OAHLLOKOSA-N 0 0 338.367 3.363 10 5 EGBERN CC[C@@H](CC(F)(F)F)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343774915 164032113 /nfs/dbraw/zinc/03/21/13/164032113.db2.gz VZZWGCZOFKXKGM-ZETCQYMHSA-N 0 0 340.248 3.263 10 5 EGBERN COc1cc(NCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000343864885 164052947 /nfs/dbraw/zinc/05/29/47/164052947.db2.gz RCMWLCSYSWSZAB-UHFFFAOYSA-N 0 0 334.303 3.126 10 5 EGBERN COc1cc(NCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1F ZINC000343925479 164068301 /nfs/dbraw/zinc/06/83/01/164068301.db2.gz RGCFWSIRBDQGSQ-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000344026269 164085278 /nfs/dbraw/zinc/08/52/78/164085278.db2.gz ZSAOELAXARYBMD-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN COC(=O)CSCc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000344441053 164179275 /nfs/dbraw/zinc/17/92/75/164179275.db2.gz QCUCMOWQKROXSQ-UHFFFAOYSA-N 0 0 333.369 3.140 10 5 EGBERN COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344443302 164179896 /nfs/dbraw/zinc/17/98/96/164179896.db2.gz UFOFSOUBGBGYNN-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN O=C(NCCCNc1ccccc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000345719598 164251322 /nfs/dbraw/zinc/25/13/22/164251322.db2.gz XXXCERHQFOJJEP-UHFFFAOYSA-N 0 0 335.310 3.105 10 5 EGBERN CCOC1CC(N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000345781423 164264753 /nfs/dbraw/zinc/26/47/53/164264753.db2.gz ADIYSPIRLCQBAZ-UHFFFAOYSA-N 0 0 346.305 3.253 10 5 EGBERN CCCOc1ccc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)cc1 ZINC000346012489 164317691 /nfs/dbraw/zinc/31/76/91/164317691.db2.gz JBXCRFAXBMRAPB-UHFFFAOYSA-N 0 0 343.343 3.317 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC)c1nccs1 ZINC000348280937 164693087 /nfs/dbraw/zinc/69/30/87/164693087.db2.gz RKPVNCHAJJBGHV-JTQLQIEISA-N 0 0 335.385 3.331 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000348311480 164705383 /nfs/dbraw/zinc/70/53/83/164705383.db2.gz WMJJQVSMPOXYBX-ZDUSSCGKSA-N 0 0 344.396 3.274 10 5 EGBERN CC(=O)CCC(C)(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351613992 165103426 /nfs/dbraw/zinc/10/34/26/165103426.db2.gz CZLUVEUUKIHWOF-UHFFFAOYSA-N 0 0 340.807 3.302 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCc1nnc(C2CCC2)n1C ZINC000352039424 165205474 /nfs/dbraw/zinc/20/54/74/165205474.db2.gz GDXDUONOEFYFGN-UHFFFAOYSA-N 0 0 331.376 3.002 10 5 EGBERN O=C1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000352368857 165367264 /nfs/dbraw/zinc/36/72/64/165367264.db2.gz WFBLANZMYWYZRZ-MRXNPFEDSA-N 0 0 348.362 3.360 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000352417934 165389864 /nfs/dbraw/zinc/38/98/64/165389864.db2.gz WICPNNVDIMYJLQ-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN CC[C@@H](C)Oc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000353394451 165752591 /nfs/dbraw/zinc/75/25/91/165752591.db2.gz FSMUXOSXXIDLLE-LLVKDONJSA-N 0 0 332.360 3.241 10 5 EGBERN Cc1ccc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355186679 166126789 /nfs/dbraw/zinc/12/67/89/166126789.db2.gz WLUFURBOYSXBBW-XIKOKIGWSA-N 0 0 334.416 3.210 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000355227250 166140989 /nfs/dbraw/zinc/14/09/89/166140989.db2.gz BXNVAFDJFLEYNR-UHFFFAOYSA-N 0 0 339.351 3.323 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1F ZINC000355389312 166181946 /nfs/dbraw/zinc/18/19/46/166181946.db2.gz WMKXPWJKMMPPEC-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1cc(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)ccc1C ZINC000355770939 166303304 /nfs/dbraw/zinc/30/33/04/166303304.db2.gz DONFJMNNUUKNTO-UHFFFAOYSA-N 0 0 340.339 3.256 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356754067 166501327 /nfs/dbraw/zinc/50/13/27/166501327.db2.gz ZTQJWLWMZCIBHE-ONGXEEELSA-N 0 0 345.321 3.330 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCCC[C@@H]1CCO ZINC000356781490 166508097 /nfs/dbraw/zinc/50/80/97/166508097.db2.gz BIIVFKMQPQSPIU-CYBMUJFWSA-N 0 0 332.356 3.108 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2N2CCOCC2)cn1 ZINC000358486403 166877140 /nfs/dbraw/zinc/87/71/40/166877140.db2.gz XMNQVZYUNVZAMZ-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000358933471 167011126 /nfs/dbraw/zinc/01/11/26/167011126.db2.gz PDLREZSVNQMYBB-HNNXBMFYSA-N 0 0 349.431 3.205 10 5 EGBERN O=C(NCC1CCSCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358964865 167021899 /nfs/dbraw/zinc/02/18/99/167021899.db2.gz ISJZUDAFAMYYDX-UHFFFAOYSA-N 0 0 346.355 3.069 10 5 EGBERN COCCOc1ccccc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359081487 167061879 /nfs/dbraw/zinc/06/18/79/167061879.db2.gz JKXYEVYZYSGNBG-UHFFFAOYSA-N 0 0 331.372 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cnn(Cc3ccccc3)c2)n1 ZINC000359085894 167062562 /nfs/dbraw/zinc/06/25/62/167062562.db2.gz UKKLENYJTVVBOB-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN COC(=O)[C@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000359090499 167063505 /nfs/dbraw/zinc/06/35/05/167063505.db2.gz FYTKJBVKYGKELU-OAHLLOKOSA-N 0 0 343.383 3.284 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cc(Cl)ccc2n1 ZINC000359442084 167157429 /nfs/dbraw/zinc/15/74/29/167157429.db2.gz VMFSCIPFNPGREW-UHFFFAOYSA-N 0 0 334.767 3.033 10 5 EGBERN Cc1noc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000359721008 167214277 /nfs/dbraw/zinc/21/42/77/167214277.db2.gz ILXHRLFEIZKFEH-UHFFFAOYSA-N 0 0 344.371 3.055 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000360393212 167318772 /nfs/dbraw/zinc/31/87/72/167318772.db2.gz IAOWABJEWLRLJW-KRWDZBQOSA-N 0 0 349.387 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c(F)c1 ZINC000360550896 167355931 /nfs/dbraw/zinc/35/59/31/167355931.db2.gz KAJIVZAPDGEHJY-UHFFFAOYSA-N 0 0 342.392 3.079 10 5 EGBERN COC[C@H](C)[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000360726572 167398871 /nfs/dbraw/zinc/39/88/71/167398871.db2.gz CRVUUYXEQKLACF-DTWKUNHWSA-N 0 0 345.193 3.214 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)ccc1F ZINC000360918014 167447867 /nfs/dbraw/zinc/44/78/67/167447867.db2.gz FBDIBVGJBYYKLI-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000362475130 167767693 /nfs/dbraw/zinc/76/76/93/167767693.db2.gz XGLZNXSVPBJVOY-UHFFFAOYSA-N 0 0 335.389 3.030 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000365011676 168011190 /nfs/dbraw/zinc/01/11/90/168011190.db2.gz ZUPJUONWMMQCOX-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1C[C@H]1c1cccnc1 ZINC000366184918 168092352 /nfs/dbraw/zinc/09/23/52/168092352.db2.gz MXSDAKSEBXRLEH-UONOGXRCSA-N 0 0 334.335 3.280 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000366641438 168126940 /nfs/dbraw/zinc/12/69/40/168126940.db2.gz VADNKTIMXLJBKN-MRXNPFEDSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1F ZINC000367406733 168221292 /nfs/dbraw/zinc/22/12/92/168221292.db2.gz ZYMKZHQGXLUYCG-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCOC2 ZINC000367424736 168223733 /nfs/dbraw/zinc/22/37/33/168223733.db2.gz VTXIZXPLJFXBJY-HNNXBMFYSA-N 0 0 339.779 3.283 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000367462343 168229736 /nfs/dbraw/zinc/22/97/36/168229736.db2.gz CURMNOJTSRSAQL-GOSISDBHSA-N 0 0 342.351 3.081 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174315195 265041647 /nfs/dbraw/zinc/04/16/47/265041647.db2.gz OPOGHVMDINAYNQ-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000175678263 265129097 /nfs/dbraw/zinc/12/90/97/265129097.db2.gz QOTNLBROYNTIBT-QWRGUYRKSA-N 0 0 344.820 3.059 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1C ZINC000175678184 265129477 /nfs/dbraw/zinc/12/94/77/265129477.db2.gz JRRBMCITHJKQAD-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176703954 265197468 /nfs/dbraw/zinc/19/74/68/265197468.db2.gz FYCVTIQAQJEDSU-LSDHHAIUSA-N 0 0 337.420 3.142 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530782 265324105 /nfs/dbraw/zinc/32/41/05/265324105.db2.gz CPWFTRACEQSHAU-GFCCVEGCSA-N 0 0 340.807 3.412 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccs1 ZINC000179131835 265363100 /nfs/dbraw/zinc/36/31/00/265363100.db2.gz LYFRMAOTXRCYJN-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000191501825 265908435 /nfs/dbraw/zinc/90/84/35/265908435.db2.gz XJWFXWITWNJCOJ-JTQLQIEISA-N 0 0 336.779 3.298 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193853787 266069321 /nfs/dbraw/zinc/06/93/21/266069321.db2.gz HRYQUXKAGCZHHR-UHFFFAOYSA-N 0 0 339.273 3.349 10 5 EGBERN COc1cccc(C(=O)N(C)CCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000193900264 266073002 /nfs/dbraw/zinc/07/30/02/266073002.db2.gz CEYMSVCTQBTPLJ-UHFFFAOYSA-N 0 0 344.367 3.063 10 5 EGBERN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cc1 ZINC000195112928 266161209 /nfs/dbraw/zinc/16/12/09/266161209.db2.gz VUCFTCWOPWSNGA-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000273253140 267007018 /nfs/dbraw/zinc/00/70/18/267007018.db2.gz JLNVORFRTDRCAN-HFBDAHEESA-N 0 0 330.384 3.216 10 5 EGBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273458005 267042981 /nfs/dbraw/zinc/04/29/81/267042981.db2.gz FYXKDAKBBVECEO-AWEZNQCLSA-N 0 0 348.424 3.426 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3cc(C)c([N+](=O)[O-])cn3)ccc21 ZINC000273545274 267057317 /nfs/dbraw/zinc/05/73/17/267057317.db2.gz XSYZHFRQVOJAMY-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN C[C@@H](c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1)C1CC1 ZINC000273851170 267124739 /nfs/dbraw/zinc/12/47/39/267124739.db2.gz CEPKLQOIMBKAJZ-SNVBAGLBSA-N 0 0 325.328 3.344 10 5 EGBERN COc1cccc(N[C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000274714734 267276136 /nfs/dbraw/zinc/27/61/36/267276136.db2.gz VWSXGOIYEADOAA-GFCCVEGCSA-N 0 0 338.429 3.460 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274904063 267304716 /nfs/dbraw/zinc/30/47/16/267304716.db2.gz HVEGEXTVKDDELO-GFCCVEGCSA-N 0 0 343.387 3.127 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCCO1 ZINC000276547993 267571699 /nfs/dbraw/zinc/57/16/99/267571699.db2.gz HBZKTBSDFIEGJU-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN C[C@H]1COCC[C@@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277640556 267835508 /nfs/dbraw/zinc/83/55/08/267835508.db2.gz NPLZWIKCJNMBCK-CBAPKCEASA-N 0 0 349.265 3.359 10 5 EGBERN CCC(O)(CC)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278384815 268000538 /nfs/dbraw/zinc/00/05/38/268000538.db2.gz UIBJPRGQWMIZRP-UHFFFAOYSA-N 0 0 328.796 3.228 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000278454965 268017133 /nfs/dbraw/zinc/01/71/33/268017133.db2.gz UZHGLGDUKLOGEF-JTQLQIEISA-N 0 0 331.294 3.079 10 5 EGBERN O=[N+]([O-])c1cnccc1Oc1cccc(I)c1 ZINC000042418334 275126470 /nfs/dbraw/zinc/12/64/70/275126470.db2.gz XZGGBBMDUDVPMT-UHFFFAOYSA-N 0 0 342.092 3.387 10 5 EGBERN C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000363872566 274637111 /nfs/dbraw/zinc/63/71/11/274637111.db2.gz NSXXVWIOWHOBCK-WBMJQRKESA-N 0 0 343.408 3.309 10 5 EGBERN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc(Br)o1 ZINC000045387267 275024771 /nfs/dbraw/zinc/02/47/71/275024771.db2.gz PCDCHPFMFNSMBF-UXBLZVDNSA-N 0 0 335.113 3.443 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2COc3c2ccc(Cl)c3Cl)nc1 ZINC000363912892 275041693 /nfs/dbraw/zinc/04/16/93/275041693.db2.gz UNIOKYMPLVZMQQ-VIFPVBQESA-N 0 0 327.127 3.237 10 5 EGBERN O=[N+]([O-])c1cc(CSc2nnc(N3CCCC3)s2)cs1 ZINC000048874134 275147501 /nfs/dbraw/zinc/14/75/01/275147501.db2.gz ZEZMNFSRPXAUKR-UHFFFAOYSA-N 0 0 328.444 3.400 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000089455733 275152976 /nfs/dbraw/zinc/15/29/76/275152976.db2.gz ADHKEDVFSWRTFI-INIZCTEOSA-N 0 0 328.368 3.419 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106547877 275169088 /nfs/dbraw/zinc/16/90/88/275169088.db2.gz BNGQBVXUKNWRNZ-INIZCTEOSA-N 0 0 335.404 3.086 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000110566119 275181097 /nfs/dbraw/zinc/18/10/97/275181097.db2.gz DWEXELJLIBFWMZ-YJYMSZOUSA-N 0 0 340.379 3.413 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976050 275214317 /nfs/dbraw/zinc/21/43/17/275214317.db2.gz GGXWELKZGRPIRR-TZMCWYRMSA-N 0 0 343.383 3.217 10 5 EGBERN C[C@H]1C[C@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000184987730 275214425 /nfs/dbraw/zinc/21/44/25/275214425.db2.gz YQOAFQRJCGZVHU-STQMWFEESA-N 0 0 343.383 3.026 10 5 EGBERN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272263348 275243510 /nfs/dbraw/zinc/24/35/10/275243510.db2.gz JOYZHBKBJOPZCJ-NSHDSACASA-N 0 0 333.775 3.106 10 5 EGBERN C[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000276490870 275253602 /nfs/dbraw/zinc/25/36/02/275253602.db2.gz ADFCZSXMZYWNFM-LLVKDONJSA-N 0 0 328.372 3.078 10 5 EGBERN COC(=O)CC1(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCCC1 ZINC000279374044 275326192 /nfs/dbraw/zinc/32/61/92/275326192.db2.gz JPXOAGWJDDDNGS-UHFFFAOYSA-N 0 0 349.387 3.209 10 5 EGBERN C[C@H]1C[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279617627 275344283 /nfs/dbraw/zinc/34/42/83/275344283.db2.gz XZPGMFQGFWFJAZ-WPRPVWTQSA-N 0 0 331.294 3.069 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279961620 275382635 /nfs/dbraw/zinc/38/26/35/275382635.db2.gz JOVLRZDHSFZFAA-JKGDOXCYSA-N 0 0 332.400 3.416 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H](C)C(=O)OC(C)(C)C)no1 ZINC000280748212 275490907 /nfs/dbraw/zinc/49/09/07/275490907.db2.gz DPQSLOUTXAJPNO-JTQLQIEISA-N 0 0 333.344 3.398 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000282000094 275595184 /nfs/dbraw/zinc/59/51/84/275595184.db2.gz QINQQFPTWMIRHX-MRXNPFEDSA-N 0 0 343.387 3.396 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC=C(c2ccncc2)C1 ZINC000286279034 275974779 /nfs/dbraw/zinc/97/47/79/275974779.db2.gz GERKJCXBEXEVTJ-UHFFFAOYSA-N 0 0 325.368 3.430 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000286956479 276062855 /nfs/dbraw/zinc/06/28/55/276062855.db2.gz MXVIIAQZOCTOON-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C2CC2)C1 ZINC000288152057 276186740 /nfs/dbraw/zinc/18/67/40/276186740.db2.gz GUAOLRHEPFWBDC-ZDUSSCGKSA-N 0 0 331.372 3.178 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nccc(C(F)F)n1 ZINC000288163282 276187508 /nfs/dbraw/zinc/18/75/08/276187508.db2.gz HUXUYPYIHPAAHW-UHFFFAOYSA-N 0 0 349.219 3.348 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000288517000 276222756 /nfs/dbraw/zinc/22/27/56/276222756.db2.gz UESQWOYZBZBUGW-YXVBKTCISA-N 0 0 328.290 3.455 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2c3ccccc3O[C@@H]2C)c1[N+](=O)[O-] ZINC000289120817 276293456 /nfs/dbraw/zinc/29/34/56/276293456.db2.gz QTPWACWIQNEURS-YGRLFVJLSA-N 0 0 343.339 3.019 10 5 EGBERN CC(C)c1scnc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000289680479 276377239 /nfs/dbraw/zinc/37/72/39/276377239.db2.gz FMVUGQNKVJZZGO-UHFFFAOYSA-N 0 0 331.357 3.211 10 5 EGBERN CCOc1cccc(N2CCC(C(=O)N(CC)CC)CC2)c1[N+](=O)[O-] ZINC000358255788 276498454 /nfs/dbraw/zinc/49/84/54/276498454.db2.gz MCXRTUPFUACDHC-UHFFFAOYSA-N 0 0 349.431 3.078 10 5 EGBERN CO[C@](C)(C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000291711714 276680266 /nfs/dbraw/zinc/68/02/66/276680266.db2.gz LFHLQJYOWOSCRE-ZDUSSCGKSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(C)C)N(C)C2=O)cc1[N+](=O)[O-] ZINC000292594484 276833053 /nfs/dbraw/zinc/83/30/53/276833053.db2.gz WGLXHWWCPLUJMG-DOMZBBRYSA-N 0 0 333.388 3.273 10 5 EGBERN COc1cc(/C=C(/C)[N+](=O)[O-])c2c(c1Br)CCCO2 ZINC000005282334 277366652 /nfs/dbraw/zinc/36/66/52/277366652.db2.gz NKKPESGNULRHQJ-VURMDHGXSA-N 0 0 328.162 3.420 10 5 EGBERN COc1cc2c(cc1F)CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000346210843 277850399 /nfs/dbraw/zinc/85/03/99/277850399.db2.gz NSNNPKUNDYAVOF-UHFFFAOYSA-N 0 0 337.738 3.354 10 5 EGBERN C[C@H]1CSC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342318859 278469954 /nfs/dbraw/zinc/46/99/54/278469954.db2.gz MUXBBNQUIXYOAE-IONNQARKSA-N 0 0 334.319 3.095 10 5 EGBERN Cc1c(Br)c(N[C@H]2CSC2(C)C)ncc1[N+](=O)[O-] ZINC000338426115 278582649 /nfs/dbraw/zinc/58/26/49/278582649.db2.gz ZORKCADETVLNTQ-QMMMGPOBSA-N 0 0 332.223 3.367 10 5 EGBERN Cc1cc(S(=O)(=O)NC2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000360430356 278739637 /nfs/dbraw/zinc/73/96/37/278739637.db2.gz PXZMOZXYEVTDAB-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-n2cccn2)cc1 ZINC000103377061 279012728 /nfs/dbraw/zinc/01/27/28/279012728.db2.gz OVTZUGMISVGDPO-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN O=C(c1cccc2nccnc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000347989020 280211889 /nfs/dbraw/zinc/21/18/89/280211889.db2.gz FOMPRVFNJPNUFM-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(-c2ccccn2)n1 ZINC000340994406 280300033 /nfs/dbraw/zinc/30/00/33/280300033.db2.gz SULGSQAJAGXUDK-ZDUSSCGKSA-N 0 0 335.367 3.350 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nn21 ZINC000347902254 280382624 /nfs/dbraw/zinc/38/26/24/280382624.db2.gz NXMCDDYFTUXENS-CYBMUJFWSA-N 0 0 327.319 3.118 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](n3cnc4ccccc43)C2)n1 ZINC000347407665 280399242 /nfs/dbraw/zinc/39/92/42/280399242.db2.gz AZYCPIYVLUONFP-CQSZACIVSA-N 0 0 337.383 3.408 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000355973416 281008545 /nfs/dbraw/zinc/00/85/45/281008545.db2.gz WDMZQQIBXWRJCI-OAHLLOKOSA-N 0 0 326.352 3.465 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](c2ccco2)C1 ZINC000184468295 290560631 /nfs/dbraw/zinc/56/06/31/290560631.db2.gz BHFVIBFCNIXQIL-XHDPSFHLSA-N 0 0 329.356 3.383 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000187504180 294072262 /nfs/dbraw/zinc/07/22/62/294072262.db2.gz XHFRUIDOORVSNX-WCQYABFASA-N 0 0 326.418 3.288 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000367928207 297076945 /nfs/dbraw/zinc/07/69/45/297076945.db2.gz RLPLUWBZIJUAKC-HSMVNMDESA-N 0 0 340.807 3.411 10 5 EGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173562921 294384456 /nfs/dbraw/zinc/38/44/56/294384456.db2.gz PYEGGMPLLHFHAC-INIZCTEOSA-N 0 0 331.347 3.440 10 5 EGBERN COc1cc(N2CCOc3cccc(F)c3C2)c([N+](=O)[O-])cc1F ZINC000337823519 294995167 /nfs/dbraw/zinc/99/51/67/294995167.db2.gz RYBLWHSBLUOIGP-UHFFFAOYSA-N 0 0 336.294 3.281 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000367165730 295356096 /nfs/dbraw/zinc/35/60/96/295356096.db2.gz POZUQBOECFLKFD-SFHVURJKSA-N 0 0 325.368 3.203 10 5 EGBERN COc1ccccc1CCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172980208 295359436 /nfs/dbraw/zinc/35/94/36/295359436.db2.gz HFCSPKIXVIZNBG-UHFFFAOYSA-N 0 0 328.368 3.227 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)c1C ZINC000360201963 301859247 /nfs/dbraw/zinc/85/92/47/301859247.db2.gz HMEJYQXGBROAJX-JQWIXIFHSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000068195399 301863707 /nfs/dbraw/zinc/86/37/07/301863707.db2.gz OSXSUBWVVPPWTE-LBPRGKRZSA-N 0 0 342.355 3.052 10 5 EGBERN Cc1csc([C@H]2COCCN2c2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000189137927 302452288 /nfs/dbraw/zinc/45/22/88/302452288.db2.gz PUKRSWHIJRPQFC-GFCCVEGCSA-N 0 0 341.339 3.216 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054618349 307338531 /nfs/dbraw/zinc/33/85/31/307338531.db2.gz BSXKCFJWKQTJQL-GFCCVEGCSA-N 0 0 331.347 3.164 10 5 EGBERN C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327540 307361855 /nfs/dbraw/zinc/36/18/55/307361855.db2.gz DFWFMAWQFDIECP-JTQLQIEISA-N 0 0 338.410 3.186 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(F)c1 ZINC000068177755 307369019 /nfs/dbraw/zinc/36/90/19/307369019.db2.gz KVPVZFPPFNBPGH-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000071048668 307377800 /nfs/dbraw/zinc/37/78/00/307377800.db2.gz PYUVCVRRVXWFMP-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@@H](OCC)C(C)C)cc1[N+](=O)[O-] ZINC000074288235 307392440 /nfs/dbraw/zinc/39/24/40/307392440.db2.gz VZYSHQAMJVCIAH-OAHLLOKOSA-N 0 0 338.404 3.175 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000413908685 309052171 /nfs/dbraw/zinc/05/21/71/309052171.db2.gz CXCJWIUBLHYLQA-LBPRGKRZSA-N 0 0 348.399 3.238 10 5 EGBERN COC(=O)c1cc(NC[C@H](CCO)CC(C)C)cc(C)c1[N+](=O)[O-] ZINC000130995984 307637056 /nfs/dbraw/zinc/63/70/56/307637056.db2.gz UZFVIGQUTCDVHW-CYBMUJFWSA-N 0 0 338.404 3.146 10 5 EGBERN C[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153380315 307771987 /nfs/dbraw/zinc/77/19/87/307771987.db2.gz ASCRABAUMADVBH-ZDUSSCGKSA-N 0 0 346.408 3.044 10 5 EGBERN COc1cccc2c1CC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000153624421 307777324 /nfs/dbraw/zinc/77/73/24/307777324.db2.gz CJRKGJDEVYVLKF-GFCCVEGCSA-N 0 0 332.381 3.391 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000153934488 307784468 /nfs/dbraw/zinc/78/44/68/307784468.db2.gz ZTUBIHIUDKNEOG-GFCCVEGCSA-N 0 0 337.759 3.375 10 5 EGBERN O=C(NCc1cc2ccccc2[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000156024304 307825740 /nfs/dbraw/zinc/82/57/40/307825740.db2.gz LQKHVDGDIMOZRT-UHFFFAOYSA-N 0 0 334.335 3.487 10 5 EGBERN COC[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000170749491 307935117 /nfs/dbraw/zinc/93/51/17/307935117.db2.gz VOSZWOJKDCSFOE-OAHLLOKOSA-N 0 0 329.356 3.412 10 5 EGBERN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000248383789 308001508 /nfs/dbraw/zinc/00/15/08/308001508.db2.gz BLHFECSMEZAGDN-GMXABZIVSA-N 0 0 328.372 3.122 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(c2cccc(O)c2)CC1 ZINC000255292953 308045338 /nfs/dbraw/zinc/04/53/38/308045338.db2.gz HFYOFFIZUCUWPD-XQRVVYSFSA-N 0 0 339.395 3.136 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCSCC1 ZINC000293119494 308100890 /nfs/dbraw/zinc/10/08/90/308100890.db2.gz PBYUYGBQXNCLAQ-UHFFFAOYSA-N 0 0 334.319 3.193 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414473298 309082668 /nfs/dbraw/zinc/08/26/68/309082668.db2.gz QCPUQNAVAOTXFQ-PWSUYJOCSA-N 0 0 338.410 3.260 10 5 EGBERN O=C(C[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000294825436 308261458 /nfs/dbraw/zinc/26/14/58/308261458.db2.gz ADCGCJSEDCSNMH-NSHDSACASA-N 0 0 340.339 3.306 10 5 EGBERN C[C@H]1[C@@H](O)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000294877440 308267014 /nfs/dbraw/zinc/26/70/14/308267014.db2.gz BPFIHUTYRGHZNP-UGSOOPFHSA-N 0 0 340.379 3.175 10 5 EGBERN CC(=O)c1ccc(N2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000294966147 308276820 /nfs/dbraw/zinc/27/68/20/308276820.db2.gz NYCUZAPEJPYVPF-UHFFFAOYSA-N 0 0 332.400 3.319 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@](C)(F)C1 ZINC000295514223 308334762 /nfs/dbraw/zinc/33/47/62/308334762.db2.gz UHVHCDFYBZNVQJ-ZUZCIYMTSA-N 0 0 343.786 3.399 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296232619 308406613 /nfs/dbraw/zinc/40/66/13/308406613.db2.gz VYFMXEBYPFMOJL-ZYHUDNBSSA-N 0 0 330.306 3.327 10 5 EGBERN Cc1c(NC(=O)CSC2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000296954918 308484009 /nfs/dbraw/zinc/48/40/09/308484009.db2.gz HKGOCXOKIQOWNH-UHFFFAOYSA-N 0 0 345.218 3.500 10 5 EGBERN CCc1ccc([C@H](COC)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000297182714 308507694 /nfs/dbraw/zinc/50/76/94/308507694.db2.gz QCNPIISRMXQELO-AWEZNQCLSA-N 0 0 330.344 3.426 10 5 EGBERN C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000297344677 308524710 /nfs/dbraw/zinc/52/47/10/308524710.db2.gz BCRPPYCDLONUFP-SUMWQHHRSA-N 0 0 337.383 3.427 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CC(F)(F)F ZINC000297776539 308562622 /nfs/dbraw/zinc/56/26/22/308562622.db2.gz NFARBZFKBLOVNQ-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000298092791 308584194 /nfs/dbraw/zinc/58/41/94/308584194.db2.gz ZVZGZEVRCJBVDO-WFASDCNBSA-N 0 0 329.356 3.287 10 5 EGBERN CCOc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1F ZINC000301157447 308690117 /nfs/dbraw/zinc/69/01/17/308690117.db2.gz DLCUWQCIRCYNEI-UHFFFAOYSA-N 0 0 336.348 3.454 10 5 EGBERN Cc1cc(=NO[C@H]2CCCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000301263321 308694048 /nfs/dbraw/zinc/69/40/48/308694048.db2.gz VMJYZXVEWQCJAK-HNNXBMFYSA-N 0 0 330.344 3.230 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301347309 308697331 /nfs/dbraw/zinc/69/73/31/308697331.db2.gz KDIMGEMPQZVQIE-CSMYWGQOSA-N 0 0 327.384 3.393 10 5 EGBERN CCc1cnc(CN(C)c2cc(OC)cc(F)c2[N+](=O)[O-])s1 ZINC000301484139 308702165 /nfs/dbraw/zinc/70/21/65/308702165.db2.gz VCPXWBYUMSUYKN-UHFFFAOYSA-N 0 0 325.365 3.398 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(Sc2nnnn2Cc2ccccc2)c1 ZINC000301573411 308705756 /nfs/dbraw/zinc/70/57/56/308705756.db2.gz PHIYDQXUMHDHRE-UHFFFAOYSA-N 0 0 327.369 3.089 10 5 EGBERN COc1cc(NCCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1F ZINC000301666056 308709863 /nfs/dbraw/zinc/70/98/63/308709863.db2.gz MAVXOXIZPRHRRK-UHFFFAOYSA-N 0 0 325.365 3.470 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000301691605 308711001 /nfs/dbraw/zinc/71/10/01/308711001.db2.gz WTRAVEQOKZMYDW-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000301720543 308712389 /nfs/dbraw/zinc/71/23/89/308712389.db2.gz MJIBSYYCOOMCRK-ZUZCIYMTSA-N 0 0 342.392 3.209 10 5 EGBERN Cc1ccc(N(C)Cc2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000301759664 308714227 /nfs/dbraw/zinc/71/42/27/308714227.db2.gz AVKFBWDZRYDPIC-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301991285 308724428 /nfs/dbraw/zinc/72/44/28/308724428.db2.gz MPFWFVMHOPXARZ-UONOGXRCSA-N 0 0 337.383 3.328 10 5 EGBERN CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1F ZINC000301997775 308724595 /nfs/dbraw/zinc/72/45/95/308724595.db2.gz PDIKCMZLUIOGPW-UHFFFAOYSA-N 0 0 329.335 3.166 10 5 EGBERN CCCCO[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C ZINC000302005079 308724823 /nfs/dbraw/zinc/72/48/23/308724823.db2.gz SHXHSKXIWIELHH-NEPJUHHUSA-N 0 0 333.392 3.033 10 5 EGBERN CN(CC(=O)NC(C)(C)C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302045722 308726800 /nfs/dbraw/zinc/72/68/00/308726800.db2.gz UMVTUXCMUSHKHD-UHFFFAOYSA-N 0 0 334.203 3.253 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000302135481 308730322 /nfs/dbraw/zinc/73/03/22/308730322.db2.gz DNEFNZZIELVFPH-OAHLLOKOSA-N 0 0 331.372 3.304 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000302478773 308737758 /nfs/dbraw/zinc/73/77/58/308737758.db2.gz XEIOCSCBCKGYBM-SNVBAGLBSA-N 0 0 330.344 3.293 10 5 EGBERN CC(=O)c1ccc(N2CCn3c(C(C)C)nnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302600013 308740405 /nfs/dbraw/zinc/74/04/05/308740405.db2.gz YEBNOYZZGZSWNP-NSHDSACASA-N 0 0 343.387 3.094 10 5 EGBERN Cc1cccc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[N+](=O)[O-] ZINC000302687907 308741952 /nfs/dbraw/zinc/74/19/52/308741952.db2.gz BPOCVBBYSIMOHR-INIZCTEOSA-N 0 0 343.358 3.255 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000303744543 308754987 /nfs/dbraw/zinc/75/49/87/308754987.db2.gz ACPIKCHNRFNMEX-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN CC(C)C[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331137635 308802436 /nfs/dbraw/zinc/80/24/36/308802436.db2.gz QIDWUMZUNJXIED-LLVKDONJSA-N 0 0 326.343 3.453 10 5 EGBERN COc1cccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000411110241 308927162 /nfs/dbraw/zinc/92/71/62/308927162.db2.gz HONMVZRBOPXLMX-GFCCVEGCSA-N 0 0 346.358 3.446 10 5 EGBERN CCNc1ccc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000411123606 308927712 /nfs/dbraw/zinc/92/77/12/308927712.db2.gz SNPMMRSWVOKWMP-UHFFFAOYSA-N 0 0 343.305 3.194 10 5 EGBERN CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412273263 308978340 /nfs/dbraw/zinc/97/83/40/308978340.db2.gz GLFALMJSOZATSZ-AVGNSLFASA-N 0 0 336.388 3.020 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000413291458 309025423 /nfs/dbraw/zinc/02/54/23/309025423.db2.gz MANKNXXMJNFNNH-CYBMUJFWSA-N 0 0 331.294 3.016 10 5 EGBERN COC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413322538 309026719 /nfs/dbraw/zinc/02/67/19/309026719.db2.gz RJHWOOLCJDMNBS-JTQLQIEISA-N 0 0 333.310 3.262 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCc2ccccc23)cn1 ZINC000413339323 309027555 /nfs/dbraw/zinc/02/75/55/309027555.db2.gz UYIPSMOVWHKXMN-UHFFFAOYSA-N 0 0 325.368 3.058 10 5 EGBERN COc1cc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000413443275 309032269 /nfs/dbraw/zinc/03/22/69/309032269.db2.gz DTLUSVDQZBDNAA-BLLLJJGKSA-N 0 0 338.379 3.120 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CS3)nc1-c1ccc(F)cc1 ZINC000413444660 309032324 /nfs/dbraw/zinc/03/23/24/309032324.db2.gz CNSFTLBKRBUURN-STQMWFEESA-N 0 0 331.372 3.490 10 5 EGBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000413475935 309033645 /nfs/dbraw/zinc/03/36/45/309033645.db2.gz DFWCJGQKYIZRDX-KBXCAEBGSA-N 0 0 326.327 3.369 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CCCC1 ZINC000415231890 309127674 /nfs/dbraw/zinc/12/76/74/309127674.db2.gz SCFSGAWXMGRRAA-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000416023638 309155075 /nfs/dbraw/zinc/15/50/75/309155075.db2.gz ZUBKLDFYEWBMOU-LSDHHAIUSA-N 0 0 342.399 3.127 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccco2)c(C)cc1[N+](=O)[O-] ZINC000416383847 309170541 /nfs/dbraw/zinc/17/05/41/309170541.db2.gz MPJUQOGGXHNUOE-LBPRGKRZSA-N 0 0 338.385 3.186 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c(C)cc1[N+](=O)[O-] ZINC000416523341 309172826 /nfs/dbraw/zinc/17/28/26/309172826.db2.gz KIBOUTMZDBVJQL-LLVKDONJSA-N 0 0 348.371 3.020 10 5 EGBERN CC(C)(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416641363 309175609 /nfs/dbraw/zinc/17/56/09/309175609.db2.gz ZBHFWCRXEMCFPX-CABCVRRESA-N 0 0 340.445 3.229 10 5 EGBERN CC(C)=CCSC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417621026 309214412 /nfs/dbraw/zinc/21/44/12/309214412.db2.gz DTQVSVDYYYQEPK-CQSZACIVSA-N 0 0 338.429 3.145 10 5 EGBERN CC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000420615839 309290204 /nfs/dbraw/zinc/29/02/04/309290204.db2.gz FPVRJKNUUSLBSX-SCZZXKLOSA-N 0 0 330.182 3.122 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](O)CC12CCC2 ZINC000420989109 309306335 /nfs/dbraw/zinc/30/63/35/309306335.db2.gz BUUVPVBBHPBYTK-INIZCTEOSA-N 0 0 334.416 3.261 10 5 EGBERN CC(C)(C)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nc1 ZINC000421250949 309317468 /nfs/dbraw/zinc/31/74/68/309317468.db2.gz LPKUUYCRENCUQX-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C(C)(C)C)cn3)n2)n1C ZINC000421272157 309317887 /nfs/dbraw/zinc/31/78/87/309317887.db2.gz XHWQJWAHBFLLBI-UHFFFAOYSA-N 0 0 342.359 3.046 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000421521289 309328243 /nfs/dbraw/zinc/32/82/43/309328243.db2.gz RBORFZMHGKWTDX-AWEZNQCLSA-N 0 0 332.400 3.243 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000421523649 309328264 /nfs/dbraw/zinc/32/82/64/309328264.db2.gz KCVSUIIBXUXJIL-UHFFFAOYSA-N 0 0 342.399 3.453 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000421524772 309328385 /nfs/dbraw/zinc/32/83/85/309328385.db2.gz LTGNFXOOQJLBNV-CABCVRRESA-N 0 0 332.400 3.100 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@H](C)c2ccsc2)n1 ZINC000421695016 309335097 /nfs/dbraw/zinc/33/50/97/309335097.db2.gz WNRQNCLLWOXEJO-LLVKDONJSA-N 0 0 336.417 3.485 10 5 EGBERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]1 ZINC000421794092 309340368 /nfs/dbraw/zinc/34/03/68/309340368.db2.gz ZTCHDWZLNYBVCD-CQSZACIVSA-N 0 0 343.387 3.006 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000421794690 309340440 /nfs/dbraw/zinc/34/04/40/309340440.db2.gz CZGGUHNPNWKQGT-GOEBONIOSA-N 0 0 334.416 3.081 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000422238827 309358894 /nfs/dbraw/zinc/35/88/94/309358894.db2.gz MAYBHHYKZPWNNK-PBHICJAKSA-N 0 0 347.415 3.226 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425078401 309465372 /nfs/dbraw/zinc/46/53/72/309465372.db2.gz WEQIVAZCEUHWKA-UHFFFAOYSA-N 0 0 347.321 3.384 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)n1 ZINC000427388373 309528148 /nfs/dbraw/zinc/52/81/48/309528148.db2.gz AMTXHUQKNGUTQE-HNNXBMFYSA-N 0 0 346.362 3.140 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)n1 ZINC000427400302 309528460 /nfs/dbraw/zinc/52/84/60/309528460.db2.gz UCTOBDRWDPXZDH-MNOVXSKESA-N 0 0 346.362 3.098 10 5 EGBERN Cc1nc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000430483511 309608849 /nfs/dbraw/zinc/60/88/49/309608849.db2.gz LGKVGXIMMQKSPP-UHFFFAOYSA-N 0 0 340.383 3.487 10 5 EGBERN Cc1cc(OCC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430813040 309618349 /nfs/dbraw/zinc/61/83/49/309618349.db2.gz HFORDHAWCAOLMN-PWSUYJOCSA-N 0 0 346.305 3.081 10 5 EGBERN O=[N+]([O-])c1cccc2c(NCC3(CO)CC4(CCC4)C3)ccnc21 ZINC000432177826 309654256 /nfs/dbraw/zinc/65/42/56/309654256.db2.gz QOXJUKUFWOJVJN-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN COc1ccc(COc2cc3cnccc3nc2C)cc1[N+](=O)[O-] ZINC000432315464 309657063 /nfs/dbraw/zinc/65/70/63/309657063.db2.gz ZFVIFYNTTOPLIF-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@H]1C ZINC000432432910 309661002 /nfs/dbraw/zinc/66/10/02/309661002.db2.gz UHRRSUTYMRWKCI-RISCZKNCSA-N 0 0 338.429 3.252 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000432432908 309661007 /nfs/dbraw/zinc/66/10/07/309661007.db2.gz UHRRSUTYMRWKCI-BXUZGUMPSA-N 0 0 338.429 3.252 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nc1 ZINC000435616752 309736455 /nfs/dbraw/zinc/73/64/55/309736455.db2.gz MZKWIWREVSMAEG-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN COc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000435868329 309741959 /nfs/dbraw/zinc/74/19/59/309741959.db2.gz DJHHTAYPUXMDGZ-BDJLRTHQSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccc(CSc2nc(C3CC3)cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000436243926 309750486 /nfs/dbraw/zinc/75/04/86/309750486.db2.gz WNUBXBMTDFWRFB-UHFFFAOYSA-N 0 0 333.369 3.269 10 5 EGBERN COc1ccc(NC(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000455092829 310344180 /nfs/dbraw/zinc/34/41/80/310344180.db2.gz BDFAEKLXMIBIIS-CQSZACIVSA-N 0 0 349.387 3.026 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455097115 310344468 /nfs/dbraw/zinc/34/44/68/310344468.db2.gz RWBQBJZXFXSFHC-FZMZJTMJSA-N 0 0 349.412 3.059 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1[N+](=O)[O-] ZINC000436771329 309773336 /nfs/dbraw/zinc/77/33/36/309773336.db2.gz ZPYFBQHBQNFIHV-UHFFFAOYSA-N 0 0 327.296 3.416 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437040555 309786051 /nfs/dbraw/zinc/78/60/51/309786051.db2.gz JMIIXVRYEBZFNI-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000438146003 309808016 /nfs/dbraw/zinc/80/80/16/309808016.db2.gz NYDJHSDSDUAGPV-JMERFSKESA-N 0 0 340.379 3.207 10 5 EGBERN CCOC(=O)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000438890468 309821911 /nfs/dbraw/zinc/82/19/11/309821911.db2.gz OGCOHPPPUXFZOQ-UHFFFAOYSA-N 0 0 343.335 3.342 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445662317 309945142 /nfs/dbraw/zinc/94/51/42/309945142.db2.gz AAELHGODEKSDFK-MELADBBJSA-N 0 0 342.399 3.362 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCOc4cc(F)ccc43)nc2c1 ZINC000447673765 309985578 /nfs/dbraw/zinc/98/55/78/309985578.db2.gz ZVSWZVKTVYWRDK-ZDUSSCGKSA-N 0 0 342.330 3.358 10 5 EGBERN CO[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000447675589 309985579 /nfs/dbraw/zinc/98/55/79/309985579.db2.gz NFKOMSWQZSMJJC-OAHLLOKOSA-N 0 0 346.774 3.346 10 5 EGBERN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000448398046 310003652 /nfs/dbraw/zinc/00/36/52/310003652.db2.gz ZEIOQQYJBJARTG-BBBLOLIVSA-N 0 0 346.305 3.252 10 5 EGBERN CSCCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449896091 310092897 /nfs/dbraw/zinc/09/28/97/310092897.db2.gz IBUTYMRJMZVGIK-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)Oc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000450051166 310100819 /nfs/dbraw/zinc/10/08/19/310100819.db2.gz HZNUIDAZJXEYRQ-WFASDCNBSA-N 0 0 329.356 3.025 10 5 EGBERN CC[C@H](NC(=O)[C@H](Cc1ccccc1)OC)c1cccc([N+](=O)[O-])c1 ZINC000450052192 310100822 /nfs/dbraw/zinc/10/08/22/310100822.db2.gz KROOPNUNJMWECE-ROUUACIJSA-N 0 0 342.395 3.420 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000450410124 310120706 /nfs/dbraw/zinc/12/07/06/310120706.db2.gz XCAHMULCKZPZQS-DFBGVHRSSA-N 0 0 328.372 3.231 10 5 EGBERN Cc1cccc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450659031 310135633 /nfs/dbraw/zinc/13/56/33/310135633.db2.gz PDZZAQITWUCNKT-QAPCUYQASA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(OC)c(C[C@H](C)Nc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000450706828 310138446 /nfs/dbraw/zinc/13/84/46/310138446.db2.gz GPPAZGZUEQUKIG-NSHDSACASA-N 0 0 347.371 3.059 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCCCCC2)s1 ZINC000450728784 310139611 /nfs/dbraw/zinc/13/96/11/310139611.db2.gz MOJQKKPDHKFLBG-UHFFFAOYSA-N 0 0 332.447 3.442 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CF)CCOCC2)c(OC(F)F)c1 ZINC000450732137 310139869 /nfs/dbraw/zinc/13/98/69/310139869.db2.gz DSIDNOKYHBEZPS-UHFFFAOYSA-N 0 0 334.294 3.374 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)c(Br)c1 ZINC000450796763 310143052 /nfs/dbraw/zinc/14/30/52/310143052.db2.gz PRAXMTLDZAQUBZ-AAEUAGOBSA-N 0 0 338.205 3.377 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3nnc(C4CC4)s3)c2)cc1 ZINC000450819634 310144053 /nfs/dbraw/zinc/14/40/53/310144053.db2.gz GIKAIRAARZECEV-UHFFFAOYSA-N 0 0 327.369 3.236 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC2(C3(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000450886992 310147832 /nfs/dbraw/zinc/14/78/32/310147832.db2.gz XJSLSYYOJYBZHJ-UHFFFAOYSA-N 0 0 340.383 3.304 10 5 EGBERN O=C(c1cc(NC[C@@H]2C[C@H]2C2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000450917800 310149675 /nfs/dbraw/zinc/14/96/75/310149675.db2.gz FROVQUNIKGXLRP-ZFWWWQNUSA-N 0 0 329.400 3.289 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000451590523 310188054 /nfs/dbraw/zinc/18/80/54/310188054.db2.gz YMDJMGOUCYXKQQ-JTQLQIEISA-N 0 0 340.426 3.313 10 5 EGBERN CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451718000 310194525 /nfs/dbraw/zinc/19/45/25/310194525.db2.gz DBCRXRVOORQDKL-ZDUSSCGKSA-N 0 0 332.447 3.246 10 5 EGBERN CC(C)=CCC[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451743255 310195502 /nfs/dbraw/zinc/19/55/02/310195502.db2.gz SXHDNAGYHHKHPM-CYBMUJFWSA-N 0 0 326.418 3.149 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872365 310201371 /nfs/dbraw/zinc/20/13/71/310201371.db2.gz MGONQYKATXLMHH-QWHCGFSZSA-N 0 0 345.365 3.472 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)ccc1[N+](=O)[O-] ZINC000452185799 310217452 /nfs/dbraw/zinc/21/74/52/310217452.db2.gz BTZFIOHZYDCOHM-ZDUSSCGKSA-N 0 0 335.310 3.019 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CCCC3)c1[N+](=O)[O-] ZINC000452442021 310227771 /nfs/dbraw/zinc/22/77/71/310227771.db2.gz UXARGUFTQBXIIZ-UHFFFAOYSA-N 0 0 328.372 3.402 10 5 EGBERN C[C@@]12CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452606260 310234352 /nfs/dbraw/zinc/23/43/52/310234352.db2.gz YDKQUUHXXGYSTG-QZNHQWIBSA-N 0 0 341.411 3.067 10 5 EGBERN CCc1ccc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000452606861 310234462 /nfs/dbraw/zinc/23/44/62/310234462.db2.gz QWYZYDOXFUQJLQ-DEWZPKMOSA-N 0 0 326.396 3.441 10 5 EGBERN CCc1ccc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452810282 310242897 /nfs/dbraw/zinc/24/28/97/310242897.db2.gz DCCHOCHFHQKSLI-DYVFJYSZSA-N 0 0 334.416 3.338 10 5 EGBERN CO[C@](C)(c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000453242776 310266353 /nfs/dbraw/zinc/26/63/53/310266353.db2.gz WXDHNIBNJSTLQC-KRWDZBQOSA-N 0 0 344.371 3.275 10 5 EGBERN CC[C@@H](C)OCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453245177 310266500 /nfs/dbraw/zinc/26/65/00/310266500.db2.gz ZZCWISULXMRCDN-SNVBAGLBSA-N 0 0 332.360 3.318 10 5 EGBERN Cc1cc(-c2noc([C@H]3CCCc4n[nH]cc43)n2)cc([N+](=O)[O-])c1 ZINC000453280566 310268963 /nfs/dbraw/zinc/26/89/63/310268963.db2.gz CEOYZNTYWPQFDZ-LBPRGKRZSA-N 0 0 325.328 3.145 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC(C(C)(C)C)C1 ZINC000454304940 310302464 /nfs/dbraw/zinc/30/24/64/310302464.db2.gz RPWOPUOHZICPPN-UHFFFAOYSA-N 0 0 335.404 3.227 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000454763325 310328186 /nfs/dbraw/zinc/32/81/86/310328186.db2.gz OOKWMMLJZAWFRQ-NSHDSACASA-N 0 0 332.360 3.096 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000456082819 310387762 /nfs/dbraw/zinc/38/77/62/310387762.db2.gz NHVYIJADMGNXRE-BZIRYSOJSA-N 0 0 342.395 3.278 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456102322 310388560 /nfs/dbraw/zinc/38/85/60/310388560.db2.gz LFNKBLCSEBAEPF-FMKPAKJESA-N 0 0 332.400 3.059 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000456103041 310388657 /nfs/dbraw/zinc/38/86/57/310388657.db2.gz AUYPFOKLJKNNLK-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000456114919 310389127 /nfs/dbraw/zinc/38/91/27/310389127.db2.gz QXVVZQOBPULYTQ-YSVLISHTSA-N 0 0 332.400 3.059 10 5 EGBERN CCCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCCC[C@H]1OC ZINC000456204080 310393336 /nfs/dbraw/zinc/39/33/36/310393336.db2.gz ZPGGPVXYHKESLY-IAGOWNOFSA-N 0 0 349.431 3.498 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1SC ZINC000456884764 310427439 /nfs/dbraw/zinc/42/74/39/310427439.db2.gz SFONFNGVVDYPGK-QWRGUYRKSA-N 0 0 336.413 3.101 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCC(C(F)F)CC1 ZINC000457927940 310478518 /nfs/dbraw/zinc/47/85/18/310478518.db2.gz BARSCIIUSRYTKK-UHFFFAOYSA-N 0 0 341.358 3.260 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000462625786 310602914 /nfs/dbraw/zinc/60/29/14/310602914.db2.gz XYYHCDCNEHAIBW-GDBMZVCRSA-N 0 0 336.432 3.435 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463887485 310616134 /nfs/dbraw/zinc/61/61/34/310616134.db2.gz OGDYBYAOSSSRSP-GJZGRUSLSA-N 0 0 333.432 3.362 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473389206 310774251 /nfs/dbraw/zinc/77/42/51/310774251.db2.gz MFWFXWKXELGRQY-SCZZXKLOSA-N 0 0 341.289 3.489 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000478960881 310867229 /nfs/dbraw/zinc/86/72/29/310867229.db2.gz VEUPUEDGBXHFSX-QGZVFWFLSA-N 0 0 339.395 3.260 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481063681 310905265 /nfs/dbraw/zinc/90/52/65/310905265.db2.gz XSOOGIYQYFFMRX-UMSPYCQHSA-N 0 0 346.774 3.100 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000486433907 310992598 /nfs/dbraw/zinc/99/25/98/310992598.db2.gz WREHETUIAOAECC-INIZCTEOSA-N 0 0 336.432 3.221 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC[C@@H](C(C)C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486873368 311000936 /nfs/dbraw/zinc/00/09/36/311000936.db2.gz RUELNGKMZXGCJH-GFCCVEGCSA-N 0 0 349.387 3.200 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCc3ccc(F)c(F)c3C2)c(Cl)c1 ZINC000486908373 311001569 /nfs/dbraw/zinc/00/15/69/311001569.db2.gz DJMGPLBYSAZHKL-UHFFFAOYSA-N 0 0 325.702 3.484 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000487215390 311016383 /nfs/dbraw/zinc/01/63/83/311016383.db2.gz BOUXYRYFRKJYCH-GFCCVEGCSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000487720651 311035235 /nfs/dbraw/zinc/03/52/35/311035235.db2.gz NMPXWCLUTINYQS-ZWKOTPCHSA-N 0 0 327.384 3.182 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCOc1ncccc1Cl ZINC000487748934 311036542 /nfs/dbraw/zinc/03/65/42/311036542.db2.gz BLQAXTXIONLWRV-UHFFFAOYSA-N 0 0 344.758 3.104 10 5 EGBERN CC[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000487871574 311040643 /nfs/dbraw/zinc/04/06/43/311040643.db2.gz ANDQBAHJMNKJQW-CQSZACIVSA-N 0 0 326.356 3.143 10 5 EGBERN CC(=O)N1CCc2cc(Nc3c4ccccc4ncc3[N+](=O)[O-])ccc21 ZINC000487912419 311042458 /nfs/dbraw/zinc/04/24/58/311042458.db2.gz NFIUVTAEVIYAGI-UHFFFAOYSA-N 0 0 348.362 3.218 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H](CSC)C2)cc(C)c1[N+](=O)[O-] ZINC000488927946 311085188 /nfs/dbraw/zinc/08/51/88/311085188.db2.gz YYNZNFXLJMFNOL-LBPRGKRZSA-N 0 0 338.429 3.269 10 5 EGBERN CCOc1cc(N[C@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489915332 311125035 /nfs/dbraw/zinc/12/50/35/311125035.db2.gz NZVRELSIIPPREC-INIZCTEOSA-N 0 0 339.355 3.313 10 5 EGBERN COc1cc(C(=O)N2CCc3c2c(F)ccc3F)cc([N+](=O)[O-])c1C ZINC000498919139 311895690 /nfs/dbraw/zinc/89/56/90/311895690.db2.gz SSUNHNQLRHUCKK-UHFFFAOYSA-N 0 0 348.305 3.393 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC(C)(C)C1 ZINC000508561608 312096852 /nfs/dbraw/zinc/09/68/52/312096852.db2.gz IUFZZAIIUIIKAK-LBPRGKRZSA-N 0 0 329.404 3.263 10 5 EGBERN Cc1cc2c(cc1C)N(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000510448993 312140995 /nfs/dbraw/zinc/14/09/95/312140995.db2.gz BPOXQXXLFGTLRC-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000516218072 312315302 /nfs/dbraw/zinc/31/53/02/312315302.db2.gz ZMHQXYCPBRUPAB-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN CO[C@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(F)(F)F ZINC000516565697 312330207 /nfs/dbraw/zinc/33/02/07/312330207.db2.gz JNHSMAUXFPNAKT-GFCCVEGCSA-N 0 0 333.310 3.248 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000522048847 312571997 /nfs/dbraw/zinc/57/19/97/312571997.db2.gz CYVCFVHPNAIFOX-LRDDRELGSA-N 0 0 346.408 3.115 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000524659575 312670197 /nfs/dbraw/zinc/67/01/97/312670197.db2.gz WQYHEWMFMBKNIB-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN Cc1ccccc1C[C@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000525968733 312775569 /nfs/dbraw/zinc/77/55/69/312775569.db2.gz LEWBAOLPZXLQMV-OAHLLOKOSA-N 0 0 337.379 3.467 10 5 EGBERN CCc1cccc(F)c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525977015 312776589 /nfs/dbraw/zinc/77/65/89/312776589.db2.gz YYEOUTFRTVEFDW-UHFFFAOYSA-N 0 0 344.390 3.014 10 5 EGBERN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531923775 313731766 /nfs/dbraw/zinc/73/17/66/313731766.db2.gz LNEMLBQYOFJRQD-UHFFFAOYSA-N 0 0 329.360 3.023 10 5 EGBERN Cc1nc(C(C)C)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534010760 313947807 /nfs/dbraw/zinc/94/78/07/313947807.db2.gz ZDQNDPRQWJHJLL-UHFFFAOYSA-N 0 0 345.384 3.034 10 5 EGBERN COc1cc2[nH]c(=NCc3cccc([N+](=O)[O-])c3)sc2cc1OC ZINC000539709681 314330783 /nfs/dbraw/zinc/33/07/83/314330783.db2.gz YUWBXFVFCAUXQY-UHFFFAOYSA-N 0 0 345.380 3.256 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2C2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000540709758 314398719 /nfs/dbraw/zinc/39/87/19/314398719.db2.gz SHAIJSJHEKOVGM-MRXNPFEDSA-N 0 0 348.399 3.085 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(COc3ccc(Cl)cc3)no2)nc1 ZINC000544819020 314719167 /nfs/dbraw/zinc/71/91/67/314719167.db2.gz JXTFDTIWYWNTAU-UHFFFAOYSA-N 0 0 332.703 3.272 10 5 EGBERN COc1c(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cnc2ccccc21 ZINC000547142498 314877152 /nfs/dbraw/zinc/87/71/52/314877152.db2.gz ZZHRIPLRIRXBEH-UHFFFAOYSA-N 0 0 349.306 3.264 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000548494889 315017294 /nfs/dbraw/zinc/01/72/94/315017294.db2.gz BEKZASIRCIWNNC-MWLCHTKSSA-N 0 0 345.321 3.440 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000552141922 315201943 /nfs/dbraw/zinc/20/19/43/315201943.db2.gz AVDFHBIAHOGACN-KRZKBDHCSA-N 0 0 346.412 3.478 10 5 EGBERN CCCC[C@@H]1CCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553369949 315260304 /nfs/dbraw/zinc/26/03/04/315260304.db2.gz HXUQKHJCXJUKLU-RISCZKNCSA-N 0 0 330.388 3.436 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000553384509 315261098 /nfs/dbraw/zinc/26/10/98/315261098.db2.gz XLLBCEKROFRVQJ-UHFFFAOYSA-N 0 0 343.339 3.153 10 5 EGBERN CC(C)[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nncn1C ZINC000553578870 315271332 /nfs/dbraw/zinc/27/13/32/315271332.db2.gz RQZOGCYJUHEONS-CQSZACIVSA-N 0 0 326.360 3.081 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(c3ccccc3F)CC2)n1 ZINC000553722810 315278208 /nfs/dbraw/zinc/27/82/08/315278208.db2.gz JQSROTOIOISGOA-UHFFFAOYSA-N 0 0 344.390 3.462 10 5 EGBERN O=C(CCCn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000050131409 454575430 /nfs/dbraw/zinc/57/54/30/454575430.db2.gz FTFXALDGEYFDJL-UHFFFAOYSA-N 0 0 338.161 3.217 10 5 EGBERN Cc1nc(COc2c(Cl)cncc2[N+](=O)[O-])nc2ccccc12 ZINC000556792084 315466497 /nfs/dbraw/zinc/46/64/97/315466497.db2.gz BNAUZUBPRQGQTD-UHFFFAOYSA-N 0 0 330.731 3.474 10 5 EGBERN Cc1cc(C(=O)N2CCC(F)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000556826257 315471338 /nfs/dbraw/zinc/47/13/38/315471338.db2.gz XXWVMQGVKFMBMT-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CCc1cc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)on1 ZINC000564318434 316135051 /nfs/dbraw/zinc/13/50/51/316135051.db2.gz YMCPORMWUPCMDJ-UHFFFAOYSA-N 0 0 343.261 3.094 10 5 EGBERN CC[C@@H]1C[C@@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564316076 316135660 /nfs/dbraw/zinc/13/56/60/316135660.db2.gz XMXBSIQIJFWNEY-TZMCWYRMSA-N 0 0 344.415 3.449 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000565895498 316384786 /nfs/dbraw/zinc/38/47/86/316384786.db2.gz UEDOFXBCVGTULQ-HOTGVXAUSA-N 0 0 332.400 3.436 10 5 EGBERN COc1ccccc1CCN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565985129 316397267 /nfs/dbraw/zinc/39/72/67/316397267.db2.gz JTWYLKBTWCRKRL-AWEZNQCLSA-N 0 0 342.395 3.408 10 5 EGBERN CC(C)C(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000566938291 316546849 /nfs/dbraw/zinc/54/68/49/316546849.db2.gz RQRXIQPARDKHKS-UHFFFAOYSA-N 0 0 328.359 3.460 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000569237072 316886358 /nfs/dbraw/zinc/88/63/58/316886358.db2.gz AKKZMNGEUBIOFI-GFCCVEGCSA-N 0 0 329.331 3.067 10 5 EGBERN Cc1ccc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000570181374 317019809 /nfs/dbraw/zinc/01/98/09/317019809.db2.gz AEIHZCYWVMYGAF-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN CC(C)(C)OCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571138814 317155236 /nfs/dbraw/zinc/15/52/36/317155236.db2.gz MEGOKYIOGHWDLT-OAHLLOKOSA-N 0 0 349.431 3.299 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571465548 317202977 /nfs/dbraw/zinc/20/29/77/317202977.db2.gz CNFQFDKLQFBSNX-GFCCVEGCSA-N 0 0 341.367 3.320 10 5 EGBERN COCC1(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000571674004 317232213 /nfs/dbraw/zinc/23/22/13/317232213.db2.gz LRMWOXZGLFULHJ-UHFFFAOYSA-N 0 0 349.431 3.332 10 5 EGBERN CCOC(=O)Cc1ccccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000572410889 317334805 /nfs/dbraw/zinc/33/48/05/317334805.db2.gz UBXKZTMETCKYSM-UHFFFAOYSA-N 0 0 328.368 3.355 10 5 EGBERN CC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCOCC1 ZINC000574487020 317603178 /nfs/dbraw/zinc/60/31/78/317603178.db2.gz YEVGDUCRHWGNNK-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000171205597 323224831 /nfs/dbraw/zinc/22/48/31/323224831.db2.gz OVVVISIAUILGGB-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN COC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000171318568 323229660 /nfs/dbraw/zinc/22/96/60/323229660.db2.gz IMRDRUFYBNIIMC-HNNXBMFYSA-N 0 0 346.408 3.434 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625442 323243249 /nfs/dbraw/zinc/24/32/49/323243249.db2.gz DSRRBQKNJYFTJO-PJODQICGSA-N 0 0 336.363 3.040 10 5 EGBERN C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000175974817 323324755 /nfs/dbraw/zinc/32/47/55/323324755.db2.gz ODAKFGFONKGBMU-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000181205780 323473435 /nfs/dbraw/zinc/47/34/35/323473435.db2.gz BPOYQCSCXVNYAC-SECBINFHSA-N 0 0 346.330 3.363 10 5 EGBERN Cc1ccc([C@H](C)NCc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000181763087 323502643 /nfs/dbraw/zinc/50/26/43/323502643.db2.gz DVDIYTMXXPSYLQ-LBPRGKRZSA-N 0 0 329.404 3.150 10 5 EGBERN COC(=O)c1cc(N(C)C[C@H](C)c2nccs2)cc(C)c1[N+](=O)[O-] ZINC000182354778 323545064 /nfs/dbraw/zinc/54/50/64/323545064.db2.gz IFMYCQGNWVQLKK-NSHDSACASA-N 0 0 349.412 3.386 10 5 EGBERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000182841028 323578015 /nfs/dbraw/zinc/57/80/15/323578015.db2.gz AVCBHDIJTNWFRJ-CYBMUJFWSA-N 0 0 338.371 3.360 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C)n1 ZINC000184700570 323671945 /nfs/dbraw/zinc/67/19/45/323671945.db2.gz OQZQEVHTBXCUHM-HNNXBMFYSA-N 0 0 327.384 3.183 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(C(F)(F)F)n1 ZINC000193102196 323831651 /nfs/dbraw/zinc/83/16/51/323831651.db2.gz SYUZMJJKCYYZTO-UHFFFAOYSA-N 0 0 345.302 3.342 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2cccs2)nn1C ZINC000193242534 323833957 /nfs/dbraw/zinc/83/39/57/323833957.db2.gz GNYORGOHMMUSGW-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000194489996 323859340 /nfs/dbraw/zinc/85/93/40/323859340.db2.gz TWBSTGTZVJVDPV-NSHDSACASA-N 0 0 331.294 3.079 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCCC[C@@H]3OC)n2)ccc1[N+](=O)[O-] ZINC000349678058 324032569 /nfs/dbraw/zinc/03/25/69/324032569.db2.gz LWPOAGZMZXTEGT-OCCSQVGLSA-N 0 0 347.371 3.250 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000350598105 324101554 /nfs/dbraw/zinc/10/15/54/324101554.db2.gz BDUGLXVDTWMKRC-ZWNOBZJWSA-N 0 0 342.355 3.190 10 5 EGBERN C[C@H]1CCn2ncc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C1 ZINC000351314104 324223925 /nfs/dbraw/zinc/22/39/25/324223925.db2.gz AXFGRSIBSQJINE-JTQLQIEISA-N 0 0 325.328 3.091 10 5 EGBERN COCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000282646348 456579173 /nfs/dbraw/zinc/57/91/73/456579173.db2.gz LTAYZMHEYZNFFM-UHFFFAOYSA-N 0 0 326.780 3.103 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000576406683 324608726 /nfs/dbraw/zinc/60/87/26/324608726.db2.gz IRBAODGUIITMRC-HIFRSBDPSA-N 0 0 349.406 3.405 10 5 EGBERN O=C([C@H]1CCCOCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000577975599 324897757 /nfs/dbraw/zinc/89/77/57/324897757.db2.gz KAMIDASZLQUNIQ-JKSUJKDBSA-N 0 0 332.400 3.118 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCC(F)(F)C1 ZINC000579279556 325088023 /nfs/dbraw/zinc/08/80/23/325088023.db2.gz OCZHMYCVADVXLH-VIFPVBQESA-N 0 0 348.296 3.357 10 5 EGBERN CC1CC[NH+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000580079158 325200221 /nfs/dbraw/zinc/20/02/21/325200221.db2.gz JZOOGRLOIXBSBK-UHFFFAOYSA-N 0 0 335.404 3.217 10 5 EGBERN CCOC(=O)[C@H](CC(C)C)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580627782 325275534 /nfs/dbraw/zinc/27/55/34/325275534.db2.gz WGUBICFWTAKIMT-KRWDZBQOSA-N 0 0 347.415 3.186 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1cscn1 ZINC000581081674 325328732 /nfs/dbraw/zinc/32/87/32/325328732.db2.gz CLGMXPMNLAIKLC-QWRGUYRKSA-N 0 0 334.401 3.119 10 5 EGBERN COc1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000581836807 325392161 /nfs/dbraw/zinc/39/21/61/325392161.db2.gz PEKXXOQWAKPALZ-UHFFFAOYSA-N 0 0 335.282 3.313 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](Oc2ncccc2F)C1 ZINC000583332578 325515050 /nfs/dbraw/zinc/51/50/50/325515050.db2.gz LWMCZGYCUSFWOV-LBPRGKRZSA-N 0 0 347.346 3.185 10 5 EGBERN Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(C2CC2)n1 ZINC000583833790 325555290 /nfs/dbraw/zinc/55/52/90/325555290.db2.gz DRHRIKMNOPTVOV-UHFFFAOYSA-N 0 0 337.383 3.128 10 5 EGBERN COc1ccc(CSCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000600648944 460557976 /nfs/dbraw/zinc/55/79/76/460557976.db2.gz QZTQTCQEVCBIHE-UHFFFAOYSA-N 0 0 327.402 3.032 10 5 EGBERN COc1ccccc1C1CCN(c2ccc(CO)cc2[N+](=O)[O-])CC1 ZINC000004336185 452800175 /nfs/dbraw/zinc/80/01/75/452800175.db2.gz YQJREQCYYPPYRV-UHFFFAOYSA-N 0 0 342.395 3.480 10 5 EGBERN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000005107743 452838091 /nfs/dbraw/zinc/83/80/91/452838091.db2.gz LVJBRSJRKPRUAM-GJZGRUSLSA-N 0 0 342.395 3.500 10 5 EGBERN CC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005701359 452895229 /nfs/dbraw/zinc/89/52/29/452895229.db2.gz SYSPRUJSHSUSMN-UHFFFAOYSA-N 0 0 327.340 3.156 10 5 EGBERN CC(C)(C)C1CC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600710443 460574504 /nfs/dbraw/zinc/57/45/04/460574504.db2.gz DZCSIBBBMNZBMZ-OOKWDQIISA-N 0 0 345.399 3.187 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000007305194 453057540 /nfs/dbraw/zinc/05/75/40/453057540.db2.gz MMHMYCNXQWHAMC-JTQLQIEISA-N 0 0 340.788 3.288 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000010977838 453307147 /nfs/dbraw/zinc/30/71/47/453307147.db2.gz IVIUJLQILNHWIR-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 ZINC000012901500 453422494 /nfs/dbraw/zinc/42/24/94/453422494.db2.gz QWSJXURXETYVCT-OAHLLOKOSA-N 0 0 329.356 3.349 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000600809988 460612423 /nfs/dbraw/zinc/61/24/23/460612423.db2.gz PMUVKCIECSLRKJ-NQHOJNORSA-N 0 0 332.400 3.351 10 5 EGBERN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000022052107 453686651 /nfs/dbraw/zinc/68/66/51/453686651.db2.gz STMQLGBOUPPKBC-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN COC(=O)c1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000030553149 453836543 /nfs/dbraw/zinc/83/65/43/453836543.db2.gz RVQWFVCPDPCBCN-UHFFFAOYSA-N 0 0 328.324 3.196 10 5 EGBERN Nc1nc(N2CCC[C@H]2[C@H]2CCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000075094127 453859631 /nfs/dbraw/zinc/85/96/31/453859631.db2.gz RSCBZQSDAFRKBX-GJZGRUSLSA-N 0 0 339.399 3.056 10 5 EGBERN O=[N+]([O-])c1cnc(N(Cc2ccccc2)CC(F)F)nc1NC1CC1 ZINC000075106772 453860927 /nfs/dbraw/zinc/86/09/27/453860927.db2.gz FVUXSKPMYFVLRD-UHFFFAOYSA-N 0 0 349.341 3.231 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(SC)s1 ZINC000032923316 453897316 /nfs/dbraw/zinc/89/73/16/453897316.db2.gz CNLFBTFIEJPWLF-UHFFFAOYSA-N 0 0 343.411 3.106 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000083012524 453932984 /nfs/dbraw/zinc/93/29/84/453932984.db2.gz AONZJWWCFAYLFU-UHFFFAOYSA-N 0 0 349.387 3.341 10 5 EGBERN Cn1cccc1-c1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000041342099 453963145 /nfs/dbraw/zinc/96/31/45/453963145.db2.gz QSVGAURTNKJWKD-UHFFFAOYSA-N 0 0 328.353 3.309 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000055124928 453965012 /nfs/dbraw/zinc/96/50/12/453965012.db2.gz WTTNVRFNDHZORT-UHFFFAOYSA-N 0 0 341.367 3.024 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000067869418 453974769 /nfs/dbraw/zinc/97/47/69/453974769.db2.gz ZFIHGPTVMSXWRB-MRXNPFEDSA-N 0 0 342.399 3.080 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000067873167 453975222 /nfs/dbraw/zinc/97/52/22/453975222.db2.gz RCYTZPMFXPCKJI-CVEARBPZSA-N 0 0 340.379 3.344 10 5 EGBERN C[C@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000067913163 453979902 /nfs/dbraw/zinc/97/99/02/453979902.db2.gz MMQFLUPXEVHQSO-RYUDHWBXSA-N 0 0 348.428 3.277 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000055462120 453986550 /nfs/dbraw/zinc/98/65/50/453986550.db2.gz HXRGRZDVPUDPQC-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000055466054 453987049 /nfs/dbraw/zinc/98/70/49/453987049.db2.gz PMWXBOJKXMNKLK-QLJPJBMISA-N 0 0 346.770 3.429 10 5 EGBERN Cc1cccc(CC2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000084434692 453989255 /nfs/dbraw/zinc/98/92/55/453989255.db2.gz UMDXPYPRNLTJAT-UHFFFAOYSA-N 0 0 339.395 3.287 10 5 EGBERN CSc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000616806129 460625233 /nfs/dbraw/zinc/62/52/33/460625233.db2.gz GJGCFNPPCQBHRN-UHFFFAOYSA-N 0 0 332.385 3.342 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Br ZINC000042162684 453998860 /nfs/dbraw/zinc/99/88/60/453998860.db2.gz NZNMAZFKOVNMJK-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN O=C(N[C@H]1CCc2c1cccc2F)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055692472 454006798 /nfs/dbraw/zinc/00/67/98/454006798.db2.gz QUJKNAOOBQOOGF-AWEZNQCLSA-N 0 0 340.314 3.028 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000055974692 454030308 /nfs/dbraw/zinc/03/03/08/454030308.db2.gz BSCBQDFGOHTJJC-SECBINFHSA-N 0 0 344.776 3.189 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000184582847 455407780 /nfs/dbraw/zinc/40/77/80/455407780.db2.gz QPCRLDLKZDFALM-UHFFFAOYSA-N 0 0 338.429 3.081 10 5 EGBERN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000077327047 454092341 /nfs/dbraw/zinc/09/23/41/454092341.db2.gz MJPRWOTWVJGUDK-GWCFXTLKSA-N 0 0 331.397 3.024 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000057150234 454106280 /nfs/dbraw/zinc/10/62/80/454106280.db2.gz POEOOTSKOSLSSL-UHFFFAOYSA-N 0 0 346.358 3.356 10 5 EGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)c(OC[C@H]2CCOC2)c1 ZINC000088743852 454118407 /nfs/dbraw/zinc/11/84/07/454118407.db2.gz DKPMQJCJWCOAST-AWEZNQCLSA-N 0 0 343.383 3.326 10 5 EGBERN Cc1ccc(CNc2ccncc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000088744098 454118600 /nfs/dbraw/zinc/11/86/00/454118600.db2.gz JRBIBDCCFQKYTO-CQSZACIVSA-N 0 0 343.383 3.326 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)o1 ZINC000057465326 454130699 /nfs/dbraw/zinc/13/06/99/454130699.db2.gz DRFHMOCEIYGYAL-JTQLQIEISA-N 0 0 333.300 3.204 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CC1 ZINC000089303368 454135127 /nfs/dbraw/zinc/13/51/27/454135127.db2.gz WLUROLJLQPAFOD-UHFFFAOYSA-N 0 0 328.343 3.124 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCCC[C@@H]1C(C)(C)C ZINC000069812129 454147553 /nfs/dbraw/zinc/14/75/53/454147553.db2.gz SDPGEIUIBXVQCA-CQSZACIVSA-N 0 0 336.436 3.307 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnc(CCSc3nncs3)o2)c1 ZINC000069817343 454149061 /nfs/dbraw/zinc/14/90/61/454149061.db2.gz UJWIDXAMYRTEFF-UHFFFAOYSA-N 0 0 334.382 3.436 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057926867 454156969 /nfs/dbraw/zinc/15/69/69/454156969.db2.gz OYQFCLHKZLBYRA-GFCCVEGCSA-N 0 0 326.418 3.184 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000070728342 454173036 /nfs/dbraw/zinc/17/30/36/454173036.db2.gz RLTWBGBKORTPOW-LLVKDONJSA-N 0 0 346.412 3.493 10 5 EGBERN Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1-c1ccccc1 ZINC000078149329 454201988 /nfs/dbraw/zinc/20/19/88/454201988.db2.gz JBUWVWVYBHIFRY-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000089835663 454212423 /nfs/dbraw/zinc/21/24/23/454212423.db2.gz KACUYIPGUGTIGM-ZBFHGGJFSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000089835665 454212493 /nfs/dbraw/zinc/21/24/93/454212493.db2.gz KACUYIPGUGTIGM-HOCLYGCPSA-N 0 0 346.333 3.335 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C)nc1 ZINC000131508897 454260487 /nfs/dbraw/zinc/26/04/87/454260487.db2.gz BRPYZKYKUXOCAT-UHFFFAOYSA-N 0 0 346.412 3.420 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000131612321 454269168 /nfs/dbraw/zinc/26/91/68/454269168.db2.gz BHUDYAWTPTWTEA-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060342867 454278788 /nfs/dbraw/zinc/27/87/88/454278788.db2.gz PWAOWVYJFVHLEX-ZDUSSCGKSA-N 0 0 327.340 3.103 10 5 EGBERN CC[C@H](NS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090221856 454294295 /nfs/dbraw/zinc/29/42/95/454294295.db2.gz UBBHFFLWXIETAF-INIZCTEOSA-N 0 0 334.397 3.166 10 5 EGBERN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc2N(C)C1=O ZINC000072485633 454297369 /nfs/dbraw/zinc/29/73/69/454297369.db2.gz LGVVUPLUBNKJRO-LLVKDONJSA-N 0 0 331.397 3.275 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCC(F)(F)F ZINC000090505991 454312332 /nfs/dbraw/zinc/31/23/32/454312332.db2.gz SAZFKLGTICAVSC-MRVPVSSYSA-N 0 0 334.319 3.168 10 5 EGBERN CNc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000072705190 454330953 /nfs/dbraw/zinc/33/09/53/454330953.db2.gz GNMCFFOFUBFIGG-SNVBAGLBSA-N 0 0 329.360 3.056 10 5 EGBERN Cc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000120897417 454361834 /nfs/dbraw/zinc/36/18/34/454361834.db2.gz LMSLRYFHPATYPQ-UHFFFAOYSA-N 0 0 340.383 3.172 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000097049467 454397473 /nfs/dbraw/zinc/39/74/73/454397473.db2.gz VFELCOYQSTUFGZ-UAGQMJEPSA-N 0 0 349.431 3.238 10 5 EGBERN CC(C)n1ncc2cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cnc21 ZINC000073304105 454419616 /nfs/dbraw/zinc/41/96/16/454419616.db2.gz FPFRQFXVDVHMSZ-UHFFFAOYSA-N 0 0 339.355 3.197 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434212 454435151 /nfs/dbraw/zinc/43/51/51/454435151.db2.gz DFVZNYWATLGZNO-QWRGUYRKSA-N 0 0 346.305 3.211 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1[N+](=O)[O-] ZINC000091836843 454479523 /nfs/dbraw/zinc/47/95/23/454479523.db2.gz AFOXFAOFHRRKCB-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN Cc1[nH]c2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2c1C ZINC000064947711 454517810 /nfs/dbraw/zinc/51/78/10/454517810.db2.gz PECQXROECMLMGA-UHFFFAOYSA-N 0 0 338.367 3.404 10 5 EGBERN CCn1ccnc1COc1c(Br)cccc1[N+](=O)[O-] ZINC000122752161 454566217 /nfs/dbraw/zinc/56/62/17/454566217.db2.gz MNXJBQYGVVUMMS-UHFFFAOYSA-N 0 0 326.150 3.153 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000049758804 454560711 /nfs/dbraw/zinc/56/07/11/454560711.db2.gz LXSLAWURGWIZDY-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN O=C(NC1C2CC3CC(C2)CC1C3)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000122804417 454570441 /nfs/dbraw/zinc/57/04/41/454570441.db2.gz GGKUBWIOKPDQLJ-UHFFFAOYSA-N 0 0 340.383 3.026 10 5 EGBERN CN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21 ZINC000122816600 454571493 /nfs/dbraw/zinc/57/14/93/454571493.db2.gz JALSSYGKOUYPRY-UHFFFAOYSA-N 0 0 332.747 3.296 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1)c1c(C)nn(C)c1C ZINC000092658383 454603818 /nfs/dbraw/zinc/60/38/18/454603818.db2.gz DMVCDDLMCKQSAW-CQSZACIVSA-N 0 0 346.387 3.295 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)c2ccsc2)c1 ZINC000080647923 454611289 /nfs/dbraw/zinc/61/12/89/454611289.db2.gz LBLAZBAEUREAMW-CQSZACIVSA-N 0 0 326.349 3.124 10 5 EGBERN CSc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065758681 454619741 /nfs/dbraw/zinc/61/97/41/454619741.db2.gz DOKCTTOCIURPRL-UHFFFAOYSA-N 0 0 332.381 3.012 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051827946 454638183 /nfs/dbraw/zinc/63/81/83/454638183.db2.gz VOTDZUCBZSTASN-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CCc1nn(C)c(N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000092830027 454642917 /nfs/dbraw/zinc/64/29/17/454642917.db2.gz ZOZKDPUTDVAJCU-UHFFFAOYSA-N 0 0 348.378 3.078 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000105858255 454660404 /nfs/dbraw/zinc/66/04/04/454660404.db2.gz WREYJTAUDAFNNI-CYBMUJFWSA-N 0 0 348.790 3.230 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000135415094 454674801 /nfs/dbraw/zinc/67/48/01/454674801.db2.gz BODWZYJFBVTHAD-HNNXBMFYSA-N 0 0 328.372 3.220 10 5 EGBERN COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000161573035 454704392 /nfs/dbraw/zinc/70/43/92/454704392.db2.gz CXRNWLKVYUKTEL-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN Cc1nc(C)c(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000161787996 454723454 /nfs/dbraw/zinc/72/34/54/454723454.db2.gz KGSMOFXTADCBIR-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151966 454765151 /nfs/dbraw/zinc/76/51/51/454765151.db2.gz ZQLBHBSLWCSEIB-CKEIUWERSA-N 0 0 345.443 3.036 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1ccnc1 ZINC000125006182 454789889 /nfs/dbraw/zinc/78/98/89/454789889.db2.gz GAIZULGNWOXVLM-IAQYHMDHSA-N 0 0 348.790 3.168 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000176956171 454804132 /nfs/dbraw/zinc/80/41/32/454804132.db2.gz VUNQDBFBBYFJQN-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN CSCc1cc(F)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000153560532 454806800 /nfs/dbraw/zinc/80/68/00/454806800.db2.gz QLTDFZXWADLXEC-UHFFFAOYSA-N 0 0 349.387 3.109 10 5 EGBERN CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000108946665 454817523 /nfs/dbraw/zinc/81/75/23/454817523.db2.gz IXQMDEFQCJPNRL-ZDUSSCGKSA-N 0 0 347.806 3.143 10 5 EGBERN CC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125634462 454836120 /nfs/dbraw/zinc/83/61/20/454836120.db2.gz GCRKHTUZHWTUFH-HNNXBMFYSA-N 0 0 326.418 3.015 10 5 EGBERN CN(C)CCNc1ccc(C=O)c2sc3ccccc3c(=O)c12 ZINC000144215180 454847358 /nfs/dbraw/zinc/84/73/58/454847358.db2.gz NYDIVLHRZNHVFT-UHFFFAOYSA-N 0 0 326.421 3.201 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000145987909 454855828 /nfs/dbraw/zinc/85/58/28/454855828.db2.gz LINQUHLYYWKHMD-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1ncc(CNc2ncc([N+](=O)[O-])c(C)c2Br)s1 ZINC000165735701 454904103 /nfs/dbraw/zinc/90/41/03/454904103.db2.gz QUMCARPWMBDTSB-UHFFFAOYSA-N 0 0 343.206 3.438 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1C ZINC000178186429 454942000 /nfs/dbraw/zinc/94/20/00/454942000.db2.gz IJUFHWPEOMKQST-UHFFFAOYSA-N 0 0 343.383 3.075 10 5 EGBERN CC[C@H](C)c1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000127258328 454949350 /nfs/dbraw/zinc/94/93/50/454949350.db2.gz XIJRJPTVTNYZLY-LBPRGKRZSA-N 0 0 328.368 3.461 10 5 EGBERN Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000170663437 454951804 /nfs/dbraw/zinc/95/18/04/454951804.db2.gz TUALDOSXSPLRLY-UHFFFAOYSA-N 0 0 325.368 3.068 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000151275597 454961906 /nfs/dbraw/zinc/96/19/06/454961906.db2.gz ZVLOQJUSYFGDOG-OAHLLOKOSA-N 0 0 346.408 3.487 10 5 EGBERN COc1cccc(F)c1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155106621 454963527 /nfs/dbraw/zinc/96/35/27/454963527.db2.gz AWNHCZVXJPWVGM-NSHDSACASA-N 0 0 347.346 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ncncc2Br)c2cccnc21 ZINC000127541441 454975318 /nfs/dbraw/zinc/97/53/18/454975318.db2.gz FUOKSNWEGIAVLX-UHFFFAOYSA-N 0 0 347.128 3.488 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000127723868 454991743 /nfs/dbraw/zinc/99/17/43/454991743.db2.gz VTZAXJNXHUTRJG-UHFFFAOYSA-N 0 0 345.786 3.211 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000171038426 455019286 /nfs/dbraw/zinc/01/92/86/455019286.db2.gz NQYSENAXTUWHRB-OAHLLOKOSA-N 0 0 347.371 3.035 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156100531 455080983 /nfs/dbraw/zinc/08/09/83/455080983.db2.gz QWVIECOHTRDGIN-LBPRGKRZSA-N 0 0 344.415 3.275 10 5 EGBERN O=C(NCCOc1ccc(F)cc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000171680749 455086187 /nfs/dbraw/zinc/08/61/87/455086187.db2.gz IDFHEVPGAYJERU-UHFFFAOYSA-N 0 0 337.282 3.074 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128885856 455089564 /nfs/dbraw/zinc/08/95/64/455089564.db2.gz ANUDICJVTTVOTL-LRDDRELGSA-N 0 0 340.379 3.452 10 5 EGBERN O=[N+]([O-])c1ccc([C@H](O)CC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000117701305 455091613 /nfs/dbraw/zinc/09/16/13/455091613.db2.gz UWHDPSHAHWBHHT-IYBDPMFKSA-N 0 0 332.312 3.050 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCCO1 ZINC000612561847 460662008 /nfs/dbraw/zinc/66/20/08/460662008.db2.gz HJOKLTLRQKXHIE-JOYOIKCWSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1ccc(OCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000129864676 455130999 /nfs/dbraw/zinc/13/09/99/455130999.db2.gz QGQJCZWWNZRCGH-UHFFFAOYSA-N 0 0 339.351 3.193 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000152576994 455138432 /nfs/dbraw/zinc/13/84/32/455138432.db2.gz MRTADDOTVHJCCA-ZFWWWQNUSA-N 0 0 332.306 3.293 10 5 EGBERN COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000130044223 455139582 /nfs/dbraw/zinc/13/95/82/455139582.db2.gz KBAARYHELDYJLZ-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172429754 455153725 /nfs/dbraw/zinc/15/37/25/455153725.db2.gz SBUGWZILSDLGSV-UHFFFAOYSA-N 0 0 337.379 3.353 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2Cc3ccccc3[C@@H]2O)cc1OC(F)F ZINC000181067457 455283556 /nfs/dbraw/zinc/28/35/56/455283556.db2.gz QUBXSNYNYQLVHB-DOMZBBRYSA-N 0 0 336.294 3.266 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCc2cc(-c3ccccc3)ccc21 ZINC000158267368 455285814 /nfs/dbraw/zinc/28/58/14/455285814.db2.gz TUNQIAOBDMUWEU-UHFFFAOYSA-N 0 0 334.335 3.188 10 5 EGBERN Cc1nn(-c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000181213758 455303537 /nfs/dbraw/zinc/30/35/37/455303537.db2.gz ZIHMZFHQKTXTFB-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc(C(=O)NC2(c3nc(C)cs3)CCC2)cc1[N+](=O)[O-] ZINC000265351819 455310877 /nfs/dbraw/zinc/31/08/77/455310877.db2.gz XQEPTRNCNZLCDQ-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000173595910 455312912 /nfs/dbraw/zinc/31/29/12/455312912.db2.gz WBNWXEPXEYQYHB-CYBMUJFWSA-N 0 0 330.344 3.079 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](C)[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190885400 455397654 /nfs/dbraw/zinc/39/76/54/455397654.db2.gz VOCYRRZQRCMGIO-VBNZEHGJSA-N 0 0 335.404 3.112 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000175121433 455422461 /nfs/dbraw/zinc/42/24/61/455422461.db2.gz OZNNRSZDYVETNL-GJZGRUSLSA-N 0 0 345.443 3.458 10 5 EGBERN COc1cccc2c1nc(NCc1ccc(OC)c([N+](=O)[O-])c1)n2C ZINC000184790085 455448749 /nfs/dbraw/zinc/44/87/49/455448749.db2.gz WMDFJKFVGNPWDO-UHFFFAOYSA-N 0 0 342.355 3.111 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1OC ZINC000175449760 455450088 /nfs/dbraw/zinc/45/00/88/455450088.db2.gz BJJBQEKSZIACJA-NEPJUHHUSA-N 0 0 336.388 3.263 10 5 EGBERN CC[C@H](SC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182286272 455480156 /nfs/dbraw/zinc/48/01/56/455480156.db2.gz CTXKQZKUGKWGBR-JTQLQIEISA-N 0 0 333.207 3.437 10 5 EGBERN CC[C@H](C)N(Cc1ccccc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191467791 455487359 /nfs/dbraw/zinc/48/73/59/455487359.db2.gz SHHUQGRDEYJWSX-ZDUSSCGKSA-N 0 0 330.388 3.252 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(SC)c(F)c2)n1 ZINC000191706079 455511788 /nfs/dbraw/zinc/51/17/88/455511788.db2.gz TXZWHAZIUHIPGW-UHFFFAOYSA-N 0 0 342.327 3.064 10 5 EGBERN CCN(C[C@@H]1CCCO1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601011615 460675395 /nfs/dbraw/zinc/67/53/95/460675395.db2.gz WHXNMMFNXZWFHQ-INIZCTEOSA-N 0 0 332.400 3.044 10 5 EGBERN COc1cc(C(=O)NC2CCC3(CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000277548246 455595141 /nfs/dbraw/zinc/59/51/41/455595141.db2.gz XKEQBLONDNBIBM-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000271340900 455604512 /nfs/dbraw/zinc/60/45/12/455604512.db2.gz CLTXYOKTKQOFLW-HNNXBMFYSA-N 0 0 342.399 3.380 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000268417395 455677689 /nfs/dbraw/zinc/67/76/89/455677689.db2.gz KNVHMFRRWAJXDJ-SUMWQHHRSA-N 0 0 328.368 3.145 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCSCc1nc(CC2CC2)no1 ZINC000601049277 460687885 /nfs/dbraw/zinc/68/78/85/460687885.db2.gz WEHZRPANNDANBX-UHFFFAOYSA-N 0 0 335.385 3.243 10 5 EGBERN CCC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCC1 ZINC000278052610 455744997 /nfs/dbraw/zinc/74/49/97/455744997.db2.gz TYVZZCJAHDOGNR-UHFFFAOYSA-N 0 0 333.207 3.481 10 5 EGBERN CCCCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000278053328 455745492 /nfs/dbraw/zinc/74/54/92/455745492.db2.gz ZDEGPSWORLTPSN-UHFFFAOYSA-N 0 0 346.387 3.192 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)s1 ZINC000278364724 455829858 /nfs/dbraw/zinc/82/98/58/455829858.db2.gz LXIKSLDGUJNSMC-UHFFFAOYSA-N 0 0 337.376 3.122 10 5 EGBERN C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000285445703 455848048 /nfs/dbraw/zinc/84/80/48/455848048.db2.gz XZDYRSIZSCAMFZ-QGZVFWFLSA-N 0 0 336.338 3.081 10 5 EGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280164971 455906902 /nfs/dbraw/zinc/90/69/02/455906902.db2.gz GQWOAMCLKUNBBB-HNNXBMFYSA-N 0 0 326.780 3.023 10 5 EGBERN COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000261705147 455930621 /nfs/dbraw/zinc/93/06/21/455930621.db2.gz LZURIJGOBZEMBB-SFHVURJKSA-N 0 0 341.411 3.058 10 5 EGBERN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280396600 455963833 /nfs/dbraw/zinc/96/38/33/455963833.db2.gz XMDMNAFGQQCLDR-INIZCTEOSA-N 0 0 340.807 3.018 10 5 EGBERN Cc1ccn2c(c1)nnc2NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187878542 455965208 /nfs/dbraw/zinc/96/52/08/455965208.db2.gz UJJFUJMPBIXZLI-UHFFFAOYSA-N 0 0 339.355 3.322 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C(F)(F)F)C1 ZINC000195488179 455967563 /nfs/dbraw/zinc/96/75/63/455967563.db2.gz PRXGCCKQUWILKR-VIFPVBQESA-N 0 0 341.289 3.491 10 5 EGBERN O=[N+]([O-])c1c(N2CCc3[nH]c4ccccc4c3C2)nc2sccn21 ZINC000198363655 456005662 /nfs/dbraw/zinc/00/56/62/456005662.db2.gz SGMISFJYIULSEE-UHFFFAOYSA-N 0 0 339.380 3.348 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCc1ccnc(N2CCCCC2)c1 ZINC000601105839 460712530 /nfs/dbraw/zinc/71/25/30/460712530.db2.gz OEKKBSJUDVLWCL-UHFFFAOYSA-N 0 0 331.351 3.126 10 5 EGBERN C[C@@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2NC1=O ZINC000301267490 456076058 /nfs/dbraw/zinc/07/60/58/456076058.db2.gz IJUDDMSMMCLQGP-ZETCQYMHSA-N 0 0 334.719 3.106 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2CCC(O)CC2)c(Br)c1 ZINC000227708337 456117115 /nfs/dbraw/zinc/11/71/15/456117115.db2.gz IYNVCIAUBCNRMW-UHFFFAOYSA-N 0 0 329.194 3.320 10 5 EGBERN Cc1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)ncc1[N+](=O)[O-] ZINC000301620472 456165026 /nfs/dbraw/zinc/16/50/26/456165026.db2.gz MNPVAUIISGCEKX-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN Cc1nc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000301627968 456167276 /nfs/dbraw/zinc/16/72/76/456167276.db2.gz HWTXOZICGBVYKT-AWEZNQCLSA-N 0 0 327.340 3.368 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C12CCC2 ZINC000601119711 460717273 /nfs/dbraw/zinc/71/72/73/460717273.db2.gz VVZQQOUZVMXPAB-BDAKNGLRSA-N 0 0 348.325 3.107 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000281227395 456171622 /nfs/dbraw/zinc/17/16/22/456171622.db2.gz DUSJFXMTBWKWQO-CYBMUJFWSA-N 0 0 342.351 3.183 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@@H]3C2)cc1Cl ZINC000301697279 456190022 /nfs/dbraw/zinc/19/00/22/456190022.db2.gz ZLHUSUGJQUODDR-PHIMTYICSA-N 0 0 336.775 3.437 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CCO2)c1 ZINC000301721159 456198098 /nfs/dbraw/zinc/19/80/98/456198098.db2.gz QHRPBQPSTGYMJF-GOSISDBHSA-N 0 0 328.368 3.490 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCC(F)(F)C1 ZINC000601132175 460723593 /nfs/dbraw/zinc/72/35/93/460723593.db2.gz XJGOQJXBAFDWMK-ZCFIWIBFSA-N 0 0 328.241 3.337 10 5 EGBERN COCCC1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000297399335 456209839 /nfs/dbraw/zinc/20/98/39/456209839.db2.gz LFOHLEMEZKGAMU-UHFFFAOYSA-N 0 0 330.331 3.055 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000281392529 456220802 /nfs/dbraw/zinc/22/08/02/456220802.db2.gz VNIGXSGVRRVJPZ-HNNXBMFYSA-N 0 0 348.790 3.349 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000601125067 460720138 /nfs/dbraw/zinc/72/01/38/460720138.db2.gz BSWRKQFLTWLIRU-MRXNPFEDSA-N 0 0 345.374 3.357 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCSCc3ccccc3F)nn21 ZINC000301870457 456237930 /nfs/dbraw/zinc/23/79/30/456237930.db2.gz CTWCDTJMNGZPSI-UHFFFAOYSA-N 0 0 347.375 3.122 10 5 EGBERN O=C(NC1CCN(c2sccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000301930448 456253202 /nfs/dbraw/zinc/25/32/02/456253202.db2.gz KMEHBHYLDCQLNL-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN CC1(c2ccccc2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301969937 456262041 /nfs/dbraw/zinc/26/20/41/456262041.db2.gz QWYGIHFUKAPGAX-UHFFFAOYSA-N 0 0 337.383 3.196 10 5 EGBERN CC[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(C)c1 ZINC000301972675 456262097 /nfs/dbraw/zinc/26/20/97/456262097.db2.gz UGEKRGWJXOHMSW-ZDUSSCGKSA-N 0 0 341.371 3.215 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297620892 456264761 /nfs/dbraw/zinc/26/47/61/456264761.db2.gz WIRAWPDOFKFDPG-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN Cc1ccc(C(C)(C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000302005469 456268645 /nfs/dbraw/zinc/26/86/45/456268645.db2.gz SQANTPZSJQAUDQ-UHFFFAOYSA-N 0 0 325.372 3.336 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1ccc2c(c1)COC2 ZINC000601136684 460726094 /nfs/dbraw/zinc/72/60/94/460726094.db2.gz JLTOSLHNIJULNI-UHFFFAOYSA-N 0 0 328.250 3.121 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000302181662 456309821 /nfs/dbraw/zinc/30/98/21/456309821.db2.gz YQOSETAQOSIULJ-OAHLLOKOSA-N 0 0 326.400 3.403 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1C(C)C ZINC000281787694 456320476 /nfs/dbraw/zinc/32/04/76/456320476.db2.gz LVPZISJTUFTVID-FMIVXFBMSA-N 0 0 328.372 3.494 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[S@]1=O ZINC000302221089 456321741 /nfs/dbraw/zinc/32/17/41/456321741.db2.gz NNTVHDTWTWMXQH-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NCCc2nnc3n2CCC3)c(Cl)c1 ZINC000302229141 456323553 /nfs/dbraw/zinc/32/35/53/456323553.db2.gz AVGFPIFRICIBCU-UHFFFAOYSA-N 0 0 342.186 3.094 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000342940203 456326927 /nfs/dbraw/zinc/32/69/27/456326927.db2.gz GWBDUWBJGYIPLT-UHFFFAOYSA-N 0 0 327.262 3.148 10 5 EGBERN CC1(C)CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])O1 ZINC000302404697 456340437 /nfs/dbraw/zinc/34/04/37/456340437.db2.gz KOOZWVPWKSWCTN-QMMMGPOBSA-N 0 0 330.182 3.122 10 5 EGBERN Cc1cccc(N2CCC(c3nnc4ccccn43)CC2)c1[N+](=O)[O-] ZINC000302464500 456345375 /nfs/dbraw/zinc/34/53/75/456345375.db2.gz BBJRPNSUOTVQPF-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN Cc1cccc(NCc2ccc(CN3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000302467402 456346644 /nfs/dbraw/zinc/34/66/44/456346644.db2.gz BRNQRCKLMQLGQL-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN COCC[C@H](c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785714 456366824 /nfs/dbraw/zinc/36/68/24/456366824.db2.gz NYBISTQYFLFESM-GOSISDBHSA-N 0 0 327.384 3.126 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc3c[nH]nc3cc2C)c1 ZINC000302644227 456368659 /nfs/dbraw/zinc/36/86/59/456368659.db2.gz ABQABAKZFLMGFR-UHFFFAOYSA-N 0 0 326.312 3.310 10 5 EGBERN C[C@@H]1c2ccccc2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352862182 456371513 /nfs/dbraw/zinc/37/15/13/456371513.db2.gz MUFCEDKCYJUZTQ-GFCCVEGCSA-N 0 0 332.381 3.001 10 5 EGBERN CC(=O)c1ccc(NCc2ccc3c(=O)cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC000343056767 456376071 /nfs/dbraw/zinc/37/60/71/456376071.db2.gz YIBBFZUEZPUNJW-UHFFFAOYSA-N 0 0 337.335 3.251 10 5 EGBERN O=C(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000347810017 456379177 /nfs/dbraw/zinc/37/91/77/456379177.db2.gz CSWCAKMYNWFFBD-UHFFFAOYSA-N 0 0 342.326 3.286 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1c[nH]c2cc(F)ccc12 ZINC000347822943 456386901 /nfs/dbraw/zinc/38/69/01/456386901.db2.gz KDUTZELGTAKZAJ-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000343087915 456398971 /nfs/dbraw/zinc/39/89/71/456398971.db2.gz XJESZBACUAIALJ-TZMCWYRMSA-N 0 0 345.330 3.192 10 5 EGBERN CC(C)c1noc(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)n1 ZINC000302906143 456433916 /nfs/dbraw/zinc/43/39/16/456433916.db2.gz WLZVQZGYBNLWPZ-UHFFFAOYSA-N 0 0 331.376 3.114 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000340401090 456438175 /nfs/dbraw/zinc/43/81/75/456438175.db2.gz NRJHNBAYVYNPJV-QGZVFWFLSA-N 0 0 343.408 3.349 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000348122993 456499299 /nfs/dbraw/zinc/49/92/99/456499299.db2.gz QBQUCKYQBGMEEX-KGLIPLIRSA-N 0 0 326.352 3.279 10 5 EGBERN CSCCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340539055 456519999 /nfs/dbraw/zinc/51/99/99/456519999.db2.gz QZTFGHYGLVMLSZ-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN COc1ccc2c(Cc3nc(CCC(C)(C)[N+](=O)[O-])no3)coc2c1 ZINC000291103174 456528719 /nfs/dbraw/zinc/52/87/19/456528719.db2.gz RRYRDRQINBXNQG-UHFFFAOYSA-N 0 0 345.355 3.403 10 5 EGBERN CCOc1cc(NC(=O)N[C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000348225747 456547491 /nfs/dbraw/zinc/54/74/91/456547491.db2.gz BGRJHSNYMXZFRZ-QWRGUYRKSA-N 0 0 337.376 3.312 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1OC ZINC000340611198 456570689 /nfs/dbraw/zinc/57/06/89/456570689.db2.gz CYAPASKGADAGEL-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCc1cccc(CC)c1NC(=O)[C@H](C)n1cc(C)c([N+](=O)[O-])n1 ZINC000337933242 456608008 /nfs/dbraw/zinc/60/80/08/456608008.db2.gz FLXCYOLNSQLQDJ-LBPRGKRZSA-N 0 0 330.388 3.424 10 5 EGBERN Cc1cn([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc1[N+](=O)[O-] ZINC000337936087 456609295 /nfs/dbraw/zinc/60/92/95/456609295.db2.gz DTMZKJJGYDRRRN-VIFPVBQESA-N 0 0 333.735 3.412 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2noc(C3CC3)n2)c(Br)c1 ZINC000343429627 456615800 /nfs/dbraw/zinc/61/58/00/456615800.db2.gz SSLJFRFBWMAGMH-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN CCOc1ccc(C(=O)NCc2ccc(OC)cc2F)cc1[N+](=O)[O-] ZINC000343463511 456638360 /nfs/dbraw/zinc/63/83/60/456638360.db2.gz ZOZPTLMZFRRXHY-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282846079 456643999 /nfs/dbraw/zinc/64/39/99/456643999.db2.gz NFRSWAWSMZMEJI-XHDPSFHLSA-N 0 0 340.807 3.228 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncn2)no1 ZINC000338173640 456683720 /nfs/dbraw/zinc/68/37/20/456683720.db2.gz BXOZQXOHYTZTQN-SECBINFHSA-N 0 0 329.341 3.288 10 5 EGBERN CCn1nccc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000338182456 456688623 /nfs/dbraw/zinc/68/86/23/456688623.db2.gz KTMPYZADIQGFKE-UHFFFAOYSA-N 0 0 332.363 3.150 10 5 EGBERN C[C@]12CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]1C2(F)F ZINC000291682302 456718110 /nfs/dbraw/zinc/71/81/10/456718110.db2.gz DTMYPQYSKBGJBD-YPMHNXCESA-N 0 0 329.278 3.243 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1OCCc2ccccc21 ZINC000299572973 456732150 /nfs/dbraw/zinc/73/21/50/456732150.db2.gz BNILIAFBHMBNQG-GOSISDBHSA-N 0 0 340.379 3.289 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000299602433 456740588 /nfs/dbraw/zinc/74/05/88/456740588.db2.gz HGFUUDMEKXXXOY-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000340886770 456741254 /nfs/dbraw/zinc/74/12/54/456741254.db2.gz XFNXZEGTWMGIBD-CYBMUJFWSA-N 0 0 334.351 3.367 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)c(Br)c1 ZINC000353537912 456742142 /nfs/dbraw/zinc/74/21/42/456742142.db2.gz GOESWUQEEBCRSL-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000353552142 456755286 /nfs/dbraw/zinc/75/52/86/456755286.db2.gz XKYOZWOLUCVGNY-CYBMUJFWSA-N 0 0 336.417 3.215 10 5 EGBERN C[C@H]1COCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000277335302 456782834 /nfs/dbraw/zinc/78/28/34/456782834.db2.gz FCPAJMRSFCKRNU-KWQFWETISA-N 0 0 347.293 3.160 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000348627552 456786250 /nfs/dbraw/zinc/78/62/50/456786250.db2.gz PTWKTHFKGATISC-SJCJKPOMSA-N 0 0 325.368 3.328 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCC(c2ccccc2)CC1 ZINC000301110538 456800056 /nfs/dbraw/zinc/80/00/56/456800056.db2.gz UWFRAQQZKYNDDJ-UHFFFAOYSA-N 0 0 340.383 3.227 10 5 EGBERN C[C@@H](CC(C)(C)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301132237 456803390 /nfs/dbraw/zinc/80/33/90/456803390.db2.gz WEWABTVNFGAKAQ-LBPRGKRZSA-N 0 0 342.399 3.257 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344253461 456811452 /nfs/dbraw/zinc/81/14/52/456811452.db2.gz BUSZZNRJYKPOPT-SJKOYZFVSA-N 0 0 344.342 3.336 10 5 EGBERN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000291976103 456818187 /nfs/dbraw/zinc/81/81/87/456818187.db2.gz VXIBYWXKVGWOPK-MRXNPFEDSA-N 0 0 331.372 3.249 10 5 EGBERN CCOc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000341275801 456830037 /nfs/dbraw/zinc/83/00/37/456830037.db2.gz KMGSGWBAEXOYKP-HNNXBMFYSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000341314722 456842861 /nfs/dbraw/zinc/84/28/61/456842861.db2.gz YYURWBSPJFQBHM-ZDUSSCGKSA-N 0 0 348.362 3.498 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000277489165 456842912 /nfs/dbraw/zinc/84/29/12/456842912.db2.gz XAJZOJAHRJRKHZ-GUYCJALGSA-N 0 0 328.368 3.455 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC(C)(C)C)n1 ZINC000341646137 456882494 /nfs/dbraw/zinc/88/24/94/456882494.db2.gz SPSPHBWLFWGZII-UHFFFAOYSA-N 0 0 331.376 3.274 10 5 EGBERN COCCOc1cccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1 ZINC000341730687 456918915 /nfs/dbraw/zinc/91/89/15/456918915.db2.gz NYHXYYZBWAPFJT-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN CC[C@@H](C)OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341731607 456919656 /nfs/dbraw/zinc/91/96/56/456919656.db2.gz VUNRQLWQELMBRR-MRVPVSSYSA-N 0 0 331.166 3.111 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4(CCF)CC4)n3)c2c1 ZINC000353837153 456930049 /nfs/dbraw/zinc/93/00/49/456930049.db2.gz RPXILUHSTLKILF-UHFFFAOYSA-N 0 0 330.319 3.441 10 5 EGBERN Cc1c(CC(=O)N(CC(F)F)CC2CCC2)cccc1[N+](=O)[O-] ZINC000341861321 456975717 /nfs/dbraw/zinc/97/57/17/456975717.db2.gz BGRLVMRMLRWOAN-UHFFFAOYSA-N 0 0 326.343 3.340 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000341864277 456976441 /nfs/dbraw/zinc/97/64/41/456976441.db2.gz QGJDBIXUNPAHRP-UHFFFAOYSA-N 0 0 328.315 3.111 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356471228 457006564 /nfs/dbraw/zinc/00/65/64/457006564.db2.gz CGZSNAYEFNREBD-CZUORRHYSA-N 0 0 332.381 3.125 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000341930822 457008830 /nfs/dbraw/zinc/00/88/30/457008830.db2.gz SAJHBZXSIYUFAR-UHFFFAOYSA-N 0 0 348.362 3.245 10 5 EGBERN CN(Cc1ccco1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358903389 457032877 /nfs/dbraw/zinc/03/28/77/457032877.db2.gz LIPRLHDOKIHRJU-UHFFFAOYSA-N 0 0 326.255 3.061 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCCc2ccccc21 ZINC000339276590 457036244 /nfs/dbraw/zinc/03/62/44/457036244.db2.gz UMEZHIQZPIDRIO-GOSISDBHSA-N 0 0 325.368 3.280 10 5 EGBERN CCc1ccc([C@H]2COCCN2c2nc(C)cc(C)c2[N+](=O)[O-])o1 ZINC000359087752 457052076 /nfs/dbraw/zinc/05/20/76/457052076.db2.gz XXQHWQHHDCZASE-CQSZACIVSA-N 0 0 331.372 3.340 10 5 EGBERN Cc1c(CNC(=O)c2ccc(OC(C)C)cn2)cccc1[N+](=O)[O-] ZINC000346680787 457109026 /nfs/dbraw/zinc/10/90/26/457109026.db2.gz MNWVBBSVGVZPMY-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN CC(C)C1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331120835 457135313 /nfs/dbraw/zinc/13/53/13/457135313.db2.gz MAJPJDYYTQAIDK-UHFFFAOYSA-N 0 0 326.343 3.310 10 5 EGBERN CNC(=O)c1ccc(N(C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000362950568 457171005 /nfs/dbraw/zinc/17/10/05/457171005.db2.gz FBFNEJRHIHYGIU-UHFFFAOYSA-N 0 0 331.347 3.038 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1O ZINC000362963573 457178747 /nfs/dbraw/zinc/17/87/47/457178747.db2.gz NOPYVUYVFVDGJZ-UHFFFAOYSA-N 0 0 342.685 3.413 10 5 EGBERN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000342282320 457210791 /nfs/dbraw/zinc/21/07/91/457210791.db2.gz PCJJWNHRFODCMR-VXGBXAGGSA-N 0 0 338.367 3.393 10 5 EGBERN COc1ccc(-c2nc(-c3cc(C)cc(C)n3)no2)cc1[N+](=O)[O-] ZINC000356969562 457248552 /nfs/dbraw/zinc/24/85/52/457248552.db2.gz YMTBPBUEDFOIPK-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CCOC(=O)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000342347583 457249584 /nfs/dbraw/zinc/24/95/84/457249584.db2.gz AAIRYLMKGPYVGC-CYBMUJFWSA-N 0 0 332.331 3.493 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000347154522 457259286 /nfs/dbraw/zinc/25/92/86/457259286.db2.gz LWAFSQWCXPVFLV-UHFFFAOYSA-N 0 0 335.404 3.175 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](OC)c2ccccc2)c1 ZINC000360144653 457274337 /nfs/dbraw/zinc/27/43/37/457274337.db2.gz QDYXGFNFIFHVLM-MRXNPFEDSA-N 0 0 330.340 3.181 10 5 EGBERN Cc1nc(CN(C)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000347194399 457281957 /nfs/dbraw/zinc/28/19/57/457281957.db2.gz UTPSTERRDKFHNP-UHFFFAOYSA-N 0 0 347.375 3.248 10 5 EGBERN C/C(=C/c1nc(COC[C@@H]2CCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000351428154 457286362 /nfs/dbraw/zinc/28/63/62/457286362.db2.gz ZPESPMRWNGHKBW-LLBKUYECSA-N 0 0 345.355 3.091 10 5 EGBERN Cc1nn(CCC(=O)N(C)Cc2cc(C)cc(C)c2)c(C)c1[N+](=O)[O-] ZINC000347214275 457292631 /nfs/dbraw/zinc/29/26/31/457292631.db2.gz XJUFUQZMTUOWNK-UHFFFAOYSA-N 0 0 344.415 3.074 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000347245231 457307790 /nfs/dbraw/zinc/30/77/90/457307790.db2.gz MMBFGYMJPQGUQH-UHFFFAOYSA-N 0 0 344.327 3.488 10 5 EGBERN COc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357159256 457351892 /nfs/dbraw/zinc/35/18/92/457351892.db2.gz ZEJHROINMBDCMX-WPRPVWTQSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc2c1OCCC2 ZINC000360900619 457421825 /nfs/dbraw/zinc/42/18/25/457421825.db2.gz NJKIRYPDHNIPNM-UHFFFAOYSA-N 0 0 341.367 3.279 10 5 EGBERN CC1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000425149488 457452400 /nfs/dbraw/zinc/45/24/00/457452400.db2.gz ZKOFHZVFRMTCDO-MUJYYYPQSA-N 0 0 343.427 3.359 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)cc1 ZINC000369907860 457455514 /nfs/dbraw/zinc/45/55/14/457455514.db2.gz HMPRQIKDINWRJA-OAHLLOKOSA-N 0 0 326.352 3.239 10 5 EGBERN C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc2c(c1)OCO2 ZINC000357343182 457462330 /nfs/dbraw/zinc/46/23/30/457462330.db2.gz ZULRRRCXAFEZBL-SNVBAGLBSA-N 0 0 338.323 3.440 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccon2)no1 ZINC000357360827 457471332 /nfs/dbraw/zinc/47/13/32/457471332.db2.gz XKLWIUCBPGNTHJ-SSDOTTSWSA-N 0 0 336.691 3.426 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1oc(C)nc1C ZINC000425255042 457473160 /nfs/dbraw/zinc/47/31/60/457473160.db2.gz OKYFIJSRQRENKW-UHFFFAOYSA-N 0 0 337.307 3.128 10 5 EGBERN Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccncc2[N+](=O)[O-])cc1 ZINC000360989402 457494160 /nfs/dbraw/zinc/49/41/60/457494160.db2.gz CLYFLSIIMPNCBQ-CRAIPNDOSA-N 0 0 327.384 3.300 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1csc(CCc2ccccc2)n1 ZINC000360998221 457500926 /nfs/dbraw/zinc/50/09/26/457500926.db2.gz ZBPXSGQGKYRAKI-UHFFFAOYSA-N 0 0 340.408 3.266 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000374232008 457535874 /nfs/dbraw/zinc/53/58/74/457535874.db2.gz ZEARRTAPUMIKQB-CYBMUJFWSA-N 0 0 332.381 3.258 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425409901 457540452 /nfs/dbraw/zinc/54/04/52/457540452.db2.gz AMBJDUOWUYONHO-AEFFLSMTSA-N 0 0 343.358 3.074 10 5 EGBERN CC[C@H]1CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000347618589 457553421 /nfs/dbraw/zinc/55/34/21/457553421.db2.gz WWTVQIIXULNOLG-NSHDSACASA-N 0 0 345.321 3.427 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@H]1C ZINC000361061031 457555289 /nfs/dbraw/zinc/55/52/89/457555289.db2.gz YCMYZNJWLYLBRC-CYBMUJFWSA-N 0 0 325.368 3.419 10 5 EGBERN C[C@@H]1C[C@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490824 457561909 /nfs/dbraw/zinc/56/19/09/457561909.db2.gz XAFSCYGRHVYMEU-CHWSQXEVSA-N 0 0 346.387 3.305 10 5 EGBERN CC(=O)N1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)cc2C1 ZINC000370213924 457588094 /nfs/dbraw/zinc/58/80/94/457588094.db2.gz CLVBWTSRZUNDGB-UHFFFAOYSA-N 0 0 339.351 3.018 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc3cc[nH]c3n2)s1 ZINC000357556105 457593337 /nfs/dbraw/zinc/59/33/37/457593337.db2.gz DXSZAWRBBPNHRW-UHFFFAOYSA-N 0 0 326.341 3.088 10 5 EGBERN Cc1cc(C)cc(CS(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000409549661 457605125 /nfs/dbraw/zinc/60/51/25/457605125.db2.gz YOHZIYFLWDIOPH-UHFFFAOYSA-N 0 0 346.408 3.104 10 5 EGBERN O=C(c1cccc2ccc(=O)[nH]c21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361146490 457612442 /nfs/dbraw/zinc/61/24/42/457612442.db2.gz FVPDGFOUZLOUDM-UHFFFAOYSA-N 0 0 335.319 3.052 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ncccc2-n2cccn2)no1 ZINC000361194450 457640876 /nfs/dbraw/zinc/64/08/76/457640876.db2.gz SKWOEJVKOZNMCU-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN COCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@H](C)C1 ZINC000361247528 457665621 /nfs/dbraw/zinc/66/56/21/457665621.db2.gz XLYLXTLGZWCCRF-QWHCGFSZSA-N 0 0 345.399 3.353 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443512148 457773420 /nfs/dbraw/zinc/77/34/20/457773420.db2.gz SAFVYTZSWMBQQR-UHFFFAOYSA-N 0 0 348.399 3.309 10 5 EGBERN Cc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cnn1C(C)(C)C ZINC000361548375 457789613 /nfs/dbraw/zinc/78/96/13/457789613.db2.gz YXLYEBQVGYIUNL-LLVKDONJSA-N 0 0 342.399 3.446 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c(Cl)c1 ZINC000375185555 457825141 /nfs/dbraw/zinc/82/51/41/457825141.db2.gz AIADKEJWVFYLHX-OAHLLOKOSA-N 0 0 343.774 3.246 10 5 EGBERN Nc1nc(N2CCCC[C@@H]2c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000443963057 457829554 /nfs/dbraw/zinc/82/95/54/457829554.db2.gz NSGCGCHGHBNFRX-GFCCVEGCSA-N 0 0 333.779 3.182 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433765370 457881302 /nfs/dbraw/zinc/88/13/02/457881302.db2.gz HNWQTPUQTULVCU-CYBMUJFWSA-N 0 0 344.415 3.453 10 5 EGBERN COc1cccc(N2CC[C@@H](OCc3c(C)noc3C)C2)c1[N+](=O)[O-] ZINC000375371717 457901486 /nfs/dbraw/zinc/90/14/86/457901486.db2.gz WVCNKDMVYHPWAG-CYBMUJFWSA-N 0 0 347.371 3.004 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411531929 457913043 /nfs/dbraw/zinc/91/30/43/457913043.db2.gz YRRIUDRNTZLMPK-CRAIPNDOSA-N 0 0 344.342 3.105 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375409761 457920152 /nfs/dbraw/zinc/92/01/52/457920152.db2.gz ZAXXCZNSRUGSCW-KRWDZBQOSA-N 0 0 333.388 3.246 10 5 EGBERN COC1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000427044812 457937946 /nfs/dbraw/zinc/93/79/46/457937946.db2.gz NYQGLNIXFVMLJN-UHFFFAOYSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000434138712 457952439 /nfs/dbraw/zinc/95/24/39/457952439.db2.gz RWGRFIMJAHJQOZ-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN COc1ccc(OCCOc2cccnc2OC(C)C)c([N+](=O)[O-])c1 ZINC000361917785 457955220 /nfs/dbraw/zinc/95/52/20/457955220.db2.gz URKLWBGEPBZAKK-UHFFFAOYSA-N 0 0 348.355 3.243 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000375548876 457968012 /nfs/dbraw/zinc/96/80/12/457968012.db2.gz NDQMBAUHYAANSF-LBPRGKRZSA-N 0 0 347.415 3.393 10 5 EGBERN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361953936 457975990 /nfs/dbraw/zinc/97/59/90/457975990.db2.gz TURWFHDBOPYSSQ-GFCCVEGCSA-N 0 0 343.383 3.010 10 5 EGBERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000358408823 457984401 /nfs/dbraw/zinc/98/44/01/457984401.db2.gz IAOYOYRIMNDXEZ-BDJLRTHQSA-N 0 0 339.351 3.442 10 5 EGBERN CCc1c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cnn1C(CC)CC ZINC000427477619 457992857 /nfs/dbraw/zinc/99/28/57/457992857.db2.gz ADSJKMTTWDAUPM-UHFFFAOYSA-N 0 0 348.407 3.184 10 5 EGBERN CN(Cc1cscn1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445010248 458006710 /nfs/dbraw/zinc/00/67/10/458006710.db2.gz SYRKZHASQMAJIO-UHFFFAOYSA-N 0 0 349.415 3.410 10 5 EGBERN Cc1nnccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000362041530 458022310 /nfs/dbraw/zinc/02/23/10/458022310.db2.gz XLYYDAISBSIOSS-UHFFFAOYSA-N 0 0 329.360 3.136 10 5 EGBERN O=C(Nc1cccc(CO)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445247872 458032473 /nfs/dbraw/zinc/03/24/73/458032473.db2.gz IDCLCKPVBQPKCW-UHFFFAOYSA-N 0 0 344.370 3.426 10 5 EGBERN COc1ccc([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000427999537 458063248 /nfs/dbraw/zinc/06/32/48/458063248.db2.gz ZSKDQBJGIYYEEP-ZDUSSCGKSA-N 0 0 338.367 3.474 10 5 EGBERN CC[C@@H](NC(=O)NC[C@]1(O)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000458529756 458083794 /nfs/dbraw/zinc/08/37/94/458083794.db2.gz ZRGRRIHJKLRQIZ-CRAIPNDOSA-N 0 0 349.431 3.286 10 5 EGBERN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000412171802 458115886 /nfs/dbraw/zinc/11/58/86/458115886.db2.gz LVHCOJUVYJAILJ-IEBWSBKVSA-N 0 0 340.354 3.364 10 5 EGBERN CC1=C(c2ccco2)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000369231748 458135816 /nfs/dbraw/zinc/13/58/16/458135816.db2.gz XSQMENBWCUZULD-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000435401754 458137495 /nfs/dbraw/zinc/13/74/95/458137495.db2.gz LQMVUNWKMNXTES-GDBMZVCRSA-N 0 0 343.383 3.351 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000446108739 458149353 /nfs/dbraw/zinc/14/93/53/458149353.db2.gz PRTDXEYQXQEYQZ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN CC[C@H](C[C@H](C)CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446174077 458160673 /nfs/dbraw/zinc/16/06/73/458160673.db2.gz APSADVHYVZAZFK-JOYOIKCWSA-N 0 0 328.796 3.084 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358707812 458162515 /nfs/dbraw/zinc/16/25/15/458162515.db2.gz WQGQYQWNFPBSSH-ZWKOTPCHSA-N 0 0 340.379 3.066 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H](c4cccc(Cl)c4)C3)nn21 ZINC000435585619 458166470 /nfs/dbraw/zinc/16/64/70/458166470.db2.gz TZWGIFWZEVHHLX-AULYBMBSSA-N 0 0 343.774 3.071 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC2(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000412339672 458173988 /nfs/dbraw/zinc/17/39/88/458173988.db2.gz QARMJHXQHDPIAE-UHFFFAOYSA-N 0 0 346.305 3.454 10 5 EGBERN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000362482515 458208643 /nfs/dbraw/zinc/20/86/43/458208643.db2.gz GLRDFJVUYFTBMJ-JKSUJKDBSA-N 0 0 332.400 3.371 10 5 EGBERN Nc1c(C(=O)NCc2cccc(-c3cccnc3)c2)cccc1[N+](=O)[O-] ZINC000372194207 458226953 /nfs/dbraw/zinc/22/69/53/458226953.db2.gz VYHIJWRLHVOESV-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN Cn1nccc1C1=CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000376205661 458232577 /nfs/dbraw/zinc/23/25/77/458232577.db2.gz CDKMILFHGMBLPR-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CCCC2 ZINC000428936716 458235592 /nfs/dbraw/zinc/23/55/92/458235592.db2.gz BOQMQBZPZQQASV-AWEZNQCLSA-N 0 0 337.807 3.423 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000358827386 458241894 /nfs/dbraw/zinc/24/18/94/458241894.db2.gz ILLUADUXYRTXKM-UHFFFAOYSA-N 0 0 343.383 3.034 10 5 EGBERN CC[C@H](NC(=O)N1CCOCC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376304656 458263313 /nfs/dbraw/zinc/26/33/13/458263313.db2.gz OQYQFPAKDOSBMI-INIZCTEOSA-N 0 0 347.415 3.258 10 5 EGBERN COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000447265691 458277182 /nfs/dbraw/zinc/27/71/82/458277182.db2.gz SMJKLRDKIGOPKV-UHFFFAOYSA-N 0 0 336.369 3.021 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCCOC3)cc1OC(F)F ZINC000376490042 458316895 /nfs/dbraw/zinc/31/68/95/458316895.db2.gz XHWHXOMDRIZKOF-OAHLLOKOSA-N 0 0 328.315 3.203 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1[N+](=O)[O-] ZINC000436515430 458320701 /nfs/dbraw/zinc/32/07/01/458320701.db2.gz RAXNJIFAECUTCQ-UHFFFAOYSA-N 0 0 332.360 3.136 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCc4ccc(F)c(F)c4C3)nc2c1 ZINC000447691100 458329945 /nfs/dbraw/zinc/32/99/45/458329945.db2.gz OCVKWDMSIRNEDR-UHFFFAOYSA-N 0 0 330.294 3.312 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccccc4)CC3)nc2c1 ZINC000447684765 458330310 /nfs/dbraw/zinc/33/03/10/458330310.db2.gz DNLDNRXZBLKEII-UHFFFAOYSA-N 0 0 337.383 3.188 10 5 EGBERN Cn1cc(C(=O)N[C@H]2CC23CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430221026 458424450 /nfs/dbraw/zinc/42/44/50/458424450.db2.gz CPMSJIRYKULPBE-HNNXBMFYSA-N 0 0 340.383 3.058 10 5 EGBERN CCOc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])ccc1C ZINC000460511113 458522323 /nfs/dbraw/zinc/52/23/23/458522323.db2.gz UDMSYOUPZPDRGA-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000460628355 458527927 /nfs/dbraw/zinc/52/79/27/458527927.db2.gz IQGMLJTTXISZCR-HOCLYGCPSA-N 0 0 341.415 3.498 10 5 EGBERN Cc1c(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000460856913 458538051 /nfs/dbraw/zinc/53/80/51/458538051.db2.gz QLPJZXDVVRQFSY-INIZCTEOSA-N 0 0 329.400 3.377 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438142383 458541198 /nfs/dbraw/zinc/54/11/98/458541198.db2.gz NCDALGCCFBSQMC-PSVSLLHZSA-N 0 0 344.342 3.417 10 5 EGBERN CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461276622 458554439 /nfs/dbraw/zinc/55/44/39/458554439.db2.gz YFNDLCDWNSAXKU-OLZOCXBDSA-N 0 0 343.383 3.492 10 5 EGBERN C[C@@H]1[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000431466512 458576578 /nfs/dbraw/zinc/57/65/78/458576578.db2.gz VINRAXRCIBUZQQ-VHSSKADRSA-N 0 0 339.395 3.173 10 5 EGBERN CC[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000431510415 458583470 /nfs/dbraw/zinc/58/34/70/458583470.db2.gz HISGHIPBJKOALN-HAQNSBGRSA-N 0 0 326.418 3.379 10 5 EGBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000373742049 458589670 /nfs/dbraw/zinc/58/96/70/458589670.db2.gz IMXGUEVKKJJGAW-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000470172683 458621287 /nfs/dbraw/zinc/62/12/87/458621287.db2.gz AEPIEGHIXQVSDU-BJJWVYSUSA-N 0 0 346.427 3.266 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)OCCC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462565802 458631806 /nfs/dbraw/zinc/63/18/06/458631806.db2.gz MCBGQIPCCHINMA-CYBMUJFWSA-N 0 0 345.399 3.263 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC(C)(C)[C@H]1C ZINC000438955423 458633576 /nfs/dbraw/zinc/63/35/76/458633576.db2.gz UFFSHFSISCQSKC-SNVBAGLBSA-N 0 0 326.780 3.196 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000439160815 458664098 /nfs/dbraw/zinc/66/40/98/458664098.db2.gz VQERPKCKUGTKCS-GDBMZVCRSA-N 0 0 332.400 3.359 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432547050 458753539 /nfs/dbraw/zinc/75/35/39/458753539.db2.gz QRNPIRUETKHNPT-SMDDNHRTSA-N 0 0 338.429 3.250 10 5 EGBERN Cc1sc(C(=O)NCC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000456860757 458803833 /nfs/dbraw/zinc/80/38/33/458803833.db2.gz OWQDVTQFOJDZGG-UHFFFAOYSA-N 0 0 326.418 3.026 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000495164954 458804007 /nfs/dbraw/zinc/80/40/07/458804007.db2.gz QEULPEJGMMIEHM-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN CCOC(=O)c1cnn(-c2c(F)cc([N+](=O)[O-])cc2F)c1C(F)F ZINC000440603607 458831210 /nfs/dbraw/zinc/83/12/10/458831210.db2.gz ZJXYGPFWDWEFQT-UHFFFAOYSA-N 0 0 347.224 3.173 10 5 EGBERN COC(=O)c1cc(NCCc2cccc(O)c2)cc(C)c1[N+](=O)[O-] ZINC000440720241 458847375 /nfs/dbraw/zinc/84/73/75/458847375.db2.gz ZESCZSZJZVFBGC-UHFFFAOYSA-N 0 0 330.340 3.050 10 5 EGBERN CC(C)N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC(C)(C)C1 ZINC000457076990 458856953 /nfs/dbraw/zinc/85/69/53/458856953.db2.gz QRDCATPQRJSNFX-UHFFFAOYSA-N 0 0 334.372 3.363 10 5 EGBERN COCC[C@H]1CCCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000466621232 458909517 /nfs/dbraw/zinc/90/95/17/458909517.db2.gz YVCGVWQXNLBYGB-CYBMUJFWSA-N 0 0 336.388 3.024 10 5 EGBERN COc1cc(N(C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000531568591 458938123 /nfs/dbraw/zinc/93/81/23/458938123.db2.gz LWOINACKCBICAA-UHFFFAOYSA-N 0 0 348.330 3.150 10 5 EGBERN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000566510601 458951807 /nfs/dbraw/zinc/95/18/07/458951807.db2.gz WDZZVJUXRHFMMD-NVXWUHKLSA-N 0 0 332.400 3.450 10 5 EGBERN CN1C(=O)Cc2cc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)ccc21 ZINC000566558227 458961023 /nfs/dbraw/zinc/96/10/23/458961023.db2.gz SHIUUEMNCCWUDQ-UHFFFAOYSA-N 0 0 338.367 3.131 10 5 EGBERN Cc1ccccc1C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000566635880 458973574 /nfs/dbraw/zinc/97/35/74/458973574.db2.gz BIEDRGRIKHRZGZ-GFCCVEGCSA-N 0 0 338.367 3.017 10 5 EGBERN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000531887520 458995095 /nfs/dbraw/zinc/99/50/95/458995095.db2.gz BOGIJDQLRHLVHV-INIZCTEOSA-N 0 0 329.356 3.126 10 5 EGBERN C[C@H](c1nc([C@H]2CCOC[C@@H]2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000442693194 459024667 /nfs/dbraw/zinc/02/46/67/459024667.db2.gz IVAVHPYEELORCH-NHCYSSNCSA-N 0 0 335.335 3.409 10 5 EGBERN CC1(C2CC2)CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577432500 459032464 /nfs/dbraw/zinc/03/24/64/459032464.db2.gz ADUCFUMBNZJXPR-UHFFFAOYSA-N 0 0 347.415 3.195 10 5 EGBERN CC(C)(C)OCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532137428 459035889 /nfs/dbraw/zinc/03/58/89/459035889.db2.gz FEPRZBRUIMCGSB-UHFFFAOYSA-N 0 0 343.383 3.235 10 5 EGBERN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532393213 459080381 /nfs/dbraw/zinc/08/03/81/459080381.db2.gz NZXSVPROHCAYLA-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1C[C@H]1CCC3(CCCC3)O1)CCCC2 ZINC000567351397 459091667 /nfs/dbraw/zinc/09/16/67/459091667.db2.gz MBWJDVDGMZNWNU-CQSZACIVSA-N 0 0 332.400 3.127 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CC3)[C@H]3CCCCO3)c21 ZINC000594590715 459101382 /nfs/dbraw/zinc/10/13/82/459101382.db2.gz NMZNHSNOGCORIJ-GDBMZVCRSA-N 0 0 328.372 3.298 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(O)cc(C(F)(F)F)c1 ZINC000590431933 459129933 /nfs/dbraw/zinc/12/99/33/459129933.db2.gz XLCKDIUCPAGZMR-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000558085250 459130557 /nfs/dbraw/zinc/13/05/57/459130557.db2.gz RLVYHELGAAVFGH-MNOVXSKESA-N 0 0 326.343 3.358 10 5 EGBERN COc1cccc(C(=O)N2CC(F)(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000590442578 459130864 /nfs/dbraw/zinc/13/08/64/459130864.db2.gz HMHULTNFHCYXRO-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN COc1cc(COc2ccc(CC[C@@H](C)O)cc2)ccc1[N+](=O)[O-] ZINC000567601879 459132416 /nfs/dbraw/zinc/13/24/16/459132416.db2.gz GQNPBKLWNRXTTH-CYBMUJFWSA-N 0 0 331.368 3.496 10 5 EGBERN COC[C@H](CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)OC ZINC000594701128 459133640 /nfs/dbraw/zinc/13/36/40/459133640.db2.gz KQNVYZPWKLUJOH-HNNXBMFYSA-N 0 0 331.372 3.412 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]3C(F)(F)F)co2)cc1 ZINC000590602988 459159777 /nfs/dbraw/zinc/15/97/77/459159777.db2.gz YYRHCQGWXWQKOB-LBPRGKRZSA-N 0 0 327.262 3.386 10 5 EGBERN CC(C)O[C@]1(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCOC1 ZINC000594898531 459170539 /nfs/dbraw/zinc/17/05/39/459170539.db2.gz UELFKYVWZFLKRM-KRWDZBQOSA-N 0 0 331.372 3.042 10 5 EGBERN Nc1cc(NCc2cc(C3CC3)ccc2F)cc(CO)c1[N+](=O)[O-] ZINC000590706599 459190853 /nfs/dbraw/zinc/19/08/53/459190853.db2.gz YKDKLPHZILIHJY-UHFFFAOYSA-N 0 0 331.347 3.298 10 5 EGBERN COc1ccnc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1F ZINC000595082296 459239701 /nfs/dbraw/zinc/23/97/01/459239701.db2.gz YDLNDYVUUKZTRH-CQSZACIVSA-N 0 0 331.347 3.305 10 5 EGBERN CC(C)(C)OC(=O)C1(NCc2csc([N+](=O)[O-])c2)CCCC1 ZINC000533515029 459245622 /nfs/dbraw/zinc/24/56/22/459245622.db2.gz AYVKJTFWESBINW-UHFFFAOYSA-N 0 0 326.418 3.400 10 5 EGBERN COc1ccc(CC(=O)N[C@@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000590888860 459259909 /nfs/dbraw/zinc/25/99/09/459259909.db2.gz PWADPFYNJONBCB-ZDUSSCGKSA-N 0 0 328.368 3.332 10 5 EGBERN O=C(NCCCC(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559470099 459262177 /nfs/dbraw/zinc/26/21/77/459262177.db2.gz HYXVXVBDTCDVME-UHFFFAOYSA-N 0 0 331.294 3.005 10 5 EGBERN C[C@@H]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000481611830 459266428 /nfs/dbraw/zinc/26/64/28/459266428.db2.gz SNWBCMBVPPDNEJ-NFAWXSAZSA-N 0 0 340.445 3.087 10 5 EGBERN Cc1noc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000595294191 459269281 /nfs/dbraw/zinc/26/92/81/459269281.db2.gz WGHXNQNXJZWQOC-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000595473383 459315438 /nfs/dbraw/zinc/31/54/38/459315438.db2.gz BICSWIXBMOGORW-UHFFFAOYSA-N 0 0 337.379 3.426 10 5 EGBERN CN(C[C@H]1CCc2ccccc21)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595477446 459316758 /nfs/dbraw/zinc/31/67/58/459316758.db2.gz SXVSMBMUGUNSAC-MRXNPFEDSA-N 0 0 339.395 3.466 10 5 EGBERN C[C@@]1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000595516782 459331568 /nfs/dbraw/zinc/33/15/68/459331568.db2.gz BCLQOZVMNYQMFL-HNNXBMFYSA-N 0 0 341.358 3.262 10 5 EGBERN CCc1nnc([C@@H](C)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519751 459332087 /nfs/dbraw/zinc/33/20/87/459332087.db2.gz CCDWIPVCKZDLEF-TZMCWYRMSA-N 0 0 329.404 3.216 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595520247 459333262 /nfs/dbraw/zinc/33/32/62/459333262.db2.gz OLTNTOJBRBUBDC-OAHLLOKOSA-N 0 0 349.431 3.032 10 5 EGBERN C[C@]1(C2CC2)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627203 459374750 /nfs/dbraw/zinc/37/47/50/459374750.db2.gz WWMXDRSKOMDROW-GOSISDBHSA-N 0 0 343.383 3.251 10 5 EGBERN Cc1noc(CN(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634536 459377308 /nfs/dbraw/zinc/37/73/08/459377308.db2.gz BUGDYKPSNUNIJB-HNNXBMFYSA-N 0 0 345.399 3.461 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)Nc2cccc(Cl)c2)n1 ZINC000541006729 459418233 /nfs/dbraw/zinc/41/82/33/459418233.db2.gz URMBQDYMVDICFH-UHFFFAOYSA-N 0 0 348.790 3.335 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761850 459429940 /nfs/dbraw/zinc/42/99/40/459429940.db2.gz XUKILLKYRHBPTB-QGZVFWFLSA-N 0 0 334.322 3.447 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595773443 459434750 /nfs/dbraw/zinc/43/47/50/459434750.db2.gz MJSKVRQJVMVIJO-HRCADAONSA-N 0 0 331.416 3.215 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595782790 459438171 /nfs/dbraw/zinc/43/81/71/459438171.db2.gz MDWXEGGZLOLKQD-RCBQFDQVSA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@H](NC(=O)NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595786060 459439453 /nfs/dbraw/zinc/43/94/53/459439453.db2.gz ZAJGPSYDNOMOCD-JSGCOSHPSA-N 0 0 327.331 3.390 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ccon2)CC1 ZINC000595827322 459454849 /nfs/dbraw/zinc/45/48/49/459454849.db2.gz CKDIYBRKBQJGBC-UHFFFAOYSA-N 0 0 331.372 3.361 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@H](C4CC4)C3)o2)c1 ZINC000485697912 459465418 /nfs/dbraw/zinc/46/54/18/459465418.db2.gz QXZUNILDLOJLJA-SFHVURJKSA-N 0 0 328.368 3.466 10 5 EGBERN C[C@@H]1C[C@@H](C)N1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066230 459508844 /nfs/dbraw/zinc/50/88/44/459508844.db2.gz GGKUHDDSCMCOOI-RKDXNWHRSA-N 0 0 346.168 3.182 10 5 EGBERN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000595923516 459487105 /nfs/dbraw/zinc/48/71/05/459487105.db2.gz XXQMODHGGKSHGD-RMLUDKJBSA-N 0 0 336.285 3.118 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCc1cnc(C3CC3)nc1)CCCC2 ZINC000591926152 459487885 /nfs/dbraw/zinc/48/78/85/459487885.db2.gz ZRUAYASIVVQCQI-UHFFFAOYSA-N 0 0 339.399 3.191 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCCc2n[nH]cc2C1 ZINC000596000570 459492689 /nfs/dbraw/zinc/49/26/89/459492689.db2.gz CMBXVQDIKXTULG-UHFFFAOYSA-N 0 0 337.177 3.033 10 5 EGBERN CCOC(=O)c1ccnc(N2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000591997538 459508845 /nfs/dbraw/zinc/50/88/45/459508845.db2.gz AGYDLRDCIFTDJL-CQSZACIVSA-N 0 0 333.388 3.326 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000592005677 459510010 /nfs/dbraw/zinc/51/00/10/459510010.db2.gz DKCBAZHEGWMORM-ZJUUUORDSA-N 0 0 325.340 3.051 10 5 EGBERN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592046212 459515958 /nfs/dbraw/zinc/51/59/58/459515958.db2.gz JUYZMQSBUUTGNL-SNVBAGLBSA-N 0 0 329.347 3.420 10 5 EGBERN CC(C)[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC12CC=CC2 ZINC000592104356 459524829 /nfs/dbraw/zinc/52/48/29/459524829.db2.gz UBKYYGYPPDLWOK-ZDUSSCGKSA-N 0 0 342.442 3.022 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CCC(F)CC1 ZINC000592110458 459526444 /nfs/dbraw/zinc/52/64/44/459526444.db2.gz CSUPAIIIIYJYNQ-UHFFFAOYSA-N 0 0 337.395 3.307 10 5 EGBERN CC[C@H](C)[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124581 459528900 /nfs/dbraw/zinc/52/89/00/459528900.db2.gz WVAOFCDENWDEEH-BJOHPYRUSA-N 0 0 344.795 3.244 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000583393259 459531633 /nfs/dbraw/zinc/53/16/33/459531633.db2.gz BQNFGMJTEMBVSH-GOSISDBHSA-N 0 0 343.358 3.375 10 5 EGBERN COC(=O)c1c(Cl)c(SC2CCOCC2)ccc1[N+](=O)[O-] ZINC000596174784 459548540 /nfs/dbraw/zinc/54/85/40/459548540.db2.gz HQFGNLYVDORSRI-UHFFFAOYSA-N 0 0 331.777 3.306 10 5 EGBERN Cc1ccc(NC(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592210842 459550454 /nfs/dbraw/zinc/55/04/54/459550454.db2.gz FBNYHQARAWNXMM-INIZCTEOSA-N 0 0 347.415 3.378 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)c1 ZINC000596192791 459556160 /nfs/dbraw/zinc/55/61/60/459556160.db2.gz JIZQRMVOCRQLGG-AWEZNQCLSA-N 0 0 339.395 3.304 10 5 EGBERN CO[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000596203508 459559801 /nfs/dbraw/zinc/55/98/01/459559801.db2.gz OLDBHMTYQHXTSP-SKDRFNHKSA-N 0 0 329.194 3.219 10 5 EGBERN COc1cc(NCCc2csc(=O)[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC000596208004 459560464 /nfs/dbraw/zinc/56/04/64/459560464.db2.gz UXCMGWWVKZQEDV-UHFFFAOYSA-N 0 0 329.765 3.074 10 5 EGBERN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[C@@H]1C ZINC000596247682 459574002 /nfs/dbraw/zinc/57/40/02/459574002.db2.gz KQAWAQYXWUCGOT-RNFRBKRXSA-N 0 0 325.237 3.489 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000596259515 459577717 /nfs/dbraw/zinc/57/77/17/459577717.db2.gz UROJPNMTMOXTJN-LLVKDONJSA-N 0 0 340.763 3.016 10 5 EGBERN COc1cc(C(C)=O)cc(OC)c1OCc1csc([N+](=O)[O-])c1 ZINC000592362435 459580612 /nfs/dbraw/zinc/58/06/12/459580612.db2.gz WKMJLIGGNNCWHR-UHFFFAOYSA-N 0 0 337.353 3.455 10 5 EGBERN COc1cc(N2CCC[C@H](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596279090 459582979 /nfs/dbraw/zinc/58/29/79/459582979.db2.gz PFEMHNLFGQPVRP-NSHDSACASA-N 0 0 328.796 3.246 10 5 EGBERN O=C1CC(C2CCCC2)CC(=O)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000596305849 459590376 /nfs/dbraw/zinc/59/03/76/459590376.db2.gz BCWAKMFSPUUQBY-UHFFFAOYSA-N 0 0 334.347 3.189 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](c4ccccn4)C3)c2c1 ZINC000596307515 459590781 /nfs/dbraw/zinc/59/07/81/459590781.db2.gz ZHOIORRTBIWENV-CYBMUJFWSA-N 0 0 335.367 3.317 10 5 EGBERN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000596307855 459591252 /nfs/dbraw/zinc/59/12/52/459591252.db2.gz PNFGFEZHLIHYCH-VIFPVBQESA-N 0 0 343.225 3.037 10 5 EGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@@H]1CCOC1 ZINC000596318726 459595317 /nfs/dbraw/zinc/59/53/17/459595317.db2.gz QCHMPNBPQVIDBS-WBMJQRKESA-N 0 0 338.404 3.236 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(COC[C@@H]2CCOC2)no1 ZINC000592418582 459597411 /nfs/dbraw/zinc/59/74/11/459597411.db2.gz XCVTUKWHGVRULX-CEFACKQISA-N 0 0 345.355 3.091 10 5 EGBERN C[C@H](O)[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984959 459606879 /nfs/dbraw/zinc/60/68/79/459606879.db2.gz UCVHAPYQYXACBU-LSKLOWJMSA-N 0 0 330.359 3.433 10 5 EGBERN Cc1ncc([N+](=O)[O-])c(OCC(=O)Cc2ccc(Cl)cc2)c1C ZINC000583946156 459623565 /nfs/dbraw/zinc/62/35/65/459623565.db2.gz RKOVZUCJHVXYPT-UHFFFAOYSA-N 0 0 334.759 3.451 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cscn1 ZINC000596430834 459634591 /nfs/dbraw/zinc/63/45/91/459634591.db2.gz KEANQXRUHSVLLW-LLVKDONJSA-N 0 0 346.412 3.460 10 5 EGBERN CC(C)(C)OC(=O)CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000596449474 459640613 /nfs/dbraw/zinc/64/06/13/459640613.db2.gz BHMWCEUGDZRZAD-UHFFFAOYSA-N 0 0 335.404 3.328 10 5 EGBERN CCc1nn(C)c(N2CC[C@@](C)(c3cccc(OC)c3)C2)c1[N+](=O)[O-] ZINC000596484284 459652969 /nfs/dbraw/zinc/65/29/69/459652969.db2.gz UGHNDGRVWOPPJQ-GOSISDBHSA-N 0 0 344.415 3.067 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000596484647 459653084 /nfs/dbraw/zinc/65/30/84/459653084.db2.gz WVVQRLOAQMNNHN-SFHVURJKSA-N 0 0 344.415 3.296 10 5 EGBERN COC(=O)C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000596493486 459656321 /nfs/dbraw/zinc/65/63/21/459656321.db2.gz SBXGUFMGZVUKIZ-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000592659931 459656734 /nfs/dbraw/zinc/65/67/34/459656734.db2.gz DEROMVLDHRAAMO-WOSRLPQWSA-N 0 0 348.399 3.096 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([C@@H]4CCCCO4)C3)nc2c1 ZINC000596502029 459659043 /nfs/dbraw/zinc/65/90/43/459659043.db2.gz GAIZVPHSCMBGSK-WBMJQRKESA-N 0 0 330.388 3.257 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000596513285 459662128 /nfs/dbraw/zinc/66/21/28/459662128.db2.gz UFQHTGHATNQFAI-VXGBXAGGSA-N 0 0 327.178 3.073 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@H]3C[C@@H](O)C34CCC4)n2)cc1 ZINC000596515548 459662938 /nfs/dbraw/zinc/66/29/38/459662938.db2.gz ZKKFIXAQLDZWNU-UONOGXRCSA-N 0 0 331.397 3.434 10 5 EGBERN CC(C)[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccccc1 ZINC000596517593 459663882 /nfs/dbraw/zinc/66/38/82/459663882.db2.gz PCZACUDKBYIPEH-SJORKVTESA-N 0 0 333.363 3.486 10 5 EGBERN CNC(=O)CC1(CNc2nc(C)cc(C)c2[N+](=O)[O-])CCCCC1 ZINC000596524267 459666030 /nfs/dbraw/zinc/66/60/30/459666030.db2.gz VEGFUXYTXPPRAF-UHFFFAOYSA-N 0 0 334.420 3.105 10 5 EGBERN C[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000573417343 459672485 /nfs/dbraw/zinc/67/24/85/459672485.db2.gz DTMALOAMFIDWMM-CYBMUJFWSA-N 0 0 342.399 3.326 10 5 EGBERN COc1cc(C(=O)NCC2CCC(F)CC2)c([N+](=O)[O-])cc1F ZINC000592720015 459675937 /nfs/dbraw/zinc/67/59/37/459675937.db2.gz DVVAJXNMGDNEIR-UHFFFAOYSA-N 0 0 328.315 3.001 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000543629299 459676966 /nfs/dbraw/zinc/67/69/66/459676966.db2.gz MKUIAZYUTZHYAH-CQSZACIVSA-N 0 0 332.322 3.447 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592734192 459679086 /nfs/dbraw/zinc/67/90/86/459679086.db2.gz HRPXGJDKJJSASJ-OPRDCNLKSA-N 0 0 326.299 3.115 10 5 EGBERN COC(=O)c1cc(N[C@H](c2ccccc2)[C@@H](C)O)cc(C)c1[N+](=O)[O-] ZINC000596567113 459679381 /nfs/dbraw/zinc/67/93/81/459679381.db2.gz OUDBRAMKSRURNQ-WBMJQRKESA-N 0 0 344.367 3.224 10 5 EGBERN COC(=O)c1cnc([C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)s1 ZINC000596569366 459680292 /nfs/dbraw/zinc/68/02/92/459680292.db2.gz JJCXCVWPBWGLBW-LLVKDONJSA-N 0 0 347.396 3.222 10 5 EGBERN CCOc1cccc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000596572158 459681158 /nfs/dbraw/zinc/68/11/58/459681158.db2.gz CIWJBSRVNGNXPL-ZUZCIYMTSA-N 0 0 330.331 3.242 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](OC)C3CCCC3)n2)c1 ZINC000596592705 459688576 /nfs/dbraw/zinc/68/85/76/459688576.db2.gz NTDPASVDFSBPHN-MRXNPFEDSA-N 0 0 347.371 3.455 10 5 EGBERN CO[C@H]1CC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000596591955 459688940 /nfs/dbraw/zinc/68/89/40/459688940.db2.gz QTLZVZZQUKKTBS-MFKMUULPSA-N 0 0 342.355 3.332 10 5 EGBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1nccs1 ZINC000573550534 459694306 /nfs/dbraw/zinc/69/43/06/459694306.db2.gz WSGFFSPMEIQNLG-UHFFFAOYSA-N 0 0 335.388 3.414 10 5 EGBERN Cc1c(NC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000596636305 459708638 /nfs/dbraw/zinc/70/86/38/459708638.db2.gz SUAJJCLYBNMZDM-HDICACEKSA-N 0 0 345.399 3.328 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3nc(C)cn3c2)c1 ZINC000543899708 459710913 /nfs/dbraw/zinc/71/09/13/459710913.db2.gz JPDVPWKFPAZYCV-UHFFFAOYSA-N 0 0 326.312 3.081 10 5 EGBERN CC(=O)N1CCCc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc21 ZINC000596647385 459712547 /nfs/dbraw/zinc/71/25/47/459712547.db2.gz IMKHCYPJXFUAQD-UHFFFAOYSA-N 0 0 340.379 3.096 10 5 EGBERN COc1cc(OC(F)F)ccc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000596647586 459713418 /nfs/dbraw/zinc/71/34/18/459713418.db2.gz QOZFAPDVCYDSGG-UHFFFAOYSA-N 0 0 339.294 3.407 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000592898782 459715835 /nfs/dbraw/zinc/71/58/35/459715835.db2.gz ADXSEGFFFBSFGA-HNNXBMFYSA-N 0 0 332.404 3.087 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC12CC=CC2 ZINC000592902988 459716860 /nfs/dbraw/zinc/71/68/60/459716860.db2.gz SHWIWRULCXSXPC-INIZCTEOSA-N 0 0 344.367 3.140 10 5 EGBERN O=C([O-])[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658779 459717717 /nfs/dbraw/zinc/71/77/17/459717717.db2.gz VBKVWZHFRVSZQC-UAGQMJEPSA-N 0 0 346.427 3.397 10 5 EGBERN COc1c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000592904005 459718520 /nfs/dbraw/zinc/71/85/20/459718520.db2.gz YJCSKCGKOYHSFQ-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN Cc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000592970102 459725271 /nfs/dbraw/zinc/72/52/71/459725271.db2.gz BIICBJOUMHNJAQ-QGZVFWFLSA-N 0 0 343.383 3.316 10 5 EGBERN Cc1nn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C(F)(F)F ZINC000592990191 459732851 /nfs/dbraw/zinc/73/28/51/459732851.db2.gz XMUFSMGNZXECFH-UHFFFAOYSA-N 0 0 343.261 3.033 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593010211 459738394 /nfs/dbraw/zinc/73/83/94/459738394.db2.gz IRUVPRSHXLYLIR-SNVBAGLBSA-N 0 0 332.335 3.083 10 5 EGBERN CC[C@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593019903 459742559 /nfs/dbraw/zinc/74/25/59/459742559.db2.gz RWVZQNJYLRMNRG-INIZCTEOSA-N 0 0 349.412 3.253 10 5 EGBERN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593022695 459743100 /nfs/dbraw/zinc/74/31/00/459743100.db2.gz IIUKTWSYJHNAHP-GFCCVEGCSA-N 0 0 335.385 3.079 10 5 EGBERN C[C@@H](C(=O)Nc1cccc(CCCO)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544589775 459770615 /nfs/dbraw/zinc/77/06/15/459770615.db2.gz XOZUWLHMXBMFJW-GFCCVEGCSA-N 0 0 346.358 3.401 10 5 EGBERN O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1Sc1ccc(Br)cc1 ZINC000584661175 459779381 /nfs/dbraw/zinc/77/93/81/459779381.db2.gz MQGJJXTWLFUIIP-UHFFFAOYSA-N 0 0 345.134 3.140 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593124623 459780197 /nfs/dbraw/zinc/78/01/97/459780197.db2.gz UIMHAWXQBWMJIV-CYBMUJFWSA-N 0 0 326.368 3.286 10 5 EGBERN Cc1ccncc1CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000596866343 459782192 /nfs/dbraw/zinc/78/21/92/459782192.db2.gz LZFDJJBXFRBXII-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC000596882479 459787088 /nfs/dbraw/zinc/78/70/88/459787088.db2.gz BONHDPIINCRZJW-GFCCVEGCSA-N 0 0 341.358 3.420 10 5 EGBERN CCn1nccc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899722 459790087 /nfs/dbraw/zinc/79/00/87/459790087.db2.gz RMNLPFBEGCINSD-UHFFFAOYSA-N 0 0 345.403 3.430 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000596899194 459790238 /nfs/dbraw/zinc/79/02/38/459790238.db2.gz DZPRUJLTJDBMLD-SGTLLEGYSA-N 0 0 347.415 3.393 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000596899195 459790344 /nfs/dbraw/zinc/79/03/44/459790344.db2.gz DZPRUJLTJDBMLD-XIKOKIGWSA-N 0 0 347.415 3.393 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC(C)(C)C ZINC000584723530 459790871 /nfs/dbraw/zinc/79/08/71/459790871.db2.gz QQQOBQUXIZCUDF-IUODEOHRSA-N 0 0 348.399 3.035 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593219179 459811071 /nfs/dbraw/zinc/81/10/71/459811071.db2.gz OQNKHHRYDBZSMW-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000593222396 459811946 /nfs/dbraw/zinc/81/19/46/459811946.db2.gz IPPOYHODEIOCSA-IUODEOHRSA-N 0 0 348.399 3.238 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000593239122 459817103 /nfs/dbraw/zinc/81/71/03/459817103.db2.gz AJQTWLSKXMHCAT-UHFFFAOYSA-N 0 0 344.346 3.483 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2ccc3ccn(C)c3c2)c1[N+](=O)[O-] ZINC000574423303 459818192 /nfs/dbraw/zinc/81/81/92/459818192.db2.gz QDVXQWUDOURDIO-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593253129 459820815 /nfs/dbraw/zinc/82/08/15/459820815.db2.gz QPCFNDKKAYDBQQ-CYBMUJFWSA-N 0 0 331.347 3.299 10 5 EGBERN CC[C@@H](OCCNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593253651 459821214 /nfs/dbraw/zinc/82/12/14/459821214.db2.gz VUBCXXJYFMNJJB-QGZVFWFLSA-N 0 0 328.368 3.493 10 5 EGBERN CCOc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nc1C ZINC000597128810 459845494 /nfs/dbraw/zinc/84/54/94/459845494.db2.gz LMCPUXJFYRGZAU-UHFFFAOYSA-N 0 0 344.371 3.061 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298954 459853116 /nfs/dbraw/zinc/85/31/16/459853116.db2.gz YNLUPKLSUBAOOH-IJEWVQPXSA-N 0 0 334.416 3.189 10 5 EGBERN CC(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000585814434 459855554 /nfs/dbraw/zinc/85/55/54/459855554.db2.gz SEHFMKDNQXDAFK-UHFFFAOYSA-N 0 0 346.726 3.407 10 5 EGBERN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593348577 459856095 /nfs/dbraw/zinc/85/60/95/459856095.db2.gz OZPIPKXLTCIETE-QGZVFWFLSA-N 0 0 349.431 3.128 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000598321651 459864036 /nfs/dbraw/zinc/86/40/36/459864036.db2.gz YFQGXWYNNUFOAJ-ZWNOBZJWSA-N 0 0 346.305 3.003 10 5 EGBERN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593373428 459870351 /nfs/dbraw/zinc/87/03/51/459870351.db2.gz RBZQPVKAGZFALQ-HIFRSBDPSA-N 0 0 335.404 3.175 10 5 EGBERN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593373427 459870420 /nfs/dbraw/zinc/87/04/20/459870420.db2.gz RBZQPVKAGZFALQ-DZGCQCFKSA-N 0 0 335.404 3.175 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598339619 459871535 /nfs/dbraw/zinc/87/15/35/459871535.db2.gz AVUVDQFUECRGNB-PRHODGIISA-N 0 0 330.306 3.245 10 5 EGBERN Cc1oc2ccccc2c1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000545925135 459872774 /nfs/dbraw/zinc/87/27/74/459872774.db2.gz KGTWYOSEXVSFCV-UHFFFAOYSA-N 0 0 325.324 3.017 10 5 EGBERN C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[C@H]1O ZINC000597206200 459876451 /nfs/dbraw/zinc/87/64/51/459876451.db2.gz RIKYCTFQDNHBAI-ATCWAGBWSA-N 0 0 347.440 3.167 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC000598354637 459877029 /nfs/dbraw/zinc/87/70/29/459877029.db2.gz YBMRGTJDOPFJPI-FUHWJXTLSA-N 0 0 342.395 3.391 10 5 EGBERN O=[N+]([O-])c1ncccc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000608779277 459881602 /nfs/dbraw/zinc/88/16/02/459881602.db2.gz OKGDCHDKQUSALF-UHFFFAOYSA-N 0 0 328.303 3.439 10 5 EGBERN CC(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598382286 459884378 /nfs/dbraw/zinc/88/43/78/459884378.db2.gz XRLGWVLZAPGTLU-UHFFFAOYSA-N 0 0 340.383 3.089 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccon3)CC2)c1 ZINC000598401494 459891172 /nfs/dbraw/zinc/89/11/72/459891172.db2.gz UTYBLUZQHPMPOB-UHFFFAOYSA-N 0 0 347.396 3.325 10 5 EGBERN COc1ccc(CC[C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587520860 459892884 /nfs/dbraw/zinc/89/28/84/459892884.db2.gz NVYYHSJVSHUYQF-LBPRGKRZSA-N 0 0 345.399 3.111 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000608889048 459893263 /nfs/dbraw/zinc/89/32/63/459893263.db2.gz CKDIBKCOAHQVKW-UHFFFAOYSA-N 0 0 346.836 3.367 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(Cc2ccco2)CC1 ZINC000593454591 459893409 /nfs/dbraw/zinc/89/34/09/459893409.db2.gz IJTIZCUTBGLSJT-UHFFFAOYSA-N 0 0 338.367 3.058 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462396 459896350 /nfs/dbraw/zinc/89/63/50/459896350.db2.gz VWPJYNNZYJNFHW-CHWSQXEVSA-N 0 0 342.399 3.202 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000587972376 459897017 /nfs/dbraw/zinc/89/70/17/459897017.db2.gz SSJNZBMJQATMTF-OAHLLOKOSA-N 0 0 341.367 3.493 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000587985493 459898095 /nfs/dbraw/zinc/89/80/95/459898095.db2.gz KQENEGUFDCNQNZ-KSSFIOAISA-N 0 0 341.367 3.227 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@]12CCCO2 ZINC000593468352 459899403 /nfs/dbraw/zinc/89/94/03/459899403.db2.gz SENLYUZBUOFXKA-RCCFBDPRSA-N 0 0 343.383 3.282 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H]2CCCC3(CC3)C2)cc([N+](=O)[O-])c1 ZINC000597264027 459900355 /nfs/dbraw/zinc/90/03/55/459900355.db2.gz APHIXUFEXUKUQR-NSHDSACASA-N 0 0 332.356 3.290 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCOC1(C)C ZINC000598452686 459902475 /nfs/dbraw/zinc/90/24/75/459902475.db2.gz AKXYBCHXQHCMTQ-NWDGAFQWSA-N 0 0 338.429 3.007 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](CCF)C1 ZINC000597286942 459904050 /nfs/dbraw/zinc/90/40/50/459904050.db2.gz BEAJFVCGPQVSSS-ZDUSSCGKSA-N 0 0 347.394 3.449 10 5 EGBERN CC[C@H](OCCNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccccc1 ZINC000593489686 459904990 /nfs/dbraw/zinc/90/49/90/459904990.db2.gz WOVUDGLRWWKHSF-INIZCTEOSA-N 0 0 343.383 3.274 10 5 EGBERN CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609122133 459905673 /nfs/dbraw/zinc/90/56/73/459905673.db2.gz NIXPWNBYYYBZIW-QWRGUYRKSA-N 0 0 332.447 3.294 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)[C@]12CCC[C@H]1OCC2 ZINC000602381797 459909017 /nfs/dbraw/zinc/90/90/17/459909017.db2.gz IRWFVDBOZITUFK-WBVHZDCISA-N 0 0 327.340 3.041 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000609140969 459909783 /nfs/dbraw/zinc/90/97/83/459909783.db2.gz FHELWFJCJGESAJ-VIFPVBQESA-N 0 0 339.307 3.033 10 5 EGBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598506899 459924939 /nfs/dbraw/zinc/92/49/39/459924939.db2.gz HJDKOMJPSLAHCH-JQWIXIFHSA-N 0 0 346.305 3.085 10 5 EGBERN CC[C@@H](NC(=O)C[C@@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000597352900 459926039 /nfs/dbraw/zinc/92/60/39/459926039.db2.gz ZFKZAKRBRFAKIZ-CZUORRHYSA-N 0 0 330.388 3.318 10 5 EGBERN Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598509337 459926095 /nfs/dbraw/zinc/92/60/95/459926095.db2.gz SPVWZZBXRKUBBC-GHMZBOCLSA-N 0 0 346.305 3.085 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000588180605 459927879 /nfs/dbraw/zinc/92/78/79/459927879.db2.gz CLXCDFGVGIYWEQ-SNVBAGLBSA-N 0 0 336.241 3.114 10 5 EGBERN CCCC[C@@H](C)N(CCCC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593602199 459931164 /nfs/dbraw/zinc/93/11/64/459931164.db2.gz LZTZKOFGZMYRPE-CYBMUJFWSA-N 0 0 343.449 3.359 10 5 EGBERN C[C@H](O)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598539938 459933478 /nfs/dbraw/zinc/93/34/78/459933478.db2.gz MUGKNPRSAFSPAD-PRXAMGSTSA-N 0 0 346.358 3.076 10 5 EGBERN COCC1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000598550344 459934343 /nfs/dbraw/zinc/93/43/43/459934343.db2.gz GZKYFMWIXUPNNA-JKSUJKDBSA-N 0 0 332.400 3.164 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC2CC1(c1ccccc1)C2 ZINC000598553733 459934787 /nfs/dbraw/zinc/93/47/87/459934787.db2.gz BATQKOULYHGLHI-UHFFFAOYSA-N 0 0 348.362 3.232 10 5 EGBERN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC1(F)F ZINC000588232730 459935292 /nfs/dbraw/zinc/93/52/92/459935292.db2.gz ZPQHPXYSOBTHBQ-GWCFXTLKSA-N 0 0 327.331 3.089 10 5 EGBERN CC1=CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597406174 459941460 /nfs/dbraw/zinc/94/14/60/459941460.db2.gz BJBHDNDYYDMOSJ-UHFFFAOYSA-N 0 0 339.399 3.420 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1F)[C@H](C)O ZINC000593660033 459943487 /nfs/dbraw/zinc/94/34/87/459943487.db2.gz YXALXXPMWLGFRP-KPZWWZAWSA-N 0 0 348.374 3.344 10 5 EGBERN CC(C)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CC(F)(F)F ZINC000598581068 459950934 /nfs/dbraw/zinc/95/09/34/459950934.db2.gz IBINCLNFHSYIHN-UHFFFAOYSA-N 0 0 348.277 3.032 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4cccnc4)CC3)nc2c1 ZINC000618295017 459961786 /nfs/dbraw/zinc/96/17/86/459961786.db2.gz CQJQYEXGMSNFAA-UHFFFAOYSA-N 0 0 337.383 3.246 10 5 EGBERN O=C(c1onc2c1CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597466767 459962988 /nfs/dbraw/zinc/96/29/88/459962988.db2.gz GIYGYEKWDQVIGR-UHFFFAOYSA-N 0 0 341.367 3.266 10 5 EGBERN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000597480516 459969240 /nfs/dbraw/zinc/96/92/40/459969240.db2.gz PKOWNVVHLOCEDL-XHDPSFHLSA-N 0 0 340.807 3.112 10 5 EGBERN COC(=O)c1ccnc(N2CC(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000598632264 459970101 /nfs/dbraw/zinc/97/01/01/459970101.db2.gz CKJGXAFPMREGOP-UHFFFAOYSA-N 0 0 347.758 3.034 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CC2(F)F)nc1OCc1ccccc1 ZINC000598638711 459973515 /nfs/dbraw/zinc/97/35/15/459973515.db2.gz NSRQTXWWWVEZSU-ZDUSSCGKSA-N 0 0 349.337 3.448 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000588840110 459989656 /nfs/dbraw/zinc/98/96/56/459989656.db2.gz GTQCFUQOERGTSI-JJRVBVJISA-N 0 0 336.436 3.030 10 5 EGBERN CCc1ccncc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593856736 460004472 /nfs/dbraw/zinc/00/44/72/460004472.db2.gz NZFCJBHSLJLBDW-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000588932541 460006901 /nfs/dbraw/zinc/00/69/01/460006901.db2.gz LDJRCIZAKCDZES-YVEFUNNKSA-N 0 0 346.333 3.163 10 5 EGBERN CCO[C@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1ccccc1 ZINC000618436794 460009781 /nfs/dbraw/zinc/00/97/81/460009781.db2.gz GRQJMJMXQCAROT-AWEZNQCLSA-N 0 0 326.312 3.166 10 5 EGBERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758020 460015129 /nfs/dbraw/zinc/01/51/29/460015129.db2.gz GWIMJIYGDLIVLQ-DOMZBBRYSA-N 0 0 343.383 3.040 10 5 EGBERN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758022 460015277 /nfs/dbraw/zinc/01/52/77/460015277.db2.gz GWIMJIYGDLIVLQ-SWLSCSKDSA-N 0 0 343.383 3.040 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000597697669 460032509 /nfs/dbraw/zinc/03/25/09/460032509.db2.gz YQQDTSKDMYYORA-ZDUSSCGKSA-N 0 0 341.367 3.018 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000597697668 460032736 /nfs/dbraw/zinc/03/27/36/460032736.db2.gz YQQDTSKDMYYORA-CYBMUJFWSA-N 0 0 341.367 3.018 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(C2CC2)no1 ZINC000597728322 460040968 /nfs/dbraw/zinc/04/09/68/460040968.db2.gz UUXIRIWLWARYCJ-UHFFFAOYSA-N 0 0 344.371 3.462 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000609978837 460044323 /nfs/dbraw/zinc/04/43/23/460044323.db2.gz NZHXDPCRFVYQCQ-LLVKDONJSA-N 0 0 329.331 3.197 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@H](C)n2cccc2)c([N+](=O)[O-])c1 ZINC000610052231 460055759 /nfs/dbraw/zinc/05/57/59/460055759.db2.gz GEBMJPGBGSLIHA-HNNXBMFYSA-N 0 0 344.415 3.274 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594053972 460075898 /nfs/dbraw/zinc/07/58/98/460075898.db2.gz FUBIBPVTJAUURA-JKSUJKDBSA-N 0 0 349.387 3.073 10 5 EGBERN CO[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000618587946 460076459 /nfs/dbraw/zinc/07/64/59/460076459.db2.gz DYWIGMOJEPLWIK-OAHLLOKOSA-N 0 0 346.774 3.346 10 5 EGBERN Cc1ccnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C1CC1 ZINC000598871167 460077224 /nfs/dbraw/zinc/07/72/24/460077224.db2.gz CVQAHCUVHRZYQI-UHFFFAOYSA-N 0 0 341.323 3.157 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000597846232 460079194 /nfs/dbraw/zinc/07/91/94/460079194.db2.gz OIBBOGPWHRXZOJ-OAHLLOKOSA-N 0 0 348.424 3.454 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C2CCOCC2)C1 ZINC000589372956 460081311 /nfs/dbraw/zinc/08/13/11/460081311.db2.gz YXFUPVVFJTVVCL-UHFFFAOYSA-N 0 0 333.388 3.048 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC(OC)C1 ZINC000597861361 460082519 /nfs/dbraw/zinc/08/25/19/460082519.db2.gz KXEJVERFNNOONI-CKDBGZEDSA-N 0 0 334.416 3.095 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000597862077 460084080 /nfs/dbraw/zinc/08/40/80/460084080.db2.gz ATOJDQSYVPSCMM-LLVKDONJSA-N 0 0 333.775 3.106 10 5 EGBERN CC(C)Oc1cncc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000594067583 460084791 /nfs/dbraw/zinc/08/47/91/460084791.db2.gz OYWOOVUAGVDKFT-SNVBAGLBSA-N 0 0 348.334 3.053 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000594069802 460085972 /nfs/dbraw/zinc/08/59/72/460085972.db2.gz RFQCSFVNKSSMHY-IAGOWNOFSA-N 0 0 346.427 3.336 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc2c1CCCC2 ZINC000597870126 460087702 /nfs/dbraw/zinc/08/77/02/460087702.db2.gz LRUVAXNSCXJHGO-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000594078276 460090570 /nfs/dbraw/zinc/09/05/70/460090570.db2.gz GWCAHNXROMBANN-UHFFFAOYSA-N 0 0 349.368 3.259 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594079051 460091141 /nfs/dbraw/zinc/09/11/41/460091141.db2.gz QSRUQPAAHIHNQV-GXTWGEPZSA-N 0 0 337.376 3.073 10 5 EGBERN CCOc1ccc(C(=O)N[C@](C)(CC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000610247523 460096046 /nfs/dbraw/zinc/09/60/46/460096046.db2.gz WWIKLWOCKATLPQ-CYBMUJFWSA-N 0 0 334.294 3.454 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCCC3)CC2)s1 ZINC000610267878 460101400 /nfs/dbraw/zinc/10/14/00/460101400.db2.gz NKTFPBZGGQDUQP-UHFFFAOYSA-N 0 0 344.458 3.247 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000598960853 460103757 /nfs/dbraw/zinc/10/37/57/460103757.db2.gz GLYYQAJWWNYXGK-QGZVFWFLSA-N 0 0 340.383 3.330 10 5 EGBERN COc1c(C)cccc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594108259 460104390 /nfs/dbraw/zinc/10/43/90/460104390.db2.gz ZHUBKHBONDMTBS-ZDUSSCGKSA-N 0 0 328.368 3.332 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000597922009 460112463 /nfs/dbraw/zinc/11/24/63/460112463.db2.gz YFGPMNYZHVMGBZ-CYBMUJFWSA-N 0 0 338.429 3.008 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCO[C@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000597925706 460113730 /nfs/dbraw/zinc/11/37/30/460113730.db2.gz PXFMGQYZUYLIJE-SFHVURJKSA-N 0 0 348.399 3.023 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598998753 460122976 /nfs/dbraw/zinc/12/29/76/460122976.db2.gz WQSQRCRKVHTSPD-UHFFFAOYSA-N 0 0 341.367 3.370 10 5 EGBERN COc1ccc(CS(=O)(=O)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000618670815 460123615 /nfs/dbraw/zinc/12/36/15/460123615.db2.gz INTALHJRUKVTEN-QGZVFWFLSA-N 0 0 347.392 3.206 10 5 EGBERN O=C(CC1CCCC1)NC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000618676852 460123941 /nfs/dbraw/zinc/12/39/41/460123941.db2.gz GHTIEOZTMXVITK-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN Cc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000594154251 460129486 /nfs/dbraw/zinc/12/94/86/460129486.db2.gz OTASEDNJMHGNRO-AWEZNQCLSA-N 0 0 342.273 3.459 10 5 EGBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(C2CC2)C1 ZINC000589725592 460132176 /nfs/dbraw/zinc/13/21/76/460132176.db2.gz RXFZLCRZSBHLBX-UHFFFAOYSA-N 0 0 329.381 3.200 10 5 EGBERN Cc1cnc(N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000576395416 460132771 /nfs/dbraw/zinc/13/27/71/460132771.db2.gz JGOOOHMOMYGLDJ-OLZOCXBDSA-N 0 0 335.404 3.102 10 5 EGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594174632 460137080 /nfs/dbraw/zinc/13/70/80/460137080.db2.gz NKMWHPRSGKMFSS-NSHDSACASA-N 0 0 326.343 3.468 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594175632 460137451 /nfs/dbraw/zinc/13/74/51/460137451.db2.gz MCMMHALTZIEYBS-ZBFHGGJFSA-N 0 0 334.416 3.336 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599045438 460138402 /nfs/dbraw/zinc/13/84/02/460138402.db2.gz HNOLKKJIOPTYRF-OCCSQVGLSA-N 0 0 342.399 3.202 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594202380 460148089 /nfs/dbraw/zinc/14/80/89/460148089.db2.gz GIQPRDYXCSMILH-CYBMUJFWSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594205382 460150724 /nfs/dbraw/zinc/15/07/24/460150724.db2.gz BKHOMXLQFQYLIM-YESZJQIVSA-N 0 0 344.411 3.306 10 5 EGBERN CSc1ccc(C(=O)N2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598049601 460154078 /nfs/dbraw/zinc/15/40/78/460154078.db2.gz WYIXTNMIZPDOCG-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN CC(C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000599156417 460180896 /nfs/dbraw/zinc/18/08/96/460180896.db2.gz CAUGEFSJBCSRFO-HOCLYGCPSA-N 0 0 340.383 3.385 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599174472 460187508 /nfs/dbraw/zinc/18/75/08/460187508.db2.gz PJXPQQPLAKGYPY-SMDDNHRTSA-N 0 0 330.306 3.212 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(C(F)(F)F)CCCC1 ZINC000599185812 460192320 /nfs/dbraw/zinc/19/23/20/460192320.db2.gz XTHHACLLAXDXBW-UHFFFAOYSA-N 0 0 345.321 3.489 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2coc(C3CC3)n2)no1 ZINC000599197190 460196124 /nfs/dbraw/zinc/19/61/24/460196124.db2.gz YJRNZSDAKGXNQA-UHFFFAOYSA-N 0 0 328.284 3.186 10 5 EGBERN CC(C)(C)OCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598181258 460196476 /nfs/dbraw/zinc/19/64/76/460196476.db2.gz AKVFYRLTSBUOLG-UHFFFAOYSA-N 0 0 346.330 3.131 10 5 EGBERN O=C1[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C1CCC1 ZINC000599199620 460197594 /nfs/dbraw/zinc/19/75/94/460197594.db2.gz NLKQRPQXDMCSSA-GFCCVEGCSA-N 0 0 343.305 3.179 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598183465 460197664 /nfs/dbraw/zinc/19/76/64/460197664.db2.gz FJLSRVHPFUGEET-IBGZPJMESA-N 0 0 346.427 3.269 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203506 460198456 /nfs/dbraw/zinc/19/84/56/460198456.db2.gz ZPDYJEGJIIOSDQ-ITDFMYJTSA-N 0 0 338.429 3.181 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599203508 460198640 /nfs/dbraw/zinc/19/86/40/460198640.db2.gz ZPDYJEGJIIOSDQ-OOPCZODUSA-N 0 0 338.429 3.181 10 5 EGBERN Cc1sc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000594375649 460199457 /nfs/dbraw/zinc/19/94/57/460199457.db2.gz GEZNMFACTPLOFA-CQSZACIVSA-N 0 0 338.429 3.048 10 5 EGBERN Cc1cccc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1[N+](=O)[O-] ZINC000598205815 460203740 /nfs/dbraw/zinc/20/37/40/460203740.db2.gz AFQRFRDHFZTMLD-HOTGVXAUSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598209118 460204935 /nfs/dbraw/zinc/20/49/35/460204935.db2.gz QUIFVAWAVOJTPR-GRDNDAEWSA-N 0 0 331.416 3.339 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000598214286 460205944 /nfs/dbraw/zinc/20/59/44/460205944.db2.gz SQPYATDWSLFLPF-GXSJLCMTSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598211246 460206339 /nfs/dbraw/zinc/20/63/39/460206339.db2.gz DLXAQXWTWVFAKY-UNEWFSDZSA-N 0 0 334.416 3.237 10 5 EGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](CCF)C1 ZINC000598218459 460208970 /nfs/dbraw/zinc/20/89/70/460208970.db2.gz BZDMHGNOMKINQU-NSHDSACASA-N 0 0 347.346 3.060 10 5 EGBERN C[C@@]1(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000598219584 460209423 /nfs/dbraw/zinc/20/94/23/460209423.db2.gz LZSMIPHRQNKBRD-CYBMUJFWSA-N 0 0 332.734 3.342 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594410566 460209788 /nfs/dbraw/zinc/20/97/88/460209788.db2.gz JMURGPSZFQSGBS-WBVHZDCISA-N 0 0 348.399 3.022 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCC(F)(F)CC1 ZINC000594410238 460209806 /nfs/dbraw/zinc/20/98/06/460209806.db2.gz HWNNGGNOLVBLGX-SECBINFHSA-N 0 0 327.331 3.121 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594413916 460210905 /nfs/dbraw/zinc/21/09/05/460210905.db2.gz DBYVTBHUXIKSAN-GFCCVEGCSA-N 0 0 338.791 3.470 10 5 EGBERN Cc1nn(CCC(=O)N2CCC[C@H]2CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000594416896 460212008 /nfs/dbraw/zinc/21/20/08/460212008.db2.gz HEWYQVIZNCMHMN-INIZCTEOSA-N 0 0 348.447 3.370 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000598235357 460218150 /nfs/dbraw/zinc/21/81/50/460218150.db2.gz OSNDYYJWFAQPPY-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN Cc1cc(C(F)F)oc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599430160 460251271 /nfs/dbraw/zinc/25/12/71/460251271.db2.gz NIKRTIHJPVJNCT-UHFFFAOYSA-N 0 0 340.282 3.243 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610950848 460265545 /nfs/dbraw/zinc/26/55/45/460265545.db2.gz BBOWJTISRNIFHV-UHFFFAOYSA-N 0 0 332.400 3.481 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC(F)(F)C2 ZINC000610989343 460271837 /nfs/dbraw/zinc/27/18/37/460271837.db2.gz SKXLOVUKKCANBO-UHFFFAOYSA-N 0 0 339.342 3.045 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)c1ccncc1 ZINC000615200752 460292398 /nfs/dbraw/zinc/29/23/98/460292398.db2.gz MDJUVVGGZWSBSZ-LLVKDONJSA-N 0 0 333.775 3.485 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000615203152 460292405 /nfs/dbraw/zinc/29/24/05/460292405.db2.gz CWULJRXOBYUFDK-MNOVXSKESA-N 0 0 326.780 3.102 10 5 EGBERN COC(=O)[C@@](C)(NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000599642793 460295643 /nfs/dbraw/zinc/29/56/43/460295643.db2.gz KBFUKZBVZKDDBP-SFHVURJKSA-N 0 0 328.368 3.081 10 5 EGBERN COC(=O)[C@](C)(NCc1cc(C)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599644202 460297120 /nfs/dbraw/zinc/29/71/20/460297120.db2.gz UHZNBOISRNCCJN-LJQANCHMSA-N 0 0 342.395 3.390 10 5 EGBERN Cn1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1C(F)F ZINC000611158532 460298302 /nfs/dbraw/zinc/29/83/02/460298302.db2.gz FVMGXCSLUDPPHE-UHFFFAOYSA-N 0 0 344.705 3.101 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000619254984 460314517 /nfs/dbraw/zinc/31/45/17/460314517.db2.gz RWBDDQBDXARQFL-HNNXBMFYSA-N 0 0 348.424 3.454 10 5 EGBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000603512885 460314980 /nfs/dbraw/zinc/31/49/80/460314980.db2.gz UIBVBZRWCKOKJH-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cccnc3)CC2)c1 ZINC000611258443 460320426 /nfs/dbraw/zinc/32/04/26/460320426.db2.gz PPBVLEJJYCZLIK-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599786201 460333419 /nfs/dbraw/zinc/33/34/19/460333419.db2.gz JTEQMWOUGVRDEE-BJHJDKERSA-N 0 0 335.404 3.127 10 5 EGBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829076 460342977 /nfs/dbraw/zinc/34/29/77/460342977.db2.gz CTFKBIMZBJAUMT-DIFFPNOSSA-N 0 0 346.387 3.062 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599835791 460345293 /nfs/dbraw/zinc/34/52/93/460345293.db2.gz OKHZYDKORJTLRC-QGZVFWFLSA-N 0 0 344.371 3.176 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H](O)C(C)C ZINC000599838585 460346254 /nfs/dbraw/zinc/34/62/54/460346254.db2.gz KTUSZRSJACYGPJ-CZUORRHYSA-N 0 0 346.387 3.060 10 5 EGBERN CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000619434258 460355355 /nfs/dbraw/zinc/35/53/55/460355355.db2.gz RRMZJXZEDXWWQH-QFBILLFUSA-N 0 0 348.443 3.488 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1F ZINC000611494462 460376281 /nfs/dbraw/zinc/37/62/81/460376281.db2.gz RFJRIXSIPIWGKW-SWLSCSKDSA-N 0 0 335.379 3.015 10 5 EGBERN C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611505536 460380769 /nfs/dbraw/zinc/38/07/69/460380769.db2.gz CQEBYUKPIPKEKT-CMPLNLGQSA-N 0 0 344.770 3.224 10 5 EGBERN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000611515116 460384333 /nfs/dbraw/zinc/38/43/33/460384333.db2.gz AXGVVWLMBJWDLH-UHFFFAOYSA-N 0 0 346.383 3.253 10 5 EGBERN O=C1CCN1c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000619588933 460391568 /nfs/dbraw/zinc/39/15/68/460391568.db2.gz FLFCEAWJCCJLOY-UHFFFAOYSA-N 0 0 335.323 3.018 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](OC(F)F)C1 ZINC000611586102 460411770 /nfs/dbraw/zinc/41/17/70/460411770.db2.gz MFKNVCIEBLKQMV-LLVKDONJSA-N 0 0 340.282 3.185 10 5 EGBERN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)OC)c1 ZINC000600165992 460416795 /nfs/dbraw/zinc/41/67/95/460416795.db2.gz SNLQAAOEWVQEIF-QGZVFWFLSA-N 0 0 344.367 3.029 10 5 EGBERN CC(C)c1noc2ncc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000604471310 460430479 /nfs/dbraw/zinc/43/04/79/460430479.db2.gz VPUVEARMCPRAHY-UHFFFAOYSA-N 0 0 340.339 3.184 10 5 EGBERN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000604562332 460449487 /nfs/dbraw/zinc/44/94/87/460449487.db2.gz JVJFTLVDNKXFMO-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3ccccc3)C2)c1 ZINC000611764813 460455337 /nfs/dbraw/zinc/45/53/37/460455337.db2.gz KESCRSSZIDFUNO-UHFFFAOYSA-N 0 0 326.352 3.060 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000619871326 460457757 /nfs/dbraw/zinc/45/77/57/460457757.db2.gz CBNFAUQHAZDIMY-HOTGVXAUSA-N 0 0 339.395 3.449 10 5 EGBERN C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1F ZINC000600272072 460462046 /nfs/dbraw/zinc/46/20/46/460462046.db2.gz PWEXZTZWQBVTHH-UHTWSYAYSA-N 0 0 338.404 3.334 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CCCO2 ZINC000600314615 460471589 /nfs/dbraw/zinc/47/15/89/460471589.db2.gz PKURLFZPEDNEBF-UHFFFAOYSA-N 0 0 336.413 3.100 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[C@H]1CC=CCC1 ZINC000600395282 460488947 /nfs/dbraw/zinc/48/89/47/460488947.db2.gz UEWBFNVIMHDARW-ZDUSSCGKSA-N 0 0 327.384 3.481 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000600437863 460495901 /nfs/dbraw/zinc/49/59/01/460495901.db2.gz HJVGUSFKMMFYAC-UONOGXRCSA-N 0 0 334.422 3.421 10 5 EGBERN O=[N+]([O-])c1cn(C[C@H]2CCC(F)(F)C2)nc1-c1ccc(F)cn1 ZINC000600544519 460517706 /nfs/dbraw/zinc/51/77/06/460517706.db2.gz JORNWOVNLMYELX-VIFPVBQESA-N 0 0 326.278 3.428 10 5 EGBERN CC1(C)C[C@@H](SCc2cc([N+](=O)[O-])cc3c2OCOC3)CO1 ZINC000600574886 460529932 /nfs/dbraw/zinc/52/99/32/460529932.db2.gz KJHKBZVIKCAURB-CYBMUJFWSA-N 0 0 325.386 3.262 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)SCc2ccccn2)c([N+](=O)[O-])c1 ZINC000600581869 460533492 /nfs/dbraw/zinc/53/34/92/460533492.db2.gz UQWNMSNYXHBSEO-LLVKDONJSA-N 0 0 347.396 3.259 10 5 EGBERN CCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600608189 460543564 /nfs/dbraw/zinc/54/35/64/460543564.db2.gz UQMUJVDQXVQNRO-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CC(C)c1nc([C@@H](CO)Nc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000601187293 460743239 /nfs/dbraw/zinc/74/32/39/460743239.db2.gz QTARMCPONUBKNQ-GFCCVEGCSA-N 0 0 325.365 3.459 10 5 EGBERN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)C1(F)F ZINC000601200920 460748402 /nfs/dbraw/zinc/74/84/02/460748402.db2.gz IWXOVLAWQZMMKY-BQBZGAKWSA-N 0 0 342.268 3.075 10 5 EGBERN Cc1cccc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601216053 460753377 /nfs/dbraw/zinc/75/33/77/460753377.db2.gz KESZXJQPUNXFCM-UHFFFAOYSA-N 0 0 339.395 3.379 10 5 EGBERN O=C(c1cc(N2CCC(CCF)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000601217500 460755080 /nfs/dbraw/zinc/75/50/80/460755080.db2.gz IMXGRUNXHVOWKT-UHFFFAOYSA-N 0 0 349.406 3.407 10 5 EGBERN CCOC(=O)CCSc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000601221594 460755372 /nfs/dbraw/zinc/75/53/72/460755372.db2.gz PQTCOJHLNQCHCT-UHFFFAOYSA-N 0 0 347.776 3.080 10 5 EGBERN COc1ccc(CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)CCCO)cc1 ZINC000601227704 460757691 /nfs/dbraw/zinc/75/76/91/460757691.db2.gz RBXIZFQHBCXNAT-AWEZNQCLSA-N 0 0 345.399 3.166 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601249753 460764828 /nfs/dbraw/zinc/76/48/28/460764828.db2.gz GZNJBRPHGAXNQJ-NXEZZACHSA-N 0 0 348.325 3.107 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601253331 460766349 /nfs/dbraw/zinc/76/63/49/460766349.db2.gz LVGHKUDWQYIZQA-AWEZNQCLSA-N 0 0 326.356 3.401 10 5 EGBERN O=C(NCCCC(F)(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601263371 460769956 /nfs/dbraw/zinc/76/99/56/460769956.db2.gz KEKZBEJHHYZESQ-UHFFFAOYSA-N 0 0 330.306 3.475 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CCCn4nccc43)n2)cc1 ZINC000601269664 460770998 /nfs/dbraw/zinc/77/09/98/460770998.db2.gz KJEWZFIQXNREJZ-CYBMUJFWSA-N 0 0 341.396 3.284 10 5 EGBERN CCOc1cc(CN2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219541 460776807 /nfs/dbraw/zinc/77/68/07/460776807.db2.gz OIRCNOSNMBWUOR-GFCCVEGCSA-N 0 0 330.331 3.197 10 5 EGBERN Cc1cc(S(=O)(=O)N(Cc2ccco2)C(C)C)c([N+](=O)[O-])s1 ZINC000601321405 460787583 /nfs/dbraw/zinc/78/75/83/460787583.db2.gz LSTNRXVBWGWZQE-UHFFFAOYSA-N 0 0 344.414 3.157 10 5 EGBERN O=C(CC1CSC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000601562489 460833325 /nfs/dbraw/zinc/83/33/25/460833325.db2.gz CXQLXCMUDKRTLB-UHFFFAOYSA-N 0 0 331.191 3.049 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC2CC2)c2ccccc2)n1 ZINC000617378689 460837765 /nfs/dbraw/zinc/83/77/65/460837765.db2.gz ZKPCUFDBSQHCOT-AWEZNQCLSA-N 0 0 328.372 3.082 10 5 EGBERN CC1(C)C[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601624126 460850346 /nfs/dbraw/zinc/85/03/46/460850346.db2.gz KGISJHCWPDABSZ-AWEZNQCLSA-N 0 0 346.427 3.338 10 5 EGBERN CCC(C)(C)OCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601630788 460851388 /nfs/dbraw/zinc/85/13/88/460851388.db2.gz TYPINTXFMHNSBG-UHFFFAOYSA-N 0 0 334.416 3.338 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2cccnc2)C1 ZINC000601658205 460858803 /nfs/dbraw/zinc/85/88/03/460858803.db2.gz KSYSDCOGVSVOBI-ZDUSSCGKSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ccc(CC2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000601671148 460864067 /nfs/dbraw/zinc/86/40/67/460864067.db2.gz HROQNMCAEWBHDB-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN Cc1cc(OCC(=O)N2CC(C)(C)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000601697983 460874734 /nfs/dbraw/zinc/87/47/34/460874734.db2.gz FUPSVHAYUZJFPO-QGZVFWFLSA-N 0 0 344.367 3.485 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601743122 460886955 /nfs/dbraw/zinc/88/69/55/460886955.db2.gz NUSZMDWUXUUEPW-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN COc1ccc(C(=O)CNC(=O)[C@]2(C)CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000601741579 460887001 /nfs/dbraw/zinc/88/70/01/460887001.db2.gz XKENCHDBAVEYLK-GOSISDBHSA-N 0 0 346.383 3.039 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000601767485 460892842 /nfs/dbraw/zinc/89/28/42/460892842.db2.gz GWIXTLFJAXHOFI-UHFFFAOYSA-N 0 0 346.408 3.308 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC000601797160 460901639 /nfs/dbraw/zinc/90/16/39/460901639.db2.gz SFOXEQNANUCRGW-UHFFFAOYSA-N 0 0 348.790 3.078 10 5 EGBERN CSc1cccc(C(=O)Nc2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC000601826779 460913637 /nfs/dbraw/zinc/91/36/37/460913637.db2.gz YZPCAKRITDCCMY-UHFFFAOYSA-N 0 0 332.385 3.102 10 5 EGBERN C[C@H](C(=O)N1CC[C@@H](Cc2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762851 460970144 /nfs/dbraw/zinc/97/01/44/460970144.db2.gz DUZPINIVEBJMAD-HOCLYGCPSA-N 0 0 339.395 3.185 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000187114079 534605627 /nfs/dbraw/zinc/60/56/27/534605627.db2.gz KODOCKUSEDHHNZ-OAHLLOKOSA-N 0 0 331.397 3.266 10 5 EGBERN O=C(OCCSc1ccc([N+](=O)[O-])c2nonc21)c1ccccc1 ZINC000003467155 526420296 /nfs/dbraw/zinc/42/02/96/526420296.db2.gz DXBSZXXFALMGNJ-UHFFFAOYSA-N 0 0 345.336 3.080 10 5 EGBERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000186407077 527900268 /nfs/dbraw/zinc/90/02/68/527900268.db2.gz LPXGQIVZHLHQHO-UHFFFAOYSA-N 0 0 342.417 3.159 10 5 EGBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172025554 535402950 /nfs/dbraw/zinc/40/29/50/535402950.db2.gz CKHHDDIIXSJBCE-ZDUSSCGKSA-N 0 0 349.412 3.070 10 5 EGBERN COc1cc(CN[C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000339462469 536807602 /nfs/dbraw/zinc/80/76/02/536807602.db2.gz PQIHVXMGBUSBMN-NSHDSACASA-N 0 0 347.318 3.453 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC2(CCC2)C[C@H]1C ZINC000375401062 536953279 /nfs/dbraw/zinc/95/32/79/536953279.db2.gz CQNKFOXTLOEKOG-GFCCVEGCSA-N 0 0 333.388 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000350701501 536954582 /nfs/dbraw/zinc/95/45/82/536954582.db2.gz QAGYQJJBICQKQP-ONGXEEELSA-N 0 0 346.305 3.198 10 5 EGBERN COc1ncccc1-c1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000356227969 537148725 /nfs/dbraw/zinc/14/87/25/537148725.db2.gz YYDPNBPZTPOASX-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc2ccccc2[nH]1 ZINC000727341472 574662412 /nfs/dbraw/zinc/66/24/12/574662412.db2.gz RSSBEFZNNFTTDN-CYBMUJFWSA-N 0 0 342.330 3.491 10 5 EGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000727764947 574689160 /nfs/dbraw/zinc/68/91/60/574689160.db2.gz WLXHKANIUXMIJN-LBPRGKRZSA-N 0 0 343.383 3.293 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000728252131 574733823 /nfs/dbraw/zinc/73/38/23/574733823.db2.gz CRAJHJQYRXSGPU-XBMZPMPPSA-N 0 0 338.363 3.475 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000728503394 574755349 /nfs/dbraw/zinc/75/53/49/574755349.db2.gz VAGXUUPDXFKCIW-CABCVRRESA-N 0 0 335.360 3.448 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000728990481 574791882 /nfs/dbraw/zinc/79/18/82/574791882.db2.gz PPBHNWQZDCTISI-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN Cn1c(C(=O)OCCc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000729911394 574895433 /nfs/dbraw/zinc/89/54/33/574895433.db2.gz SIUXCMLHSYHHTO-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000730353779 574975634 /nfs/dbraw/zinc/97/56/34/574975634.db2.gz ZXFDCHFIXKYFBU-MSOLQXFVSA-N 0 0 341.363 3.493 10 5 EGBERN C[C@@H](OC(=O)Cn1ncc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000730474112 574991515 /nfs/dbraw/zinc/99/15/15/574991515.db2.gz MGSGJIKJORIGNJ-GFCCVEGCSA-N 0 0 325.324 3.249 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000731529723 575079485 /nfs/dbraw/zinc/07/94/85/575079485.db2.gz CZQYZCXVSKBXDQ-UHFFFAOYSA-N 0 0 348.330 3.212 10 5 EGBERN C[C@H](CCCOCc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000732508729 575273169 /nfs/dbraw/zinc/27/31/69/575273169.db2.gz GJZOPOZDQKQKKE-CQSZACIVSA-N 0 0 346.383 3.476 10 5 EGBERN CC(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000733430722 575344129 /nfs/dbraw/zinc/34/41/29/575344129.db2.gz VBVDVZIACXQYIB-UHFFFAOYSA-N 0 0 333.344 3.129 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc3c(c2)CCC3)c1 ZINC000734579716 575520318 /nfs/dbraw/zinc/52/03/18/575520318.db2.gz SGOKYWNGJZFZNX-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN C[C@@H](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000735138256 575605212 /nfs/dbraw/zinc/60/52/12/575605212.db2.gz DOVFQAMQFMASNS-AWEZNQCLSA-N 0 0 332.356 3.360 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1cnc(-c2ccccc2)n1 ZINC000735481864 575672247 /nfs/dbraw/zinc/67/22/47/575672247.db2.gz VXDMAIPUJWQCEH-ZDUSSCGKSA-N 0 0 335.367 3.262 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736877750 576054082 /nfs/dbraw/zinc/05/40/82/576054082.db2.gz ZMPYXSGITBMPDH-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000741751275 576716732 /nfs/dbraw/zinc/71/67/32/576716732.db2.gz HUPHWBHUGWXXNH-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN COC(=O)c1ccc(CN(C)c2cc(OC)cc(F)c2[N+](=O)[O-])cc1 ZINC000741751433 576716796 /nfs/dbraw/zinc/71/67/96/576716796.db2.gz LAHLEUZZOBWMCE-UHFFFAOYSA-N 0 0 348.330 3.166 10 5 EGBERN COc1cccc([C@H](C)OC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000744327143 576825608 /nfs/dbraw/zinc/82/56/08/576825608.db2.gz CVXKFKLZJIDLHZ-LBPRGKRZSA-N 0 0 331.324 3.287 10 5 EGBERN COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000744915623 576836880 /nfs/dbraw/zinc/83/68/80/576836880.db2.gz NVAYXVONDSGHST-HNNXBMFYSA-N 0 0 347.298 3.113 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC/C=C/c1ccccc1 ZINC000121908073 1293394901 /nfs/dbraw/zinc/39/49/01/1293394901.db2.gz XLMBSQWSWDPVHW-WEVVVXLNSA-N 0 0 329.356 3.137 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(Cl)cc2F)c1 ZINC000151335445 1293919917 /nfs/dbraw/zinc/91/99/17/1293919917.db2.gz RISAOEAPXPPMQN-UHFFFAOYSA-N 0 0 345.735 3.296 10 5 EGBERN CCOc1ccc(C(=O)OCc2nc(C)sc2C)cc1[N+](=O)[O-] ZINC000159381412 1294234614 /nfs/dbraw/zinc/23/46/14/1294234614.db2.gz UNTBIFVDIWOIDY-UHFFFAOYSA-N 0 0 336.369 3.424 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)c(N)c([N+](=O)[O-])c1 ZINC000171477142 1294407461 /nfs/dbraw/zinc/40/74/61/1294407461.db2.gz UQYPUGYCRNYJDK-UHFFFAOYSA-N 0 0 327.340 3.063 10 5 EGBERN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000869959978 1295563047 /nfs/dbraw/zinc/56/30/47/1295563047.db2.gz IXTSMRMHIDRPPW-XJKCOSOUSA-N 0 0 337.372 3.031 10 5 EGBERN Cc1c(COC(=O)c2cccn(C(C)(C)C)c2=O)cccc1[N+](=O)[O-] ZINC000869978516 1295572376 /nfs/dbraw/zinc/57/23/76/1295572376.db2.gz ZRHUWZKJYFHDCF-UHFFFAOYSA-N 0 0 344.367 3.177 10 5 EGBERN COc1cnc(F)c(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000870701228 1296027779 /nfs/dbraw/zinc/02/77/79/1296027779.db2.gz PYELLJTYSHFXTI-UHFFFAOYSA-N 0 0 334.303 3.111 10 5 EGBERN C[C@@H]1[C@@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1c1ccccc1 ZINC000870828323 1296106573 /nfs/dbraw/zinc/10/65/73/1296106573.db2.gz OMCKWMAZWZFSPM-DYJSVTOUSA-N 0 0 341.367 3.088 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](c1ccccc1)C1CC1 ZINC000870828145 1296106661 /nfs/dbraw/zinc/10/66/61/1296106661.db2.gz KZDDPUAAEPWQQE-PREGVCBESA-N 0 0 341.367 3.232 10 5 EGBERN Cc1ccc(C(C)(C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829746 1296108032 /nfs/dbraw/zinc/10/80/32/1296108032.db2.gz PENOIQIIWFWPDL-UHFFFAOYSA-N 0 0 343.383 3.324 10 5 EGBERN CCOC(=O)[C@H](CC)Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC000233701459 1296178470 /nfs/dbraw/zinc/17/84/70/1296178470.db2.gz DDHDABMJLJDLFG-NSHDSACASA-N 0 0 332.150 3.078 10 5 EGBERN CC(C)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000871172118 1296258199 /nfs/dbraw/zinc/25/81/99/1296258199.db2.gz PWXZVWDCWHEGMI-INIZCTEOSA-N 0 0 348.399 3.022 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000871210648 1296274623 /nfs/dbraw/zinc/27/46/23/1296274623.db2.gz TXXSJZGWIZCYRE-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN O=C(NC1(CO)CCCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871401868 1296382832 /nfs/dbraw/zinc/38/28/32/1296382832.db2.gz TVNRIICAKCLBTG-UHFFFAOYSA-N 0 0 340.807 3.453 10 5 EGBERN O=C(NC1CC2(CSC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000871514259 1296422089 /nfs/dbraw/zinc/42/20/89/1296422089.db2.gz JQUCCYQXAHAJBS-UHFFFAOYSA-N 0 0 334.422 3.435 10 5 EGBERN C[C@@H]1CCCCN1C(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694446 1296485143 /nfs/dbraw/zinc/48/51/43/1296485143.db2.gz MDXDQXWCDMDVCM-SECBINFHSA-N 0 0 330.743 3.167 10 5 EGBERN C[C@H](SCc1cn(C[C@H]2CCOC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000871715062 1296497118 /nfs/dbraw/zinc/49/71/18/1296497118.db2.gz ACIRXDYEBYVVRX-QWHCGFSZSA-N 0 0 348.428 3.217 10 5 EGBERN COC(=O)c1cc(CSCCn2c(C)ncc2[N+](=O)[O-])ccc1C ZINC000871718942 1296498542 /nfs/dbraw/zinc/49/85/42/1296498542.db2.gz OKESZEBEBLNUIW-UHFFFAOYSA-N 0 0 349.412 3.128 10 5 EGBERN Cc1csc([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000871751914 1296518359 /nfs/dbraw/zinc/51/83/59/1296518359.db2.gz TYYPAEBACNQZOO-LLVKDONJSA-N 0 0 332.385 3.381 10 5 EGBERN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020710 1296663697 /nfs/dbraw/zinc/66/36/97/1296663697.db2.gz KMLBAQCSKPTGEF-GFCCVEGCSA-N 0 0 345.374 3.287 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCCc2cccnc21 ZINC000872289187 1296898626 /nfs/dbraw/zinc/89/86/26/1296898626.db2.gz YKCRYFTVAOZIIN-UHFFFAOYSA-N 0 0 329.331 3.041 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872753237 1297091790 /nfs/dbraw/zinc/09/17/90/1297091790.db2.gz KAQNVBFKRRSOIE-XPTSAGLGSA-N 0 0 346.305 3.344 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000873573255 1297598319 /nfs/dbraw/zinc/59/83/19/1297598319.db2.gz YVHACZLSCGMYJW-DOMZBBRYSA-N 0 0 337.372 3.354 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000873727558 1297676268 /nfs/dbraw/zinc/67/62/68/1297676268.db2.gz XFBQJWALMXDACB-CHWSQXEVSA-N 0 0 334.372 3.210 10 5 EGBERN CC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCO1 ZINC000585130438 1298035749 /nfs/dbraw/zinc/03/57/49/1298035749.db2.gz PZGRKTIATCGKPE-GXTWGEPZSA-N 0 0 344.371 3.129 10 5 EGBERN CC1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC000881522458 1301593796 /nfs/dbraw/zinc/59/37/96/1301593796.db2.gz SPLXCJASQZOYCI-UHFFFAOYSA-N 0 0 341.358 3.339 10 5 EGBERN CC(C)(C(=O)NCC1(C)CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000881527317 1301598164 /nfs/dbraw/zinc/59/81/64/1301598164.db2.gz LJFLRHJRHJGUCS-UHFFFAOYSA-N 0 0 326.343 3.424 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@H](Cc2ccccc2)C1 ZINC000882163806 1301854952 /nfs/dbraw/zinc/85/49/52/1301854952.db2.gz DYAJBNGCBCURLC-MRXNPFEDSA-N 0 0 340.379 3.245 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000882445230 1301968922 /nfs/dbraw/zinc/96/89/22/1301968922.db2.gz FDYRNUVXFYKJNX-WMLDXEAASA-N 0 0 332.400 3.175 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378178 1302831542 /nfs/dbraw/zinc/83/15/42/1302831542.db2.gz KUCNMVFHJSDDDW-XJKSGUPXSA-N 0 0 347.415 3.304 10 5 EGBERN O=C(N[C@H]1CCCc2cccnc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000885385357 1303123058 /nfs/dbraw/zinc/12/30/58/1303123058.db2.gz OLZYNSSOMBDSCG-BBWFWOEESA-N 0 0 337.379 3.287 10 5 EGBERN CC(=O)c1csc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000887402390 1303781840 /nfs/dbraw/zinc/78/18/40/1303781840.db2.gz BMOKYXUQFMMINF-SNVBAGLBSA-N 0 0 332.381 3.392 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888844975 1304301880 /nfs/dbraw/zinc/30/18/80/1304301880.db2.gz LOFWHGHVVLDEJR-LWTNXATQSA-N 0 0 348.424 3.001 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000890445194 1304790105 /nfs/dbraw/zinc/79/01/05/1304790105.db2.gz YZXFXMKSDNVYRX-KRWDZBQOSA-N 0 0 346.427 3.335 10 5 EGBERN C/C(=C/C(=O)N1C[C@@H]2CSC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000891183515 1304979619 /nfs/dbraw/zinc/97/96/19/1304979619.db2.gz BIAXNNYYOLDOJD-UYSHUYCFSA-N 0 0 332.425 3.210 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)c1C ZINC000893162401 1305738681 /nfs/dbraw/zinc/73/86/81/1305738681.db2.gz KTQBEODVILCOIN-RHSMWYFYSA-N 0 0 332.400 3.147 10 5 EGBERN O=C(NCC[C@H]1CCCC1(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893404901 1305874908 /nfs/dbraw/zinc/87/49/08/1305874908.db2.gz HCFZFVVJGMVZOJ-MRVPVSSYSA-N 0 0 334.269 3.428 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000893516683 1305943231 /nfs/dbraw/zinc/94/32/31/1305943231.db2.gz AEDXXSKQJBREAJ-BXUZGUMPSA-N 0 0 347.396 3.269 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCOC1 ZINC000893857383 1306100851 /nfs/dbraw/zinc/10/08/51/1306100851.db2.gz NVSUDJMAXYQOIA-IUODEOHRSA-N 0 0 343.383 3.078 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000893861162 1306101971 /nfs/dbraw/zinc/10/19/71/1306101971.db2.gz FYZJAMKZGQNWPT-XJKSGUPXSA-N 0 0 334.416 3.194 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000894301187 1306330592 /nfs/dbraw/zinc/33/05/92/1306330592.db2.gz TYTUWJQYHNKVOQ-UGSOOPFHSA-N 0 0 342.399 3.100 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1Cl ZINC000894404626 1308856876 /nfs/dbraw/zinc/85/68/76/1308856876.db2.gz YKFYTZQSYRAWSD-NSHDSACASA-N 0 0 338.791 3.246 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000894503396 1308926986 /nfs/dbraw/zinc/92/69/86/1308926986.db2.gz FLRFJZBPOLBJCS-CYBMUJFWSA-N 0 0 340.807 3.112 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000894503682 1308927677 /nfs/dbraw/zinc/92/76/77/1308927677.db2.gz LKVYSSRMMDBRCK-GFCCVEGCSA-N 0 0 340.807 3.492 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccc(F)cc1F ZINC000894772396 1309061831 /nfs/dbraw/zinc/06/18/31/1309061831.db2.gz KXVKXFPMLPHDOF-UHFFFAOYSA-N 0 0 335.310 3.242 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000895443585 1309339951 /nfs/dbraw/zinc/33/99/51/1309339951.db2.gz OWQWNKUVCFXWBR-CABZTGNLSA-N 0 0 332.278 3.319 10 5 EGBERN CC1(C)CO[C@H](CCc2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000895958601 1309612519 /nfs/dbraw/zinc/61/25/19/1309612519.db2.gz QEWJPDWXZNLEAW-CYBMUJFWSA-N 0 0 331.372 3.316 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](Cc2nccs2)C1 ZINC000897285573 1310268655 /nfs/dbraw/zinc/26/86/55/1310268655.db2.gz YQGIWXBMRBFDKU-GFCCVEGCSA-N 0 0 331.397 3.323 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000897563750 1310382132 /nfs/dbraw/zinc/38/21/32/1310382132.db2.gz KWZWEAKYJKMBEA-LSDHHAIUSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000898072028 1310576391 /nfs/dbraw/zinc/57/63/91/1310576391.db2.gz HFHGYILLLDFIBX-NSHDSACASA-N 0 0 333.775 3.372 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ncccn1 ZINC000898974424 1310894677 /nfs/dbraw/zinc/89/46/77/1310894677.db2.gz PVAOAGLHZBKUOH-AHKFDXCISA-N 0 0 338.367 3.152 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC000857571591 1328551038 /nfs/dbraw/zinc/55/10/38/1328551038.db2.gz JCCMDZMZAHTOSP-CYBMUJFWSA-N 0 0 338.335 3.040 10 5 EGBERN Nc1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)cc1[N+](=O)[O-] ZINC000857741729 1328593909 /nfs/dbraw/zinc/59/39/09/1328593909.db2.gz MGHSAWPLOLEKHP-ZDUSSCGKSA-N 0 0 327.331 3.121 10 5 EGBERN Cn1cc2c(n1)CCC[C@@H]2Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000857899078 1328618546 /nfs/dbraw/zinc/61/85/46/1328618546.db2.gz SXZQDLZHNSWOGD-AWEZNQCLSA-N 0 0 327.388 3.092 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCC=CCC1 ZINC000899804556 1317167465 /nfs/dbraw/zinc/16/74/65/1317167465.db2.gz PZSSCXQJNSRUNC-UHFFFAOYSA-N 0 0 341.367 3.137 10 5 EGBERN CN(CCNc1ccc2cnccc2c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000858385876 1328749967 /nfs/dbraw/zinc/74/99/67/1328749967.db2.gz IWZCAXXFPAUFGT-UHFFFAOYSA-N 0 0 346.387 3.422 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2COC3(CCCC3)O2)ccc2cnccc21 ZINC000858467651 1328769047 /nfs/dbraw/zinc/76/90/47/1328769047.db2.gz QWLLVMSLNSUDCW-CYBMUJFWSA-N 0 0 329.356 3.241 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H](C(F)F)C1 ZINC000930125626 1328791234 /nfs/dbraw/zinc/79/12/34/1328791234.db2.gz IYXKEYNAKGEBIO-QMMMGPOBSA-N 0 0 335.148 3.444 10 5 EGBERN CC(C)n1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cn1 ZINC000913385173 1319019986 /nfs/dbraw/zinc/01/99/86/1319019986.db2.gz SALNILWISQBLPI-UHFFFAOYSA-N 0 0 340.742 3.095 10 5 EGBERN CC[C@H]1C[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000913385274 1319020581 /nfs/dbraw/zinc/02/05/81/1319020581.db2.gz VTMQNSJATAOMMO-QWRGUYRKSA-N 0 0 344.770 3.209 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387726 1319022082 /nfs/dbraw/zinc/02/20/82/1319022082.db2.gz QYCOQYJECMCBPQ-PXIYARARSA-N 0 0 326.755 3.296 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000913722035 1319107877 /nfs/dbraw/zinc/10/78/77/1319107877.db2.gz GYHNIUGSQOOHQP-GFCCVEGCSA-N 0 0 344.770 3.465 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCC(C)(C)C1CC1 ZINC000913905023 1319169928 /nfs/dbraw/zinc/16/99/28/1319169928.db2.gz CJNASCOKELPONC-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000914239282 1319274621 /nfs/dbraw/zinc/27/46/21/1319274621.db2.gz YUWNJCMUCYNKII-WBMJQRKESA-N 0 0 340.383 3.428 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000914786224 1319377261 /nfs/dbraw/zinc/37/72/61/1319377261.db2.gz YYHCAFQBDVGZFP-UHFFFAOYSA-N 0 0 339.395 3.006 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000858691350 1328832449 /nfs/dbraw/zinc/83/24/49/1328832449.db2.gz GCLLAAHDTYIGBA-LBPRGKRZSA-N 0 0 334.372 3.446 10 5 EGBERN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000915813110 1319540881 /nfs/dbraw/zinc/54/08/81/1319540881.db2.gz YCDCTFGJHHLWKH-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000858734054 1328845117 /nfs/dbraw/zinc/84/51/17/1328845117.db2.gz MHHZMMRYGXFEOI-GFCCVEGCSA-N 0 0 327.340 3.207 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2noc3c2COCC3)c(C(F)(F)F)c1 ZINC000916767581 1319706801 /nfs/dbraw/zinc/70/68/01/1319706801.db2.gz SUVBNVNPFJNBDJ-UHFFFAOYSA-N 0 0 344.245 3.253 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@H]2CC[C@H](C3CC3)O2)c(F)c1F ZINC000917929309 1319889019 /nfs/dbraw/zinc/88/90/19/1319889019.db2.gz QRXBXIJCECSXFI-HTQZYQBOSA-N 0 0 335.253 3.488 10 5 EGBERN CC/C=C\COC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000918504653 1319961537 /nfs/dbraw/zinc/96/15/37/1319961537.db2.gz DWQLUIGRHIQHRN-PLNGDYQASA-N 0 0 331.271 3.328 10 5 EGBERN O=C(OCCOC1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000918518882 1319966481 /nfs/dbraw/zinc/96/64/81/1319966481.db2.gz QRMLCLQTMCNBBH-UHFFFAOYSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)cc1[N+](=O)[O-] ZINC000858794151 1328863029 /nfs/dbraw/zinc/86/30/29/1328863029.db2.gz ZDDHXUQEFYLNSD-NNUHMIRASA-N 0 0 328.821 3.046 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000918657699 1319984099 /nfs/dbraw/zinc/98/40/99/1319984099.db2.gz HJIYAAPMOFHDJW-UWVGGRQHSA-N 0 0 343.177 3.089 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC000858836672 1328872420 /nfs/dbraw/zinc/87/24/20/1328872420.db2.gz HPKCTTKRXMLSFU-HNNXBMFYSA-N 0 0 326.352 3.497 10 5 EGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000858873696 1328880661 /nfs/dbraw/zinc/88/06/61/1328880661.db2.gz AFFMONAXIIVYOI-UHFFFAOYSA-N 0 0 337.344 3.375 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccncc1Br)C2 ZINC000859208479 1328945865 /nfs/dbraw/zinc/94/58/65/1328945865.db2.gz OJJOOYGYYXASLM-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN Cc1cc(NC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000930732604 1328953110 /nfs/dbraw/zinc/95/31/10/1328953110.db2.gz OKJZEANBAUYAOX-XJKSGUPXSA-N 0 0 333.388 3.230 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000859297553 1328963983 /nfs/dbraw/zinc/96/39/83/1328963983.db2.gz KCORGRIJTOPFHV-UHFFFAOYSA-N 0 0 336.369 3.018 10 5 EGBERN CCc1noc(CCCC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000919514487 1322075081 /nfs/dbraw/zinc/07/50/81/1322075081.db2.gz OSFSGNKBKKZXHU-NSHDSACASA-N 0 0 333.344 3.167 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccoc1 ZINC000920147159 1322145067 /nfs/dbraw/zinc/14/50/67/1322145067.db2.gz QJOHBCZQYLLPFZ-UHFFFAOYSA-N 0 0 345.229 3.442 10 5 EGBERN C[C@@H](OC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000920157292 1322145808 /nfs/dbraw/zinc/14/58/08/1322145808.db2.gz PGDQJIODCQUIGJ-SECBINFHSA-N 0 0 328.280 3.360 10 5 EGBERN CC1(C)CO[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)C1 ZINC000920418050 1322175271 /nfs/dbraw/zinc/17/52/71/1322175271.db2.gz XALGKXRDWVXLNI-LBPRGKRZSA-N 0 0 336.779 3.322 10 5 EGBERN CCCCOCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930921902 1329008820 /nfs/dbraw/zinc/00/88/20/1329008820.db2.gz ADCLKXNSXXEVQC-UHFFFAOYSA-N 0 0 328.796 3.114 10 5 EGBERN CC(C)(C)OC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859552738 1329015498 /nfs/dbraw/zinc/01/54/98/1329015498.db2.gz CXNAJYKJFNLTJO-UHFFFAOYSA-N 0 0 344.367 3.210 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000921337004 1322295836 /nfs/dbraw/zinc/29/58/36/1322295836.db2.gz CCLLYWMGJHXLQF-CJNGLKHVSA-N 0 0 347.415 3.365 10 5 EGBERN Cc1ccc(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922171016 1322470905 /nfs/dbraw/zinc/47/09/05/1322470905.db2.gz GPRGUNAKGRVWKY-JQWIXIFHSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922217048 1322480657 /nfs/dbraw/zinc/48/06/57/1322480657.db2.gz CYATXQLRGKICTO-KOLCDFICSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1F ZINC000922354379 1322508260 /nfs/dbraw/zinc/50/82/60/1322508260.db2.gz CGXWOLMFJWHWKD-LDYMZIIASA-N 0 0 337.225 3.001 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922520848 1322547461 /nfs/dbraw/zinc/54/74/61/1322547461.db2.gz RPIYKJMBBVZLEG-UBSAEIQESA-N 0 0 325.311 3.362 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922716225 1322601588 /nfs/dbraw/zinc/60/15/88/1322601588.db2.gz PQOXIPOTNGTJTH-CPUCHLNUSA-N 0 0 349.431 3.406 10 5 EGBERN Cc1cc(COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)nn1 ZINC000922761573 1322612408 /nfs/dbraw/zinc/61/24/08/1322612408.db2.gz CQZSIGKMPFKWCD-UHFFFAOYSA-N 0 0 335.747 3.320 10 5 EGBERN COc1ncc(COC(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc21 ZINC000922770607 1322614174 /nfs/dbraw/zinc/61/41/74/1322614174.db2.gz OTVPNWCQDJVXJD-UHFFFAOYSA-N 0 0 332.356 3.122 10 5 EGBERN CC[C@H](C)[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859637221 1329041339 /nfs/dbraw/zinc/04/13/39/1329041339.db2.gz JVQIIELWCPFYON-KPZWWZAWSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923112503 1322694686 /nfs/dbraw/zinc/69/46/86/1322694686.db2.gz OTPUAYSNMKTPQG-OAUYIBNBSA-N 0 0 347.415 3.303 10 5 EGBERN C[C@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000923331455 1322734870 /nfs/dbraw/zinc/73/48/70/1322734870.db2.gz LDCPGDMVGJSEIT-NSHDSACASA-N 0 0 332.356 3.045 10 5 EGBERN Cc1ccccc1[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000923727613 1322799043 /nfs/dbraw/zinc/79/90/43/1322799043.db2.gz ICKSBGIGKMNQDW-QGZVFWFLSA-N 0 0 328.368 3.017 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000923761857 1322804799 /nfs/dbraw/zinc/80/47/99/1322804799.db2.gz UJRSUSWRRUFQJB-ZFWWWQNUSA-N 0 0 329.356 3.069 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000923910108 1322844416 /nfs/dbraw/zinc/84/44/16/1322844416.db2.gz JKKMOZPWUZHAEV-CGTJXYLNSA-N 0 0 337.379 3.041 10 5 EGBERN Cc1cc(-c2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)cc([N+](=O)[O-])c1 ZINC000924092333 1322898185 /nfs/dbraw/zinc/89/81/85/1322898185.db2.gz CYEDCTHAFINQGQ-HUUCEWRRSA-N 0 0 329.356 3.453 10 5 EGBERN CC1(CC(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])COC1 ZINC000924117219 1322905371 /nfs/dbraw/zinc/90/53/71/1322905371.db2.gz KYPWPEGFEBATEV-UHFFFAOYSA-N 0 0 334.155 3.371 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nc(CC2CCC(F)(F)CC2)no1 ZINC000924260422 1322956179 /nfs/dbraw/zinc/95/61/79/1322956179.db2.gz DRDZARZGMDQOHM-UHFFFAOYSA-N 0 0 326.303 3.351 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H]1CCCC1(F)F ZINC000924332841 1322986359 /nfs/dbraw/zinc/98/63/59/1322986359.db2.gz SRAMGCSSGQHUGL-NSHDSACASA-N 0 0 329.299 3.472 10 5 EGBERN O=C(COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc([N+](=O)[O-])cc1F ZINC000924376878 1323001252 /nfs/dbraw/zinc/00/12/52/1323001252.db2.gz KZQIGDHIUHFZBE-ZSBIGDGJSA-N 0 0 335.331 3.286 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]12C[C@H]1CCCC2 ZINC000924377479 1323001286 /nfs/dbraw/zinc/00/12/86/1323001286.db2.gz JXMTYZGJOQATDH-QAPCUYQASA-N 0 0 331.416 3.359 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000924401155 1323008074 /nfs/dbraw/zinc/00/80/74/1323008074.db2.gz WYOPKTOXUVRUPQ-ZOBUZTSGSA-N 0 0 331.416 3.215 10 5 EGBERN Cc1noc(COC(=O)C2(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000924411437 1323012002 /nfs/dbraw/zinc/01/20/02/1323012002.db2.gz GFQBEXSWSSQODD-UHFFFAOYSA-N 0 0 330.340 3.347 10 5 EGBERN CCCCC1(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000924427136 1323021446 /nfs/dbraw/zinc/02/14/46/1323021446.db2.gz FLLQLAYJNAVCBG-UHFFFAOYSA-N 0 0 335.356 3.475 10 5 EGBERN Cc1noc(COC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1[N+](=O)[O-] ZINC000859789670 1329077786 /nfs/dbraw/zinc/07/77/86/1329077786.db2.gz IEPXUOMEHXZJIN-ZLKJLUDKSA-N 0 0 348.742 3.174 10 5 EGBERN Cc1noc(COC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1[N+](=O)[O-] ZINC000859789667 1329077846 /nfs/dbraw/zinc/07/78/46/1329077846.db2.gz IEPXUOMEHXZJIN-DDTOSNHZSA-N 0 0 348.742 3.174 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccccc1CF)c1cccc([N+](=O)[O-])c1 ZINC000931262502 1329081496 /nfs/dbraw/zinc/08/14/96/1329081496.db2.gz VXTTXXIWJGPOQC-SFHVURJKSA-N 0 0 346.358 3.242 10 5 EGBERN CC(C)[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810874 1329083417 /nfs/dbraw/zinc/08/34/17/1329083417.db2.gz WMXSKDNFJKHIIM-GFCCVEGCSA-N 0 0 344.367 3.066 10 5 EGBERN C[C@]12CSC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000931296127 1329087920 /nfs/dbraw/zinc/08/79/20/1329087920.db2.gz BTUSPJYUJDIFQW-OTYXRUKQSA-N 0 0 341.820 3.465 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C)CC1 ZINC000931627218 1329156360 /nfs/dbraw/zinc/15/63/60/1329156360.db2.gz XNMKAXUFKLMZCA-SNVBAGLBSA-N 0 0 327.768 3.199 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000860178236 1329167700 /nfs/dbraw/zinc/16/77/00/1329167700.db2.gz IMKCANHROZUBIJ-QWHCGFSZSA-N 0 0 346.383 3.354 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000860188552 1329169767 /nfs/dbraw/zinc/16/97/67/1329169767.db2.gz UZKSYHHONCGEAG-PTEHBNRSSA-N 0 0 340.807 3.410 10 5 EGBERN O=C(OCc1ccc(Br)cc1[N+](=O)[O-])C12CC(C1)C2 ZINC000860273245 1329185446 /nfs/dbraw/zinc/18/54/46/1329185446.db2.gz ULGLYYLFBKQVFP-UHFFFAOYSA-N 0 0 326.146 3.201 10 5 EGBERN C[C@@H](NC(=O)N1CC(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235445 1325090867 /nfs/dbraw/zinc/09/08/67/1325090867.db2.gz GOGOGBGDDQIGND-SECBINFHSA-N 0 0 331.294 3.250 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925508227 1325183581 /nfs/dbraw/zinc/18/35/81/1325183581.db2.gz PEOVICACUJZWOK-LBPRGKRZSA-N 0 0 335.404 3.082 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1Cc2ccccc2OC2(CCC2)C1 ZINC000925738810 1325276743 /nfs/dbraw/zinc/27/67/43/1325276743.db2.gz ZNNVXKZJJJGPKP-UHFFFAOYSA-N 0 0 328.324 3.145 10 5 EGBERN C[C@@H](CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(F)(F)F ZINC000860317644 1329304017 /nfs/dbraw/zinc/30/40/17/1329304017.db2.gz CWTSFHUSGPDOHZ-QMMMGPOBSA-N 0 0 349.261 3.093 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860326619 1329305161 /nfs/dbraw/zinc/30/51/61/1329305161.db2.gz ZZBQZSVNDZARHB-MRVPVSSYSA-N 0 0 349.261 3.013 10 5 EGBERN C[C@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000860325920 1329305280 /nfs/dbraw/zinc/30/52/80/1329305280.db2.gz OWOJCHXFJSQLNC-SSDOTTSWSA-N 0 0 337.225 3.048 10 5 EGBERN CC(C)C(=O)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000926888389 1327759172 /nfs/dbraw/zinc/75/91/72/1327759172.db2.gz PMDCOXFZBJYUOU-GOSISDBHSA-N 0 0 340.379 3.220 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCS1 ZINC000927247142 1327930695 /nfs/dbraw/zinc/93/06/95/1327930695.db2.gz MOBMVVBVWMTGMX-TZMCWYRMSA-N 0 0 337.445 3.063 10 5 EGBERN Cc1c(NC(=O)N[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927385436 1327997221 /nfs/dbraw/zinc/99/72/21/1327997221.db2.gz XBYHJWLMZYOSES-AWEZNQCLSA-N 0 0 326.356 3.497 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927404621 1328010024 /nfs/dbraw/zinc/01/00/24/1328010024.db2.gz XPCJAHDZFONOMQ-FPPSTOPWSA-N 0 0 332.425 3.398 10 5 EGBERN COC[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927596354 1328074728 /nfs/dbraw/zinc/07/47/28/1328074728.db2.gz ORFOWJWVAMCHIZ-CYBMUJFWSA-N 0 0 337.420 3.048 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)n1 ZINC000928197096 1328231032 /nfs/dbraw/zinc/23/10/32/1328231032.db2.gz RWXPTMIMXZNYJC-NSHDSACASA-N 0 0 348.790 3.002 10 5 EGBERN Cn1ccc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)n1 ZINC000928210802 1328237934 /nfs/dbraw/zinc/23/79/34/1328237934.db2.gz FHGWVSGZDMZLNE-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN C/C(=C/C(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928367550 1328289949 /nfs/dbraw/zinc/28/99/49/1328289949.db2.gz IGUWKHMCYPHYSW-MUSGIIIZSA-N 0 0 340.383 3.095 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928366405 1328290515 /nfs/dbraw/zinc/29/05/15/1328290515.db2.gz BKVQMUTZBNVJPD-MRXNPFEDSA-N 0 0 342.399 3.429 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000929116837 1328509112 /nfs/dbraw/zinc/50/91/12/1328509112.db2.gz BCZIVAUEVPXYFU-KGLIPLIRSA-N 0 0 333.388 3.265 10 5 EGBERN CC1(c2nsc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000862609638 1329499166 /nfs/dbraw/zinc/49/91/66/1329499166.db2.gz VNGSGNWUDJYXFQ-QPJJXVBHSA-N 0 0 330.369 3.150 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862726694 1329505500 /nfs/dbraw/zinc/50/55/00/1329505500.db2.gz GAITWQWMGVVGQL-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000862945273 1329518935 /nfs/dbraw/zinc/51/89/35/1329518935.db2.gz PQKWXHLKHDRVTR-UHFFFAOYSA-N 0 0 329.347 3.287 10 5 EGBERN Cc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])n2C)cc1F ZINC000863598248 1329565346 /nfs/dbraw/zinc/56/53/46/1329565346.db2.gz PXJXKNOBYNWVBS-UHFFFAOYSA-N 0 0 331.347 3.438 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000863813669 1329583278 /nfs/dbraw/zinc/58/32/78/1329583278.db2.gz KAQGITVRVWLICV-WSNITJDQSA-N 0 0 331.416 3.479 10 5 EGBERN CC(C)C(C)(C)[S@@](=O)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000864476261 1329616755 /nfs/dbraw/zinc/61/67/55/1329616755.db2.gz JMSQWSNJFMSLNZ-QHCPKHFHSA-N 0 0 337.401 3.328 10 5 EGBERN C[C@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000864930036 1329652696 /nfs/dbraw/zinc/65/26/96/1329652696.db2.gz AAKOMIDSGIPQSM-LRDDRELGSA-N 0 0 326.352 3.166 10 5 EGBERN C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865181270 1329675335 /nfs/dbraw/zinc/67/53/35/1329675335.db2.gz UDYCMZXPLBIGES-SKDRFNHKSA-N 0 0 341.205 3.205 10 5 EGBERN C[C@H](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[S@](C)=O ZINC000865620967 1329721290 /nfs/dbraw/zinc/72/12/90/1329721290.db2.gz HIILAERQZZYHEV-XJZHNMMOSA-N 0 0 325.217 3.471 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc(Cl)ccn1 ZINC000865658619 1329726317 /nfs/dbraw/zinc/72/63/17/1329726317.db2.gz UIUYEEPPMHWHGZ-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN Cc1cn2c(n1)CN(c1c(Cl)c(Cl)ccc1[N+](=O)[O-])CC2 ZINC000865668065 1329727252 /nfs/dbraw/zinc/72/72/52/1329727252.db2.gz FEZLLYXCTQDVBA-UHFFFAOYSA-N 0 0 327.171 3.427 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCCNc2ccccc2F)cc1F ZINC000865673834 1329728015 /nfs/dbraw/zinc/72/80/15/1329728015.db2.gz BMFXMVXDOOBXCZ-UHFFFAOYSA-N 0 0 337.326 3.279 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000865902954 1329750712 /nfs/dbraw/zinc/75/07/12/1329750712.db2.gz AAOGFXHPYAYNMW-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@]1(C)C[C@]1(F)Cl ZINC000865907129 1329750840 /nfs/dbraw/zinc/75/08/40/1329750840.db2.gz CFJJMBCHRKZUQF-NXEZZACHSA-N 0 0 344.696 3.464 10 5 EGBERN O=C1CCC2=C(CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)N1 ZINC000865930167 1329752704 /nfs/dbraw/zinc/75/27/04/1329752704.db2.gz KWEBQNUGGDVWAL-UHFFFAOYSA-N 0 0 342.182 3.276 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC=CCC1 ZINC000865967185 1329755248 /nfs/dbraw/zinc/75/52/48/1329755248.db2.gz QORHDLZWKVENOF-NSHDSACASA-N 0 0 339.189 3.125 10 5 EGBERN CCn1nc(C)c(CN(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])c1C ZINC000865993054 1329757382 /nfs/dbraw/zinc/75/73/82/1329757382.db2.gz RPQRXXJYFMKCTJ-UHFFFAOYSA-N 0 0 330.388 3.267 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1O ZINC000866000259 1329757995 /nfs/dbraw/zinc/75/79/95/1329757995.db2.gz VECDRFNNGAOQEO-XKQJLSEDSA-N 0 0 327.384 3.129 10 5 EGBERN CO[C@H]1CC[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866083158 1330063879 /nfs/dbraw/zinc/06/38/79/1330063879.db2.gz LLZPEJGLQNIFOR-ONGXEEELSA-N 0 0 327.768 3.279 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCCS1 ZINC000866093391 1330064911 /nfs/dbraw/zinc/06/49/11/1330064911.db2.gz FWRNJCUTZGHGDV-LBPRGKRZSA-N 0 0 337.401 3.249 10 5 EGBERN CS[C@@H]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866125088 1330067938 /nfs/dbraw/zinc/06/79/38/1330067938.db2.gz YTQWAVMKWSADFM-UKRRQHHQSA-N 0 0 334.441 3.417 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CSC[C@H]2C1 ZINC000866151534 1330071186 /nfs/dbraw/zinc/07/11/86/1330071186.db2.gz JVTQAHVZXBDIQS-VHSXEESVSA-N 0 0 341.820 3.465 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000866158939 1330071991 /nfs/dbraw/zinc/07/19/91/1330071991.db2.gz VSPPXLJPVRILSC-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2c1CN(C)C2=O ZINC000866373948 1330103440 /nfs/dbraw/zinc/10/34/40/1330103440.db2.gz YDUBDANMEXGAJZ-LLVKDONJSA-N 0 0 343.358 3.363 10 5 EGBERN Cn1ccnc1[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866451673 1330114205 /nfs/dbraw/zinc/11/42/05/1330114205.db2.gz OKWUSNGDFHTITL-ARFHVFGLSA-N 0 0 332.379 3.288 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480886 1330117326 /nfs/dbraw/zinc/11/73/26/1330117326.db2.gz MAPKFXWBOXHUPZ-HZPDHXFCSA-N 0 0 346.456 3.293 10 5 EGBERN COc1cc(Cc2noc([C@]34C[C@H]3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000866943354 1330159598 /nfs/dbraw/zinc/15/95/98/1330159598.db2.gz GSWLEBWQLQUVET-SJKOYZFVSA-N 0 0 329.356 3.409 10 5 EGBERN COc1cc(C)ccc1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868397008 1330276337 /nfs/dbraw/zinc/27/63/37/1330276337.db2.gz XNOKHSJJYNRCCC-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000868617306 1330300523 /nfs/dbraw/zinc/30/05/23/1330300523.db2.gz BLLDLHLLQUKWDY-PXAZEXFGSA-N 0 0 341.367 3.225 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000868705243 1330319819 /nfs/dbraw/zinc/31/98/19/1330319819.db2.gz AXDQOTNRJAQUDR-VIFPVBQESA-N 0 0 333.310 3.291 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868749839 1330331545 /nfs/dbraw/zinc/33/15/45/1330331545.db2.gz VAGCATPLTRBFRE-IAGOWNOFSA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000869053820 1330403874 /nfs/dbraw/zinc/40/38/74/1330403874.db2.gz UYISPEZQHVNRPX-HNNXBMFYSA-N 0 0 325.368 3.042 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000869054552 1330403939 /nfs/dbraw/zinc/40/39/39/1330403939.db2.gz LXGYIYANICZQEN-DZGCQCFKSA-N 0 0 339.342 3.090 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000869054344 1330404195 /nfs/dbraw/zinc/40/41/95/1330404195.db2.gz JXESCULNFVMNGB-OAHLLOKOSA-N 0 0 339.342 3.234 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000869369982 1330474696 /nfs/dbraw/zinc/47/46/96/1330474696.db2.gz BOBZWVSEZYMPEY-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN COC(=O)c1csc(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000869488806 1330510271 /nfs/dbraw/zinc/51/02/71/1330510271.db2.gz AIDBWGHDTTXBFS-JTQLQIEISA-N 0 0 349.364 3.290 10 5 EGBERN O=C(Cc1cnn2c1CCCC2)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000869590187 1330529027 /nfs/dbraw/zinc/52/90/27/1330529027.db2.gz AWLGQLAYXSPUPE-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN Cc1cnccc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811378 1330568989 /nfs/dbraw/zinc/56/89/89/1330568989.db2.gz PCMKHMWMRSQNNG-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN O=C(OCCO[C@@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811000 1330569068 /nfs/dbraw/zinc/56/90/68/1330569068.db2.gz MOIMSSDQNIMDEE-MRXNPFEDSA-N 0 0 349.383 3.103 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1c(Cl)n[nH]c1C1CC1 ZINC000869905144 1330587004 /nfs/dbraw/zinc/58/70/04/1330587004.db2.gz JQNYBHHGSMFSHY-UHFFFAOYSA-N 0 0 339.710 3.345 10 5 EGBERN COC(=O)c1ccnc(Sc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001184634685 1387501748 /nfs/dbraw/zinc/50/17/48/1387501748.db2.gz VBIUATAUVUXUAG-UHFFFAOYSA-N 0 0 330.365 3.416 10 5 EGBERN Cc1ccc(Oc2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)nn1 ZINC001185421438 1387711099 /nfs/dbraw/zinc/71/10/99/1387711099.db2.gz VSTGOFCOMZHGNK-UHFFFAOYSA-N 0 0 339.311 3.330 10 5 EGBERN CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001194021051 1368169203 /nfs/dbraw/zinc/16/92/03/1368169203.db2.gz WESKFKGWHIOVJV-UHFFFAOYSA-N 0 0 349.774 3.419 10 5 EGBERN CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001194116585 1368186265 /nfs/dbraw/zinc/18/62/65/1368186265.db2.gz SWIHESJPMFGGMB-KRWDZBQOSA-N 0 0 349.431 3.428 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001186672811 1387997125 /nfs/dbraw/zinc/99/71/25/1387997125.db2.gz FYDVITNJUHUASP-PUYPPJJSSA-N 0 0 328.328 3.074 10 5 EGBERN C[C@@H](Cc1cn(C)c2ccc(F)cc12)Nc1nn(C)cc1[N+](=O)[O-] ZINC001186689405 1387997980 /nfs/dbraw/zinc/99/79/80/1387997980.db2.gz UNEFFACWHOQZQY-JTQLQIEISA-N 0 0 331.351 3.002 10 5 EGBERN CS(=O)(=O)c1ccccc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC001186713181 1388000068 /nfs/dbraw/zinc/00/00/68/1388000068.db2.gz JULURHWLHCJPLG-UHFFFAOYSA-N 0 0 340.788 3.264 10 5 EGBERN COCC1(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001186805767 1388010157 /nfs/dbraw/zinc/01/01/57/1388010157.db2.gz XCZUTSTYVVSBPR-UHFFFAOYSA-N 0 0 335.791 3.447 10 5 EGBERN CN(CCc1nc2ccccc2[nH]1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001186815078 1388010819 /nfs/dbraw/zinc/01/08/19/1388010819.db2.gz RVESQKCZMWUETO-UHFFFAOYSA-N 0 0 348.366 3.093 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(-n3ccnc3)cs1)C2 ZINC001116554881 1370935834 /nfs/dbraw/zinc/93/58/34/1370935834.db2.gz INJKRCVCPOXNFX-UHFFFAOYSA-N 0 0 326.381 3.358 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@@H](F)C1 ZINC001118157909 1371139925 /nfs/dbraw/zinc/13/99/25/1371139925.db2.gz BDWRUJJFAVYWSW-NWDGAFQWSA-N 0 0 349.318 3.216 10 5 EGBERN COc1cc(N2CC[C@H]3OCCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001118529966 1371193474 /nfs/dbraw/zinc/19/34/74/1371193474.db2.gz WYBDWQXHEMLTLQ-IINYFYTJSA-N 0 0 326.780 3.262 10 5 EGBERN C[C@@H]1Cc2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2O1 ZINC001187549721 1388125117 /nfs/dbraw/zinc/12/51/17/1388125117.db2.gz CPUQWOFSPCIBKJ-SNVBAGLBSA-N 0 0 329.312 3.439 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H](O)Cc2ccccc2F)ccc2ncccc21 ZINC001187624614 1388132955 /nfs/dbraw/zinc/13/29/55/1388132955.db2.gz FBIRQVKGKLAWFT-ZDUSSCGKSA-N 0 0 341.342 3.298 10 5 EGBERN CCC(=O)N1CCc2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc21 ZINC001187732600 1388152637 /nfs/dbraw/zinc/15/26/37/1388152637.db2.gz IQZCXESFZXMMTD-UHFFFAOYSA-N 0 0 346.774 3.108 10 5 EGBERN C[C@H](CNc1nc(Cl)nc2nc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC001187752541 1388155049 /nfs/dbraw/zinc/15/50/49/1388155049.db2.gz URHAXUQNRAPPJH-MRVPVSSYSA-N 0 0 332.751 3.082 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001121277552 1371918530 /nfs/dbraw/zinc/91/85/30/1371918530.db2.gz SJDLYAJTBXBVDW-JHJVBQTASA-N 0 0 338.429 3.101 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001187871695 1388181048 /nfs/dbraw/zinc/18/10/48/1388181048.db2.gz OPAJQSYLADCVMS-WOLRVDTOSA-N 0 0 341.367 3.219 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC001123278112 1372412491 /nfs/dbraw/zinc/41/24/91/1372412491.db2.gz SBQKKJVDQFUMBY-JTQLQIEISA-N 0 0 348.384 3.081 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[C@H]1c1ccccc1 ZINC001123462229 1372477973 /nfs/dbraw/zinc/47/79/73/1372477973.db2.gz JACFEFBPOOXDRS-QWHCGFSZSA-N 0 0 341.319 3.075 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)CC1 ZINC001124006220 1372655605 /nfs/dbraw/zinc/65/56/05/1372655605.db2.gz FJHMNZKMDSNKJV-KRWDZBQOSA-N 0 0 344.342 3.338 10 5 EGBERN O=C([C@H]1CCC=CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001124254030 1372687294 /nfs/dbraw/zinc/68/72/94/1372687294.db2.gz NAVZUYKRGARGNI-INIZCTEOSA-N 0 0 343.427 3.380 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1 ZINC001124332445 1372692901 /nfs/dbraw/zinc/69/29/01/1372692901.db2.gz ZKQJMESUTRHBDR-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)nn(C)c1Cl ZINC001124331859 1372692920 /nfs/dbraw/zinc/69/29/20/1372692920.db2.gz MWTHMKAZICEBCU-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1-n1cccn1 ZINC001124350508 1372693732 /nfs/dbraw/zinc/69/37/32/1372693732.db2.gz OYTPVVANKMRUKG-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN CN(C(=O)COCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001124550727 1372711468 /nfs/dbraw/zinc/71/14/68/1372711468.db2.gz HIQBJLMXOJMZGB-UHFFFAOYSA-N 0 0 334.759 3.428 10 5 EGBERN CCCCCN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C(C)C ZINC001124823484 1372733087 /nfs/dbraw/zinc/73/30/87/1372733087.db2.gz QDANHMHWUVIONA-UHFFFAOYSA-N 0 0 345.403 3.216 10 5 EGBERN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001124857045 1372735911 /nfs/dbraw/zinc/73/59/11/1372735911.db2.gz IWIWFGPZJMOKMN-XNJGSVPQSA-N 0 0 345.399 3.125 10 5 EGBERN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001124857044 1372735923 /nfs/dbraw/zinc/73/59/23/1372735923.db2.gz IWIWFGPZJMOKMN-PBFPGSCMSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cncn1 ZINC001124870862 1372737249 /nfs/dbraw/zinc/73/72/49/1372737249.db2.gz ZYNPLEUCRICQBV-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001124881955 1372737932 /nfs/dbraw/zinc/73/79/32/1372737932.db2.gz DGSRXSPOEUCFDY-AWEZNQCLSA-N 0 0 344.342 3.259 10 5 EGBERN COC(=O)c1coc(/C=C/C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001124927867 1372740271 /nfs/dbraw/zinc/74/02/71/1372740271.db2.gz AGXFUBZDXMEZFH-MLRMMBSGSA-N 0 0 345.307 3.292 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nsc2ccccc21 ZINC001125311673 1372769333 /nfs/dbraw/zinc/76/93/33/1372769333.db2.gz PPMVISVXAMFLAZ-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1-n1cccn1 ZINC001125316212 1372769837 /nfs/dbraw/zinc/76/98/37/1372769837.db2.gz MQRQPDBKIIXXBR-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001125389987 1372780660 /nfs/dbraw/zinc/78/06/60/1372780660.db2.gz OMMHMIDKGPCJNG-BRWVUGGUSA-N 0 0 344.798 3.405 10 5 EGBERN CC1(C)OC(=O)c2c1cccc2C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125419189 1372784545 /nfs/dbraw/zinc/78/45/45/1372784545.db2.gz RJYCEDRRDDERGR-UHFFFAOYSA-N 0 0 341.319 3.357 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC(C)(C)c2ccccc2C)n1 ZINC001125704739 1372838943 /nfs/dbraw/zinc/83/89/43/1372838943.db2.gz SHOHYKUYSHRTLC-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN Cc1cc(COCC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)no1 ZINC001126248304 1372952711 /nfs/dbraw/zinc/95/27/11/1372952711.db2.gz OYRTUKHAQCSLSI-UHFFFAOYSA-N 0 0 339.735 3.008 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)n1 ZINC001126316500 1372956580 /nfs/dbraw/zinc/95/65/80/1372956580.db2.gz SZTHIVDMZOLOBG-UHFFFAOYSA-N 0 0 345.786 3.413 10 5 EGBERN CCc1cnc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])o1 ZINC001126906237 1373049705 /nfs/dbraw/zinc/04/97/05/1373049705.db2.gz PNGJNRGCVZXBEE-UHFFFAOYSA-N 0 0 346.162 3.222 10 5 EGBERN Cc1cc(COC(=O)[C@H](C)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001127501230 1373132342 /nfs/dbraw/zinc/13/23/42/1373132342.db2.gz UYNXXTIMBSYKLQ-AWEZNQCLSA-N 0 0 340.379 3.398 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccc(Cl)cc21 ZINC001127643060 1373152228 /nfs/dbraw/zinc/15/22/28/1373152228.db2.gz YOYCMJKTHUEPGN-INIZCTEOSA-N 0 0 330.771 3.247 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2ocnc21 ZINC001128193689 1373233018 /nfs/dbraw/zinc/23/30/18/1373233018.db2.gz TWEMLLZXBMJTQV-UHFFFAOYSA-N 0 0 329.287 3.446 10 5 EGBERN CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C ZINC001128281598 1373245673 /nfs/dbraw/zinc/24/56/73/1373245673.db2.gz QIBZIPAPQXXRQW-NXEZZACHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC001128416279 1373264620 /nfs/dbraw/zinc/26/46/20/1373264620.db2.gz FIXMCKIHRAKDIM-RYUDHWBXSA-N 0 0 338.379 3.366 10 5 EGBERN Cc1ccc(C)c(CC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1 ZINC001129109440 1373346692 /nfs/dbraw/zinc/34/66/92/1373346692.db2.gz ZCKKYKYFXBMISF-UHFFFAOYSA-N 0 0 328.343 3.483 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@H]2CC3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001129149369 1373353237 /nfs/dbraw/zinc/35/32/37/1373353237.db2.gz CYEJLRZTBGJQLN-PPUFBPAQSA-N 0 0 346.383 3.080 10 5 EGBERN CNC(=O)Oc1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001129300138 1373369573 /nfs/dbraw/zinc/36/95/73/1373369573.db2.gz IRZOQPYQLVESQJ-UHFFFAOYSA-N 0 0 343.339 3.182 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ncnc2ccsc21 ZINC001129487296 1373389680 /nfs/dbraw/zinc/38/96/80/1373389680.db2.gz UFBLQCRIXKYULJ-UHFFFAOYSA-N 0 0 328.353 3.414 10 5 EGBERN C[C@H]1C[C@H]1N(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001129642353 1373406908 /nfs/dbraw/zinc/40/69/08/1373406908.db2.gz BJPKIVXFIIJOJJ-SUMWQHHRSA-N 0 0 326.352 3.415 10 5 EGBERN C=COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC001129699791 1373413329 /nfs/dbraw/zinc/41/33/29/1373413329.db2.gz CSISFKCXONGWAF-UHFFFAOYSA-N 0 0 342.307 3.141 10 5 EGBERN COc1c(C(=O)Nc2cc(F)cc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC001130501743 1373552482 /nfs/dbraw/zinc/55/24/82/1373552482.db2.gz MOAIXVPXLMBVOP-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc(C3CC3)c(C)o2)cc1[N+](=O)[O-] ZINC001130650336 1373575705 /nfs/dbraw/zinc/57/57/05/1373575705.db2.gz ZJNBHUBLGCAJPA-UHFFFAOYSA-N 0 0 331.328 3.420 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc2occc2c1 ZINC001130709858 1373583328 /nfs/dbraw/zinc/58/33/28/1373583328.db2.gz KCUSOEOJNQUNKR-UHFFFAOYSA-N 0 0 326.308 3.036 10 5 EGBERN CN(C)c1cc(F)cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001130711282 1373583478 /nfs/dbraw/zinc/58/34/78/1373583478.db2.gz ACKSEJJIOFIGBW-UHFFFAOYSA-N 0 0 335.310 3.120 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2scnc21 ZINC001130850371 1373598229 /nfs/dbraw/zinc/59/82/29/1373598229.db2.gz UYAGWBJEUPXYIB-UHFFFAOYSA-N 0 0 345.292 3.332 10 5 EGBERN CCCc1ncc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001131049991 1373633118 /nfs/dbraw/zinc/63/31/18/1373633118.db2.gz XXZSHSHFUKMXKJ-UHFFFAOYSA-N 0 0 337.313 3.131 10 5 EGBERN O=C(Nc1ccc2c(c1)COC(=O)N2)c1cc(F)c([N+](=O)[O-])cc1F ZINC001131239500 1373667338 /nfs/dbraw/zinc/66/73/38/1373667338.db2.gz ZBPODUCLLFRWBX-UHFFFAOYSA-N 0 0 349.249 3.187 10 5 EGBERN O=C(c1c2ccccc2cc2ccccc21)N1CC[C@]2(CNC(=O)C2)C1 ZINC001326780188 1388307987 /nfs/dbraw/zinc/30/79/87/1388307987.db2.gz FDYNBISYKIUEJK-QFIPXVFZSA-N 0 0 344.414 3.345 10 5 EGBERN CN(C)C(=O)OCOc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC001188493863 1388319230 /nfs/dbraw/zinc/31/92/30/1388319230.db2.gz JSVBEGWOAVKYQX-UHFFFAOYSA-N 0 0 330.340 3.220 10 5 EGBERN COCCOCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001132015073 1375099729 /nfs/dbraw/zinc/09/97/29/1375099729.db2.gz GGEMASZEXPUQIT-UHFFFAOYSA-N 0 0 330.340 3.010 10 5 EGBERN O=[N+]([O-])c1ccc(OCn2nnc3ccccc32)c(C(F)(F)F)c1 ZINC001188669684 1388357648 /nfs/dbraw/zinc/35/76/48/1388357648.db2.gz PWBPDKJTTGEELQ-UHFFFAOYSA-N 0 0 338.245 3.395 10 5 EGBERN COc1cccc(C(=O)NCc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC001132121830 1375158189 /nfs/dbraw/zinc/15/81/89/1375158189.db2.gz MYRGUOFMRDIMNP-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN Cc1ccc(CNC(=O)/C=C/c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC001132418766 1375366048 /nfs/dbraw/zinc/36/60/48/1375366048.db2.gz LMOPXWNWWJENTL-FNORWQNLSA-N 0 0 331.759 3.281 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132418990 1375367039 /nfs/dbraw/zinc/36/70/39/1375367039.db2.gz RSDVOPZJOZUGIE-UHFFFAOYSA-N 0 0 347.302 3.189 10 5 EGBERN Cc1ccc(CNC(=O)c2cncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001132636905 1375492952 /nfs/dbraw/zinc/49/29/52/1375492952.db2.gz BRWNTIYAPQUTKO-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(CC(C)C)cc1 ZINC001132747722 1375543976 /nfs/dbraw/zinc/54/39/76/1375543976.db2.gz ZYXQFMDHDKVCGL-UHFFFAOYSA-N 0 0 329.356 3.449 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCOc1ccc(C)c(C)c1 ZINC001132747119 1375544191 /nfs/dbraw/zinc/54/41/91/1375544191.db2.gz ACPJXXQZPZFNEG-UHFFFAOYSA-N 0 0 345.355 3.023 10 5 EGBERN O=C(NC[C@H]1C=CCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001132891399 1375628651 /nfs/dbraw/zinc/62/86/51/1375628651.db2.gz AWYWHKCSNOQNAW-VIFPVBQESA-N 0 0 325.162 3.053 10 5 EGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1(CF)CCC1 ZINC001327135829 1388397027 /nfs/dbraw/zinc/39/70/27/1388397027.db2.gz ZIOTZMKFEKSWOS-UHFFFAOYSA-N 0 0 331.141 3.436 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001133336685 1375930093 /nfs/dbraw/zinc/93/00/93/1375930093.db2.gz ITSTXFPBLDCLGT-LBPRGKRZSA-N 0 0 342.351 3.181 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)ccc1[N+](=O)[O-] ZINC001133476381 1376030576 /nfs/dbraw/zinc/03/05/76/1376030576.db2.gz WKMLQAZGXXAVRF-XJKSGUPXSA-N 0 0 330.315 3.105 10 5 EGBERN COc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1OC ZINC001133486065 1376036099 /nfs/dbraw/zinc/03/60/99/1376036099.db2.gz AFLFODRHGWXTJW-UHFFFAOYSA-N 0 0 330.340 3.183 10 5 EGBERN Cc1ccc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001133517427 1376050940 /nfs/dbraw/zinc/05/09/40/1376050940.db2.gz UXQFMURYVZCYSH-LBPRGKRZSA-N 0 0 326.352 3.157 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCCC1(c2ccccc2)CC1 ZINC001133715551 1376171419 /nfs/dbraw/zinc/17/14/19/1376171419.db2.gz JZFZUSYAUYTOKI-UHFFFAOYSA-N 0 0 340.379 3.212 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCSc2ccc(F)cc2F)c1=O ZINC001188988982 1388427981 /nfs/dbraw/zinc/42/79/81/1388427981.db2.gz WFYYDIISOPUYRT-UHFFFAOYSA-N 0 0 326.324 3.135 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)n1 ZINC001133935017 1376271925 /nfs/dbraw/zinc/27/19/25/1376271925.db2.gz XWDSSRHTKJSLAY-VIFPVBQESA-N 0 0 349.293 3.004 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@]2(C)CCOc3ccccc32)c1F ZINC001134043862 1376328957 /nfs/dbraw/zinc/32/89/57/1376328957.db2.gz OCGDDFAKLFTXBF-GOSISDBHSA-N 0 0 344.342 3.470 10 5 EGBERN CN(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001134146613 1376387472 /nfs/dbraw/zinc/38/74/72/1376387472.db2.gz DWFIYNZVUPMFRX-UHFFFAOYSA-N 0 0 349.774 3.332 10 5 EGBERN C[C@H]1CC(C)(C)c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c21 ZINC001134155955 1376390830 /nfs/dbraw/zinc/39/08/30/1376390830.db2.gz ZGXMUMRGPJHPKZ-NSHDSACASA-N 0 0 328.372 3.215 10 5 EGBERN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134271671 1376447442 /nfs/dbraw/zinc/44/74/42/1376447442.db2.gz ZPNISVDCUHLJLX-STQMWFEESA-N 0 0 346.358 3.421 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001134536213 1376581530 /nfs/dbraw/zinc/58/15/30/1376581530.db2.gz CDRSYLVDSYXWPG-LTGQISBOSA-N 0 0 343.427 3.169 10 5 EGBERN CC1(C)CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)O1 ZINC001134582640 1376607442 /nfs/dbraw/zinc/60/74/42/1376607442.db2.gz XCISCTRXHUWQKM-OAHLLOKOSA-N 0 0 345.399 3.013 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CSC[C@@]2(C)C1 ZINC001134595593 1376617734 /nfs/dbraw/zinc/61/77/34/1376617734.db2.gz CVZHTQKCSXDRPI-RVKKMQEKSA-N 0 0 348.468 3.375 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001134846264 1376751721 /nfs/dbraw/zinc/75/17/21/1376751721.db2.gz MBMMSOFLFWNUSK-HIFRSBDPSA-N 0 0 348.399 3.143 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001135055344 1376870531 /nfs/dbraw/zinc/87/05/31/1376870531.db2.gz JOWJWHSIGKVABQ-JSGCOSHPSA-N 0 0 336.363 3.055 10 5 EGBERN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001135145318 1376933521 /nfs/dbraw/zinc/93/35/21/1376933521.db2.gz PCQOXJOWVVYARE-LBPRGKRZSA-N 0 0 342.351 3.417 10 5 EGBERN CCc1cc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)no1 ZINC001135192371 1376963846 /nfs/dbraw/zinc/96/38/46/1376963846.db2.gz QEBBQBAWOWEDDE-UHFFFAOYSA-N 0 0 326.312 3.133 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC001135312172 1377032618 /nfs/dbraw/zinc/03/26/18/1377032618.db2.gz FHBAQZKWRYEUKI-WCQYABFASA-N 0 0 349.387 3.063 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001135351136 1377048401 /nfs/dbraw/zinc/04/84/01/1377048401.db2.gz IDIJNCUPWZQPLS-UHFFFAOYSA-N 0 0 348.742 3.201 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC001135799316 1377213131 /nfs/dbraw/zinc/21/31/31/1377213131.db2.gz DACOHDSDBOPSCX-AWEZNQCLSA-N 0 0 329.381 3.144 10 5 EGBERN CCCN(CCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001266558854 1377332388 /nfs/dbraw/zinc/33/23/88/1377332388.db2.gz VOOKMBWWYAEXHA-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2[nH]1 ZINC001136626937 1377410730 /nfs/dbraw/zinc/41/07/30/1377410730.db2.gz QYGYRQUMGABRNB-UHFFFAOYSA-N 0 0 342.380 3.123 10 5 EGBERN Nc1c(Cl)ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1Cl ZINC001136812202 1377425780 /nfs/dbraw/zinc/42/57/80/1377425780.db2.gz YXBHSURHFJGAEX-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCS1 ZINC001137081928 1377475117 /nfs/dbraw/zinc/47/51/17/1377475117.db2.gz MJQAHGBZXHRJDG-LBPRGKRZSA-N 0 0 343.836 3.044 10 5 EGBERN COc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1O ZINC001137852261 1377631045 /nfs/dbraw/zinc/63/10/45/1377631045.db2.gz RUYGLOGLJLDIAD-UHFFFAOYSA-N 0 0 334.303 3.019 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc3ccccn3n2)c1F ZINC001140505439 1378074688 /nfs/dbraw/zinc/07/46/88/1378074688.db2.gz OLICOJDHGIHOOG-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN Cc1[nH][nH]c(=O)c1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001141578578 1378345905 /nfs/dbraw/zinc/34/59/05/1378345905.db2.gz UBJIZFCOZXUKNA-UHFFFAOYSA-N 0 0 349.105 3.030 10 5 EGBERN COc1cccc(C[C@H](C)CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001141767323 1378372810 /nfs/dbraw/zinc/37/28/10/1378372810.db2.gz FQJWFFHJQUNERQ-LBPRGKRZSA-N 0 0 343.383 3.393 10 5 EGBERN Cc1ccc(-c2[nH]nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)o1 ZINC001141831810 1378382659 /nfs/dbraw/zinc/38/26/59/1378382659.db2.gz WSJBNNPONUEWNC-UHFFFAOYSA-N 0 0 340.339 3.376 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CCc1ccccn1 ZINC001142046707 1378408205 /nfs/dbraw/zinc/40/82/05/1378408205.db2.gz IXCZUUFUZQRVLP-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001142048593 1378408452 /nfs/dbraw/zinc/40/84/52/1378408452.db2.gz SJNPUUOPZCMFQB-HSZRJFAPSA-N 0 0 333.369 3.191 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)cc(=O)[nH]1 ZINC001142815583 1378490857 /nfs/dbraw/zinc/49/08/57/1378490857.db2.gz YLWHAXHBYVEJRZ-CYBMUJFWSA-N 0 0 329.356 3.211 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001143093097 1378538296 /nfs/dbraw/zinc/53/82/96/1378538296.db2.gz MHJBXGHZOSHMJF-GUYCJALGSA-N 0 0 329.331 3.460 10 5 EGBERN CSc1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)co1 ZINC001143382821 1378590720 /nfs/dbraw/zinc/59/07/20/1378590720.db2.gz HAHJZFOKBZJRMQ-UHFFFAOYSA-N 0 0 328.296 3.118 10 5 EGBERN Cc1cccc(OC(F)F)c1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001143402119 1378592875 /nfs/dbraw/zinc/59/28/75/1378592875.db2.gz GHKSHUFKIHLFDV-UHFFFAOYSA-N 0 0 346.677 3.133 10 5 EGBERN CCCCC1CCC(c2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])n[nH]2)CC1 ZINC001144077358 1378679644 /nfs/dbraw/zinc/67/96/44/1378679644.db2.gz TZQAKVNZYLKKIZ-UJFKTDLFSA-N 0 0 334.420 3.477 10 5 EGBERN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC001144162420 1378689360 /nfs/dbraw/zinc/68/93/60/1378689360.db2.gz LSWUFQOHOWRVIX-UHFFFAOYSA-N 0 0 347.281 3.299 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001147136627 1378975598 /nfs/dbraw/zinc/97/55/98/1378975598.db2.gz ZABAKTADPYMLEH-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN O=C(c1cccc(-c2cnco2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001147566089 1379044239 /nfs/dbraw/zinc/04/42/39/1379044239.db2.gz IRRWIESZMMAZFZ-UHFFFAOYSA-N 0 0 335.319 3.453 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001148416471 1379168586 /nfs/dbraw/zinc/16/85/86/1379168586.db2.gz XNAAKTLMBBGDLS-WDEREUQCSA-N 0 0 328.340 3.044 10 5 EGBERN CCc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001149019576 1379312138 /nfs/dbraw/zinc/31/21/38/1379312138.db2.gz ORHSTTIISRRQCI-UHFFFAOYSA-N 0 0 327.384 3.405 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nnc([C@H]3CCCO3)o2)c1 ZINC001327948187 1388631523 /nfs/dbraw/zinc/63/15/23/1388631523.db2.gz DBKPSACYUWEXAO-OAHLLOKOSA-N 0 0 344.371 3.487 10 5 EGBERN Cc1ccc(CC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1O ZINC001152464628 1379938714 /nfs/dbraw/zinc/93/87/14/1379938714.db2.gz RUZJCQHYIYDDBZ-UHFFFAOYSA-N 0 0 326.352 3.049 10 5 EGBERN C[C@@H](C(=O)Nc1cc(CC2CC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC001152522547 1379944930 /nfs/dbraw/zinc/94/49/30/1379944930.db2.gz PTPGGCRIEVLLQL-SECBINFHSA-N 0 0 332.335 3.152 10 5 EGBERN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC001152593304 1379955262 /nfs/dbraw/zinc/95/52/62/1379955262.db2.gz XQAREUGRYDFUEY-LLVKDONJSA-N 0 0 333.775 3.106 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2c[nH]nc2cc1C ZINC001154214262 1380230088 /nfs/dbraw/zinc/23/00/88/1380230088.db2.gz LWNRJIAKDGZAJB-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN Cc1c(CNC(=O)c2ccc(Cl)c(F)c2N)cccc1[N+](=O)[O-] ZINC001154302041 1380251121 /nfs/dbraw/zinc/25/11/21/1380251121.db2.gz XZKRWGVDGFAEFJ-UHFFFAOYSA-N 0 0 337.738 3.208 10 5 EGBERN C[C@H]1CCCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154854024 1380365586 /nfs/dbraw/zinc/36/55/86/1380365586.db2.gz TUJDYHXNMNAWGW-JSGCOSHPSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC001157823880 1381044540 /nfs/dbraw/zinc/04/45/40/1381044540.db2.gz FUSJLIAMOYNPGN-JTQLQIEISA-N 0 0 332.331 3.109 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([Si](C)(C)C)cc1 ZINC001157840326 1381048592 /nfs/dbraw/zinc/04/85/92/1381048592.db2.gz TZICRUKBCAQYQW-UHFFFAOYSA-N 0 0 342.471 3.378 10 5 EGBERN CCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001158223298 1381164751 /nfs/dbraw/zinc/16/47/51/1381164751.db2.gz IHOZTBPANCOURA-UHFFFAOYSA-N 0 0 342.355 3.086 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC001158973711 1381492602 /nfs/dbraw/zinc/49/26/02/1381492602.db2.gz QSFSUJRITOYPIG-WBVHZDCISA-N 0 0 336.432 3.176 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C ZINC001158973986 1381493785 /nfs/dbraw/zinc/49/37/85/1381493785.db2.gz RMKSNIPCXIJVBO-WMLDXEAASA-N 0 0 336.432 3.231 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001288079917 1381562874 /nfs/dbraw/zinc/56/28/74/1381562874.db2.gz FNUMTCXISVUCQF-CQSZACIVSA-N 0 0 336.294 3.183 10 5 EGBERN CCOC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCCC1 ZINC001159486710 1381805942 /nfs/dbraw/zinc/80/59/42/1381805942.db2.gz ZPHFGURIRHLQTI-UHFFFAOYSA-N 0 0 344.770 3.466 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1F ZINC001288788065 1381939861 /nfs/dbraw/zinc/93/98/61/1381939861.db2.gz ODDZSSPUYMGJNP-CJNGLKHVSA-N 0 0 348.305 3.244 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC001288852177 1381949691 /nfs/dbraw/zinc/94/96/91/1381949691.db2.gz ACVVHRPWUZDSQV-APPDUMDISA-N 0 0 335.379 3.110 10 5 EGBERN C[S@@](=O)(=NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001289018554 1381972841 /nfs/dbraw/zinc/97/28/41/1381972841.db2.gz IDHKOYWZGRTKOE-DEOSSOPVSA-N 0 0 347.396 3.080 10 5 EGBERN NC(=O)c1ncc(NC(=O)c2cc3ccccc3c3cccnc23)s1 ZINC001289070695 1381975917 /nfs/dbraw/zinc/97/59/17/1381975917.db2.gz JIOLOOYAIVJSBZ-UHFFFAOYSA-N 0 0 348.387 3.196 10 5 EGBERN CCNc1ccc(C(=O)Nc2nccnc2C(C)C)cc1[N+](=O)[O-] ZINC001289190432 1381978925 /nfs/dbraw/zinc/97/89/25/1381978925.db2.gz YJHHHFGQLRBDDZ-UHFFFAOYSA-N 0 0 329.360 3.192 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001289904341 1382018868 /nfs/dbraw/zinc/01/88/68/1382018868.db2.gz REVNWCHXNMKJLJ-VIFPVBQESA-N 0 0 337.376 3.352 10 5 EGBERN Cc1ccc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)cc1[N+](=O)[O-] ZINC001290430005 1382090547 /nfs/dbraw/zinc/09/05/47/1382090547.db2.gz ONBYKIHGGAPGAN-SFHVURJKSA-N 0 0 339.351 3.425 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NCc1ccccc1OC(F)(F)F ZINC001328504647 1388766289 /nfs/dbraw/zinc/76/62/89/1388766289.db2.gz SIWPMLWBQYTROK-UHFFFAOYSA-N 0 0 327.262 3.231 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cccc2ccccc21 ZINC001293182605 1382266146 /nfs/dbraw/zinc/26/61/46/1382266146.db2.gz FEXQHZDYZMIDQO-UHFFFAOYSA-N 0 0 335.363 3.303 10 5 EGBERN CNc1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)cc1[N+](=O)[O-] ZINC001161344022 1382377493 /nfs/dbraw/zinc/37/74/93/1382377493.db2.gz BPTZQROUUKYGQK-UHFFFAOYSA-N 0 0 331.759 3.446 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ccc(C3CC3)[nH]c2=O)cc1[N+](=O)[O-] ZINC001294094893 1382416964 /nfs/dbraw/zinc/41/69/64/1382416964.db2.gz QIGCITJSAYLVGB-NSHDSACASA-N 0 0 341.367 3.372 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001294095535 1382416968 /nfs/dbraw/zinc/41/69/68/1382416968.db2.gz VUMVIWYECCPMAW-FZKQIMNGSA-N 0 0 334.416 3.412 10 5 EGBERN CCc1ccc(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)cc1[N+](=O)[O-] ZINC001161511789 1382427617 /nfs/dbraw/zinc/42/76/17/1382427617.db2.gz MGCUKUYYGAQNBZ-XMMPIXPASA-N 0 0 347.396 3.445 10 5 EGBERN Cc1[nH]nc(Cl)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001294218633 1382428508 /nfs/dbraw/zinc/42/85/08/1382428508.db2.gz IZJSOZGZRGDTEQ-UHFFFAOYSA-N 0 0 336.779 3.032 10 5 EGBERN CCc1onc(C)c1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001295085703 1382531118 /nfs/dbraw/zinc/53/11/18/1382531118.db2.gz UZOZOVXTIPKUSQ-UHFFFAOYSA-N 0 0 327.699 3.498 10 5 EGBERN O=C(CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])NC1CCCC1 ZINC001162068269 1382619244 /nfs/dbraw/zinc/61/92/44/1382619244.db2.gz PABZJKBGSCUIDK-UHFFFAOYSA-N 0 0 332.187 3.372 10 5 EGBERN C[C@](O)(CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccco1 ZINC001162644221 1382819470 /nfs/dbraw/zinc/81/94/70/1382819470.db2.gz HXSDNIBIRQJOCE-HNNXBMFYSA-N 0 0 348.746 3.104 10 5 EGBERN CC(C)[C@@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC001162921684 1382917734 /nfs/dbraw/zinc/91/77/34/1382917734.db2.gz JYJVDDOFDOQAJY-LRDDRELGSA-N 0 0 333.363 3.320 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)cc(C)c1 ZINC001163055252 1382955941 /nfs/dbraw/zinc/95/59/41/1382955941.db2.gz UZRYOJXEQMQKFJ-UHFFFAOYSA-N 0 0 329.356 3.271 10 5 EGBERN CCOC1CC(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001163099978 1382965269 /nfs/dbraw/zinc/96/52/69/1382965269.db2.gz RXJRVVIHMHYAII-UHFFFAOYSA-N 0 0 333.363 3.321 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC001163274088 1383010812 /nfs/dbraw/zinc/01/08/12/1383010812.db2.gz ZIFYTTYWXJXJLQ-HNNXBMFYSA-N 0 0 336.342 3.395 10 5 EGBERN COc1cc(C)nc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001163334875 1383024954 /nfs/dbraw/zinc/02/49/54/1383024954.db2.gz OHDJZKIDMZORQM-AWEZNQCLSA-N 0 0 328.372 3.086 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCCSC3)c2c1 ZINC001163419963 1383047963 /nfs/dbraw/zinc/04/79/63/1383047963.db2.gz VYOKEIPIWUVFOP-SNVBAGLBSA-N 0 0 348.384 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Oc2nnc(-c3ccccn3)s2)c1 ZINC001163566268 1383080617 /nfs/dbraw/zinc/08/06/17/1383080617.db2.gz UMVKPNHCLLEVLY-UHFFFAOYSA-N 0 0 330.325 3.309 10 5 EGBERN CC[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)OC ZINC001163591316 1383084185 /nfs/dbraw/zinc/08/41/85/1383084185.db2.gz SITIYRHAJLERJP-NSHDSACASA-N 0 0 347.346 3.407 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CSc4ccccc4O3)nc2c1 ZINC001163590860 1383084370 /nfs/dbraw/zinc/08/43/70/1383084370.db2.gz MRCTYNFQYVKHIP-NSHDSACASA-N 0 0 342.380 3.436 10 5 EGBERN Cc1nc(-c2cccc(CNc3ccncc3[N+](=O)[O-])c2)cs1 ZINC001163823581 1383125839 /nfs/dbraw/zinc/12/58/39/1383125839.db2.gz MMJHYOQYNRHJNV-UHFFFAOYSA-N 0 0 326.381 3.456 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@]12C[C@H]1CCCC2 ZINC001163906587 1383134712 /nfs/dbraw/zinc/13/47/12/1383134712.db2.gz LQPROVIFZCJXBS-YMTOWFKASA-N 0 0 346.355 3.336 10 5 EGBERN COc1ccc(F)cc1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC001164124712 1383158624 /nfs/dbraw/zinc/15/86/24/1383158624.db2.gz NIJWFFOOZDIXNW-UHFFFAOYSA-N 0 0 336.348 3.106 10 5 EGBERN C[C@@H]1C[C@]2(CC[C@@H](CNc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC001164165388 1383161905 /nfs/dbraw/zinc/16/19/05/1383161905.db2.gz ZRGXOTMXKMKLRD-IFUGULHKSA-N 0 0 326.780 3.387 10 5 EGBERN CC[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001164185302 1383164063 /nfs/dbraw/zinc/16/40/63/1383164063.db2.gz AYPWFXJBCXEAOF-SNVBAGLBSA-N 0 0 339.348 3.283 10 5 EGBERN CSc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1C ZINC001164404702 1383184776 /nfs/dbraw/zinc/18/47/76/1383184776.db2.gz PCCIUZLGEXFKHW-UHFFFAOYSA-N 0 0 326.765 3.254 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccncc1Br)CC2 ZINC001328757007 1388846438 /nfs/dbraw/zinc/84/64/38/1388846438.db2.gz UWBUGAAUEWHFRI-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CSc1cnccn1 ZINC001165702137 1383327673 /nfs/dbraw/zinc/32/76/73/1383327673.db2.gz HYUWBFFGEYIVTL-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc(C)cc2SC)c1[N+](=O)[O-] ZINC001299453804 1383532175 /nfs/dbraw/zinc/53/21/75/1383532175.db2.gz XABJPCOJTZLSHV-UHFFFAOYSA-N 0 0 332.385 3.314 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001299863177 1383632520 /nfs/dbraw/zinc/63/25/20/1383632520.db2.gz ZWIIDWFHOJNNPV-UHFFFAOYSA-N 0 0 338.323 3.143 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)OC)c1 ZINC001299859461 1383632874 /nfs/dbraw/zinc/63/28/74/1383632874.db2.gz ZGZMEGLAOWHYSP-UHFFFAOYSA-N 0 0 344.327 3.067 10 5 EGBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001300589213 1383672482 /nfs/dbraw/zinc/67/24/82/1383672482.db2.gz FWZMZVNDUVPXCC-ZZXKWVIFSA-N 0 0 343.270 3.233 10 5 EGBERN Nc1c(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001300908785 1383685693 /nfs/dbraw/zinc/68/56/93/1383685693.db2.gz IKJXWHQBZCDIHS-XHNCKOQMSA-N 0 0 341.770 3.136 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1[N+](=O)[O-] ZINC001302608818 1383760982 /nfs/dbraw/zinc/76/09/82/1383760982.db2.gz NCKJTROBKRQZGQ-YLJYHZDGSA-N 0 0 336.391 3.424 10 5 EGBERN Cc1ccc(CNC(=O)c2c[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] ZINC001302607992 1383761106 /nfs/dbraw/zinc/76/11/06/1383761106.db2.gz CWUSWQFVOVWXRF-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1cccnc1 ZINC001303455257 1383799401 /nfs/dbraw/zinc/79/94/01/1383799401.db2.gz AFMMHRWZBONLJK-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN C[C@@H]1CC[C@@H](CC(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001303528599 1383802973 /nfs/dbraw/zinc/80/29/73/1383802973.db2.gz NZDRQNZADGAADH-CHWSQXEVSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1csc(Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)cc2)n1 ZINC001303573748 1383807285 /nfs/dbraw/zinc/80/72/85/1383807285.db2.gz VHHDFVHPAASZHE-UHFFFAOYSA-N 0 0 344.356 3.079 10 5 EGBERN C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC(C)(C)C1 ZINC001306833323 1383908439 /nfs/dbraw/zinc/90/84/39/1383908439.db2.gz BNXIEYJQUBRXBJ-VXGBXAGGSA-N 0 0 335.404 3.278 10 5 EGBERN COc1ccccc1CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001306908055 1383919199 /nfs/dbraw/zinc/91/91/99/1383919199.db2.gz AYKIYRWRYLOGJC-UHFFFAOYSA-N 0 0 331.372 3.440 10 5 EGBERN Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001306922421 1383921179 /nfs/dbraw/zinc/92/11/79/1383921179.db2.gz NFLZZVFEWDJXRI-PHIMTYICSA-N 0 0 327.450 3.264 10 5 EGBERN CC(C)(C)C[C@@H](O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001306968228 1383927042 /nfs/dbraw/zinc/92/70/42/1383927042.db2.gz AHLHGSIRWBOQNN-SNVBAGLBSA-N 0 0 337.807 3.427 10 5 EGBERN O=c1[nH]c2ccccc2n1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001306990999 1383930813 /nfs/dbraw/zinc/93/08/13/1383930813.db2.gz RQVNTPBXGILRQB-UHFFFAOYSA-N 0 0 349.350 3.310 10 5 EGBERN CCc1cc(NC[C@H]2CCCS2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307000847 1383932577 /nfs/dbraw/zinc/93/25/77/1383932577.db2.gz JSUZRWLLNXVMIQ-OAHLLOKOSA-N 0 0 344.440 3.344 10 5 EGBERN COC(=O)c1ccnc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC001307111464 1383941784 /nfs/dbraw/zinc/94/17/84/1383941784.db2.gz ZBAJHLYAXBCVGJ-UHFFFAOYSA-N 0 0 344.110 3.271 10 5 EGBERN CC(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001307152372 1383946863 /nfs/dbraw/zinc/94/68/63/1383946863.db2.gz ACDGVHXCHCMZEN-SNVBAGLBSA-N 0 0 343.811 3.091 10 5 EGBERN COC(=O)c1coc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n1 ZINC001307157463 1383947586 /nfs/dbraw/zinc/94/75/86/1383947586.db2.gz QVFGEHQEZXUXKM-UHFFFAOYSA-N 0 0 346.126 3.288 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CO[C@H](C2CC2)C1 ZINC001307181014 1383951784 /nfs/dbraw/zinc/95/17/84/1383951784.db2.gz MPXUGVDCPCDCRA-NHYWBVRUSA-N 0 0 333.775 3.198 10 5 EGBERN CCc1ccc(CN2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC001307197492 1383954919 /nfs/dbraw/zinc/95/49/19/1383954919.db2.gz BNMRZAIPIDFEET-UHFFFAOYSA-N 0 0 340.427 3.183 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2c3ccccc3OC[C@H]2F)nc2ccccn21 ZINC001307206503 1383957312 /nfs/dbraw/zinc/95/73/12/1383957312.db2.gz PICIGFGRDZQUPI-RISCZKNCSA-N 0 0 328.303 3.126 10 5 EGBERN C[C@H](CNc1ncncc1Br)c1ccccc1[N+](=O)[O-] ZINC001307220562 1383959260 /nfs/dbraw/zinc/95/92/60/1383959260.db2.gz YDKDSICUVCLSTN-SECBINFHSA-N 0 0 337.177 3.363 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(C(F)(F)F)co1 ZINC001307265005 1383964956 /nfs/dbraw/zinc/96/49/56/1383964956.db2.gz HNCVGMFPOHTYNN-UHFFFAOYSA-N 0 0 349.286 3.489 10 5 EGBERN COC(=O)c1ccc(OCCCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001307275005 1383965462 /nfs/dbraw/zinc/96/54/62/1383965462.db2.gz XWHWFNFARRQJGA-UHFFFAOYSA-N 0 0 344.367 3.287 10 5 EGBERN COc1cc(CN2CCN(C)c3cc(F)ccc32)c([N+](=O)[O-])cc1F ZINC001307562946 1384003313 /nfs/dbraw/zinc/00/33/13/1384003313.db2.gz XAWDXENIBMIDSR-UHFFFAOYSA-N 0 0 349.337 3.338 10 5 EGBERN CCOC(=O)[C@@](C)(NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001308088097 1384088490 /nfs/dbraw/zinc/08/84/90/1384088490.db2.gz HQRWDUIRDRPDBN-IBGZPJMESA-N 0 0 342.395 3.471 10 5 EGBERN CN(CCNC(=O)C(C)(C)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001316594826 1384463636 /nfs/dbraw/zinc/46/36/36/1384463636.db2.gz RIMKIXWGVAEFGP-UHFFFAOYSA-N 0 0 347.337 3.126 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001329007219 1388926064 /nfs/dbraw/zinc/92/60/64/1388926064.db2.gz HFUBJNYMVQFGFF-FJPPDTINSA-N 0 0 328.340 3.090 10 5 EGBERN O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccc(F)cn3)CC2)cc1 ZINC001174717463 1385139052 /nfs/dbraw/zinc/13/90/52/1385139052.db2.gz YXWJFRYSAQAFJV-UHFFFAOYSA-N 0 0 345.374 3.387 10 5 EGBERN CCc1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)nc1 ZINC001175798197 1385408360 /nfs/dbraw/zinc/40/83/60/1385408360.db2.gz YLNQPYMFDPQXMN-UHFFFAOYSA-N 0 0 338.726 3.179 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)C(C)C ZINC001317805686 1385502408 /nfs/dbraw/zinc/50/24/08/1385502408.db2.gz AXPVAXMPBYRPDP-UHFFFAOYSA-N 0 0 327.384 3.392 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@H]1c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001176785211 1385696435 /nfs/dbraw/zinc/69/64/35/1385696435.db2.gz KGSHBUMMUDGITL-CJNGLKHVSA-N 0 0 340.383 3.242 10 5 EGBERN C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176972128 1385760007 /nfs/dbraw/zinc/76/00/07/1385760007.db2.gz YJXMOQVJWSUQME-GHMZBOCLSA-N 0 0 343.221 3.357 10 5 EGBERN CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182599681 1387194684 /nfs/dbraw/zinc/19/46/84/1387194684.db2.gz CTBHJOSQVXKTGV-MFKMUULPSA-N 0 0 329.360 3.145 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1-c1nnc(CCOc2ccccc2)o1 ZINC001322571822 1387207652 /nfs/dbraw/zinc/20/76/52/1387207652.db2.gz OZNUYJKDSVKVDL-UHFFFAOYSA-N 0 0 341.323 3.275 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCc2nccnc21 ZINC001329587722 1389168690 /nfs/dbraw/zinc/16/86/90/1389168690.db2.gz NOPSVJHDFXEZLR-YUQCYMQKSA-N 0 0 339.351 3.409 10 5 EGBERN O=C(N1CC[C@@H]2OCCC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329754044 1389218864 /nfs/dbraw/zinc/21/88/64/1389218864.db2.gz IPKJOFOTNWJGCB-YOEHRIQHSA-N 0 0 344.411 3.044 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC001330174271 1389325843 /nfs/dbraw/zinc/32/58/43/1389325843.db2.gz OFBXYTHCLGJRSH-VIFPVBQESA-N 0 0 333.262 3.338 10 5 EGBERN O=C(C[C@H](n1cccn1)C(F)(F)F)OCc1csc([N+](=O)[O-])c1 ZINC001330281751 1389377236 /nfs/dbraw/zinc/37/72/36/1389377236.db2.gz WJWNACSWAPVIOD-VIFPVBQESA-N 0 0 349.290 3.090 10 5 EGBERN COc1ccccc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001330354943 1389396145 /nfs/dbraw/zinc/39/61/45/1389396145.db2.gz SPABGCSIZQPEHE-CQSZACIVSA-N 0 0 342.399 3.476 10 5 EGBERN Cc1nc(CC(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)sc1C ZINC001337653336 1389409513 /nfs/dbraw/zinc/40/95/13/1389409513.db2.gz LTVMGTMVZBCUIX-UHFFFAOYSA-N 0 0 349.412 3.020 10 5 EGBERN COc1c(C(=O)N2CCc3ccsc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC001331521874 1389782145 /nfs/dbraw/zinc/78/21/45/1389782145.db2.gz UBGINJCHJHEJJA-JTQLQIEISA-N 0 0 332.381 3.424 10 5 EGBERN COc1c(C(=O)N2CCc3ccsc3[C@H]2C)cccc1[N+](=O)[O-] ZINC001331521875 1389782641 /nfs/dbraw/zinc/78/26/41/1389782641.db2.gz UBGINJCHJHEJJA-SNVBAGLBSA-N 0 0 332.381 3.424 10 5 EGBERN CCC(=O)c1ccc(NCCc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC001331553121 1389796943 /nfs/dbraw/zinc/79/69/43/1389796943.db2.gz CYZOKHDSDDPTKQ-UHFFFAOYSA-N 0 0 329.356 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(Cl)cncc1Cl ZINC001332223525 1390056668 /nfs/dbraw/zinc/05/66/68/1390056668.db2.gz KMQACJSYHLHZBU-UHFFFAOYSA-N 0 0 326.139 3.279 10 5 EGBERN CC1(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001332246831 1390062984 /nfs/dbraw/zinc/06/29/84/1390062984.db2.gz LUVYTXJUOKCALV-UHFFFAOYSA-N 0 0 327.178 3.164 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332976116 1390228537 /nfs/dbraw/zinc/22/85/37/1390228537.db2.gz RFKINWRTVNWLNL-UHFFFAOYSA-N 0 0 329.312 3.074 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCCO[C@@H]1CC1(F)F ZINC001333217427 1390267771 /nfs/dbraw/zinc/26/77/71/1390267771.db2.gz WKAQSLMMHVZQPF-SNVBAGLBSA-N 0 0 335.690 3.138 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC001344485206 1390794455 /nfs/dbraw/zinc/79/44/55/1390794455.db2.gz OGMSCBNDXQJMCC-PSASIEDQSA-N 0 0 347.293 3.408 10 5 EGBERN O=C(OCCCc1cncs1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345220817 1390849716 /nfs/dbraw/zinc/84/97/16/1390849716.db2.gz TZKAZJCANLQQBL-HUUCEWRRSA-N 0 0 332.381 3.331 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001346129350 1390909857 /nfs/dbraw/zinc/90/98/57/1390909857.db2.gz PKMKOAONJNHEOC-CJNGLKHVSA-N 0 0 336.388 3.001 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCC23CCC(C)(CC2)OC3)c1 ZINC001346187287 1390914026 /nfs/dbraw/zinc/91/40/26/1390914026.db2.gz PUIUAFJLWASKLX-UHFFFAOYSA-N 0 0 335.356 3.110 10 5 EGBERN COc1ccc(NC(=O)N2CCC(CCF)CC2)c([N+](=O)[O-])c1 ZINC001346289247 1390920035 /nfs/dbraw/zinc/92/00/35/1390920035.db2.gz VNLVCFVNIIFQKV-UHFFFAOYSA-N 0 0 325.340 3.207 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@]1(CO)c1ccccc1 ZINC001346466358 1390942408 /nfs/dbraw/zinc/94/24/08/1390942408.db2.gz BLXHZLIEFVPFEH-SFHVURJKSA-N 0 0 341.367 3.110 10 5 EGBERN CO[C@]12CCC[C@]1(COC(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC001347298323 1391050042 /nfs/dbraw/zinc/05/00/42/1391050042.db2.gz GIWDNVKNXWULQE-MSOLQXFVSA-N 0 0 349.383 3.302 10 5 EGBERN COc1ccc(NC(=O)NCC(C)(C)CC(F)F)c([N+](=O)[O-])c1 ZINC001347534185 1391088820 /nfs/dbraw/zinc/08/88/20/1391088820.db2.gz FNGUTPLCGUHKFL-UHFFFAOYSA-N 0 0 331.319 3.406 10 5 EGBERN O=C(N1CC[C@H]1[C@H]1CCCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001347630754 1391103075 /nfs/dbraw/zinc/10/30/75/1391103075.db2.gz PDYWONQOEWGOHR-YOEHRIQHSA-N 0 0 344.411 3.044 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCOCC12CCCC2 ZINC001347747994 1391118899 /nfs/dbraw/zinc/11/88/99/1391118899.db2.gz CGYAIEDPDWRALC-AWEZNQCLSA-N 0 0 337.351 3.205 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001347890742 1391141898 /nfs/dbraw/zinc/14/18/98/1391141898.db2.gz PPABYOCFCLLTHF-JKSUJKDBSA-N 0 0 333.388 3.469 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001348439295 1391220045 /nfs/dbraw/zinc/22/00/45/1391220045.db2.gz UFFFYIZODCNQOL-UHFFFAOYSA-N 0 0 340.213 3.308 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC001348673356 1391251729 /nfs/dbraw/zinc/25/17/29/1391251729.db2.gz KOLSGCIZFOFGNK-UHFFFAOYSA-N 0 0 339.307 3.481 10 5 EGBERN CCCCC(=O)N1CCC2(CN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001698807561 1406490536 /nfs/dbraw/zinc/49/05/36/1406490536.db2.gz UENBWBJNFWHZRL-UHFFFAOYSA-N 0 0 345.443 3.209 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001348793333 1391267912 /nfs/dbraw/zinc/26/79/12/1391267912.db2.gz HMITWCGQSRCSMI-OCCSQVGLSA-N 0 0 338.791 3.422 10 5 EGBERN O=C(O[C@@H]1CCCc2nccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001348824672 1391271809 /nfs/dbraw/zinc/27/18/09/1391271809.db2.gz MASCRCPZBDDDHT-CYBMUJFWSA-N 0 0 333.731 3.273 10 5 EGBERN Cc1cc(NC(=O)[C@@H](NCC(F)(F)F)C(C)C)cc([N+](=O)[O-])c1 ZINC001348844309 1391274368 /nfs/dbraw/zinc/27/43/68/1391274368.db2.gz VKXSRJHLTXONMP-LBPRGKRZSA-N 0 0 333.310 3.018 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1ccnc1 ZINC001349022108 1391297397 /nfs/dbraw/zinc/29/73/97/1391297397.db2.gz NOKHSOJCBZPPSR-HNNXBMFYSA-N 0 0 345.399 3.339 10 5 EGBERN C[C@@H](CNC(=O)NC1([C@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001349145328 1391306628 /nfs/dbraw/zinc/30/66/28/1391306628.db2.gz BIEWZDCIBWRHPR-XJKSGUPXSA-N 0 0 347.415 3.099 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001349384347 1391325942 /nfs/dbraw/zinc/32/59/42/1391325942.db2.gz NCJJXEDTVDPHGA-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1-n1cccn1 ZINC001349434022 1391330103 /nfs/dbraw/zinc/33/01/03/1391330103.db2.gz PPPVPMWFNURNAU-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN C[C@@H]1Cc2cc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)ccc2O1 ZINC001349535602 1391338802 /nfs/dbraw/zinc/33/88/02/1391338802.db2.gz CQDYYXMWJQJJNH-MRVPVSSYSA-N 0 0 334.278 3.449 10 5 EGBERN O=C(NC1([C@@H]2CCCO2)CCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001349822460 1391371928 /nfs/dbraw/zinc/37/19/28/1391371928.db2.gz FODLKFKSGYAZLB-LBPRGKRZSA-N 0 0 342.754 3.219 10 5 EGBERN Cc1ccn2cnc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 ZINC001349899672 1391383146 /nfs/dbraw/zinc/38/31/46/1391383146.db2.gz RLNHHDVAIGRDIL-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001350069264 1391406105 /nfs/dbraw/zinc/40/61/05/1391406105.db2.gz YVJLAJRAUAZCGY-VQIMIIECSA-N 0 0 346.427 3.290 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(C)OCCc2ccccc21 ZINC001350615990 1391490793 /nfs/dbraw/zinc/49/07/93/1391490793.db2.gz SEQWSCYYRGBJOD-GOSISDBHSA-N 0 0 327.336 3.297 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001350890791 1391551248 /nfs/dbraw/zinc/55/12/48/1391551248.db2.gz SNHMDVZDZZUUFN-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN O=C(Nc1cc(-c2cccnc2)[nH]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001350895226 1391552817 /nfs/dbraw/zinc/55/28/17/1391552817.db2.gz WPGBCPXAILQJRA-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN C[C@H](NC(=O)c1cn(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001350904436 1391555060 /nfs/dbraw/zinc/55/50/60/1391555060.db2.gz GHENPMJVPFOROJ-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1c(OC(=O)[C@@]2(C)COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC001351046961 1391587057 /nfs/dbraw/zinc/58/70/57/1391587057.db2.gz DQEZYXSPWSFIAH-QGZVFWFLSA-N 0 0 329.308 3.039 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC001351053858 1391588488 /nfs/dbraw/zinc/58/84/88/1391588488.db2.gz OHABCLMOGLWAAG-NTZNESFSSA-N 0 0 338.354 3.422 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001351055672 1391588832 /nfs/dbraw/zinc/58/88/32/1391588832.db2.gz BBKUTIHVKXXPMB-WQAKAFBOSA-N 0 0 347.321 3.307 10 5 EGBERN O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001351115728 1391599737 /nfs/dbraw/zinc/59/97/37/1391599737.db2.gz CJXJLPGMDSPSTQ-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c(F)ccc2ccncc21 ZINC001351283673 1391620721 /nfs/dbraw/zinc/62/07/21/1391620721.db2.gz QIUUQAMZDWPBIM-UHFFFAOYSA-N 0 0 339.326 3.255 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccn2)nc1 ZINC001351283364 1391620724 /nfs/dbraw/zinc/62/07/24/1391620724.db2.gz OXCFGQNHNQNYHA-UHFFFAOYSA-N 0 0 348.362 3.024 10 5 EGBERN COC(=O)c1ccc(/C=C\C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC001352039862 1391749537 /nfs/dbraw/zinc/74/95/37/1391749537.db2.gz NLVWDFMTVWKAEQ-ALCCZGGFSA-N 0 0 345.307 3.210 10 5 EGBERN CN(CCCOc1ccccc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001352114511 1391760974 /nfs/dbraw/zinc/76/09/74/1391760974.db2.gz SJBXAFPAPBDCOY-UHFFFAOYSA-N 0 0 332.331 3.275 10 5 EGBERN COCCN(CC(C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001352254278 1391777270 /nfs/dbraw/zinc/77/72/70/1391777270.db2.gz JSPQUTLYIQMHBH-UHFFFAOYSA-N 0 0 345.399 3.075 10 5 EGBERN COc1cccc([C@H](C)C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001352604564 1391820942 /nfs/dbraw/zinc/82/09/42/1391820942.db2.gz WYSUNKSNZNTYHY-LBPRGKRZSA-N 0 0 326.352 3.296 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001352648154 1391828566 /nfs/dbraw/zinc/82/85/66/1391828566.db2.gz OOWRKALKWAJPAU-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN CC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001352659497 1391830019 /nfs/dbraw/zinc/83/00/19/1391830019.db2.gz FVLYDMJNMROBEB-UHFFFAOYSA-N 0 0 333.731 3.459 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001353043992 1391921083 /nfs/dbraw/zinc/92/10/83/1391921083.db2.gz YYSNEMCXHUSALQ-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc2ccccc2c1O ZINC001353090558 1391930649 /nfs/dbraw/zinc/93/06/49/1391930649.db2.gz FVYDAYXKMNEMIM-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001353276453 1391981900 /nfs/dbraw/zinc/98/19/00/1391981900.db2.gz VDUHNHQLCAAHJZ-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001353379887 1391999261 /nfs/dbraw/zinc/99/92/61/1391999261.db2.gz MIVFMGMQOPUBCZ-HNNXBMFYSA-N 0 0 343.383 3.155 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C1CC1 ZINC001353619405 1392052286 /nfs/dbraw/zinc/05/22/86/1392052286.db2.gz LIMYKELPHFCJPP-GJZGRUSLSA-N 0 0 331.416 3.339 10 5 EGBERN Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001353651733 1392060520 /nfs/dbraw/zinc/06/05/20/1392060520.db2.gz PHCQACCNMWECEH-QZTJIDSGSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)nn1 ZINC001353860349 1392102872 /nfs/dbraw/zinc/10/28/72/1392102872.db2.gz KTPMCAGTVWPIMV-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN CCOc1cc(NC(=O)c2[nH]ccc2C)c([N+](=O)[O-])cc1OCC ZINC001353842589 1392101777 /nfs/dbraw/zinc/10/17/77/1392101777.db2.gz NANDSJSPBUUEQL-UHFFFAOYSA-N 0 0 333.344 3.281 10 5 EGBERN CC(=O)Nc1c(C)ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1C ZINC001353893455 1392106257 /nfs/dbraw/zinc/10/62/57/1392106257.db2.gz LKCLSTNTVGEPAO-UHFFFAOYSA-N 0 0 342.355 3.126 10 5 EGBERN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001353919632 1392108240 /nfs/dbraw/zinc/10/82/40/1392108240.db2.gz CRFISMDENKJVKZ-UHFFFAOYSA-N 0 0 347.302 3.238 10 5 EGBERN COc1cccc2c(C(=O)NCc3ccccc3[N+](=O)[O-])coc21 ZINC001354563819 1392152804 /nfs/dbraw/zinc/15/28/04/1392152804.db2.gz KNRPDKUFPDLGCA-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN O=C(Nc1cccnc1Cl)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001354680703 1392160775 /nfs/dbraw/zinc/16/07/75/1392160775.db2.gz MPJAVCJOXKTKQO-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1csc(-c2ncc[nH]2)n1 ZINC001355003485 1392184617 /nfs/dbraw/zinc/18/46/17/1392184617.db2.gz IFIJBVVZGAESRM-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001355004213 1392184967 /nfs/dbraw/zinc/18/49/67/1392184967.db2.gz MGBZWNOJYSZNGD-UHFFFAOYSA-N 0 0 347.758 3.388 10 5 EGBERN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001355036538 1392188257 /nfs/dbraw/zinc/18/82/57/1392188257.db2.gz AZCDCBUMKXEKDZ-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001355055148 1392189826 /nfs/dbraw/zinc/18/98/26/1392189826.db2.gz FLXLXDMUGDXPAA-GUYCJALGSA-N 0 0 330.315 3.427 10 5 EGBERN CC[C@H]1COC(C)(C)CN1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001687732857 1396474065 /nfs/dbraw/zinc/47/40/65/1396474065.db2.gz PFQGMVVOJUSBOL-KBPBESRZSA-N 0 0 349.431 3.297 10 5 EGBERN CN(CCNC(=O)c1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001689820464 1404159294 /nfs/dbraw/zinc/15/92/94/1404159294.db2.gz PLHLSNNDAVQJLW-UHFFFAOYSA-N 0 0 349.337 3.399 10 5 EGBERN CCCC(CCC)C(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001699718652 1413131121 /nfs/dbraw/zinc/13/11/21/1413131121.db2.gz TVNVNEVDLFPBRO-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN Cc1cc(C)c(CC(=O)NCCN(C)c2ccccc2[N+](=O)[O-])s1 ZINC001705471537 1417122368 /nfs/dbraw/zinc/12/23/68/1417122368.db2.gz ICUGBPAORZCXNV-UHFFFAOYSA-N 0 0 347.440 3.068 10 5 EGBERN CCCC(=O)NCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001714323901 1419102542 /nfs/dbraw/zinc/10/25/42/1419102542.db2.gz UMBBYFSQHBPENW-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CCN(CCNC(=O)C1=CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714580574 1419319132 /nfs/dbraw/zinc/31/91/32/1419319132.db2.gz KIXHYJFGPQYALX-UHFFFAOYSA-N 0 0 345.443 3.423 10 5 EGBERN CCC(CC)CC(=O)N(C)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001733314502 1429499655 /nfs/dbraw/zinc/49/96/55/1429499655.db2.gz JUWBKAPYGWWEFR-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1[C@H]1C[C@@H]1C ZINC001762529158 1441376408 /nfs/dbraw/zinc/37/64/08/1441376408.db2.gz IGHQLEWEBBDVEB-ZBEGNZNMSA-N 0 0 327.388 3.245 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1N1CCC(Oc2cnccn2)CC1 ZINC000368389250 168349740 /nfs/dbraw/zinc/34/97/40/168349740.db2.gz WBWOSXGSECSBJG-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000172807851 230825272 /nfs/dbraw/zinc/82/52/72/230825272.db2.gz UXOPOFYTLVWVBJ-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN O=C(Nc1ncc(Br)s1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000054416274 214237451 /nfs/dbraw/zinc/23/74/51/214237451.db2.gz QFYAZIAVWBQCTG-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174844955 231323505 /nfs/dbraw/zinc/32/35/05/231323505.db2.gz JZMNOYAYRLXYKZ-ROUUACIJSA-N 0 0 340.379 3.323 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174844962 231323937 /nfs/dbraw/zinc/32/39/37/231323937.db2.gz JZMNOYAYRLXYKZ-QZTJIDSGSA-N 0 0 340.379 3.323 10 5 EGBERN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000175111312 231386478 /nfs/dbraw/zinc/38/64/78/231386478.db2.gz PGAXUCYSBAYWCH-CQSZACIVSA-N 0 0 327.384 3.232 10 5 EGBERN CCc1ccc([C@@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000133717639 529711457 /nfs/dbraw/zinc/71/14/57/529711457.db2.gz SRRRSQMUNKYHGW-OAHLLOKOSA-N 0 0 332.356 3.176 10 5 EGBERN CN(CC1(O)CCCCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186926921 529857025 /nfs/dbraw/zinc/85/70/25/529857025.db2.gz SWKIYLVGYCBJBY-UHFFFAOYSA-N 0 0 345.399 3.233 10 5 EGBERN COc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000004264304 210156055 /nfs/dbraw/zinc/15/60/55/210156055.db2.gz IQZDLADMRDILPC-UHFFFAOYSA-N 0 0 333.325 3.367 10 5 EGBERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000343252488 295727749 /nfs/dbraw/zinc/72/77/49/295727749.db2.gz RIQHBRXPRMAOGJ-LLVKDONJSA-N 0 0 335.747 3.220 10 5 EGBERN Cc1cc(C[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 ZINC000178188122 232104308 /nfs/dbraw/zinc/10/43/08/232104308.db2.gz UKJRKJXZFODQIV-VIFPVBQESA-N 0 0 344.396 3.202 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066709321 215070771 /nfs/dbraw/zinc/07/07/71/215070771.db2.gz FVJPGMIPVNENJX-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000067650001 215174590 /nfs/dbraw/zinc/17/45/90/215174590.db2.gz UKFAGIAUKNBOAL-UHFFFAOYSA-N 0 0 346.305 3.251 10 5 EGBERN CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000104419579 219386186 /nfs/dbraw/zinc/38/61/86/219386186.db2.gz MOLBFHCLDZZUMO-UHFFFAOYSA-N 0 0 349.124 3.155 10 5 EGBERN Cc1csc(NC2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000372222477 168712934 /nfs/dbraw/zinc/71/29/34/168712934.db2.gz OADLVMUYOPDTLR-UHFFFAOYSA-N 0 0 333.417 3.144 10 5 EGBERN Cc1c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000187126911 236126254 /nfs/dbraw/zinc/12/62/54/236126254.db2.gz DXIXINCBPBELAY-UHFFFAOYSA-N 0 0 333.369 3.196 10 5 EGBERN COC(=O)[C@@H](NCc1csc([N+](=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000189632324 237090349 /nfs/dbraw/zinc/09/03/49/237090349.db2.gz ZBIUOODXEUYSDS-HNNXBMFYSA-N 0 0 334.397 3.277 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(c3ccccn3)CC2)c1 ZINC000072296200 216133637 /nfs/dbraw/zinc/13/36/37/216133637.db2.gz GSEFVNRBTPLFMS-UHFFFAOYSA-N 0 0 346.362 3.218 10 5 EGBERN Nc1c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000364376371 283650344 /nfs/dbraw/zinc/65/03/44/283650344.db2.gz SGIPDBIAYAUYGX-LBPRGKRZSA-N 0 0 345.786 3.460 10 5 EGBERN Nc1ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000376475444 283664228 /nfs/dbraw/zinc/66/42/28/283664228.db2.gz UJUMVSIOUWZELH-ZDUSSCGKSA-N 0 0 341.415 3.094 10 5 EGBERN O=c1ccc(-c2ccccc2)nn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000193448095 240169547 /nfs/dbraw/zinc/16/95/47/240169547.db2.gz UNTDHRCIZIOHDC-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC1(CCO)CCC1 ZINC000132669369 223352623 /nfs/dbraw/zinc/35/26/23/223352623.db2.gz IYOFOVBPVNIKTH-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183620459 241581680 /nfs/dbraw/zinc/58/16/80/241581680.db2.gz BBJFAOSSHQPLEQ-UHFFFAOYSA-N 0 0 338.726 3.446 10 5 EGBERN Cn1c(CNc2ccc([N+](=O)[O-])c3cnccc23)nnc1C1CCC1 ZINC000132842864 223367107 /nfs/dbraw/zinc/36/71/07/223367107.db2.gz FPHLXXBXBNLTEK-UHFFFAOYSA-N 0 0 338.371 3.151 10 5 EGBERN C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266902904 296158021 /nfs/dbraw/zinc/15/80/21/296158021.db2.gz UMJHEDIWIGPDMB-DYVFJYSZSA-N 0 0 327.384 3.075 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000045625142 213745581 /nfs/dbraw/zinc/74/55/81/213745581.db2.gz AUMRSNBQMITGHX-VIFPVBQESA-N 0 0 327.178 3.229 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000013112970 211522932 /nfs/dbraw/zinc/52/29/32/211522932.db2.gz OYUBODXSVGPELO-UHFFFAOYSA-N 0 0 325.324 3.350 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1ccco1 ZINC000377686376 169060789 /nfs/dbraw/zinc/06/07/89/169060789.db2.gz AQFPXNCXOIMHFH-ZDUSSCGKSA-N 0 0 336.731 3.055 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000378263002 169093226 /nfs/dbraw/zinc/09/32/26/169093226.db2.gz XULMSYMVISXCGH-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378389387 169112581 /nfs/dbraw/zinc/11/25/81/169112581.db2.gz RPUISAXDTSXTFG-VQIMIIECSA-N 0 0 340.379 3.031 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378403393 169115347 /nfs/dbraw/zinc/11/53/47/169115347.db2.gz YCMXLTVBYXONCP-STQMWFEESA-N 0 0 338.429 3.244 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CCC[C@H]21 ZINC000408376437 169172999 /nfs/dbraw/zinc/17/29/99/169172999.db2.gz SKOPDLGOKDXDSD-TVQRCGJNSA-N 0 0 339.189 3.372 10 5 EGBERN O=[N+]([O-])c1ccc(/C=C/Sc2nnnn2-c2cccc(F)c2)o1 ZINC000012849082 211468375 /nfs/dbraw/zinc/46/83/75/211468375.db2.gz GKMBXFVYYUCAJO-VOTSOKGWSA-N 0 0 333.304 3.066 10 5 EGBERN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000007645188 210825233 /nfs/dbraw/zinc/82/52/33/210825233.db2.gz ORLLXDZOCJTYLC-UHFFFAOYSA-N 0 0 342.351 3.028 10 5 EGBERN COCCC1(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000152518878 223977153 /nfs/dbraw/zinc/97/71/53/223977153.db2.gz AXLOXEYBOAHXFI-GQCTYLIASA-N 0 0 334.372 3.010 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 ZINC000359092529 291827103 /nfs/dbraw/zinc/82/71/03/291827103.db2.gz FWYRFXMMDMBUEK-DZGCQCFKSA-N 0 0 340.383 3.213 10 5 EGBERN CN(C)C(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000005506512 210477580 /nfs/dbraw/zinc/47/75/80/210477580.db2.gz VHRDADXUMOFSHE-HNNXBMFYSA-N 0 0 334.759 3.457 10 5 EGBERN COc1ccc(CNc2ccc3nc4ccc(C)cc4c(=O)n3n2)cc1 ZINC000005152291 210401799 /nfs/dbraw/zinc/40/17/99/210401799.db2.gz PGQMMRWNQOGVGS-UHFFFAOYSA-N 0 0 346.390 3.172 10 5 EGBERN COc1ccc(CNC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000005035960 210370212 /nfs/dbraw/zinc/37/02/12/210370212.db2.gz PCZWEPNITHKPMA-UHFFFAOYSA-N 0 0 338.410 3.073 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000154204482 224218028 /nfs/dbraw/zinc/21/80/28/224218028.db2.gz KDRFXIXSLSBRSQ-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN COc1cccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040586771 132403830 /nfs/dbraw/zinc/40/38/30/132403830.db2.gz PZVZQVJQBHTBKO-UHFFFAOYSA-N 0 0 329.360 3.127 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000246961778 141046057 /nfs/dbraw/zinc/04/60/57/141046057.db2.gz JTLJYHWIJDJPLN-WFASDCNBSA-N 0 0 329.356 3.352 10 5 EGBERN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263490214 141052423 /nfs/dbraw/zinc/05/24/23/141052423.db2.gz IHRODJKEPJKARS-KYOSRNDESA-N 0 0 338.791 3.466 10 5 EGBERN COc1cc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000268282527 141058616 /nfs/dbraw/zinc/05/86/16/141058616.db2.gz RXKDIKYVVDJSSE-XHDPSFHLSA-N 0 0 334.351 3.027 10 5 EGBERN CN(C)c1ncccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341256932 141145014 /nfs/dbraw/zinc/14/50/14/141145014.db2.gz IPNAYNWRJNYICE-UHFFFAOYSA-N 0 0 349.394 3.152 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000356272126 141333196 /nfs/dbraw/zinc/33/31/96/141333196.db2.gz GSZYDZDUKSLYCW-UHFFFAOYSA-N 0 0 339.273 3.215 10 5 EGBERN COCCOc1cccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000052411811 142578999 /nfs/dbraw/zinc/57/89/99/142578999.db2.gz DVHYDDONAXWIMG-UHFFFAOYSA-N 0 0 344.367 3.435 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000170993309 144000399 /nfs/dbraw/zinc/00/03/99/144000399.db2.gz SXEYRQRVGQDVSK-GJZGRUSLSA-N 0 0 347.758 3.028 10 5 EGBERN COC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000172420113 144020785 /nfs/dbraw/zinc/02/07/85/144020785.db2.gz BONXEMVAYCTNOF-HNNXBMFYSA-N 0 0 334.759 3.366 10 5 EGBERN CCC1(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000174920576 144053881 /nfs/dbraw/zinc/05/38/81/144053881.db2.gz PXPDLYMCPMCLNA-UHFFFAOYSA-N 0 0 338.429 3.286 10 5 EGBERN O=C(c1ccccc1)N1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000192460890 144174511 /nfs/dbraw/zinc/17/45/11/144174511.db2.gz HDVXDPPVFYFZNK-UHFFFAOYSA-N 0 0 346.412 3.016 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(C(F)(F)C3CCOCC3)n2)cc1 ZINC000345523857 144248041 /nfs/dbraw/zinc/24/80/41/144248041.db2.gz CFEKEWXXGRUCTO-UHFFFAOYSA-N 0 0 325.271 3.163 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1[C@@H](C)C1CC1 ZINC000351623236 144288548 /nfs/dbraw/zinc/28/85/48/144288548.db2.gz UIMLMKHCKFXLGY-JTQLQIEISA-N 0 0 347.350 3.276 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000351695827 144291329 /nfs/dbraw/zinc/29/13/29/144291329.db2.gz PVYGRIZUDRMNCI-INIZCTEOSA-N 0 0 348.790 3.102 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000363873115 144373029 /nfs/dbraw/zinc/37/30/29/144373029.db2.gz QIFYKIDQAZZAAK-XJKSGUPXSA-N 0 0 325.368 3.256 10 5 EGBERN COc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000364049855 144388074 /nfs/dbraw/zinc/38/80/74/144388074.db2.gz FWBGMTVYIXAQHP-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000373443817 144507295 /nfs/dbraw/zinc/50/72/95/144507295.db2.gz PRPRDYQILLULKX-AWEZNQCLSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374683596 144554317 /nfs/dbraw/zinc/55/43/17/144554317.db2.gz RUZWKWFDWBNWLW-CYBMUJFWSA-N 0 0 331.397 3.065 10 5 EGBERN CO[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000221016122 286074497 /nfs/dbraw/zinc/07/44/97/286074497.db2.gz DWUMQAUSZGCRAY-ZANVPECISA-N 0 0 329.194 3.219 10 5 EGBERN Cc1ccc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000116701606 292221835 /nfs/dbraw/zinc/22/18/35/292221835.db2.gz DGSYXZFILJLZTK-LBPRGKRZSA-N 0 0 336.369 3.080 10 5 EGBERN COc1ccc(C[C@H](C)Nc2nccc(C)c2[N+](=O)[O-])cc1OC ZINC000115518034 152014861 /nfs/dbraw/zinc/01/48/61/152014861.db2.gz DLDSQUVSHPLYBR-LBPRGKRZSA-N 0 0 331.372 3.359 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116290137 152054303 /nfs/dbraw/zinc/05/43/03/152054303.db2.gz JTLJYHWIJDJPLN-SWLSCSKDSA-N 0 0 329.356 3.352 10 5 EGBERN COc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000117578349 152104487 /nfs/dbraw/zinc/10/44/87/152104487.db2.gz ZMRCSJIMUGOYDK-HWPZZCPQSA-N 0 0 328.324 3.107 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1COc2ccccc21 ZINC000117635352 152108070 /nfs/dbraw/zinc/10/80/70/152108070.db2.gz FQIJQYKUOHVILM-CQSZACIVSA-N 0 0 332.743 3.041 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117724370 152112831 /nfs/dbraw/zinc/11/28/31/152112831.db2.gz JZSBEBHRLIZYTC-UHFFFAOYSA-N 0 0 329.381 3.289 10 5 EGBERN CCc1oc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1C ZINC000118966607 152164015 /nfs/dbraw/zinc/16/40/15/152164015.db2.gz GBCQXDNLAXVGHA-UHFFFAOYSA-N 0 0 346.339 3.472 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000119384588 152202391 /nfs/dbraw/zinc/20/23/91/152202391.db2.gz KYAIGUXFPMEVAK-GFCCVEGCSA-N 0 0 338.385 3.153 10 5 EGBERN Cc1sc(C(=O)NCCc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000120034883 152246233 /nfs/dbraw/zinc/24/62/33/152246233.db2.gz JQNWMLHDUYYMQP-UHFFFAOYSA-N 0 0 329.381 3.419 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000120442317 152275416 /nfs/dbraw/zinc/27/54/16/152275416.db2.gz XNYRHRIVKCDXBB-QMTHXVAHSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000121380367 152347206 /nfs/dbraw/zinc/34/72/06/152347206.db2.gz HAYZLGCTPCRIDT-MAUKXSAKSA-N 0 0 339.395 3.439 10 5 EGBERN COC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000152077809 152477602 /nfs/dbraw/zinc/47/76/02/152477602.db2.gz YAWUSUHBWPZDQY-VIFPVBQESA-N 0 0 332.278 3.003 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000172094054 152803293 /nfs/dbraw/zinc/80/32/93/152803293.db2.gz YCMTXVNPRPLRLO-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC000189255554 153059866 /nfs/dbraw/zinc/05/98/66/153059866.db2.gz NUENUDQDXXXWOV-UHFFFAOYSA-N 0 0 325.368 3.102 10 5 EGBERN Cc1csc2c1ncnc2N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000192883902 153267112 /nfs/dbraw/zinc/26/71/12/153267112.db2.gz GWYPXLSJMNKNDA-UHFFFAOYSA-N 0 0 342.380 3.176 10 5 EGBERN CN(Cc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1[N+](=O)[O-] ZINC000194987967 153368550 /nfs/dbraw/zinc/36/85/50/153368550.db2.gz SKBNGIHBDYOCCE-UHFFFAOYSA-N 0 0 343.408 3.140 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000195103560 153381203 /nfs/dbraw/zinc/38/12/03/153381203.db2.gz JHVDCLSUTFLOPX-KRWDZBQOSA-N 0 0 337.335 3.411 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2[C@@H]1C ZINC000340824693 292294549 /nfs/dbraw/zinc/29/45/49/292294549.db2.gz NUHIHKKMJNLMRI-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000262690157 153843478 /nfs/dbraw/zinc/84/34/78/153843478.db2.gz FXNYQUORMUMMRM-MRXNPFEDSA-N 0 0 328.368 3.161 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(F)c(F)c2)n1 ZINC000319370329 154161852 /nfs/dbraw/zinc/16/18/52/154161852.db2.gz YSYIDZCSYFMHBF-UHFFFAOYSA-N 0 0 326.280 3.206 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cccc3[nH]ccc32)c1 ZINC000337362644 154308850 /nfs/dbraw/zinc/30/88/50/154308850.db2.gz JFDQMBQOJMYLQR-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CC(C)C(C)(C)[S@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337652426 154472235 /nfs/dbraw/zinc/47/22/35/154472235.db2.gz CDTANUJJGLJCQJ-JOCHJYFZSA-N 0 0 326.418 3.107 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000342918100 155578102 /nfs/dbraw/zinc/57/81/02/155578102.db2.gz PHPGYVLBCRNMDH-NSHDSACASA-N 0 0 333.388 3.101 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000344971490 155872548 /nfs/dbraw/zinc/87/25/48/155872548.db2.gz CQXUMRWKGNBACN-UHFFFAOYSA-N 0 0 342.355 3.024 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000345476706 156122349 /nfs/dbraw/zinc/12/23/49/156122349.db2.gz CTNRWQSZGPMNCP-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN Cc1nc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cs1 ZINC000345483584 156125443 /nfs/dbraw/zinc/12/54/43/156125443.db2.gz JLFNTYWIDYPINT-UHFFFAOYSA-N 0 0 341.352 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(Cc3cnc4ccccc4c3)n2)nc1 ZINC000346882505 156177790 /nfs/dbraw/zinc/17/77/90/156177790.db2.gz YEMRPTDCYGFSIU-UHFFFAOYSA-N 0 0 347.334 3.103 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc(OC)cc1[N+](=O)[O-] ZINC000349045402 156331539 /nfs/dbraw/zinc/33/15/39/156331539.db2.gz ZOZAVXOUWZBNFA-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000349048115 156332561 /nfs/dbraw/zinc/33/25/61/156332561.db2.gz NWVFDTCDSVPKMV-GOSISDBHSA-N 0 0 342.395 3.315 10 5 EGBERN Cc1cc(NCc2ccc3c(=O)cc[nH]c3c2)c(F)cc1[N+](=O)[O-] ZINC000360089127 156912209 /nfs/dbraw/zinc/91/22/09/156912209.db2.gz KNKMIIHFRQBDHS-UHFFFAOYSA-N 0 0 327.315 3.496 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1c2ccccc2C[C@@H]1O ZINC000365546218 157166194 /nfs/dbraw/zinc/16/61/94/157166194.db2.gz BZTALFLCCRELDR-JSGCOSHPSA-N 0 0 339.273 3.079 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000368765286 157284815 /nfs/dbraw/zinc/28/48/15/157284815.db2.gz NKOCBRLLUAXHTA-LLVKDONJSA-N 0 0 342.342 3.152 10 5 EGBERN COc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1C ZINC000060848123 161546049 /nfs/dbraw/zinc/54/60/49/161546049.db2.gz FOYVTZQGSLXPRF-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc(F)cc(OC)c2)cc1[N+](=O)[O-] ZINC000094097170 162039443 /nfs/dbraw/zinc/03/94/43/162039443.db2.gz HGEXKSQXKQHZOF-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000105847420 162058193 /nfs/dbraw/zinc/05/81/93/162058193.db2.gz CWJVTSBPQTYTHD-OAHLLOKOSA-N 0 0 342.399 3.231 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109089700 162091702 /nfs/dbraw/zinc/09/17/02/162091702.db2.gz LPHYERVTIRVLCJ-ZIAGYGMSSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088296 162092185 /nfs/dbraw/zinc/09/21/85/162092185.db2.gz GQLNGHJZXWOUBW-QWHCGFSZSA-N 0 0 332.306 3.293 10 5 EGBERN COc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110450464 162127945 /nfs/dbraw/zinc/12/79/45/162127945.db2.gz NCSHSTLYVUYKEL-HUUCEWRRSA-N 0 0 326.352 3.137 10 5 EGBERN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000110526175 162130213 /nfs/dbraw/zinc/13/02/13/162130213.db2.gz UJYXHULLNNHGAD-AWEZNQCLSA-N 0 0 346.412 3.213 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000132265758 162427881 /nfs/dbraw/zinc/42/78/81/162427881.db2.gz WHHIYBXHVOINDR-CVEARBPZSA-N 0 0 349.431 3.354 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(CO)ccc1Cl ZINC000303377897 163065249 /nfs/dbraw/zinc/06/52/49/163065249.db2.gz PKQVCFDKYHRROY-UHFFFAOYSA-N 0 0 349.774 3.100 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1cccc(-n2cccn2)c1 ZINC000354328525 166004001 /nfs/dbraw/zinc/00/40/01/166004001.db2.gz CDZWOWWUXIBDDC-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN Cc1cc(Oc2cncc(C(N)=O)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338692572 163320435 /nfs/dbraw/zinc/32/04/35/163320435.db2.gz DHEBHNMBWUXEJZ-UHFFFAOYSA-N 0 0 341.245 3.208 10 5 EGBERN CCCc1nc(CNc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000340608853 163622151 /nfs/dbraw/zinc/62/21/51/163622151.db2.gz VATWKCOVINAECR-UHFFFAOYSA-N 0 0 341.165 3.305 10 5 EGBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1[C@@H](C)C1CC1 ZINC000342650368 163932552 /nfs/dbraw/zinc/93/25/52/163932552.db2.gz IWICWTXMZUTIRS-JTQLQIEISA-N 0 0 348.790 3.398 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000343055513 163958663 /nfs/dbraw/zinc/95/86/63/163958663.db2.gz UAWUTDWXTAWPMJ-JSGCOSHPSA-N 0 0 345.330 3.192 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1C ZINC000344114332 164106895 /nfs/dbraw/zinc/10/68/95/164106895.db2.gz RLNTYFIWDVHLAM-LBPRGKRZSA-N 0 0 330.388 3.043 10 5 EGBERN Cc1sc(C(=O)NCCN2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000344436020 164178658 /nfs/dbraw/zinc/17/86/58/164178658.db2.gz FSUAXVKIJQYNKU-LLVKDONJSA-N 0 0 345.424 3.146 10 5 EGBERN Cc1ccc(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000344441305 164178959 /nfs/dbraw/zinc/17/89/59/164178959.db2.gz WAEAYCSMJAAKBZ-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000344670739 164199602 /nfs/dbraw/zinc/19/96/02/164199602.db2.gz SGOISQBYVTYXGJ-UHFFFAOYSA-N 0 0 348.668 3.102 10 5 EGBERN CC(=O)NCc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000345697007 164245729 /nfs/dbraw/zinc/24/57/29/164245729.db2.gz APGODFLWIDRMGM-UHFFFAOYSA-N 0 0 344.352 3.009 10 5 EGBERN C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000345695542 164245768 /nfs/dbraw/zinc/24/57/68/164245768.db2.gz ZDHOEZRKXIAJIR-SJKOYZFVSA-N 0 0 343.408 3.368 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347112241 164446350 /nfs/dbraw/zinc/44/63/50/164446350.db2.gz QZEYLYXIFOMPSI-BFUOFWGJSA-N 0 0 339.395 3.447 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCC(F)(F)C2)s1 ZINC000354882223 166055254 /nfs/dbraw/zinc/05/52/54/166055254.db2.gz SUTHVNIHUZYSSD-ZETCQYMHSA-N 0 0 340.373 3.050 10 5 EGBERN CO[C@](C)(c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1)C1CC1 ZINC000350424243 165047881 /nfs/dbraw/zinc/04/78/81/165047881.db2.gz VDIGIBXXOCQFGV-INIZCTEOSA-N 0 0 328.328 3.398 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000351619783 165105681 /nfs/dbraw/zinc/10/56/81/165105681.db2.gz LQGNOUYKBBGBEH-UHFFFAOYSA-N 0 0 343.318 3.240 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1ccsc1 ZINC000352033226 165200829 /nfs/dbraw/zinc/20/08/29/165200829.db2.gz RJFXLAICEJBERF-HNNXBMFYSA-N 0 0 336.413 3.267 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2ccc(Cl)cc21 ZINC000352050137 165211526 /nfs/dbraw/zinc/21/15/26/165211526.db2.gz WVLPTDPSDKPWJK-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352091491 165230357 /nfs/dbraw/zinc/23/03/57/165230357.db2.gz FOHJXRZQIWJDNZ-QFBILLFUSA-N 0 0 341.411 3.138 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000355161501 166120472 /nfs/dbraw/zinc/12/04/72/166120472.db2.gz IRGPQICAJYCLCL-KZULUSFZSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1c(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000355182666 166125361 /nfs/dbraw/zinc/12/53/61/166125361.db2.gz DTEOQPNEXCBYJZ-JQWIXIFHSA-N 0 0 330.306 3.498 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000355291598 166155648 /nfs/dbraw/zinc/15/56/48/166155648.db2.gz MVXMHYGTSORPFR-QMMMGPOBSA-N 0 0 345.218 3.439 10 5 EGBERN COc1cccc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000355364573 166175458 /nfs/dbraw/zinc/17/54/58/166175458.db2.gz FPVQWKKHHVKVTR-UHFFFAOYSA-N 0 0 339.351 3.357 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1F ZINC000355387290 166181589 /nfs/dbraw/zinc/18/15/89/166181589.db2.gz SVLOYZXUJCBULF-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc1F ZINC000355639471 166268621 /nfs/dbraw/zinc/26/86/21/166268621.db2.gz RNRODUHRIZNZEK-UHFFFAOYSA-N 0 0 344.302 3.087 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c2ccccc2n(C)c1=O ZINC000356799333 166512359 /nfs/dbraw/zinc/51/23/59/166512359.db2.gz XEIZYWSPZQZRBN-UHFFFAOYSA-N 0 0 341.367 3.084 10 5 EGBERN C[C@H]1C[C@@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490056 166693711 /nfs/dbraw/zinc/69/37/11/166693711.db2.gz UTZHMSXECGSGBI-UWVGGRQHSA-N 0 0 339.298 3.400 10 5 EGBERN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccnc1 ZINC000358996471 167031538 /nfs/dbraw/zinc/03/15/38/167031538.db2.gz XIBQYGUANBLQLB-SECBINFHSA-N 0 0 337.282 3.082 10 5 EGBERN COc1ccc(COCCNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000359080498 167061900 /nfs/dbraw/zinc/06/19/00/167061900.db2.gz FZASFAMUTOWDOG-UHFFFAOYSA-N 0 0 331.372 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccnc(N3CCCC3)c2)n1 ZINC000359084987 167063024 /nfs/dbraw/zinc/06/30/24/167063024.db2.gz SGKQVULIWBYPPS-UHFFFAOYSA-N 0 0 327.388 3.214 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nccn2Cc2ccccn2)n1 ZINC000359091685 167064805 /nfs/dbraw/zinc/06/48/05/167064805.db2.gz FHPDUOHVRABGNQ-UHFFFAOYSA-N 0 0 341.396 3.398 10 5 EGBERN Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000359123171 167073942 /nfs/dbraw/zinc/07/39/42/167073942.db2.gz HQKNAPMLEIBXGF-NSHDSACASA-N 0 0 330.315 3.102 10 5 EGBERN Cc1cc(C(=O)NCc2cc(=O)[nH]c3ccccc23)cc([N+](=O)[O-])c1 ZINC000359307778 167121163 /nfs/dbraw/zinc/12/11/63/167121163.db2.gz OQWMFUPMTLTAIG-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1nccn1CC(F)(F)F ZINC000359480775 167167970 /nfs/dbraw/zinc/16/79/70/167167970.db2.gz MICGVEQUBDVURX-UHFFFAOYSA-N 0 0 344.293 3.112 10 5 EGBERN CCOc1cc(N[C@H](CC(=O)NC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000360283456 167289134 /nfs/dbraw/zinc/28/91/34/167289134.db2.gz IVXURAMBCPIYLN-OAHLLOKOSA-N 0 0 343.383 3.283 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000360531949 167350845 /nfs/dbraw/zinc/35/08/45/167350845.db2.gz ZGMMVKYOXSEOEX-NSHDSACASA-N 0 0 349.412 3.306 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000360560337 167357940 /nfs/dbraw/zinc/35/79/40/167357940.db2.gz FNYQILHZNUZJOT-UHFFFAOYSA-N 0 0 335.363 3.134 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000360560868 167358604 /nfs/dbraw/zinc/35/86/04/167358604.db2.gz HBTXUVMTHWXSKG-UHFFFAOYSA-N 0 0 339.326 3.345 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000360971248 167468356 /nfs/dbraw/zinc/46/83/56/167468356.db2.gz QZMMFISHLABACG-ZWNOBZJWSA-N 0 0 330.306 3.327 10 5 EGBERN CC[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366649845 287211872 /nfs/dbraw/zinc/21/18/72/287211872.db2.gz DYBJWXUGPQGNPK-IAQYHMDHSA-N 0 0 326.780 3.023 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000366275230 168101174 /nfs/dbraw/zinc/10/11/74/168101174.db2.gz WBMSDUWXCSLPIT-HOCLYGCPSA-N 0 0 340.807 3.018 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1COc2ccccc2C1 ZINC000367348329 168211796 /nfs/dbraw/zinc/21/17/96/168211796.db2.gz HMDFOMGUXPNNCL-LLVKDONJSA-N 0 0 332.743 3.438 10 5 EGBERN Cc1sc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367548695 168240221 /nfs/dbraw/zinc/24/02/21/168240221.db2.gz FCIRQFNPFFRWFV-CZUORRHYSA-N 0 0 346.408 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000158830082 225092753 /nfs/dbraw/zinc/09/27/53/225092753.db2.gz GQEODDDJQKNWBZ-VXGBXAGGSA-N 0 0 333.262 3.170 10 5 EGBERN Cn1c(CO)cnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000159853267 225289781 /nfs/dbraw/zinc/28/97/81/225289781.db2.gz NYVGYABQZZMAKD-UHFFFAOYSA-N 0 0 347.318 3.132 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000171364929 227042249 /nfs/dbraw/zinc/04/22/49/227042249.db2.gz HLCYLGCDYDDVIF-AWEZNQCLSA-N 0 0 349.394 3.476 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2ccccc2o1 ZINC000173918452 265012204 /nfs/dbraw/zinc/01/22/04/265012204.db2.gz MSMBCPDLZLRCRQ-UHFFFAOYSA-N 0 0 325.324 3.317 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000174186749 265029316 /nfs/dbraw/zinc/02/93/16/265029316.db2.gz AJGNLBSNGZCLHF-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CC[C@@H](NS(=O)(=O)Cc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000175111121 265093580 /nfs/dbraw/zinc/09/35/80/265093580.db2.gz LKEAVWKXQRWFDX-QGZVFWFLSA-N 0 0 348.424 3.474 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000175112134 265093762 /nfs/dbraw/zinc/09/37/62/265093762.db2.gz HNICZFAANGXARF-GFCCVEGCSA-N 0 0 326.399 3.086 10 5 EGBERN CCCn1nccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175192097 265099253 /nfs/dbraw/zinc/09/92/53/265099253.db2.gz PYTHHHDPIZMTIZ-GFCCVEGCSA-N 0 0 331.376 3.392 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1cccc(C)c1 ZINC000178031304 265292020 /nfs/dbraw/zinc/29/20/20/265292020.db2.gz ZWPBUCRSLHVNQC-HNNXBMFYSA-N 0 0 343.383 3.194 10 5 EGBERN CCN(Cc1cccc(Cl)c1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191503338 265909152 /nfs/dbraw/zinc/90/91/52/265909152.db2.gz BBEZFYRKIOIBSG-UHFFFAOYSA-N 0 0 336.779 3.127 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])CC2 ZINC000193769806 266060167 /nfs/dbraw/zinc/06/01/67/266060167.db2.gz AHXITSULQWEGJV-UHFFFAOYSA-N 0 0 340.379 3.153 10 5 EGBERN COc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])cnc3C)nc21 ZINC000195063185 266159093 /nfs/dbraw/zinc/15/90/93/266159093.db2.gz FGDFHKVRWRFROT-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272616072 266882704 /nfs/dbraw/zinc/88/27/04/266882704.db2.gz XNJRFQLIOIDPOK-UHFFFAOYSA-N 0 0 338.314 3.178 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000273321992 267020558 /nfs/dbraw/zinc/02/05/58/267020558.db2.gz PXTPJBVDEDCOOC-OUKQBFOZSA-N 0 0 340.383 3.127 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCCO)CC1 ZINC000273498268 267048410 /nfs/dbraw/zinc/04/84/10/267048410.db2.gz PYCYKJCQQFYJTM-BUHFOSPRSA-N 0 0 332.400 3.009 10 5 EGBERN Cc1nn(CCc2nc(-c3cc(C)cc(C)c3)no2)c(C)c1[N+](=O)[O-] ZINC000274010474 267164670 /nfs/dbraw/zinc/16/46/70/267164670.db2.gz ZEBGRBYHOJLZHK-UHFFFAOYSA-N 0 0 341.371 3.318 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)cc1[N+](=O)[O-] ZINC000277361653 267770861 /nfs/dbraw/zinc/77/08/61/267770861.db2.gz BNTZEGONXHKNNG-ZIEJDFEHSA-N 0 0 343.383 3.027 10 5 EGBERN CCC[C@]1(CO)CCCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000277929713 267904722 /nfs/dbraw/zinc/90/47/22/267904722.db2.gz AWBDAACAEGOXFK-SJLPKXTDSA-N 0 0 349.431 3.383 10 5 EGBERN CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000278280976 267977426 /nfs/dbraw/zinc/97/74/26/267977426.db2.gz ZTHZVEAMRKHPTL-UHFFFAOYSA-N 0 0 344.396 3.127 10 5 EGBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000343252489 274990656 /nfs/dbraw/zinc/99/06/56/274990656.db2.gz RIQHBRXPRMAOGJ-NSHDSACASA-N 0 0 335.747 3.220 10 5 EGBERN Cc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000007975853 275118446 /nfs/dbraw/zinc/11/84/46/275118446.db2.gz TVJUKNRQRSIENF-UHFFFAOYSA-N 0 0 337.763 3.220 10 5 EGBERN O=c1ccc(-c2ccc(F)cc2)nn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103463095 275162281 /nfs/dbraw/zinc/16/22/81/275162281.db2.gz PNXCBYNHVHGTBM-UHFFFAOYSA-N 0 0 343.289 3.145 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184976031 275214318 /nfs/dbraw/zinc/21/43/18/275214318.db2.gz GGXWELKZGRPIRR-JSGCOSHPSA-N 0 0 343.383 3.217 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194879193 275228992 /nfs/dbraw/zinc/22/89/92/275228992.db2.gz HLCCLWVKDBAOHU-MFKMUULPSA-N 0 0 329.356 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3c3cc[nH]n3)co2)cc1 ZINC000278734998 275270073 /nfs/dbraw/zinc/27/00/73/275270073.db2.gz WCVCEHDTGXULPC-MRXNPFEDSA-N 0 0 339.355 3.310 10 5 EGBERN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H](C(C)C)c3ccccc32)c1[N+](=O)[O-] ZINC000279230949 275314637 /nfs/dbraw/zinc/31/46/37/275314637.db2.gz PACBOXFMLCDSQI-WFASDCNBSA-N 0 0 342.399 3.283 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CC(C)(C)C(F)(F)F ZINC000280009352 275390411 /nfs/dbraw/zinc/39/04/11/275390411.db2.gz IQFMHOFZHKKBQO-UHFFFAOYSA-N 0 0 334.294 3.198 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000280325913 275437922 /nfs/dbraw/zinc/43/79/22/275437922.db2.gz ZBJBYYYNCSALDQ-UHFFFAOYSA-N 0 0 328.328 3.450 10 5 EGBERN Cc1c(NC(=O)NCC2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280638813 275475553 /nfs/dbraw/zinc/47/55/53/275475553.db2.gz AYTPFTWOQHCMTH-UHFFFAOYSA-N 0 0 328.166 3.197 10 5 EGBERN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 ZINC000280712058 275486059 /nfs/dbraw/zinc/48/60/59/275486059.db2.gz MMIDDAARQGKUJH-GFCCVEGCSA-N 0 0 343.177 3.029 10 5 EGBERN CC[C@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280783576 275495312 /nfs/dbraw/zinc/49/53/12/275495312.db2.gz SKLUKFYSAFLNOS-NSHDSACASA-N 0 0 331.166 3.029 10 5 EGBERN CC(=O)c1ccc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000049980458 275503964 /nfs/dbraw/zinc/50/39/64/275503964.db2.gz HJYRFSMOUSINQR-UHFFFAOYSA-N 0 0 343.358 3.263 10 5 EGBERN Cc1sc(C(=O)N2CCC(C)=C(Br)C2)cc1[N+](=O)[O-] ZINC000281708056 275569937 /nfs/dbraw/zinc/56/99/37/275569937.db2.gz HQJKZMXTTWCFRT-UHFFFAOYSA-N 0 0 345.218 3.480 10 5 EGBERN CC(C)(C(=O)N[C@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000283710087 275746348 /nfs/dbraw/zinc/74/63/48/275746348.db2.gz YKUBZOIEHISUJJ-LBPRGKRZSA-N 0 0 326.393 3.022 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1 ZINC000285667662 275901234 /nfs/dbraw/zinc/90/12/34/275901234.db2.gz YDOPBRMTAHFUHD-WDYCEAGBSA-N 0 0 346.427 3.449 10 5 EGBERN O=c1[nH]c(NCCC[C@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000286522086 276011505 /nfs/dbraw/zinc/01/15/05/276011505.db2.gz BYWQKRTUHDFNMO-GFCCVEGCSA-N 0 0 332.360 3.005 10 5 EGBERN O=C(N[C@@H](C1CC1)C(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288071239 276180534 /nfs/dbraw/zinc/18/05/34/276180534.db2.gz CUXKXQXBCXOADQ-LBPRGKRZSA-N 0 0 327.262 3.147 10 5 EGBERN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000288228491 276192776 /nfs/dbraw/zinc/19/27/76/276192776.db2.gz FBTFKDNEWQJUDH-RHSMWYFYSA-N 0 0 342.399 3.181 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000288743294 276247713 /nfs/dbraw/zinc/24/77/13/276247713.db2.gz ICERRQYJBDSNKY-GUYCJALGSA-N 0 0 343.383 3.455 10 5 EGBERN COc1cc(Cc2noc([C@H]3C[C@@H]3C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000288964129 276272391 /nfs/dbraw/zinc/27/23/91/276272391.db2.gz AUADHOHGIBCRDO-OLZOCXBDSA-N 0 0 347.371 3.345 10 5 EGBERN Cc1c(CN2CCC3(C2)Oc2ccccc2O3)cccc1[N+](=O)[O-] ZINC000289069239 276286632 /nfs/dbraw/zinc/28/66/32/276286632.db2.gz RYHFWZGBGSBFAK-UHFFFAOYSA-N 0 0 326.352 3.277 10 5 EGBERN CCOC1CC(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000289089907 276289261 /nfs/dbraw/zinc/28/92/61/276289261.db2.gz BLFNSCZTAQBNKY-UHFFFAOYSA-N 0 0 343.177 3.111 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1C ZINC000289580085 276361053 /nfs/dbraw/zinc/36/10/53/276361053.db2.gz HGXOWNIRWZUSMP-CABZTGNLSA-N 0 0 327.768 3.137 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000289733893 276385640 /nfs/dbraw/zinc/38/56/40/276385640.db2.gz JBDCWZNZCCXLGV-UHFFFAOYSA-N 0 0 343.387 3.292 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@]3(CO)C[C@H]3c3ccccc3)nc2c1 ZINC000290543358 276509435 /nfs/dbraw/zinc/50/94/35/276509435.db2.gz ARZKDGQJGXZYNN-KSSFIOAISA-N 0 0 338.367 3.049 10 5 EGBERN C[C@@H](NC(=O)NCCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000290584295 276515290 /nfs/dbraw/zinc/51/52/90/276515290.db2.gz ARSDLTWTVPFTHT-LLVKDONJSA-N 0 0 334.401 3.044 10 5 EGBERN CCC[C@]1(CO)CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000291097022 276588605 /nfs/dbraw/zinc/58/86/05/276588605.db2.gz SWOZNGWZEIPIBR-AEFFLSMTSA-N 0 0 349.431 3.240 10 5 EGBERN C[C@]12CCN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]1C2(F)F ZINC000292029400 276723141 /nfs/dbraw/zinc/72/31/41/276723141.db2.gz UEOOWYBSXLJUNO-KOLCDFICSA-N 0 0 348.147 3.234 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOC[C@H](C2CCC2)C1 ZINC000292348466 276775768 /nfs/dbraw/zinc/77/57/68/276775768.db2.gz QPPWDRAWVWUCNT-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000292359008 276778477 /nfs/dbraw/zinc/77/84/77/276778477.db2.gz CQTDAQSWKMYLBF-BLLLJJGKSA-N 0 0 338.379 3.022 10 5 EGBERN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000120442199 278250364 /nfs/dbraw/zinc/25/03/64/278250364.db2.gz XNYRHRIVKCDXBB-IINYFYTJSA-N 0 0 330.315 3.028 10 5 EGBERN CC1CCN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000009336186 278536016 /nfs/dbraw/zinc/53/60/16/278536016.db2.gz NZDIJUKKVCPWRC-UHFFFAOYSA-N 0 0 331.416 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCOC3(CCSCC3)C2)n1 ZINC000359095775 278665862 /nfs/dbraw/zinc/66/58/62/278665862.db2.gz NRNYRFVZFBSOHJ-ZDUSSCGKSA-N 0 0 337.445 3.463 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000264504578 279012968 /nfs/dbraw/zinc/01/29/68/279012968.db2.gz OSSAPNPQPKVZPM-GFCCVEGCSA-N 0 0 331.372 3.025 10 5 EGBERN Cc1cncn1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000373745122 279028712 /nfs/dbraw/zinc/02/87/12/279028712.db2.gz HRJQRIBECJZXJR-UHFFFAOYSA-N 0 0 348.790 3.230 10 5 EGBERN CCN(CC)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000101757109 279170105 /nfs/dbraw/zinc/17/01/05/279170105.db2.gz PABFBAFIRFRWJB-ZIAGYGMSSA-N 0 0 345.399 3.121 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N([C@@H](C)c2ccccc2)C2CC2)n1 ZINC000342690767 288710787 /nfs/dbraw/zinc/71/07/87/288710787.db2.gz KXVNICKXMCOJHF-LBPRGKRZSA-N 0 0 328.372 3.177 10 5 EGBERN Nc1ccc(N2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000376437937 295353648 /nfs/dbraw/zinc/35/36/48/295353648.db2.gz XCIFMDQBOGWPAU-GOSISDBHSA-N 0 0 325.368 3.203 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000360442538 301428117 /nfs/dbraw/zinc/42/81/17/301428117.db2.gz KBPXRGWSPQCIIW-MFKMUULPSA-N 0 0 326.418 3.021 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160592723 304807219 /nfs/dbraw/zinc/80/72/19/304807219.db2.gz VPNSOKAAPBLKDV-INIZCTEOSA-N 0 0 341.415 3.250 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000054165720 307337200 /nfs/dbraw/zinc/33/72/00/307337200.db2.gz CTXZXVADWMADBE-NSHDSACASA-N 0 0 334.397 3.470 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000057818120 307347476 /nfs/dbraw/zinc/34/74/76/307347476.db2.gz CPFUIPGXFLSWHB-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN CCOC(=O)[C@@H](CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000060320187 307350822 /nfs/dbraw/zinc/35/08/22/307350822.db2.gz BVGLBOKEZOAYTM-OAHLLOKOSA-N 0 0 328.368 3.429 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000075277624 307398539 /nfs/dbraw/zinc/39/85/39/307398539.db2.gz UTVVALLMYBUHEJ-RYUDHWBXSA-N 0 0 334.372 3.032 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)c1ccccc1 ZINC000080802006 307435330 /nfs/dbraw/zinc/43/53/30/307435330.db2.gz AJQQKJWKKLAXCG-WDEREUQCSA-N 0 0 340.426 3.127 10 5 EGBERN CC(C)C1(c2ccccc2)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000413988623 309055542 /nfs/dbraw/zinc/05/55/42/309055542.db2.gz LUIMDMBXSWQMLT-UHFFFAOYSA-N 0 0 339.395 3.227 10 5 EGBERN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000152890370 307761473 /nfs/dbraw/zinc/76/14/73/307761473.db2.gz KMOIAHLFEZYWIG-CQSZACIVSA-N 0 0 334.416 3.096 10 5 EGBERN O=C(Nc1ccc(F)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000157874449 307851557 /nfs/dbraw/zinc/85/15/57/307851557.db2.gz JGBDGHWWMBFGSN-UHFFFAOYSA-N 0 0 333.294 3.463 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC/C=C\c1ccccc1 ZINC000255121164 308040945 /nfs/dbraw/zinc/04/09/45/308040945.db2.gz AFEFYJSTLOLDEM-YVMONPNESA-N 0 0 327.340 3.438 10 5 EGBERN Cc1nc(CN(C)c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000292930619 308081069 /nfs/dbraw/zinc/08/10/69/308081069.db2.gz ALUQJNXDYVTULU-UHFFFAOYSA-N 0 0 330.266 3.250 10 5 EGBERN C[C@@]12CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(F)F ZINC000292987124 308087113 /nfs/dbraw/zinc/08/71/13/308087113.db2.gz XWKDBSKBFRWFNS-GOEBONIOSA-N 0 0 349.337 3.053 10 5 EGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)[C@H]1C ZINC000294249597 308203720 /nfs/dbraw/zinc/20/37/20/308203720.db2.gz SMOYYYKGFFKSTE-KBPBESRZSA-N 0 0 331.416 3.312 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000414534811 309086935 /nfs/dbraw/zinc/08/69/35/309086935.db2.gz GUWKGHLONAWCCA-KRWDZBQOSA-N 0 0 325.368 3.466 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(CO)(c2ccccc2)C1 ZINC000414543617 309087812 /nfs/dbraw/zinc/08/78/12/309087812.db2.gz BQXAMEXLUPKZRI-MHWRWJLKSA-N 0 0 338.407 3.244 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295269367 308309573 /nfs/dbraw/zinc/30/95/73/308309573.db2.gz ARUBIIUXTSUUFS-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN CC[C@@H](COCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000295333401 308315629 /nfs/dbraw/zinc/31/56/29/308315629.db2.gz FETBHZOBKSMUIJ-QMMMGPOBSA-N 0 0 340.323 3.052 10 5 EGBERN C[C@]1(F)CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295417179 308324577 /nfs/dbraw/zinc/32/45/77/308324577.db2.gz NDRWJCSVJPYNTD-AWEZNQCLSA-N 0 0 329.759 3.011 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000295428504 308325848 /nfs/dbraw/zinc/32/58/48/308325848.db2.gz DLSHYNBUICJTKC-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295666756 308348806 /nfs/dbraw/zinc/34/88/06/308348806.db2.gz WPIKKFSVIDJPBI-AWEZNQCLSA-N 0 0 332.278 3.160 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@H]1C ZINC000296049816 308388546 /nfs/dbraw/zinc/38/85/46/308388546.db2.gz TYPPLQOBIHUEQV-OTYXRUKQSA-N 0 0 326.780 3.054 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](O)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297963461 308575482 /nfs/dbraw/zinc/57/54/82/308575482.db2.gz NEYAMGOFAOPVCC-CVEARBPZSA-N 0 0 349.431 3.238 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1N1CCC(c2nnc3ccccn32)CC1 ZINC000301067995 308686965 /nfs/dbraw/zinc/68/69/65/308686965.db2.gz DRWQDVNJBWFYQK-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN Cc1cc(NCc2ccc(N3CCCCC3=O)cc2)ncc1[N+](=O)[O-] ZINC000301413867 308699337 /nfs/dbraw/zinc/69/93/37/308699337.db2.gz ASBGGOQOHMNQHK-UHFFFAOYSA-N 0 0 340.383 3.427 10 5 EGBERN CO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cs1 ZINC000301582209 308706038 /nfs/dbraw/zinc/70/60/38/308706038.db2.gz VCOURVQLHAERPG-QMMMGPOBSA-N 0 0 342.808 3.444 10 5 EGBERN COC(=O)c1cc(NCCc2sc(C)nc2C)cc(C)c1[N+](=O)[O-] ZINC000301708523 308711919 /nfs/dbraw/zinc/71/19/19/308711919.db2.gz WNEDFOHHMBWPPW-UHFFFAOYSA-N 0 0 349.412 3.418 10 5 EGBERN O=C(NCCCNc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000301803529 308715915 /nfs/dbraw/zinc/71/59/15/308715915.db2.gz UVCWQTPFJPYJOQ-UHFFFAOYSA-N 0 0 335.310 3.105 10 5 EGBERN C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000301888218 308720123 /nfs/dbraw/zinc/72/01/23/308720123.db2.gz MXXQKLQKACMFOM-JTQLQIEISA-N 0 0 340.426 3.275 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N(Cc3ccco3)Cc3ccco3)nn21 ZINC000301921278 308721803 /nfs/dbraw/zinc/72/18/03/308721803.db2.gz KWMXXBLFGVJEAJ-UHFFFAOYSA-N 0 0 339.311 3.030 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCSc4c(F)cccc43)nn21 ZINC000301950989 308722823 /nfs/dbraw/zinc/72/28/23/308722823.db2.gz ZTBFXGQACOAWEN-LLVKDONJSA-N 0 0 345.359 3.426 10 5 EGBERN COc1ccc([C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C(C)C)cc1 ZINC000301951017 308722938 /nfs/dbraw/zinc/72/29/38/308722938.db2.gz ZUDUZSRDHIKSIB-KRWDZBQOSA-N 0 0 341.371 3.455 10 5 EGBERN C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1O ZINC000301960028 308723123 /nfs/dbraw/zinc/72/31/23/308723123.db2.gz PXKVJOUHVLHRKY-SCLBCKFNSA-N 0 0 340.379 3.033 10 5 EGBERN COc1ccc2c(c1)OC[C@@H](Nc1cc(OC)cc(F)c1[N+](=O)[O-])C2 ZINC000301968240 308723360 /nfs/dbraw/zinc/72/33/60/308723360.db2.gz PILRMHLTWJPMFK-NSHDSACASA-N 0 0 348.330 3.167 10 5 EGBERN CCCCO[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C ZINC000302005082 308724915 /nfs/dbraw/zinc/72/49/15/308724915.db2.gz SHXHSKXIWIELHH-VXGBXAGGSA-N 0 0 333.392 3.033 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302046278 308726802 /nfs/dbraw/zinc/72/68/02/308726802.db2.gz KVLSZEWRNNASLE-HZMBPMFUSA-N 0 0 344.458 3.076 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000302058260 308727414 /nfs/dbraw/zinc/72/74/14/308727414.db2.gz AWBFPCFLUSXINW-SNVBAGLBSA-N 0 0 340.339 3.431 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@H](Cc4ccccc4)C3)nn21 ZINC000302465551 308737639 /nfs/dbraw/zinc/73/76/39/308737639.db2.gz BJZVFMPBKUGXLR-HUUCEWRRSA-N 0 0 337.383 3.461 10 5 EGBERN COc1ccccc1CCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302775690 308744983 /nfs/dbraw/zinc/74/49/83/308744983.db2.gz AFZAZZHUULWXCD-UHFFFAOYSA-N 0 0 327.384 3.250 10 5 EGBERN CN(Cc1nc(-c2cccnc2)no1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302784884 308745489 /nfs/dbraw/zinc/74/54/89/308745489.db2.gz UYCMRKCPJNJBEH-UHFFFAOYSA-N 0 0 345.746 3.330 10 5 EGBERN O=C(NC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000302827684 308747203 /nfs/dbraw/zinc/74/72/03/308747203.db2.gz BMIGMADOQRVUEM-UHFFFAOYSA-N 0 0 343.358 3.133 10 5 EGBERN Cc1cc(NCCc2cn(C)cn2)c(Br)cc1[N+](=O)[O-] ZINC000313485114 308765246 /nfs/dbraw/zinc/76/52/46/308765246.db2.gz TUHODMWQPNNWDX-UHFFFAOYSA-N 0 0 339.193 3.054 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1cccnc1C ZINC000410811509 308921683 /nfs/dbraw/zinc/92/16/83/308921683.db2.gz LOZAWWYRPOHUIV-UHFFFAOYSA-N 0 0 333.319 3.113 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(C)ccc(Cl)c32)n1 ZINC000411081466 308925932 /nfs/dbraw/zinc/92/59/32/308925932.db2.gz DGQWLAXXCUCGND-UHFFFAOYSA-N 0 0 348.790 3.366 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000411894491 308956927 /nfs/dbraw/zinc/95/69/27/308956927.db2.gz QQQDABSLSNBVBI-UHFFFAOYSA-N 0 0 347.415 3.133 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412330912 308981228 /nfs/dbraw/zinc/98/12/28/308981228.db2.gz UXTSWJCEOFBADG-PKOBYXMFSA-N 0 0 342.370 3.481 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)OCC1CC1 ZINC000412622180 308994363 /nfs/dbraw/zinc/99/43/63/308994363.db2.gz QRYCZFQZSZNHDY-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412899240 309007584 /nfs/dbraw/zinc/00/75/84/309007584.db2.gz PRCSKEKRJATWMM-KGLIPLIRSA-N 0 0 335.404 3.010 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000416023636 309155010 /nfs/dbraw/zinc/15/50/10/309155010.db2.gz ZUBKLDFYEWBMOU-GJZGRUSLSA-N 0 0 342.399 3.127 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000455034142 310341386 /nfs/dbraw/zinc/34/13/86/310341386.db2.gz FQOGMLOHSUHSQB-GFCCVEGCSA-N 0 0 346.774 3.087 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416359721 309169955 /nfs/dbraw/zinc/16/99/55/309169955.db2.gz LUIZEZXOTBDJMS-CYBMUJFWSA-N 0 0 347.396 3.043 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418139650 309237292 /nfs/dbraw/zinc/23/72/92/309237292.db2.gz IBVVMGJANDINOT-INIZCTEOSA-N 0 0 345.374 3.481 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000419017422 309259659 /nfs/dbraw/zinc/25/96/59/309259659.db2.gz ATUPEBYYVYBWCS-GFCCVEGCSA-N 0 0 348.790 3.394 10 5 EGBERN CC[C@H]1C[C@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000420616295 309290207 /nfs/dbraw/zinc/29/02/07/309290207.db2.gz GUUDFXDLRNMRIS-KGLIPLIRSA-N 0 0 335.404 3.103 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000420820931 309296570 /nfs/dbraw/zinc/29/65/70/309296570.db2.gz NABJSCCTQMUBIK-GXTWGEPZSA-N 0 0 349.456 3.488 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000421036098 309309662 /nfs/dbraw/zinc/30/96/62/309309662.db2.gz FAMUYIPNMDONNF-MWLCHTKSSA-N 0 0 327.768 3.327 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccnn1C ZINC000421505388 309327482 /nfs/dbraw/zinc/32/74/82/309327482.db2.gz ISCHSOHWMGOXBK-QMMMGPOBSA-N 0 0 342.277 3.089 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000421675272 309334123 /nfs/dbraw/zinc/33/41/23/309334123.db2.gz JBTRQXXKHPZJBX-KGLIPLIRSA-N 0 0 336.388 3.069 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424985539 309460994 /nfs/dbraw/zinc/46/09/94/309460994.db2.gz MBDJQADDRNONJC-PBFPGSCMSA-N 0 0 343.427 3.359 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000425027517 309462665 /nfs/dbraw/zinc/46/26/65/309462665.db2.gz DVCOZWMMRHHSFC-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](F)C1 ZINC000425472600 309481994 /nfs/dbraw/zinc/48/19/94/309481994.db2.gz JQBFPKMJFFOHEV-RYUDHWBXSA-N 0 0 332.335 3.247 10 5 EGBERN CCCCN(Cc1ccccc1F)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427190724 309524404 /nfs/dbraw/zinc/52/44/04/309524404.db2.gz VTEUTKAKGHHSQC-UHFFFAOYSA-N 0 0 348.378 3.393 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](OCC2CC2)C1 ZINC000428117489 309542614 /nfs/dbraw/zinc/54/26/14/309542614.db2.gz WHDXMBKOAIXZAJ-CQSZACIVSA-N 0 0 343.383 3.107 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000431267940 309628667 /nfs/dbraw/zinc/62/86/67/309628667.db2.gz AUBBCSGCCZVPGE-QZTJIDSGSA-N 0 0 337.379 3.219 10 5 EGBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC000433436919 309688809 /nfs/dbraw/zinc/68/88/09/309688809.db2.gz XYYKQQABRSXHKO-UHFFFAOYSA-N 0 0 348.374 3.198 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1C ZINC000436403212 309754722 /nfs/dbraw/zinc/75/47/22/309754722.db2.gz HGHJLDTZOGMNED-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000440727507 309855425 /nfs/dbraw/zinc/85/54/25/309855425.db2.gz BOEIJZMLOIMZIQ-GFCCVEGCSA-N 0 0 341.367 3.353 10 5 EGBERN CN(CCCO)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000442986912 309893152 /nfs/dbraw/zinc/89/31/52/309893152.db2.gz BRGUUOSZTASNAP-UHFFFAOYSA-N 0 0 346.408 3.200 10 5 EGBERN CCCCC[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443772958 309907894 /nfs/dbraw/zinc/90/78/94/309907894.db2.gz BIJHOYKFCLMLAM-OAHLLOKOSA-N 0 0 340.445 3.469 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000446314002 309960077 /nfs/dbraw/zinc/96/00/77/309960077.db2.gz USEQCLPECDQTQW-UHFFFAOYSA-N 0 0 341.367 3.181 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446899731 309970461 /nfs/dbraw/zinc/97/04/61/309970461.db2.gz UFOFOAXZBLMMKR-IJLUTSLNSA-N 0 0 345.403 3.047 10 5 EGBERN C[C@@H]1CSCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448314547 310002011 /nfs/dbraw/zinc/00/20/11/310002011.db2.gz PEBVNMVJKBBIGT-MRVPVSSYSA-N 0 0 334.319 3.191 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1csc([N+](=O)[O-])c1 ZINC000448492289 310004723 /nfs/dbraw/zinc/00/47/23/310004723.db2.gz LRJJNZVEAORLEV-UHFFFAOYSA-N 0 0 333.300 3.125 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1cccc([N+](=O)[O-])c1 ZINC000448493715 310004870 /nfs/dbraw/zinc/00/48/70/310004870.db2.gz YXXBEPJQWDDRAQ-UHFFFAOYSA-N 0 0 327.271 3.063 10 5 EGBERN O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000449425318 310061141 /nfs/dbraw/zinc/06/11/41/310061141.db2.gz QAHHLGFNLARTDQ-FUHWJXTLSA-N 0 0 348.349 3.034 10 5 EGBERN CCc1nc(CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])cs1 ZINC000450324326 310115359 /nfs/dbraw/zinc/11/53/59/310115359.db2.gz OCHLNLXIRQKXCE-UHFFFAOYSA-N 0 0 344.396 3.205 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000450333092 310116069 /nfs/dbraw/zinc/11/60/69/310116069.db2.gz WNGSADZYJJOPSH-GTNSWQLSSA-N 0 0 346.408 3.344 10 5 EGBERN CC(C)OC(=O)C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000450363301 310118007 /nfs/dbraw/zinc/11/80/07/310118007.db2.gz UTEWIGGEVPXKKM-HNNXBMFYSA-N 0 0 329.356 3.485 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](NCc2ccccc2)C(F)(F)F)cn1 ZINC000450544377 310129241 /nfs/dbraw/zinc/12/92/41/310129241.db2.gz OCJIPNAOHJSMJM-ZDUSSCGKSA-N 0 0 340.305 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(CF)CCOCC2)nc1-c1ccccc1 ZINC000450733738 310139933 /nfs/dbraw/zinc/13/99/33/310139933.db2.gz RTDWJZIHSLHCIE-UHFFFAOYSA-N 0 0 345.374 3.257 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000450855938 310146060 /nfs/dbraw/zinc/14/60/60/310146060.db2.gz HSRKMPBXFCDBAP-PIGZYNQJSA-N 0 0 347.346 3.470 10 5 EGBERN CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)o1 ZINC000450869904 310146944 /nfs/dbraw/zinc/14/69/44/310146944.db2.gz YGVAHTZLVKCASZ-UHFFFAOYSA-N 0 0 333.344 3.242 10 5 EGBERN CC(C)(C)c1ccc(NS(=O)(=O)CCCCF)cc1[N+](=O)[O-] ZINC000451046513 310157495 /nfs/dbraw/zinc/15/74/95/310157495.db2.gz GNXDZCOSJLTFSA-UHFFFAOYSA-N 0 0 332.397 3.384 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000452193072 310217938 /nfs/dbraw/zinc/21/79/38/310217938.db2.gz SNUXAVWFZOCYFG-CYBMUJFWSA-N 0 0 346.362 3.217 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(C2CC2)ccc1F ZINC000452307084 310222425 /nfs/dbraw/zinc/22/24/25/310222425.db2.gz VLLDCWWDIFKZEA-UHFFFAOYSA-N 0 0 329.331 3.245 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCOCC1 ZINC000452405723 310226103 /nfs/dbraw/zinc/22/61/03/310226103.db2.gz DCNOLSWWXKOBJB-UHFFFAOYSA-N 0 0 336.413 3.173 10 5 EGBERN C[C@@]12CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452601566 310234216 /nfs/dbraw/zinc/23/42/16/310234216.db2.gz NXUXOLXJCUWGDV-IHHFWDAISA-N 0 0 344.436 3.358 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ncccc1C ZINC000452801647 310242497 /nfs/dbraw/zinc/24/24/97/310242497.db2.gz ZQSXBALCNUWJIB-MRXNPFEDSA-N 0 0 341.411 3.226 10 5 EGBERN Cc1cc(=O)[nH]c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000452865312 310246458 /nfs/dbraw/zinc/24/64/58/310246458.db2.gz WVJHYCTYOSRXBS-CQSZACIVSA-N 0 0 341.367 3.024 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000452894179 310247663 /nfs/dbraw/zinc/24/76/63/310247663.db2.gz QACANJXOVJBIOV-NHYWBVRUSA-N 0 0 340.807 3.429 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000453161737 310261581 /nfs/dbraw/zinc/26/15/81/310261581.db2.gz FDMQNLFCUFQNCD-UHFFFAOYSA-N 0 0 348.290 3.318 10 5 EGBERN Cc1cc(-c2noc([C@H]3CCCc4nccn43)n2)cc([N+](=O)[O-])c1 ZINC000453255916 310267000 /nfs/dbraw/zinc/26/70/00/310267000.db2.gz FUJZDBSVNBCXOY-CYBMUJFWSA-N 0 0 325.328 3.075 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000454146765 310294554 /nfs/dbraw/zinc/29/45/54/310294554.db2.gz MKZBVARARCHTNO-OAGGEKHMSA-N 0 0 333.388 3.142 10 5 EGBERN COc1ccc(CNC(=O)NCC2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000454311133 310302811 /nfs/dbraw/zinc/30/28/11/310302811.db2.gz WZADRZRNQSRGCH-UHFFFAOYSA-N 0 0 347.415 3.373 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000454359675 310305338 /nfs/dbraw/zinc/30/53/38/310305338.db2.gz KFZYRKVJUUVGBQ-NSHDSACASA-N 0 0 332.360 3.096 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454860407 310333004 /nfs/dbraw/zinc/33/30/04/310333004.db2.gz VBBFLTZOHGEPKP-YOEHRIQHSA-N 0 0 349.431 3.154 10 5 EGBERN Cc1c(CNC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000454862758 310333115 /nfs/dbraw/zinc/33/31/15/310333115.db2.gz YOQKCFPRXPCDMZ-DEWZPKMOSA-N 0 0 341.411 3.257 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000456789848 310422534 /nfs/dbraw/zinc/42/25/34/310422534.db2.gz VFSODZJRURXFRQ-UHFFFAOYSA-N 0 0 345.403 3.112 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000458510234 310507430 /nfs/dbraw/zinc/50/74/30/310507430.db2.gz PHNANXONSSTAOD-XHSDSOJGSA-N 0 0 347.415 3.303 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000462609466 310602495 /nfs/dbraw/zinc/60/24/95/310602495.db2.gz BECQGLUFIIEWQW-JFIYKMOQSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1ccc(CNc2ncc(Br)cc2C)cc1[N+](=O)[O-] ZINC000466967262 310664793 /nfs/dbraw/zinc/66/47/93/310664793.db2.gz MPGJVVGQVQTCNH-UHFFFAOYSA-N 0 0 336.189 3.403 10 5 EGBERN COc1cc(N2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000467793298 310678168 /nfs/dbraw/zinc/67/81/68/310678168.db2.gz RXXQUPROVOXCKV-GFCCVEGCSA-N 0 0 326.368 3.384 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000474379562 310791883 /nfs/dbraw/zinc/79/18/83/310791883.db2.gz VNJLJVLMTDJSBV-MXWKQRLJSA-N 0 0 346.836 3.303 10 5 EGBERN COC(=O)c1cc(NC[C@](C)(O)CCC(C)C)cc(C)c1[N+](=O)[O-] ZINC000474773359 310799081 /nfs/dbraw/zinc/79/90/81/310799081.db2.gz HYUIIJOPFKOHFF-QGZVFWFLSA-N 0 0 338.404 3.289 10 5 EGBERN COC(=O)c1cc(NC[C@@H](OC)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474774419 310799161 /nfs/dbraw/zinc/79/91/61/310799161.db2.gz JHVASOZXZZMZHD-MRXNPFEDSA-N 0 0 344.367 3.489 10 5 EGBERN Cc1c(NCC(=O)N(CC(C)C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000475953968 310820234 /nfs/dbraw/zinc/82/02/34/310820234.db2.gz FUWYVWGYOJDBGQ-UHFFFAOYSA-N 0 0 347.337 3.362 10 5 EGBERN COc1c(C(=O)N(C)Cc2cc(C)ccc2C)cccc1[N+](=O)[O-] ZINC000477104217 310840039 /nfs/dbraw/zinc/84/00/39/310840039.db2.gz XWRJFIQFEOUUBD-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402432 310977131 /nfs/dbraw/zinc/97/71/31/310977131.db2.gz IPVXZKKPPROZAF-UHFFFAOYSA-N 0 0 341.346 3.312 10 5 EGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000486940295 311003128 /nfs/dbraw/zinc/00/31/28/311003128.db2.gz KCSMLHBBNIINDL-UHFFFAOYSA-N 0 0 349.412 3.096 10 5 EGBERN CCOc1cc(NCCCNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000486957452 311004078 /nfs/dbraw/zinc/00/40/78/311004078.db2.gz PZMOFGHGXRAWMO-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN COc1ccc(CNc2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000487153740 311012597 /nfs/dbraw/zinc/01/25/97/311012597.db2.gz GFIIZCZSZUKAEM-UHFFFAOYSA-N 0 0 339.351 3.067 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCN1CCc2ccc(F)c(F)c2C1 ZINC000487155221 311012730 /nfs/dbraw/zinc/01/27/30/311012730.db2.gz LWLSBXJNQYCCNE-UHFFFAOYSA-N 0 0 334.322 3.310 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487878788 311040945 /nfs/dbraw/zinc/04/09/45/311040945.db2.gz LGTFPGWDVIPYAJ-INIZCTEOSA-N 0 0 343.408 3.059 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCc1nc2ccccc2[nH]1 ZINC000487904802 311042269 /nfs/dbraw/zinc/04/22/69/311042269.db2.gz DAOJQUJFZFHGFJ-UHFFFAOYSA-N 0 0 347.378 3.486 10 5 EGBERN COCC[C@H](Cc1ccco1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488129296 311052625 /nfs/dbraw/zinc/05/26/25/311052625.db2.gz QZEQEPGUDALUOM-CYBMUJFWSA-N 0 0 341.367 3.218 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nnc(C3CC3)n2C2CC2)n1 ZINC000489879289 311123784 /nfs/dbraw/zinc/12/37/84/311123784.db2.gz ZOMZWLMBJFOZFB-UHFFFAOYSA-N 0 0 328.376 3.023 10 5 EGBERN C/C(=C/c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000494854207 311517985 /nfs/dbraw/zinc/51/79/85/311517985.db2.gz SFAPATSUHHNJBY-LCYFTJDESA-N 0 0 325.368 3.474 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CSc2nnnn2-c2ccccc2)c(F)c1 ZINC000505427153 312022227 /nfs/dbraw/zinc/02/22/27/312022227.db2.gz KSMWJPNPZOOIOF-UHFFFAOYSA-N 0 0 349.322 3.141 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507303911 312067830 /nfs/dbraw/zinc/06/78/30/312067830.db2.gz JVCCTFWAFVHVLD-MFKMUULPSA-N 0 0 327.331 3.485 10 5 EGBERN O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513412418 312209618 /nfs/dbraw/zinc/20/96/18/312209618.db2.gz ZIFIVKWWLGONED-UWVGGRQHSA-N 0 0 328.290 3.463 10 5 EGBERN CNc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000514928904 312254715 /nfs/dbraw/zinc/25/47/15/312254715.db2.gz NOANEEALQDBUOY-UHFFFAOYSA-N 0 0 331.347 3.356 10 5 EGBERN Cc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2C)sc1C(F)(F)F ZINC000514989704 312258315 /nfs/dbraw/zinc/25/83/15/312258315.db2.gz SURGKXNRXSLHMN-UHFFFAOYSA-N 0 0 346.290 3.334 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000515870030 312301396 /nfs/dbraw/zinc/30/13/96/312301396.db2.gz QJHZKKUDJQISJI-ZDUSSCGKSA-N 0 0 347.371 3.004 10 5 EGBERN COC(=O)c1cc(NC(=O)C[C@@H](C)n2cccc2)c(C)c([N+](=O)[O-])c1 ZINC000519680024 312470140 /nfs/dbraw/zinc/47/01/40/312470140.db2.gz XPPGWSGARMPDPI-LLVKDONJSA-N 0 0 345.355 3.081 10 5 EGBERN COCCOCc1ccc(CNc2c(OC)cccc2[N+](=O)[O-])cc1 ZINC000522014548 312570983 /nfs/dbraw/zinc/57/09/83/312570983.db2.gz VGKZTZPQWWVMPL-UHFFFAOYSA-N 0 0 346.383 3.379 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000531501273 313677819 /nfs/dbraw/zinc/67/78/19/313677819.db2.gz FTIIQHHYVDHFFF-LJQANCHMSA-N 0 0 339.395 3.468 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628389 313692760 /nfs/dbraw/zinc/69/27/60/313692760.db2.gz YBKVTRNEUWDVII-GOEBONIOSA-N 0 0 325.368 3.131 10 5 EGBERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882960 313726423 /nfs/dbraw/zinc/72/64/23/313726423.db2.gz CNEWRAMHGYPWQA-LLVKDONJSA-N 0 0 333.775 3.346 10 5 EGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc2ccccn21 ZINC000536538641 314121176 /nfs/dbraw/zinc/12/11/76/314121176.db2.gz SLORPEIIOSBKCU-LLVKDONJSA-N 0 0 334.339 3.359 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCOc3cccc1c32 ZINC000536738412 314142966 /nfs/dbraw/zinc/14/29/66/314142966.db2.gz SNPXANKRKGXTCS-CYBMUJFWSA-N 0 0 325.368 3.375 10 5 EGBERN Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538239786 314234448 /nfs/dbraw/zinc/23/44/48/314234448.db2.gz NQHFDWHQHMSBHY-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN C[C@@H](NC(=O)c1cc(Br)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000538263257 314235529 /nfs/dbraw/zinc/23/55/29/314235529.db2.gz RPLULFZUPUXHNC-MRVPVSSYSA-N 0 0 338.161 3.176 10 5 EGBERN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000538695928 314265678 /nfs/dbraw/zinc/26/56/78/314265678.db2.gz QPBXCFCGVNBTPQ-OAHLLOKOSA-N 0 0 341.342 3.495 10 5 EGBERN COc1ccc(O[C@@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000541933322 314506443 /nfs/dbraw/zinc/50/64/43/314506443.db2.gz MTTBQDKQVFQBBJ-ZDUSSCGKSA-N 0 0 331.372 3.495 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CCCO)c1 ZINC000541986620 314510089 /nfs/dbraw/zinc/51/00/89/314510089.db2.gz WHBCIYRWYNCUAW-UHFFFAOYSA-N 0 0 348.786 3.354 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000542863109 314588315 /nfs/dbraw/zinc/58/83/15/314588315.db2.gz AONJFIBDJYKTGH-INIZCTEOSA-N 0 0 327.384 3.055 10 5 EGBERN CC(C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000546987298 314868786 /nfs/dbraw/zinc/86/87/86/314868786.db2.gz CIQUVSAPXPQTHV-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OC(C)C ZINC000547338122 314890025 /nfs/dbraw/zinc/89/00/25/314890025.db2.gz RUVVEDWOMDKNOX-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(CC2)c2ccccc21 ZINC000548164064 314980791 /nfs/dbraw/zinc/98/07/91/314980791.db2.gz VNYKERDNKHEEBF-UHFFFAOYSA-N 0 0 337.379 3.394 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548773260 315045296 /nfs/dbraw/zinc/04/52/96/315045296.db2.gz HSFJDASQMUKYFX-HNNXBMFYSA-N 0 0 343.387 3.087 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2noc(-c3cccs3)n2)n1 ZINC000550340988 315125042 /nfs/dbraw/zinc/12/50/42/315125042.db2.gz MGDGYVMWIGUTMO-UHFFFAOYSA-N 0 0 331.357 3.330 10 5 EGBERN C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1cccc([N+](=O)[O-])c1 ZINC000553003927 315240968 /nfs/dbraw/zinc/24/09/68/315240968.db2.gz AUNRPAWSBCIOCZ-XHDPSFHLSA-N 0 0 326.352 3.208 10 5 EGBERN CCC[C@H](C)[C@H]1CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553147867 315247354 /nfs/dbraw/zinc/24/73/54/315247354.db2.gz WGVNTEJSIRVPFB-SMDDNHRTSA-N 0 0 335.404 3.490 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000553378763 315260724 /nfs/dbraw/zinc/26/07/24/315260724.db2.gz KGIFKAPWNMWBME-NSHDSACASA-N 0 0 347.375 3.035 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000554062121 315296142 /nfs/dbraw/zinc/29/61/42/315296142.db2.gz RCTIGCZZNHGXHD-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000554716837 315344712 /nfs/dbraw/zinc/34/47/12/315344712.db2.gz DBQRIKGBOZMBTK-IQMDTDKHSA-N 0 0 326.343 3.356 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccc(Cn2cccn2)c1 ZINC000554800870 315349962 /nfs/dbraw/zinc/34/99/62/315349962.db2.gz FGYZARJOSSACSX-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN CCN(Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000554911533 315356483 /nfs/dbraw/zinc/35/64/83/315356483.db2.gz RGJWXFDLXOTCCF-UHFFFAOYSA-N 0 0 337.383 3.417 10 5 EGBERN COc1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000558150489 315552865 /nfs/dbraw/zinc/55/28/65/315552865.db2.gz CNTIPSRMEKNAJZ-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000561493836 315766019 /nfs/dbraw/zinc/76/60/19/315766019.db2.gz DOXTYZBISXAILU-SJORKVTESA-N 0 0 339.395 3.335 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCCC[C@H]2O)c(Br)c1 ZINC000135794927 454702575 /nfs/dbraw/zinc/70/25/75/454702575.db2.gz FTSZLTYKPUBNSD-CHWSQXEVSA-N 0 0 329.194 3.463 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000563499759 316029195 /nfs/dbraw/zinc/02/91/95/316029195.db2.gz JTTOIJCYNHLOQE-UHFFFAOYSA-N 0 0 339.351 3.281 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1ccc3ncccc3c1)CCCC2 ZINC000564083829 316111090 /nfs/dbraw/zinc/11/10/90/316111090.db2.gz JZKAOVNUVTUKFP-UHFFFAOYSA-N 0 0 335.363 3.232 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCc1ccc2c(c1)OCCO2 ZINC000564756571 316199392 /nfs/dbraw/zinc/19/93/92/316199392.db2.gz XKOLPKUMAPWLIJ-UHFFFAOYSA-N 0 0 330.340 3.029 10 5 EGBERN CCCC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000565854381 316379344 /nfs/dbraw/zinc/37/93/44/316379344.db2.gz LZBJRQKATXAHAM-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN CCn1cc(CN(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000567835082 316680846 /nfs/dbraw/zinc/68/08/46/316680846.db2.gz KKTNROGYOZJZHV-UHFFFAOYSA-N 0 0 336.779 3.045 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000569587939 316935768 /nfs/dbraw/zinc/93/57/68/316935768.db2.gz ARASKSLNPWTVCB-CYBMUJFWSA-N 0 0 333.388 3.123 10 5 EGBERN CNc1c(C(=O)N2CC[C@](F)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000570743057 317101367 /nfs/dbraw/zinc/10/13/67/317101367.db2.gz SLDGCUQATHZCKX-GOSISDBHSA-N 0 0 343.358 3.347 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000571292153 317179713 /nfs/dbraw/zinc/17/97/13/317179713.db2.gz ZLEDHHJAMDRODV-YVEFUNNKSA-N 0 0 346.358 3.203 10 5 EGBERN Cc1ncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC000571466015 317203281 /nfs/dbraw/zinc/20/32/81/317203281.db2.gz GFIRAEIFSIIVTR-UHFFFAOYSA-N 0 0 337.339 3.304 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572368123 317329595 /nfs/dbraw/zinc/32/95/95/317329595.db2.gz URNPCZAWMIWUAK-NOZJJQNGSA-N 0 0 329.784 3.167 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCc1cn3ccccc3n1)CCCC2 ZINC000572756041 317387388 /nfs/dbraw/zinc/38/73/88/317387388.db2.gz GVLDVFDZKUZAJY-UHFFFAOYSA-N 0 0 337.383 3.171 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1cccc3cccnc31)CCCC2 ZINC000573489383 317492007 /nfs/dbraw/zinc/49/20/07/317492007.db2.gz YXDIFHLNFWYFSD-UHFFFAOYSA-N 0 0 335.363 3.232 10 5 EGBERN CC1(C)CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301301744 456086340 /nfs/dbraw/zinc/08/63/40/456086340.db2.gz VLKFUJXVZNDUMU-UHFFFAOYSA-N 0 0 326.418 3.379 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000172074425 323268278 /nfs/dbraw/zinc/26/82/78/323268278.db2.gz QHIKEZYWURYLIT-UHFFFAOYSA-N 0 0 332.447 3.103 10 5 EGBERN COc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1C(C)=O ZINC000181745755 323501116 /nfs/dbraw/zinc/50/11/16/323501116.db2.gz SONQLVHVBCKNMK-UHFFFAOYSA-N 0 0 331.324 3.264 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1csc(C(F)(F)F)n1 ZINC000187966274 323757390 /nfs/dbraw/zinc/75/73/90/323757390.db2.gz UZZGREUYBCWHBS-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3ccc(C)o3)n2)c1 ZINC000350900549 324135598 /nfs/dbraw/zinc/13/55/98/324135598.db2.gz BDGJTLYGTPNIAS-UHFFFAOYSA-N 0 0 343.339 3.264 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)c3cccnc3)n2)c1 ZINC000350908922 324137665 /nfs/dbraw/zinc/13/76/65/324137665.db2.gz KPVNMIBSCFANEN-NSHDSACASA-N 0 0 340.339 3.124 10 5 EGBERN CC(C)c1[nH]nc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c1[N+](=O)[O-] ZINC000350950425 324144872 /nfs/dbraw/zinc/14/48/72/324144872.db2.gz UYHZECSNVGGOCH-UHFFFAOYSA-N 0 0 345.363 3.110 10 5 EGBERN CO[C@@](C)(c1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000351120589 324173806 /nfs/dbraw/zinc/17/38/06/324173806.db2.gz HGEFVOSXEKBCLD-QGZVFWFLSA-N 0 0 345.355 3.065 10 5 EGBERN Cc1c(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451876881 324346729 /nfs/dbraw/zinc/34/67/29/324346729.db2.gz ZDLFABQBQNUIDW-LBPRGKRZSA-N 0 0 345.365 3.219 10 5 EGBERN CC(C)Oc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc1 ZINC000577736631 324857709 /nfs/dbraw/zinc/85/77/09/324857709.db2.gz UHBYRVNKAWNWAA-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(-c3ccccc3)s2)n1 ZINC000578833523 325024005 /nfs/dbraw/zinc/02/40/05/325024005.db2.gz DVNDEXUSXXODNK-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCc3cnn(C(C)C)c3C2)n1 ZINC000579185181 325072564 /nfs/dbraw/zinc/07/25/64/325072564.db2.gz QOTNWCAGFIHSAL-CQSZACIVSA-N 0 0 329.404 3.353 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCc3cnn(C(C)C)c3C2)n1 ZINC000579185180 325072750 /nfs/dbraw/zinc/07/27/50/325072750.db2.gz QOTNWCAGFIHSAL-AWEZNQCLSA-N 0 0 329.404 3.353 10 5 EGBERN COC(=O)c1ccc(CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000581326998 325352242 /nfs/dbraw/zinc/35/22/42/325352242.db2.gz FZCZWPSKTNBRQF-UHFFFAOYSA-N 0 0 342.351 3.239 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000173165194 455241309 /nfs/dbraw/zinc/24/13/09/455241309.db2.gz QHQGLTUUEQCSNE-IRXDYDNUSA-N 0 0 346.427 3.334 10 5 EGBERN CCc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183192103 455248702 /nfs/dbraw/zinc/24/87/02/455248702.db2.gz WAMXVKSKPDVGBH-UHFFFAOYSA-N 0 0 341.270 3.307 10 5 EGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC1CC1 ZINC000158114823 455270387 /nfs/dbraw/zinc/27/03/87/455270387.db2.gz IVJJTBKTZPJASS-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN CCC(F)(F)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000628846622 460558829 /nfs/dbraw/zinc/55/88/29/460558829.db2.gz UCYSMRKKYAEYIC-UHFFFAOYSA-N 0 0 344.361 3.316 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)Nc1ccc(F)cc1F ZINC000000167417 452525271 /nfs/dbraw/zinc/52/52/71/452525271.db2.gz ZMTAYOQXHYALCP-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000173689403 455327447 /nfs/dbraw/zinc/32/74/47/455327447.db2.gz VMGMXAKKEKRVCA-ZDUSSCGKSA-N 0 0 348.355 3.012 10 5 EGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000005869734 452908269 /nfs/dbraw/zinc/90/82/69/452908269.db2.gz IYJHCHPYAOCVSZ-OLZOCXBDSA-N 0 0 326.352 3.340 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=N)NC2=O)o1 ZINC000005958688 452911541 /nfs/dbraw/zinc/91/15/41/452911541.db2.gz YADDUFGNLQPOEU-NTUHNPAUSA-N 0 0 345.336 3.002 10 5 EGBERN COc1cc(/C=C\C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000005958369 452912482 /nfs/dbraw/zinc/91/24/82/452912482.db2.gz NAIODXVRJHBNCR-BAQGIRSFSA-N 0 0 346.314 3.403 10 5 EGBERN C[C@H](c1ccsc1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703907 460574035 /nfs/dbraw/zinc/57/40/35/460574035.db2.gz LWMNZDXDWMHLDX-QLJPJBMISA-N 0 0 345.380 3.185 10 5 EGBERN CN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000007652786 453099739 /nfs/dbraw/zinc/09/97/39/453099739.db2.gz UXKZKEXGJFXDAK-UHFFFAOYSA-N 0 0 340.788 3.069 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600762913 460594540 /nfs/dbraw/zinc/59/45/40/460594540.db2.gz XOSIYVHCHMVNIM-UGSOOPFHSA-N 0 0 327.384 3.410 10 5 EGBERN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000012740179 453397110 /nfs/dbraw/zinc/39/71/10/453397110.db2.gz NLSOAXMDHOPQKX-SNVBAGLBSA-N 0 0 340.339 3.484 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600808541 460612524 /nfs/dbraw/zinc/61/25/24/460612524.db2.gz LYFMJZSCAMTBKO-ZZKXABKFSA-N 0 0 332.356 3.142 10 5 EGBERN C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000018207736 453647790 /nfs/dbraw/zinc/64/77/90/453647790.db2.gz QZFBKHBXGPIBJU-OLZOCXBDSA-N 0 0 331.416 3.359 10 5 EGBERN CC(=O)c1ccc(OCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024988633 453753889 /nfs/dbraw/zinc/75/38/89/453753889.db2.gz TXBXKAUPCOQLLJ-UHFFFAOYSA-N 0 0 328.324 3.205 10 5 EGBERN Cc1csc([C@@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000184211557 455362087 /nfs/dbraw/zinc/36/20/87/455362087.db2.gz JJCSSLKVVMWMBG-SNVBAGLBSA-N 0 0 345.384 3.261 10 5 EGBERN CNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000026470603 453800994 /nfs/dbraw/zinc/80/09/94/453800994.db2.gz FVQMVVVLVSBVTD-LLVKDONJSA-N 0 0 336.420 3.262 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000026851957 453806593 /nfs/dbraw/zinc/80/65/93/453806593.db2.gz POSXZETUNHBTDX-OAHLLOKOSA-N 0 0 339.395 3.114 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)o1 ZINC000029270841 453827841 /nfs/dbraw/zinc/82/78/41/453827841.db2.gz YVBDCTCQJKNBAT-UHFFFAOYSA-N 0 0 343.383 3.369 10 5 EGBERN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000031005992 453844244 /nfs/dbraw/zinc/84/42/44/453844244.db2.gz UWJDKXCKFPPJFN-UHFFFAOYSA-N 0 0 347.802 3.343 10 5 EGBERN O=c1[nH]c(COc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 ZINC000075092247 453858794 /nfs/dbraw/zinc/85/87/94/453858794.db2.gz XEOASSUABAJEDI-UHFFFAOYSA-N 0 0 331.715 3.064 10 5 EGBERN Cn1cnc2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000075327199 453880113 /nfs/dbraw/zinc/88/01/13/453880113.db2.gz HVMVCLREMUYSAR-UHFFFAOYSA-N 0 0 335.323 3.215 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000067047156 453897258 /nfs/dbraw/zinc/89/72/58/453897258.db2.gz OJCIFLVRELWFLP-JTQLQIEISA-N 0 0 335.360 3.210 10 5 EGBERN CCN(CC(=O)Nc1cccc(OC)c1)Cc1csc([N+](=O)[O-])c1 ZINC000054152765 453913794 /nfs/dbraw/zinc/91/37/94/453913794.db2.gz DFVBKDSCRZGFAH-UHFFFAOYSA-N 0 0 349.412 3.126 10 5 EGBERN CC(C)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nn1C ZINC000081843739 453914606 /nfs/dbraw/zinc/91/46/06/453914606.db2.gz LEDXEPGKPJAHGA-NSHDSACASA-N 0 0 328.372 3.043 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067502396 453935786 /nfs/dbraw/zinc/93/57/86/453935786.db2.gz AQXKWCYSTUNGBO-ZBFHGGJFSA-N 0 0 325.368 3.313 10 5 EGBERN C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000067649998 453952909 /nfs/dbraw/zinc/95/29/09/453952909.db2.gz JZSPOESOGIVIMG-JTQLQIEISA-N 0 0 346.305 3.251 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000076063713 453955283 /nfs/dbraw/zinc/95/52/83/453955283.db2.gz MOTSPQWRZBEVBY-SNVBAGLBSA-N 0 0 338.360 3.311 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2cccnc2)cc1[N+](=O)[O-] ZINC000084808151 454011088 /nfs/dbraw/zinc/01/10/88/454011088.db2.gz ROOJMHSRODNWFF-CHWSQXEVSA-N 0 0 330.340 3.370 10 5 EGBERN C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000084971405 454018923 /nfs/dbraw/zinc/01/89/23/454018923.db2.gz WUFIDYOHESCZKP-GFCCVEGCSA-N 0 0 331.397 3.129 10 5 EGBERN CCO[C@H](C)c1noc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000076717195 454029831 /nfs/dbraw/zinc/02/98/31/454029831.db2.gz UENQARJZBRDFDW-NWDGAFQWSA-N 0 0 334.376 3.268 10 5 EGBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087240234 454072434 /nfs/dbraw/zinc/07/24/34/454072434.db2.gz UBGTTYFIQCREFM-KRWDZBQOSA-N 0 0 340.379 3.394 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nc3ccccc3o2)c1 ZINC000043927307 454083432 /nfs/dbraw/zinc/08/34/32/454083432.db2.gz IUGSTKDASURBIV-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN COc1ccc(C(=O)NC2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000077351415 454095499 /nfs/dbraw/zinc/09/54/99/454095499.db2.gz HDMSOKIEMFLENV-UHFFFAOYSA-N 0 0 326.352 3.279 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])c1 ZINC000077357349 454097005 /nfs/dbraw/zinc/09/70/05/454097005.db2.gz CQJBHBIQRFGHDY-HNNXBMFYSA-N 0 0 341.367 3.117 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2F ZINC000057367767 454121751 /nfs/dbraw/zinc/12/17/51/454121751.db2.gz OHFUCYQNYOWYJV-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnn(CC)c1 ZINC000069740296 454139032 /nfs/dbraw/zinc/13/90/32/454139032.db2.gz UHJPBRZTIIUNMY-CQSZACIVSA-N 0 0 336.779 3.346 10 5 EGBERN COC(=O)c1sccc1CN(C#N)c1ccc(F)c([N+](=O)[O-])c1 ZINC000089401338 454144215 /nfs/dbraw/zinc/14/42/15/454144215.db2.gz PBHGCGGPCIFRBO-UHFFFAOYSA-N 0 0 335.316 3.070 10 5 EGBERN O=C(c1cc(-c2ccccc2)on1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057837408 454151211 /nfs/dbraw/zinc/15/12/11/454151211.db2.gz KIBVPDDGTJQNKD-UHFFFAOYSA-N 0 0 335.319 3.453 10 5 EGBERN Cc1nc2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2o1 ZINC000045309207 454151823 /nfs/dbraw/zinc/15/18/23/454151823.db2.gz OEDVGMZCIOXPDE-UHFFFAOYSA-N 0 0 337.295 3.173 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000045413676 454158773 /nfs/dbraw/zinc/15/87/73/454158773.db2.gz LFGPQJKVFZCBHJ-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000070039819 454165540 /nfs/dbraw/zinc/16/55/40/454165540.db2.gz KTZUDPAYFYAKBQ-DGCLKSJQSA-N 0 0 343.358 3.102 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000078148665 454200791 /nfs/dbraw/zinc/20/07/91/454200791.db2.gz XHCIZMBKQVLRFF-HZPDHXFCSA-N 0 0 338.363 3.296 10 5 EGBERN CC[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130522263 454203054 /nfs/dbraw/zinc/20/30/54/454203054.db2.gz WBLIZDCZEGHWPM-JTQLQIEISA-N 0 0 337.426 3.411 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2ccccc2C)cc1[N+](=O)[O-] ZINC000078231497 454214176 /nfs/dbraw/zinc/21/41/76/454214176.db2.gz ZUPOEBNZDAWEFV-LLVKDONJSA-N 0 0 334.397 3.470 10 5 EGBERN C[C@H](NC(=O)c1ncoc1-c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000071907509 454251057 /nfs/dbraw/zinc/25/10/57/454251057.db2.gz XHJRRIHLRWINSW-JTQLQIEISA-N 0 0 327.296 3.334 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[S@@](C)=O ZINC000131440367 454253941 /nfs/dbraw/zinc/25/39/41/454253941.db2.gz FOCVYUAGHLRUPB-QHCPKHFHSA-N 0 0 332.381 3.034 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000089993914 454257228 /nfs/dbraw/zinc/25/72/28/454257228.db2.gz HZWVXLNZDCKGHB-OAHLLOKOSA-N 0 0 342.399 3.254 10 5 EGBERN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014521 454263170 /nfs/dbraw/zinc/26/31/70/454263170.db2.gz ZAVXCAOAXQEOFK-WFASDCNBSA-N 0 0 349.774 3.016 10 5 EGBERN NC(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090094283 454278644 /nfs/dbraw/zinc/27/86/44/454278644.db2.gz CKPOISVOHCDHTF-KGLIPLIRSA-N 0 0 340.383 3.113 10 5 EGBERN O=C(CSCc1ccncc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000072291706 454287995 /nfs/dbraw/zinc/28/79/95/454287995.db2.gz XVVDBDIGXWGRCU-UHFFFAOYSA-N 0 0 343.408 3.202 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccc(F)cc1)C(C)C ZINC000132057570 454309865 /nfs/dbraw/zinc/30/98/65/454309865.db2.gz QYFCPHNZWXGNOJ-UHFFFAOYSA-N 0 0 334.351 3.071 10 5 EGBERN Cc1ncsc1-c1nc(CNc2cc([N+](=O)[O-])ccc2C)no1 ZINC000132679367 454357873 /nfs/dbraw/zinc/35/78/73/454357873.db2.gz IAYJADFWCAVXRM-UHFFFAOYSA-N 0 0 331.357 3.330 10 5 EGBERN CCc1noc(CC)c1CN[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000097017291 454388204 /nfs/dbraw/zinc/38/82/04/454388204.db2.gz WRZNSQCWJAWGLA-SNVBAGLBSA-N 0 0 347.371 3.287 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000121351353 454425178 /nfs/dbraw/zinc/42/51/78/454425178.db2.gz UGLFNBBFQQUSNS-INIZCTEOSA-N 0 0 346.408 3.432 10 5 EGBERN Cc1cnn(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc2)c1 ZINC000133608489 454445875 /nfs/dbraw/zinc/44/58/75/454445875.db2.gz QLAZWRPUTORPJT-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091631579 454452718 /nfs/dbraw/zinc/45/27/18/454452718.db2.gz MXKZYCWIBTZVNJ-CYBMUJFWSA-N 0 0 345.378 3.040 10 5 EGBERN C[C@H](C(=O)Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612472207 460637412 /nfs/dbraw/zinc/63/74/12/460637412.db2.gz XBPOJJLLHRCEHO-JTQLQIEISA-N 0 0 328.303 3.124 10 5 EGBERN Cc1ncc(Cl)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000079754111 454473535 /nfs/dbraw/zinc/47/35/35/454473535.db2.gz MCJAYDLBOYECEX-UHFFFAOYSA-N 0 0 334.763 3.012 10 5 EGBERN COc1ccc(OC)c(CCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000048545495 454496076 /nfs/dbraw/zinc/49/60/76/454496076.db2.gz QYNZRCQGOAVGSD-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094489 454519199 /nfs/dbraw/zinc/51/91/99/454519199.db2.gz XRADQWIYNIKYLW-KBXCAEBGSA-N 0 0 348.349 3.489 10 5 EGBERN COC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000103362605 454551335 /nfs/dbraw/zinc/55/13/35/454551335.db2.gz UQBJPPVGBJVEKX-LBPRGKRZSA-N 0 0 342.351 3.047 10 5 EGBERN Cc1ccc(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000103931579 454570450 /nfs/dbraw/zinc/57/04/50/454570450.db2.gz LXHKEBLZIKNASK-UHFFFAOYSA-N 0 0 342.380 3.332 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000092583748 454589976 /nfs/dbraw/zinc/58/99/76/454589976.db2.gz ZBXNRWDVUFTCSD-MRVPVSSYSA-N 0 0 347.302 3.206 10 5 EGBERN CCNC(=O)c1ccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])cc1 ZINC000080573245 454601236 /nfs/dbraw/zinc/60/12/36/454601236.db2.gz NUSZGLLBJIJDHC-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN COC(=O)c1cc(Sc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000092663583 454604990 /nfs/dbraw/zinc/60/49/90/454604990.db2.gz HXCPTNLVERNKLR-UHFFFAOYSA-N 0 0 337.382 3.262 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000123126665 454605216 /nfs/dbraw/zinc/60/52/16/454605216.db2.gz QXSIRWHLAUYDCS-ZDUSSCGKSA-N 0 0 343.339 3.249 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000092961234 454659672 /nfs/dbraw/zinc/65/96/72/454659672.db2.gz PAOFTVHILTVIEE-LBPRGKRZSA-N 0 0 328.155 3.442 10 5 EGBERN CCn1cnnc1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105929010 454668723 /nfs/dbraw/zinc/66/87/23/454668723.db2.gz LRPYQHJGZZOXPL-ZDUSSCGKSA-N 0 0 329.404 3.147 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3ccsc3C2)cc1[N+](=O)[O-] ZINC000123822796 454678869 /nfs/dbraw/zinc/67/88/69/454678869.db2.gz OEFFQOAFQJYXTG-UHFFFAOYSA-N 0 0 332.381 3.254 10 5 EGBERN CC[C@@H](NC(=O)C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000161573855 454704786 /nfs/dbraw/zinc/70/47/86/454704786.db2.gz UIDBKSGRAIZAJG-UONOGXRCSA-N 0 0 340.470 3.401 10 5 EGBERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000176327809 454730008 /nfs/dbraw/zinc/73/00/08/454730008.db2.gz XAWWIFSVLGCVBO-CYBMUJFWSA-N 0 0 345.359 3.470 10 5 EGBERN CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000124574922 454749297 /nfs/dbraw/zinc/74/92/97/454749297.db2.gz PTEJNDDZQWPUFP-CQSZACIVSA-N 0 0 348.424 3.432 10 5 EGBERN CC[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000162111205 454752097 /nfs/dbraw/zinc/75/20/97/454752097.db2.gz BNXPDYLFNQDCEH-HSMVNMDESA-N 0 0 335.404 3.301 10 5 EGBERN CC[C@@H](NC(=O)N(C[C@H]1CCOC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176708413 454773709 /nfs/dbraw/zinc/77/37/09/454773709.db2.gz IHOURZYCBVSLQT-CXAGYDPISA-N 0 0 347.415 3.256 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC(Nc2ccccc2F)CC1 ZINC000107831736 454774670 /nfs/dbraw/zinc/77/46/70/454774670.db2.gz JTCVAZYDMHILFR-UHFFFAOYSA-N 0 0 343.358 3.451 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000162664214 454792116 /nfs/dbraw/zinc/79/21/16/454792116.db2.gz WXTIPHVRKKNNSQ-GUYCJALGSA-N 0 0 333.388 3.062 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000138944817 454800272 /nfs/dbraw/zinc/80/02/72/454800272.db2.gz JOXZINLOFWNAKR-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccc(CNc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-] ZINC000153555989 454805672 /nfs/dbraw/zinc/80/56/72/454805672.db2.gz HKCPHXFPOUPWSP-UHFFFAOYSA-N 0 0 339.355 3.011 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000162995844 454815893 /nfs/dbraw/zinc/81/58/93/454815893.db2.gz HZHJBQLFKOKJSX-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153695966 454822071 /nfs/dbraw/zinc/82/20/71/454822071.db2.gz ZQDSYXUQNMHPJY-UHFFFAOYSA-N 0 0 334.416 3.112 10 5 EGBERN CCOC(=O)Cc1c(CC)nn(Cc2ccc([N+](=O)[O-])cc2)c1CC ZINC000144929655 454851104 /nfs/dbraw/zinc/85/11/04/454851104.db2.gz NNFCNOQLLZRUCS-UHFFFAOYSA-N 0 0 345.399 3.070 10 5 EGBERN COc1cccc([C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCO2)c1 ZINC000154100012 454865204 /nfs/dbraw/zinc/86/52/04/454865204.db2.gz CHMYZVNQXYAMCB-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000150837762 454899516 /nfs/dbraw/zinc/89/95/16/454899516.db2.gz JTXMTLSEBKRURH-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CC[C@H](NCc1cc(-c2cnn(C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000185055941 455492942 /nfs/dbraw/zinc/49/29/42/455492942.db2.gz QLLOHFMWZPIWTQ-INIZCTEOSA-N 0 0 341.371 3.224 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177795061 454906768 /nfs/dbraw/zinc/90/67/68/454906768.db2.gz LUEJQBZLELBKMW-GYCJOSAFSA-N 0 0 346.408 3.213 10 5 EGBERN CC[C@H](NC(=O)Cc1n[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177808183 454908905 /nfs/dbraw/zinc/90/89/05/454908905.db2.gz HSVHOQTUJPGQEN-HNNXBMFYSA-N 0 0 338.367 3.281 10 5 EGBERN CC(C)CC(=O)N1CCC(CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000185009074 455486001 /nfs/dbraw/zinc/48/60/01/455486001.db2.gz QJSPNXAZYJZXAT-UHFFFAOYSA-N 0 0 337.445 3.367 10 5 EGBERN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000127283998 454950772 /nfs/dbraw/zinc/95/07/72/454950772.db2.gz DOYGTNXMPORKIN-SNVBAGLBSA-N 0 0 335.310 3.433 10 5 EGBERN Cc1cc(C)c(C)c(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1C ZINC000127294359 454952215 /nfs/dbraw/zinc/95/22/15/454952215.db2.gz BETDIIJJIRWLLW-UHFFFAOYSA-N 0 0 328.368 3.182 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000151247858 454958014 /nfs/dbraw/zinc/95/80/14/454958014.db2.gz GGMGMOHFEWJQJP-UHFFFAOYSA-N 0 0 343.387 3.044 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000170692899 454958701 /nfs/dbraw/zinc/95/87/01/454958701.db2.gz VWSONIVNMJUPLX-ZDUSSCGKSA-N 0 0 331.397 3.291 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cccc(Cl)c2)n1 ZINC000191625063 455504617 /nfs/dbraw/zinc/50/46/17/455504617.db2.gz RCPFDYQPDIFUBT-UHFFFAOYSA-N 0 0 336.779 3.130 10 5 EGBERN COc1ccc(Cl)cc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170851278 454987704 /nfs/dbraw/zinc/98/77/04/454987704.db2.gz OYHAVQAYIJNIES-UHFFFAOYSA-N 0 0 349.774 3.232 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000151835603 455036831 /nfs/dbraw/zinc/03/68/31/455036831.db2.gz LYAXWUMKFXWLQC-DIFFPNOSSA-N 0 0 344.342 3.198 10 5 EGBERN Cc1oc(-c2ccccc2)nc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155867905 455055604 /nfs/dbraw/zinc/05/56/04/455055604.db2.gz NGBBUFIQJGWTCY-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000156134267 455085438 /nfs/dbraw/zinc/08/54/38/455085438.db2.gz LKKMJHIKMWMFCV-DZGCQCFKSA-N 0 0 327.340 3.281 10 5 EGBERN CC(=O)c1ccc(OCc2nc(-c3ccoc3)no2)c([N+](=O)[O-])c1 ZINC000119061008 455123417 /nfs/dbraw/zinc/12/34/17/455123417.db2.gz GTADDRFGEZANCJ-UHFFFAOYSA-N 0 0 329.268 3.019 10 5 EGBERN COC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000180069625 455126853 /nfs/dbraw/zinc/12/68/53/455126853.db2.gz COBHXRIMEGBVJZ-UHFFFAOYSA-N 0 0 340.382 3.374 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000172177724 455132508 /nfs/dbraw/zinc/13/25/08/455132508.db2.gz MKOYIESZJDNZTE-ZDUSSCGKSA-N 0 0 339.804 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000156627865 455139990 /nfs/dbraw/zinc/13/99/90/455139990.db2.gz ZTWSSLNCDKCGLQ-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC000189303580 455173181 /nfs/dbraw/zinc/17/31/81/455173181.db2.gz VQKSZKPUOVCXHC-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C[C@H](C)O2 ZINC000172717649 455177168 /nfs/dbraw/zinc/17/71/68/455177168.db2.gz LHBGDHUDNFRFRT-LBPRGKRZSA-N 0 0 342.351 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(OCCOCC(F)(F)C(F)F)c2cccnc21 ZINC000189359560 455185178 /nfs/dbraw/zinc/18/51/78/455185178.db2.gz TYRDHEXFNYBCTB-UHFFFAOYSA-N 0 0 348.252 3.439 10 5 EGBERN Cc1ccc2ncnc(N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c2c1 ZINC000190249192 455290607 /nfs/dbraw/zinc/29/06/07/455290607.db2.gz OYLOOMWEJPDWQE-UHFFFAOYSA-N 0 0 336.351 3.114 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000173592317 455311675 /nfs/dbraw/zinc/31/16/75/455311675.db2.gz CUWDZIWGDKKAKD-ZDUSSCGKSA-N 0 0 348.334 3.218 10 5 EGBERN CC[C@H](CSC)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181458093 455337456 /nfs/dbraw/zinc/33/74/56/455337456.db2.gz SZIBTVJHKOLOBY-OCCSQVGLSA-N 0 0 325.434 3.487 10 5 EGBERN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000265595319 455347357 /nfs/dbraw/zinc/34/73/57/455347357.db2.gz YTDYMZVQIBPUKK-OAHLLOKOSA-N 0 0 332.791 3.136 10 5 EGBERN COc1cc(CN[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000184407357 455377567 /nfs/dbraw/zinc/37/75/67/455377567.db2.gz DPFXKNGFKHXGOI-VIFPVBQESA-N 0 0 325.365 3.358 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCS[C@@H]4CCCC[C@H]43)cc2N1 ZINC000245881980 455391754 /nfs/dbraw/zinc/39/17/54/455391754.db2.gz KLIMGENQDTZDFC-CZUORRHYSA-N 0 0 347.440 3.344 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000184602846 455412254 /nfs/dbraw/zinc/41/22/54/455412254.db2.gz VOLKDISVGNILRM-AWEZNQCLSA-N 0 0 336.432 3.371 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000184708285 455433042 /nfs/dbraw/zinc/43/30/42/455433042.db2.gz YJEQGVOZFONBAP-QGZVFWFLSA-N 0 0 325.368 3.293 10 5 EGBERN Cc1sc(C(=O)NCc2nc3cc(C)ccc3n2C)cc1[N+](=O)[O-] ZINC000184885543 455467182 /nfs/dbraw/zinc/46/71/82/455467182.db2.gz WUDQAWOYIUGINB-UHFFFAOYSA-N 0 0 344.396 3.090 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000191560195 455496481 /nfs/dbraw/zinc/49/64/81/455496481.db2.gz HSPPJIYUCCZYGH-HNNXBMFYSA-N 0 0 340.383 3.103 10 5 EGBERN CC[C@@H](NC(=O)NCCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000176095235 455539329 /nfs/dbraw/zinc/53/93/29/455539329.db2.gz FKKYOJSVDSQGGB-QGZVFWFLSA-N 0 0 343.383 3.293 10 5 EGBERN COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246989195 455541154 /nfs/dbraw/zinc/54/11/54/455541154.db2.gz KCLNUANNGXOZNW-UKRRQHHQSA-N 0 0 342.399 3.246 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000267378354 455550166 /nfs/dbraw/zinc/55/01/66/455550166.db2.gz LATSUSAOWRDUML-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000161341848 455561135 /nfs/dbraw/zinc/56/11/35/455561135.db2.gz LYEPUMSRCRUDCZ-AWEZNQCLSA-N 0 0 348.399 3.215 10 5 EGBERN Cc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000161350565 455561725 /nfs/dbraw/zinc/56/17/25/455561725.db2.gz MUEIWTLNPWSWDF-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163071 455567814 /nfs/dbraw/zinc/56/78/14/455567814.db2.gz SCYBGZRNCYVMOU-SCLBCKFNSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@@H](C(=O)NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000185530427 455573833 /nfs/dbraw/zinc/57/38/33/455573833.db2.gz NQVCDTGIIWXVJD-SECBINFHSA-N 0 0 337.738 3.202 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccncc2)C1 ZINC000612616697 460679908 /nfs/dbraw/zinc/67/99/08/460679908.db2.gz TUGINUKTFJMIJG-ZDUSSCGKSA-N 0 0 344.346 3.225 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268159351 455606632 /nfs/dbraw/zinc/60/66/32/455606632.db2.gz OUUYYCLRUNWAHZ-HNNXBMFYSA-N 0 0 342.399 3.175 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000271454471 455642120 /nfs/dbraw/zinc/64/21/20/455642120.db2.gz WCOOGZGHEBCFEP-CQSZACIVSA-N 0 0 348.790 3.253 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000271618482 455701759 /nfs/dbraw/zinc/70/17/59/455701759.db2.gz DOHBFFYVSQGOPA-ZIAGYGMSSA-N 0 0 341.415 3.462 10 5 EGBERN CC[C@@H](C)[C@H](O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277999046 455730960 /nfs/dbraw/zinc/73/09/60/455730960.db2.gz HLYDADKSBSNHJV-SJKOYZFVSA-N 0 0 338.407 3.230 10 5 EGBERN CCC(CC)(CCO)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271774512 455754351 /nfs/dbraw/zinc/75/43/51/455754351.db2.gz XZHAHRGPYBWRFW-CYBMUJFWSA-N 0 0 337.420 3.144 10 5 EGBERN CCN(CC(C)(C)O)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278113990 455761698 /nfs/dbraw/zinc/76/16/98/455761698.db2.gz KVAMJWUTEWBJRI-UHFFFAOYSA-N 0 0 338.407 3.327 10 5 EGBERN O=C(NCCCCCCO)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278124614 455764166 /nfs/dbraw/zinc/76/41/66/455764166.db2.gz SXOZLXDRSQZFIA-UHFFFAOYSA-N 0 0 338.407 3.376 10 5 EGBERN COc1ccc(NC(=O)c2csc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000194046364 455796251 /nfs/dbraw/zinc/79/62/51/455796251.db2.gz IHRHBSSAFHYECJ-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000272135090 455856100 /nfs/dbraw/zinc/85/61/00/455856100.db2.gz SWYYUBASVVOCST-TZMCWYRMSA-N 0 0 340.807 3.117 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194606913 455864148 /nfs/dbraw/zinc/86/41/48/455864148.db2.gz FEQFDPSUXVNJRO-AWEZNQCLSA-N 0 0 342.399 3.139 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3COc4ccccc43)cc2N1 ZINC000194657678 455870011 /nfs/dbraw/zinc/87/00/11/455870011.db2.gz VCEITQPNSVYETH-AWEZNQCLSA-N 0 0 325.324 3.025 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000272308306 455909338 /nfs/dbraw/zinc/90/93/38/455909338.db2.gz YTFJAASELUKBPF-OCCSQVGLSA-N 0 0 340.807 3.117 10 5 EGBERN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000285883825 455934134 /nfs/dbraw/zinc/93/41/34/455934134.db2.gz CLPILVDXSQYZQK-OKILXGFUSA-N 0 0 336.391 3.343 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195331987 455945109 /nfs/dbraw/zinc/94/51/09/455945109.db2.gz DBSDBXHHLHRIIJ-INIZCTEOSA-N 0 0 331.419 3.308 10 5 EGBERN COC(=O)c1cc(NC(=O)CC(C)(C)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000280339630 455951415 /nfs/dbraw/zinc/95/14/15/455951415.db2.gz MCXWEAARNITZRP-UHFFFAOYSA-N 0 0 348.277 3.299 10 5 EGBERN O=C(CN1CCCC[C@@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000195370047 455951876 /nfs/dbraw/zinc/95/18/76/455951876.db2.gz QUJPUIBSSQYGLE-CQSZACIVSA-N 0 0 346.412 3.217 10 5 EGBERN CO[C@H]1C[C@@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000285996886 455957499 /nfs/dbraw/zinc/95/74/99/455957499.db2.gz MHHVQBRKXLURBM-BETUJISGSA-N 0 0 336.391 3.343 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000187858427 455962436 /nfs/dbraw/zinc/96/24/36/455962436.db2.gz BGHNQAPMDXJVBO-BXUZGUMPSA-N 0 0 338.429 3.204 10 5 EGBERN COc1ccc(O)cc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188137395 456006624 /nfs/dbraw/zinc/00/66/24/456006624.db2.gz KANNEMNHPKRHIA-LLVKDONJSA-N 0 0 330.340 3.108 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270668372 456010552 /nfs/dbraw/zinc/01/05/52/456010552.db2.gz BTFAETATEOKGEH-LLVKDONJSA-N 0 0 333.775 3.372 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000198956856 456014744 /nfs/dbraw/zinc/01/47/44/456014744.db2.gz QJEONJQTMTUPMQ-UHFFFAOYSA-N 0 0 331.347 3.195 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1CC(F)F ZINC000286351031 456029567 /nfs/dbraw/zinc/02/95/67/456029567.db2.gz GZEVDXDSVPGAOQ-AWEZNQCLSA-N 0 0 344.358 3.238 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000601105330 460711708 /nfs/dbraw/zinc/71/17/08/460711708.db2.gz DOJCTBZAJPWUKN-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2cnccc2CO)cc1[N+](=O)[O-] ZINC000270958974 456076479 /nfs/dbraw/zinc/07/64/79/456076479.db2.gz QXMSDCWBWRNUGZ-UHFFFAOYSA-N 0 0 329.356 3.032 10 5 EGBERN Cc1c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)sc2nccn12 ZINC000270963754 456078204 /nfs/dbraw/zinc/07/82/04/456078204.db2.gz AVAWHWVFALYSEY-UHFFFAOYSA-N 0 0 342.380 3.205 10 5 EGBERN Cc1ccnc(NCc2ccc(N3CCCCC3=O)cc2)c1[N+](=O)[O-] ZINC000301306480 456087545 /nfs/dbraw/zinc/08/75/45/456087545.db2.gz UXSBSQUAFUYBJI-UHFFFAOYSA-N 0 0 340.383 3.427 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+]2CCC1CC2 ZINC000188835127 456147402 /nfs/dbraw/zinc/14/74/02/456147402.db2.gz JNCHANDAPKYZQU-UHFFFAOYSA-N 0 0 331.419 3.308 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301582548 456153060 /nfs/dbraw/zinc/15/30/60/456153060.db2.gz AADWMNITEZCURB-GFCCVEGCSA-N 0 0 331.347 3.433 10 5 EGBERN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000301591867 456155906 /nfs/dbraw/zinc/15/59/06/456155906.db2.gz YFZMFEKAABWTSR-MRVPVSSYSA-N 0 0 336.360 3.438 10 5 EGBERN CCOc1cc(N2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000301627478 456167174 /nfs/dbraw/zinc/16/71/74/456167174.db2.gz HIWZPALKFGNZOY-XJKSGUPXSA-N 0 0 330.388 3.278 10 5 EGBERN CS[C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301669385 456179987 /nfs/dbraw/zinc/17/99/87/456179987.db2.gz DQCRLKVTRUHMOA-UWVGGRQHSA-N 0 0 337.401 3.012 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000301754338 456206869 /nfs/dbraw/zinc/20/68/69/456206869.db2.gz CLOCDJPAUFPLQS-LUIPGBGBSA-N 0 0 334.372 3.151 10 5 EGBERN CC[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1C ZINC000301948037 456257040 /nfs/dbraw/zinc/25/70/40/456257040.db2.gz HTBJVHGSHBSHJU-ZDUSSCGKSA-N 0 0 341.371 3.215 10 5 EGBERN COc1cc2c(cc1CNc1cc(CO)ccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000302029998 456271658 /nfs/dbraw/zinc/27/16/58/456271658.db2.gz JQJSSLIYQJUEIL-NSHDSACASA-N 0 0 344.367 3.031 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000302042076 456274156 /nfs/dbraw/zinc/27/41/56/456274156.db2.gz NZQZIRBDGORXAD-OAHLLOKOSA-N 0 0 345.374 3.307 10 5 EGBERN C[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000302053897 456276128 /nfs/dbraw/zinc/27/61/28/456276128.db2.gz PUSDPLALTVAUDB-ZBEGNZNMSA-N 0 0 334.397 3.115 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1nc2c(s1)CCCC2 ZINC000302055060 456277247 /nfs/dbraw/zinc/27/72/47/456277247.db2.gz QJKATADCHSDQAT-UHFFFAOYSA-N 0 0 333.413 3.077 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(Cl)nc2)c1 ZINC000302104259 456287350 /nfs/dbraw/zinc/28/73/50/456287350.db2.gz RGSPWHWPWNJLKH-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN COC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000342886174 456294194 /nfs/dbraw/zinc/29/41/94/456294194.db2.gz GJBZFJHZIVTJPU-OAHLLOKOSA-N 0 0 339.351 3.194 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000302142381 456297918 /nfs/dbraw/zinc/29/79/18/456297918.db2.gz PNLDNDZFNWVKRN-BLLLJJGKSA-N 0 0 341.367 3.364 10 5 EGBERN Cc1c(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cnn1CC(C)C ZINC000601136055 460726101 /nfs/dbraw/zinc/72/61/01/460726101.db2.gz MUWALANWXUFHLC-UHFFFAOYSA-N 0 0 346.313 3.252 10 5 EGBERN Cc1cnc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000281751598 456309104 /nfs/dbraw/zinc/30/91/04/456309104.db2.gz BZQKTRKSKWZQDT-AWEZNQCLSA-N 0 0 341.415 3.215 10 5 EGBERN Cc1nc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000275790473 456314849 /nfs/dbraw/zinc/31/48/49/456314849.db2.gz ZGBGOSGKQKVJTM-MRXNPFEDSA-N 0 0 341.415 3.252 10 5 EGBERN CN(C[C@H]1CC=CCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000302202275 456315196 /nfs/dbraw/zinc/31/51/96/456315196.db2.gz ZROMGUCZOMJTJK-ZDUSSCGKSA-N 0 0 329.400 3.280 10 5 EGBERN CO[C@H](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000347723274 456327423 /nfs/dbraw/zinc/32/74/23/456327423.db2.gz QYMLJEOPYRLGHN-GFCCVEGCSA-N 0 0 349.309 3.301 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)c1ccncc1 ZINC000601137627 460727982 /nfs/dbraw/zinc/72/79/82/460727982.db2.gz ZSVXTNCCARWMON-UHFFFAOYSA-N 0 0 343.309 3.132 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1CCOCC1 ZINC000275906759 456347114 /nfs/dbraw/zinc/34/71/14/456347114.db2.gz VJMUTAKXBDFCAJ-JTQLQIEISA-N 0 0 326.780 3.102 10 5 EGBERN Cc1cccc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c1[N+](=O)[O-] ZINC000302478453 456348017 /nfs/dbraw/zinc/34/80/17/456348017.db2.gz FWNLBFYTIBYCCY-ZDUSSCGKSA-N 0 0 338.367 3.114 10 5 EGBERN O=c1[nH]cnc2cc(N3Cc4ccccc4C4(CC4)C3)c([N+](=O)[O-])cc21 ZINC000302493349 456349154 /nfs/dbraw/zinc/34/91/54/456349154.db2.gz TXGHMPQHGMLZKY-UHFFFAOYSA-N 0 0 348.362 3.295 10 5 EGBERN C[C@@H]1Cc2ccccc2CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601143618 460729669 /nfs/dbraw/zinc/72/96/69/460729669.db2.gz HKSINDNIMAJSIE-SECBINFHSA-N 0 0 340.305 3.298 10 5 EGBERN CC(C)Cc1ncc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148432 460730689 /nfs/dbraw/zinc/73/06/89/460730689.db2.gz BSKVCMOMXFOTKR-KRWDZBQOSA-N 0 0 349.456 3.247 10 5 EGBERN C[C@H](NC(=O)NCCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000290584296 456373779 /nfs/dbraw/zinc/37/37/79/456373779.db2.gz ARSDLTWTVPFTHT-NSHDSACASA-N 0 0 334.401 3.044 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CC2CC2)c2ccccc2)c1 ZINC000612789615 460730903 /nfs/dbraw/zinc/73/09/03/460730903.db2.gz CFFVFAQCHUOGPQ-QGZVFWFLSA-N 0 0 346.408 3.415 10 5 EGBERN COc1cc(NC[C@](C)(O)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302698563 456377518 /nfs/dbraw/zinc/37/75/18/456377518.db2.gz HIYWZVRSKXNUIG-INIZCTEOSA-N 0 0 326.368 3.486 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000298175687 456381495 /nfs/dbraw/zinc/38/14/95/456381495.db2.gz CRRUWNQRQKBOEL-BDAKNGLRSA-N 0 0 331.294 3.163 10 5 EGBERN CN(CC1CC(O)C1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276094137 456387595 /nfs/dbraw/zinc/38/75/95/456387595.db2.gz WPXLLTAKBIALPI-UHFFFAOYSA-N 0 0 338.713 3.474 10 5 EGBERN C[C@](CO)(NCc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149310 460732157 /nfs/dbraw/zinc/73/21/57/460732157.db2.gz KUPKVYMMCLGNJP-MRXNPFEDSA-N 0 0 338.766 3.385 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1CSC ZINC000290856122 456448234 /nfs/dbraw/zinc/44/82/34/456448234.db2.gz DDUYOXVUYNBRAJ-CQSZACIVSA-N 0 0 347.444 3.205 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC=C(Br)C1 ZINC000282248881 456455887 /nfs/dbraw/zinc/45/58/87/456455887.db2.gz OLGSMZPTTHLHND-UHFFFAOYSA-N 0 0 345.580 3.373 10 5 EGBERN Cc1ccc(C(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000282311210 456474098 /nfs/dbraw/zinc/47/40/98/456474098.db2.gz RSKGQAHMPCDTRV-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC=C(Br)C1 ZINC000282317533 456475031 /nfs/dbraw/zinc/47/50/31/456475031.db2.gz SDSASAHQESFBKH-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(N3CCc4cc(F)ccc43)CC2)s1 ZINC000282368086 456492768 /nfs/dbraw/zinc/49/27/68/456492768.db2.gz XXOQVBZWYGNUOZ-UHFFFAOYSA-N 0 0 348.403 3.222 10 5 EGBERN CC(C)(CCc1noc(/C=C/c2cnc3ccccc3n2)n1)[N+](=O)[O-] ZINC000291091129 456524759 /nfs/dbraw/zinc/52/47/59/456524759.db2.gz PMNNELGUCUOCEK-BQYQJAHWSA-N 0 0 339.355 3.171 10 5 EGBERN COc1nn(C)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353191802 456549012 /nfs/dbraw/zinc/54/90/12/456549012.db2.gz LAQFZLVUOZOCNG-UHFFFAOYSA-N 0 0 328.328 3.209 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248381 456568503 /nfs/dbraw/zinc/56/85/03/456568503.db2.gz UZRSGOIQOUXTMC-WPRPVWTQSA-N 0 0 328.294 3.244 10 5 EGBERN CCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338003670 456650432 /nfs/dbraw/zinc/65/04/32/456650432.db2.gz LQIUIUCIEJHFCF-UHFFFAOYSA-N 0 0 341.367 3.295 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)COc1ccccc1 ZINC000348419492 456678696 /nfs/dbraw/zinc/67/86/96/456678696.db2.gz HTGKQDCEIBJEOP-LBPRGKRZSA-N 0 0 330.340 3.257 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000291774331 456752749 /nfs/dbraw/zinc/75/27/49/456752749.db2.gz HSEOQVSMPGEGDH-HWKANZROSA-N 0 0 326.299 3.238 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000301069229 456788122 /nfs/dbraw/zinc/78/81/22/456788122.db2.gz FFCVOKHCKSGFLZ-AWEZNQCLSA-N 0 0 346.774 3.305 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000283697795 456825706 /nfs/dbraw/zinc/82/57/06/456825706.db2.gz QGXVDZZTYFTTSW-UHFFFAOYSA-N 0 0 342.399 3.365 10 5 EGBERN Cc1cc(NCC2(O)CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301224821 456826482 /nfs/dbraw/zinc/82/64/82/456826482.db2.gz FQOOQAAHROJTKH-UHFFFAOYSA-N 0 0 328.372 3.077 10 5 EGBERN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000348797203 456859791 /nfs/dbraw/zinc/85/97/91/456859791.db2.gz FVSZMVBUGPYZJV-IUODEOHRSA-N 0 0 325.368 3.371 10 5 EGBERN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000348797204 456859886 /nfs/dbraw/zinc/85/98/86/456859886.db2.gz FVSZMVBUGPYZJV-SWLSCSKDSA-N 0 0 325.368 3.371 10 5 EGBERN COc1cc(NCC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000344983422 456886705 /nfs/dbraw/zinc/88/67/05/456886705.db2.gz JMRPYQFAOTXRCS-LLVKDONJSA-N 0 0 326.246 3.122 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000349182046 456905761 /nfs/dbraw/zinc/90/57/61/456905761.db2.gz UNQUJECKISYVOP-OCCSQVGLSA-N 0 0 346.362 3.016 10 5 EGBERN CC[C@@H](SC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341725753 456917002 /nfs/dbraw/zinc/91/70/02/456917002.db2.gz KQPFOZGGOKBSBQ-SNVBAGLBSA-N 0 0 333.207 3.437 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000339078337 456929655 /nfs/dbraw/zinc/92/96/55/456929655.db2.gz SSNIRGTXFLDKJQ-ZUZCIYMTSA-N 0 0 330.315 3.028 10 5 EGBERN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000345112807 456929819 /nfs/dbraw/zinc/92/98/19/456929819.db2.gz YKMFMWACYJENJQ-UHFFFAOYSA-N 0 0 339.233 3.070 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(F)F)CC1CCC1 ZINC000341764199 456932646 /nfs/dbraw/zinc/93/26/46/456932646.db2.gz RBYJSDQDGRFUPL-UHFFFAOYSA-N 0 0 341.358 3.209 10 5 EGBERN CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341765069 456933267 /nfs/dbraw/zinc/93/32/67/456933267.db2.gz BUKMSWUXQRXCRT-LBPRGKRZSA-N 0 0 342.351 3.054 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341792510 456947026 /nfs/dbraw/zinc/94/70/26/456947026.db2.gz JLKMCFUPPMTFBO-LJQANCHMSA-N 0 0 346.427 3.292 10 5 EGBERN CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344260 456947431 /nfs/dbraw/zinc/94/74/31/456947431.db2.gz RLYRBPJVZXIIEY-RISCZKNCSA-N 0 0 336.413 3.439 10 5 EGBERN COc1ccc(OC)c(CN(c2ccc([N+](=O)[O-])c(C)n2)C2CC2)c1 ZINC000349378685 456957987 /nfs/dbraw/zinc/95/79/87/456957987.db2.gz MEFQAQOYQSVWMJ-UHFFFAOYSA-N 0 0 343.383 3.484 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)C ZINC000353917079 456965012 /nfs/dbraw/zinc/96/50/12/456965012.db2.gz YPWKZPOUXYEVCU-GFCCVEGCSA-N 0 0 335.404 3.055 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000341836794 456965685 /nfs/dbraw/zinc/96/56/85/456965685.db2.gz IHZXRJIFVAIQSG-UHFFFAOYSA-N 0 0 349.350 3.138 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341912943 456996834 /nfs/dbraw/zinc/99/68/34/456996834.db2.gz DCDDGDSQOBJXSO-YPMHNXCESA-N 0 0 349.412 3.059 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356466965 457003669 /nfs/dbraw/zinc/00/36/69/457003669.db2.gz BLJQURNORVXQCO-CZUORRHYSA-N 0 0 332.381 3.125 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] ZINC000341927053 457005790 /nfs/dbraw/zinc/00/57/90/457005790.db2.gz KKGCUPPXQHSCDT-JTQLQIEISA-N 0 0 333.344 3.468 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000354011889 457008294 /nfs/dbraw/zinc/00/82/94/457008294.db2.gz WMGGHESXGBKWRF-UHFFFAOYSA-N 0 0 329.356 3.434 10 5 EGBERN COc1ccc(OC)c(CN(c2ncccc2[N+](=O)[O-])C2CC2)c1 ZINC000354038954 457024943 /nfs/dbraw/zinc/02/49/43/457024943.db2.gz OQBSEJUTSOBXDV-UHFFFAOYSA-N 0 0 329.356 3.176 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000341971414 457033337 /nfs/dbraw/zinc/03/33/37/457033337.db2.gz PANYTGREUQOYET-GFCCVEGCSA-N 0 0 339.367 3.404 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000330783373 457085378 /nfs/dbraw/zinc/08/53/78/457085378.db2.gz IDXRILWNKQYNIW-NXEZZACHSA-N 0 0 328.315 3.314 10 5 EGBERN Cc1cc(OCc2nc([C@@H]3CCO[C@H](C)C3)no2)ccc1[N+](=O)[O-] ZINC000346654333 457094964 /nfs/dbraw/zinc/09/49/64/457094964.db2.gz SXLWEMXDSRSZSW-VXGBXAGGSA-N 0 0 333.344 3.148 10 5 EGBERN O=C(Nc1ccc(=O)[nH]c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000359628953 457101744 /nfs/dbraw/zinc/10/17/44/457101744.db2.gz CBBBNZGRSHNSKN-UHFFFAOYSA-N 0 0 331.331 3.034 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cnn2ccccc12 ZINC000342132659 457127322 /nfs/dbraw/zinc/12/73/22/457127322.db2.gz OVLMSBDBIQZGOL-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000356744874 457146172 /nfs/dbraw/zinc/14/61/72/457146172.db2.gz YTISPPDQEFITBT-NEPJUHHUSA-N 0 0 347.415 3.123 10 5 EGBERN O=C(CCOCC1CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362923884 457157569 /nfs/dbraw/zinc/15/75/69/457157569.db2.gz VMEZWADVGJXCRN-UHFFFAOYSA-N 0 0 346.305 3.047 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000346884157 457187489 /nfs/dbraw/zinc/18/74/89/457187489.db2.gz QLQQZXSFQSODQT-MFKMUULPSA-N 0 0 342.355 3.190 10 5 EGBERN C[C@@H]1COCC[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000346884159 457187763 /nfs/dbraw/zinc/18/77/63/457187763.db2.gz QLQQZXSFQSODQT-ZWNOBZJWSA-N 0 0 342.355 3.190 10 5 EGBERN COc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000347085575 457222066 /nfs/dbraw/zinc/22/20/66/457222066.db2.gz MANLPBNUXNKRAC-PIGZYNQJSA-N 0 0 326.352 3.267 10 5 EGBERN Cc1cc(NCCc2cc(-c3ccncc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000360052300 457227009 /nfs/dbraw/zinc/22/70/09/457227009.db2.gz PLAZFFMLHWXNCN-UHFFFAOYSA-N 0 0 341.346 3.482 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3[C@H](c4ccccc4)[C@@H]3C)n2)n1C ZINC000347130448 457245539 /nfs/dbraw/zinc/24/55/39/457245539.db2.gz CFOMGLXZGRZZQS-TVYUQYBPSA-N 0 0 339.355 3.204 10 5 EGBERN Cc1cc(C)nc(-c2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)c1 ZINC000356973479 457251312 /nfs/dbraw/zinc/25/13/12/457251312.db2.gz CAJAYBOYXLAAOW-UHFFFAOYSA-N 0 0 328.332 3.170 10 5 EGBERN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1nnc2n1CCCCC2 ZINC000360111575 457260448 /nfs/dbraw/zinc/26/04/48/457260448.db2.gz DAMPWHXSHYLDRA-LLVKDONJSA-N 0 0 349.822 3.417 10 5 EGBERN COCCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000347157824 457261831 /nfs/dbraw/zinc/26/18/31/457261831.db2.gz PYLXUCMSYSOIMM-UHFFFAOYSA-N 0 0 342.395 3.235 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C/[C@@H]4CCCO4)n3)c2c1 ZINC000351360407 457266073 /nfs/dbraw/zinc/26/60/73/457266073.db2.gz UGHMNZUILCKTCV-BPJJOFIESA-N 0 0 340.339 3.242 10 5 EGBERN CO[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000354537593 457276336 /nfs/dbraw/zinc/27/63/36/457276336.db2.gz QHICLKZQWWRZJM-SJCJKPOMSA-N 0 0 344.367 3.174 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351447393 457290687 /nfs/dbraw/zinc/29/06/87/457290687.db2.gz IWUHFZAYFLPHSS-VHSXEESVSA-N 0 0 349.343 3.463 10 5 EGBERN O=C(c1cnc2cnccc2c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000360254772 457298261 /nfs/dbraw/zinc/29/82/61/457298261.db2.gz XTZLEPUGBGRFIH-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN COc1cc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc([N+](=O)[O-])c1C ZINC000347231074 457300680 /nfs/dbraw/zinc/30/06/80/457300680.db2.gz XOQCIIWSZAHZIE-SKDRFNHKSA-N 0 0 333.344 3.102 10 5 EGBERN C[C@H]1Cc2ccccc2CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342442872 457306718 /nfs/dbraw/zinc/30/67/18/457306718.db2.gz MHZDSIWORSCCDO-NSHDSACASA-N 0 0 346.333 3.389 10 5 EGBERN Cc1ccccc1OCc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000357221115 457381206 /nfs/dbraw/zinc/38/12/06/457381206.db2.gz NHXJPDVSQGVAJH-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424989286 457396027 /nfs/dbraw/zinc/39/60/27/457396027.db2.gz PYMZOYDDNPAMRY-BLLLJJGKSA-N 0 0 329.400 3.113 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000360883570 457406560 /nfs/dbraw/zinc/40/65/60/457406560.db2.gz DNGRWLIBFFLTLS-ZDUSSCGKSA-N 0 0 342.399 3.413 10 5 EGBERN CCOC(=O)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000360884574 457406815 /nfs/dbraw/zinc/40/68/15/457406815.db2.gz SLJXQNXQKDQJRJ-AWEZNQCLSA-N 0 0 329.356 3.057 10 5 EGBERN Cc1cc(=NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000342625238 457412527 /nfs/dbraw/zinc/41/25/27/457412527.db2.gz ZEDQTAMOGMUFBC-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](c4cccs4)C3)c21 ZINC000347449323 457435239 /nfs/dbraw/zinc/43/52/39/457435239.db2.gz OUWYIXACWBXMOL-CYBMUJFWSA-N 0 0 342.380 3.177 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1nnc2n1CCCCC2 ZINC000363869901 457460608 /nfs/dbraw/zinc/46/06/08/457460608.db2.gz RWYFBCRRCBAZJS-CYBMUJFWSA-N 0 0 329.404 3.072 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc2ccccc2[nH]1 ZINC000357374393 457479265 /nfs/dbraw/zinc/47/92/65/457479265.db2.gz KOFXCHOPMKEJKM-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN CNc1c(C(=O)N2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000360978996 457485168 /nfs/dbraw/zinc/48/51/68/457485168.db2.gz IXJBNQZZJIEXJD-UHFFFAOYSA-N 0 0 337.379 3.324 10 5 EGBERN O=C(COc1c(F)cccc1[N+](=O)[O-])c1ccnc(C(F)(F)F)c1 ZINC000361006749 457505209 /nfs/dbraw/zinc/50/52/09/457505209.db2.gz KNSNLDPBCVLIFI-UHFFFAOYSA-N 0 0 344.220 3.409 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000374187944 457514113 /nfs/dbraw/zinc/51/41/13/457514113.db2.gz RTJOVALWQVPCRG-GFCCVEGCSA-N 0 0 348.428 3.029 10 5 EGBERN CO[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450990 457559766 /nfs/dbraw/zinc/55/97/66/457559766.db2.gz VGZPSWAKEMGFCN-QMTHXVAHSA-N 0 0 343.221 3.214 10 5 EGBERN C[C@H]1C[C@@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490838 457561743 /nfs/dbraw/zinc/56/17/43/457561743.db2.gz XAFSCYGRHVYMEU-STQMWFEESA-N 0 0 346.387 3.305 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000425479196 457571087 /nfs/dbraw/zinc/57/10/87/457571087.db2.gz QNKJHYMTBGPCIS-AEFFLSMTSA-N 0 0 343.358 3.074 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000410149861 457632331 /nfs/dbraw/zinc/63/23/31/457632331.db2.gz KFYATXQRSUEYHP-JOCQHMNTSA-N 0 0 342.399 3.426 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3nc[nH]c3C2)c(Br)c1 ZINC000370680845 457699367 /nfs/dbraw/zinc/69/93/67/457699367.db2.gz LTSBBYTYKCACBO-QMMMGPOBSA-N 0 0 337.177 3.050 10 5 EGBERN Cc1ccncc1CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000357830106 457703626 /nfs/dbraw/zinc/70/36/26/457703626.db2.gz DAXJETRCMLQZPE-LBPRGKRZSA-N 0 0 331.347 3.199 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739496 457710590 /nfs/dbraw/zinc/71/05/90/457710590.db2.gz NKIJXQQEMGSMSA-INIZCTEOSA-N 0 0 345.399 3.299 10 5 EGBERN C[C@@H]1CCSCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000361386695 457714768 /nfs/dbraw/zinc/71/47/68/457714768.db2.gz NUGYEVYKEKIWAH-SECBINFHSA-N 0 0 346.355 3.164 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000364906029 457716167 /nfs/dbraw/zinc/71/61/67/457716167.db2.gz OHDURQQGLIDOCS-RUMSDORHSA-N 0 0 326.356 3.085 10 5 EGBERN CC(C)(C)n1cnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000361442530 457733808 /nfs/dbraw/zinc/73/38/08/457733808.db2.gz IFCHAJPLQLHOJH-UHFFFAOYSA-N 0 0 341.371 3.235 10 5 EGBERN CO[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000361473401 457743614 /nfs/dbraw/zinc/74/36/14/457743614.db2.gz BBYSWDARZYNVCO-MRXNPFEDSA-N 0 0 344.367 3.039 10 5 EGBERN CO[C@H]1CCC[C@@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000410705128 457746451 /nfs/dbraw/zinc/74/64/51/457746451.db2.gz OEUBZBDZRYGOSO-OCCSQVGLSA-N 0 0 343.383 3.017 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000425963550 457748423 /nfs/dbraw/zinc/74/84/23/457748423.db2.gz ALKQOBGHRVZXEZ-MRXNPFEDSA-N 0 0 345.374 3.481 10 5 EGBERN CCNc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000410994606 457777462 /nfs/dbraw/zinc/77/74/62/457777462.db2.gz DNVGPNWDEBOTIP-HNNXBMFYSA-N 0 0 347.415 3.058 10 5 EGBERN Cc1nc([C@](C)(NCc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)no1 ZINC000433300237 457802115 /nfs/dbraw/zinc/80/21/15/457802115.db2.gz CVWKNSZCYXBMQJ-OAHLLOKOSA-N 0 0 336.779 3.355 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCOCC1 ZINC000375148351 457810818 /nfs/dbraw/zinc/81/08/18/457810818.db2.gz LMEYLDKLYQRQHR-SECBINFHSA-N 0 0 343.177 3.113 10 5 EGBERN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443793978 457812418 /nfs/dbraw/zinc/81/24/18/457812418.db2.gz WLQVVVQTLGINBH-BBRMVZONSA-N 0 0 340.445 3.325 10 5 EGBERN CCCc1cc(=NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH][nH]1 ZINC000444004822 457839673 /nfs/dbraw/zinc/83/96/73/457839673.db2.gz NBFLABWFTVZQIP-UHFFFAOYSA-N 0 0 346.390 3.031 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361788193 457860256 /nfs/dbraw/zinc/86/02/56/457860256.db2.gz LXBQCIWTQFPJBL-PBHICJAKSA-N 0 0 341.367 3.494 10 5 EGBERN CCOc1cccc(NC[C@@H](C(=O)OC)c2ccccc2)c1[N+](=O)[O-] ZINC000358253705 457889592 /nfs/dbraw/zinc/88/95/92/457889592.db2.gz GZNARFWLFIHODF-CQSZACIVSA-N 0 0 344.367 3.362 10 5 EGBERN CC(C)(C)n1nnnc1CSCc1ccc([N+](=O)[O-])cc1Cl ZINC000361907405 457947889 /nfs/dbraw/zinc/94/78/89/457947889.db2.gz XNECIUMQCAJKCL-UHFFFAOYSA-N 0 0 341.824 3.423 10 5 EGBERN CCC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000458214048 457972129 /nfs/dbraw/zinc/97/21/29/457972129.db2.gz ANFJZICOJVFTMA-UHFFFAOYSA-N 0 0 325.368 3.102 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCC2CCCC2)n1 ZINC000427391586 457981522 /nfs/dbraw/zinc/98/15/22/457981522.db2.gz ONSLVWCCUDIQEO-AWEZNQCLSA-N 0 0 334.420 3.386 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000458240446 457983754 /nfs/dbraw/zinc/98/37/54/457983754.db2.gz PXCWYMYPXCQMGZ-UHFFFAOYSA-N 0 0 341.367 3.301 10 5 EGBERN CN(CC(F)(F)F)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444858297 457988973 /nfs/dbraw/zinc/98/89/73/457988973.db2.gz MEEVMPPTTOCURX-UHFFFAOYSA-N 0 0 334.297 3.316 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000362023217 458010515 /nfs/dbraw/zinc/01/05/15/458010515.db2.gz GSQQGDGMFVLTBO-BXKDBHETSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@@H](CCNC(=O)c1cc2ccccc2c2cccnc12)[S@@](C)=O ZINC000362157096 458036587 /nfs/dbraw/zinc/03/65/87/458036587.db2.gz OPNNESMFWDWEGE-RKNYENMMSA-N 0 0 340.448 3.275 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000445500206 458057353 /nfs/dbraw/zinc/05/73/53/458057353.db2.gz COGDPEWJAUYRMF-LJQANCHMSA-N 0 0 339.395 3.468 10 5 EGBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428091420 458078319 /nfs/dbraw/zinc/07/83/19/458078319.db2.gz ZMYYPARINWQEAJ-DABQJJPHSA-N 0 0 329.381 3.247 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000412128425 458101519 /nfs/dbraw/zinc/10/15/19/458101519.db2.gz NMPRCMKDMQWFFO-BFHYXJOUSA-N 0 0 331.397 3.422 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000375915410 458122918 /nfs/dbraw/zinc/12/29/18/458122918.db2.gz XJVXZDLAAVDTHY-GFCCVEGCSA-N 0 0 342.399 3.290 10 5 EGBERN O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375929603 458127963 /nfs/dbraw/zinc/12/79/63/458127963.db2.gz WUMDGLZWWAYXNP-TZMCWYRMSA-N 0 0 329.331 3.195 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000372010005 458159494 /nfs/dbraw/zinc/15/94/94/458159494.db2.gz MDHNXCCDQMTLAJ-ZDUSSCGKSA-N 0 0 345.786 3.491 10 5 EGBERN Cc1cc(NC(=O)NC[C@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446264231 458167622 /nfs/dbraw/zinc/16/76/22/458167622.db2.gz GKSZRBWQVUUIQP-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCOCC1 ZINC000369327493 458172998 /nfs/dbraw/zinc/17/29/98/458172998.db2.gz SICQCZJRGCFPOY-SECBINFHSA-N 0 0 343.177 3.113 10 5 EGBERN CCc1noc(C)c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000458822752 458185107 /nfs/dbraw/zinc/18/51/07/458185107.db2.gz XVRVVMODQKDLNQ-UHFFFAOYSA-N 0 0 346.387 3.188 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000436023553 458237882 /nfs/dbraw/zinc/23/78/82/458237882.db2.gz PMJFVQFNTWBXAR-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000373053868 458387139 /nfs/dbraw/zinc/38/71/39/458387139.db2.gz ABEBFQXKFYPRDZ-AWEZNQCLSA-N 0 0 348.790 3.199 10 5 EGBERN CCc1nnc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000459568735 458414726 /nfs/dbraw/zinc/41/47/26/458414726.db2.gz XSWGCXNVQHKDKB-UHFFFAOYSA-N 0 0 347.375 3.159 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430540767 458458843 /nfs/dbraw/zinc/45/88/43/458458843.db2.gz HKMIRNFDJVXKOW-ORAYPTAESA-N 0 0 340.379 3.332 10 5 EGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nn1C(C)C ZINC000459988254 458495329 /nfs/dbraw/zinc/49/53/29/458495329.db2.gz NYHFRCZCGMWXFH-NSHDSACASA-N 0 0 328.372 3.272 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@](O)(C(F)F)C1 ZINC000452673517 458506501 /nfs/dbraw/zinc/50/65/01/458506501.db2.gz WLTYOGBKVMBPGC-IBGZPJMESA-N 0 0 342.345 3.230 10 5 EGBERN CC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000468900651 458542701 /nfs/dbraw/zinc/54/27/01/458542701.db2.gz JAOJMSAECAPHQU-SKDRFNHKSA-N 0 0 333.310 3.242 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000424102397 458558653 /nfs/dbraw/zinc/55/86/53/458558653.db2.gz LQBNBUUNLUBDJH-XMMPIXPASA-N 0 0 349.408 3.271 10 5 EGBERN CCOC(=O)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000431398544 458566249 /nfs/dbraw/zinc/56/62/49/458566249.db2.gz FKUIICZEBQVDQZ-UHFFFAOYSA-N 0 0 328.796 3.412 10 5 EGBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431500990 458580848 /nfs/dbraw/zinc/58/08/48/458580848.db2.gz CCZMTTAZAMJRTM-SSDOTTSWSA-N 0 0 341.140 3.460 10 5 EGBERN Cc1cc(N[C@H](Cc2ccccc2)C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461949976 458582493 /nfs/dbraw/zinc/58/24/93/458582493.db2.gz WUMOAHPEBSXACC-MRXNPFEDSA-N 0 0 345.374 3.154 10 5 EGBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000373756644 458592632 /nfs/dbraw/zinc/59/26/32/458592632.db2.gz HVNLDFPXBRCAHX-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000378038513 458607153 /nfs/dbraw/zinc/60/71/53/458607153.db2.gz HIACYGUWPRLXIB-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN COc1cccc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000373816572 458612869 /nfs/dbraw/zinc/61/28/69/458612869.db2.gz VZXLDAUJNIDVOA-KGLIPLIRSA-N 0 0 347.415 3.197 10 5 EGBERN COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000431800113 458627036 /nfs/dbraw/zinc/62/70/36/458627036.db2.gz KHSWWWQZBLDDMG-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN CCc1ncc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000456480343 458690381 /nfs/dbraw/zinc/69/03/81/458690381.db2.gz BNASQTXXOZCPIB-UHFFFAOYSA-N 0 0 343.261 3.094 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2ccc3c(c2)OCCO3)c2cccnc21 ZINC000471893688 458749019 /nfs/dbraw/zinc/74/90/19/458749019.db2.gz UDQYYPWZDKTSQC-UHFFFAOYSA-N 0 0 338.319 3.493 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC(c2ccccc2F)C1 ZINC000464389910 458750057 /nfs/dbraw/zinc/75/00/57/458750057.db2.gz NPILHYKTTJVDKQ-UHFFFAOYSA-N 0 0 343.358 3.085 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000456688420 458751190 /nfs/dbraw/zinc/75/11/90/458751190.db2.gz GWJQOGKWXBSHPO-GOSISDBHSA-N 0 0 332.400 3.361 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424881955 458756287 /nfs/dbraw/zinc/75/62/87/458756287.db2.gz UTFYFBZXZADUFB-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000531628798 458948394 /nfs/dbraw/zinc/94/83/94/458948394.db2.gz JISGXOOJGKLRKI-SNVBAGLBSA-N 0 0 334.401 3.150 10 5 EGBERN C[C@@H]1COc2ccccc2N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577096113 458979196 /nfs/dbraw/zinc/97/91/96/458979196.db2.gz JHFSQOCQEDVWEG-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN C[C@H]1COc2ccccc2N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577096112 458979599 /nfs/dbraw/zinc/97/95/99/458979599.db2.gz JHFSQOCQEDVWEG-JTQLQIEISA-N 0 0 348.305 3.230 10 5 EGBERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392737 459078833 /nfs/dbraw/zinc/07/88/33/459078833.db2.gz KBZXPPIGUWGZPO-CYBMUJFWSA-N 0 0 325.368 3.431 10 5 EGBERN CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000532396052 459080222 /nfs/dbraw/zinc/08/02/22/459080222.db2.gz QSIBWQMLKCNTOZ-GJZGRUSLSA-N 0 0 335.404 3.046 10 5 EGBERN COc1ccc(CN(C)c2c(OC)cccc2[N+](=O)[O-])cc1OC ZINC000594540299 459084081 /nfs/dbraw/zinc/08/40/81/459084081.db2.gz AYRXITMIRMZLEH-UHFFFAOYSA-N 0 0 332.356 3.257 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000520827277 459098033 /nfs/dbraw/zinc/09/80/33/459098033.db2.gz SRZYRYHNQQQYQI-GDNZZTSVSA-N 0 0 325.162 3.342 10 5 EGBERN Cc1cc(N2CC3(CC3(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594590392 459100550 /nfs/dbraw/zinc/10/05/50/459100550.db2.gz YUHCIUOPKLTXNA-UHFFFAOYSA-N 0 0 332.310 3.206 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CC3)[C@@H]3CCCCO3)cc2N1 ZINC000594589987 459101237 /nfs/dbraw/zinc/10/12/37/459101237.db2.gz HCHKTXKSHVRPPU-WMZOPIPTSA-N 0 0 345.399 3.239 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594591023 459101351 /nfs/dbraw/zinc/10/13/51/459101351.db2.gz IYNQWUNFMBOOBS-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H](OC3CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000594594003 459102209 /nfs/dbraw/zinc/10/22/09/459102209.db2.gz HMKXXRLYDAEBHH-HNNXBMFYSA-N 0 0 348.399 3.228 10 5 EGBERN C[N@H+](CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000577875067 459111435 /nfs/dbraw/zinc/11/14/35/459111435.db2.gz MHQGASQBFAGDLW-UHFFFAOYSA-N 0 0 335.404 3.360 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1C(F)(F)F ZINC000590380178 459122305 /nfs/dbraw/zinc/12/23/05/459122305.db2.gz YVMVTEGYNJOCST-LDYMZIIASA-N 0 0 334.319 3.239 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590445467 459132107 /nfs/dbraw/zinc/13/21/07/459132107.db2.gz SMWYDVWUSZRELK-UHFFFAOYSA-N 0 0 346.333 3.374 10 5 EGBERN Cc1ccc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000590556785 459148386 /nfs/dbraw/zinc/14/83/86/459148386.db2.gz LABRGUJIOKLRRT-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN Cn1c(-c2ccoc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000558432829 459159309 /nfs/dbraw/zinc/15/93/09/459159309.db2.gz KRHZFPMFIJLHHY-UHFFFAOYSA-N 0 0 339.355 3.152 10 5 EGBERN CO[C@@H](COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594893852 459169326 /nfs/dbraw/zinc/16/93/26/459169326.db2.gz LTTNYRVOMVIIKS-RNCFNFMXSA-N 0 0 335.278 3.044 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)cc(F)c1 ZINC000578362704 459188695 /nfs/dbraw/zinc/18/86/95/459188695.db2.gz YVHUXNSWIUMGOB-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000558690079 459198056 /nfs/dbraw/zinc/19/80/56/459198056.db2.gz DVFIWZKUIQLEOM-UHFFFAOYSA-N 0 0 346.352 3.060 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578573302 459223273 /nfs/dbraw/zinc/22/32/73/459223273.db2.gz SCYKIJTVCQBCMZ-OCCSQVGLSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1cc(NCC[N@@H+](C)C2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568094610 459227265 /nfs/dbraw/zinc/22/72/65/459227265.db2.gz JUKUSURSDXVHEM-UHFFFAOYSA-N 0 0 335.404 3.278 10 5 EGBERN CCc1nn(C)c(N2CC[C@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000481099246 459233498 /nfs/dbraw/zinc/23/34/98/459233498.db2.gz CDYIUMVPJMGUET-KRWDZBQOSA-N 0 0 332.379 3.198 10 5 EGBERN CCOc1ccc([C@@H](C)NCc2nccc(OC)c2F)cc1[N+](=O)[O-] ZINC000595080401 459239845 /nfs/dbraw/zinc/23/98/45/459239845.db2.gz LSTAZJZDEAKBCC-LLVKDONJSA-N 0 0 349.362 3.387 10 5 EGBERN Cc1ccc(C)c(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c1 ZINC000559254083 459244547 /nfs/dbraw/zinc/24/45/47/459244547.db2.gz LSDSLZRUAOMGNL-UHFFFAOYSA-N 0 0 338.367 3.497 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000595107851 459246543 /nfs/dbraw/zinc/24/65/43/459246543.db2.gz GPRDFOVNPNUHQS-GFCCVEGCSA-N 0 0 335.404 3.091 10 5 EGBERN CC(C)(C)OCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000580032062 459254891 /nfs/dbraw/zinc/25/48/91/459254891.db2.gz VJOXTMQASCDMIK-UHFFFAOYSA-N 0 0 338.407 3.226 10 5 EGBERN O=C(NC1CCC(OC(F)F)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000590883855 459257702 /nfs/dbraw/zinc/25/77/02/459257702.db2.gz FJJXDOVLQXHQNY-UHFFFAOYSA-N 0 0 332.278 3.014 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)Cc2onc(C)c2[N+](=O)[O-])cs1 ZINC000595324622 459275835 /nfs/dbraw/zinc/27/58/35/459275835.db2.gz DQHWMDWVDRCOQF-JTQLQIEISA-N 0 0 340.405 3.077 10 5 EGBERN CCO[C@H](C)c1nc(CN(C)Cc2onc(C)c2[N+](=O)[O-])cs1 ZINC000595324623 459276656 /nfs/dbraw/zinc/27/66/56/459276656.db2.gz DQHWMDWVDRCOQF-SNVBAGLBSA-N 0 0 340.405 3.077 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nsc3ccccc13)CC2 ZINC000595424490 459297382 /nfs/dbraw/zinc/29/73/82/459297382.db2.gz NHEFIKQIFBMGNF-UHFFFAOYSA-N 0 0 326.381 3.158 10 5 EGBERN C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595478560 459317778 /nfs/dbraw/zinc/31/77/78/459317778.db2.gz AIAIXNWAGJPUBB-ZIAGYGMSSA-N 0 0 347.415 3.399 10 5 EGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCOC2(CCC2)C1 ZINC000582209072 459326373 /nfs/dbraw/zinc/32/63/73/459326373.db2.gz ZTNBAIKGHWDYKY-UHFFFAOYSA-N 0 0 344.289 3.009 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000582247341 459334028 /nfs/dbraw/zinc/33/40/28/459334028.db2.gz NZDDNBAYYCPOMV-ZANVPECISA-N 0 0 348.321 3.141 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595545110 459341302 /nfs/dbraw/zinc/34/13/02/459341302.db2.gz OAYWSAQDAKMLJT-KGLIPLIRSA-N 0 0 347.415 3.317 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595546739 459342657 /nfs/dbraw/zinc/34/26/57/459342657.db2.gz QODYOTLMSFTAOP-DOPJRALCSA-N 0 0 347.415 3.032 10 5 EGBERN CC(C)(CC(F)F)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000560747577 459393508 /nfs/dbraw/zinc/39/35/08/459393508.db2.gz WMXCIPOQWBSORU-UHFFFAOYSA-N 0 0 339.342 3.416 10 5 EGBERN CC(C)(C)OCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000525196382 459426139 /nfs/dbraw/zinc/42/61/39/459426139.db2.gz AMRGJBJSAANRJZ-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](CCF)C3)n2)c1 ZINC000595755549 459426636 /nfs/dbraw/zinc/42/66/36/459426636.db2.gz NUGSEWYXTWKZSK-LBPRGKRZSA-N 0 0 334.351 3.216 10 5 EGBERN CC(=O)c1ccc(Nc2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])c1 ZINC000541332523 459445220 /nfs/dbraw/zinc/44/52/20/459445220.db2.gz XTBQZXNDRMCRCE-LLVKDONJSA-N 0 0 328.372 3.439 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N(C)Cc1cnn(-c2ccccc2)c1 ZINC000561880235 459489353 /nfs/dbraw/zinc/48/93/53/459489353.db2.gz CYAFHKKKWOIHCE-UHFFFAOYSA-N 0 0 338.367 3.426 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](Cc3ccncc3)C1)CCCC2 ZINC000591929446 459489497 /nfs/dbraw/zinc/48/94/97/459489497.db2.gz OPYGKMOXPMDBNN-OAHLLOKOSA-N 0 0 338.411 3.333 10 5 EGBERN CCc1nn(C)c(NCC[C@@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000591965308 459499356 /nfs/dbraw/zinc/49/93/56/459499356.db2.gz FFIWHCLSBZQPNU-LLVKDONJSA-N 0 0 348.428 3.246 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2F)[C@@H]1SC ZINC000591990758 459507248 /nfs/dbraw/zinc/50/72/48/459507248.db2.gz MEFDXOXCFHICOD-HONMWMINSA-N 0 0 330.381 3.063 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCC(F)CC2)s1 ZINC000591995459 459508328 /nfs/dbraw/zinc/50/83/28/459508328.db2.gz WDIMEXRPSXZJQD-UHFFFAOYSA-N 0 0 336.410 3.000 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](n3cc(Cl)cn3)C1)CCCC2 ZINC000583259499 459510364 /nfs/dbraw/zinc/51/03/64/459510364.db2.gz GKWYBSFJQLZTLX-ZDUSSCGKSA-N 0 0 347.806 3.170 10 5 EGBERN COc1cc(N2CCC[C@H](c3cc[nH]n3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596081583 459512682 /nfs/dbraw/zinc/51/26/82/459512682.db2.gz AMQYCFCIUZMZOK-JTQLQIEISA-N 0 0 336.779 3.364 10 5 EGBERN COC(=O)CCCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596092419 459517303 /nfs/dbraw/zinc/51/73/03/459517303.db2.gz ATUJGCOHJZEKSR-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@H]2O)c1 ZINC000542043565 459523132 /nfs/dbraw/zinc/52/31/32/459523132.db2.gz KCNOYKKNQJBTID-MLGOLLRUSA-N 0 0 336.388 3.125 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCC(F)CC1 ZINC000592114618 459527172 /nfs/dbraw/zinc/52/71/72/459527172.db2.gz YJQKUGCTWGPNLL-UHFFFAOYSA-N 0 0 337.395 3.307 10 5 EGBERN Cc1cc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000592130736 459530673 /nfs/dbraw/zinc/53/06/73/459530673.db2.gz LKNYWWGYHLVTCK-WKILWMFISA-N 0 0 345.399 3.197 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596191253 459555454 /nfs/dbraw/zinc/55/54/54/459555454.db2.gz MHEHZUGXQIKNAK-CLAHSXSESA-N 0 0 328.752 3.014 10 5 EGBERN Cc1ccc(O)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000583537687 459555585 /nfs/dbraw/zinc/55/55/85/459555585.db2.gz YHICNVQWDFOYEO-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000562402880 459555698 /nfs/dbraw/zinc/55/56/98/459555698.db2.gz DFXKBONBTGBOIW-CYBMUJFWSA-N 0 0 344.367 3.017 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C(C)C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000596208635 459560970 /nfs/dbraw/zinc/56/09/70/459560970.db2.gz UFCHJNNSZNSXGU-ZDUSSCGKSA-N 0 0 344.795 3.242 10 5 EGBERN NC(=O)c1cc(NCC2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596228193 459568311 /nfs/dbraw/zinc/56/83/11/459568311.db2.gz ZAAXIEQEOSWEHY-UHFFFAOYSA-N 0 0 325.368 3.299 10 5 EGBERN O=[N+]([O-])c1ccc(OCCO[C@@H]2CC2(F)F)c(Br)c1 ZINC000596258267 459576816 /nfs/dbraw/zinc/57/68/16/459576816.db2.gz HTPLHQZPYAFYIR-SNVBAGLBSA-N 0 0 338.104 3.160 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@]2(CCOC2)C1 ZINC000596261088 459577987 /nfs/dbraw/zinc/57/79/87/459577987.db2.gz NBCWDRNCTHSYAR-CQSZACIVSA-N 0 0 341.205 3.364 10 5 EGBERN CCC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)OC ZINC000596259795 459578146 /nfs/dbraw/zinc/57/81/46/459578146.db2.gz XPFAYFSOVKDIAL-VIFPVBQESA-N 0 0 330.768 3.262 10 5 EGBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289156 459586057 /nfs/dbraw/zinc/58/60/57/459586057.db2.gz WHGTZGBGAYLCNP-IUODEOHRSA-N 0 0 331.416 3.346 10 5 EGBERN COc1cc(NCc2ccc(CNC(C)=O)cc2)c([N+](=O)[O-])cc1C ZINC000596318963 459595377 /nfs/dbraw/zinc/59/53/77/459595377.db2.gz RFTRQMOYQJAXSZ-UHFFFAOYSA-N 0 0 343.383 3.160 10 5 EGBERN COC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCOCC1 ZINC000596330761 459598511 /nfs/dbraw/zinc/59/85/11/459598511.db2.gz UKMVQMNAMGAHPL-LBPRGKRZSA-N 0 0 346.330 3.050 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596365891 459609673 /nfs/dbraw/zinc/60/96/73/459609673.db2.gz LHBWQYDPZDEUTF-BNJANLQDSA-N 0 0 346.836 3.358 10 5 EGBERN CCc1nn(C)c(Oc2cnc3c(cccc3OC)c2)c1[N+](=O)[O-] ZINC000596438273 459635257 /nfs/dbraw/zinc/63/52/57/459635257.db2.gz RCZSUQYOMQJNTG-UHFFFAOYSA-N 0 0 328.328 3.240 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC2(CCC2)OC[C@@H]1C ZINC000596439264 459636644 /nfs/dbraw/zinc/63/66/44/459636644.db2.gz CEVHFHRNQGBNND-LBPRGKRZSA-N 0 0 343.383 3.299 10 5 EGBERN COCC1(C2CCC2)CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596440500 459636723 /nfs/dbraw/zinc/63/67/23/459636723.db2.gz MBUTUTLNWUSEJH-UHFFFAOYSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000596441505 459638232 /nfs/dbraw/zinc/63/82/32/459638232.db2.gz HMCOLPCUVPFYNZ-OKILXGFUSA-N 0 0 341.205 3.220 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000584064614 459646122 /nfs/dbraw/zinc/64/61/22/459646122.db2.gz IHTAIQTWNGUSRG-UHFFFAOYSA-N 0 0 347.415 3.136 10 5 EGBERN Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596469678 459647053 /nfs/dbraw/zinc/64/70/53/459647053.db2.gz OKQUNKZJAOBCHS-MSRIBSCDSA-N 0 0 332.322 3.375 10 5 EGBERN Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596481668 459651456 /nfs/dbraw/zinc/65/14/56/459651456.db2.gz ZWUYMSLTUONYJR-IINYFYTJSA-N 0 0 330.306 3.395 10 5 EGBERN COC(=O)C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000596490210 459655186 /nfs/dbraw/zinc/65/51/86/459655186.db2.gz IANCMBCWGCYNPP-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC(O)(C1CC1)C1CC1 ZINC000596493717 459656045 /nfs/dbraw/zinc/65/60/45/459656045.db2.gz PHPMXGVTFFMONA-UHFFFAOYSA-N 0 0 341.205 3.320 10 5 EGBERN Cc1cc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)ccc1C(N)=O ZINC000596489839 459655520 /nfs/dbraw/zinc/65/55/20/459655520.db2.gz VABNOCLOOKTXLB-UHFFFAOYSA-N 0 0 327.340 3.068 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000596495281 459656281 /nfs/dbraw/zinc/65/62/81/459656281.db2.gz SLHQJGXVOBKVOP-LSDHHAIUSA-N 0 0 347.415 3.232 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000596498567 459657048 /nfs/dbraw/zinc/65/70/48/459657048.db2.gz FMYJVLNITJOFOH-RMLUDKJBSA-N 0 0 347.293 3.010 10 5 EGBERN COCC1(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000584110129 459657554 /nfs/dbraw/zinc/65/75/54/459657554.db2.gz QNVLKDUINNJGNI-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN CCOC(=O)c1cc(N2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000596532062 459669187 /nfs/dbraw/zinc/66/91/87/459669187.db2.gz YKFLGAZFXIDEKD-UHFFFAOYSA-N 0 0 345.355 3.144 10 5 EGBERN CC1(C)OCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596544726 459672106 /nfs/dbraw/zinc/67/21/06/459672106.db2.gz PHBHPUGQFJXZDN-ZDUSSCGKSA-N 0 0 347.415 3.058 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000596553363 459674308 /nfs/dbraw/zinc/67/43/08/459674308.db2.gz FIYPNDQRKHJFIF-NXEZZACHSA-N 0 0 334.294 3.150 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592732620 459677978 /nfs/dbraw/zinc/67/79/78/459677978.db2.gz ATUMLDYQKSMUMQ-GMXVVIOVSA-N 0 0 338.791 3.322 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@](C)(C(F)F)O1 ZINC000596572290 459681429 /nfs/dbraw/zinc/68/14/29/459681429.db2.gz DXKIKQGFSURUSP-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572325 459681540 /nfs/dbraw/zinc/68/15/40/459681540.db2.gz LFIOWTLNEFXQBA-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000543675613 459682068 /nfs/dbraw/zinc/68/20/68/459682068.db2.gz OCQWFIPAWBWKBT-OKILXGFUSA-N 0 0 338.429 3.022 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)CC(F)(F)F ZINC000596586727 459686418 /nfs/dbraw/zinc/68/64/18/459686418.db2.gz WVTNYCVQOAQLBO-UHFFFAOYSA-N 0 0 333.310 3.345 10 5 EGBERN Cc1cc(Cc2noc(C[C@H](C)[C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596589388 459686643 /nfs/dbraw/zinc/68/66/43/459686643.db2.gz DGJVIYAWNRGGDQ-WFASDCNBSA-N 0 0 331.372 3.235 10 5 EGBERN CO[C@@H]1CC[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000596591958 459688757 /nfs/dbraw/zinc/68/87/57/459688757.db2.gz QTLZVZZQUKKTBS-ZWNOBZJWSA-N 0 0 342.355 3.332 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCC3(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000596596826 459691490 /nfs/dbraw/zinc/69/14/90/459691490.db2.gz GGOLYSFLTILTCE-LBPRGKRZSA-N 0 0 347.371 3.489 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592856656 459704275 /nfs/dbraw/zinc/70/42/75/459704275.db2.gz UZNBSRZSPCEORP-CRAIPNDOSA-N 0 0 336.432 3.221 10 5 EGBERN C[C@H]1CC2(CN1C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CCOCC2 ZINC000592895682 459714272 /nfs/dbraw/zinc/71/42/72/459714272.db2.gz VPKCBTQPJOWQNV-LBPRGKRZSA-N 0 0 343.383 3.107 10 5 EGBERN O=C(NC1(c2cccc(Cl)c2)CCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000592894467 459714977 /nfs/dbraw/zinc/71/49/77/459714977.db2.gz MLCJRXSPLRZLFG-UHFFFAOYSA-N 0 0 347.758 3.158 10 5 EGBERN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC2(CCCC2)O1 ZINC000592904340 459718223 /nfs/dbraw/zinc/71/82/23/459718223.db2.gz PBNGKSQLDKCGGC-GFCCVEGCSA-N 0 0 343.383 3.250 10 5 EGBERN O=c1[nH]cnc2cc(NC[C@H]3CC34CCSCC4)c([N+](=O)[O-])cc21 ZINC000573791802 459735691 /nfs/dbraw/zinc/73/56/91/459735691.db2.gz VLJICWHXQYEKAQ-SNVBAGLBSA-N 0 0 346.412 3.189 10 5 EGBERN COCCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593030523 459745871 /nfs/dbraw/zinc/74/58/71/459745871.db2.gz PRUOJAGFFYWNPF-UHFFFAOYSA-N 0 0 344.367 3.034 10 5 EGBERN CC(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC000584480974 459751451 /nfs/dbraw/zinc/75/14/51/459751451.db2.gz UXZKCVHABWOIPB-MRXNPFEDSA-N 0 0 343.383 3.419 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H](C)C(C)C)c1 ZINC000593069481 459762901 /nfs/dbraw/zinc/76/29/01/459762901.db2.gz SSGRFYIJPBKBQY-ZDUSSCGKSA-N 0 0 344.415 3.170 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000596823484 459771341 /nfs/dbraw/zinc/77/13/41/459771341.db2.gz QALQNNJZRGNQLO-GUYCJALGSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000544610177 459772471 /nfs/dbraw/zinc/77/24/71/459772471.db2.gz ZAODAOUAOXFDRL-IBGZPJMESA-N 0 0 326.396 3.347 10 5 EGBERN CC(C)(NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596878393 459785304 /nfs/dbraw/zinc/78/53/04/459785304.db2.gz AIENTGCGFLUBLY-LBPRGKRZSA-N 0 0 341.358 3.420 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000593142717 459786383 /nfs/dbraw/zinc/78/63/83/459786383.db2.gz XODDAOJQNUUCSX-ZIAGYGMSSA-N 0 0 346.383 3.455 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000596900873 459790193 /nfs/dbraw/zinc/79/01/93/459790193.db2.gz ZOOJCKOINRAWKV-RKDXNWHRSA-N 0 0 340.177 3.231 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000593172294 459795638 /nfs/dbraw/zinc/79/56/38/459795638.db2.gz PKVMLTMJOBIFMJ-UHFFFAOYSA-N 0 0 330.306 3.217 10 5 EGBERN COc1cccc(C(=O)N(CC(C)C)c2ccc(F)cn2)c1[N+](=O)[O-] ZINC000593184702 459800568 /nfs/dbraw/zinc/80/05/68/459800568.db2.gz VBMYHIRGKQRRCV-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593243605 459818837 /nfs/dbraw/zinc/81/88/37/459818837.db2.gz YGQBZVGLHWGNPC-UHFFFAOYSA-N 0 0 328.328 3.218 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000585090369 459821996 /nfs/dbraw/zinc/82/19/96/459821996.db2.gz FQNAKKJUYJKTTE-ULQDDVLXSA-N 0 0 325.368 3.489 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000574533625 459831107 /nfs/dbraw/zinc/83/11/07/459831107.db2.gz RKBVSWTXETWRRJ-NWDGAFQWSA-N 0 0 334.372 3.017 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593291170 459831780 /nfs/dbraw/zinc/83/17/80/459831780.db2.gz CRNJOTPEHRANML-NSHDSACASA-N 0 0 345.786 3.445 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597089408 459834754 /nfs/dbraw/zinc/83/47/54/459834754.db2.gz AOUIJLHXYWJLKM-APHBMKBZSA-N 0 0 340.383 3.464 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000597092340 459835452 /nfs/dbraw/zinc/83/54/52/459835452.db2.gz LTIPIGOSFLDPSD-RKDXNWHRSA-N 0 0 326.784 3.483 10 5 EGBERN COC(=O)c1cc(C)nc(N2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000585702207 459835636 /nfs/dbraw/zinc/83/56/36/459835636.db2.gz RFTJTBAULDIOOD-NSHDSACASA-N 0 0 327.340 3.168 10 5 EGBERN CCSCC[C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097285 459836092 /nfs/dbraw/zinc/83/60/92/459836092.db2.gz GEKOXURIMMFSMI-QMMMGPOBSA-N 0 0 346.840 3.484 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1-c1nc(CSc2ccc(F)cc2)no1 ZINC000545522835 459837606 /nfs/dbraw/zinc/83/76/06/459837606.db2.gz ZYRXBHXSAXSVHQ-UHFFFAOYSA-N 0 0 334.332 3.415 10 5 EGBERN CCCC[C@@H](COC)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104574 459837715 /nfs/dbraw/zinc/83/77/15/459837715.db2.gz RNAJENPXMLWQAU-JTQLQIEISA-N 0 0 344.799 3.157 10 5 EGBERN C[C@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593314010 459837893 /nfs/dbraw/zinc/83/78/93/459837893.db2.gz DNCIKCICRWMCRM-HZMBPMFUSA-N 0 0 325.315 3.097 10 5 EGBERN CCc1nnc(CNc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000585728987 459838503 /nfs/dbraw/zinc/83/85/03/459838503.db2.gz MONUCUSODUZXDP-UHFFFAOYSA-N 0 0 343.206 3.383 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000585740293 459838892 /nfs/dbraw/zinc/83/88/92/459838892.db2.gz XPKHBOCZGQXAQO-UHFFFAOYSA-N 0 0 334.397 3.151 10 5 EGBERN C[C@@H](C(=O)N1C[C@H](C)OCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000593318148 459839603 /nfs/dbraw/zinc/83/96/03/459839603.db2.gz ABHSOHXPZNVYIK-NWDGAFQWSA-N 0 0 336.363 3.007 10 5 EGBERN CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000598251738 459840809 /nfs/dbraw/zinc/84/08/09/459840809.db2.gz VYCYCWSGXUJTEC-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN CCOc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])nc1C ZINC000597126266 459843335 /nfs/dbraw/zinc/84/33/35/459843335.db2.gz ITCKIIVQLRBAEJ-UHFFFAOYSA-N 0 0 330.344 3.019 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593328071 459845530 /nfs/dbraw/zinc/84/55/30/459845530.db2.gz SXVFVDRRQFCSPK-ZDUSSCGKSA-N 0 0 342.370 3.465 10 5 EGBERN COc1cccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593327649 459845664 /nfs/dbraw/zinc/84/56/64/459845664.db2.gz RPRLDSFUVMMXOC-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598353481 459877112 /nfs/dbraw/zinc/87/71/12/459877112.db2.gz TVSBDLYHJFIARW-OALUTQOASA-N 0 0 342.395 3.012 10 5 EGBERN COc1cc(C[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000597212636 459879002 /nfs/dbraw/zinc/87/90/02/459879002.db2.gz WEJRKADFEXNGOK-GFCCVEGCSA-N 0 0 326.368 3.184 10 5 EGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000608781442 459881366 /nfs/dbraw/zinc/88/13/66/459881366.db2.gz RLPHRLKILOFIFA-NSHDSACASA-N 0 0 332.447 3.294 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000608875474 459892157 /nfs/dbraw/zinc/89/21/57/459892157.db2.gz OQKVEFVMXFOJQU-JTQLQIEISA-N 0 0 344.323 3.283 10 5 EGBERN Nc1cc(N(Cc2ccc(F)cc2F)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000587344519 459892180 /nfs/dbraw/zinc/89/21/80/459892180.db2.gz PCVJANGQCZYQEP-UHFFFAOYSA-N 0 0 349.337 3.117 10 5 EGBERN Nc1cc(NCC2(c3ccc(F)cc3)CCC2)cc(CO)c1[N+](=O)[O-] ZINC000587630613 459893092 /nfs/dbraw/zinc/89/30/92/459893092.db2.gz UZDOQSJRWKCJOZ-UHFFFAOYSA-N 0 0 345.374 3.342 10 5 EGBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C(F)(F)F)O1 ZINC000593465423 459897744 /nfs/dbraw/zinc/89/77/44/459897744.db2.gz PAYXYDUPBAXVTP-XPTSAGLGSA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCOC2(CCOCC2)C1 ZINC000593467403 459898135 /nfs/dbraw/zinc/89/81/35/459898135.db2.gz PXJZGNKSHLKCLN-ZDUSSCGKSA-N 0 0 343.383 3.283 10 5 EGBERN Nc1cc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587982210 459898229 /nfs/dbraw/zinc/89/82/29/459898229.db2.gz URLCXHWXZVSNLM-RDTXWAMCSA-N 0 0 341.411 3.493 10 5 EGBERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587982189 459898285 /nfs/dbraw/zinc/89/82/85/459898285.db2.gz PERNTVVIHCXCJW-WCQYABFASA-N 0 0 345.374 3.191 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000587994139 459899651 /nfs/dbraw/zinc/89/96/51/459899651.db2.gz YTVUOQGQTJKIME-DDBGAENHSA-N 0 0 343.383 3.034 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCOC[C@H](C2CCC2)C1 ZINC000593472108 459899811 /nfs/dbraw/zinc/89/98/11/459899811.db2.gz GETOCTHJQFNLTI-CQSZACIVSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000598439702 459899896 /nfs/dbraw/zinc/89/98/96/459899896.db2.gz SZSZCNJTWLIHID-NSHDSACASA-N 0 0 334.372 3.270 10 5 EGBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC000597277562 459902940 /nfs/dbraw/zinc/90/29/40/459902940.db2.gz CQFFWXHEKVJIFJ-OAHLLOKOSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588018538 459903557 /nfs/dbraw/zinc/90/35/57/459903557.db2.gz GUACNPWTHCIWPY-SNVBAGLBSA-N 0 0 347.419 3.102 10 5 EGBERN Cc1nn(CCC(=O)N2CCCC[C@H]2CC2CCC2)c(C)c1[N+](=O)[O-] ZINC000598462861 459903824 /nfs/dbraw/zinc/90/38/24/459903824.db2.gz SCEVBNUXRDKFEH-INIZCTEOSA-N 0 0 348.447 3.370 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H](OC(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000593487543 459904360 /nfs/dbraw/zinc/90/43/60/459904360.db2.gz REEGRESGFCIJRW-AWEZNQCLSA-N 0 0 336.388 3.084 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000609127563 459906754 /nfs/dbraw/zinc/90/67/54/459906754.db2.gz GUYZVRAKBPSWIL-UHFFFAOYSA-N 0 0 335.791 3.338 10 5 EGBERN CCON1CCC(CC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000597347217 459924838 /nfs/dbraw/zinc/92/48/38/459924838.db2.gz BNLICFAXZNDSJB-KRWDZBQOSA-N 0 0 349.431 3.216 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588180320 459927917 /nfs/dbraw/zinc/92/79/17/459927917.db2.gz SBLWSFBJWNVOHM-ZDUSSCGKSA-N 0 0 325.315 3.087 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000598540951 459933456 /nfs/dbraw/zinc/93/34/56/459933456.db2.gz UPDCWENGESKFMI-WMLDXEAASA-N 0 0 342.395 3.372 10 5 EGBERN COCC1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCCC1 ZINC000598553761 459934885 /nfs/dbraw/zinc/93/48/85/459934885.db2.gz BTZNAWXMESJGPJ-UHFFFAOYSA-N 0 0 331.372 3.155 10 5 EGBERN COCC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000598554836 459936316 /nfs/dbraw/zinc/93/63/16/459936316.db2.gz NRJLSHNWEUEHAN-UHFFFAOYSA-N 0 0 347.415 3.248 10 5 EGBERN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598565290 459938645 /nfs/dbraw/zinc/93/86/45/459938645.db2.gz PXSORZCBBBPYHY-RMLUDKJBSA-N 0 0 348.733 3.133 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598567127 459939720 /nfs/dbraw/zinc/93/97/20/459939720.db2.gz ASUNTVOUQQWCHV-RMLUDKJBSA-N 0 0 348.733 3.133 10 5 EGBERN CCc1ccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598566676 459939961 /nfs/dbraw/zinc/93/99/61/459939961.db2.gz YQHSTRWFNLHUPZ-QFYYESIMSA-N 0 0 342.342 3.042 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598567128 459940144 /nfs/dbraw/zinc/94/01/44/459940144.db2.gz ASUNTVOUQQWCHV-RTHLEPHNSA-N 0 0 348.733 3.133 10 5 EGBERN CC[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597406354 459941287 /nfs/dbraw/zinc/94/12/87/459941287.db2.gz HYHBPGBJGWVSCV-CYBMUJFWSA-N 0 0 341.415 3.500 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)[C@H]1C ZINC000597406150 459941541 /nfs/dbraw/zinc/94/15/41/459941541.db2.gz AUYZBJSVTLVIRT-OLZOCXBDSA-N 0 0 341.415 3.498 10 5 EGBERN C[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597410734 459945118 /nfs/dbraw/zinc/94/51/18/459945118.db2.gz ZYNYPZBYFVBUAB-LBPRGKRZSA-N 0 0 327.388 3.252 10 5 EGBERN COc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000598583351 459952441 /nfs/dbraw/zinc/95/24/41/459952441.db2.gz XLCDZQORWJJVRQ-UHFFFAOYSA-N 0 0 334.294 3.312 10 5 EGBERN CCS[C@H]1CCC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598602543 459960664 /nfs/dbraw/zinc/96/06/64/459960664.db2.gz SYFXUBFHTSIJKW-QWRGUYRKSA-N 0 0 339.417 3.253 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000597468695 459964475 /nfs/dbraw/zinc/96/44/75/459964475.db2.gz SCLMSQKGALLZAB-CQSZACIVSA-N 0 0 342.399 3.242 10 5 EGBERN CCS[C@@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000613921715 459967314 /nfs/dbraw/zinc/96/73/14/459967314.db2.gz BWBJDYSBCHNNRO-UONOGXRCSA-N 0 0 325.434 3.146 10 5 EGBERN CC(C)N(CCc1nccs1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000618343503 459974379 /nfs/dbraw/zinc/97/43/79/459974379.db2.gz AGTXURGTJQGNQJ-UHFFFAOYSA-N 0 0 343.412 3.452 10 5 EGBERN Cc1nccn1[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000609560856 459981993 /nfs/dbraw/zinc/98/19/93/459981993.db2.gz LRWIOBLBPZNPLH-CQSZACIVSA-N 0 0 337.383 3.489 10 5 EGBERN COCC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCCCC1 ZINC000598682133 459991277 /nfs/dbraw/zinc/99/12/77/459991277.db2.gz MBARZSNAASASDR-UHFFFAOYSA-N 0 0 331.372 3.417 10 5 EGBERN Cc1noc(COc2ccc(Oc3cccnc3[N+](=O)[O-])cc2)n1 ZINC000609670930 460006322 /nfs/dbraw/zinc/00/63/22/460006322.db2.gz XROOISFWBHZAQZ-UHFFFAOYSA-N 0 0 328.284 3.053 10 5 EGBERN Cc1cccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000609675815 460007641 /nfs/dbraw/zinc/00/76/41/460007641.db2.gz BALBNOBPLHDQPG-NSHDSACASA-N 0 0 340.426 3.313 10 5 EGBERN CCN(C[C@@H]1CCOC1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000618445598 460012837 /nfs/dbraw/zinc/01/28/37/460012837.db2.gz DKRZLKQRRPQXOJ-NSHDSACASA-N 0 0 326.780 3.055 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1OCc2ccccc21 ZINC000593960433 460029057 /nfs/dbraw/zinc/02/90/57/460029057.db2.gz ZOXUMFAWFDGBQU-QGZVFWFLSA-N 0 0 326.352 3.215 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781322 460032467 /nfs/dbraw/zinc/03/24/67/460032467.db2.gz MENOTMGFYGVUEL-UHFFFAOYSA-N 0 0 339.189 3.229 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ccn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000593994657 460045185 /nfs/dbraw/zinc/04/51/85/460045185.db2.gz YPKKLZLJEJSDEB-LBPRGKRZSA-N 0 0 330.388 3.346 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000610006467 460050460 /nfs/dbraw/zinc/05/04/60/460050460.db2.gz BXWWQXYDRWMDIJ-NSHDSACASA-N 0 0 340.426 3.047 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594053983 460074880 /nfs/dbraw/zinc/07/48/80/460074880.db2.gz GADYLERIUYZQCY-NWDGAFQWSA-N 0 0 347.293 3.216 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000598882750 460082591 /nfs/dbraw/zinc/08/25/91/460082591.db2.gz JPSMUBMFNVNHII-AWEZNQCLSA-N 0 0 342.399 3.339 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594068789 460084654 /nfs/dbraw/zinc/08/46/54/460084654.db2.gz NNFADWCEIFDBAZ-NVXWUHKLSA-N 0 0 348.399 3.071 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594081567 460092872 /nfs/dbraw/zinc/09/28/72/460092872.db2.gz RFCITJLWZLTXJY-HOTGVXAUSA-N 0 0 349.387 3.073 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(c1c(Cl)cncc1[N+](=O)[O-])C2 ZINC000598932862 460094089 /nfs/dbraw/zinc/09/40/89/460094089.db2.gz ILFFFCVYTABTJX-UHFFFAOYSA-N 0 0 333.779 3.119 10 5 EGBERN COc1cccc(N2CCc3nc(C(C)C)ncc3C2)c1[N+](=O)[O-] ZINC000598933129 460094621 /nfs/dbraw/zinc/09/46/21/460094621.db2.gz MSBJAUJFRJFKAI-UHFFFAOYSA-N 0 0 328.372 3.080 10 5 EGBERN Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576230740 460097876 /nfs/dbraw/zinc/09/78/76/460097876.db2.gz MZVYVYACLQRBRB-UHFFFAOYSA-N 0 0 333.344 3.459 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598950401 460099368 /nfs/dbraw/zinc/09/93/68/460099368.db2.gz KYDSLBTVRQSAJS-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN CSc1cccc(C(=O)NC[C@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC000598949815 460099545 /nfs/dbraw/zinc/09/95/45/460099545.db2.gz DJTZGNAYOJIULK-GFCCVEGCSA-N 0 0 343.408 3.172 10 5 EGBERN C[C@]1(C2CC2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000597923467 460113632 /nfs/dbraw/zinc/11/36/32/460113632.db2.gz KZVPXAFVECQWMS-QGZVFWFLSA-N 0 0 346.408 3.451 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597925174 460114141 /nfs/dbraw/zinc/11/41/41/460114141.db2.gz SSMOYTGMACNUPM-DNVCBOLYSA-N 0 0 346.427 3.191 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594139918 460123595 /nfs/dbraw/zinc/12/35/95/460123595.db2.gz MTDWNYOAWBGVQQ-AULYBMBSSA-N 0 0 340.807 3.253 10 5 EGBERN Cc1sc(C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594159991 460132836 /nfs/dbraw/zinc/13/28/36/460132836.db2.gz NQDHPSZLHHJZPZ-NSHDSACASA-N 0 0 342.417 3.061 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164754 460135165 /nfs/dbraw/zinc/13/51/65/460135165.db2.gz LMLDSIVWFWEWIF-AAEUAGOBSA-N 0 0 346.305 3.133 10 5 EGBERN C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594211747 460154479 /nfs/dbraw/zinc/15/44/79/460154479.db2.gz OFSJXLHRFOXARL-AWEZNQCLSA-N 0 0 347.415 3.228 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598060328 460156778 /nfs/dbraw/zinc/15/67/78/460156778.db2.gz BPAYHRUQJOPFOF-UHFFFAOYSA-N 0 0 346.427 3.148 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2F)C(C)C)n1 ZINC000598068327 460158954 /nfs/dbraw/zinc/15/89/54/460158954.db2.gz MYUSVJGIALFGCR-CQSZACIVSA-N 0 0 334.351 3.077 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598068147 460159206 /nfs/dbraw/zinc/15/92/06/460159206.db2.gz SRMRZVPARDKJQD-CALCHBBNSA-N 0 0 346.408 3.308 10 5 EGBERN CC1(C)Cc2ccccc2N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000589923092 460160788 /nfs/dbraw/zinc/16/07/88/460160788.db2.gz AHWMAHNKJSMZJV-UHFFFAOYSA-N 0 0 346.408 3.372 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599115860 460164988 /nfs/dbraw/zinc/16/49/88/460164988.db2.gz GMKGKZFIAMXTNA-SECBINFHSA-N 0 0 335.673 3.055 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC000599120452 460167000 /nfs/dbraw/zinc/16/70/00/460167000.db2.gz BYLCMTYCYLXYES-UHFFFAOYSA-N 0 0 342.342 3.435 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594241635 460168135 /nfs/dbraw/zinc/16/81/35/460168135.db2.gz FKDPBQKRJPLUAR-SJORKVTESA-N 0 0 347.415 3.050 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000610516822 460173521 /nfs/dbraw/zinc/17/35/21/460173521.db2.gz AWZGNCGAKKJADP-CYBMUJFWSA-N 0 0 342.399 3.344 10 5 EGBERN CSc1ccc(C(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610526509 460176776 /nfs/dbraw/zinc/17/67/76/460176776.db2.gz NMPWRVUTBBDDBU-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CC(C)Oc1nc(N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000576598201 460177990 /nfs/dbraw/zinc/17/79/90/460177990.db2.gz HNLJAVMKDVWYQE-SMDDNHRTSA-N 0 0 327.331 3.259 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)C1=O ZINC000598114034 460178214 /nfs/dbraw/zinc/17/82/14/460178214.db2.gz PQAOYBRXYCJSAL-NXEZZACHSA-N 0 0 332.381 3.107 10 5 EGBERN CC[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594282729 460180168 /nfs/dbraw/zinc/18/01/68/460180168.db2.gz KWFWSQNUOQGSKO-HZPDHXFCSA-N 0 0 349.431 3.477 10 5 EGBERN Cc1cn2c(n1)C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3C)no1)CC2 ZINC000599166283 460182831 /nfs/dbraw/zinc/18/28/31/460182831.db2.gz YQKFDUPEDHKMCU-GFCCVEGCSA-N 0 0 339.355 3.188 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccsc1 ZINC000599165503 460183185 /nfs/dbraw/zinc/18/31/85/460183185.db2.gz SDFIQPCFTKTDOO-WCQYABFASA-N 0 0 338.410 3.028 10 5 EGBERN CCO[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000599165932 460183435 /nfs/dbraw/zinc/18/34/35/460183435.db2.gz WMHPEPLQTDVEIO-HNNXBMFYSA-N 0 0 344.371 3.491 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598138895 460187096 /nfs/dbraw/zinc/18/70/96/460187096.db2.gz LARKIELGEBUBPF-CQSZACIVSA-N 0 0 348.380 3.243 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCc4ccc(Cl)cc43)nn21 ZINC000599174487 460187647 /nfs/dbraw/zinc/18/76/47/460187647.db2.gz QNAQDTBSKVBHRD-ZDUSSCGKSA-N 0 0 343.774 3.202 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599182960 460191179 /nfs/dbraw/zinc/19/11/79/460191179.db2.gz SDBIMVNZEKMMKP-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CO[C@H](C4CC4)C3)n2)cc1 ZINC000599182273 460191208 /nfs/dbraw/zinc/19/12/08/460191208.db2.gz XOHUAVLQCBXHHG-DOMZBBRYSA-N 0 0 331.397 3.120 10 5 EGBERN CCc1nn(C)c(Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1[N+](=O)[O-] ZINC000599182575 460191697 /nfs/dbraw/zinc/19/16/97/460191697.db2.gz NWBIBOHELCFZHF-SNVBAGLBSA-N 0 0 343.387 3.104 10 5 EGBERN O=[N+]([O-])c1cccc(CCc2nc(-c3coc(C4CC4)n3)no2)c1 ZINC000599187135 460192775 /nfs/dbraw/zinc/19/27/75/460192775.db2.gz INCLHLKNPNJVKW-UHFFFAOYSA-N 0 0 326.312 3.295 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000599189963 460193713 /nfs/dbraw/zinc/19/37/13/460193713.db2.gz ZCBLQNMWOWZRPP-USXIJHARSA-N 0 0 342.782 3.450 10 5 EGBERN COC[C@]1(C)CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000599202217 460198326 /nfs/dbraw/zinc/19/83/26/460198326.db2.gz NYGKNSWVBHQQSI-AWEZNQCLSA-N 0 0 348.321 3.164 10 5 EGBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CC2)CC1 ZINC000599207925 460199429 /nfs/dbraw/zinc/19/94/29/460199429.db2.gz WWTXSLBPROMBLA-UHFFFAOYSA-N 0 0 327.388 3.161 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598208597 460204467 /nfs/dbraw/zinc/20/44/67/460204467.db2.gz ORTVECVUCVTHQY-ZMLRMANQSA-N 0 0 340.326 3.362 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000598215714 460207526 /nfs/dbraw/zinc/20/75/26/460207526.db2.gz XZHMAXRYQNHZMX-AAEUAGOBSA-N 0 0 338.379 3.085 10 5 EGBERN CC(C)(C(=O)NC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598216829 460208366 /nfs/dbraw/zinc/20/83/66/460208366.db2.gz QTEBHADENIVDOB-CQSZACIVSA-N 0 0 330.306 3.173 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000598218168 460208736 /nfs/dbraw/zinc/20/87/36/460208736.db2.gz ZWHFUASNJFAWKK-JSGCOSHPSA-N 0 0 336.388 3.069 10 5 EGBERN C[C@H](C(=O)NCC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598217993 460208960 /nfs/dbraw/zinc/20/89/60/460208960.db2.gz FTKDLJGNYREXCI-LKFCYVNXSA-N 0 0 330.306 3.389 10 5 EGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594423131 460214871 /nfs/dbraw/zinc/21/48/71/460214871.db2.gz YDCUTJFTUMBMKA-VIFPVBQESA-N 0 0 327.331 3.121 10 5 EGBERN Cc1cc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000598231003 460215522 /nfs/dbraw/zinc/21/55/22/460215522.db2.gz RLQOONCYOZJODP-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN Cc1cc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000598231005 460215573 /nfs/dbraw/zinc/21/55/73/460215573.db2.gz RLQOONCYOZJODP-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN CC[C@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598249294 460221548 /nfs/dbraw/zinc/22/15/48/460221548.db2.gz HQICHYBSHOEKQE-KRWDZBQOSA-N 0 0 329.356 3.157 10 5 EGBERN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCCO1 ZINC000610718718 460224851 /nfs/dbraw/zinc/22/48/51/460224851.db2.gz BPXMVEOYWUZLTA-OAHLLOKOSA-N 0 0 345.399 3.401 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000610718843 460225110 /nfs/dbraw/zinc/22/51/10/460225110.db2.gz QVOCVQUBUFHIDK-MRXNPFEDSA-N 0 0 345.399 3.401 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC(CC(F)(F)F)C1 ZINC000610744990 460230012 /nfs/dbraw/zinc/23/00/12/460230012.db2.gz OBVYPHXHPOQDSX-UHFFFAOYSA-N 0 0 345.321 3.198 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC(CC2CC2)C1 ZINC000622251938 460235397 /nfs/dbraw/zinc/23/53/97/460235397.db2.gz SXVXJNXUJNBFEO-UHFFFAOYSA-N 0 0 346.430 3.413 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Cl)o1 ZINC000614938302 460248965 /nfs/dbraw/zinc/24/89/65/460248965.db2.gz QWKMJSGUCBOSCO-UHFFFAOYSA-N 0 0 325.708 3.172 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CC3)CC2)c1C ZINC000599507776 460264202 /nfs/dbraw/zinc/26/42/02/460264202.db2.gz HATKLBXILMZKMZ-UHFFFAOYSA-N 0 0 338.429 3.166 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599520736 460266955 /nfs/dbraw/zinc/26/69/55/460266955.db2.gz BARWDKARZDCPOH-PYLYLYNFSA-N 0 0 338.429 3.103 10 5 EGBERN Cc1c(CC(=O)NCC(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000610972028 460268847 /nfs/dbraw/zinc/26/88/47/460268847.db2.gz QNXKSQSVRIZLKE-MRXNPFEDSA-N 0 0 334.416 3.157 10 5 EGBERN C[C@H]1CCN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000603264331 460274184 /nfs/dbraw/zinc/27/41/84/460274184.db2.gz ARISLVQGJZMRRW-ZDUSSCGKSA-N 0 0 326.352 3.408 10 5 EGBERN CCOC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000615192000 460290824 /nfs/dbraw/zinc/29/08/24/460290824.db2.gz UOVUWWFAYSEACN-UHFFFAOYSA-N 0 0 326.780 3.198 10 5 EGBERN COC(=O)[C@](C)(NCc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599642496 460295650 /nfs/dbraw/zinc/29/56/50/460295650.db2.gz HLBFMYNAUXUNDR-GOSISDBHSA-N 0 0 328.368 3.081 10 5 EGBERN O=c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640109 460295699 /nfs/dbraw/zinc/29/56/99/460295699.db2.gz BTBSYEFIUKONDZ-ZDUSSCGKSA-N 0 0 334.763 3.081 10 5 EGBERN CC[C@@H](CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599651180 460298346 /nfs/dbraw/zinc/29/83/46/460298346.db2.gz HWXSQKFNLJLZJC-BDJLRTHQSA-N 0 0 344.358 3.254 10 5 EGBERN CC[C@H](CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599651184 460299285 /nfs/dbraw/zinc/29/92/85/460299285.db2.gz HWXSQKFNLJLZJC-ZBEGNZNMSA-N 0 0 344.358 3.254 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccnc(SC)c1 ZINC000611246870 460316288 /nfs/dbraw/zinc/31/62/88/460316288.db2.gz YTSBULIMXKIGMP-UHFFFAOYSA-N 0 0 348.384 3.042 10 5 EGBERN Cc1c(NC(=O)N[C@@]2(CO)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000599703145 460316660 /nfs/dbraw/zinc/31/66/60/460316660.db2.gz ZGZGDTRMPLQKFA-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN COc1ccc(C(=O)N2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000611256448 460319405 /nfs/dbraw/zinc/31/94/05/460319405.db2.gz SXVQQSBANGUEJF-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1c(C(=O)N2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000611256061 460319890 /nfs/dbraw/zinc/31/98/90/460319890.db2.gz IPTLXUJJCSRQQN-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CCOCC1 ZINC000599831608 460343897 /nfs/dbraw/zinc/34/38/97/460343897.db2.gz PQFRDNRTQZNMOY-NSHDSACASA-N 0 0 344.371 3.080 10 5 EGBERN CCCCN(CCCO)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832496 460343935 /nfs/dbraw/zinc/34/39/35/460343935.db2.gz DMUCKLPRRVZOIH-UHFFFAOYSA-N 0 0 346.387 3.159 10 5 EGBERN C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831536 460344042 /nfs/dbraw/zinc/34/40/42/460344042.db2.gz OJGLWDDETHTRQW-NEPJUHHUSA-N 0 0 344.371 3.080 10 5 EGBERN COC1CC(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834687 460344556 /nfs/dbraw/zinc/34/45/56/460344556.db2.gz MSVMNXLAFWTGCO-UHFFFAOYSA-N 0 0 344.371 3.080 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCCC1(F)F ZINC000599836743 460345684 /nfs/dbraw/zinc/34/56/84/460345684.db2.gz XDQHCYGXQLRTST-CYBMUJFWSA-N 0 0 336.298 3.452 10 5 EGBERN CC[C@@](C)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599839003 460346186 /nfs/dbraw/zinc/34/61/86/460346186.db2.gz NNCLIODXSXXFBQ-INIZCTEOSA-N 0 0 332.360 3.080 10 5 EGBERN COC(=O)c1oc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC000599956317 460363423 /nfs/dbraw/zinc/36/34/23/460363423.db2.gz MJFSWQLUZJCTDC-UHFFFAOYSA-N 0 0 332.312 3.152 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619500764 460370660 /nfs/dbraw/zinc/37/06/60/460370660.db2.gz QIWFYOFNPCQIBU-KWQFWETISA-N 0 0 326.278 3.315 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccsc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590165 460391781 /nfs/dbraw/zinc/39/17/81/460391781.db2.gz DRUSMGIEHSKIIH-RISCZKNCSA-N 0 0 331.397 3.258 10 5 EGBERN CCOC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000600136906 460399759 /nfs/dbraw/zinc/39/97/59/460399759.db2.gz FTIBNJWJISYCOJ-ZDUSSCGKSA-N 0 0 343.383 3.326 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000611585491 460410299 /nfs/dbraw/zinc/41/02/99/460410299.db2.gz GMUYUNUMBSBBDU-VIFPVBQESA-N 0 0 334.706 3.092 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 ZINC000611616210 460414578 /nfs/dbraw/zinc/41/45/78/460414578.db2.gz UQJLOMBOTXEFRR-CYBMUJFWSA-N 0 0 345.403 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000611617445 460414790 /nfs/dbraw/zinc/41/47/90/460414790.db2.gz VGIVDGLQWJFVGJ-DOMZBBRYSA-N 0 0 349.337 3.197 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCOC1 ZINC000600163608 460414966 /nfs/dbraw/zinc/41/49/66/460414966.db2.gz ANZTYIUWRQGXPO-HOTGVXAUSA-N 0 0 334.416 3.096 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CCc2ccccc2CC1 ZINC000600167884 460417947 /nfs/dbraw/zinc/41/79/47/460417947.db2.gz SGIQCEUZRKXWLG-UHFFFAOYSA-N 0 0 339.395 3.102 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600170989 460418989 /nfs/dbraw/zinc/41/89/89/460418989.db2.gz VALVQGBQMPKSIX-QLFBSQMISA-N 0 0 331.416 3.339 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C(F)F ZINC000619715032 460421117 /nfs/dbraw/zinc/42/11/17/460421117.db2.gz KJUZXVZVIBQCSD-ZDUSSCGKSA-N 0 0 339.342 3.429 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC000619735284 460424559 /nfs/dbraw/zinc/42/45/59/460424559.db2.gz BIQYWQSEUCUQJR-CYBMUJFWSA-N 0 0 329.404 3.263 10 5 EGBERN CC(C)COC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611706830 460433547 /nfs/dbraw/zinc/43/35/47/460433547.db2.gz BIKLXAYEAAYKCB-UHFFFAOYSA-N 0 0 330.388 3.179 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](c4cccs4)C3)c2c1 ZINC000611711691 460436887 /nfs/dbraw/zinc/43/68/87/460436887.db2.gz NVMCUEQHTGAEDV-AWEZNQCLSA-N 0 0 342.380 3.177 10 5 EGBERN Cc1c(CC(=O)N[C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000600300518 460466752 /nfs/dbraw/zinc/46/67/52/460466752.db2.gz DRJHZUVBNQIJKW-LJQANCHMSA-N 0 0 339.395 3.498 10 5 EGBERN CSc1ccc(C(=O)N2CCC(=O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600305141 460469155 /nfs/dbraw/zinc/46/91/55/460469155.db2.gz NOUDHGHISPQWEF-UHFFFAOYSA-N 0 0 336.413 3.148 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@H](c2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC000600473595 460501420 /nfs/dbraw/zinc/50/14/20/460501420.db2.gz HELSABWWULXKKK-AWEZNQCLSA-N 0 0 330.388 3.316 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600502623 460506516 /nfs/dbraw/zinc/50/65/16/460506516.db2.gz ZYBVLVKITHJLMA-QWHZDKJVSA-N 0 0 343.427 3.361 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000600510227 460506687 /nfs/dbraw/zinc/50/66/87/460506687.db2.gz STKSVJNWCADNJD-HNNXBMFYSA-N 0 0 348.790 3.029 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600510842 460508484 /nfs/dbraw/zinc/50/84/84/460508484.db2.gz NXNFFQQIEIEAMZ-NXEZZACHSA-N 0 0 332.278 3.306 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000600522463 460511576 /nfs/dbraw/zinc/51/15/76/460511576.db2.gz PRPGNTMJVKXTJR-RISCZKNCSA-N 0 0 336.413 3.004 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000612110719 460543649 /nfs/dbraw/zinc/54/36/49/460543649.db2.gz VJBAASHJUMKUPX-HNNXBMFYSA-N 0 0 331.347 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)s1 ZINC000616400538 460546766 /nfs/dbraw/zinc/54/67/66/460546766.db2.gz RMGIEQQGDAKLNO-JTQLQIEISA-N 0 0 328.340 3.198 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCC12CCOCC2 ZINC000601162225 460736545 /nfs/dbraw/zinc/73/65/45/460736545.db2.gz KJRPUVFMLGSHAX-SECBINFHSA-N 0 0 348.325 3.108 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCc2ccc(O)cc21 ZINC000601195985 460747438 /nfs/dbraw/zinc/74/74/38/460747438.db2.gz XAQWHQYOSOFYGB-SNVBAGLBSA-N 0 0 342.277 3.152 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]1c1ccc(F)cc1 ZINC000601194876 460747853 /nfs/dbraw/zinc/74/78/53/460747853.db2.gz VAHYJRZPMWBXLD-SNVBAGLBSA-N 0 0 344.268 3.438 10 5 EGBERN CSCC1(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601193770 460747889 /nfs/dbraw/zinc/74/78/89/460747889.db2.gz OVJDEVKBVOHZSR-UHFFFAOYSA-N 0 0 338.355 3.292 10 5 EGBERN COc1ccc(F)c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601199174 460748747 /nfs/dbraw/zinc/74/87/47/460748747.db2.gz MVAIJQTXPSDEFR-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CCC1 ZINC000601211621 460751933 /nfs/dbraw/zinc/75/19/33/460751933.db2.gz FSGODIYKHGWFTC-UHFFFAOYSA-N 0 0 326.343 3.469 10 5 EGBERN CCNc1ccc(C(=O)Nc2cccc3cnncc32)cc1[N+](=O)[O-] ZINC000617146683 460758680 /nfs/dbraw/zinc/75/86/80/460758680.db2.gz KJHDUMGXCRKZPJ-UHFFFAOYSA-N 0 0 337.339 3.222 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2cnncc21 ZINC000617149178 460759949 /nfs/dbraw/zinc/75/99/49/460759949.db2.gz JKPIBZGAVZYYEQ-UHFFFAOYSA-N 0 0 340.364 3.269 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3cnncc32)cc1[N+](=O)[O-] ZINC000617149141 460759960 /nfs/dbraw/zinc/75/99/60/460759960.db2.gz DISYIHPSXOLBPA-UHFFFAOYSA-N 0 0 338.323 3.189 10 5 EGBERN Cc1nc(C)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601238742 460760609 /nfs/dbraw/zinc/76/06/09/460760609.db2.gz DQUCMVCCKCPFRF-UHFFFAOYSA-N 0 0 345.424 3.406 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NCc2cccc3c2CCOC3)s1 ZINC000601239229 460762370 /nfs/dbraw/zinc/76/23/70/460762370.db2.gz IBZFBRBHRJOCDT-UHFFFAOYSA-N 0 0 342.380 3.284 10 5 EGBERN COC(=O)c1c(Cl)c(N2OC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000601271913 460770584 /nfs/dbraw/zinc/77/05/84/460770584.db2.gz YLEZFUDWKUPSJC-UHFFFAOYSA-N 0 0 326.736 3.098 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2C)c([N+](=O)[O-])s1 ZINC000601285933 460777139 /nfs/dbraw/zinc/77/71/39/460777139.db2.gz VAXALUCKBUWKQA-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN CCC(CC)(CCO)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601322997 460788777 /nfs/dbraw/zinc/78/87/77/460788777.db2.gz APFOBMXKVDEBEG-UHFFFAOYSA-N 0 0 348.443 3.322 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025679 460806339 /nfs/dbraw/zinc/80/63/39/460806339.db2.gz MUJCTUMPVYPEDW-CYBMUJFWSA-N 0 0 349.362 3.130 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2(C)CCCCC2)C1=O ZINC000613070956 460819154 /nfs/dbraw/zinc/81/91/54/460819154.db2.gz MXDNXSWRVGDZOU-GOSISDBHSA-N 0 0 345.399 3.332 10 5 EGBERN CCOC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)C ZINC000601526114 460824962 /nfs/dbraw/zinc/82/49/62/460824962.db2.gz IIEIQXRTYLGVSS-INIZCTEOSA-N 0 0 334.416 3.194 10 5 EGBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H](C2CC2)O1 ZINC000601539606 460827636 /nfs/dbraw/zinc/82/76/36/460827636.db2.gz CMSOTLMHLXHTDP-DYVFJYSZSA-N 0 0 344.411 3.042 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000601605316 460845866 /nfs/dbraw/zinc/84/58/66/460845866.db2.gz OPIYJHVNNHPZTF-LBPRGKRZSA-N 0 0 333.294 3.136 10 5 EGBERN Cc1ccncc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601617130 460847747 /nfs/dbraw/zinc/84/77/47/460847747.db2.gz HAGCSPFNTOCUGZ-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN CCc1cc(NC(=O)c2cc(C)[nH]c2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000613190135 460857234 /nfs/dbraw/zinc/85/72/34/460857234.db2.gz WAIJPATUNUKUAF-UHFFFAOYSA-N 0 0 338.367 3.325 10 5 EGBERN CC1(C)[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(F)F ZINC000601669980 460863900 /nfs/dbraw/zinc/86/39/00/460863900.db2.gz FOPNJMLFDIKVFI-CYBMUJFWSA-N 0 0 338.354 3.424 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601702148 460876877 /nfs/dbraw/zinc/87/68/77/460876877.db2.gz JTVPOINZUGGVEA-QGZVFWFLSA-N 0 0 343.427 3.260 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000613300132 460901400 /nfs/dbraw/zinc/90/14/00/460901400.db2.gz BJLQCRDTEQAQFX-CQSZACIVSA-N 0 0 343.387 3.277 10 5 EGBERN O=C(NCC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000601858349 460928187 /nfs/dbraw/zinc/92/81/87/460928187.db2.gz YKLAEMPXJTYCDU-HNNXBMFYSA-N 0 0 336.363 3.203 10 5 EGBERN COc1cc(C(=O)Nc2ccnn2CC2CCC2)cc([N+](=O)[O-])c1C ZINC000601885023 460936135 /nfs/dbraw/zinc/93/61/35/460936135.db2.gz PDNJHJOESSMXIN-UHFFFAOYSA-N 0 0 344.371 3.161 10 5 EGBERN CCOc1ccc(NC(=O)CSCc2ccccn2)c([N+](=O)[O-])c1 ZINC000617852040 460997625 /nfs/dbraw/zinc/99/76/25/460997625.db2.gz SVJGIEDGEFQEOU-UHFFFAOYSA-N 0 0 347.396 3.260 10 5 EGBERN Cc1cc(C(C)C)nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000613702472 461037898 /nfs/dbraw/zinc/03/78/98/461037898.db2.gz LFHQYTJAYGUSLC-UHFFFAOYSA-N 0 0 341.415 3.143 10 5 EGBERN COc1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000618123948 461093098 /nfs/dbraw/zinc/09/30/98/461093098.db2.gz FKBUEGXXHBBAGZ-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1cc(C[C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 ZINC000178188109 533757258 /nfs/dbraw/zinc/75/72/58/533757258.db2.gz UKJRKJXZFODQIV-SECBINFHSA-N 0 0 344.396 3.202 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCO[C@@H](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000160299363 533895579 /nfs/dbraw/zinc/89/55/79/533895579.db2.gz OEAFBTQYODYFDF-SWLSCSKDSA-N 0 0 334.372 3.059 10 5 EGBERN Cc1c(NC(=O)c2cnn(CCC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000181629018 533920768 /nfs/dbraw/zinc/92/07/68/533920768.db2.gz GRSIZXDZAOWLJK-UHFFFAOYSA-N 0 0 342.277 3.304 10 5 EGBERN CC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000341255368 534691185 /nfs/dbraw/zinc/69/11/85/534691185.db2.gz FNHZWCBKQUJKCU-SNVBAGLBSA-N 0 0 345.330 3.183 10 5 EGBERN C[C@H](Nc1ccc(N2CCCC2=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC000097038274 525654781 /nfs/dbraw/zinc/65/47/81/525654781.db2.gz WSUCANCVCWIHAN-LBPRGKRZSA-N 0 0 326.356 3.290 10 5 EGBERN CC(C)O[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000344573984 534902317 /nfs/dbraw/zinc/90/23/17/534902317.db2.gz JPRCFHZGXRMCQR-HZPDHXFCSA-N 0 0 345.399 3.398 10 5 EGBERN CC(=O)SCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000187884985 527119875 /nfs/dbraw/zinc/11/98/75/527119875.db2.gz AREALSCLLLPZCY-UHFFFAOYSA-N 0 0 338.429 3.473 10 5 EGBERN CO[C@H](C)c1nsc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000337852004 536531327 /nfs/dbraw/zinc/53/13/27/536531327.db2.gz GAQQVKOBIFJCLA-SNVBAGLBSA-N 0 0 334.401 3.323 10 5 EGBERN CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000187486835 528776081 /nfs/dbraw/zinc/77/60/81/528776081.db2.gz IBHOBOWNNPXWOA-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN CCCc1nnc(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000178312602 528780221 /nfs/dbraw/zinc/78/02/21/528780221.db2.gz CFFUJRNNYZYHCT-VURMDHGXSA-N 0 0 349.368 3.268 10 5 EGBERN CC(C)SCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000345524373 535112142 /nfs/dbraw/zinc/11/21/42/535112142.db2.gz GHHXTHUFALAXFW-UHFFFAOYSA-N 0 0 336.335 3.485 10 5 EGBERN COc1ccc2c(c1)nc(CNc1nc(C)cc(C)c1[N+](=O)[O-])n2C ZINC000351561332 537019531 /nfs/dbraw/zinc/01/95/31/537019531.db2.gz FYZYDJYLNCJYFJ-UHFFFAOYSA-N 0 0 341.371 3.114 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000410935422 547842867 /nfs/dbraw/zinc/84/28/67/547842867.db2.gz GNSZZBGOMJWZLE-SECBINFHSA-N 0 0 332.278 3.160 10 5 EGBERN CC(C)Oc1ccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000726639862 574565081 /nfs/dbraw/zinc/56/50/81/574565081.db2.gz OLTFORCWZPAWSL-UHFFFAOYSA-N 0 0 348.330 3.460 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000727826762 574692262 /nfs/dbraw/zinc/69/22/62/574692262.db2.gz ALHAJHYDIRBQJJ-SECOEOQKSA-N 0 0 348.399 3.134 10 5 EGBERN COC(=O)c1cccc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000728202026 574729480 /nfs/dbraw/zinc/72/94/80/574729480.db2.gz RIANZIHVAFBWMG-LBPRGKRZSA-N 0 0 326.352 3.333 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1F ZINC000728201607 574729174 /nfs/dbraw/zinc/72/91/74/574729174.db2.gz JQCROBBKNFNPNP-GFCCVEGCSA-N 0 0 343.358 3.432 10 5 EGBERN CC/C(=C\C(=O)OCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000729073498 574810905 /nfs/dbraw/zinc/81/09/05/574810905.db2.gz VTTUTXSYTQDMDW-SDNWHVSQSA-N 0 0 329.356 3.137 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729862655 574893172 /nfs/dbraw/zinc/89/31/72/574893172.db2.gz KBHJNDMPMMRCTD-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000729893140 574894461 /nfs/dbraw/zinc/89/44/61/574894461.db2.gz ZFPMZNHZUZXOAK-SNVBAGLBSA-N 0 0 331.284 3.124 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000730350672 574974996 /nfs/dbraw/zinc/97/49/96/574974996.db2.gz YVDJQPYXMVVIDN-HOTGVXAUSA-N 0 0 327.336 3.450 10 5 EGBERN CCOc1ccc(C(=O)OCc2noc3c2CCCC3)cc1[N+](=O)[O-] ZINC000731238751 575061236 /nfs/dbraw/zinc/06/12/36/575061236.db2.gz FYIGIJUCKQVHCK-UHFFFAOYSA-N 0 0 346.339 3.217 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCCc1cccc(C(F)(F)F)c1 ZINC000731551828 575081183 /nfs/dbraw/zinc/08/11/83/575081183.db2.gz AKUGROJFHAPRGE-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN COc1ccc(CC(=O)OCCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000735606366 575688735 /nfs/dbraw/zinc/68/87/35/575688735.db2.gz YPTFMEHIWARJQO-UHFFFAOYSA-N 0 0 347.342 3.461 10 5 EGBERN COc1cccc(CCCOC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000741836330 576726574 /nfs/dbraw/zinc/72/65/74/576726574.db2.gz UYJDPJOQGHXIQA-UHFFFAOYSA-N 0 0 329.352 3.322 10 5 EGBERN Nc1ccc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000742111777 576749296 /nfs/dbraw/zinc/74/92/96/576749296.db2.gz AJTARFCZKMTOFE-MRXNPFEDSA-N 0 0 325.368 3.448 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(CC(F)(F)F)no1 ZINC000742258898 576763674 /nfs/dbraw/zinc/76/36/74/576763674.db2.gz OYVRFQPCLLFRRI-MRVPVSSYSA-N 0 0 342.277 3.034 10 5 EGBERN Cc1nc(COC(=O)c2cc(F)ccc2[N+](=O)[O-])nc2ccccc12 ZINC000743205383 576803355 /nfs/dbraw/zinc/80/33/55/576803355.db2.gz OFNSIASHGSWXDV-UHFFFAOYSA-N 0 0 341.298 3.343 10 5 EGBERN C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000743205783 576803396 /nfs/dbraw/zinc/80/33/96/576803396.db2.gz UFHOUHFLLXHFPL-MRVPVSSYSA-N 0 0 337.307 3.332 10 5 EGBERN CCCc1nnc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000098055533 1292963048 /nfs/dbraw/zinc/96/30/48/1292963048.db2.gz JFFXQTBCFYUOPS-ALCCZGGFSA-N 0 0 336.348 3.190 10 5 EGBERN COc1cccc(/C(C)=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000133770897 1293752889 /nfs/dbraw/zinc/75/28/89/1293752889.db2.gz WFRWUEYPKTVONP-PKNBQFBNSA-N 0 0 327.340 3.349 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171118489 1294394888 /nfs/dbraw/zinc/39/48/88/1294394888.db2.gz CBJCPVXTNVBJJC-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN COC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000171313835 1294402018 /nfs/dbraw/zinc/40/20/18/1294402018.db2.gz TUUDVIUZHHCCIJ-CQSZACIVSA-N 0 0 334.759 3.366 10 5 EGBERN CN(C(=O)c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000171301198 1294402166 /nfs/dbraw/zinc/40/21/66/1294402166.db2.gz FHTSIHYYRIIGNS-UHFFFAOYSA-N 0 0 340.364 3.390 10 5 EGBERN CCOc1ccc(C(=O)OCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000174362482 1294496598 /nfs/dbraw/zinc/49/65/98/1294496598.db2.gz GVZXWWJWMDRXAN-UHFFFAOYSA-N 0 0 325.214 3.051 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000869929596 1295543330 /nfs/dbraw/zinc/54/33/30/1295543330.db2.gz CJUOFFZJDVTUMS-YWFMTQBDSA-N 0 0 341.310 3.121 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)/C=C\COC1CCOCC1 ZINC000870037715 1295610175 /nfs/dbraw/zinc/61/01/75/1295610175.db2.gz DDVXRZDDNIMUCW-VQTKUKTRSA-N 0 0 349.383 3.259 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(CCF)CC2)c1F ZINC000870279584 1295785478 /nfs/dbraw/zinc/78/54/78/1295785478.db2.gz NDEOGJVVMHXVDO-UHFFFAOYSA-N 0 0 330.306 3.393 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cnn(CC(F)(F)F)c1 ZINC000870610312 1295975957 /nfs/dbraw/zinc/97/59/57/1295975957.db2.gz WOVOKYYAHLBJSX-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](OC)CC[C@H]1C ZINC000870722029 1296045124 /nfs/dbraw/zinc/04/51/24/1296045124.db2.gz LBIXQFDYXOWWCE-FRFSOERESA-N 0 0 334.416 3.189 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000870722974 1296045135 /nfs/dbraw/zinc/04/51/35/1296045135.db2.gz RVOQEQOZMQLZSI-YPMHNXCESA-N 0 0 338.379 3.037 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1ccnn1C(F)F ZINC000870742809 1296058356 /nfs/dbraw/zinc/05/83/56/1296058356.db2.gz QTDKUMGNZPIEFL-UHFFFAOYSA-N 0 0 325.271 3.160 10 5 EGBERN CC(C)[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829311 1296106605 /nfs/dbraw/zinc/10/66/05/1296106605.db2.gz KJMGZGDCLRTHLX-BDVYOWHSSA-N 0 0 343.383 3.478 10 5 EGBERN O=C(C[C@@H]1CCc2ccccc21)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829776 1296108077 /nfs/dbraw/zinc/10/80/77/1296108077.db2.gz QGRPJGOOTBDPQY-HLIUYOAVSA-N 0 0 341.367 3.158 10 5 EGBERN Nc1nc(NCCc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000226340607 1296138459 /nfs/dbraw/zinc/13/84/59/1296138459.db2.gz IPAAVYDAPDGXFZ-UHFFFAOYSA-N 0 0 343.206 3.051 10 5 EGBERN C[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)OC(C)(C)C ZINC000230800403 1296165259 /nfs/dbraw/zinc/16/52/59/1296165259.db2.gz DEGVUZBLXXXMBU-MRVPVSSYSA-N 0 0 346.177 3.466 10 5 EGBERN C[C@@H](C(=O)NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000871215263 1296279279 /nfs/dbraw/zinc/27/92/79/1296279279.db2.gz VUAYRTIREKDOMS-MRVPVSSYSA-N 0 0 338.257 3.228 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1Cl ZINC000871215867 1296279699 /nfs/dbraw/zinc/27/96/99/1296279699.db2.gz ISRPLVOWFKNDPR-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871298777 1296328914 /nfs/dbraw/zinc/32/89/14/1296328914.db2.gz PDWKUHCDUDVEQG-BXUZGUMPSA-N 0 0 338.791 3.183 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871371943 1296377109 /nfs/dbraw/zinc/37/71/09/1296377109.db2.gz JOCPCCASRPFGMO-GOSISDBHSA-N 0 0 343.358 3.278 10 5 EGBERN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1cnn2ccccc12 ZINC000255581718 1296548841 /nfs/dbraw/zinc/54/88/41/1296548841.db2.gz MJHKMULWUQGBBH-WZUFQYTHSA-N 0 0 340.726 3.389 10 5 EGBERN Cc1cccc(C(=O)NCCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872023714 1296666012 /nfs/dbraw/zinc/66/60/12/1296666012.db2.gz JSFPLYGSCXZWFK-CYBMUJFWSA-N 0 0 345.374 3.123 10 5 EGBERN C[C@H](NCCC(=O)N1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031239 1296680279 /nfs/dbraw/zinc/68/02/79/1296680279.db2.gz NACDGWGBCOPVOJ-ZDUSSCGKSA-N 0 0 337.395 3.177 10 5 EGBERN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063838 1296710175 /nfs/dbraw/zinc/71/01/75/1296710175.db2.gz UBOGCEZVRPIHGV-MNOVXSKESA-N 0 0 341.383 3.298 10 5 EGBERN CC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277538 1296786257 /nfs/dbraw/zinc/78/62/57/1296786257.db2.gz MLUCLADDJXEQKY-QGZVFWFLSA-N 0 0 340.379 3.451 10 5 EGBERN COc1c(C(=O)O[C@@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873577455 1297602477 /nfs/dbraw/zinc/60/24/77/1297602477.db2.gz YPSTYPYCRFVAQL-BXUZGUMPSA-N 0 0 337.372 3.354 10 5 EGBERN CCOC(=O)[C@H](CC)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000703803476 1298203489 /nfs/dbraw/zinc/20/34/89/1298203489.db2.gz QITZRMIYBVJMLC-JTQLQIEISA-N 0 0 332.150 3.078 10 5 EGBERN O=c1c(Br)cn(CC2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000877890383 1299621948 /nfs/dbraw/zinc/62/19/48/1299621948.db2.gz YUIRTXCDHRUSQF-UHFFFAOYSA-N 0 0 341.205 3.489 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](c2cccs2)C1 ZINC000882090983 1301823658 /nfs/dbraw/zinc/82/36/58/1301823658.db2.gz GAMVVCYVGCFFRH-CQSZACIVSA-N 0 0 332.381 3.437 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H]1CCCOC1 ZINC000882463504 1301981692 /nfs/dbraw/zinc/98/16/92/1301981692.db2.gz JZGKZPLCGMWARH-BXUZGUMPSA-N 0 0 340.807 3.492 10 5 EGBERN C[C@@H](C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1F ZINC000882549908 1302016338 /nfs/dbraw/zinc/01/63/38/1302016338.db2.gz OZSAKEUJNXCMMV-YPMHNXCESA-N 0 0 336.363 3.055 10 5 EGBERN CC(=O)c1c(N[C@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000882640318 1302042903 /nfs/dbraw/zinc/04/29/03/1302042903.db2.gz UNICYADVNXWDJM-HNNXBMFYSA-N 0 0 345.399 3.143 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)ccc1[N+](=O)[O-] ZINC000884699403 1302956539 /nfs/dbraw/zinc/95/65/39/1302956539.db2.gz BUDQOXRISRGZBR-JPHJHBEYSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000885989768 1303311757 /nfs/dbraw/zinc/31/17/57/1303311757.db2.gz NZYNDWRYZPRKDJ-OTYXRUKQSA-N 0 0 339.189 3.277 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000887183741 1303699126 /nfs/dbraw/zinc/69/91/26/1303699126.db2.gz IIBZRHNBLXJCAV-UKRRQHHQSA-N 0 0 339.779 3.017 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888844757 1304302269 /nfs/dbraw/zinc/30/22/69/1304302269.db2.gz CCKBOJJIJCJPGZ-LWTNXATQSA-N 0 0 348.424 3.003 10 5 EGBERN C/C(=C\C(=O)N[C@@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000890414963 1304780453 /nfs/dbraw/zinc/78/04/53/1304780453.db2.gz KJFDTKPNXKYBQN-CJTWTEFWSA-N 0 0 330.384 3.216 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nccs3)C2)c1C ZINC000893517231 1305945492 /nfs/dbraw/zinc/94/54/92/1305945492.db2.gz DWDVZQIKMBZZLI-LBPRGKRZSA-N 0 0 331.397 3.298 10 5 EGBERN CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893861302 1306102035 /nfs/dbraw/zinc/10/20/35/1306102035.db2.gz ITYDHRIXUBJYJI-JQWIXIFHSA-N 0 0 326.780 3.183 10 5 EGBERN O=c1[nH]c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2[nH]1 ZINC000893946328 1306139763 /nfs/dbraw/zinc/13/97/63/1306139763.db2.gz WVYRROQMNBYYFM-UHFFFAOYSA-N 0 0 338.367 3.341 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC3(CCC3)CO2)c1 ZINC000894417349 1308867564 /nfs/dbraw/zinc/86/75/64/1308867564.db2.gz ZBCDTGMPRKGFMH-NSHDSACASA-N 0 0 336.413 3.006 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000894506499 1308928893 /nfs/dbraw/zinc/92/88/93/1308928893.db2.gz UPBUWBZPTNVASO-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000894663647 1309011374 /nfs/dbraw/zinc/01/13/74/1309011374.db2.gz NOZCUTQRHHMVFB-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894704750 1309029012 /nfs/dbraw/zinc/02/90/12/1309029012.db2.gz PREDXASICNBULQ-SMDDNHRTSA-N 0 0 338.791 3.198 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](N(C)C)C(F)(F)F ZINC000896113044 1309705677 /nfs/dbraw/zinc/70/56/77/1309705677.db2.gz WVSAXUKTKREHGT-CYBMUJFWSA-N 0 0 333.310 3.092 10 5 EGBERN CC(=O)c1cc(N2CCC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000896588405 1309925654 /nfs/dbraw/zinc/92/56/54/1309925654.db2.gz ATKREIVWGWJPHU-HNNXBMFYSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](Cc2nccs2)C1 ZINC000897284731 1310268894 /nfs/dbraw/zinc/26/88/94/1310268894.db2.gz PXFOREUCYVXKJK-GFCCVEGCSA-N 0 0 331.397 3.323 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000897338617 1310299550 /nfs/dbraw/zinc/29/95/50/1310299550.db2.gz SSYVSQGCJFCYEP-VQIMIIECSA-N 0 0 349.390 3.183 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000917709736 1319865208 /nfs/dbraw/zinc/86/52/08/1319865208.db2.gz IGHGASSAQNSTAB-MUWHJKNJSA-N 0 0 326.658 3.132 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCOC12CCCC2 ZINC000929212769 1328538139 /nfs/dbraw/zinc/53/81/39/1328538139.db2.gz UNZWXYBWNVEXPC-ZDUSSCGKSA-N 0 0 339.779 3.471 10 5 EGBERN Cc1c(OC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000857580077 1328553195 /nfs/dbraw/zinc/55/31/95/1328553195.db2.gz OEBJVZFYROEZAO-CQSZACIVSA-N 0 0 335.356 3.177 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cccc(Cl)c1[N+](=O)[O-] ZINC000857971487 1328644251 /nfs/dbraw/zinc/64/42/51/1328644251.db2.gz RYDAAPLGZVRTTQ-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899430266 1317034615 /nfs/dbraw/zinc/03/46/15/1317034615.db2.gz KSBTZPRMBRPIDD-IEBWSBKVSA-N 0 0 340.379 3.125 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000956937128 1317089578 /nfs/dbraw/zinc/08/95/78/1317089578.db2.gz HCJBQMMZUBAZNH-TZMCWYRMSA-N 0 0 333.388 3.244 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000956937127 1317090365 /nfs/dbraw/zinc/09/03/65/1317090365.db2.gz HCJBQMMZUBAZNH-OCCSQVGLSA-N 0 0 333.388 3.244 10 5 EGBERN C[C@@H](Cc1ccco1)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385845 1319021343 /nfs/dbraw/zinc/02/13/43/1319021343.db2.gz LXLXOCPDKKYNLF-VIFPVBQESA-N 0 0 340.738 3.475 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[C@@H]1CCSC1 ZINC000913421864 1319032786 /nfs/dbraw/zinc/03/27/86/1319032786.db2.gz OAHMFYKTRFAIIS-LLVKDONJSA-N 0 0 342.848 3.440 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913799153 1319128959 /nfs/dbraw/zinc/12/89/59/1319128959.db2.gz YEDAXZDAZQNNLS-FWDPORAESA-N 0 0 342.754 3.075 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000858612417 1328810059 /nfs/dbraw/zinc/81/00/59/1328810059.db2.gz LRPWBHHFHLMNBQ-HNNXBMFYSA-N 0 0 325.368 3.495 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSC2(CCC2)C1 ZINC000915089651 1319419124 /nfs/dbraw/zinc/41/91/24/1319419124.db2.gz HFADZZCRUULVGR-CYBMUJFWSA-N 0 0 335.429 3.212 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930318592 1328832975 /nfs/dbraw/zinc/83/29/75/1328832975.db2.gz CTFZGPKEWZSAMK-ZWKOTPCHSA-N 0 0 346.427 3.362 10 5 EGBERN Cc1cc(OCc2cc(C(F)(F)F)nn2C)c(F)cc1[N+](=O)[O-] ZINC000917502168 1319823488 /nfs/dbraw/zinc/82/34/88/1319823488.db2.gz SFJYUWAEUQTGFQ-UHFFFAOYSA-N 0 0 333.241 3.374 10 5 EGBERN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)cc1[N+](=O)[O-] ZINC000858794152 1328862771 /nfs/dbraw/zinc/86/27/71/1328862771.db2.gz ZDDHXUQEFYLNSD-NNOLRYQLSA-N 0 0 328.821 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000858845282 1328874632 /nfs/dbraw/zinc/87/46/32/1328874632.db2.gz HMAHWPGYOFGQFW-YPMHNXCESA-N 0 0 336.392 3.108 10 5 EGBERN CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000930768106 1328964187 /nfs/dbraw/zinc/96/41/87/1328964187.db2.gz JLHHGSSNZOTXLO-NWDGAFQWSA-N 0 0 347.293 3.255 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000859380226 1328978984 /nfs/dbraw/zinc/97/89/84/1328978984.db2.gz FWILRHYRKGUJDV-UHFFFAOYSA-N 0 0 327.384 3.068 10 5 EGBERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000919614122 1322086282 /nfs/dbraw/zinc/08/62/82/1322086282.db2.gz KJLIUCAYSLVEQX-DZGCQCFKSA-N 0 0 348.399 3.238 10 5 EGBERN C[C@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000920159755 1322145968 /nfs/dbraw/zinc/14/59/68/1322145968.db2.gz WKJPJIXWNPNZJH-LBPRGKRZSA-N 0 0 338.323 3.094 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2CCC3(COC3)O2)cc1Cl ZINC000920243910 1322154057 /nfs/dbraw/zinc/15/40/57/1322154057.db2.gz JOCYSJZJEVXXHI-QMMMGPOBSA-N 0 0 334.155 3.228 10 5 EGBERN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NCc1cccc([N+](=O)[O-])c1 ZINC000930920797 1329007835 /nfs/dbraw/zinc/00/78/35/1329007835.db2.gz IESOYHJABNLBAS-STQMWFEESA-N 0 0 346.305 3.101 10 5 EGBERN O=C(OCCOc1ccccc1[N+](=O)[O-])c1c[nH]c2cc(F)ccc12 ZINC000920625559 1322199040 /nfs/dbraw/zinc/19/90/40/1322199040.db2.gz WTEBPFJSSSSAJT-UHFFFAOYSA-N 0 0 344.298 3.451 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000921267486 1322282195 /nfs/dbraw/zinc/28/21/95/1322282195.db2.gz QQJDULAPINUFPZ-OAHLLOKOSA-N 0 0 332.331 3.380 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000921512232 1322334967 /nfs/dbraw/zinc/33/49/67/1322334967.db2.gz JNPZNKRHMMSMBL-UHFFFAOYSA-N 0 0 345.270 3.017 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCSC[C@@H]1c1ccccc1 ZINC000921636146 1322367255 /nfs/dbraw/zinc/36/72/55/1322367255.db2.gz MYLCUUNNCDLNJB-CQSZACIVSA-N 0 0 331.397 3.243 10 5 EGBERN Cc1ccc([C@@H](C)C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000859576735 1329022942 /nfs/dbraw/zinc/02/29/42/1329022942.db2.gz PSEOEDFKQMCIFU-SNVBAGLBSA-N 0 0 335.287 3.165 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000921808247 1322401549 /nfs/dbraw/zinc/40/15/49/1322401549.db2.gz ZZJBMCPFGLLQKZ-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000922168794 1322470917 /nfs/dbraw/zinc/47/09/17/1322470917.db2.gz XOLCEKQUNANFES-AWEZNQCLSA-N 0 0 349.431 3.296 10 5 EGBERN C[C@H](C(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000922653515 1322580897 /nfs/dbraw/zinc/58/08/97/1322580897.db2.gz SOVCOFDAAVEOAN-XDTLVQLUSA-N 0 0 347.289 3.351 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(C2CCC2)n1 ZINC000859634568 1329041618 /nfs/dbraw/zinc/04/16/18/1329041618.db2.gz FMFPLQVVNOFTBA-LUAWRHEFSA-N 0 0 343.339 3.392 10 5 EGBERN CCC1(O)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859643284 1329042888 /nfs/dbraw/zinc/04/28/88/1329042888.db2.gz YSQHBLAJXLDOKN-UHFFFAOYSA-N 0 0 328.368 3.125 10 5 EGBERN C[C@@H](NC(=O)N[C@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000923067287 1322686557 /nfs/dbraw/zinc/68/65/57/1322686557.db2.gz DMJSIMMQMBVUFT-SJKOYZFVSA-N 0 0 347.415 3.160 10 5 EGBERN CCn1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)cc1C1CC1 ZINC000923506333 1322764472 /nfs/dbraw/zinc/76/44/72/1322764472.db2.gz JSKSCFMHWLZIKD-UHFFFAOYSA-N 0 0 345.355 3.054 10 5 EGBERN Cc1c(COC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000923721942 1322797104 /nfs/dbraw/zinc/79/71/04/1322797104.db2.gz MRKLZEIGBZFQQF-WCQYABFASA-N 0 0 347.289 3.446 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC(F)(F)C(F)F ZINC000923964233 1322857522 /nfs/dbraw/zinc/85/75/22/1322857522.db2.gz QXPYAFVGWSVLGI-UHFFFAOYSA-N 0 0 327.205 3.110 10 5 EGBERN CCc1nc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000923966811 1322858624 /nfs/dbraw/zinc/85/86/24/1322858624.db2.gz XHQZUBSLRJJIAI-UHFFFAOYSA-N 0 0 338.360 3.429 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1OC ZINC000924038807 1322881735 /nfs/dbraw/zinc/88/17/35/1322881735.db2.gz DKUYJRRNAJKGCG-VOAKCMCISA-N 0 0 348.399 3.024 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)C2(C)CC=CC2)cccc1[N+](=O)[O-] ZINC000924197360 1322932281 /nfs/dbraw/zinc/93/22/81/1322932281.db2.gz XDEMKIYONNLPLE-LBPRGKRZSA-N 0 0 332.356 3.130 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OC[C@H]1C[C@H]1C ZINC000859712081 1329061426 /nfs/dbraw/zinc/06/14/26/1329061426.db2.gz ZRYHLVBOGOKQTH-VXNVDRBHSA-N 0 0 326.736 3.019 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCS[C@H](C)C1 ZINC000931262193 1329080822 /nfs/dbraw/zinc/08/08/22/1329080822.db2.gz NMOVTMPPWZFPPM-GHMZBOCLSA-N 0 0 339.417 3.399 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1 ZINC000931328075 1329095210 /nfs/dbraw/zinc/09/52/10/1329095210.db2.gz GKNYDODFLGTCBM-ALCCZGGFSA-N 0 0 332.381 3.497 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860065539 1329138762 /nfs/dbraw/zinc/13/87/62/1329138762.db2.gz AXTZVCFTJPQNSG-KBAYOESNSA-N 0 0 340.379 3.435 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000860119977 1329151228 /nfs/dbraw/zinc/15/12/28/1329151228.db2.gz PCQJORXUCCGZKC-SKDRFNHKSA-N 0 0 348.580 3.465 10 5 EGBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000860189288 1329170175 /nfs/dbraw/zinc/17/01/75/1329170175.db2.gz RVYWHMRGCSAWPV-ZSBIGDGJSA-N 0 0 340.807 3.410 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000931749420 1329176574 /nfs/dbraw/zinc/17/65/74/1329176574.db2.gz SSCIZNYSXWNXTM-SNVBAGLBSA-N 0 0 337.376 3.309 10 5 EGBERN COC(C)(C)[C@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000925517381 1325187436 /nfs/dbraw/zinc/18/74/36/1325187436.db2.gz GJKIXOLLRACYFY-DZGCQCFKSA-N 0 0 349.431 3.297 10 5 EGBERN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000926315659 1325514162 /nfs/dbraw/zinc/51/41/62/1325514162.db2.gz JFPXCUDFSDYFNK-RYUDHWBXSA-N 0 0 347.293 3.216 10 5 EGBERN Cc1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(C)n1[C@@H]1CCOC1 ZINC000860613501 1329336124 /nfs/dbraw/zinc/33/61/24/1329336124.db2.gz BBTZMVHPDFERGD-CYBMUJFWSA-N 0 0 348.330 3.333 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000926699199 1327672843 /nfs/dbraw/zinc/67/28/43/1327672843.db2.gz PERKWRDDDHXRAP-GXSJLCMTSA-N 0 0 345.321 3.328 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927298218 1327962886 /nfs/dbraw/zinc/96/28/86/1327962886.db2.gz HUSHNOCPNMTIAI-HNAYVOBHSA-N 0 0 340.354 3.077 10 5 EGBERN CNc1ccc(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000927402104 1328008850 /nfs/dbraw/zinc/00/88/50/1328008850.db2.gz SXMCVXJYDQDYNK-VGPLMAKISA-N 0 0 335.429 3.041 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927431931 1328023793 /nfs/dbraw/zinc/02/37/93/1328023793.db2.gz VMUZUNDONRYOJO-BBRMVZONSA-N 0 0 333.388 3.230 10 5 EGBERN Cc1cc(C(=O)NCc2nccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000927619899 1328083644 /nfs/dbraw/zinc/08/36/44/1328083644.db2.gz FLBUZVNMNZNPHG-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN C/C(=C/C(=O)NCc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000927655235 1328092709 /nfs/dbraw/zinc/09/27/09/1328092709.db2.gz UWCAZRRIRHXPKK-LUAWRHEFSA-N 0 0 343.408 3.260 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928235984 1328247489 /nfs/dbraw/zinc/24/74/89/1328247489.db2.gz DEAHANXLBBGRQU-CYBMUJFWSA-N 0 0 345.399 3.496 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928270709 1328268169 /nfs/dbraw/zinc/26/81/69/1328268169.db2.gz JUDGNPVYSVQPMY-NSHDSACASA-N 0 0 349.387 3.285 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccnn1C ZINC000928369145 1328291402 /nfs/dbraw/zinc/29/14/02/1328291402.db2.gz ORPWQQKJQYUHTC-GZKZCVOOSA-N 0 0 340.383 3.095 10 5 EGBERN CCCN1C(=O)N(C[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)[C@H]1CC ZINC000929006483 1328487592 /nfs/dbraw/zinc/48/75/92/1328487592.db2.gz UJUZSZREWZLQMQ-GXTWGEPZSA-N 0 0 333.388 3.151 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@]2(CCOC2)C1 ZINC000861928451 1329451337 /nfs/dbraw/zinc/45/13/37/1329451337.db2.gz ZZSLHOFBPKJTTH-LJQANCHMSA-N 0 0 340.379 3.391 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862016244 1329455221 /nfs/dbraw/zinc/45/52/21/1329455221.db2.gz FUXRDWZWQRSTHC-HIFRSBDPSA-N 0 0 328.368 3.435 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862142718 1329461702 /nfs/dbraw/zinc/46/17/02/1329461702.db2.gz CKTGEBJQBRBRPG-SNVBAGLBSA-N 0 0 328.796 3.429 10 5 EGBERN CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862686324 1329502760 /nfs/dbraw/zinc/50/27/60/1329502760.db2.gz PUDFMBJXRIIMCT-XIKOKIGWSA-N 0 0 326.352 3.045 10 5 EGBERN CC(C)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862780487 1329508517 /nfs/dbraw/zinc/50/85/17/1329508517.db2.gz SDWSUYDQZIXLDA-CQSZACIVSA-N 0 0 330.384 3.275 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1Cl ZINC000863000229 1329521713 /nfs/dbraw/zinc/52/17/13/1329521713.db2.gz SNHXTJMTMBBIRL-RBQUTUCGSA-N 0 0 326.780 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Cl ZINC000863000230 1329521887 /nfs/dbraw/zinc/52/18/87/1329521887.db2.gz SNHXTJMTMBBIRL-YCWTYVPXSA-N 0 0 326.780 3.098 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(C)(C)C)Cc3ccccc32)n1 ZINC000863255210 1329539875 /nfs/dbraw/zinc/53/98/75/1329539875.db2.gz AWHIFFYYMVEEMS-ZDUSSCGKSA-N 0 0 342.399 3.194 10 5 EGBERN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863281099 1329543673 /nfs/dbraw/zinc/54/36/73/1329543673.db2.gz AKNUEFYBCSYAOV-SUMWQHHRSA-N 0 0 326.352 3.045 10 5 EGBERN Cn1nc(CSCCOc2ccccc2[N+](=O)[O-])cc1Cl ZINC000863393239 1329551620 /nfs/dbraw/zinc/55/16/20/1329551620.db2.gz YGHZTOOVPPKYME-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000863813667 1329583261 /nfs/dbraw/zinc/58/32/61/1329583261.db2.gz KAQGITVRVWLICV-ISZGNANSSA-N 0 0 331.416 3.479 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863813492 1329583404 /nfs/dbraw/zinc/58/34/04/1329583404.db2.gz IYUCSTDKGVYBJA-SFAKSCPVSA-N 0 0 342.399 3.149 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000863815635 1329583459 /nfs/dbraw/zinc/58/34/59/1329583459.db2.gz YZPMQFFERCFKIY-JDGPPOGSSA-N 0 0 333.344 3.321 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)OCC(F)(F)F ZINC000863849460 1329585659 /nfs/dbraw/zinc/58/56/59/1329585659.db2.gz IXPLZTGTDGHEFM-QMMMGPOBSA-N 0 0 338.307 3.028 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000863938180 1329589780 /nfs/dbraw/zinc/58/97/80/1329589780.db2.gz QBJMJULNJJLAJH-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2c[nH]nc21 ZINC000864090884 1329597239 /nfs/dbraw/zinc/59/72/39/1329597239.db2.gz CZLUWOCBOVBVTK-NSHDSACASA-N 0 0 339.355 3.092 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865054821 1329665715 /nfs/dbraw/zinc/66/57/15/1329665715.db2.gz WSGJVCYEYJKJJR-UHFFFAOYSA-N 0 0 345.374 3.153 10 5 EGBERN CC1(C)CCC[C@]2(C1)NC(=O)N(c1ccc([N+](=O)[O-])cc1F)C2=O ZINC000865213105 1329676328 /nfs/dbraw/zinc/67/63/28/1329676328.db2.gz RWCLYYZSIHMEKR-MRXNPFEDSA-N 0 0 335.335 3.129 10 5 EGBERN CCOc1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1F ZINC000865522783 1329708740 /nfs/dbraw/zinc/70/87/40/1329708740.db2.gz VLEIGPMSIDFKRZ-UHFFFAOYSA-N 0 0 338.310 3.376 10 5 EGBERN CC(C)Oc1cccc([C@@H](O)CNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000865543537 1329711325 /nfs/dbraw/zinc/71/13/25/1329711325.db2.gz PNLSZWMBUIXJND-HNNXBMFYSA-N 0 0 335.335 3.062 10 5 EGBERN CC[C@@H](C[C@H](C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000865872231 1329747670 /nfs/dbraw/zinc/74/76/70/1329747670.db2.gz JMBOXZOIBYNGDE-AAEUAGOBSA-N 0 0 335.429 3.357 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(F)F)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000934209438 1329955756 /nfs/dbraw/zinc/95/57/56/1329955756.db2.gz NUZSGIGAXSRPKR-LLVKDONJSA-N 0 0 336.298 3.204 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000866052885 1330059921 /nfs/dbraw/zinc/05/99/21/1330059921.db2.gz NKGRTQWKKHVUEP-ZFWWWQNUSA-N 0 0 333.775 3.346 10 5 EGBERN CC(C)(NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000866061969 1330061079 /nfs/dbraw/zinc/06/10/79/1330061079.db2.gz ZQMOVTSYYJZQBC-UHFFFAOYSA-N 0 0 341.205 3.205 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000866079441 1330063380 /nfs/dbraw/zinc/06/33/80/1330063380.db2.gz RBZQNRYRMXJHQJ-MEELUSRTSA-N 0 0 332.425 3.461 10 5 EGBERN Cc1ccc(C[C@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000866094957 1330065073 /nfs/dbraw/zinc/06/50/73/1330065073.db2.gz RMSCYESKCATEDF-IBGZPJMESA-N 0 0 341.411 3.479 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CCC2)[C@@H]2CCOC2)s1 ZINC000866140841 1330069977 /nfs/dbraw/zinc/06/99/77/1330069977.db2.gz GSSQCFKUSFXOHC-ZWNOBZJWSA-N 0 0 334.401 3.217 10 5 EGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@H]1CC2(CO1)CCOCC2 ZINC000866175800 1330073892 /nfs/dbraw/zinc/07/38/92/1330073892.db2.gz NYGSDRDHWLUEKA-SNVBAGLBSA-N 0 0 344.770 3.385 10 5 EGBERN CC(C)Oc1nc(NCc2nn(C)cc2C(F)F)ccc1[N+](=O)[O-] ZINC000866192612 1330076104 /nfs/dbraw/zinc/07/61/04/1330076104.db2.gz DDZGUBLZRGOFJF-UHFFFAOYSA-N 0 0 341.318 3.060 10 5 EGBERN CCOc1cccc(NCc2nn(C)cc2C(F)F)c1[N+](=O)[O-] ZINC000866194182 1330076367 /nfs/dbraw/zinc/07/63/67/1330076367.db2.gz UNDPVSUPJLEHOH-UHFFFAOYSA-N 0 0 326.303 3.277 10 5 EGBERN COc1ccc([C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)cc1 ZINC000866235377 1330082435 /nfs/dbraw/zinc/08/24/35/1330082435.db2.gz BXPJVYSNTAWNFC-MRXNPFEDSA-N 0 0 332.331 3.320 10 5 EGBERN COc1ccccc1[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000866271368 1330088739 /nfs/dbraw/zinc/08/87/39/1330088739.db2.gz JBFGFNCCMYRQGC-ZDUSSCGKSA-N 0 0 343.383 3.478 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC2(CSC2)C1 ZINC000866500531 1330118969 /nfs/dbraw/zinc/11/89/69/1330118969.db2.gz DUFRRFLDQIZDLW-UHFFFAOYSA-N 0 0 326.805 3.008 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000866941348 1330159569 /nfs/dbraw/zinc/15/95/69/1330159569.db2.gz DTZBGFNXYGHCTP-UHFFFAOYSA-N 0 0 343.358 3.078 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2CCSc3ccccc32)no1 ZINC000867146677 1330178981 /nfs/dbraw/zinc/17/89/81/1330178981.db2.gz WZQRFQCCCIQKOU-SNVBAGLBSA-N 0 0 343.368 3.006 10 5 EGBERN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000867222797 1330186165 /nfs/dbraw/zinc/18/61/65/1330186165.db2.gz YZXXAYMXPMXNSQ-SOZUMNATSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000868122719 1330251887 /nfs/dbraw/zinc/25/18/87/1330251887.db2.gz QJPFSDHNHICOHU-UKRRQHHQSA-N 0 0 347.415 3.162 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000868404058 1330277312 /nfs/dbraw/zinc/27/73/12/1330277312.db2.gz JZHHISVAXMVWJP-UHDJJACNSA-N 0 0 327.384 3.027 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868749841 1330331371 /nfs/dbraw/zinc/33/13/71/1330331371.db2.gz VAGCATPLTRBFRE-SJORKVTESA-N 0 0 347.415 3.050 10 5 EGBERN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000869052555 1330403262 /nfs/dbraw/zinc/40/32/62/1330403262.db2.gz BAVJQDBUMOSRRW-ZDUSSCGKSA-N 0 0 328.372 3.201 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869053843 1330403964 /nfs/dbraw/zinc/40/39/64/1330403964.db2.gz VKPPWQVMQGBMKM-INIZCTEOSA-N 0 0 349.431 3.394 10 5 EGBERN Cc1ccc(CNC(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000869054037 1330404100 /nfs/dbraw/zinc/40/41/00/1330404100.db2.gz DXSZNEJTLZRXIE-RYUDHWBXSA-N 0 0 341.358 3.336 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000869056180 1330404337 /nfs/dbraw/zinc/40/43/37/1330404337.db2.gz YSXQZLQQMGJVFG-KGLIPLIRSA-N 0 0 335.429 3.083 10 5 EGBERN Cc1cc(C)c(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1 ZINC000869370906 1330475363 /nfs/dbraw/zinc/47/53/63/1330475363.db2.gz MZLXDFRTXZXEBY-UHFFFAOYSA-N 0 0 348.330 3.176 10 5 EGBERN O=C(OCc1coc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000869539099 1330519748 /nfs/dbraw/zinc/51/97/48/1330519748.db2.gz VXZLXJSQVATEDI-LSDHHAIUSA-N 0 0 328.324 3.307 10 5 EGBERN O=C(Cc1cnn2c1CCCC2)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000869591014 1330528917 /nfs/dbraw/zinc/52/89/17/1330528917.db2.gz YRYFEJPPYWKVNU-UHFFFAOYSA-N 0 0 349.774 3.067 10 5 EGBERN COCc1sccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000869806869 1330567890 /nfs/dbraw/zinc/56/78/90/1330567890.db2.gz IGAIMUJSDLBTKN-UHFFFAOYSA-N 0 0 337.353 3.039 10 5 EGBERN Cc1ccnc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000869811386 1330568905 /nfs/dbraw/zinc/56/89/05/1330568905.db2.gz PKGFGHTYIRIZJU-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN CCOc1ccc(-c2nnc(Cc3cccnc3)o2)cc1[N+](=O)[O-] ZINC001322997249 1387262663 /nfs/dbraw/zinc/26/26/63/1387262663.db2.gz XDYSVYMBOPUGHV-UHFFFAOYSA-N 0 0 326.312 3.029 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001324445241 1387624857 /nfs/dbraw/zinc/62/48/57/1387624857.db2.gz REGZJBBUAGAJON-UHFFFAOYSA-N 0 0 331.727 3.095 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2scnc2C)cc1C ZINC001185331708 1387685214 /nfs/dbraw/zinc/68/52/14/1387685214.db2.gz RZWADJYJXBXDJE-UHFFFAOYSA-N 0 0 349.412 3.481 10 5 EGBERN CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(=O)OC(C)(C)C ZINC001196056924 1368540960 /nfs/dbraw/zinc/54/09/60/1368540960.db2.gz NJQUDPBDUPZFAY-GFCCVEGCSA-N 0 0 338.404 3.156 10 5 EGBERN COCC1(N(C)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001197582691 1368844388 /nfs/dbraw/zinc/84/43/88/1368844388.db2.gz WPQDATMTQQHAIT-UHFFFAOYSA-N 0 0 343.221 3.358 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001197978568 1368935690 /nfs/dbraw/zinc/93/56/90/1368935690.db2.gz JJQGWYFGZLCKKW-LJQANCHMSA-N 0 0 334.379 3.466 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C)CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001186648328 1387993798 /nfs/dbraw/zinc/99/37/98/1387993798.db2.gz XNENHXHMIICRSE-INIZCTEOSA-N 0 0 342.342 3.431 10 5 EGBERN COC(=O)[C@H](C)c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC001186687404 1387998084 /nfs/dbraw/zinc/99/80/84/1387998084.db2.gz BWCSSVAHALMFFF-SECBINFHSA-N 0 0 346.368 3.324 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC001186731055 1388001264 /nfs/dbraw/zinc/00/12/64/1388001264.db2.gz QOFCGGVLCSFSII-AEJSXWLSSA-N 0 0 342.779 3.260 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186821099 1388011245 /nfs/dbraw/zinc/01/12/45/1388011245.db2.gz BKTSDMCXSMWWPM-KBPBESRZSA-N 0 0 330.363 3.475 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3cc(Cl)nnc3C2)c2ncccc12 ZINC001186833503 1388011897 /nfs/dbraw/zinc/01/18/97/1388011897.db2.gz STINIOQFBRVSOR-UHFFFAOYSA-N 0 0 341.758 3.149 10 5 EGBERN COC(=O)c1ccnc(N2CC(C)(C)c3ccccc32)c1[N+](=O)[O-] ZINC001187233510 1388078583 /nfs/dbraw/zinc/07/85/83/1388078583.db2.gz HXCUHQVRDZYNTQ-UHFFFAOYSA-N 0 0 327.340 3.206 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)OCCCc1cccnc1 ZINC001116868754 1370990272 /nfs/dbraw/zinc/99/02/72/1370990272.db2.gz LOCJMJCTIGZBMG-UHFFFAOYSA-N 0 0 330.340 3.178 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1-c1nnc(Cc2ccsc2)o1 ZINC001117223127 1371023714 /nfs/dbraw/zinc/02/37/14/1371023714.db2.gz BMRDIMLJXRXECO-UHFFFAOYSA-N 0 0 330.369 3.363 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001118735589 1371218597 /nfs/dbraw/zinc/21/85/97/1371218597.db2.gz KXDKAWKSQJIYAZ-MRZGDXHCSA-N 0 0 330.384 3.168 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(F)c([N+](=O)[O-])cc1F ZINC001118785511 1371227200 /nfs/dbraw/zinc/22/72/00/1371227200.db2.gz KPKCVFSQLPBXCA-BWVDBABLSA-N 0 0 332.253 3.037 10 5 EGBERN CNC(=O)c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001187574792 1388127243 /nfs/dbraw/zinc/12/72/43/1388127243.db2.gz BIXZWLHJTZAPGE-SNVBAGLBSA-N 0 0 344.327 3.036 10 5 EGBERN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@]12CCOC2 ZINC001119493329 1371355071 /nfs/dbraw/zinc/35/50/71/1371355071.db2.gz ZOBOSGRAMREMRT-CYBMUJFWSA-N 0 0 349.145 3.046 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](CO)CCc2ccccc2)s1 ZINC001187647910 1388136382 /nfs/dbraw/zinc/13/63/82/1388136382.db2.gz SFAIKXDPJBPHPH-GFCCVEGCSA-N 0 0 344.396 3.005 10 5 EGBERN CC(=O)c1ccc(N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001187889229 1388184481 /nfs/dbraw/zinc/18/44/81/1388184481.db2.gz SNSIWHXHKYHCHY-BETUJISGSA-N 0 0 349.387 3.265 10 5 EGBERN Cc1cc(NCCn2cc(-c3ccccc3)nn2)c([N+](=O)[O-])s1 ZINC001187912954 1388189081 /nfs/dbraw/zinc/18/90/81/1388189081.db2.gz HIFKIMYTVNWABK-UHFFFAOYSA-N 0 0 329.385 3.335 10 5 EGBERN CC[C@](C)(O)CCOC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001123378865 1372447789 /nfs/dbraw/zinc/44/77/89/1372447789.db2.gz NVCYIAOHQXHFRR-HNNXBMFYSA-N 0 0 343.401 3.033 10 5 EGBERN CCOc1cc(NC(=O)N2CCC[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC001123425433 1372463106 /nfs/dbraw/zinc/46/31/06/1372463106.db2.gz KKKNSVNNDUSWHF-NSHDSACASA-N 0 0 329.303 3.255 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001124032116 1372661381 /nfs/dbraw/zinc/66/13/81/1372661381.db2.gz XEYJMBQZQVJVIT-SJORKVTESA-N 0 0 343.383 3.250 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1sccn1C ZINC001124208017 1372683536 /nfs/dbraw/zinc/68/35/36/1372683536.db2.gz DJOLHNATOVSIOL-UHFFFAOYSA-N 0 0 337.426 3.238 10 5 EGBERN Cc1ncc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC001124217910 1372683934 /nfs/dbraw/zinc/68/39/34/1372683934.db2.gz ODSVZRIITSHYAW-UHFFFAOYSA-N 0 0 344.352 3.196 10 5 EGBERN O=C(Nc1ccc2c(c1)OCCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC001124260904 1372688208 /nfs/dbraw/zinc/68/82/08/1372688208.db2.gz YCNCVCGWKJJTRI-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN CCOC(=O)c1csc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001124368188 1372695398 /nfs/dbraw/zinc/69/53/98/1372695398.db2.gz ADMKBFCQBVSXAT-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Cl)n1 ZINC001124396544 1372698316 /nfs/dbraw/zinc/69/83/16/1372698316.db2.gz ORFBTOJBDQOCNL-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CCSc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccn1 ZINC001124620092 1372717302 /nfs/dbraw/zinc/71/73/02/1372717302.db2.gz WLOMUKQWBIRJSU-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN Cc1cc(C(F)(F)F)nc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)n1 ZINC001125149883 1372756341 /nfs/dbraw/zinc/75/63/41/1372756341.db2.gz GNQFUQNFSSXFOI-UHFFFAOYSA-N 0 0 341.245 3.240 10 5 EGBERN CCOc1cccc(/C=C\C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001125311783 1372769159 /nfs/dbraw/zinc/76/91/59/1372769159.db2.gz UIPYNDWKUGXIBN-FLIBITNWSA-N 0 0 340.379 3.366 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001125791897 1372857664 /nfs/dbraw/zinc/85/76/64/1372857664.db2.gz VMDVCXXDXKIONI-UHFFFAOYSA-N 0 0 332.316 3.233 10 5 EGBERN O=C(NCc1ccccc1Sc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126020320 1372912457 /nfs/dbraw/zinc/91/24/57/1372912457.db2.gz AUOHJFAPFSSSLI-HUUCEWRRSA-N 0 0 328.393 3.119 10 5 EGBERN CC[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001126031089 1372916269 /nfs/dbraw/zinc/91/62/69/1372916269.db2.gz XOQQYDXXOSJYLU-ZDUSSCGKSA-N 0 0 348.399 3.408 10 5 EGBERN CN(C)c1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC001126246745 1372952413 /nfs/dbraw/zinc/95/24/13/1372952413.db2.gz GSTCZHFEYFNXFM-UHFFFAOYSA-N 0 0 348.790 3.281 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)/C=C\c2cccnc2C)cc1[N+](=O)[O-] ZINC001126533477 1372972579 /nfs/dbraw/zinc/97/25/79/1372972579.db2.gz USIKKGZXRAFAHI-CKXPSTMWSA-N 0 0 325.368 3.497 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3SC[C@H]2C)n1 ZINC001126831659 1373038050 /nfs/dbraw/zinc/03/80/50/1373038050.db2.gz WNVDPGIPDHURBR-LLVKDONJSA-N 0 0 329.381 3.439 10 5 EGBERN CO[C@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127127290 1373092137 /nfs/dbraw/zinc/09/21/37/1373092137.db2.gz IXUWUSRTAUQAMV-MRXNPFEDSA-N 0 0 348.786 3.122 10 5 EGBERN O=C(c1cccn2nccc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001127401055 1373123150 /nfs/dbraw/zinc/12/31/50/1373123150.db2.gz YTZJDAYNSWGNDE-UHFFFAOYSA-N 0 0 336.351 3.047 10 5 EGBERN COc1nc(C)ccc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864929 1373192236 /nfs/dbraw/zinc/19/22/36/1373192236.db2.gz YKULTSHCBMWBQY-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1cc(Cl)ccc1Cl ZINC001127903911 1373197964 /nfs/dbraw/zinc/19/79/64/1373197964.db2.gz IWKPPQXKLBXYOG-UHFFFAOYSA-N 0 0 344.154 3.150 10 5 EGBERN Cc1ccc2c(c1)C=C(C(=O)NCc1cccc([N+](=O)[O-])c1C)CO2 ZINC001128004952 1373207668 /nfs/dbraw/zinc/20/76/68/1373207668.db2.gz PKVANPHOMXLRBM-UHFFFAOYSA-N 0 0 338.363 3.304 10 5 EGBERN CC1(C)CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001128173277 1373228911 /nfs/dbraw/zinc/22/89/11/1373228911.db2.gz MZOIWYMBXJXMHR-BLLLJJGKSA-N 0 0 345.399 3.173 10 5 EGBERN C/C=C/COc1cccc(CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC001128350825 1373256348 /nfs/dbraw/zinc/25/63/48/1373256348.db2.gz KJIRUDYNRPVBFM-ONEGZZNKSA-N 0 0 341.367 3.150 10 5 EGBERN CN(C(=O)c1ccc(OC(F)F)cc1F)c1ccc([N+](=O)[O-])nc1 ZINC001128453912 1373271014 /nfs/dbraw/zinc/27/10/14/1373271014.db2.gz IRARWTGBXAGMSV-UHFFFAOYSA-N 0 0 341.245 3.007 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC001128472874 1373273580 /nfs/dbraw/zinc/27/35/80/1373273580.db2.gz ZQYOFEOBAALDGI-QLFBSQMISA-N 0 0 333.432 3.220 10 5 EGBERN Cc1ccc(C(=O)NCc2ccc([Si](C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001128499935 1373277611 /nfs/dbraw/zinc/27/76/11/1373277611.db2.gz LDZBCXQNMXFGBW-UHFFFAOYSA-N 0 0 342.471 3.378 10 5 EGBERN Nc1c(C(=O)Nc2cncc(F)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001128557962 1373290829 /nfs/dbraw/zinc/29/08/29/1373290829.db2.gz UNEUINGCKPCHIZ-UHFFFAOYSA-N 0 0 326.287 3.117 10 5 EGBERN O=C(NC[C@H]1CCSC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001128714874 1373304690 /nfs/dbraw/zinc/30/46/90/1373304690.db2.gz JEOJZFMGOAHCRL-GFCCVEGCSA-N 0 0 343.408 3.140 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccnn1CC(F)(F)F ZINC001128846975 1373315889 /nfs/dbraw/zinc/31/58/89/1373315889.db2.gz HPEGSPXWZZSRBH-UHFFFAOYSA-N 0 0 348.668 3.259 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOCC23CCCCC3)c1C ZINC001128929684 1373325083 /nfs/dbraw/zinc/32/50/83/1373325083.db2.gz AZXCHBAMJNFQKY-UHFFFAOYSA-N 0 0 332.400 3.387 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001128961177 1373328498 /nfs/dbraw/zinc/32/84/98/1373328498.db2.gz QAZUGMCQLSXYDK-UHFFFAOYSA-N 0 0 346.358 3.088 10 5 EGBERN CC(=O)c1nc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)sc1C ZINC001129216318 1373362110 /nfs/dbraw/zinc/36/21/10/1373362110.db2.gz OVHJOWHFNNBKMF-UHFFFAOYSA-N 0 0 333.369 3.431 10 5 EGBERN COc1nc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(C)cc1C ZINC001129227955 1373363615 /nfs/dbraw/zinc/36/36/15/1373363615.db2.gz YLVTZOZMVSELSJ-UHFFFAOYSA-N 0 0 348.330 3.420 10 5 EGBERN Cc1ccc(COC(=O)COc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001129248007 1373365281 /nfs/dbraw/zinc/36/52/81/1373365281.db2.gz WXVHEOAQRZQLIV-UHFFFAOYSA-N 0 0 337.278 3.304 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)co2)cc1[N+](=O)[O-] ZINC001129357403 1373375031 /nfs/dbraw/zinc/37/50/31/1373375031.db2.gz KQXXJVQITLWLLU-UHFFFAOYSA-N 0 0 345.233 3.253 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1csc2ccccc12 ZINC001129514896 1373392365 /nfs/dbraw/zinc/39/23/65/1373392365.db2.gz NPXBQNIOISOVFC-UHFFFAOYSA-N 0 0 331.353 3.058 10 5 EGBERN COc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC001129566395 1373398004 /nfs/dbraw/zinc/39/80/04/1373398004.db2.gz AGTPVRDVZYSQLH-QPJJXVBHSA-N 0 0 333.731 3.304 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2cccc(OC)c12 ZINC001129600947 1373401798 /nfs/dbraw/zinc/40/17/98/1373401798.db2.gz QCWRKZUXDYZFEE-UHFFFAOYSA-N 0 0 340.339 3.066 10 5 EGBERN COc1cc(C(=O)Oc2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC001130138530 1373459954 /nfs/dbraw/zinc/45/99/54/1373459954.db2.gz XLAMTIFZWHBLOT-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN O=C(Nc1cc2cc[nH]c2cn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001130294481 1373486961 /nfs/dbraw/zinc/48/69/61/1373486961.db2.gz CROBEZLMCQTASD-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN COCc1csc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001131081445 1373638522 /nfs/dbraw/zinc/63/85/22/1373638522.db2.gz VOJMOLSUKSQXJQ-UHFFFAOYSA-N 0 0 346.364 3.479 10 5 EGBERN O=C(Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131459606 1373702986 /nfs/dbraw/zinc/70/29/86/1373702986.db2.gz OUKQRWFLSSDNTM-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN O=C(/C=C\c1cncc(F)c1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001131462849 1373703665 /nfs/dbraw/zinc/70/36/65/1373703665.db2.gz UYHIZZSQLWFOLA-RJRFIUFISA-N 0 0 338.298 3.329 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cc(F)cc(Cl)c1 ZINC001131511607 1373713446 /nfs/dbraw/zinc/71/34/46/1373713446.db2.gz OIBDFHCEKDIYCK-UHFFFAOYSA-N 0 0 325.679 3.372 10 5 EGBERN CO[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CCCC1 ZINC001131637191 1373739187 /nfs/dbraw/zinc/73/91/87/1373739187.db2.gz CUYUKMYYQCAADX-KRWDZBQOSA-N 0 0 346.427 3.338 10 5 EGBERN O=C(NCc1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC001131699938 1373770663 /nfs/dbraw/zinc/77/06/63/1373770663.db2.gz UDAOPBBGSOWDTC-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN C[C@@H](C(=O)Oc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1F ZINC001131891186 1375029837 /nfs/dbraw/zinc/02/98/37/1375029837.db2.gz JSQRHOYBYWBSHU-SNVBAGLBSA-N 0 0 331.299 3.378 10 5 EGBERN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001131928584 1375050855 /nfs/dbraw/zinc/05/08/55/1375050855.db2.gz VTUQIPZLYRKBTD-CYBMUJFWSA-N 0 0 341.367 3.431 10 5 EGBERN CC[C@@H](C[C@@H](C)CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001225559736 1375124535 /nfs/dbraw/zinc/12/45/35/1375124535.db2.gz IYPHQIIGQZZJLK-INWMFGNUSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@@H](C[C@H](C)CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001225559741 1375125236 /nfs/dbraw/zinc/12/52/36/1375125236.db2.gz IYPHQIIGQZZJLK-NOLJZWGESA-N 0 0 337.420 3.142 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCc1cccc(F)c1 ZINC001188692100 1388361954 /nfs/dbraw/zinc/36/19/54/1388361954.db2.gz JNJLJTSXDFEODY-UHFFFAOYSA-N 0 0 339.326 3.200 10 5 EGBERN COc1cccc2c1OCC[C@@H]2OC(=O)c1ccccc1[N+](=O)[O-] ZINC001132287700 1375268796 /nfs/dbraw/zinc/26/87/96/1375268796.db2.gz OWVWIPVJCGXULC-AWEZNQCLSA-N 0 0 329.308 3.284 10 5 EGBERN COc1cccc(C(=O)N[C@H](CF)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001132556619 1375462958 /nfs/dbraw/zinc/46/29/58/1375462958.db2.gz ZTRDZMUCLPFNIJ-CYBMUJFWSA-N 0 0 336.294 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC001132654196 1375498694 /nfs/dbraw/zinc/49/86/94/1375498694.db2.gz HATLASKDBBVDDT-GFCCVEGCSA-N 0 0 337.372 3.233 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c1 ZINC001188862539 1388393153 /nfs/dbraw/zinc/39/31/53/1388393153.db2.gz CVIRGJSTRWKVEI-WFASDCNBSA-N 0 0 327.764 3.355 10 5 EGBERN Cc1nccnc1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001133067466 1375754709 /nfs/dbraw/zinc/75/47/09/1375754709.db2.gz KSPSEXKKGAUKKW-UHFFFAOYSA-N 0 0 349.350 3.032 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC001133128198 1375791941 /nfs/dbraw/zinc/79/19/41/1375791941.db2.gz XFCUPXWOOKWDDJ-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN C=C/C=C/CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC001133267505 1375882350 /nfs/dbraw/zinc/88/23/50/1375882350.db2.gz HWEVXNMFJRBPSU-SNAWJCMRSA-N 0 0 340.383 3.010 10 5 EGBERN COc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2nccc(OC)c2c1 ZINC001133326197 1375924005 /nfs/dbraw/zinc/92/40/05/1375924005.db2.gz OSRKSACOJNEEDQ-UHFFFAOYSA-N 0 0 347.371 3.026 10 5 EGBERN COC(=O)c1c(C)c(C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001133329168 1375925578 /nfs/dbraw/zinc/92/55/78/1375925578.db2.gz OPJPVXFGJOGOQN-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN COc1cc(OCC(=O)N(C)C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001133467982 1376024983 /nfs/dbraw/zinc/02/49/83/1376024983.db2.gz SHOJEFVVNYKQRF-GFCCVEGCSA-N 0 0 338.404 3.123 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](CC)C[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC001230505766 1376045410 /nfs/dbraw/zinc/04/54/10/1376045410.db2.gz IYPHQIIGQZZJLK-IVMMDQJWSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001133629511 1376127997 /nfs/dbraw/zinc/12/79/97/1376127997.db2.gz DISHODQJVDWYNF-MRXNPFEDSA-N 0 0 338.367 3.212 10 5 EGBERN CCn1cc(Cl)c(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC001133729168 1376180776 /nfs/dbraw/zinc/18/07/76/1376180776.db2.gz PNUAPDOGACNIDO-UHFFFAOYSA-N 0 0 340.792 3.195 10 5 EGBERN Cc1ccc(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001133775848 1376202596 /nfs/dbraw/zinc/20/25/96/1376202596.db2.gz MMGZGZPBJGUAKV-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1SC ZINC001133980665 1376295841 /nfs/dbraw/zinc/29/58/41/1376295841.db2.gz FFFADHOGFFFYFS-UHFFFAOYSA-N 0 0 346.364 3.356 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc2ccccc21 ZINC001134272220 1376447907 /nfs/dbraw/zinc/44/79/07/1376447907.db2.gz LBOLOTOAQZOHOU-UHFFFAOYSA-N 0 0 325.324 3.347 10 5 EGBERN CC[C@@H]1CCCc2sc(NC(=O)CCn3cc([N+](=O)[O-])cn3)nc21 ZINC001134729406 1376682609 /nfs/dbraw/zinc/68/26/09/1376682609.db2.gz YEARXODAVUWGNV-SNVBAGLBSA-N 0 0 349.416 3.107 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC001134963072 1376813269 /nfs/dbraw/zinc/81/32/69/1376813269.db2.gz UNIHRVYYKKBXAJ-CYBMUJFWSA-N 0 0 347.415 3.317 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001265724124 1377164015 /nfs/dbraw/zinc/16/40/15/1377164015.db2.gz HHLUIFXWDXXPKE-ZWNOBZJWSA-N 0 0 330.388 3.416 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001135744978 1377200017 /nfs/dbraw/zinc/20/00/17/1377200017.db2.gz ZCHAQXFPTNUNFO-UHFFFAOYSA-N 0 0 349.730 3.008 10 5 EGBERN CC(C)n1nccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001135771651 1377207673 /nfs/dbraw/zinc/20/76/73/1377207673.db2.gz ORUHQUGTOPMWQD-UHFFFAOYSA-N 0 0 340.343 3.015 10 5 EGBERN COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3N)sc2c1 ZINC001135918758 1377262061 /nfs/dbraw/zinc/26/20/61/1377262061.db2.gz FSMAGCUJXKTXHO-UHFFFAOYSA-N 0 0 344.352 3.048 10 5 EGBERN C[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[C@H]1c1ccccc1 ZINC001137002800 1377455412 /nfs/dbraw/zinc/45/54/12/1377455412.db2.gz UXFRVWIIYUJGON-CMPLNLGQSA-N 0 0 348.790 3.237 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(O)cc3C2)cc1Cl ZINC001137466017 1377552338 /nfs/dbraw/zinc/55/23/38/1377552338.db2.gz KOCBYQKUZRWPGJ-UHFFFAOYSA-N 0 0 346.770 3.461 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001137630402 1377576061 /nfs/dbraw/zinc/57/60/61/1377576061.db2.gz XOMGBMYYQBHIHC-CABCVRRESA-N 0 0 349.350 3.122 10 5 EGBERN CCC(CC)CC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001269867244 1377585823 /nfs/dbraw/zinc/58/58/23/1377585823.db2.gz VTMJWZNXBIAARW-UHFFFAOYSA-N 0 0 339.461 3.125 10 5 EGBERN Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)n[nH]1 ZINC001137825745 1377622672 /nfs/dbraw/zinc/62/26/72/1377622672.db2.gz YJTPEVSNJQDERW-UHFFFAOYSA-N 0 0 337.339 3.128 10 5 EGBERN CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC001138091852 1377675475 /nfs/dbraw/zinc/67/54/75/1377675475.db2.gz QYXUKKJFNVVQAX-ZDUSSCGKSA-N 0 0 347.440 3.412 10 5 EGBERN Nc1ncc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001140102258 1378007453 /nfs/dbraw/zinc/00/74/53/1378007453.db2.gz GLARJUZZIMBJJQ-ZFWWWQNUSA-N 0 0 340.383 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCCCO)cc1 ZINC001140301443 1378042882 /nfs/dbraw/zinc/04/28/82/1378042882.db2.gz ZENCYVHFOYPVLU-UHFFFAOYSA-N 0 0 344.367 3.225 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cnc3ccccn23)cc1[N+](=O)[O-] ZINC001278537325 1378281780 /nfs/dbraw/zinc/28/17/80/1378281780.db2.gz DJHZBCWTCVAXDP-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC001141588602 1378347141 /nfs/dbraw/zinc/34/71/41/1378347141.db2.gz YMBAPEGQBAGRSO-CYBMUJFWSA-N 0 0 346.774 3.339 10 5 EGBERN Cc1noc(C)c1CN(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001141594449 1378349063 /nfs/dbraw/zinc/34/90/63/1378349063.db2.gz BNTGQDHWFYQKHF-UHFFFAOYSA-N 0 0 337.763 3.054 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(N)ccc(F)c1C ZINC001141720611 1378365746 /nfs/dbraw/zinc/36/57/46/1378365746.db2.gz QEMOEAJSZQSFQD-UHFFFAOYSA-N 0 0 333.319 3.276 10 5 EGBERN CCCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C)o1 ZINC001142507382 1378449835 /nfs/dbraw/zinc/44/98/35/1378449835.db2.gz WSKDGRIHPWZXJB-GFCCVEGCSA-N 0 0 346.387 3.477 10 5 EGBERN Cc1cc(=O)[nH]c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC001142812474 1378490726 /nfs/dbraw/zinc/49/07/26/1378490726.db2.gz ROTXMJBTXJMGJV-JTQLQIEISA-N 0 0 333.369 3.123 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)c1ncccc1C ZINC001143092989 1378538735 /nfs/dbraw/zinc/53/87/35/1378538735.db2.gz LFXHTQQQGQXSFH-UHFFFAOYSA-N 0 0 336.298 3.070 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC001146398212 1378834139 /nfs/dbraw/zinc/83/41/39/1378834139.db2.gz FRTIYRHDDSEJKJ-UHFFFAOYSA-N 0 0 334.335 3.491 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC2(CC2(F)F)C1 ZINC001327692018 1388583452 /nfs/dbraw/zinc/58/34/52/1388583452.db2.gz LMXFHIDYYVEPPO-UHFFFAOYSA-N 0 0 326.299 3.290 10 5 EGBERN Cc1cn2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2n1 ZINC001148712730 1379249100 /nfs/dbraw/zinc/24/91/00/1379249100.db2.gz HRYBZJCSXNGEKM-UHFFFAOYSA-N 0 0 349.350 3.213 10 5 EGBERN C[C@H](C(=O)N[C@H]1CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001152690158 1379971387 /nfs/dbraw/zinc/97/13/87/1379971387.db2.gz VGMYRAGRSGOBCF-QFYYESIMSA-N 0 0 342.326 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3c(cccc3F)[nH]2)c1C ZINC001153158522 1380028671 /nfs/dbraw/zinc/02/86/71/1380028671.db2.gz BLQBQISFFJJMMT-UHFFFAOYSA-N 0 0 342.330 3.157 10 5 EGBERN O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001153184988 1380031412 /nfs/dbraw/zinc/03/14/12/1380031412.db2.gz IDKZYCKMTPVSHL-HZPDHXFCSA-N 0 0 332.306 3.489 10 5 EGBERN CCC[C@H]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154331540 1380257019 /nfs/dbraw/zinc/25/70/19/1380257019.db2.gz IRSQBDNXELHTGI-SUMWQHHRSA-N 0 0 332.400 3.401 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)nc1F ZINC001155285261 1380433337 /nfs/dbraw/zinc/43/33/37/1380433337.db2.gz RRICFTCVIYEHKG-UHFFFAOYSA-N 0 0 337.738 3.097 10 5 EGBERN CO/C(=C/c1ccccc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001155285179 1380433454 /nfs/dbraw/zinc/43/34/54/1380433454.db2.gz PPUDVGFWWBBRKT-NBVRZTHBSA-N 0 0 340.379 3.283 10 5 EGBERN CSc1ncc(Cl)c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)n1 ZINC001159506285 1381810694 /nfs/dbraw/zinc/81/06/94/1381810694.db2.gz QKAZGHCIKNLZMV-UHFFFAOYSA-N 0 0 338.776 3.321 10 5 EGBERN C=C/C=C/CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001288433134 1381811099 /nfs/dbraw/zinc/81/10/99/1381811099.db2.gz MIMOGEBWZYRRFN-ONEGZZNKSA-N 0 0 339.189 3.148 10 5 EGBERN CNc1c(C(=O)Nc2cncc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001159659190 1381861561 /nfs/dbraw/zinc/86/15/61/1381861561.db2.gz XJHDNRBIPQCCTD-UHFFFAOYSA-N 0 0 340.261 3.303 10 5 EGBERN CC(C)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cn1 ZINC001289142494 1381977460 /nfs/dbraw/zinc/97/74/60/1381977460.db2.gz CNXOWHNOJRUXMW-UHFFFAOYSA-N 0 0 339.355 3.102 10 5 EGBERN CCNc1ccc(C(=O)Nc2noc3c2CCCC3)cc1[N+](=O)[O-] ZINC001289744386 1382009606 /nfs/dbraw/zinc/00/96/06/1382009606.db2.gz PQGVCUJCIKQOAI-UHFFFAOYSA-N 0 0 330.344 3.146 10 5 EGBERN Cc1cc(C(=O)Nc2nc3c(s2)CCCC3=O)cc([N+](=O)[O-])c1 ZINC001289904771 1382019259 /nfs/dbraw/zinc/01/92/59/1382019259.db2.gz GCVHEEDIYLJKDP-UHFFFAOYSA-N 0 0 331.353 3.131 10 5 EGBERN Nc1c(F)c(Cl)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585100 1382098347 /nfs/dbraw/zinc/09/83/47/1382098347.db2.gz CCVGTJRQUNWZFH-UHFFFAOYSA-N 0 0 335.722 3.172 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2o1 ZINC001160457759 1382108599 /nfs/dbraw/zinc/10/85/99/1382108599.db2.gz CWTMTAPWDZEUSX-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN C[C@H](CCC1CCCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293408897 1382283583 /nfs/dbraw/zinc/28/35/83/1382283583.db2.gz ZARQSLMIWBMUGR-SECBINFHSA-N 0 0 328.800 3.450 10 5 EGBERN CCC[C@@H]1SCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001293577805 1382305595 /nfs/dbraw/zinc/30/55/95/1382305595.db2.gz OWVBBYOFSGKLGB-VIFPVBQESA-N 0 0 347.799 3.285 10 5 EGBERN O=Cc1c[nH]c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc12 ZINC001293831918 1382372124 /nfs/dbraw/zinc/37/21/24/1382372124.db2.gz SVXFDIJVINUFCD-UHFFFAOYSA-N 0 0 335.319 3.092 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001328585583 1388782315 /nfs/dbraw/zinc/78/23/15/1388782315.db2.gz PNJKBWXDORTZAQ-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCOc2c(F)cccc21 ZINC001294008809 1382405802 /nfs/dbraw/zinc/40/58/02/1382405802.db2.gz ALCCLNIQXIKLCG-AWEZNQCLSA-N 0 0 348.305 3.056 10 5 EGBERN CCCCO[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1(C)C ZINC001294440433 1382458502 /nfs/dbraw/zinc/45/85/02/1382458502.db2.gz MGNWEVMGCOCAIX-CABCVRRESA-N 0 0 349.431 3.350 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC001162037694 1382611051 /nfs/dbraw/zinc/61/10/51/1382611051.db2.gz IJQBKEQUJLMIMC-LBPRGKRZSA-N 0 0 336.779 3.030 10 5 EGBERN CN(Cc1ccc(OC(F)(F)F)cc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001162098704 1382629386 /nfs/dbraw/zinc/62/93/86/1382629386.db2.gz HQILGCQTDJGGOY-UHFFFAOYSA-N 0 0 343.261 3.230 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(SC[C@@H]2CC2(Cl)Cl)n1 ZINC001162210160 1382657093 /nfs/dbraw/zinc/65/70/93/1382657093.db2.gz FPMJQMZVXFXXMJ-LURJTMIESA-N 0 0 337.184 3.062 10 5 EGBERN C[C@@](O)(CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccco1 ZINC001162644222 1382819882 /nfs/dbraw/zinc/81/98/82/1382819882.db2.gz HXSDNIBIRQJOCE-OAHLLOKOSA-N 0 0 348.746 3.104 10 5 EGBERN O=[N+]([O-])c1c(NCCO[C@H]2CC2(F)F)cccc1C(F)(F)F ZINC001163685579 1383105968 /nfs/dbraw/zinc/10/59/68/1383105968.db2.gz IYXLEBWBBSTJGG-VIFPVBQESA-N 0 0 326.221 3.450 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H]3COc4cc(F)ccc4C3)c2c1 ZINC001163754978 1383118251 /nfs/dbraw/zinc/11/82/51/1383118251.db2.gz YQNDLHQKFVQFQV-LBPRGKRZSA-N 0 0 340.314 3.093 10 5 EGBERN CCC(=O)N1CCc2ccc(Nc3nc(C)ccc3[N+](=O)[O-])cc21 ZINC001164234489 1383169550 /nfs/dbraw/zinc/16/95/50/1383169550.db2.gz PPIIZGJPFJDCBW-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(F)c1Cl ZINC001166040372 1383380311 /nfs/dbraw/zinc/38/03/11/1383380311.db2.gz SICBAVOSFHSTAK-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN COC(=O)c1oc(COc2cc([N+](=O)[O-])c(F)cc2F)cc1C ZINC001166321384 1383411586 /nfs/dbraw/zinc/41/15/86/1383411586.db2.gz OOWUIKKRXZLVME-UHFFFAOYSA-N 0 0 327.239 3.140 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)ccc1[N+](=O)[O-] ZINC001299234145 1383491277 /nfs/dbraw/zinc/49/12/77/1383491277.db2.gz YPPCFYRQKAXVPY-QHCPKHFHSA-N 0 0 333.369 3.191 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001299859095 1383632919 /nfs/dbraw/zinc/63/29/19/1383632919.db2.gz SYKWWQPFCITPGB-LBPRGKRZSA-N 0 0 329.356 3.351 10 5 EGBERN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC001300149356 1383648366 /nfs/dbraw/zinc/64/83/66/1383648366.db2.gz FKKYMOWOVQLZRP-UHFFFAOYSA-N 0 0 331.719 3.014 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NOc1ccc(F)cc1 ZINC001300517974 1383668809 /nfs/dbraw/zinc/66/88/09/1383668809.db2.gz OZMGKMOQZWCUDE-UHFFFAOYSA-N 0 0 338.722 3.430 10 5 EGBERN O=C(NCc1ccns1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001300928221 1383685874 /nfs/dbraw/zinc/68/58/74/1383685874.db2.gz YCTQDPAUUCFXAK-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001301561540 1383721023 /nfs/dbraw/zinc/72/10/23/1383721023.db2.gz MFAGYJSZPSRJRU-UHFFFAOYSA-N 0 0 345.746 3.039 10 5 EGBERN Cc1cn2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2n1 ZINC001167768281 1383736021 /nfs/dbraw/zinc/73/60/21/1383736021.db2.gz VUGOEZJLTFWTQR-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CNc1c(C(=O)Nc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC001302744161 1383766380 /nfs/dbraw/zinc/76/63/80/1383766380.db2.gz BFUDWPFGJWOMCI-UHFFFAOYSA-N 0 0 332.335 3.094 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001303498364 1383801654 /nfs/dbraw/zinc/80/16/54/1383801654.db2.gz UEHVBYKIPJCXDJ-SNVBAGLBSA-N 0 0 344.327 3.036 10 5 EGBERN C[C@H]1CC[C@H](CC(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001303528602 1383802903 /nfs/dbraw/zinc/80/29/03/1383802903.db2.gz NZDRQNZADGAADH-STQMWFEESA-N 0 0 344.415 3.346 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328819608 1388880926 /nfs/dbraw/zinc/88/09/26/1388880926.db2.gz NGKHJLJECILZQD-JKSUJKDBSA-N 0 0 343.408 3.280 10 5 EGBERN O=c1[nH]ccc(NCCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001306910141 1383918886 /nfs/dbraw/zinc/91/88/86/1383918886.db2.gz QYNYKSXVJSPUKQ-UHFFFAOYSA-N 0 0 327.262 3.369 10 5 EGBERN COc1cc(NCCOc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC001306927109 1383921862 /nfs/dbraw/zinc/92/18/62/1383921862.db2.gz GAPWWKWZRORBAA-UHFFFAOYSA-N 0 0 336.319 3.242 10 5 EGBERN NC(=O)C1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCCC1 ZINC001306970438 1383928032 /nfs/dbraw/zinc/92/80/32/1383928032.db2.gz OIJBFKLXNCBSNP-UHFFFAOYSA-N 0 0 331.294 3.071 10 5 EGBERN CCOc1cc(NCCCNc2ccc(C)cc2[N+](=O)[O-])ncn1 ZINC001306973261 1383928563 /nfs/dbraw/zinc/92/85/63/1383928563.db2.gz GONFWSJPKRMNBZ-UHFFFAOYSA-N 0 0 331.376 3.006 10 5 EGBERN CCN(C[C@H](O)c1ccc(C)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001306987123 1383930575 /nfs/dbraw/zinc/93/05/75/1383930575.db2.gz WDIONMHWPRQUER-KRWDZBQOSA-N 0 0 340.383 3.339 10 5 EGBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001307147590 1383945613 /nfs/dbraw/zinc/94/56/13/1383945613.db2.gz YJPVFKRWEJGJFP-VXGBXAGGSA-N 0 0 326.418 3.235 10 5 EGBERN C[C@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001168603207 1383946313 /nfs/dbraw/zinc/94/63/13/1383946313.db2.gz DKXINOJVDAHYOW-VIFPVBQESA-N 0 0 330.369 3.156 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001307205717 1383957044 /nfs/dbraw/zinc/95/70/44/1383957044.db2.gz SVKFZHAGDSOVAT-LOWVWBTDSA-N 0 0 345.786 3.221 10 5 EGBERN O=C1Nc2ccc(F)cc2C2(CN(c3ccsc3[N+](=O)[O-])C2)O1 ZINC001307226832 1383961103 /nfs/dbraw/zinc/96/11/03/1383961103.db2.gz GMLPWTXCHPDECM-UHFFFAOYSA-N 0 0 335.316 3.073 10 5 EGBERN CCn1ccnc1SCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307287010 1383966513 /nfs/dbraw/zinc/96/65/13/1383966513.db2.gz WWRIGBZTIXSQAF-UHFFFAOYSA-N 0 0 331.357 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CSc2cnccn2)c1 ZINC001307304854 1383968858 /nfs/dbraw/zinc/96/88/58/1383968858.db2.gz DKSKVJSYFYBODP-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN Cn1cc(CN2CCc3cc(C(C)(C)C)ccc3C2)c([N+](=O)[O-])n1 ZINC001307443303 1383990809 /nfs/dbraw/zinc/99/08/09/1383990809.db2.gz AFLYCLOHPYAYKR-UHFFFAOYSA-N 0 0 328.416 3.184 10 5 EGBERN O=[N+]([O-])c1ccc(OCCN2CCOc3c(F)c(F)ccc32)cc1 ZINC001307848416 1384041511 /nfs/dbraw/zinc/04/15/11/1384041511.db2.gz GRBTXBMAFABGME-UHFFFAOYSA-N 0 0 336.294 3.151 10 5 EGBERN O=[N+]([O-])c1ncccc1CN[C@@H](CO)c1cccc(Cl)c1Cl ZINC001307944473 1384061061 /nfs/dbraw/zinc/06/10/61/1384061061.db2.gz QTNAHAZXKCXPQU-LBPRGKRZSA-N 0 0 342.182 3.120 10 5 EGBERN O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001308049946 1384080735 /nfs/dbraw/zinc/08/07/35/1384080735.db2.gz FYCYZROWTVMZFH-UHFFFAOYSA-N 0 0 346.774 3.137 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H]([C@H]2CCCO2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313681 1384338960 /nfs/dbraw/zinc/33/89/60/1384338960.db2.gz VRIXKYLZGSPLRZ-DJIMGWMZSA-N 0 0 347.415 3.256 10 5 EGBERN CCC1(CC)[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001312346930 1384341703 /nfs/dbraw/zinc/34/17/03/1384341703.db2.gz BDKLBLLRYPSEOA-CVEARBPZSA-N 0 0 349.431 3.296 10 5 EGBERN Cn1cc(CN2CCc3ccccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC001170604284 1384348719 /nfs/dbraw/zinc/34/87/19/1384348719.db2.gz IHHDPUZXDVAOHT-IBGZPJMESA-N 0 0 348.406 3.476 10 5 EGBERN CC[C@H](C)CONC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312765529 1384369483 /nfs/dbraw/zinc/36/94/83/1384369483.db2.gz NQHZMFPGXRIONE-DZGCQCFKSA-N 0 0 335.404 3.462 10 5 EGBERN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170862128 1384400862 /nfs/dbraw/zinc/40/08/62/1384400862.db2.gz QHZZWDVDAHNMBG-JKSUJKDBSA-N 0 0 344.415 3.006 10 5 EGBERN O=C(NC1(CO)CCCCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001174563741 1385120272 /nfs/dbraw/zinc/12/02/72/1385120272.db2.gz XXPSBBCWWMWAOX-UHFFFAOYSA-N 0 0 345.399 3.281 10 5 EGBERN O=C(NOc1ccccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001177109747 1385816933 /nfs/dbraw/zinc/81/69/33/1385816933.db2.gz OMYGYVYWLIRNJT-UHFFFAOYSA-N 0 0 327.271 3.006 10 5 EGBERN C[C@@H]1CCC[C@@H]1CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177680684 1386021766 /nfs/dbraw/zinc/02/17/66/1386021766.db2.gz BMPCJALEZDPAEN-CHWSQXEVSA-N 0 0 344.415 3.346 10 5 EGBERN O=C(NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])cc1Cl ZINC001178011519 1386109222 /nfs/dbraw/zinc/10/92/22/1386109222.db2.gz VPWHIVGBHLZNHD-UHFFFAOYSA-N 0 0 331.662 3.104 10 5 EGBERN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001178521941 1386241310 /nfs/dbraw/zinc/24/13/10/1386241310.db2.gz HXGPWGTUAVQMRD-ZYHUDNBSSA-N 0 0 348.790 3.380 10 5 EGBERN CN(CCN(C)C(=O)CC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001319970380 1386427299 /nfs/dbraw/zinc/42/72/99/1386427299.db2.gz SGYGXEKPFMXZGO-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(C)c1OC ZINC001179879361 1386615828 /nfs/dbraw/zinc/61/58/28/1386615828.db2.gz KWCLBLOIPNNYHH-UHFFFAOYSA-N 0 0 345.355 3.063 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCCc2nccnc21 ZINC001329587719 1389168537 /nfs/dbraw/zinc/16/85/37/1389168537.db2.gz NOPSVJHDFXEZLR-PCUGXKRQSA-N 0 0 339.351 3.409 10 5 EGBERN C[C@@H](NCCC(=O)N1CCC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233427 1390058107 /nfs/dbraw/zinc/05/81/07/1390058107.db2.gz XGCPNQAQTLKOPK-QWHCGFSZSA-N 0 0 337.395 3.033 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC001332373983 1390099831 /nfs/dbraw/zinc/09/98/31/1390099831.db2.gz OFOXSEMZTTYCLF-AAEUAGOBSA-N 0 0 338.791 3.041 10 5 EGBERN CCCC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001339840815 1390168900 /nfs/dbraw/zinc/16/89/00/1390168900.db2.gz IKSMJLFCAFHXET-UHFFFAOYSA-N 0 0 336.388 3.264 10 5 EGBERN CO[C@@H](COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC001333228174 1390268969 /nfs/dbraw/zinc/26/89/69/1390268969.db2.gz OKJGKNXDEBUHGF-AWEZNQCLSA-N 0 0 327.764 3.149 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCCC1(F)F ZINC001334281394 1390511247 /nfs/dbraw/zinc/51/12/47/1390511247.db2.gz WMOGGUNUAALSNQ-JTQLQIEISA-N 0 0 327.331 3.192 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001334522934 1390550877 /nfs/dbraw/zinc/55/08/77/1390550877.db2.gz JVQHUZRNELCOGM-LETLQTKMSA-N 0 0 330.718 3.330 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001335093463 1390641017 /nfs/dbraw/zinc/64/10/17/1390641017.db2.gz UAZYCXQTAJWFOM-FRJFDASCSA-N 0 0 339.342 3.389 10 5 EGBERN O=C(NC[C@H]1CCCC2(CCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335296160 1390668948 /nfs/dbraw/zinc/66/89/48/1390668948.db2.gz HUGDNSTYQLTVED-MRXNPFEDSA-N 0 0 345.399 3.112 10 5 EGBERN CCO[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001335519524 1390697218 /nfs/dbraw/zinc/69/72/18/1390697218.db2.gz FHCGWQQMZNEPFA-QGZVFWFLSA-N 0 0 332.400 3.075 10 5 EGBERN Cc1cc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c(C)nn1 ZINC001343885944 1390742344 /nfs/dbraw/zinc/74/23/44/1390742344.db2.gz DPCLLUZYRGBQDW-UHFFFAOYSA-N 0 0 341.367 3.167 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC001344402297 1390789228 /nfs/dbraw/zinc/78/92/28/1390789228.db2.gz IVJZACNYTPYJMY-NSHDSACASA-N 0 0 342.779 3.147 10 5 EGBERN CN(Cc1ccn(C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC001344773512 1390813923 /nfs/dbraw/zinc/81/39/23/1390813923.db2.gz OURVYNFOIUNMRJ-UHFFFAOYSA-N 0 0 345.403 3.290 10 5 EGBERN CCOc1ccc(C(=O)OC[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001344850039 1390819011 /nfs/dbraw/zinc/81/90/11/1390819011.db2.gz BKVVAFGWBNGGTI-NVXWUHKLSA-N 0 0 335.356 3.110 10 5 EGBERN C[C@@H](Cc1ccno1)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001344909763 1390823755 /nfs/dbraw/zinc/82/37/55/1390823755.db2.gz NWRFBZXEWRGRJV-QMMMGPOBSA-N 0 0 344.245 3.390 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC001345002450 1390830021 /nfs/dbraw/zinc/83/00/21/1390830021.db2.gz VUINUHRURXEBGX-CQSZACIVSA-N 0 0 334.397 3.260 10 5 EGBERN CCOC[C@H]1CCCCN1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001345094901 1390836672 /nfs/dbraw/zinc/83/66/72/1390836672.db2.gz BNFJUHXJEKYABX-GFCCVEGCSA-N 0 0 337.376 3.026 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC001345689912 1390876656 /nfs/dbraw/zinc/87/66/56/1390876656.db2.gz RFUXDGBENWMAOU-MRVPVSSYSA-N 0 0 343.792 3.014 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001345695256 1390877597 /nfs/dbraw/zinc/87/75/97/1390877597.db2.gz SECOVNINDQZXJL-VIFPVBQESA-N 0 0 342.273 3.466 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)CC(C2CC2)C2CC2)c1 ZINC001346140319 1390910496 /nfs/dbraw/zinc/91/04/96/1390910496.db2.gz FIOCQFPXWGYIFG-UHFFFAOYSA-N 0 0 347.367 3.251 10 5 EGBERN Cc1cc(O)ccc1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001346497550 1390946506 /nfs/dbraw/zinc/94/65/06/1390946506.db2.gz LZACCGCAJCGVGE-UHFFFAOYSA-N 0 0 340.379 3.343 10 5 EGBERN O=C(OC[C@@H]1CCc2cccnc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001346570419 1390955206 /nfs/dbraw/zinc/95/52/06/1390955206.db2.gz REQIOUZORVLLCE-XIRDDKMYSA-N 0 0 338.363 3.367 10 5 EGBERN O=[N+]([O-])c1ccccc1OCc1nnc(CC2(C(F)(F)F)CC2)o1 ZINC001346640081 1390965025 /nfs/dbraw/zinc/96/50/25/1390965025.db2.gz TYDYBTMCXXMVKM-UHFFFAOYSA-N 0 0 343.261 3.442 10 5 EGBERN COc1cc(C(=O)OC[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001346748798 1390977237 /nfs/dbraw/zinc/97/72/37/1390977237.db2.gz YYTPBQCDYJHUIA-JTQLQIEISA-N 0 0 341.335 3.105 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001347323957 1391054520 /nfs/dbraw/zinc/05/45/20/1391054520.db2.gz UWRQEYATPPESKE-DVVUODLYSA-N 0 0 341.314 3.159 10 5 EGBERN C[C@@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001347380741 1391064760 /nfs/dbraw/zinc/06/47/60/1391064760.db2.gz MXAQANJLAQKMLZ-ZDUSSCGKSA-N 0 0 349.383 3.164 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001347431592 1391074499 /nfs/dbraw/zinc/07/44/99/1391074499.db2.gz YSZVNJUAAJRDMQ-NSHDSACASA-N 0 0 340.351 3.022 10 5 EGBERN CNc1nccc(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001347643862 1391105019 /nfs/dbraw/zinc/10/50/19/1391105019.db2.gz DCMPKVXUHPHRCL-CYBMUJFWSA-N 0 0 332.404 3.074 10 5 EGBERN C[C@H](CNC(=O)CCc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC001347926085 1391147274 /nfs/dbraw/zinc/14/72/74/1391147274.db2.gz KGNCKXGPVDDEAB-CYBMUJFWSA-N 0 0 328.368 3.153 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001348254013 1391193002 /nfs/dbraw/zinc/19/30/02/1391193002.db2.gz ITFIUFWSJXFITO-ZBFHGGJFSA-N 0 0 343.383 3.250 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2([C@@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348591591 1391242606 /nfs/dbraw/zinc/24/26/06/1391242606.db2.gz ODKMGQPCASHJHM-BBRMVZONSA-N 0 0 347.415 3.365 10 5 EGBERN COC(=O)c1sccc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001349286855 1391317768 /nfs/dbraw/zinc/31/77/68/1391317768.db2.gz BINPPKDAJJSVAP-SNVBAGLBSA-N 0 0 348.380 3.242 10 5 EGBERN CC(C)N=c1ccccn1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349590603 1391343335 /nfs/dbraw/zinc/34/33/35/1391343335.db2.gz CHPORCZXJCMRIY-CVEARBPZSA-N 0 0 325.368 3.149 10 5 EGBERN O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349619117 1391345480 /nfs/dbraw/zinc/34/54/80/1391345480.db2.gz DFJDRXJFISLMBX-JCGIZDLHSA-N 0 0 343.427 3.070 10 5 EGBERN COc1cccc(COC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001349620852 1391345904 /nfs/dbraw/zinc/34/59/04/1391345904.db2.gz GNPIWJZLRNLZMV-IRXDYDNUSA-N 0 0 327.336 3.450 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001349779961 1391366581 /nfs/dbraw/zinc/36/65/81/1391366581.db2.gz UPICGSXGVVYYTP-MRXNPFEDSA-N 0 0 343.383 3.155 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)n1ccc(C(F)(F)F)n1 ZINC001349885727 1391381025 /nfs/dbraw/zinc/38/10/25/1391381025.db2.gz JRQUWIWNWOOCBK-ZETCQYMHSA-N 0 0 346.240 3.149 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001349942072 1391388809 /nfs/dbraw/zinc/38/88/09/1391388809.db2.gz KZTQDRNEXSFNLE-SNVBAGLBSA-N 0 0 328.324 3.179 10 5 EGBERN C[C@@]1(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1(F)F ZINC001350394089 1391458067 /nfs/dbraw/zinc/45/80/67/1391458067.db2.gz IUWUYKXKIOWFMN-OAHLLOKOSA-N 0 0 339.342 3.098 10 5 EGBERN O=C(C[C@@H]1CSc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1 ZINC001350407705 1391459813 /nfs/dbraw/zinc/45/98/13/1391459813.db2.gz QRPCOZZZIMIHRI-CYBMUJFWSA-N 0 0 330.365 3.477 10 5 EGBERN Cc1cccc(OCCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001350646604 1391498710 /nfs/dbraw/zinc/49/87/10/1391498710.db2.gz MCILDUFINKIATF-QZTJIDSGSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2s1 ZINC001350709764 1391511742 /nfs/dbraw/zinc/51/17/42/1391511742.db2.gz YGSRCWLSUATHLX-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC001351046228 1391587133 /nfs/dbraw/zinc/58/71/33/1391587133.db2.gz FPWCXMZQKDDFIL-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN CCOC(=O)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)cc1 ZINC001351046956 1391587202 /nfs/dbraw/zinc/58/72/02/1391587202.db2.gz DPLSJYNBOBVLQV-UHFFFAOYSA-N 0 0 329.308 3.299 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC001351073573 1391592152 /nfs/dbraw/zinc/59/21/52/1391592152.db2.gz FMSLGOMMHWSELB-APPDUMDISA-N 0 0 325.368 3.095 10 5 EGBERN CN(C(=O)c1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC001351177040 1391607777 /nfs/dbraw/zinc/60/77/77/1391607777.db2.gz KTGGMVXEVKLLLG-UHFFFAOYSA-N 0 0 325.246 3.285 10 5 EGBERN CN(C(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001351681873 1391670000 /nfs/dbraw/zinc/67/00/00/1391670000.db2.gz ANGZCAZADRDPKY-LBPRGKRZSA-N 0 0 339.351 3.074 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001352646285 1391827399 /nfs/dbraw/zinc/82/73/99/1391827399.db2.gz CJOUZGUGPKEPFS-OLZOCXBDSA-N 0 0 345.286 3.384 10 5 EGBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001352732628 1391837452 /nfs/dbraw/zinc/83/74/52/1391837452.db2.gz DMWXPPCALFQBJF-HOTGVXAUSA-N 0 0 349.350 3.122 10 5 EGBERN COc1cc(Cl)c(F)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001353681448 1392066622 /nfs/dbraw/zinc/06/66/22/1392066622.db2.gz JKLJVZBQOZCKHA-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN CO[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])C1CCCC1 ZINC001353972310 1392110820 /nfs/dbraw/zinc/11/08/20/1392110820.db2.gz RJIIDSZUTXZABW-QGZVFWFLSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001354007735 1392114089 /nfs/dbraw/zinc/11/40/89/1392114089.db2.gz ISJKUKYMYFKMPV-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN O=C(NCCOc1cccc(Cl)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001354285681 1392136419 /nfs/dbraw/zinc/13/64/19/1392136419.db2.gz WJXJOEYWENMVIZ-UHFFFAOYSA-N 0 0 338.722 3.196 10 5 EGBERN Cc1noc2ncc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cc12 ZINC001354309689 1392137356 /nfs/dbraw/zinc/13/73/56/1392137356.db2.gz ZCXYZAKUCFIBQI-HUUCEWRRSA-N 0 0 338.323 3.182 10 5 EGBERN COc1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2n1 ZINC001354841391 1392172199 /nfs/dbraw/zinc/17/21/99/1392172199.db2.gz OFVGSDGIKVVKLK-UHFFFAOYSA-N 0 0 349.346 3.308 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001355055147 1392189882 /nfs/dbraw/zinc/18/98/82/1392189882.db2.gz FLXLXDMUGDXPAA-DYVFJYSZSA-N 0 0 330.315 3.427 10 5 EGBERN CN(CCNC(=O)CC1(C)CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001480860631 1392986708 /nfs/dbraw/zinc/98/67/08/1392986708.db2.gz QRUYZNKPPOVDOH-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CC[C@@H]1COC(C)(C)CN1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001687732859 1396474164 /nfs/dbraw/zinc/47/41/64/1396474164.db2.gz PFQGMVVOJUSBOL-UONOGXRCSA-N 0 0 349.431 3.297 10 5 EGBERN Cc1scc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001713455309 1418106807 /nfs/dbraw/zinc/10/68/07/1418106807.db2.gz UNTNFQJQUPFDJU-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CCN(CCNC(=O)c1cc(C)oc1C)Cc1ccccc1[N+](=O)[O-] ZINC001713480961 1418167567 /nfs/dbraw/zinc/16/75/67/1418167567.db2.gz QTCRFGWVRPGPKV-UHFFFAOYSA-N 0 0 345.399 3.057 10 5 EGBERN CN(CCN(C)C(=O)C1(C)CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001715529544 1420219360 /nfs/dbraw/zinc/21/93/60/1420219360.db2.gz JQVMKIHHXQPXMY-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN CCC1(C(=O)N(C)CCN(C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001715933849 1420405706 /nfs/dbraw/zinc/40/57/06/1420405706.db2.gz RCVAUPAOKWNZMR-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN CC(C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC1CC1 ZINC001760918126 1441370813 /nfs/dbraw/zinc/37/08/13/1441370813.db2.gz GRFNDVZBHZYXKO-UHFFFAOYSA-N 0 0 341.415 3.282 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)F ZINC001764235336 1441388303 /nfs/dbraw/zinc/38/83/03/1441388303.db2.gz SQIAIYKLPGJOHN-UHFFFAOYSA-N 0 0 343.309 3.262 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001764379454 1441389524 /nfs/dbraw/zinc/38/95/24/1441389524.db2.gz ZFJWVVMKOYOEOL-UKRRQHHQSA-N 0 0 327.388 3.252 10 5 EGBERN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000050312527 214053524 /nfs/dbraw/zinc/05/35/24/214053524.db2.gz CHEIUDVDIMQELX-YGRLFVJLSA-N 0 0 347.396 3.016 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1ccsc1 ZINC000125695483 222595385 /nfs/dbraw/zinc/59/53/85/222595385.db2.gz GMPRDVGZZZXKJR-SNVBAGLBSA-N 0 0 340.426 3.275 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356746180 290622635 /nfs/dbraw/zinc/62/26/35/290622635.db2.gz LCFYNTGTHBYKLW-IPYPFGDCSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000173557135 230970251 /nfs/dbraw/zinc/97/02/51/230970251.db2.gz VRVAXPZJGUCDHJ-SMDDNHRTSA-N 0 0 346.387 3.001 10 5 EGBERN CC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177785873 529592857 /nfs/dbraw/zinc/59/28/57/529592857.db2.gz OXFLQNNNQGLTJR-QGZVFWFLSA-N 0 0 344.415 3.145 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000175463005 231451507 /nfs/dbraw/zinc/45/15/07/231451507.db2.gz TZADREXHSBUITI-PWSUYJOCSA-N 0 0 326.443 3.465 10 5 EGBERN CCc1nc(C2(NCc3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000173690728 529731395 /nfs/dbraw/zinc/73/13/95/529731395.db2.gz UJTGIVQUOADIJJ-UHFFFAOYSA-N 0 0 330.388 3.408 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178399346 232155851 /nfs/dbraw/zinc/15/58/51/232155851.db2.gz VBUGZOFCKGCLEH-AWEZNQCLSA-N 0 0 342.399 3.291 10 5 EGBERN COc1cc(OC)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178647202 232337745 /nfs/dbraw/zinc/33/77/45/232337745.db2.gz MRLMDVQOXNLGIY-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])n1 ZINC000003455447 210043641 /nfs/dbraw/zinc/04/36/41/210043641.db2.gz UNSNYLHHTPVMMV-UHFFFAOYSA-N 0 0 335.747 3.278 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000371534530 168623005 /nfs/dbraw/zinc/62/30/05/168623005.db2.gz GMDRZRQCLQGWKR-GFCCVEGCSA-N 0 0 346.364 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000041056959 213411514 /nfs/dbraw/zinc/41/15/14/213411514.db2.gz AFKVNZIYKNQEDL-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1 ZINC000371778328 168655904 /nfs/dbraw/zinc/65/59/04/168655904.db2.gz PVFNXEDKTPLYKB-CYBMUJFWSA-N 0 0 343.358 3.254 10 5 EGBERN NN=c1nc[nH]c(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000040656824 213364717 /nfs/dbraw/zinc/36/47/17/213364717.db2.gz WUEVTEAJQUIVEU-UHFFFAOYSA-N 0 0 338.327 3.206 10 5 EGBERN O=c1[nH]cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040659839 213364728 /nfs/dbraw/zinc/36/47/28/213364728.db2.gz KNFCKSUUKUNYDC-UHFFFAOYSA-N 0 0 334.641 3.094 10 5 EGBERN CCCCNc1ncnc(Oc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-] ZINC000040587546 213355131 /nfs/dbraw/zinc/35/51/31/213355131.db2.gz IMBYVUIQZCNTDP-UHFFFAOYSA-N 0 0 346.343 3.176 10 5 EGBERN CCN(CC)c1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040608238 213357689 /nfs/dbraw/zinc/35/76/89/213357689.db2.gz QDLUKRLYUQXMDX-UHFFFAOYSA-N 0 0 335.795 3.497 10 5 EGBERN CCNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] ZINC000040596320 213357044 /nfs/dbraw/zinc/35/70/44/213357044.db2.gz MVXYLAFFFGVUGI-UHFFFAOYSA-N 0 0 338.165 3.323 10 5 EGBERN Cc1nc(C)c([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])s1 ZINC000040556148 213351513 /nfs/dbraw/zinc/35/15/13/213351513.db2.gz LNNFXCGEXDATND-NSHDSACASA-N 0 0 348.428 3.348 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000040150472 213272872 /nfs/dbraw/zinc/27/28/72/213272872.db2.gz XPVYQZAXEZWMLR-UHFFFAOYSA-N 0 0 332.259 3.427 10 5 EGBERN CCCCN(CCO)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037984087 213181869 /nfs/dbraw/zinc/18/18/69/213181869.db2.gz LNSYQCAUKYNXKR-UHFFFAOYSA-N 0 0 335.187 3.136 10 5 EGBERN O=C(Nc1ncc(Br)s1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037436469 213147153 /nfs/dbraw/zinc/14/71/53/213147153.db2.gz KLDVVVMXDNBEKZ-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN Nc1nc(=O)c2cnc3cc(C(F)(F)F)c(Cl)cc3c2s1 ZINC000072237291 216076834 /nfs/dbraw/zinc/07/68/34/216076834.db2.gz GDAJVOPWCWXZHW-UHFFFAOYSA-N 0 0 331.706 3.459 10 5 EGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC12CCC2 ZINC000408384125 296168256 /nfs/dbraw/zinc/16/82/56/296168256.db2.gz DCNHORFFCXPONG-UHFFFAOYSA-N 0 0 325.162 3.126 10 5 EGBERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000378147877 169076069 /nfs/dbraw/zinc/07/60/69/169076069.db2.gz ZBWHKKNQVBKNPV-HNNXBMFYSA-N 0 0 325.368 3.146 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccco1 ZINC000377686375 169060334 /nfs/dbraw/zinc/06/03/34/169060334.db2.gz AQFPXNCXOIMHFH-CYBMUJFWSA-N 0 0 336.731 3.055 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000089828090 217854338 /nfs/dbraw/zinc/85/43/38/217854338.db2.gz HSQFIWPAJGESDP-QGZVFWFLSA-N 0 0 346.408 3.262 10 5 EGBERN Cc1nc(Sc2ccc(Cl)cc2[N+](=O)[O-])sc1CC(N)=O ZINC000009576085 211103890 /nfs/dbraw/zinc/10/38/90/211103890.db2.gz MVDPKPFCAYIUSX-UHFFFAOYSA-N 0 0 343.817 3.192 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s1 ZINC000094154899 218266994 /nfs/dbraw/zinc/26/69/94/218266994.db2.gz LEXDPGOKUKWRLS-UHFFFAOYSA-N 0 0 333.369 3.431 10 5 EGBERN Cc1ccnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000095348927 218283636 /nfs/dbraw/zinc/28/36/36/218283636.db2.gz PRPQLBGLHCLEOY-UHFFFAOYSA-N 0 0 338.776 3.077 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nccs1 ZINC000095451770 218396285 /nfs/dbraw/zinc/39/62/85/218396285.db2.gz ZPWMEKSFJZWDNK-GFCCVEGCSA-N 0 0 342.380 3.481 10 5 EGBERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095992501 218499507 /nfs/dbraw/zinc/49/95/07/218499507.db2.gz GVTSVPWABSZKPP-VIFPVBQESA-N 0 0 337.767 3.207 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC000268239208 251754013 /nfs/dbraw/zinc/75/40/13/251754013.db2.gz WNMLTQJDOQGIRO-GFCCVEGCSA-N 0 0 325.777 3.283 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000152900013 224028443 /nfs/dbraw/zinc/02/84/43/224028443.db2.gz WJFWGWGMSSORPR-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000268619808 252074133 /nfs/dbraw/zinc/07/41/33/252074133.db2.gz BFRDANCHGDTAPK-CKEIUWERSA-N 0 0 346.383 3.073 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128326817 285080365 /nfs/dbraw/zinc/08/03/65/285080365.db2.gz BOWWONOYFOJTCC-FZKQIMNGSA-N 0 0 327.384 3.274 10 5 EGBERN O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1[N+](=O)[O-] ZINC000129221579 285220562 /nfs/dbraw/zinc/22/05/62/285220562.db2.gz YQUCKOICBZUBAK-UHFFFAOYSA-N 0 0 325.299 3.006 10 5 EGBERN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])o1 ZINC000118700432 221171537 /nfs/dbraw/zinc/17/15/37/221171537.db2.gz BRORLCZWYIXGRT-KGLIPLIRSA-N 0 0 346.339 3.122 10 5 EGBERN COC(=O)CCCCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191391625 533364985 /nfs/dbraw/zinc/36/49/85/533364985.db2.gz HGGATCSSSBBHKH-UHFFFAOYSA-N 0 0 337.376 3.067 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1CCCO ZINC000052761551 296497778 /nfs/dbraw/zinc/49/77/78/296497778.db2.gz MFQOJQPGPCWPHE-NSHDSACASA-N 0 0 329.194 3.099 10 5 EGBERN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000338042401 141079885 /nfs/dbraw/zinc/07/98/85/141079885.db2.gz PJWVEFCDOQPRHO-UHFFFAOYSA-N 0 0 339.395 3.174 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000341173317 141131410 /nfs/dbraw/zinc/13/14/10/141131410.db2.gz GNLCLMDQGSSRCM-VXGBXAGGSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000344529452 141169397 /nfs/dbraw/zinc/16/93/97/141169397.db2.gz IKEBVDWFQDKKAQ-MRXNPFEDSA-N 0 0 339.395 3.071 10 5 EGBERN O=C(COc1ccc2c(c1F)CCC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000344576003 141175576 /nfs/dbraw/zinc/17/55/76/141175576.db2.gz GMDIGIIZDCYMTO-UHFFFAOYSA-N 0 0 329.283 3.125 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171642611 144008694 /nfs/dbraw/zinc/00/86/94/144008694.db2.gz DRLBKNASTFMENT-JTQLQIEISA-N 0 0 337.426 3.441 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000171647716 144008787 /nfs/dbraw/zinc/00/87/87/144008787.db2.gz IZZMQOPHKZJLLO-ZDUSSCGKSA-N 0 0 331.397 3.380 10 5 EGBERN Cn1cc(-c2cc(COc3ccc([N+](=O)[O-])cc3Cl)on2)cn1 ZINC000183948735 144082516 /nfs/dbraw/zinc/08/25/16/144082516.db2.gz XFVLDMKFCRWGMX-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN COc1ccc(CNc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000184254101 144089911 /nfs/dbraw/zinc/08/99/11/144089911.db2.gz CQVPJDVJTMRWIN-UHFFFAOYSA-N 0 0 330.319 3.241 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2c1cccc2F ZINC000184299304 144090444 /nfs/dbraw/zinc/09/04/44/144090444.db2.gz URRJHSAVPNLLDW-UHFFFAOYSA-N 0 0 325.299 3.418 10 5 EGBERN COC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccccc1 ZINC000186449142 144133622 /nfs/dbraw/zinc/13/36/22/144133622.db2.gz OSEQCELWLXFMSX-AWEZNQCLSA-N 0 0 346.408 3.434 10 5 EGBERN COc1ccc(C(C)=O)c(OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000351828692 144312478 /nfs/dbraw/zinc/31/24/78/144312478.db2.gz HQXSIZHSRTYZBC-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000363795828 144367642 /nfs/dbraw/zinc/36/76/42/144367642.db2.gz PGUQWHCWXOSVDW-LBPRGKRZSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000364021942 144384631 /nfs/dbraw/zinc/38/46/31/144384631.db2.gz XGRMZTYYLMSQNB-PBHICJAKSA-N 0 0 341.367 3.494 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000374347115 144539959 /nfs/dbraw/zinc/53/99/59/144539959.db2.gz BDIHTKLBBLDNFG-UHFFFAOYSA-N 0 0 347.321 3.288 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000341449584 155297244 /nfs/dbraw/zinc/29/72/44/155297244.db2.gz HSHULIGTBMPPMS-INIZCTEOSA-N 0 0 342.351 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116095894 152043303 /nfs/dbraw/zinc/04/33/03/152043303.db2.gz HCOJRRBWUOBVSI-DOMZBBRYSA-N 0 0 332.306 3.467 10 5 EGBERN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275404 152054902 /nfs/dbraw/zinc/05/49/02/152054902.db2.gz OLBJUKYAVSHQEA-CYBMUJFWSA-N 0 0 349.822 3.239 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117576399 152104053 /nfs/dbraw/zinc/10/40/53/152104053.db2.gz QAYVCPVVGCJXAF-QLJPJBMISA-N 0 0 329.308 3.074 10 5 EGBERN COc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000117578330 152104898 /nfs/dbraw/zinc/10/48/98/152104898.db2.gz DUHKINQZLLMVHF-GFCCVEGCSA-N 0 0 342.351 3.498 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC000117626879 152108031 /nfs/dbraw/zinc/10/80/31/152108031.db2.gz UXCDJOSCXDPMQB-HNNXBMFYSA-N 0 0 340.379 3.210 10 5 EGBERN C[C@@H](c1cccnc1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836516 152156245 /nfs/dbraw/zinc/15/62/45/152156245.db2.gz NNFXLVYUJKPBCH-HOTGVXAUSA-N 0 0 340.427 3.430 10 5 EGBERN CC(C)n1cnnc1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000118861370 152159232 /nfs/dbraw/zinc/15/92/32/152159232.db2.gz JETAFZUMBXLBLH-ZDUSSCGKSA-N 0 0 335.433 3.208 10 5 EGBERN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122185549 152396191 /nfs/dbraw/zinc/39/61/91/152396191.db2.gz RAAWZLBCTQRWBA-HNNXBMFYSA-N 0 0 330.388 3.106 10 5 EGBERN CCc1onc(C)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000153271200 152531924 /nfs/dbraw/zinc/53/19/24/152531924.db2.gz UUJAQCHNBUZRGK-UHFFFAOYSA-N 0 0 331.372 3.206 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000156002893 152651248 /nfs/dbraw/zinc/65/12/48/152651248.db2.gz KZQRMYWTHNCMRD-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC2(CCCCC2)C1 ZINC000176513894 152925923 /nfs/dbraw/zinc/92/59/23/152925923.db2.gz QEPDNGYHXFKPGW-UHFFFAOYSA-N 0 0 335.429 3.190 10 5 EGBERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000189463144 153071758 /nfs/dbraw/zinc/07/17/58/153071758.db2.gz UGXXJDOTTYLOCS-QGZVFWFLSA-N 0 0 342.395 3.233 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000190129748 153119087 /nfs/dbraw/zinc/11/90/87/153119087.db2.gz WHSQSFLIQYLSJC-MRXNPFEDSA-N 0 0 340.379 3.394 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190386525 153135269 /nfs/dbraw/zinc/13/52/69/153135269.db2.gz JUXLDTMGISSXOT-AAEUAGOBSA-N 0 0 332.360 3.267 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190471730 153144736 /nfs/dbraw/zinc/14/47/36/153144736.db2.gz SBFDWFAPESGZEP-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000190617914 153152181 /nfs/dbraw/zinc/15/21/81/153152181.db2.gz XDCPPCIUBBUGEZ-HNNXBMFYSA-N 0 0 330.315 3.296 10 5 EGBERN COc1cc(C(=O)NCc2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000191188979 153179108 /nfs/dbraw/zinc/17/91/08/153179108.db2.gz ZGGCDBHWAMRTTJ-UHFFFAOYSA-N 0 0 326.352 3.411 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000193378566 153289801 /nfs/dbraw/zinc/28/98/01/153289801.db2.gz YBKFQYZHDYXPGV-CYBMUJFWSA-N 0 0 340.383 3.032 10 5 EGBERN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112178 154177167 /nfs/dbraw/zinc/17/71/67/154177167.db2.gz HBWGKCLEVQBMQK-CHWSQXEVSA-N 0 0 329.404 3.325 10 5 EGBERN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000328471241 154189607 /nfs/dbraw/zinc/18/96/07/154189607.db2.gz NFSRNWORPFBGGD-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN C[C@H]1C[C@@H](CSCCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000336975484 154252226 /nfs/dbraw/zinc/25/22/26/154252226.db2.gz VLRXJBHOFGOLKF-STQMWFEESA-N 0 0 338.429 3.472 10 5 EGBERN CS[C@@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341727960 155446013 /nfs/dbraw/zinc/44/60/13/155446013.db2.gz PLJJUZJCSNCTLB-ZETCQYMHSA-N 0 0 333.207 3.437 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000340099387 155097514 /nfs/dbraw/zinc/09/75/14/155097514.db2.gz OOWMVLMWWBUIBT-UHFFFAOYSA-N 0 0 347.298 3.302 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000341023266 155125354 /nfs/dbraw/zinc/12/53/54/155125354.db2.gz HILOSXZBBCHENR-ZDUSSCGKSA-N 0 0 345.399 3.359 10 5 EGBERN CCOC1CC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000345444205 156108317 /nfs/dbraw/zinc/10/83/17/156108317.db2.gz WQPNJWMAPBSIMD-UHFFFAOYSA-N 0 0 343.177 3.111 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345458934 156117366 /nfs/dbraw/zinc/11/73/66/156117366.db2.gz GMUROTZTBUGFGM-LBPRGKRZSA-N 0 0 341.367 3.277 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000346881517 156176194 /nfs/dbraw/zinc/17/61/94/156176194.db2.gz FIXNNZIJCTZOKP-GFCCVEGCSA-N 0 0 329.278 3.007 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356465870 156705071 /nfs/dbraw/zinc/70/50/71/156705071.db2.gz AUMONNIMLFTCFU-WMZOPIPTSA-N 0 0 326.352 3.063 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCCOCCOc1ccccc1 ZINC000078936363 161786578 /nfs/dbraw/zinc/78/65/78/161786578.db2.gz XIGSUZIWSNEMLG-UHFFFAOYSA-N 0 0 333.340 3.078 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(-c4ccoc4)no3)c2)cc1 ZINC000113775057 162216795 /nfs/dbraw/zinc/21/67/95/162216795.db2.gz LXLCAVYQJSUSLK-UHFFFAOYSA-N 0 0 337.295 3.150 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000114145065 162222688 /nfs/dbraw/zinc/22/26/88/162222688.db2.gz FJWOWIDMTOZDBR-AWEZNQCLSA-N 0 0 342.351 3.116 10 5 EGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc(C2CC2)n1 ZINC000125645537 162281940 /nfs/dbraw/zinc/28/19/40/162281940.db2.gz YSFDGLIDTMLKOK-UHFFFAOYSA-N 0 0 349.350 3.371 10 5 EGBERN Cc1sc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1[N+](=O)[O-] ZINC000131982896 162418274 /nfs/dbraw/zinc/41/82/74/162418274.db2.gz VLHJWJHGOMPBAM-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000150833954 162554640 /nfs/dbraw/zinc/55/46/40/162554640.db2.gz OIWUOILKHBMIES-UHFFFAOYSA-N 0 0 331.759 3.371 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000181061916 162771596 /nfs/dbraw/zinc/77/15/96/162771596.db2.gz QDBPMDJJXIKYMR-ZDUSSCGKSA-N 0 0 338.429 3.346 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000181241794 162779981 /nfs/dbraw/zinc/77/99/81/162779981.db2.gz QLXIOLJYHDPNJV-SFHVURJKSA-N 0 0 344.367 3.286 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CCCO)c2)c1 ZINC000336878606 163085529 /nfs/dbraw/zinc/08/55/29/163085529.db2.gz GWXKONRDKUKICT-UHFFFAOYSA-N 0 0 346.408 3.494 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000338104331 163196244 /nfs/dbraw/zinc/19/62/44/163196244.db2.gz XHSJBNCXZDEMPL-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000340756219 163661278 /nfs/dbraw/zinc/66/12/78/163661278.db2.gz VONBANSRWCQFOZ-UHFFFAOYSA-N 0 0 345.380 3.344 10 5 EGBERN CSCCCN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000342178911 163806222 /nfs/dbraw/zinc/80/62/22/163806222.db2.gz KIMKYYMYTVCMJM-UHFFFAOYSA-N 0 0 336.335 3.439 10 5 EGBERN O=C(NCC1Cc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343644944 164002209 /nfs/dbraw/zinc/00/22/09/164002209.db2.gz QWBPPYMHUBMZFP-UHFFFAOYSA-N 0 0 335.363 3.221 10 5 EGBERN Cc1ccc2c(c1)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000344055733 164092425 /nfs/dbraw/zinc/09/24/25/164092425.db2.gz KXFGIEQPFJVRRB-UHFFFAOYSA-N 0 0 346.333 3.309 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)OC ZINC000344360559 164164075 /nfs/dbraw/zinc/16/40/75/164164075.db2.gz YMXUKRKZJGNZJR-QWRGUYRKSA-N 0 0 326.418 3.250 10 5 EGBERN CCOc1c(OC)cc(CNc2ccc([N+](=O)[O-])nc2)cc1OC ZINC000344431256 164177344 /nfs/dbraw/zinc/17/73/44/164177344.db2.gz FLXVEPJHSMVCAW-UHFFFAOYSA-N 0 0 333.344 3.018 10 5 EGBERN COc1cc(-c2nc(-c3cccnc3OC)no2)cc([N+](=O)[O-])c1C ZINC000346086795 164333446 /nfs/dbraw/zinc/33/34/46/164333446.db2.gz WAPRBPLGIOQBRH-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nccn2CC(F)(F)F)c(Cl)c1 ZINC000346395880 164380066 /nfs/dbraw/zinc/38/00/66/164380066.db2.gz HOGBASUDLHKXCF-UHFFFAOYSA-N 0 0 335.673 3.014 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N(CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000347209165 164460975 /nfs/dbraw/zinc/46/09/75/164460975.db2.gz HITHWDRKZPTFES-UHFFFAOYSA-N 0 0 335.404 3.271 10 5 EGBERN COc1ccc(Cl)cc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347394984 164493439 /nfs/dbraw/zinc/49/34/39/164493439.db2.gz BVGYSZUWZQEYPA-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN Cc1sccc1CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000348320782 164707541 /nfs/dbraw/zinc/70/75/41/164707541.db2.gz CIOAFYABFNXVHF-UHFFFAOYSA-N 0 0 342.380 3.332 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000348652674 164792740 /nfs/dbraw/zinc/79/27/40/164792740.db2.gz JSEPMNCKFHRIHV-QWRGUYRKSA-N 0 0 345.321 3.102 10 5 EGBERN COC(=O)c1cc(NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1C ZINC000352038975 165204450 /nfs/dbraw/zinc/20/44/50/165204450.db2.gz BFRMPLYDEPQLIS-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000352217630 165289927 /nfs/dbraw/zinc/28/99/27/165289927.db2.gz QTZNZDXHHOPRGG-PELKAZGASA-N 0 0 341.289 3.489 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000352253760 165310974 /nfs/dbraw/zinc/31/09/74/165310974.db2.gz OFMQQIITKUFWKZ-KRWDZBQOSA-N 0 0 333.388 3.328 10 5 EGBERN Cc1c(NC(=O)NCc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000352411141 165388881 /nfs/dbraw/zinc/38/88/81/165388881.db2.gz WLAWZEQGEPXEJU-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ncccc1[O-] ZINC000355283289 166153098 /nfs/dbraw/zinc/15/30/98/166153098.db2.gz QWCYKMNJVARGBB-DZGCQCFKSA-N 0 0 327.384 3.196 10 5 EGBERN Cc1sc(C(=O)NCC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000355516128 166228542 /nfs/dbraw/zinc/22/85/42/166228542.db2.gz QQZKVRAGVIQWRW-UHFFFAOYSA-N 0 0 326.324 3.487 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000355907080 166344322 /nfs/dbraw/zinc/34/43/22/166344322.db2.gz WNOHSPDDEJBQDG-XPKDYRNWSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)s1 ZINC000355927485 166349852 /nfs/dbraw/zinc/34/98/52/166349852.db2.gz JDLPKXNKGNEZBN-UHFFFAOYSA-N 0 0 347.274 3.088 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000355937023 166353104 /nfs/dbraw/zinc/35/31/04/166353104.db2.gz GLRWIWWKRNEIJS-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000355944984 166356178 /nfs/dbraw/zinc/35/61/78/166356178.db2.gz RLHLJUYCJVJGQJ-RDBSUJKOSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1cc(C)nc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)c1 ZINC000356989081 166557062 /nfs/dbraw/zinc/55/70/62/166557062.db2.gz VVOPXDOILUIOHB-UHFFFAOYSA-N 0 0 339.355 3.311 10 5 EGBERN CCc1cc2nncn2c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000357096644 166583728 /nfs/dbraw/zinc/58/37/28/166583728.db2.gz NHHAWZHKTUSMLC-JTQLQIEISA-N 0 0 329.385 3.448 10 5 EGBERN COc1cccnc1N(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000358876220 166991487 /nfs/dbraw/zinc/99/14/87/166991487.db2.gz BFKYBPXOSHYBKT-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN COc1ccccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000358875337 166991542 /nfs/dbraw/zinc/99/15/42/166991542.db2.gz WHQYMCIGZPCYKZ-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(Cn3cccn3)c2)n1 ZINC000359079468 167060643 /nfs/dbraw/zinc/06/06/43/167060643.db2.gz BCQDVDXNPLTJCG-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1cnc2ccccc2c1 ZINC000359133917 167077099 /nfs/dbraw/zinc/07/70/99/167077099.db2.gz BVHUBTQPWIMRJV-UHFFFAOYSA-N 0 0 349.390 3.387 10 5 EGBERN CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000359144902 167081070 /nfs/dbraw/zinc/08/10/70/167081070.db2.gz SUMXPWWDWFKQGE-OAHLLOKOSA-N 0 0 345.399 3.394 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000359169691 167087520 /nfs/dbraw/zinc/08/75/20/167087520.db2.gz BPVQDCDNCRCEKB-KDOFPFPSSA-N 0 0 331.416 3.070 10 5 EGBERN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000359337492 167130065 /nfs/dbraw/zinc/13/00/65/167130065.db2.gz XQOPOBVDSOZHHG-GFCCVEGCSA-N 0 0 343.387 3.445 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1Cc2ccccc2S1 ZINC000359398031 167145733 /nfs/dbraw/zinc/14/57/33/167145733.db2.gz DPZIGZYTNRLTQB-INIZCTEOSA-N 0 0 328.393 3.270 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN[C@@H](CO)c3ccc(Cl)cc3)nc2c1 ZINC000359557725 167192737 /nfs/dbraw/zinc/19/27/37/167192737.db2.gz NTXZYPXARCXILX-AWEZNQCLSA-N 0 0 347.758 3.213 10 5 EGBERN O=C(NCCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000359798089 167235041 /nfs/dbraw/zinc/23/50/41/167235041.db2.gz SJWSOACLFZXSAY-UHFFFAOYSA-N 0 0 332.278 3.208 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000359894785 167260415 /nfs/dbraw/zinc/26/04/15/167260415.db2.gz FPEWMTIQACTBSD-HNNXBMFYSA-N 0 0 327.384 3.205 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000360393786 167319027 /nfs/dbraw/zinc/31/90/27/167319027.db2.gz JIIZYTVAMKWINT-JTQLQIEISA-N 0 0 336.373 3.333 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000360393213 167319254 /nfs/dbraw/zinc/31/92/54/167319254.db2.gz IAOWABJEWLRLJW-QGZVFWFLSA-N 0 0 349.387 3.028 10 5 EGBERN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000360512744 167346054 /nfs/dbraw/zinc/34/60/54/167346054.db2.gz UFOROTOMUWUICO-ZDUSSCGKSA-N 0 0 346.387 3.043 10 5 EGBERN Cn1cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000360692241 167390118 /nfs/dbraw/zinc/39/01/18/167390118.db2.gz VFOICNILROWRFI-AWEZNQCLSA-N 0 0 331.376 3.237 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000360881467 167437086 /nfs/dbraw/zinc/43/70/86/167437086.db2.gz BBXKBIUIJHPWSX-GXFFZTMASA-N 0 0 346.305 3.163 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364917090 168001712 /nfs/dbraw/zinc/00/17/12/168001712.db2.gz KAZXDRKCEQKFKD-DIKSDDLMSA-N 0 0 344.411 3.318 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000366122211 168085619 /nfs/dbraw/zinc/08/56/19/168085619.db2.gz CZYRYFXJIBPQNM-BZNIZROVSA-N 0 0 329.331 3.352 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC[C@@H]1C ZINC000367740211 168265190 /nfs/dbraw/zinc/26/51/90/168265190.db2.gz JZEJQDBYLKFKHH-LBPRGKRZSA-N 0 0 338.429 3.346 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1OC ZINC000173915944 265012122 /nfs/dbraw/zinc/01/21/22/265012122.db2.gz DBWDVQJOHZCZTJ-GFCCVEGCSA-N 0 0 331.372 3.359 10 5 EGBERN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174333874 265043372 /nfs/dbraw/zinc/04/33/72/265043372.db2.gz STNZDLVTLUSIOO-NSHDSACASA-N 0 0 349.337 3.205 10 5 EGBERN CC[C@H](NC(=O)NCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000175942181 265146155 /nfs/dbraw/zinc/14/61/55/265146155.db2.gz ZVSOZWIFWQOYPR-INIZCTEOSA-N 0 0 329.356 3.251 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000177804846 265279188 /nfs/dbraw/zinc/27/91/88/265279188.db2.gz ZTZNJPWFKLPTOF-CJNGLKHVSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1ccn(-c2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000178026021 265291157 /nfs/dbraw/zinc/29/11/57/265291157.db2.gz FDTDGJQBEUIFRN-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN C[C@@H](c1ccccc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178618522 265329603 /nfs/dbraw/zinc/32/96/03/265329603.db2.gz HYXIKRUYPDXFLF-ZDUSSCGKSA-N 0 0 334.397 3.118 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000186782601 265552500 /nfs/dbraw/zinc/55/25/00/265552500.db2.gz VCGCTSSHENQMIS-SECBINFHSA-N 0 0 347.293 3.410 10 5 EGBERN Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190698309 265856490 /nfs/dbraw/zinc/85/64/90/265856490.db2.gz FVQUEDSKBQTWMA-UHFFFAOYSA-N 0 0 344.415 3.041 10 5 EGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000191501465 265908578 /nfs/dbraw/zinc/90/85/78/265908578.db2.gz KYJDCVABOKKRKQ-LBPRGKRZSA-N 0 0 336.779 3.346 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000191580508 265916100 /nfs/dbraw/zinc/91/61/00/265916100.db2.gz RSWNPCRVEXPCAD-CQSZACIVSA-N 0 0 342.399 3.354 10 5 EGBERN COc1cc(SC)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000193255654 266019793 /nfs/dbraw/zinc/01/97/93/266019793.db2.gz DYOBAHARBYVHNJ-UHFFFAOYSA-N 0 0 333.369 3.281 10 5 EGBERN Cc1c(NCC(=O)N2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000193401527 266030336 /nfs/dbraw/zinc/03/03/36/266030336.db2.gz OMCCVESFFDEUPB-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000193722668 266055750 /nfs/dbraw/zinc/05/57/50/266055750.db2.gz UQMRAABTEZBILM-KRWDZBQOSA-N 0 0 349.431 3.337 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000195123060 266161557 /nfs/dbraw/zinc/16/15/57/266161557.db2.gz LBSXZDYCARAFSQ-UHFFFAOYSA-N 0 0 342.380 3.180 10 5 EGBERN Cc1cccc([C@@H]2CCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000270770627 266554667 /nfs/dbraw/zinc/55/46/67/266554667.db2.gz HTRYVEDHSMRBBS-HNNXBMFYSA-N 0 0 342.399 3.313 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CCC(F)(F)F)c2)n1 ZINC000271357055 266647214 /nfs/dbraw/zinc/64/72/14/266647214.db2.gz FTPVDSUVKAVKKF-UHFFFAOYSA-N 0 0 342.277 3.076 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272334875 266819682 /nfs/dbraw/zinc/81/96/82/266819682.db2.gz LGGSQEPLEDIMGG-ZFWWWQNUSA-N 0 0 335.404 3.164 10 5 EGBERN COCC[C@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272498815 266856447 /nfs/dbraw/zinc/85/64/47/266856447.db2.gz HIZHZKQOFVZQQY-OCCSQVGLSA-N 0 0 347.371 3.326 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000273532807 267054687 /nfs/dbraw/zinc/05/46/87/267054687.db2.gz ZXJQSTNICMKWDZ-ZQHYZAEZSA-N 0 0 346.427 3.303 10 5 EGBERN Cc1nc(C2CC2)oc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000273719600 267091101 /nfs/dbraw/zinc/09/11/01/267091101.db2.gz RMVLRSIWCNEMNS-UHFFFAOYSA-N 0 0 327.340 3.362 10 5 EGBERN CC(C)(c1nc(C[C@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000273819879 267116726 /nfs/dbraw/zinc/11/67/26/267116726.db2.gz CSZPPRAYSQFELK-LLVKDONJSA-N 0 0 335.335 3.164 10 5 EGBERN CC(C)c1ncc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)s1 ZINC000273861872 267127055 /nfs/dbraw/zinc/12/70/55/267127055.db2.gz GYWFCOYUVNDJSB-UHFFFAOYSA-N 0 0 331.357 3.211 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274904065 267304430 /nfs/dbraw/zinc/30/44/30/267304430.db2.gz HVEGEXTVKDDELO-LBPRGKRZSA-N 0 0 343.387 3.127 10 5 EGBERN CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000011715916 275120240 /nfs/dbraw/zinc/12/02/40/275120240.db2.gz FEWCMHLPDSDAFR-UHFFFAOYSA-N 0 0 341.367 3.371 10 5 EGBERN CCCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000181724406 275208949 /nfs/dbraw/zinc/20/89/49/275208949.db2.gz VXBVBCWMCOFYSS-UHFFFAOYSA-N 0 0 340.286 3.124 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1cccc(C)c1[N+](=O)[O-])n2C ZINC000184447175 275212173 /nfs/dbraw/zinc/21/21/73/275212173.db2.gz WQJRAWDSDSVMFH-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN CC(C)C[C@@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184977133 275214228 /nfs/dbraw/zinc/21/42/28/275214228.db2.gz LWJUKUXAPXYOFT-CYBMUJFWSA-N 0 0 345.399 3.415 10 5 EGBERN CCCCc1nc(COc2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC000184972944 275214258 /nfs/dbraw/zinc/21/42/58/275214258.db2.gz BZSOLXUAPWGJIT-UHFFFAOYSA-N 0 0 328.328 3.448 10 5 EGBERN CNC(=O)c1cccc(COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184981597 275214358 /nfs/dbraw/zinc/21/43/58/275214358.db2.gz XSXOVPJCNWLLDR-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(C(F)F)cc1 ZINC000185407065 275215212 /nfs/dbraw/zinc/21/52/12/275215212.db2.gz RVCYCBNQBMXBGK-UHFFFAOYSA-N 0 0 335.310 3.261 10 5 EGBERN Cc1ccccc1C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194930778 275230487 /nfs/dbraw/zinc/23/04/87/275230487.db2.gz ASAJZSZEWPAGNV-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000278828608 275278591 /nfs/dbraw/zinc/27/85/91/275278591.db2.gz OTNFWMHALWWGOJ-UHFFFAOYSA-N 0 0 347.415 3.276 10 5 EGBERN O=[N+]([O-])c1cc(CN2CC[C@@H](CC(F)(F)F)C2)c2c(c1)COCO2 ZINC000278856784 275281504 /nfs/dbraw/zinc/28/15/04/275281504.db2.gz RVDRQWVYDZEVQE-JTQLQIEISA-N 0 0 346.305 3.236 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)Nc2cn(C)nc2C(C)C)cccc1[N+](=O)[O-] ZINC000280363696 275442032 /nfs/dbraw/zinc/44/20/32/275442032.db2.gz UDUWTTUVKQUAIG-GFCCVEGCSA-N 0 0 345.403 3.199 10 5 EGBERN Cc1c(NC(=O)NC2CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000280645505 275476827 /nfs/dbraw/zinc/47/68/27/275476827.db2.gz BPBOCZPXLYGPHK-UHFFFAOYSA-N 0 0 328.166 3.340 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000281398796 275546322 /nfs/dbraw/zinc/54/63/22/275546322.db2.gz VYPIKCQNJXHLIN-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN Cn1c2c(nc1[C@H]1CCCN1c1ncc([N+](=O)[O-])s1)CCCC2 ZINC000281772092 275574840 /nfs/dbraw/zinc/57/48/40/275574840.db2.gz DGBPQKKSUNDGJQ-GFCCVEGCSA-N 0 0 333.417 3.005 10 5 EGBERN O=c1[nH]c(NCCC[C@@H]2CCCCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000286522091 276011474 /nfs/dbraw/zinc/01/14/74/276011474.db2.gz BYWQKRTUHDFNMO-LBPRGKRZSA-N 0 0 332.360 3.005 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000269384729 276041991 /nfs/dbraw/zinc/04/19/91/276041991.db2.gz KKSCEJKPFXMXRM-UHFFFAOYSA-N 0 0 330.344 3.019 10 5 EGBERN Cc1sc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289172352 276299773 /nfs/dbraw/zinc/29/97/73/276299773.db2.gz ZOHWMSUISRFBJV-UHFFFAOYSA-N 0 0 349.368 3.188 10 5 EGBERN COCC1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCC1 ZINC000290642858 276523543 /nfs/dbraw/zinc/52/35/43/276523543.db2.gz FWPNFGQUNPAGCB-UHFFFAOYSA-N 0 0 346.387 3.252 10 5 EGBERN CC(C)(CCc1noc(Cc2cnc3ccccc3c2)n1)[N+](=O)[O-] ZINC000291123794 276592995 /nfs/dbraw/zinc/59/29/95/276592995.db2.gz VHNATRWAJZAMOI-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000291651587 276671727 /nfs/dbraw/zinc/67/17/27/276671727.db2.gz DVCOPJXHRVBHDF-UHFFFAOYSA-N 0 0 329.360 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000292065130 276728525 /nfs/dbraw/zinc/72/85/25/276728525.db2.gz BZPHIMJJVJAROO-BZNIZROVSA-N 0 0 346.408 3.397 10 5 EGBERN CCc1noc(C)c1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000292727570 276863887 /nfs/dbraw/zinc/86/38/87/276863887.db2.gz HWLHTOPFAXEVEJ-UHFFFAOYSA-N 0 0 330.266 3.480 10 5 EGBERN CSc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000193589678 278171183 /nfs/dbraw/zinc/17/11/83/278171183.db2.gz TWKDLWIINLPIED-GXTWGEPZSA-N 0 0 336.413 3.100 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000345884586 279434219 /nfs/dbraw/zinc/43/42/19/279434219.db2.gz LKFPDEZAJJATIO-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN O=C1S/C(=C\c2ccncc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000006615620 280313073 /nfs/dbraw/zinc/31/30/73/280313073.db2.gz JHIFPDJTOYXPJP-ZROIWOOFSA-N 0 0 341.348 3.226 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000375176148 280658647 /nfs/dbraw/zinc/65/86/47/280658647.db2.gz NQSGOLIAOOPJQB-INIZCTEOSA-N 0 0 342.399 3.488 10 5 EGBERN Cc1cc2nc(-n3ncc4ccc([N+](=O)[O-])cc43)c3ccccc3n2n1 ZINC000007779753 280704371 /nfs/dbraw/zinc/70/43/71/280704371.db2.gz NGMKWPQFLMNLJI-UHFFFAOYSA-N 0 0 344.334 3.438 10 5 EGBERN Cc1ccncc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000359931892 281489407 /nfs/dbraw/zinc/48/94/07/281489407.db2.gz MMPPOOUNAQSHRI-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N(c1ccc(C)cc1)C(C)C ZINC000097034909 288756800 /nfs/dbraw/zinc/75/68/00/288756800.db2.gz MBHQLOCDKNMLBT-UHFFFAOYSA-N 0 0 330.388 3.483 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000345531982 301856742 /nfs/dbraw/zinc/85/67/42/301856742.db2.gz PCRIVRGDBIFAMA-CQSZACIVSA-N 0 0 332.400 3.463 10 5 EGBERN Cc1ccnc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000266305379 302275698 /nfs/dbraw/zinc/27/56/98/302275698.db2.gz ZGPBXYXXJRTBJR-SWLSCSKDSA-N 0 0 331.347 3.404 10 5 EGBERN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(F)cc1 ZINC000051532660 307331141 /nfs/dbraw/zinc/33/11/41/307331141.db2.gz NSOSFDSEBXLPDO-UHFFFAOYSA-N 0 0 342.330 3.416 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c2cccnc12 ZINC000057367177 307346379 /nfs/dbraw/zinc/34/63/79/307346379.db2.gz JGHUXRRBMJWSDA-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000064662048 307357615 /nfs/dbraw/zinc/35/76/15/307357615.db2.gz BOAXPZGXLQHBBY-UHFFFAOYSA-N 0 0 344.396 3.336 10 5 EGBERN COc1ccc2c(CC(=O)NCc3cccc([N+](=O)[O-])c3)coc2c1 ZINC000067072326 307364666 /nfs/dbraw/zinc/36/46/66/307364666.db2.gz VTOYFQRVFSEEJI-UHFFFAOYSA-N 0 0 340.335 3.209 10 5 EGBERN CC(C)N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000068913088 307373107 /nfs/dbraw/zinc/37/31/07/307373107.db2.gz NHXMDEFZOXWIMR-UHFFFAOYSA-N 0 0 326.399 3.260 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CCC(C)C)c1 ZINC000075125201 307397935 /nfs/dbraw/zinc/39/79/35/307397935.db2.gz GOSPYVQEEXIWNR-MRXNPFEDSA-N 0 0 340.445 3.234 10 5 EGBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000078516532 307419522 /nfs/dbraw/zinc/41/95/22/307419522.db2.gz IGLPNBDKMXQYJE-UHFFFAOYSA-N 0 0 348.406 3.465 10 5 EGBERN CCOC(=O)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000089657128 307450557 /nfs/dbraw/zinc/45/05/57/307450557.db2.gz FVFNPUCCTJOJDB-VIFPVBQESA-N 0 0 332.303 3.340 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089835464 307453670 /nfs/dbraw/zinc/45/36/70/307453670.db2.gz SEYPOLPOTNYXPN-MSOLQXFVSA-N 0 0 340.379 3.066 10 5 EGBERN CCOc1ccc(C(=O)N(CC)CCc2nccs2)cc1[N+](=O)[O-] ZINC000131767638 307648991 /nfs/dbraw/zinc/64/89/91/307648991.db2.gz ZXFMGZCZQGXLPL-UHFFFAOYSA-N 0 0 349.412 3.155 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCC(F)F)n1 ZINC000133265879 307669848 /nfs/dbraw/zinc/66/98/48/307669848.db2.gz MTNBGOWRCDRZAF-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134566912 307690079 /nfs/dbraw/zinc/69/00/79/307690079.db2.gz RQOHOTLZCLPVIH-XHDPSFHLSA-N 0 0 340.807 3.309 10 5 EGBERN CS(=O)(=O)c1cc(SCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000155682030 307818635 /nfs/dbraw/zinc/81/86/35/307818635.db2.gz XXBHOHZDMZWCOZ-UHFFFAOYSA-N 0 0 337.422 3.333 10 5 EGBERN CC[C@H](C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000155818753 307821377 /nfs/dbraw/zinc/82/13/77/307821377.db2.gz ILDJYQCLVMJEJP-LBPRGKRZSA-N 0 0 343.383 3.217 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000414380110 309076578 /nfs/dbraw/zinc/07/65/78/309076578.db2.gz KNIRPNBKKQFARF-UHFFFAOYSA-N 0 0 334.397 3.345 10 5 EGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248422760 308002981 /nfs/dbraw/zinc/00/29/81/308002981.db2.gz CRVWGPGVQJYDMW-VNHYZAJKSA-N 0 0 338.429 3.078 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC/C=C\c1ccccc1 ZINC000255044701 308038437 /nfs/dbraw/zinc/03/84/37/308038437.db2.gz MEAQZSGTKUTNIK-DAXSKMNVSA-N 0 0 335.363 3.448 10 5 EGBERN CCOC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292946990 308083097 /nfs/dbraw/zinc/08/30/97/308083097.db2.gz BTJLMXIUSYAYSW-UHFFFAOYSA-N 0 0 334.294 3.045 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000293033117 308091997 /nfs/dbraw/zinc/09/19/97/308091997.db2.gz RRCDUSPZXWJYJF-NSHDSACASA-N 0 0 347.318 3.323 10 5 EGBERN COc1cc(C(=O)Nc2cccc(C3CC3)n2)cc([N+](=O)[O-])c1C ZINC000293804365 308163312 /nfs/dbraw/zinc/16/33/12/308163312.db2.gz DBJKHULFFBBELF-UHFFFAOYSA-N 0 0 327.340 3.437 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294804121 308258960 /nfs/dbraw/zinc/25/89/60/308258960.db2.gz CCSLHXYNHXAECE-FZMZJTMJSA-N 0 0 336.363 3.441 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000295076889 308288552 /nfs/dbraw/zinc/28/85/52/308288552.db2.gz XCFWPTHYOORXLZ-LLVKDONJSA-N 0 0 328.796 3.036 10 5 EGBERN Cc1ccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000295085497 308289576 /nfs/dbraw/zinc/28/95/76/308289576.db2.gz DUGMNZSECHBTAD-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN Cc1cc(C(=O)N2CCC3(CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000295769158 308357992 /nfs/dbraw/zinc/35/79/92/308357992.db2.gz JNWUSVZCIJEBAR-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC ZINC000296013547 308384699 /nfs/dbraw/zinc/38/46/99/308384699.db2.gz LETIMWAWDFOOQT-RNCFNFMXSA-N 0 0 328.796 3.348 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000296853485 308473933 /nfs/dbraw/zinc/47/39/33/308473933.db2.gz IVJVEIQDYZXUSG-GHMZBOCLSA-N 0 0 345.321 3.196 10 5 EGBERN CCn1cc(C2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000299558673 308679376 /nfs/dbraw/zinc/67/93/76/308679376.db2.gz DSSIUQPMSOTZAH-UHFFFAOYSA-N 0 0 342.399 3.398 10 5 EGBERN CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301179915 308690895 /nfs/dbraw/zinc/69/08/95/308690895.db2.gz AOOJBJRMGOALHO-ZDUSSCGKSA-N 0 0 347.806 3.143 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CCCN2c2ccccc2[N+](=O)[O-])cc1 ZINC000301285830 308695015 /nfs/dbraw/zinc/69/50/15/308695015.db2.gz RKMJQIHLXPMSGE-KRWDZBQOSA-N 0 0 341.367 3.211 10 5 EGBERN CCOC(=O)c1cc(NCc2c(C)cc(C)[nH]c2=O)ccc1[N+](=O)[O-] ZINC000301576415 308705917 /nfs/dbraw/zinc/70/59/17/308705917.db2.gz NVQFZCYQSAFEEM-UHFFFAOYSA-N 0 0 345.355 3.101 10 5 EGBERN C[C@]1(c2ccccc2)CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000301653260 308709212 /nfs/dbraw/zinc/70/92/12/308709212.db2.gz RBOZJZCPVDSCOL-MRXNPFEDSA-N 0 0 333.775 3.395 10 5 EGBERN Cc1nn(C)c(NC[C@@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000301693781 308711145 /nfs/dbraw/zinc/71/11/45/308711145.db2.gz ADJCKPCMMGKJJU-SECBINFHSA-N 0 0 331.401 3.462 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)c(Cl)c1 ZINC000301868401 308719237 /nfs/dbraw/zinc/71/92/37/308719237.db2.gz GPDPRMCIMHLPCK-CYBMUJFWSA-N 0 0 349.774 3.423 10 5 EGBERN CN(Cc1ccc(Cl)c(F)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301912649 308721386 /nfs/dbraw/zinc/72/13/86/308721386.db2.gz CEXXRNQNBTVFTC-UHFFFAOYSA-N 0 0 335.726 3.066 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943412 308722622 /nfs/dbraw/zinc/72/26/22/308722622.db2.gz YIFOBHCXZHIUKU-JTQLQIEISA-N 0 0 346.474 3.465 10 5 EGBERN C[C@@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000301954919 308723039 /nfs/dbraw/zinc/72/30/39/308723039.db2.gz JYRDLBDYOKJOAM-JMCQJSRRSA-N 0 0 338.713 3.474 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[S@](C)=O)c2)c1 ZINC000302116573 308729617 /nfs/dbraw/zinc/72/96/17/308729617.db2.gz WHVQPQJKCCJPSB-DEOSSOPVSA-N 0 0 348.380 3.004 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000302352116 308736205 /nfs/dbraw/zinc/73/62/05/308736205.db2.gz BUYVUVBARALBRY-CYBMUJFWSA-N 0 0 335.404 3.103 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(F)c(F)c1 ZINC000302718424 308742855 /nfs/dbraw/zinc/74/28/55/308742855.db2.gz NZESDJMTWCOBNZ-UHFFFAOYSA-N 0 0 345.348 3.428 10 5 EGBERN COc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410348806 308916494 /nfs/dbraw/zinc/91/64/94/308916494.db2.gz BATDGVLYPLLHFX-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CCOc1cc(C(=O)NC2(C3(C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000411060442 308924982 /nfs/dbraw/zinc/92/49/82/308924982.db2.gz GYZOTBKLNAQKEA-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000412347173 308982192 /nfs/dbraw/zinc/98/21/92/308982192.db2.gz VJTRYBJQJXFMMK-SFHVURJKSA-N 0 0 348.399 3.025 10 5 EGBERN C[C@]12CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000412362071 308982933 /nfs/dbraw/zinc/98/29/33/308982933.db2.gz UHFSFJJEFPXYBG-NHIYQJMISA-N 0 0 336.338 3.202 10 5 EGBERN CCOc1cc(C(=O)N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000412765220 309001657 /nfs/dbraw/zinc/00/16/57/309001657.db2.gz AEWDLSZUVXHJGQ-LLVKDONJSA-N 0 0 336.388 3.263 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000412787242 309002645 /nfs/dbraw/zinc/00/26/45/309002645.db2.gz WZVHMROYGCTBLC-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1O ZINC000413227180 309022698 /nfs/dbraw/zinc/02/26/98/309022698.db2.gz OZCOBYDMRZSGJX-PWSUYJOCSA-N 0 0 347.337 3.242 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413260731 309024030 /nfs/dbraw/zinc/02/40/30/309024030.db2.gz DDTPBHZQAOCXNJ-BDAKNGLRSA-N 0 0 347.293 3.152 10 5 EGBERN O=[N+]([O-])c1cnc(NCC2(CF)CCOCC2)c(C(F)(F)F)c1 ZINC000413320788 309026662 /nfs/dbraw/zinc/02/66/62/309026662.db2.gz VNXFDYOSXIWPPW-UHFFFAOYSA-N 0 0 337.273 3.187 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000413359591 309028660 /nfs/dbraw/zinc/02/86/60/309028660.db2.gz XUXIYQVEELZDNN-QLFBSQMISA-N 0 0 329.356 3.494 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000416023637 309154973 /nfs/dbraw/zinc/15/49/73/309154973.db2.gz ZUBKLDFYEWBMOU-HUUCEWRRSA-N 0 0 342.399 3.127 10 5 EGBERN O=C(N[C@H](CO)CC1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000416330355 309169018 /nfs/dbraw/zinc/16/90/18/309169018.db2.gz FEGSGBOKRDISQL-ZDUSSCGKSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)C(C2CC2)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416382897 309170547 /nfs/dbraw/zinc/17/05/47/309170547.db2.gz KKRPEYPPMRRSAP-UHFFFAOYSA-N 0 0 338.429 3.021 10 5 EGBERN CC(C)(C)[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416641364 309175605 /nfs/dbraw/zinc/17/56/05/309175605.db2.gz ZBHFWCRXEMCFPX-GJZGRUSLSA-N 0 0 340.445 3.229 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000416746137 309179292 /nfs/dbraw/zinc/17/92/92/309179292.db2.gz GVNRUYOIIFLGOE-CVEARBPZSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418142756 309237514 /nfs/dbraw/zinc/23/75/14/309237514.db2.gz NPZSUHKLNQJSCF-OAHLLOKOSA-N 0 0 343.383 3.047 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000420615840 309290191 /nfs/dbraw/zinc/29/01/91/309290191.db2.gz FPVRJKNUUSLBSX-WCBMZHEXSA-N 0 0 330.182 3.122 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](O)CC23CCC3)cc1OC(F)F ZINC000420645001 309291449 /nfs/dbraw/zinc/29/14/49/309291449.db2.gz ZITUZQFVIUOMNA-LLVKDONJSA-N 0 0 328.315 3.080 10 5 EGBERN Cc1c(Cl)c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1C ZINC000421320055 309318285 /nfs/dbraw/zinc/31/82/85/309318285.db2.gz ACQVSHZIYXNFQQ-UHFFFAOYSA-N 0 0 334.807 3.455 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000421415951 309323793 /nfs/dbraw/zinc/32/37/93/309323793.db2.gz MMLVWPKBVBSQBS-UHFFFAOYSA-N 0 0 339.395 3.174 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000421671024 309333823 /nfs/dbraw/zinc/33/38/23/309333823.db2.gz PJHKZDNSHIRLNJ-AAEUAGOBSA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000422238829 309358965 /nfs/dbraw/zinc/35/89/65/309358965.db2.gz MAYBHHYKZPWNNK-WMLDXEAASA-N 0 0 347.415 3.226 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000424101254 309429446 /nfs/dbraw/zinc/42/94/46/309429446.db2.gz JINNDGMHXOZXJC-QHCPKHFHSA-N 0 0 335.381 3.228 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000425118626 309466742 /nfs/dbraw/zinc/46/67/42/309466742.db2.gz LYDOOOFEYXFICV-AWEZNQCLSA-N 0 0 342.399 3.425 10 5 EGBERN CC(C)n1cc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000427693457 309534353 /nfs/dbraw/zinc/53/43/53/309534353.db2.gz FDJGZMIQWUYFQX-UHFFFAOYSA-N 0 0 349.416 3.029 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432151599 309653423 /nfs/dbraw/zinc/65/34/23/309653423.db2.gz GXMMZTLRPNHVDS-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCc4c3c(F)ccc4F)cc2N1 ZINC000432172619 309654042 /nfs/dbraw/zinc/65/40/42/309654042.db2.gz PIKZJSLAODWZLH-UHFFFAOYSA-N 0 0 345.305 3.452 10 5 EGBERN Cc1nc2ccncc2cc1OCCOc1cccc([N+](=O)[O-])c1 ZINC000432311778 309657013 /nfs/dbraw/zinc/65/70/13/309657013.db2.gz GSGRXTKLBOPVGT-UHFFFAOYSA-N 0 0 325.324 3.304 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436012977 309744911 /nfs/dbraw/zinc/74/49/11/309744911.db2.gz AYPUDZYOIDVZKE-ZYHUDNBSSA-N 0 0 338.791 3.440 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000436160706 309748380 /nfs/dbraw/zinc/74/83/80/309748380.db2.gz JBKBITOMXBSRRN-ZJUUUORDSA-N 0 0 346.836 3.366 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000439089891 309826020 /nfs/dbraw/zinc/82/60/20/309826020.db2.gz VNSOELFPPUPYKA-KGLIPLIRSA-N 0 0 348.399 3.024 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000439162703 309827774 /nfs/dbraw/zinc/82/77/74/309827774.db2.gz ZSTZMWSJMGXCGA-WCQYABFASA-N 0 0 338.791 3.198 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCC2CCCCC2)c1 ZINC000443721133 309907226 /nfs/dbraw/zinc/90/72/26/309907226.db2.gz VGKJWLWHTZZPEH-UHFFFAOYSA-N 0 0 340.445 3.375 10 5 EGBERN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000444673064 309925199 /nfs/dbraw/zinc/92/51/99/309925199.db2.gz MHWOBWZTJDQFPI-JTQLQIEISA-N 0 0 340.339 3.051 10 5 EGBERN CC[C@H](C)[C@](C)(O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446310502 309960067 /nfs/dbraw/zinc/96/00/67/309960067.db2.gz HHOUEPUBMRRSRT-ZUZCIYMTSA-N 0 0 328.796 3.084 10 5 EGBERN CCOc1cccc(CN(CCO)Cc2csc([N+](=O)[O-])c2)c1 ZINC000449762943 310085568 /nfs/dbraw/zinc/08/55/68/310085568.db2.gz NBXMVVDKORBEAH-UHFFFAOYSA-N 0 0 336.413 3.050 10 5 EGBERN CC[C@H](NC(=O)c1cc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000450052141 310100785 /nfs/dbraw/zinc/10/07/85/310100785.db2.gz KMELJHKWMWRUAL-HNNXBMFYSA-N 0 0 328.372 3.009 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450247077 310110862 /nfs/dbraw/zinc/11/08/62/310110862.db2.gz MPJCEKLAABHZPP-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CC(C)(C)c1csc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000450311723 310114697 /nfs/dbraw/zinc/11/46/97/310114697.db2.gz JGPQHKNONILYQK-UHFFFAOYSA-N 0 0 331.401 3.259 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000450410125 310120705 /nfs/dbraw/zinc/12/07/05/310120705.db2.gz XCAHMULCKZPZQS-GLQYFDAESA-N 0 0 328.372 3.231 10 5 EGBERN Cc1cc(NCCc2csc(N)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450516612 310127700 /nfs/dbraw/zinc/12/77/00/310127700.db2.gz BOQSYCIRQRZRFY-UHFFFAOYSA-N 0 0 346.334 3.446 10 5 EGBERN Cc1c(Br)c(NC2(CCO)CCCC2)ncc1[N+](=O)[O-] ZINC000450523580 310128080 /nfs/dbraw/zinc/12/80/80/310128080.db2.gz IGQVUFFHMKTEEY-UHFFFAOYSA-N 0 0 344.209 3.168 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000450673753 310136506 /nfs/dbraw/zinc/13/65/06/310136506.db2.gz AGBPTTCIABJVQU-MRVWCRGKSA-N 0 0 325.796 3.163 10 5 EGBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450878148 310147298 /nfs/dbraw/zinc/14/72/98/310147298.db2.gz UWJCGVSHLYAWGR-LLVKDONJSA-N 0 0 331.338 3.224 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@@H](COC)CC2)ccc1[N+](=O)[O-] ZINC000450951376 310151639 /nfs/dbraw/zinc/15/16/39/310151639.db2.gz XLISKYDEBBAXHJ-CYBMUJFWSA-N 0 0 336.388 3.024 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257048 310168128 /nfs/dbraw/zinc/16/81/28/310168128.db2.gz FWTMDLBQVAOYKV-CCKFTAQKSA-N 0 0 344.386 3.456 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264766 310168702 /nfs/dbraw/zinc/16/87/02/310168702.db2.gz NIYNUWYNHCKJMT-DKSSEZFCSA-N 0 0 344.386 3.456 10 5 EGBERN Cc1cnc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000452686105 310237500 /nfs/dbraw/zinc/23/75/00/310237500.db2.gz QXVRMZGFHLVOEL-UHFFFAOYSA-N 0 0 330.344 3.041 10 5 EGBERN COCc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000452860540 310246056 /nfs/dbraw/zinc/24/60/56/310246056.db2.gz CBIVYBVFRCSWII-CQSZACIVSA-N 0 0 344.367 3.354 10 5 EGBERN CC(C)[C@@H](CO)[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000452959006 310250736 /nfs/dbraw/zinc/25/07/36/310250736.db2.gz BXWHAARCLKZDRD-NVXWUHKLSA-N 0 0 347.415 3.095 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(Cc3ccco3)n2)c2c1NCCC2 ZINC000453226778 310265311 /nfs/dbraw/zinc/26/53/11/310265311.db2.gz AJWBMUMHVNMCTA-UHFFFAOYSA-N 0 0 326.312 3.187 10 5 EGBERN CSCCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242147 310266337 /nfs/dbraw/zinc/26/63/37/310266337.db2.gz VJUOOYHTYAJBLU-UHFFFAOYSA-N 0 0 334.401 3.299 10 5 EGBERN Cc1c(-c2noc(C(C)(C)c3cnn(C)c3)n2)cccc1[N+](=O)[O-] ZINC000453265352 310267927 /nfs/dbraw/zinc/26/79/27/310267927.db2.gz WPFQDMAPFGVSSV-UHFFFAOYSA-N 0 0 327.344 3.013 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454197671 310296528 /nfs/dbraw/zinc/29/65/28/310296528.db2.gz KPXSANNBGQGYKJ-BBRMVZONSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454197674 310296652 /nfs/dbraw/zinc/29/66/52/310296652.db2.gz KPXSANNBGQGYKJ-XJKSGUPXSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000454293305 310301800 /nfs/dbraw/zinc/30/18/00/310301800.db2.gz BBYZSCKZIRUGRL-XHSDSOJGSA-N 0 0 333.388 3.142 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000454324107 310303504 /nfs/dbraw/zinc/30/35/04/310303504.db2.gz NWEJIZHKISUVLV-GDBMZVCRSA-N 0 0 342.355 3.032 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000454613594 310320049 /nfs/dbraw/zinc/32/00/49/310320049.db2.gz NMXDMGRELQIJRE-RDTXWAMCSA-N 0 0 347.415 3.176 10 5 EGBERN Cc1nnccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455134774 310346308 /nfs/dbraw/zinc/34/63/08/310346308.db2.gz GIZYFMMHRAYJHM-AWEZNQCLSA-N 0 0 341.371 3.105 10 5 EGBERN CC[C@@H]1CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455400327 310359035 /nfs/dbraw/zinc/35/90/35/310359035.db2.gz LALLWPKYZRNJMY-SNVBAGLBSA-N 0 0 328.166 3.374 10 5 EGBERN C[C@H](CCO)CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455401062 310359060 /nfs/dbraw/zinc/35/90/60/310359060.db2.gz DCJMFSHSHWJDGZ-LBPRGKRZSA-N 0 0 337.420 3.422 10 5 EGBERN COc1c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000456142087 310390398 /nfs/dbraw/zinc/39/03/98/310390398.db2.gz ZSCFAWWWEYXVPS-VHSXEESVSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456257492 310395271 /nfs/dbraw/zinc/39/52/71/310395271.db2.gz UFQAQEVSZMSQGJ-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN CCn1ccnc1[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000456344304 310399863 /nfs/dbraw/zinc/39/98/63/310399863.db2.gz FTQXTDHHZPTBKF-SNVBAGLBSA-N 0 0 336.779 3.264 10 5 EGBERN CN1CCC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000456605694 310414630 /nfs/dbraw/zinc/41/46/30/310414630.db2.gz KVJCWNFDQWLJML-HNNXBMFYSA-N 0 0 343.358 3.435 10 5 EGBERN CC1(C2(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000456644987 310415991 /nfs/dbraw/zinc/41/59/91/310415991.db2.gz KJUDXFOIHDNHLY-UHFFFAOYSA-N 0 0 338.791 3.466 10 5 EGBERN CC(C)CN(C(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(Cl)c1 ZINC000456793035 310422727 /nfs/dbraw/zinc/42/27/27/310422727.db2.gz BUFBLJKOLHXIDL-UHFFFAOYSA-N 0 0 336.779 3.285 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000458032327 310483548 /nfs/dbraw/zinc/48/35/48/310483548.db2.gz UHSBWCFFBRBISM-HUUCEWRRSA-N 0 0 342.399 3.220 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000458340807 310499064 /nfs/dbraw/zinc/49/90/64/310499064.db2.gz BZTGQWCFWROYAY-SECBINFHSA-N 0 0 342.417 3.015 10 5 EGBERN CCOC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000459614679 310564402 /nfs/dbraw/zinc/56/44/02/310564402.db2.gz FAZPJHJCAHVHQO-UHFFFAOYSA-N 0 0 333.413 3.329 10 5 EGBERN Cc1cc(Sc2nnnn2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461733912 310592197 /nfs/dbraw/zinc/59/21/97/310592197.db2.gz PDNYBAHLFBKQSQ-UHFFFAOYSA-N 0 0 345.359 3.228 10 5 EGBERN CNc1c(C(=O)NC[C@H](C)c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000462992698 310608119 /nfs/dbraw/zinc/60/81/19/310608119.db2.gz PITKDBVUCJKLRF-ZDUSSCGKSA-N 0 0 327.384 3.478 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000485902205 310984296 /nfs/dbraw/zinc/98/42/96/310984296.db2.gz AWCAMVRNCVMERJ-APWZRJJASA-N 0 0 340.379 3.372 10 5 EGBERN COC(=O)c1cc(NC(=O)NCCC2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486874819 311001092 /nfs/dbraw/zinc/00/10/92/311001092.db2.gz PNXWJIOKLHHSTE-UHFFFAOYSA-N 0 0 349.387 3.392 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N(C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000486941616 311003166 /nfs/dbraw/zinc/00/31/66/311003166.db2.gz UGQGDDGBOQKEJX-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1N1CCNC1=O ZINC000487190217 311014779 /nfs/dbraw/zinc/01/47/79/311014779.db2.gz IWFKRGHYXSCMCM-UHFFFAOYSA-N 0 0 340.383 3.353 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000487443234 311023907 /nfs/dbraw/zinc/02/39/07/311023907.db2.gz QQBUGFOYEKJCMI-OAHLLOKOSA-N 0 0 342.395 3.372 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000487450625 311024202 /nfs/dbraw/zinc/02/42/02/311024202.db2.gz LFGNLRSOKGNSHA-ZDUSSCGKSA-N 0 0 327.384 3.310 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccnc(OC(F)F)c1 ZINC000487718657 311035169 /nfs/dbraw/zinc/03/51/69/311035169.db2.gz HOJQXOIXSPJKEU-UHFFFAOYSA-N 0 0 346.293 3.173 10 5 EGBERN Cn1c(Sc2c3ccccc3ncc2[N+](=O)[O-])nnc1C(F)F ZINC000488132771 311052867 /nfs/dbraw/zinc/05/28/67/311052867.db2.gz XJTPUIXPFLOCLP-UHFFFAOYSA-N 0 0 337.311 3.360 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488311775 311060318 /nfs/dbraw/zinc/06/03/18/311060318.db2.gz IOLGNKKSXJQOME-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000488376464 311062689 /nfs/dbraw/zinc/06/26/89/311062689.db2.gz TUKBRVIQCKBXKB-UHFFFAOYSA-N 0 0 349.431 3.107 10 5 EGBERN Cc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000489975471 311127952 /nfs/dbraw/zinc/12/79/52/311127952.db2.gz ZCIXHNUDVKPIFR-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN CC(C)(NC(=O)NCC1(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000491139991 311165627 /nfs/dbraw/zinc/16/56/27/311165627.db2.gz GDAZLOIJANRUAC-UHFFFAOYSA-N 0 0 345.321 3.472 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000493235633 311347395 /nfs/dbraw/zinc/34/73/95/311347395.db2.gz ICUWMEKJALMGLZ-GFCCVEGCSA-N 0 0 343.387 3.247 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000501140538 311939419 /nfs/dbraw/zinc/93/94/19/311939419.db2.gz RHWDLJCTMRQYME-ZJUUUORDSA-N 0 0 346.836 3.223 10 5 EGBERN CC[C@@]1(C)CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508529732 312096563 /nfs/dbraw/zinc/09/65/63/312096563.db2.gz ZFWFMDXGKJCUBG-KRWDZBQOSA-N 0 0 329.404 3.407 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCCC[C@@H]2C)c1C ZINC000512147914 312176856 /nfs/dbraw/zinc/17/68/56/312176856.db2.gz PJEPLLOGJXDTPC-LBPRGKRZSA-N 0 0 326.418 3.165 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000512979885 312199446 /nfs/dbraw/zinc/19/94/46/312199446.db2.gz RGDGJFYMMRMSKG-UHFFFAOYSA-N 0 0 342.370 3.467 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000514702304 312239249 /nfs/dbraw/zinc/23/92/49/312239249.db2.gz COHXHQPQLYAZNT-AWEZNQCLSA-N 0 0 335.363 3.363 10 5 EGBERN O=C1[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000518319730 312411680 /nfs/dbraw/zinc/41/16/80/312411680.db2.gz VVCIEWAEECNCFW-CQSZACIVSA-N 0 0 331.759 3.466 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000520953070 312525547 /nfs/dbraw/zinc/52/55/47/312525547.db2.gz PNBUROVUPHDKAL-DYVFJYSZSA-N 0 0 342.399 3.186 10 5 EGBERN C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000530326552 313519843 /nfs/dbraw/zinc/51/98/43/313519843.db2.gz XCYBHOARQSFEGR-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(CC(F)F)CC2)c(C(F)(F)F)c1 ZINC000057856801 454152491 /nfs/dbraw/zinc/15/24/91/454152491.db2.gz GUJXETATXBRHTF-UHFFFAOYSA-N 0 0 339.264 3.001 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531882283 313725413 /nfs/dbraw/zinc/72/54/13/313725413.db2.gz BPTCTAYUFYMASH-XUJLQICISA-N 0 0 347.415 3.190 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000532138927 313759901 /nfs/dbraw/zinc/75/99/01/313759901.db2.gz DHZUVIFUPPKEFO-GJZGRUSLSA-N 0 0 335.404 3.046 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(c4ccccc4F)CC3)nn21 ZINC000535046291 314018712 /nfs/dbraw/zinc/01/87/12/314018712.db2.gz GBEVIVJQCKPAJN-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN CC[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000535731262 314064703 /nfs/dbraw/zinc/06/47/03/314064703.db2.gz LHEVNSDRZXVXEC-NOZJJQNGSA-N 0 0 329.278 3.257 10 5 EGBERN CC(=O)c1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000536063694 314091833 /nfs/dbraw/zinc/09/18/33/314091833.db2.gz BIYMRCZLSHCGNY-UHFFFAOYSA-N 0 0 330.365 3.057 10 5 EGBERN COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000539239814 314302463 /nfs/dbraw/zinc/30/24/63/314302463.db2.gz ZSVFODMZXFSYTI-BDJLRTHQSA-N 0 0 332.331 3.299 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000541868113 314498042 /nfs/dbraw/zinc/49/80/42/314498042.db2.gz WGLRBGYLSSXYJE-UHFFFAOYSA-N 0 0 336.351 3.272 10 5 EGBERN C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1F ZINC000543436230 314628574 /nfs/dbraw/zinc/62/85/74/314628574.db2.gz GHDMFZSMWWSOOF-SNVBAGLBSA-N 0 0 344.321 3.454 10 5 EGBERN C[C@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1c(F)cccc1F ZINC000544962613 314726525 /nfs/dbraw/zinc/72/65/25/314726525.db2.gz CBTGCINESXISKX-QMMMGPOBSA-N 0 0 332.266 3.470 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cn3ccccc3n2)no1 ZINC000545605685 314771861 /nfs/dbraw/zinc/77/18/61/314771861.db2.gz SXOOSYZDPIAMRA-UHFFFAOYSA-N 0 0 335.323 3.192 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000548829208 315053061 /nfs/dbraw/zinc/05/30/61/315053061.db2.gz GVNUWVRYIGIZGK-KRWDZBQOSA-N 0 0 349.337 3.092 10 5 EGBERN CCc1cccc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000550599664 315130568 /nfs/dbraw/zinc/13/05/68/315130568.db2.gz ZWYIMAPFMVWVIQ-OAHLLOKOSA-N 0 0 331.368 3.284 10 5 EGBERN CCO[C@H](CC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551970025 315183904 /nfs/dbraw/zinc/18/39/04/315183904.db2.gz XXRBNPGJOHKDMF-LLVKDONJSA-N 0 0 331.166 3.111 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000552224203 315207088 /nfs/dbraw/zinc/20/70/88/315207088.db2.gz NDBAULKTIPKPDH-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)C(F)(F)F ZINC000554768868 315347851 /nfs/dbraw/zinc/34/78/51/315347851.db2.gz GELYUDNFDKSPHR-UHFFFAOYSA-N 0 0 347.337 3.367 10 5 EGBERN CC1(C)CC[C@H]2C[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])c3cccc1c32 ZINC000554862889 315353329 /nfs/dbraw/zinc/35/33/29/315353329.db2.gz BYDJXOSFMTWYJR-IINYFYTJSA-N 0 0 340.383 3.348 10 5 EGBERN Cc1cccc(C(=O)N2CCC(F)(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000556826247 315471462 /nfs/dbraw/zinc/47/14/62/315471462.db2.gz WXZKVNKLQUOXKF-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CCOc1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1F ZINC000561131526 315742836 /nfs/dbraw/zinc/74/28/36/315742836.db2.gz RJZDHKJUOQOLKH-UHFFFAOYSA-N 0 0 349.318 3.366 10 5 EGBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C ZINC000565145142 316274646 /nfs/dbraw/zinc/27/46/46/316274646.db2.gz GILPMKMIQMHNKB-LLVKDONJSA-N 0 0 331.372 3.073 10 5 EGBERN CC(C)c1nnc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)n1C ZINC000565538769 316337829 /nfs/dbraw/zinc/33/78/29/316337829.db2.gz VUVSSJPKHDAHPC-UHFFFAOYSA-N 0 0 333.417 3.272 10 5 EGBERN CC(=O)CC(C)(C)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565865429 316380100 /nfs/dbraw/zinc/38/01/00/316380100.db2.gz LYJMPGHWOLENBY-UHFFFAOYSA-N 0 0 345.399 3.130 10 5 EGBERN O=C(CCc1ccccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565972031 316395979 /nfs/dbraw/zinc/39/59/79/316395979.db2.gz JHTQSSZCIZRYIV-UHFFFAOYSA-N 0 0 337.379 3.368 10 5 EGBERN COC(=O)c1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)cc(C)c1[N+](=O)[O-] ZINC000566971795 316552376 /nfs/dbraw/zinc/55/23/76/316552376.db2.gz PFIGRCLKSFIWRS-CZUORRHYSA-N 0 0 348.399 3.085 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000567406744 316613296 /nfs/dbraw/zinc/61/32/96/316613296.db2.gz QVUJKVXGWGJCKH-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125784764 454846091 /nfs/dbraw/zinc/84/60/91/454846091.db2.gz QFHYSDADBXTQKV-DGCLKSJQSA-N 0 0 344.458 3.084 10 5 EGBERN C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000570595096 317078970 /nfs/dbraw/zinc/07/89/70/317078970.db2.gz ZHEYIBZRMLRZNO-LIRZEXBASA-N 0 0 346.427 3.240 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000570959236 317133031 /nfs/dbraw/zinc/13/30/31/317133031.db2.gz YETYESWMKUPUIN-VXGBXAGGSA-N 0 0 340.387 3.343 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000573177616 317446442 /nfs/dbraw/zinc/44/64/42/317446442.db2.gz PISXOPAUHRXUNW-MEDUHNTESA-N 0 0 344.415 3.316 10 5 EGBERN Cc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(=O)[nH]1 ZINC000573645352 317512777 /nfs/dbraw/zinc/51/27/77/317512777.db2.gz FXVCXFRSCAXPKA-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN CN(Cc1cccn1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574319415 317585409 /nfs/dbraw/zinc/58/54/09/317585409.db2.gz HTIMXKZEWQSRPS-UHFFFAOYSA-N 0 0 341.289 3.224 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NC1CCN(c2nccs2)CC1 ZINC000574651035 317622811 /nfs/dbraw/zinc/62/28/11/317622811.db2.gz GJJGAYRAZZXWQR-UHFFFAOYSA-N 0 0 334.401 3.141 10 5 EGBERN CNc1c(Cl)ncnc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000302601028 456364628 /nfs/dbraw/zinc/36/46/28/456364628.db2.gz YJIVNVBJKMBLFW-UHFFFAOYSA-N 0 0 328.159 3.345 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC/C=C/c1ccccc1 ZINC000171994985 323265409 /nfs/dbraw/zinc/26/54/09/323265409.db2.gz JVGWVEQVHQAWBM-RMKNXTFCSA-N 0 0 325.368 3.226 10 5 EGBERN Cc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000181899886 323511179 /nfs/dbraw/zinc/51/11/79/323511179.db2.gz AWSNFEQJJUTZGO-UHFFFAOYSA-N 0 0 342.399 3.044 10 5 EGBERN Cc1cc(NC(=O)c2cnc(-c3cnn(C)c3)s2)ccc1[N+](=O)[O-] ZINC000182417544 323549512 /nfs/dbraw/zinc/54/95/12/323549512.db2.gz LNNUECCNEVBEFC-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000184052775 323639801 /nfs/dbraw/zinc/63/98/01/323639801.db2.gz QXHVNZLKCCWOPH-JTQLQIEISA-N 0 0 349.412 3.292 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189853167 323787759 /nfs/dbraw/zinc/78/77/59/323787759.db2.gz HCNZIJMRNAGKDS-HNNXBMFYSA-N 0 0 348.399 3.274 10 5 EGBERN COc1cc(OC)cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c1 ZINC000350810837 324122290 /nfs/dbraw/zinc/12/22/90/324122290.db2.gz AWYPAOHBZOIQOY-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN O=[N+]([O-])c1cc(-c2nc([C@H]3CCCOC3)no2)ccc1OC(F)F ZINC000350853784 324129390 /nfs/dbraw/zinc/12/93/90/324129390.db2.gz JTOHWBQWKIZBNH-VIFPVBQESA-N 0 0 341.270 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)c3cccnc3)n2)c1 ZINC000350908921 324137714 /nfs/dbraw/zinc/13/77/14/324137714.db2.gz KPVNMIBSCFANEN-LLVKDONJSA-N 0 0 340.339 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN3c3nccs3)n2)o1 ZINC000351141592 324179553 /nfs/dbraw/zinc/17/95/53/324179553.db2.gz CVTACLQQBYLAQB-MRVPVSSYSA-N 0 0 333.329 3.036 10 5 EGBERN CO[C@H]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000575907851 324505427 /nfs/dbraw/zinc/50/54/27/324505427.db2.gz VAEXWTBYFBTYNQ-SKDRFNHKSA-N 0 0 346.305 3.159 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000576406685 324608828 /nfs/dbraw/zinc/60/88/28/324608828.db2.gz IRBAODGUIITMRC-ZFWWWQNUSA-N 0 0 349.406 3.405 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1c(Br)cnn1C ZINC000312769693 456594418 /nfs/dbraw/zinc/59/44/18/456594418.db2.gz XQQHFTFXBYQGSP-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000577930439 324888920 /nfs/dbraw/zinc/88/89/20/324888920.db2.gz HVWZRRAKWKYXKB-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2COc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000579516925 325121156 /nfs/dbraw/zinc/12/11/56/325121156.db2.gz IDTGNIDVHXCQCE-GFCCVEGCSA-N 0 0 342.351 3.278 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000579853216 325168856 /nfs/dbraw/zinc/16/88/56/325168856.db2.gz HFPIBVQXTSBHQJ-AWEZNQCLSA-N 0 0 348.321 3.133 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000580117831 325205494 /nfs/dbraw/zinc/20/54/94/325205494.db2.gz WPLYNQHRDIHHDQ-UHFFFAOYSA-N 0 0 342.248 3.357 10 5 EGBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000580303207 325230883 /nfs/dbraw/zinc/23/08/83/325230883.db2.gz KKLZSPAGNZASCG-HAQNSBGRSA-N 0 0 346.412 3.204 10 5 EGBERN COc1ccsc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581333672 325352369 /nfs/dbraw/zinc/35/23/69/325352369.db2.gz RFEOHDNLNQJMID-UHFFFAOYSA-N 0 0 345.380 3.119 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1nccc(C(F)F)n1)CCCC2 ZINC000581425998 325360315 /nfs/dbraw/zinc/36/03/15/325360315.db2.gz BEHGMUOXCLGCNH-UHFFFAOYSA-N 0 0 335.314 3.208 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNc3nccnc3OC(F)F)c2c1 ZINC000582986311 325485706 /nfs/dbraw/zinc/48/57/06/325485706.db2.gz PFLXOOBJEVPANB-UHFFFAOYSA-N 0 0 349.297 3.122 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC=CCC1 ZINC000583785640 325550861 /nfs/dbraw/zinc/55/08/61/325550861.db2.gz MVDDZRVQQFBXDW-ZDUSSCGKSA-N 0 0 342.399 3.274 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183299691 455273587 /nfs/dbraw/zinc/27/35/87/455273587.db2.gz KOZPZJJUAGDDFR-CZEPXGMWSA-N 0 0 344.411 3.152 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2COC[C@@H]2C1 ZINC000620149662 460549091 /nfs/dbraw/zinc/54/90/91/460549091.db2.gz CQZCXWROPFIMMK-HOTGVXAUSA-N 0 0 332.403 3.497 10 5 EGBERN CCO[C@@H](CSCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000600635651 460553240 /nfs/dbraw/zinc/55/32/40/460553240.db2.gz DBEPFVOPEAYQMV-HNNXBMFYSA-N 0 0 339.413 3.430 10 5 EGBERN COCc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000600699486 460572488 /nfs/dbraw/zinc/57/24/88/460572488.db2.gz GDLNSKBKYZFSOR-LBPRGKRZSA-N 0 0 344.367 3.492 10 5 EGBERN O=C([C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000005468553 452877217 /nfs/dbraw/zinc/87/72/17/452877217.db2.gz JUAGSAAJIGTHQP-KRWDZBQOSA-N 0 0 344.342 3.476 10 5 EGBERN Cc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006639380 452961959 /nfs/dbraw/zinc/96/19/59/452961959.db2.gz VAKZGVZKBPARGW-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN CCc1noc(C)c1CS(=O)(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158878810 455334813 /nfs/dbraw/zinc/33/48/13/455334813.db2.gz RCRDBSMQLBHZIS-NSHDSACASA-N 0 0 338.385 3.130 10 5 EGBERN O=C([C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCC1 ZINC000008291254 453188190 /nfs/dbraw/zinc/18/81/90/453188190.db2.gz ZKTJMMVWVZVJAD-QGZVFWFLSA-N 0 0 326.352 3.337 10 5 EGBERN CCO[C@H](C)c1noc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557805 455355916 /nfs/dbraw/zinc/35/59/16/455355916.db2.gz OHGUSFKFSAVIQE-BXUZGUMPSA-N 0 0 334.376 3.316 10 5 EGBERN Cc1c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] ZINC000012769984 453401160 /nfs/dbraw/zinc/40/11/60/453401160.db2.gz GRRQGVMYUAKPOJ-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000612333059 460597738 /nfs/dbraw/zinc/59/77/38/460597738.db2.gz PFWUAADIWNPDQO-UHFFFAOYSA-N 0 0 342.355 3.195 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000016086278 453593608 /nfs/dbraw/zinc/59/36/08/453593608.db2.gz CWPOOVHJUOZGCQ-JTQLQIEISA-N 0 0 340.788 3.288 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600803007 460610172 /nfs/dbraw/zinc/61/01/72/460610172.db2.gz HPNNNDIHMXPQOQ-ZDUSSCGKSA-N 0 0 340.383 3.091 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600808532 460612380 /nfs/dbraw/zinc/61/23/80/460612380.db2.gz LXCRIAKSBFWYSU-RDFMZFSFSA-N 0 0 348.399 3.187 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000020668943 453667394 /nfs/dbraw/zinc/66/73/94/453667394.db2.gz FZNJUGRPSPSGMN-AWEZNQCLSA-N 0 0 341.367 3.493 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695767 453680480 /nfs/dbraw/zinc/68/04/80/453680480.db2.gz UIKWIFQAJCBTNS-UHFFFAOYSA-N 0 0 330.315 3.413 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000025597106 453779341 /nfs/dbraw/zinc/77/93/41/453779341.db2.gz JIALZOJTFXIWOH-LBPRGKRZSA-N 0 0 331.347 3.332 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnc2ccccc2n1 ZINC000025833537 453787561 /nfs/dbraw/zinc/78/75/61/453787561.db2.gz YOFXJBZQTHMDAT-LBPRGKRZSA-N 0 0 336.351 3.371 10 5 EGBERN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347241 453797607 /nfs/dbraw/zinc/79/76/07/453797607.db2.gz GFAAIXMAZUACQG-GJZGRUSLSA-N 0 0 341.411 3.293 10 5 EGBERN CCOc1cc(OC[C@@H](O)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000190691272 455367730 /nfs/dbraw/zinc/36/77/30/455367730.db2.gz VWQPLRTXPWKIAU-AWEZNQCLSA-N 0 0 347.367 3.121 10 5 EGBERN CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029483667 453829361 /nfs/dbraw/zinc/82/93/61/453829361.db2.gz KEQAPRNLCMPMKQ-INIZCTEOSA-N 0 0 343.358 3.292 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000030700333 453837708 /nfs/dbraw/zinc/83/77/08/453837708.db2.gz NMBICQAZULYVHH-UHFFFAOYSA-N 0 0 328.155 3.170 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000031633606 453850543 /nfs/dbraw/zinc/85/05/43/453850543.db2.gz OQPFCSSGRPGEKN-UHFFFAOYSA-N 0 0 332.385 3.212 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000031913911 453857849 /nfs/dbraw/zinc/85/78/49/453857849.db2.gz JOKMDQDEPKHJGO-UHFFFAOYSA-N 0 0 330.369 3.113 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 ZINC000032251639 453866155 /nfs/dbraw/zinc/86/61/55/453866155.db2.gz QNTZIAJBOZEQNQ-GFCCVEGCSA-N 0 0 340.339 3.173 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000053323514 453871319 /nfs/dbraw/zinc/87/13/19/453871319.db2.gz QVSBQVVNNHCPDA-CYBMUJFWSA-N 0 0 345.424 3.175 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081450083 453872822 /nfs/dbraw/zinc/87/28/22/453872822.db2.gz IBQSETHAANIPSK-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000053366808 453874397 /nfs/dbraw/zinc/87/43/97/453874397.db2.gz ZKQFYKGYOQUBKB-HNNXBMFYSA-N 0 0 345.330 3.081 10 5 EGBERN Cc1nccn1-c1ccc(CNc2ccncc2[N+](=O)[O-])cc1F ZINC000066810622 453875626 /nfs/dbraw/zinc/87/56/26/453875626.db2.gz MVPZRWHCGBGMIM-UHFFFAOYSA-N 0 0 327.319 3.235 10 5 EGBERN COc1ccc(CNc2ccncc2[N+](=O)[O-])cc1Br ZINC000066812073 453876550 /nfs/dbraw/zinc/87/65/50/453876550.db2.gz ZIFADFHBTUHVKP-UHFFFAOYSA-N 0 0 338.161 3.373 10 5 EGBERN CCc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000032796322 453891386 /nfs/dbraw/zinc/89/13/86/453891386.db2.gz NRJDGHFZPWWUNM-UHFFFAOYSA-N 0 0 342.351 3.457 10 5 EGBERN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000032863053 453894180 /nfs/dbraw/zinc/89/41/80/453894180.db2.gz BCORIDAMNPGEMT-LBPRGKRZSA-N 0 0 346.362 3.206 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000181790342 455382629 /nfs/dbraw/zinc/38/26/29/455382629.db2.gz LJCHYLKRLTXOOI-PRHODGIISA-N 0 0 347.293 3.303 10 5 EGBERN CC(C)COC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000054321873 453923308 /nfs/dbraw/zinc/92/33/08/453923308.db2.gz UPDFSQFIPIRLSE-AWEZNQCLSA-N 0 0 349.431 3.059 10 5 EGBERN CCc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389396 453927473 /nfs/dbraw/zinc/92/74/73/453927473.db2.gz TVRZFEBDFGIHBX-STQMWFEESA-N 0 0 342.399 3.228 10 5 EGBERN C[C@H](Sc1nnnn1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000036800296 453931522 /nfs/dbraw/zinc/93/15/22/453931522.db2.gz BHQQGPGUBPOUAI-JTQLQIEISA-N 0 0 331.357 3.076 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000054586377 453936866 /nfs/dbraw/zinc/93/68/66/453936866.db2.gz FQUAPPLOQYXVRU-UHFFFAOYSA-N 0 0 344.367 3.031 10 5 EGBERN Cc1sc(C(=O)N2CCc3c(F)ccc(F)c3C2)cc1[N+](=O)[O-] ZINC000084226758 453978159 /nfs/dbraw/zinc/97/81/59/453978159.db2.gz YLYKYBZVPSWVFG-UHFFFAOYSA-N 0 0 338.335 3.441 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000068046543 453990847 /nfs/dbraw/zinc/99/08/47/453990847.db2.gz MYMYQFRJBPWWID-CQSZACIVSA-N 0 0 344.371 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000068165878 454003808 /nfs/dbraw/zinc/00/38/08/454003808.db2.gz JOWHJPONOMGYTO-HNNXBMFYSA-N 0 0 330.315 3.296 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2F ZINC000055692316 454007067 /nfs/dbraw/zinc/00/70/67/454007067.db2.gz HGUQFQAVWCITHS-OAHLLOKOSA-N 0 0 343.358 3.340 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)CSc2nncs2)cc1[N+](=O)[O-] ZINC000084808662 454011295 /nfs/dbraw/zinc/01/12/95/454011295.db2.gz DGHSHDZNLVDNCY-SECBINFHSA-N 0 0 339.398 3.151 10 5 EGBERN O=[N+]([O-])c1cc(CSc2nncn2CCc2ccccn2)cs1 ZINC000068275592 454013725 /nfs/dbraw/zinc/01/37/25/454013725.db2.gz MKHHWADCILQTRR-UHFFFAOYSA-N 0 0 347.425 3.178 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000086015594 454041374 /nfs/dbraw/zinc/04/13/74/454041374.db2.gz UINVBDFERIKPEL-ZANVPECISA-N 0 0 329.194 3.320 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2ccccc2C1 ZINC000069320891 454094480 /nfs/dbraw/zinc/09/44/80/454094480.db2.gz WDWOQCBZWGMUPD-HNNXBMFYSA-N 0 0 342.420 3.361 10 5 EGBERN Cc1sc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000045239774 454147529 /nfs/dbraw/zinc/14/75/29/454147529.db2.gz BBSXGFVWTHEXDH-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CCc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000058172081 454167598 /nfs/dbraw/zinc/16/75/98/454167598.db2.gz DPXGSTYFWUMVCM-UHFFFAOYSA-N 0 0 346.390 3.079 10 5 EGBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000078022043 454177198 /nfs/dbraw/zinc/17/71/98/454177198.db2.gz HXIRLKUSNDZLQK-AWEZNQCLSA-N 0 0 333.367 3.323 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000191011609 455424323 /nfs/dbraw/zinc/42/43/23/455424323.db2.gz TYFGMITVTZLJNM-QLJPJBMISA-N 0 0 329.308 3.074 10 5 EGBERN COc1cc(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000078145453 454201059 /nfs/dbraw/zinc/20/10/59/454201059.db2.gz FPHYZSAWIKHLTP-UHFFFAOYSA-N 0 0 334.397 3.254 10 5 EGBERN Cc1cnn(-c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)c1 ZINC000078149171 454201483 /nfs/dbraw/zinc/20/14/83/454201483.db2.gz UNACUXVKNBCVGS-UHFFFAOYSA-N 0 0 348.362 3.292 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000078369365 454242972 /nfs/dbraw/zinc/24/29/72/454242972.db2.gz AGFNVBWABLLQKN-WBMJQRKESA-N 0 0 331.347 3.404 10 5 EGBERN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1csc(-c2ccoc2)n1 ZINC000071888030 454243647 /nfs/dbraw/zinc/24/36/47/454243647.db2.gz UEKISDHYZZFDIF-UHFFFAOYSA-N 0 0 343.320 3.268 10 5 EGBERN CCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2F)cs1)C(C)=O ZINC000600884764 460629786 /nfs/dbraw/zinc/62/97/86/460629786.db2.gz MFUWVWZBZOHWAS-UHFFFAOYSA-N 0 0 337.376 3.268 10 5 EGBERN O=C(NC1CCN(c2sccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000095986614 454252931 /nfs/dbraw/zinc/25/29/31/454252931.db2.gz MSFUUEQGKJSTCG-UHFFFAOYSA-N 0 0 349.387 3.194 10 5 EGBERN CC(C)c1ccsc1C(=O)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095997301 454257596 /nfs/dbraw/zinc/25/75/96/454257596.db2.gz SZQSIUOCXOIYDB-LBPRGKRZSA-N 0 0 345.424 3.462 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1O ZINC000612449147 460631545 /nfs/dbraw/zinc/63/15/45/460631545.db2.gz HEJICIDDGPDDAP-DGCLKSJQSA-N 0 0 344.358 3.430 10 5 EGBERN Cc1sc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000046785789 454285240 /nfs/dbraw/zinc/28/52/40/454285240.db2.gz FGBLRSYKWOQUGA-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN CCC[C@H](C)CS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090221998 454293730 /nfs/dbraw/zinc/29/37/30/454293730.db2.gz DLDJZIBQUOBUCZ-WFASDCNBSA-N 0 0 328.434 3.402 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1C1CCCC1 ZINC000046877868 454294957 /nfs/dbraw/zinc/29/49/57/454294957.db2.gz IDHQOVAVTZZNNA-UHFFFAOYSA-N 0 0 348.334 3.063 10 5 EGBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000078667994 454295690 /nfs/dbraw/zinc/29/56/90/454295690.db2.gz OMQBPXUFBCCKRO-JTQLQIEISA-N 0 0 347.758 3.064 10 5 EGBERN NC(=O)c1ccc(NCc2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000078690357 454300136 /nfs/dbraw/zinc/30/01/36/454300136.db2.gz ZIYXAHPZNJUKKA-UHFFFAOYSA-N 0 0 348.362 3.368 10 5 EGBERN Cc1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000132376285 454333938 /nfs/dbraw/zinc/33/39/38/454333938.db2.gz MERFAEMTJMXNOS-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN Cc1sc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047189061 454338605 /nfs/dbraw/zinc/33/86/05/454338605.db2.gz ODIQZTLBROHQEW-GXFFZTMASA-N 0 0 326.418 3.290 10 5 EGBERN O=C(CNc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCCCC1 ZINC000079159988 454376736 /nfs/dbraw/zinc/37/67/36/454376736.db2.gz OTCUQXWGGRKGSB-UHFFFAOYSA-N 0 0 343.330 3.057 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1n1ccnc1 ZINC000097162535 454418955 /nfs/dbraw/zinc/41/89/55/454418955.db2.gz GIKBJKBKEPCSNR-NHYWBVRUSA-N 0 0 348.790 3.168 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000073462892 454438332 /nfs/dbraw/zinc/43/83/32/454438332.db2.gz RTOPOTKMDJIOEN-LBPRGKRZSA-N 0 0 343.387 3.203 10 5 EGBERN CCOc1ccccc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000079601258 454447972 /nfs/dbraw/zinc/44/79/72/454447972.db2.gz UDYKPQPJCGEFGK-UHFFFAOYSA-N 0 0 347.440 3.377 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C(C)=O)c(C)n2)c1 ZINC000091623938 454450487 /nfs/dbraw/zinc/45/04/87/454450487.db2.gz YYHHSTLEUDCLKA-UHFFFAOYSA-N 0 0 333.319 3.261 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000079672729 454462299 /nfs/dbraw/zinc/46/22/99/454462299.db2.gz GRRZEXQQRMIWKQ-LLVKDONJSA-N 0 0 327.340 3.412 10 5 EGBERN CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064243756 454469653 /nfs/dbraw/zinc/46/96/53/454469653.db2.gz XZDDSRZJIUBIMV-LLVKDONJSA-N 0 0 340.426 3.128 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(-c2nnco2)c1 ZINC000048303719 454470610 /nfs/dbraw/zinc/47/06/10/454470610.db2.gz SAHOEYXCUMMCAB-UHFFFAOYSA-N 0 0 341.279 3.224 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000064334756 454474175 /nfs/dbraw/zinc/47/41/75/454474175.db2.gz XWKOZJXDHKSWAL-ZCFIWIBFSA-N 0 0 343.170 3.424 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000064354623 454474970 /nfs/dbraw/zinc/47/49/70/454474970.db2.gz GYTDZWYGVQCLFQ-GFCCVEGCSA-N 0 0 334.763 3.161 10 5 EGBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000064819794 454509274 /nfs/dbraw/zinc/50/92/74/454509274.db2.gz NTFZHVGXKWSJTQ-CQSZACIVSA-N 0 0 335.316 3.035 10 5 EGBERN CSCCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080378315 454574181 /nfs/dbraw/zinc/57/41/81/454574181.db2.gz DIYYADORNWKEFR-UHFFFAOYSA-N 0 0 336.335 3.487 10 5 EGBERN O=C(NCc1cscn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050403576 454585196 /nfs/dbraw/zinc/58/51/96/454585196.db2.gz VQCYFTHHVMVVOS-UHFFFAOYSA-N 0 0 346.393 3.105 10 5 EGBERN CC(C)(C)OCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050629914 454593679 /nfs/dbraw/zinc/59/36/79/454593679.db2.gz HSJDNVIRLOMRQD-UHFFFAOYSA-N 0 0 349.412 3.263 10 5 EGBERN Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080649518 454611193 /nfs/dbraw/zinc/61/11/93/454611193.db2.gz FTUKWSKXXGBPHU-GFCCVEGCSA-N 0 0 349.822 3.371 10 5 EGBERN C[C@@H]1COC2(CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)O1 ZINC000080645669 454611521 /nfs/dbraw/zinc/61/15/21/454611521.db2.gz ZMGSVRHRWGMVDD-SNVBAGLBSA-N 0 0 346.305 3.345 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000135150354 454639391 /nfs/dbraw/zinc/63/93/91/454639391.db2.gz GJESHXFCOMUKGE-SJKOYZFVSA-N 0 0 341.367 3.451 10 5 EGBERN CCc1nc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000105714353 454653741 /nfs/dbraw/zinc/65/37/41/454653741.db2.gz NSLWZDMLPBZAEE-JTQLQIEISA-N 0 0 340.426 3.290 10 5 EGBERN COC(=O)C(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000092950947 454658710 /nfs/dbraw/zinc/65/87/10/454658710.db2.gz FGPRIJYGUPSQTR-JTQLQIEISA-N 0 0 341.795 3.059 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000105853016 454660241 /nfs/dbraw/zinc/66/02/41/454660241.db2.gz DWFONRDSQBVBBG-HNNXBMFYSA-N 0 0 342.399 3.139 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000080976619 454664274 /nfs/dbraw/zinc/66/42/74/454664274.db2.gz ZPLTUMWTXLUHIP-ZDUSSCGKSA-N 0 0 342.399 3.028 10 5 EGBERN Nc1c(C(=O)Nc2nnc(-c3ccsc3)s2)cccc1[N+](=O)[O-] ZINC000176577520 454760918 /nfs/dbraw/zinc/76/09/18/454760918.db2.gz NITVGBZCEGMEBP-UHFFFAOYSA-N 0 0 347.381 3.009 10 5 EGBERN CC1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000176632128 454766434 /nfs/dbraw/zinc/76/64/34/454766434.db2.gz JERWBTAZOJQAJH-UHFFFAOYSA-N 0 0 347.415 3.338 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cccc(Br)c1 ZINC000153600384 454811669 /nfs/dbraw/zinc/81/16/69/454811669.db2.gz OKAMRAOAIZWPMT-UHFFFAOYSA-N 0 0 343.564 3.221 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CCCCC1 ZINC000125481583 454824783 /nfs/dbraw/zinc/82/47/83/454824783.db2.gz VWXRVJAUMRZSAJ-LLVKDONJSA-N 0 0 326.418 3.379 10 5 EGBERN CN(Cc1ccc([S@@](C)=O)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153909883 454846135 /nfs/dbraw/zinc/84/61/35/454846135.db2.gz LDODHZYFXJSEAX-QFIPXVFZSA-N 0 0 339.804 3.017 10 5 EGBERN Cn1nccc1C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163521315 454852434 /nfs/dbraw/zinc/85/24/34/454852434.db2.gz GTCTZNAQRDVWPG-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN CC(C)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000154027361 454857790 /nfs/dbraw/zinc/85/77/90/454857790.db2.gz BNIAMXZCYCQIOS-CYBMUJFWSA-N 0 0 346.778 3.495 10 5 EGBERN CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nccs1 ZINC000154029930 454858464 /nfs/dbraw/zinc/85/84/64/454858464.db2.gz NZCRZNXZJIHGQG-ZDUSSCGKSA-N 0 0 325.415 3.476 10 5 EGBERN C[C@@H](CCC(C)(C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154094863 454865773 /nfs/dbraw/zinc/86/57/73/454865773.db2.gz IHLXYROUATUGST-LBPRGKRZSA-N 0 0 328.434 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000177614289 454884277 /nfs/dbraw/zinc/88/42/77/454884277.db2.gz PCDVOFBWOQCVFR-HOTGVXAUSA-N 0 0 330.384 3.267 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000150762996 454888486 /nfs/dbraw/zinc/88/84/86/454888486.db2.gz USKZGVJFVTXLNA-GFCCVEGCSA-N 0 0 339.351 3.138 10 5 EGBERN CCOC(=O)c1ccnc(N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000150842575 454900720 /nfs/dbraw/zinc/90/07/20/454900720.db2.gz RSNXIEIRDHDZFJ-SFHVURJKSA-N 0 0 345.399 3.493 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000177780574 454904101 /nfs/dbraw/zinc/90/41/01/454904101.db2.gz ZZQAOLPHMJAMST-OAHLLOKOSA-N 0 0 344.367 3.493 10 5 EGBERN CC[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000177795540 454907192 /nfs/dbraw/zinc/90/71/92/454907192.db2.gz NPEKOSYECWMQAX-AWEZNQCLSA-N 0 0 328.372 3.078 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000150948110 454916732 /nfs/dbraw/zinc/91/67/32/454916732.db2.gz POKUPYDRKKLMNS-UHFFFAOYSA-N 0 0 331.715 3.113 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000160682423 455487504 /nfs/dbraw/zinc/48/75/04/455487504.db2.gz MOPDLRJLHSJHIQ-UHFFFAOYSA-N 0 0 334.401 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000154691808 454919810 /nfs/dbraw/zinc/91/98/10/454919810.db2.gz VTCUAXFJFPBOPB-CJNGLKHVSA-N 0 0 335.404 3.356 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2C(=O)OC(C)(C)C)s1 ZINC000170602864 454939590 /nfs/dbraw/zinc/93/95/90/454939590.db2.gz NUXBJFBGZQQSOT-JTQLQIEISA-N 0 0 340.401 3.169 10 5 EGBERN CN(Cc1ccc(N)nc1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000127122984 454939759 /nfs/dbraw/zinc/93/97/59/454939759.db2.gz UDXBKSCBAFLUCO-UHFFFAOYSA-N 0 0 326.278 3.227 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114441138 454954378 /nfs/dbraw/zinc/95/43/78/454954378.db2.gz HXCVGMOGLGXMIL-GOSISDBHSA-N 0 0 330.384 3.323 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000127359124 454957292 /nfs/dbraw/zinc/95/72/92/454957292.db2.gz KUPXKAZFDQRQAW-JKSUJKDBSA-N 0 0 332.400 3.323 10 5 EGBERN COC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000170749499 454968833 /nfs/dbraw/zinc/96/88/33/454968833.db2.gz ONFJCQIDYANMJE-MRXNPFEDSA-N 0 0 329.356 3.412 10 5 EGBERN O=C(NCCCC1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000127876370 455005598 /nfs/dbraw/zinc/00/55/98/455005598.db2.gz JUAGGLLSRGMJNI-UHFFFAOYSA-N 0 0 331.416 3.118 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1cccnc1 ZINC000115228212 455006040 /nfs/dbraw/zinc/00/60/40/455006040.db2.gz LGFYPJPCKXMGFV-GFCCVEGCSA-N 0 0 329.356 3.222 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151651815 455012198 /nfs/dbraw/zinc/01/21/98/455012198.db2.gz XMQAAASBRKQECV-SJCJKPOMSA-N 0 0 326.352 3.059 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116002072 455038572 /nfs/dbraw/zinc/03/85/72/455038572.db2.gz GHXPEZBUEJYUMA-KGLIPLIRSA-N 0 0 346.333 3.335 10 5 EGBERN O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000116223474 455048925 /nfs/dbraw/zinc/04/89/25/455048925.db2.gz VBLPIBWRZHTBAL-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000128811404 455085171 /nfs/dbraw/zinc/08/51/71/455085171.db2.gz CLLJFCQFASTTNQ-BMLIUANNSA-N 0 0 342.326 3.015 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nc(C)cs1 ZINC000156142219 455086303 /nfs/dbraw/zinc/08/63/03/455086303.db2.gz DKIFMRRGGSJKFA-SECBINFHSA-N 0 0 336.373 3.251 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000129010177 455094413 /nfs/dbraw/zinc/09/44/13/455094413.db2.gz CLCLVDMOUXDULD-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000172300470 455144047 /nfs/dbraw/zinc/14/40/47/455144047.db2.gz NBBMODNACBTKKV-UHFFFAOYSA-N 0 0 335.360 3.401 10 5 EGBERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172441778 455154452 /nfs/dbraw/zinc/15/44/52/455154452.db2.gz OWXRMYAEKVFKAT-HUUCEWRRSA-N 0 0 347.418 3.162 10 5 EGBERN O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000189333493 455178789 /nfs/dbraw/zinc/17/87/89/455178789.db2.gz FDNVZSRPCOQMLX-ZOCIIQOWSA-N 0 0 326.396 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)N(C)C1CCCCC1 ZINC000612577291 460666414 /nfs/dbraw/zinc/66/64/14/460666414.db2.gz JQEQAKJRGFEXDT-UHFFFAOYSA-N 0 0 333.432 3.126 10 5 EGBERN C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1=O ZINC000190293701 455295161 /nfs/dbraw/zinc/29/51/61/455295161.db2.gz LXQSHOAXYQMJRV-SNVBAGLBSA-N 0 0 345.321 3.427 10 5 EGBERN Cc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000600998357 460669831 /nfs/dbraw/zinc/66/98/31/460669831.db2.gz GYKIKXQIRLANGS-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000174512418 455399507 /nfs/dbraw/zinc/39/95/07/455399507.db2.gz ZAHPWSWZABFWKU-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040348 455422022 /nfs/dbraw/zinc/42/20/22/455422022.db2.gz CARHLUVHXSRPRS-LBPRGKRZSA-N 0 0 341.346 3.165 10 5 EGBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191184856 455459329 /nfs/dbraw/zinc/45/93/29/455459329.db2.gz HSHFGVXPNYYUJP-YVLXSGLVSA-N 0 0 338.791 3.022 10 5 EGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000246265306 455460392 /nfs/dbraw/zinc/46/03/92/455460392.db2.gz AJSQJCLYHURUDX-UEKVPHQBSA-N 0 0 328.372 3.264 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccoc2)C2CCCCC2)n1 ZINC000191633869 455505406 /nfs/dbraw/zinc/50/54/06/455505406.db2.gz AYIIPUUQHLYWLW-UHFFFAOYSA-N 0 0 346.387 3.379 10 5 EGBERN COc1cc(C(=O)NC/C=C/c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191643836 455506601 /nfs/dbraw/zinc/50/66/01/455506601.db2.gz IPOCIFCOZJRWDG-RMKNXTFCSA-N 0 0 326.352 3.355 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000191778202 455518485 /nfs/dbraw/zinc/51/84/85/455518485.db2.gz KOPLRVBPIJDLRX-OAHLLOKOSA-N 0 0 342.399 3.049 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000191944698 455533678 /nfs/dbraw/zinc/53/36/78/455533678.db2.gz ZPNDJSIQXRSRGG-BXUZGUMPSA-N 0 0 343.383 3.459 10 5 EGBERN COc1ccc(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601015778 460676863 /nfs/dbraw/zinc/67/68/63/460676863.db2.gz PDTDHIUKZKPDHW-UHFFFAOYSA-N 0 0 341.367 3.083 10 5 EGBERN Nc1c(C(=O)N(Cc2ccco2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000176126457 455544372 /nfs/dbraw/zinc/54/43/72/455544372.db2.gz BWFAPVSIKWEXMH-UHFFFAOYSA-N 0 0 329.356 3.355 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SC(C)(C)C)cc2)n1 ZINC000271369092 455613659 /nfs/dbraw/zinc/61/36/59/455613659.db2.gz HNQFWHOKHPJVMC-UHFFFAOYSA-N 0 0 334.401 3.471 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268306644 455646397 /nfs/dbraw/zinc/64/63/97/455646397.db2.gz OQTJQWJCSJKYDA-RISCZKNCSA-N 0 0 348.424 3.249 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(C)nc1Br ZINC000192773858 455690139 /nfs/dbraw/zinc/69/01/39/455690139.db2.gz AICMWODZXDYAPH-UHFFFAOYSA-N 0 0 341.165 3.378 10 5 EGBERN O=[N+]([O-])c1cccc(OCCSCc2nc(CC3CC3)no2)c1 ZINC000601047752 460687550 /nfs/dbraw/zinc/68/75/50/460687550.db2.gz WGFGNEBNNHYMSO-UHFFFAOYSA-N 0 0 335.385 3.243 10 5 EGBERN CC(C)C[C@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277940320 455715340 /nfs/dbraw/zinc/71/53/40/455715340.db2.gz BROXPZALIXZYBT-CYBMUJFWSA-N 0 0 338.407 3.230 10 5 EGBERN COc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736083 455743287 /nfs/dbraw/zinc/74/32/87/455743287.db2.gz GURJMRXANNIONO-CABCVRRESA-N 0 0 342.342 3.089 10 5 EGBERN C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186341013 455747371 /nfs/dbraw/zinc/74/73/71/455747371.db2.gz BNOHHUXLOYDGCF-VIFPVBQESA-N 0 0 341.726 3.278 10 5 EGBERN Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000278163615 455774696 /nfs/dbraw/zinc/77/46/96/455774696.db2.gz DFMFIPMOERNUDW-SECBINFHSA-N 0 0 327.344 3.331 10 5 EGBERN CC[C@@H](NC(=O)N1CCC(C)(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271828417 455777104 /nfs/dbraw/zinc/77/71/04/455777104.db2.gz UAIFKDYPXACXDJ-OAHLLOKOSA-N 0 0 335.404 3.256 10 5 EGBERN NC(=O)c1ccc(CSC[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000601058840 460692007 /nfs/dbraw/zinc/69/20/07/460692007.db2.gz CCSKBWAIZKABEN-VIFPVBQESA-N 0 0 330.356 3.362 10 5 EGBERN CC(=O)c1cc(N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000285538538 455865958 /nfs/dbraw/zinc/86/59/58/455865958.db2.gz HSUMHWHLSZANDE-UHFFFAOYSA-N 0 0 325.368 3.124 10 5 EGBERN CCc1cc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC000612685982 460700103 /nfs/dbraw/zinc/70/01/03/460700103.db2.gz KGZOWPWSRCVLFZ-INIZCTEOSA-N 0 0 328.372 3.137 10 5 EGBERN O=C(N[C@@H](CCO)C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270263599 455916453 /nfs/dbraw/zinc/91/64/53/455916453.db2.gz KFPQWEFPBDCYPE-INIZCTEOSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1c(NCc2cncn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280317072 455946207 /nfs/dbraw/zinc/94/62/07/455946207.db2.gz CZOGNZMTNHMLPN-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN C[C@@]12CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]1C2(Cl)Cl ZINC000286149700 455988515 /nfs/dbraw/zinc/98/85/15/455988515.db2.gz BCVSDXKGTFOXCW-WCQYABFASA-N 0 0 341.198 3.491 10 5 EGBERN CCc1nnc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000270742214 456027981 /nfs/dbraw/zinc/02/79/81/456027981.db2.gz VGCZKTMVVSFISA-SSDOTTSWSA-N 0 0 340.181 3.211 10 5 EGBERN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780220 456037243 /nfs/dbraw/zinc/03/72/43/456037243.db2.gz ONSLUYXHLRXOTP-ZBFHGGJFSA-N 0 0 334.326 3.125 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 ZINC000270785294 456038305 /nfs/dbraw/zinc/03/83/05/456038305.db2.gz VDGIILKVWVKILV-UHFFFAOYSA-N 0 0 343.343 3.019 10 5 EGBERN CN1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800788 456042257 /nfs/dbraw/zinc/04/22/57/456042257.db2.gz UGIUXMTYQHPJRH-HIFRSBDPSA-N 0 0 334.326 3.125 10 5 EGBERN Cc1cnc(CCN(C)c2ncnc3sc([N+](=O)[O-])cc32)s1 ZINC000286426608 456046240 /nfs/dbraw/zinc/04/62/40/456046240.db2.gz HSLWVMBGVFAJDO-UHFFFAOYSA-N 0 0 335.414 3.043 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]1c1ccccc1 ZINC000601105634 460711863 /nfs/dbraw/zinc/71/18/63/460711863.db2.gz JWBHVJPGLUIKOK-SNVBAGLBSA-N 0 0 326.278 3.299 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn2ccnc2s1 ZINC000188374540 456052585 /nfs/dbraw/zinc/05/25/85/456052585.db2.gz ZGDPMNRQFIBSGT-UHFFFAOYSA-N 0 0 344.396 3.355 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000270863971 456055687 /nfs/dbraw/zinc/05/56/87/456055687.db2.gz AGWLUCOXEOIMCZ-UHFFFAOYSA-N 0 0 345.786 3.474 10 5 EGBERN C[C@@H](Oc1ccc2c(c1)CCCNC2=O)c1cccc([N+](=O)[O-])c1 ZINC000270881198 456058254 /nfs/dbraw/zinc/05/82/54/456058254.db2.gz FHCPENQSKBIDFM-GFCCVEGCSA-N 0 0 326.352 3.411 10 5 EGBERN O=C(c1ccccc1)c1ccc(NC[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000301334840 456092712 /nfs/dbraw/zinc/09/27/12/456092712.db2.gz CMZKBSXKPZNVON-MAUKXSAKSA-N 0 0 340.379 3.399 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000601101321 460710414 /nfs/dbraw/zinc/71/04/14/460710414.db2.gz XKMNCAXIVOQIPZ-CYBMUJFWSA-N 0 0 345.330 3.242 10 5 EGBERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301435175 456114515 /nfs/dbraw/zinc/11/45/15/456114515.db2.gz KCNIAZMBSGOMRN-FZMZJTMJSA-N 0 0 328.372 3.160 10 5 EGBERN CCSCC[C@@H](C)N(C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281125827 456140287 /nfs/dbraw/zinc/14/02/87/456140287.db2.gz IASNCWBIAOYRMB-SNVBAGLBSA-N 0 0 336.417 3.212 10 5 EGBERN COC[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188969726 456184896 /nfs/dbraw/zinc/18/48/96/456184896.db2.gz OFUKTXYZDGSJQI-ZDUSSCGKSA-N 0 0 344.367 3.395 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C12CCC2 ZINC000301700918 456190981 /nfs/dbraw/zinc/19/09/81/456190981.db2.gz SKYCJXTXQMSEJN-LSDHHAIUSA-N 0 0 348.399 3.449 10 5 EGBERN C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000297344666 456192344 /nfs/dbraw/zinc/19/23/44/456192344.db2.gz BCRPPYCDLONUFP-CXAGYDPISA-N 0 0 337.383 3.427 10 5 EGBERN COc1cc(N(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000273199143 456212377 /nfs/dbraw/zinc/21/23/77/456212377.db2.gz SEAMJDGNTSUBIO-SECBINFHSA-N 0 0 325.365 3.439 10 5 EGBERN Cc1ccccc1C(=O)NC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301936940 456254229 /nfs/dbraw/zinc/25/42/29/456254229.db2.gz QSXYZAZLKFWTOF-UHFFFAOYSA-N 0 0 345.424 3.364 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CCc3cnn(C)c3C2)cc1[N+](=O)[O-] ZINC000281584757 456270538 /nfs/dbraw/zinc/27/05/38/456270538.db2.gz QMJZDKZZQOWPRU-JSGCOSHPSA-N 0 0 343.383 3.046 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302047078 456275950 /nfs/dbraw/zinc/27/59/50/456275950.db2.gz YONVUQDRZQREGW-UHFFFAOYSA-N 0 0 339.399 3.456 10 5 EGBERN CC(C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000297781113 456293267 /nfs/dbraw/zinc/29/32/67/456293267.db2.gz JZYCUDNYEULTIU-UHFFFAOYSA-N 0 0 329.278 3.076 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000275755691 456304953 /nfs/dbraw/zinc/30/49/53/456304953.db2.gz DXDQMQKFNXRTAN-LLVKDONJSA-N 0 0 326.780 3.244 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136932 460726847 /nfs/dbraw/zinc/72/68/47/460726847.db2.gz NFBAAQFQLNXFRV-GFCCVEGCSA-N 0 0 348.353 3.151 10 5 EGBERN CC(C)C[C@H](CO)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000302358186 456336912 /nfs/dbraw/zinc/33/69/12/456336912.db2.gz FCBKXJACWYGRTJ-LLVKDONJSA-N 0 0 331.210 3.201 10 5 EGBERN COc1cccc([C@H]2CN(c3cccc(C)c3[N+](=O)[O-])CCO2)c1 ZINC000302469729 456346083 /nfs/dbraw/zinc/34/60/83/456346083.db2.gz CNPCRBIGGMIKLP-QGZVFWFLSA-N 0 0 328.368 3.490 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC[C@@H]1CCCCO1 ZINC000601142226 460729540 /nfs/dbraw/zinc/72/95/40/460729540.db2.gz NWJRFBRSCOMONE-VIFPVBQESA-N 0 0 336.314 3.108 10 5 EGBERN Cc1cccc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000302514415 456352651 /nfs/dbraw/zinc/35/26/51/456352651.db2.gz URSDNUNNIOWENN-OAHLLOKOSA-N 0 0 331.416 3.496 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000275927076 456353033 /nfs/dbraw/zinc/35/30/33/456353033.db2.gz ZGBJUYQDGBXTRB-GFCCVEGCSA-N 0 0 338.791 3.388 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CCN(CC(F)(F)F)CC1 ZINC000302558256 456359184 /nfs/dbraw/zinc/35/91/84/456359184.db2.gz MCAHMSRTYZVTCB-SNVBAGLBSA-N 0 0 332.326 3.065 10 5 EGBERN C[C@@H](C1CC1)n1cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cn1 ZINC000601147829 460730183 /nfs/dbraw/zinc/73/01/83/460730183.db2.gz XVWHBSKFGMNEAT-ZETCQYMHSA-N 0 0 344.297 3.258 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055873 456376457 /nfs/dbraw/zinc/37/64/57/456376457.db2.gz UOLMFOZNJVNZCC-POYBYMJQSA-N 0 0 332.307 3.377 10 5 EGBERN CC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)O1 ZINC000601149546 460731886 /nfs/dbraw/zinc/73/18/86/460731886.db2.gz NXXMRDYUOIYLAD-BBRMVZONSA-N 0 0 332.400 3.042 10 5 EGBERN Cc1ccc(F)cc1Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302780485 456398243 /nfs/dbraw/zinc/39/82/43/456398243.db2.gz RIFGPDTXWHQBRV-UHFFFAOYSA-N 0 0 325.317 3.238 10 5 EGBERN COc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1O ZINC000352911705 456407874 /nfs/dbraw/zinc/40/78/74/456407874.db2.gz MRBDFLIHAWLXEM-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN COC(=O)c1cc(CNc2cc(F)ccc2[N+](=O)[O-])ccc1OC ZINC000302823230 456410046 /nfs/dbraw/zinc/41/00/46/456410046.db2.gz URIICKCCELNJOC-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CC(=O)Nc1cccc2c1CCN(c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000302820067 456410339 /nfs/dbraw/zinc/41/03/39/456410339.db2.gz OYZXAXFACQLNOK-UHFFFAOYSA-N 0 0 329.331 3.255 10 5 EGBERN CC(C)(C)OC(=O)N1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302825800 456411297 /nfs/dbraw/zinc/41/12/97/456411297.db2.gz ZKIBCIHPGSYUON-UHFFFAOYSA-N 0 0 339.367 3.181 10 5 EGBERN CC(=O)c1ccc(NCc2ccnc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000343142283 456431361 /nfs/dbraw/zinc/43/13/61/456431361.db2.gz SDJMUNXPWVTUTF-UHFFFAOYSA-N 0 0 337.282 3.406 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282237597 456451312 /nfs/dbraw/zinc/45/13/12/456451312.db2.gz LQKHNSABECAKJK-ZDUSSCGKSA-N 0 0 341.415 3.094 10 5 EGBERN Cc1cc2c(cc1C)N(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000343260674 456491189 /nfs/dbraw/zinc/49/11/89/456491189.db2.gz CHJVSBMKCSJGIC-UHFFFAOYSA-N 0 0 346.408 3.309 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H](O)C(F)(F)F)c(Br)c1 ZINC000343262607 456491849 /nfs/dbraw/zinc/49/18/49/456491849.db2.gz YZNIPDSWMCIZBL-VIFPVBQESA-N 0 0 343.099 3.083 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000276540959 456510942 /nfs/dbraw/zinc/51/09/42/456510942.db2.gz GFOIEPJQOMBJGL-JTQLQIEISA-N 0 0 326.780 3.196 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CSCCS1 ZINC000276613790 456531458 /nfs/dbraw/zinc/53/14/58/456531458.db2.gz PVDYYCTVPMMNGQ-SNVBAGLBSA-N 0 0 346.861 3.135 10 5 EGBERN Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000337795196 456551835 /nfs/dbraw/zinc/55/18/35/456551835.db2.gz FRTIUXLKALECCZ-UHFFFAOYSA-N 0 0 349.394 3.434 10 5 EGBERN COC(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000298905655 456566949 /nfs/dbraw/zinc/56/69/49/456566949.db2.gz AWNIZPMOLCMOIY-CQSZACIVSA-N 0 0 334.375 3.023 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000348254107 456572936 /nfs/dbraw/zinc/57/29/36/456572936.db2.gz MFMURQRWUZAIDS-UHFFFAOYSA-N 0 0 339.395 3.006 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000299280244 456647883 /nfs/dbraw/zinc/64/78/83/456647883.db2.gz NTQBTUXPBVGLCX-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN CCOCc1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000291662937 456712481 /nfs/dbraw/zinc/71/24/81/456712481.db2.gz VNKXEVAIZODBJY-VIFPVBQESA-N 0 0 340.767 3.019 10 5 EGBERN CO[C@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000338289894 456748214 /nfs/dbraw/zinc/74/82/14/456748214.db2.gz IHLWWOPBGDSQBB-QGZVFWFLSA-N 0 0 347.802 3.389 10 5 EGBERN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353559493 456759676 /nfs/dbraw/zinc/75/96/76/456759676.db2.gz FRHIQRMVZUSVPK-CQSZACIVSA-N 0 0 331.441 3.363 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610007 456802192 /nfs/dbraw/zinc/80/21/92/456802192.db2.gz VKPUIFDFRPNBSG-JKSUJKDBSA-N 0 0 326.400 3.340 10 5 EGBERN CN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301201632 456821034 /nfs/dbraw/zinc/82/10/34/456821034.db2.gz WSDRCSGLJQUOKK-INIZCTEOSA-N 0 0 340.379 3.441 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301222644 456824985 /nfs/dbraw/zinc/82/49/85/456824985.db2.gz CXWOABPEANJTSU-CQSZACIVSA-N 0 0 341.367 3.072 10 5 EGBERN CCN(C[C@@H]1CCCO1)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301230450 456827460 /nfs/dbraw/zinc/82/74/60/456827460.db2.gz JCKJAJQBGZKLAJ-INIZCTEOSA-N 0 0 342.399 3.366 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C2CC2)n1 ZINC000353689423 456856140 /nfs/dbraw/zinc/85/61/40/456856140.db2.gz CAQUOYBUSQWZBT-UHFFFAOYSA-N 0 0 326.356 3.308 10 5 EGBERN CC(C)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nc1 ZINC000353840114 456930745 /nfs/dbraw/zinc/93/07/45/456930745.db2.gz DTFQIUWCWSFIEO-UHFFFAOYSA-N 0 0 325.328 3.149 10 5 EGBERN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000339088695 456935797 /nfs/dbraw/zinc/93/57/97/456935797.db2.gz ZXCNSCVKAJDHQL-FTLABTOESA-N 0 0 328.368 3.343 10 5 EGBERN CO[C@](C)(c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000353866112 456941343 /nfs/dbraw/zinc/94/13/43/456941343.db2.gz JVSYMDVJKLQVPY-AWEZNQCLSA-N 0 0 339.298 3.390 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000339180944 456980694 /nfs/dbraw/zinc/98/06/94/456980694.db2.gz LCSWJUKUEIMRTG-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000339195366 456986329 /nfs/dbraw/zinc/98/63/29/456986329.db2.gz MNRMVDMLRTYLPY-SNVBAGLBSA-N 0 0 335.310 3.410 10 5 EGBERN Cn1c(=O)ccc2ccc(NCc3c(F)cc([N+](=O)[O-])cc3F)cc21 ZINC000349746406 457035943 /nfs/dbraw/zinc/03/59/43/457035943.db2.gz HJECKAVGSDTCOC-UHFFFAOYSA-N 0 0 345.305 3.337 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCc3c2c(F)ccc3F)c2c(c1)COCO2 ZINC000339294935 457045658 /nfs/dbraw/zinc/04/56/58/457045658.db2.gz APXSJOFHIPBXRU-UHFFFAOYSA-N 0 0 348.305 3.302 10 5 EGBERN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330839624 457093337 /nfs/dbraw/zinc/09/33/37/457093337.db2.gz VQUJZCWPOCXPSF-KOLCDFICSA-N 0 0 328.315 3.457 10 5 EGBERN COC1CCC(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000362821112 457109765 /nfs/dbraw/zinc/10/97/65/457109765.db2.gz VEFHULCMCXKYDA-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCCc2occc21 ZINC000342110268 457112871 /nfs/dbraw/zinc/11/28/71/457112871.db2.gz YGXWUVQBHKSIIT-AWEZNQCLSA-N 0 0 336.294 3.202 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000356808854 457178639 /nfs/dbraw/zinc/17/86/39/457178639.db2.gz LNNMVTYYXUDIPT-UHFFFAOYSA-N 0 0 337.129 3.315 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc(CC2CC2)nc1 ZINC000346853178 457185795 /nfs/dbraw/zinc/18/57/95/457185795.db2.gz RRVOUPVMIMYGJS-UHFFFAOYSA-N 0 0 341.371 3.001 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346961521 457192223 /nfs/dbraw/zinc/19/22/23/457192223.db2.gz WVBDHOYIDLQAFW-LBPRGKRZSA-N 0 0 334.294 3.310 10 5 EGBERN CC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342308912 457227994 /nfs/dbraw/zinc/22/79/94/457227994.db2.gz USPKLKBGRNBTBV-GFCCVEGCSA-N 0 0 341.367 3.087 10 5 EGBERN CN(CCn1cccn1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347165418 457264896 /nfs/dbraw/zinc/26/48/96/457264896.db2.gz IDTWYTOMXWNDBC-UHFFFAOYSA-N 0 0 345.403 3.253 10 5 EGBERN CO[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000354537595 457277240 /nfs/dbraw/zinc/27/72/40/457277240.db2.gz QHICLKZQWWRZJM-YVEFUNNKSA-N 0 0 344.367 3.174 10 5 EGBERN C[C@@H]1CCCc2ncc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)n21 ZINC000351458040 457293439 /nfs/dbraw/zinc/29/34/39/457293439.db2.gz WKDQIHAQLAMJAA-SNVBAGLBSA-N 0 0 325.328 3.406 10 5 EGBERN C[C@H]1CCCc2ncc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)n21 ZINC000351458039 457294013 /nfs/dbraw/zinc/29/40/13/457294013.db2.gz WKDQIHAQLAMJAA-JTQLQIEISA-N 0 0 325.328 3.406 10 5 EGBERN COc1cc(CNc2ccccc2N(C)C(C)=O)ccc1[N+](=O)[O-] ZINC000352019375 457331812 /nfs/dbraw/zinc/33/18/12/457331812.db2.gz APVJLWCMHGKENS-UHFFFAOYSA-N 0 0 329.356 3.198 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(C2CCCCC2)n[nH]1 ZINC000340122776 457338063 /nfs/dbraw/zinc/33/80/63/457338063.db2.gz MKTKTSPTIPYTFQ-UHFFFAOYSA-N 0 0 328.372 3.296 10 5 EGBERN Cc1cnc([C@@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000342520691 457348286 /nfs/dbraw/zinc/34/82/86/457348286.db2.gz QNVBBEUTMLUCGJ-MRVPVSSYSA-N 0 0 341.339 3.058 10 5 EGBERN CCC1(CC)CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[S@]1=O ZINC000352360717 457356665 /nfs/dbraw/zinc/35/66/65/457356665.db2.gz OQZUBBMFSRWFJJ-XMMPIXPASA-N 0 0 347.440 3.271 10 5 EGBERN C[C@H](N(Cc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000347367608 457379156 /nfs/dbraw/zinc/37/91/56/457379156.db2.gz JDMDNHNBPMYWAW-ZDUSSCGKSA-N 0 0 344.415 3.405 10 5 EGBERN O=[N+]([O-])c1c(N[C@H](c2ccccc2)[C@H]2CCOC2)nc2sccn21 ZINC000378412883 457395845 /nfs/dbraw/zinc/39/58/45/457395845.db2.gz SFPPKSZUDRJLJU-QWHCGFSZSA-N 0 0 344.396 3.494 10 5 EGBERN Cc1c(Br)c(SC2CCOCC2)ncc1[N+](=O)[O-] ZINC000347409036 457409075 /nfs/dbraw/zinc/40/90/75/457409075.db2.gz GCSJOBACMXJRFQ-UHFFFAOYSA-N 0 0 333.207 3.332 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)cc1 ZINC000363750210 457439475 /nfs/dbraw/zinc/43/94/75/457439475.db2.gz KBPSILGHZIFYFM-CQSZACIVSA-N 0 0 325.368 3.115 10 5 EGBERN Cc1ccnc(N2CCC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000369974327 457484566 /nfs/dbraw/zinc/48/45/66/457484566.db2.gz OKFUWBSYIAWLEX-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN O=[N+]([O-])c1cnccc1Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000360989993 457493342 /nfs/dbraw/zinc/49/33/42/457493342.db2.gz HXWWJDOWEAQDSA-UHFFFAOYSA-N 0 0 335.295 3.204 10 5 EGBERN Cc1ccc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cn1 ZINC000356159348 457495813 /nfs/dbraw/zinc/49/58/13/457495813.db2.gz BVFLCGJHJWIYHW-UHFFFAOYSA-N 0 0 335.323 3.420 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000357405254 457500421 /nfs/dbraw/zinc/50/04/21/457500421.db2.gz XVOVXPMIABCIAE-MNOVXSKESA-N 0 0 346.305 3.163 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncsc1Br ZINC000361025383 457521389 /nfs/dbraw/zinc/52/13/89/457521389.db2.gz BGZVKCKKQKOIAF-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCCSCC1 ZINC000425421605 457546082 /nfs/dbraw/zinc/54/60/82/457546082.db2.gz NXWKSQLTGVFBRL-UHFFFAOYSA-N 0 0 331.235 3.296 10 5 EGBERN Cc1cscc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000347629215 457560949 /nfs/dbraw/zinc/56/09/49/457560949.db2.gz MWQCGOKBTMNQHA-UHFFFAOYSA-N 0 0 342.323 3.496 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccc2cc[nH]c2n1 ZINC000357578582 457603418 /nfs/dbraw/zinc/60/34/18/457603418.db2.gz HRYLLKYCPQAXEC-UHFFFAOYSA-N 0 0 337.261 3.497 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000357589568 457609636 /nfs/dbraw/zinc/60/96/36/457609636.db2.gz CNPCEWCOQFPDPO-YJBOKZPZSA-N 0 0 327.384 3.185 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425641500 457620359 /nfs/dbraw/zinc/62/03/59/457620359.db2.gz VYJWWYYYMAKGAW-AYMMMOKOSA-N 0 0 327.287 3.116 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000370363590 457630797 /nfs/dbraw/zinc/63/07/97/457630797.db2.gz UQJJIEZPASBUMQ-IBGZPJMESA-N 0 0 340.379 3.407 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1csc([N+](=O)[O-])c1 ZINC000374498626 457641732 /nfs/dbraw/zinc/64/17/32/457641732.db2.gz WEQARGAKUOCZIU-WFASDCNBSA-N 0 0 332.381 3.164 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)Cc2cccc(OC)c2)cccc1[N+](=O)[O-] ZINC000361222460 457652227 /nfs/dbraw/zinc/65/22/27/457652227.db2.gz YENHVJVSHOIOBW-LBPRGKRZSA-N 0 0 343.383 3.006 10 5 EGBERN CC(C)COC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361267815 457673419 /nfs/dbraw/zinc/67/34/19/457673419.db2.gz SGHWYGWDESJHGE-UHFFFAOYSA-N 0 0 332.404 3.108 10 5 EGBERN COc1cccc(N2CCC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000370567563 457674536 /nfs/dbraw/zinc/67/45/36/457674536.db2.gz GWWNRLUTVHUQFL-IBGZPJMESA-N 0 0 342.395 3.134 10 5 EGBERN Cc1sc(C(=O)Nc2cccnc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000364982570 457721156 /nfs/dbraw/zinc/72/11/56/457721156.db2.gz LRZPPGHFHBHYIT-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCc1nc([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000370932696 457739601 /nfs/dbraw/zinc/73/96/01/457739601.db2.gz BJCRGZDJWNTOQS-AWEZNQCLSA-N 0 0 344.371 3.216 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410705313 457746328 /nfs/dbraw/zinc/74/63/28/457746328.db2.gz OZGWUSSLLUBJQL-SUMWQHHRSA-N 0 0 343.383 3.017 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410706449 457746530 /nfs/dbraw/zinc/74/65/30/457746530.db2.gz UVEXACFMTUTDCM-JTQLQIEISA-N 0 0 337.326 3.493 10 5 EGBERN CCCC1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443695980 457803634 /nfs/dbraw/zinc/80/36/34/457803634.db2.gz FTZFKBWMNTXHEG-UHFFFAOYSA-N 0 0 340.445 3.373 10 5 EGBERN CC(C)[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443781185 457810114 /nfs/dbraw/zinc/81/01/14/457810114.db2.gz PEPYLVVTLRGMFF-HNNXBMFYSA-N 0 0 340.445 3.183 10 5 EGBERN CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766015 457810547 /nfs/dbraw/zinc/81/05/47/457810547.db2.gz SBKQHERQVUAUKG-BBRMVZONSA-N 0 0 340.445 3.325 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361788195 457860510 /nfs/dbraw/zinc/86/05/10/457860510.db2.gz LXBQCIWTQFPJBL-RHSMWYFYSA-N 0 0 341.367 3.494 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@]2(C1)CCCOC2 ZINC000375352488 457893651 /nfs/dbraw/zinc/89/36/51/457893651.db2.gz IJIMDKSWWSCQDZ-KRWDZBQOSA-N 0 0 346.408 3.452 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000375548875 457968023 /nfs/dbraw/zinc/96/80/23/457968023.db2.gz NDQMBAUHYAANSF-GFCCVEGCSA-N 0 0 347.415 3.393 10 5 EGBERN CN(Cc1ccccn1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445181770 458023243 /nfs/dbraw/zinc/02/32/43/458023243.db2.gz HXOACDVWARHUFX-UHFFFAOYSA-N 0 0 343.386 3.349 10 5 EGBERN O=C1C[C@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992130 458038219 /nfs/dbraw/zinc/03/82/19/458038219.db2.gz UWAONKDBCVJAHT-KRWDZBQOSA-N 0 0 344.392 3.266 10 5 EGBERN Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744657 458057586 /nfs/dbraw/zinc/05/75/86/458057586.db2.gz ATOJSXYAVMDPPF-PKOBYXMFSA-N 0 0 326.396 3.426 10 5 EGBERN CCc1nn(C)c(N2CC=C(c3cccc(OC)c3)CC2)c1[N+](=O)[O-] ZINC000362335007 458111365 /nfs/dbraw/zinc/11/13/65/458111365.db2.gz JJTOKDJUKPWXDF-UHFFFAOYSA-N 0 0 342.399 3.193 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412211749 458129463 /nfs/dbraw/zinc/12/94/63/458129463.db2.gz BPXNTMIFEUVZKL-FUHWJXTLSA-N 0 0 328.343 3.138 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCCN(c2ccccc2F)CC1 ZINC000376235642 458243852 /nfs/dbraw/zinc/24/38/52/458243852.db2.gz UYXHZFHLPKYUBS-UHFFFAOYSA-N 0 0 330.363 3.154 10 5 EGBERN COc1cc2c(cc1F)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000436350861 458293683 /nfs/dbraw/zinc/29/36/83/458293683.db2.gz XBGXAEMYRCSEEN-UHFFFAOYSA-N 0 0 343.358 3.273 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCC[C@H]1COc3ccccc3O1)CCN2 ZINC000436402695 458300150 /nfs/dbraw/zinc/30/01/50/458300150.db2.gz ZXWRRICTJDTSPF-LBPRGKRZSA-N 0 0 341.367 3.205 10 5 EGBERN CC[C@H](NC(=O)c1ccc(OC)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000436577863 458336435 /nfs/dbraw/zinc/33/64/35/458336435.db2.gz VWWSLKFLUJEAKJ-HNNXBMFYSA-N 0 0 330.340 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215669 458422735 /nfs/dbraw/zinc/42/27/35/458422735.db2.gz CNJXMRBPOFWNGC-ZDUSSCGKSA-N 0 0 332.322 3.445 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000373202942 458428862 /nfs/dbraw/zinc/42/88/62/458428862.db2.gz NCDUSFSIAUUOIW-DNVCBOLYSA-N 0 0 342.395 3.471 10 5 EGBERN CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000437703362 458483911 /nfs/dbraw/zinc/48/39/11/458483911.db2.gz PGZTWYDUTYGGJF-ZDUSSCGKSA-N 0 0 332.447 3.247 10 5 EGBERN CO[C@@H](Cc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000459984882 458494283 /nfs/dbraw/zinc/49/42/83/458494283.db2.gz IUBHRDDIBUVPIP-UGSOOPFHSA-N 0 0 340.379 3.130 10 5 EGBERN Cc1c(NC(=O)[C@H]2CO[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431176592 458539761 /nfs/dbraw/zinc/53/97/61/458539761.db2.gz VAWYWXMMCVRKJL-VXNVDRBHSA-N 0 0 343.177 3.029 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438149460 458542423 /nfs/dbraw/zinc/54/24/23/458542423.db2.gz UFQRTYBJSRUNIR-NVGCLXPQSA-N 0 0 326.352 3.278 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424294501 458606915 /nfs/dbraw/zinc/60/69/15/458606915.db2.gz OYFLQURDCBFUMJ-SZMVWBNQSA-N 0 0 340.427 3.444 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000439162701 458665333 /nfs/dbraw/zinc/66/53/33/458665333.db2.gz ZSTZMWSJMGXCGA-AAEUAGOBSA-N 0 0 338.791 3.198 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2nsnc2c1 ZINC000502764849 458667178 /nfs/dbraw/zinc/66/71/78/458667178.db2.gz BSNOBCOCSXMGLY-SECBINFHSA-N 0 0 340.364 3.191 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471330745 458689822 /nfs/dbraw/zinc/68/98/22/458689822.db2.gz KWLBTVKCWRYSSB-KGLIPLIRSA-N 0 0 328.368 3.487 10 5 EGBERN CCSCc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000456484028 458691444 /nfs/dbraw/zinc/69/14/44/458691444.db2.gz GYJJMUGSLQUORM-UHFFFAOYSA-N 0 0 334.401 3.317 10 5 EGBERN Cc1ncc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000439413709 458699712 /nfs/dbraw/zinc/69/97/12/458699712.db2.gz YPWFNJUCIXTWMX-JTQLQIEISA-N 0 0 341.371 3.453 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000456560177 458714636 /nfs/dbraw/zinc/71/46/36/458714636.db2.gz JSFFOTIANPWIGW-OAHLLOKOSA-N 0 0 344.371 3.402 10 5 EGBERN C[C@@H](CO)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000494701058 458731441 /nfs/dbraw/zinc/73/14/41/458731441.db2.gz DWXNWJIGANJUDJ-STQMWFEESA-N 0 0 343.383 3.085 10 5 EGBERN Cc1nc(CC2CC2)oc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530400832 458762244 /nfs/dbraw/zinc/76/22/44/458762244.db2.gz RJRDCDQGPZIBQX-UHFFFAOYSA-N 0 0 341.367 3.042 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530431567 458766619 /nfs/dbraw/zinc/76/66/19/458766619.db2.gz VMCROSRZGOXXKE-IONNQARKSA-N 0 0 342.277 3.021 10 5 EGBERN COc1cc(CN2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769118 458789681 /nfs/dbraw/zinc/78/96/81/458789681.db2.gz VPVNKJXVAGHJEL-AOOOYVTPSA-N 0 0 330.331 3.230 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456867751 458805998 /nfs/dbraw/zinc/80/59/98/458805998.db2.gz BKXLVADHHGPAFB-GAFUQQFSSA-N 0 0 338.791 3.178 10 5 EGBERN CCc1ccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000566556520 458959017 /nfs/dbraw/zinc/95/90/17/458959017.db2.gz ODDCRJVRMGWXKL-HNNXBMFYSA-N 0 0 346.383 3.018 10 5 EGBERN O=C(Nc1cccc(-c2nccs2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531881210 458993994 /nfs/dbraw/zinc/99/39/94/458993994.db2.gz ZPYXJWBBFMNNFP-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(CC)CC ZINC000531887149 458995324 /nfs/dbraw/zinc/99/53/24/458995324.db2.gz BLZLQORHDSXDGE-CABCVRRESA-N 0 0 335.404 3.046 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)[C@@]12CCCO2 ZINC000567044859 459039540 /nfs/dbraw/zinc/03/95/40/459039540.db2.gz OGIOZQSLPMQFOB-JZXOWHBKSA-N 0 0 347.415 3.007 10 5 EGBERN Cc1ncn(CCCCc2noc(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC000594534849 459082218 /nfs/dbraw/zinc/08/22/18/459082218.db2.gz QEHBPVAPGWJCNT-UHFFFAOYSA-N 0 0 341.371 3.481 10 5 EGBERN Cc1ccccc1C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000590165974 459096392 /nfs/dbraw/zinc/09/63/92/459096392.db2.gz KQOHWGNGUNJMML-UHFFFAOYSA-N 0 0 340.426 3.178 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CC3)[C@@H]3CCCCO3)c2c1 ZINC000594589893 459100212 /nfs/dbraw/zinc/10/02/12/459100212.db2.gz FDQSFDHJHPMFSV-JKSUJKDBSA-N 0 0 328.372 3.298 10 5 EGBERN O=c1[nH]cnc2cc(N[C@H](C3CC3)[C@H]3CCCCO3)c([N+](=O)[O-])cc21 ZINC000594590684 459100906 /nfs/dbraw/zinc/10/09/06/459100906.db2.gz MUTAGPBUMVLPDS-HZPDHXFCSA-N 0 0 344.371 3.003 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1C(F)(F)F ZINC000590380164 459122948 /nfs/dbraw/zinc/12/29/48/459122948.db2.gz YVMVTEGYNJOCST-GZMMTYOYSA-N 0 0 334.319 3.239 10 5 EGBERN Cc1c(C(=O)N2CC(F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000590441469 459130707 /nfs/dbraw/zinc/13/07/07/459130707.db2.gz ZFJJZNSTRFQINW-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN Cc1ccc(C(=O)N2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000590441139 459130770 /nfs/dbraw/zinc/13/07/70/459130770.db2.gz VZIIFGFLOYGCFV-UHFFFAOYSA-N 0 0 332.306 3.363 10 5 EGBERN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713165 459137548 /nfs/dbraw/zinc/13/75/48/459137548.db2.gz UGSRLGASWLDMJS-MNOVXSKESA-N 0 0 334.401 3.038 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000521408679 459149527 /nfs/dbraw/zinc/14/95/27/459149527.db2.gz OQENWDYIFRLSRR-CYBMUJFWSA-N 0 0 349.337 3.059 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000590573881 459152371 /nfs/dbraw/zinc/15/23/71/459152371.db2.gz IBRCMKGHZVDINL-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN COc1ccc([C@H](C)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC000594908415 459172592 /nfs/dbraw/zinc/17/25/92/459172592.db2.gz LOBLKQKPOIOMMZ-CYBMUJFWSA-N 0 0 342.395 3.448 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480058281 459180572 /nfs/dbraw/zinc/18/05/72/459180572.db2.gz WQCOPJXKPQHXSB-MRXNPFEDSA-N 0 0 349.431 3.394 10 5 EGBERN CC(C)[C@@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000480464359 459199690 /nfs/dbraw/zinc/19/96/90/459199690.db2.gz VSJQEGAIJWVEHH-HNNXBMFYSA-N 0 0 326.343 3.309 10 5 EGBERN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nccn1C ZINC000594996634 459210240 /nfs/dbraw/zinc/21/02/40/459210240.db2.gz UPEGIIZEFQGJDT-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595279093 459265804 /nfs/dbraw/zinc/26/58/04/459265804.db2.gz HJYDVUOJLAFXJP-OAHLLOKOSA-N 0 0 340.379 3.455 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000590917151 459267651 /nfs/dbraw/zinc/26/76/51/459267651.db2.gz YGJRGZADPGQMLD-WBVHZDCISA-N 0 0 325.368 3.398 10 5 EGBERN CC(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000595365839 459284077 /nfs/dbraw/zinc/28/40/77/459284077.db2.gz YYVLUTNXDOBVNW-UHFFFAOYSA-N 0 0 344.820 3.105 10 5 EGBERN CC(C)[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000595427551 459297873 /nfs/dbraw/zinc/29/78/73/459297873.db2.gz ZKLIQSZCYCCIHI-MRXNPFEDSA-N 0 0 343.362 3.264 10 5 EGBERN Cc1noc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595477987 459317639 /nfs/dbraw/zinc/31/76/39/459317639.db2.gz XBYJURWRUVCBMU-LLVKDONJSA-N 0 0 333.310 3.446 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595478341 459318131 /nfs/dbraw/zinc/31/81/31/459318131.db2.gz UHZPDVQZVKSYBR-ZDUSSCGKSA-N 0 0 345.374 3.473 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000591173775 459327935 /nfs/dbraw/zinc/32/79/35/459327935.db2.gz UFEGENRSMJHULC-ZDUSSCGKSA-N 0 0 345.321 3.175 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000595541002 459339282 /nfs/dbraw/zinc/33/92/82/459339282.db2.gz BDEPVBJUBNMESG-QWRGUYRKSA-N 0 0 334.401 3.481 10 5 EGBERN Cc1ccncc1CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544175 459341206 /nfs/dbraw/zinc/34/12/06/459341206.db2.gz MZEYUFMCXUCQPO-AWEZNQCLSA-N 0 0 342.399 3.210 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(C2CCC2)CC1 ZINC000595576543 459353570 /nfs/dbraw/zinc/35/35/70/459353570.db2.gz ZRZPLICWHZCGSG-UHFFFAOYSA-N 0 0 331.416 3.359 10 5 EGBERN COc1nccc(CSCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000591380728 459366428 /nfs/dbraw/zinc/36/64/28/459366428.db2.gz IWGJUKPVIRXDPS-UHFFFAOYSA-N 0 0 335.385 3.096 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cscn1 ZINC000595666792 459389362 /nfs/dbraw/zinc/38/93/62/459389362.db2.gz CQTQPNUSSYEZBE-LLVKDONJSA-N 0 0 334.401 3.039 10 5 EGBERN CC[C@H](NC(=O)NCCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000595734623 459418645 /nfs/dbraw/zinc/41/86/45/459418645.db2.gz UQAMCJOQQSXXBK-KRWDZBQOSA-N 0 0 342.399 3.291 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595753742 459426157 /nfs/dbraw/zinc/42/61/57/459426157.db2.gz UDPGAEDLUUIYTB-ZOBUZTSGSA-N 0 0 347.415 3.051 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)nc1-c1ccc(F)cc1 ZINC000485404790 459453836 /nfs/dbraw/zinc/45/38/36/459453836.db2.gz LFGJUNOICLSQAG-UHFFFAOYSA-N 0 0 326.331 3.201 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCOC2)nc1-c1ccc(F)cc1 ZINC000485419210 459455281 /nfs/dbraw/zinc/45/52/81/459455281.db2.gz RZSLBQCBTPOYIT-LBPRGKRZSA-N 0 0 331.347 3.056 10 5 EGBERN CC(C)[C@H](CO)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000485504834 459457684 /nfs/dbraw/zinc/45/76/84/459457684.db2.gz NMENDBRBJICMLK-LBPRGKRZSA-N 0 0 337.420 3.278 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595839410 459460980 /nfs/dbraw/zinc/46/09/80/459460980.db2.gz FUQUSOPFWFNNPJ-ZFWWWQNUSA-N 0 0 335.404 3.160 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCCOCC(F)(F)F)CCCC2 ZINC000591897093 459471767 /nfs/dbraw/zinc/47/17/67/459471767.db2.gz YVHUHUBIRUXIGR-UHFFFAOYSA-N 0 0 333.310 3.250 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000591910976 459480794 /nfs/dbraw/zinc/48/07/94/459480794.db2.gz HUNWPPXZYSADOG-KYOSRNDESA-N 0 0 335.404 3.301 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000595902410 459481713 /nfs/dbraw/zinc/48/17/13/459481713.db2.gz JHDQRPOTDLSLPM-CYBMUJFWSA-N 0 0 339.395 3.121 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595921624 459487087 /nfs/dbraw/zinc/48/70/87/459487087.db2.gz XNSBPMAPLOOXJY-BZNIZROVSA-N 0 0 344.358 3.238 10 5 EGBERN C[C@H](NC(=O)N1CC(C)(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000591925704 459487602 /nfs/dbraw/zinc/48/76/02/459487602.db2.gz LJIRXTMJRVNLSP-JTQLQIEISA-N 0 0 327.331 3.343 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000591976300 459501905 /nfs/dbraw/zinc/50/19/05/459501905.db2.gz QHFOAPGFHFCTDP-QGZVFWFLSA-N 0 0 343.383 3.038 10 5 EGBERN Cc1cc(NCC(C)(C)[C@@]2(O)CCOC2)c2cccc([N+](=O)[O-])c2n1 ZINC000591987401 459505453 /nfs/dbraw/zinc/50/54/53/459505453.db2.gz KDXLMFNPIRVJKV-GOSISDBHSA-N 0 0 345.399 3.041 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000591997598 459508867 /nfs/dbraw/zinc/50/88/67/459508867.db2.gz BLFQBUIPZZKCKC-AWEZNQCLSA-N 0 0 338.429 3.157 10 5 EGBERN O=C(NC1CC1)c1ccc(NCC2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000591995535 459508904 /nfs/dbraw/zinc/50/89/04/459508904.db2.gz ZNBSRTDTTPSSNC-UHFFFAOYSA-N 0 0 335.379 3.427 10 5 EGBERN Cc1c(CNC(=O)N2CC(C)(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000592017619 459512145 /nfs/dbraw/zinc/51/21/45/459512145.db2.gz WOICKEQIRLXVFS-UHFFFAOYSA-N 0 0 327.331 3.090 10 5 EGBERN COC(=O)c1cccc2c1CN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000592158331 459539777 /nfs/dbraw/zinc/53/97/77/459539777.db2.gz JVFNKAYIRJNAQE-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN C[C@H](O)[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596168970 459545476 /nfs/dbraw/zinc/54/54/76/459545476.db2.gz UTSVLCINGZCXMI-DCGLDWPTSA-N 0 0 343.383 3.077 10 5 EGBERN COc1cccc([C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCO2)c1 ZINC000596168163 459545534 /nfs/dbraw/zinc/54/55/34/459545534.db2.gz LTSRTICNXQMRIU-OAHLLOKOSA-N 0 0 349.774 3.230 10 5 EGBERN O=c1[nH]ccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000596187338 459553643 /nfs/dbraw/zinc/55/36/43/459553643.db2.gz QPOLPCIKQVWTEX-CYBMUJFWSA-N 0 0 343.387 3.497 10 5 EGBERN COc1ccc(NC(=O)NCC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000592246921 459560434 /nfs/dbraw/zinc/56/04/34/459560434.db2.gz MTCAXPXYLRTPLX-UHFFFAOYSA-N 0 0 325.340 3.253 10 5 EGBERN Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583567177 459560956 /nfs/dbraw/zinc/56/09/56/459560956.db2.gz LAGPDVVGFZADSQ-UHFFFAOYSA-N 0 0 349.431 3.160 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000592259042 459562012 /nfs/dbraw/zinc/56/20/12/459562012.db2.gz YRLJKZHDHGFMAC-INIZCTEOSA-N 0 0 339.392 3.056 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000596249791 459575197 /nfs/dbraw/zinc/57/51/97/459575197.db2.gz UAEJAJOJEXJONZ-JTQLQIEISA-N 0 0 328.752 3.014 10 5 EGBERN CCCOc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000527028845 459578299 /nfs/dbraw/zinc/57/82/99/459578299.db2.gz PPZMKJYZQAVEBK-UHFFFAOYSA-N 0 0 343.383 3.444 10 5 EGBERN Cc1noc(CSCCOCCOc2ccccc2)c1[N+](=O)[O-] ZINC000596330503 459598465 /nfs/dbraw/zinc/59/84/65/459598465.db2.gz SGZQVUYAKOMSIF-UHFFFAOYSA-N 0 0 338.385 3.220 10 5 EGBERN C[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ncnn21 ZINC000596342626 459602633 /nfs/dbraw/zinc/60/26/33/459602633.db2.gz IBFVZJPGVIEMQA-GMSGAONNSA-N 0 0 338.165 3.067 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542864966 459605948 /nfs/dbraw/zinc/60/59/48/459605948.db2.gz PMYIUPKOMNXYMK-UHFFFAOYSA-N 0 0 329.356 3.362 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000572997507 459608990 /nfs/dbraw/zinc/60/89/90/459608990.db2.gz XLZGFRDKMXUOTN-RFAUZJTJSA-N 0 0 342.345 3.488 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000572997506 459609236 /nfs/dbraw/zinc/60/92/36/459609236.db2.gz XLZGFRDKMXUOTN-PSLIRLAXSA-N 0 0 342.345 3.488 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000499157579 459625459 /nfs/dbraw/zinc/62/54/59/459625459.db2.gz QCVIQIZVIZMADL-MRVPVSSYSA-N 0 0 339.193 3.432 10 5 EGBERN Cc1c(-c2noc(Cn3cnc4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000562785599 459647725 /nfs/dbraw/zinc/64/77/25/459647725.db2.gz SUEHGQCPXWNJMK-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000596472966 459649345 /nfs/dbraw/zinc/64/93/45/459649345.db2.gz DFDONMSIHAMWGO-ZFWWWQNUSA-N 0 0 347.415 3.200 10 5 EGBERN CCOC(=O)c1ccnc(NCC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000596475948 459649974 /nfs/dbraw/zinc/64/99/74/459649974.db2.gz NSCBTBFLWHWKOY-CYBMUJFWSA-N 0 0 329.303 3.014 10 5 EGBERN Cc1cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c(O)cc1Cl ZINC000596484034 459653654 /nfs/dbraw/zinc/65/36/54/459653654.db2.gz RSDBJBZLFSCHHL-JTQLQIEISA-N 0 0 349.774 3.220 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596486962 459653949 /nfs/dbraw/zinc/65/39/49/459653949.db2.gz CJOLTHDBHOQTKA-SECBINFHSA-N 0 0 327.768 3.185 10 5 EGBERN CCc1nn(C)c(N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000596493781 459656015 /nfs/dbraw/zinc/65/60/15/459656015.db2.gz JZELSLFEVUTMFH-OLZOCXBDSA-N 0 0 336.436 3.429 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCC2 ZINC000596493055 459656154 /nfs/dbraw/zinc/65/61/54/459656154.db2.gz GHCWMYXTKBTJAV-GJZGRUSLSA-N 0 0 349.431 3.208 10 5 EGBERN COc1cc(NCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])cc1F ZINC000596505440 459660277 /nfs/dbraw/zinc/66/02/77/459660277.db2.gz YYARXPWXOLDOBB-UHFFFAOYSA-N 0 0 334.351 3.356 10 5 EGBERN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592671167 459660305 /nfs/dbraw/zinc/66/03/05/459660305.db2.gz DTEHBURCLOWTAW-SECBINFHSA-N 0 0 332.322 3.419 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596541124 459669987 /nfs/dbraw/zinc/66/99/87/459669987.db2.gz BEXMALLWWBEPMH-KRWDZBQOSA-N 0 0 327.384 3.467 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596543095 459671324 /nfs/dbraw/zinc/67/13/24/459671324.db2.gz SWEXEKMXOJLMMM-OGHNNQOOSA-N 0 0 343.383 3.077 10 5 EGBERN Cc1cc(NC[C@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596545208 459672025 /nfs/dbraw/zinc/67/20/25/459672025.db2.gz RGMAAOIRYGTBOH-CQSZACIVSA-N 0 0 342.399 3.009 10 5 EGBERN COc1cc(N(C)Cc2nnc(C)s2)c(Cl)cc1[N+](=O)[O-] ZINC000596557944 459676026 /nfs/dbraw/zinc/67/60/26/459676026.db2.gz ZWYFZXJWBKHFPW-UHFFFAOYSA-N 0 0 328.781 3.053 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCC(F)CC1 ZINC000592720116 459676152 /nfs/dbraw/zinc/67/61/52/459676152.db2.gz BKVXHHISWMWTGE-UHFFFAOYSA-N 0 0 333.363 3.263 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596559463 459677482 /nfs/dbraw/zinc/67/74/82/459677482.db2.gz YZTOFLLRBHPHMW-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1csc(C)c1 ZINC000592731625 459677876 /nfs/dbraw/zinc/67/78/76/459677876.db2.gz YYTCXJOQAPXINF-ZDUSSCGKSA-N 0 0 336.417 3.127 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592773187 459688373 /nfs/dbraw/zinc/68/83/73/459688373.db2.gz YCSLYVXOSWJQSH-ZDUSSCGKSA-N 0 0 344.415 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](OC)C3CCC3)n2)c1 ZINC000596593943 459688909 /nfs/dbraw/zinc/68/89/09/459688909.db2.gz WDLINXWJZRILOZ-OAHLLOKOSA-N 0 0 333.344 3.065 10 5 EGBERN Cc1ccc(C(C)(C)c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)nc1 ZINC000596618889 459700727 /nfs/dbraw/zinc/70/07/27/459700727.db2.gz DNQUPADLFVNPBR-UHFFFAOYSA-N 0 0 339.355 3.378 10 5 EGBERN CCOc1ccc(-c2nc(-c3nc(C)c(C)[nH]3)no2)cc1[N+](=O)[O-] ZINC000596621724 459701895 /nfs/dbraw/zinc/70/18/95/459701895.db2.gz QCVPJGGJPJTZHL-UHFFFAOYSA-N 0 0 329.316 3.050 10 5 EGBERN Cc1c(NC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000596636885 459708691 /nfs/dbraw/zinc/70/86/91/459708691.db2.gz YFJGGWCXXOWJTB-PSLIRLAXSA-N 0 0 343.330 3.180 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000596639598 459710716 /nfs/dbraw/zinc/71/07/16/459710716.db2.gz WWMZQWCSNSBDPE-UHFFFAOYSA-N 0 0 333.388 3.184 10 5 EGBERN CC1(C)C(=O)Nc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc21 ZINC000596647492 459713688 /nfs/dbraw/zinc/71/36/88/459713688.db2.gz NANUIUFYGWTUGD-UHFFFAOYSA-N 0 0 326.352 3.026 10 5 EGBERN CC(C)COC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573773262 459731704 /nfs/dbraw/zinc/73/17/04/459731704.db2.gz WLGAXDMDQWVLKW-CQSZACIVSA-N 0 0 334.416 3.362 10 5 EGBERN CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563207249 459739255 /nfs/dbraw/zinc/73/92/55/459739255.db2.gz NWMWFEFZYRBCPY-AWEZNQCLSA-N 0 0 335.404 3.360 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2ccc(C)nc2)c1 ZINC000593023839 459743706 /nfs/dbraw/zinc/74/37/06/459743706.db2.gz CKPRTOITNQJKAS-UHFFFAOYSA-N 0 0 343.383 3.110 10 5 EGBERN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000593022149 459743852 /nfs/dbraw/zinc/74/38/52/459743852.db2.gz CAJFGRQONJBKRQ-AWEZNQCLSA-N 0 0 347.371 3.227 10 5 EGBERN CSc1cccnc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000593030841 459747369 /nfs/dbraw/zinc/74/73/69/459747369.db2.gz NZOVHIWSWGQDGP-JTQLQIEISA-N 0 0 329.381 3.303 10 5 EGBERN O=C([C@H]1C[C@@H]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593032015 459747516 /nfs/dbraw/zinc/74/75/16/459747516.db2.gz QBPOPZDSSFREGX-MSOLQXFVSA-N 0 0 343.427 3.070 10 5 EGBERN CSc1cccnc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593059488 459759701 /nfs/dbraw/zinc/75/97/01/459759701.db2.gz VRFDLJLRVFVWGK-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593060216 459760263 /nfs/dbraw/zinc/76/02/63/459760263.db2.gz TWWOSTOJJRHYJE-GFCCVEGCSA-N 0 0 346.358 3.032 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](CCc3ccccc3)C2)n1 ZINC000544447790 459761923 /nfs/dbraw/zinc/76/19/23/459761923.db2.gz RDTVJUDAVVVBKD-QGZVFWFLSA-N 0 0 341.411 3.445 10 5 EGBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000596802309 459766320 /nfs/dbraw/zinc/76/63/20/459766320.db2.gz XSKSCGOZVSPUJQ-CYBMUJFWSA-N 0 0 344.314 3.340 10 5 EGBERN CC1=CC[C@](C)(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000596812032 459767974 /nfs/dbraw/zinc/76/79/74/459767974.db2.gz GSYOXTZFMCQREM-IBGZPJMESA-N 0 0 343.427 3.380 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@]4(CC4(F)F)C3)co2)cc1 ZINC000593119193 459779057 /nfs/dbraw/zinc/77/90/57/459779057.db2.gz VPNUFFPQJQJUIA-OAHLLOKOSA-N 0 0 335.310 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)c1ccc(F)cn1 ZINC000593184030 459799761 /nfs/dbraw/zinc/79/97/61/459799761.db2.gz SFOYWJZSQZUBBG-UHFFFAOYSA-N 0 0 347.346 3.440 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596945839 459802111 /nfs/dbraw/zinc/80/21/11/459802111.db2.gz JIYOZIINBNBBDW-JOCQHMNTSA-N 0 0 349.431 3.475 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)CSc2ccccc2)n1 ZINC000593217914 459810876 /nfs/dbraw/zinc/81/08/76/459810876.db2.gz DRZKAYZXVXIYSO-LBPRGKRZSA-N 0 0 348.428 3.064 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CC1)C1CCOCC1 ZINC000593251129 459820913 /nfs/dbraw/zinc/82/09/13/459820913.db2.gz MLZIVIUARYOMNT-OAHLLOKOSA-N 0 0 337.351 3.061 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCOC2 ZINC000597056150 459827080 /nfs/dbraw/zinc/82/70/80/459827080.db2.gz XJSVQDZMTBETHR-UHFFFAOYSA-N 0 0 341.367 3.032 10 5 EGBERN COCc1ccnc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000593291247 459831837 /nfs/dbraw/zinc/83/18/37/459831837.db2.gz SKRBGMXZUGZNNS-UHFFFAOYSA-N 0 0 344.371 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000593296889 459832922 /nfs/dbraw/zinc/83/29/22/459832922.db2.gz VHJHDZVNVZNFRL-YGRLFVJLSA-N 0 0 339.355 3.321 10 5 EGBERN CC(C)OCCCN(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093407 459836498 /nfs/dbraw/zinc/83/64/98/459836498.db2.gz SZEJHHAZVCVCOW-UHFFFAOYSA-N 0 0 344.799 3.109 10 5 EGBERN CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105049 459837235 /nfs/dbraw/zinc/83/72/35/459837235.db2.gz VBLZQYGEQSHFMD-QMMMGPOBSA-N 0 0 346.840 3.436 10 5 EGBERN CC(C)OCCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101760 459837357 /nfs/dbraw/zinc/83/73/57/459837357.db2.gz SYTCSNZBFYAYHE-UHFFFAOYSA-N 0 0 344.799 3.157 10 5 EGBERN COc1c(C(=O)N2CCc3ccccc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000593329157 459847047 /nfs/dbraw/zinc/84/70/47/459847047.db2.gz YGPUJDSIBJVMDA-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000593361519 459863717 /nfs/dbraw/zinc/86/37/17/459863717.db2.gz LOHGLIOEWTXEFX-CYBMUJFWSA-N 0 0 336.388 3.096 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000597179666 459864746 /nfs/dbraw/zinc/86/47/46/459864746.db2.gz IJTPJUHPQKBMSP-WCQYABFASA-N 0 0 347.396 3.472 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000598350488 459875280 /nfs/dbraw/zinc/87/52/80/459875280.db2.gz MKPMZJUVTGUGIE-IRXDYDNUSA-N 0 0 346.358 3.222 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000598354324 459877137 /nfs/dbraw/zinc/87/71/37/459877137.db2.gz RQYKHLLAFUVXDP-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211789 459878773 /nfs/dbraw/zinc/87/87/73/459878773.db2.gz OVZNYAPBSHZHLQ-RDTXWAMCSA-N 0 0 328.368 3.323 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(C)C)C2CC2)cc1OC ZINC000598381232 459884516 /nfs/dbraw/zinc/88/45/16/459884516.db2.gz LJTJUAATEICEEB-INIZCTEOSA-N 0 0 336.388 3.167 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000598397970 459888640 /nfs/dbraw/zinc/88/86/40/459888640.db2.gz XVAJQLSTJGBQNC-LBPRGKRZSA-N 0 0 336.363 3.395 10 5 EGBERN C[C@@H](SCc1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593437606 459889146 /nfs/dbraw/zinc/88/91/46/459889146.db2.gz JQUYWIIKJNOZAI-SNVBAGLBSA-N 0 0 345.384 3.373 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](C2CCC2)C1 ZINC000598401567 459890927 /nfs/dbraw/zinc/89/09/27/459890927.db2.gz VXZAAVXBHJDPBP-ZDUSSCGKSA-N 0 0 346.383 3.018 10 5 EGBERN CCN(Cc1ccccc1Cl)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587201768 459891387 /nfs/dbraw/zinc/89/13/87/459891387.db2.gz SMFGJRBUXBQYBT-UHFFFAOYSA-N 0 0 335.791 3.349 10 5 EGBERN CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Nc1ccccc1 ZINC000587100847 459891822 /nfs/dbraw/zinc/89/18/22/459891822.db2.gz BKVXXTDMZUMBHX-QGZVFWFLSA-N 0 0 344.415 3.218 10 5 EGBERN C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC[C@H]1C ZINC000593462693 459896662 /nfs/dbraw/zinc/89/66/62/459896662.db2.gz ZDPYOQISJYSYFK-CHWSQXEVSA-N 0 0 342.399 3.344 10 5 EGBERN Cc1ccccc1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587972304 459897014 /nfs/dbraw/zinc/89/70/14/459897014.db2.gz KCVYSCRRHIONOF-UHFFFAOYSA-N 0 0 341.411 3.362 10 5 EGBERN CCCN(CCc1cccc(F)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587977913 459897287 /nfs/dbraw/zinc/89/72/87/459897287.db2.gz XDKWNUYTCDCUQC-UHFFFAOYSA-N 0 0 347.390 3.268 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCOCC(F)(F)C(F)F ZINC000593470829 459899299 /nfs/dbraw/zinc/89/92/99/459899299.db2.gz SJVQWMKOFRWFQC-UHFFFAOYSA-N 0 0 347.268 3.472 10 5 EGBERN Cn1c(CSc2ccccc2[N+](=O)[O-])nnc1N1CC2CC1(C)C2 ZINC000597276359 459902214 /nfs/dbraw/zinc/90/22/14/459902214.db2.gz QBIOEGBXBLCLEG-UHFFFAOYSA-N 0 0 345.428 3.004 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000588014674 459902562 /nfs/dbraw/zinc/90/25/62/459902562.db2.gz CBFOFRRFLRTOEH-GTNSWQLSSA-N 0 0 333.388 3.101 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NC[C@]3(CO)CCc4ccccc43)c2c1 ZINC000593485295 459903573 /nfs/dbraw/zinc/90/35/73/459903573.db2.gz VXOPEZCZVCAGBM-FQEVSTJZSA-N 0 0 349.390 3.431 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCC3(CC1)C(F)(F)C3(F)F)CCN2 ZINC000593490630 459904879 /nfs/dbraw/zinc/90/48/79/459904879.db2.gz MWUXTJLCZHTMJT-UHFFFAOYSA-N 0 0 345.296 3.434 10 5 EGBERN CC1(C)CC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598503883 459923229 /nfs/dbraw/zinc/92/32/29/459923229.db2.gz ASIYLUHQRKCCJZ-UHFFFAOYSA-N 0 0 326.780 3.322 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC4CC3(C)C4)cc2[N+](=O)[O-])C1 ZINC000598567755 459941104 /nfs/dbraw/zinc/94/11/04/459941104.db2.gz GRYLQLVXBNREBB-VFPJAPOESA-N 0 0 343.427 3.456 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000598567844 459941336 /nfs/dbraw/zinc/94/13/36/459941336.db2.gz HFAKRBRRJQRJHF-BDJLRTHQSA-N 0 0 342.342 3.096 10 5 EGBERN CC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597408258 459943649 /nfs/dbraw/zinc/94/36/49/459943649.db2.gz JPDJWPHSEJYSAN-UHFFFAOYSA-N 0 0 341.415 3.500 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCCO2 ZINC000598573251 459944423 /nfs/dbraw/zinc/94/44/23/459944423.db2.gz BQIMUWRPTQFXML-JTQLQIEISA-N 0 0 332.381 3.472 10 5 EGBERN COC(=O)c1ccnc(N[C@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000598587532 459953284 /nfs/dbraw/zinc/95/32/84/459953284.db2.gz BNAKLPKWWGCCLW-AWEZNQCLSA-N 0 0 327.340 3.184 10 5 EGBERN CO[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC000597466397 459963098 /nfs/dbraw/zinc/96/30/98/459963098.db2.gz CPHYNOAINZBMCO-QGZVFWFLSA-N 0 0 332.400 3.291 10 5 EGBERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000593784363 459984892 /nfs/dbraw/zinc/98/48/92/459984892.db2.gz OLGGUYBHNUQZRM-INIZCTEOSA-N 0 0 348.790 3.209 10 5 EGBERN Cc1c(C(=O)N2CCC(F)(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000588834462 459988133 /nfs/dbraw/zinc/98/81/33/459988133.db2.gz AIQZIGWEGSUEOZ-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CC1=CC[C@@](C)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000597571764 459998043 /nfs/dbraw/zinc/99/80/43/459998043.db2.gz UPTYSSXIEZEDKQ-QGZVFWFLSA-N 0 0 328.372 3.224 10 5 EGBERN CCN(CCC(F)(F)F)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588903814 460001591 /nfs/dbraw/zinc/00/15/91/460001591.db2.gz NUVBPGGHQNACDY-UHFFFAOYSA-N 0 0 340.248 3.216 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593856475 460003976 /nfs/dbraw/zinc/00/39/76/460003976.db2.gz YBOOSNZXZUMDHW-LBPRGKRZSA-N 0 0 342.399 3.243 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609676234 460007685 /nfs/dbraw/zinc/00/76/85/460007685.db2.gz UAQDRVUZHDDQHE-MNOVXSKESA-N 0 0 332.447 3.151 10 5 EGBERN CSc1cccc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000597615505 460009095 /nfs/dbraw/zinc/00/90/95/460009095.db2.gz DAKKMUOWVSQSJV-JSGCOSHPSA-N 0 0 343.408 3.245 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC000597632795 460013016 /nfs/dbraw/zinc/01/30/16/460013016.db2.gz RVCCYJWKUDBVFI-UHFFFAOYSA-N 0 0 325.162 3.486 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)Cc2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000597630632 460013167 /nfs/dbraw/zinc/01/31/67/460013167.db2.gz FDWZOPONQVKEKG-UHFFFAOYSA-N 0 0 329.356 3.174 10 5 EGBERN CON1CCC(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000597633339 460013948 /nfs/dbraw/zinc/01/39/48/460013948.db2.gz WUPIDJGNXMAQJK-UHFFFAOYSA-N 0 0 349.431 3.494 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)c1 ZINC000609765552 460014612 /nfs/dbraw/zinc/01/46/12/460014612.db2.gz AVMFELNTYSMZLU-CYBMUJFWSA-N 0 0 328.372 3.079 10 5 EGBERN O=C(NCC[C@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593917557 460017019 /nfs/dbraw/zinc/01/70/19/460017019.db2.gz VZMVXVNIJYAUGC-OAHLLOKOSA-N 0 0 325.368 3.142 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593917575 460017061 /nfs/dbraw/zinc/01/70/61/460017061.db2.gz WGSSLSOIDUUMCT-HNNXBMFYSA-N 0 0 343.358 3.281 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000593916223 460017445 /nfs/dbraw/zinc/01/74/45/460017445.db2.gz NPWHAWURKCEFGO-HNNXBMFYSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000597659130 460020043 /nfs/dbraw/zinc/02/00/43/460020043.db2.gz LUMDQIWNLARIJE-NILFDRSVSA-N 0 0 327.384 3.171 10 5 EGBERN Cc1nn(CCC(=O)Nc2nccc(C)c2C2CC2)c(C)c1[N+](=O)[O-] ZINC000598763845 460025142 /nfs/dbraw/zinc/02/51/42/460025142.db2.gz LMDNVMKNGDMJBH-UHFFFAOYSA-N 0 0 343.387 3.018 10 5 EGBERN O=C1N[C@H](C2CCCCCC2)C(=O)N1CCc1cccc([N+](=O)[O-])c1 ZINC000593955664 460026234 /nfs/dbraw/zinc/02/62/34/460026234.db2.gz URZSXTVJNBMXDL-MRXNPFEDSA-N 0 0 345.399 3.028 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598779704 460031231 /nfs/dbraw/zinc/03/12/31/460031231.db2.gz CXRNSNUWRXEZOP-MRVPVSSYSA-N 0 0 349.131 3.132 10 5 EGBERN CC(C)(C)C(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000609891801 460035418 /nfs/dbraw/zinc/03/54/18/460035418.db2.gz SWWFFJQBJDFBOE-UHFFFAOYSA-N 0 0 340.811 3.092 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCc4ccccc4C3)no2)n1 ZINC000589132370 460036303 /nfs/dbraw/zinc/03/63/03/460036303.db2.gz NFWCYFZQLHMZEP-CYBMUJFWSA-N 0 0 339.355 3.134 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cnn(CC(F)(F)F)c3)n2)s1 ZINC000589147120 460038912 /nfs/dbraw/zinc/03/89/12/460038912.db2.gz VNLIPBOYVGPEBL-UHFFFAOYSA-N 0 0 345.262 3.132 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000598801725 460040919 /nfs/dbraw/zinc/04/09/19/460040919.db2.gz NRJUMYLNFNWJNP-HZPDHXFCSA-N 0 0 326.352 3.272 10 5 EGBERN Cc1c(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000598803200 460041547 /nfs/dbraw/zinc/04/15/47/460041547.db2.gz MJFRYECTHUOCOH-CABCVRRESA-N 0 0 326.352 3.272 10 5 EGBERN O=[N+]([O-])c1c(NCC2(O)Cc3ccccc3C2)ccc2ncccc21 ZINC000609965102 460042648 /nfs/dbraw/zinc/04/26/48/460042648.db2.gz USHWVXXSEUHWFN-UHFFFAOYSA-N 0 0 335.363 3.085 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609982314 460045839 /nfs/dbraw/zinc/04/58/39/460045839.db2.gz OQGNVDATKPEQFI-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN CC[C@@H](NCc1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000618541017 460050808 /nfs/dbraw/zinc/05/08/08/460050808.db2.gz CRPGGYHDVJHKTO-OAHLLOKOSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1ccc(NCCCNC(=O)N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000610102055 460063753 /nfs/dbraw/zinc/06/37/53/460063753.db2.gz AARZMINDHFRVGJ-INIZCTEOSA-N 0 0 346.431 3.289 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C2CCC2)cnn1C ZINC000598846064 460064317 /nfs/dbraw/zinc/06/43/17/460064317.db2.gz WCSGVQAQMYZSIR-UHFFFAOYSA-N 0 0 328.372 3.411 10 5 EGBERN CCCCCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)n[nH]1 ZINC000597806614 460067781 /nfs/dbraw/zinc/06/77/81/460067781.db2.gz GZFPLWYCBLWKLV-UHFFFAOYSA-N 0 0 331.376 3.345 10 5 EGBERN CCNc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598881360 460081912 /nfs/dbraw/zinc/08/19/12/460081912.db2.gz BJCPFVJYNFECDP-ZDUSSCGKSA-N 0 0 347.415 3.200 10 5 EGBERN CSc1cccc(C(=O)Nc2cncc(OC(C)C)n2)c1[N+](=O)[O-] ZINC000594066783 460083171 /nfs/dbraw/zinc/08/31/71/460083171.db2.gz FQNUAUNBULCTLS-UHFFFAOYSA-N 0 0 348.384 3.146 10 5 EGBERN CCn1nc(C)cc1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598884849 460084374 /nfs/dbraw/zinc/08/43/74/460084374.db2.gz ZGSUPQCJVYPSAX-UHFFFAOYSA-N 0 0 328.372 3.103 10 5 EGBERN CCn1nc(C)cc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000610233880 460090770 /nfs/dbraw/zinc/09/07/70/460090770.db2.gz BASLPIIVXHFETB-INIZCTEOSA-N 0 0 346.412 3.007 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CCC3)cc2[N+](=O)[O-])C1 ZINC000610236916 460092150 /nfs/dbraw/zinc/09/21/50/460092150.db2.gz JINZCBULZSLKLM-ZDUSSCGKSA-N 0 0 331.416 3.456 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(CC(F)F)CC2CCC2)c1 ZINC000589501248 460095120 /nfs/dbraw/zinc/09/51/20/460095120.db2.gz GZJZMVPOJCPFAO-UHFFFAOYSA-N 0 0 342.342 3.249 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccco2)C(C)C)c1 ZINC000589494313 460095283 /nfs/dbraw/zinc/09/52/83/460095283.db2.gz NTIOPNZJSVUOFW-UHFFFAOYSA-N 0 0 332.356 3.385 10 5 EGBERN Cc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(C)c1O ZINC000576234856 460097977 /nfs/dbraw/zinc/09/79/77/460097977.db2.gz WVQFYJZHDZYUTR-UHFFFAOYSA-N 0 0 341.411 3.239 10 5 EGBERN Cc1cc(N2CCc3nccc(Br)c3C2)ncc1[N+](=O)[O-] ZINC000598941513 460098095 /nfs/dbraw/zinc/09/80/95/460098095.db2.gz FPYRODYZNHODCB-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597917781 460109670 /nfs/dbraw/zinc/10/96/70/460109670.db2.gz AVOHLUZPTMTLJT-ZDUSSCGKSA-N 0 0 330.359 3.332 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cl)cc1Cl ZINC000589648979 460123816 /nfs/dbraw/zinc/12/38/16/460123816.db2.gz DWETZNFOTPZCGG-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000594142654 460124750 /nfs/dbraw/zinc/12/47/50/460124750.db2.gz YSLFPSSHOVDONM-NSHDSACASA-N 0 0 340.445 3.498 10 5 EGBERN CC(C)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000597962765 460126446 /nfs/dbraw/zinc/12/64/46/460126446.db2.gz FNMINOJQWLZOFT-UHFFFAOYSA-N 0 0 325.368 3.312 10 5 EGBERN CN(CCNc1ccc2cnccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000599042236 460137075 /nfs/dbraw/zinc/13/70/75/460137075.db2.gz GNWGJYQGKKUOKI-UHFFFAOYSA-N 0 0 328.294 3.049 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594175635 460137685 /nfs/dbraw/zinc/13/76/85/460137685.db2.gz MDLZQHBJFBZNNI-HUUCEWRRSA-N 0 0 340.807 3.255 10 5 EGBERN COC(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCC1 ZINC000599054821 460142052 /nfs/dbraw/zinc/14/20/52/460142052.db2.gz OVWMXFIHEYVODU-UHFFFAOYSA-N 0 0 329.356 3.288 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2cscn2)c1 ZINC000598014945 460144887 /nfs/dbraw/zinc/14/48/87/460144887.db2.gz PIERBFZLCPLUHH-NSHDSACASA-N 0 0 335.385 3.006 10 5 EGBERN COc1c(C)cccc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594211531 460154187 /nfs/dbraw/zinc/15/41/87/460154187.db2.gz FFKVXGXQROKWHE-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594211988 460154466 /nfs/dbraw/zinc/15/44/66/460154466.db2.gz KCRUPAKEPNEOPC-CJNGLKHVSA-N 0 0 347.415 3.447 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1cc(C(F)(F)F)on1)CCN2 ZINC000599083737 460154875 /nfs/dbraw/zinc/15/48/75/460154875.db2.gz MFWOYPXMAZXAFE-UHFFFAOYSA-N 0 0 328.250 3.182 10 5 EGBERN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594226940 460160559 /nfs/dbraw/zinc/16/05/59/460160559.db2.gz PPXBCBVXRFIHPM-AWEZNQCLSA-N 0 0 347.415 3.228 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)c1 ZINC000599103495 460161523 /nfs/dbraw/zinc/16/15/23/460161523.db2.gz WNXYZUHFWPYPFE-NSHDSACASA-N 0 0 329.385 3.001 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000599117787 460165260 /nfs/dbraw/zinc/16/52/60/460165260.db2.gz RCTYUSCJMMRFES-GFCCVEGCSA-N 0 0 330.266 3.015 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599119374 460166112 /nfs/dbraw/zinc/16/61/12/460166112.db2.gz QMGZSGHGHZQODO-BMFZPTHFSA-N 0 0 331.416 3.215 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594244255 460169152 /nfs/dbraw/zinc/16/91/52/460169152.db2.gz DNUUXKSIEWBHPZ-OAHLLOKOSA-N 0 0 347.415 3.194 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599133833 460170365 /nfs/dbraw/zinc/17/03/65/460170365.db2.gz AARKAOAEWCQJOS-ZJUUUORDSA-N 0 0 344.234 3.227 10 5 EGBERN COc1c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598099800 460172470 /nfs/dbraw/zinc/17/24/70/460172470.db2.gz FSZHXFZKBDUVIR-XHDPSFHLSA-N 0 0 326.352 3.062 10 5 EGBERN CCC(F)(F)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000599150428 460177729 /nfs/dbraw/zinc/17/77/29/460177729.db2.gz WZFVXPPEPDSPSF-UHFFFAOYSA-N 0 0 327.331 3.288 10 5 EGBERN NC(=O)c1cc(Nc2cccc(C3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000599159484 460182012 /nfs/dbraw/zinc/18/20/12/460182012.db2.gz CAQDARRUZREIIX-UHFFFAOYSA-N 0 0 341.367 3.331 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599164313 460183332 /nfs/dbraw/zinc/18/33/32/460183332.db2.gz LLVYEUHYCIKWPQ-KSCJFIISSA-N 0 0 342.779 3.259 10 5 EGBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599166908 460184098 /nfs/dbraw/zinc/18/40/98/460184098.db2.gz WBMLAGZOGLIUGZ-QMTHXVAHSA-N 0 0 342.779 3.018 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599180101 460190135 /nfs/dbraw/zinc/19/01/35/460190135.db2.gz JOURTIUZKPALSS-GWCFXTLKSA-N 0 0 327.178 3.337 10 5 EGBERN NC(=O)c1ccc(NCC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599185460 460192417 /nfs/dbraw/zinc/19/24/17/460192417.db2.gz WXNMBCNVIZVUPC-UHFFFAOYSA-N 0 0 331.294 3.228 10 5 EGBERN COc1ccc([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000599192118 460195170 /nfs/dbraw/zinc/19/51/70/460195170.db2.gz CFSQAOOCVAVMFE-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000599199547 460197145 /nfs/dbraw/zinc/19/71/45/460197145.db2.gz IGDORSBVFNOMBS-ZFDPJTLLSA-N 0 0 333.388 3.267 10 5 EGBERN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000598196606 460200843 /nfs/dbraw/zinc/20/08/43/460200843.db2.gz HTDCCLCXCPUVOS-HNNXBMFYSA-N 0 0 345.330 3.115 10 5 EGBERN Cc1cc(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)ccc1[N+](=O)[O-] ZINC000598205983 460203374 /nfs/dbraw/zinc/20/33/74/460203374.db2.gz CVIPVYDHOWEPOM-IRXDYDNUSA-N 0 0 340.379 3.206 10 5 EGBERN CNc1ccc(C(=O)N2CC(Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC000610659982 460206970 /nfs/dbraw/zinc/20/69/70/460206970.db2.gz HIJLSJKFSZBEHI-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000598215028 460207371 /nfs/dbraw/zinc/20/73/71/460207371.db2.gz GMCKDXRPROQYNB-TVQRCGJNSA-N 0 0 330.356 3.237 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000598215720 460207482 /nfs/dbraw/zinc/20/74/82/460207482.db2.gz XZHMAXRYQNHZMX-YPMHNXCESA-N 0 0 338.379 3.085 10 5 EGBERN CNc1ccc(C(=O)N2CC(Cc3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000610660557 460207615 /nfs/dbraw/zinc/20/76/15/460207615.db2.gz UYEULQMLVXUDIV-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN C[C@H](C(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000576775178 460210807 /nfs/dbraw/zinc/21/08/07/460210807.db2.gz SREWGURWGZIEFF-SCLBCKFNSA-N 0 0 334.416 3.146 10 5 EGBERN C[C@H](C(=O)Nc1ccc2c(c1)CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000598224637 460212456 /nfs/dbraw/zinc/21/24/56/460212456.db2.gz ALCPOSDVRXYUGK-LBPRGKRZSA-N 0 0 326.352 3.410 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCOC2 ZINC000598225535 460213036 /nfs/dbraw/zinc/21/30/36/460213036.db2.gz DUTHVUOLBIEYKV-UHFFFAOYSA-N 0 0 342.351 3.075 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598226997 460213936 /nfs/dbraw/zinc/21/39/36/460213936.db2.gz AMAZXLJQQMBOJT-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598230006 460215778 /nfs/dbraw/zinc/21/57/78/460215778.db2.gz NBIUKAGYVBYWFH-GFCCVEGCSA-N 0 0 336.344 3.009 10 5 EGBERN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000618927202 460223217 /nfs/dbraw/zinc/22/32/17/460223217.db2.gz PYDDCANPRUFYPT-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC(CC(F)(F)F)C1 ZINC000610744762 460230030 /nfs/dbraw/zinc/23/00/30/460230030.db2.gz HSKNAEVNFMPRCR-UHFFFAOYSA-N 0 0 336.697 3.202 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](c3ccco3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769967 460234513 /nfs/dbraw/zinc/23/45/13/460234513.db2.gz ITFROQYIMSJHTO-GFCCVEGCSA-N 0 0 330.340 3.277 10 5 EGBERN CCCCN(c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599392340 460245823 /nfs/dbraw/zinc/24/58/23/460245823.db2.gz RGZAVTAMFIMBPN-UHFFFAOYSA-N 0 0 341.414 3.047 10 5 EGBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000599493731 460261427 /nfs/dbraw/zinc/26/14/27/460261427.db2.gz BCOXKEIBTLRAFR-OAHLLOKOSA-N 0 0 326.418 3.353 10 5 EGBERN C/C=C\C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599520737 460266823 /nfs/dbraw/zinc/26/68/23/460266823.db2.gz BARWDKARZDCPOH-SFAKSCPVSA-N 0 0 338.429 3.103 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(F)F)C1 ZINC000611179452 460302171 /nfs/dbraw/zinc/30/21/71/460302171.db2.gz CORXUFZLPKQOBT-MWLCHTKSSA-N 0 0 338.314 3.293 10 5 EGBERN COc1cc(CN2CCOc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000599688505 460310867 /nfs/dbraw/zinc/31/08/67/460310867.db2.gz ZLDRJLRWOJDKMY-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN C/C=C/C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690680 460312681 /nfs/dbraw/zinc/31/26/81/460312681.db2.gz PBRALZUXAWCZGA-RDFMZFSFSA-N 0 0 347.415 3.220 10 5 EGBERN CC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC(F)(F)CC1 ZINC000599719198 460320484 /nfs/dbraw/zinc/32/04/84/460320484.db2.gz RDXDAVKNVQOVEW-UHFFFAOYSA-N 0 0 338.314 3.047 10 5 EGBERN C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1F ZINC000599738810 460324081 /nfs/dbraw/zinc/32/40/81/460324081.db2.gz CLFWDDIZXIKQQN-WCBMZHEXSA-N 0 0 345.168 3.177 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599786119 460333728 /nfs/dbraw/zinc/33/37/28/460333728.db2.gz FWDOEWRMLLGELT-UHFFFAOYSA-N 0 0 344.371 3.315 10 5 EGBERN Cc1ccc(NCCCNC(=O)NC(C)(C)C(F)F)c([N+](=O)[O-])c1 ZINC000619363753 460336165 /nfs/dbraw/zinc/33/61/65/460336165.db2.gz PKVUONPWHMKHKQ-UHFFFAOYSA-N 0 0 344.362 3.048 10 5 EGBERN CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829770 460342884 /nfs/dbraw/zinc/34/28/84/460342884.db2.gz LJGGYRQMVWBKFA-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN CCN(C[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830330 460343041 /nfs/dbraw/zinc/34/30/41/460343041.db2.gz QSVXPLIIEFLGEK-GFCCVEGCSA-N 0 0 344.371 3.033 10 5 EGBERN CN(C[C@H]1CCCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829042 460343171 /nfs/dbraw/zinc/34/31/71/460343171.db2.gz BVRXDOFOCBDZGX-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN O=C(NCC[C@H]1CCCCO1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832848 460343744 /nfs/dbraw/zinc/34/37/44/460343744.db2.gz LIKIEWSBLBNXHI-GFCCVEGCSA-N 0 0 344.371 3.224 10 5 EGBERN CC[C@]1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599833643 460344634 /nfs/dbraw/zinc/34/46/34/460344634.db2.gz WDQHYDUMQDQCDD-QGZVFWFLSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599834094 460344783 /nfs/dbraw/zinc/34/47/83/460344783.db2.gz FOXZZFZPLNHUFP-VXGBXAGGSA-N 0 0 344.371 3.222 10 5 EGBERN COC1(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599837969 460345403 /nfs/dbraw/zinc/34/54/03/460345403.db2.gz HGPTVYJVHRXYDH-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN C[C@H]1CSC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836532 460345619 /nfs/dbraw/zinc/34/56/19/460345619.db2.gz SVVKBEBKLPZENJ-TVQRCGJNSA-N 0 0 332.385 3.016 10 5 EGBERN O=C(NCCC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839822 460346249 /nfs/dbraw/zinc/34/62/49/460346249.db2.gz PZIVIVZPAKDXKX-GFCCVEGCSA-N 0 0 344.371 3.081 10 5 EGBERN CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599841243 460347165 /nfs/dbraw/zinc/34/71/65/460347165.db2.gz WKIXHCHGKNFSMP-MEDUHNTESA-N 0 0 344.371 3.032 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619425334 460352563 /nfs/dbraw/zinc/35/25/63/460352563.db2.gz QGAOIQMXDIIFDP-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN O=C(CC(F)(F)F)N1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611412279 460359275 /nfs/dbraw/zinc/35/92/75/460359275.db2.gz MWUICAKLFDLPFX-UHFFFAOYSA-N 0 0 337.323 3.012 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCC12CC2 ZINC000599946173 460362734 /nfs/dbraw/zinc/36/27/34/460362734.db2.gz XGTLRYZUDJYBBC-OAHLLOKOSA-N 0 0 327.384 3.315 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3c(C)csc32)cc1[N+](=O)[O-] ZINC000619490365 460369180 /nfs/dbraw/zinc/36/91/80/460369180.db2.gz VAJHXEHPQMVOSN-UHFFFAOYSA-N 0 0 345.336 3.487 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC(C)(C)C(F)F)c([N+](=O)[O-])c1 ZINC000619501421 460370707 /nfs/dbraw/zinc/37/07/07/460370707.db2.gz BQIIKDSGGHHMPK-UHFFFAOYSA-N 0 0 338.314 3.015 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619500762 460370732 /nfs/dbraw/zinc/37/07/32/460370732.db2.gz QIWFYOFNPCQIBU-GZMMTYOYSA-N 0 0 326.278 3.315 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611502040 460379316 /nfs/dbraw/zinc/37/93/16/460379316.db2.gz MGHMBIHFQJCARV-BREBYQMCSA-N 0 0 343.786 3.255 10 5 EGBERN COc1cc(COc2cccc(-c3nnco3)c2)ccc1[N+](=O)[O-] ZINC000611509275 460381536 /nfs/dbraw/zinc/38/15/36/460381536.db2.gz BSZICBFPXXEGCJ-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000611585490 460409716 /nfs/dbraw/zinc/40/97/16/460409716.db2.gz GMUYUNUMBSBBDU-SECBINFHSA-N 0 0 334.706 3.092 10 5 EGBERN CCc1nccn1[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616263 460415210 /nfs/dbraw/zinc/41/52/10/460415210.db2.gz DKTDGFRFILMUBC-AWEZNQCLSA-N 0 0 329.404 3.207 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1CC(C)C ZINC000600163972 460415246 /nfs/dbraw/zinc/41/52/46/460415246.db2.gz DZJRBMALQLLNQQ-UHFFFAOYSA-N 0 0 344.415 3.005 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000604387389 460418416 /nfs/dbraw/zinc/41/84/16/460418416.db2.gz IKNGUWZAEHMQAY-LSDHHAIUSA-N 0 0 342.399 3.093 10 5 EGBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600171497 460418945 /nfs/dbraw/zinc/41/89/45/460418945.db2.gz WHACIDXVRVCEIH-FRRDWIJNSA-N 0 0 325.368 3.309 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619733959 460425288 /nfs/dbraw/zinc/42/52/88/460425288.db2.gz LDYDLQZKQCCXHZ-CYBMUJFWSA-N 0 0 347.415 3.032 10 5 EGBERN CCC(C)(C)OC1CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600187478 460427220 /nfs/dbraw/zinc/42/72/20/460427220.db2.gz GNYXJKKMIFLYFF-UHFFFAOYSA-N 0 0 338.404 3.001 10 5 EGBERN CC1CCN(c2ccc(C(=O)Nc3cnoc3)cc2[N+](=O)[O-])CC1 ZINC000604542394 460443772 /nfs/dbraw/zinc/44/37/72/460443772.db2.gz RSTWYWPSEBPEOA-UHFFFAOYSA-N 0 0 330.344 3.071 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000600268526 460461184 /nfs/dbraw/zinc/46/11/84/460461184.db2.gz FRQNMSPTJGGSGB-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CCCO2 ZINC000600314035 460471096 /nfs/dbraw/zinc/47/10/96/460471096.db2.gz JSJHUIJNMZIDRE-UHFFFAOYSA-N 0 0 336.413 3.102 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC(Cc2ccco2)C1 ZINC000600367567 460484772 /nfs/dbraw/zinc/48/47/72/460484772.db2.gz RRVVYWGCURNMGL-UHFFFAOYSA-N 0 0 341.367 3.077 10 5 EGBERN O=C(NCC[C@@H]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600395475 460489132 /nfs/dbraw/zinc/48/91/32/460489132.db2.gz VVDLEAYTHIPVHL-CQSZACIVSA-N 0 0 340.383 3.257 10 5 EGBERN CCOc1cc(C(=O)NCC[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000600395284 460489218 /nfs/dbraw/zinc/48/92/18/460489218.db2.gz QUXYKPFOGVMNKL-CYBMUJFWSA-N 0 0 348.399 3.478 10 5 EGBERN Cn1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)ccc1[N+](=O)[O-] ZINC000600432884 460494248 /nfs/dbraw/zinc/49/42/48/460494248.db2.gz ZACBAPOOXHXBJM-AWEZNQCLSA-N 0 0 345.374 3.481 10 5 EGBERN Cc1cc(=O)n(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000600528197 460513111 /nfs/dbraw/zinc/51/31/11/460513111.db2.gz GSUJNYNFZJHFEY-MNOVXSKESA-N 0 0 346.305 3.003 10 5 EGBERN CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612064695 460525103 /nfs/dbraw/zinc/52/51/03/460525103.db2.gz PRJDMMKTYQUJFK-UHFFFAOYSA-N 0 0 342.342 3.448 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601157908 460736191 /nfs/dbraw/zinc/73/61/91/460736191.db2.gz IQRFNJMUGJRFHL-NTSWFWBYSA-N 0 0 346.231 3.124 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCc2ccc(O)cc21 ZINC000601195984 460747857 /nfs/dbraw/zinc/74/78/57/460747857.db2.gz XAQWHQYOSOFYGB-JTQLQIEISA-N 0 0 342.277 3.152 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1Br)n1ccnc1 ZINC000601198314 460748674 /nfs/dbraw/zinc/74/86/74/460748674.db2.gz VAOANECZRPKNPK-UHFFFAOYSA-N 0 0 339.193 3.401 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1S[C@@H]1COC(C)(C)C1 ZINC000601201527 460748880 /nfs/dbraw/zinc/74/88/80/460748880.db2.gz PDLCPAYEYZPNFQ-LURJTMIESA-N 0 0 325.312 3.007 10 5 EGBERN COc1ccc(CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)CCCO)cc1 ZINC000601227705 460757285 /nfs/dbraw/zinc/75/72/85/460757285.db2.gz RBXIZFQHBCXNAT-CQSZACIVSA-N 0 0 345.399 3.166 10 5 EGBERN CC1(C)CC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000620740784 460758904 /nfs/dbraw/zinc/75/89/04/460758904.db2.gz GFPGLVQMYKQRLM-UHFFFAOYSA-N 0 0 334.419 3.460 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601249353 460764472 /nfs/dbraw/zinc/76/44/72/460764472.db2.gz BRKUVGJTNDPQPI-WCQYABFASA-N 0 0 334.401 3.359 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](C3CCC3)[C@H]3CCCO3)cc2N1 ZINC000601250435 460765247 /nfs/dbraw/zinc/76/52/47/460765247.db2.gz KAWMCUFBCQBGJN-AEFFLSMTSA-N 0 0 345.399 3.239 10 5 EGBERN C[C@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC[C@H]1O ZINC000601277691 460773499 /nfs/dbraw/zinc/77/34/99/460773499.db2.gz YJYQTHDMZIAFLB-SJLPKXTDSA-N 0 0 346.427 3.074 10 5 EGBERN Cc1cc(-c2noc(Cc3cnn4c3CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000601380062 460799720 /nfs/dbraw/zinc/79/97/20/460799720.db2.gz JAEKMJXSYPDJHD-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN O=C(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cccs1 ZINC000601387245 460802514 /nfs/dbraw/zinc/80/25/14/460802514.db2.gz RCPKMQCWVFEGTA-UHFFFAOYSA-N 0 0 344.392 3.077 10 5 EGBERN C[C@H](CC(F)(F)F)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601451234 460814663 /nfs/dbraw/zinc/81/46/63/460814663.db2.gz WFPUUHCJLWUIMY-SNVBAGLBSA-N 0 0 330.306 3.474 10 5 EGBERN COC(=O)c1ccc(OCCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000613109459 460831041 /nfs/dbraw/zinc/83/10/41/460831041.db2.gz KBORLUNWXADYOW-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nccn2c1 ZINC000613182011 460855283 /nfs/dbraw/zinc/85/52/83/460855283.db2.gz CSQMLZJVOAFHOH-CQSZACIVSA-N 0 0 338.367 3.450 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601659285 460860000 /nfs/dbraw/zinc/86/00/00/460860000.db2.gz NTJPVUQUJNULAX-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(N[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000601702013 460876277 /nfs/dbraw/zinc/87/62/77/460876277.db2.gz ARQFFLBNNNRBCP-LBPRGKRZSA-N 0 0 339.189 3.420 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000601768525 460893421 /nfs/dbraw/zinc/89/34/21/460893421.db2.gz PDZKHDKQBMIGLL-UHFFFAOYSA-N 0 0 332.400 3.217 10 5 EGBERN CC1=C(C)C[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601776312 460894893 /nfs/dbraw/zinc/89/48/93/460894893.db2.gz IOSYYLBGRZXLHY-RDTXWAMCSA-N 0 0 332.400 3.055 10 5 EGBERN COCC[C@H]1CCCCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000613433778 460945513 /nfs/dbraw/zinc/94/55/13/460945513.db2.gz MTHPEXDRNVHJSV-GFCCVEGCSA-N 0 0 326.368 3.386 10 5 EGBERN COc1cc(CN2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1F ZINC000184208265 533808515 /nfs/dbraw/zinc/80/85/15/533808515.db2.gz DWKAUDGOQULWAE-AWEZNQCLSA-N 0 0 348.378 3.085 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000129298601 534887877 /nfs/dbraw/zinc/88/78/77/534887877.db2.gz NDBTZDHKNLUOLF-INIZCTEOSA-N 0 0 346.408 3.092 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153703552 527944593 /nfs/dbraw/zinc/94/45/93/527944593.db2.gz OLGDKNKTOBHLFW-CYBMUJFWSA-N 0 0 339.823 3.129 10 5 EGBERN CCOC(=O)c1csc(CCNc2cccc(C)c2[N+](=O)[O-])n1 ZINC000190208619 528338707 /nfs/dbraw/zinc/33/87/07/528338707.db2.gz YKKQJROKMCPFTN-UHFFFAOYSA-N 0 0 335.385 3.191 10 5 EGBERN CC1(C)C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])c2ccccc2O1 ZINC000183611083 529138425 /nfs/dbraw/zinc/13/84/25/529138425.db2.gz WTHCGPJSYVSRBN-CYBMUJFWSA-N 0 0 342.355 3.414 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351873483 534932698 /nfs/dbraw/zinc/93/26/98/534932698.db2.gz YUSWDGUNTZFHKB-SNVBAGLBSA-N 0 0 342.342 3.037 10 5 EGBERN Cc1sc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000127321890 546767777 /nfs/dbraw/zinc/76/77/77/546767777.db2.gz SGEAVYOWRDDSDA-UHFFFAOYSA-N 0 0 342.417 3.157 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179130552 547043635 /nfs/dbraw/zinc/04/36/35/547043635.db2.gz PIRHSNAIRXEVRN-UHFFFAOYSA-N 0 0 326.356 3.011 10 5 EGBERN CCc1cccc(OCCOC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000730015767 574903474 /nfs/dbraw/zinc/90/34/74/574903474.db2.gz ZZPRNSZPIPAZMN-UHFFFAOYSA-N 0 0 330.340 3.096 10 5 EGBERN CCCCc1noc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000731515775 575078759 /nfs/dbraw/zinc/07/87/59/575078759.db2.gz HOKUMZFLCFBKLK-SECBINFHSA-N 0 0 337.307 3.378 10 5 EGBERN C[C@H](OC(=O)/C=C/C(C)(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000732405431 575267645 /nfs/dbraw/zinc/26/76/45/575267645.db2.gz HSCBDKJCERKVHJ-JARNTUPDSA-N 0 0 338.335 3.206 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000734405982 575481009 /nfs/dbraw/zinc/48/10/09/575481009.db2.gz SFDGYAHNONEYPR-STQMWFEESA-N 0 0 338.379 3.445 10 5 EGBERN CC(C)(C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000734591431 575522960 /nfs/dbraw/zinc/52/29/60/575522960.db2.gz WQWTUOPKNMBGTH-UHFFFAOYSA-N 0 0 348.380 3.116 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2C[C@H]2c2c(F)cccc2F)nc2ccccn21 ZINC000734831875 575562367 /nfs/dbraw/zinc/56/23/67/575562367.db2.gz DRPZXDZNBWVYKL-SKDRFNHKSA-N 0 0 330.294 3.489 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000735800921 575717301 /nfs/dbraw/zinc/71/73/01/575717301.db2.gz ROZPRFSZCALQDY-NSHDSACASA-N 0 0 337.763 3.366 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCc2csc([N+](=O)[O-])c2)c1N ZINC000741039294 576650835 /nfs/dbraw/zinc/65/08/35/576650835.db2.gz DJVJHVIZEKUTTH-UHFFFAOYSA-N 0 0 340.332 3.133 10 5 EGBERN CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)s2)c(F)c1 ZINC000742837184 576796313 /nfs/dbraw/zinc/79/63/13/576796313.db2.gz ZAVQZRBNKCOKBC-UHFFFAOYSA-N 0 0 338.316 3.281 10 5 EGBERN Cc1ccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000742881992 576797174 /nfs/dbraw/zinc/79/71/74/576797174.db2.gz DRZUOYLZDJYCSH-UHFFFAOYSA-N 0 0 336.731 3.187 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000743545365 576811574 /nfs/dbraw/zinc/81/15/74/576811574.db2.gz RNONPVDBVLVVPP-LBPRGKRZSA-N 0 0 330.388 3.101 10 5 EGBERN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000743544653 576811597 /nfs/dbraw/zinc/81/15/97/576811597.db2.gz FINYBRPMDMZVBC-UHFFFAOYSA-N 0 0 346.387 3.045 10 5 EGBERN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000102418319 1292976360 /nfs/dbraw/zinc/97/63/60/1292976360.db2.gz FXIHIKCAFYIEOD-HNNXBMFYSA-N 0 0 347.758 3.453 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(F)c(Cl)c2)c1 ZINC000133986983 1293758752 /nfs/dbraw/zinc/75/87/52/1293758752.db2.gz GXNLXJMFJJEEEO-UHFFFAOYSA-N 0 0 345.735 3.296 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cc2ccccc2)c1 ZINC000172237422 1294431476 /nfs/dbraw/zinc/43/14/76/1294431476.db2.gz PSHKNKGAZZICIX-UHFFFAOYSA-N 0 0 325.773 3.363 10 5 EGBERN Cc1csc2nc(CC(=O)O[C@H](C)c3ccccc3[N+](=O)[O-])cn12 ZINC000869980391 1295572989 /nfs/dbraw/zinc/57/29/89/1295572989.db2.gz CCLJCIDJOAVYDO-LLVKDONJSA-N 0 0 345.380 3.459 10 5 EGBERN C[C@@H](c1ccccc1F)[C@@H](O)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000870073750 1295627024 /nfs/dbraw/zinc/62/70/24/1295627024.db2.gz HYJCWGYCNWDIPG-LKFCYVNXSA-N 0 0 339.344 3.003 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000870503003 1295909718 /nfs/dbraw/zinc/90/97/18/1295909718.db2.gz BGMZRRDGNYXEBR-BBRMVZONSA-N 0 0 346.408 3.303 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1cn2c(n1)CCCC2 ZINC000870700232 1296028319 /nfs/dbraw/zinc/02/83/19/1296028319.db2.gz DXAABEFNWGFKEZ-UHFFFAOYSA-N 0 0 343.383 3.030 10 5 EGBERN Cc1nn(C)c(Cl)c1C(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC000870699564 1296028703 /nfs/dbraw/zinc/02/87/03/1296028703.db2.gz HQGRCUCBSMQEDO-UHFFFAOYSA-N 0 0 337.763 3.264 10 5 EGBERN O=C(OCc1ccnn1C(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000870743052 1296057948 /nfs/dbraw/zinc/05/79/48/1296057948.db2.gz UPLIYVRNKCNOBH-QWHCGFSZSA-N 0 0 337.282 3.033 10 5 EGBERN COc1ncccc1CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000870780015 1296073081 /nfs/dbraw/zinc/07/30/81/1296073081.db2.gz VRBUEGXUEJLIAY-NSHDSACASA-N 0 0 348.330 3.027 10 5 EGBERN C[C@@H](C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000870822840 1296101474 /nfs/dbraw/zinc/10/14/74/1296101474.db2.gz GWTJPGUKLLVKTB-OASPWFOLSA-N 0 0 347.289 3.351 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000870828354 1296106502 /nfs/dbraw/zinc/10/65/02/1296106502.db2.gz PBUYOOGXQBTSGP-SKMKEBHYSA-N 0 0 347.293 3.017 10 5 EGBERN CC(C)c1ccccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831499 1296107871 /nfs/dbraw/zinc/10/78/71/1296107871.db2.gz VAIRZRKPMNTVNC-UHFFFAOYSA-N 0 0 329.356 3.475 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC000233704563 1296178796 /nfs/dbraw/zinc/17/87/96/1296178796.db2.gz DDHDABMJLJDLFG-LLVKDONJSA-N 0 0 332.150 3.078 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871123157 1296235248 /nfs/dbraw/zinc/23/52/48/1296235248.db2.gz NIARLWVQMRUSOX-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(NOCCCC(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871210040 1296274602 /nfs/dbraw/zinc/27/46/02/1296274602.db2.gz QUOQBUZYAPUBIR-UHFFFAOYSA-N 0 0 326.658 3.252 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000871335791 1296358562 /nfs/dbraw/zinc/35/85/62/1296358562.db2.gz GFFPVXDMLPNPPM-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871374334 1296379863 /nfs/dbraw/zinc/37/98/63/1296379863.db2.gz LGPGRYWKIWUBHA-SFHVURJKSA-N 0 0 343.358 3.399 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCc1nccn1CC(F)F ZINC000871835911 1296556265 /nfs/dbraw/zinc/55/62/65/1296556265.db2.gz XZJIMLUTTJVYFA-UHFFFAOYSA-N 0 0 326.303 3.067 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3sccc3C(F)F)n2)n1C ZINC000871844026 1296562306 /nfs/dbraw/zinc/56/23/06/1296562306.db2.gz UFFYVYARFHUHJI-UHFFFAOYSA-N 0 0 341.299 3.353 10 5 EGBERN C[C@@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000872022050 1296666038 /nfs/dbraw/zinc/66/60/38/1296666038.db2.gz WBODUYLNHRLZAY-VXGBXAGGSA-N 0 0 347.394 3.464 10 5 EGBERN CCn1ncc(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1C ZINC000872139788 1296765261 /nfs/dbraw/zinc/76/52/61/1296765261.db2.gz QAJIIPDRGHHYIA-INIZCTEOSA-N 0 0 340.387 3.055 10 5 EGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCCC1 ZINC000312202108 1297115572 /nfs/dbraw/zinc/11/55/72/1297115572.db2.gz HDPWBJVBBNDETL-UHFFFAOYSA-N 0 0 342.193 3.062 10 5 EGBERN CC(C)OC1(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000873025583 1297231943 /nfs/dbraw/zinc/23/19/43/1297231943.db2.gz CHJIUKGNJBRBPJ-ZDUSSCGKSA-N 0 0 335.404 3.303 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000873321124 1297433428 /nfs/dbraw/zinc/43/34/28/1297433428.db2.gz HKVBQYPVLDHKKW-GMXVVIOVSA-N 0 0 325.386 3.044 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000876366518 1298723202 /nfs/dbraw/zinc/72/32/02/1298723202.db2.gz VIQJTYLSWAHQEM-STQMWFEESA-N 0 0 338.791 3.041 10 5 EGBERN CC(=O)c1c(N(C)Cc2csc(C(C)(C)O)n2)cccc1[N+](=O)[O-] ZINC000882430459 1301961018 /nfs/dbraw/zinc/96/10/18/1301961018.db2.gz HDKQYDDARYDXJM-UHFFFAOYSA-N 0 0 349.412 3.118 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000882638815 1302042546 /nfs/dbraw/zinc/04/25/46/1302042546.db2.gz HBIDFLHMYKJJBW-GXSJLCMTSA-N 0 0 346.305 3.344 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000882669858 1302053237 /nfs/dbraw/zinc/05/32/37/1302053237.db2.gz HQRTWQLVJSUBHW-AWEZNQCLSA-N 0 0 326.352 3.497 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000882786914 1302104076 /nfs/dbraw/zinc/10/40/76/1302104076.db2.gz ATMGGSCEUONMSY-HNNXBMFYSA-N 0 0 348.399 3.185 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1F ZINC000884655650 1302939597 /nfs/dbraw/zinc/93/95/97/1302939597.db2.gz FZFPCCKOKCSDDK-HZMBPMFUSA-N 0 0 348.296 3.395 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c([N+](=O)[O-])c1 ZINC000884700486 1302957458 /nfs/dbraw/zinc/95/74/58/1302957458.db2.gz RGWXBOVRPULZPO-MCTKYDIJSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(N[C@H]1CCOC12CCCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000888312150 1304118015 /nfs/dbraw/zinc/11/80/15/1304118015.db2.gz VIXUPJLCQHVKSW-BBWFWOEESA-N 0 0 344.411 3.306 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888819109 1304288536 /nfs/dbraw/zinc/28/85/36/1304288536.db2.gz DZFCKWRWXLMCII-KXBFYZLASA-N 0 0 337.379 3.070 10 5 EGBERN O=C(CC(F)(F)C(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000889469929 1304491484 /nfs/dbraw/zinc/49/14/84/1304491484.db2.gz JMBBTEGUVTYHCQ-UHFFFAOYSA-N 0 0 328.649 3.155 10 5 EGBERN CC(=O)c1cncc(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)c1 ZINC000892849524 1305577537 /nfs/dbraw/zinc/57/75/37/1305577537.db2.gz LGGRWAIOYFHYFF-UHFFFAOYSA-N 0 0 339.351 3.176 10 5 EGBERN CSc1nccnc1C(=O)OCc1c(C)ccc([N+](=O)[O-])c1C ZINC000893156144 1305735990 /nfs/dbraw/zinc/73/59/90/1305735990.db2.gz CUDFZXIOPOJHBF-UHFFFAOYSA-N 0 0 333.369 3.081 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)c1C ZINC000893162400 1305738912 /nfs/dbraw/zinc/73/89/12/1305738912.db2.gz KTQBEODVILCOIN-PBHICJAKSA-N 0 0 332.400 3.147 10 5 EGBERN O=C(OCCc1ccns1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000893378147 1305857427 /nfs/dbraw/zinc/85/74/27/1305857427.db2.gz BZLOSAYZHUBYIM-UHFFFAOYSA-N 0 0 347.396 3.051 10 5 EGBERN COc1ccc(C(=O)O[C@H]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000893484438 1305918735 /nfs/dbraw/zinc/91/87/35/1305918735.db2.gz WLXODRHNGOECOQ-HIFRSBDPSA-N 0 0 337.372 3.211 10 5 EGBERN COc1cc(C(=O)OC[C@@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000893512640 1305941708 /nfs/dbraw/zinc/94/17/08/1305941708.db2.gz LUWTVSHOENOFOE-QMTHXVAHSA-N 0 0 341.335 3.105 10 5 EGBERN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnc1C ZINC000893820766 1306085686 /nfs/dbraw/zinc/08/56/86/1306085686.db2.gz JLFNOGHWGSOQKM-UHFFFAOYSA-N 0 0 340.383 3.459 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@]23CCCO3)c1 ZINC000893922748 1306131596 /nfs/dbraw/zinc/13/15/96/1306131596.db2.gz GKNZHUKBIOWXEH-ZBFHGGJFSA-N 0 0 336.413 3.148 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccns1 ZINC000894064936 1306199478 /nfs/dbraw/zinc/19/94/78/1306199478.db2.gz OLORICUMSPPNJG-CYBMUJFWSA-N 0 0 333.413 3.279 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894267723 1306311348 /nfs/dbraw/zinc/31/13/48/1306311348.db2.gz BHDYSHXJYBFCCP-CYBMUJFWSA-N 0 0 343.383 3.345 10 5 EGBERN CC(C)Cc1coc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000894441816 1308888924 /nfs/dbraw/zinc/88/89/24/1308888924.db2.gz RKUXRBYLTNPXSH-UHFFFAOYSA-N 0 0 325.271 3.312 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894699421 1309027701 /nfs/dbraw/zinc/02/77/01/1309027701.db2.gz FBUPOMFASHMCBB-NHYWBVRUSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(NC1(C2CC2)CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000895366451 1309302204 /nfs/dbraw/zinc/30/22/04/1309302204.db2.gz UPGILCIOHWQXOH-UHFFFAOYSA-N 0 0 343.427 3.260 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895842876 1309550849 /nfs/dbraw/zinc/55/08/49/1309550849.db2.gz GGTHPKDNSCMSPU-RISCZKNCSA-N 0 0 342.342 3.197 10 5 EGBERN CC(=O)c1c(NCc2cc(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC000896065424 1309682342 /nfs/dbraw/zinc/68/23/42/1309682342.db2.gz TVJJHFHHBYWDCE-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CC(C)(Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)CC(F)F ZINC000896142326 1309717844 /nfs/dbraw/zinc/71/78/44/1309717844.db2.gz FCVFBSKGAZCSCS-UHFFFAOYSA-N 0 0 326.303 3.188 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000914251594 1319277926 /nfs/dbraw/zinc/27/79/26/1319277926.db2.gz CLGKWQXKUOXOHF-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN Cc1cc(COC(=O)c2c(C3CCC3)cnn2C)ccc1[N+](=O)[O-] ZINC000857604757 1328561706 /nfs/dbraw/zinc/56/17/06/1328561706.db2.gz WXLVXSZOASSFDO-UHFFFAOYSA-N 0 0 329.356 3.261 10 5 EGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)nc1C ZINC000857677481 1328582013 /nfs/dbraw/zinc/58/20/13/1328582013.db2.gz MFMGHQUIUBARLW-UHFFFAOYSA-N 0 0 333.319 3.397 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccccc1OC(F)F ZINC000857728963 1328591401 /nfs/dbraw/zinc/59/14/01/1328591401.db2.gz GBKGIXSRSNDEQS-UHFFFAOYSA-N 0 0 338.266 3.257 10 5 EGBERN Cc1ccc(O[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000858008504 1328655395 /nfs/dbraw/zinc/65/53/95/1328655395.db2.gz DONHHGQRINYXNZ-LBPRGKRZSA-N 0 0 334.763 3.004 10 5 EGBERN CCO[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000858224300 1328714916 /nfs/dbraw/zinc/71/49/16/1328714916.db2.gz AWRRXMJKRIJXPK-CQSZACIVSA-N 0 0 328.796 3.268 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929872417 1328725954 /nfs/dbraw/zinc/72/59/54/1328725954.db2.gz WAQLWJMZZXWALO-HUUCEWRRSA-N 0 0 345.786 3.405 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000858287584 1328730370 /nfs/dbraw/zinc/73/03/70/1328730370.db2.gz DNHYFQCTBDZXCG-QGZVFWFLSA-N 0 0 338.363 3.223 10 5 EGBERN C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858487376 1328776715 /nfs/dbraw/zinc/77/67/15/1328776715.db2.gz YRUPSAWBELJJSU-LLVKDONJSA-N 0 0 346.387 3.468 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCOC12CCCC2 ZINC000930159449 1328801050 /nfs/dbraw/zinc/80/10/50/1328801050.db2.gz HGLBVSVKBDSGEI-CYBMUJFWSA-N 0 0 339.779 3.471 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOC[C@@H]1CC1CC1 ZINC000930158964 1328801065 /nfs/dbraw/zinc/80/10/65/1328801065.db2.gz BATQMBQGOVOAQM-LBPRGKRZSA-N 0 0 339.779 3.281 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1conc1C1CC1 ZINC000913384919 1319020513 /nfs/dbraw/zinc/02/05/13/1319020513.db2.gz JMCUHXAEUYHSKN-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN CC[C@H]1CCC[C@]1(C)C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000913531224 1319058840 /nfs/dbraw/zinc/05/88/40/1319058840.db2.gz GZWPHDIODDWLPT-UGSOOPFHSA-N 0 0 348.399 3.119 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC(F)(F)Br)c1 ZINC000858645079 1328815475 /nfs/dbraw/zinc/81/54/75/1328815475.db2.gz FXWXHSXXQSZWTM-UHFFFAOYSA-N 0 0 329.072 3.142 10 5 EGBERN CCc1ccc(OS(=O)(=O)CCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000914119175 1319244652 /nfs/dbraw/zinc/24/46/52/1319244652.db2.gz GGEWKTBLIZMDNA-UHFFFAOYSA-N 0 0 337.344 3.301 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000858651134 1328817824 /nfs/dbraw/zinc/81/78/24/1328817824.db2.gz IAODKCCSFHBSLE-FRRDWIJNSA-N 0 0 331.372 3.400 10 5 EGBERN Cc1sc(C(=O)OCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000914640203 1319359295 /nfs/dbraw/zinc/35/92/95/1319359295.db2.gz VNORPMRMAQNFKL-UHFFFAOYSA-N 0 0 325.317 3.340 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000915117094 1319425409 /nfs/dbraw/zinc/42/54/09/1319425409.db2.gz CVOBQJFWZUZAIC-OAHLLOKOSA-N 0 0 342.351 3.054 10 5 EGBERN CC(=O)N(C)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000858723860 1328841460 /nfs/dbraw/zinc/84/14/60/1328841460.db2.gz FAWGHCRWOUCLAZ-UHFFFAOYSA-N 0 0 328.372 3.201 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000858732743 1328845813 /nfs/dbraw/zinc/84/58/13/1328845813.db2.gz DMKMLRPLKXXIAW-JTQLQIEISA-N 0 0 342.298 3.260 10 5 EGBERN CCCCOc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c(C)c1 ZINC000930428188 1328853333 /nfs/dbraw/zinc/85/33/33/1328853333.db2.gz PAZMGRCWSNOAJW-UHFFFAOYSA-N 0 0 346.387 3.226 10 5 EGBERN CC/C=C/COC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000918504654 1319961704 /nfs/dbraw/zinc/96/17/04/1319961704.db2.gz DWQLUIGRHIQHRN-SNAWJCMRSA-N 0 0 331.271 3.328 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)c(C(F)(F)F)c1 ZINC000858802932 1328864813 /nfs/dbraw/zinc/86/48/13/1328864813.db2.gz OQVFWELGIYDXOF-IINYFYTJSA-N 0 0 330.306 3.212 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000930704949 1328943304 /nfs/dbraw/zinc/94/33/04/1328943304.db2.gz FPHQKIQUZSXUQA-QWRGUYRKSA-N 0 0 329.219 3.047 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1C[C@@H]2C[C@H]1CS2 ZINC000930706665 1328943726 /nfs/dbraw/zinc/94/37/26/1328943726.db2.gz WJRVNTWGGSAYCL-IUCAKERBSA-N 0 0 329.219 3.047 10 5 EGBERN C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000930748727 1328956028 /nfs/dbraw/zinc/95/60/28/1328956028.db2.gz ZPHKNVRVIRZPTC-LLVKDONJSA-N 0 0 340.807 3.207 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1([C@@H]2CCCCO2)CC1 ZINC000930864675 1328991103 /nfs/dbraw/zinc/99/11/03/1328991103.db2.gz VEFUNRKDDDMXAI-HNNXBMFYSA-N 0 0 333.388 3.435 10 5 EGBERN C[C@@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000919304061 1322051647 /nfs/dbraw/zinc/05/16/47/1322051647.db2.gz GWHCIXSKYJXQLF-SNVBAGLBSA-N 0 0 328.324 3.102 10 5 EGBERN C[C@@H](OC(=O)c1cc(-c2ccoc2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000919327414 1322057734 /nfs/dbraw/zinc/05/77/34/1322057734.db2.gz SRHQJLZXAFFZLD-SNVBAGLBSA-N 0 0 327.296 3.496 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC2(CCCCO2)CC1 ZINC000922064271 1322446866 /nfs/dbraw/zinc/44/68/66/1322446866.db2.gz MRBNUFVYWLOFNC-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN Cc1ccccc1SC[C@H](C)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859622531 1329037553 /nfs/dbraw/zinc/03/75/53/1329037553.db2.gz LVJJJGGDAHKHKP-LLVKDONJSA-N 0 0 349.412 3.222 10 5 EGBERN CCn1nc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000923511039 1322766350 /nfs/dbraw/zinc/76/63/50/1322766350.db2.gz CJVRANXAMNFSLL-UHFFFAOYSA-N 0 0 329.356 3.088 10 5 EGBERN CCCCS[C@H](C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859663640 1329048693 /nfs/dbraw/zinc/04/86/93/1329048693.db2.gz QSVPMGMGIBLJKQ-SNVBAGLBSA-N 0 0 343.376 3.382 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCc1nc2c(o1)CCCC2 ZINC000923960459 1322855963 /nfs/dbraw/zinc/85/59/63/1322855963.db2.gz AUNOTCPJKDSMLF-UHFFFAOYSA-N 0 0 348.330 3.277 10 5 EGBERN C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000923968161 1322859417 /nfs/dbraw/zinc/85/94/17/1322859417.db2.gz UVHQCTRVWOYIBD-XWIAVFTESA-N 0 0 340.379 3.238 10 5 EGBERN Cc1c(-c2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)cccc1[N+](=O)[O-] ZINC000924092967 1322898307 /nfs/dbraw/zinc/89/83/07/1322898307.db2.gz LEHMHMNDOHIIQJ-IUODEOHRSA-N 0 0 329.356 3.453 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc(C2CSC2)no1 ZINC000924109164 1322903740 /nfs/dbraw/zinc/90/37/40/1322903740.db2.gz QYTIIZFSZHUKHV-UHFFFAOYSA-N 0 0 325.777 3.247 10 5 EGBERN O=C(C[C@@H]1CCCC1(F)F)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000924326485 1322983189 /nfs/dbraw/zinc/98/31/89/1322983189.db2.gz CRSZINHMBOEEGP-NSHDSACASA-N 0 0 327.283 3.146 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000924400047 1323008120 /nfs/dbraw/zinc/00/81/20/1323008120.db2.gz NOYMMXBIXFXPCO-NUEKZKHPSA-N 0 0 331.416 3.215 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@@H](C)c2ccco2)c1 ZINC000859816211 1329084743 /nfs/dbraw/zinc/08/47/43/1329084743.db2.gz YPBYMQJLKVYUGU-LLVKDONJSA-N 0 0 347.323 3.211 10 5 EGBERN O=C(OCCO[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811770 1329083025 /nfs/dbraw/zinc/08/30/25/1329083025.db2.gz UHXCPABWGCMYFB-CQSZACIVSA-N 0 0 337.278 3.329 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000931333497 1329096252 /nfs/dbraw/zinc/09/62/52/1329096252.db2.gz WWRMRSFXZOCZGN-RPERQONWSA-N 0 0 345.399 3.190 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000931494771 1329130275 /nfs/dbraw/zinc/13/02/75/1329130275.db2.gz RECYGUBTWULCOE-WBMJQRKESA-N 0 0 335.429 3.374 10 5 EGBERN C[C@@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860178424 1329167560 /nfs/dbraw/zinc/16/75/60/1329167560.db2.gz AECSAGBXEOASQZ-RISCZKNCSA-N 0 0 332.356 3.045 10 5 EGBERN Cc1c(CC(=O)N=[S@@](C)(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000926014483 1325389397 /nfs/dbraw/zinc/38/93/97/1325389397.db2.gz NQKQTUXYNILEJH-QHCPKHFHSA-N 0 0 338.429 3.403 10 5 EGBERN Cc1noc(COC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1[N+](=O)[O-] ZINC000860406001 1329313999 /nfs/dbraw/zinc/31/39/99/1329313999.db2.gz FEBDZQAOVPBLIX-UHFFFAOYSA-N 0 0 331.328 3.331 10 5 EGBERN C[C@H](O)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860619109 1329336673 /nfs/dbraw/zinc/33/66/73/1329336673.db2.gz OUTZTVMZRLVODD-YVEFUNNKSA-N 0 0 328.368 3.124 10 5 EGBERN O=C(NC1CCC(CO)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860703360 1329346361 /nfs/dbraw/zinc/34/63/61/1329346361.db2.gz NNUKKWYXJXRNDM-UHFFFAOYSA-N 0 0 328.368 3.029 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862162059 1329463228 /nfs/dbraw/zinc/46/32/28/1329463228.db2.gz IEIRXDQRHTUFBI-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031250 1327824981 /nfs/dbraw/zinc/82/49/81/1327824981.db2.gz WVBPJNHJUVZVOA-IVMMDQJWSA-N 0 0 346.456 3.291 10 5 EGBERN COc1ccc(C(=O)NCC2CCC(SC)CC2)cc1[N+](=O)[O-] ZINC000927389925 1328000264 /nfs/dbraw/zinc/00/02/64/1328000264.db2.gz HHUIJZNYKDNXFD-UHFFFAOYSA-N 0 0 338.429 3.255 10 5 EGBERN COC[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000927591727 1328073785 /nfs/dbraw/zinc/07/37/85/1328073785.db2.gz SNOLDLHBKWUEOQ-OAHLLOKOSA-N 0 0 349.431 3.187 10 5 EGBERN CCC(O)(CC)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861246330 1329401863 /nfs/dbraw/zinc/40/18/63/1329401863.db2.gz XBAWZUHFMYBSLB-UHFFFAOYSA-N 0 0 330.384 3.419 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928132879 1328208247 /nfs/dbraw/zinc/20/82/47/1328208247.db2.gz HZHUZLAOJNKSSZ-SNVBAGLBSA-N 0 0 334.319 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cc(C(F)F)on1 ZINC000928151547 1328217778 /nfs/dbraw/zinc/21/77/78/1328217778.db2.gz BCDMWRODLKCIBC-UHFFFAOYSA-N 0 0 325.271 3.067 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1C[C@@]12CCOC2 ZINC000861445375 1329418788 /nfs/dbraw/zinc/41/87/88/1329418788.db2.gz GQUSRTOLFFLIIO-YRGRVCCFSA-N 0 0 345.273 3.168 10 5 EGBERN C[C@H](CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929007218 1328487380 /nfs/dbraw/zinc/48/73/80/1328487380.db2.gz YTZHBKTVOZXAFQ-CYBMUJFWSA-N 0 0 345.399 3.295 10 5 EGBERN CC(C)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862368797 1329479074 /nfs/dbraw/zinc/47/90/74/1329479074.db2.gz NJTQBTFKYXUVNY-SFHVURJKSA-N 0 0 342.395 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCCOC2)cc1Cl ZINC000862395648 1329481898 /nfs/dbraw/zinc/48/18/98/1329481898.db2.gz XBRCSMCMQIJYOK-NSHDSACASA-N 0 0 326.780 3.103 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCC(=O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000862770516 1329507716 /nfs/dbraw/zinc/50/77/16/1329507716.db2.gz CHDYNLFCWNMETE-UHFFFAOYSA-N 0 0 338.791 3.388 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[C@H]1CC=CCC1 ZINC000862945739 1329518974 /nfs/dbraw/zinc/51/89/74/1329518974.db2.gz APDADCUONZPTSA-LBPRGKRZSA-N 0 0 349.362 3.169 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)C1(C)CCCC1 ZINC000863062211 1329526863 /nfs/dbraw/zinc/52/68/63/1329526863.db2.gz LLSIDTSZRJDMHW-ACCUITESSA-N 0 0 330.384 3.264 10 5 EGBERN Cn1nc(CSCCOc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000863393048 1329551521 /nfs/dbraw/zinc/55/15/21/1329551521.db2.gz OKMHXNDIKYVXQW-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccns1 ZINC000863603408 1329565967 /nfs/dbraw/zinc/56/59/67/1329565967.db2.gz MFIBHACSRCZQRV-NSHDSACASA-N 0 0 346.412 3.143 10 5 EGBERN Cc1c(C(=O)NC[C@H]2CCCC23CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000863778471 1329580761 /nfs/dbraw/zinc/58/07/61/1329580761.db2.gz PZVKZEXRVHFDKQ-GFCCVEGCSA-N 0 0 347.371 3.430 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000864661177 1329635298 /nfs/dbraw/zinc/63/52/98/1329635298.db2.gz LNKFQIWXTFBTJN-ZBFHGGJFSA-N 0 0 338.791 3.166 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccnn1C1CCCC1 ZINC000865114371 1329670388 /nfs/dbraw/zinc/67/03/88/1329670388.db2.gz VOSKJWJGIGYCKS-UHFFFAOYSA-N 0 0 332.335 3.227 10 5 EGBERN CC(C)C(C)(C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865147076 1329673090 /nfs/dbraw/zinc/67/30/90/1329673090.db2.gz TUFGXKSNPSVYAZ-UHFFFAOYSA-N 0 0 343.221 3.451 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865342405 1329687534 /nfs/dbraw/zinc/68/75/34/1329687534.db2.gz MKUFCKJXXJSSLH-GFCCVEGCSA-N 0 0 327.764 3.213 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1CC1CC2(CCC2)C1 ZINC000865359978 1329688807 /nfs/dbraw/zinc/68/88/07/1329688807.db2.gz IZAJPRNMPRLBFQ-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000865367556 1329689375 /nfs/dbraw/zinc/68/93/75/1329689375.db2.gz DBTZQUKKSCEPKM-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN C[C@@H](O)c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000865567509 1329714579 /nfs/dbraw/zinc/71/45/79/1329714579.db2.gz NTUPNQKDZAFFGY-CYBMUJFWSA-N 0 0 343.383 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCO[C@@]2(CCCOC2)C1 ZINC000865793044 1329739119 /nfs/dbraw/zinc/73/91/19/1329739119.db2.gz ZCPYDVYLXUMYGC-AWEZNQCLSA-N 0 0 347.198 3.287 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CC23CCSCC3)cc1F ZINC000865883326 1329748908 /nfs/dbraw/zinc/74/89/08/1329748908.db2.gz LSSSMJACSHLYCG-NSHDSACASA-N 0 0 326.393 3.171 10 5 EGBERN Cc1ccc(CC2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)cc1 ZINC000865944492 1329753426 /nfs/dbraw/zinc/75/34/26/1329753426.db2.gz YSRDDWGAVYTREY-UHFFFAOYSA-N 0 0 330.359 3.214 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCC2(COC2)C1 ZINC000865951500 1329754158 /nfs/dbraw/zinc/75/41/58/1329754158.db2.gz APGFWAXRSOGUKY-UHFFFAOYSA-N 0 0 338.363 3.053 10 5 EGBERN Cc1nc(NCc2ccc(C3(C)OCCO3)cc2)ccc1[N+](=O)[O-] ZINC000866007259 1329758684 /nfs/dbraw/zinc/75/86/84/1329758684.db2.gz KZQDNPONPALXSO-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN COc1cc(N2CCC[C@H]2[C@H](O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000866053189 1330059958 /nfs/dbraw/zinc/05/99/58/1330059958.db2.gz OYNOSRGZAFNITB-KBXCAEBGSA-N 0 0 346.358 3.445 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000866052880 1330059988 /nfs/dbraw/zinc/05/99/88/1330059988.db2.gz NKGRTQWKKHVUEP-DZGCQCFKSA-N 0 0 333.775 3.346 10 5 EGBERN O=C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CCCCCCN1 ZINC000866056592 1330060742 /nfs/dbraw/zinc/06/07/42/1330060742.db2.gz RVZTWXVMZHGTGC-UHFFFAOYSA-N 0 0 342.399 3.030 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H](OC3CCC3)CC2)nc2ccccn21 ZINC000866146947 1330070509 /nfs/dbraw/zinc/07/05/09/1330070509.db2.gz BTCSOAMAZXLUOE-AWEZNQCLSA-N 0 0 330.388 3.171 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC23CCOCC3)s1 ZINC000866173481 1330073277 /nfs/dbraw/zinc/07/32/77/1330073277.db2.gz SOCODNNUNRITOE-JTQLQIEISA-N 0 0 334.401 3.218 10 5 EGBERN CC1(C)CC[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868334550 1330271696 /nfs/dbraw/zinc/27/16/96/1330271696.db2.gz ZVSLDGRAZXRLDI-GFCCVEGCSA-N 0 0 341.205 3.205 10 5 EGBERN CC(C)C1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000868577150 1330296034 /nfs/dbraw/zinc/29/60/34/1330296034.db2.gz VYZBYQGCAYOXLI-UHFFFAOYSA-N 0 0 341.205 3.205 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868673630 1330312366 /nfs/dbraw/zinc/31/23/66/1330312366.db2.gz WJBKXVFTHWUCCD-RDJZCZTQSA-N 0 0 349.431 3.154 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000869044907 1330401444 /nfs/dbraw/zinc/40/14/44/1330401444.db2.gz LSYQKPGXNCJIIL-CQSZACIVSA-N 0 0 343.358 3.457 10 5 EGBERN Cc1ccc(CNC(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000869055082 1330404664 /nfs/dbraw/zinc/40/46/64/1330404664.db2.gz PLZPNPBXPJCPOU-CQSZACIVSA-N 0 0 347.415 3.146 10 5 EGBERN O=C(NCC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000869612837 1330533374 /nfs/dbraw/zinc/53/33/74/1330533374.db2.gz UDDGQWHDIOWMPM-CYBMUJFWSA-N 0 0 349.456 3.068 10 5 EGBERN O=C(COC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000869810246 1330568627 /nfs/dbraw/zinc/56/86/27/1330568627.db2.gz GQQLNBWXIQDNDW-INIZCTEOSA-N 0 0 347.367 3.060 10 5 EGBERN O=C(OCc1cncc(F)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869812030 1330569500 /nfs/dbraw/zinc/56/95/00/1330569500.db2.gz ZKSNCARWQKPVRG-UHFFFAOYSA-N 0 0 330.315 3.294 10 5 EGBERN COC(=O)c1ccc(CN(C)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001184810944 1387543757 /nfs/dbraw/zinc/54/37/57/1387543757.db2.gz DLEAPJURDCHAOP-UHFFFAOYSA-N 0 0 332.331 3.465 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(-c3cc(-c4ccccc4)on3)o2)nc1 ZINC001324114533 1387544011 /nfs/dbraw/zinc/54/40/11/1387544011.db2.gz YRXRITURFHXJAN-UHFFFAOYSA-N 0 0 335.279 3.362 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC=C(c2ccccc2)C1 ZINC001185922993 1387827614 /nfs/dbraw/zinc/82/76/14/1387827614.db2.gz QVFFAJOBAZIPOD-UHFFFAOYSA-N 0 0 349.390 3.391 10 5 EGBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])c(F)c2F)c(C)o1 ZINC001189381961 1367007444 /nfs/dbraw/zinc/00/74/44/1367007444.db2.gz SSZMYEIWXPBODB-UHFFFAOYSA-N 0 0 327.239 3.140 10 5 EGBERN Cc1ccc(-c2nc(CSc3ncc([N+](=O)[O-])c(N)n3)co2)cc1 ZINC001189391280 1367011020 /nfs/dbraw/zinc/01/10/20/1367011020.db2.gz BZZQKLPDZOOOIM-UHFFFAOYSA-N 0 0 343.368 3.223 10 5 EGBERN O=c1oc2ccccc2cc1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001189753623 1367103669 /nfs/dbraw/zinc/10/36/69/1367103669.db2.gz XSKMGWLKRWIGIO-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN CC(C)COC(=O)N(C)CSCCOc1ccc([N+](=O)[O-])cc1 ZINC001189817631 1367113812 /nfs/dbraw/zinc/11/38/12/1367113812.db2.gz VBJWSFVTEZZBFH-UHFFFAOYSA-N 0 0 342.417 3.389 10 5 EGBERN CC(=O)c1ccc2c(c1)CN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC001195055711 1368367593 /nfs/dbraw/zinc/36/75/93/1368367593.db2.gz SDGLTACKGRILBQ-UHFFFAOYSA-N 0 0 336.351 3.190 10 5 EGBERN CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(=O)OC(C)(C)C ZINC001196056925 1368541748 /nfs/dbraw/zinc/54/17/48/1368541748.db2.gz NJQUDPBDUPZFAY-LBPRGKRZSA-N 0 0 338.404 3.156 10 5 EGBERN COC(=O)[C@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCCC(C)(C)C1 ZINC001196239303 1368573538 /nfs/dbraw/zinc/57/35/38/1368573538.db2.gz ZWROZDOSYRXOIO-KRWDZBQOSA-N 0 0 338.379 3.336 10 5 EGBERN O=[N+]([O-])c1ccccc1CN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001197978565 1368935906 /nfs/dbraw/zinc/93/59/06/1368935906.db2.gz JJQGWYFGZLCKKW-IBGZPJMESA-N 0 0 334.379 3.466 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1nccn1-c1ccccc1 ZINC001186613588 1387986048 /nfs/dbraw/zinc/98/60/48/1387986048.db2.gz YROOMZNBOXTSFV-NSHDSACASA-N 0 0 327.319 3.488 10 5 EGBERN Cc1cccnc1NC(=O)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC001186669156 1387996835 /nfs/dbraw/zinc/99/68/35/1387996835.db2.gz CDFZATDRAPHJNL-UHFFFAOYSA-N 0 0 334.763 3.392 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCc2cccc(Br)c2Cl)n1 ZINC001186713063 1387999832 /nfs/dbraw/zinc/99/98/32/1387999832.db2.gz IHAWCPOFGKNDPI-UHFFFAOYSA-N 0 0 345.584 3.356 10 5 EGBERN CNC(=O)CCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001186952172 1388032506 /nfs/dbraw/zinc/03/25/06/1388032506.db2.gz IWZWXULQWFTRSK-UHFFFAOYSA-N 0 0 344.392 3.054 10 5 EGBERN CC(=O)c1ccc(Nc2cccc(-c3cn(C)nn3)c2)c([N+](=O)[O-])c1 ZINC001187098860 1388051658 /nfs/dbraw/zinc/05/16/58/1388051658.db2.gz ACRSCARLPWCWFP-UHFFFAOYSA-N 0 0 337.339 3.337 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001118479446 1371187407 /nfs/dbraw/zinc/18/74/07/1371187407.db2.gz MFLHVQZEJHAVBZ-DOMZBBRYSA-N 0 0 346.339 3.108 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001118865121 1371243401 /nfs/dbraw/zinc/24/34/01/1371243401.db2.gz XPAHQGFWVTZAPA-OLZOCXBDSA-N 0 0 349.412 3.026 10 5 EGBERN COC(=O)Cc1ccc(NCc2noc3ccccc23)c([N+](=O)[O-])c1 ZINC001187577153 1388127333 /nfs/dbraw/zinc/12/73/33/1388127333.db2.gz XQKCHWYDIOVYQZ-UHFFFAOYSA-N 0 0 341.323 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCSC[C@@H]23)c(Cl)c1 ZINC001187593982 1388128826 /nfs/dbraw/zinc/12/88/26/1388128826.db2.gz RYWVMSSREKXJIX-KBPBESRZSA-N 0 0 327.837 3.240 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC[C@H]1CCOC1 ZINC001119616674 1371376064 /nfs/dbraw/zinc/37/60/64/1371376064.db2.gz CAOZOABDFKCJIA-LLVKDONJSA-N 0 0 327.764 3.151 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001119683186 1371387449 /nfs/dbraw/zinc/38/74/49/1371387449.db2.gz HXAQBJCJWRWFHD-BXUZGUMPSA-N 0 0 328.372 3.115 10 5 EGBERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839466 1371412288 /nfs/dbraw/zinc/41/22/88/1371412288.db2.gz ZHNJYMVGOIRNDY-JGPRNRPPSA-N 0 0 343.221 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001187654863 1388137833 /nfs/dbraw/zinc/13/78/33/1388137833.db2.gz STMUYFUCMQKZRH-LLVKDONJSA-N 0 0 348.384 3.419 10 5 EGBERN Cn1c2ccccc2c(NC[C@@H]2CCCC(C)(C)O2)c([N+](=O)[O-])c1=O ZINC001187815859 1388168903 /nfs/dbraw/zinc/16/89/03/1388168903.db2.gz BAAJPXHVGZYGNQ-LBPRGKRZSA-N 0 0 345.399 3.206 10 5 EGBERN CNC(=O)c1ccc(NC[C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001187897024 1388185820 /nfs/dbraw/zinc/18/58/20/1388185820.db2.gz KXFSPQLBJJVCPM-JKSUJKDBSA-N 0 0 339.395 3.245 10 5 EGBERN CNC(=O)c1ccc(NC[C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001187897023 1388186200 /nfs/dbraw/zinc/18/62/00/1388186200.db2.gz KXFSPQLBJJVCPM-HZPDHXFCSA-N 0 0 339.395 3.245 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@H](Cc3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001123360571 1372442090 /nfs/dbraw/zinc/44/20/90/1372442090.db2.gz OMOCMQFYPOPCEP-GFCCVEGCSA-N 0 0 346.412 3.456 10 5 EGBERN COC(=O)c1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001124114196 1372674559 /nfs/dbraw/zinc/67/45/59/1372674559.db2.gz AYVJONWSPHCSTR-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001124114322 1372675144 /nfs/dbraw/zinc/67/51/44/1372675144.db2.gz HZZOFHYDHDZNBN-JKSUJKDBSA-N 0 0 340.335 3.124 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C)c(OC)c(C)c1 ZINC001124152817 1372680434 /nfs/dbraw/zinc/68/04/34/1372680434.db2.gz LHTDBCHPKBVVJC-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN CC(C)Oc1cc(C(=O)NCc2ccccc2F)ccc1[N+](=O)[O-] ZINC001124189122 1372682121 /nfs/dbraw/zinc/68/21/21/1372682121.db2.gz WEYBORYUZXYGFG-UHFFFAOYSA-N 0 0 332.331 3.451 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(Br)cc2)n1 ZINC001124355859 1372695020 /nfs/dbraw/zinc/69/50/20/1372695020.db2.gz JWPYHNCOASACSE-UHFFFAOYSA-N 0 0 337.129 3.280 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124380535 1372696683 /nfs/dbraw/zinc/69/66/83/1372696683.db2.gz DCWBDBYRHJHNDA-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN Cc1cccc([C@@H]2C[C@H]2C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001124574198 1372712950 /nfs/dbraw/zinc/71/29/50/1372712950.db2.gz OHZCCBJFECKIIY-JKSUJKDBSA-N 0 0 339.395 3.235 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cncc2[nH]ccc21 ZINC001124845264 1372735293 /nfs/dbraw/zinc/73/52/93/1372735293.db2.gz YMGIHIAULNXJPT-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN COc1cc(C(=O)Nc2ccc(F)cc2OC)c([N+](=O)[O-])cc1F ZINC001124905923 1372739070 /nfs/dbraw/zinc/73/90/70/1372739070.db2.gz YAVWQFRPHPTIAC-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1ccc(Cl)s1 ZINC001125108651 1372753837 /nfs/dbraw/zinc/75/38/37/1372753837.db2.gz DIKFYSFDELFDIL-UHFFFAOYSA-N 0 0 342.779 3.350 10 5 EGBERN COc1cccc(C(F)F)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001125249737 1372763856 /nfs/dbraw/zinc/76/38/56/1372763856.db2.gz NGHJLSNYAJIKQN-UHFFFAOYSA-N 0 0 336.294 3.471 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001125418407 1372784282 /nfs/dbraw/zinc/78/42/82/1372784282.db2.gz FVVHZRCWYKQZNC-MSOLQXFVSA-N 0 0 341.363 3.428 10 5 EGBERN Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC001125613631 1372819314 /nfs/dbraw/zinc/81/93/14/1372819314.db2.gz KHJJZHCWYMJAAV-HZPDHXFCSA-N 0 0 336.351 3.293 10 5 EGBERN CCN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001125742784 1372844811 /nfs/dbraw/zinc/84/48/11/1372844811.db2.gz XBDBUCCJUXAFAY-UHFFFAOYSA-N 0 0 340.339 3.036 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001126148978 1372943330 /nfs/dbraw/zinc/94/33/30/1372943330.db2.gz LGQAYSBJRFAVSY-YPCHGGDPSA-N 0 0 344.392 3.074 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001126148975 1372943391 /nfs/dbraw/zinc/94/33/91/1372943391.db2.gz LGQAYSBJRFAVSY-DXMSMQRWSA-N 0 0 344.392 3.074 10 5 EGBERN COCCOc1cccc(COC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001126709518 1373002929 /nfs/dbraw/zinc/00/29/29/1373002929.db2.gz GKLLIZUXDRLBJW-UHFFFAOYSA-N 0 0 349.314 3.116 10 5 EGBERN CCC1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)(C(=O)OC)CC1 ZINC001126826981 1373037417 /nfs/dbraw/zinc/03/74/17/1373037417.db2.gz PMKQWIPCAYXPHP-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN O=C(Cc1cccc2cnccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126898687 1373049099 /nfs/dbraw/zinc/04/90/99/1373049099.db2.gz ZQSXWQXDNKGAFQ-UHFFFAOYSA-N 0 0 347.374 3.270 10 5 EGBERN O=C(Nc1ccc(F)nc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001127022575 1373071727 /nfs/dbraw/zinc/07/17/27/1373071727.db2.gz SCVHFADUUCQZAZ-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN COc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(Cl)n1 ZINC001127271828 1373111313 /nfs/dbraw/zinc/11/13/13/1373111313.db2.gz BMUBHHBOVJEJPB-UHFFFAOYSA-N 0 0 326.667 3.010 10 5 EGBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC001127829832 1373188221 /nfs/dbraw/zinc/18/82/21/1373188221.db2.gz CLSRPJRDJXXNTN-INIZCTEOSA-N 0 0 326.352 3.411 10 5 EGBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)c1cccnc1 ZINC001127864644 1373191706 /nfs/dbraw/zinc/19/17/06/1373191706.db2.gz USZBDIOEQKKYSA-UHFFFAOYSA-N 0 0 336.351 3.454 10 5 EGBERN Cc1cc(NC(=O)[C@]23C[C@H]2CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC001127967693 1373205314 /nfs/dbraw/zinc/20/53/14/1373205314.db2.gz OUPHWMZTMGTJAQ-KZULUSFZSA-N 0 0 325.368 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001128126250 1373221060 /nfs/dbraw/zinc/22/10/60/1373221060.db2.gz MRHYEXBQKPGZSG-HOTGVXAUSA-N 0 0 339.395 3.439 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C[C@H]1COc2ccccc2O1 ZINC001128304967 1373250057 /nfs/dbraw/zinc/25/00/57/1373250057.db2.gz IBQXQNAKSXVICT-NSHDSACASA-N 0 0 346.314 3.211 10 5 EGBERN Cc1cccnc1COC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128341027 1373254782 /nfs/dbraw/zinc/25/47/82/1373254782.db2.gz XAWOVCYLEHLIIH-UHFFFAOYSA-N 0 0 337.335 3.391 10 5 EGBERN Cc1cc(C)c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC001128430499 1373265705 /nfs/dbraw/zinc/26/57/05/1373265705.db2.gz QEZPXCULLLZQQC-UHFFFAOYSA-N 0 0 347.298 3.436 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001128472872 1373273648 /nfs/dbraw/zinc/27/36/48/1373273648.db2.gz ZQYOFEOBAALDGI-KFWWJZLASA-N 0 0 333.432 3.220 10 5 EGBERN C[Si](C)(C)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001128604832 1373297058 /nfs/dbraw/zinc/29/70/58/1373297058.db2.gz JSJJCZYIXBAHGT-UHFFFAOYSA-N 0 0 346.434 3.209 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c1C ZINC001128734091 1373306110 /nfs/dbraw/zinc/30/61/10/1373306110.db2.gz GJNNONMDHIVYPI-UHFFFAOYSA-N 0 0 329.356 3.484 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cnc1Cl ZINC001129198508 1373360765 /nfs/dbraw/zinc/36/07/65/1373360765.db2.gz WPIGWVJZQRRNFR-UHFFFAOYSA-N 0 0 342.138 3.314 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2COc3ccccc32)cc1Cl ZINC001129562799 1373398202 /nfs/dbraw/zinc/39/82/02/1373398202.db2.gz GPEHFPJTNGOWAW-LLVKDONJSA-N 0 0 346.770 3.463 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@H](C)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001129633393 1373405099 /nfs/dbraw/zinc/40/50/99/1373405099.db2.gz IXGAMQDDDPDYBD-LLVKDONJSA-N 0 0 336.388 3.326 10 5 EGBERN COc1ncc(Br)cc1COc1cccc([N+](=O)[O-])c1 ZINC001188210556 1388265972 /nfs/dbraw/zinc/26/59/72/1388265972.db2.gz UGENCBRYIIYAEY-UHFFFAOYSA-N 0 0 339.145 3.340 10 5 EGBERN O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccc(Cl)c2ccccc12 ZINC001130393935 1373517929 /nfs/dbraw/zinc/51/79/29/1373517929.db2.gz CHBBGCKNESPXDZ-UHFFFAOYSA-N 0 0 345.742 3.341 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2occc2c1 ZINC001130710647 1373582927 /nfs/dbraw/zinc/58/29/27/1373582927.db2.gz YULCWTLSNIYIMV-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[C@@H](C)CC1 ZINC001130737598 1373586156 /nfs/dbraw/zinc/58/61/56/1373586156.db2.gz LTVLANYXNARVIM-CKSWESSHSA-N 0 0 348.399 3.063 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cn1 ZINC001130758998 1373588715 /nfs/dbraw/zinc/58/87/15/1373588715.db2.gz WJCQQJIMPGSDQY-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN CCOc1cc(NC(=O)c2c3ccccc3nn2C)ccc1[N+](=O)[O-] ZINC001130799102 1373592774 /nfs/dbraw/zinc/59/27/74/1373592774.db2.gz TUEDQOUPKLJHAZ-UHFFFAOYSA-N 0 0 340.339 3.133 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2nccnc2c1 ZINC001130960136 1373616541 /nfs/dbraw/zinc/61/65/41/1373616541.db2.gz UOJKCACQAMJQEP-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN CCOc1cc(NC(=O)CCc2nc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC001130997845 1373622349 /nfs/dbraw/zinc/62/23/49/1373622349.db2.gz VFJAKMCZURMYII-UHFFFAOYSA-N 0 0 348.359 3.071 10 5 EGBERN CCOc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001131218041 1373664170 /nfs/dbraw/zinc/66/41/70/1373664170.db2.gz WJXNHAYWBVTJFJ-UHFFFAOYSA-N 0 0 333.319 3.099 10 5 EGBERN COc1cc(C(=O)Nc2cccc3c2OCC3)cc([N+](=O)[O-])c1C ZINC001131257124 1373670646 /nfs/dbraw/zinc/67/06/46/1373670646.db2.gz KQIVQFKVLJLHIB-UHFFFAOYSA-N 0 0 328.324 3.099 10 5 EGBERN O=C([O-])[C@H](CCF)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001326717564 1388289305 /nfs/dbraw/zinc/28/93/05/1388289305.db2.gz SEQIZRXEQYXSAM-LBPRGKRZSA-N 0 0 338.360 3.226 10 5 EGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CC(F)(F)c1ccc(F)cc1 ZINC001188466373 1388314115 /nfs/dbraw/zinc/31/41/15/1388314115.db2.gz ZVMUJXUUHWYSMO-UHFFFAOYSA-N 0 0 338.241 3.434 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1CSc1cccc[n+]1[O-] ZINC001188539590 1388327577 /nfs/dbraw/zinc/32/75/77/1388327577.db2.gz NUTDKFOQDZLDQY-UHFFFAOYSA-N 0 0 341.186 3.283 10 5 EGBERN COc1cccc2c1OCC[C@H]2OC(=O)c1ccccc1[N+](=O)[O-] ZINC001132287701 1375268412 /nfs/dbraw/zinc/26/84/12/1375268412.db2.gz OWVWIPVJCGXULC-CQSZACIVSA-N 0 0 329.308 3.284 10 5 EGBERN CC1(C)C[C@H](OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC001327102899 1388381060 /nfs/dbraw/zinc/38/10/60/1388381060.db2.gz JUGFFWWIMKHWOV-JTQLQIEISA-N 0 0 345.804 3.451 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(C)oc1C(F)(F)F ZINC001132750131 1375545974 /nfs/dbraw/zinc/54/59/74/1375545974.db2.gz ADTPKOQTZXVWCH-UHFFFAOYSA-N 0 0 345.233 3.171 10 5 EGBERN C[C@@H](OC(=O)c1sccc1-n1ccnn1)c1ccccc1[N+](=O)[O-] ZINC001132759063 1375550688 /nfs/dbraw/zinc/55/06/88/1375550688.db2.gz SSLLDYYTSLGSFH-SNVBAGLBSA-N 0 0 344.352 3.155 10 5 EGBERN Cc1nn(Cc2ccc([Si](C)(C)C)cc2)c2ncc([N+](=O)[O-])cc12 ZINC001188852709 1388391727 /nfs/dbraw/zinc/39/17/27/1388391727.db2.gz DSGXXQVMPWFYRV-UHFFFAOYSA-N 0 0 340.459 3.241 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCCc1ccc(C)s1 ZINC001132960348 1375675549 /nfs/dbraw/zinc/67/55/49/1375675549.db2.gz TXGXHNYMRPWLFO-UHFFFAOYSA-N 0 0 335.385 3.330 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC001133016940 1375713064 /nfs/dbraw/zinc/71/30/64/1375713064.db2.gz FBDBFMYAABWKJE-UHFFFAOYSA-N 0 0 327.340 3.370 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)s1 ZINC001133082905 1375764202 /nfs/dbraw/zinc/76/42/02/1375764202.db2.gz WKSFQSBXPJVUGX-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC001133137851 1375798919 /nfs/dbraw/zinc/79/89/19/1375798919.db2.gz YEBXTIAUILDWPI-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN C[C@H](NC(=O)COc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001133706677 1376167732 /nfs/dbraw/zinc/16/77/32/1376167732.db2.gz QFUMJAGVCATYRA-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1ccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2n1 ZINC001134033785 1376320249 /nfs/dbraw/zinc/32/02/49/1376320249.db2.gz WPPCVELCLHKWGI-UHFFFAOYSA-N 0 0 328.353 3.089 10 5 EGBERN Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2n1 ZINC001134032769 1376320433 /nfs/dbraw/zinc/32/04/33/1376320433.db2.gz DPUKHSKOBDZTQU-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN COc1cc(C(=O)NCC[C@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC001134743478 1376692754 /nfs/dbraw/zinc/69/27/54/1376692754.db2.gz VOEFLWOUMMIBRX-LLVKDONJSA-N 0 0 342.342 3.467 10 5 EGBERN COc1ccc2c(c1)C=C(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)CO2 ZINC001134963169 1376812935 /nfs/dbraw/zinc/81/29/35/1376812935.db2.gz XKNPWSZTHRTLHS-UHFFFAOYSA-N 0 0 340.335 3.326 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC001135055317 1376870356 /nfs/dbraw/zinc/87/03/56/1376870356.db2.gz JCEWHAQDRAEEJB-UONOGXRCSA-N 0 0 347.371 3.368 10 5 EGBERN O=C(Nc1ccnc(-n2cccn2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001135073797 1376880674 /nfs/dbraw/zinc/88/06/74/1376880674.db2.gz ZIZBGENPLAJPCA-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001135118500 1376912109 /nfs/dbraw/zinc/91/21/09/1376912109.db2.gz JJNCISOYIUHWLO-MLHJIOFPSA-N 0 0 344.411 3.258 10 5 EGBERN Cc1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC001135146584 1376933211 /nfs/dbraw/zinc/93/32/11/1376933211.db2.gz SQLNDAHNADCPAF-UHFFFAOYSA-N 0 0 334.372 3.354 10 5 EGBERN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)cn1 ZINC001135226569 1376988172 /nfs/dbraw/zinc/98/81/72/1376988172.db2.gz RIWMCIIIJYIKFO-LSDHHAIUSA-N 0 0 336.351 3.224 10 5 EGBERN CC(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001135472688 1377110263 /nfs/dbraw/zinc/11/02/63/1377110263.db2.gz GKUHUDSFVKMONE-UHFFFAOYSA-N 0 0 327.384 3.273 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(F)(F)C1(O)CCCCC1 ZINC001135495085 1377118557 /nfs/dbraw/zinc/11/85/57/1377118557.db2.gz QBUKUKUVPZIKRP-UHFFFAOYSA-N 0 0 342.342 3.481 10 5 EGBERN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001135897213 1377254013 /nfs/dbraw/zinc/25/40/13/1377254013.db2.gz UFBNENKBVOGSDF-QGZVFWFLSA-N 0 0 341.367 3.163 10 5 EGBERN Cc1cc(COC(=O)C[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001266572774 1377335429 /nfs/dbraw/zinc/33/54/29/1377335429.db2.gz VLKJQUJZGPZEQE-HNNXBMFYSA-N 0 0 327.336 3.340 10 5 EGBERN O=C(Nc1cc(-n2cccc2)ccc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136537450 1377403512 /nfs/dbraw/zinc/40/35/12/1377403512.db2.gz KDRMGRRRCRUCMM-UHFFFAOYSA-N 0 0 349.709 3.153 10 5 EGBERN Cc1ccc(C)c(C(=O)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC001189255999 1388498624 /nfs/dbraw/zinc/49/86/24/1388498624.db2.gz LFHYZMVSNMKPKD-UHFFFAOYSA-N 0 0 326.308 3.002 10 5 EGBERN CCc1cnc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)s1 ZINC001136911728 1377439042 /nfs/dbraw/zinc/43/90/42/1377439042.db2.gz DQLXDKPGZXQWEZ-UHFFFAOYSA-N 0 0 327.312 3.453 10 5 EGBERN O=C(c1cnc2[nH]ccc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137956783 1377653649 /nfs/dbraw/zinc/65/36/49/1377653649.db2.gz DNRHXYHNAJUTME-UHFFFAOYSA-N 0 0 336.351 3.228 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(C=O)cc1F ZINC001138820192 1377790962 /nfs/dbraw/zinc/79/09/62/1377790962.db2.gz VMFHLFADKGPWML-UHFFFAOYSA-N 0 0 348.305 3.000 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001139892836 1377973751 /nfs/dbraw/zinc/97/37/51/1377973751.db2.gz VVHBPOGMOABKLO-YPMHNXCESA-N 0 0 349.749 3.255 10 5 EGBERN C[C@@H](O)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC001140257901 1378037322 /nfs/dbraw/zinc/03/73/22/1378037322.db2.gz RZMJWJBDJCQYNB-SECBINFHSA-N 0 0 336.294 3.108 10 5 EGBERN COCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001140839587 1378156043 /nfs/dbraw/zinc/15/60/43/1378156043.db2.gz KFVOAOKKBKJMLD-UHFFFAOYSA-N 0 0 348.786 3.470 10 5 EGBERN COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001278666348 1378286905 /nfs/dbraw/zinc/28/69/05/1378286905.db2.gz LKLOUGYJFHRBJD-MEDUHNTESA-N 0 0 340.379 3.370 10 5 EGBERN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001141299630 1378295453 /nfs/dbraw/zinc/29/54/53/1378295453.db2.gz MDLIIRYJDRWGTM-OAHLLOKOSA-N 0 0 334.759 3.054 10 5 EGBERN CC(=O)c1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1O ZINC001141649273 1378357686 /nfs/dbraw/zinc/35/76/86/1378357686.db2.gz JMKORHZWIRDPMS-UHFFFAOYSA-N 0 0 334.715 3.409 10 5 EGBERN Nc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC001141768169 1378372911 /nfs/dbraw/zinc/37/29/11/1378372911.db2.gz ZEIOEZTZBBWIQS-UHFFFAOYSA-N 0 0 341.367 3.073 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148776509 1379266248 /nfs/dbraw/zinc/26/62/48/1379266248.db2.gz WJYSBDBUJARCLR-NSHDSACASA-N 0 0 334.763 3.087 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001149371768 1379371783 /nfs/dbraw/zinc/37/17/83/1379371783.db2.gz VONILMOPPGEGDV-CYBMUJFWSA-N 0 0 344.342 3.200 10 5 EGBERN O=C(Cc1ccc(O)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001149519787 1379395770 /nfs/dbraw/zinc/39/57/70/1379395770.db2.gz XZOPOKQZPZCITC-UHFFFAOYSA-N 0 0 346.770 3.081 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(F)c1 ZINC001150365759 1379539437 /nfs/dbraw/zinc/53/94/37/1379539437.db2.gz DQMSYQGNJWVEDX-UHFFFAOYSA-N 0 0 336.344 3.091 10 5 EGBERN CC(C)CO[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001150431553 1379552616 /nfs/dbraw/zinc/55/26/16/1379552616.db2.gz MRPZECHPNLLAEA-CYBMUJFWSA-N 0 0 340.807 3.064 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001151016822 1379648952 /nfs/dbraw/zinc/64/89/52/1379648952.db2.gz FGSURSOEJJMTIT-UHFFFAOYSA-N 0 0 347.281 3.243 10 5 EGBERN CO[C@@H](COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001327968578 1388634885 /nfs/dbraw/zinc/63/48/85/1388634885.db2.gz WOYTWMNBCKSLDH-BMIGLBTASA-N 0 0 325.336 3.196 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cc(CC2CC2)[nH]n1 ZINC001152521914 1379944012 /nfs/dbraw/zinc/94/40/12/1379944012.db2.gz ICEIEWWJFXZIEJ-UHFFFAOYSA-N 0 0 348.790 3.495 10 5 EGBERN C[C@H](CSC(F)(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001153485640 1380083963 /nfs/dbraw/zinc/08/39/63/1380083963.db2.gz NGOFHBDBFMRBRG-ZCFIWIBFSA-N 0 0 348.306 3.299 10 5 EGBERN Cc1c(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)cccc1[N+](=O)[O-] ZINC001154301159 1380251141 /nfs/dbraw/zinc/25/11/41/1380251141.db2.gz HQCIOYMKOWERFF-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC001155853080 1380499087 /nfs/dbraw/zinc/49/90/87/1380499087.db2.gz LPEATMFNQYYXBT-INIZCTEOSA-N 0 0 348.786 3.328 10 5 EGBERN COc1ccc(/C=C\C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001158231898 1381168118 /nfs/dbraw/zinc/16/81/18/1381168118.db2.gz MZHYGIQXLONUMB-POHAHGRESA-N 0 0 327.340 3.146 10 5 EGBERN CC(C)c1coc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001287592367 1381278341 /nfs/dbraw/zinc/27/83/41/1381278341.db2.gz BKBOLASMBSIGNS-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN O=C(NCCCOc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC001158659391 1381339812 /nfs/dbraw/zinc/33/98/12/1381339812.db2.gz AAVWGQCKNUMIMS-UHFFFAOYSA-N 0 0 336.294 3.072 10 5 EGBERN COc1cc(C(=O)NCc2ccc3cccnc3c2)ccc1[N+](=O)[O-] ZINC001287719001 1381362354 /nfs/dbraw/zinc/36/23/54/1381362354.db2.gz XANPTTKGPUNCPJ-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001287764693 1381377132 /nfs/dbraw/zinc/37/71/32/1381377132.db2.gz VSXXHTJEJPFYIR-KURKYZTESA-N 0 0 336.391 3.399 10 5 EGBERN CCC(=O)Nc1cccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001287962352 1381450188 /nfs/dbraw/zinc/45/01/88/1381450188.db2.gz QBYWHXMPXNPYKN-UHFFFAOYSA-N 0 0 341.367 3.182 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C2CCC2)CC1 ZINC001288165305 1381611973 /nfs/dbraw/zinc/61/19/73/1381611973.db2.gz MZFFMOZUWPYGML-ZDUSSCGKSA-N 0 0 346.383 3.366 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCOc1cc(C)ccc1C ZINC001288211602 1381728002 /nfs/dbraw/zinc/72/80/02/1381728002.db2.gz GEKUZVJCYZOCRB-UHFFFAOYSA-N 0 0 345.355 3.023 10 5 EGBERN O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001288822787 1381946510 /nfs/dbraw/zinc/94/65/10/1381946510.db2.gz OGALUWRLRHHVHH-DOMZBBRYSA-N 0 0 329.400 3.335 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001289363891 1381994774 /nfs/dbraw/zinc/99/47/74/1381994774.db2.gz AABPJHDOSYRIRZ-CQSZACIVSA-N 0 0 348.305 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOc1cccc(F)c1 ZINC001289580327 1382004401 /nfs/dbraw/zinc/00/44/01/1382004401.db2.gz CFSLSFUKFQOBIM-UHFFFAOYSA-N 0 0 332.331 3.241 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001289902580 1382018825 /nfs/dbraw/zinc/01/88/25/1382018825.db2.gz DCMUENWGCPVTHJ-SNVBAGLBSA-N 0 0 349.337 3.430 10 5 EGBERN CNc1ccc(C(=O)N(C[C@H]2CCC[C@H](C)C2)OC)cc1[N+](=O)[O-] ZINC001160269735 1382056933 /nfs/dbraw/zinc/05/69/33/1382056933.db2.gz WHARFGGWCZLSKR-STQMWFEESA-N 0 0 335.404 3.466 10 5 EGBERN Cc1ccc(NC(=O)c2cc3cc[nH]c(=O)c3s2)cc1[N+](=O)[O-] ZINC001290429704 1382090910 /nfs/dbraw/zinc/09/09/10/1382090910.db2.gz CFTODXHXGGABOD-UHFFFAOYSA-N 0 0 329.337 3.059 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]cnc2c1F ZINC001160556171 1382141117 /nfs/dbraw/zinc/14/11/17/1382141117.db2.gz MVDMKSPAESNQIH-UHFFFAOYSA-N 0 0 344.302 3.261 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC001291901475 1382160755 /nfs/dbraw/zinc/16/07/55/1382160755.db2.gz DIUAEMQREZGANV-HNNXBMFYSA-N 0 0 343.358 3.285 10 5 EGBERN O=C(NCc1ccc2sccc2c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001160672400 1382167349 /nfs/dbraw/zinc/16/73/49/1382167349.db2.gz HIZQERKXKNSTNB-MRXNPFEDSA-N 0 0 342.376 3.159 10 5 EGBERN C[C@H](c1ccccn1)N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001292392487 1382188605 /nfs/dbraw/zinc/18/86/05/1382188605.db2.gz UVHHLHUXXWRPRG-SECBINFHSA-N 0 0 334.763 3.059 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC001161333260 1382372722 /nfs/dbraw/zinc/37/27/22/1382372722.db2.gz LXIGFIHCGIIYSR-UHFFFAOYSA-N 0 0 346.770 3.496 10 5 EGBERN CC(=O)OCC(C)(C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294093923 1382416691 /nfs/dbraw/zinc/41/66/91/1382416691.db2.gz FPBUVBXMMCRRHJ-LBPRGKRZSA-N 0 0 336.388 3.060 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)CC1 ZINC001294594063 1382475266 /nfs/dbraw/zinc/47/52/66/1382475266.db2.gz JTXSLNYGNBNSMM-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN COc1cc(CNc2c([N+](=O)[O-])cnn2C)ccc1OCCC(C)C ZINC001162171731 1382648006 /nfs/dbraw/zinc/64/80/06/1382648006.db2.gz XPIQLXWYHZQOBV-UHFFFAOYSA-N 0 0 348.403 3.374 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCOC(C)(C)C ZINC001162297634 1382724979 /nfs/dbraw/zinc/72/49/79/1382724979.db2.gz RFHVQHWYRNHYOV-UHFFFAOYSA-N 0 0 330.768 3.262 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCc2ccccc21 ZINC001162510979 1382777423 /nfs/dbraw/zinc/77/74/23/1382777423.db2.gz UQWQBUNNARHWKO-JTQLQIEISA-N 0 0 340.305 3.489 10 5 EGBERN CSCCCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162567696 1382793582 /nfs/dbraw/zinc/79/35/82/1382793582.db2.gz HSQYXOVXMJFMRS-UHFFFAOYSA-N 0 0 336.373 3.028 10 5 EGBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001162654463 1382822576 /nfs/dbraw/zinc/82/25/76/1382822576.db2.gz IMPHOUIVLHSQEV-QAPCUYQASA-N 0 0 339.326 3.443 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@H]1OC ZINC001162994731 1382941423 /nfs/dbraw/zinc/94/14/23/1382941423.db2.gz MDFKBMLYBHFAOE-DMDPSCGWSA-N 0 0 334.294 3.218 10 5 EGBERN O=c1[nH]ccc(NC[C@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001163100025 1382965249 /nfs/dbraw/zinc/96/52/49/1382965249.db2.gz SULSQFNOQVZRJL-SNVBAGLBSA-N 0 0 327.262 3.453 10 5 EGBERN COc1ccc(Cl)cc1[C@@H](O)CNc1ncc(C)cc1[N+](=O)[O-] ZINC001163294866 1383014389 /nfs/dbraw/zinc/01/43/89/1383014389.db2.gz SGMCBORHGNWKIF-ZDUSSCGKSA-N 0 0 337.763 3.106 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001163605107 1383087640 /nfs/dbraw/zinc/08/76/40/1383087640.db2.gz HTGGVPJYTZXRLV-JTQLQIEISA-N 0 0 335.301 3.420 10 5 EGBERN C[C@@H](O)[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001163657127 1383096856 /nfs/dbraw/zinc/09/68/56/1383096856.db2.gz SNOCTOQCRYMODB-HWPZZCPQSA-N 0 0 342.330 3.211 10 5 EGBERN O=C(NCCc1cccc2[nH]ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001296969763 1383101407 /nfs/dbraw/zinc/10/14/07/1383101407.db2.gz RNTGQXDYNUZYTD-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1cnc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001163734182 1383116251 /nfs/dbraw/zinc/11/62/51/1383116251.db2.gz UBIGUBCAYHAAJA-AWEZNQCLSA-N 0 0 327.319 3.362 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2COc3cccc(C)c3C2)c1 ZINC001163768901 1383120417 /nfs/dbraw/zinc/12/04/17/1383120417.db2.gz FTDRXVGAEJASRN-CYBMUJFWSA-N 0 0 342.351 3.105 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCCS3)c2c1 ZINC001163825958 1383126093 /nfs/dbraw/zinc/12/60/93/1383126093.db2.gz NYEMKUVDZKLJTC-LBPRGKRZSA-N 0 0 333.413 3.271 10 5 EGBERN CN(C(N)=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001297315885 1383142406 /nfs/dbraw/zinc/14/24/06/1383142406.db2.gz HRZQGJVUWHTZDS-UHFFFAOYSA-N 0 0 348.746 3.015 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001164078682 1383153621 /nfs/dbraw/zinc/15/36/21/1383153621.db2.gz YYZWGXIPSZGATC-IYNGYCSASA-N 0 0 334.372 3.008 10 5 EGBERN COC(=O)CC(C)(C)CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001164152196 1383161069 /nfs/dbraw/zinc/16/10/69/1383161069.db2.gz OVPATJBNKLGLSD-UHFFFAOYSA-N 0 0 330.768 3.258 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001164260228 1383172174 /nfs/dbraw/zinc/17/21/74/1383172174.db2.gz BCRWFIDRXYTYMD-PSXDXFIYSA-N 0 0 348.399 3.134 10 5 EGBERN CCc1noc([C@@H]2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001164282411 1383174155 /nfs/dbraw/zinc/17/41/55/1383174155.db2.gz JEPYKSFBOUEGOP-PSASIEDQSA-N 0 0 337.767 3.337 10 5 EGBERN CNC(=O)c1ccc(NCC2(OC)CCCCCC2)c([N+](=O)[O-])c1 ZINC001164317744 1383177251 /nfs/dbraw/zinc/17/72/51/1383177251.db2.gz GZSZARDFRZFMOQ-UHFFFAOYSA-N 0 0 335.404 3.106 10 5 EGBERN COc1cc(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc(OC)c1 ZINC001164379156 1383182840 /nfs/dbraw/zinc/18/28/40/1383182840.db2.gz FMKJJXFSHSJAOS-UHFFFAOYSA-N 0 0 347.327 3.175 10 5 EGBERN Cn1cc(COc2ccc(-c3ccccc3)cc2C=O)c([N+](=O)[O-])n1 ZINC001165614929 1383315653 /nfs/dbraw/zinc/31/56/53/1383315653.db2.gz KQGRGBBAVSKZLE-UHFFFAOYSA-N 0 0 337.335 3.387 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1CC1CCC2(CC2)CC1 ZINC001165842281 1383351858 /nfs/dbraw/zinc/35/18/58/1383351858.db2.gz UOTKQHKVJDBDBC-UHFFFAOYSA-N 0 0 341.205 3.489 10 5 EGBERN Cc1cncc(-c2nc(COc3cc(F)cc([N+](=O)[O-])c3)no2)c1 ZINC001165889775 1383358734 /nfs/dbraw/zinc/35/87/34/1383358734.db2.gz RCSRGEOIVNYIPN-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cnc(-c2ccccc2)o1 ZINC001166112208 1383390615 /nfs/dbraw/zinc/39/06/15/1383390615.db2.gz SSZQUCNBFRNXAY-UHFFFAOYSA-N 0 0 337.291 3.206 10 5 EGBERN O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1F ZINC001298318208 1383391368 /nfs/dbraw/zinc/39/13/68/1383391368.db2.gz NTAOBTLIBXJVIN-SECBINFHSA-N 0 0 349.265 3.224 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c[nH]c2ncccc12 ZINC001298825775 1383434811 /nfs/dbraw/zinc/43/48/11/1383434811.db2.gz XQIPOOQLWKTCDE-UHFFFAOYSA-N 0 0 326.312 3.122 10 5 EGBERN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 ZINC001167420643 1383629623 /nfs/dbraw/zinc/62/96/23/1383629623.db2.gz HTCFKEUAPRHMGF-GWCFXTLKSA-N 0 0 343.221 3.357 10 5 EGBERN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(F)c1 ZINC001299933088 1383635440 /nfs/dbraw/zinc/63/54/40/1383635440.db2.gz IGQYWNBYIYXXIN-SECBINFHSA-N 0 0 338.285 3.432 10 5 EGBERN O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001299922315 1383635504 /nfs/dbraw/zinc/63/55/04/1383635504.db2.gz OTACPOUDQHBMGY-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN Cc1ccncc1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001300508193 1383668173 /nfs/dbraw/zinc/66/81/73/1383668173.db2.gz SZFIMFJAWIBYPG-UHFFFAOYSA-N 0 0 337.738 3.063 10 5 EGBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001301401428 1383712907 /nfs/dbraw/zinc/71/29/07/1383712907.db2.gz MEZXPDYRRNNDLQ-UHFFFAOYSA-N 0 0 342.248 3.395 10 5 EGBERN Cc1cc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC001301695463 1383726866 /nfs/dbraw/zinc/72/68/66/1383726866.db2.gz WPCBDAZVEWLQHT-HNNXBMFYSA-N 0 0 339.351 3.107 10 5 EGBERN O=C(NOc1ccccc1F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001303333334 1383794097 /nfs/dbraw/zinc/79/40/97/1383794097.db2.gz JSNGRWVGDOTPKM-UHFFFAOYSA-N 0 0 328.658 3.250 10 5 EGBERN CCCC[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529405 1383803061 /nfs/dbraw/zinc/80/30/61/1383803061.db2.gz OVTBOAIEIQIHJH-GFCCVEGCSA-N 0 0 332.404 3.346 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC(Cl)(Cl)C1 ZINC001304045340 1383825364 /nfs/dbraw/zinc/82/53/64/1383825364.db2.gz RFAVEORTQDRYBE-UHFFFAOYSA-N 0 0 342.182 3.071 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2c1 ZINC001306916052 1383919657 /nfs/dbraw/zinc/91/96/57/1383919657.db2.gz SHQAPANHANZFGE-UHFFFAOYSA-N 0 0 339.355 3.051 10 5 EGBERN COC(=O)c1ccnc(N[C@@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC001306951941 1383925163 /nfs/dbraw/zinc/92/51/63/1383925163.db2.gz WXNIZYJYRIAGNC-LBPRGKRZSA-N 0 0 329.356 3.128 10 5 EGBERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1ncc([N+](=O)[O-])cc1F ZINC001306995294 1383931834 /nfs/dbraw/zinc/93/18/34/1383931834.db2.gz NCYSUXGBXVRKKJ-UHFFFAOYSA-N 0 0 327.319 3.155 10 5 EGBERN CCOc1cc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(C)n1 ZINC001307083495 1383938010 /nfs/dbraw/zinc/93/80/10/1383938010.db2.gz NIUPLEMRAHACCN-UHFFFAOYSA-N 0 0 328.372 3.261 10 5 EGBERN C[C@](O)(CNc1c(Cl)cncc1[N+](=O)[O-])c1ccccc1Cl ZINC001307089924 1383938960 /nfs/dbraw/zinc/93/89/60/1383938960.db2.gz DCQFLKWTORUDNE-AWEZNQCLSA-N 0 0 342.182 3.038 10 5 EGBERN CC(C)SCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307114699 1383942450 /nfs/dbraw/zinc/94/24/50/1383942450.db2.gz MJFYGVOGRMNYAL-UHFFFAOYSA-N 0 0 336.373 3.027 10 5 EGBERN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001307142770 1383944843 /nfs/dbraw/zinc/94/48/43/1383944843.db2.gz WYZSFSCSPGZODB-AWEZNQCLSA-N 0 0 329.375 3.445 10 5 EGBERN C[C@@H]1C[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[C@@H](C)O1 ZINC001307144195 1383944938 /nfs/dbraw/zinc/94/49/38/1383944938.db2.gz RNPQBWGGECNUOG-MXWKQRLJSA-N 0 0 335.791 3.444 10 5 EGBERN C[C@H](COc1c(F)cccc1F)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001307162660 1383948532 /nfs/dbraw/zinc/94/85/32/1383948532.db2.gz LHJLTSCLWHBWCI-SNVBAGLBSA-N 0 0 348.309 3.400 10 5 EGBERN CC(=O)N(C)c1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC001307166186 1383948862 /nfs/dbraw/zinc/94/88/62/1383948862.db2.gz KABJLCWQRVFNIU-UHFFFAOYSA-N 0 0 335.310 3.468 10 5 EGBERN COC(=O)c1ccnc(NCc2cc3cc(C)ccc3o2)c1[N+](=O)[O-] ZINC001307167169 1383949192 /nfs/dbraw/zinc/94/91/92/1383949192.db2.gz BNRDMZCORPYRJB-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC001307174335 1383950194 /nfs/dbraw/zinc/95/01/94/1383950194.db2.gz HOKIMHSUHJSERX-ZDUSSCGKSA-N 0 0 330.237 3.297 10 5 EGBERN Cc1cccc(CONC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001168635180 1383953522 /nfs/dbraw/zinc/95/35/22/1383953522.db2.gz ZWCFZUITWCWERW-UHFFFAOYSA-N 0 0 335.747 3.122 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nc2c(s1)CCC2 ZINC001307207842 1383957028 /nfs/dbraw/zinc/95/70/28/1383957028.db2.gz BZRRLTCUGZNGLW-UHFFFAOYSA-N 0 0 347.396 3.247 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H](O)Cc2ccc(F)cc2)ccc2ncccc21 ZINC001307210715 1383957621 /nfs/dbraw/zinc/95/76/21/1383957621.db2.gz WJWGKHYXQYQFLJ-AWEZNQCLSA-N 0 0 341.342 3.298 10 5 EGBERN COC(=O)c1ccccc1CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC001307217931 1383958446 /nfs/dbraw/zinc/95/84/46/1383958446.db2.gz BXINQZHXINXXAX-UHFFFAOYSA-N 0 0 332.331 3.484 10 5 EGBERN CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC001307216102 1383958824 /nfs/dbraw/zinc/95/88/24/1383958824.db2.gz IDWRIJKFOUVWPD-LLVKDONJSA-N 0 0 331.294 3.036 10 5 EGBERN Cc1cc(N[C@H]2CCS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307224239 1383960512 /nfs/dbraw/zinc/96/05/12/1383960512.db2.gz BTYJANUFIIUXLA-JSGCOSHPSA-N 0 0 344.440 3.478 10 5 EGBERN Cn1c2ccccc2c(N2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1=O ZINC001307226215 1383961234 /nfs/dbraw/zinc/96/12/34/1383961234.db2.gz FMYCRYQLCQCUOY-DZGCQCFKSA-N 0 0 341.411 3.462 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](Cc2ccccc2)c2ccccn2)nc1 ZINC001307233491 1383961827 /nfs/dbraw/zinc/96/18/27/1383961827.db2.gz ANXXBHQCRCSVBB-OAHLLOKOSA-N 0 0 335.367 3.218 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ncccc1Br ZINC001307230934 1383961979 /nfs/dbraw/zinc/96/19/79/1383961979.db2.gz AYDLEWWXNFTMCE-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN Cc1ccc2oc(C(=O)Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cc2c1 ZINC001307305298 1383968944 /nfs/dbraw/zinc/96/89/44/1383968944.db2.gz ISJYGEYIWVPSIC-UHFFFAOYSA-N 0 0 346.726 3.347 10 5 EGBERN C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308040085 1384079003 /nfs/dbraw/zinc/07/90/03/1384079003.db2.gz NQTZRJIDVMJKHP-OAHLLOKOSA-N 0 0 341.411 3.179 10 5 EGBERN CCC1(CC)[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC001312347370 1384341685 /nfs/dbraw/zinc/34/16/85/1384341685.db2.gz FDKQEOOZFDRPFI-HZPDHXFCSA-N 0 0 349.431 3.030 10 5 EGBERN C[C@H]1CC(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC001312982963 1384384620 /nfs/dbraw/zinc/38/46/20/1384384620.db2.gz GYLCQYKHEPSAMA-ZIAGYGMSSA-N 0 0 348.447 3.378 10 5 EGBERN O=C(C1=CCCCCC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001313445120 1384424227 /nfs/dbraw/zinc/42/42/27/1384424227.db2.gz OQIOKNXGYMFENQ-UHFFFAOYSA-N 0 0 343.427 3.130 10 5 EGBERN Cc1sccc1CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001316594722 1384463504 /nfs/dbraw/zinc/46/35/04/1384463504.db2.gz OATJGPLFGJUKMD-UHFFFAOYSA-N 0 0 347.440 3.068 10 5 EGBERN C[C@@](CO)(NC(=O)CC1(C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001171454303 1384527817 /nfs/dbraw/zinc/52/78/17/1384527817.db2.gz XYLJNBBAAYUJKO-SFHVURJKSA-N 0 0 334.416 3.279 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(Cl)c(F)cc2N)cc1[N+](=O)[O-] ZINC001171897476 1384674618 /nfs/dbraw/zinc/67/46/18/1384674618.db2.gz HLYRHFOMALIOSZ-UHFFFAOYSA-N 0 0 337.738 3.208 10 5 EGBERN C[C@@H]1CCC(F)(F)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176898974 1385736383 /nfs/dbraw/zinc/73/63/83/1385736383.db2.gz VMXCMIHTXBOYOB-LLVKDONJSA-N 0 0 327.331 3.043 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cscc1Cl ZINC001178013473 1386108848 /nfs/dbraw/zinc/10/88/48/1386108848.db2.gz MMPYUIAEMLWIMW-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN Cn1cnc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc21 ZINC001178832971 1386322540 /nfs/dbraw/zinc/32/25/40/1386322540.db2.gz VPHZKKCVUQNAKO-UHFFFAOYSA-N 0 0 338.367 3.398 10 5 EGBERN CC(C)CNC(=O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001319914677 1386386897 /nfs/dbraw/zinc/38/68/97/1386386897.db2.gz ZJMNZDZVDPNLLF-LJQANCHMSA-N 0 0 341.411 3.046 10 5 EGBERN CC(C)(C)Oc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001179328734 1386452454 /nfs/dbraw/zinc/45/24/54/1386452454.db2.gz FQJYOFSLIYMJBR-UHFFFAOYSA-N 0 0 338.751 3.401 10 5 EGBERN CNc1ccc(C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001179389644 1386472326 /nfs/dbraw/zinc/47/23/26/1386472326.db2.gz OZBCMYQKBWLSHB-DEOSSOPVSA-N 0 0 347.396 3.242 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[C@@H](OC)C2)cc1Cl ZINC001320668799 1386686904 /nfs/dbraw/zinc/68/69/04/1386686904.db2.gz PNVSUUMTBIDCFF-DTWKUNHWSA-N 0 0 328.752 3.014 10 5 EGBERN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1csc2ccccc21 ZINC001180226173 1386738619 /nfs/dbraw/zinc/73/86/19/1386738619.db2.gz NJEWJMTWHBPAPU-VIFPVBQESA-N 0 0 342.380 3.278 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001321056548 1386796505 /nfs/dbraw/zinc/79/65/05/1386796505.db2.gz CFMIMNZOPBPEAD-UHFFFAOYSA-N 0 0 333.735 3.046 10 5 EGBERN Cc1ccc(/C=C/c2nnc(COc3ccccc3[N+](=O)[O-])o2)cn1 ZINC001322398964 1387179331 /nfs/dbraw/zinc/17/93/31/1387179331.db2.gz HHERBAJSTKEBKZ-CMDGGOBGSA-N 0 0 338.323 3.431 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H]3C(F)(F)F)c2c1 ZINC001329290504 1389051228 /nfs/dbraw/zinc/05/12/28/1389051228.db2.gz GFPJZHCUCDHIBW-VIFPVBQESA-N 0 0 332.669 3.332 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCc2nccnc21 ZINC001329587718 1389168425 /nfs/dbraw/zinc/16/84/25/1389168425.db2.gz NOPSVJHDFXEZLR-LPQFERQCSA-N 0 0 339.351 3.409 10 5 EGBERN O=C(CC(C1CC1)C1CC1)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001329907459 1389253885 /nfs/dbraw/zinc/25/38/85/1389253885.db2.gz WTZUVOMGRIFLDG-UHFFFAOYSA-N 0 0 335.331 3.286 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC2(CC2(F)F)C1 ZINC001330078010 1389302159 /nfs/dbraw/zinc/30/21/59/1389302159.db2.gz HGSVGAIPSXEBLT-UHFFFAOYSA-N 0 0 339.298 3.151 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1F ZINC001330549122 1389451826 /nfs/dbraw/zinc/45/18/26/1389451826.db2.gz CGRUZNICXZQMOM-GXTWGEPZSA-N 0 0 326.343 3.408 10 5 EGBERN Cc1nc(N[C@H](Cc2cccnc2)C2CCCC2)ncc1[N+](=O)[O-] ZINC001331961441 1389926787 /nfs/dbraw/zinc/92/67/87/1389926787.db2.gz PQUJDGWEERWGFU-OAHLLOKOSA-N 0 0 327.388 3.302 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC001339585809 1390077494 /nfs/dbraw/zinc/07/74/94/1390077494.db2.gz HBNGMNWIFCOYJQ-KWQFWETISA-N 0 0 331.294 3.049 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2nccs2)C1 ZINC001332732544 1390172579 /nfs/dbraw/zinc/17/25/79/1390172579.db2.gz CFEMIXMYUQRPCP-SNVBAGLBSA-N 0 0 335.360 3.129 10 5 EGBERN CCCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001339862901 1390178228 /nfs/dbraw/zinc/17/82/28/1390178228.db2.gz OGEJVSUPBIVUHJ-UHFFFAOYSA-N 0 0 335.404 3.195 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1NC(=O)c1cccs1 ZINC001344401081 1390788979 /nfs/dbraw/zinc/78/89/79/1390788979.db2.gz ATPHMRNOVRNNRJ-NSHDSACASA-N 0 0 348.380 3.213 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC2(C1)CCOCC2 ZINC001345938543 1390895309 /nfs/dbraw/zinc/89/53/09/1390895309.db2.gz DZKYYACQUZAWOL-UHFFFAOYSA-N 0 0 341.367 3.392 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCc1sc(C)nc1C ZINC001346128886 1390909587 /nfs/dbraw/zinc/90/95/87/1390909587.db2.gz MNAZZLJGIVFFDM-UHFFFAOYSA-N 0 0 336.369 3.076 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2ccc(Br)cc2[N+](=O)[O-])CO1 ZINC001346747896 1390977252 /nfs/dbraw/zinc/97/72/52/1390977252.db2.gz ZMNSVOSYKXBYTF-VIFPVBQESA-N 0 0 344.161 3.082 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001347431591 1391074850 /nfs/dbraw/zinc/07/48/50/1391074850.db2.gz YSZVNJUAAJRDMQ-LLVKDONJSA-N 0 0 340.351 3.022 10 5 EGBERN COc1ccc(NC(=O)NCC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC001347520907 1391086894 /nfs/dbraw/zinc/08/68/94/1391086894.db2.gz HFQSRESUOOBLGP-ZDUSSCGKSA-N 0 0 329.303 3.160 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001347533713 1391088724 /nfs/dbraw/zinc/08/87/24/1391088724.db2.gz CDJYKTMAXGWOFN-HOCLYGCPSA-N 0 0 349.387 3.169 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001347821604 1391129749 /nfs/dbraw/zinc/12/97/49/1391129749.db2.gz HOJMVSXJBYEFMJ-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC001348023871 1391161535 /nfs/dbraw/zinc/16/15/35/1391161535.db2.gz AUBOJNVIMIYLQT-BZUAXINKSA-N 0 0 345.443 3.316 10 5 EGBERN C[C@H](c1nnc(N2CCC[C@H](C3CCC3)C2)n1CC1CC1)[N+](=O)[O-] ZINC001348154967 1391180415 /nfs/dbraw/zinc/18/04/15/1391180415.db2.gz UJTOLOAFXDIMMW-DOMZBBRYSA-N 0 0 333.436 3.042 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001348214580 1391187043 /nfs/dbraw/zinc/18/70/43/1391187043.db2.gz TWTQEROHQFZZKJ-MRXNPFEDSA-N 0 0 343.383 3.155 10 5 EGBERN O=C(OC1CCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001348325904 1391206201 /nfs/dbraw/zinc/20/62/01/1391206201.db2.gz RELAKKSWMVZTPO-UHFFFAOYSA-N 0 0 329.356 3.329 10 5 EGBERN COc1cccc(C(F)(F)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001348438049 1391219256 /nfs/dbraw/zinc/21/92/56/1391219256.db2.gz FBDXLTVYFQXFOR-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC001348467810 1391223850 /nfs/dbraw/zinc/22/38/50/1391223850.db2.gz UBJNTTCTPHNXBY-NSHDSACASA-N 0 0 325.324 3.049 10 5 EGBERN C[C@H](CNC(=O)N1CCC[C@H]1C(F)F)c1ccccc1[N+](=O)[O-] ZINC001348690212 1391253105 /nfs/dbraw/zinc/25/31/05/1391253105.db2.gz VSYSBOHQSHRFPT-MFKMUULPSA-N 0 0 327.331 3.137 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@]2(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC001348729838 1391258127 /nfs/dbraw/zinc/25/81/27/1391258127.db2.gz WKRUQQACCGBABB-IBGZPJMESA-N 0 0 340.379 3.027 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C2SCCS2)cc1 ZINC001349804967 1391369105 /nfs/dbraw/zinc/36/91/05/1391369105.db2.gz DCEROFMYPVJRER-LBPRGKRZSA-N 0 0 327.427 3.377 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001349804965 1391369296 /nfs/dbraw/zinc/36/92/96/1391369296.db2.gz DABAMTVKDAMVMX-NSHDSACASA-N 0 0 338.360 3.085 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC001349805026 1391369359 /nfs/dbraw/zinc/36/93/59/1391369359.db2.gz DWXNAFTWNAFUSR-LBPRGKRZSA-N 0 0 340.351 3.022 10 5 EGBERN Cc1ccc2nc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cn2c1 ZINC001349900526 1391383225 /nfs/dbraw/zinc/38/32/25/1391383225.db2.gz WQYRVAGTZIIULI-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OCCCc1scnc1C ZINC001350388979 1391456893 /nfs/dbraw/zinc/45/68/93/1391456893.db2.gz SDKFULAPSFZWQL-UHFFFAOYSA-N 0 0 336.369 3.158 10 5 EGBERN COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC001350936098 1391563243 /nfs/dbraw/zinc/56/32/43/1391563243.db2.gz WAOSXKLGMCKWDR-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc2cc(Cl)ccn21 ZINC001351311029 1391624801 /nfs/dbraw/zinc/62/48/01/1391624801.db2.gz IUBKBDVROAHZPJ-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN Cc1csc(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001352299549 1391781640 /nfs/dbraw/zinc/78/16/40/1391781640.db2.gz FLKCILJZGAMMRX-UHFFFAOYSA-N 0 0 337.376 3.170 10 5 EGBERN O=C(Cn1ccc2ccc(F)cc21)OCc1ccc([N+](=O)[O-])cc1 ZINC001352763601 1391844948 /nfs/dbraw/zinc/84/49/48/1391844948.db2.gz LXQBKPZDOSRHJD-UHFFFAOYSA-N 0 0 328.299 3.432 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001353043122 1391921027 /nfs/dbraw/zinc/92/10/27/1391921027.db2.gz RGRJSABJNIGDBR-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN O=C(OCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001353226315 1391966167 /nfs/dbraw/zinc/96/61/67/1391966167.db2.gz CDUPWCWPBZLLCY-UHFFFAOYSA-N 0 0 329.308 3.113 10 5 EGBERN Cc1nc(C2(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CCCC2)no1 ZINC001353363000 1391996881 /nfs/dbraw/zinc/99/68/81/1391996881.db2.gz RLCSKWMHEOIYQS-UHFFFAOYSA-N 0 0 344.371 3.102 10 5 EGBERN COC(=O)c1sc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1C ZINC001353721888 1392075836 /nfs/dbraw/zinc/07/58/36/1392075836.db2.gz ABQDCCAPBUTRIY-UHFFFAOYSA-N 0 0 338.316 3.143 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccn2nccc12 ZINC001353859761 1392102902 /nfs/dbraw/zinc/10/29/02/1392102902.db2.gz HIDIHUCQNRHGBO-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(c1ncc(Cl)cc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353901407 1392106938 /nfs/dbraw/zinc/10/69/38/1392106938.db2.gz SFTQXAUXRHMFIV-UHFFFAOYSA-N 0 0 338.150 3.500 10 5 EGBERN COc1ccc2c(c1)OCC(C(=O)N(C)c1ccc([N+](=O)[O-])cc1)=C2 ZINC001353920635 1392108181 /nfs/dbraw/zinc/10/81/81/1392108181.db2.gz ZVVFTZDRSPGWSD-UHFFFAOYSA-N 0 0 340.335 3.042 10 5 EGBERN Cc1cc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)nn1 ZINC001353932086 1392108959 /nfs/dbraw/zinc/10/89/59/1392108959.db2.gz FGICPERJDWVTGG-UHFFFAOYSA-N 0 0 346.412 3.264 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@]1(c2ccccc2)CCCO1 ZINC001355002951 1392184611 /nfs/dbraw/zinc/18/46/11/1392184611.db2.gz CMYALPKALTYGSX-QGZVFWFLSA-N 0 0 330.315 3.378 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2n1 ZINC001355107401 1392193911 /nfs/dbraw/zinc/19/39/11/1392193911.db2.gz MFLGVRUPWXKEDX-CYBMUJFWSA-N 0 0 338.367 3.350 10 5 EGBERN Cc1ccc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001492839746 1396326309 /nfs/dbraw/zinc/32/63/09/1396326309.db2.gz JOHXSTILQJBRNF-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CCN(CCCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001689915574 1404206941 /nfs/dbraw/zinc/20/69/41/1404206941.db2.gz GSHQKXOPVXXDAU-UHFFFAOYSA-N 0 0 347.440 3.298 10 5 EGBERN CCCN(CCNC(=O)c1cocc1C)Cc1ccccc1[N+](=O)[O-] ZINC001691189276 1405128011 /nfs/dbraw/zinc/12/80/11/1405128011.db2.gz VEIRPGDYVKRMQG-UHFFFAOYSA-N 0 0 345.399 3.138 10 5 EGBERN C[C@H]1C[C@@H]1n1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001693584744 1406027123 /nfs/dbraw/zinc/02/71/23/1406027123.db2.gz HNRZKNOYAHLMCR-LRDDRELGSA-N 0 0 341.415 3.324 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC[C@@H]1C ZINC001709745871 1417450069 /nfs/dbraw/zinc/45/00/69/1417450069.db2.gz MVLVLUFXKDBHEX-LBPRGKRZSA-N 0 0 347.444 3.205 10 5 EGBERN CCN(CCNC(=O)CC(C)=C(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001713490262 1418188106 /nfs/dbraw/zinc/18/81/06/1418188106.db2.gz ZKPRZWFUSLTFNN-UHFFFAOYSA-N 0 0 339.461 3.341 10 5 EGBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC001717946376 1421711215 /nfs/dbraw/zinc/71/12/15/1421711215.db2.gz XBQKBLAKPZWNBY-UHFFFAOYSA-N 0 0 345.399 3.170 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1[C@H]1C[C@@H]1C ZINC001751887209 1440125515 /nfs/dbraw/zinc/12/55/15/1440125515.db2.gz BZIYKEFJLUCHAC-LRDDRELGSA-N 0 0 329.404 3.491 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1C[C@H]1C ZINC001751887494 1440125620 /nfs/dbraw/zinc/12/56/20/1440125620.db2.gz JVEWKRVSXSRFHF-IUODEOHRSA-N 0 0 341.415 3.320 10 5 EGBERN CN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001768755736 1441408430 /nfs/dbraw/zinc/40/84/30/1441408430.db2.gz GKHIIFMGLRGWHQ-DZGCQCFKSA-N 0 0 345.378 3.230 10 5 EGBERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1csc([N+](=O)[O-])c1 ZINC000174996945 231363260 /nfs/dbraw/zinc/36/32/60/231363260.db2.gz SUNZRMUNALSZFJ-UHFFFAOYSA-N 0 0 348.384 3.116 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000176937853 231763832 /nfs/dbraw/zinc/76/38/32/231763832.db2.gz TZMHCHQSUGQWJB-ZWNOBZJWSA-N 0 0 327.427 3.356 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000178567783 232260092 /nfs/dbraw/zinc/26/00/92/232260092.db2.gz ZWAIHRYRYAZQEG-GFCCVEGCSA-N 0 0 330.306 3.247 10 5 EGBERN C[C@H]1CC(=O)N(c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000102603473 219212981 /nfs/dbraw/zinc/21/29/81/219212981.db2.gz GEAGUMKUCGPBLX-NSHDSACASA-N 0 0 331.372 3.239 10 5 EGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000408110656 290887133 /nfs/dbraw/zinc/88/71/33/290887133.db2.gz TUFZUYRZIPZFKL-FHZGZLOMSA-N 0 0 337.228 3.106 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000371534531 168622746 /nfs/dbraw/zinc/62/27/46/168622746.db2.gz GMDRZRQCLQGWKR-LBPRGKRZSA-N 0 0 346.364 3.362 10 5 EGBERN CN(C)c1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040608654 213358304 /nfs/dbraw/zinc/35/83/04/213358304.db2.gz JCYLDEHIOGJTND-UHFFFAOYSA-N 0 0 339.149 3.006 10 5 EGBERN Cn1nccc1C1=CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000343221853 282859248 /nfs/dbraw/zinc/85/92/48/282859248.db2.gz DLVDLELUHMFGHL-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000267262732 290988391 /nfs/dbraw/zinc/98/83/91/290988391.db2.gz KTJHUJFTULSGDV-AAEUAGOBSA-N 0 0 344.396 3.270 10 5 EGBERN Cc1sc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000184173536 235323399 /nfs/dbraw/zinc/32/33/99/235323399.db2.gz VGGNMOXETSKKCV-JTQLQIEISA-N 0 0 336.373 3.105 10 5 EGBERN CCCCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984367 213183633 /nfs/dbraw/zinc/18/36/33/213183633.db2.gz MWCUZZHERRIERJ-JTQLQIEISA-N 0 0 334.825 3.495 10 5 EGBERN CC(C)C[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984361 213183187 /nfs/dbraw/zinc/18/31/87/213183187.db2.gz ZZSMWXFJIBURRL-JTQLQIEISA-N 0 0 334.825 3.303 10 5 EGBERN CNC(=O)C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000361643952 283331984 /nfs/dbraw/zinc/33/19/84/283331984.db2.gz OEDMETPJEBYDQC-OAHLLOKOSA-N 0 0 347.802 3.215 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnc2ccc(F)cc21 ZINC000032608181 212817723 /nfs/dbraw/zinc/81/77/23/212817723.db2.gz VTKGSDXWMPSUES-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN Cc1nn(C)c(C(=O)N(Cc2ccoc2)C2CCCCC2)c1[N+](=O)[O-] ZINC000129344011 223047204 /nfs/dbraw/zinc/04/72/04/223047204.db2.gz BNDTVDSGSRHNKB-UHFFFAOYSA-N 0 0 346.387 3.205 10 5 EGBERN C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000082376 209408120 /nfs/dbraw/zinc/40/81/20/209408120.db2.gz ZCIHGXKYBIXNHY-SJCJKPOMSA-N 0 0 328.324 3.086 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000108741455 219917032 /nfs/dbraw/zinc/91/70/32/219917032.db2.gz CPGNELLPFVJDBO-LLVKDONJSA-N 0 0 332.381 3.261 10 5 EGBERN O=C1[C@@H](N2CC3(CC3)c3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360494935 241923151 /nfs/dbraw/zinc/92/31/51/241923151.db2.gz IGZZSWKMXBQMCD-SFHVURJKSA-N 0 0 349.390 3.252 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CCCCO2)C1 ZINC000369693782 242015181 /nfs/dbraw/zinc/01/51/81/242015181.db2.gz VIAKKCPKXCAVRA-INIZCTEOSA-N 0 0 338.791 3.424 10 5 EGBERN Cc1sc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000134571339 223509311 /nfs/dbraw/zinc/50/93/11/223509311.db2.gz RZEIEWYIOFPQDZ-YPMHNXCESA-N 0 0 326.418 3.026 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1csc(C(F)(F)F)n1 ZINC000341150149 284317182 /nfs/dbraw/zinc/31/71/82/284317182.db2.gz BZXLSSQKQLUEAA-UHFFFAOYSA-N 0 0 335.238 3.462 10 5 EGBERN Cc1sc(C(=O)NCc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000151230522 223796873 /nfs/dbraw/zinc/79/68/73/223796873.db2.gz FTAHSBYZSDZRQH-UHFFFAOYSA-N 0 0 325.415 3.475 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000376160424 168874756 /nfs/dbraw/zinc/87/47/56/168874756.db2.gz NPPPVTHCHWWGGE-NUJGCVRESA-N 0 0 337.379 3.398 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000377578900 169044644 /nfs/dbraw/zinc/04/46/44/169044644.db2.gz COMVTHPAKXZYJM-UHFFFAOYSA-N 0 0 336.388 3.388 10 5 EGBERN Cc1cc(C(=O)N2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000378258396 169092315 /nfs/dbraw/zinc/09/23/15/169092315.db2.gz HPJOYOIWECCNAI-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1cccc([N+](=O)[O-])c1[O-] ZINC000378527952 169135613 /nfs/dbraw/zinc/13/56/13/169135613.db2.gz XUSUZAXYOZRFDR-UHFFFAOYSA-N 0 0 339.351 3.031 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC=C(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000378602402 169145108 /nfs/dbraw/zinc/14/51/08/169145108.db2.gz ACRJYNIWGCEXKW-UHFFFAOYSA-N 0 0 340.383 3.118 10 5 EGBERN CCOC(=O)CC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089689880 217827939 /nfs/dbraw/zinc/82/79/39/217827939.db2.gz XBIXPKIYMNKFGM-VIFPVBQESA-N 0 0 343.767 3.102 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012798639 211460826 /nfs/dbraw/zinc/46/08/26/211460826.db2.gz IYXSZSQZMJSJTQ-HNNXBMFYSA-N 0 0 348.742 3.199 10 5 EGBERN Cc1cc(NC(=O)CSc2nccn2C2CC2)c([N+](=O)[O-])cc1C ZINC000011891777 211264353 /nfs/dbraw/zinc/26/43/53/211264353.db2.gz BAJUXIQRXOQTCB-UHFFFAOYSA-N 0 0 346.412 3.474 10 5 EGBERN Cc1nc(N[C@H](CO)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000092701351 218159072 /nfs/dbraw/zinc/15/90/72/218159072.db2.gz YYHDJDHPGLZJMM-GFCCVEGCSA-N 0 0 325.727 3.236 10 5 EGBERN COC(=O)/C=C/c1ccc(NCC2(C)CCOCC2)c([N+](=O)[O-])c1 ZINC000267823170 251383838 /nfs/dbraw/zinc/38/38/38/251383838.db2.gz SHOPYKPIIDABDI-GQCTYLIASA-N 0 0 334.372 3.010 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153116103 224060901 /nfs/dbraw/zinc/06/09/01/224060901.db2.gz INOSMYAVKUFZKW-LLVKDONJSA-N 0 0 330.388 3.346 10 5 EGBERN COCCNc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000191283735 533034606 /nfs/dbraw/zinc/03/46/06/533034606.db2.gz FZPNZKOWIINMHV-UHFFFAOYSA-N 0 0 335.385 3.275 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCc2c1cccc2Br ZINC000340696240 285081192 /nfs/dbraw/zinc/08/11/92/285081192.db2.gz NAVNJUUVFQWGIP-GFCCVEGCSA-N 0 0 334.173 3.274 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(Nc3ccc(N4CCCC4)nc3)c21 ZINC000357301327 285159418 /nfs/dbraw/zinc/15/94/18/285159418.db2.gz IMPKUWXQUNUATI-UHFFFAOYSA-N 0 0 336.355 3.277 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](CCO)c1ccccc1 ZINC000269096416 255528355 /nfs/dbraw/zinc/52/83/55/255528355.db2.gz NCNGFFALZHIKDF-QGZVFWFLSA-N 0 0 328.368 3.099 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1cn[nH]c1 ZINC000117805398 221091042 /nfs/dbraw/zinc/09/10/42/221091042.db2.gz NCAVACRFXYQEDP-HNNXBMFYSA-N 0 0 348.790 3.268 10 5 EGBERN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1C ZINC000187804390 533273567 /nfs/dbraw/zinc/27/35/67/533273567.db2.gz JMNCSWAMMRFLIY-RNCFNFMXSA-N 0 0 346.305 3.111 10 5 EGBERN CC1CCN(c2ncnc(NCc3ccc(F)cc3)c2[N+](=O)[O-])CC1 ZINC000040612997 132404324 /nfs/dbraw/zinc/40/43/24/132404324.db2.gz RAJTYCIGAZURFU-UHFFFAOYSA-N 0 0 345.378 3.372 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1CCCO ZINC000052761550 296497767 /nfs/dbraw/zinc/49/77/67/296497767.db2.gz MFQOJQPGPCWPHE-LLVKDONJSA-N 0 0 329.194 3.099 10 5 EGBERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000263488127 141052303 /nfs/dbraw/zinc/05/23/03/141052303.db2.gz HWBFBTZEQXBEKE-CQSZACIVSA-N 0 0 334.397 3.222 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338139167 141101112 /nfs/dbraw/zinc/10/11/12/141101112.db2.gz LKRFVKUCQSZYPI-UHFFFAOYSA-N 0 0 343.383 3.092 10 5 EGBERN O=C(c1cccc2nccnc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000347896702 141211657 /nfs/dbraw/zinc/21/16/57/141211657.db2.gz GICIDFONTGTMHF-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc(C)n1 ZINC000347934396 141220513 /nfs/dbraw/zinc/22/05/13/141220513.db2.gz YDPRFSACOIJMCI-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN COc1cccc(C[C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000353134588 141288211 /nfs/dbraw/zinc/28/82/11/141288211.db2.gz CWJMELWBFMQZFA-JTQLQIEISA-N 0 0 332.385 3.356 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2ccccn2)CC1 ZINC000171613611 144007327 /nfs/dbraw/zinc/00/73/27/144007327.db2.gz MYJXMEWWUVVWIN-UHFFFAOYSA-N 0 0 331.397 3.146 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC(Cc2ccccn2)CC1 ZINC000171616165 144007555 /nfs/dbraw/zinc/00/75/55/144007555.db2.gz KTSABQBUVYTTOU-UHFFFAOYSA-N 0 0 331.397 3.146 10 5 EGBERN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccccc1 ZINC000185453323 144112874 /nfs/dbraw/zinc/11/28/74/144112874.db2.gz YNSLGYFFRJPWSS-QGZVFWFLSA-N 0 0 337.335 3.469 10 5 EGBERN CSCc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000187690382 144163130 /nfs/dbraw/zinc/16/31/30/144163130.db2.gz LLTONSFOIYZRBN-UHFFFAOYSA-N 0 0 331.397 3.091 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187787606 144164296 /nfs/dbraw/zinc/16/42/96/144164296.db2.gz WDJQPZGTXZAQGJ-JKSUJKDBSA-N 0 0 339.395 3.439 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188164091 144169800 /nfs/dbraw/zinc/16/98/00/144169800.db2.gz DBVJXEYZADCVPP-VMGRFDJRSA-N 0 0 332.425 3.425 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccsc2)c2ccccc2)n1 ZINC000344609309 144198087 /nfs/dbraw/zinc/19/80/87/144198087.db2.gz UXYFCSDDAXKRLD-UHFFFAOYSA-N 0 0 342.380 3.237 10 5 EGBERN Cc1nc(-c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)cs1 ZINC000344640463 144203654 /nfs/dbraw/zinc/20/36/54/144203654.db2.gz QUIQVAOPLFOIIE-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000344658036 144206670 /nfs/dbraw/zinc/20/66/70/144206670.db2.gz GKMHOAHUBRCGBW-UHFFFAOYSA-N 0 0 348.668 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000351868016 144317767 /nfs/dbraw/zinc/31/77/67/144317767.db2.gz HCTYZEZVMAXONY-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000361724353 144355646 /nfs/dbraw/zinc/35/56/46/144355646.db2.gz BSZQIOUALOPYKE-SCLBCKFNSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000364021945 144384803 /nfs/dbraw/zinc/38/48/03/144384803.db2.gz XGRMZTYYLMSQNB-YOEHRIQHSA-N 0 0 341.367 3.494 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000364305808 144398708 /nfs/dbraw/zinc/39/87/08/144398708.db2.gz STAXFVKGMRHNIT-LJQANCHMSA-N 0 0 338.363 3.257 10 5 EGBERN C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000341268880 155221167 /nfs/dbraw/zinc/22/11/67/155221167.db2.gz VZODFGRABYCDBE-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccco2)on1)c1ccccc1[N+](=O)[O-] ZINC000341299058 155232929 /nfs/dbraw/zinc/23/29/29/155232929.db2.gz VWWGIIUSDPPQST-SNVBAGLBSA-N 0 0 327.296 3.334 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc(SC)cn2)cc1[N+](=O)[O-] ZINC000116239792 152052437 /nfs/dbraw/zinc/05/24/37/152052437.db2.gz BJYATYULQVXINZ-UHFFFAOYSA-N 0 0 333.369 3.363 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(Cn2cccn2)CC1 ZINC000116278497 152055844 /nfs/dbraw/zinc/05/58/44/152055844.db2.gz YDORFTQLZXAUOV-UHFFFAOYSA-N 0 0 334.807 3.357 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116352052 152056862 /nfs/dbraw/zinc/05/68/62/152056862.db2.gz KMCIDXMHRBYQRU-ZDUSSCGKSA-N 0 0 336.369 3.022 10 5 EGBERN COc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000117578351 152104991 /nfs/dbraw/zinc/10/49/91/152104991.db2.gz ZMRCSJIMUGOYDK-QFYYESIMSA-N 0 0 328.324 3.107 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000120283547 152265901 /nfs/dbraw/zinc/26/59/01/152265901.db2.gz TWUWYBZWAIFSLM-UHFFFAOYSA-N 0 0 332.400 3.469 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000120442088 152275769 /nfs/dbraw/zinc/27/57/69/152275769.db2.gz XNYRHRIVKCDXBB-YGRLFVJLSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(COc2ccc(F)cc2)no1 ZINC000121508603 152354898 /nfs/dbraw/zinc/35/48/98/152354898.db2.gz LRXHWCNDARNCGT-UHFFFAOYSA-N 0 0 330.275 3.066 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000156142333 152657829 /nfs/dbraw/zinc/65/78/29/152657829.db2.gz DKIFMRRGGSJKFA-VIFPVBQESA-N 0 0 336.373 3.251 10 5 EGBERN CC[C@H](Nc1ccc(C(=O)OC)c(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000186140116 152999980 /nfs/dbraw/zinc/99/99/80/152999980.db2.gz OPZOBKSRCRRVAA-AWEZNQCLSA-N 0 0 345.355 3.348 10 5 EGBERN COc1cc(CN[C@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1O ZINC000188953630 153041325 /nfs/dbraw/zinc/04/13/25/153041325.db2.gz KHGVLTFAAQVJFB-AWEZNQCLSA-N 0 0 344.367 3.231 10 5 EGBERN CC(=O)c1ccc(N2CCOC[C@H]2c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000189138617 153054205 /nfs/dbraw/zinc/05/42/05/153054205.db2.gz KLUYGIOFAUNXAU-HNNXBMFYSA-N 0 0 347.396 3.140 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(C2CC2)cc1 ZINC000191181283 153179060 /nfs/dbraw/zinc/17/90/60/153179060.db2.gz WGFOPLSGZCFHHZ-UHFFFAOYSA-N 0 0 326.352 3.167 10 5 EGBERN COc1cc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc([N+](=O)[O-])c1C ZINC000191928349 153231087 /nfs/dbraw/zinc/23/10/87/153231087.db2.gz FXFPLVSUJDSRPV-UHFFFAOYSA-N 0 0 342.355 3.140 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cn1 ZINC000341634840 155392754 /nfs/dbraw/zinc/39/27/54/155392754.db2.gz IWVWVDPTDZDJJT-UHFFFAOYSA-N 0 0 345.355 3.428 10 5 EGBERN COC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000341633073 155392776 /nfs/dbraw/zinc/39/27/76/155392776.db2.gz GIAQFUJUZNTLIA-OAHLLOKOSA-N 0 0 333.319 3.243 10 5 EGBERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000261597667 153683078 /nfs/dbraw/zinc/68/30/78/153683078.db2.gz AELCAJOMCYXFDI-LBPRGKRZSA-N 0 0 325.328 3.203 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342881014 286396986 /nfs/dbraw/zinc/39/69/86/286396986.db2.gz KJSRPCAPOVYXHG-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000336936741 154242843 /nfs/dbraw/zinc/24/28/43/154242843.db2.gz VAOUBAKXJZYPIS-GOSISDBHSA-N 0 0 343.358 3.077 10 5 EGBERN C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000337628127 154456166 /nfs/dbraw/zinc/45/61/66/154456166.db2.gz LWLMMOAYYNMQET-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN CCc1nc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cs1 ZINC000341037304 155127454 /nfs/dbraw/zinc/12/74/54/155127454.db2.gz KNYQXXGSIZQBKS-UHFFFAOYSA-N 0 0 330.369 3.025 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912406 155574274 /nfs/dbraw/zinc/57/42/74/155574274.db2.gz PAQOJZUPGQGVOQ-KRWDZBQOSA-N 0 0 336.351 3.352 10 5 EGBERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000345110804 155937410 /nfs/dbraw/zinc/93/74/10/155937410.db2.gz OUTUEKBYXYMVLR-LLVKDONJSA-N 0 0 349.215 3.235 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccccc3OC3CC3)n2)nc1 ZINC000346864240 156168474 /nfs/dbraw/zinc/16/84/74/156168474.db2.gz FRDDQYDECRITSR-UHFFFAOYSA-N 0 0 338.323 3.172 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOc1ccc(F)cc1 ZINC000348883327 156273592 /nfs/dbraw/zinc/27/35/92/156273592.db2.gz BXIXLJWGCFPZFO-LBPRGKRZSA-N 0 0 344.342 3.481 10 5 EGBERN CC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000348906099 156283486 /nfs/dbraw/zinc/28/34/86/156283486.db2.gz FNOBJRBZCMTIGA-SECBINFHSA-N 0 0 330.365 3.450 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000348921159 156288227 /nfs/dbraw/zinc/28/82/27/156288227.db2.gz RMOHXNJNPLBXIM-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccccc1F ZINC000349141784 156365121 /nfs/dbraw/zinc/36/51/21/156365121.db2.gz FTTIKRMYSQISIO-UHFFFAOYSA-N 0 0 340.314 3.236 10 5 EGBERN CCCc1[nH]nc(C(=O)Nc2ccc(C3CCC3)cn2)c1[N+](=O)[O-] ZINC000360075170 156906104 /nfs/dbraw/zinc/90/61/04/156906104.db2.gz NCGOJHHFTXYEPC-UHFFFAOYSA-N 0 0 329.360 3.185 10 5 EGBERN CCOCCC1(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCC1 ZINC000360135190 156929090 /nfs/dbraw/zinc/92/90/90/156929090.db2.gz PJCHWYASPHVMGP-UHFFFAOYSA-N 0 0 336.388 3.390 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000105850392 162059871 /nfs/dbraw/zinc/05/98/71/162059871.db2.gz NQABYMJDBCMIGO-INIZCTEOSA-N 0 0 342.399 3.231 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC000112007264 162159191 /nfs/dbraw/zinc/15/91/91/162159191.db2.gz DENWTTFFWJHFHA-ZDUSSCGKSA-N 0 0 328.368 3.098 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114511505 162237098 /nfs/dbraw/zinc/23/70/98/162237098.db2.gz DFDNRLJFACKBAU-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000126338699 162300347 /nfs/dbraw/zinc/30/03/47/162300347.db2.gz FKDWAQSCTANDAC-SKDRFNHKSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1cc(=O)n(Cc2ncc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000128717637 162332175 /nfs/dbraw/zinc/33/21/75/162332175.db2.gz RNXAJIKDHQXZGX-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN CCc1cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1C ZINC000180758756 162760084 /nfs/dbraw/zinc/76/00/84/162760084.db2.gz SKEWMZMYYMDUPW-UHFFFAOYSA-N 0 0 330.388 3.308 10 5 EGBERN Cn1c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C1CCC1 ZINC000181511820 162793490 /nfs/dbraw/zinc/79/34/90/162793490.db2.gz PMEMVSQXFWVLEP-UHFFFAOYSA-N 0 0 341.415 3.155 10 5 EGBERN CCOc1ccc(C(=O)NCCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183407862 162828490 /nfs/dbraw/zinc/82/84/90/162828490.db2.gz SXIOYOGVKTVNKV-CQSZACIVSA-N 0 0 336.388 3.073 10 5 EGBERN COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000337138370 163140898 /nfs/dbraw/zinc/14/08/98/163140898.db2.gz OZRFDOLFBBNFTH-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CC(C)(C(=O)NCC1(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000354324902 166003388 /nfs/dbraw/zinc/00/33/88/166003388.db2.gz RURTVYXJCCSLNA-UHFFFAOYSA-N 0 0 330.306 3.331 10 5 EGBERN COc1ncc(COc2ccc([N+](=O)[O-])c3ccccc23)c(C)n1 ZINC000337226108 163170591 /nfs/dbraw/zinc/17/05/91/163170591.db2.gz OZXLVTRZCZXJNZ-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN COC[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000342360102 163857283 /nfs/dbraw/zinc/85/72/83/163857283.db2.gz NKEODRSFXXUCGK-LBPRGKRZSA-N 0 0 330.369 3.399 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2cccc(F)c21 ZINC000342710892 163947375 /nfs/dbraw/zinc/94/73/75/163947375.db2.gz PPPZPIBNFXKTMW-UHFFFAOYSA-N 0 0 336.269 3.144 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](c1cccnc1)C1CC1 ZINC000343644638 164002214 /nfs/dbraw/zinc/00/22/14/164002214.db2.gz CJWQJMAIHLGJIQ-KRWDZBQOSA-N 0 0 347.321 3.078 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(CC(F)F)CC1CCC1 ZINC000343651782 164003749 /nfs/dbraw/zinc/00/37/49/164003749.db2.gz CFPJSPHTHFDJEJ-UHFFFAOYSA-N 0 0 348.296 3.309 10 5 EGBERN CN1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767673 164030028 /nfs/dbraw/zinc/03/00/28/164030028.db2.gz OMIIUNDNDWDCFX-QGZVFWFLSA-N 0 0 341.367 3.420 10 5 EGBERN COc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c32)cc1[N+](=O)[O-] ZINC000343820314 164042651 /nfs/dbraw/zinc/04/26/51/164042651.db2.gz HVZXEAWEMMKYMV-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN COc1ccccc1O[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343908177 164063376 /nfs/dbraw/zinc/06/33/76/164063376.db2.gz ICWCHDXHMKRTPK-CQSZACIVSA-N 0 0 329.356 3.046 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000344064054 164094686 /nfs/dbraw/zinc/09/46/86/164094686.db2.gz AVDWROCHZJMANU-UHFFFAOYSA-N 0 0 346.770 3.246 10 5 EGBERN CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000344203381 164125599 /nfs/dbraw/zinc/12/55/99/164125599.db2.gz XCQJCIYLLFSRDR-OAHLLOKOSA-N 0 0 341.367 3.160 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)C(F)(F)F ZINC000344208112 164127567 /nfs/dbraw/zinc/12/75/67/164127567.db2.gz JMICHDDUIODTQL-ZETCQYMHSA-N 0 0 340.248 3.215 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000344241496 164135120 /nfs/dbraw/zinc/13/51/20/164135120.db2.gz WDNSABZKRZZCLO-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN Cc1c(Cl)cccc1NC(=O)CCNc1ccc([N+](=O)[O-])nc1 ZINC000344443877 164180054 /nfs/dbraw/zinc/18/00/54/164180054.db2.gz VQATWTGISMTWFZ-UHFFFAOYSA-N 0 0 334.763 3.392 10 5 EGBERN Cc1oc(C2CC2)nc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000345534541 164212275 /nfs/dbraw/zinc/21/22/75/164212275.db2.gz YZMUKCVDWUDLGV-UHFFFAOYSA-N 0 0 326.312 3.409 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(C(F)(F)C3CCOCC3)n2)c1 ZINC000345688699 164244093 /nfs/dbraw/zinc/24/40/93/164244093.db2.gz GRPPXGVSHMZOPY-UHFFFAOYSA-N 0 0 325.271 3.163 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NCCC2(F)CCC2)cc1SC ZINC000345839522 164276944 /nfs/dbraw/zinc/27/69/44/164276944.db2.gz LMYMOUWMTHZLSS-UHFFFAOYSA-N 0 0 342.392 3.337 10 5 EGBERN C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1cccnc1 ZINC000345989106 164311720 /nfs/dbraw/zinc/31/17/20/164311720.db2.gz JTSYMTFNSODIOC-CHWSQXEVSA-N 0 0 325.368 3.461 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1=O ZINC000346068161 164329723 /nfs/dbraw/zinc/32/97/23/164329723.db2.gz CMBYBOJKWQJYAD-QMMMGPOBSA-N 0 0 345.277 3.056 10 5 EGBERN C[C@H]1[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)[C@@H]1c1ccccc1 ZINC000346883734 164435537 /nfs/dbraw/zinc/43/55/37/164435537.db2.gz YZOIHNAVMRAAIB-ZTFRIQLXSA-N 0 0 336.351 3.481 10 5 EGBERN COc1c(C(=O)N(C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000354985259 166080065 /nfs/dbraw/zinc/08/00/65/166080065.db2.gz YPUGYRUVMCHMBK-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351650498 165114850 /nfs/dbraw/zinc/11/48/50/165114850.db2.gz OZWQBLASEQYDLT-SECBINFHSA-N 0 0 347.302 3.345 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1F ZINC000352027302 165199160 /nfs/dbraw/zinc/19/91/60/165199160.db2.gz OGSQFQTXTWXDNS-UHFFFAOYSA-N 0 0 333.319 3.183 10 5 EGBERN COCCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352036210 165202219 /nfs/dbraw/zinc/20/22/19/165202219.db2.gz XVRQBEDHHZDYDO-UHFFFAOYSA-N 0 0 332.356 3.241 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1F ZINC000352174455 165268569 /nfs/dbraw/zinc/26/85/69/165268569.db2.gz NGGCHWXYULQVNW-SNVBAGLBSA-N 0 0 346.314 3.262 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000352260610 165315854 /nfs/dbraw/zinc/31/58/54/165315854.db2.gz ZGAKTYCBROAZFH-QGZVFWFLSA-N 0 0 349.387 3.028 10 5 EGBERN CC(C)c1ccccc1OC[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000352432025 165399224 /nfs/dbraw/zinc/39/92/24/165399224.db2.gz QDTNALWXKVIHOG-CQSZACIVSA-N 0 0 345.399 3.232 10 5 EGBERN CCOC(=O)C1(CC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000352996819 165579218 /nfs/dbraw/zinc/57/92/18/165579218.db2.gz ZPISETULCOBJST-OAHLLOKOSA-N 0 0 348.399 3.286 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000353552175 165802415 /nfs/dbraw/zinc/80/24/15/165802415.db2.gz XKYOZWOLUCVGNY-ZDUSSCGKSA-N 0 0 336.417 3.215 10 5 EGBERN COCCNC(=O)c1cccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000353845001 165904574 /nfs/dbraw/zinc/90/45/74/165904574.db2.gz LSLTXNTVMLZYNU-ZDUSSCGKSA-N 0 0 343.383 3.144 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000353939693 165926675 /nfs/dbraw/zinc/92/66/75/165926675.db2.gz DLTLXHGACCXXTD-UHFFFAOYSA-N 0 0 347.415 3.222 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1F ZINC000355386529 166180679 /nfs/dbraw/zinc/18/06/79/166180679.db2.gz RBLLTCXCYHVCAI-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000355398552 166184624 /nfs/dbraw/zinc/18/46/24/166184624.db2.gz ZSNSRROHBXQHFH-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN Cc1nn(C)c(-c2nc(CSc3ccc(F)cc3)no2)c1[N+](=O)[O-] ZINC000355503369 166223597 /nfs/dbraw/zinc/22/35/97/166223597.db2.gz DIXPLSRORWOJSV-UHFFFAOYSA-N 0 0 349.347 3.118 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc3nccnc32)n1 ZINC000355679951 166281863 /nfs/dbraw/zinc/28/18/63/166281863.db2.gz URAMNVMHONSQCE-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN Cc1nc(C2CC2)oc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355686936 166283457 /nfs/dbraw/zinc/28/34/57/166283457.db2.gz FMSSPNBTWVNENH-UHFFFAOYSA-N 0 0 326.312 3.409 10 5 EGBERN CCC(CC)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000355828016 166321197 /nfs/dbraw/zinc/32/11/97/166321197.db2.gz CEYAJFSUAVVYEB-HNNXBMFYSA-N 0 0 330.388 3.236 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000355944072 166355079 /nfs/dbraw/zinc/35/50/79/166355079.db2.gz QOOFNKVFIHTEQT-JHJVBQTASA-N 0 0 348.399 3.278 10 5 EGBERN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000357279878 166633731 /nfs/dbraw/zinc/63/37/31/166633731.db2.gz BGZHZKAQWABBOS-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN COC1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CCC1 ZINC000357561954 166712313 /nfs/dbraw/zinc/71/23/13/166712313.db2.gz FDVNDQVTNCFZMI-UHFFFAOYSA-N 0 0 341.270 3.272 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358879755 166993129 /nfs/dbraw/zinc/99/31/29/166993129.db2.gz CQGFPJJJOLQRSX-QWHCGFSZSA-N 0 0 348.305 3.482 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000358909339 167002301 /nfs/dbraw/zinc/00/23/01/167002301.db2.gz WWLCZDZKQFDMMP-DLBZAZTESA-N 0 0 340.379 3.066 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000358924591 167006572 /nfs/dbraw/zinc/00/65/72/167006572.db2.gz COPNXHRKUWSTKA-SNVBAGLBSA-N 0 0 333.369 3.123 10 5 EGBERN CCCNC(=O)c1cccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359079479 167060854 /nfs/dbraw/zinc/06/08/54/167060854.db2.gz BFBFTXXBQCMNKZ-UHFFFAOYSA-N 0 0 342.399 3.359 10 5 EGBERN COc1ccc2c(c1)OC[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000359081531 167061441 /nfs/dbraw/zinc/06/14/41/167061441.db2.gz JRPTWJJXXSYGSV-ZDUSSCGKSA-N 0 0 329.356 3.031 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000359084947 167062629 /nfs/dbraw/zinc/06/26/29/167062629.db2.gz RPTZEVOODMCQOU-AWEZNQCLSA-N 0 0 333.363 3.009 10 5 EGBERN COc1ccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])cc1OC ZINC000359086006 167063190 /nfs/dbraw/zinc/06/31/90/167063190.db2.gz USELLTSOZYBNFX-UHFFFAOYSA-N 0 0 331.372 3.278 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359190863 167091155 /nfs/dbraw/zinc/09/11/55/167091155.db2.gz FENQJYYUOAEQFI-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN COc1ccc(NC(=O)CN2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561194 167194137 /nfs/dbraw/zinc/19/41/37/167194137.db2.gz QVANPTBQJIEHDI-UGSOOPFHSA-N 0 0 347.415 3.054 10 5 EGBERN Cc1c(CNCc2ncc(Br)s2)cccc1[N+](=O)[O-] ZINC000359792730 167233624 /nfs/dbraw/zinc/23/36/24/167233624.db2.gz AHUHGFXIVQYQBY-UHFFFAOYSA-N 0 0 342.218 3.412 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000360523810 167348305 /nfs/dbraw/zinc/34/83/05/167348305.db2.gz CCCHTJOVEPYOJW-IRXDYDNUSA-N 0 0 340.379 3.332 10 5 EGBERN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Cl ZINC000360612082 167369308 /nfs/dbraw/zinc/36/93/08/167369308.db2.gz OYGNCFPMFWBHAD-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@H]1C ZINC000361063613 167505169 /nfs/dbraw/zinc/50/51/69/167505169.db2.gz SYEHMZKTFLMPDC-GFCCVEGCSA-N 0 0 341.367 3.119 10 5 EGBERN CCOC(=O)c1nnc(Sc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000362679695 167821132 /nfs/dbraw/zinc/82/11/32/167821132.db2.gz GHSRSNKTPDINMI-UHFFFAOYSA-N 0 0 325.371 3.083 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CC(F)(F)C[C@H]3CO)o2)c1 ZINC000364648939 167967962 /nfs/dbraw/zinc/96/79/62/167967962.db2.gz DPCXFVHCJRYKJD-ZDUSSCGKSA-N 0 0 338.310 3.057 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000366191670 168092359 /nfs/dbraw/zinc/09/23/59/168092359.db2.gz NFURQQYHFFRYHJ-GVDBMIGSSA-N 0 0 325.368 3.361 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@](CO)(c3ccccc3)C2)c(Cl)c1 ZINC000367175001 168189563 /nfs/dbraw/zinc/18/95/63/168189563.db2.gz YJQKLYDWBPBNQM-QGZVFWFLSA-N 0 0 347.802 3.174 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000367562411 168242455 /nfs/dbraw/zinc/24/24/55/168242455.db2.gz HRPFLYQDJMCRSG-QFBILLFUSA-N 0 0 340.379 3.031 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000368078847 168307631 /nfs/dbraw/zinc/30/76/31/168307631.db2.gz KWDGBNRBKBLLPC-AWEZNQCLSA-N 0 0 326.356 3.086 10 5 EGBERN C[C@@H]1CCC2=C(C1)S[C@@H]1N=C(c3ccc([N+](=O)[O-])cc3)NC(=O)[C@H]21 ZINC000023466529 287247127 /nfs/dbraw/zinc/24/71/27/287247127.db2.gz TVRAEWKKMVAULM-ZVTRXGDXSA-N 0 0 343.408 3.234 10 5 EGBERN CC[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000123993272 222361581 /nfs/dbraw/zinc/36/15/81/222361581.db2.gz NPBYKIWVFCWEHD-ROUUACIJSA-N 0 0 340.379 3.476 10 5 EGBERN C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124036637 222366719 /nfs/dbraw/zinc/36/67/19/222366719.db2.gz WDINOYMDFFCWJW-NEPJUHHUSA-N 0 0 326.418 3.237 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407965895 287570040 /nfs/dbraw/zinc/57/00/40/287570040.db2.gz MFXCSRVNMHRGAX-ZIAGYGMSSA-N 0 0 331.416 3.313 10 5 EGBERN Cc1c(C(=O)NCc2ccn(C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000156561306 264827992 /nfs/dbraw/zinc/82/79/92/264827992.db2.gz FRIJLWHNJPLNTQ-UHFFFAOYSA-N 0 0 328.372 3.145 10 5 EGBERN C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccnc1 ZINC000174067994 265021622 /nfs/dbraw/zinc/02/16/22/265021622.db2.gz HFXQBPOBSRPRGN-NSHDSACASA-N 0 0 337.339 3.122 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000175240168 265102253 /nfs/dbraw/zinc/10/22/53/265102253.db2.gz BWXFYALJSPDDMF-JKSUJKDBSA-N 0 0 349.431 3.354 10 5 EGBERN CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000178643810 265333156 /nfs/dbraw/zinc/33/31/56/265333156.db2.gz GAHXUBQTZJVGLS-CYBMUJFWSA-N 0 0 340.426 3.227 10 5 EGBERN COc1c(C)cnc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000178835136 265345826 /nfs/dbraw/zinc/34/58/26/265345826.db2.gz OLVJLPZMOCIKOY-UHFFFAOYSA-N 0 0 336.779 3.300 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000188500990 265683162 /nfs/dbraw/zinc/68/31/62/265683162.db2.gz XVVOVEDAMWLNGO-LBPRGKRZSA-N 0 0 345.355 3.030 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000191685544 265924788 /nfs/dbraw/zinc/92/47/88/265924788.db2.gz XEWWMUJNUOIKMH-BXUZGUMPSA-N 0 0 328.372 3.180 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000193854629 266069508 /nfs/dbraw/zinc/06/95/08/266069508.db2.gz RVENACGXKAYQSJ-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000194249512 266102444 /nfs/dbraw/zinc/10/24/44/266102444.db2.gz WDSXDQPSUPLAKP-VIFPVBQESA-N 0 0 332.278 3.018 10 5 EGBERN O=c1cc(C2CC2)nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[nH]1 ZINC000195083873 266159976 /nfs/dbraw/zinc/15/99/76/266159976.db2.gz CLZAKWKZNVZKOO-UHFFFAOYSA-N 0 0 344.352 3.401 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673550 266340039 /nfs/dbraw/zinc/34/00/39/266340039.db2.gz VRUZHCRWXLRNFW-OAHLLOKOSA-N 0 0 347.440 3.096 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC3(C2)CCCCC3)s1 ZINC000271449887 266663681 /nfs/dbraw/zinc/66/36/81/266663681.db2.gz WXDRBTQKDFUTQC-UHFFFAOYSA-N 0 0 344.458 3.220 10 5 EGBERN CC[C@@H](NC(=O)NCC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000271577341 266689455 /nfs/dbraw/zinc/68/94/55/266689455.db2.gz QQYXIUDZQWWAOL-OAHLLOKOSA-N 0 0 337.420 3.144 10 5 EGBERN COCC[C@@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273232724 267002513 /nfs/dbraw/zinc/00/25/13/267002513.db2.gz GCFRBALJKGKCCW-CJTWTEFWSA-N 0 0 344.367 3.485 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1csc(C)n1 ZINC000273265937 267009153 /nfs/dbraw/zinc/00/91/53/267009153.db2.gz LOWZHRLFBVXJBV-LUAWRHEFSA-N 0 0 331.397 3.122 10 5 EGBERN C[C@H](c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1)C1CC1 ZINC000273963180 267153013 /nfs/dbraw/zinc/15/30/13/267153013.db2.gz KTMRWYFCQKRWGL-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NCc1cc(-c2cnn(C)c2)no1 ZINC000274446800 267238728 /nfs/dbraw/zinc/23/87/28/267238728.db2.gz JDNTVBRJUOTWOJ-UHFFFAOYSA-N 0 0 327.344 3.212 10 5 EGBERN CC(C)Oc1cccc([C@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000275505680 267372566 /nfs/dbraw/zinc/37/25/66/267372566.db2.gz HTIANVWMMKKXKS-NSHDSACASA-N 0 0 333.344 3.034 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410778 268007015 /nfs/dbraw/zinc/00/70/15/268007015.db2.gz QAUOXNJJRGTNNA-SECBINFHSA-N 0 0 333.266 3.277 10 5 EGBERN CO[C@H](C)c1nc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000278436223 268012417 /nfs/dbraw/zinc/01/24/17/268012417.db2.gz JYCLAGPMBYTYDN-MRVPVSSYSA-N 0 0 333.373 3.247 10 5 EGBERN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000109552249 275178614 /nfs/dbraw/zinc/17/86/14/275178614.db2.gz WAPMOIJIHXNGCG-UHFFFAOYSA-N 0 0 329.287 3.383 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000181219901 275205681 /nfs/dbraw/zinc/20/56/81/275205681.db2.gz SSAPHHOSYBPGCP-YJYMSZOUSA-N 0 0 340.379 3.332 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000181219885 275205711 /nfs/dbraw/zinc/20/57/11/275205711.db2.gz SSAPHHOSYBPGCP-BFUOFWGJSA-N 0 0 340.379 3.332 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)n2C ZINC000184444867 275212004 /nfs/dbraw/zinc/21/20/04/275212004.db2.gz QFXLXNGNWNDFSM-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)Nc1cccc(F)c1 ZINC000184975804 275214231 /nfs/dbraw/zinc/21/42/31/275214231.db2.gz QYTIXFZOLAKTIM-UHFFFAOYSA-N 0 0 341.298 3.300 10 5 EGBERN COc1cccc(Cl)c1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000185393873 275215235 /nfs/dbraw/zinc/21/52/35/275215235.db2.gz QQQITFNNBRRKPT-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000270747962 275237465 /nfs/dbraw/zinc/23/74/65/275237465.db2.gz ACZLYZGPHWIJGR-HNNXBMFYSA-N 0 0 340.383 3.011 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278816455 275277500 /nfs/dbraw/zinc/27/75/00/275277500.db2.gz PKWBTOGTHKLZLR-MNOVXSKESA-N 0 0 345.321 3.196 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279255331 275316637 /nfs/dbraw/zinc/31/66/37/275316637.db2.gz RITDLGVEEKBVMO-MFKMUULPSA-N 0 0 347.289 3.418 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000183299728 275400030 /nfs/dbraw/zinc/40/00/30/275400030.db2.gz KOZPZJJUAGDDFR-SJPPTIKESA-N 0 0 344.411 3.152 10 5 EGBERN CC(C)(CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000280442093 275451421 /nfs/dbraw/zinc/45/14/21/275451421.db2.gz KMESONYGHVNQEP-UHFFFAOYSA-N 0 0 330.266 3.388 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1O ZINC000095467563 275528733 /nfs/dbraw/zinc/52/87/33/275528733.db2.gz ANVDDMBRGZIHKD-PBHICJAKSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)ncc1[N+](=O)[O-] ZINC000281917814 275588463 /nfs/dbraw/zinc/58/84/63/275588463.db2.gz NVQYUIZEWWXCBQ-CQSZACIVSA-N 0 0 341.415 3.215 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000287406198 276116644 /nfs/dbraw/zinc/11/66/44/276116644.db2.gz AJBSVXINACHULP-YESZJQIVSA-N 0 0 347.415 3.399 10 5 EGBERN COc1cc(Cc2noc([C@H]3C[C@H]3C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000288964137 276272352 /nfs/dbraw/zinc/27/23/52/276272352.db2.gz AUADHOHGIBCRDO-STQMWFEESA-N 0 0 347.371 3.345 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1cccc(C)n1 ZINC000289019485 276279893 /nfs/dbraw/zinc/27/98/93/276279893.db2.gz JZQOFBXCGWVFHI-YPKPFQOOSA-N 0 0 339.395 3.451 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC(F)F ZINC000289778211 276392552 /nfs/dbraw/zinc/39/25/52/276392552.db2.gz LUBPMMVDQPFIFQ-LBPRGKRZSA-N 0 0 343.330 3.045 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H](C)c2noc(COC(C)C)n2)c1 ZINC000290903698 276558793 /nfs/dbraw/zinc/55/87/93/276558793.db2.gz VNAUBHVXMABYAU-SNVBAGLBSA-N 0 0 336.348 3.085 10 5 EGBERN Cc1cc(NCCc2cn[nH]c2)c(Br)cc1[N+](=O)[O-] ZINC000291053852 276581843 /nfs/dbraw/zinc/58/18/43/276581843.db2.gz DZDHNQSALYDTAS-UHFFFAOYSA-N 0 0 325.166 3.043 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000291631898 276668848 /nfs/dbraw/zinc/66/88/48/276668848.db2.gz NWKMYUVXDLLKNT-UHFFFAOYSA-N 0 0 334.763 3.420 10 5 EGBERN CC(=O)c1ccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268231737 277111788 /nfs/dbraw/zinc/11/17/88/277111788.db2.gz FWWMKJWQUZLDIG-SJCJKPOMSA-N 0 0 328.372 3.081 10 5 EGBERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC000355046486 278072666 /nfs/dbraw/zinc/07/26/66/278072666.db2.gz PJEYRNKBGWDMPT-LBPRGKRZSA-N 0 0 347.375 3.187 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc2O1 ZINC000181200680 278386150 /nfs/dbraw/zinc/38/61/50/278386150.db2.gz XHFKMKQSSLVVSL-ZDUSSCGKSA-N 0 0 341.367 3.209 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000367841361 278616789 /nfs/dbraw/zinc/61/67/89/278616789.db2.gz FUICWNMHOBOXRR-DIFFPNOSSA-N 0 0 328.372 3.260 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000264504581 279013043 /nfs/dbraw/zinc/01/30/43/279013043.db2.gz OSSAPNPQPKVZPM-LBPRGKRZSA-N 0 0 331.372 3.025 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(N(C)C)c1 ZINC000103377480 279013128 /nfs/dbraw/zinc/01/31/28/279013128.db2.gz QHDQBFBPUMKLAZ-GFCCVEGCSA-N 0 0 325.368 3.252 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344253458 279924356 /nfs/dbraw/zinc/92/43/56/279924356.db2.gz BUSZZNRJYKPOPT-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000370514032 280191559 /nfs/dbraw/zinc/19/15/59/280191559.db2.gz LMBGJECJEFFWMX-OAHLLOKOSA-N 0 0 325.368 3.227 10 5 EGBERN Cc1c(Br)c(N[C@@H]2CSC2(C)C)ncc1[N+](=O)[O-] ZINC000338426114 280199162 /nfs/dbraw/zinc/19/91/62/280199162.db2.gz ZORKCADETVLNTQ-MRVPVSSYSA-N 0 0 332.223 3.367 10 5 EGBERN O=c1c2oc3ccccc3c2ncn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000069381199 280392765 /nfs/dbraw/zinc/39/27/65/280392765.db2.gz GCIUIHRIISSCQJ-UHFFFAOYSA-N 0 0 339.282 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2O[C@H](C)C1 ZINC000355903214 280658432 /nfs/dbraw/zinc/65/84/32/280658432.db2.gz FTWIBNIFQVFUON-CYBMUJFWSA-N 0 0 326.352 3.327 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115144363 293608731 /nfs/dbraw/zinc/60/87/31/293608731.db2.gz COQMGRQSBOIEHM-DOMZBBRYSA-N 0 0 325.368 3.316 10 5 EGBERN COc1cc(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000341484800 294980034 /nfs/dbraw/zinc/98/00/34/294980034.db2.gz LULBEDBDKSCMID-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN C[C@@H]1C[C@@]2(CCO1)CN(c1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373772697 297318004 /nfs/dbraw/zinc/31/80/04/297318004.db2.gz REKCPFMOIAYPSW-WQGACYEGSA-N 0 0 340.807 3.411 10 5 EGBERN Cc1cc(N2CC(CO)(c3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000413559439 309037421 /nfs/dbraw/zinc/03/74/21/309037421.db2.gz YIDQWGWDGAQCGU-UHFFFAOYSA-N 0 0 349.390 3.202 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055738076 307341361 /nfs/dbraw/zinc/34/13/61/307341361.db2.gz FTFBUPKCHNANSX-OAHLLOKOSA-N 0 0 331.759 3.369 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000075499055 307400205 /nfs/dbraw/zinc/40/02/05/307400205.db2.gz ALYUYLQIAVHWCG-NSHDSACASA-N 0 0 347.400 3.078 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000413872701 309050885 /nfs/dbraw/zinc/05/08/85/309050885.db2.gz NMFOVZAEILCWDU-AWEZNQCLSA-N 0 0 338.791 3.198 10 5 EGBERN CC(C)[C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079526703 307426521 /nfs/dbraw/zinc/42/65/21/307426521.db2.gz YOZMWSIRIKURAZ-SECBINFHSA-N 0 0 329.194 3.379 10 5 EGBERN COc1ccc(F)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000092121344 307464949 /nfs/dbraw/zinc/46/49/49/307464949.db2.gz WPQVOJGKVLTFAN-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN CCc1ccc(OCC(=O)Nc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000115201087 307480631 /nfs/dbraw/zinc/48/06/31/307480631.db2.gz PBGSVZFHLGEKOM-UHFFFAOYSA-N 0 0 330.340 3.183 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000127481180 307585699 /nfs/dbraw/zinc/58/56/99/307585699.db2.gz GJENWLOJYSZFEC-AWEZNQCLSA-N 0 0 328.368 3.202 10 5 EGBERN C[C@@H](NC(=O)COc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000135351894 307701451 /nfs/dbraw/zinc/70/14/51/307701451.db2.gz RHBOMXRJEMQDOG-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN CSc1ccc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000414149042 309063446 /nfs/dbraw/zinc/06/34/46/309063446.db2.gz NSFIMMYENHBLFW-CYBMUJFWSA-N 0 0 349.408 3.444 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOc2ccccc21 ZINC000152374193 307751236 /nfs/dbraw/zinc/75/12/36/307751236.db2.gz HQBGYVGWYOCOFH-UHFFFAOYSA-N 0 0 337.335 3.044 10 5 EGBERN COCCOc1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000153598507 307776821 /nfs/dbraw/zinc/77/68/21/307776821.db2.gz LUTLQCWMOHWFMW-UHFFFAOYSA-N 0 0 337.763 3.281 10 5 EGBERN COc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000157879680 307851719 /nfs/dbraw/zinc/85/17/19/307851719.db2.gz YMOAEJAQEOFLNJ-UHFFFAOYSA-N 0 0 327.340 3.194 10 5 EGBERN C[C@@]12CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]1C2(F)F ZINC000292859599 308073157 /nfs/dbraw/zinc/07/31/57/308073157.db2.gz OIYTZPCXUKDHOO-GOEBONIOSA-N 0 0 349.337 3.122 10 5 EGBERN C[C@@]12CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000293647714 308149105 /nfs/dbraw/zinc/14/91/05/308149105.db2.gz LJGQIIQLNHJCNU-GXFFZTMASA-N 0 0 330.718 3.366 10 5 EGBERN CCCc1nc(C)c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000293936936 308175826 /nfs/dbraw/zinc/17/58/26/308175826.db2.gz QUMNNKYYENYZHI-UHFFFAOYSA-N 0 0 342.355 3.255 10 5 EGBERN CC[C@H]1CCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000293978185 308179714 /nfs/dbraw/zinc/17/97/14/308179714.db2.gz KVFXXXDJOMPVAW-JTQLQIEISA-N 0 0 327.178 3.290 10 5 EGBERN Cc1nn(CCCc2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000294199043 308199283 /nfs/dbraw/zinc/19/92/83/308199283.db2.gz LQVUPKKGZJPZFK-UHFFFAOYSA-N 0 0 345.334 3.230 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000294500356 308226720 /nfs/dbraw/zinc/22/67/20/308226720.db2.gz SMLKZRFOBPQEOI-MRXNPFEDSA-N 0 0 340.807 3.228 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294804119 308258954 /nfs/dbraw/zinc/25/89/54/308258954.db2.gz CCSLHXYNHXAECE-BXUZGUMPSA-N 0 0 336.363 3.441 10 5 EGBERN CC(C)(CCC(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1)[N+](=O)[O-] ZINC000295265976 308309129 /nfs/dbraw/zinc/30/91/29/308309129.db2.gz HWQSKEGPYSKZKO-UHFFFAOYSA-N 0 0 344.293 3.356 10 5 EGBERN CCn1cc([C@@H](C)Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000295488657 308331718 /nfs/dbraw/zinc/33/17/18/308331718.db2.gz AHXCGQGUDLCBPR-XYLWRLHESA-N 0 0 344.371 3.171 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@](C)(F)C1 ZINC000295514220 308334776 /nfs/dbraw/zinc/33/47/76/308334776.db2.gz UHVHCDFYBZNVQJ-MEBBXXQBSA-N 0 0 343.786 3.399 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000295703953 308352392 /nfs/dbraw/zinc/35/23/92/308352392.db2.gz BXQCLRRCAVOGQE-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000299599391 308681063 /nfs/dbraw/zinc/68/10/63/308681063.db2.gz MJZXFFSZEBYJTR-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN Cc1cc(Sc2nnnn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301096424 308687938 /nfs/dbraw/zinc/68/79/38/308687938.db2.gz KGPBKGGPQKDTKR-UHFFFAOYSA-N 0 0 327.369 3.089 10 5 EGBERN CS(=O)(=O)c1ccc(NC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000301229636 308692581 /nfs/dbraw/zinc/69/25/81/308692581.db2.gz IEIBWLOHRKVWRQ-VMPITWQZSA-N 0 0 332.381 3.124 10 5 EGBERN COc1ccccc1N1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000301436216 308700283 /nfs/dbraw/zinc/70/02/83/308700283.db2.gz MLZLPHQMZCIOKI-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1ccc([C@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1F ZINC000301590329 308706503 /nfs/dbraw/zinc/70/65/03/308706503.db2.gz CVPPQTRIYIDGFQ-NSHDSACASA-N 0 0 342.330 3.223 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000301631639 308708279 /nfs/dbraw/zinc/70/82/79/308708279.db2.gz JEWPYNCQSSEKAA-ABAIWWIYSA-N 0 0 334.351 3.027 10 5 EGBERN CS(=O)(=O)c1cc(NC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000301802724 308715977 /nfs/dbraw/zinc/71/59/77/308715977.db2.gz UBNFTATUOQTEGY-VMPITWQZSA-N 0 0 332.381 3.124 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCSc3ccc(Cl)cc3)nn21 ZINC000301916386 308721522 /nfs/dbraw/zinc/72/15/22/308721522.db2.gz IZVCYOOGTVSGTH-UHFFFAOYSA-N 0 0 349.803 3.495 10 5 EGBERN C[C@@H]1CCOCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302002354 308724650 /nfs/dbraw/zinc/72/46/50/308724650.db2.gz SQPOHJHLHDOSSI-CQSZACIVSA-N 0 0 340.379 3.441 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(OC)ccc32)c1 ZINC000302119166 308729760 /nfs/dbraw/zinc/72/97/60/308729760.db2.gz XJDYEEKHFUDTJB-UHFFFAOYSA-N 0 0 328.324 3.084 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccn(C3CCCC3)n2)c1 ZINC000302159733 308731358 /nfs/dbraw/zinc/73/13/58/308731358.db2.gz JONFKUGDVZEGNI-UHFFFAOYSA-N 0 0 344.371 3.305 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(F)ccc2OC)c1 ZINC000302498721 308738315 /nfs/dbraw/zinc/73/83/15/308738315.db2.gz KTJKNQXSRPPAPO-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CCc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1F ZINC000302645633 308741076 /nfs/dbraw/zinc/74/10/76/308741076.db2.gz MCGCASGGLCYNMI-UHFFFAOYSA-N 0 0 338.360 3.443 10 5 EGBERN Cc1ccc(F)cc1Oc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302749030 308744145 /nfs/dbraw/zinc/74/41/45/308744145.db2.gz GHDWGJROHIALCQ-UHFFFAOYSA-N 0 0 331.346 3.300 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000302786753 308745667 /nfs/dbraw/zinc/74/56/67/308745667.db2.gz WHQHBPNCJOKTDR-BYCMXARLSA-N 0 0 326.780 3.021 10 5 EGBERN CCC[C@]1(COC)CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302833185 308747499 /nfs/dbraw/zinc/74/74/99/308747499.db2.gz SCRAFSAUCGCIKD-GOSISDBHSA-N 0 0 347.415 3.265 10 5 EGBERN COC(=O)c1cc(C)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000325141896 308769943 /nfs/dbraw/zinc/76/99/43/308769943.db2.gz BEYWOBRQOFEYNZ-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCN(c4ccccc4)CC3)ccnc21 ZINC000327790808 308771549 /nfs/dbraw/zinc/77/15/49/308771549.db2.gz COJRNITZQRRGQC-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330525397 308795981 /nfs/dbraw/zinc/79/59/81/308795981.db2.gz JQKPLHBBXOECBD-ZDUSSCGKSA-N 0 0 347.415 3.089 10 5 EGBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000334045826 308874808 /nfs/dbraw/zinc/87/48/08/308874808.db2.gz ZDSZTEMNEUMFRY-GTNSWQLSSA-N 0 0 338.379 3.041 10 5 EGBERN COc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410353125 308916596 /nfs/dbraw/zinc/91/65/96/308916596.db2.gz QSAWJQPAOWIYGO-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN CC(C)(NC(=O)c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000410927360 308922824 /nfs/dbraw/zinc/92/28/24/308922824.db2.gz SLCJKTSMWLNIGB-UHFFFAOYSA-N 0 0 343.261 3.267 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412193134 308974020 /nfs/dbraw/zinc/97/40/20/308974020.db2.gz DYAIZHAAIWJPPE-DZJNRPSUSA-N 0 0 346.427 3.146 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nccc(C(F)F)n2)c(C(F)(F)F)c1 ZINC000413291014 309025431 /nfs/dbraw/zinc/02/54/31/309025431.db2.gz BGZVVQSDIAJHAT-UHFFFAOYSA-N 0 0 349.219 3.348 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000413368968 309029199 /nfs/dbraw/zinc/02/91/99/309029199.db2.gz FSUBOWNPMWQKAK-GFCCVEGCSA-N 0 0 349.188 3.489 10 5 EGBERN Cc1cc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)ncc1[N+](=O)[O-] ZINC000413419305 309031272 /nfs/dbraw/zinc/03/12/72/309031272.db2.gz HBTVINVNZJIPPL-GXTWGEPZSA-N 0 0 335.385 3.045 10 5 EGBERN Cc1cnc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000413421180 309031294 /nfs/dbraw/zinc/03/12/94/309031294.db2.gz KIWUXCVRYUFXTF-WCQYABFASA-N 0 0 335.385 3.045 10 5 EGBERN Cc1cc(S(=O)(=O)NC2CCC(F)(F)CC2)c(C)cc1[N+](=O)[O-] ZINC000416444122 309171873 /nfs/dbraw/zinc/17/18/73/309171873.db2.gz XKBFLQDXJOVLGT-UHFFFAOYSA-N 0 0 348.371 3.068 10 5 EGBERN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000416502203 309172502 /nfs/dbraw/zinc/17/25/02/309172502.db2.gz KYLXIHDBMHVADU-UHFFFAOYSA-N 0 0 338.429 3.151 10 5 EGBERN CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000416564342 309173695 /nfs/dbraw/zinc/17/36/95/309173695.db2.gz BQLLCLJFHXELCJ-INIZCTEOSA-N 0 0 340.445 3.373 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416591973 309174367 /nfs/dbraw/zinc/17/43/67/309174367.db2.gz ODEUZSCQXNYFMS-CXAGYDPISA-N 0 0 346.408 3.340 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000417465038 309206998 /nfs/dbraw/zinc/20/69/98/309206998.db2.gz HHJPBRGGRCXKHU-XQQFMLRXSA-N 0 0 329.404 3.354 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000418135353 309237067 /nfs/dbraw/zinc/23/70/67/309237067.db2.gz AMTATCJNKFEQGJ-AWEZNQCLSA-N 0 0 333.413 3.403 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000420621007 309290533 /nfs/dbraw/zinc/29/05/33/309290533.db2.gz RHXHHHAALGHKMQ-LSDHHAIUSA-N 0 0 327.384 3.448 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000420797486 309295373 /nfs/dbraw/zinc/29/53/73/309295373.db2.gz HBKRPVPQATZCPI-AEGPPILISA-N 0 0 335.404 3.221 10 5 EGBERN CC[C@@H](CS(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)OC ZINC000421167436 309315901 /nfs/dbraw/zinc/31/59/01/309315901.db2.gz UHPQKWZLPNJDLF-LBPRGKRZSA-N 0 0 344.433 3.059 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)c1 ZINC000421257701 309317562 /nfs/dbraw/zinc/31/75/62/309317562.db2.gz HYAYOZCCEYELAV-IJLUTSLNSA-N 0 0 329.356 3.481 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc1 ZINC000421431415 309324356 /nfs/dbraw/zinc/32/43/56/309324356.db2.gz OHTMYVHUBBBYDM-UHFFFAOYSA-N 0 0 325.368 3.490 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000421495013 309327126 /nfs/dbraw/zinc/32/71/26/309327126.db2.gz HVMTZPBGSCDFJH-QGZVFWFLSA-N 0 0 325.368 3.488 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421794784 309340431 /nfs/dbraw/zinc/34/04/31/309340431.db2.gz DNLAIRUOLWIRTQ-CYBMUJFWSA-N 0 0 334.397 3.045 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000422241953 309358984 /nfs/dbraw/zinc/35/89/84/309358984.db2.gz SSCPMAKKDQCSDC-GDBMZVCRSA-N 0 0 347.415 3.226 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000422241483 309358998 /nfs/dbraw/zinc/35/89/98/309358998.db2.gz RPLCXNXVDITVMC-WMLDXEAASA-N 0 0 347.415 3.226 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424985540 309461089 /nfs/dbraw/zinc/46/10/89/309461089.db2.gz MBDJQADDRNONJC-XNJGSVPQSA-N 0 0 343.427 3.359 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000425023016 309462442 /nfs/dbraw/zinc/46/24/42/309462442.db2.gz XTQVTBNANBFZBE-MAUKXSAKSA-N 0 0 344.342 3.361 10 5 EGBERN C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000425632618 309488790 /nfs/dbraw/zinc/48/87/90/309488790.db2.gz ROCWGCMMRLJTKM-WFASDCNBSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1cc(C)cc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426804262 309517195 /nfs/dbraw/zinc/51/71/95/309517195.db2.gz SQCYXESXLZWQFM-SFHVURJKSA-N 0 0 342.395 3.306 10 5 EGBERN Cc1noc(C[C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2)n1 ZINC000428674618 309558482 /nfs/dbraw/zinc/55/84/82/309558482.db2.gz JFSMFCNHOFIGJG-CQSZACIVSA-N 0 0 325.328 3.077 10 5 EGBERN O=C([C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000432323258 309657418 /nfs/dbraw/zinc/65/74/18/309657418.db2.gz PIDPFDOYTBFKLT-GFCCVEGCSA-N 0 0 337.807 3.087 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432326447 309657468 /nfs/dbraw/zinc/65/74/68/309657468.db2.gz PHAHBVWRFPOQJK-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN CN(Cc1ccc(F)c(Cl)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000432869823 309671413 /nfs/dbraw/zinc/67/14/13/309671413.db2.gz ASUXPBDVHDTQJU-UHFFFAOYSA-N 0 0 335.726 3.066 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000433544521 309690740 /nfs/dbraw/zinc/69/07/40/309690740.db2.gz OZTRBFLGIHDUTH-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN Cc1c(CNC(=O)Nc2cn(C)nc2C(C)C)cccc1[N+](=O)[O-] ZINC000435072443 309725394 /nfs/dbraw/zinc/72/53/94/309725394.db2.gz FSNGHWYRLXKXEG-UHFFFAOYSA-N 0 0 331.376 3.082 10 5 EGBERN COc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000438094171 309806469 /nfs/dbraw/zinc/80/64/69/309806469.db2.gz MJQQSWOQIADCQI-UHFFFAOYSA-N 0 0 345.355 3.140 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC1CCOCC1 ZINC000438946700 309823024 /nfs/dbraw/zinc/82/30/24/309823024.db2.gz XZXYNFRFBZUEGT-UHFFFAOYSA-N 0 0 326.780 3.055 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000438953489 309823141 /nfs/dbraw/zinc/82/31/41/309823141.db2.gz ZDHHTSZGSUUVJM-VXGBXAGGSA-N 0 0 338.791 3.055 10 5 EGBERN Cc1sc(C(=O)N(C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000441411587 309871116 /nfs/dbraw/zinc/87/11/16/309871116.db2.gz NNSXXKTZXBCVIB-UHFFFAOYSA-N 0 0 334.401 3.150 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(n1)CCCC2 ZINC000442422384 309881549 /nfs/dbraw/zinc/88/15/49/309881549.db2.gz USNQIPIUWAPVBL-GFCCVEGCSA-N 0 0 337.379 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ncn(Cc3cccc(F)c3)n2)c(F)c1 ZINC000443996167 309911488 /nfs/dbraw/zinc/91/14/88/309911488.db2.gz IUUPPQIOOWAFAO-UHFFFAOYSA-N 0 0 345.309 3.125 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc(O)c2)n1 ZINC000445234433 309938171 /nfs/dbraw/zinc/93/81/71/309938171.db2.gz NXEDBMFTBIJVNC-UHFFFAOYSA-N 0 0 326.312 3.005 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000446037040 309953831 /nfs/dbraw/zinc/95/38/31/309953831.db2.gz MUVDXZCFTKPMHV-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000446107456 309956190 /nfs/dbraw/zinc/95/61/90/309956190.db2.gz HTIADJPUIDVNOY-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN C[C@H](NC(=O)NC[C@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000446508832 309963153 /nfs/dbraw/zinc/96/31/53/309963153.db2.gz ZMFMHYVFBYBAPC-UGSOOPFHSA-N 0 0 349.431 3.286 10 5 EGBERN Cn1cc([C@@H](NCc2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000447371862 309977883 /nfs/dbraw/zinc/97/78/83/309977883.db2.gz CBHTVTLLZKDICM-GFCCVEGCSA-N 0 0 348.712 3.375 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N(Cc3ccco3)C[C@H]3CCCO3)nc2c1 ZINC000450392932 310119850 /nfs/dbraw/zinc/11/98/50/310119850.db2.gz PCZUZJKTEJZOCL-CQSZACIVSA-N 0 0 342.355 3.250 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450659258 310135710 /nfs/dbraw/zinc/13/57/10/310135710.db2.gz QBLRYJYROOLEPY-WMLDXEAASA-N 0 0 334.322 3.038 10 5 EGBERN CC[C@H](NCc1nc(C(=O)OC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000450679895 310136814 /nfs/dbraw/zinc/13/68/14/310136814.db2.gz KIFXFYGZPZJQJL-LBPRGKRZSA-N 0 0 335.385 3.079 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000450685422 310137074 /nfs/dbraw/zinc/13/70/74/310137074.db2.gz SKEXQNXIHZTJOC-CYZMBNFOSA-N 0 0 348.428 3.119 10 5 EGBERN Cc1c(Br)c(=O)n(CC2=CCCCC2)cc1[N+](=O)[O-] ZINC000450903977 310148898 /nfs/dbraw/zinc/14/88/98/310148898.db2.gz LXTSHDBZJNBAIO-UHFFFAOYSA-N 0 0 327.178 3.328 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCC(F)(c2ccccn2)CC1 ZINC000450927490 310150265 /nfs/dbraw/zinc/15/02/65/310150265.db2.gz CGWOIGPWDPIUJA-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN COc1cc(CN2CCC(F)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000450933180 310150610 /nfs/dbraw/zinc/15/06/10/310150610.db2.gz UDZMHFDOSCWMIL-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352327 310173718 /nfs/dbraw/zinc/17/37/18/310173718.db2.gz KQZKXTVATXFJFR-JLZZUVOBSA-N 0 0 340.370 3.389 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000452503668 310230485 /nfs/dbraw/zinc/23/04/85/310230485.db2.gz UBIOIHCUFXHVHL-BBRMVZONSA-N 0 0 343.427 3.456 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ncccc1C ZINC000452801645 310242509 /nfs/dbraw/zinc/24/25/09/310242509.db2.gz ZQSXBALCNUWJIB-INIZCTEOSA-N 0 0 341.411 3.226 10 5 EGBERN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000453022034 310253161 /nfs/dbraw/zinc/25/31/61/310253161.db2.gz CDYBUCDVLRAGJD-LBPRGKRZSA-N 0 0 344.289 3.160 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(Cc3cncs3)n2)c2c1NCCC2 ZINC000453243412 310266339 /nfs/dbraw/zinc/26/63/39/310266339.db2.gz XROXUDXHQGAEIR-UHFFFAOYSA-N 0 0 343.368 3.050 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000454146760 310294527 /nfs/dbraw/zinc/29/45/27/310294527.db2.gz MKZBVARARCHTNO-ARFHVFGLSA-N 0 0 333.388 3.142 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000454324541 310303609 /nfs/dbraw/zinc/30/36/09/310303609.db2.gz OYIBNUMUGGTUQZ-NHYWBVRUSA-N 0 0 339.367 3.307 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000454359674 310305265 /nfs/dbraw/zinc/30/52/65/310305265.db2.gz KFZYRKVJUUVGBQ-LLVKDONJSA-N 0 0 332.360 3.096 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000455244473 310351938 /nfs/dbraw/zinc/35/19/38/310351938.db2.gz KGLJHLLHQPOKKY-QGZVFWFLSA-N 0 0 333.388 3.246 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000455403898 310359159 /nfs/dbraw/zinc/35/91/59/310359159.db2.gz ASDBKCABKDPHAB-YOEHRIQHSA-N 0 0 349.431 3.187 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000455409052 310359410 /nfs/dbraw/zinc/35/94/10/310359410.db2.gz GRXUUBGKAPTIRK-UHFFFAOYSA-N 0 0 337.420 3.422 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000455457308 310361522 /nfs/dbraw/zinc/36/15/22/310361522.db2.gz CAZSQKLPPQJCFI-QGZVFWFLSA-N 0 0 333.388 3.192 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000455599886 310368803 /nfs/dbraw/zinc/36/88/03/310368803.db2.gz HNLBGUKXCDEFQV-QGZVFWFLSA-N 0 0 342.399 3.291 10 5 EGBERN O=C(Nc1cccc(C2CC2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455616214 310369720 /nfs/dbraw/zinc/36/97/20/310369720.db2.gz ILHIIYQWSVVUAA-UHFFFAOYSA-N 0 0 338.367 3.457 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000456084093 310387878 /nfs/dbraw/zinc/38/78/78/310387878.db2.gz GIHCKOHIONKMPF-ZJUUUORDSA-N 0 0 346.305 3.406 10 5 EGBERN COC(=O)c1coc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000456184110 310392530 /nfs/dbraw/zinc/39/25/30/310392530.db2.gz JVLWIJLUUMWXEM-UHFFFAOYSA-N 0 0 347.327 3.047 10 5 EGBERN O=C(NC12CCC(CC1)CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456235066 310394358 /nfs/dbraw/zinc/39/43/58/310394358.db2.gz CCSNEEIEQJZSLK-UHFFFAOYSA-N 0 0 341.367 3.301 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456494557 310409072 /nfs/dbraw/zinc/40/90/72/310409072.db2.gz ZXXQZKHMUXOSFV-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CCCc1ncc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000456533863 310410922 /nfs/dbraw/zinc/41/09/22/310410922.db2.gz NQXSJDMMAOFQPI-LLVKDONJSA-N 0 0 349.412 3.332 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000457610133 310463132 /nfs/dbraw/zinc/46/31/32/310463132.db2.gz YGBCOJFJESJBKV-QMMMGPOBSA-N 0 0 330.287 3.001 10 5 EGBERN COC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000457844490 310474978 /nfs/dbraw/zinc/47/49/78/310474978.db2.gz DJVSAHKLWJHXIX-ZIAGYGMSSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@H](NC(=O)NC[C@]1(O)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000458529759 310508591 /nfs/dbraw/zinc/50/85/91/310508591.db2.gz ZRGRRIHJKLRQIZ-MAUKXSAKSA-N 0 0 349.431 3.286 10 5 EGBERN CCc1cc(N(CC)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461884191 310593276 /nfs/dbraw/zinc/59/32/76/310593276.db2.gz QENLUNCLZLCLOW-MRXNPFEDSA-N 0 0 342.399 3.229 10 5 EGBERN CCc1cc(SC[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462108656 310595574 /nfs/dbraw/zinc/59/55/74/310595574.db2.gz GUVFTCQTDXMGOJ-NSHDSACASA-N 0 0 333.413 3.335 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000462402546 310599266 /nfs/dbraw/zinc/59/92/66/310599266.db2.gz OJACEKFELNLJTN-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1OCc1noc(Cc2ccccc2)n1 ZINC000463576995 310614351 /nfs/dbraw/zinc/61/43/51/310614351.db2.gz KVUUPSZPESCICD-UHFFFAOYSA-N 0 0 329.287 3.287 10 5 EGBERN Cc1ccc(C)c(-n2cnc(=O)n2[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000468404815 310686998 /nfs/dbraw/zinc/68/69/98/310686998.db2.gz ZWANHZFOXOLNTF-AWEZNQCLSA-N 0 0 338.367 3.168 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000474379564 310791846 /nfs/dbraw/zinc/79/18/46/310791846.db2.gz VNJLJVLMTDJSBV-VWYCJHECSA-N 0 0 346.836 3.303 10 5 EGBERN COc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1OC)CCC2 ZINC000475530233 310813518 /nfs/dbraw/zinc/81/35/18/310813518.db2.gz NKSWYQMFEIRDOE-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN COc1ccc(F)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000477022796 310838042 /nfs/dbraw/zinc/83/80/42/310838042.db2.gz RWDPWABFRJSBKC-UHFFFAOYSA-N 0 0 347.346 3.449 10 5 EGBERN CCCC[C@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000484785001 310970322 /nfs/dbraw/zinc/97/03/22/310970322.db2.gz RUJQHVYLEMWJNR-LBPRGKRZSA-N 0 0 344.433 3.241 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@H](c4ccccc4)C3)nn21 ZINC000487158997 311012895 /nfs/dbraw/zinc/01/28/95/311012895.db2.gz WAMSUQBRDVLDBM-LSDHHAIUSA-N 0 0 337.383 3.198 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3c4ccccc4ncc3[N+](=O)[O-])cc21 ZINC000487765742 311037185 /nfs/dbraw/zinc/03/71/85/311037185.db2.gz BWBODKQXHLGLHP-UHFFFAOYSA-N 0 0 346.346 3.160 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1c[nH]c2ccccc12 ZINC000487896824 311041759 /nfs/dbraw/zinc/04/17/59/311041759.db2.gz LPCGQUZHJUMTMD-UHFFFAOYSA-N 0 0 347.330 3.274 10 5 EGBERN CSc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccn1 ZINC000488105173 311051409 /nfs/dbraw/zinc/05/14/09/311051409.db2.gz CAVHEDYPJLYTMJ-UHFFFAOYSA-N 0 0 326.381 3.294 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488111801 311051683 /nfs/dbraw/zinc/05/16/83/311051683.db2.gz GMXQRFPYBKSKMN-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488793228 311080194 /nfs/dbraw/zinc/08/01/94/311080194.db2.gz IIFWPLDRSYDQBZ-CABCVRRESA-N 0 0 326.418 3.088 10 5 EGBERN COc1ccc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc1[N+](=O)[O-] ZINC000488968864 311087394 /nfs/dbraw/zinc/08/73/94/311087394.db2.gz PUNVRYHKHQNLBG-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN Cc1c(C(=O)N2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000488976803 311087500 /nfs/dbraw/zinc/08/75/00/311087500.db2.gz CUBCPOCQMCESMU-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN CC[C@H](NC(=O)c1ncc(C)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000489717680 311117245 /nfs/dbraw/zinc/11/72/45/311117245.db2.gz PFJZSXWDXJHIOY-AWEZNQCLSA-N 0 0 329.356 3.188 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1nc(-c2cccnc2)no1 ZINC000489858964 311122965 /nfs/dbraw/zinc/12/29/65/311122965.db2.gz MXHWHTPYMPUAQZ-GFCCVEGCSA-N 0 0 339.355 3.233 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCCCc3ccc(F)cc3)nn21 ZINC000490000004 311129045 /nfs/dbraw/zinc/12/90/45/311129045.db2.gz OKLCBVPLBMIRBS-UHFFFAOYSA-N 0 0 343.362 3.023 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000490417913 311141562 /nfs/dbraw/zinc/14/15/62/311141562.db2.gz BDYIZFVZKLLPTR-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1(C)CCCC1 ZINC000490623381 311146926 /nfs/dbraw/zinc/14/69/26/311146926.db2.gz FKJPSXLTKJTAED-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC3(C2)CCCC3)cc1[N+](=O)[O-] ZINC000492150225 311221281 /nfs/dbraw/zinc/22/12/81/311221281.db2.gz IBFBVLIMABMMLC-UHFFFAOYSA-N 0 0 344.820 3.121 10 5 EGBERN Cc1cc(Nc2ccncc2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000503281284 311984284 /nfs/dbraw/zinc/98/42/84/311984284.db2.gz OTKHMWXXTVZWFU-ZDUSSCGKSA-N 0 0 327.388 3.238 10 5 EGBERN Cc1c(Br)cc(C(=O)NC[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000509664944 312122965 /nfs/dbraw/zinc/12/29/65/312122965.db2.gz QRZKRXPSFJTSJW-OIBJUYFYSA-N 0 0 327.178 3.052 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000511188317 312156986 /nfs/dbraw/zinc/15/69/86/312156986.db2.gz OJDZMTIOAOHXNQ-AWEZNQCLSA-N 0 0 339.395 3.084 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000517352531 312375935 /nfs/dbraw/zinc/37/59/35/312375935.db2.gz DAJYZMDAQWSFOS-CYBMUJFWSA-N 0 0 333.388 3.123 10 5 EGBERN CNc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000518250564 312409527 /nfs/dbraw/zinc/40/95/27/312409527.db2.gz GOWAONOMIJPAOT-UHFFFAOYSA-N 0 0 333.294 3.118 10 5 EGBERN Cc1cc(C)c(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000522246177 312583362 /nfs/dbraw/zinc/58/33/62/312583362.db2.gz ONOBRYQSGTUBDV-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000525041137 312693303 /nfs/dbraw/zinc/69/33/03/312693303.db2.gz FWBSCPNLVRJSTN-VQIMIIECSA-N 0 0 340.379 3.372 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000525041136 312693675 /nfs/dbraw/zinc/69/36/75/312693675.db2.gz FWBSCPNLVRJSTN-QFBILLFUSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000525934105 312770368 /nfs/dbraw/zinc/77/03/68/312770368.db2.gz AIHDQARFTXRLQX-RKDXNWHRSA-N 0 0 331.294 3.306 10 5 EGBERN CC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533469738 313909202 /nfs/dbraw/zinc/90/92/02/313909202.db2.gz XMLNRRAROIAWBF-UHFFFAOYSA-N 0 0 334.294 3.159 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCc1cc(C(=O)OC)oc1C ZINC000537602528 314194226 /nfs/dbraw/zinc/19/42/26/314194226.db2.gz YILRGGLRYMWLMH-UHFFFAOYSA-N 0 0 334.328 3.294 10 5 EGBERN C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000539293825 314304806 /nfs/dbraw/zinc/30/48/06/314304806.db2.gz UKMBUEWWNMYLFG-SCLBCKFNSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000539522126 314319166 /nfs/dbraw/zinc/31/91/66/314319166.db2.gz YMBOMYYPHZRPFF-LBPRGKRZSA-N 0 0 342.342 3.366 10 5 EGBERN COC(=O)c1cc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(C)o1 ZINC000539759631 314334749 /nfs/dbraw/zinc/33/47/49/314334749.db2.gz VUBJWUJSPACREX-UHFFFAOYSA-N 0 0 341.323 3.195 10 5 EGBERN O=C(CC/C=C\c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539780242 314336643 /nfs/dbraw/zinc/33/66/43/314336643.db2.gz GWZBDRBKJFJHEW-YWEYNIOJSA-N 0 0 337.379 3.368 10 5 EGBERN COC(=O)c1cc(NCC[C@H]2CCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000541350727 314453617 /nfs/dbraw/zinc/45/36/17/314453617.db2.gz NVRBPJKNPXQEQH-STQMWFEESA-N 0 0 336.388 3.307 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2ccc3c(c2)OCCO3)n1 ZINC000541933018 314506049 /nfs/dbraw/zinc/50/60/49/314506049.db2.gz FLCFNMVJNXDMMS-UHFFFAOYSA-N 0 0 329.356 3.014 10 5 EGBERN CC(C)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000543139490 314606588 /nfs/dbraw/zinc/60/65/88/314606588.db2.gz FHQWEYUTDFOKNI-MRXNPFEDSA-N 0 0 348.374 3.389 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000549119885 315076272 /nfs/dbraw/zinc/07/62/72/315076272.db2.gz KLWJNDCKGATDDS-UHFFFAOYSA-N 0 0 329.278 3.394 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@]3(C)C[C@H]4C[C@H]4C3)n2)c1 ZINC000551415421 315153832 /nfs/dbraw/zinc/15/38/32/315153832.db2.gz FUVXTKCKXVNZTO-DPIQGUFMSA-N 0 0 329.356 3.265 10 5 EGBERN O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000551924370 315179033 /nfs/dbraw/zinc/17/90/33/315179033.db2.gz WHLHPOYHWKWFCX-UHFFFAOYSA-N 0 0 340.261 3.216 10 5 EGBERN Cc1ccc(C(=O)N2CCC(F)(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000552129016 315200115 /nfs/dbraw/zinc/20/01/15/315200115.db2.gz WPQLNFCAXJOCMW-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000552170145 315203521 /nfs/dbraw/zinc/20/35/21/315203521.db2.gz JFIROZGCNDCTLU-MNOVXSKESA-N 0 0 346.305 3.068 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCc2cccc(O)c21 ZINC000552349505 315215120 /nfs/dbraw/zinc/21/51/20/315215120.db2.gz DMSFBFYSLSJSPS-HNNXBMFYSA-N 0 0 340.379 3.031 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccc(C)cc2C)n1 ZINC000553639833 315274388 /nfs/dbraw/zinc/27/43/88/315274388.db2.gz VGULODNJBJEGCK-UHFFFAOYSA-N 0 0 344.415 3.136 10 5 EGBERN CCOc1cc(N2CC(OC)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000553707828 315277339 /nfs/dbraw/zinc/27/73/39/315277339.db2.gz JQPQTEHXGDRZJX-UHFFFAOYSA-N 0 0 328.368 3.355 10 5 EGBERN COc1c(C(=O)Nc2nc3cc(C)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000553811468 315283684 /nfs/dbraw/zinc/28/36/84/315283684.db2.gz AKXDMNKIAVIDIF-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CC(C)(C)c1nnsc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000554786962 315348570 /nfs/dbraw/zinc/34/85/70/315348570.db2.gz RGJJIQBBNNDMKC-UHFFFAOYSA-N 0 0 331.357 3.461 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)COc1ccccc1Cl ZINC000556039139 315412873 /nfs/dbraw/zinc/41/28/73/315412873.db2.gz SOFXRDLRQQDQFP-GFCCVEGCSA-N 0 0 337.759 3.375 10 5 EGBERN COC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000560800542 315724440 /nfs/dbraw/zinc/72/44/40/315724440.db2.gz OONLKOCNVCVPBN-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1CCC(OC)CC1 ZINC000561221061 315749689 /nfs/dbraw/zinc/74/96/89/315749689.db2.gz CZOIQFSTTREZTN-UHFFFAOYSA-N 0 0 336.388 3.307 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000562265749 315809635 /nfs/dbraw/zinc/80/96/35/315809635.db2.gz AMVGUJKHDZSPMH-MNOVXSKESA-N 0 0 333.310 3.126 10 5 EGBERN COC(=O)c1ccc(CN(C)c2c(OC)cccc2[N+](=O)[O-])cc1 ZINC000563750637 316064226 /nfs/dbraw/zinc/06/42/26/316064226.db2.gz YKXZJDOBKFRWAT-UHFFFAOYSA-N 0 0 330.340 3.026 10 5 EGBERN COc1cc(C(=O)NC[C@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000564331424 316137856 /nfs/dbraw/zinc/13/78/56/316137856.db2.gz FZFAAWFZHQCVTG-WXRRBKDZSA-N 0 0 348.399 3.168 10 5 EGBERN C[C@@H]1CCCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564635226 316178839 /nfs/dbraw/zinc/17/88/39/316178839.db2.gz UIHSVHOCOCEFDP-CYBMUJFWSA-N 0 0 344.415 3.450 10 5 EGBERN CCc1onc(C)c1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000564776674 316202848 /nfs/dbraw/zinc/20/28/48/316202848.db2.gz SMUKMKGXOCMTKN-UHFFFAOYSA-N 0 0 344.327 3.103 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565115280 316268831 /nfs/dbraw/zinc/26/88/31/316268831.db2.gz OYRYTHDQHDRBBC-TVQRCGJNSA-N 0 0 348.321 3.141 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565115279 316269147 /nfs/dbraw/zinc/26/91/47/316269147.db2.gz OYRYTHDQHDRBBC-RNCFNFMXSA-N 0 0 348.321 3.141 10 5 EGBERN C[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000565259821 316301452 /nfs/dbraw/zinc/30/14/52/316301452.db2.gz RSJKGOICDMCOMU-NSHDSACASA-N 0 0 330.388 3.368 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2[C@H]2CCCOC2)cc(C)c1[N+](=O)[O-] ZINC000566971789 316552287 /nfs/dbraw/zinc/55/22/87/316552287.db2.gz PFIGRCLKSFIWRS-BBRMVZONSA-N 0 0 348.399 3.085 10 5 EGBERN CNc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000568312332 316758266 /nfs/dbraw/zinc/75/82/66/316758266.db2.gz BRQXCCUTUFVOBB-GJZGRUSLSA-N 0 0 325.368 3.170 10 5 EGBERN COc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000570479571 317061656 /nfs/dbraw/zinc/06/16/56/317061656.db2.gz BYAUAPZBUJURMB-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000571716828 317235933 /nfs/dbraw/zinc/23/59/33/317235933.db2.gz LXPYCXHIXSFHCN-UHFFFAOYSA-N 0 0 345.746 3.348 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000572866423 317403092 /nfs/dbraw/zinc/40/30/92/317403092.db2.gz AHZPLDBVLHYDEZ-CYBMUJFWSA-N 0 0 335.404 3.347 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000152513817 455129793 /nfs/dbraw/zinc/12/97/93/455129793.db2.gz CJYOCCXRQCDCPB-UHFFFAOYSA-N 0 0 339.804 3.328 10 5 EGBERN COCCN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302031001 456272379 /nfs/dbraw/zinc/27/23/79/456272379.db2.gz NCJBBOICQWQQSH-SNVBAGLBSA-N 0 0 348.230 3.059 10 5 EGBERN Cc1c(CC(=O)Nc2cccc(N(C)C)c2C)cccc1[N+](=O)[O-] ZINC000181905057 323511827 /nfs/dbraw/zinc/51/18/27/323511827.db2.gz CMZQLAHSUDYHMM-UHFFFAOYSA-N 0 0 327.384 3.459 10 5 EGBERN CCOc1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000184982706 323684071 /nfs/dbraw/zinc/68/40/71/323684071.db2.gz ZIOIAPJCANKIKE-LLVKDONJSA-N 0 0 349.412 3.326 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000185818282 323712354 /nfs/dbraw/zinc/71/23/54/323712354.db2.gz RLZHVONRPXAQGS-AWEZNQCLSA-N 0 0 348.424 3.155 10 5 EGBERN COc1cc(-c2nc([C@](C)(OC)C3CC3)no2)c([N+](=O)[O-])cc1F ZINC000351125520 324175081 /nfs/dbraw/zinc/17/50/81/324175081.db2.gz SBSFELCLCWCBQC-OAHLLOKOSA-N 0 0 337.307 3.064 10 5 EGBERN CC(C)n1cccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575834323 324488553 /nfs/dbraw/zinc/48/85/53/324488553.db2.gz LXBRDCOCYOPYPE-UHFFFAOYSA-N 0 0 340.383 3.431 10 5 EGBERN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578744967 325012397 /nfs/dbraw/zinc/01/23/97/325012397.db2.gz ZVTKJFXCUZRFSH-FRRDWIJNSA-N 0 0 344.415 3.305 10 5 EGBERN CC[C@H](C)n1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1C ZINC000579113270 325064399 /nfs/dbraw/zinc/06/43/99/325064399.db2.gz QPWFSFDDBQLNHR-JTQLQIEISA-N 0 0 331.376 3.365 10 5 EGBERN CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000579261861 325086744 /nfs/dbraw/zinc/08/67/44/325086744.db2.gz LUEDJRGRUBTWSR-UHFFFAOYSA-N 0 0 333.310 3.102 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000580736334 325289726 /nfs/dbraw/zinc/28/97/26/325289726.db2.gz PPNBLANZLNMGHG-IQMDTDKHSA-N 0 0 326.343 3.356 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000580736331 325290084 /nfs/dbraw/zinc/29/00/84/325290084.db2.gz PPNBLANZLNMGHG-FCHSOHFDSA-N 0 0 326.343 3.356 10 5 EGBERN Cc1c(CN(C)c2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000581230975 325343364 /nfs/dbraw/zinc/34/33/64/325343364.db2.gz GXYQODBQXNFTMS-UHFFFAOYSA-N 0 0 339.193 3.036 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)c1 ZINC000583881927 325559533 /nfs/dbraw/zinc/55/95/33/325559533.db2.gz OYBOHCFPBURPDX-CQSZACIVSA-N 0 0 325.368 3.236 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000189770420 455238995 /nfs/dbraw/zinc/23/89/95/455238995.db2.gz UYFTXKLRYUXEIQ-WCBMZHEXSA-N 0 0 347.293 3.303 10 5 EGBERN CC(=O)c1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000157868091 455242746 /nfs/dbraw/zinc/24/27/46/455242746.db2.gz DOJUEBMZKIGJIT-UHFFFAOYSA-N 0 0 339.351 3.388 10 5 EGBERN COc1cc(C)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1OC ZINC000005616500 452888592 /nfs/dbraw/zinc/88/85/92/452888592.db2.gz ANZCEWRZXSEOHP-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@H](Sc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000007339965 453060698 /nfs/dbraw/zinc/06/06/98/453060698.db2.gz OQCRWSVPARLGKQ-NSHDSACASA-N 0 0 327.369 3.424 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000008120533 453165819 /nfs/dbraw/zinc/16/58/19/453165819.db2.gz TZWDYLRVUMPZPR-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN COc1ccccc1-c1noc(COc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000008221193 453179076 /nfs/dbraw/zinc/17/90/76/453179076.db2.gz VXDYYECEFUAZIR-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000010923481 453306888 /nfs/dbraw/zinc/30/68/88/453306888.db2.gz UVFBWRRYKYKAPI-UHFFFAOYSA-N 0 0 332.381 3.254 10 5 EGBERN Cc1cc(OCC(=O)N2CC(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000600760903 460593969 /nfs/dbraw/zinc/59/39/69/460593969.db2.gz MNSSBGVIVRJOAO-UHFFFAOYSA-N 0 0 346.408 3.045 10 5 EGBERN COc1ccc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000600776393 460599380 /nfs/dbraw/zinc/59/93/80/460599380.db2.gz PZNCXRBDGPCTLI-CQSZACIVSA-N 0 0 344.342 3.372 10 5 EGBERN O=[N+]([O-])c1ccc(Sc2nnnn2Cc2ccccc2)c(Cl)c1 ZINC000015142798 453559398 /nfs/dbraw/zinc/55/93/98/453559398.db2.gz FGVQZRZPGGOBQO-UHFFFAOYSA-N 0 0 347.787 3.434 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000016086497 453593310 /nfs/dbraw/zinc/59/33/10/453593310.db2.gz SPUIWFQIPMKHSQ-JTQLQIEISA-N 0 0 340.788 3.288 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600808535 460612442 /nfs/dbraw/zinc/61/24/42/460612442.db2.gz LXCRIAKSBFWYSU-XGACYXMMSA-N 0 0 348.399 3.187 10 5 EGBERN C[C@H](NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026347327 453797751 /nfs/dbraw/zinc/79/77/51/453797751.db2.gz KBEFEGASKXAMDX-ZDUSSCGKSA-N 0 0 345.374 3.043 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000027843651 453820732 /nfs/dbraw/zinc/82/07/32/453820732.db2.gz KDUZVHAFNQELBD-ZDUSSCGKSA-N 0 0 345.424 3.221 10 5 EGBERN Cc1csc2nc(COc3c(C)ccc([N+](=O)[O-])c3C)cc(=O)n12 ZINC000029750943 453831239 /nfs/dbraw/zinc/83/12/39/453831239.db2.gz HALZGMJMCDZRCI-UHFFFAOYSA-N 0 0 345.380 3.168 10 5 EGBERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000031546656 453848665 /nfs/dbraw/zinc/84/86/65/453848665.db2.gz YNNRXAVHFXCAPU-ZBEGNZNMSA-N 0 0 339.351 3.442 10 5 EGBERN COC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000075368705 453886201 /nfs/dbraw/zinc/88/62/01/453886201.db2.gz CLBVGOCNKMGXLV-HNNXBMFYSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](OCCC(C)C)C2)cc1[N+](=O)[O-] ZINC000081607668 453894765 /nfs/dbraw/zinc/89/47/65/453894765.db2.gz DSASWAIYBRUTRS-GFCCVEGCSA-N 0 0 326.418 3.242 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000083013933 453933039 /nfs/dbraw/zinc/93/30/39/453933039.db2.gz ORJYMURVQFVLFQ-UHFFFAOYSA-N 0 0 345.424 3.131 10 5 EGBERN CNc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000075921259 453938916 /nfs/dbraw/zinc/93/89/16/453938916.db2.gz UKXITYAMKYWXDK-UHFFFAOYSA-N 0 0 336.351 3.115 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000039401556 453943350 /nfs/dbraw/zinc/94/33/50/453943350.db2.gz KYKNAJUWCUJKFD-UHFFFAOYSA-N 0 0 328.280 3.349 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000067873168 453974724 /nfs/dbraw/zinc/97/47/24/453974724.db2.gz RCYTZPMFXPCKJI-JKSUJKDBSA-N 0 0 340.379 3.344 10 5 EGBERN Cc1ccc(Sc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1C ZINC000041817328 453979808 /nfs/dbraw/zinc/97/98/08/453979808.db2.gz ZYIFHBYYMDACIF-UHFFFAOYSA-N 0 0 327.365 3.371 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000067980299 453986365 /nfs/dbraw/zinc/98/63/65/453986365.db2.gz LKRYLPCZBDNRKW-AWEZNQCLSA-N 0 0 336.706 3.330 10 5 EGBERN COc1ccc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])c(OC)c1 ZINC000042111127 453994922 /nfs/dbraw/zinc/99/49/22/453994922.db2.gz SITLVCLJGACZFW-VIFPVBQESA-N 0 0 348.384 3.494 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ccccc2I)cn1 ZINC000042418456 454010079 /nfs/dbraw/zinc/01/00/79/454010079.db2.gz RLVDZJFKBYXPNM-UHFFFAOYSA-N 0 0 342.092 3.387 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000085460446 454030162 /nfs/dbraw/zinc/03/01/62/454030162.db2.gz LGRAIKDQIDRXGU-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000068704439 454046049 /nfs/dbraw/zinc/04/60/49/454046049.db2.gz VCTYHFWGOWCRJB-UHFFFAOYSA-N 0 0 345.746 3.348 10 5 EGBERN COc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000086963754 454053080 /nfs/dbraw/zinc/05/30/80/454053080.db2.gz NLTNKFCSJCBCJV-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087255372 454073213 /nfs/dbraw/zinc/07/32/13/454073213.db2.gz ODJNRDICLOSUAQ-QGZVFWFLSA-N 0 0 334.416 3.335 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000088235476 454095307 /nfs/dbraw/zinc/09/53/07/454095307.db2.gz LRYHFQUCUCPWGV-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1csc(N2CCCN(c3cccc(F)c3[N+](=O)[O-])CC2)n1 ZINC000057148467 454106184 /nfs/dbraw/zinc/10/61/84/454106184.db2.gz XZYSJBGIXVYRRM-UHFFFAOYSA-N 0 0 336.392 3.216 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000044754644 454117590 /nfs/dbraw/zinc/11/75/90/454117590.db2.gz DQDAQADDVXQUKY-UHFFFAOYSA-N 0 0 333.369 3.484 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000069565381 454119245 /nfs/dbraw/zinc/11/92/45/454119245.db2.gz QTEZPNSVDZTOGR-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN C[C@H]([C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-])n1cncn1 ZINC000069594378 454122839 /nfs/dbraw/zinc/12/28/39/454122839.db2.gz WNHDKPXVTRLLSU-DTWKUNHWSA-N 0 0 340.181 3.010 10 5 EGBERN Cc1c(NC(=O)N[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000077660871 454137119 /nfs/dbraw/zinc/13/71/19/454137119.db2.gz BPUYZJYWIMTFIT-OAHLLOKOSA-N 0 0 329.356 3.148 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C(C)C)C2CCOCC2)c1 ZINC000078183311 454209010 /nfs/dbraw/zinc/20/90/10/454209010.db2.gz LQGCHCRQAGTHOU-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000089835102 454212563 /nfs/dbraw/zinc/21/25/63/454212563.db2.gz BTUIQCIEYJOJOV-HUUCEWRRSA-N 0 0 346.333 3.335 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1O ZINC000095467564 454218147 /nfs/dbraw/zinc/21/81/47/454218147.db2.gz ANVDDMBRGZIHKD-YOEHRIQHSA-N 0 0 329.400 3.376 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058904656 454242685 /nfs/dbraw/zinc/24/26/85/454242685.db2.gz IVOFWSRDSUFPPH-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCC(F)(F)F)n1 ZINC000131456642 454256228 /nfs/dbraw/zinc/25/62/28/454256228.db2.gz HDUNYXIGBABVRI-UHFFFAOYSA-N 0 0 341.245 3.183 10 5 EGBERN COCCC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCC1 ZINC000131494669 454259087 /nfs/dbraw/zinc/25/90/87/454259087.db2.gz DLQLSTBBLCIJHE-UHFFFAOYSA-N 0 0 336.388 3.309 10 5 EGBERN CC[C@H](NC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090466513 454309558 /nfs/dbraw/zinc/30/95/58/454309558.db2.gz CRDZGIXGOVWHRF-HNNXBMFYSA-N 0 0 332.331 3.380 10 5 EGBERN CC[C@H](NC(=O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466128 454309614 /nfs/dbraw/zinc/30/96/14/454309614.db2.gz FIMMDEROXUHTMJ-INIZCTEOSA-N 0 0 332.331 3.380 10 5 EGBERN C[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078927708 454338095 /nfs/dbraw/zinc/33/80/95/454338095.db2.gz QHPMLGBRBJYQHP-NSHDSACASA-N 0 0 327.369 3.424 10 5 EGBERN O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000132817849 454367955 /nfs/dbraw/zinc/36/79/55/454367955.db2.gz SXIQTEALASCSMG-UHFFFAOYSA-N 0 0 334.278 3.475 10 5 EGBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091162223 454397676 /nfs/dbraw/zinc/39/76/76/454397676.db2.gz BTOUFNJGXMIAOX-KGLIPLIRSA-N 0 0 349.387 3.147 10 5 EGBERN Cc1cc(C(=O)N(CCc2nccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000133303986 454410722 /nfs/dbraw/zinc/41/07/22/454410722.db2.gz OSUKXVBNBBJSRM-UHFFFAOYSA-N 0 0 333.413 3.453 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434162 454434857 /nfs/dbraw/zinc/43/48/57/454434857.db2.gz DFTSDGQYFSPPJT-MNOVXSKESA-N 0 0 346.305 3.211 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000064244697 454469439 /nfs/dbraw/zinc/46/94/39/454469439.db2.gz PWLHVLJALVXZIV-SDDRHHMPSA-N 0 0 344.458 3.294 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2cccnc2N(C)C)c1 ZINC000079725900 454470651 /nfs/dbraw/zinc/47/06/51/454470651.db2.gz XSOSQKRPEKFHES-UHFFFAOYSA-N 0 0 346.412 3.054 10 5 EGBERN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612477867 460638257 /nfs/dbraw/zinc/63/82/57/460638257.db2.gz LJSZPHRWZDMPQF-RYUDHWBXSA-N 0 0 331.347 3.152 10 5 EGBERN COc1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)ccc1[N+](=O)[O-] ZINC000091825882 454477204 /nfs/dbraw/zinc/47/72/04/454477204.db2.gz BVNZQHXPTKCAOT-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCC(C)(C)NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000133973459 454488658 /nfs/dbraw/zinc/48/86/58/454488658.db2.gz ARAWEJTZKGOUBM-UHFFFAOYSA-N 0 0 334.294 3.297 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000134024048 454493518 /nfs/dbraw/zinc/49/35/18/454493518.db2.gz SSVKRSAAVRRSMB-SMDDNHRTSA-N 0 0 334.397 3.207 10 5 EGBERN Cc1sc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000102152764 454494347 /nfs/dbraw/zinc/49/43/47/454494347.db2.gz OMZDVMHXTTZKLX-UHFFFAOYSA-N 0 0 337.382 3.193 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1cccnc1 ZINC000103375929 454551101 /nfs/dbraw/zinc/55/11/01/454551101.db2.gz AEDCQBAQRMRGCL-GFCCVEGCSA-N 0 0 343.408 3.201 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000080232734 454553668 /nfs/dbraw/zinc/55/36/68/454553668.db2.gz YWOBZROBFCLKPC-MRXNPFEDSA-N 0 0 327.384 3.218 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)C1CCCCC1 ZINC000050508283 454588234 /nfs/dbraw/zinc/58/82/34/454588234.db2.gz MCAIJQYEGORCGR-CQSZACIVSA-N 0 0 333.432 3.379 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cccc(-n3ccnn3)c2)c1 ZINC000092685803 454611190 /nfs/dbraw/zinc/61/11/90/454611190.db2.gz KYQLJZSZIWQCEL-UHFFFAOYSA-N 0 0 329.291 3.067 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N[C@H](C)Cc1c(C)nn(C)c1C ZINC000080660219 454614014 /nfs/dbraw/zinc/61/40/14/454614014.db2.gz DGUIYRZYQUHUKH-LLVKDONJSA-N 0 0 332.404 3.135 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000074659599 454614743 /nfs/dbraw/zinc/61/47/43/454614743.db2.gz GOPNXFWRDIFYPR-ZDUSSCGKSA-N 0 0 342.399 3.400 10 5 EGBERN O=c1c([N+](=O)[O-])c(Oc2cccc3c2CCCC3)nc2ccccn21 ZINC000080676490 454617532 /nfs/dbraw/zinc/61/75/32/454617532.db2.gz UWJQLXZPTUKRSI-UHFFFAOYSA-N 0 0 337.335 3.274 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000135150693 454640145 /nfs/dbraw/zinc/64/01/45/454640145.db2.gz LJNPFXWXNQFZNB-SJKOYZFVSA-N 0 0 341.367 3.451 10 5 EGBERN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001341 454649231 /nfs/dbraw/zinc/64/92/31/454649231.db2.gz SFJLYNLAVKKXHL-UHFFFAOYSA-N 0 0 340.426 3.488 10 5 EGBERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000123626469 454658744 /nfs/dbraw/zinc/65/87/44/454658744.db2.gz MLTYCCFYWKLHAS-KRWDZBQOSA-N 0 0 340.379 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371097 454692667 /nfs/dbraw/zinc/69/26/67/454692667.db2.gz HSUHQOCXDLCWCD-UHFFFAOYSA-N 0 0 344.415 3.019 10 5 EGBERN CC[C@@H](NC(=O)Nc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000152654894 454707383 /nfs/dbraw/zinc/70/73/83/454707383.db2.gz OWADDUYCNFDYGX-CQSZACIVSA-N 0 0 343.387 3.329 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136233127 454731297 /nfs/dbraw/zinc/73/12/97/454731297.db2.gz OHJZYPIIHYBEIG-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN Nc1c(C(=O)N2CCCC[C@@H]2c2nccs2)cccc1[N+](=O)[O-] ZINC000176465821 454748921 /nfs/dbraw/zinc/74/89/21/454748921.db2.gz NMBSRYVIXQEETG-GFCCVEGCSA-N 0 0 332.385 3.001 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162140762 454754596 /nfs/dbraw/zinc/75/45/96/454754596.db2.gz BHRWEMXHDOUJGV-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707841 454774112 /nfs/dbraw/zinc/77/41/12/454774112.db2.gz ZWLSXWMRJNPVNP-IRXDYDNUSA-N 0 0 343.383 3.079 10 5 EGBERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403039 454790142 /nfs/dbraw/zinc/79/01/42/454790142.db2.gz YJSDRESHKHJITR-GOEBONIOSA-N 0 0 345.443 3.133 10 5 EGBERN Cc1ccc(N2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000108349546 454793439 /nfs/dbraw/zinc/79/34/39/454793439.db2.gz UBFLJHCVRBPQCD-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN Cc1cc(NC(=O)NCCCc2nc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000153616228 454813016 /nfs/dbraw/zinc/81/30/16/454813016.db2.gz QUNYIWLUTXGIPN-UHFFFAOYSA-N 0 0 347.375 3.164 10 5 EGBERN CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125441383 454822118 /nfs/dbraw/zinc/82/21/18/454822118.db2.gz ABRSEISYAVIGQS-NEPJUHHUSA-N 0 0 326.418 3.379 10 5 EGBERN COc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000142742835 454837965 /nfs/dbraw/zinc/83/79/65/454837965.db2.gz DIQNWIACTKSFRX-UHFFFAOYSA-N 0 0 328.372 3.079 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000177337453 454853487 /nfs/dbraw/zinc/85/34/87/454853487.db2.gz HHIZVULZZMOQDN-GFCCVEGCSA-N 0 0 348.790 3.050 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nccs1 ZINC000154030026 454858689 /nfs/dbraw/zinc/85/86/89/454858689.db2.gz NZCRZNXZJIHGQG-CYBMUJFWSA-N 0 0 325.415 3.476 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000177614277 454884408 /nfs/dbraw/zinc/88/44/08/454884408.db2.gz PCDVOFBWOQCVFR-JKSUJKDBSA-N 0 0 330.384 3.267 10 5 EGBERN CC[C@H](NC(=O)CSCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177795880 454906975 /nfs/dbraw/zinc/90/69/75/454906975.db2.gz KLTWBGWNUKUJPW-INIZCTEOSA-N 0 0 345.424 3.491 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cccnc1 ZINC000600950397 460656205 /nfs/dbraw/zinc/65/62/05/460656205.db2.gz GQFSKKPHPLPQNC-CYBMUJFWSA-N 0 0 325.368 3.289 10 5 EGBERN O=c1ccc2cc([N+](=O)[O-])ccc2n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000170616285 454943198 /nfs/dbraw/zinc/94/31/98/454943198.db2.gz XNNAHRSNHROQBN-UHFFFAOYSA-N 0 0 343.270 3.005 10 5 EGBERN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c(Cl)cc1F ZINC000127263104 454949916 /nfs/dbraw/zinc/94/99/16/454949916.db2.gz HNRWPAWBGWRTCU-UHFFFAOYSA-N 0 0 338.722 3.049 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000114434210 454954014 /nfs/dbraw/zinc/95/40/14/454954014.db2.gz ORZJMINUXMHSMW-SFHVURJKSA-N 0 0 329.400 3.356 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000114499660 454957524 /nfs/dbraw/zinc/95/75/24/454957524.db2.gz YTGGARNNUMZIAK-AWEZNQCLSA-N 0 0 342.442 3.167 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000127383207 454959772 /nfs/dbraw/zinc/95/97/72/454959772.db2.gz DTJSSHUOCMDULY-WBMJQRKESA-N 0 0 343.387 3.215 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000127559009 454976960 /nfs/dbraw/zinc/97/69/60/454976960.db2.gz GEZHTEAGILAIHR-UHFFFAOYSA-N 0 0 332.257 3.123 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(Cl)c(C)c32)n1 ZINC000191623989 455504648 /nfs/dbraw/zinc/50/46/48/455504648.db2.gz MPAHZTNTQWIJEM-UHFFFAOYSA-N 0 0 348.790 3.366 10 5 EGBERN C[C@H]1CCc2ccccc2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151485498 454992081 /nfs/dbraw/zinc/99/20/81/454992081.db2.gz MTWYCXHRSMKQGS-ZDUSSCGKSA-N 0 0 346.408 3.266 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCC1CC1 ZINC000128177042 455031781 /nfs/dbraw/zinc/03/17/81/455031781.db2.gz FCYQJJAOVTVPHA-UHFFFAOYSA-N 0 0 334.419 3.461 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000151940178 455051046 /nfs/dbraw/zinc/05/10/46/455051046.db2.gz UIYQVPRPDZCPIG-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000156022420 455073307 /nfs/dbraw/zinc/07/33/07/455073307.db2.gz RISWWSLNEOUZMB-MRXNPFEDSA-N 0 0 345.355 3.410 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccs2)C1 ZINC000152128022 455076131 /nfs/dbraw/zinc/07/61/31/455076131.db2.gz WUVSDFZYAOEXLP-ZDUSSCGKSA-N 0 0 333.369 3.262 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000156093000 455080592 /nfs/dbraw/zinc/08/05/92/455080592.db2.gz ZPWLJVCOHYVKFU-SNVBAGLBSA-N 0 0 336.373 3.333 10 5 EGBERN C[C@]1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000152421532 455116812 /nfs/dbraw/zinc/11/68/12/455116812.db2.gz MTXNHOMVRMCNTH-OAHLLOKOSA-N 0 0 333.369 3.226 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152435801 455118939 /nfs/dbraw/zinc/11/89/39/455118939.db2.gz RWSUTOAOBSQQLT-DYVFJYSZSA-N 0 0 333.388 3.062 10 5 EGBERN CCCc1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000129974750 455136444 /nfs/dbraw/zinc/13/64/44/455136444.db2.gz JIYRHZNUYQKFPV-UHFFFAOYSA-N 0 0 331.357 3.132 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000172587498 455163042 /nfs/dbraw/zinc/16/30/42/455163042.db2.gz YOBZYHVJTXZZTB-STQMWFEESA-N 0 0 338.429 3.466 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263990963 455178916 /nfs/dbraw/zinc/17/89/16/455178916.db2.gz BJZZGZJOGLAOJO-OAHLLOKOSA-N 0 0 341.367 3.145 10 5 EGBERN COc1cccc2c1N(C(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000172766155 455185300 /nfs/dbraw/zinc/18/53/00/455185300.db2.gz NGRHNGNKDUZUFN-UHFFFAOYSA-N 0 0 326.352 3.125 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879974 455202223 /nfs/dbraw/zinc/20/22/23/455202223.db2.gz OALGHQWHXZNGJU-NWDGAFQWSA-N 0 0 347.371 3.183 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173932774 455343099 /nfs/dbraw/zinc/34/30/99/455343099.db2.gz MFXNZXRZMCHLGI-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2c(F)cccc2OC)c1 ZINC000174463771 455393499 /nfs/dbraw/zinc/39/34/99/455393499.db2.gz JVTDOFIFLDZXMO-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN CSC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182285713 455480320 /nfs/dbraw/zinc/48/03/20/455480320.db2.gz CJMXCQFVLMSAJN-ZETCQYMHSA-N 0 0 333.207 3.295 10 5 EGBERN CC[C@H](C)Oc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191572123 455498652 /nfs/dbraw/zinc/49/86/52/455498652.db2.gz XFJWDUGGIPUNFB-NSHDSACASA-N 0 0 332.360 3.241 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000246487912 455499121 /nfs/dbraw/zinc/49/91/21/455499121.db2.gz JWIZKCAFSDJWGW-KCXAZCMYSA-N 0 0 340.807 3.017 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC3(CCCCC3)CC2)n1 ZINC000191721549 455513403 /nfs/dbraw/zinc/51/34/03/455513403.db2.gz APTZHNHPXBQNAK-UHFFFAOYSA-N 0 0 334.420 3.434 10 5 EGBERN CCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185170131 455514777 /nfs/dbraw/zinc/51/47/77/455514777.db2.gz VXOIMGOFVGVQQQ-UHFFFAOYSA-N 0 0 342.399 3.432 10 5 EGBERN CCCn1nccc1NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000185216391 455522666 /nfs/dbraw/zinc/52/26/66/455522666.db2.gz NQNXNRNPKFGDGR-CQSZACIVSA-N 0 0 330.388 3.409 10 5 EGBERN CCc1cnccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000182552552 455539780 /nfs/dbraw/zinc/53/97/80/455539780.db2.gz HSJCACXFCVMUKG-UHFFFAOYSA-N 0 0 327.384 3.305 10 5 EGBERN CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)OC(C)(C)C ZINC000161319358 455558952 /nfs/dbraw/zinc/55/89/52/455558952.db2.gz YEAQJPAXQBXWIA-ZDUSSCGKSA-N 0 0 336.388 3.143 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000247306462 455585679 /nfs/dbraw/zinc/58/56/79/455585679.db2.gz GVZBMGKEPQVJIE-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000247321752 455587551 /nfs/dbraw/zinc/58/75/51/455587551.db2.gz LVRKAVAZSPYFNF-AWEZNQCLSA-N 0 0 325.368 3.450 10 5 EGBERN COc1cc(N[C@H](C)COCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000268178998 455610975 /nfs/dbraw/zinc/61/09/75/455610975.db2.gz SLBQQWXHZYEWDJ-SSDOTTSWSA-N 0 0 326.246 3.122 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000268215327 455621456 /nfs/dbraw/zinc/62/14/56/455621456.db2.gz LAWXLSMKYITDNU-CYBMUJFWSA-N 0 0 342.351 3.374 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000268231734 455625578 /nfs/dbraw/zinc/62/55/78/455625578.db2.gz FWWMKJWQUZLDIG-PXAZEXFGSA-N 0 0 328.372 3.081 10 5 EGBERN COc1ccccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104700 455636829 /nfs/dbraw/zinc/63/68/29/455636829.db2.gz MSQXYJGMJPISPH-NSHDSACASA-N 0 0 331.328 3.362 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccs2)C1 ZINC000268423973 455679637 /nfs/dbraw/zinc/67/96/37/455679637.db2.gz YIOKWNBARSEQGS-OAHLLOKOSA-N 0 0 334.397 3.381 10 5 EGBERN COC(=O)c1cc(N[C@H](C)Cc2c(C)noc2C)cc(C)c1[N+](=O)[O-] ZINC000268449764 455685448 /nfs/dbraw/zinc/68/54/48/455685448.db2.gz AHMFUCQCXJOCIB-SNVBAGLBSA-N 0 0 347.371 3.338 10 5 EGBERN COC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccc(C)o1 ZINC000268457461 455687543 /nfs/dbraw/zinc/68/75/43/455687543.db2.gz CTOYWSMSSDIWMB-AWEZNQCLSA-N 0 0 348.355 3.391 10 5 EGBERN Cc1nc(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268476495 455693676 /nfs/dbraw/zinc/69/36/76/455693676.db2.gz KNQDIJDWUVLXMA-ZBEGNZNMSA-N 0 0 331.347 3.404 10 5 EGBERN Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000192806615 455697222 /nfs/dbraw/zinc/69/72/22/455697222.db2.gz JZQXYQSMGJOCMJ-CYBMUJFWSA-N 0 0 331.372 3.484 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248517084 455718080 /nfs/dbraw/zinc/71/80/80/455718080.db2.gz HOBZSYNVSWVWOI-XKQJLSEDSA-N 0 0 348.399 3.081 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2[N+](=O)[O-])cs1 ZINC000186219798 455719603 /nfs/dbraw/zinc/71/96/03/455719603.db2.gz DURXKIUZCCPJRG-HNNXBMFYSA-N 0 0 346.412 3.406 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000268943389 455739052 /nfs/dbraw/zinc/73/90/52/455739052.db2.gz GINUSHAFHHFLQD-YVZNUBBCSA-N 0 0 346.383 3.295 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292715133 455739336 /nfs/dbraw/zinc/73/93/36/455739336.db2.gz FLVPMQYHMDCCKO-GXTWGEPZSA-N 0 0 342.367 3.434 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000292775218 455754372 /nfs/dbraw/zinc/75/43/72/455754372.db2.gz LLENGSQUGSTTBE-OCCSQVGLSA-N 0 0 325.315 3.412 10 5 EGBERN CC[C@@]1(CO)CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000278270193 455801997 /nfs/dbraw/zinc/80/19/97/455801997.db2.gz ARVBRALZZGNOLT-MRXNPFEDSA-N 0 0 340.807 3.181 10 5 EGBERN C[C@H](Cc1nc(-c2ccccc2)no1)Nc1ncc([N+](=O)[O-])s1 ZINC000252508903 455817334 /nfs/dbraw/zinc/81/73/34/455817334.db2.gz XXCQWMGBZHQCPT-SECBINFHSA-N 0 0 331.357 3.144 10 5 EGBERN Cc1sc(C(=O)N(Cc2ccccc2)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000272033156 455826000 /nfs/dbraw/zinc/82/60/00/455826000.db2.gz WXBFHUAVMXJSDT-UHFFFAOYSA-N 0 0 348.424 3.378 10 5 EGBERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272069934 455837941 /nfs/dbraw/zinc/83/79/41/455837941.db2.gz FCFFPOPIJZJLCC-WDEREUQCSA-N 0 0 330.388 3.306 10 5 EGBERN CC(=O)Nc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000253396632 455839585 /nfs/dbraw/zinc/83/95/85/455839585.db2.gz VVCPPQMMEAYMEV-UHFFFAOYSA-N 0 0 349.293 3.392 10 5 EGBERN CC[C@@H](NC(=O)NCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000279493755 455865255 /nfs/dbraw/zinc/86/52/55/455865255.db2.gz JKZTWSUQVZZQQH-QGZVFWFLSA-N 0 0 342.399 3.291 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000187145021 455873827 /nfs/dbraw/zinc/87/38/27/455873827.db2.gz XRJJVWMXRFAISB-SNVBAGLBSA-N 0 0 327.768 3.327 10 5 EGBERN CC(C)c1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1C ZINC000194696851 455874949 /nfs/dbraw/zinc/87/49/49/455874949.db2.gz CPAYRTPNYGDNIU-UHFFFAOYSA-N 0 0 344.293 3.445 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)COCc1ccccc1 ZINC000194769752 455881228 /nfs/dbraw/zinc/88/12/28/455881228.db2.gz FQCRKGFTDALLRH-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN Cc1c(NCc2ccnn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280418924 455967941 /nfs/dbraw/zinc/96/79/41/455967941.db2.gz QNLNUHKVRICSTF-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1cc[nH]n1 ZINC000286093213 455975823 /nfs/dbraw/zinc/97/58/23/455975823.db2.gz UAFZUZKTPCFGBC-INIZCTEOSA-N 0 0 339.355 3.167 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188190791 456018185 /nfs/dbraw/zinc/01/81/85/456018185.db2.gz WLXXFVYXWJZMJW-MRXNPFEDSA-N 0 0 349.431 3.472 10 5 EGBERN CCN(CC)C(=O)c1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601104359 460712000 /nfs/dbraw/zinc/71/20/00/460712000.db2.gz UGHPZCCEAZKIRB-UHFFFAOYSA-N 0 0 346.362 3.223 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(COc2ccccc2)CC1 ZINC000601106407 460713790 /nfs/dbraw/zinc/71/37/90/460713790.db2.gz QTWZQHVGCJMPRJ-UHFFFAOYSA-N 0 0 331.347 3.424 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000301347310 456096153 /nfs/dbraw/zinc/09/61/53/456096153.db2.gz KDIMGEMPQZVQIE-JCURWCKSSA-N 0 0 327.384 3.393 10 5 EGBERN Cc1ccc(NCCCNc2ccnc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000301378963 456103061 /nfs/dbraw/zinc/10/30/61/456103061.db2.gz XTRVVYFKYLKKNI-UHFFFAOYSA-N 0 0 327.388 3.485 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000227136679 456113490 /nfs/dbraw/zinc/11/34/90/456113490.db2.gz WPEMGKTVGWDHHI-NSHDSACASA-N 0 0 325.340 3.155 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000227136672 456113503 /nfs/dbraw/zinc/11/35/03/456113503.db2.gz WPEMGKTVGWDHHI-LLVKDONJSA-N 0 0 325.340 3.155 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(c2nnc3ccccn32)CC1 ZINC000301448992 456119040 /nfs/dbraw/zinc/11/90/40/456119040.db2.gz RTCHAKMAXPONJE-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN C[C@@H]1CCC2=C(C1)S[C@@H]1N=C(c3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H]21 ZINC000229930106 456131345 /nfs/dbraw/zinc/13/13/45/456131345.db2.gz TVRAEWKKMVAULM-AEYAVQINSA-N 0 0 343.408 3.234 10 5 EGBERN COc1cc(N(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000301612021 456162216 /nfs/dbraw/zinc/16/22/16/456162216.db2.gz FJSIGLUALLXLFX-UHFFFAOYSA-N 0 0 334.303 3.108 10 5 EGBERN COc1cc(N[C@@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000301626594 456167567 /nfs/dbraw/zinc/16/75/67/456167567.db2.gz GWMMXXSSNBMLSU-VIFPVBQESA-N 0 0 336.367 3.136 10 5 EGBERN CC[C@H](c1ccncc1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601122160 460718136 /nfs/dbraw/zinc/71/81/36/460718136.db2.gz SLPBGJFVPSDTHC-SNVBAGLBSA-N 0 0 343.309 3.330 10 5 EGBERN CCO[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C12CCC2 ZINC000301700916 456191056 /nfs/dbraw/zinc/19/10/56/456191056.db2.gz SKYCJXTXQMSEJN-GJZGRUSLSA-N 0 0 348.399 3.449 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@@H]2O)c1 ZINC000301764330 456209181 /nfs/dbraw/zinc/20/91/81/456209181.db2.gz NCSALEWWHDQASI-ABAIWWIYSA-N 0 0 326.368 3.486 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000281377421 456217334 /nfs/dbraw/zinc/21/73/34/456217334.db2.gz OWQBPOBMMZDKPE-OAHLLOKOSA-N 0 0 347.350 3.227 10 5 EGBERN COC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc(C)o1 ZINC000601125222 460720000 /nfs/dbraw/zinc/72/00/00/460720000.db2.gz YGIBIMHEZUPQPP-MRVPVSSYSA-N 0 0 348.281 3.048 10 5 EGBERN CC[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000301906323 456247632 /nfs/dbraw/zinc/24/76/32/456247632.db2.gz ZFBBIVIZPBRGGW-VIFPVBQESA-N 0 0 335.301 3.039 10 5 EGBERN Cc1cc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908887 456247986 /nfs/dbraw/zinc/24/79/86/456247986.db2.gz RMWRYWPZRQBMMD-PBHICJAKSA-N 0 0 348.353 3.434 10 5 EGBERN CO[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(Cl)c1 ZINC000301958898 456259329 /nfs/dbraw/zinc/25/93/29/456259329.db2.gz GOQMBTFMOXZVHZ-GFCCVEGCSA-N 0 0 347.762 3.091 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000302004562 456267408 /nfs/dbraw/zinc/26/74/08/456267408.db2.gz KIKFYXCFZJXTOY-HNNXBMFYSA-N 0 0 346.358 3.190 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2nc(C)sc21 ZINC000302054771 456277010 /nfs/dbraw/zinc/27/70/10/456277010.db2.gz YXTUTZPTGRKSMX-CQSZACIVSA-N 0 0 346.412 3.209 10 5 EGBERN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1CO ZINC000342906603 456305697 /nfs/dbraw/zinc/30/56/97/456305697.db2.gz VWYPFLMLEQNXQF-UHFFFAOYSA-N 0 0 342.307 3.094 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)c1cccnc1 ZINC000281763240 456314378 /nfs/dbraw/zinc/31/43/78/456314378.db2.gz SRTQZIXBHZNDGZ-AWEZNQCLSA-N 0 0 343.383 3.287 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1scnc1C1CC1 ZINC000342936527 456323987 /nfs/dbraw/zinc/32/39/87/456323987.db2.gz CDPAZXJJKSPSDC-UHFFFAOYSA-N 0 0 348.384 3.259 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000337067137 456324330 /nfs/dbraw/zinc/32/43/30/456324330.db2.gz WZLNNWOAKQFNSP-LBPRGKRZSA-N 0 0 348.371 3.020 10 5 EGBERN CCOC(=O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000281823344 456332859 /nfs/dbraw/zinc/33/28/59/456332859.db2.gz LVCMSTQKPKIMOA-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCC(F)(F)C1 ZINC000340239180 456333253 /nfs/dbraw/zinc/33/32/53/456333253.db2.gz JVERUJFIJZVVGD-LLVKDONJSA-N 0 0 337.326 3.313 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ccncc2C)c([N+](=O)[O-])c1 ZINC000302482796 456348005 /nfs/dbraw/zinc/34/80/05/456348005.db2.gz XXULNFUONQFODK-GQCTYLIASA-N 0 0 327.340 3.097 10 5 EGBERN CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000302520408 456353635 /nfs/dbraw/zinc/35/36/35/456353635.db2.gz AXNQXJHFRDBBJU-UHFFFAOYSA-N 0 0 336.417 3.232 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCOCC(C)C ZINC000275961244 456358718 /nfs/dbraw/zinc/35/87/18/456358718.db2.gz VVMGKQQYSBQOIJ-UHFFFAOYSA-N 0 0 328.796 3.349 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000290561460 456364215 /nfs/dbraw/zinc/36/42/15/456364215.db2.gz AJSZILRVALTTEM-QMMMGPOBSA-N 0 0 326.740 3.341 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000302605205 456364595 /nfs/dbraw/zinc/36/45/95/456364595.db2.gz DBPIIYSRBKQEFZ-DZGCQCFKSA-N 0 0 346.408 3.214 10 5 EGBERN COCC[C@@H](c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785716 456366482 /nfs/dbraw/zinc/36/64/82/456366482.db2.gz NYBISTQYFLFESM-SFHVURJKSA-N 0 0 327.384 3.126 10 5 EGBERN O=[N+]([O-])c1cnc(N(CCO)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000302695728 456376570 /nfs/dbraw/zinc/37/65/70/456376570.db2.gz DNTUTSSVTCYHBP-UHFFFAOYSA-N 0 0 342.182 3.296 10 5 EGBERN CCc1cc(N[C@@H](C)[C@@H](C)OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302721992 456383075 /nfs/dbraw/zinc/38/30/75/456383075.db2.gz PSTZEULZODKRGK-NWDGAFQWSA-N 0 0 330.388 3.450 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1noc(COC(C)C)n1 ZINC000290772375 456425473 /nfs/dbraw/zinc/42/54/73/456425473.db2.gz CFNKZSJYLCKHGK-LBPRGKRZSA-N 0 0 334.376 3.062 10 5 EGBERN CC1(C)CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC2(CCCC2)O1 ZINC000302889842 456427879 /nfs/dbraw/zinc/42/78/79/456427879.db2.gz PDGWDVNLYPQWKJ-UHFFFAOYSA-N 0 0 331.416 3.491 10 5 EGBERN CC[C@H](NC(=O)N1CC(C)(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000290901682 456462746 /nfs/dbraw/zinc/46/27/46/456462746.db2.gz CKJWNZUMARYSEZ-HNNXBMFYSA-N 0 0 335.404 3.114 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1F ZINC000348124626 456501291 /nfs/dbraw/zinc/50/12/91/456501291.db2.gz NDDYSMPFYJAVOR-UHFFFAOYSA-N 0 0 325.246 3.063 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291211906 456566366 /nfs/dbraw/zinc/56/63/66/456566366.db2.gz VOKBQVVLMXZLTH-MRXNPFEDSA-N 0 0 325.368 3.481 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc2cc[nH]c2n1 ZINC000353220589 456569250 /nfs/dbraw/zinc/56/92/50/456569250.db2.gz NYLUVPKRLSXYGH-UHFFFAOYSA-N 0 0 326.356 3.160 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C(=O)[O-])CCc2c1cccc2F ZINC000340684147 456621774 /nfs/dbraw/zinc/62/17/74/456621774.db2.gz SRXSJPLRTXEUNQ-SFHVURJKSA-N 0 0 344.342 3.058 10 5 EGBERN CC(C)Oc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1C(N)=O ZINC000340700778 456636272 /nfs/dbraw/zinc/63/62/72/456636272.db2.gz LGKOKDUSDXTFLF-UHFFFAOYSA-N 0 0 329.356 3.093 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000343473812 456646511 /nfs/dbraw/zinc/64/65/11/456646511.db2.gz QWJURDZCVXOLSH-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000338000306 456647604 /nfs/dbraw/zinc/64/76/04/456647604.db2.gz BIMHTAIVOODYQJ-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H](O)CC(C)(C)C ZINC000291566279 456682633 /nfs/dbraw/zinc/68/26/33/456682633.db2.gz YNWDZLUTMIRCIR-ZDUSSCGKSA-N 0 0 342.823 3.394 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCc1cccc(OCC(F)(F)F)c1 ZINC000340871883 456731421 /nfs/dbraw/zinc/73/14/21/456731421.db2.gz OSMGGWZWSZBSEU-UHFFFAOYSA-N 0 0 341.289 3.007 10 5 EGBERN CSCCCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353527314 456736791 /nfs/dbraw/zinc/73/67/91/456736791.db2.gz KSNAFCYBXUKELT-OAHLLOKOSA-N 0 0 334.445 3.151 10 5 EGBERN CC[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000338308289 456765227 /nfs/dbraw/zinc/76/52/27/456765227.db2.gz RZMGXBKRZKPKEW-QGZVFWFLSA-N 0 0 342.399 3.457 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC(c2nc3ccccc3s2)C1 ZINC000340937033 456771214 /nfs/dbraw/zinc/77/12/14/456771214.db2.gz PNLCUYAOYVUSAG-UHFFFAOYSA-N 0 0 339.376 3.444 10 5 EGBERN C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000340957700 456783449 /nfs/dbraw/zinc/78/34/49/456783449.db2.gz IGYCREOSUMSLHC-JTQLQIEISA-N 0 0 332.743 3.308 10 5 EGBERN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2cc[nH]n2)o1 ZINC000348633440 456789061 /nfs/dbraw/zinc/78/90/61/456789061.db2.gz JYIJCXLFLFOZPA-UHFFFAOYSA-N 0 0 326.356 3.252 10 5 EGBERN COc1ccc(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000301131980 456803645 /nfs/dbraw/zinc/80/36/45/456803645.db2.gz SMUDXXJHQQSJFN-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN CCOCc1nc([C@@H](C)N[C@@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615122 456805232 /nfs/dbraw/zinc/80/52/32/456805232.db2.gz YAMOPHYVZGVDPQ-QWHCGFSZSA-N 0 0 348.403 3.186 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C3CC3)C2)cc1OC ZINC000291990680 456822725 /nfs/dbraw/zinc/82/27/25/456822725.db2.gz BERPJBLDMMMDIG-ZDUSSCGKSA-N 0 0 348.399 3.264 10 5 EGBERN CC(C)c1noc(CCCNc2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000301256776 456835023 /nfs/dbraw/zinc/83/50/23/456835023.db2.gz DRERYPCVKPUXGZ-UHFFFAOYSA-N 0 0 325.756 3.194 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000301256817 456835664 /nfs/dbraw/zinc/83/56/64/456835664.db2.gz DUCHAFCBAYWZJF-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1ccoc1CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345066935 456914754 /nfs/dbraw/zinc/91/47/54/456914754.db2.gz MQPOPXAISFNZFC-UHFFFAOYSA-N 0 0 340.282 3.370 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000341742249 456923615 /nfs/dbraw/zinc/92/36/15/456923615.db2.gz YBVYGHYBGALUPW-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CCOC(=O)C1(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000341783186 456942971 /nfs/dbraw/zinc/94/29/71/456942971.db2.gz MOIVIURBZQCAFY-UHFFFAOYSA-N 0 0 334.372 3.174 10 5 EGBERN CO[C@H](C)c1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000339137802 456959226 /nfs/dbraw/zinc/95/92/26/456959226.db2.gz WDHWNPVMLPVJLL-LLVKDONJSA-N 0 0 329.356 3.013 10 5 EGBERN CCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358887084 457023851 /nfs/dbraw/zinc/02/38/51/457023851.db2.gz MIPMZHNSMMWGCE-UHFFFAOYSA-N 0 0 342.220 3.221 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000358898920 457031146 /nfs/dbraw/zinc/03/11/46/457031146.db2.gz ITDOYFKZZJNFJY-UHFFFAOYSA-N 0 0 336.294 3.435 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1C ZINC000356753917 457150647 /nfs/dbraw/zinc/15/06/47/457150647.db2.gz ZLRGCJLHLRIGAN-KRTXAFLBSA-N 0 0 327.178 3.194 10 5 EGBERN Cc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000356865193 457185865 /nfs/dbraw/zinc/18/58/65/457185865.db2.gz IOXRKWPGVIHJRO-SNVBAGLBSA-N 0 0 345.302 3.393 10 5 EGBERN CS[C@@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342261873 457197155 /nfs/dbraw/zinc/19/71/55/457197155.db2.gz YATYZCPTIWMRFH-GXSJLCMTSA-N 0 0 344.383 3.206 10 5 EGBERN Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc2[nH]cnc21 ZINC000356909944 457214424 /nfs/dbraw/zinc/21/44/24/457214424.db2.gz KPGGBEJHIOITMP-UHFFFAOYSA-N 0 0 336.311 3.200 10 5 EGBERN CCc1n[nH]c(C2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)n1 ZINC000360048897 457224352 /nfs/dbraw/zinc/22/43/52/457224352.db2.gz ZPFUQVCLNBVOEX-UHFFFAOYSA-N 0 0 333.367 3.107 10 5 EGBERN CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000347189839 457279295 /nfs/dbraw/zinc/27/92/95/457279295.db2.gz QZELCKYIFPSSBZ-UHFFFAOYSA-N 0 0 328.166 3.374 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn[nH]c1 ZINC000357017824 457280222 /nfs/dbraw/zinc/28/02/22/457280222.db2.gz QRENLAXCCAQKOB-UHFFFAOYSA-N 0 0 348.428 3.183 10 5 EGBERN CC(C)c1ccc(-c2nc(COC[C@@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000351438501 457288350 /nfs/dbraw/zinc/28/83/50/457288350.db2.gz JSDZVPFMUPOUPG-GFCCVEGCSA-N 0 0 347.371 3.321 10 5 EGBERN COCc1ccsc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355688851 457400694 /nfs/dbraw/zinc/40/06/94/457400694.db2.gz JSIBZVDGFQADIO-UHFFFAOYSA-N 0 0 331.353 3.444 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000360907765 457426034 /nfs/dbraw/zinc/42/60/34/457426034.db2.gz SOHNUSDWUALUQC-JTQLQIEISA-N 0 0 346.412 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369846951 457428439 /nfs/dbraw/zinc/42/84/39/457428439.db2.gz OPJBJWRXSMFEGG-LSDHHAIUSA-N 0 0 332.400 3.182 10 5 EGBERN CCN(Cc1ccccc1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000360924864 457436779 /nfs/dbraw/zinc/43/67/79/457436779.db2.gz SAEMJBLKXBBCEB-UHFFFAOYSA-N 0 0 334.322 3.464 10 5 EGBERN COc1cc(CN2CCc3c(F)ccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000352545959 457455952 /nfs/dbraw/zinc/45/59/52/457455952.db2.gz NUQZNVJOHOSPAD-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2nn(C)cc2Br)c1 ZINC000393356583 457464850 /nfs/dbraw/zinc/46/48/50/457464850.db2.gz WGTGTMAQJKLPAL-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000347529424 457487916 /nfs/dbraw/zinc/48/79/16/457487916.db2.gz UCGKUEVZDXTQNN-UHFFFAOYSA-N 0 0 344.371 3.292 10 5 EGBERN COc1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000360995877 457498640 /nfs/dbraw/zinc/49/86/40/457498640.db2.gz JSGKEWVTWLLRRS-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN CC(C)COCCc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000357403959 457499339 /nfs/dbraw/zinc/49/93/39/457499339.db2.gz WIFKEHZMTRMPDP-UHFFFAOYSA-N 0 0 344.371 3.265 10 5 EGBERN CCOc1cccnc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000361040512 457535238 /nfs/dbraw/zinc/53/52/38/457535238.db2.gz WQAPADOXNFYCJG-UHFFFAOYSA-N 0 0 343.383 3.141 10 5 EGBERN Cc1sc(C(=O)N2CC[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000374232011 457535324 /nfs/dbraw/zinc/53/53/24/457535324.db2.gz ZEARRTAPUMIKQB-ZDUSSCGKSA-N 0 0 332.381 3.258 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCC[C@@H](F)C1 ZINC000425410564 457540954 /nfs/dbraw/zinc/54/09/54/457540954.db2.gz CKPYIYZRQPJTLS-GHMZBOCLSA-N 0 0 338.335 3.223 10 5 EGBERN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2F)cc(OC)c1 ZINC000352721399 457559279 /nfs/dbraw/zinc/55/92/79/457559279.db2.gz QPLUWIORRNKLQK-UHFFFAOYSA-N 0 0 334.347 3.383 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000364447323 457607516 /nfs/dbraw/zinc/60/75/16/457607516.db2.gz IUGGDBLEMXEQLH-BJRSVTDJSA-N 0 0 344.411 3.416 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374524642 457648456 /nfs/dbraw/zinc/64/84/56/457648456.db2.gz WNWFMZABICIYRO-KRWDZBQOSA-N 0 0 332.306 3.445 10 5 EGBERN CNc1c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000357685757 457656352 /nfs/dbraw/zinc/65/63/52/457656352.db2.gz HCIFRQZTYXNFRE-UKRRQHHQSA-N 0 0 325.368 3.170 10 5 EGBERN Cn1c(C(=O)N[C@@H](c2ccco2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000357691108 457658688 /nfs/dbraw/zinc/65/86/88/457658688.db2.gz WRUWBBGPWJEWDR-MRXNPFEDSA-N 0 0 325.324 3.046 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2c2cccnc2)cc(C)c1[N+](=O)[O-] ZINC000370537225 457669208 /nfs/dbraw/zinc/66/92/08/457669208.db2.gz BVILJVCHJJWVLN-INIZCTEOSA-N 0 0 341.367 3.426 10 5 EGBERN CCC(=O)c1ccc(NCCc2cccnc2OC)c([N+](=O)[O-])c1 ZINC000357784071 457688120 /nfs/dbraw/zinc/68/81/20/457688120.db2.gz PWTAYUGPXNIVIW-UHFFFAOYSA-N 0 0 329.356 3.246 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000370705790 457703837 /nfs/dbraw/zinc/70/38/37/457703837.db2.gz JFZXPUIJOQBONS-SFHVURJKSA-N 0 0 344.342 3.314 10 5 EGBERN CCOc1cccc(N2CC[C@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000364855217 457706531 /nfs/dbraw/zinc/70/65/31/457706531.db2.gz LYIFNGCSEFTLOA-OAHLLOKOSA-N 0 0 327.384 3.458 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000374815775 457712414 /nfs/dbraw/zinc/71/24/14/457712414.db2.gz DQEMPIUEDIHQKF-ZDUSSCGKSA-N 0 0 331.397 3.476 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374824278 457713403 /nfs/dbraw/zinc/71/34/03/457713403.db2.gz VUSIHNBNWDOPLO-AWEZNQCLSA-N 0 0 331.397 3.476 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000374839429 457717931 /nfs/dbraw/zinc/71/79/31/457717931.db2.gz VYZBUTBNEUEHKN-UHFFFAOYSA-N 0 0 337.379 3.254 10 5 EGBERN COC(C)(C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000361460276 457739632 /nfs/dbraw/zinc/73/96/32/457739632.db2.gz UNCGUMFJXIGCJF-UHFFFAOYSA-N 0 0 335.385 3.494 10 5 EGBERN COc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000365326100 457743012 /nfs/dbraw/zinc/74/30/12/457743012.db2.gz LVNJWGYTWLBKKH-NSHDSACASA-N 0 0 334.372 3.017 10 5 EGBERN Cc1ccc(CN(CCO)Cc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000361510729 457763218 /nfs/dbraw/zinc/76/32/18/457763218.db2.gz KVCUQZIQGKBHNB-UHFFFAOYSA-N 0 0 348.399 3.278 10 5 EGBERN CC1(C2(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 ZINC000411060846 457789436 /nfs/dbraw/zinc/78/94/36/457789436.db2.gz HPMQPPYUXYDAAF-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN COc1cc(C(=O)N[C@H](C)c2ccccc2OC)cc([N+](=O)[O-])c1C ZINC000358145610 457812793 /nfs/dbraw/zinc/81/27/93/457812793.db2.gz FYZSPXQBEVTUIE-GFCCVEGCSA-N 0 0 344.367 3.411 10 5 EGBERN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000375231521 457842602 /nfs/dbraw/zinc/84/26/02/457842602.db2.gz YPHLGIXXMCXSQM-UONOGXRCSA-N 0 0 342.399 3.368 10 5 EGBERN CC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(=O)[O-] ZINC000426640885 457869022 /nfs/dbraw/zinc/86/90/22/457869022.db2.gz VZARFLBLDWLZSF-GFCCVEGCSA-N 0 0 332.356 3.445 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000361819466 457884845 /nfs/dbraw/zinc/88/48/45/457884845.db2.gz OCONDFZRCCJQMS-JKSUJKDBSA-N 0 0 345.399 3.400 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358262844 457895676 /nfs/dbraw/zinc/89/56/76/457895676.db2.gz FUYDSDKYAXNZHL-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C)cc(C)c2)c1 ZINC000433993072 457927331 /nfs/dbraw/zinc/92/73/31/457927331.db2.gz HKXAAWPQWYUJKU-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000434342214 457978620 /nfs/dbraw/zinc/97/86/20/457978620.db2.gz QEDXMJDIPHNSTE-UHFFFAOYSA-N 0 0 331.347 3.205 10 5 EGBERN COc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000444826888 457985796 /nfs/dbraw/zinc/98/57/96/457985796.db2.gz IWZUTIUQIBXIJN-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445075882 458012660 /nfs/dbraw/zinc/01/26/60/458012660.db2.gz DSHCPDIZOJYFIR-CQSZACIVSA-N 0 0 348.424 3.155 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3C)C2)c1 ZINC000371639806 458014235 /nfs/dbraw/zinc/01/42/35/458014235.db2.gz ZAEBHTPUMBMNKK-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000362030596 458014867 /nfs/dbraw/zinc/01/48/67/458014867.db2.gz XBRRJZCSSVVZFQ-CABZTGNLSA-N 0 0 346.305 3.406 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1cnc(OC)nc1C ZINC000358487754 458032070 /nfs/dbraw/zinc/03/20/70/458032070.db2.gz UTLUQMNQDUVUDL-UHFFFAOYSA-N 0 0 335.385 3.144 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000358506625 458047154 /nfs/dbraw/zinc/04/71/54/458047154.db2.gz XKABNJNBMYVJTE-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(CCCc3ccc(C)cc3)n2)n1C ZINC000445587982 458066722 /nfs/dbraw/zinc/06/67/22/458066722.db2.gz PDAFSOQDODSUQM-UHFFFAOYSA-N 0 0 341.371 3.170 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC(c2nccc(C)n2)CC1 ZINC000371823154 458086822 /nfs/dbraw/zinc/08/68/22/458086822.db2.gz PWHMLFHBANHWFH-UHFFFAOYSA-N 0 0 342.399 3.224 10 5 EGBERN CN(Cc1cncn1Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000445800376 458089173 /nfs/dbraw/zinc/08/91/73/458089173.db2.gz XRSABDDXGSZLAR-UHFFFAOYSA-N 0 0 336.395 3.472 10 5 EGBERN COC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000358643638 458125272 /nfs/dbraw/zinc/12/52/72/458125272.db2.gz UGSUVBQMFQIBKC-MRXNPFEDSA-N 0 0 343.383 3.090 10 5 EGBERN COc1ccncc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446075796 458142426 /nfs/dbraw/zinc/14/24/26/458142426.db2.gz BLNMMSRMWKEXMX-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN Cc1ccncc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412313339 458162867 /nfs/dbraw/zinc/16/28/67/458162867.db2.gz UNPGDPOOQYQJQU-UHFFFAOYSA-N 0 0 343.383 3.358 10 5 EGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCOCC1 ZINC000369327494 458172569 /nfs/dbraw/zinc/17/25/69/458172569.db2.gz SICQCZJRGCFPOY-VIFPVBQESA-N 0 0 343.177 3.113 10 5 EGBERN CC(C)Oc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000435829099 458210591 /nfs/dbraw/zinc/21/05/91/458210591.db2.gz WLQXUNAXDYRIBF-UHFFFAOYSA-N 0 0 343.383 3.442 10 5 EGBERN O=[N+]([O-])c1cccc(OCCOc2ccnc(C(F)(F)F)c2)c1 ZINC000429315436 458316699 /nfs/dbraw/zinc/31/66/99/458316699.db2.gz FMVWRFVJSZPEMF-UHFFFAOYSA-N 0 0 328.246 3.466 10 5 EGBERN CO[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000447675588 458327706 /nfs/dbraw/zinc/32/77/06/458327706.db2.gz NFKOMSWQZSMJJC-HNNXBMFYSA-N 0 0 346.774 3.346 10 5 EGBERN CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447696241 458330784 /nfs/dbraw/zinc/33/07/84/458330784.db2.gz RLEIHBFTLQDPBZ-UHFFFAOYSA-N 0 0 328.376 3.128 10 5 EGBERN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])o1 ZINC000447715117 458332937 /nfs/dbraw/zinc/33/29/37/458332937.db2.gz PWYVCEPPMUKQRI-LLVKDONJSA-N 0 0 332.209 3.202 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000376565455 458340041 /nfs/dbraw/zinc/34/00/41/458340041.db2.gz IHMNXNCDEVAUBA-UHFFFAOYSA-N 0 0 349.456 3.063 10 5 EGBERN Cc1ccnc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000429802752 458373243 /nfs/dbraw/zinc/37/32/43/458373243.db2.gz ZFIMFXWSMDKGJZ-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN CC(=O)c1ccc(N2CCC(n3cncc3C)CC2)c([N+](=O)[O-])c1 ZINC000376742341 458381080 /nfs/dbraw/zinc/38/10/80/458381080.db2.gz NRWBKPJFOSRVFP-UHFFFAOYSA-N 0 0 328.372 3.144 10 5 EGBERN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000376805380 458392933 /nfs/dbraw/zinc/39/29/33/458392933.db2.gz UYIUBYHXYBYNKT-GJZGRUSLSA-N 0 0 342.399 3.045 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000430211493 458421710 /nfs/dbraw/zinc/42/17/10/458421710.db2.gz ALGSQDKGGYAQHA-NSHDSACASA-N 0 0 330.340 3.183 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000373466521 458500402 /nfs/dbraw/zinc/50/04/02/458500402.db2.gz PSGFWTJHPCNPIK-LJQANCHMSA-N 0 0 338.363 3.257 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000438836942 458620032 /nfs/dbraw/zinc/62/00/32/458620032.db2.gz QXJSYBLDWSPRND-LBPRGKRZSA-N 0 0 330.384 3.485 10 5 EGBERN CCOC(=O)c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000439089529 458652260 /nfs/dbraw/zinc/65/22/60/458652260.db2.gz VNSOELFPPUPYKA-KBPBESRZSA-N 0 0 348.399 3.024 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000439160819 458664297 /nfs/dbraw/zinc/66/42/97/458664297.db2.gz VQERPKCKUGTKCS-ZBFHGGJFSA-N 0 0 332.400 3.359 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470933328 458665942 /nfs/dbraw/zinc/66/59/42/458665942.db2.gz RGMABJPRDAWWFY-JQWIXIFHSA-N 0 0 345.321 3.114 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000494385144 458669597 /nfs/dbraw/zinc/66/95/97/458669597.db2.gz MKFMYISQZTVYML-GFCCVEGCSA-N 0 0 328.368 3.273 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439276536 458683247 /nfs/dbraw/zinc/68/32/47/458683247.db2.gz QKEXKNCSKRESGR-RYUDHWBXSA-N 0 0 338.791 3.137 10 5 EGBERN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000439292327 458686379 /nfs/dbraw/zinc/68/63/79/458686379.db2.gz DLCHILBFYHGKTB-CHWSQXEVSA-N 0 0 331.759 3.410 10 5 EGBERN Cc1cc(Nc2ccncc2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000503281283 458700731 /nfs/dbraw/zinc/70/07/31/458700731.db2.gz OTKHMWXXTVZWFU-CYBMUJFWSA-N 0 0 327.388 3.238 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCC[C@H]([C@@H]4CCOC4)C3)ccnc21 ZINC000432313639 458713804 /nfs/dbraw/zinc/71/38/04/458713804.db2.gz OEPLWAJKEBFIFP-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471740961 458722509 /nfs/dbraw/zinc/72/25/09/458722509.db2.gz ZCPAWTJYMBNVSJ-ZWNOBZJWSA-N 0 0 345.321 3.120 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456650779 458741704 /nfs/dbraw/zinc/74/17/04/458741704.db2.gz ZYLIISGYQORHSZ-QGZVFWFLSA-N 0 0 342.351 3.320 10 5 EGBERN CC1(C2(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)CC1 ZINC000456672259 458747918 /nfs/dbraw/zinc/74/79/18/458747918.db2.gz YQJPQUOFJFFDNH-UHFFFAOYSA-N 0 0 343.427 3.260 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000456779594 458779873 /nfs/dbraw/zinc/77/98/73/458779873.db2.gz SMCINLLPKZGDKM-GJZGRUSLSA-N 0 0 342.399 3.032 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCCOc1cccc(Cl)c1)CC2 ZINC000495514168 458871971 /nfs/dbraw/zinc/87/19/71/458871971.db2.gz IRCZQHXIMKWNNR-UHFFFAOYSA-N 0 0 347.802 3.470 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccoc1Cl ZINC000518607556 458881430 /nfs/dbraw/zinc/88/14/30/458881430.db2.gz FOONYMPIYHIATM-UHFFFAOYSA-N 0 0 333.731 3.295 10 5 EGBERN CCc1nc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)no1 ZINC000441223515 458903193 /nfs/dbraw/zinc/90/31/93/458903193.db2.gz AEPXBOHSIBRCSP-UHFFFAOYSA-N 0 0 348.403 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531600972 458944307 /nfs/dbraw/zinc/94/43/07/458944307.db2.gz AZFWQKNXCKLUIS-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531630237 458948003 /nfs/dbraw/zinc/94/80/03/458948003.db2.gz CBQBPSXIRXIIRJ-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467045329 458948918 /nfs/dbraw/zinc/94/89/18/458948918.db2.gz KEWUQJSYIAHDAT-LLVKDONJSA-N 0 0 332.447 3.308 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc3c(c2)CCC(=O)N3C)n1 ZINC000566698961 458986103 /nfs/dbraw/zinc/98/61/03/458986103.db2.gz XARDTOCVYXIWRV-UHFFFAOYSA-N 0 0 326.356 3.259 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000468236129 459010321 /nfs/dbraw/zinc/01/03/21/459010321.db2.gz XHPVWCRLFOOIMQ-QGZVFWFLSA-N 0 0 345.443 3.460 10 5 EGBERN O=C(Cc1ccc(Cl)c(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000468275503 459012007 /nfs/dbraw/zinc/01/20/07/459012007.db2.gz AIZOEASRFJDHAC-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ncc(Br)cn1 ZINC000590062352 459074359 /nfs/dbraw/zinc/07/43/59/459074359.db2.gz UAXCRMJLBBTGRA-ZCFIWIBFSA-N 0 0 329.179 3.382 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])s1)c1ncc(Br)cn1 ZINC000590062350 459074819 /nfs/dbraw/zinc/07/48/19/459074819.db2.gz UAXCRMJLBBTGRA-LURJTMIESA-N 0 0 329.179 3.382 10 5 EGBERN CCc1ccc([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000590061519 459075046 /nfs/dbraw/zinc/07/50/46/459075046.db2.gz ZBCDOWVIPYIBOE-OAHLLOKOSA-N 0 0 341.411 3.226 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000594535799 459082686 /nfs/dbraw/zinc/08/26/86/459082686.db2.gz GPNBQKUQCXGQKL-SNVBAGLBSA-N 0 0 327.356 3.307 10 5 EGBERN CCOC(=O)c1ccnc(NC[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000594598464 459104851 /nfs/dbraw/zinc/10/48/51/459104851.db2.gz HJFANUMJDGLHIK-GFCCVEGCSA-N 0 0 349.387 3.070 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000557809373 459111412 /nfs/dbraw/zinc/11/14/12/459111412.db2.gz UQEXECXRFIUNJP-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN Cc1ccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c(C)c1 ZINC000578012192 459131935 /nfs/dbraw/zinc/13/19/35/459131935.db2.gz ZCYFKMUUPAHBGV-UHFFFAOYSA-N 0 0 340.379 3.135 10 5 EGBERN Cc1c(CNC(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000479311977 459133350 /nfs/dbraw/zinc/13/33/50/459133350.db2.gz FQWFMKOWCYXPGZ-UHFFFAOYSA-N 0 0 349.337 3.223 10 5 EGBERN O=C([O-])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000594734366 459145358 /nfs/dbraw/zinc/14/53/58/459145358.db2.gz YLKQBWNQAUSSQX-BRWVUGGUSA-N 0 0 332.400 3.103 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590556988 459148436 /nfs/dbraw/zinc/14/84/36/459148436.db2.gz RAEUJHXPADGPMA-GOSISDBHSA-N 0 0 338.363 3.070 10 5 EGBERN Cc1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590557290 459148500 /nfs/dbraw/zinc/14/85/00/459148500.db2.gz VUVRAUTUAQPCDZ-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590557172 459148582 /nfs/dbraw/zinc/14/85/82/459148582.db2.gz SDCAYSCXLZFDEM-GOSISDBHSA-N 0 0 338.363 3.450 10 5 EGBERN CCc1c[nH]c(Sc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)n1 ZINC000590586691 459155132 /nfs/dbraw/zinc/15/51/32/459155132.db2.gz QNHMODBUISVGMD-UHFFFAOYSA-N 0 0 341.776 3.472 10 5 EGBERN O=C1NCCC[C@H]1Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000480034147 459178900 /nfs/dbraw/zinc/17/89/00/459178900.db2.gz JHCOTUYUFLAWQP-MRXNPFEDSA-N 0 0 327.340 3.078 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C\c2ccccc2)cc1C ZINC000480047262 459180288 /nfs/dbraw/zinc/18/02/88/459180288.db2.gz POHOFPBQSBSFDU-TWGQIWQCSA-N 0 0 346.408 3.203 10 5 EGBERN CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000558763637 459209068 /nfs/dbraw/zinc/20/90/68/459209068.db2.gz CCGNMSFIAQJHES-CQSZACIVSA-N 0 0 345.424 3.297 10 5 EGBERN CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775074 459213204 /nfs/dbraw/zinc/21/32/04/459213204.db2.gz YQKKJBGWAKMBHU-OAHLLOKOSA-N 0 0 342.399 3.139 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1nccn1CC(C)C ZINC000595029373 459222251 /nfs/dbraw/zinc/22/22/51/459222251.db2.gz XNZCBMUSLQXNCM-ZDUSSCGKSA-N 0 0 332.404 3.307 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000559002257 459230414 /nfs/dbraw/zinc/23/04/14/459230414.db2.gz VNXSNDNJUBYZRA-MSOLQXFVSA-N 0 0 325.368 3.291 10 5 EGBERN C[C@H]1CC=C(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000590862644 459250313 /nfs/dbraw/zinc/25/03/13/459250313.db2.gz UYNVIHLZYXPIEX-LBPRGKRZSA-N 0 0 327.384 3.481 10 5 EGBERN C[C@H](C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000559391303 459257116 /nfs/dbraw/zinc/25/71/16/459257116.db2.gz HSVVIUXDBZOIDK-TYILLQQXSA-N 0 0 348.443 3.392 10 5 EGBERN Cc1noc(CN2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595319757 459276618 /nfs/dbraw/zinc/27/66/18/459276618.db2.gz DLRHHZGMZAYSOD-UHFFFAOYSA-N 0 0 335.335 3.074 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595445423 459304717 /nfs/dbraw/zinc/30/47/17/459304717.db2.gz BNXOEZHVLRLQRJ-CYBMUJFWSA-N 0 0 345.374 3.473 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595445424 459305042 /nfs/dbraw/zinc/30/50/42/459305042.db2.gz BNXOEZHVLRLQRJ-ZDUSSCGKSA-N 0 0 345.374 3.473 10 5 EGBERN COc1cc(C(=O)NC[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000523503692 459309740 /nfs/dbraw/zinc/30/97/40/459309740.db2.gz HEBMQQUHILDRGU-VIFPVBQESA-N 0 0 346.330 3.227 10 5 EGBERN O=C(c1cnc(C2CC2)s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534573641 459334203 /nfs/dbraw/zinc/33/42/03/459334203.db2.gz SUISFPPMVYMFPC-UHFFFAOYSA-N 0 0 329.381 3.127 10 5 EGBERN COC1CC(CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595545104 459341785 /nfs/dbraw/zinc/34/17/85/459341785.db2.gz NSOXLMVBBCWZNE-DNOWBOINSA-N 0 0 335.404 3.079 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660886 459343195 /nfs/dbraw/zinc/34/31/95/459343195.db2.gz PFGLJHJNLPTTTN-MRXNPFEDSA-N 0 0 334.416 3.334 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnn3c2OCCC3)cc1[N+](=O)[O-] ZINC000560518249 459364519 /nfs/dbraw/zinc/36/45/19/459364519.db2.gz ALDJIEFTOYIVFW-UHFFFAOYSA-N 0 0 344.371 3.124 10 5 EGBERN CC[C@H](C)n1ncc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000582682926 459409726 /nfs/dbraw/zinc/40/97/26/459409726.db2.gz HJKUSCSHNDZGSO-JTQLQIEISA-N 0 0 347.375 3.304 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525038099 459412034 /nfs/dbraw/zinc/41/20/34/459412034.db2.gz RMNVWVSBEPFDBC-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484563899 459420577 /nfs/dbraw/zinc/42/05/77/459420577.db2.gz FBMWTHMBPIEVLZ-HNAYVOBHSA-N 0 0 342.395 3.436 10 5 EGBERN C[C@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402547 459453862 /nfs/dbraw/zinc/45/38/62/459453862.db2.gz GRIAPYYNRXWCDV-FZMZJTMJSA-N 0 0 331.347 3.055 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000561493834 459458493 /nfs/dbraw/zinc/45/84/93/459458493.db2.gz DOXTYZBISXAILU-IAGOWNOFSA-N 0 0 339.395 3.335 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOc3ccc(O)cc3C2)c(Cl)c1 ZINC000595846285 459463323 /nfs/dbraw/zinc/46/33/23/459463323.db2.gz ZKNGLPFEGFAZAY-UHFFFAOYSA-N 0 0 334.759 3.348 10 5 EGBERN CC(C)OC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000525599910 459466323 /nfs/dbraw/zinc/46/63/23/459466323.db2.gz SQMRISDJIBBYGA-UHFFFAOYSA-N 0 0 331.372 3.106 10 5 EGBERN COc1cc(CN2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000485799498 459470442 /nfs/dbraw/zinc/47/04/42/459470442.db2.gz ISMRFIXLNKDVIJ-UHFFFAOYSA-N 0 0 341.411 3.234 10 5 EGBERN CCC[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000525688544 459477291 /nfs/dbraw/zinc/47/72/91/459477291.db2.gz QYGSKMQDGGDJGM-CYBMUJFWSA-N 0 0 341.433 3.017 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](OC(F)F)C1)CCCC2 ZINC000591928741 459489077 /nfs/dbraw/zinc/48/90/77/459489077.db2.gz CAALPGHUCSLYMT-LLVKDONJSA-N 0 0 327.331 3.077 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1CSc2ccccc2O1 ZINC000591967948 459499696 /nfs/dbraw/zinc/49/96/96/459499696.db2.gz WQLQPPLSEZGJBG-GFCCVEGCSA-N 0 0 348.428 3.475 10 5 EGBERN CC[C@H](NC(=O)NCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000591974446 459502213 /nfs/dbraw/zinc/50/22/13/459502213.db2.gz IORIRUCAPLGZLF-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@H]2CCCC[C@@H]12 ZINC000583231415 459505326 /nfs/dbraw/zinc/50/53/26/459505326.db2.gz LZNBJBRHHGPTTJ-KCXAZCMYSA-N 0 0 341.415 3.405 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@@H]1SC ZINC000591991087 459507187 /nfs/dbraw/zinc/50/71/87/459507187.db2.gz QQNXPNDVKJZYFC-FMKPAKJESA-N 0 0 333.413 3.464 10 5 EGBERN CCCOc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596077845 459511464 /nfs/dbraw/zinc/51/14/64/459511464.db2.gz CEFKSRDJVSWHFH-UHFFFAOYSA-N 0 0 333.344 3.105 10 5 EGBERN CCCCC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000486689553 459514641 /nfs/dbraw/zinc/51/46/41/459514641.db2.gz IWQREQXJABTFJB-NSHDSACASA-N 0 0 332.447 3.390 10 5 EGBERN CCOC(=O)c1ccnc(N(C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000486785786 459519717 /nfs/dbraw/zinc/51/97/17/459519717.db2.gz FEHOCMVTWAMNRY-UHFFFAOYSA-N 0 0 347.346 3.250 10 5 EGBERN COc1cc(NC2CCC(NC(C)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596111183 459525719 /nfs/dbraw/zinc/52/57/19/459525719.db2.gz WOCONNDFHPFONT-UHFFFAOYSA-N 0 0 341.795 3.116 10 5 EGBERN CC[C@@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145908 459536382 /nfs/dbraw/zinc/53/63/82/459536382.db2.gz RZNHZYSTBGQMDB-UWVGGRQHSA-N 0 0 344.795 3.244 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H](C)CO2)c1 ZINC000596153528 459540053 /nfs/dbraw/zinc/54/00/53/459540053.db2.gz HCUHSLFMVOJZOG-BBRMVZONSA-N 0 0 342.399 3.155 10 5 EGBERN COCC[C@@H](Cc1ccco1)Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000542261868 459540906 /nfs/dbraw/zinc/54/09/06/459540906.db2.gz WFXKMSOVIOWFCP-NSHDSACASA-N 0 0 338.335 3.395 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2n(C)c1=O ZINC000570003018 459545277 /nfs/dbraw/zinc/54/52/77/459545277.db2.gz XLZYWURAHXTZCG-UHFFFAOYSA-N 0 0 337.379 3.079 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@H]1CCCO1 ZINC000596175556 459548142 /nfs/dbraw/zinc/54/81/42/459548142.db2.gz UHABXYATRGKTHL-BXKDBHETSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C(C)C)C1(CO)CC=CC1 ZINC000592211835 459550882 /nfs/dbraw/zinc/55/08/82/459550882.db2.gz WQRBAMCAOGPUSG-MRXNPFEDSA-N 0 0 347.415 3.378 10 5 EGBERN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000592245345 459559629 /nfs/dbraw/zinc/55/96/29/459559629.db2.gz GXQUHMSXECMFHY-QWHCGFSZSA-N 0 0 332.404 3.092 10 5 EGBERN CO[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000596203505 459559848 /nfs/dbraw/zinc/55/98/48/459559848.db2.gz OLDBHMTYQHXTSP-BXKDBHETSA-N 0 0 329.194 3.219 10 5 EGBERN COc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223612 459566248 /nfs/dbraw/zinc/56/62/48/459566248.db2.gz PTKKESKTPSHDBO-PSLIRLAXSA-N 0 0 326.780 3.261 10 5 EGBERN Cc1ccccc1[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596227758 459567227 /nfs/dbraw/zinc/56/72/27/459567227.db2.gz UBNLUFZDWNQIIF-GOSISDBHSA-N 0 0 343.358 3.077 10 5 EGBERN CCC[C@@H](C)C(=O)NCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596240218 459572306 /nfs/dbraw/zinc/57/23/06/459572306.db2.gz UNAMTOJWLLFIIU-SNVBAGLBSA-N 0 0 343.811 3.221 10 5 EGBERN C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[C@H]1C ZINC000596247665 459573858 /nfs/dbraw/zinc/57/38/58/459573858.db2.gz KQAWAQYXWUCGOT-BQBZGAKWSA-N 0 0 325.237 3.489 10 5 EGBERN COc1cc(NCc2nn(C)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000596255131 459575634 /nfs/dbraw/zinc/57/56/34/459575634.db2.gz PBOOWTMZQVOUST-UHFFFAOYSA-N 0 0 331.159 3.256 10 5 EGBERN CCO[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596260567 459578304 /nfs/dbraw/zinc/57/83/04/459578304.db2.gz KPKJUNRNRBNWFK-BXKDBHETSA-N 0 0 342.779 3.404 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596272324 459581137 /nfs/dbraw/zinc/58/11/37/459581137.db2.gz XPPMMUJAJVGSLT-BBBLOLIVSA-N 0 0 342.779 3.260 10 5 EGBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCC(F)(F)C1 ZINC000596279167 459582740 /nfs/dbraw/zinc/58/27/40/459582740.db2.gz WNFWFPMZNHDKLM-GFCCVEGCSA-N 0 0 337.326 3.291 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)CO1 ZINC000596290579 459586808 /nfs/dbraw/zinc/58/68/08/459586808.db2.gz RUTZSXFCNVBPPW-VHSXEESVSA-N 0 0 342.779 3.039 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NCCC1(CO)CCC1 ZINC000596296411 459587329 /nfs/dbraw/zinc/58/73/29/459587329.db2.gz VNEOBOHCIUCEBZ-UHFFFAOYSA-N 0 0 329.194 3.322 10 5 EGBERN O=C1CC(C2CCCC2)CC(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000596305900 459589702 /nfs/dbraw/zinc/58/97/02/459589702.db2.gz CMZFLMOTVSIXMH-UHFFFAOYSA-N 0 0 330.384 3.093 10 5 EGBERN CO[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596318572 459594158 /nfs/dbraw/zinc/59/41/58/459594158.db2.gz OLTIAGYUWDTKLT-TVQRCGJNSA-N 0 0 334.294 3.077 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000596317627 459594707 /nfs/dbraw/zinc/59/47/07/459594707.db2.gz YUUDCHZMJQYNKC-GFCCVEGCSA-N 0 0 332.791 3.004 10 5 EGBERN CO[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000596319684 459594906 /nfs/dbraw/zinc/59/49/06/459594906.db2.gz ZPDDNSNUDQNCMT-QPUJVOFHSA-N 0 0 335.187 3.365 10 5 EGBERN Cc1cc(N[C@@H](CO)C2CCC2)c(Br)cc1[N+](=O)[O-] ZINC000596323356 459596035 /nfs/dbraw/zinc/59/60/35/459596035.db2.gz JSFGARMBRQRMBO-LBPRGKRZSA-N 0 0 329.194 3.239 10 5 EGBERN CC[C@H](COCC1CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596326795 459597116 /nfs/dbraw/zinc/59/71/16/459597116.db2.gz LSWBITSZTIAPCJ-CYBMUJFWSA-N 0 0 333.388 3.097 10 5 EGBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCOCC1 ZINC000596330760 459598400 /nfs/dbraw/zinc/59/84/00/459598400.db2.gz UKMVQMNAMGAHPL-GFCCVEGCSA-N 0 0 346.330 3.050 10 5 EGBERN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000572935810 459598559 /nfs/dbraw/zinc/59/85/59/459598559.db2.gz BLKROIBXEXBSRS-CTYIDZIISA-N 0 0 341.367 3.017 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ncnn21 ZINC000596342627 459602375 /nfs/dbraw/zinc/60/23/75/459602375.db2.gz IBFVZJPGVIEMQA-OIBJUYFYSA-N 0 0 338.165 3.067 10 5 EGBERN C[S@](=O)[C@@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596365167 459608642 /nfs/dbraw/zinc/60/86/42/459608642.db2.gz HAJNYFJRHUYGPL-MNPDGNRJSA-N 0 0 333.413 3.245 10 5 EGBERN NC(=O)c1cc(N2CC3(CCCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596435695 459635354 /nfs/dbraw/zinc/63/53/54/459635354.db2.gz GDEPPCZMHBGDQE-MRXNPFEDSA-N 0 0 341.367 3.408 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596435068 459635950 /nfs/dbraw/zinc/63/59/50/459635950.db2.gz AOSUYIQVMWAIJB-SNVBAGLBSA-N 0 0 328.315 3.344 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596455711 459642570 /nfs/dbraw/zinc/64/25/70/459642570.db2.gz WIXLOSDQAYKSAA-KBPBESRZSA-N 0 0 342.399 3.462 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@](O)(C3CC3)C2)nc1-c1ccccc1 ZINC000596464298 459645960 /nfs/dbraw/zinc/64/59/60/459645960.db2.gz WAZSBJPAXQNFET-IBGZPJMESA-N 0 0 339.395 3.398 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000596481322 459651027 /nfs/dbraw/zinc/65/10/27/459651027.db2.gz AFXXSSLPECIQMY-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000596482914 459652072 /nfs/dbraw/zinc/65/20/72/459652072.db2.gz MMAUNMWLYBVPPK-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596482241 459652487 /nfs/dbraw/zinc/65/24/87/459652487.db2.gz HUQHUZPRTFXHNU-SJORKVTESA-N 0 0 343.383 3.475 10 5 EGBERN C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1F ZINC000543436226 459656698 /nfs/dbraw/zinc/65/66/98/459656698.db2.gz GHDMFZSMWWSOOF-JTQLQIEISA-N 0 0 344.321 3.454 10 5 EGBERN CC1(C)[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1(F)F ZINC000596512265 459662069 /nfs/dbraw/zinc/66/20/69/459662069.db2.gz BUGUDEKEUYAZPS-MRVPVSSYSA-N 0 0 336.136 3.456 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1(c2cccc(F)c2)CCC1 ZINC000592675446 459662234 /nfs/dbraw/zinc/66/22/34/459662234.db2.gz DVSROSKIXHVCIL-UHFFFAOYSA-N 0 0 344.342 3.308 10 5 EGBERN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CC(F)F ZINC000592673797 459662381 /nfs/dbraw/zinc/66/23/81/459662381.db2.gz YPVCMZLXLJJYSD-VIFPVBQESA-N 0 0 325.315 3.026 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000592679519 459663412 /nfs/dbraw/zinc/66/34/12/459663412.db2.gz TYCZIXBEJVNRCV-CZUORRHYSA-N 0 0 326.352 3.137 10 5 EGBERN CC(C)(C)C(F)(F)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596543424 459670976 /nfs/dbraw/zinc/67/09/76/459670976.db2.gz UMSQPFDWFVEDKQ-UHFFFAOYSA-N 0 0 336.360 3.092 10 5 EGBERN CC(=O)c1cc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596553776 459673974 /nfs/dbraw/zinc/67/39/74/459673974.db2.gz HIFAICJLXSAGAU-SKDRFNHKSA-N 0 0 346.305 3.344 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)n1 ZINC000596553797 459674039 /nfs/dbraw/zinc/67/40/39/459674039.db2.gz HMSAXVYJAMZWEA-QWRGUYRKSA-N 0 0 333.310 3.153 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1Oc1cc(CO)cc(C(F)(F)F)c1 ZINC000596559586 459676776 /nfs/dbraw/zinc/67/67/76/459676776.db2.gz OKHFHYJXLGIUAT-UHFFFAOYSA-N 0 0 345.277 3.423 10 5 EGBERN CCc1nn(C)c(Oc2cc(CO)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596560203 459676978 /nfs/dbraw/zinc/67/69/78/459676978.db2.gz ZTXCOPOCOACNRA-UHFFFAOYSA-N 0 0 345.277 3.194 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592734168 459679034 /nfs/dbraw/zinc/67/90/34/459679034.db2.gz HMULNVSTMLHPTG-MRBYEJRBSA-N 0 0 338.791 3.320 10 5 EGBERN C[C@@]1(C(F)F)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000596571920 459681040 /nfs/dbraw/zinc/68/10/40/459681040.db2.gz JLNVTRUZFXUTFI-LBPRGKRZSA-N 0 0 340.248 3.474 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000543675611 459682125 /nfs/dbraw/zinc/68/21/25/459682125.db2.gz OCQWFIPAWBWKBT-KBPBESRZSA-N 0 0 338.429 3.022 10 5 EGBERN C[C@@]1(C(F)F)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596573093 459682364 /nfs/dbraw/zinc/68/23/64/459682364.db2.gz UCWFZDKNAAVFEF-LBPRGKRZSA-N 0 0 340.248 3.474 10 5 EGBERN CCCCCc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)n[nH]1 ZINC000596596839 459690932 /nfs/dbraw/zinc/69/09/32/459690932.db2.gz VSMMTOZGPXOQAF-UHFFFAOYSA-N 0 0 342.359 3.086 10 5 EGBERN Cn1ncc2c1CC(C)(C)CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000596599410 459692185 /nfs/dbraw/zinc/69/21/85/459692185.db2.gz SNSGPMSYGSLTDP-UHFFFAOYSA-N 0 0 332.379 3.052 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1C1CC1 ZINC000592827928 459699565 /nfs/dbraw/zinc/69/95/65/459699565.db2.gz IUONAPGHMNZVCU-UHFFFAOYSA-N 0 0 329.360 3.026 10 5 EGBERN CC[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C(=O)OC ZINC000592861535 459705503 /nfs/dbraw/zinc/70/55/03/459705503.db2.gz AOYOOTZEKQSPSW-ZDUSSCGKSA-N 0 0 336.391 3.317 10 5 EGBERN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000596639615 459710845 /nfs/dbraw/zinc/71/08/45/459710845.db2.gz XKSQGLFMQUMZTB-MEBBXXQBSA-N 0 0 343.330 3.180 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC12CC=CC2 ZINC000592899984 459716243 /nfs/dbraw/zinc/71/62/43/459716243.db2.gz GKODZIPKQNVBRQ-MRXNPFEDSA-N 0 0 340.383 3.288 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592948834 459723392 /nfs/dbraw/zinc/72/33/92/459723392.db2.gz CKNRXHLHLWWEIT-UHFFFAOYSA-N 0 0 330.388 3.088 10 5 EGBERN O=C([C@H]1C[C@@H]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593006529 459737465 /nfs/dbraw/zinc/73/74/65/459737465.db2.gz GBIUKAZMQSQLTI-CVEARBPZSA-N 0 0 343.427 3.070 10 5 EGBERN CCc1nc([C@@H](C)NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000593024555 459745442 /nfs/dbraw/zinc/74/54/42/459745442.db2.gz MWVUQCAFUBYDPY-SNVBAGLBSA-N 0 0 349.412 3.251 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2c(C)noc2C)c1 ZINC000593029132 459745779 /nfs/dbraw/zinc/74/57/79/459745779.db2.gz UNIGLTWAFUBEKL-UHFFFAOYSA-N 0 0 347.371 3.011 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593090591 459770621 /nfs/dbraw/zinc/77/06/21/459770621.db2.gz APGAHJZMDXDVIM-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000596823483 459771647 /nfs/dbraw/zinc/77/16/47/459771647.db2.gz QALQNNJZRGNQLO-DYVFJYSZSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000596835856 459774398 /nfs/dbraw/zinc/77/43/98/459774398.db2.gz ABOMFCAPDQRGMX-UHFFFAOYSA-N 0 0 349.387 3.017 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596841979 459776194 /nfs/dbraw/zinc/77/61/94/459776194.db2.gz KZPAMHLXFCTBAA-NSHDSACASA-N 0 0 347.293 3.088 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000596844373 459776773 /nfs/dbraw/zinc/77/67/73/459776773.db2.gz XASFOKFQDCPELT-ZUZCIYMTSA-N 0 0 343.330 3.180 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000596888909 459788430 /nfs/dbraw/zinc/78/84/30/459788430.db2.gz CGHFMIXPTVXJNQ-DGCLKSJQSA-N 0 0 337.376 3.073 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000596900872 459790545 /nfs/dbraw/zinc/79/05/45/459790545.db2.gz ZOOJCKOINRAWKV-IUCAKERBSA-N 0 0 340.177 3.231 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)s1 ZINC000584731814 459792596 /nfs/dbraw/zinc/79/25/96/459792596.db2.gz CPWMEQSRXBNITL-UHFFFAOYSA-N 0 0 346.290 3.392 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cc(C2CC2)no1 ZINC000596913809 459794643 /nfs/dbraw/zinc/79/46/43/459794643.db2.gz OKUHAHPHKOIHLM-UHFFFAOYSA-N 0 0 343.383 3.440 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c2ccncc12 ZINC000574346673 459808955 /nfs/dbraw/zinc/80/89/55/459808955.db2.gz NUKXVCYHVOXNSK-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000593219778 459811398 /nfs/dbraw/zinc/81/13/98/459811398.db2.gz YHRLZWTXVWIAIW-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237417 459816272 /nfs/dbraw/zinc/81/62/72/459816272.db2.gz NQGZCYOKXUQBEE-UHFFFAOYSA-N 0 0 332.253 3.101 10 5 EGBERN CC[C@H](OCCNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593249932 459820046 /nfs/dbraw/zinc/82/00/46/459820046.db2.gz JVYNSHRGINGGNN-SFHVURJKSA-N 0 0 342.395 3.421 10 5 EGBERN C[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)CC(F)F ZINC000597090333 459835650 /nfs/dbraw/zinc/83/56/50/459835650.db2.gz JWBMRXOJZSZPET-ZCFIWIBFSA-N 0 0 336.726 3.243 10 5 EGBERN C[C@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)n1cccc1 ZINC000574603950 459839433 /nfs/dbraw/zinc/83/94/33/459839433.db2.gz XCIKNMPCIKTRFO-CYBMUJFWSA-N 0 0 340.383 3.188 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000593319721 459840655 /nfs/dbraw/zinc/84/06/55/459840655.db2.gz OQHWDMBVYZLZPU-ZBFHGGJFSA-N 0 0 346.427 3.334 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000593325195 459843609 /nfs/dbraw/zinc/84/36/09/459843609.db2.gz CDJPWOJVIIIOQX-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2ncc3ccccc32)n1 ZINC000545690837 459846166 /nfs/dbraw/zinc/84/61/66/459846166.db2.gz NHZPAFHKVGHMOY-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CC[C@H](NC(=O)Cn1ccnc1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602118453 459847177 /nfs/dbraw/zinc/84/71/77/459847177.db2.gz RKCSGFHHKHPMHV-HNNXBMFYSA-N 0 0 330.388 3.182 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C12CCC2 ZINC000598298184 459852257 /nfs/dbraw/zinc/85/22/57/459852257.db2.gz ZBVJVOAPSCGXKA-KBPBESRZSA-N 0 0 347.415 3.033 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000598300185 459853599 /nfs/dbraw/zinc/85/35/99/459853599.db2.gz ARSDMTSESANUER-DZGCQCFKSA-N 0 0 331.759 3.238 10 5 EGBERN C[C@@H](C(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593352176 459858881 /nfs/dbraw/zinc/85/88/81/459858881.db2.gz CXNGIBHBJCGADL-OTYXRUKQSA-N 0 0 328.290 3.095 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593353462 459859562 /nfs/dbraw/zinc/85/95/62/459859562.db2.gz KUJPTVVMSBUSBF-ZDUSSCGKSA-N 0 0 348.252 3.068 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598340995 459871762 /nfs/dbraw/zinc/87/17/62/459871762.db2.gz NHMLMOIOGONDHY-LBPRGKRZSA-N 0 0 328.315 3.015 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000598351930 459876458 /nfs/dbraw/zinc/87/64/58/459876458.db2.gz OPIMUFNUGIOTGG-ROUUACIJSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598353484 459877198 /nfs/dbraw/zinc/87/71/98/459877198.db2.gz TVSBDLYHJFIARW-RTBURBONSA-N 0 0 342.395 3.012 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598353479 459877302 /nfs/dbraw/zinc/87/73/02/459877302.db2.gz TVSBDLYHJFIARW-MOPGFXCFSA-N 0 0 342.395 3.012 10 5 EGBERN COc1cc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000598356264 459878008 /nfs/dbraw/zinc/87/80/08/459878008.db2.gz ZOWIKEAQBBYWRU-GFCCVEGCSA-N 0 0 348.399 3.086 10 5 EGBERN CCCc1nnc(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000593423419 459884697 /nfs/dbraw/zinc/88/46/97/459884697.db2.gz UYDVKLVJEWWPAZ-UHFFFAOYSA-N 0 0 337.357 3.009 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1COc1cc(OC)c(OC)cc1F ZINC000593427494 459886395 /nfs/dbraw/zinc/88/63/95/459886395.db2.gz RXPZTLONEIXEIW-UHFFFAOYSA-N 0 0 337.303 3.339 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000598400478 459889691 /nfs/dbraw/zinc/88/96/91/459889691.db2.gz OLBIFPGUHLDANQ-UHFFFAOYSA-N 0 0 345.355 3.001 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000598400435 459889906 /nfs/dbraw/zinc/88/99/06/459889906.db2.gz OFZDSYOISAHOLM-OAHLLOKOSA-N 0 0 332.400 3.402 10 5 EGBERN Nc1cc(NCc2ccc(C(F)(F)F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587062751 459890342 /nfs/dbraw/zinc/89/03/42/459890342.db2.gz ZHRKXPQODPTZEX-UHFFFAOYSA-N 0 0 341.289 3.300 10 5 EGBERN Nc1cc(NCCc2cccc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000587192131 459891665 /nfs/dbraw/zinc/89/16/65/459891665.db2.gz JNRHNMTZKWVART-UHFFFAOYSA-N 0 0 337.379 3.477 10 5 EGBERN O=C(CC(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000608885550 459892888 /nfs/dbraw/zinc/89/28/88/459892888.db2.gz QIGCJGBJRJVNPW-UHFFFAOYSA-N 0 0 337.323 3.012 10 5 EGBERN O=C(CCNc1ccnc2cc([N+](=O)[O-])ccc21)NC1CCCCC1 ZINC000593456940 459894458 /nfs/dbraw/zinc/89/44/58/459894458.db2.gz IKNMNXRKQSWOQA-UHFFFAOYSA-N 0 0 342.399 3.394 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000597255197 459897427 /nfs/dbraw/zinc/89/74/27/459897427.db2.gz SSILHPFOFTYYPC-OAHLLOKOSA-N 0 0 333.413 3.045 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCc1cnc(C2CC2)nc1 ZINC000593466921 459897882 /nfs/dbraw/zinc/89/78/82/459897882.db2.gz YVAJEQOOQZGIEE-UHFFFAOYSA-N 0 0 335.367 3.465 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([C@H]2CCOC2)CC1 ZINC000593466161 459898093 /nfs/dbraw/zinc/89/80/93/459898093.db2.gz ABZRDOSNXLUQAO-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(O)(C(F)(F)F)CC1 ZINC000593466475 459898242 /nfs/dbraw/zinc/89/82/42/459898242.db2.gz WQEDZVYPPXGVSQ-UHFFFAOYSA-N 0 0 341.289 3.037 10 5 EGBERN CC(C)(CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(F)c1 ZINC000587981491 459898330 /nfs/dbraw/zinc/89/83/30/459898330.db2.gz SWXDZAPVJAKOAE-UHFFFAOYSA-N 0 0 333.363 3.198 10 5 EGBERN Cc1nccn1CCCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467407 459898407 /nfs/dbraw/zinc/89/84/07/459898407.db2.gz QBSOALMWLJDEQF-UHFFFAOYSA-N 0 0 325.372 3.174 10 5 EGBERN CCCCO[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(C)C ZINC000587991574 459898657 /nfs/dbraw/zinc/89/86/57/459898657.db2.gz UNZRKSNUGSATFI-GJZGRUSLSA-N 0 0 337.420 3.065 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(CC)CC ZINC000587992526 459899072 /nfs/dbraw/zinc/89/90/72/459899072.db2.gz WRRNZKQTHQHKEP-LSDHHAIUSA-N 0 0 337.420 3.065 10 5 EGBERN CCO[C@@H](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCC1 ZINC000587990449 459899347 /nfs/dbraw/zinc/89/93/47/459899347.db2.gz IOTJHJKLHQODTL-INIZCTEOSA-N 0 0 337.420 3.067 10 5 EGBERN CN(Cc1ccc(Cl)c(F)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588008731 459902032 /nfs/dbraw/zinc/90/20/32/459902032.db2.gz RVEJRTSIMHBFCE-UHFFFAOYSA-N 0 0 339.754 3.098 10 5 EGBERN COc1ccc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)nc1 ZINC000593481416 459902875 /nfs/dbraw/zinc/90/28/75/459902875.db2.gz OPGUWEOGHNPSLI-UHFFFAOYSA-N 0 0 328.372 3.086 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598459328 459903319 /nfs/dbraw/zinc/90/33/19/459903319.db2.gz UXESFUGVVNBTID-IXDOHACOSA-N 0 0 326.327 3.110 10 5 EGBERN CC1(C)CCC[C@@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000588027531 459904251 /nfs/dbraw/zinc/90/42/51/459904251.db2.gz UMQCUNCINPCFHD-HNNXBMFYSA-N 0 0 336.417 3.343 10 5 EGBERN COc1cc(C(=O)N(CCC2CC2)CC2CC2)c([N+](=O)[O-])cc1F ZINC000598467570 459904667 /nfs/dbraw/zinc/90/46/67/459904667.db2.gz DMPVXVJTQLROOT-UHFFFAOYSA-N 0 0 336.363 3.395 10 5 EGBERN COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000609128353 459906962 /nfs/dbraw/zinc/90/69/62/459906962.db2.gz ZLEJSHCSTAQGJL-GJZGRUSLSA-N 0 0 334.416 3.477 10 5 EGBERN COc1cc(C(=O)N(C)C[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000598472040 459907548 /nfs/dbraw/zinc/90/75/48/459907548.db2.gz VNRSOLBWMWKDBL-HNNXBMFYSA-N 0 0 340.379 3.405 10 5 EGBERN CCc1nn(C)c(N2CCc3ccc(F)cc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593516488 459912000 /nfs/dbraw/zinc/91/20/00/459912000.db2.gz DEZYEJMWEYDZHG-NSHDSACASA-N 0 0 332.379 3.196 10 5 EGBERN CC(C)(NC(=O)Cc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000597361554 459928407 /nfs/dbraw/zinc/92/84/07/459928407.db2.gz SYCKZDVVXZKBMP-UHFFFAOYSA-N 0 0 329.356 3.054 10 5 EGBERN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC1(F)F ZINC000588232733 459935163 /nfs/dbraw/zinc/93/51/63/459935163.db2.gz ZPQHPXYSOBTHBQ-ZWNOBZJWSA-N 0 0 327.331 3.089 10 5 EGBERN O=C(Nc1ccc(C2CCC2)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575153194 459938133 /nfs/dbraw/zinc/93/81/33/459938133.db2.gz OYCMLXQEGDXTNY-UHFFFAOYSA-N 0 0 341.323 3.238 10 5 EGBERN C[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597407442 459942964 /nfs/dbraw/zinc/94/29/64/459942964.db2.gz SXDGRNXCXDTMQO-QWHCGFSZSA-N 0 0 341.415 3.498 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(N3CCCCC3)n2CC2CC2)cc1 ZINC000597408299 459943913 /nfs/dbraw/zinc/94/39/13/459943913.db2.gz KJWAJMIJAGXXTM-UHFFFAOYSA-N 0 0 327.388 3.254 10 5 EGBERN O=C(Cc1cc(C2CC2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597419241 459946883 /nfs/dbraw/zinc/94/68/83/459946883.db2.gz CAKPLHNPEZKOND-UHFFFAOYSA-N 0 0 341.367 3.194 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588382408 459954337 /nfs/dbraw/zinc/95/43/37/459954337.db2.gz CQVJCOBPXWKFQN-ZWNOBZJWSA-N 0 0 327.331 3.451 10 5 EGBERN COC(=O)c1ccnc(NCc2ccccc2OC(C)C)c1[N+](=O)[O-] ZINC000598591029 459955705 /nfs/dbraw/zinc/95/57/05/459955705.db2.gz WNROFKZDWDNCDT-UHFFFAOYSA-N 0 0 345.355 3.176 10 5 EGBERN O=C([C@H]1[C@@H]2CCCCCC[C@@H]21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597477756 459967769 /nfs/dbraw/zinc/96/77/69/459967769.db2.gz NTXQKATWUYMCQJ-QLPKVWCKSA-N 0 0 329.400 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CC2(F)F)c(F)c1N1CCOCC1 ZINC000598640366 459973169 /nfs/dbraw/zinc/97/31/69/459973169.db2.gz ZKRLNAPBIDTDSV-SNVBAGLBSA-N 0 0 345.321 3.028 10 5 EGBERN Cc1c(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)cccc1[N+](=O)[O-] ZINC000593753203 459973566 /nfs/dbraw/zinc/97/35/66/459973566.db2.gz SVLYRQQRLOAPES-UHFFFAOYSA-N 0 0 326.352 3.160 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](c2ccco2)C1 ZINC000609529540 459976084 /nfs/dbraw/zinc/97/60/84/459976084.db2.gz RXLYSSXNSGOHEO-NSHDSACASA-N 0 0 325.324 3.299 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000593760706 459976453 /nfs/dbraw/zinc/97/64/53/459976453.db2.gz UQETUPIEYCGZJN-AWEZNQCLSA-N 0 0 340.383 3.370 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598663310 459983723 /nfs/dbraw/zinc/98/37/23/459983723.db2.gz VUQMNQDLXHYENO-LBPRGKRZSA-N 0 0 339.342 3.314 10 5 EGBERN C[C@H]1Cc2ccccc2N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588808615 459984842 /nfs/dbraw/zinc/98/48/42/459984842.db2.gz GTEHFUXRKJCXBC-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN CC[C@H](NC(=O)c1c(Cl)cnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000598691363 459995355 /nfs/dbraw/zinc/99/53/55/459995355.db2.gz OZNMJOLTXCMFPO-ZDUSSCGKSA-N 0 0 336.779 3.346 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000593829288 459999147 /nfs/dbraw/zinc/99/91/47/459999147.db2.gz CLCMRBGZLUAVIS-NSHDSACASA-N 0 0 340.807 3.037 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000598713533 460004057 /nfs/dbraw/zinc/00/40/57/460004057.db2.gz NKQGXHVWLCDFFP-MXWKQRLJSA-N 0 0 345.367 3.224 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(CCC(C)(C)C(C)=O)n2)c1 ZINC000618420394 460007169 /nfs/dbraw/zinc/00/71/69/460007169.db2.gz RPYSRPUKJQNGCW-UHFFFAOYSA-N 0 0 347.371 3.125 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597632190 460012973 /nfs/dbraw/zinc/01/29/73/460012973.db2.gz QLJYSODROSAHKQ-UFBFGSQYSA-N 0 0 343.177 3.111 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)cc1[N+](=O)[O-] ZINC000597633385 460014386 /nfs/dbraw/zinc/01/43/86/460014386.db2.gz YITBCSDYABOIRC-LLVKDONJSA-N 0 0 343.387 3.069 10 5 EGBERN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000588989884 460016271 /nfs/dbraw/zinc/01/62/71/460016271.db2.gz OWFMBHRHQCRCBG-QMMMGPOBSA-N 0 0 326.324 3.354 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000618464868 460018640 /nfs/dbraw/zinc/01/86/40/460018640.db2.gz ZJPNJOZFWRKHGQ-ZDUSSCGKSA-N 0 0 348.786 3.063 10 5 EGBERN COc1cc(C(=O)N2CCC[C@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000597692325 460029825 /nfs/dbraw/zinc/02/98/25/460029825.db2.gz QRFBTHREYRDBND-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC1(F)F ZINC000598780518 460032108 /nfs/dbraw/zinc/03/21/08/460032108.db2.gz GRJQSAHGERYONK-SECBINFHSA-N 0 0 330.356 3.482 10 5 EGBERN CC(C)(C)OC(=O)CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000593967392 460032339 /nfs/dbraw/zinc/03/23/39/460032339.db2.gz VAOVHGWHSMJQOR-UHFFFAOYSA-N 0 0 336.388 3.113 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000598781404 460032418 /nfs/dbraw/zinc/03/24/18/460032418.db2.gz ZSKZCFDYVAQMIO-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN CCOC1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000597723688 460039825 /nfs/dbraw/zinc/03/98/25/460039825.db2.gz MJOZYPBTNTXGSX-OAHLLOKOSA-N 0 0 332.400 3.260 10 5 EGBERN Cc1ccc(COCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000598802543 460040530 /nfs/dbraw/zinc/04/05/30/460040530.db2.gz AJFWYJBBPJFOGY-UHFFFAOYSA-N 0 0 326.352 3.009 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@H](C)Cc2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000598832822 460057736 /nfs/dbraw/zinc/05/77/36/460057736.db2.gz SIJHIVODEASHRS-SNVBAGLBSA-N 0 0 346.339 3.100 10 5 EGBERN COCCOc1cccc(OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000589268112 460064020 /nfs/dbraw/zinc/06/40/20/460064020.db2.gz BEBKIKVABQPQNK-UHFFFAOYSA-N 0 0 333.340 3.208 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(C)c1C(F)F ZINC000589374973 460081369 /nfs/dbraw/zinc/08/13/69/460081369.db2.gz ZWSQFRWWDJUAPZ-UHFFFAOYSA-N 0 0 339.302 3.472 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1ccccn1 ZINC000597862642 460083609 /nfs/dbraw/zinc/08/36/09/460083609.db2.gz CSKLZMGENRHGLQ-HOCLYGCPSA-N 0 0 341.411 3.478 10 5 EGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594074523 460088737 /nfs/dbraw/zinc/08/87/37/460088737.db2.gz XJRCTCROFFHTRY-UKRRQHHQSA-N 0 0 338.791 3.326 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000610237343 460092053 /nfs/dbraw/zinc/09/20/53/460092053.db2.gz SRRXJWXPSLXRKK-MRXNPFEDSA-N 0 0 342.399 3.147 10 5 EGBERN Cc1cc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594081823 460093303 /nfs/dbraw/zinc/09/33/03/460093303.db2.gz VTSJHWDCBZJMPF-HOTGVXAUSA-N 0 0 333.388 3.372 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCc3ccccc3C2)c1 ZINC000589498149 460094478 /nfs/dbraw/zinc/09/44/78/460094478.db2.gz CQPVGTNVDOCVFO-UHFFFAOYSA-N 0 0 340.379 3.330 10 5 EGBERN Cc1sc(C(=O)N2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598937320 460095618 /nfs/dbraw/zinc/09/56/18/460095618.db2.gz MPJBYVFRLBBXAD-UHFFFAOYSA-N 0 0 346.412 3.077 10 5 EGBERN CCc1nc(CN(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000589496861 460095861 /nfs/dbraw/zinc/09/58/61/460095861.db2.gz ULSPUCAXYDXNDE-UHFFFAOYSA-N 0 0 349.412 3.032 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccccn2)c1 ZINC000589496266 460096049 /nfs/dbraw/zinc/09/60/49/460096049.db2.gz CQBVCGLQFUQNTE-KRWDZBQOSA-N 0 0 341.367 3.114 10 5 EGBERN Cc1ccc([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938608 460096334 /nfs/dbraw/zinc/09/63/34/460096334.db2.gz BUIAMSNBHOHLDM-ACJLOTCBSA-N 0 0 339.395 3.267 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000598938702 460096404 /nfs/dbraw/zinc/09/64/04/460096404.db2.gz DCJFQXYWWWXLLD-UHFFFAOYSA-N 0 0 333.779 3.119 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cc(F)ccc3C2)c1 ZINC000589510741 460096878 /nfs/dbraw/zinc/09/68/78/460096878.db2.gz LCKUDUXLGLQVJS-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000589515153 460097994 /nfs/dbraw/zinc/09/79/94/460097994.db2.gz LRMUNDLUAYFRBV-JTQLQIEISA-N 0 0 346.305 3.156 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000594094718 460098507 /nfs/dbraw/zinc/09/85/07/460098507.db2.gz NPNIIUONIYQUJN-NSHDSACASA-N 0 0 339.392 3.176 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594094899 460099544 /nfs/dbraw/zinc/09/95/44/460099544.db2.gz QKVKVGMSYYPXCT-GXTWGEPZSA-N 0 0 337.376 3.073 10 5 EGBERN Cn1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nnc1C1CC1 ZINC000597897588 460099892 /nfs/dbraw/zinc/09/98/92/460099892.db2.gz PXIIFESNZLEYEY-UHFFFAOYSA-N 0 0 343.387 3.151 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000598966401 460108126 /nfs/dbraw/zinc/10/81/26/460108126.db2.gz CUCYQCMBTJKKHJ-UHFFFAOYSA-N 0 0 329.347 3.466 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597923396 460114079 /nfs/dbraw/zinc/11/40/79/460114079.db2.gz BCWPYFPYFFVSKW-INIZCTEOSA-N 0 0 338.791 3.198 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000594136531 460120670 /nfs/dbraw/zinc/12/06/70/460120670.db2.gz JLZLWHQMLSFHPQ-CYBMUJFWSA-N 0 0 338.404 3.093 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598998355 460123564 /nfs/dbraw/zinc/12/35/64/460123564.db2.gz PWNXEYHQZZCVCP-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000594142014 460124391 /nfs/dbraw/zinc/12/43/91/460124391.db2.gz UZIIDDINOHMNEW-AULYBMBSSA-N 0 0 326.780 3.324 10 5 EGBERN CC[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594174427 460137459 /nfs/dbraw/zinc/13/74/59/460137459.db2.gz HAFRLFXCXSBULJ-GXTWGEPZSA-N 0 0 338.429 3.151 10 5 EGBERN CC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000594175958 460137767 /nfs/dbraw/zinc/13/77/67/460137767.db2.gz NBHCBHFYCJVVIF-NVXWUHKLSA-N 0 0 345.399 3.083 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](CC)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594183169 460140527 /nfs/dbraw/zinc/14/05/27/460140527.db2.gz UENQFAPULPPKDD-CJNGLKHVSA-N 0 0 335.404 3.104 10 5 EGBERN C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000599057438 460144152 /nfs/dbraw/zinc/14/41/52/460144152.db2.gz PNULVQHEHUHXHR-DYVFJYSZSA-N 0 0 337.383 3.427 10 5 EGBERN C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599061139 460146084 /nfs/dbraw/zinc/14/60/84/460146084.db2.gz OENWGNNAIMYJTC-SECBINFHSA-N 0 0 328.294 3.198 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC000594201857 460148307 /nfs/dbraw/zinc/14/83/07/460148307.db2.gz CADUOOVLRIISSG-CQSZACIVSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000589864366 460152807 /nfs/dbraw/zinc/15/28/07/460152807.db2.gz XBGAYEMRBPDSMN-ZANVPECISA-N 0 0 341.289 3.299 10 5 EGBERN C[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599102594 460161703 /nfs/dbraw/zinc/16/17/03/460161703.db2.gz NDRAWCOWWCVXLR-BXUZGUMPSA-N 0 0 344.342 3.162 10 5 EGBERN CC[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594281768 460179470 /nfs/dbraw/zinc/17/94/70/460179470.db2.gz YGKSHPOCWYHMIX-HOCLYGCPSA-N 0 0 349.431 3.477 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000599178930 460188862 /nfs/dbraw/zinc/18/88/62/460188862.db2.gz CFWJBFHGOZPNKH-JOYOIKCWSA-N 0 0 340.763 3.014 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCc3c(O)cccc3C1)CCCC2 ZINC000599182849 460191706 /nfs/dbraw/zinc/19/17/06/460191706.db2.gz MZYBEEQVVRHMGN-UHFFFAOYSA-N 0 0 325.368 3.137 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NCC1(C(F)(F)F)CCCC1 ZINC000599184593 460192494 /nfs/dbraw/zinc/19/24/94/460192494.db2.gz IYGGABMISOMSPK-UHFFFAOYSA-N 0 0 331.294 3.228 10 5 EGBERN C[C@H](c1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1)c1cnccn1 ZINC000599194957 460196532 /nfs/dbraw/zinc/19/65/32/460196532.db2.gz NPIXIDHFPCFETM-UWVGGRQHSA-N 0 0 343.318 3.211 10 5 EGBERN Cc1nn(C)c(NCCc2c[nH]c3c2cccc3Cl)c1[N+](=O)[O-] ZINC000599200520 460197524 /nfs/dbraw/zinc/19/75/24/460197524.db2.gz VCMDGGNDXQPICP-UHFFFAOYSA-N 0 0 333.779 3.426 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598202791 460202361 /nfs/dbraw/zinc/20/23/61/460202361.db2.gz VNRMEXYNVRTPJZ-CTYIDZIISA-N 0 0 326.352 3.243 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC12CC2 ZINC000599245272 460204696 /nfs/dbraw/zinc/20/46/96/460204696.db2.gz QNBIRUYIQOMQRH-OAHLLOKOSA-N 0 0 331.416 3.359 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000598210054 460204955 /nfs/dbraw/zinc/20/49/55/460204955.db2.gz XONUBONOPUPFSG-AGIUHOORSA-N 0 0 348.399 3.168 10 5 EGBERN Cc1c(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cccc1[N+](=O)[O-] ZINC000598209886 460205159 /nfs/dbraw/zinc/20/51/59/460205159.db2.gz VLQVDYWXAYFNNI-HOTGVXAUSA-N 0 0 340.379 3.206 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](CCF)C1 ZINC000598220781 460210330 /nfs/dbraw/zinc/21/03/30/460210330.db2.gz NPMSIVWQVJLWOX-LLVKDONJSA-N 0 0 328.771 3.389 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594410949 460210312 /nfs/dbraw/zinc/21/03/12/460210312.db2.gz NLZCJXFBMPHXEV-OCCSQVGLSA-N 0 0 326.780 3.326 10 5 EGBERN Cc1c(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000598230028 460215169 /nfs/dbraw/zinc/21/51/69/460215169.db2.gz NLCSOFOFTGKTLR-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](c3ccco3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769968 460234322 /nfs/dbraw/zinc/23/43/22/460234322.db2.gz ITFROQYIMSJHTO-LBPRGKRZSA-N 0 0 330.340 3.277 10 5 EGBERN COC(=O)c1cc(NC[C@H](C)c2ccncc2)cc(C)c1[N+](=O)[O-] ZINC000610770286 460234489 /nfs/dbraw/zinc/23/44/89/460234489.db2.gz UHTPOTWHJPJYTO-LBPRGKRZSA-N 0 0 329.356 3.300 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1noc2c1CCCCC2 ZINC000614971225 460256299 /nfs/dbraw/zinc/25/62/99/460256299.db2.gz KYRLFEXEQJWREI-LLVKDONJSA-N 0 0 341.367 3.443 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000615038876 460265814 /nfs/dbraw/zinc/26/58/14/460265814.db2.gz QBHGVDFWINYFKB-LLVKDONJSA-N 0 0 329.303 3.139 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000599528821 460268540 /nfs/dbraw/zinc/26/85/40/460268540.db2.gz HNGDPIAUENFBON-KXMPLOMGSA-N 0 0 330.431 3.023 10 5 EGBERN Cc1cccc(CC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000610971911 460268912 /nfs/dbraw/zinc/26/89/12/460268912.db2.gz PZVGRLFRRVYYIU-UHFFFAOYSA-N 0 0 338.407 3.455 10 5 EGBERN COC(=O)[C@](C)(NCc1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000599655916 460300190 /nfs/dbraw/zinc/30/01/90/460300190.db2.gz YUKCQXAOBDSAHA-GOSISDBHSA-N 0 0 346.358 3.220 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCOC[C@H]1c1ccco1 ZINC000611203902 460306864 /nfs/dbraw/zinc/30/68/64/460306864.db2.gz ZKBFIZTYCLLWDW-HNNXBMFYSA-N 0 0 325.324 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(OCc3ccccc3F)CC2)cn1 ZINC000611257114 460319694 /nfs/dbraw/zinc/31/96/94/460319694.db2.gz USPIXYYSADZKFH-UHFFFAOYSA-N 0 0 331.347 3.315 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000599717927 460320286 /nfs/dbraw/zinc/32/02/86/460320286.db2.gz NBZSTYDEVFENQJ-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC(F)(F)CC1 ZINC000599741881 460324878 /nfs/dbraw/zinc/32/48/78/460324878.db2.gz FFTLYTGXMDTBIZ-UHFFFAOYSA-N 0 0 339.342 3.090 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC2(C1)CCCO2 ZINC000599770059 460330737 /nfs/dbraw/zinc/33/07/37/460330737.db2.gz FDPXBADNTREKBA-UHFFFAOYSA-N 0 0 345.277 3.010 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cl)o1 ZINC000603643080 460331203 /nfs/dbraw/zinc/33/12/03/460331203.db2.gz WPYRTHWTFMFGAC-UHFFFAOYSA-N 0 0 325.708 3.172 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC3(C2)CCCO3)cc1[N+](=O)[O-] ZINC000599786182 460333487 /nfs/dbraw/zinc/33/34/87/460333487.db2.gz IVSUDUINFLCLOA-UHFFFAOYSA-N 0 0 333.388 3.289 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC(C)(C)O1 ZINC000599828997 460343019 /nfs/dbraw/zinc/34/30/19/460343019.db2.gz ALMPTZYIBZAXNF-LLVKDONJSA-N 0 0 344.371 3.174 10 5 EGBERN C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831552 460343860 /nfs/dbraw/zinc/34/38/60/460343860.db2.gz OLRKKGKCFJPQQM-LLVKDONJSA-N 0 0 346.387 3.062 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC(F)(F)C1 ZINC000599831557 460344212 /nfs/dbraw/zinc/34/42/12/460344212.db2.gz OOUYWKCIFIGVOW-SECBINFHSA-N 0 0 336.298 3.452 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)[C@H](C)O1 ZINC000599833435 460344795 /nfs/dbraw/zinc/34/47/95/460344795.db2.gz RNMHOZCMWCEEES-WOPDTQHZSA-N 0 0 344.371 3.173 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@]2(CC2(F)F)C1 ZINC000599833839 460344910 /nfs/dbraw/zinc/34/49/10/460344910.db2.gz BATGGRNGSOEDOU-HNNXBMFYSA-N 0 0 348.309 3.406 10 5 EGBERN CSCCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835683 460345411 /nfs/dbraw/zinc/34/54/11/460345411.db2.gz MRGDDMVQUDRBQJ-UHFFFAOYSA-N 0 0 334.401 3.360 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000603840233 460345900 /nfs/dbraw/zinc/34/59/00/460345900.db2.gz RAJAWYZJUHIQKY-UHFFFAOYSA-N 0 0 338.820 3.027 10 5 EGBERN CC(C)O[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599838582 460346082 /nfs/dbraw/zinc/34/60/82/460346082.db2.gz KTILXVPPNFBLOR-TXEJJXNPSA-N 0 0 344.371 3.221 10 5 EGBERN COc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000604017468 460370156 /nfs/dbraw/zinc/37/01/56/460370156.db2.gz DEZVWPVDBKDQEA-UHFFFAOYSA-N 0 0 349.412 3.422 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC([C@@H]3CCOC3)C2)nc1-c1ccc(F)cc1 ZINC000619527733 460374812 /nfs/dbraw/zinc/37/48/12/460374812.db2.gz ARHSOSBEVLAAPM-CYBMUJFWSA-N 0 0 343.358 3.269 10 5 EGBERN Nc1cc(N2CCC(Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525129 460387442 /nfs/dbraw/zinc/38/74/42/460387442.db2.gz KEHGBOBUGJRUCY-UHFFFAOYSA-N 0 0 341.411 3.128 10 5 EGBERN Cc1ccc(N(C(=O)c2nn(C)cc2[N+](=O)[O-])C2CCCCC2)nc1 ZINC000611540486 460392473 /nfs/dbraw/zinc/39/24/73/460392473.db2.gz HQPDAVOUDOXDIN-UHFFFAOYSA-N 0 0 343.387 3.011 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 ZINC000619652353 460403612 /nfs/dbraw/zinc/40/36/12/460403612.db2.gz YZWIVURMWNKISI-GJZGRUSLSA-N 0 0 331.347 3.058 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600166338 460416800 /nfs/dbraw/zinc/41/68/00/460416800.db2.gz ZQOXDNUKJKDGRH-SNVBAGLBSA-N 0 0 346.305 3.160 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C(F)F ZINC000619715031 460421553 /nfs/dbraw/zinc/42/15/53/460421553.db2.gz KJUZXVZVIBQCSD-CYBMUJFWSA-N 0 0 339.342 3.429 10 5 EGBERN O=C(Nc1c(O)cccc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611655528 460423825 /nfs/dbraw/zinc/42/38/25/460423825.db2.gz AECRDBWYSRWEEH-UHFFFAOYSA-N 0 0 342.229 3.293 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604531525 460442482 /nfs/dbraw/zinc/44/24/82/460442482.db2.gz RNVFOLFITGDXHI-NSHDSACASA-N 0 0 325.434 3.033 10 5 EGBERN O=C(Nc1nc2c(s1)CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604539740 460443459 /nfs/dbraw/zinc/44/34/59/460443459.db2.gz FFVRBTLSYGHKKV-UHFFFAOYSA-N 0 0 328.353 3.274 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOc3ccccc3[C@@H]2C)c1 ZINC000611748418 460449459 /nfs/dbraw/zinc/44/94/59/460449459.db2.gz VEPYNVSPNJMCGF-LBPRGKRZSA-N 0 0 342.351 3.341 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000600268500 460461517 /nfs/dbraw/zinc/46/15/17/460461517.db2.gz DQSBGFGDDVNBJX-UHFFFAOYSA-N 0 0 334.416 3.288 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000600298104 460466907 /nfs/dbraw/zinc/46/69/07/460466907.db2.gz GAJIMWNYNSWUKJ-SFHVURJKSA-N 0 0 343.358 3.329 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600360652 460480809 /nfs/dbraw/zinc/48/08/09/460480809.db2.gz HOJFORIEXHTMSN-SFHVURJKSA-N 0 0 346.383 3.402 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2cc(Cl)cc(C)c2OC)c1[N+](=O)[O-] ZINC000600366313 460483237 /nfs/dbraw/zinc/48/32/37/460483237.db2.gz NPTAMCUHBRZOPA-UHFFFAOYSA-N 0 0 338.751 3.103 10 5 EGBERN CCCOc1cncc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000600366485 460483427 /nfs/dbraw/zinc/48/34/27/460483427.db2.gz KWKQAVNXSBTAFR-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN CC(C)c1cc(Cl)ccc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000600369619 460485351 /nfs/dbraw/zinc/48/53/51/460485351.db2.gz UVAPKMBIZXTUBU-UHFFFAOYSA-N 0 0 349.774 3.172 10 5 EGBERN Cc1sc(C(=O)N[C@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600368804 460485655 /nfs/dbraw/zinc/48/56/55/460485655.db2.gz YGMHAKPXVJGFFO-OAHLLOKOSA-N 0 0 326.418 3.026 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)c1[N+](=O)[O-] ZINC000600431251 460494984 /nfs/dbraw/zinc/49/49/84/460494984.db2.gz UBUGLTKONMDREK-ZDUSSCGKSA-N 0 0 346.362 3.174 10 5 EGBERN C[C@]1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]2C[C@H]2C1 ZINC000600500530 460506123 /nfs/dbraw/zinc/50/61/23/460506123.db2.gz QVPWAFHSONEMOO-IHGORAQCSA-N 0 0 341.367 3.015 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000600510936 460508548 /nfs/dbraw/zinc/50/85/48/460508548.db2.gz YDRUIHLPJLMOLI-ZDUSSCGKSA-N 0 0 348.790 3.098 10 5 EGBERN Cc1cccc(CC2(O)CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000601158470 460735968 /nfs/dbraw/zinc/73/59/68/460735968.db2.gz TTZHBGCYROWRJX-UHFFFAOYSA-N 0 0 345.374 3.011 10 5 EGBERN CC(C)[C@H]1N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC12CCC2 ZINC000601168055 460738382 /nfs/dbraw/zinc/73/83/82/460738382.db2.gz NFSVFRPSDXRQSI-LLVKDONJSA-N 0 0 332.326 3.362 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1COCc2ccccc21 ZINC000601175478 460741511 /nfs/dbraw/zinc/74/15/11/460741511.db2.gz PFSFLOHXVHINEQ-SNVBAGLBSA-N 0 0 342.277 3.031 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cnn3c2CCCC3)c(C(F)(F)F)c1 ZINC000601232943 460758535 /nfs/dbraw/zinc/75/85/35/460758535.db2.gz HZOAZPMXWHICCF-UHFFFAOYSA-N 0 0 327.266 3.285 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc2cnncc21 ZINC000617146914 460758762 /nfs/dbraw/zinc/75/87/62/460758762.db2.gz VJNOLPPLIRTQGW-UHFFFAOYSA-N 0 0 347.334 3.131 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289933 460778946 /nfs/dbraw/zinc/77/89/46/460778946.db2.gz WSBMMDRWKOEARA-JKSUJKDBSA-N 0 0 326.400 3.340 10 5 EGBERN CC(C)(c1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H]1CCCCO1 ZINC000601354351 460794200 /nfs/dbraw/zinc/79/42/00/460794200.db2.gz YRRGSXXIYRLMGU-CQSZACIVSA-N 0 0 331.372 3.415 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)O1 ZINC000601395010 460803619 /nfs/dbraw/zinc/80/36/19/460803619.db2.gz AWNLZVXVBJXEQR-AGGWBTHJSA-N 0 0 332.400 3.089 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601451000 460814119 /nfs/dbraw/zinc/81/41/19/460814119.db2.gz MWHUOKQYKYEDSJ-SNVBAGLBSA-N 0 0 348.378 3.485 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601566592 460835568 /nfs/dbraw/zinc/83/55/68/460835568.db2.gz TWZJOWRZIQRPNJ-RWYTXXIDSA-N 0 0 343.177 3.109 10 5 EGBERN Cc1cc(NC(=O)[C@@H](C)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000613195718 460858660 /nfs/dbraw/zinc/85/86/60/460858660.db2.gz MZMBSYIZPIURDK-NSHDSACASA-N 0 0 325.324 3.209 10 5 EGBERN CCn1nc(C)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601685198 460868975 /nfs/dbraw/zinc/86/89/75/460868975.db2.gz NHIJOKUKERFVTP-UHFFFAOYSA-N 0 0 328.372 3.180 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000601705051 460877883 /nfs/dbraw/zinc/87/78/83/460877883.db2.gz RNCPSNMCWLBQMY-UHFFFAOYSA-N 0 0 344.415 3.317 10 5 EGBERN O=C(NCCOCC1CCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000613250494 460883788 /nfs/dbraw/zinc/88/37/88/460883788.db2.gz MNHIQPPDVUPTCJ-UHFFFAOYSA-N 0 0 347.415 3.086 10 5 EGBERN Cc1cccc(C(=O)N2CCC(Cc3nccs3)CC2)c1[N+](=O)[O-] ZINC000601742742 460887053 /nfs/dbraw/zinc/88/70/53/460887053.db2.gz HTXROGXLOITULD-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN Cc1sc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601855604 460927107 /nfs/dbraw/zinc/92/71/07/460927107.db2.gz DBQMQVRWGRDYJF-AWEZNQCLSA-N 0 0 338.429 3.434 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000191324961 534055574 /nfs/dbraw/zinc/05/55/74/534055574.db2.gz QOPNGFNKZZEVMC-KDOFPFPSSA-N 0 0 347.415 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171506779 534341195 /nfs/dbraw/zinc/34/11/95/534341195.db2.gz WUDSWZFWXYXYCT-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000154805432 534466532 /nfs/dbraw/zinc/46/65/32/534466532.db2.gz OQPCVMQAXBWVNL-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174873543 534719769 /nfs/dbraw/zinc/71/97/69/534719769.db2.gz CMTRNIDPIODGAX-ZIAGYGMSSA-N 0 0 346.408 3.385 10 5 EGBERN CCCCc1noc([C@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)n1 ZINC000174151604 529065344 /nfs/dbraw/zinc/06/53/44/529065344.db2.gz MJHFCBVSLSMTGM-JTQLQIEISA-N 0 0 349.343 3.247 10 5 EGBERN CC(C)(NC(=O)N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000175465717 535227253 /nfs/dbraw/zinc/22/72/53/535227253.db2.gz LJPZTEYRXLLWFU-OAHLLOKOSA-N 0 0 341.367 3.263 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nc2ccccc2[nH]1 ZINC000340096728 535799652 /nfs/dbraw/zinc/79/96/52/535799652.db2.gz GHKKZPUZXJWEKS-CYBMUJFWSA-N 0 0 339.355 3.056 10 5 EGBERN COc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000363855745 536728803 /nfs/dbraw/zinc/72/88/03/536728803.db2.gz NPAKWNOQFBCWOJ-QGZVFWFLSA-N 0 0 348.399 3.025 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000350701500 536955098 /nfs/dbraw/zinc/95/50/98/536955098.db2.gz QAGYQJJBICQKQP-MWLCHTKSSA-N 0 0 346.305 3.198 10 5 EGBERN CCC(C)(C)C(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000726860548 574574478 /nfs/dbraw/zinc/57/44/78/574574478.db2.gz NYOPYULJTYOUOT-UHFFFAOYSA-N 0 0 335.404 3.186 10 5 EGBERN COc1ccc(C)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1N ZINC000727007888 574631408 /nfs/dbraw/zinc/63/14/08/574631408.db2.gz FIVKIACDCJGOJI-LLVKDONJSA-N 0 0 330.340 3.412 10 5 EGBERN C[C@H](OC(=O)[C@H]1CCCN1c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000728167783 574724779 /nfs/dbraw/zinc/72/47/79/574724779.db2.gz UFINSNKUGLLFID-SMDDNHRTSA-N 0 0 347.396 3.325 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1-n1cnc(CCCO)c1 ZINC000731902257 575217747 /nfs/dbraw/zinc/21/77/47/575217747.db2.gz CYQXXLUUISSRHA-UHFFFAOYSA-N 0 0 349.696 3.378 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000732403395 575267122 /nfs/dbraw/zinc/26/71/22/575267122.db2.gz AQOWMZBOFIDLAQ-SREVYHEPSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3F)CCC2)n1 ZINC000736409035 575953881 /nfs/dbraw/zinc/95/38/81/575953881.db2.gz BDMGRHHSASZGPK-UHFFFAOYSA-N 0 0 335.360 3.308 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000737791115 576263036 /nfs/dbraw/zinc/26/30/36/576263036.db2.gz UYKDGXDJLPDVOC-UHFFFAOYSA-N 0 0 344.758 3.397 10 5 EGBERN CC(C)(C)OC(=O)NC1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000739897852 576516831 /nfs/dbraw/zinc/51/68/31/576516831.db2.gz WFSGVQPFKFGKOY-UHFFFAOYSA-N 0 0 336.392 3.238 10 5 EGBERN COC(=O)COc1ccc(NCc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000742258653 576763584 /nfs/dbraw/zinc/76/35/84/576763584.db2.gz CWPXTQNBYICVTG-UHFFFAOYSA-N 0 0 336.369 3.129 10 5 EGBERN CCCn1cc(Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000742419959 576782220 /nfs/dbraw/zinc/78/22/20/576782220.db2.gz XKOGLDUMOMYWAI-ALCCZGGFSA-N 0 0 330.344 3.131 10 5 EGBERN CN(C)c1cccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000744183496 576822454 /nfs/dbraw/zinc/82/24/54/576822454.db2.gz PYWYUTIPHHJSJO-UHFFFAOYSA-N 0 0 339.351 3.499 10 5 EGBERN CC(C)C[C@@H]1CC(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1 ZINC000744430744 576827950 /nfs/dbraw/zinc/82/79/50/576827950.db2.gz IPILMJGTMZGLFJ-ZIAGYGMSSA-N 0 0 331.416 3.198 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCc1ccc2c(c1)CCO2 ZINC000744916485 576836876 /nfs/dbraw/zinc/83/68/76/576836876.db2.gz ZBDPNWCXSGMCRD-UHFFFAOYSA-N 0 0 327.336 3.238 10 5 EGBERN C[C@H](OC(=O)/C=C\C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000745551782 576849891 /nfs/dbraw/zinc/84/98/91/576849891.db2.gz DJNUWBZNHPGXHP-WYDVEAGSSA-N 0 0 338.747 3.085 10 5 EGBERN O=C(Nc1ccsc1)c1cc([N+](=O)[O-])ncc1Br ZINC000305956185 1297065512 /nfs/dbraw/zinc/06/55/12/1297065512.db2.gz NUJCUAWBFOEBDU-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN Cc1ccc(/C=C\C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000034746981 1291391074 /nfs/dbraw/zinc/39/10/74/1291391074.db2.gz PNJDKHSRCJXCMF-PLNGDYQASA-N 0 0 345.307 3.119 10 5 EGBERN CN(C(=O)c1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000103740134 1293014138 /nfs/dbraw/zinc/01/41/38/1293014138.db2.gz AHRGWHQPPNLQQY-UHFFFAOYSA-N 0 0 340.314 3.196 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000152543020 1293973892 /nfs/dbraw/zinc/97/38/92/1293973892.db2.gz GQPYWFLZDFFFJC-UHFFFAOYSA-N 0 0 335.703 3.433 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCC[C@H]1O ZINC000869927274 1295541861 /nfs/dbraw/zinc/54/18/61/1295541861.db2.gz SQXXBKOPJJWOBO-IAGOWNOFSA-N 0 0 328.368 3.124 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCC2(C1)OCCO2 ZINC000870630440 1295987972 /nfs/dbraw/zinc/98/79/72/1295987972.db2.gz AJCLILJNWMJLQL-SICOMBFOSA-N 0 0 347.367 3.227 10 5 EGBERN CC[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870678264 1296014069 /nfs/dbraw/zinc/01/40/69/1296014069.db2.gz PTJMUUDMMGMJNX-GOSISDBHSA-N 0 0 328.368 3.125 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc(F)ccc1Cl ZINC000870828959 1296106002 /nfs/dbraw/zinc/10/60/02/1296106002.db2.gz YMYZUEBEXREJHN-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C(F)F)cc1 ZINC000870829244 1296106014 /nfs/dbraw/zinc/10/60/14/1296106014.db2.gz JEEDOQIHJYSXEI-UHFFFAOYSA-N 0 0 337.282 3.289 10 5 EGBERN O=C(C[C@H]1CCc2ccccc21)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829777 1296107553 /nfs/dbraw/zinc/10/75/53/1296107553.db2.gz QGRPJGOOTBDPQY-VQCLRJIVSA-N 0 0 341.367 3.158 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1Cc2ccc(Cl)cc21 ZINC000870830906 1296108133 /nfs/dbraw/zinc/10/81/33/1296108133.db2.gz MFMKBMSUKQYKRW-HGMXIMQMSA-N 0 0 347.758 3.031 10 5 EGBERN O=C(NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000871033421 1296188351 /nfs/dbraw/zinc/18/83/51/1296188351.db2.gz BCGPCDMIEOTWAG-LLVKDONJSA-N 0 0 331.397 3.159 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000871096139 1296222474 /nfs/dbraw/zinc/22/24/74/1296222474.db2.gz MJHBSNWLMADJFW-JOCQHMNTSA-N 0 0 343.408 3.281 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871123181 1296234475 /nfs/dbraw/zinc/23/44/75/1296234475.db2.gz NNFUMRAOMSQXPN-CABCVRRESA-N 0 0 338.791 3.326 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000871201936 1296271008 /nfs/dbraw/zinc/27/10/08/1296271008.db2.gz XUCLVYOPYOVDJO-AGGNRZCOSA-N 0 0 344.411 3.150 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000871289373 1296319866 /nfs/dbraw/zinc/31/98/66/1296319866.db2.gz NZZKIOLZOAJPPW-YVEFUNNKSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000871436296 1296396194 /nfs/dbraw/zinc/39/61/94/1296396194.db2.gz WVQZNJRKWKOUDR-CQSZACIVSA-N 0 0 346.305 3.005 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000871583250 1296441208 /nfs/dbraw/zinc/44/12/08/1296441208.db2.gz NDFSBJKFEKPGNA-WCRPCQDQSA-N 0 0 344.411 3.321 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1Cl ZINC000871587192 1296445241 /nfs/dbraw/zinc/44/52/41/1296445241.db2.gz QEQNUTODOVFGKC-NSHDSACASA-N 0 0 338.791 3.185 10 5 EGBERN O=[N+]([O-])c1cc(F)c(OC[C@H]2CC3(CO2)CCOCC3)cc1Cl ZINC000871695012 1296484789 /nfs/dbraw/zinc/48/47/89/1296484789.db2.gz WBQPTJPCILPUGO-SNVBAGLBSA-N 0 0 345.754 3.352 10 5 EGBERN Cc1csc([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000871750928 1296516389 /nfs/dbraw/zinc/51/63/89/1296516389.db2.gz BHKIGLYCGLKBEM-NSHDSACASA-N 0 0 332.385 3.381 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000871756629 1296520988 /nfs/dbraw/zinc/52/09/88/1296520988.db2.gz XWXNJGFXGAAXGI-SKDRFNHKSA-N 0 0 347.293 3.168 10 5 EGBERN C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042914 1296691169 /nfs/dbraw/zinc/69/11/69/1296691169.db2.gz FPAAOVPUCUCENH-SECBINFHSA-N 0 0 346.284 3.344 10 5 EGBERN CCc1nn(C)c(CC)c1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051205 1296700851 /nfs/dbraw/zinc/70/08/51/1296700851.db2.gz ISDIMEBNUYJGGV-NSHDSACASA-N 0 0 334.395 3.443 10 5 EGBERN C[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067800 1296714941 /nfs/dbraw/zinc/71/49/41/1296714941.db2.gz CKVLGDPTABGNIP-WDEREUQCSA-N 0 0 341.383 3.298 10 5 EGBERN C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091209 1296728196 /nfs/dbraw/zinc/72/81/96/1296728196.db2.gz GYFKJPIVDTXCKM-NWDGAFQWSA-N 0 0 326.368 3.174 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000872303057 1296906654 /nfs/dbraw/zinc/90/66/54/1296906654.db2.gz SZDHMLYDCVWKSF-RISCZKNCSA-N 0 0 345.182 3.343 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000872305735 1296906938 /nfs/dbraw/zinc/90/69/38/1296906938.db2.gz YCSLDDHFGQNZQX-OCCSQVGLSA-N 0 0 344.289 3.055 10 5 EGBERN CC1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312232941 1297115369 /nfs/dbraw/zinc/11/53/69/1297115369.db2.gz LSAASYNDAQIRJC-JTQLQIEISA-N 0 0 342.193 3.061 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000873474694 1297526132 /nfs/dbraw/zinc/52/61/32/1297526132.db2.gz ZMQIHNJKBYIELQ-ZIAGYGMSSA-N 0 0 335.356 3.006 10 5 EGBERN COc1c(Cl)cc(NCc2cn(C)nc2[N+](=O)[O-])cc1Cl ZINC000876855893 1299036443 /nfs/dbraw/zinc/03/64/43/1299036443.db2.gz FJWXYXAQIWJIDT-UHFFFAOYSA-N 0 0 331.159 3.256 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000878499482 1300038005 /nfs/dbraw/zinc/03/80/05/1300038005.db2.gz VGRSVQBXQMEIEB-GFCCVEGCSA-N 0 0 334.372 3.018 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cccc1[N+](=O)[O-] ZINC000884699121 1302955472 /nfs/dbraw/zinc/95/54/72/1302955472.db2.gz XWJSMBVTOOUTBM-MHMFGPJMSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000886001306 1303314174 /nfs/dbraw/zinc/31/41/74/1303314174.db2.gz XKPNQDQUINEDIB-OTYXRUKQSA-N 0 0 339.189 3.277 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@H]2CCCCO2)CC1 ZINC000887089945 1303670254 /nfs/dbraw/zinc/67/02/54/1303670254.db2.gz AUMUYWAWYDGVEU-BFFYNSAMSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000888017217 1304015430 /nfs/dbraw/zinc/01/54/30/1304015430.db2.gz JITFPRJYCSVVIY-ZJNQMXKESA-N 0 0 328.290 3.409 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000890172167 1304691837 /nfs/dbraw/zinc/69/18/37/1304691837.db2.gz JNTZZGHSQFURRV-KBXCAEBGSA-N 0 0 344.411 3.407 10 5 EGBERN Cc1cc(C2(C(=O)OCc3c(C)ccc([N+](=O)[O-])c3C)CC2)on1 ZINC000893300929 1305815398 /nfs/dbraw/zinc/81/53/98/1305815398.db2.gz SMUWQODLPVHVAB-UHFFFAOYSA-N 0 0 330.340 3.283 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCn3c(C)cnc32)c1 ZINC000893518661 1305945184 /nfs/dbraw/zinc/94/51/84/1305945184.db2.gz LLQRRXSNGQXTSR-ZDUSSCGKSA-N 0 0 333.369 3.123 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000893529214 1305952128 /nfs/dbraw/zinc/95/21/28/1305952128.db2.gz OCTSRKMSIUPKEY-CQSZACIVSA-N 0 0 329.356 3.066 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nccs2)C1 ZINC000893527790 1305952291 /nfs/dbraw/zinc/95/22/91/1305952291.db2.gz HAEXWWMTRYSHJH-YIALFULDSA-N 0 0 329.381 3.081 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)OCCc2ccccc21 ZINC000893809562 1306082056 /nfs/dbraw/zinc/08/20/56/1306082056.db2.gz XHPATLNTFTUUOK-IBGZPJMESA-N 0 0 340.379 3.121 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893858647 1306101042 /nfs/dbraw/zinc/10/10/42/1306101042.db2.gz RHMQAPCRUQQDGF-YPMHNXCESA-N 0 0 340.807 3.492 10 5 EGBERN CCc1[nH]c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894315740 1306339093 /nfs/dbraw/zinc/33/90/93/1306339093.db2.gz HZNJWVYPSQQPAS-LBPRGKRZSA-N 0 0 345.399 3.431 10 5 EGBERN C[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000894671149 1309016160 /nfs/dbraw/zinc/01/61/60/1309016160.db2.gz BELXBAKRQCOVCC-MOTZXUDYSA-N 0 0 344.411 3.464 10 5 EGBERN Cc1c(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000894673900 1309016984 /nfs/dbraw/zinc/01/69/84/1309016984.db2.gz RECHOLUHPXTWGE-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN O=C(NC1(C2CC2)CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000895356934 1309298253 /nfs/dbraw/zinc/29/82/53/1309298253.db2.gz ACSVSAGTUHVUER-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN O=[N+]([O-])c1sc(CN2C[C@@H]3CSC[C@@H]3C2)cc1Br ZINC000895776523 1309514143 /nfs/dbraw/zinc/51/41/43/1309514143.db2.gz HAUAYENZUZHGEB-OCAPTIKFSA-N 0 0 349.275 3.214 10 5 EGBERN CC(=O)c1cc(N2CCn3nc(C(C)(C)C)cc3C2)ccc1[N+](=O)[O-] ZINC000896226112 1309754164 /nfs/dbraw/zinc/75/41/64/1309754164.db2.gz ALPLTTRPVRTFES-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C2CCOCC2)C1 ZINC000896588934 1309927096 /nfs/dbraw/zinc/92/70/96/1309927096.db2.gz IUMCCDKWKUEHRW-OAHLLOKOSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C ZINC000897314889 1310286268 /nfs/dbraw/zinc/28/62/68/1310286268.db2.gz CENOHBMSGRBUSJ-UKRRQHHQSA-N 0 0 334.416 3.081 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000897568245 1310385447 /nfs/dbraw/zinc/38/54/47/1310385447.db2.gz RBZMZSTURNRQAD-HZPDHXFCSA-N 0 0 332.400 3.440 10 5 EGBERN C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000898395961 1310711020 /nfs/dbraw/zinc/71/10/20/1310711020.db2.gz CPNHJABXCBQRIH-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000857637199 1328570753 /nfs/dbraw/zinc/57/07/53/1328570753.db2.gz XYSQIXAWRXWNPW-HTQZYQBOSA-N 0 0 348.233 3.387 10 5 EGBERN O=C(OCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000857652745 1328576033 /nfs/dbraw/zinc/57/60/33/1328576033.db2.gz LTJGPCKISGEREN-CYBMUJFWSA-N 0 0 349.364 3.181 10 5 EGBERN Cc1cnc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c([N+](=O)[O-])c1 ZINC000858008229 1328655460 /nfs/dbraw/zinc/65/54/60/1328655460.db2.gz BNZVSJJDRKBAIP-OAHLLOKOSA-N 0 0 340.383 3.228 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2ncccn2)C1 ZINC000899526139 1317073198 /nfs/dbraw/zinc/07/31/98/1317073198.db2.gz QOULBWUFSDQXRL-LBPRGKRZSA-N 0 0 346.774 3.058 10 5 EGBERN Cc1csc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000899543019 1317081910 /nfs/dbraw/zinc/08/19/10/1317081910.db2.gz XZASSPHDPLKWTA-ZDUSSCGKSA-N 0 0 345.424 3.455 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858097085 1328682154 /nfs/dbraw/zinc/68/21/54/1328682154.db2.gz ZINURSRECXZSAL-ZDUSSCGKSA-N 0 0 347.371 3.147 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCOC12CCCC2 ZINC000930159453 1328800945 /nfs/dbraw/zinc/80/09/45/1328800945.db2.gz HGLBVSVKBDSGEI-ZDUSSCGKSA-N 0 0 339.779 3.471 10 5 EGBERN Cc1ccc(C)c(C(=O)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000913369701 1319015976 /nfs/dbraw/zinc/01/59/76/1319015976.db2.gz KZDNKKFILYMKMQ-UHFFFAOYSA-N 0 0 340.379 3.441 10 5 EGBERN C[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000913385105 1319020035 /nfs/dbraw/zinc/02/00/35/1319020035.db2.gz PLEUHNRUGUFXKX-RXMQYKEDSA-N 0 0 328.649 3.202 10 5 EGBERN CC[C@@H]1CCC[C@@]1(C)C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000913531222 1319058963 /nfs/dbraw/zinc/05/89/63/1319058963.db2.gz GZWPHDIODDWLPT-FZKQIMNGSA-N 0 0 348.399 3.119 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000913585060 1319062552 /nfs/dbraw/zinc/06/25/52/1319062552.db2.gz UBJGMZFETKZSDB-SECBINFHSA-N 0 0 334.763 3.039 10 5 EGBERN CCOc1ncccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930182635 1328806330 /nfs/dbraw/zinc/80/63/30/1328806330.db2.gz SDFBILDYZMENSX-UHFFFAOYSA-N 0 0 333.319 3.099 10 5 EGBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N(c1ccccc1)C1CCC1 ZINC000913673607 1319095041 /nfs/dbraw/zinc/09/50/41/1319095041.db2.gz LXICMNQMHJNBSB-KRWDZBQOSA-N 0 0 326.352 3.214 10 5 EGBERN COc1cc(NC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1OC ZINC000858660313 1328820294 /nfs/dbraw/zinc/82/02/94/1328820294.db2.gz ZBLRNOYCNCEVEE-AWEZNQCLSA-N 0 0 344.367 3.165 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1CCSC(F)(F)F ZINC000916773275 1319706380 /nfs/dbraw/zinc/70/63/80/1319706380.db2.gz SQIKLYGRPZFSIT-UHFFFAOYSA-N 0 0 334.117 3.115 10 5 EGBERN CC(C)(C)[NH+]1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000917090711 1319754153 /nfs/dbraw/zinc/75/41/53/1319754153.db2.gz ICURPSTXPVBZPL-ALCCZGGFSA-N 0 0 347.415 3.367 10 5 EGBERN COc1ccc(CNC(=S)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000917597837 1319846692 /nfs/dbraw/zinc/84/66/92/1319846692.db2.gz UEKHKSHYFUXZGI-UHFFFAOYSA-N 0 0 331.397 3.398 10 5 EGBERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1C(=O)OC(C)(C)C ZINC000858780292 1328859853 /nfs/dbraw/zinc/85/98/53/1328859853.db2.gz MHRVJMRBLXFJJL-YPMHNXCESA-N 0 0 336.392 3.190 10 5 EGBERN CCc1onc(C)c1COc1ccc(Br)nc1[N+](=O)[O-] ZINC000918660061 1319985126 /nfs/dbraw/zinc/98/51/26/1319985126.db2.gz WBUFMXFAFYQWEV-UHFFFAOYSA-N 0 0 342.149 3.190 10 5 EGBERN CC(C)(CNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000858801301 1328864742 /nfs/dbraw/zinc/86/47/42/1328864742.db2.gz CHGPTTCJJYWQCO-UHFFFAOYSA-N 0 0 325.796 3.309 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nnc(C(F)F)s1 ZINC000930666548 1328929836 /nfs/dbraw/zinc/92/98/36/1328929836.db2.gz WBBNTPKNOKWGIO-UHFFFAOYSA-N 0 0 346.290 3.094 10 5 EGBERN Cc1cc(NC(=O)N2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000930732692 1328952909 /nfs/dbraw/zinc/95/29/09/1328952909.db2.gz RSYPLBBMTDJWFB-NSHDSACASA-N 0 0 349.334 3.415 10 5 EGBERN CC(C)C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C ZINC000859450697 1328989615 /nfs/dbraw/zinc/98/96/15/1328989615.db2.gz UMVZHCIHBJFBOP-NSHDSACASA-N 0 0 327.333 3.101 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000930861181 1328989797 /nfs/dbraw/zinc/98/97/97/1328989797.db2.gz ADZNZBPVVWAYKD-BBRMVZONSA-N 0 0 333.388 3.291 10 5 EGBERN O=C1CCCCN1c1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000919722555 1322098970 /nfs/dbraw/zinc/09/89/70/1322098970.db2.gz JEZMNBGBYYOXKH-UHFFFAOYSA-N 0 0 326.356 3.119 10 5 EGBERN COc1cc(C(=O)OC[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000920333283 1322164633 /nfs/dbraw/zinc/16/46/33/1322164633.db2.gz MTXPNQLCUDILTE-HTQZYQBOSA-N 0 0 331.271 3.018 10 5 EGBERN CCc1cnc(CCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000920789517 1322223108 /nfs/dbraw/zinc/22/31/08/1322223108.db2.gz DREPLIMPDSOEKA-LLVKDONJSA-N 0 0 348.428 3.217 10 5 EGBERN CC[C@H](NC(=O)N[C@]12C[C@H]1COC21CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921335586 1322294953 /nfs/dbraw/zinc/29/49/53/1322294953.db2.gz NJEIANPNIKUHAI-DHSIGJKJSA-N 0 0 345.399 3.057 10 5 EGBERN C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000921420113 1322310730 /nfs/dbraw/zinc/31/07/30/1322310730.db2.gz UVJZLWPUTLSGQX-GXSJLCMTSA-N 0 0 343.836 3.332 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000921420114 1322311648 /nfs/dbraw/zinc/31/16/48/1322311648.db2.gz UVJZLWPUTLSGQX-KOLCDFICSA-N 0 0 343.836 3.332 10 5 EGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCOC1 ZINC000922134571 1322463138 /nfs/dbraw/zinc/46/31/38/1322463138.db2.gz IPTCCJCIVBNFEO-JQWIXIFHSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cccc(C(=O)OCc2cc(C(F)(F)F)nn2C)c1[N+](=O)[O-] ZINC000922142310 1322465173 /nfs/dbraw/zinc/46/51/73/1322465173.db2.gz ZJUWYRFARRBYRB-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CCCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000922168282 1322470240 /nfs/dbraw/zinc/47/02/40/1322470240.db2.gz NWEPAFYZOBVIFU-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922178825 1322472626 /nfs/dbraw/zinc/47/26/26/1322472626.db2.gz SOOWRAMRURJWMX-PZYYDSKJSA-N 0 0 345.273 3.261 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922178827 1322472812 /nfs/dbraw/zinc/47/28/12/1322472812.db2.gz SOOWRAMRURJWMX-RUDQLMKASA-N 0 0 345.273 3.261 10 5 EGBERN Cc1c(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922183405 1322474235 /nfs/dbraw/zinc/47/42/35/1322474235.db2.gz DILPYCZPOMVFGU-SKDRFNHKSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1c(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922183399 1322474268 /nfs/dbraw/zinc/47/42/68/1322474268.db2.gz DILPYCZPOMVFGU-BXKDBHETSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1F ZINC000922354376 1322508479 /nfs/dbraw/zinc/50/84/79/1322508479.db2.gz CGXWOLMFJWHWKD-KCJUWKMLSA-N 0 0 337.225 3.001 10 5 EGBERN Cc1c(CC(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922547078 1322553751 /nfs/dbraw/zinc/55/37/51/1322553751.db2.gz LKGIQICQEWJMJV-YPMHNXCESA-N 0 0 347.289 3.099 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922716229 1322601109 /nfs/dbraw/zinc/60/11/09/1322601109.db2.gz PQOXIPOTNGTJTH-KEYYUXOJSA-N 0 0 349.431 3.406 10 5 EGBERN CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859649062 1329045036 /nfs/dbraw/zinc/04/50/36/1329045036.db2.gz FVIQTDUYDQRQBT-JSGCOSHPSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1C[C@@]12CCOC2 ZINC000923596975 1322779300 /nfs/dbraw/zinc/77/93/00/1322779300.db2.gz BSKKCLYICJNJPK-MLGOLLRUSA-N 0 0 339.775 3.151 10 5 EGBERN Cc1ccc(N(CC2CC2)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000923677612 1322789189 /nfs/dbraw/zinc/78/91/89/1322789189.db2.gz LTAZUSGQCLDZKZ-UHFFFAOYSA-N 0 0 327.340 3.061 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@@H]1C[C@]12CCOC2 ZINC000923961160 1322855837 /nfs/dbraw/zinc/85/58/37/1322855837.db2.gz HLIJQNSDTLVTJB-ZBEGNZNMSA-N 0 0 339.775 3.151 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCCOC(F)(F)F ZINC000923962002 1322856876 /nfs/dbraw/zinc/85/68/76/1322856876.db2.gz MDRXBJJANGADCP-UHFFFAOYSA-N 0 0 339.241 3.136 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1Cl ZINC000924209052 1322934837 /nfs/dbraw/zinc/93/48/37/1322934837.db2.gz CXKDJYGQFYAIPK-NSHDSACASA-N 0 0 338.791 3.327 10 5 EGBERN CCc1onc(C)c1COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000924241233 1322949568 /nfs/dbraw/zinc/94/95/68/1322949568.db2.gz YZOTVBHNUGGYRI-UHFFFAOYSA-N 0 0 338.747 3.393 10 5 EGBERN Cc1noc(COC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000924256849 1322954361 /nfs/dbraw/zinc/95/43/61/1322954361.db2.gz AIOUJNHHVDJSDM-KGLIPLIRSA-N 0 0 330.340 3.203 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@]2(C)C=CCC2)cccc1[N+](=O)[O-] ZINC000924410319 1323011339 /nfs/dbraw/zinc/01/13/39/1323011339.db2.gz ODTYBVWODJOQSB-SJCJKPOMSA-N 0 0 332.356 3.130 10 5 EGBERN Cn1nccc1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297687 1329088409 /nfs/dbraw/zinc/08/84/09/1329088409.db2.gz NLDXZHJDCVTAKO-LBPRGKRZSA-N 0 0 349.778 3.351 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cn1ccc(C(F)F)n1 ZINC000859927925 1329112429 /nfs/dbraw/zinc/11/24/29/1329112429.db2.gz CKKQAEUNXJTELS-SNVBAGLBSA-N 0 0 339.298 3.342 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOC12CCCC2 ZINC000931493996 1329130527 /nfs/dbraw/zinc/13/05/27/1329130527.db2.gz CBDUEOBGFCKFKE-HNNXBMFYSA-N 0 0 333.388 3.380 10 5 EGBERN Cc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(C)n1[C@H]1CCOC1 ZINC000860253619 1329183139 /nfs/dbraw/zinc/18/31/39/1329183139.db2.gz LHNVSQGBUBSRPP-INIZCTEOSA-N 0 0 344.367 3.332 10 5 EGBERN C[C@H](O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860376476 1329311110 /nfs/dbraw/zinc/31/11/10/1329311110.db2.gz DPXXVWJJZYVBOZ-GXTWGEPZSA-N 0 0 328.368 3.124 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000860522487 1329326729 /nfs/dbraw/zinc/32/67/29/1329326729.db2.gz OBGOMZNRPDNHEF-DABQJJPHSA-N 0 0 328.368 3.434 10 5 EGBERN CO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860731433 1329348866 /nfs/dbraw/zinc/34/88/66/1329348866.db2.gz DCAMPXQKMYKZGP-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069763 1329385217 /nfs/dbraw/zinc/38/52/17/1329385217.db2.gz WHLCTZFBXWLYLE-YDEXJTGXSA-N 0 0 327.768 3.182 10 5 EGBERN CSC1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000927389679 1328000731 /nfs/dbraw/zinc/00/07/31/1328000731.db2.gz BBOKWGROMFUWOZ-UHFFFAOYSA-N 0 0 338.429 3.012 10 5 EGBERN O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000928053604 1328180389 /nfs/dbraw/zinc/18/03/89/1328180389.db2.gz VEODGTYWLSAOLF-SJORKVTESA-N 0 0 326.352 3.045 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928596470 1328368022 /nfs/dbraw/zinc/36/80/22/1328368022.db2.gz RMXNEOZHLBGYFB-SNVBAGLBSA-N 0 0 349.412 3.262 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(F)c2)C2CCC2)n1 ZINC000928665474 1328386086 /nfs/dbraw/zinc/38/60/86/1328386086.db2.gz SDTAIYKAZKZYSJ-UHFFFAOYSA-N 0 0 346.362 3.145 10 5 EGBERN CCc1n[nH]c(C(=O)N(Cc2cccc(F)c2)C2CCC2)c1[N+](=O)[O-] ZINC000928665946 1328386852 /nfs/dbraw/zinc/38/68/52/1328386852.db2.gz HHNSVVJNBPENKL-UHFFFAOYSA-N 0 0 346.362 3.214 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929132497 1328514526 /nfs/dbraw/zinc/51/45/26/1328514526.db2.gz DNEUVFPZXSLOGL-ZYHUDNBSSA-N 0 0 332.278 3.342 10 5 EGBERN CC(=O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861862071 1329446307 /nfs/dbraw/zinc/44/63/07/1329446307.db2.gz WYOMFZNHGZVPPN-KRWDZBQOSA-N 0 0 326.352 3.332 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861938049 1329451880 /nfs/dbraw/zinc/45/18/80/1329451880.db2.gz SKOAWFBQBSPHOS-NSHDSACASA-N 0 0 326.780 3.137 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862144265 1329462026 /nfs/dbraw/zinc/46/20/26/1329462026.db2.gz VXOQSXZMJRXHNW-MGCOHNPYSA-N 0 0 326.780 3.324 10 5 EGBERN CC1(C)CCC[C@H]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000862363957 1329477987 /nfs/dbraw/zinc/47/79/87/1329477987.db2.gz XXPYHJBWDDZLSP-AWEZNQCLSA-N 0 0 348.399 3.119 10 5 EGBERN CCC(NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)(C1CC1)C1CC1 ZINC000862685081 1329502884 /nfs/dbraw/zinc/50/28/84/1329502884.db2.gz AEJXSOFZUNQDPF-UHFFFAOYSA-N 0 0 336.363 3.198 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000862717857 1329504975 /nfs/dbraw/zinc/50/49/75/1329504975.db2.gz YHYSOBDKURFUNS-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN C/C(=C/C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862865155 1329516316 /nfs/dbraw/zinc/51/63/16/1329516316.db2.gz OOKJCKSPHDFZAD-LCYFTJDESA-N 0 0 326.352 3.292 10 5 EGBERN CCOC(=O)C1=CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000862879136 1329517486 /nfs/dbraw/zinc/51/74/86/1329517486.db2.gz QDTIUFGLYCOZNN-CQSZACIVSA-N 0 0 346.383 3.100 10 5 EGBERN C/C=C(/C=C/C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)CC ZINC000863301664 1329545175 /nfs/dbraw/zinc/54/51/75/1329545175.db2.gz YEOYQNNMUPJZCP-KVLWGXOFSA-N 0 0 346.383 3.012 10 5 EGBERN C/C=C\C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339918 1329548275 /nfs/dbraw/zinc/54/82/75/1329548275.db2.gz GSSSACRRRIFNOV-MPNWYJEXSA-N 0 0 341.415 3.489 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000863651372 1329570662 /nfs/dbraw/zinc/57/06/62/1329570662.db2.gz JWDOXCNSOLOPOG-CYBMUJFWSA-N 0 0 344.342 3.378 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000863817111 1329583633 /nfs/dbraw/zinc/58/36/33/1329583633.db2.gz HEQISEVANVPBOR-QUCGXOGASA-N 0 0 346.412 3.418 10 5 EGBERN CCCN1C(=O)N(c2ccc([N+](=O)[O-])c3ccncc32)C(=O)[C@H]1CC ZINC000864565779 1329626386 /nfs/dbraw/zinc/62/63/86/1329626386.db2.gz LROSVBWPDKKFMW-CYBMUJFWSA-N 0 0 342.355 3.100 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000865028594 1329662817 /nfs/dbraw/zinc/66/28/17/1329662817.db2.gz NWRLLXJTLJFSFO-MSOLQXFVSA-N 0 0 340.379 3.001 10 5 EGBERN CN1C(=O)/C(=C\c2ccnn2CC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000865225969 1329677652 /nfs/dbraw/zinc/67/76/52/1329677652.db2.gz NARNRSXJNCJUML-SXGWCWSVSA-N 0 0 338.367 3.108 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CC2(CO1)CCOCC2 ZINC000865359546 1329688650 /nfs/dbraw/zinc/68/86/50/1329688650.db2.gz ORQRMOVWMPBUSR-LLVKDONJSA-N 0 0 327.764 3.213 10 5 EGBERN CCOC(=O)c1cccc(COc2ccc(CC)cc2[N+](=O)[O-])n1 ZINC000865358255 1329688680 /nfs/dbraw/zinc/68/86/80/1329688680.db2.gz YPAPLRGDZREKBR-UHFFFAOYSA-N 0 0 330.340 3.308 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Sc1nccn1C1CC1 ZINC000865426041 1329695783 /nfs/dbraw/zinc/69/57/83/1329695783.db2.gz ZEYAAMRBQXJXTE-UHFFFAOYSA-N 0 0 333.295 3.030 10 5 EGBERN CC1(C)CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC2(CCCC2)O1 ZINC000865714306 1329731950 /nfs/dbraw/zinc/73/19/50/1329731950.db2.gz LDCXBFZZRLTVEW-UHFFFAOYSA-N 0 0 338.379 3.154 10 5 EGBERN CC(=O)c1ccc(N(C)Cc2c(C)nn(C)c2Cl)c([N+](=O)[O-])c1 ZINC000865904052 1329750647 /nfs/dbraw/zinc/75/06/47/1329750647.db2.gz JIKQGATWTVRAGM-UHFFFAOYSA-N 0 0 336.779 3.129 10 5 EGBERN CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000865982261 1329756828 /nfs/dbraw/zinc/75/68/28/1329756828.db2.gz UWWBUILAFXYCLZ-UHFFFAOYSA-N 0 0 341.205 3.301 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000866051640 1330059710 /nfs/dbraw/zinc/05/97/10/1330059710.db2.gz GWPSEWLDTYHMMZ-HKUYNNGSSA-N 0 0 340.379 3.500 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H]2[C@H](O)c2ccccc2)nc2sccn21 ZINC000866053010 1330059950 /nfs/dbraw/zinc/05/99/50/1330059950.db2.gz OUTFYUIARHJMSW-CHWSQXEVSA-N 0 0 344.396 3.006 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000866076503 1330062882 /nfs/dbraw/zinc/06/28/82/1330062882.db2.gz UKOHZWLCJLPTNJ-DTWKUNHWSA-N 0 0 340.248 3.139 10 5 EGBERN Cc1nn(C)c(NCc2ccccc2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000866095444 1330065093 /nfs/dbraw/zinc/06/50/93/1330065093.db2.gz HLWMELJVRYQZCP-UHFFFAOYSA-N 0 0 346.387 3.204 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC34CCOCC4)c21 ZINC000866174551 1330073371 /nfs/dbraw/zinc/07/33/71/1330073371.db2.gz KIRZTVTULBEAIW-GFCCVEGCSA-N 0 0 328.372 3.157 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCSCCC(F)(F)F ZINC000866182958 1330074873 /nfs/dbraw/zinc/07/48/73/1330074873.db2.gz JITKGMSBOLARBU-UHFFFAOYSA-N 0 0 326.344 3.217 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1cn(C)c2ncccc12 ZINC000866195847 1330077045 /nfs/dbraw/zinc/07/70/45/1330077045.db2.gz JFRKGLKPMSUGQM-UHFFFAOYSA-N 0 0 340.383 3.283 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CSC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000866199690 1330077583 /nfs/dbraw/zinc/07/75/83/1330077583.db2.gz CQGGLPUPJDLHLR-IUCAKERBSA-N 0 0 333.335 3.198 10 5 EGBERN COc1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)cc1 ZINC000866235913 1330082700 /nfs/dbraw/zinc/08/27/00/1330082700.db2.gz OZEOEFQMWFVDCO-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN CCc1cc(NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000867977544 1330235544 /nfs/dbraw/zinc/23/55/44/1330235544.db2.gz KEPFWKLUCVGBRY-GOSISDBHSA-N 0 0 327.384 3.278 10 5 EGBERN CCOC(CN(CC)C(=O)c1ccc(CC)c([N+](=O)[O-])c1)OCC ZINC000868771637 1330338975 /nfs/dbraw/zinc/33/89/75/1330338975.db2.gz CADQVLNKGTUHOY-UHFFFAOYSA-N 0 0 338.404 3.018 10 5 EGBERN Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000869053473 1330403210 /nfs/dbraw/zinc/40/32/10/1330403210.db2.gz APDNHGOXSPNFAI-CVEARBPZSA-N 0 0 347.415 3.002 10 5 EGBERN Cc1ccc(CNC(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000869054039 1330404213 /nfs/dbraw/zinc/40/42/13/1330404213.db2.gz DXSZNEJTLZRXIE-VXGBXAGGSA-N 0 0 341.358 3.336 10 5 EGBERN CC(C)(C(=O)OCc1coc(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000869407591 1330485206 /nfs/dbraw/zinc/48/52/06/1330485206.db2.gz SNXMDSZTOBKHOJ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCSC1 ZINC000869599274 1330530810 /nfs/dbraw/zinc/53/08/10/1330530810.db2.gz LTTPMLIGVOHUAL-SNVBAGLBSA-N 0 0 328.821 3.430 10 5 EGBERN CC(C)(C)[C@@H]1C[C@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000869650409 1330540661 /nfs/dbraw/zinc/54/06/61/1330540661.db2.gz OLNLSBFYFWTBKE-ZIAGYGMSSA-N 0 0 335.356 3.187 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000869746023 1330558369 /nfs/dbraw/zinc/55/83/69/1330558369.db2.gz AHUGEBBOSVNXMO-MRXNPFEDSA-N 0 0 329.400 3.258 10 5 EGBERN O=C(OCCc1cscn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810435 1330568438 /nfs/dbraw/zinc/56/84/38/1330568438.db2.gz HFJIOOLQIFPSCU-UHFFFAOYSA-N 0 0 332.381 3.259 10 5 EGBERN C[C@@H](OC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000869855461 1330577381 /nfs/dbraw/zinc/57/73/81/1330577381.db2.gz OFBAWKJZWBQZAS-VXGBXAGGSA-N 0 0 329.356 3.292 10 5 EGBERN C[C@H]1CCn2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)nc2C1 ZINC000869855221 1330577394 /nfs/dbraw/zinc/57/73/94/1330577394.db2.gz CHFMMDUTGQHVJT-JTQLQIEISA-N 0 0 349.774 3.384 10 5 EGBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])c1c(Cl)n[nH]c1C1CC1 ZINC000869905834 1330587054 /nfs/dbraw/zinc/58/70/54/1330587054.db2.gz SATQMQDIFHBILE-UHFFFAOYSA-N 0 0 339.710 3.345 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(c3ccc(Cl)cc3)C2)n1 ZINC001183478149 1387311617 /nfs/dbraw/zinc/31/16/17/1387311617.db2.gz MGNIHLJXUMXNEB-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN CCC(=CC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1)CC ZINC001323910895 1387495340 /nfs/dbraw/zinc/49/53/40/1387495340.db2.gz ZPOBOGADNWILAL-UHFFFAOYSA-N 0 0 337.445 3.045 10 5 EGBERN Cc1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(Cl)n1 ZINC001324043309 1387517382 /nfs/dbraw/zinc/51/73/82/1387517382.db2.gz VXPHZWDSNUMPDZ-UHFFFAOYSA-N 0 0 345.786 3.079 10 5 EGBERN C[C@H]1CC[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001185313492 1387679465 /nfs/dbraw/zinc/67/94/65/1387679465.db2.gz MHIBVBWZGLNTQJ-XYPYZODXSA-N 0 0 330.344 3.464 10 5 EGBERN COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001185313257 1387679493 /nfs/dbraw/zinc/67/94/93/1387679493.db2.gz JNJALCSMLNLARY-UHFFFAOYSA-N 0 0 345.399 3.465 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001185488071 1387728899 /nfs/dbraw/zinc/72/88/99/1387728899.db2.gz DZHBGFOYHGXDBK-MRXNPFEDSA-N 0 0 339.395 3.302 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)CO2)c1 ZINC001324774128 1387767917 /nfs/dbraw/zinc/76/79/17/1387767917.db2.gz HITITNKMJWFBEW-NVXWUHKLSA-N 0 0 348.443 3.427 10 5 EGBERN Cc1nc(NC[C@H](O)c2cc3ccccc3s2)ncc1[N+](=O)[O-] ZINC001185726594 1387785211 /nfs/dbraw/zinc/78/52/11/1387785211.db2.gz NSJRVYIZLQEJSZ-LBPRGKRZSA-N 0 0 330.369 3.053 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001105435743 1366467520 /nfs/dbraw/zinc/46/75/20/1366467520.db2.gz ASDUCRADDMAIBT-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC001186540180 1387966448 /nfs/dbraw/zinc/96/64/48/1387966448.db2.gz JOLCPBMSFOAVHF-GFCCVEGCSA-N 0 0 343.408 3.256 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001186672810 1387996844 /nfs/dbraw/zinc/99/68/44/1387996844.db2.gz FYDVITNJUHUASP-OLUVUFQESA-N 0 0 328.328 3.074 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3(CCCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001186690162 1387997988 /nfs/dbraw/zinc/99/79/88/1387997988.db2.gz YZDPRQSNZYAXQT-HNNXBMFYSA-N 0 0 347.415 3.490 10 5 EGBERN C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001186864545 1388017562 /nfs/dbraw/zinc/01/75/62/1388017562.db2.gz LCCWCVJKLHYNQQ-UTUOFQBUSA-N 0 0 327.812 3.158 10 5 EGBERN Cc1cc(Oc2nc3ccc([N+](=O)[O-])cc3s2)ccc1C(N)=O ZINC001187064082 1388046812 /nfs/dbraw/zinc/04/68/12/1388046812.db2.gz QHIOIFFFEDITKF-UHFFFAOYSA-N 0 0 329.337 3.404 10 5 EGBERN CCNc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001187242749 1388080048 /nfs/dbraw/zinc/08/00/48/1388080048.db2.gz NDNWXFJYHKSBKJ-UHFFFAOYSA-N 0 0 341.346 3.143 10 5 EGBERN CCOC(=O)c1ccnc(NCc2csc(C)c2C)c1[N+](=O)[O-] ZINC001187280251 1388086721 /nfs/dbraw/zinc/08/67/21/1388086721.db2.gz KPMFPAPABDWGSU-UHFFFAOYSA-N 0 0 335.385 3.457 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001116075230 1370832808 /nfs/dbraw/zinc/83/28/08/1370832808.db2.gz CMCDKYBCIBQVSQ-XFLKPENQSA-N 0 0 330.306 3.211 10 5 EGBERN CCOC(=O)c1ccnc(NCc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC001187414163 1388104499 /nfs/dbraw/zinc/10/44/99/1388104499.db2.gz AVFUPDXATKBPLX-UHFFFAOYSA-N 0 0 340.339 3.260 10 5 EGBERN COC(=O)c1ccc(OC)c2c1CCN(c1ccsc1[N+](=O)[O-])C2 ZINC001187503848 1388119057 /nfs/dbraw/zinc/11/90/57/1388119057.db2.gz SEERDUPWNUFEJQ-UHFFFAOYSA-N 0 0 348.380 3.014 10 5 EGBERN Nc1c(NC(=O)NC2CC3(CC3(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC001118576384 1371201829 /nfs/dbraw/zinc/20/18/29/1371201829.db2.gz YVRZRQHYNZCBFK-UHFFFAOYSA-N 0 0 346.721 3.140 10 5 EGBERN O=c1[nH]c2cc(CNc3ncnc4sc([N+](=O)[O-])cc43)ccc2o1 ZINC001187534736 1388122576 /nfs/dbraw/zinc/12/25/76/1388122576.db2.gz UQCJLCYVTVAYRG-UHFFFAOYSA-N 0 0 343.324 3.058 10 5 EGBERN CO[C@H]1CC[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001118928072 1371251375 /nfs/dbraw/zinc/25/13/75/1371251375.db2.gz IVFDIIZOVYWLJB-ONGXEEELSA-N 0 0 336.779 3.195 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1C=CCCC1 ZINC001118934053 1371252799 /nfs/dbraw/zinc/25/27/99/1371252799.db2.gz WOEHIFPWKXYSES-LLVKDONJSA-N 0 0 339.189 3.125 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC1CCC(O)CC1 ZINC001326211634 1388128329 /nfs/dbraw/zinc/12/83/29/1388128329.db2.gz ORQRFYHHEQYJIN-UHFFFAOYSA-N 0 0 339.413 3.415 10 5 EGBERN CC(C)Oc1ccnc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001326388753 1388175203 /nfs/dbraw/zinc/17/52/03/1388175203.db2.gz UDFLDNVDYNHZQY-UHFFFAOYSA-N 0 0 327.384 3.335 10 5 EGBERN O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCCC(F)F ZINC001187888621 1388183979 /nfs/dbraw/zinc/18/39/79/1388183979.db2.gz KFVDBNFFZWTEJU-UHFFFAOYSA-N 0 0 346.131 3.395 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H](CO)c1cc(F)ccc1F ZINC001187888634 1388184434 /nfs/dbraw/zinc/18/44/34/1388184434.db2.gz KMMZHHICTQTSMY-LLVKDONJSA-N 0 0 329.690 3.067 10 5 EGBERN O=c1[nH]c2ccccc2cc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC001187920654 1388190189 /nfs/dbraw/zinc/19/01/89/1388190189.db2.gz ILPBKKZOWHMBDG-UHFFFAOYSA-N 0 0 341.352 3.170 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@]23CCC[C@@H]2OCC3)c1 ZINC001123231618 1372402661 /nfs/dbraw/zinc/40/26/61/1372402661.db2.gz PICSXSFXYGKOPH-GOEBONIOSA-N 0 0 337.397 3.433 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001123255591 1372408299 /nfs/dbraw/zinc/40/82/99/1372408299.db2.gz KIRMSKXNNWOGAN-CYBMUJFWSA-N 0 0 330.340 3.431 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@]12CCCOC2 ZINC001124131212 1372678408 /nfs/dbraw/zinc/67/84/08/1372678408.db2.gz KWOLZLBOVPGHFM-MRXNPFEDSA-N 0 0 338.791 3.424 10 5 EGBERN COc1cccc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001124251083 1372687234 /nfs/dbraw/zinc/68/72/34/1372687234.db2.gz UFJXVJHQQSPFSK-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN C[C@H](COCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001124331835 1372692790 /nfs/dbraw/zinc/69/27/90/1372692790.db2.gz LOZHTBBCFPYETN-GFCCVEGCSA-N 0 0 332.331 3.493 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001124396577 1372698556 /nfs/dbraw/zinc/69/85/56/1372698556.db2.gz PWRSTKZYMWRQCQ-UHFFFAOYSA-N 0 0 344.302 3.288 10 5 EGBERN CCc1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC001124748401 1372727396 /nfs/dbraw/zinc/72/73/96/1372727396.db2.gz XPTUASNXHKEBLT-UHFFFAOYSA-N 0 0 342.689 3.131 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC001124789477 1372731506 /nfs/dbraw/zinc/73/15/06/1372731506.db2.gz WXUWHVMETQRGFG-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)n1 ZINC001125238361 1372762933 /nfs/dbraw/zinc/76/29/33/1372762933.db2.gz SVLLSMNRCCDQCI-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN CC(C)n1ncc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1Cl ZINC001125338142 1372771691 /nfs/dbraw/zinc/77/16/91/1372771691.db2.gz PZIAPHQVUQOLOZ-UHFFFAOYSA-N 0 0 326.715 3.417 10 5 EGBERN Cc1ccc(OC[C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001125512872 1372798793 /nfs/dbraw/zinc/79/87/93/1372798793.db2.gz SVUFVBKUKQFZJL-GFCCVEGCSA-N 0 0 332.331 3.240 10 5 EGBERN COc1ccc(OC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001125556930 1372806725 /nfs/dbraw/zinc/80/67/25/1372806725.db2.gz CZTFBRJNVRWVPE-UHFFFAOYSA-N 0 0 341.241 3.440 10 5 EGBERN Cc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2c1 ZINC001125911479 1372889024 /nfs/dbraw/zinc/88/90/24/1372889024.db2.gz RWKLIZPLPKXFAP-UHFFFAOYSA-N 0 0 336.351 3.144 10 5 EGBERN C[C@@H]1CCC[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001126199639 1372948056 /nfs/dbraw/zinc/94/80/56/1372948056.db2.gz MQDMXIROTAYKEW-OLZOCXBDSA-N 0 0 348.399 3.407 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H](C)C1 ZINC001126303050 1372955169 /nfs/dbraw/zinc/95/51/69/1372955169.db2.gz HCTOGMMKIWIULC-UDVXPWBQSA-N 0 0 346.383 3.456 10 5 EGBERN COc1cc(COC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])ccc1C ZINC001126346233 1372959338 /nfs/dbraw/zinc/95/93/38/1372959338.db2.gz MHSGPUCYZNKZKP-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN CC(C)CC1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC001127134884 1373095472 /nfs/dbraw/zinc/09/54/72/1373095472.db2.gz GANLELIZLNRWAE-UHFFFAOYSA-N 0 0 334.372 3.270 10 5 EGBERN COc1ccc(NC(=O)CCc2cccnc2Cl)cc1[N+](=O)[O-] ZINC001127386705 1373122370 /nfs/dbraw/zinc/12/23/70/1373122370.db2.gz STLHFEFLDHYUQG-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CCSC1 ZINC001127634112 1373151312 /nfs/dbraw/zinc/15/13/12/1373151312.db2.gz ZFMDETBBWLJIIB-CYBMUJFWSA-N 0 0 343.408 3.234 10 5 EGBERN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC001127695341 1373162692 /nfs/dbraw/zinc/16/26/92/1373162692.db2.gz VAQVHKQXSJLSSL-UHFFFAOYSA-N 0 0 333.731 3.407 10 5 EGBERN C/C(=C\c1ccncc1)C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001128002712 1373207982 /nfs/dbraw/zinc/20/79/82/1373207982.db2.gz OHQJRRGZTOHIDF-JLHYYAGUSA-N 0 0 341.367 3.203 10 5 EGBERN CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC001128281599 1373245625 /nfs/dbraw/zinc/24/56/25/1373245625.db2.gz QIBZIPAPQXXRQW-UWVGGRQHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cn(-c2ccccc2)cn1 ZINC001128305553 1373249894 /nfs/dbraw/zinc/24/98/94/1373249894.db2.gz SSYXLZPVECQKRN-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C/C(=C/c1ccncc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001128401124 1373262996 /nfs/dbraw/zinc/26/29/96/1373262996.db2.gz JGBDFNLODOTNAD-OWBHPGMISA-N 0 0 325.368 3.094 10 5 EGBERN O=C(Nc1ccc(OC(F)F)nc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001128431059 1373265810 /nfs/dbraw/zinc/26/58/10/1373265810.db2.gz XPXNNWKDLMJTNE-QWHCGFSZSA-N 0 0 349.293 3.333 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc3oc(=O)oc3c2)c1C ZINC001128450517 1373270088 /nfs/dbraw/zinc/27/00/88/1373270088.db2.gz CUHAWHJAQZEKRV-UHFFFAOYSA-N 0 0 329.264 3.130 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001128542462 1373286899 /nfs/dbraw/zinc/28/68/99/1373286899.db2.gz JPZAOICIDVLOOU-SMDDNHRTSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1ncccc1/C=C\C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001128863134 1373317745 /nfs/dbraw/zinc/31/77/45/1373317745.db2.gz DACCZZQYJNFEOV-KTKRTIGZSA-N 0 0 325.368 3.013 10 5 EGBERN Cc1ccc(COC(=O)c2ccc3nsnc3c2)cc1[N+](=O)[O-] ZINC001129134504 1373350114 /nfs/dbraw/zinc/35/01/14/1373350114.db2.gz CCMWYXBQOKYFPL-UHFFFAOYSA-N 0 0 329.337 3.265 10 5 EGBERN COc1nccc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)ccc21 ZINC001129168287 1373356844 /nfs/dbraw/zinc/35/68/44/1373356844.db2.gz QWWJQTGDEQEVJZ-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CC(=O)c1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cs1 ZINC001129217506 1373362354 /nfs/dbraw/zinc/36/23/54/1373362354.db2.gz ZBDWSBVNAHOHFX-UHFFFAOYSA-N 0 0 334.328 3.201 10 5 EGBERN Cc1ccc(COC(=O)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001129248059 1373365719 /nfs/dbraw/zinc/36/57/19/1373365719.db2.gz ZKEPIILIDYKIGV-UHFFFAOYSA-N 0 0 334.259 3.308 10 5 EGBERN COc1cc(C(=O)N(C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1F ZINC001129320739 1373371734 /nfs/dbraw/zinc/37/17/34/1373371734.db2.gz PASWCNQLJKXAMP-UHFFFAOYSA-N 0 0 347.346 3.085 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001129493114 1373390432 /nfs/dbraw/zinc/39/04/32/1373390432.db2.gz HDSLWUXTAOPANY-QGZVFWFLSA-N 0 0 329.400 3.478 10 5 EGBERN COC(=O)[C@H](C)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001129651947 1373408512 /nfs/dbraw/zinc/40/85/12/1373408512.db2.gz KYQKZVTYLNYFFU-GFCCVEGCSA-N 0 0 342.351 3.053 10 5 EGBERN Cc1cnnn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC001130128703 1373459078 /nfs/dbraw/zinc/45/90/78/1373459078.db2.gz WMXILYXDZSWRPY-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1nsc2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001130344605 1373498430 /nfs/dbraw/zinc/49/84/30/1373498430.db2.gz JRXMQHRUQAOVIH-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccnc1F ZINC001130375100 1373510001 /nfs/dbraw/zinc/51/00/01/1373510001.db2.gz OWHFWVFBGCIFMZ-QMMMGPOBSA-N 0 0 339.710 3.188 10 5 EGBERN Cn1cnc2cccc(C(=O)Nc3nccc4cc([N+](=O)[O-])ccc43)c21 ZINC001130954722 1373614785 /nfs/dbraw/zinc/61/47/85/1373614785.db2.gz JMMAYZZRBFWUKB-UHFFFAOYSA-N 0 0 347.334 3.282 10 5 EGBERN Cc1ncccc1/C=C/C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956571 1373615508 /nfs/dbraw/zinc/61/55/08/1373615508.db2.gz CGNBZXFZTYKCHE-FNORWQNLSA-N 0 0 334.335 3.498 10 5 EGBERN COC(=O)C1=CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001131194405 1373660038 /nfs/dbraw/zinc/66/00/38/1373660038.db2.gz BOUCSZJINCLRPK-HNNXBMFYSA-N 0 0 346.386 3.380 10 5 EGBERN CCOc1cncc(COC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 ZINC001131228685 1373665914 /nfs/dbraw/zinc/66/59/14/1373665914.db2.gz LKLRLCGJZJRFHT-UHFFFAOYSA-N 0 0 330.340 3.308 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N(CCC1CC1)CC1CC1 ZINC001131559116 1373720624 /nfs/dbraw/zinc/72/06/24/1373720624.db2.gz JPOROXCHFCSZJL-UHFFFAOYSA-N 0 0 331.416 3.436 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001131841727 1373832889 /nfs/dbraw/zinc/83/28/89/1373832889.db2.gz XLLWFSHTLWBBTI-DLBZAZTESA-N 0 0 347.415 3.104 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC001225483884 1375115781 /nfs/dbraw/zinc/11/57/81/1375115781.db2.gz KNWYOJUZEZYJFC-RDJZCZTQSA-N 0 0 331.416 3.263 10 5 EGBERN COc1cnc(F)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001132107569 1375151675 /nfs/dbraw/zinc/15/16/75/1375151675.db2.gz KVGHCPULFODDDY-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN Cc1sccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132131145 1375160501 /nfs/dbraw/zinc/16/05/01/1375160501.db2.gz XJRNESNNESWNNM-UHFFFAOYSA-N 0 0 335.341 3.444 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCCCO2 ZINC001132679936 1375510813 /nfs/dbraw/zinc/51/08/13/1375510813.db2.gz XMOJRRFPLYSYFQ-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN Cc1cccc(C(=O)NCc2noc3cc(F)ccc23)c1[N+](=O)[O-] ZINC001132717003 1375527623 /nfs/dbraw/zinc/52/76/23/1375527623.db2.gz AZINRTIBEFMTNU-UHFFFAOYSA-N 0 0 329.287 3.114 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001132960458 1375675638 /nfs/dbraw/zinc/67/56/38/1375675638.db2.gz VGRNPLRGSSVYKM-ZDUSSCGKSA-N 0 0 341.367 3.447 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001132996092 1375701478 /nfs/dbraw/zinc/70/14/78/1375701478.db2.gz YQUVIZRWVOQEIM-CYBMUJFWSA-N 0 0 330.388 3.337 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc2ncccc12 ZINC001133247691 1375867513 /nfs/dbraw/zinc/86/75/13/1375867513.db2.gz PEYZWBUUGCJRGA-UHFFFAOYSA-N 0 0 335.363 3.392 10 5 EGBERN Cc1cncc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001133681979 1376151020 /nfs/dbraw/zinc/15/10/20/1376151020.db2.gz DSPXJMCEQATJNE-UHFFFAOYSA-N 0 0 339.273 3.300 10 5 EGBERN COc1cc(C)ccc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001134494481 1376568273 /nfs/dbraw/zinc/56/82/73/1376568273.db2.gz AIIYLMBHJTWANA-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC001134502123 1376572209 /nfs/dbraw/zinc/57/22/09/1376572209.db2.gz SEIUITNUGUBXQQ-STQMWFEESA-N 0 0 340.379 3.452 10 5 EGBERN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001134564921 1376597506 /nfs/dbraw/zinc/59/75/06/1376597506.db2.gz RKEFLKORHUCHRT-GFCCVEGCSA-N 0 0 327.336 3.377 10 5 EGBERN CC(C)[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)sc2C1 ZINC001134832434 1376747841 /nfs/dbraw/zinc/74/78/41/1376747841.db2.gz AIVBBTMAPUHJGG-SNVBAGLBSA-N 0 0 348.428 3.403 10 5 EGBERN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001134926337 1376793514 /nfs/dbraw/zinc/79/35/14/1376793514.db2.gz CEWMQICHYNTVHR-BRXULGCHSA-N 0 0 348.399 3.033 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001135139756 1376928811 /nfs/dbraw/zinc/92/88/11/1376928811.db2.gz LMBYGFBGQKGTDV-NSHDSACASA-N 0 0 331.347 3.291 10 5 EGBERN Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)cc([N+](=O)[O-])c1 ZINC001135144932 1376933273 /nfs/dbraw/zinc/93/32/73/1376933273.db2.gz CYDZZEYOFRMABR-UHFFFAOYSA-N 0 0 339.351 3.065 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001135221081 1376982578 /nfs/dbraw/zinc/98/25/78/1376982578.db2.gz JDYBNHICGLHPBJ-NVXWUHKLSA-N 0 0 336.363 3.074 10 5 EGBERN CCNc1ccc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001135221356 1376982964 /nfs/dbraw/zinc/98/29/64/1376982964.db2.gz SGKBNOUEEFMCTI-SJLPKXTDSA-N 0 0 347.415 3.058 10 5 EGBERN COC(=O)c1ccc(OC)c(COc2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC001189173754 1388472914 /nfs/dbraw/zinc/47/29/14/1388472914.db2.gz MDRHIZVUTREHIR-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001135222160 1376984286 /nfs/dbraw/zinc/98/42/86/1376984286.db2.gz LDLRUPCENVEFHI-IMBTUZDBSA-N 0 0 344.411 3.116 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c(O)c1 ZINC001135566629 1377148939 /nfs/dbraw/zinc/14/89/39/1377148939.db2.gz OIGDFIWRYDDJLH-UHFFFAOYSA-N 0 0 338.323 3.047 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001265724123 1377163877 /nfs/dbraw/zinc/16/38/77/1377163877.db2.gz HHLUIFXWDXXPKE-MFKMUULPSA-N 0 0 330.388 3.416 10 5 EGBERN O=C(Nc1cccc(-n2cccc2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136162526 1377359756 /nfs/dbraw/zinc/35/97/56/1377359756.db2.gz VWDZXXYPNBNBKZ-KRWDZBQOSA-N 0 0 337.335 3.058 10 5 EGBERN O=C(NCCSC(F)(F)F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136259616 1377369515 /nfs/dbraw/zinc/36/95/15/1377369515.db2.gz BGTSJGVTKYPCHY-UHFFFAOYSA-N 0 0 346.689 3.370 10 5 EGBERN O=C(Nc1cnc(-c2ccccc2)s1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137552533 1377565108 /nfs/dbraw/zinc/56/51/08/1377565108.db2.gz XYGQQAFYUPYWEC-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nncn1-c1ccccc1 ZINC001137627534 1377575533 /nfs/dbraw/zinc/57/55/33/1377575533.db2.gz SSKGLBWNTPYMDA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(Cl)cc2C1 ZINC001137952348 1377652774 /nfs/dbraw/zinc/65/27/74/1377652774.db2.gz DGVVKQLENIKRSY-UHFFFAOYSA-N 0 0 331.759 3.029 10 5 EGBERN O=C(C[C@H]1CCC2(CCC2)CO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001138020946 1377666917 /nfs/dbraw/zinc/66/69/17/1377666917.db2.gz SIMKZXKSOTXSBF-GFCCVEGCSA-N 0 0 344.371 3.149 10 5 EGBERN O=C(Nc1cnccc1-c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001138209092 1377689820 /nfs/dbraw/zinc/68/98/20/1377689820.db2.gz HLYWJZNUONAJNW-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN C[C@H](CC1CCCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247261 1377693781 /nfs/dbraw/zinc/69/37/81/1377693781.db2.gz HVPJIYFFNREEHJ-CYBMUJFWSA-N 0 0 332.400 3.401 10 5 EGBERN O=C(NCc1cccc2cc[nH]c21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138251671 1377694296 /nfs/dbraw/zinc/69/42/96/1377694296.db2.gz IVORDXDJSKFSGA-SJORKVTESA-N 0 0 335.363 3.496 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001139892902 1377973325 /nfs/dbraw/zinc/97/33/25/1377973325.db2.gz WTCPFKUXFGBNLN-DZGCQCFKSA-N 0 0 332.306 3.088 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C2CC2)cc1 ZINC001141272745 1378289069 /nfs/dbraw/zinc/28/90/69/1378289069.db2.gz DDTLUAKOUUIQLG-KRWDZBQOSA-N 0 0 325.368 3.367 10 5 EGBERN CNc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(Cl)c1 ZINC001141367072 1378311899 /nfs/dbraw/zinc/31/18/99/1378311899.db2.gz MFSWNWWXPSRRMK-UHFFFAOYSA-N 0 0 331.759 3.493 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(O)cc1F ZINC001141425470 1378322404 /nfs/dbraw/zinc/32/24/04/1378322404.db2.gz OAAYTELPDFINET-UHFFFAOYSA-N 0 0 338.722 3.365 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccncc2)C1 ZINC001141673889 1378361441 /nfs/dbraw/zinc/36/14/41/1378361441.db2.gz BMFMKVWOWNXYED-CYBMUJFWSA-N 0 0 329.331 3.067 10 5 EGBERN Nc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1[N+](=O)[O-] ZINC001141767666 1378373060 /nfs/dbraw/zinc/37/30/60/1378373060.db2.gz OUZVKYOTQDBANR-SECBINFHSA-N 0 0 345.380 3.012 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cccc(N(C)C)c2)c1F ZINC001142767382 1378485017 /nfs/dbraw/zinc/48/50/17/1378485017.db2.gz DZNAJXNCVSYQOO-UHFFFAOYSA-N 0 0 349.337 3.177 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143383391 1378590764 /nfs/dbraw/zinc/59/07/64/1378590764.db2.gz QBABKMOBMZGHGP-NSHDSACASA-N 0 0 334.322 3.368 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C(F)(F)F)o1 ZINC001143750332 1378641392 /nfs/dbraw/zinc/64/13/92/1378641392.db2.gz MCTSXABACYBZIN-GFCCVEGCSA-N 0 0 344.245 3.235 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327587216 1388563702 /nfs/dbraw/zinc/56/37/02/1388563702.db2.gz CSDAFTLASXWSGI-UHFFFAOYSA-N 0 0 327.331 3.301 10 5 EGBERN Cc1csc(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001144155804 1378688699 /nfs/dbraw/zinc/68/86/99/1378688699.db2.gz BVLKLNNXLOHXQG-UHFFFAOYSA-N 0 0 343.368 3.026 10 5 EGBERN O=C(Nc1ccccc1CC(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001147112306 1378971252 /nfs/dbraw/zinc/97/12/52/1378971252.db2.gz LKZIHALZBHBEOO-UHFFFAOYSA-N 0 0 341.245 3.053 10 5 EGBERN Cc1cccc([C@@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)c1C ZINC001147537675 1379038742 /nfs/dbraw/zinc/03/87/42/1379038742.db2.gz FUGBIDUXFFOVJD-HNNXBMFYSA-N 0 0 340.383 3.166 10 5 EGBERN O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001149519388 1379396364 /nfs/dbraw/zinc/39/63/64/1379396364.db2.gz PTZUBZFEPDIPRO-UHFFFAOYSA-N 0 0 348.362 3.183 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)n[nH]1 ZINC001151843039 1379796651 /nfs/dbraw/zinc/79/66/51/1379796651.db2.gz KDYLWLVMRPQEPY-UHFFFAOYSA-N 0 0 346.240 3.047 10 5 EGBERN O=C(Nc1cnc2[nH]ccc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001154590883 1380312356 /nfs/dbraw/zinc/31/23/56/1380312356.db2.gz XBLFPPSRVJDZNK-UHFFFAOYSA-N 0 0 348.265 3.276 10 5 EGBERN C[C@H]1CCCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154854023 1380365558 /nfs/dbraw/zinc/36/55/58/1380365558.db2.gz TUJDYHXNMNAWGW-GXTWGEPZSA-N 0 0 344.415 3.346 10 5 EGBERN C[C@@H](CCC1CC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155153939 1380416907 /nfs/dbraw/zinc/41/69/07/1380416907.db2.gz ZLXXXLYROPNBNY-NSHDSACASA-N 0 0 328.372 3.293 10 5 EGBERN CCC(CC)(CCO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001155310165 1380435667 /nfs/dbraw/zinc/43/56/67/1380435667.db2.gz RPLAVNCDQMHLHW-UHFFFAOYSA-N 0 0 345.399 3.001 10 5 EGBERN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC001156888470 1380718248 /nfs/dbraw/zinc/71/82/48/1380718248.db2.gz YPRVMCFQXOXDBV-UHFFFAOYSA-N 0 0 327.315 3.421 10 5 EGBERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001157468331 1380921813 /nfs/dbraw/zinc/92/18/13/1380921813.db2.gz OVWQXOKPGRPWEI-TXEJJXNPSA-N 0 0 342.399 3.238 10 5 EGBERN Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c(N)c1[N+](=O)[O-] ZINC001158232537 1381168133 /nfs/dbraw/zinc/16/81/33/1381168133.db2.gz YMRFFGIVGJXULP-NSHDSACASA-N 0 0 348.384 3.046 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc3ccccc3c2)n1 ZINC001287428205 1381200260 /nfs/dbraw/zinc/20/02/60/1381200260.db2.gz IQKOJQXUPGDTTC-UHFFFAOYSA-N 0 0 338.367 3.147 10 5 EGBERN Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001287961774 1381450461 /nfs/dbraw/zinc/45/04/61/1381450461.db2.gz CVWLTCFGLYEGSQ-UHFFFAOYSA-N 0 0 340.379 3.087 10 5 EGBERN CC[C@H](C)Oc1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001288215895 1381731290 /nfs/dbraw/zinc/73/12/90/1381731290.db2.gz KHDUTJVFSNIBMZ-NSHDSACASA-N 0 0 345.355 3.428 10 5 EGBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cnn1C1CCOCC1 ZINC001159419142 1381791443 /nfs/dbraw/zinc/79/14/43/1381791443.db2.gz KOLLKMORNONLFM-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001288392284 1381800513 /nfs/dbraw/zinc/80/05/13/1381800513.db2.gz OOKCQUCLXAAJAD-LBPRGKRZSA-N 0 0 345.403 3.040 10 5 EGBERN CC1(C)C[C@@]1(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001288405361 1381803774 /nfs/dbraw/zinc/80/37/74/1381803774.db2.gz RTWGCGMBLOTMFM-HNNXBMFYSA-N 0 0 328.315 3.362 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C(F)(F)F)C1 ZINC001160016928 1381969081 /nfs/dbraw/zinc/96/90/81/1381969081.db2.gz LWUIQKLCXYSOHI-KRTXAFLBSA-N 0 0 349.284 3.119 10 5 EGBERN CC1(C)C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001289005827 1381971634 /nfs/dbraw/zinc/97/16/34/1381971634.db2.gz KHHVQMXWJLJJSN-CQSZACIVSA-N 0 0 341.415 3.500 10 5 EGBERN C[S@](=O)(=NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001289018555 1381972500 /nfs/dbraw/zinc/97/25/00/1381972500.db2.gz IDHKOYWZGRTKOE-XMMPIXPASA-N 0 0 347.396 3.080 10 5 EGBERN COc1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001289370484 1381995566 /nfs/dbraw/zinc/99/55/66/1381995566.db2.gz QDYJSNGIGJYSKC-MHMFGPJMSA-N 0 0 330.384 3.112 10 5 EGBERN CC(C)(NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001292423020 1382195112 /nfs/dbraw/zinc/19/51/12/1382195112.db2.gz RHXVZCCWUDPTFR-UHFFFAOYSA-N 0 0 343.170 3.290 10 5 EGBERN O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001161357623 1382381958 /nfs/dbraw/zinc/38/19/58/1382381958.db2.gz SNVWJUQVADNJSH-UHFFFAOYSA-N 0 0 339.307 3.414 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(F)c(F)c(F)c1 ZINC001293881777 1382383979 /nfs/dbraw/zinc/38/39/79/1382383979.db2.gz WCUFKUDXSZTOBK-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328585305 1388782298 /nfs/dbraw/zinc/78/22/98/1388782298.db2.gz JBMVVXFAHLMMNJ-GUDFOSOFSA-N 0 0 339.298 3.007 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1noc2c1CCCC2 ZINC001161901769 1382544705 /nfs/dbraw/zinc/54/47/05/1382544705.db2.gz LFRYKJOQGGWTLB-UHFFFAOYSA-N 0 0 343.339 3.063 10 5 EGBERN NC(=O)c1cc(Sc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC001161929862 1382557784 /nfs/dbraw/zinc/55/77/84/1382557784.db2.gz QTFJQPGSSYACHI-UHFFFAOYSA-N 0 0 346.364 3.006 10 5 EGBERN CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001295463721 1382649067 /nfs/dbraw/zinc/64/90/67/1382649067.db2.gz XIYLADWJZXVQEX-CQSZACIVSA-N 0 0 331.347 3.413 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCC1CCOCC1 ZINC001162523039 1382779969 /nfs/dbraw/zinc/77/99/69/1382779969.db2.gz BAJZKVWQJYTONX-UHFFFAOYSA-N 0 0 335.791 3.447 10 5 EGBERN CCc1[nH]c(=O)c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1C ZINC001295820883 1382835851 /nfs/dbraw/zinc/83/58/51/1382835851.db2.gz ROUFXQQDEOOSLU-INIZCTEOSA-N 0 0 343.383 3.447 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001162907392 1382911444 /nfs/dbraw/zinc/91/14/44/1382911444.db2.gz OZTDBXOVDIXZJG-DVOMOZLQSA-N 0 0 341.411 3.462 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001162907394 1382911487 /nfs/dbraw/zinc/91/14/87/1382911487.db2.gz OZTDBXOVDIXZJG-WWGRRREGSA-N 0 0 341.411 3.462 10 5 EGBERN CCOC(=O)c1cc(Oc2cc(C)c([N+](=O)[O-])cc2F)nc(C)n1 ZINC001163120129 1382969758 /nfs/dbraw/zinc/96/97/58/1382969758.db2.gz OVEXHZOTJUNCNW-UHFFFAOYSA-N 0 0 335.291 3.110 10 5 EGBERN Cc1nc(N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)ncc1[N+](=O)[O-] ZINC001163436536 1383051384 /nfs/dbraw/zinc/05/13/84/1383051384.db2.gz BWLDLSQODFBJLX-JKSUJKDBSA-N 0 0 342.399 3.376 10 5 EGBERN CC[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)OC ZINC001163591315 1383083766 /nfs/dbraw/zinc/08/37/66/1383083766.db2.gz SITIYRHAJLERJP-LLVKDONJSA-N 0 0 347.346 3.407 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(NC[C@@]2(C)CC2(C)C)c([N+](=O)[O-])c1 ZINC001164029538 1383148387 /nfs/dbraw/zinc/14/83/87/1383148387.db2.gz FVWYIGQFSDPTEP-GOSISDBHSA-N 0 0 342.399 3.407 10 5 EGBERN Cc1nc(C)c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[nH]1 ZINC001164181882 1383163755 /nfs/dbraw/zinc/16/37/55/1383163755.db2.gz MEXUDNPSKTVEGE-UHFFFAOYSA-N 0 0 331.763 3.170 10 5 EGBERN Cn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1-c1ccccc1 ZINC001297638105 1383202658 /nfs/dbraw/zinc/20/26/58/1383202658.db2.gz GXMYEOLSCQFCLV-UHFFFAOYSA-N 0 0 340.314 3.387 10 5 EGBERN CC(F)(F)c1ccccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298072649 1383350611 /nfs/dbraw/zinc/35/06/11/1383350611.db2.gz MGDCUSRAGCXPKT-CQSZACIVSA-N 0 0 336.294 3.379 10 5 EGBERN O=c1c2ccc(Br)cc2on1Cc1ccc([N+](=O)[O-])cc1 ZINC001166240968 1383406249 /nfs/dbraw/zinc/40/62/49/1383406249.db2.gz XVGDQNWYCMELGM-UHFFFAOYSA-N 0 0 349.140 3.314 10 5 EGBERN CCSc1cccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001298860243 1383441798 /nfs/dbraw/zinc/44/17/98/1383441798.db2.gz NPBFXIGQOMYDNM-INIZCTEOSA-N 0 0 346.408 3.057 10 5 EGBERN CC(C)[C@H]1N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC001299299138 1383502101 /nfs/dbraw/zinc/50/21/01/1383502101.db2.gz RUKUHYZZUPSOGD-GOSISDBHSA-N 0 0 345.443 3.458 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2ccc(O)cc21 ZINC001167287762 1383584802 /nfs/dbraw/zinc/58/48/02/1383584802.db2.gz LRSHRRCEPSZDNF-MRXNPFEDSA-N 0 0 346.770 3.300 10 5 EGBERN CC(C)(C)N1CC[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398375 1383623535 /nfs/dbraw/zinc/62/35/35/1383623535.db2.gz ZIWOULNJGSMFNL-HNNXBMFYSA-N 0 0 331.416 3.137 10 5 EGBERN Nc1ncc(C(=O)NC2(c3cccc(Cl)c3)CCC2)cc1[N+](=O)[O-] ZINC001299839723 1383631249 /nfs/dbraw/zinc/63/12/49/1383631249.db2.gz YZFLKHGHBDWVFJ-UHFFFAOYSA-N 0 0 346.774 3.035 10 5 EGBERN CO/C(=C\c1ccccc1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933768 1383635584 /nfs/dbraw/zinc/63/55/84/1383635584.db2.gz WAAUAGYFCMNPJZ-APSNUPSMSA-N 0 0 348.305 3.177 10 5 EGBERN CC[C@@H](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001300498674 1383668103 /nfs/dbraw/zinc/66/81/03/1383668103.db2.gz URBSXLFLWBFHEE-SNVBAGLBSA-N 0 0 343.221 3.452 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001300542689 1383669672 /nfs/dbraw/zinc/66/96/72/1383669672.db2.gz GDSUFDOJBRBMMW-DLBZAZTESA-N 0 0 349.346 3.179 10 5 EGBERN Cc1cc(Cl)ccc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425053 1383753078 /nfs/dbraw/zinc/75/30/78/1383753078.db2.gz OXIWEZLWHHNQOD-QGZVFWFLSA-N 0 0 348.786 3.194 10 5 EGBERN Cc1ccc(CNC(=O)c2cc(=O)[nH]c(CC(C)C)c2)cc1[N+](=O)[O-] ZINC001302609391 1383761316 /nfs/dbraw/zinc/76/13/16/1383761316.db2.gz XGMLNPVJEWPHJW-UHFFFAOYSA-N 0 0 343.383 3.132 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc(O)c1C ZINC001303136307 1383784002 /nfs/dbraw/zinc/78/40/02/1383784002.db2.gz BINAUUYSJOHZQA-UHFFFAOYSA-N 0 0 347.346 3.375 10 5 EGBERN O=C(NC1CC(Nc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001303346125 1383794627 /nfs/dbraw/zinc/79/46/27/1383794627.db2.gz LZTUBZUUPCWEPK-UHFFFAOYSA-N 0 0 329.331 3.107 10 5 EGBERN CCCC[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529406 1383803030 /nfs/dbraw/zinc/80/30/30/1383803030.db2.gz OVTBOAIEIQIHJH-LBPRGKRZSA-N 0 0 332.404 3.346 10 5 EGBERN CON(Cc1ccc(C)o1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001303824794 1383814792 /nfs/dbraw/zinc/81/47/92/1383814792.db2.gz HWEBGWSTIUUVTJ-UHFFFAOYSA-N 0 0 329.312 3.181 10 5 EGBERN Cc1oc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)nc1C1CC1 ZINC001304197055 1383838687 /nfs/dbraw/zinc/83/86/87/1383838687.db2.gz SMRZAAVNTFARIF-UHFFFAOYSA-N 0 0 336.735 3.257 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N=[S@](C)(=O)c1ccccc1F ZINC001305236392 1383859224 /nfs/dbraw/zinc/85/92/24/1383859224.db2.gz OUVHOCCAMWQRIG-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN Cc1cc(N(C)C[C@H]2COc3ccccc3O2)c(F)cc1[N+](=O)[O-] ZINC001306910175 1383918850 /nfs/dbraw/zinc/91/88/50/1383918850.db2.gz AGZUROMFUHLXRB-LBPRGKRZSA-N 0 0 332.331 3.319 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(Nc2cccc(Cn3cccn3)c2)cc1F ZINC001306928119 1383921539 /nfs/dbraw/zinc/92/15/39/1383921539.db2.gz JHASZTGTYULJNK-UHFFFAOYSA-N 0 0 342.330 3.215 10 5 EGBERN Cc1cc(Br)ccc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC001306968140 1383927090 /nfs/dbraw/zinc/92/70/90/1383927090.db2.gz RKVHFEDEAUANTL-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(Oc2cncc(Br)c2)cc1F ZINC001306969723 1383928021 /nfs/dbraw/zinc/92/80/21/1383928021.db2.gz LHRKCUWYNSSNJV-UHFFFAOYSA-N 0 0 343.108 3.176 10 5 EGBERN COc1cc(NC[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC001306983973 1383929778 /nfs/dbraw/zinc/92/97/78/1383929778.db2.gz VAMJITUOEUGDKM-SJKOYZFVSA-N 0 0 338.404 3.475 10 5 EGBERN CO[C@@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1(C)C ZINC001306988086 1383930585 /nfs/dbraw/zinc/93/05/85/1383930585.db2.gz KZIIXSPHPFQJPZ-VXGBXAGGSA-N 0 0 336.779 3.417 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NCC(C)(C)[C@H](O)C(C)C)c2c1 ZINC001307087195 1383938515 /nfs/dbraw/zinc/93/85/15/1383938515.db2.gz IPMKTJQFRRSDQO-QGZVFWFLSA-N 0 0 347.415 3.029 10 5 EGBERN CC1(C)CCc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001307100750 1383940297 /nfs/dbraw/zinc/94/02/97/1383940297.db2.gz WEBFPZAGEYNZQF-CYBMUJFWSA-N 0 0 327.388 3.483 10 5 EGBERN Cc1ccc(N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307146018 1383944942 /nfs/dbraw/zinc/94/49/42/1383944942.db2.gz SUXYSRSKLYEUFF-GASCZTMLSA-N 0 0 348.305 3.210 10 5 EGBERN CC(C)OC(=O)C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC001307153949 1383946796 /nfs/dbraw/zinc/94/67/96/1383946796.db2.gz PNOQEEAYFGCCBG-SNVBAGLBSA-N 0 0 340.405 3.082 10 5 EGBERN CCc1noc([C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001307224006 1383960111 /nfs/dbraw/zinc/96/01/11/1383960111.db2.gz DERUSEWJSZTZNI-ZJUUUORDSA-N 0 0 347.331 3.197 10 5 EGBERN COc1cc([N+](=O)[O-])cn(Cc2cc(Cl)ccc2Cl)c1=O ZINC001307379239 1383979666 /nfs/dbraw/zinc/97/96/66/1383979666.db2.gz MAAPKGLUPJBFFA-UHFFFAOYSA-N 0 0 329.139 3.120 10 5 EGBERN Cc1cncc(-c2nc(CN[C@H](C)c3ccccc3[N+](=O)[O-])no2)c1 ZINC001308050728 1384081380 /nfs/dbraw/zinc/08/13/80/1384081380.db2.gz XPJGZENVNVLIFY-GFCCVEGCSA-N 0 0 339.355 3.199 10 5 EGBERN Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001169292962 1384132992 /nfs/dbraw/zinc/13/29/92/1384132992.db2.gz PYZMXIUVBAJILE-CQSZACIVSA-N 0 0 349.431 3.344 10 5 EGBERN CCc1cccc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001312947802 1384381717 /nfs/dbraw/zinc/38/17/17/1384381717.db2.gz UJOLXZAZSIFZLC-UHFFFAOYSA-N 0 0 342.399 3.069 10 5 EGBERN Cc1ccc(CNC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001313157049 1384400018 /nfs/dbraw/zinc/40/00/18/1384400018.db2.gz VMSIKFJSZXZOMF-SJLPKXTDSA-N 0 0 347.415 3.004 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001313421214 1384417230 /nfs/dbraw/zinc/41/72/30/1384417230.db2.gz FZKYAJKBFXUEIW-YJBOKZPZSA-N 0 0 343.427 3.489 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C(C)(C)C(C)(F)F)c1 ZINC001316594408 1384463389 /nfs/dbraw/zinc/46/33/89/1384463389.db2.gz XLKLVOAECNTVGT-UHFFFAOYSA-N 0 0 343.374 3.137 10 5 EGBERN Nc1c(C(=O)NCCCCC2CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001171675293 1384598702 /nfs/dbraw/zinc/59/87/02/1384598702.db2.gz FHIYQCNJUKKLJM-UHFFFAOYSA-N 0 0 329.759 3.280 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCOc3cc(F)ccc3C2)c(F)c1 ZINC001175044256 1385185891 /nfs/dbraw/zinc/18/58/91/1385185891.db2.gz DKYNVJSEYCNESK-UHFFFAOYSA-N 0 0 338.285 3.407 10 5 EGBERN CCCN(CCNC(=O)C1(C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317543574 1385286013 /nfs/dbraw/zinc/28/60/13/1385286013.db2.gz XRNUXMWHJWVWJM-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H](CO)c1ccccc1 ZINC001175823451 1385414236 /nfs/dbraw/zinc/41/42/36/1385414236.db2.gz WQEHWDVAJLPYGD-HNNXBMFYSA-N 0 0 348.786 3.444 10 5 EGBERN Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc(O)c1C ZINC001176269405 1385532338 /nfs/dbraw/zinc/53/23/38/1385532338.db2.gz ZDIFTVHGTJRRQU-UHFFFAOYSA-N 0 0 329.356 3.358 10 5 EGBERN Cn1cncc1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001176978348 1385762407 /nfs/dbraw/zinc/76/24/07/1385762407.db2.gz RJOWPVHVYRBRIB-UHFFFAOYSA-N 0 0 334.807 3.361 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C12CCC(CC1)C2 ZINC001177680564 1386021643 /nfs/dbraw/zinc/02/16/43/1386021643.db2.gz AHAXVVNDRBEFRZ-UHFFFAOYSA-N 0 0 342.399 3.100 10 5 EGBERN Cc1nc(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)sc1C ZINC001319499781 1386147942 /nfs/dbraw/zinc/14/79/42/1386147942.db2.gz HFTLEQPGRPRNRF-UHFFFAOYSA-N 0 0 342.380 3.398 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)n1 ZINC001179002427 1386373082 /nfs/dbraw/zinc/37/30/82/1386373082.db2.gz AHZJDGZMRRDOML-UMSPYCQHSA-N 0 0 347.321 3.252 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C)CC(N)=O)cc1 ZINC001179346572 1386458865 /nfs/dbraw/zinc/45/88/65/1386458865.db2.gz DMOGTWRLIYLZJR-LBPRGKRZSA-N 0 0 341.367 3.134 10 5 EGBERN CNc1ccc(C(=O)N=[S@](C)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001179389645 1386472401 /nfs/dbraw/zinc/47/24/01/1386472401.db2.gz OZBCMYQKBWLSHB-XMMPIXPASA-N 0 0 347.396 3.242 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320674775 1386688073 /nfs/dbraw/zinc/68/80/73/1386688073.db2.gz GDXNTMGLPWLEES-UHFFFAOYSA-N 0 0 343.408 3.468 10 5 EGBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)Cc1ccccc1 ZINC001321507750 1386919072 /nfs/dbraw/zinc/91/90/72/1386919072.db2.gz OAXBVCUZRSZNSG-UHFFFAOYSA-N 0 0 332.306 3.315 10 5 EGBERN CC[C@@H](NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C(F)(F)F ZINC001181951609 1387081368 /nfs/dbraw/zinc/08/13/68/1387081368.db2.gz FJDTZLQTDMVCON-SSDOTTSWSA-N 0 0 326.221 3.252 10 5 EGBERN COC(=O)c1cc(C)nc(NCc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001322415026 1387182567 /nfs/dbraw/zinc/18/25/67/1387182567.db2.gz FZMFYDJFIHHRBN-UHFFFAOYSA-N 0 0 341.367 3.186 10 5 EGBERN CC[C@H]1CCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182599679 1387194954 /nfs/dbraw/zinc/19/49/54/1387194954.db2.gz CTBHJOSQVXKTGV-GWCFXTLKSA-N 0 0 329.360 3.145 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001322647770 1387218442 /nfs/dbraw/zinc/21/84/42/1387218442.db2.gz JXRFQGFXGYRIBR-STQMWFEESA-N 0 0 333.388 3.101 10 5 EGBERN CCOc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cn3)o2)cc1OC ZINC001322861674 1387248964 /nfs/dbraw/zinc/24/89/64/1387248964.db2.gz IZWJTOCQFBAPIV-UHFFFAOYSA-N 0 0 342.311 3.114 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001331204682 1389654200 /nfs/dbraw/zinc/65/42/00/1389654200.db2.gz YOMDDWXETAJDNF-JTQLQIEISA-N 0 0 340.326 3.047 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001331243678 1389666095 /nfs/dbraw/zinc/66/60/95/1389666095.db2.gz JAAHHVIEWXCROC-DVVUODLYSA-N 0 0 335.310 3.240 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001332257456 1390066631 /nfs/dbraw/zinc/06/66/31/1390066631.db2.gz SFICFXAHEDJVKJ-UHFFFAOYSA-N 0 0 334.763 3.086 10 5 EGBERN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC001340873034 1390391012 /nfs/dbraw/zinc/39/10/12/1390391012.db2.gz VNEQQEXJSQIYJB-VBNZEHGJSA-N 0 0 325.368 3.013 10 5 EGBERN C[C@@H](C(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC001341010735 1390424950 /nfs/dbraw/zinc/42/49/50/1390424950.db2.gz KUMBHGIPWVGRIY-MZMPZRCHSA-N 0 0 332.400 3.116 10 5 EGBERN CCCC[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001334453654 1390540789 /nfs/dbraw/zinc/54/07/89/1390540789.db2.gz JRABGBGELSGBSW-OAHLLOKOSA-N 0 0 328.796 3.228 10 5 EGBERN O=C(OC[C@]12CCC[C@H]1OCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001344316316 1390781523 /nfs/dbraw/zinc/78/15/23/1390781523.db2.gz XUZREAJUBVFJJA-RHSMWYFYSA-N 0 0 330.340 3.192 10 5 EGBERN C[C@@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001344355867 1390786404 /nfs/dbraw/zinc/78/64/04/1390786404.db2.gz GEQYYWGWGFECNF-AFAVFJNCSA-N 0 0 333.384 3.304 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001345744701 1390882597 /nfs/dbraw/zinc/88/25/97/1390882597.db2.gz CIFJERNNCJMBIB-HZPDHXFCSA-N 0 0 349.387 3.073 10 5 EGBERN COc1ccc(NC(=O)N[C@H]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001345744651 1390882702 /nfs/dbraw/zinc/88/27/02/1390882702.db2.gz AXLKZPDXUGJSLK-ZJUUUORDSA-N 0 0 325.390 3.009 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001346129348 1390909851 /nfs/dbraw/zinc/90/98/51/1390909851.db2.gz PKMKOAONJNHEOC-BBRMVZONSA-N 0 0 336.388 3.001 10 5 EGBERN CC(C)(O)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001346630868 1390964156 /nfs/dbraw/zinc/96/41/56/1390964156.db2.gz RBFXXBDQOINYRS-GFCCVEGCSA-N 0 0 343.383 3.373 10 5 EGBERN Cc1c(CNC(=O)[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001346878737 1390984312 /nfs/dbraw/zinc/98/43/12/1390984312.db2.gz MLFQRPRWLGGKBA-KRWDZBQOSA-N 0 0 342.395 3.076 10 5 EGBERN CC(C)(CC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)F ZINC001347949115 1391150226 /nfs/dbraw/zinc/15/02/26/1391150226.db2.gz QJZSWUZHLSXSFC-UHFFFAOYSA-N 0 0 345.298 3.343 10 5 EGBERN C[C@@]12CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001348311910 1391204415 /nfs/dbraw/zinc/20/44/15/1391204415.db2.gz ACAQYTHNYZSEIV-YBXNYSAGSA-N 0 0 334.322 3.157 10 5 EGBERN COC(=O)c1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1F ZINC001348521545 1391231572 /nfs/dbraw/zinc/23/15/72/1391231572.db2.gz XZMUNVUNUMBELF-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1ccc(OC)c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001348581467 1391241576 /nfs/dbraw/zinc/24/15/76/1391241576.db2.gz CFHCOWRSPVLGDC-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001348793334 1391267780 /nfs/dbraw/zinc/26/77/80/1391267780.db2.gz HMITWCGQSRCSMI-TZMCWYRMSA-N 0 0 338.791 3.422 10 5 EGBERN COc1ccc(OC)c(COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001348893765 1391280027 /nfs/dbraw/zinc/28/00/27/1391280027.db2.gz GAFUYSWGIYNOOJ-UHFFFAOYSA-N 0 0 349.314 3.417 10 5 EGBERN CCC[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349621312 1391345784 /nfs/dbraw/zinc/34/57/84/1391345784.db2.gz ZFQPOAMTKQOHAC-MAUKXSAKSA-N 0 0 345.443 3.460 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])OCC1([C@@H]2CCCCO2)CCC1 ZINC001349794843 1391368397 /nfs/dbraw/zinc/36/83/97/1391368397.db2.gz YYALRHXUPGFSMD-INIZCTEOSA-N 0 0 349.383 3.256 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]1(CO)c1ccccc1 ZINC001349847159 1391375211 /nfs/dbraw/zinc/37/52/11/1391375211.db2.gz OFAAGSQCKWTUJR-SFHVURJKSA-N 0 0 341.367 3.110 10 5 EGBERN COc1cc(C(=O)NCc2ccccc2Cl)c([N+](=O)[O-])cc1F ZINC001350066643 1391405828 /nfs/dbraw/zinc/40/58/28/1391405828.db2.gz YNXBCRVCXGEJLH-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)n1 ZINC001350385351 1391456535 /nfs/dbraw/zinc/45/65/35/1391456535.db2.gz AKBJGEJVWFBPIL-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN O=C(C[C@H]1CSc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1 ZINC001350407876 1391460094 /nfs/dbraw/zinc/46/00/94/1391460094.db2.gz QRPCOZZZIMIHRI-ZDUSSCGKSA-N 0 0 330.365 3.477 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001351367905 1391632538 /nfs/dbraw/zinc/63/25/38/1391632538.db2.gz NTGUEHOAEKHHDT-NSHDSACASA-N 0 0 348.330 3.286 10 5 EGBERN COc1cc(C(=O)NCc2cccc(Cl)c2)c([N+](=O)[O-])cc1F ZINC001351510102 1391647321 /nfs/dbraw/zinc/64/73/21/1391647321.db2.gz LTFNWXWCKAMNKG-UHFFFAOYSA-N 0 0 338.722 3.326 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001351661454 1391666055 /nfs/dbraw/zinc/66/60/55/1391666055.db2.gz LQZDQTJCJVWDJL-UHFFFAOYSA-N 0 0 346.346 3.255 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2-n2ccnn2)c1C ZINC001352031488 1391747916 /nfs/dbraw/zinc/74/79/16/1391747916.db2.gz GVURNCMOTBQQKO-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncc2cc(Cl)ccn21 ZINC001352634953 1391826999 /nfs/dbraw/zinc/82/69/99/1391826999.db2.gz RRWRYAQGPBEVSO-UHFFFAOYSA-N 0 0 334.694 3.287 10 5 EGBERN CCO[C@@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001352703168 1391834147 /nfs/dbraw/zinc/83/41/47/1391834147.db2.gz JJBKSRTZHRYOIV-MRXNPFEDSA-N 0 0 330.340 3.320 10 5 EGBERN CC1(C)OC(=O)c2c1cccc2C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001352895814 1391874365 /nfs/dbraw/zinc/87/43/65/1391874365.db2.gz UQKIJZRPNCNTCP-UHFFFAOYSA-N 0 0 327.292 3.220 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001352977657 1391901854 /nfs/dbraw/zinc/90/18/54/1391901854.db2.gz HTXVDGPANPHENT-UHFFFAOYSA-N 0 0 348.330 3.418 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2ccc(F)cc21 ZINC001353146052 1391944007 /nfs/dbraw/zinc/94/40/07/1391944007.db2.gz AQCCFISJFIWEFC-HNNXBMFYSA-N 0 0 332.306 3.219 10 5 EGBERN COc1ccc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cnc2c1 ZINC001353162797 1391947928 /nfs/dbraw/zinc/94/79/28/1391947928.db2.gz QQBGVDBTZGEMDK-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nccs1 ZINC001353300172 1391985418 /nfs/dbraw/zinc/98/54/18/1391985418.db2.gz ZKEGMBAEQYBNHX-UHFFFAOYSA-N 0 0 331.275 3.347 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC001353311203 1391987174 /nfs/dbraw/zinc/98/71/74/1391987174.db2.gz NNELTWUFJOMRFD-UHFFFAOYSA-N 0 0 339.351 3.349 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@@H]2C[C@@]2(C)Br)c([N+](=O)[O-])c1 ZINC001353347703 1391993784 /nfs/dbraw/zinc/99/37/84/1391993784.db2.gz MBPXPYFKLSPKEQ-TVQRCGJNSA-N 0 0 328.162 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC001353677700 1392065265 /nfs/dbraw/zinc/06/52/65/1392065265.db2.gz KVJLPWZWWKGXJS-CYBMUJFWSA-N 0 0 347.371 3.404 10 5 EGBERN Cc1cc(OCC(=O)OCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC001353803568 1392093184 /nfs/dbraw/zinc/09/31/84/1392093184.db2.gz YLBKUCIZKPIZTH-UHFFFAOYSA-N 0 0 329.352 3.458 10 5 EGBERN CC[C@H](CC(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353871090 1392104097 /nfs/dbraw/zinc/10/40/97/1392104097.db2.gz KVRPPCUPTJKOJH-OAHLLOKOSA-N 0 0 333.432 3.316 10 5 EGBERN CO[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])C1CCCC1 ZINC001353972307 1392110791 /nfs/dbraw/zinc/11/07/91/1392110791.db2.gz RJIIDSZUTXZABW-KRWDZBQOSA-N 0 0 349.431 3.027 10 5 EGBERN C[C@H]1CCC[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001354016727 1392115383 /nfs/dbraw/zinc/11/53/83/1392115383.db2.gz AFQVFTWLWWKJQS-QWRGUYRKSA-N 0 0 337.395 3.354 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2ccccc21 ZINC001354078194 1392119226 /nfs/dbraw/zinc/11/92/26/1392119226.db2.gz IXTFPPQAHUOPRS-UHFFFAOYSA-N 0 0 330.365 3.356 10 5 EGBERN Cc1noc2ncc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cc12 ZINC001354309691 1392137315 /nfs/dbraw/zinc/13/73/15/1392137315.db2.gz ZCXYZAKUCFIBQI-LSDHHAIUSA-N 0 0 338.323 3.182 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2cccnc21 ZINC001354632541 1392157705 /nfs/dbraw/zinc/15/77/05/1392157705.db2.gz IKVALRRNJKNFRU-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN CCC(CC)N(CCOC)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354802608 1392170334 /nfs/dbraw/zinc/17/03/34/1392170334.db2.gz UBUIZWOKYGPZJS-SJORKVTESA-N 0 0 334.416 3.362 10 5 EGBERN O=C(c1c(F)ccc2ccncc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354841630 1392172277 /nfs/dbraw/zinc/17/22/77/1392172277.db2.gz QFRGJYQTGMGJRK-UHFFFAOYSA-N 0 0 337.310 3.438 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c(F)cccc1-n1cccn1 ZINC001355004364 1392184966 /nfs/dbraw/zinc/18/49/66/1392184966.db2.gz NRVGUOFNBIWCHB-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN O=C(NCCCc1ccsc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001479587503 1392282068 /nfs/dbraw/zinc/28/20/68/1392282068.db2.gz YRZJVEJZWSVCIF-UHFFFAOYSA-N 0 0 348.428 3.000 10 5 EGBERN CC/C=C(\C)C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161185 1393138787 /nfs/dbraw/zinc/13/87/87/1393138787.db2.gz CWRNTWDPLCVPNA-MKMNVTDBSA-N 0 0 331.416 3.032 10 5 EGBERN CCc1onc(C)c1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001687490818 1396393327 /nfs/dbraw/zinc/39/33/27/1396393327.db2.gz DUWIKHPCNWMXIJ-JTQLQIEISA-N 0 0 332.360 3.014 10 5 EGBERN CN(CCCN(C)C(=O)CC1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001717208159 1421179619 /nfs/dbraw/zinc/17/96/19/1421179619.db2.gz FEXNMLIBASPJQH-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1[C@@H]1C[C@H]1C ZINC001751887210 1440125633 /nfs/dbraw/zinc/12/56/33/1440125633.db2.gz BZIYKEFJLUCHAC-MLGOLLRUSA-N 0 0 329.404 3.491 10 5 EGBERN C[C@@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001762757766 1441378169 /nfs/dbraw/zinc/37/81/69/1441378169.db2.gz CSCRHPLJVHLBLA-DOMZBBRYSA-N 0 0 341.415 3.356 10 5 EGBERN CCC[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001766340124 1441401102 /nfs/dbraw/zinc/40/11/02/1441401102.db2.gz VNUSAUKXYIOXIB-BXUZGUMPSA-N 0 0 331.376 3.212 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N2CCC[C@H](Cc3ccc(C)cc3)C2)n1C ZINC000050953004 214073090 /nfs/dbraw/zinc/07/30/90/214073090.db2.gz OVODPQYVJVCFAY-MRXNPFEDSA-N 0 0 328.416 3.404 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccco2)o1 ZINC000053414560 214182854 /nfs/dbraw/zinc/18/28/54/214182854.db2.gz ARXDXJMZXLPRIR-UHFFFAOYSA-N 0 0 333.325 3.409 10 5 EGBERN CC(=O)c1cc(NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000368505786 168365608 /nfs/dbraw/zinc/36/56/08/168365608.db2.gz XPBHRJFRYSNOFK-UHFFFAOYSA-N 0 0 340.383 3.273 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000054129711 214217652 /nfs/dbraw/zinc/21/76/52/214217652.db2.gz WIAKQNXINHSFPS-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1nc(-c2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)no1 ZINC000058304103 214538225 /nfs/dbraw/zinc/53/82/25/214538225.db2.gz SBTCVIQWWFPMLT-UHFFFAOYSA-N 0 0 337.295 3.393 10 5 EGBERN CC[C@@H](NC(=O)NCCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000178399271 529623556 /nfs/dbraw/zinc/62/35/56/529623556.db2.gz MMYCPFARTLWYJZ-QGZVFWFLSA-N 0 0 342.399 3.373 10 5 EGBERN CC[C@@H](NC(=O)NCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181837496 529625659 /nfs/dbraw/zinc/62/56/59/529625659.db2.gz ICKWGLVGYXZYJT-JKSUJKDBSA-N 0 0 335.404 3.304 10 5 EGBERN Cc1nn(C(C)C)c(C)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000062267878 214707746 /nfs/dbraw/zinc/70/77/46/214707746.db2.gz DRCITIOIFOPNSG-UHFFFAOYSA-N 0 0 346.387 3.397 10 5 EGBERN Cc1cc(C(=O)NCCSCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000004324965 210172170 /nfs/dbraw/zinc/17/21/70/210172170.db2.gz CGSPASICBNKBFM-UHFFFAOYSA-N 0 0 334.397 3.468 10 5 EGBERN O=C(Nc1ccccn1)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000065593245 214973035 /nfs/dbraw/zinc/97/30/35/214973035.db2.gz MSDWZMKHUBZUOI-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CC(C)(C)NN=c1nc[nH]c(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040659918 213365432 /nfs/dbraw/zinc/36/54/32/213365432.db2.gz VWVBCIMGJNAERQ-UHFFFAOYSA-N 0 0 338.318 3.122 10 5 EGBERN COCCNc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583510 213354272 /nfs/dbraw/zinc/35/42/72/213354272.db2.gz FGQFTEDBHRERKQ-UHFFFAOYSA-N 0 0 340.339 3.389 10 5 EGBERN CC(=O)c1cccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040593556 213356806 /nfs/dbraw/zinc/35/68/06/213356806.db2.gz UMTMYALOHXAJFA-UHFFFAOYSA-N 0 0 344.375 3.046 10 5 EGBERN CCN(c1cccc(C)c1)c1ncnc(NCCCOC)c1[N+](=O)[O-] ZINC000040572328 213352594 /nfs/dbraw/zinc/35/25/94/213352594.db2.gz LOZRPCQIJCKGJG-UHFFFAOYSA-N 0 0 345.403 3.300 10 5 EGBERN CCN(c1ccccc1)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000040573637 213353772 /nfs/dbraw/zinc/35/37/72/213353772.db2.gz HCDJVIGHRLYYNX-UHFFFAOYSA-N 0 0 338.371 3.345 10 5 EGBERN O=C(Nc1ccccc1[N+](=O)[O-])N(Cc1ccc(O)cc1)C1CC1 ZINC000040555343 213349933 /nfs/dbraw/zinc/34/99/33/213349933.db2.gz IIKIZZPNJTUPRI-UHFFFAOYSA-N 0 0 327.340 3.497 10 5 EGBERN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000372011082 168686308 /nfs/dbraw/zinc/68/63/08/168686308.db2.gz AEAZTXYKCMNQQO-KRWDZBQOSA-N 0 0 341.367 3.366 10 5 EGBERN Cc1nc(C(=O)Nc2ncc([N+](=O)[O-])o2)c(-c2ccccc2)s1 ZINC000040326840 213292071 /nfs/dbraw/zinc/29/20/71/213292071.db2.gz CONPSLAZZKXGRD-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN CS(=O)(=O)c1ccc(Nc2cccc(NC3CC3)c2)c([N+](=O)[O-])c1 ZINC000040155572 213274224 /nfs/dbraw/zinc/27/42/24/213274224.db2.gz NLMIJOHYBRVUES-UHFFFAOYSA-N 0 0 347.396 3.316 10 5 EGBERN CC[C@H](C)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000069613516 215496676 /nfs/dbraw/zinc/49/66/76/215496676.db2.gz YPQMLOOAOAOQRR-NSHDSACASA-N 0 0 334.401 3.493 10 5 EGBERN CC(C)n1cnn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S ZINC000036398060 213097912 /nfs/dbraw/zinc/09/79/12/213097912.db2.gz FCFHETCSBDDXEC-LLVKDONJSA-N 0 0 333.417 3.312 10 5 EGBERN CCOC(=O)c1cnn(Cc2csc([N+](=O)[O-])c2)c1C(F)F ZINC000071804124 215840988 /nfs/dbraw/zinc/84/09/88/215840988.db2.gz KMPVZVKMSNNSGC-UHFFFAOYSA-N 0 0 331.300 3.015 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000190316655 238385455 /nfs/dbraw/zinc/38/54/55/238385455.db2.gz DQWYREBDSBIKFN-GFCCVEGCSA-N 0 0 332.381 3.478 10 5 EGBERN O=C(C1CCCC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005689497 283754878 /nfs/dbraw/zinc/75/48/78/283754878.db2.gz HIKQPWZNVILZRL-UHFFFAOYSA-N 0 0 337.807 3.087 10 5 EGBERN Nc1c(C(=O)N2CC[C@](F)(c3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000374779913 168784310 /nfs/dbraw/zinc/78/43/10/168784310.db2.gz MXXDXTJYYMSGJZ-QGZVFWFLSA-N 0 0 347.321 3.027 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000021920819 212263433 /nfs/dbraw/zinc/26/34/33/212263433.db2.gz ACBCRNWERZZORV-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN CC(C)OCCCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000021779562 212248468 /nfs/dbraw/zinc/24/84/68/212248468.db2.gz YGPWDRUVIZQDIC-UHFFFAOYSA-N 0 0 332.356 3.400 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000132905605 223372625 /nfs/dbraw/zinc/37/26/25/223372625.db2.gz DZKUODSDLLYKBR-KCJUWKMLSA-N 0 0 340.426 3.268 10 5 EGBERN COC(=O)COc1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 ZINC000021657986 212237328 /nfs/dbraw/zinc/23/73/28/212237328.db2.gz QYIQTSSAKGXZNE-UHFFFAOYSA-N 0 0 338.319 3.362 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000021587724 212233266 /nfs/dbraw/zinc/23/32/66/212233266.db2.gz WNEBHPCJCASZDD-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1csc(C(C)C)n1 ZINC000263763370 245640133 /nfs/dbraw/zinc/64/01/33/245640133.db2.gz GKJHDSHKEPWJCM-UHFFFAOYSA-N 0 0 333.413 3.456 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000265291298 247377028 /nfs/dbraw/zinc/37/70/28/247377028.db2.gz KQGKDBOWUIUHHH-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN Cc1n[nH]c(C(=O)N(Cc2ccoc2)C2CCCCC2)c1[N+](=O)[O-] ZINC000266007221 248022896 /nfs/dbraw/zinc/02/28/96/248022896.db2.gz UDHCWMIBAVIHSU-UHFFFAOYSA-N 0 0 332.360 3.194 10 5 EGBERN Cc1noc(CCCOc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000266136320 248122650 /nfs/dbraw/zinc/12/26/50/248122650.db2.gz SQCVAKHGUUZEKO-UHFFFAOYSA-N 0 0 331.250 3.317 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000378388547 169112781 /nfs/dbraw/zinc/11/27/81/169112781.db2.gz IVUCBJNPCBAKAK-WBVHZDCISA-N 0 0 326.352 3.102 10 5 EGBERN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000378605867 169145645 /nfs/dbraw/zinc/14/56/45/169145645.db2.gz KHGWUQVMVGVECM-UHFFFAOYSA-N 0 0 338.363 3.451 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378648176 169152504 /nfs/dbraw/zinc/15/25/04/169152504.db2.gz RYGAHZNWVYASMY-INIZCTEOSA-N 0 0 330.315 3.027 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@@]2(CCCOC2)C1 ZINC000408024416 169157542 /nfs/dbraw/zinc/15/75/42/169157542.db2.gz AOCABETXHGMXPZ-GOSISDBHSA-N 0 0 343.383 3.109 10 5 EGBERN O=C(CN1CCCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012484461 211391719 /nfs/dbraw/zinc/39/17/19/211391719.db2.gz HLGSTFUWJDDKIK-UHFFFAOYSA-N 0 0 346.412 3.143 10 5 EGBERN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767021 218247674 /nfs/dbraw/zinc/24/76/74/218247674.db2.gz LADYSSWKDYAPHX-KEDPEKRHSA-N 0 0 339.386 3.269 10 5 EGBERN COc1cc(NCc2cccc(C(=O)NC(C)C)c2)ccc1[N+](=O)[O-] ZINC000095403186 218338599 /nfs/dbraw/zinc/33/85/99/218338599.db2.gz RISGZODFRWDNIG-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN CC[C@H](NC(=O)N1CCC2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000267372894 250993502 /nfs/dbraw/zinc/99/35/02/250993502.db2.gz KIYCRUDMGOMZEF-INIZCTEOSA-N 0 0 347.415 3.258 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153116228 224060999 /nfs/dbraw/zinc/06/09/99/224060999.db2.gz INOSMYAVKUFZKW-NSHDSACASA-N 0 0 330.388 3.346 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000133554150 285120877 /nfs/dbraw/zinc/12/08/77/285120877.db2.gz QNILWIMDLHFECR-UHFFFAOYSA-N 0 0 335.360 3.146 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000119003910 221222126 /nfs/dbraw/zinc/22/21/26/221222126.db2.gz SXPCWTLKGRJMGA-SNVBAGLBSA-N 0 0 332.381 3.356 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)c1 ZINC000119040387 221229720 /nfs/dbraw/zinc/22/97/20/221229720.db2.gz ZXWRTGQCYYBBJL-HNNXBMFYSA-N 0 0 334.397 3.238 10 5 EGBERN Cc1sc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154700577 224292310 /nfs/dbraw/zinc/29/23/10/224292310.db2.gz AULDGAVHZJSEMG-UHFFFAOYSA-N 0 0 337.445 3.055 10 5 EGBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCc2ccccc2C1 ZINC000040647712 132405256 /nfs/dbraw/zinc/40/52/56/132405256.db2.gz FJTLHIBTZZGESX-UHFFFAOYSA-N 0 0 339.399 3.302 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccnc3)cc2[N+](=O)[O-])C1 ZINC000004869115 135667414 /nfs/dbraw/zinc/66/74/14/135667414.db2.gz DZMJKFPRMACXEN-ZDUSSCGKSA-N 0 0 340.383 3.478 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000006343754 140753888 /nfs/dbraw/zinc/75/38/88/140753888.db2.gz ZBRMOUNURMRVLF-UHFFFAOYSA-N 0 0 343.358 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000104858636 140884755 /nfs/dbraw/zinc/88/47/55/140884755.db2.gz ORWBJCWNCXDULG-UHFFFAOYSA-N 0 0 343.387 3.396 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)c1ccccc1 ZINC000338046480 141080283 /nfs/dbraw/zinc/08/02/83/141080283.db2.gz NTGNXQXVSMPPMP-UHFFFAOYSA-N 0 0 327.384 3.160 10 5 EGBERN O=C(NCC1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000338380138 141112766 /nfs/dbraw/zinc/11/27/66/141112766.db2.gz RPASUZTYRJFWBI-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[nH]c2cc(F)ccc21 ZINC000356813086 141347324 /nfs/dbraw/zinc/34/73/24/141347324.db2.gz FBARGQJBBJQLRW-UHFFFAOYSA-N 0 0 343.318 3.051 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000363444394 141463557 /nfs/dbraw/zinc/46/35/57/141463557.db2.gz QUBOLVNXVGHVGW-OAHLLOKOSA-N 0 0 330.315 3.296 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341289791 142631041 /nfs/dbraw/zinc/63/10/41/142631041.db2.gz MTCHVBBJECRFEV-VXGBXAGGSA-N 0 0 332.331 3.379 10 5 EGBERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H](C)CO2)c1 ZINC000359540922 292088066 /nfs/dbraw/zinc/08/80/66/292088066.db2.gz XQKMRHXTAVTPRL-CJNGLKHVSA-N 0 0 343.383 3.142 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171613488 144007397 /nfs/dbraw/zinc/00/73/97/144007397.db2.gz KBMKKNSFMKDKHP-UHFFFAOYSA-N 0 0 339.395 3.014 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnc(-c2ccncc2)s1 ZINC000172786597 144028221 /nfs/dbraw/zinc/02/82/21/144028221.db2.gz GQBLMYZHMPFFDI-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CCOc1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000187508131 144159904 /nfs/dbraw/zinc/15/99/04/144159904.db2.gz JWSSEGZIJSMNSF-INIZCTEOSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1ccnc(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000363781261 144365647 /nfs/dbraw/zinc/36/56/47/144365647.db2.gz ROZNLRHFXDFURP-UHFFFAOYSA-N 0 0 333.779 3.126 10 5 EGBERN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000363871909 144373019 /nfs/dbraw/zinc/37/30/19/144373019.db2.gz IWEPSSPAPYZNLE-KRWDZBQOSA-N 0 0 340.383 3.033 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC[C@@H]1CC1CCC1 ZINC000341377220 155256882 /nfs/dbraw/zinc/25/68/82/155256882.db2.gz BXWBISJQNFPIMP-AWEZNQCLSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000185765686 292229762 /nfs/dbraw/zinc/22/97/62/292229762.db2.gz ZBPWYOSTWSMVMN-MFKMUULPSA-N 0 0 345.355 3.210 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1csc(C(F)(F)F)n1 ZINC000341431159 155288087 /nfs/dbraw/zinc/28/80/87/155288087.db2.gz KJCYPINUFNNUSF-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN COc1cccc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c1 ZINC000341461082 155304453 /nfs/dbraw/zinc/30/44/53/155304453.db2.gz GHWYLKVBQPUBEV-UHFFFAOYSA-N 0 0 345.742 3.489 10 5 EGBERN COCc1csc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000115245257 152001354 /nfs/dbraw/zinc/00/13/54/152001354.db2.gz XOHRZVBQLQOGHT-UHFFFAOYSA-N 0 0 348.384 3.024 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000116045489 152039133 /nfs/dbraw/zinc/03/91/33/152039133.db2.gz QYISKTJIMMGRSS-ZDUSSCGKSA-N 0 0 331.284 3.073 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] ZINC000116819934 152077855 /nfs/dbraw/zinc/07/78/55/152077855.db2.gz LRLYKBZOHAOIHN-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117576402 152104331 /nfs/dbraw/zinc/10/43/31/152104331.db2.gz QAYVCPVVGCJXAF-MGPLVRAMSA-N 0 0 329.308 3.074 10 5 EGBERN COc1ccc(C(=O)Nc2ncnc3oc(C)c(C)c32)cc1[N+](=O)[O-] ZINC000118199973 152128406 /nfs/dbraw/zinc/12/84/06/152128406.db2.gz UCQNWIPWTZWROZ-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN Nc1ccc(C(=O)NCc2cccc(-c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000152902640 152516018 /nfs/dbraw/zinc/51/60/18/152516018.db2.gz ZZNFFJAISSYYBB-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000157543243 152706677 /nfs/dbraw/zinc/70/66/77/152706677.db2.gz XQCZMWXRWKSCLY-MRXNPFEDSA-N 0 0 328.372 3.307 10 5 EGBERN Cc1ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000188448177 153016731 /nfs/dbraw/zinc/01/67/31/153016731.db2.gz WUQDFOSDTNNNGV-ZDUSSCGKSA-N 0 0 329.404 3.195 10 5 EGBERN CCOC[C@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000190988975 153170344 /nfs/dbraw/zinc/17/03/44/153170344.db2.gz NNFVUKOYPJRADR-HOTGVXAUSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000191369384 153191046 /nfs/dbraw/zinc/19/10/46/153191046.db2.gz WRIMJDVPVQWFKV-UHFFFAOYSA-N 0 0 331.397 3.242 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000191641468 153213199 /nfs/dbraw/zinc/21/31/99/153213199.db2.gz FFJFDLMDEVJVPP-AAEUAGOBSA-N 0 0 338.429 3.393 10 5 EGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(Nc3ccccc3F)CC2)c1 ZINC000193455602 153291532 /nfs/dbraw/zinc/29/15/32/153291532.db2.gz NNOKEKFXCLYGDY-UHFFFAOYSA-N 0 0 330.363 3.397 10 5 EGBERN CCOc1ccc(C(=O)Nc2cccc3ocnc32)cc1[N+](=O)[O-] ZINC000341621483 155386813 /nfs/dbraw/zinc/38/68/13/155386813.db2.gz TXBXWQCKQKTBLP-UHFFFAOYSA-N 0 0 327.296 3.387 10 5 EGBERN COc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000194614588 153348320 /nfs/dbraw/zinc/34/83/20/153348320.db2.gz HDBXZTBNYMTBEJ-UHFFFAOYSA-N 0 0 343.364 3.143 10 5 EGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000195185026 153386274 /nfs/dbraw/zinc/38/62/74/153386274.db2.gz JTUFBCNCQPBMIS-SNVBAGLBSA-N 0 0 349.350 3.443 10 5 EGBERN CS(=O)(=O)c1ccc(SCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000319043065 154161444 /nfs/dbraw/zinc/16/14/44/154161444.db2.gz BSSYTDOXLIUJEG-UHFFFAOYSA-N 0 0 341.385 3.430 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C(F)F ZINC000341721431 155443901 /nfs/dbraw/zinc/44/39/01/155443901.db2.gz LJWBPMOJBWFORW-IUCAKERBSA-N 0 0 335.104 3.197 10 5 EGBERN CC(C)c1ccc(-c2nc(Cc3cncn3C)no2)cc1[N+](=O)[O-] ZINC000346894917 156185740 /nfs/dbraw/zinc/18/57/40/156185740.db2.gz MHPUGBNDCDZSLG-UHFFFAOYSA-N 0 0 327.344 3.093 10 5 EGBERN O=C(NCC1CCSCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349155060 156368974 /nfs/dbraw/zinc/36/89/74/156368974.db2.gz VKMPWYUVMBJNSA-UHFFFAOYSA-N 0 0 348.346 3.487 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3cn4ccsc4n3)c2)c1 ZINC000349162513 156371275 /nfs/dbraw/zinc/37/12/75/156371275.db2.gz XABKBTTWIHJKPS-UHFFFAOYSA-N 0 0 325.353 3.216 10 5 EGBERN Cc1cc(N[C@H]2CCCN(c3cccnc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000360048888 156897676 /nfs/dbraw/zinc/89/76/76/156897676.db2.gz ZMTPKLLQCMRYNA-AWEZNQCLSA-N 0 0 344.346 3.045 10 5 EGBERN Cc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457704 162010506 /nfs/dbraw/zinc/01/05/06/162010506.db2.gz CGKOTYZDAARKCF-GOSISDBHSA-N 0 0 328.368 3.182 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088298 162091386 /nfs/dbraw/zinc/09/13/86/162091386.db2.gz GQLNGHJZXWOUBW-STQMWFEESA-N 0 0 332.306 3.293 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000109229253 162095905 /nfs/dbraw/zinc/09/59/05/162095905.db2.gz JRWXZHGJGXAYDL-UHFFFAOYSA-N 0 0 328.372 3.395 10 5 EGBERN COc1ccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000109589076 162106843 /nfs/dbraw/zinc/10/68/43/162106843.db2.gz BAGKRVDWCPFFHO-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111052325 162143918 /nfs/dbraw/zinc/14/39/18/162143918.db2.gz ABYSPACUZUHAHL-JSGCOSHPSA-N 0 0 336.351 3.005 10 5 EGBERN Nc1c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000114440627 162232604 /nfs/dbraw/zinc/23/26/04/162232604.db2.gz RGLMJQSGIBMMDM-KRWDZBQOSA-N 0 0 333.363 3.279 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125702803 162284568 /nfs/dbraw/zinc/28/45/68/162284568.db2.gz JQUWRUYLGUWXCE-HIFRSBDPSA-N 0 0 335.404 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000130684766 162375658 /nfs/dbraw/zinc/37/56/58/162375658.db2.gz DECHKABVWWJQOV-KRWDZBQOSA-N 0 0 346.408 3.092 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000151275538 162577899 /nfs/dbraw/zinc/57/78/99/162577899.db2.gz ZVLOQJUSYFGDOG-HNNXBMFYSA-N 0 0 346.408 3.487 10 5 EGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000180643115 162755381 /nfs/dbraw/zinc/75/53/81/162755381.db2.gz ABWCBZRHKIUECG-SSDOTTSWSA-N 0 0 325.777 3.383 10 5 EGBERN COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337122136 163135270 /nfs/dbraw/zinc/13/52/70/163135270.db2.gz BBRJNOZQRREGSA-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C)c(OC)c1 ZINC000337169643 163152246 /nfs/dbraw/zinc/15/22/46/163152246.db2.gz DQKUPBQACXFZTJ-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN O=C(NC1(C(F)F)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000337257501 163182443 /nfs/dbraw/zinc/18/24/43/163182443.db2.gz OBFNDHRHDGEKMQ-UHFFFAOYSA-N 0 0 339.323 3.246 10 5 EGBERN COc1ccc(CN2CCOc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000338314848 163210091 /nfs/dbraw/zinc/21/00/91/163210091.db2.gz CLEPNHSBVWOXCR-UHFFFAOYSA-N 0 0 332.331 3.137 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340402570 163570814 /nfs/dbraw/zinc/57/08/14/163570814.db2.gz XSGGINCVEIRPAH-INIZCTEOSA-N 0 0 336.351 3.352 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000341979086 163753741 /nfs/dbraw/zinc/75/37/41/163753741.db2.gz GIADCDIWNZUWHY-HNNXBMFYSA-N 0 0 333.319 3.243 10 5 EGBERN O=C(c1cc(-n2cccc2)ccn1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000342104196 163787293 /nfs/dbraw/zinc/78/72/93/163787293.db2.gz NLBVVCICQKPZNK-UHFFFAOYSA-N 0 0 348.362 3.374 10 5 EGBERN O=[N+]([O-])c1ccc(CNCc2nccc(C(F)F)n2)c(Cl)c1 ZINC000342241045 163824394 /nfs/dbraw/zinc/82/43/94/163824394.db2.gz HHQFVGRIOMUVMZ-UHFFFAOYSA-N 0 0 328.706 3.266 10 5 EGBERN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344260475 164140320 /nfs/dbraw/zinc/14/03/20/164140320.db2.gz LXWWDNCREJPGDO-CYBMUJFWSA-N 0 0 342.330 3.491 10 5 EGBERN COc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1N1CCCCC1=O ZINC000344440099 164179076 /nfs/dbraw/zinc/17/90/76/164179076.db2.gz UJQDRACQGHDQOL-UHFFFAOYSA-N 0 0 342.355 3.259 10 5 EGBERN CC(C)(NC(=O)c1cnc2cnccc2c1)c1ccccc1[N+](=O)[O-] ZINC000345781959 164264721 /nfs/dbraw/zinc/26/47/21/164264721.db2.gz GXNACDFRUALFNX-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(C)C)cc3)no2)n1 ZINC000345996491 164313474 /nfs/dbraw/zinc/31/34/74/164313474.db2.gz HWDUEZVUNUEKHV-UHFFFAOYSA-N 0 0 343.343 3.315 10 5 EGBERN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc(C)n1 ZINC000347645085 164537286 /nfs/dbraw/zinc/53/72/86/164537286.db2.gz ABDCUXCBABDSJJ-UHFFFAOYSA-N 0 0 328.372 3.052 10 5 EGBERN COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000347873706 164603641 /nfs/dbraw/zinc/60/36/41/164603641.db2.gz MRBNKDRZSGAVFD-SCZZXKLOSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1F ZINC000348115728 164639313 /nfs/dbraw/zinc/63/93/13/164639313.db2.gz ICAGCMBRXCJHQP-UHFFFAOYSA-N 0 0 326.230 3.030 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCCOCC4)n3)c2c1 ZINC000350165929 165014688 /nfs/dbraw/zinc/01/46/88/165014688.db2.gz UIYPGIPRNBJCAQ-LLVKDONJSA-N 0 0 342.355 3.334 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351635156 165107207 /nfs/dbraw/zinc/10/72/07/165107207.db2.gz OXONJMKGLMSSDF-HNNXBMFYSA-N 0 0 327.356 3.043 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355008384 166085834 /nfs/dbraw/zinc/08/58/34/166085834.db2.gz WKGBDFMPULSVBK-UHFFFAOYSA-N 0 0 338.363 3.208 10 5 EGBERN COc1cc(CNc2ccccc2C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000352041519 165206672 /nfs/dbraw/zinc/20/66/72/165206672.db2.gz ZYOBIWDWVDEEMZ-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN Cc1ccn2cc(CNc3nc4ccccc4cc3[N+](=O)[O-])nc2c1 ZINC000352349298 165357097 /nfs/dbraw/zinc/35/70/97/165357097.db2.gz CKHNFXYRZRXTAB-UHFFFAOYSA-N 0 0 333.351 3.133 10 5 EGBERN Cc1ccncc1CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353416300 165761488 /nfs/dbraw/zinc/76/14/88/165761488.db2.gz QSSAVIZLJUUOCJ-CYBMUJFWSA-N 0 0 328.372 3.201 10 5 EGBERN C[C@@H](CCc1ccco1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000355390075 166182168 /nfs/dbraw/zinc/18/21/68/166182168.db2.gz ZOPVXTBTGPHJNQ-NSHDSACASA-N 0 0 327.340 3.420 10 5 EGBERN COc1ncccc1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000355650877 166272871 /nfs/dbraw/zinc/27/28/71/166272871.db2.gz NEOLFJVVZPEVBB-UHFFFAOYSA-N 0 0 343.383 3.094 10 5 EGBERN CCC1(CC)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000355830619 166322537 /nfs/dbraw/zinc/32/25/37/166322537.db2.gz BPYAPXDOJJROFH-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN COc1ccc(OCc2noc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000355870393 166333225 /nfs/dbraw/zinc/33/32/25/166333225.db2.gz DKPRTANIDAJEIB-UHFFFAOYSA-N 0 0 327.296 3.232 10 5 EGBERN COc1cc(C(=O)NC2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000356079699 166394008 /nfs/dbraw/zinc/39/40/08/166394008.db2.gz PNAPBAQCUGEKFY-UHFFFAOYSA-N 0 0 336.388 3.167 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357529721 166703769 /nfs/dbraw/zinc/70/37/69/166703769.db2.gz MJYRTRJHVLYAAU-LLVKDONJSA-N 0 0 326.356 3.244 10 5 EGBERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358979248 167025958 /nfs/dbraw/zinc/02/59/58/167025958.db2.gz LJRNMBVWDPQENZ-VHSXEESVSA-N 0 0 328.315 3.457 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000359014346 167037206 /nfs/dbraw/zinc/03/72/06/167037206.db2.gz YCBGVHWKWPREFK-LLVKDONJSA-N 0 0 326.299 3.068 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2nnc3n2CCCCC3)n1 ZINC000359081184 167062155 /nfs/dbraw/zinc/06/21/55/167062155.db2.gz IWPWYAYRSALBEY-GFCCVEGCSA-N 0 0 330.392 3.098 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc3c2OCCCO3)n1 ZINC000359094791 167065916 /nfs/dbraw/zinc/06/59/16/167065916.db2.gz KYDMZXGLDGCQIP-UHFFFAOYSA-N 0 0 329.356 3.380 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000359109277 167069428 /nfs/dbraw/zinc/06/94/28/167069428.db2.gz OGFQRQDAVGMHQH-CYBMUJFWSA-N 0 0 338.371 3.360 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCCn2cnc3ccccc32)n1 ZINC000359112062 167070441 /nfs/dbraw/zinc/07/04/41/167070441.db2.gz XIMDRMKNMDRMFK-UHFFFAOYSA-N 0 0 325.372 3.459 10 5 EGBERN C[C@H]1CC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359138709 167078188 /nfs/dbraw/zinc/07/81/88/167078188.db2.gz DSALIMRGMSLOOA-KSSFIOAISA-N 0 0 331.416 3.436 10 5 EGBERN COC(=O)c1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000359296689 167118316 /nfs/dbraw/zinc/11/83/16/167118316.db2.gz DABDXNLTBCUGEY-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN Cc1ncsc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359327587 167127068 /nfs/dbraw/zinc/12/70/68/167127068.db2.gz KBXFNRWTBQGASR-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000359370197 167138608 /nfs/dbraw/zinc/13/86/08/167138608.db2.gz MKLDFXBJWZIZPQ-CYBMUJFWSA-N 0 0 342.351 3.439 10 5 EGBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C)c3=O)co2)cc1 ZINC000359459572 167162629 /nfs/dbraw/zinc/16/26/29/167162629.db2.gz SZINBEJPPLIITO-UHFFFAOYSA-N 0 0 325.324 3.077 10 5 EGBERN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000359716064 167213049 /nfs/dbraw/zinc/21/30/49/167213049.db2.gz LNVQIVIHHURHMO-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCn2c(cc3ccccc32)C1 ZINC000360238659 167279370 /nfs/dbraw/zinc/27/93/70/167279370.db2.gz OMDXSEHJYGXNJS-UHFFFAOYSA-N 0 0 325.372 3.095 10 5 EGBERN Cc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000360605423 167366897 /nfs/dbraw/zinc/36/68/97/167366897.db2.gz WAKBTZNLVGOAJN-UHFFFAOYSA-N 0 0 325.368 3.318 10 5 EGBERN CC[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366649844 287211931 /nfs/dbraw/zinc/21/19/31/287211931.db2.gz DYBJWXUGPQGNPK-ABAIWWIYSA-N 0 0 326.780 3.023 10 5 EGBERN CC(=O)c1cc(N2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000367360104 168213360 /nfs/dbraw/zinc/21/33/60/168213360.db2.gz AYVLDLDXCITART-GOSISDBHSA-N 0 0 342.351 3.081 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000158829947 225092990 /nfs/dbraw/zinc/09/29/90/225092990.db2.gz GQEODDDJQKNWBZ-NEPJUHHUSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCOCc1ccccc1 ZINC000159318516 225193616 /nfs/dbraw/zinc/19/36/16/225193616.db2.gz FHOUPKAMYVKGQI-UHFFFAOYSA-N 0 0 328.368 3.192 10 5 EGBERN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccnc1 ZINC000123359797 222264157 /nfs/dbraw/zinc/26/41/57/222264157.db2.gz ROUHPFFCKKKGCC-CQSZACIVSA-N 0 0 327.384 3.450 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125412359 222559829 /nfs/dbraw/zinc/55/98/29/222559829.db2.gz XVEMUACRFHNPCA-BLLLJJGKSA-N 0 0 342.399 3.245 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(C2)CCCCC3)c1 ZINC000154804152 264809853 /nfs/dbraw/zinc/80/98/53/264809853.db2.gz GLZPSYIKFCQKNN-UHFFFAOYSA-N 0 0 338.429 3.081 10 5 EGBERN Cc1ccc(NC(=O)NCc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000174187324 265029643 /nfs/dbraw/zinc/02/96/43/265029643.db2.gz RXNXOUBNAQKNHB-UHFFFAOYSA-N 0 0 331.376 3.077 10 5 EGBERN CCOc1c(F)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175071904 265089633 /nfs/dbraw/zinc/08/96/33/265089633.db2.gz BYIQWNWYGGOIJA-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN CC(C)[C@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175206448 265100920 /nfs/dbraw/zinc/10/09/20/265100920.db2.gz SOZKZTSCTLLCAM-CQSZACIVSA-N 0 0 349.431 3.440 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000175240148 265102861 /nfs/dbraw/zinc/10/28/61/265102861.db2.gz BWXFYALJSPDDMF-HZPDHXFCSA-N 0 0 349.431 3.354 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000177805555 265278237 /nfs/dbraw/zinc/27/82/37/265278237.db2.gz WYOQKIUXXXJBRZ-CQSZACIVSA-N 0 0 330.388 3.333 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000177845772 265282112 /nfs/dbraw/zinc/28/21/12/265282112.db2.gz FBZSRQWXSHWAND-XJKSGUPXSA-N 0 0 340.379 3.332 10 5 EGBERN C[C@H]1COCC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000193810610 266064324 /nfs/dbraw/zinc/06/43/24/266064324.db2.gz BAGQTPUQIYUZMZ-GXFFZTMASA-N 0 0 347.396 3.329 10 5 EGBERN COc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000193854613 266069500 /nfs/dbraw/zinc/06/95/00/266069500.db2.gz RVENACGXKAYQSJ-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000193871538 266070637 /nfs/dbraw/zinc/07/06/37/266070637.db2.gz DOJSEYOFMSTRIO-UHFFFAOYSA-N 0 0 330.384 3.158 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195148879 266163043 /nfs/dbraw/zinc/16/30/43/266163043.db2.gz VFMGMORHLFXJFY-GFCCVEGCSA-N 0 0 341.367 3.437 10 5 EGBERN COc1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000270264096 266442246 /nfs/dbraw/zinc/44/22/46/266442246.db2.gz IWMGGOSRTKEXIO-UHFFFAOYSA-N 0 0 328.315 3.045 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000272141904 266778892 /nfs/dbraw/zinc/77/88/92/266778892.db2.gz UTPMBFHGBFHQRP-GOEBONIOSA-N 0 0 334.416 3.026 10 5 EGBERN CCOc1cccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000273820876 267116331 /nfs/dbraw/zinc/11/63/31/267116331.db2.gz CRMDBJTXZFIOAM-HIFRSBDPSA-N 0 0 330.388 3.278 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(n1)CCCC2 ZINC000278393672 268003271 /nfs/dbraw/zinc/00/32/71/268003271.db2.gz KCBVRAXSVDGPOS-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410780 268007708 /nfs/dbraw/zinc/00/77/08/268007708.db2.gz QAUOXNJJRGTNNA-VIFPVBQESA-N 0 0 333.266 3.277 10 5 EGBERN CCO[C@H](C)c1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184978307 275214290 /nfs/dbraw/zinc/21/42/90/275214290.db2.gz DGXJPDBYKGMUJM-SNVBAGLBSA-N 0 0 344.327 3.203 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278915154 275287243 /nfs/dbraw/zinc/28/72/43/275287243.db2.gz WETKIEDRTCHBIM-QWRGUYRKSA-N 0 0 345.321 3.196 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279255332 275316634 /nfs/dbraw/zinc/31/66/34/275316634.db2.gz RITDLGVEEKBVMO-ZWNOBZJWSA-N 0 0 347.289 3.418 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2ccccc2C1 ZINC000279805979 275361206 /nfs/dbraw/zinc/36/12/06/275361206.db2.gz WXKIPTXZJGBWAC-HNNXBMFYSA-N 0 0 340.379 3.281 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1OC ZINC000282267583 275617054 /nfs/dbraw/zinc/61/70/54/275617054.db2.gz SUXDDEMWSZYFMJ-LLVKDONJSA-N 0 0 331.372 3.237 10 5 EGBERN CC(=O)c1cc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000287102253 276083923 /nfs/dbraw/zinc/08/39/23/276083923.db2.gz ZFHSFDCOJBUEND-CYBMUJFWSA-N 0 0 348.399 3.356 10 5 EGBERN Cc1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(Cl)n1 ZINC000288501465 276220736 /nfs/dbraw/zinc/22/07/36/276220736.db2.gz UJLMAVKVHHRJIX-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(C1)Oc1ccccc1O2 ZINC000288805345 276254897 /nfs/dbraw/zinc/25/48/97/276254897.db2.gz GEZBWLLPIUVNNS-UHFFFAOYSA-N 0 0 340.335 3.175 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000292090463 276731939 /nfs/dbraw/zinc/73/19/39/276731939.db2.gz DDGXUTHSELUPLO-LLVKDONJSA-N 0 0 349.387 3.113 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000357606818 277267852 /nfs/dbraw/zinc/26/78/52/277267852.db2.gz UOFGZOAIZCBZFW-CQSZACIVSA-N 0 0 347.415 3.136 10 5 EGBERN COc1cc(N2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000122528438 277825263 /nfs/dbraw/zinc/82/52/63/277825263.db2.gz TZSCSBNEZXZKIS-UHFFFAOYSA-N 0 0 345.374 3.459 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC12CCC2 ZINC000408006047 278582846 /nfs/dbraw/zinc/58/28/46/278582846.db2.gz VFHXUEAVWDUJIR-UHFFFAOYSA-N 0 0 339.189 3.434 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2Cc3cnn(-c4ccccc4)c3C2)n1 ZINC000338829935 278665498 /nfs/dbraw/zinc/66/54/98/278665498.db2.gz JYZXFUXVWUDGAS-UHFFFAOYSA-N 0 0 335.367 3.313 10 5 EGBERN Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)C[C@H](C)O2 ZINC000175051921 278879132 /nfs/dbraw/zinc/87/91/32/278879132.db2.gz WGWDRBIGJBPISQ-NSHDSACASA-N 0 0 327.340 3.034 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000343371083 279013046 /nfs/dbraw/zinc/01/30/46/279013046.db2.gz UKGBPPHJWQZUSD-ZDUSSCGKSA-N 0 0 345.399 3.035 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C(F)F ZINC000337292159 279752557 /nfs/dbraw/zinc/75/25/57/279752557.db2.gz ONYUAWTYLHESNJ-CYBMUJFWSA-N 0 0 327.331 3.043 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000363731875 280191498 /nfs/dbraw/zinc/19/14/98/280191498.db2.gz CUEMKNFWAZDTCC-GOEBONIOSA-N 0 0 345.399 3.134 10 5 EGBERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000192407178 280319175 /nfs/dbraw/zinc/31/91/75/280319175.db2.gz LRZROOIDZVERBT-LQJRIPTKSA-N 0 0 349.774 3.348 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012789001 281018219 /nfs/dbraw/zinc/01/82/19/281018219.db2.gz LCHGHXMCTJOFBL-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)[C@H](C)CCO)n1 ZINC000359087207 301202784 /nfs/dbraw/zinc/20/27/84/301202784.db2.gz XFTYZOIFBRQKQU-OAHLLOKOSA-N 0 0 329.400 3.384 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)c1C ZINC000360201962 301859315 /nfs/dbraw/zinc/85/93/15/301859315.db2.gz HMEJYQXGBROAJX-CMPLNLGQSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1cnc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000266195726 302354154 /nfs/dbraw/zinc/35/41/54/302354154.db2.gz HNMBHBIXAIZZDL-BLLLJJGKSA-N 0 0 331.347 3.404 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000119846341 303052512 /nfs/dbraw/zinc/05/25/12/303052512.db2.gz YUHONZIPEQLNOD-UHFFFAOYSA-N 0 0 342.399 3.303 10 5 EGBERN Cc1c(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000055013127 307339623 /nfs/dbraw/zinc/33/96/23/307339623.db2.gz KHTIEBCUEUXGJF-MRXNPFEDSA-N 0 0 335.404 3.029 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067502666 307365993 /nfs/dbraw/zinc/36/59/93/307365993.db2.gz CVGWXVACQNJASE-CVEARBPZSA-N 0 0 328.393 3.359 10 5 EGBERN CCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000081808945 307442681 /nfs/dbraw/zinc/44/26/81/307442681.db2.gz CGAXAAUAKKYKOM-UHFFFAOYSA-N 0 0 339.395 3.120 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCCc1cccc([N+](=O)[O-])c1 ZINC000089835656 307453708 /nfs/dbraw/zinc/45/37/08/307453708.db2.gz KXTCOEDLVYFKCS-OAHLLOKOSA-N 0 0 340.379 3.210 10 5 EGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1F ZINC000090505988 307459617 /nfs/dbraw/zinc/45/96/17/307459617.db2.gz NYNRBARHVAUGNO-SNVBAGLBSA-N 0 0 330.315 3.334 10 5 EGBERN CCOc1ccc(C(=O)NCC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414012128 309056378 /nfs/dbraw/zinc/05/63/78/309056378.db2.gz REXNGDQSUQWNLD-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1CO ZINC000132977398 307665793 /nfs/dbraw/zinc/66/57/93/307665793.db2.gz TZKYRVKXBBAZFZ-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1S(C)(=O)=O ZINC000134889411 307694526 /nfs/dbraw/zinc/69/45/26/307694526.db2.gz DAJGIMZVHZAFAF-UHFFFAOYSA-N 0 0 334.397 3.227 10 5 EGBERN CCc1oc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000153325456 307770612 /nfs/dbraw/zinc/77/06/12/307770612.db2.gz FHJOHGBCYWQENP-UHFFFAOYSA-N 0 0 340.339 3.497 10 5 EGBERN Cc1cccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000153926958 307784248 /nfs/dbraw/zinc/78/42/48/307784248.db2.gz RKDDMKGGLUNMOO-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN COc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000157873992 307851545 /nfs/dbraw/zinc/85/15/45/307851545.db2.gz ZRFOSAKPXXVQLV-UHFFFAOYSA-N 0 0 327.340 3.194 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)N[C@@H](C)c1ccccc1 ZINC000160324075 307887941 /nfs/dbraw/zinc/88/79/41/307887941.db2.gz ZGCCYSWEJKLOQJ-NWDGAFQWSA-N 0 0 331.397 3.348 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000293978188 308179775 /nfs/dbraw/zinc/17/97/75/308179775.db2.gz KVFXXXDJOMPVAW-SNVBAGLBSA-N 0 0 327.178 3.290 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000294938143 308273699 /nfs/dbraw/zinc/27/36/99/308273699.db2.gz LHQWBRSGJKMVFI-UHFFFAOYSA-N 0 0 335.360 3.025 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCc2scnc2C)c([N+](=O)[O-])c1 ZINC000295002154 308280512 /nfs/dbraw/zinc/28/05/12/308280512.db2.gz OGDKEXRUJPBVLN-GQCTYLIASA-N 0 0 347.396 3.201 10 5 EGBERN C[C@@]12CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000295342778 308316512 /nfs/dbraw/zinc/31/65/12/308316512.db2.gz NPFYBKHXNGDFPV-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC ZINC000296013545 308384724 /nfs/dbraw/zinc/38/47/24/308384724.db2.gz LETIMWAWDFOOQT-NOZJJQNGSA-N 0 0 328.796 3.348 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000296112053 308394731 /nfs/dbraw/zinc/39/47/31/308394731.db2.gz QKVLRAQFIBBACM-UHFFFAOYSA-N 0 0 334.763 3.420 10 5 EGBERN Cc1nc(N2CCc3cccc(Br)c3C2)ncc1[N+](=O)[O-] ZINC000297009986 308489463 /nfs/dbraw/zinc/48/94/63/308489463.db2.gz GKCPFULHYPFIMF-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN Cc1sc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000299684273 308684282 /nfs/dbraw/zinc/68/42/82/308684282.db2.gz PXPMFJRBYLHXAT-HNNXBMFYSA-N 0 0 346.408 3.351 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301303138 308695801 /nfs/dbraw/zinc/69/58/01/308695801.db2.gz WKDNFRYFTUGRAP-VXGBXAGGSA-N 0 0 337.445 3.063 10 5 EGBERN CNC(=O)c1ccc(NC[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000301369523 308698094 /nfs/dbraw/zinc/69/80/94/308698094.db2.gz PJBFBTXOYMHQHV-ZDUSSCGKSA-N 0 0 327.384 3.478 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3C[C@@H]3C3CCCCC3)cc2N1 ZINC000301675962 308710389 /nfs/dbraw/zinc/71/03/89/308710389.db2.gz HNSKAERXYLQGTO-VXGBXAGGSA-N 0 0 331.372 3.306 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc4ccccc4o3)cc2N1 ZINC000301685630 308710878 /nfs/dbraw/zinc/71/08/78/308710878.db2.gz LKPWXBLREYJOKZ-UHFFFAOYSA-N 0 0 339.307 3.284 10 5 EGBERN COc1cc(N[C@H](C)c2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000301820506 308716809 /nfs/dbraw/zinc/71/68/09/308716809.db2.gz GKAQMSXHTAOEQO-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000301982142 308724043 /nfs/dbraw/zinc/72/40/43/308724043.db2.gz AFRDOFKBXXTGAD-AWEZNQCLSA-N 0 0 347.802 3.431 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302023034 308725577 /nfs/dbraw/zinc/72/55/77/308725577.db2.gz OVPNVMBPGVEWRF-UHFFFAOYSA-N 0 0 337.376 3.131 10 5 EGBERN COc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3C)c21 ZINC000302065922 308727893 /nfs/dbraw/zinc/72/78/93/308727893.db2.gz SNUXUEGWQGKEBL-UHFFFAOYSA-N 0 0 326.356 3.443 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccc(Cn3ccnc3)cc1)CCN2 ZINC000302445435 308737419 /nfs/dbraw/zinc/73/74/19/308737419.db2.gz NYJWEUQTLIFUSL-UHFFFAOYSA-N 0 0 349.394 3.420 10 5 EGBERN COC(=O)c1cnc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000302750845 308744188 /nfs/dbraw/zinc/74/41/88/308744188.db2.gz HBYJOPVXBKFEEW-JOYOIKCWSA-N 0 0 349.293 3.023 10 5 EGBERN Cc1cccc2c1ncnc2N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000302757250 308744467 /nfs/dbraw/zinc/74/44/67/308744467.db2.gz IXTNFGHKBKHDTM-UHFFFAOYSA-N 0 0 336.351 3.114 10 5 EGBERN CN(Cc1ccccc1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302826473 308747280 /nfs/dbraw/zinc/74/72/80/308747280.db2.gz AOSLDPVBYIITEL-UHFFFAOYSA-N 0 0 345.374 3.207 10 5 EGBERN O=[N+]([O-])c1cc(I)ccc1NCCCCF ZINC000309205040 308762903 /nfs/dbraw/zinc/76/29/03/308762903.db2.gz CEKHGKKIOSWTLT-UHFFFAOYSA-N 0 0 338.120 3.361 10 5 EGBERN C[C@H](C(=O)Nc1cccc(CCCO)c1)c1cccc([N+](=O)[O-])c1 ZINC000326119295 308770570 /nfs/dbraw/zinc/77/05/70/308770570.db2.gz LPEDUCVKBWXZBF-ZDUSSCGKSA-N 0 0 328.368 3.262 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cn[nH]c1 ZINC000342130428 308880504 /nfs/dbraw/zinc/88/05/04/308880504.db2.gz OYWGHQOMRDDKPJ-SNVBAGLBSA-N 0 0 334.401 3.309 10 5 EGBERN COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000410475223 308917570 /nfs/dbraw/zinc/91/75/70/308917570.db2.gz ZEBHULAQKWACLG-BTDLBPIBSA-N 0 0 344.342 3.406 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC23CCC(CC2)CC3)cc1OC ZINC000411052826 308924621 /nfs/dbraw/zinc/92/46/21/308924621.db2.gz WWSUKNBJWIPGCV-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413358664 309028568 /nfs/dbraw/zinc/02/85/68/309028568.db2.gz WTPRPQFOGTURRQ-DUPGQFARSA-N 0 0 335.404 3.159 10 5 EGBERN CCOC(=O)c1ccnc(N2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000413460819 309033038 /nfs/dbraw/zinc/03/30/38/309033038.db2.gz UPRLHGRETDKOSJ-UHFFFAOYSA-N 0 0 347.758 3.340 10 5 EGBERN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000413475952 309033663 /nfs/dbraw/zinc/03/36/63/309033663.db2.gz DFWCJGQKYIZRDX-RDTXWAMCSA-N 0 0 326.327 3.369 10 5 EGBERN COC1([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000416028975 309155371 /nfs/dbraw/zinc/15/53/71/309155371.db2.gz NFJDEBCRGPVHMQ-SNVBAGLBSA-N 0 0 326.780 3.244 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416042718 309155978 /nfs/dbraw/zinc/15/59/78/309155978.db2.gz GKNFYJHICUTDBM-LBPRGKRZSA-N 0 0 336.294 3.313 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(OC2CCC2)CC1 ZINC000416256393 309166078 /nfs/dbraw/zinc/16/60/78/309166078.db2.gz GGDPMVWOZUXZEB-UHFFFAOYSA-N 0 0 343.383 3.250 10 5 EGBERN COC(=O)c1cc(NC(=O)N2CC(C)(C)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000417050686 309191044 /nfs/dbraw/zinc/19/10/44/309191044.db2.gz LAJBXHQHUWPSQG-JTQLQIEISA-N 0 0 349.387 3.342 10 5 EGBERN O=[N+]([O-])c1ccccc1CNc1ccc(F)cc1N1CCOCC1 ZINC000417067337 309191757 /nfs/dbraw/zinc/19/17/57/309191757.db2.gz SAJHHAHLAYBNDP-UHFFFAOYSA-N 0 0 331.347 3.183 10 5 EGBERN COc1cc(CN2CCC(OC)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000419362020 309265274 /nfs/dbraw/zinc/26/52/74/309265274.db2.gz XXCLBVQAJBMHQH-UHFFFAOYSA-N 0 0 348.321 3.147 10 5 EGBERN O=C(NC[C@@H]1CC12CCSCC2)Nc1ccc([N+](=O)[O-])cc1F ZINC000421218713 309316536 /nfs/dbraw/zinc/31/65/36/309316536.db2.gz KTVACEXVUMGESG-JTQLQIEISA-N 0 0 339.392 3.389 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421672633 309334021 /nfs/dbraw/zinc/33/40/21/309334021.db2.gz VBORJTAFBYIOOB-WDEREUQCSA-N 0 0 346.305 3.301 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000421674243 309334160 /nfs/dbraw/zinc/33/41/60/309334160.db2.gz ZVFWELDAPPLQFA-NWDGAFQWSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000421888373 309345126 /nfs/dbraw/zinc/34/51/26/309345126.db2.gz JIHUKJVEGKDJCW-UHFFFAOYSA-N 0 0 346.427 3.369 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000422238828 309358947 /nfs/dbraw/zinc/35/89/47/309358947.db2.gz MAYBHHYKZPWNNK-RHSMWYFYSA-N 0 0 347.415 3.226 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000422241956 309359066 /nfs/dbraw/zinc/35/90/66/309359066.db2.gz SSCPMAKKDQCSDC-ZBFHGGJFSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1ccc(C2CC2)c(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000424353013 309440133 /nfs/dbraw/zinc/44/01/33/309440133.db2.gz FNWYGTQXUKUGNH-UHFFFAOYSA-N 0 0 325.328 3.231 10 5 EGBERN COC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC000425989444 309496771 /nfs/dbraw/zinc/49/67/71/309496771.db2.gz KLZBBTLKKIENSZ-UHFFFAOYSA-N 0 0 345.336 3.177 10 5 EGBERN O=C(N[C@@H]1CCCC(F)(F)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426620864 309510541 /nfs/dbraw/zinc/51/05/41/309510541.db2.gz XIKOYZKODRJCNE-CYBMUJFWSA-N 0 0 339.342 3.240 10 5 EGBERN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC(C)(C)C1 ZINC000426682440 309512605 /nfs/dbraw/zinc/51/26/05/309512605.db2.gz IORFUTRVHRQLGL-CYBMUJFWSA-N 0 0 345.399 3.496 10 5 EGBERN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426804261 309517230 /nfs/dbraw/zinc/51/72/30/309517230.db2.gz SQCYXESXLZWQFM-GOSISDBHSA-N 0 0 342.395 3.306 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000427593018 309531767 /nfs/dbraw/zinc/53/17/67/309531767.db2.gz IAVMOTLXWOOXLS-LSDHHAIUSA-N 0 0 342.399 3.267 10 5 EGBERN O=C1NCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434879695 309721590 /nfs/dbraw/zinc/72/15/90/309721590.db2.gz JQUTWEYFTVFETJ-NSHDSACASA-N 0 0 349.437 3.498 10 5 EGBERN O=C(NCCCc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000435419890 309732395 /nfs/dbraw/zinc/73/23/95/309732395.db2.gz AGZBDZLOXMULFI-UHFFFAOYSA-N 0 0 325.324 3.099 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)c1cccnc1C ZINC000435624004 309736754 /nfs/dbraw/zinc/73/67/54/309736754.db2.gz BFWVILNTTDFAIP-UHFFFAOYSA-N 0 0 349.412 3.076 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000436003212 309744705 /nfs/dbraw/zinc/74/47/05/309744705.db2.gz GSDBCNZLJVWIAA-SECBINFHSA-N 0 0 339.189 3.396 10 5 EGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000437387374 309791782 /nfs/dbraw/zinc/79/17/82/309791782.db2.gz HTWZIKAZHOSELQ-INIZCTEOSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1ncc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000439413710 309832365 /nfs/dbraw/zinc/83/23/65/309832365.db2.gz YPWFNJUCIXTWMX-SNVBAGLBSA-N 0 0 341.371 3.453 10 5 EGBERN C[C@H](c1nc([C@H]2CCOC[C@H]2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000442693197 309884696 /nfs/dbraw/zinc/88/46/96/309884696.db2.gz IVAVHPYEELORCH-SCVCMEIPSA-N 0 0 335.335 3.409 10 5 EGBERN C[C@@H]1CN(Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@@H](C)O1 ZINC000443517582 309902445 /nfs/dbraw/zinc/90/24/45/309902445.db2.gz ISZUAKRELDLQBT-VXGBXAGGSA-N 0 0 348.428 3.404 10 5 EGBERN C[C@H]1CCCC[C@H]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774762 309907848 /nfs/dbraw/zinc/90/78/48/309907848.db2.gz SIMAMTFGXYSCBP-ZFWWWQNUSA-N 0 0 340.445 3.231 10 5 EGBERN CCC[C@]1(C)CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443776989 309907973 /nfs/dbraw/zinc/90/79/73/309907973.db2.gz DYFKOCHYMVVCAN-MRXNPFEDSA-N 0 0 340.445 3.327 10 5 EGBERN CCO[C@@H](C)c1ncc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000443822483 309908306 /nfs/dbraw/zinc/90/83/06/309908306.db2.gz GJWFPVUQMLYGEF-JTQLQIEISA-N 0 0 335.385 3.425 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000445574915 309943716 /nfs/dbraw/zinc/94/37/16/309943716.db2.gz BNKVRMNLQAHHKR-MNOVXSKESA-N 0 0 345.746 3.303 10 5 EGBERN Cc1c(Br)c(N2C[C@H](C)O[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000445666145 309945258 /nfs/dbraw/zinc/94/52/58/309945258.db2.gz UULVIIXCVODDFY-SFGNSQDASA-N 0 0 344.209 3.063 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000446023653 309953517 /nfs/dbraw/zinc/95/35/17/309953517.db2.gz HISCCOMUVKISKE-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN CNC(=O)c1ccc(N2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000446854563 309969634 /nfs/dbraw/zinc/96/96/34/309969634.db2.gz ADECHJNZBWLAKJ-LJQANCHMSA-N 0 0 339.395 3.122 10 5 EGBERN CCC(CC)[C@@H]1C[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671399 309985446 /nfs/dbraw/zinc/98/54/46/309985446.db2.gz MMRWQRXCDQACJK-WBMJQRKESA-N 0 0 332.404 3.289 10 5 EGBERN Cn1ccnc1[C@@H](NCCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449348022 310055822 /nfs/dbraw/zinc/05/58/22/310055822.db2.gz ADHSDFHFHIHWNV-AWEZNQCLSA-N 0 0 338.358 3.443 10 5 EGBERN Cn1ccnc1[C@H](NCCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449348023 310055899 /nfs/dbraw/zinc/05/58/99/310055899.db2.gz ADHSDFHFHIHWNV-CQSZACIVSA-N 0 0 338.358 3.443 10 5 EGBERN Cc1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419475 310060272 /nfs/dbraw/zinc/06/02/72/310060272.db2.gz HNCNFMWJZHSEFT-MJGOQNOKSA-N 0 0 344.386 3.203 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cncc(Cl)c1 ZINC000449912724 310093685 /nfs/dbraw/zinc/09/36/85/310093685.db2.gz PCLHVIOEYJGXSS-UHFFFAOYSA-N 0 0 333.775 3.396 10 5 EGBERN COC(=O)c1cc(NC(=O)C(C)(C)C(C)(F)F)cc([N+](=O)[O-])c1 ZINC000449935162 310094842 /nfs/dbraw/zinc/09/48/42/310094842.db2.gz OYLOAHVDUNLIOH-UHFFFAOYSA-N 0 0 330.287 3.001 10 5 EGBERN CC[C@@H](NC(=O)[C@@H](Cc1ccccc1)OC)c1cccc([N+](=O)[O-])c1 ZINC000450052190 310100790 /nfs/dbraw/zinc/10/07/90/310100790.db2.gz KROOPNUNJMWECE-QZTJIDSGSA-N 0 0 342.395 3.420 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000450383941 310119407 /nfs/dbraw/zinc/11/94/07/310119407.db2.gz AISWYGJMODXPDR-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000450657639 310135531 /nfs/dbraw/zinc/13/55/31/310135531.db2.gz LWALNSCJKIDZCY-CRAIPNDOSA-N 0 0 330.359 3.208 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000450673754 310136569 /nfs/dbraw/zinc/13/65/69/310136569.db2.gz AGBPTTCIABJVQU-YUTCNCBUSA-N 0 0 325.796 3.163 10 5 EGBERN CCn1cc([C@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cn1 ZINC000450868859 310146800 /nfs/dbraw/zinc/14/68/00/310146800.db2.gz AEIMXPKMEKRPHU-NSHDSACASA-N 0 0 332.360 3.079 10 5 EGBERN O=C(N[C@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451188864 310165019 /nfs/dbraw/zinc/16/50/19/310165019.db2.gz FSANLVVHZLONAD-INIZCTEOSA-N 0 0 340.383 3.233 10 5 EGBERN CC(=O)N[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000451765406 310196291 /nfs/dbraw/zinc/19/62/91/310196291.db2.gz XWYDDHUKJOIXQX-OAHLLOKOSA-N 0 0 349.431 3.382 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@](C)(F)C1 ZINC000452198231 310218117 /nfs/dbraw/zinc/21/81/17/310218117.db2.gz UNCYJXCLHKCUSR-BMIGLBTASA-N 0 0 344.770 3.366 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000452208846 310218658 /nfs/dbraw/zinc/21/86/58/310218658.db2.gz QBOFHZXYMQUPTE-CQSZACIVSA-N 0 0 332.278 3.160 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000452363681 310224810 /nfs/dbraw/zinc/22/48/10/310224810.db2.gz CQSSPLIHHMDILR-TZMCWYRMSA-N 0 0 335.379 3.015 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000452394753 310225596 /nfs/dbraw/zinc/22/55/96/310225596.db2.gz DVGDPZQRMJFRGD-CABCVRRESA-N 0 0 342.399 3.125 10 5 EGBERN COc1cc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000452597699 310233920 /nfs/dbraw/zinc/23/39/20/310233920.db2.gz PNDCMSIVVIOKEJ-SXFBXUMFSA-N 0 0 346.358 3.027 10 5 EGBERN Cc1ncccc1N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000452640590 310235426 /nfs/dbraw/zinc/23/54/26/310235426.db2.gz BKNXFWZEWXJEDQ-GFCCVEGCSA-N 0 0 331.397 3.442 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452798395 310242401 /nfs/dbraw/zinc/24/24/01/310242401.db2.gz AIHAQBFVQVTQOL-BXKDBHETSA-N 0 0 348.321 3.405 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000452821004 310243543 /nfs/dbraw/zinc/24/35/43/310243543.db2.gz DSLSEBXVJWBHQX-PXAZEXFGSA-N 0 0 345.399 3.257 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452903606 310248081 /nfs/dbraw/zinc/24/80/81/310248081.db2.gz UZTDFYRRKCUBCW-WCQYABFASA-N 0 0 326.418 3.146 10 5 EGBERN C[C@@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCO1 ZINC000453232702 310265652 /nfs/dbraw/zinc/26/56/52/310265652.db2.gz HIXCGCKLLQHZRV-GHMZBOCLSA-N 0 0 344.371 3.285 10 5 EGBERN Cc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454146857 310294523 /nfs/dbraw/zinc/29/45/23/310294523.db2.gz MZOUBZWEIONKAT-XJKSGUPXSA-N 0 0 335.404 3.476 10 5 EGBERN O=C(NCc1cscn1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454408112 310308128 /nfs/dbraw/zinc/30/81/28/310308128.db2.gz AAEHXACNYVGFRY-ZDUSSCGKSA-N 0 0 346.412 3.141 10 5 EGBERN C[C@]1(F)CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000454547552 310316123 /nfs/dbraw/zinc/31/61/23/310316123.db2.gz HXQCPZPYXMCNQF-KRWDZBQOSA-N 0 0 337.395 3.451 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000455403894 310359097 /nfs/dbraw/zinc/35/90/97/310359097.db2.gz ASDBKCABKDPHAB-RHSMWYFYSA-N 0 0 349.431 3.187 10 5 EGBERN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000455406257 310359215 /nfs/dbraw/zinc/35/92/15/310359215.db2.gz UYSNVFJQVIRPEP-SSDOTTSWSA-N 0 0 328.166 3.277 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCC2=CCOCC2)cc1[N+](=O)[O-] ZINC000455426573 310360017 /nfs/dbraw/zinc/36/00/17/310360017.db2.gz ZIAGVHFENUOLJY-UHFFFAOYSA-N 0 0 333.388 3.361 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000456084089 310387855 /nfs/dbraw/zinc/38/78/55/310387855.db2.gz GIHCKOHIONKMPF-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cc(CO)oc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456137960 310390217 /nfs/dbraw/zinc/39/02/17/310390217.db2.gz JSXVRCWNBLBBPO-CQSZACIVSA-N 0 0 344.367 3.008 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456246685 310394833 /nfs/dbraw/zinc/39/48/33/310394833.db2.gz IISKGBJMEIXQON-CXAGYDPISA-N 0 0 336.338 3.063 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456307927 310397660 /nfs/dbraw/zinc/39/76/60/310397660.db2.gz ULSXKVNXBHJNCP-RDJZCZTQSA-N 0 0 325.368 3.337 10 5 EGBERN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000456756965 310421380 /nfs/dbraw/zinc/42/13/80/310421380.db2.gz MXNZVBFYNUITLK-UHFFFAOYSA-N 0 0 331.347 3.302 10 5 EGBERN CC(C)(C)C1CC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000457583723 310461627 /nfs/dbraw/zinc/46/16/27/310461627.db2.gz BVCXCNOXBRVHGA-RUXDESIVSA-N 0 0 346.431 3.075 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(C(F)F)CC1 ZINC000458176403 310489692 /nfs/dbraw/zinc/48/96/92/310489692.db2.gz FQRHCMHRMZTRHI-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000458240026 310493751 /nfs/dbraw/zinc/49/37/51/310493751.db2.gz PPBXSTSYNBZLHE-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN CCc1ncc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000459046042 310531675 /nfs/dbraw/zinc/53/16/75/310531675.db2.gz FTKBOKVKMARNBX-UHFFFAOYSA-N 0 0 346.387 3.265 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCCCC2)s1 ZINC000464216832 310618423 /nfs/dbraw/zinc/61/84/23/310618423.db2.gz WFQRLDWMJIPZJM-UHFFFAOYSA-N 0 0 330.431 3.215 10 5 EGBERN COC(=O)c1cc(NC[C@H](OC)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474774417 310799079 /nfs/dbraw/zinc/79/90/79/310799079.db2.gz JHVASOZXZZMZHD-INIZCTEOSA-N 0 0 344.367 3.489 10 5 EGBERN COC(=O)c1cc(NC[C@H](O)C2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000474784404 310799396 /nfs/dbraw/zinc/79/93/96/310799396.db2.gz LANNFZKZRLKZFP-HNNXBMFYSA-N 0 0 336.388 3.043 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000476150561 310823019 /nfs/dbraw/zinc/82/30/19/310823019.db2.gz JOIZBMDZSKHSER-HNNXBMFYSA-N 0 0 342.351 3.084 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000479768366 310883557 /nfs/dbraw/zinc/88/35/57/310883557.db2.gz PRZAQKCHIYRKCV-LBPRGKRZSA-N 0 0 343.387 3.445 10 5 EGBERN Cc1cc(Cc2noc(COc3ccc(O)cc3)n2)ccc1[N+](=O)[O-] ZINC000486074658 310987417 /nfs/dbraw/zinc/98/74/17/310987417.db2.gz ALLPFPBHCDJMLK-UHFFFAOYSA-N 0 0 341.323 3.162 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000487024285 311007536 /nfs/dbraw/zinc/00/75/36/311007536.db2.gz GNEILTWWWOGRIU-JSGCOSHPSA-N 0 0 330.388 3.416 10 5 EGBERN COc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000487103162 311010754 /nfs/dbraw/zinc/01/07/54/311010754.db2.gz MAFXDGNLVZCXGE-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(N2CCNC2=O)c1C ZINC000487164607 311013244 /nfs/dbraw/zinc/01/32/44/311013244.db2.gz UWRHVQLPEDVCNH-UHFFFAOYSA-N 0 0 340.383 3.353 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(c2ccccn2)CCC1 ZINC000488018088 311047790 /nfs/dbraw/zinc/04/77/90/311047790.db2.gz PWANKJMWRGMXRD-UHFFFAOYSA-N 0 0 334.379 3.494 10 5 EGBERN CC(C)n1cc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1 ZINC000488258482 311058369 /nfs/dbraw/zinc/05/83/69/311058369.db2.gz DVDPXSZUYLUNTG-UHFFFAOYSA-N 0 0 330.266 3.365 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000489613632 311114531 /nfs/dbraw/zinc/11/45/31/311114531.db2.gz SWGVMXLDUTWKEP-INIZCTEOSA-N 0 0 348.786 3.410 10 5 EGBERN CC[C@H](O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000490038944 311130632 /nfs/dbraw/zinc/13/06/32/311130632.db2.gz MBAVBLVBXRFYHL-INIZCTEOSA-N 0 0 330.384 3.381 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000490826988 311154294 /nfs/dbraw/zinc/15/42/94/311154294.db2.gz RLIURZJADUHJLA-LLVKDONJSA-N 0 0 328.315 3.301 10 5 EGBERN CO[C@H](C)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000493079726 311324597 /nfs/dbraw/zinc/32/45/97/311324597.db2.gz MZAWBCODSRCXAR-KGLIPLIRSA-N 0 0 337.420 3.419 10 5 EGBERN C[C@H]1CC(C)(C)c2ccccc2N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000506012083 312040472 /nfs/dbraw/zinc/04/04/72/312040472.db2.gz HPOCBVGJRITICY-AWEZNQCLSA-N 0 0 341.411 3.333 10 5 EGBERN CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000507504233 312075359 /nfs/dbraw/zinc/07/53/59/312075359.db2.gz XLZWLXOOUWBCMM-WDEREUQCSA-N 0 0 332.447 3.149 10 5 EGBERN Cc1cccc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000507960210 312086180 /nfs/dbraw/zinc/08/61/80/312086180.db2.gz CHELLSAYKVLQEE-UHFFFAOYSA-N 0 0 337.383 3.335 10 5 EGBERN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC12CCC2 ZINC000508517917 312095749 /nfs/dbraw/zinc/09/57/49/312095749.db2.gz CEDDIFNXKQJRNF-ZDUSSCGKSA-N 0 0 341.415 3.407 10 5 EGBERN Cc1c(Br)cc(C(=O)NC[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000509664945 312122967 /nfs/dbraw/zinc/12/29/67/312122967.db2.gz QRZKRXPSFJTSJW-XCBNKYQSSA-N 0 0 327.178 3.052 10 5 EGBERN CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512771626 312194943 /nfs/dbraw/zinc/19/49/43/312194943.db2.gz XZDDSRZJIUBIMV-NSHDSACASA-N 0 0 340.426 3.128 10 5 EGBERN C[C@@H](C(=O)N1CCC(C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515939920 312303035 /nfs/dbraw/zinc/30/30/35/312303035.db2.gz NTQVINPDCNWFQG-CQSZACIVSA-N 0 0 346.427 3.364 10 5 EGBERN COCC1(CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000516054606 312306595 /nfs/dbraw/zinc/30/65/95/312306595.db2.gz WAYROBNFOSHMQK-CYBMUJFWSA-N 0 0 335.404 3.080 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4(CF)CCC4)n3)c2c1 ZINC000516569361 312330010 /nfs/dbraw/zinc/33/00/10/312330010.db2.gz IBTYRHNLAPPSRC-UHFFFAOYSA-N 0 0 330.319 3.441 10 5 EGBERN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000520412052 312504576 /nfs/dbraw/zinc/50/45/76/312504576.db2.gz KZFLPXRSTPTOAQ-CHWSQXEVSA-N 0 0 335.404 3.073 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000522034963 312571734 /nfs/dbraw/zinc/57/17/34/312571734.db2.gz INGWUPIELBZHMM-HNNXBMFYSA-N 0 0 341.411 3.405 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525040858 312693592 /nfs/dbraw/zinc/69/35/92/312693592.db2.gz BWRPJZRMBSCVMX-HKUYNNGSSA-N 0 0 340.379 3.372 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cncn1Cc1ccccc1)C2 ZINC000526083864 312790506 /nfs/dbraw/zinc/79/05/06/312790506.db2.gz LAKCUVLHSMNZPE-UHFFFAOYSA-N 0 0 348.406 3.398 10 5 EGBERN O=C(NCCCSc1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633368 313693820 /nfs/dbraw/zinc/69/38/20/313693820.db2.gz LPXXBLSVYYBQHT-UHFFFAOYSA-N 0 0 335.360 3.041 10 5 EGBERN O=C(Nc1nc2c(s1)CCCCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000531881272 313725400 /nfs/dbraw/zinc/72/54/00/313725400.db2.gz MNRATLZFSPRKSN-UHFFFAOYSA-N 0 0 332.385 3.358 10 5 EGBERN O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137059 313759369 /nfs/dbraw/zinc/75/93/69/313759369.db2.gz DJVZGWQKLFSTKM-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532143004 313760814 /nfs/dbraw/zinc/76/08/14/313760814.db2.gz RVTCXJOZSNGEBX-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000534970661 314009597 /nfs/dbraw/zinc/00/95/97/314009597.db2.gz GTCLHOYOWXQDRA-UHFFFAOYSA-N 0 0 333.294 3.077 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000537138241 314163461 /nfs/dbraw/zinc/16/34/61/314163461.db2.gz FNMKNLDOQUMITA-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN C[C@H](NCC(=O)NCCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538277559 314236566 /nfs/dbraw/zinc/23/65/66/314236566.db2.gz SKCUBYJUSBMJAS-AWEZNQCLSA-N 0 0 333.432 3.332 10 5 EGBERN CC(C)Cc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000539695902 314329580 /nfs/dbraw/zinc/32/95/80/314329580.db2.gz FXQWUEJVNLXRCA-GFCCVEGCSA-N 0 0 343.383 3.385 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000540435477 314380705 /nfs/dbraw/zinc/38/07/05/314380705.db2.gz RPSHLYWRBPKUQT-HWPZZCPQSA-N 0 0 346.770 3.429 10 5 EGBERN COc1ccc(CNC(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000540886534 314410996 /nfs/dbraw/zinc/41/09/96/314410996.db2.gz HFKMCKOWBLRCKY-YVMONPNESA-N 0 0 341.367 3.116 10 5 EGBERN CCOC(=O)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000541006812 314428670 /nfs/dbraw/zinc/42/86/70/314428670.db2.gz ZRGXBOGORVJSSU-UHFFFAOYSA-N 0 0 329.356 3.395 10 5 EGBERN CCc1ccc(-c2nc(-c3cccnc3OC)no2)cc1[N+](=O)[O-] ZINC000547063389 314872604 /nfs/dbraw/zinc/87/26/04/314872604.db2.gz LXRACYLDTNFGSN-UHFFFAOYSA-N 0 0 326.312 3.278 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000548494887 315017166 /nfs/dbraw/zinc/01/71/66/315017166.db2.gz BEKZASIRCIWNNC-KOLCDFICSA-N 0 0 345.321 3.440 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nc1 ZINC000552394169 315217691 /nfs/dbraw/zinc/21/76/91/315217691.db2.gz FLTOEFDWSUCMGK-UHFFFAOYSA-N 0 0 343.383 3.477 10 5 EGBERN CCC1(CC)CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000553539638 315268848 /nfs/dbraw/zinc/26/88/48/315268848.db2.gz ACKZTBAUBXGSGQ-UHFFFAOYSA-N 0 0 335.404 3.491 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C(F)(F)F ZINC000554767943 315347881 /nfs/dbraw/zinc/34/78/81/315347881.db2.gz BGEOUOSEKRGKNQ-UHFFFAOYSA-N 0 0 333.310 3.325 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000555044215 315363175 /nfs/dbraw/zinc/36/31/75/315363175.db2.gz JKBZNMJUDXSOQP-CHWSQXEVSA-N 0 0 329.404 3.356 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000558931136 315610666 /nfs/dbraw/zinc/61/06/66/315610666.db2.gz ZMXXUHHGWFYVNC-VMBOVVBDSA-N 0 0 331.416 3.357 10 5 EGBERN CCc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000562120922 315801859 /nfs/dbraw/zinc/80/18/59/315801859.db2.gz SDNWTIYCUPLKRX-HNNXBMFYSA-N 0 0 325.368 3.182 10 5 EGBERN COC(=O)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])CC1CC1 ZINC000569127187 316870658 /nfs/dbraw/zinc/87/06/58/316870658.db2.gz AFGCQXCNKMHSEK-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN COC[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000569898045 316977835 /nfs/dbraw/zinc/97/78/35/316977835.db2.gz CBCBBCJLSYJBMS-SNVBAGLBSA-N 0 0 334.294 3.014 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000570563413 317074113 /nfs/dbraw/zinc/07/41/13/317074113.db2.gz GCLZVHNVVCSCNZ-LSDHHAIUSA-N 0 0 334.416 3.364 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)C1 ZINC000571065564 317147230 /nfs/dbraw/zinc/14/72/30/317147230.db2.gz IVGRBNSNWJUICZ-WDEREUQCSA-N 0 0 331.328 3.010 10 5 EGBERN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000571834225 317254000 /nfs/dbraw/zinc/25/40/00/317254000.db2.gz FKIYFSNXVYIQNU-WDEREUQCSA-N 0 0 328.290 3.463 10 5 EGBERN CC(C)[C@H]1C[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000571851974 317256223 /nfs/dbraw/zinc/25/62/23/317256223.db2.gz VAPHRLASZDTKHN-BDJLRTHQSA-N 0 0 346.387 3.107 10 5 EGBERN CCCn1ccnc1CCCN(C)c1c(OC)cccc1[N+](=O)[O-] ZINC000572736026 317385280 /nfs/dbraw/zinc/38/52/80/317385280.db2.gz HVDWGEQXRPDBNH-UHFFFAOYSA-N 0 0 332.404 3.279 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000572966574 317418428 /nfs/dbraw/zinc/41/84/28/317418428.db2.gz OBPTZAHFLWNYJN-MRXNPFEDSA-N 0 0 337.379 3.400 10 5 EGBERN CCC(C)(C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573597753 317507279 /nfs/dbraw/zinc/50/72/79/317507279.db2.gz YTRQCFXSQKIEEU-UHFFFAOYSA-N 0 0 332.404 3.354 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171744960 323249065 /nfs/dbraw/zinc/24/90/65/323249065.db2.gz KSXLNNAXLATIMI-KBPBESRZSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1sc(C(=O)NCCCNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000182116236 323526679 /nfs/dbraw/zinc/52/66/79/323526679.db2.gz MWYLVYRIVQFLDS-UHFFFAOYSA-N 0 0 337.376 3.336 10 5 EGBERN Cc1nc(CC2CC2)oc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000349888486 324045707 /nfs/dbraw/zinc/04/57/07/324045707.db2.gz AZMWLNWDKXSXAD-UHFFFAOYSA-N 0 0 340.339 3.485 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3cc(Cl)ccc3o2)n1 ZINC000350907194 324136852 /nfs/dbraw/zinc/13/68/52/324136852.db2.gz ZLBLQKAJKRSWLT-UHFFFAOYSA-N 0 0 345.702 3.445 10 5 EGBERN Cc1cc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575127017 324422558 /nfs/dbraw/zinc/42/25/58/324422558.db2.gz WLJYSTZAGOHONU-STQMWFEESA-N 0 0 335.404 3.276 10 5 EGBERN COc1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1F ZINC000575148535 324427813 /nfs/dbraw/zinc/42/78/13/324427813.db2.gz NDLXEPKAMXZCOP-UHFFFAOYSA-N 0 0 332.331 3.408 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC(c3ccncn3)CC1)CCCC2 ZINC000577745938 324859996 /nfs/dbraw/zinc/85/99/96/324859996.db2.gz CFDCEYSUFMJNOL-UHFFFAOYSA-N 0 0 339.399 3.043 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000579233485 325081062 /nfs/dbraw/zinc/08/10/62/325081062.db2.gz LQDRKBUXXRAEKJ-NSHDSACASA-N 0 0 344.371 3.025 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000580756455 325292206 /nfs/dbraw/zinc/29/22/06/325292206.db2.gz MLOWLWRTNZJLGH-ZDUSSCGKSA-N 0 0 334.420 3.153 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000580876863 325304119 /nfs/dbraw/zinc/30/41/19/325304119.db2.gz PMMMZJAWDOSGJE-SJORKVTESA-N 0 0 344.411 3.325 10 5 EGBERN O=C(c1ccc(C2CCC2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582461428 325442678 /nfs/dbraw/zinc/44/26/78/325442678.db2.gz RLSIIIAOSHZRAM-UHFFFAOYSA-N 0 0 337.379 3.456 10 5 EGBERN Cc1c(NC(=O)c2ccn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431185476 458540971 /nfs/dbraw/zinc/54/09/71/458540971.db2.gz YJAGPPQYUDQJSQ-UHFFFAOYSA-N 0 0 338.161 3.257 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000173223105 455250013 /nfs/dbraw/zinc/25/00/13/455250013.db2.gz AVRNELGLRIJHPY-QHCPKHFHSA-N 0 0 336.344 3.032 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2COC[C@H]2C1 ZINC000620149663 460549315 /nfs/dbraw/zinc/54/93/15/460549315.db2.gz CQZCXWROPFIMMK-HZPDHXFCSA-N 0 0 332.403 3.497 10 5 EGBERN COc1cc(OC)cc([C@H](C[N+](=O)[O-])Sc2ccccc2N)c1 ZINC000000102418 452507798 /nfs/dbraw/zinc/50/77/98/452507798.db2.gz BXZSJLYRQWPWJX-INIZCTEOSA-N 0 0 334.397 3.396 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600670487 460561341 /nfs/dbraw/zinc/56/13/41/460561341.db2.gz XQLZCPIYUKPWET-UHFFFAOYSA-N 0 0 332.381 3.125 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000183577196 455308061 /nfs/dbraw/zinc/30/80/61/455308061.db2.gz XSJPRSWAGDAPIO-UHFFFAOYSA-N 0 0 337.339 3.061 10 5 EGBERN O=c1c2ccccc2nc2ccc(N3CCC[C@H]4CCCC[C@@H]43)nn21 ZINC000005152280 452839812 /nfs/dbraw/zinc/83/98/12/452839812.db2.gz KEIZMKJWGWMDSY-PBHICJAKSA-N 0 0 334.423 3.402 10 5 EGBERN Cc1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000005277175 452855592 /nfs/dbraw/zinc/85/55/92/452855592.db2.gz GSNFXDCNJBRLIF-UHFFFAOYSA-N 0 0 329.272 3.400 10 5 EGBERN C[C@@H](c1ccsc1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703898 460573513 /nfs/dbraw/zinc/57/35/13/460573513.db2.gz LWMNZDXDWMHLDX-QFYYESIMSA-N 0 0 345.380 3.185 10 5 EGBERN COc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000600694373 460571600 /nfs/dbraw/zinc/57/16/00/460571600.db2.gz IZCCVTQXZBWNGJ-UHFFFAOYSA-N 0 0 346.305 3.456 10 5 EGBERN Cc1sc(C(=O)NC[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000190551767 455341806 /nfs/dbraw/zinc/34/18/06/455341806.db2.gz UCWWKWJURAUPMA-OAHLLOKOSA-N 0 0 326.418 3.026 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000007949711 453139324 /nfs/dbraw/zinc/13/93/24/453139324.db2.gz VYMOHPGNSPNWBK-PXAZEXFGSA-N 0 0 326.352 3.118 10 5 EGBERN Cc1nc(-c2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)cs1 ZINC000008317677 453189364 /nfs/dbraw/zinc/18/93/64/453189364.db2.gz ROHVNHSGGXRJAN-UHFFFAOYSA-N 0 0 329.385 3.372 10 5 EGBERN Cc1c(Cl)cccc1NC(=O)c1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000009339281 453251457 /nfs/dbraw/zinc/25/14/57/453251457.db2.gz ADMVZHWOPGSKFY-UHFFFAOYSA-N 0 0 349.774 3.213 10 5 EGBERN COc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000612333035 460597487 /nfs/dbraw/zinc/59/74/87/460597487.db2.gz OEHWLRYWIMPSGE-UHFFFAOYSA-N 0 0 342.355 3.195 10 5 EGBERN COc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000612333899 460598215 /nfs/dbraw/zinc/59/82/15/460598215.db2.gz UQFOXYNTXPNCKM-UHFFFAOYSA-N 0 0 344.371 3.143 10 5 EGBERN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000012975669 453432859 /nfs/dbraw/zinc/43/28/59/453432859.db2.gz SJDJEVRBGAVNOR-NSHDSACASA-N 0 0 343.339 3.249 10 5 EGBERN O=[N+]([O-])c1cc(NS(=O)(=O)/C=C/c2ccccc2)c(F)cc1F ZINC000013015796 453440903 /nfs/dbraw/zinc/44/09/03/453440903.db2.gz IYGDODNEKBKMEP-VOTSOKGWSA-N 0 0 340.307 3.286 10 5 EGBERN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc(C)c1C ZINC000014123475 453508787 /nfs/dbraw/zinc/50/87/87/453508787.db2.gz NNEWGAPPEHJNRF-UHFFFAOYSA-N 0 0 347.396 3.469 10 5 EGBERN CC(C)c1cc2[nH]nc(I)c2c([N+](=O)[O-])c1 ZINC000014985928 453550259 /nfs/dbraw/zinc/55/02/59/453550259.db2.gz CIRRGFDFBGARJC-UHFFFAOYSA-N 0 0 331.113 3.199 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000015132875 453558717 /nfs/dbraw/zinc/55/87/17/453558717.db2.gz IMVBMENYFQFMSO-VIFPVBQESA-N 0 0 336.369 3.165 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)n1 ZINC000600801393 460609548 /nfs/dbraw/zinc/60/95/48/460609548.db2.gz GTQYQVCDROUDSE-CYBMUJFWSA-N 0 0 348.790 3.272 10 5 EGBERN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000025252635 453763280 /nfs/dbraw/zinc/76/32/80/453763280.db2.gz VVQBTIYGSXWYAE-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN O=C(OC[C@@H]1CCCO1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000025396865 453769575 /nfs/dbraw/zinc/76/95/75/453769575.db2.gz FYQJPKCGGDRHIJ-HNNXBMFYSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1c([C@H](C)Nc2c([N+](=O)[O-])ncn2C)cnn1-c1ccc(F)cc1 ZINC000025494809 453774417 /nfs/dbraw/zinc/77/44/17/453774417.db2.gz KDSNFOREPAOPHM-JTQLQIEISA-N 0 0 344.350 3.135 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000026048929 453791955 /nfs/dbraw/zinc/79/19/55/453791955.db2.gz ZFOFWLSRGUDXDR-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC(c2nnc3ccccn32)CC1 ZINC000026759961 453805330 /nfs/dbraw/zinc/80/53/30/453805330.db2.gz LQAVYEAMLNRERQ-UHFFFAOYSA-N 0 0 341.346 3.161 10 5 EGBERN Cc1sc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000028837779 453825058 /nfs/dbraw/zinc/82/50/58/453825058.db2.gz AHCCUSPXMVZPBT-CYBMUJFWSA-N 0 0 349.412 3.125 10 5 EGBERN Cc1csc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000075092226 453858968 /nfs/dbraw/zinc/85/89/68/453858968.db2.gz MCZAWWMIQKXZID-UHFFFAOYSA-N 0 0 327.749 3.031 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066709322 453865194 /nfs/dbraw/zinc/86/51/94/453865194.db2.gz FVJPGMIPVNENJX-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN CCOc1cc2c(cc1OCC)CN(c1ccncc1[N+](=O)[O-])CC2 ZINC000066797006 453874501 /nfs/dbraw/zinc/87/45/01/453874501.db2.gz DQHKGBHJNSNYHI-UHFFFAOYSA-N 0 0 343.383 3.350 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000066810794 453875822 /nfs/dbraw/zinc/87/58/22/453875822.db2.gz NWLXZPADFSILKI-NSHDSACASA-N 0 0 334.326 3.206 10 5 EGBERN Cc1c(Cl)cccc1NC(=O)CCNc1ccncc1[N+](=O)[O-] ZINC000066811836 453876426 /nfs/dbraw/zinc/87/64/26/453876426.db2.gz LEUHVUMOTIKACT-UHFFFAOYSA-N 0 0 334.763 3.392 10 5 EGBERN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2[N+](=O)[O-])cc1C ZINC000053867267 453899917 /nfs/dbraw/zinc/89/99/17/453899917.db2.gz RMIBGSFMCUOFEK-UHFFFAOYSA-N 0 0 340.379 3.491 10 5 EGBERN Cc1ccccc1[C@@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000054066356 453909162 /nfs/dbraw/zinc/90/91/62/453909162.db2.gz NCTROFSHCGRHRI-CQSZACIVSA-N 0 0 342.399 3.376 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000083013579 453933119 /nfs/dbraw/zinc/93/31/19/453933119.db2.gz LODFONYAZRSKNX-UHFFFAOYSA-N 0 0 331.397 3.202 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067661742 453954073 /nfs/dbraw/zinc/95/40/73/453954073.db2.gz DORIAWRUIAYHDJ-ZIAGYGMSSA-N 0 0 345.330 3.420 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000067753728 453963214 /nfs/dbraw/zinc/96/32/14/453963214.db2.gz SWLJVYNZZZJMHB-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN Cc1csc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000067861819 453973389 /nfs/dbraw/zinc/97/33/89/453973389.db2.gz KVJKPEQEFXTKCM-NSHDSACASA-N 0 0 334.401 3.039 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000067864519 453974343 /nfs/dbraw/zinc/97/43/43/453974343.db2.gz SQPZQLRCDGTOBJ-JTQLQIEISA-N 0 0 346.412 3.425 10 5 EGBERN Cc1nnc2ccc(C(=O)O[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn12 ZINC000084190196 453976450 /nfs/dbraw/zinc/97/64/50/453976450.db2.gz OFGOCBOKADKSJR-LLVKDONJSA-N 0 0 340.339 3.172 10 5 EGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000084651770 454003632 /nfs/dbraw/zinc/00/36/32/454003632.db2.gz NVSXEXYRDBVBNI-VIFPVBQESA-N 0 0 330.369 3.412 10 5 EGBERN O=C(N[C@@H]1CCc2c1cccc2F)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055692473 454007014 /nfs/dbraw/zinc/00/70/14/454007014.db2.gz QUJKNAOOBQOOGF-CQSZACIVSA-N 0 0 340.314 3.028 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000085333757 454023391 /nfs/dbraw/zinc/02/33/91/454023391.db2.gz ZUNSAGADMKKBJY-LBPRGKRZSA-N 0 0 339.417 3.481 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000086015068 454041444 /nfs/dbraw/zinc/04/14/44/454041444.db2.gz MGLPLKIZMRPYKK-RNCFNFMXSA-N 0 0 329.194 3.320 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000056227973 454045038 /nfs/dbraw/zinc/04/50/38/454045038.db2.gz HSXDBSBKZPOZTQ-UHFFFAOYSA-N 0 0 345.374 3.115 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087024141 454057359 /nfs/dbraw/zinc/05/73/59/454057359.db2.gz HYSMJWADNHPDAW-UHFFFAOYSA-N 0 0 342.351 3.343 10 5 EGBERN CSCCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000077277969 454084165 /nfs/dbraw/zinc/08/41/65/454084165.db2.gz NBJJAZIMFPNCCR-UHFFFAOYSA-N 0 0 349.359 3.461 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000077294567 454087177 /nfs/dbraw/zinc/08/71/77/454087177.db2.gz JBFXPHJSSMJQQI-OAHLLOKOSA-N 0 0 342.351 3.084 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069582055 454121207 /nfs/dbraw/zinc/12/12/07/454121207.db2.gz ACDOYJBTRBKMFX-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN CC(=O)[C@@H](C)CCCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420967 454147501 /nfs/dbraw/zinc/14/75/01/454147501.db2.gz ZJQIAAHBWGVMDB-JTQLQIEISA-N 0 0 332.360 3.195 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000045457774 454161133 /nfs/dbraw/zinc/16/11/33/454161133.db2.gz FXBZDEQFRSYPNB-SNVBAGLBSA-N 0 0 335.310 3.410 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000058177860 454168549 /nfs/dbraw/zinc/16/85/49/454168549.db2.gz FMHLXRTYWAISDA-MRXNPFEDSA-N 0 0 345.305 3.470 10 5 EGBERN COc1cc(CNc2ccc3nc(C)oc3c2)c([N+](=O)[O-])cc1O ZINC000089729876 454184768 /nfs/dbraw/zinc/18/47/68/454184768.db2.gz PBEWRKQRFOHVQI-UHFFFAOYSA-N 0 0 329.312 3.371 10 5 EGBERN O=c1c([N+](=O)[O-])c(Sc2ccc(F)c(F)c2)nc2ccccn12 ZINC000045853726 454189730 /nfs/dbraw/zinc/18/97/30/454189730.db2.gz DDCZXSVGDIDDJI-UHFFFAOYSA-N 0 0 335.291 3.032 10 5 EGBERN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149082 454200943 /nfs/dbraw/zinc/20/09/43/454200943.db2.gz JRPYKJMXUAOOMX-INIZCTEOSA-N 0 0 344.754 3.141 10 5 EGBERN COc1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000095437437 454213092 /nfs/dbraw/zinc/21/30/92/454213092.db2.gz PKQGMKQLASXLAA-UHFFFAOYSA-N 0 0 325.328 3.001 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)c2ccoc2)CC1 ZINC000095995284 454256538 /nfs/dbraw/zinc/25/65/38/454256538.db2.gz QOPHQPQGWRMRRN-CQSZACIVSA-N 0 0 343.383 3.015 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2c1C ZINC000078470035 454257995 /nfs/dbraw/zinc/25/79/95/454257995.db2.gz SCOWJYLJGJDPAV-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN CCn1nc(C(=O)N2CCCC2)c(C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203722 454304343 /nfs/dbraw/zinc/30/43/43/454304343.db2.gz DOKCCXHWEVPMBY-UHFFFAOYSA-N 0 0 344.371 3.148 10 5 EGBERN CC[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466218 454308937 /nfs/dbraw/zinc/30/89/37/454308937.db2.gz LUEJQBZLELBKMW-FYSMJZIKSA-N 0 0 346.408 3.213 10 5 EGBERN COC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000072554314 454309416 /nfs/dbraw/zinc/30/94/16/454309416.db2.gz WBHOYBXILFVNFI-HNNXBMFYSA-N 0 0 332.331 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000060921979 454319319 /nfs/dbraw/zinc/31/93/19/454319319.db2.gz JGKMUPCNNLEBNA-AWEZNQCLSA-N 0 0 340.445 3.493 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090615986 454328800 /nfs/dbraw/zinc/32/88/00/454328800.db2.gz KDZVTJAVNYWRLM-ZBEGNZNMSA-N 0 0 345.403 3.008 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090688082 454336707 /nfs/dbraw/zinc/33/67/07/454336707.db2.gz MFUSGYJDPHVYHQ-XIRDDKMYSA-N 0 0 347.415 3.256 10 5 EGBERN CCN(Cc1csc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000047265347 454349029 /nfs/dbraw/zinc/34/90/29/454349029.db2.gz KLFLKRUGBUPQLY-ZDUSSCGKSA-N 0 0 334.397 3.318 10 5 EGBERN Cc1cccc(NC(=O)CN(C)Cc2csc([N+](=O)[O-])c2)c1C ZINC000047265803 454349984 /nfs/dbraw/zinc/34/99/84/454349984.db2.gz VPFPFDQCLLEWJT-UHFFFAOYSA-N 0 0 333.413 3.344 10 5 EGBERN COc1ccccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600892574 460632094 /nfs/dbraw/zinc/63/20/94/460632094.db2.gz UPZPLPPTTBFYLB-UHFFFAOYSA-N 0 0 340.379 3.342 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCCc2ccccc21 ZINC000047355223 454362960 /nfs/dbraw/zinc/36/29/60/454362960.db2.gz YODXSOXKTJHHKP-INIZCTEOSA-N 0 0 344.342 3.307 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCCc2ccccc21 ZINC000047355224 454363020 /nfs/dbraw/zinc/36/30/20/454363020.db2.gz YODXSOXKTJHHKP-MRXNPFEDSA-N 0 0 344.342 3.307 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cccc1C ZINC000079071871 454364004 /nfs/dbraw/zinc/36/40/04/454364004.db2.gz MZYHFTXFKLTMHS-UHFFFAOYSA-N 0 0 344.367 3.376 10 5 EGBERN CCC[C@H](C)[C@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133156809 454397390 /nfs/dbraw/zinc/39/73/90/454397390.db2.gz WUEFMMXMFDHOEA-QWHCGFSZSA-N 0 0 330.388 3.008 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612488126 460640005 /nfs/dbraw/zinc/64/00/05/460640005.db2.gz YVHOZVBBBSCYFB-KOLCDFICSA-N 0 0 346.305 3.068 10 5 EGBERN CCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000063719167 454440222 /nfs/dbraw/zinc/44/02/22/454440222.db2.gz JZAWRRYNSVDUKN-UHFFFAOYSA-N 0 0 335.385 3.079 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134112050 454504787 /nfs/dbraw/zinc/50/47/87/454504787.db2.gz BGJYDVNQIOCFJD-DLBZAZTESA-N 0 0 346.427 3.334 10 5 EGBERN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc([N+](=O)[O-])o1 ZINC000102626360 454512683 /nfs/dbraw/zinc/51/26/83/454512683.db2.gz FWJJATLOBYBEGD-UHFFFAOYSA-N 0 0 339.311 3.103 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000074415128 454576237 /nfs/dbraw/zinc/57/62/37/454576237.db2.gz LRNFOCIXOZSBOX-VIFPVBQESA-N 0 0 336.369 3.165 10 5 EGBERN CCOc1cc(NCc2cc(=O)[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000092657321 454602694 /nfs/dbraw/zinc/60/26/94/454602694.db2.gz WURCGXSEVNDOKR-UHFFFAOYSA-N 0 0 339.351 3.447 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](CO)c2ccc(Cl)cc2)nc2sccn21 ZINC000092961064 454659696 /nfs/dbraw/zinc/65/96/96/454659696.db2.gz VTYQJXALVQXPRK-JTQLQIEISA-N 0 0 338.776 3.103 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066333701 454686033 /nfs/dbraw/zinc/68/60/33/454686033.db2.gz FYIPSWUUCFFCFR-SNVBAGLBSA-N 0 0 326.399 3.004 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1c(C)nn(C)c1C ZINC000081259451 454699478 /nfs/dbraw/zinc/69/94/78/454699478.db2.gz HIWMWIWJIYJVLO-OAHLLOKOSA-N 0 0 330.388 3.135 10 5 EGBERN O=c1c([N+](=O)[O-])cccn1CCOc1c(Cl)cccc1Cl ZINC000161683523 454714027 /nfs/dbraw/zinc/71/40/27/454714027.db2.gz QHYDIMCYPKGFHW-UHFFFAOYSA-N 0 0 329.139 3.142 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000161807777 454725417 /nfs/dbraw/zinc/72/54/17/454725417.db2.gz WDUYSPHGCHDFJQ-UHFFFAOYSA-N 0 0 339.273 3.376 10 5 EGBERN Cc1cc(NC(=O)CCOCC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000161826824 454728095 /nfs/dbraw/zinc/72/80/95/454728095.db2.gz BKXYVROWEPIHKM-UHFFFAOYSA-N 0 0 331.372 3.453 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000107118033 454742675 /nfs/dbraw/zinc/74/26/75/454742675.db2.gz DGMBFFJZZNLLLK-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN CS(=O)(=O)c1cc(NC2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000124601264 454752326 /nfs/dbraw/zinc/75/23/26/454752326.db2.gz PGLQXQZDCVQNKY-UHFFFAOYSA-N 0 0 346.408 3.356 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)Oc2ccccc21 ZINC000124754039 454767523 /nfs/dbraw/zinc/76/75/23/454767523.db2.gz YMTBCLLQLXICQD-UHFFFAOYSA-N 0 0 327.340 3.116 10 5 EGBERN CCOC1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176684759 454771356 /nfs/dbraw/zinc/77/13/56/454771356.db2.gz KYVFTKRBHVIXPW-MRXNPFEDSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@H](NC(=O)NCCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000176702084 454773055 /nfs/dbraw/zinc/77/30/55/454773055.db2.gz FTTOUKHHPBNXMD-INIZCTEOSA-N 0 0 343.383 3.293 10 5 EGBERN Cc1cc(C)cc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000153424637 454792775 /nfs/dbraw/zinc/79/27/75/454792775.db2.gz YAJZLISLZNUVAD-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)O1 ZINC000153485110 454798819 /nfs/dbraw/zinc/79/88/19/454798819.db2.gz QKXUESLJBAEXNN-NOZJJQNGSA-N 0 0 333.369 3.224 10 5 EGBERN COc1cccc2c1CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000153624522 454813871 /nfs/dbraw/zinc/81/38/71/454813871.db2.gz CJRKGJDEVYVLKF-LBPRGKRZSA-N 0 0 332.381 3.391 10 5 EGBERN O=C(Nc1cccc(CO)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600946698 460655545 /nfs/dbraw/zinc/65/55/45/460655545.db2.gz WIACNEMJQXFDIK-UHFFFAOYSA-N 0 0 326.352 3.148 10 5 EGBERN Cc1cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000153778627 454832063 /nfs/dbraw/zinc/83/20/63/454832063.db2.gz JEHBJCTZTMBKJY-UHFFFAOYSA-N 0 0 338.327 3.332 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000163232360 454833333 /nfs/dbraw/zinc/83/33/33/454833333.db2.gz LJMVMAVPRVFMHD-XJKSGUPXSA-N 0 0 335.404 3.356 10 5 EGBERN CCOc1cc([C@@H](O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000148937920 454873516 /nfs/dbraw/zinc/87/35/16/454873516.db2.gz GIWYKKFRRKUQJX-KRWDZBQOSA-N 0 0 333.340 3.092 10 5 EGBERN CSCCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000126179393 454876428 /nfs/dbraw/zinc/87/64/28/454876428.db2.gz DVHFZTMHUKMACR-UHFFFAOYSA-N 0 0 337.445 3.068 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000165694776 454902490 /nfs/dbraw/zinc/90/24/90/454902490.db2.gz JJZOQXOPYJBOGN-ABAIWWIYSA-N 0 0 327.340 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000154691704 454919949 /nfs/dbraw/zinc/91/99/49/454919949.db2.gz VTCUAXFJFPBOPB-BBRMVZONSA-N 0 0 335.404 3.356 10 5 EGBERN CC(C)(C)OC(=O)NC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000167691441 454923278 /nfs/dbraw/zinc/92/32/78/454923278.db2.gz LBWBATBWRBCKRO-UHFFFAOYSA-N 0 0 339.367 3.227 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000170622610 454943754 /nfs/dbraw/zinc/94/37/54/454943754.db2.gz VCHZJEQXNBMIHB-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2cc(Cl)ccc2Cl)c1=O ZINC000127194662 454944547 /nfs/dbraw/zinc/94/45/47/454944547.db2.gz GMLFRMSMSIKBFJ-UHFFFAOYSA-N 0 0 343.166 3.451 10 5 EGBERN CC[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000114304630 454950377 /nfs/dbraw/zinc/95/03/77/454950377.db2.gz ABRUVZRNLHWMII-QGZVFWFLSA-N 0 0 325.368 3.448 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151189365 454950720 /nfs/dbraw/zinc/95/07/20/454950720.db2.gz NQXKJBKTBRAXOT-MLGOLLRUSA-N 0 0 338.791 3.015 10 5 EGBERN CC[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151373686 454976524 /nfs/dbraw/zinc/97/65/24/454976524.db2.gz TXPSQFNECUMXRX-HNNXBMFYSA-N 0 0 348.424 3.208 10 5 EGBERN COCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000170971746 455008490 /nfs/dbraw/zinc/00/84/90/455008490.db2.gz AIDKTCSPEHJLEP-UHFFFAOYSA-N 0 0 332.331 3.119 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)n1 ZINC000191618155 455505006 /nfs/dbraw/zinc/50/50/06/455505006.db2.gz APWXLMWIWREZJT-UHFFFAOYSA-N 0 0 346.362 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171250545 455051536 /nfs/dbraw/zinc/05/15/36/455051536.db2.gz RCZAUAKDBFOATP-UHFFFAOYSA-N 0 0 339.351 3.430 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000179779743 455078000 /nfs/dbraw/zinc/07/80/00/455078000.db2.gz IFSYOSUQELWVNI-INIZCTEOSA-N 0 0 342.395 3.026 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152217650 455088057 /nfs/dbraw/zinc/08/80/57/455088057.db2.gz ZLDNMQUSPNGSHU-NSHDSACASA-N 0 0 339.351 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000156218620 455094851 /nfs/dbraw/zinc/09/48/51/455094851.db2.gz MGZYOKMKUGNVCN-CYBMUJFWSA-N 0 0 328.368 3.360 10 5 EGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000129101705 455097237 /nfs/dbraw/zinc/09/72/37/455097237.db2.gz HZJVNYGBVMABFT-CYBMUJFWSA-N 0 0 327.384 3.310 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000172058648 455114874 /nfs/dbraw/zinc/11/48/74/455114874.db2.gz GZWVNAKJKMMLOA-CQSZACIVSA-N 0 0 326.352 3.167 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000152576711 455138372 /nfs/dbraw/zinc/13/83/72/455138372.db2.gz MRTADDOTVHJCCA-UKRRQHHQSA-N 0 0 332.306 3.293 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183329198 455277673 /nfs/dbraw/zinc/27/76/73/455277673.db2.gz HHYPKFVXIKRDGD-IBGZPJMESA-N 0 0 342.395 3.485 10 5 EGBERN COc1cc(C)c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000158227246 455281616 /nfs/dbraw/zinc/28/16/16/455281616.db2.gz MCZRMVGIYVASFX-UHFFFAOYSA-N 0 0 330.340 3.197 10 5 EGBERN CCC(CC)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000183405723 455289177 /nfs/dbraw/zinc/28/91/77/455289177.db2.gz HPVHGZCFFOMDJG-CZUORRHYSA-N 0 0 335.404 3.012 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000190418535 455312294 /nfs/dbraw/zinc/31/22/94/455312294.db2.gz DCWSLZBQIZRDDS-RNCFNFMXSA-N 0 0 327.768 3.137 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183628893 455314099 /nfs/dbraw/zinc/31/40/99/455314099.db2.gz MKUZGGDJMCWGKB-MRXNPFEDSA-N 0 0 339.395 3.336 10 5 EGBERN Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000174519532 455400554 /nfs/dbraw/zinc/40/05/54/455400554.db2.gz JQGRPQRIWASVOX-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN Cc1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000160114974 455429202 /nfs/dbraw/zinc/42/92/02/455429202.db2.gz MVFGBIUJKRHKIP-UHFFFAOYSA-N 0 0 332.747 3.476 10 5 EGBERN Cn1ccnc1CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182144567 455445598 /nfs/dbraw/zinc/44/55/98/455445598.db2.gz INIXBVZIWOWLOC-UHFFFAOYSA-N 0 0 348.834 3.436 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000175604008 455470427 /nfs/dbraw/zinc/47/04/27/455470427.db2.gz TVHQVLDPUZVXLZ-UHFFFAOYSA-N 0 0 346.427 3.335 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)c2ccccc2)n1 ZINC000191469445 455487283 /nfs/dbraw/zinc/48/72/83/455487283.db2.gz YVHIIUZBUALWJV-CQSZACIVSA-N 0 0 330.388 3.328 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000191560178 455496758 /nfs/dbraw/zinc/49/67/58/455496758.db2.gz HSPPJIYUCCZYGH-OAHLLOKOSA-N 0 0 340.383 3.103 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2cc(C)ccc2C)C(C)C)n1 ZINC000191591199 455500896 /nfs/dbraw/zinc/50/08/96/455500896.db2.gz FDBGNCMAGUHSQR-UHFFFAOYSA-N 0 0 330.388 3.483 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)n1 ZINC000191627830 455505641 /nfs/dbraw/zinc/50/56/41/455505641.db2.gz XMGODSVGIVOGBL-ZDUSSCGKSA-N 0 0 346.387 3.470 10 5 EGBERN CC[C@@H](CSc1ccccc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191685316 455509404 /nfs/dbraw/zinc/50/94/04/455509404.db2.gz NQPXRFBEYBLAKN-LBPRGKRZSA-N 0 0 348.428 3.112 10 5 EGBERN C[C@H](CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000182489896 455523973 /nfs/dbraw/zinc/52/39/73/455523973.db2.gz SRYQPQZRMMCIRI-SNVBAGLBSA-N 0 0 344.396 3.408 10 5 EGBERN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185488430 455565640 /nfs/dbraw/zinc/56/56/40/455565640.db2.gz SMHVVQNWEPMDGX-LBPRGKRZSA-N 0 0 341.346 3.165 10 5 EGBERN COc1cc(NC[C@](C)(O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000268143973 455601876 /nfs/dbraw/zinc/60/18/76/455601876.db2.gz CVATUDDPKNXGRX-AWEZNQCLSA-N 0 0 326.349 3.124 10 5 EGBERN CO[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)C ZINC000277624419 455616976 /nfs/dbraw/zinc/61/69/76/455616976.db2.gz ARWBQNJKHDNWEW-KRWDZBQOSA-N 0 0 338.407 3.494 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-] ZINC000185889535 455644232 /nfs/dbraw/zinc/64/42/32/455644232.db2.gz ULJYTKFPHWKJLA-UHFFFAOYSA-N 0 0 346.368 3.194 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2ccccc2)n1 ZINC000271476368 455651720 /nfs/dbraw/zinc/65/17/20/455651720.db2.gz ZNKOXIJKXFEPRN-AWEZNQCLSA-N 0 0 328.372 3.086 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000192806323 455697757 /nfs/dbraw/zinc/69/77/57/455697757.db2.gz STENICHNRPADMT-GFCCVEGCSA-N 0 0 347.371 3.184 10 5 EGBERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284761611 455736759 /nfs/dbraw/zinc/73/67/59/455736759.db2.gz YLGGJGNGZCZSPB-XCRHUMRWSA-N 0 0 344.415 3.381 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCOC1 ZINC000278094305 455755318 /nfs/dbraw/zinc/75/53/18/455755318.db2.gz YRLDMIRYIPAKCR-LLVKDONJSA-N 0 0 326.780 3.055 10 5 EGBERN CCC[C@@H](CCO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278279065 455805380 /nfs/dbraw/zinc/80/53/80/455805380.db2.gz BBILBYSZWGKVHS-NSHDSACASA-N 0 0 328.796 3.085 10 5 EGBERN Cc1cccc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000279472292 455865605 /nfs/dbraw/zinc/86/56/05/455865605.db2.gz QVFVDNXNUDDWEA-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN COc1ccccc1CN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255588428 455869957 /nfs/dbraw/zinc/86/99/57/455869957.db2.gz AMRIGYCZZDDZGV-TWGQIWQCSA-N 0 0 342.395 3.111 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000601072874 460700058 /nfs/dbraw/zinc/70/00/58/460700058.db2.gz WECYODFKNOQMIJ-AOOOYVTPSA-N 0 0 332.278 3.306 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187393894 455904522 /nfs/dbraw/zinc/90/45/22/455904522.db2.gz BEODHCHRQOIGTK-UHFFFAOYSA-N 0 0 337.379 3.352 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccc(F)cc2)C2CCCC2)n1 ZINC000272402455 455939643 /nfs/dbraw/zinc/93/96/43/455939643.db2.gz KCLLXIZZDDUNET-UHFFFAOYSA-N 0 0 332.335 3.057 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296454330 455943452 /nfs/dbraw/zinc/94/34/52/455943452.db2.gz LWDZRQLNFZBBGT-NSHDSACASA-N 0 0 346.387 3.322 10 5 EGBERN Cc1csc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384958 455954631 /nfs/dbraw/zinc/95/46/31/455954631.db2.gz AHMQOFKYDNMVNE-HNNXBMFYSA-N 0 0 333.413 3.242 10 5 EGBERN C[C@@H](Cc1cccs1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195493699 455969140 /nfs/dbraw/zinc/96/91/40/455969140.db2.gz UTIBTOHAHRPPIR-JTQLQIEISA-N 0 0 329.381 3.499 10 5 EGBERN COCC[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272498810 455971707 /nfs/dbraw/zinc/97/17/07/455971707.db2.gz HIZHZKQOFVZQQY-JSGCOSHPSA-N 0 0 347.371 3.326 10 5 EGBERN Cc1nc(SCCOc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1C1CC1 ZINC000601087839 460705414 /nfs/dbraw/zinc/70/54/14/460705414.db2.gz IZBPASIJOFQLBN-UHFFFAOYSA-N 0 0 347.396 3.447 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188190766 456017929 /nfs/dbraw/zinc/01/79/29/456017929.db2.gz WLXXFVYXWJZMJW-INIZCTEOSA-N 0 0 349.431 3.472 10 5 EGBERN COc1cc(Nc2ncc(F)cc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000601101410 460711263 /nfs/dbraw/zinc/71/12/63/460711263.db2.gz MUBQBTLVMDUYHP-UHFFFAOYSA-N 0 0 346.318 3.008 10 5 EGBERN Cc1cccnc1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000296827138 456047818 /nfs/dbraw/zinc/04/78/18/456047818.db2.gz CVAUCCGQAKFSRJ-UHFFFAOYSA-N 0 0 327.384 3.196 10 5 EGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000296967240 456077852 /nfs/dbraw/zinc/07/78/52/456077852.db2.gz PSSBLCSBHBIMSS-YUMQZZPRSA-N 0 0 349.284 3.119 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301303135 456086158 /nfs/dbraw/zinc/08/61/58/456086158.db2.gz WKDNFRYFTUGRAP-NEPJUHHUSA-N 0 0 337.445 3.063 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000301311122 456087123 /nfs/dbraw/zinc/08/71/23/456087123.db2.gz FWKZOMMBANRAPD-AWEZNQCLSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1ccc(C[C@H](C)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301340397 456094229 /nfs/dbraw/zinc/09/42/29/456094229.db2.gz PXISFAXTAWQWRG-VIFPVBQESA-N 0 0 347.396 3.339 10 5 EGBERN Cc1nc(N2CCC[C@](O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000225649523 456101554 /nfs/dbraw/zinc/10/15/54/456101554.db2.gz TUNFXMWALUOBRN-GOSISDBHSA-N 0 0 327.384 3.176 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000301465799 456121746 /nfs/dbraw/zinc/12/17/46/456121746.db2.gz LOUIYPZJQPDNJT-LBPRGKRZSA-N 0 0 333.348 3.417 10 5 EGBERN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271111212 456129417 /nfs/dbraw/zinc/12/94/17/456129417.db2.gz IWPJNLHUYOUXDF-BZNIZROVSA-N 0 0 345.399 3.400 10 5 EGBERN CCS[C@H]1CC[C@]1(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301504218 456131633 /nfs/dbraw/zinc/13/16/33/456131633.db2.gz YXWHXEDSFVNDNV-HOCLYGCPSA-N 0 0 333.413 3.202 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000601113968 460716281 /nfs/dbraw/zinc/71/62/81/460716281.db2.gz KVHROEXBRMPUMS-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN CC(C)Cn1ccnc1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601119699 460717252 /nfs/dbraw/zinc/71/72/52/460717252.db2.gz VQZDDRIETNOHPA-UHFFFAOYSA-N 0 0 325.372 3.030 10 5 EGBERN Cc1cc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000301870013 456237119 /nfs/dbraw/zinc/23/71/19/456237119.db2.gz FIUFHNCHQSBWHZ-INIZCTEOSA-N 0 0 331.347 3.324 10 5 EGBERN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@H]1c1ccccc1 ZINC000301963429 456260725 /nfs/dbraw/zinc/26/07/25/456260725.db2.gz JBJINTSQSOXQTI-DZGCQCFKSA-N 0 0 337.383 3.268 10 5 EGBERN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@@H]1c1ccccc1 ZINC000301963430 456261181 /nfs/dbraw/zinc/26/11/81/456261181.db2.gz JBJINTSQSOXQTI-HIFRSBDPSA-N 0 0 337.383 3.268 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCC1([C@H](O)c2ccccc2)CC1 ZINC000302016525 456269355 /nfs/dbraw/zinc/26/93/55/456269355.db2.gz CIXGMECYFVTYLK-QGZVFWFLSA-N 0 0 328.368 3.013 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1[N+](=O)[O-] ZINC000281584754 456270377 /nfs/dbraw/zinc/27/03/77/456270377.db2.gz QMJZDKZZQOWPRU-GXTWGEPZSA-N 0 0 343.383 3.046 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](c1cccnc1)C1CC1 ZINC000601134440 460725189 /nfs/dbraw/zinc/72/51/89/460725189.db2.gz CRVPVFFXGXJOGZ-JTQLQIEISA-N 0 0 341.293 3.305 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1C ZINC000337036838 456322561 /nfs/dbraw/zinc/32/25/61/456322561.db2.gz HXNQQZCCGSRLCK-LBPRGKRZSA-N 0 0 348.371 3.020 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000342946115 456331745 /nfs/dbraw/zinc/33/17/45/456331745.db2.gz JWZYATXBYPCTRK-UHFFFAOYSA-N 0 0 327.262 3.148 10 5 EGBERN CC1(C)CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000302477795 456346092 /nfs/dbraw/zinc/34/60/92/456346092.db2.gz XAQBKQHFJAFIIM-AWEZNQCLSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281923235 456361914 /nfs/dbraw/zinc/36/19/14/456361914.db2.gz JXPXVZCFIIZANW-INIZCTEOSA-N 0 0 343.387 3.396 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000281949658 456371094 /nfs/dbraw/zinc/37/10/94/456371094.db2.gz INUOHLCBBAIOBW-TUQDCPSNSA-N 0 0 344.411 3.464 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC000290589149 456376063 /nfs/dbraw/zinc/37/60/63/456376063.db2.gz XWABROZWDALHQE-IUODEOHRSA-N 0 0 327.388 3.159 10 5 EGBERN C[C@H](C1CC1)n1cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cn1 ZINC000601147828 460731061 /nfs/dbraw/zinc/73/10/61/460731061.db2.gz XVWHBSKFGMNEAT-SSDOTTSWSA-N 0 0 344.297 3.258 10 5 EGBERN COC(=O)c1cnc(Sc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302770404 456394834 /nfs/dbraw/zinc/39/48/34/456394834.db2.gz MSDSGXFUKONMSE-UHFFFAOYSA-N 0 0 326.280 3.206 10 5 EGBERN COC(=O)c1cnc(N[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302771858 456395624 /nfs/dbraw/zinc/39/56/24/456395624.db2.gz NFRWMVJVPGBERC-MRVPVSSYSA-N 0 0 337.282 3.228 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347840583 456398276 /nfs/dbraw/zinc/39/82/76/456398276.db2.gz DMHKWBAAIHVVPV-SCZZXKLOSA-N 0 0 332.278 3.016 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000352900249 456400230 /nfs/dbraw/zinc/40/02/30/456400230.db2.gz JNJMDIUGKLXXFS-ZDUSSCGKSA-N 0 0 343.383 3.034 10 5 EGBERN O=C(NC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000302821875 456410221 /nfs/dbraw/zinc/41/02/21/456410221.db2.gz RHKNMFLXWFSRQJ-UHFFFAOYSA-N 0 0 349.387 3.194 10 5 EGBERN CN(CCc1ccc(Cl)cc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352923751 456415329 /nfs/dbraw/zinc/41/53/29/456415329.db2.gz WTZLNSMKJPIFMD-UHFFFAOYSA-N 0 0 334.759 3.269 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1cccnc1)C1CC1 ZINC000340398198 456437677 /nfs/dbraw/zinc/43/76/77/456437677.db2.gz WXELLRAMJVWSGW-QGZVFWFLSA-N 0 0 345.786 3.453 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000343226339 456465958 /nfs/dbraw/zinc/46/59/58/456465958.db2.gz QNOCSMQPGMQEJK-AWEZNQCLSA-N 0 0 336.342 3.395 10 5 EGBERN O=C(N[C@@H]1CCCC12CCOCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000282294840 456468034 /nfs/dbraw/zinc/46/80/34/456468034.db2.gz AZGVFVJEBZJLEA-MRXNPFEDSA-N 0 0 343.383 3.155 10 5 EGBERN COC(=O)/C=C\c1ccc(Nc2cc(C3CC3)n(C)n2)c([N+](=O)[O-])c1 ZINC000290947809 456476208 /nfs/dbraw/zinc/47/62/08/456476208.db2.gz CLCSKWBMAKBLME-YWEYNIOJSA-N 0 0 342.355 3.136 10 5 EGBERN Cc1cc(C(=O)N2CCC=C(Br)C2)cc([N+](=O)[O-])c1 ZINC000282426849 456510099 /nfs/dbraw/zinc/51/00/99/456510099.db2.gz YNQRJGOKIBNICA-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000337800720 456555284 /nfs/dbraw/zinc/55/52/84/456555284.db2.gz IAJJWZFQVGNWQA-LJQANCHMSA-N 0 0 342.395 3.134 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250604 456570581 /nfs/dbraw/zinc/57/05/81/456570581.db2.gz UFDPOLKTATUVRG-ZANVPECISA-N 0 0 346.305 3.234 10 5 EGBERN CO[C@H]1CCCC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000340611831 456571336 /nfs/dbraw/zinc/57/13/36/456571336.db2.gz DDLIRAXBZBJGSN-WFASDCNBSA-N 0 0 346.387 3.305 10 5 EGBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000298985284 456581294 /nfs/dbraw/zinc/58/12/94/456581294.db2.gz JWFZGDCWWBHEPD-CYBMUJFWSA-N 0 0 334.397 3.285 10 5 EGBERN CN(Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000337891207 456590228 /nfs/dbraw/zinc/59/02/28/456590228.db2.gz ACSIUZZYYVQVJD-UHFFFAOYSA-N 0 0 341.346 3.166 10 5 EGBERN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337971481 456630079 /nfs/dbraw/zinc/63/00/79/456630079.db2.gz MOBCNKQPRYXNBE-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN COc1ccc(C[NH2+]CC2(CC(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000276971685 456637137 /nfs/dbraw/zinc/63/71/37/456637137.db2.gz HBTQDVUNVTTXGE-UHFFFAOYSA-N 0 0 336.388 3.118 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000324434283 456667290 /nfs/dbraw/zinc/66/72/90/456667290.db2.gz CWWMCSMKRREGHZ-QWHCGFSZSA-N 0 0 329.404 3.325 10 5 EGBERN CCOC(=O)c1sc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)nc1C ZINC000348498338 456717043 /nfs/dbraw/zinc/71/70/43/456717043.db2.gz SZUNKKNZPWTDKA-LLVKDONJSA-N 0 0 349.412 3.387 10 5 EGBERN CN(c1nc(CN2CCc3c2cccc3[N+](=O)[O-])cs1)C1CC1 ZINC000353544606 456746134 /nfs/dbraw/zinc/74/61/34/456746134.db2.gz CRKWIRSJFVRHHG-UHFFFAOYSA-N 0 0 330.413 3.213 10 5 EGBERN CSc1cccc(F)c1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343619806 456749210 /nfs/dbraw/zinc/74/92/10/456749210.db2.gz ZZMWNBVKAMODHZ-UHFFFAOYSA-N 0 0 347.371 3.049 10 5 EGBERN C[C@@H]1COCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000277335306 456782716 /nfs/dbraw/zinc/78/27/16/456782716.db2.gz FCPAJMRSFCKRNU-LDYMZIIASA-N 0 0 347.293 3.160 10 5 EGBERN Cn1ccnc1[C@H](N[C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610618 456801960 /nfs/dbraw/zinc/80/19/60/456801960.db2.gz XEQLTWPTTGYPHU-JKSUJKDBSA-N 0 0 326.400 3.340 10 5 EGBERN CCc1cc(N(C)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301165353 456812280 /nfs/dbraw/zinc/81/22/80/456812280.db2.gz ILPQJJLLKBWGQW-INIZCTEOSA-N 0 0 342.399 3.229 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000301171496 456813118 /nfs/dbraw/zinc/81/31/18/456813118.db2.gz DSMGYBQAERXFAD-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](c2ccccc2)O1 ZINC000348741352 456836044 /nfs/dbraw/zinc/83/60/44/456836044.db2.gz HMPUGVDAFVTHFW-IAQYHMDHSA-N 0 0 331.347 3.283 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000341309075 456840937 /nfs/dbraw/zinc/84/09/37/456840937.db2.gz UPTDPANOTMZFTE-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000341321078 456845618 /nfs/dbraw/zinc/84/56/18/456845618.db2.gz NEEUONUYECBASR-UHFFFAOYSA-N 0 0 346.290 3.112 10 5 EGBERN COc1cc(C(=O)N2Cc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000341327475 456849314 /nfs/dbraw/zinc/84/93/14/456849314.db2.gz HFGZFVLUDWFBSK-LLVKDONJSA-N 0 0 342.351 3.329 10 5 EGBERN C[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000341330402 456851093 /nfs/dbraw/zinc/85/10/93/456851093.db2.gz XHFOEWUEZJRNCQ-LLVKDONJSA-N 0 0 342.326 3.387 10 5 EGBERN Cc1cc(NC(=O)N[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000353736741 456880367 /nfs/dbraw/zinc/88/03/67/456880367.db2.gz FRXUXWWKIVBKQV-OAHLLOKOSA-N 0 0 329.356 3.148 10 5 EGBERN CCN(Cc1cccs1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000341745168 456925324 /nfs/dbraw/zinc/92/53/24/456925324.db2.gz QDZLUUREZPZKAL-UHFFFAOYSA-N 0 0 335.385 3.173 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)c2ccsc2)c1 ZINC000339093188 456937352 /nfs/dbraw/zinc/93/73/52/456937352.db2.gz BCGKHRYSPYBNFK-CYBMUJFWSA-N 0 0 346.330 3.498 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356465854 457003807 /nfs/dbraw/zinc/00/38/07/457003807.db2.gz AUMONNIMLFTCFU-AEFFLSMTSA-N 0 0 326.352 3.063 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356469282 457005091 /nfs/dbraw/zinc/00/50/91/457005091.db2.gz DTRSUIHEAQBJKB-WMZOPIPTSA-N 0 0 344.342 3.203 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3[nH]c(C)nc3c2)c1 ZINC000358851565 457006475 /nfs/dbraw/zinc/00/64/75/457006475.db2.gz COQJJJHGYYVCEI-UHFFFAOYSA-N 0 0 341.323 3.145 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358879752 457020397 /nfs/dbraw/zinc/02/03/97/457020397.db2.gz CQGFPJJJOLQRSX-CHWSQXEVSA-N 0 0 348.305 3.482 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CCCC3)nc2)n1 ZINC000359087770 457052427 /nfs/dbraw/zinc/05/24/27/457052427.db2.gz YBFPOKDGMSSNIT-UHFFFAOYSA-N 0 0 327.388 3.214 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cnc4ccsc4c3)no2)n1 ZINC000346578344 457055701 /nfs/dbraw/zinc/05/57/01/457055701.db2.gz HMZGNFHDKXTDTO-UHFFFAOYSA-N 0 0 342.340 3.138 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC000356728237 457137626 /nfs/dbraw/zinc/13/76/26/457137626.db2.gz DJXPNXLWXIKYBD-UHFFFAOYSA-N 0 0 347.396 3.305 10 5 EGBERN CCc1ncnc(CC)c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342169462 457146034 /nfs/dbraw/zinc/14/60/34/457146034.db2.gz FRUTUKWFXLSSAF-GFCCVEGCSA-N 0 0 342.399 3.309 10 5 EGBERN C[C@@H]1CC[C@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356746182 457146230 /nfs/dbraw/zinc/14/62/30/457146230.db2.gz LCFYNTGTHBYKLW-UMVBOHGHSA-N 0 0 331.416 3.359 10 5 EGBERN CCc1noc(C)c1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000350053701 457157043 /nfs/dbraw/zinc/15/70/43/457157043.db2.gz VNZBTQNJFXSXSO-UHFFFAOYSA-N 0 0 332.360 3.160 10 5 EGBERN C/C(=C/c1nc(Cc2cc(C)on2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356925972 457223899 /nfs/dbraw/zinc/22/38/99/457223899.db2.gz YVJAYFULNNTVCT-YFHOEESVSA-N 0 0 326.312 3.426 10 5 EGBERN CC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1nccs1 ZINC000342371957 457263150 /nfs/dbraw/zinc/26/31/50/457263150.db2.gz ICSGURYVAFAKMW-SNVBAGLBSA-N 0 0 336.373 3.105 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2cccnc2)C2CC2)c1 ZINC000360118241 457264170 /nfs/dbraw/zinc/26/41/70/457264170.db2.gz OPYLYJODVOXWGR-INIZCTEOSA-N 0 0 327.340 3.340 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000360259232 457298164 /nfs/dbraw/zinc/29/81/64/457298164.db2.gz UMKPWQBFBZMBMM-GJZGRUSLSA-N 0 0 346.408 3.046 10 5 EGBERN CCOCC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000347272186 457323155 /nfs/dbraw/zinc/32/31/55/457323155.db2.gz GJBJSXPHROOMPQ-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN COc1cc(CN2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977662 457325852 /nfs/dbraw/zinc/32/58/52/457325852.db2.gz IXWNJSWJMLCAKE-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN O=C(CCOCC1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347285171 457330300 /nfs/dbraw/zinc/33/03/00/457330300.db2.gz FCEAEOVUYLAASH-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1C[C@@H]1c1ccccc1 ZINC000340097713 457332372 /nfs/dbraw/zinc/33/23/72/457332372.db2.gz LXGWUDCBLWDMGM-AEFFLSMTSA-N 0 0 335.363 3.291 10 5 EGBERN Cc1ccc([C@H]2CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])cc1C ZINC000357188818 457365717 /nfs/dbraw/zinc/36/57/17/457365717.db2.gz OXONWYDSFOHZRQ-OAHLLOKOSA-N 0 0 340.383 3.047 10 5 EGBERN COC(=O)c1c(C)c(NCc2ccc([N+](=O)[O-])cc2OC)ccc1F ZINC000357191112 457367708 /nfs/dbraw/zinc/36/77/08/457367708.db2.gz OWWFECVZWDFXQS-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000424999700 457399742 /nfs/dbraw/zinc/39/97/42/457399742.db2.gz LGAUJWVZMLCMPM-SJLPKXTDSA-N 0 0 328.343 3.199 10 5 EGBERN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c2ccccc2n1 ZINC000357326699 457447335 /nfs/dbraw/zinc/44/73/35/457447335.db2.gz AIHUEEBSECOVAX-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(CCn3ccc4ccccc43)n2)nc1 ZINC000357327652 457448683 /nfs/dbraw/zinc/44/86/83/457448683.db2.gz GGNSNKVMTHQYRG-UHFFFAOYSA-N 0 0 349.350 3.161 10 5 EGBERN COc1ccc(CSCc2nc(-c3ccon3)no2)cc1[N+](=O)[O-] ZINC000357375743 457481161 /nfs/dbraw/zinc/48/11/61/457481161.db2.gz VPLFIVALEQALTN-UHFFFAOYSA-N 0 0 348.340 3.075 10 5 EGBERN C[C@]1(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCCO1 ZINC000357398700 457496677 /nfs/dbraw/zinc/49/66/77/457496677.db2.gz HSGGOHHSBSFFLM-MRXNPFEDSA-N 0 0 328.328 3.076 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2ccc(C)nc2)CC1 ZINC000361046747 457542592 /nfs/dbraw/zinc/54/25/92/457542592.db2.gz RJGWQXYWVUHULY-UHFFFAOYSA-N 0 0 329.404 3.207 10 5 EGBERN C[C@@H]1c2ccccc2CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072189 457563088 /nfs/dbraw/zinc/56/30/88/457563088.db2.gz FPBNCEIRLYTYLR-ACJLOTCBSA-N 0 0 337.379 3.277 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000352732297 457566907 /nfs/dbraw/zinc/56/69/07/457566907.db2.gz ODCYOGQETDQJLS-UHFFFAOYSA-N 0 0 346.730 3.411 10 5 EGBERN CCc1ccc(C(=O)N2CCC(n3cncc3C)CC2)cc1[N+](=O)[O-] ZINC000364368961 457582386 /nfs/dbraw/zinc/58/23/86/457582386.db2.gz KQZQIMDAECMVJB-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN CC(C)C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccs1 ZINC000357534381 457584554 /nfs/dbraw/zinc/58/45/54/457584554.db2.gz MPIWPHOPZBYNNM-LLVKDONJSA-N 0 0 334.401 3.350 10 5 EGBERN CC(C)[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000409540270 457605330 /nfs/dbraw/zinc/60/53/30/457605330.db2.gz ACTGNXWPHOAQHH-MRXNPFEDSA-N 0 0 329.335 3.008 10 5 EGBERN COc1cc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370363390 457630135 /nfs/dbraw/zinc/63/01/35/457630135.db2.gz PNNGOEOLDGLMOI-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN Cc1cc(OCC(=O)N2CC(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000361212063 457647236 /nfs/dbraw/zinc/64/72/36/457647236.db2.gz LKPFUTZEKSMTFE-UHFFFAOYSA-N 0 0 344.342 3.047 10 5 EGBERN NC(=O)c1ccnc(N[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000357679139 457651402 /nfs/dbraw/zinc/65/14/02/457651402.db2.gz GSYBCEQBVDISJC-HZPDHXFCSA-N 0 0 348.362 3.210 10 5 EGBERN CO[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000361473400 457743705 /nfs/dbraw/zinc/74/37/05/457743705.db2.gz BBYSWDARZYNVCO-INIZCTEOSA-N 0 0 344.367 3.039 10 5 EGBERN CC1(C)C[C@@H](NCc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc21 ZINC000433225593 457783737 /nfs/dbraw/zinc/78/37/37/457783737.db2.gz CEADXTHKJLNDRB-OAHLLOKOSA-N 0 0 337.383 3.150 10 5 EGBERN COc1ncccc1-c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426417414 457826091 /nfs/dbraw/zinc/82/60/91/457826091.db2.gz ATUVLFYAEUTHPV-UHFFFAOYSA-N 0 0 340.339 3.374 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1[N+](=O)[O-] ZINC000411238134 457837365 /nfs/dbraw/zinc/83/73/65/457837365.db2.gz CEUPUAXDKDYZBH-UHFFFAOYSA-N 0 0 344.371 3.095 10 5 EGBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433557530 457847567 /nfs/dbraw/zinc/84/75/67/457847567.db2.gz HCFXSFFLKXQFSF-APPDUMDISA-N 0 0 344.342 3.198 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444107465 457852768 /nfs/dbraw/zinc/85/27/68/457852768.db2.gz SFZUPJBSJABQAM-UHFFFAOYSA-N 0 0 345.358 3.343 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2ccccn2)CC1 ZINC000371323408 457865196 /nfs/dbraw/zinc/86/51/96/457865196.db2.gz NNRQVZKDMULARE-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411372572 457867565 /nfs/dbraw/zinc/86/75/65/457867565.db2.gz VNYJUPCFBNTKCN-MAUKXSAKSA-N 0 0 328.343 3.438 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1noc(C)n1 ZINC000366605432 457867750 /nfs/dbraw/zinc/86/77/50/457867750.db2.gz CDGDVQKQAKBBQH-AWEZNQCLSA-N 0 0 332.360 3.022 10 5 EGBERN CC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(=O)[O-] ZINC000426656393 457873189 /nfs/dbraw/zinc/87/31/89/457873189.db2.gz XVKNGLBHDFEJFJ-LBPRGKRZSA-N 0 0 332.356 3.445 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000361865538 457917217 /nfs/dbraw/zinc/91/72/17/457917217.db2.gz BKUMVXCCFPLERP-NSHDSACASA-N 0 0 349.412 3.421 10 5 EGBERN CC(C)Oc1cc(C(=O)N(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000411568810 457921296 /nfs/dbraw/zinc/92/12/96/457921296.db2.gz CGFPUIQNKCNWAF-CQSZACIVSA-N 0 0 336.388 3.023 10 5 EGBERN COC1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000458076133 457923728 /nfs/dbraw/zinc/92/37/28/457923728.db2.gz YVVBUMBGDFEAFI-UHFFFAOYSA-N 0 0 326.780 3.244 10 5 EGBERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000458263281 457992892 /nfs/dbraw/zinc/99/28/92/457992892.db2.gz DUFBENQATDIIRH-CYBMUJFWSA-N 0 0 330.359 3.366 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000444895000 457994711 /nfs/dbraw/zinc/99/47/11/457994711.db2.gz JCKFGYMVMKMJPT-SECBINFHSA-N 0 0 329.303 3.303 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000362030595 458014008 /nfs/dbraw/zinc/01/40/08/458014008.db2.gz XBRRJZCSSVVZFQ-BXKDBHETSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000445232500 458029116 /nfs/dbraw/zinc/02/91/16/458029116.db2.gz IJEBWHWANODGKK-GFCCVEGCSA-N 0 0 341.371 3.072 10 5 EGBERN COc1ccc(OC)c([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000427983749 458060828 /nfs/dbraw/zinc/06/08/28/458060828.db2.gz VHEHGWFMNVVTDF-SNVBAGLBSA-N 0 0 342.355 3.083 10 5 EGBERN CCOc1cc(OCc2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000358543062 458064602 /nfs/dbraw/zinc/06/46/02/458064602.db2.gz RBISJXNMJMQBHG-UHFFFAOYSA-N 0 0 340.339 3.153 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000358551579 458070513 /nfs/dbraw/zinc/07/05/13/458070513.db2.gz GEZTYEMGXYAMBB-HIFRSBDPSA-N 0 0 340.326 3.111 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412143061 458106771 /nfs/dbraw/zinc/10/67/71/458106771.db2.gz INWYTTIUPKYIMZ-YJBOKZPZSA-N 0 0 328.343 3.138 10 5 EGBERN Cc1c(NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000446029569 458130167 /nfs/dbraw/zinc/13/01/67/458130167.db2.gz TUAQNMKDCJIOBX-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN CC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022444 458167720 /nfs/dbraw/zinc/16/77/20/458167720.db2.gz SQLVUDOBPZYIGI-CJNGLKHVSA-N 0 0 340.807 3.018 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(C)C)C2)cc1SC ZINC000446325700 458177937 /nfs/dbraw/zinc/17/79/37/458177937.db2.gz YTELXBSWILXBTF-NSHDSACASA-N 0 0 338.429 3.443 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412376528 458185129 /nfs/dbraw/zinc/18/51/29/458185129.db2.gz IHNQZCXSOUTISE-VIBAHUMZSA-N 0 0 346.427 3.266 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)CCSC ZINC000358747733 458189678 /nfs/dbraw/zinc/18/96/78/458189678.db2.gz XCRSTFHBZKHOQA-GFCCVEGCSA-N 0 0 349.460 3.451 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](c2ccncn2)C1 ZINC000369368961 458191177 /nfs/dbraw/zinc/19/11/77/458191177.db2.gz DGXZYSNIKGJYMW-LBPRGKRZSA-N 0 0 332.791 3.418 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000446493362 458193091 /nfs/dbraw/zinc/19/30/91/458193091.db2.gz FSGGGGDUHSWLLK-QGZVFWFLSA-N 0 0 333.388 3.328 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000446698529 458214978 /nfs/dbraw/zinc/21/49/78/458214978.db2.gz XRFIQGDTNGPVGJ-IBGZPJMESA-N 0 0 339.395 3.197 10 5 EGBERN Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358811774 458231972 /nfs/dbraw/zinc/23/19/72/458231972.db2.gz QBGPPWYBMPONJV-KRWDZBQOSA-N 0 0 343.408 3.494 10 5 EGBERN Cc1cc(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)no1 ZINC000436092706 458251721 /nfs/dbraw/zinc/25/17/21/458251721.db2.gz XZIDWIHAUOJYLC-UHFFFAOYSA-N 0 0 347.374 3.250 10 5 EGBERN COc1ccc(CNc2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-] ZINC000447081390 458264460 /nfs/dbraw/zinc/26/44/60/458264460.db2.gz FRFNMQDMNMQGTC-UHFFFAOYSA-N 0 0 331.357 3.062 10 5 EGBERN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436354731 458293473 /nfs/dbraw/zinc/29/34/73/458293473.db2.gz WLEFEEZBXZMLMX-GOSISDBHSA-N 0 0 348.399 3.241 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3ccc4ccccc4n3)nc2c1 ZINC000447684858 458329592 /nfs/dbraw/zinc/32/95/92/458329592.db2.gz FJQLUILRZDTIEH-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000372889588 458340831 /nfs/dbraw/zinc/34/08/31/458340831.db2.gz URSUGDSFOGYXNO-SECBINFHSA-N 0 0 332.385 3.004 10 5 EGBERN O=[N+]([O-])c1cc(CN(CCCO)c2ccc(F)c(F)c2)cs1 ZINC000459601839 458425086 /nfs/dbraw/zinc/42/50/86/458425086.db2.gz CGRZKADFINJLKJ-UHFFFAOYSA-N 0 0 328.340 3.324 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000430678320 458478554 /nfs/dbraw/zinc/47/85/54/458478554.db2.gz MEJNZNAMKDPTKV-GFCCVEGCSA-N 0 0 335.385 3.006 10 5 EGBERN COc1ccc(F)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000430841682 458497541 /nfs/dbraw/zinc/49/75/41/458497541.db2.gz XOEXEHIOEPQXEM-UHFFFAOYSA-N 0 0 334.303 3.068 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1-c1nc(-c2cccnc2)no1 ZINC000430986084 458514082 /nfs/dbraw/zinc/51/40/82/458514082.db2.gz ZEMLYRXMJPMXQG-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000460502227 458521899 /nfs/dbraw/zinc/52/18/99/458521899.db2.gz VRCWHIVOZOYIMV-UKRRQHHQSA-N 0 0 346.333 3.335 10 5 EGBERN COC(=O)[C@](C)(CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000468614606 458528331 /nfs/dbraw/zinc/52/83/31/458528331.db2.gz CQQOHILXHBJANF-GOSISDBHSA-N 0 0 343.383 3.149 10 5 EGBERN COc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000438096214 458531714 /nfs/dbraw/zinc/53/17/14/458531714.db2.gz KOSAIXOZBGZURY-UHFFFAOYSA-N 0 0 348.330 3.364 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424102348 458559042 /nfs/dbraw/zinc/55/90/42/458559042.db2.gz LILRHMBHJLYNKK-HSZRJFAPSA-N 0 0 335.381 3.228 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(C)nn(C)c3c2)c1 ZINC000461865875 458575714 /nfs/dbraw/zinc/57/57/14/458575714.db2.gz MRFVPMKISNDVSG-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN Cc1nc(N[C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000431477456 458578139 /nfs/dbraw/zinc/57/81/39/458578139.db2.gz LIISEIOGXYOLJP-QMMMGPOBSA-N 0 0 338.165 3.024 10 5 EGBERN CC(C)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438509038 458588207 /nfs/dbraw/zinc/58/82/07/458588207.db2.gz XHBLIRZQORXDOV-NSHDSACASA-N 0 0 325.796 3.165 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000494149582 458633117 /nfs/dbraw/zinc/63/31/17/458633117.db2.gz PQXRPQXGDXQEGE-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1nnc(-c2ccccc2)o1 ZINC000431859493 458634979 /nfs/dbraw/zinc/63/49/79/458634979.db2.gz RLLRFGUGJMGADX-NSHDSACASA-N 0 0 341.323 3.277 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(N(C)C)cn1 ZINC000439113917 458656117 /nfs/dbraw/zinc/65/61/17/458656117.db2.gz LKLYERFGDMWUKF-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN COc1cc(CNc2cccc3c2CCN3C(C)=O)ccc1[N+](=O)[O-] ZINC000546678782 458658258 /nfs/dbraw/zinc/65/82/58/458658258.db2.gz DIXSQWCBWJGAAE-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000462954955 458667932 /nfs/dbraw/zinc/66/79/32/458667932.db2.gz SPEJHCNERVGOHX-VYUIOLGVSA-N 0 0 343.305 3.035 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456582177 458720636 /nfs/dbraw/zinc/72/06/36/458720636.db2.gz ZCSAZTNECHANSP-KRWDZBQOSA-N 0 0 341.367 3.354 10 5 EGBERN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000456586025 458721781 /nfs/dbraw/zinc/72/17/81/458721781.db2.gz AOAFVFUZOLUNNZ-MRXNPFEDSA-N 0 0 343.358 3.435 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456626287 458734608 /nfs/dbraw/zinc/73/46/08/458734608.db2.gz RINXZPQKDZHRPG-KRWDZBQOSA-N 0 0 326.352 3.484 10 5 EGBERN CO[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000440551830 458825403 /nfs/dbraw/zinc/82/54/03/458825403.db2.gz CRKMNNLXXXFREF-ONGXEEELSA-N 0 0 344.209 3.430 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1[N+](=O)[O-] ZINC000548142934 458844510 /nfs/dbraw/zinc/84/45/10/458844510.db2.gz GZFYDPJWVYAGLX-CQSZACIVSA-N 0 0 346.412 3.379 10 5 EGBERN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000440719439 458846809 /nfs/dbraw/zinc/84/68/09/458846809.db2.gz XMMUSWMVOJQGPV-UHFFFAOYSA-N 0 0 347.327 3.265 10 5 EGBERN COc1nn(C)cc1N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000474075445 458859848 /nfs/dbraw/zinc/85/98/48/458859848.db2.gz UDCAFVHPNKWVGK-JSGCOSHPSA-N 0 0 330.388 3.160 10 5 EGBERN COC(=O)c1cc(NCCc2cccc(OC)c2)cc(C)c1[N+](=O)[O-] ZINC000474784631 458900883 /nfs/dbraw/zinc/90/08/83/458900883.db2.gz RONWZLDALSJQNB-UHFFFAOYSA-N 0 0 344.367 3.353 10 5 EGBERN C[C@H](CC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000475274123 458930713 /nfs/dbraw/zinc/93/07/13/458930713.db2.gz ANEGDRYQCZQDSC-CQSZACIVSA-N 0 0 333.432 3.316 10 5 EGBERN O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000577375728 459023812 /nfs/dbraw/zinc/02/38/12/459023812.db2.gz OBZWYIYYLBBCAI-ZJUUUORDSA-N 0 0 332.278 3.207 10 5 EGBERN C[C@H](c1nc([C@@H]2CCOC[C@@H]2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000442693187 459024658 /nfs/dbraw/zinc/02/46/58/459024658.db2.gz IVAVHPYEELORCH-JBLDHEPKSA-N 0 0 335.335 3.409 10 5 EGBERN CC(C)(NC(=O)N[C@H]1CCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000589932551 459053625 /nfs/dbraw/zinc/05/36/25/459053625.db2.gz KUAKATGOGXFNDC-LBPRGKRZSA-N 0 0 327.331 3.317 10 5 EGBERN CN(c1ccccc1)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000590052904 459071868 /nfs/dbraw/zinc/07/18/68/459071868.db2.gz CGPTUQDAOQDLGF-MOPGFXCFSA-N 0 0 339.395 3.336 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2c(cccc2NC(C)=O)C1 ZINC000594549075 459087117 /nfs/dbraw/zinc/08/71/17/459087117.db2.gz UTBKUGRFKKECFD-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN Cc1cnc(CCN(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)s1 ZINC000594568923 459094990 /nfs/dbraw/zinc/09/49/90/459094990.db2.gz RQABDGCKBVJLJW-UHFFFAOYSA-N 0 0 336.417 3.221 10 5 EGBERN CCc1cc(N2CC3(CC3(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594589912 459101128 /nfs/dbraw/zinc/10/11/28/459101128.db2.gz TVVXAXJKDHVLGL-UHFFFAOYSA-N 0 0 346.337 3.460 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@H](C3CC3)[C@@H]3CCCCO3)c21 ZINC000594590717 459101193 /nfs/dbraw/zinc/10/11/93/459101193.db2.gz NMZNHSNOGCORIJ-GOEBONIOSA-N 0 0 328.372 3.298 10 5 EGBERN Cc1nn(C)c(N[C@H](Cc2ccccc2)c2ncco2)c1[N+](=O)[O-] ZINC000594601903 459106463 /nfs/dbraw/zinc/10/64/63/459106463.db2.gz WOSCSVHCVKQVPH-CYBMUJFWSA-N 0 0 327.344 3.021 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1F ZINC000590323192 459115023 /nfs/dbraw/zinc/11/50/23/459115023.db2.gz FSEZAEVJUIJOHF-QPUJVOFHSA-N 0 0 334.269 3.434 10 5 EGBERN Cc1c(CC(=O)N2CC(F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000590442482 459130519 /nfs/dbraw/zinc/13/05/19/459130519.db2.gz FZXAKLIWPMBFQB-UHFFFAOYSA-N 0 0 346.333 3.292 10 5 EGBERN CC[C@H](NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000590442228 459130838 /nfs/dbraw/zinc/13/08/38/459130838.db2.gz OSQFUOFLBZKXLY-RLCCDNCMSA-N 0 0 342.399 3.251 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(F)(c3ccccc3F)C2)c1 ZINC000590446201 459132355 /nfs/dbraw/zinc/13/23/55/459132355.db2.gz ZFFDPMJBAISHDM-UHFFFAOYSA-N 0 0 348.305 3.063 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)cc(F)c1F ZINC000590469513 459134290 /nfs/dbraw/zinc/13/42/90/459134290.db2.gz ZNFMGIDYRVLSIT-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734085 459145678 /nfs/dbraw/zinc/14/56/78/459145678.db2.gz OACLWNXEPPJZTO-WCQGTBRESA-N 0 0 346.305 3.241 10 5 EGBERN COc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1OC ZINC000578318061 459180946 /nfs/dbraw/zinc/18/09/46/459180946.db2.gz PKBJBHUFNMGNMT-UHFFFAOYSA-N 0 0 343.383 3.498 10 5 EGBERN Cc1nc(C)c(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000559013203 459231586 /nfs/dbraw/zinc/23/15/86/459231586.db2.gz SRGRAGNTBWRJMD-UHFFFAOYSA-N 0 0 344.245 3.480 10 5 EGBERN C[C@H](C(=O)NC[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000568348371 459271790 /nfs/dbraw/zinc/27/17/90/459271790.db2.gz VQODYCDFARYXLA-UGSOOPFHSA-N 0 0 334.416 3.146 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000559941044 459286411 /nfs/dbraw/zinc/28/64/11/459286411.db2.gz JRYPLJVFOTZGSV-DLBZAZTESA-N 0 0 334.416 3.239 10 5 EGBERN CCCCC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595380120 459286911 /nfs/dbraw/zinc/28/69/11/459286911.db2.gz KFBABYRYVHACAF-CYBMUJFWSA-N 0 0 341.433 3.113 10 5 EGBERN O=c1[nH]c(N(Cc2ccccc2)C2CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000582054421 459299997 /nfs/dbraw/zinc/29/99/97/459299997.db2.gz UOABBTAJVBDNLF-UHFFFAOYSA-N 0 0 336.351 3.413 10 5 EGBERN C[C@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595478557 459317804 /nfs/dbraw/zinc/31/78/04/459317804.db2.gz AIAIXNWAGJPUBB-KBPBESRZSA-N 0 0 347.415 3.399 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](C2CCC2)C1 ZINC000591125662 459318883 /nfs/dbraw/zinc/31/88/83/459318883.db2.gz IFHOQRWPGYYABI-LBPRGKRZSA-N 0 0 340.326 3.458 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660885 459343351 /nfs/dbraw/zinc/34/33/51/459343351.db2.gz PFGLJHJNLPTTTN-INIZCTEOSA-N 0 0 334.416 3.334 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC000595574057 459351587 /nfs/dbraw/zinc/35/15/87/459351587.db2.gz NVHGAFJDIFXRLW-INIZCTEOSA-N 0 0 331.416 3.359 10 5 EGBERN Cc1ccc(CCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000540879994 459395570 /nfs/dbraw/zinc/39/55/70/459395570.db2.gz DZOUNBCHZQFCEQ-UHFFFAOYSA-N 0 0 339.395 3.124 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000595733894 459418707 /nfs/dbraw/zinc/41/87/07/459418707.db2.gz JTCYNXDYNAFOLO-GVDBMIGSSA-N 0 0 332.400 3.149 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCC4)[C@@H]3C3CCOCC3)nc2c1 ZINC000591830581 459451064 /nfs/dbraw/zinc/45/10/64/459451064.db2.gz RMOGYJYUBSJEIT-INIZCTEOSA-N 0 0 342.399 3.257 10 5 EGBERN C[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402549 459453974 /nfs/dbraw/zinc/45/39/74/459453974.db2.gz GRIAPYYNRXWCDV-SMDDNHRTSA-N 0 0 331.347 3.055 10 5 EGBERN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892957 459478535 /nfs/dbraw/zinc/47/85/35/459478535.db2.gz VMBYEQSHVHUBIB-SMDDNHRTSA-N 0 0 348.321 3.015 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](OC(F)F)C1)CCCC2 ZINC000591928743 459488793 /nfs/dbraw/zinc/48/87/93/459488793.db2.gz CAALPGHUCSLYMT-NSHDSACASA-N 0 0 327.331 3.077 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596000596 459492583 /nfs/dbraw/zinc/49/25/83/459492583.db2.gz DPHOLALOWUPUGQ-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N(Cc1ccc(C)nc1)CC1CC1 ZINC000591973694 459502038 /nfs/dbraw/zinc/50/20/38/459502038.db2.gz IWFICJYWTZVLTA-UHFFFAOYSA-N 0 0 329.404 3.240 10 5 EGBERN CCCC[C@@](C)(CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000591976563 459502114 /nfs/dbraw/zinc/50/21/14/459502114.db2.gz YQHOZUUNYQLDQD-LBPRGKRZSA-N 0 0 332.198 3.105 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@]1(O)CCOC1 ZINC000591986711 459505687 /nfs/dbraw/zinc/50/56/87/459505687.db2.gz DKBRKTGREMQQGY-CQSZACIVSA-N 0 0 348.321 3.203 10 5 EGBERN COC(=O)c1c(Cl)c(NCCOC2CCCC2)ccc1[N+](=O)[O-] ZINC000596082635 459513866 /nfs/dbraw/zinc/51/38/66/459513866.db2.gz UGCWLWMCJCZORB-UHFFFAOYSA-N 0 0 342.779 3.406 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000497296647 459519198 /nfs/dbraw/zinc/51/91/98/459519198.db2.gz UAAIOVMUHCTMFJ-LBPRGKRZSA-N 0 0 329.356 3.356 10 5 EGBERN CC[C@@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596145910 459536516 /nfs/dbraw/zinc/53/65/16/459536516.db2.gz RZNHZYSTBGQMDB-ZJUUUORDSA-N 0 0 344.795 3.244 10 5 EGBERN O=C(CO[C@H]1CCCc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000562376107 459548091 /nfs/dbraw/zinc/54/80/91/459548091.db2.gz NTFSUUIRHMIJMK-SFHVURJKSA-N 0 0 340.379 3.305 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000592213506 459550657 /nfs/dbraw/zinc/55/06/57/459550657.db2.gz YOECJKIWDAZIIR-INIZCTEOSA-N 0 0 347.415 3.378 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C(C)C)C1(CO)CC=CC1 ZINC000592252132 459560285 /nfs/dbraw/zinc/56/02/85/459560285.db2.gz SAHLHAHHNQPIFH-MRXNPFEDSA-N 0 0 347.415 3.378 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000596216353 459563322 /nfs/dbraw/zinc/56/33/22/459563322.db2.gz HQSNZSFTCPEROR-QMMMGPOBSA-N 0 0 330.793 3.200 10 5 EGBERN CC(C)(C)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545685 459570393 /nfs/dbraw/zinc/57/03/93/459570393.db2.gz TZWPEXPCQSDRBX-ZFWWWQNUSA-N 0 0 326.824 3.477 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596272772 459580892 /nfs/dbraw/zinc/58/08/92/459580892.db2.gz JUFXQHPCHWCLHJ-HTQZYQBOSA-N 0 0 330.793 3.341 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596272774 459581049 /nfs/dbraw/zinc/58/10/49/459581049.db2.gz JUFXQHPCHWCLHJ-SFYZADRCSA-N 0 0 330.793 3.341 10 5 EGBERN COc1ccc(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)nc1 ZINC000596291015 459586832 /nfs/dbraw/zinc/58/68/32/459586832.db2.gz TZCLBTCEAXYLOG-UHFFFAOYSA-N 0 0 348.790 3.431 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000562571390 459590901 /nfs/dbraw/zinc/59/09/01/459590901.db2.gz KCKRLHLCZOFGQB-CYBMUJFWSA-N 0 0 344.367 3.017 10 5 EGBERN CC[C@@H](COCC1CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596326796 459597541 /nfs/dbraw/zinc/59/75/41/459597541.db2.gz LSWBITSZTIAPCJ-ZDUSSCGKSA-N 0 0 333.388 3.097 10 5 EGBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000596348691 459604291 /nfs/dbraw/zinc/60/42/91/459604291.db2.gz GZNLYJODCUERGY-MNOVXSKESA-N 0 0 346.305 3.081 10 5 EGBERN C[C@H](O)[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984958 459605958 /nfs/dbraw/zinc/60/59/58/459605958.db2.gz UCVHAPYQYXACBU-LIXBPZJASA-N 0 0 330.359 3.433 10 5 EGBERN C[S@](=O)[C@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596365168 459608792 /nfs/dbraw/zinc/60/87/92/459608792.db2.gz HAJNYFJRHUYGPL-NRKKMNNPSA-N 0 0 333.413 3.245 10 5 EGBERN CO[C@H](CSCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000596390579 459619508 /nfs/dbraw/zinc/61/95/08/459619508.db2.gz RTCPMXYJPJNIMS-LKFCYVNXSA-N 0 0 333.356 3.158 10 5 EGBERN CN(C)c1noc(CSCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000596411199 459628404 /nfs/dbraw/zinc/62/84/04/459628404.db2.gz UIESHGPBVWWXDW-UHFFFAOYSA-N 0 0 328.781 3.131 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cscn1 ZINC000596430837 459634743 /nfs/dbraw/zinc/63/47/43/459634743.db2.gz KEANQXRUHSVLLW-NSHDSACASA-N 0 0 346.412 3.460 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000596429310 459634779 /nfs/dbraw/zinc/63/47/79/459634779.db2.gz DEUGABKMOODWEJ-SNVBAGLBSA-N 0 0 334.401 3.363 10 5 EGBERN C[C@H](NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000592581858 459636682 /nfs/dbraw/zinc/63/66/82/459636682.db2.gz BPVDILCPRDTVLW-NSHDSACASA-N 0 0 336.388 3.140 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)COc1c(F)cccc1F ZINC000596450288 459640702 /nfs/dbraw/zinc/64/07/02/459640702.db2.gz BWILONRNQKSNDQ-VIFPVBQESA-N 0 0 340.330 3.277 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](CCF)C1 ZINC000596481463 459651588 /nfs/dbraw/zinc/65/15/88/459651588.db2.gz XFJBLKPLHLESDN-VIFPVBQESA-N 0 0 332.173 3.328 10 5 EGBERN O=[N+]([O-])c1ccc(NCC(O)(C2CC2)C2CC2)cc1OC(F)F ZINC000596490460 459655026 /nfs/dbraw/zinc/65/50/26/459655026.db2.gz AKGBJFSCXQCYMV-UHFFFAOYSA-N 0 0 328.315 3.159 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000596502768 459658804 /nfs/dbraw/zinc/65/88/04/459658804.db2.gz IRWAIDLPFPGXQH-RHSMWYFYSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@@]1(C(F)F)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596502524 459659209 /nfs/dbraw/zinc/65/92/09/459659209.db2.gz RNXXKCHOGLKYKF-ZDUSSCGKSA-N 0 0 349.721 3.136 10 5 EGBERN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC(F)F ZINC000592673774 459661883 /nfs/dbraw/zinc/66/18/83/459661883.db2.gz YCSSQNQZGJELPC-LLVKDONJSA-N 0 0 341.358 3.216 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCOC(C3CC3)(C3CC3)C1)CCCC2 ZINC000596515175 459662962 /nfs/dbraw/zinc/66/29/62/459662962.db2.gz REEYRXYQMSYEBV-UHFFFAOYSA-N 0 0 343.427 3.264 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCC1(O)CCC(F)(F)CC1 ZINC000596528242 459666716 /nfs/dbraw/zinc/66/67/16/459666716.db2.gz QGCCDGPSSFUASF-UHFFFAOYSA-N 0 0 337.326 3.495 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2ccccc2F)CCC1 ZINC000592691022 459667676 /nfs/dbraw/zinc/66/76/76/459667676.db2.gz UFLAHRARCAVBDT-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000592694738 459668924 /nfs/dbraw/zinc/66/89/24/459668924.db2.gz FYDXYQJFWXSQQN-STQMWFEESA-N 0 0 334.420 3.100 10 5 EGBERN CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000596541590 459670021 /nfs/dbraw/zinc/67/00/21/459670021.db2.gz NNZZADWNEUBDAW-CJNGLKHVSA-N 0 0 349.431 3.142 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCC2)C2CCCCC2)n1 ZINC000592697201 459670138 /nfs/dbraw/zinc/67/01/38/459670138.db2.gz RMDBNNXSSNJYJL-OAHLLOKOSA-N 0 0 334.420 3.290 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](CC(F)(F)F)O1 ZINC000596554829 459675229 /nfs/dbraw/zinc/67/52/29/459675229.db2.gz MXTGRMKJBLIORC-PSASIEDQSA-N 0 0 344.293 3.017 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000596564009 459678347 /nfs/dbraw/zinc/67/83/47/459678347.db2.gz YQOBMTGROQZVQG-UHFFFAOYSA-N 0 0 338.408 3.044 10 5 EGBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@](C)(C(F)F)O1 ZINC000596570632 459680040 /nfs/dbraw/zinc/68/00/40/459680040.db2.gz ANLDBMMWXYBWLZ-QLJPJBMISA-N 0 0 341.358 3.118 10 5 EGBERN COc1cc(N2CCO[C@@](C)(C(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596576011 459683154 /nfs/dbraw/zinc/68/31/54/459683154.db2.gz XYBVZFULKMIVPQ-CYBMUJFWSA-N 0 0 336.722 3.117 10 5 EGBERN CCOc1cc(N2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596574991 459683312 /nfs/dbraw/zinc/68/33/12/459683312.db2.gz SAPAQVIONNNWFA-BONVTDFDSA-N 0 0 330.331 3.242 10 5 EGBERN CNC(=O)c1ccc(NCC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000596586758 459686378 /nfs/dbraw/zinc/68/63/78/459686378.db2.gz XPORRJWJYZJLTD-UHFFFAOYSA-N 0 0 333.310 3.345 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770758 459686980 /nfs/dbraw/zinc/68/69/80/459686980.db2.gz CNLLZZVHWKNLHN-ZIAGYGMSSA-N 0 0 344.415 3.491 10 5 EGBERN COC(=O)CCOc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000543792557 459701226 /nfs/dbraw/zinc/70/12/26/459701226.db2.gz WWNZDOGWLCZIHS-UHFFFAOYSA-N 0 0 345.355 3.292 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000596626093 459703555 /nfs/dbraw/zinc/70/35/55/459703555.db2.gz ZWTJPJOOFHOTLN-LBPRGKRZSA-N 0 0 349.387 3.169 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CCF)C1 ZINC000596625254 459703776 /nfs/dbraw/zinc/70/37/76/459703776.db2.gz RDZQKUBEXDKNDU-LLVKDONJSA-N 0 0 325.340 3.207 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592856659 459704820 /nfs/dbraw/zinc/70/48/20/459704820.db2.gz UZNBSRZSPCEORP-YJBOKZPZSA-N 0 0 336.432 3.221 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC12CC=CC2 ZINC000592899939 459716076 /nfs/dbraw/zinc/71/60/76/459716076.db2.gz FYQRWYZNPOGHBQ-OAHLLOKOSA-N 0 0 333.363 3.133 10 5 EGBERN Cc1cc(OCC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000592901693 459717016 /nfs/dbraw/zinc/71/70/16/459717016.db2.gz MVKQDFMKONGBTO-GOSISDBHSA-N 0 0 344.411 3.485 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC12CC=CC2 ZINC000592902991 459717193 /nfs/dbraw/zinc/71/71/93/459717193.db2.gz SHWIWRULCXSXPC-MRXNPFEDSA-N 0 0 344.367 3.140 10 5 EGBERN Cc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[nH]c1C(C)C ZINC000592951081 459723172 /nfs/dbraw/zinc/72/31/72/459723172.db2.gz YPYDGCGJFSGFNV-UHFFFAOYSA-N 0 0 341.371 3.343 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596678581 459724589 /nfs/dbraw/zinc/72/45/89/459724589.db2.gz DCRPBQXOGQNMBD-AWEZNQCLSA-N 0 0 349.431 3.334 10 5 EGBERN CCc1ccc(C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000544092482 459725321 /nfs/dbraw/zinc/72/53/21/459725321.db2.gz KKBILNQBUUVWJD-LBPRGKRZSA-N 0 0 342.399 3.307 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(c3cccc(F)c3)CC2)c1 ZINC000593021285 459742497 /nfs/dbraw/zinc/74/24/97/459742497.db2.gz TYRALWUSTMGZLT-UHFFFAOYSA-N 0 0 344.342 3.299 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000593023327 459743404 /nfs/dbraw/zinc/74/34/04/459743404.db2.gz QBAFFZKRFRIEPD-KRWDZBQOSA-N 0 0 341.367 3.017 10 5 EGBERN O=C([C@@H]1C[C@H]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593032020 459747566 /nfs/dbraw/zinc/74/75/66/459747566.db2.gz QBPOPZDSSFREGX-ZWKOTPCHSA-N 0 0 343.427 3.070 10 5 EGBERN CCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1ccccc1 ZINC000563262370 459749868 /nfs/dbraw/zinc/74/98/68/459749868.db2.gz YDOZWFROWRIJRC-UHFFFAOYSA-N 0 0 327.369 3.419 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573877808 459750474 /nfs/dbraw/zinc/75/04/74/459750474.db2.gz RLTCKUVTXVWXTC-LBPRGKRZSA-N 0 0 332.404 3.210 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593051409 459756162 /nfs/dbraw/zinc/75/61/62/459756162.db2.gz JQCPNRWGIQUSBJ-OAHLLOKOSA-N 0 0 344.342 3.143 10 5 EGBERN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCO1 ZINC000596801490 459765995 /nfs/dbraw/zinc/76/59/95/459765995.db2.gz QQUVBKHNBKOONO-BXKDBHETSA-N 0 0 344.314 3.340 10 5 EGBERN Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596823816 459771375 /nfs/dbraw/zinc/77/13/75/459771375.db2.gz NMHHGNGVQQUSAS-CYBMUJFWSA-N 0 0 333.388 3.469 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593117590 459777743 /nfs/dbraw/zinc/77/77/43/459777743.db2.gz OFMXMQSIBFNDEM-AWEZNQCLSA-N 0 0 348.403 3.023 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000596864866 459781551 /nfs/dbraw/zinc/78/15/51/459781551.db2.gz BNESYDJVKAYNEH-UHFFFAOYSA-N 0 0 349.387 3.017 10 5 EGBERN Cc1nnc(CN(C)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000596899281 459790056 /nfs/dbraw/zinc/79/00/56/459790056.db2.gz GTOVLLXZFPORDG-UHFFFAOYSA-N 0 0 347.375 3.248 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000596899859 459790366 /nfs/dbraw/zinc/79/03/66/459790366.db2.gz WVRQLPJLFVWVOR-KPZWWZAWSA-N 0 0 349.431 3.375 10 5 EGBERN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584723532 459791309 /nfs/dbraw/zinc/79/13/09/459791309.db2.gz QQQOBQUXIZCUDF-WFASDCNBSA-N 0 0 348.399 3.035 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596930689 459798939 /nfs/dbraw/zinc/79/89/39/459798939.db2.gz LSBRGMJVCCTRJA-AWEZNQCLSA-N 0 0 347.415 3.084 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCOC2 ZINC000597056369 459826406 /nfs/dbraw/zinc/82/64/06/459826406.db2.gz ARSUOLGVYXNBJV-UHFFFAOYSA-N 0 0 341.367 3.032 10 5 EGBERN COCc1ccnc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000593291425 459832022 /nfs/dbraw/zinc/83/20/22/459832022.db2.gz OMOJSFIFGYXBBR-LLVKDONJSA-N 0 0 330.344 3.019 10 5 EGBERN CCCN(CC1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093188 459836190 /nfs/dbraw/zinc/83/61/90/459836190.db2.gz ASPGEQNCNMDNLB-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN CCSCC[C@@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097284 459836504 /nfs/dbraw/zinc/83/65/04/459836504.db2.gz GEKOXURIMMFSMI-MRVPVSSYSA-N 0 0 346.840 3.484 10 5 EGBERN C[C@H](C(=O)N1C[C@H](C)OCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000593318149 459839702 /nfs/dbraw/zinc/83/97/02/459839702.db2.gz ABHSOHXPZNVYIK-RYUDHWBXSA-N 0 0 336.363 3.007 10 5 EGBERN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593325881 459844502 /nfs/dbraw/zinc/84/45/02/459844502.db2.gz FQHXDNKKTCRPRF-CQSZACIVSA-N 0 0 340.379 3.162 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)n1 ZINC000598275842 459846733 /nfs/dbraw/zinc/84/67/33/459846733.db2.gz QGULNYUDRJQAGN-NSHDSACASA-N 0 0 328.372 3.138 10 5 EGBERN CCc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000593339773 459852394 /nfs/dbraw/zinc/85/23/94/459852394.db2.gz JYODAAWJZMRNQC-UHFFFAOYSA-N 0 0 328.368 3.243 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598309004 459859596 /nfs/dbraw/zinc/85/95/96/459859596.db2.gz LZLTZJOEMNVOPL-CABCVRRESA-N 0 0 332.400 3.451 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(CC2(F)F)C1 ZINC000593357494 459861229 /nfs/dbraw/zinc/86/12/29/459861229.db2.gz CELNNQQVVZBTPK-HNNXBMFYSA-N 0 0 333.294 3.014 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000597179667 459864707 /nfs/dbraw/zinc/86/47/07/459864707.db2.gz IJTPJUHPQKBMSP-YPMHNXCESA-N 0 0 347.396 3.472 10 5 EGBERN CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752600 459866589 /nfs/dbraw/zinc/86/65/89/459866589.db2.gz LVSQUXQZNONZAS-CQSZACIVSA-N 0 0 345.424 3.080 10 5 EGBERN CSc1cc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)ccc1C ZINC000593373578 459870128 /nfs/dbraw/zinc/87/01/28/459870128.db2.gz FLMSMDVIKMOCFL-UHFFFAOYSA-N 0 0 334.401 3.159 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598348317 459874140 /nfs/dbraw/zinc/87/41/40/459874140.db2.gz FGDOSSXGRRQSKD-RRQGHBQHSA-N 0 0 344.411 3.258 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598352883 459876078 /nfs/dbraw/zinc/87/60/78/459876078.db2.gz RUXJTOCZIXIPLI-IRXDYDNUSA-N 0 0 328.368 3.083 10 5 EGBERN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598367434 459881287 /nfs/dbraw/zinc/88/12/87/459881287.db2.gz RAXJHRPREXNQMC-HSBZDZAISA-N 0 0 337.395 3.064 10 5 EGBERN CC(C)[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598381857 459884014 /nfs/dbraw/zinc/88/40/14/459884014.db2.gz QVRLQJSIFBIGSP-MRXNPFEDSA-N 0 0 342.399 3.160 10 5 EGBERN COC(=O)c1ccc(OCc2cc(OC(C)C)ccn2)c([N+](=O)[O-])c1 ZINC000593419823 459884309 /nfs/dbraw/zinc/88/43/09/459884309.db2.gz DOCXRXOORVPCQF-UHFFFAOYSA-N 0 0 346.339 3.143 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c2ncccc12 ZINC000546019557 459888683 /nfs/dbraw/zinc/88/86/83/459888683.db2.gz VEBMIVQZLTZSPE-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CN(Cc1ccc(Cl)s1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000586994521 459890736 /nfs/dbraw/zinc/89/07/36/459890736.db2.gz ARTVFBOMHDABTP-UHFFFAOYSA-N 0 0 327.793 3.021 10 5 EGBERN Cc1ccc(OCCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587300269 459892139 /nfs/dbraw/zinc/89/21/39/459892139.db2.gz VZXSYADBOIWNDL-UHFFFAOYSA-N 0 0 345.399 3.249 10 5 EGBERN Cc1ccc([C@@H](C)N(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587404777 459892298 /nfs/dbraw/zinc/89/22/98/459892298.db2.gz GOWDLPKOPQHQON-CYBMUJFWSA-N 0 0 329.400 3.484 10 5 EGBERN CCOc1cccc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587553450 459893610 /nfs/dbraw/zinc/89/36/10/459893610.db2.gz KNYNCUFJKWOOTO-NSHDSACASA-N 0 0 331.372 3.241 10 5 EGBERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000608972704 459897198 /nfs/dbraw/zinc/89/71/98/459897198.db2.gz KUNDFTMSNILCDY-CQSZACIVSA-N 0 0 338.411 3.410 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCOc1cccc(Cl)c1Cl ZINC000608974500 459897490 /nfs/dbraw/zinc/89/74/90/459897490.db2.gz CRIHUEIWVBCFJV-UHFFFAOYSA-N 0 0 328.155 3.209 10 5 EGBERN Nc1cc(N[C@@H]2CCC[C@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587982207 459898081 /nfs/dbraw/zinc/89/80/81/459898081.db2.gz URLCXHWXZVSNLM-KBXCAEBGSA-N 0 0 341.411 3.493 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593482607 459902544 /nfs/dbraw/zinc/90/25/44/459902544.db2.gz VACPHLNRKGAMGW-QGZVFWFLSA-N 0 0 332.379 3.427 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCOC1(C)C ZINC000598452964 459902613 /nfs/dbraw/zinc/90/26/13/459902613.db2.gz BWQYQCFMISZQPM-LSDHHAIUSA-N 0 0 334.416 3.095 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000598460530 459903928 /nfs/dbraw/zinc/90/39/28/459903928.db2.gz ZJUFBXSLVMOWKE-HYVNUMGLSA-N 0 0 326.327 3.110 10 5 EGBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000593505162 459908538 /nfs/dbraw/zinc/90/85/38/459908538.db2.gz YGTKICRLPUJKOO-GXSJLCMTSA-N 0 0 349.416 3.017 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1C[C@H]1C1CCOCC1 ZINC000602383416 459910066 /nfs/dbraw/zinc/91/00/66/459910066.db2.gz OWIOYTHULOVJFN-UONOGXRCSA-N 0 0 341.367 3.144 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([S@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000613716066 459910296 /nfs/dbraw/zinc/91/02/96/459910296.db2.gz TUQLVSZLNQMENT-GYCJOSAFSA-N 0 0 346.408 3.213 10 5 EGBERN CC1(C)CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597314433 459912197 /nfs/dbraw/zinc/91/21/97/459912197.db2.gz ZQRNQZQVLHTAKQ-MRXNPFEDSA-N 0 0 332.400 3.401 10 5 EGBERN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597314438 459912215 /nfs/dbraw/zinc/91/22/15/459912215.db2.gz ZSCHMMAUWOAYAA-MORSLUCNSA-N 0 0 344.411 3.401 10 5 EGBERN CCOc1cc(N[C@@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593521533 459914534 /nfs/dbraw/zinc/91/45/34/459914534.db2.gz UOCSEFOROZDBQD-CQSZACIVSA-N 0 0 343.383 3.182 10 5 EGBERN CC(C)(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532844 459916927 /nfs/dbraw/zinc/91/69/27/459916927.db2.gz ZVWAOOZWWXRHPD-HNNXBMFYSA-N 0 0 349.412 3.056 10 5 EGBERN Cc1cccc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598509342 459925630 /nfs/dbraw/zinc/92/56/30/459925630.db2.gz SPVWZZBXRKUBBC-WDEREUQCSA-N 0 0 346.305 3.085 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000598540209 459932779 /nfs/dbraw/zinc/93/27/79/459932779.db2.gz PJVDEAQNWKOTAI-YVEFUNNKSA-N 0 0 328.368 3.009 10 5 EGBERN COCC1(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000598551337 459935693 /nfs/dbraw/zinc/93/56/93/459935693.db2.gz QJIFUNJRHZIUNV-LBPRGKRZSA-N 0 0 338.379 3.303 10 5 EGBERN C[C@@H]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C1 ZINC000597407440 459942540 /nfs/dbraw/zinc/94/25/40/459942540.db2.gz SXDGRNXCXDTMQO-CHWSQXEVSA-N 0 0 341.415 3.498 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598573842 459944287 /nfs/dbraw/zinc/94/42/87/459944287.db2.gz PUTBJCCHXZFONY-SFHVURJKSA-N 0 0 337.379 3.286 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(CSC)cc2)c1[N+](=O)[O-] ZINC000598624706 459967641 /nfs/dbraw/zinc/96/76/41/459967641.db2.gz FNGNIMJFERRFRG-UHFFFAOYSA-N 0 0 347.396 3.252 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CNc2ccccc2C1 ZINC000593760709 459976897 /nfs/dbraw/zinc/97/68/97/459976897.db2.gz UQETUPIEYCGZJN-CQSZACIVSA-N 0 0 340.383 3.370 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000588788130 459983329 /nfs/dbraw/zinc/98/33/29/459983329.db2.gz JATAQAFYWXTDAY-SNVBAGLBSA-N 0 0 336.241 3.114 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000609575789 459985885 /nfs/dbraw/zinc/98/58/85/459985885.db2.gz UZJAMNKDAGOXMK-WWGRRREGSA-N 0 0 332.400 3.468 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597578661 459999707 /nfs/dbraw/zinc/99/97/07/459999707.db2.gz ACPKYCYOLZHUBR-MFKMUULPSA-N 0 0 346.305 3.045 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](C2CC2)C1 ZINC000588903669 460001218 /nfs/dbraw/zinc/00/12/18/460001218.db2.gz GJSASVQKUGFOEI-AWEZNQCLSA-N 0 0 338.429 3.022 10 5 EGBERN CCc1ccc(OCC(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000609650583 460002318 /nfs/dbraw/zinc/00/23/18/460002318.db2.gz GALNJUQMWAEKIF-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000598713534 460003893 /nfs/dbraw/zinc/00/38/93/460003893.db2.gz NKQGXHVWLCDFFP-OUAUKWLOSA-N 0 0 345.367 3.224 10 5 EGBERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609676233 460008145 /nfs/dbraw/zinc/00/81/45/460008145.db2.gz UAQDRVUZHDDQHE-GHMZBOCLSA-N 0 0 332.447 3.151 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCc3ccccc3N2)c1 ZINC000593917350 460017067 /nfs/dbraw/zinc/01/70/67/460017067.db2.gz UUPUIAVGGDEJJC-HNNXBMFYSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C(F)(F)F)CC1 ZINC000589063379 460022806 /nfs/dbraw/zinc/02/28/06/460022806.db2.gz OTFLSZMOWYULMG-UHFFFAOYSA-N 0 0 341.289 3.077 10 5 EGBERN CC(=O)N1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000589102183 460029504 /nfs/dbraw/zinc/02/95/04/460029504.db2.gz XHCRNCLQUJXQMV-SECBINFHSA-N 0 0 332.187 3.182 10 5 EGBERN COCc1csc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000598805261 460042615 /nfs/dbraw/zinc/04/26/15/460042615.db2.gz HJBMJWNEIBUOMX-SNVBAGLBSA-N 0 0 332.381 3.394 10 5 EGBERN Cc1c(CNC(=O)C[C@H]2OCc3ccccc32)cccc1[N+](=O)[O-] ZINC000594010262 460054289 /nfs/dbraw/zinc/05/42/89/460054289.db2.gz GLRGLTBTBGAXMC-QGZVFWFLSA-N 0 0 326.352 3.181 10 5 EGBERN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000598830174 460056336 /nfs/dbraw/zinc/05/63/36/460056336.db2.gz BCGFSORURKQORV-BBRMVZONSA-N 0 0 341.367 3.155 10 5 EGBERN CCCN(C(=O)c1cc(C(=O)OC)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000598839924 460061613 /nfs/dbraw/zinc/06/16/13/460061613.db2.gz AOWRKRZIKITZTB-UHFFFAOYSA-N 0 0 346.339 3.340 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000598843368 460063065 /nfs/dbraw/zinc/06/30/65/460063065.db2.gz LGAIGNXTJYXQLA-OAHLLOKOSA-N 0 0 348.399 3.464 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610191186 460078266 /nfs/dbraw/zinc/07/82/66/460078266.db2.gz WQTRSXJCFLDYSD-PKOBYXMFSA-N 0 0 340.379 3.454 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594056742 460078403 /nfs/dbraw/zinc/07/84/03/460078403.db2.gz WBXVSWQRLTXQPM-CYBMUJFWSA-N 0 0 349.387 3.217 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000598882789 460082692 /nfs/dbraw/zinc/08/26/92/460082692.db2.gz QHUCIBKHBJMDKX-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598882400 460082880 /nfs/dbraw/zinc/08/28/80/460082880.db2.gz MAMMXVIKQAHVBX-AWEZNQCLSA-N 0 0 346.427 3.433 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C2CCCC1CCC2 ZINC000589402345 460083166 /nfs/dbraw/zinc/08/31/66/460083166.db2.gz IERDDHBVCXHQNU-UHFFFAOYSA-N 0 0 345.399 3.029 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(OC)cc32)c1 ZINC000598881908 460083251 /nfs/dbraw/zinc/08/32/51/460083251.db2.gz IBKMXBSEFTVLLX-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN COC1CC(CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000597862199 460084333 /nfs/dbraw/zinc/08/43/33/460084333.db2.gz RCYUYOHDODJSJR-LKSINWNRSA-N 0 0 338.429 3.007 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594074453 460088506 /nfs/dbraw/zinc/08/85/06/460088506.db2.gz VXNIHHNRYNLOPB-SJORKVTESA-N 0 0 332.400 3.235 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594079052 460090817 /nfs/dbraw/zinc/09/08/17/460090817.db2.gz QSRUQPAAHIHNQV-JSGCOSHPSA-N 0 0 337.376 3.073 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(F)cc2)c1 ZINC000589495316 460094737 /nfs/dbraw/zinc/09/47/37/460094737.db2.gz NOPZNZWPLYTYSE-UHFFFAOYSA-N 0 0 332.331 3.153 10 5 EGBERN O=[N+]([O-])c1ccsc1N1CCc2nccc(Br)c2C1 ZINC000598942324 460097965 /nfs/dbraw/zinc/09/79/65/460097965.db2.gz KKYKDTNIPZQLGN-UHFFFAOYSA-N 0 0 340.202 3.377 10 5 EGBERN CC[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943370 460098106 /nfs/dbraw/zinc/09/81/06/460098106.db2.gz SOCJYAFAHRERNH-MSOLQXFVSA-N 0 0 339.395 3.349 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCc2cccnc21 ZINC000598949373 460099116 /nfs/dbraw/zinc/09/91/16/460099116.db2.gz AGMSEVXBHCRANF-GFCCVEGCSA-N 0 0 345.786 3.411 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594095614 460099844 /nfs/dbraw/zinc/09/98/44/460099844.db2.gz ZODDCAIJWLNZST-GDBMZVCRSA-N 0 0 349.387 3.073 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598967052 460108773 /nfs/dbraw/zinc/10/87/73/460108773.db2.gz MKFBOMNFMUFACX-XGACYXMMSA-N 0 0 347.415 3.491 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597917837 460109737 /nfs/dbraw/zinc/10/97/37/460109737.db2.gz BLLYVGXDTCNNTM-CYBMUJFWSA-N 0 0 343.383 3.078 10 5 EGBERN COc1c(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)cccc1[N+](=O)[O-] ZINC000597918585 460110875 /nfs/dbraw/zinc/11/08/75/460110875.db2.gz IDDZTYGNJSDMFK-LBPRGKRZSA-N 0 0 346.358 3.412 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000597921727 460112592 /nfs/dbraw/zinc/11/25/92/460112592.db2.gz IYIVEWVYIRIHDQ-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597921326 460112763 /nfs/dbraw/zinc/11/27/63/460112763.db2.gz XQBMCXIZENHLCM-AAEUAGOBSA-N 0 0 338.379 3.159 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597925176 460113912 /nfs/dbraw/zinc/11/39/12/460113912.db2.gz SSMOYTGMACNUPM-HNAYVOBHSA-N 0 0 346.427 3.191 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610309601 460115320 /nfs/dbraw/zinc/11/53/20/460115320.db2.gz GVGBNHDTTCDZOR-INIZCTEOSA-N 0 0 347.390 3.412 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594135859 460120797 /nfs/dbraw/zinc/12/07/97/460120797.db2.gz RBWLVNIUMFPPAQ-JOCQHMNTSA-N 0 0 335.404 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594160203 460132909 /nfs/dbraw/zinc/13/29/09/460132909.db2.gz DGLLZKLIIMHAPM-GXFFZTMASA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164251 460135447 /nfs/dbraw/zinc/13/54/47/460135447.db2.gz HNXQPKRLYBTGTQ-JQWIXIFHSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594166582 460136223 /nfs/dbraw/zinc/13/62/23/460136223.db2.gz WVUTXAXAPSBOTB-QWHCGFSZSA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594173604 460136817 /nfs/dbraw/zinc/13/68/17/460136817.db2.gz CJUDTERQHVIZGD-VVLHAWIVSA-N 0 0 332.400 3.162 10 5 EGBERN CC[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594174430 460137333 /nfs/dbraw/zinc/13/73/33/460137333.db2.gz HAFRLFXCXSBULJ-JSGCOSHPSA-N 0 0 338.429 3.151 10 5 EGBERN CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594184429 460140035 /nfs/dbraw/zinc/14/00/35/460140035.db2.gz XEUAHLKSLVVFBB-HIFRSBDPSA-N 0 0 338.429 3.394 10 5 EGBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000599056315 460143479 /nfs/dbraw/zinc/14/34/79/460143479.db2.gz WRWSKPUJIKVMDP-TVQRCGJNSA-N 0 0 341.289 3.299 10 5 EGBERN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cscn1 ZINC000598015085 460144659 /nfs/dbraw/zinc/14/46/59/460144659.db2.gz QWZINRHLLHWRSE-NSHDSACASA-N 0 0 346.412 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2cscn2)c1 ZINC000598014944 460144978 /nfs/dbraw/zinc/14/49/78/460144978.db2.gz PIERBFZLCPLUHH-LLVKDONJSA-N 0 0 335.385 3.006 10 5 EGBERN CSc1ccncc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589840140 460148058 /nfs/dbraw/zinc/14/80/58/460148058.db2.gz RSDLFZISWVZHHS-UHFFFAOYSA-N 0 0 339.323 3.171 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594203374 460149204 /nfs/dbraw/zinc/14/92/04/460149204.db2.gz LLPZETSHIVPBJS-ZDUSSCGKSA-N 0 0 348.399 3.167 10 5 EGBERN COc1cc(NCc2cc(C(F)(F)F)on2)c(F)cc1[N+](=O)[O-] ZINC000599083396 460154956 /nfs/dbraw/zinc/15/49/56/460154956.db2.gz LCZWIQVLOJCHND-UHFFFAOYSA-N 0 0 335.213 3.361 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000599083887 460155119 /nfs/dbraw/zinc/15/51/19/460155119.db2.gz NFJKNCVANNSPKB-USXIJHARSA-N 0 0 342.782 3.450 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594213757 460155346 /nfs/dbraw/zinc/15/53/46/460155346.db2.gz ZTGVIRKUDMFOBT-OCCSQVGLSA-N 0 0 337.420 3.406 10 5 EGBERN C[C@H](C(=O)N1CC2(CCC2)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598055396 460156950 /nfs/dbraw/zinc/15/69/50/460156950.db2.gz SHSHDXJUXUWZAS-RYUDHWBXSA-N 0 0 336.363 3.007 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598067896 460158765 /nfs/dbraw/zinc/15/87/65/460158765.db2.gz QWRZVJOHOHFJKQ-LZQZEXGQSA-N 0 0 346.427 3.049 10 5 EGBERN O=C(c1cc(NCC[C@H]2CCCOC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599116343 460164976 /nfs/dbraw/zinc/16/49/76/460164976.db2.gz HDAHZQSMOJUFRO-CQSZACIVSA-N 0 0 347.415 3.059 10 5 EGBERN COc1cc(NC[C@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000599117790 460165114 /nfs/dbraw/zinc/16/51/14/460165114.db2.gz RJZDXWXIQZAVJD-LBPRGKRZSA-N 0 0 348.256 3.155 10 5 EGBERN COc1cc(NCc2c(C(F)(F)F)cnn2C)c([N+](=O)[O-])cc1F ZINC000599123712 460167550 /nfs/dbraw/zinc/16/75/50/460167550.db2.gz FXWQIRAQOSYZOV-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN COc1c(C)cccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000594241740 460168036 /nfs/dbraw/zinc/16/80/36/460168036.db2.gz HDBRMJANEUDGOG-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599126654 460168544 /nfs/dbraw/zinc/16/85/44/460168544.db2.gz QMWJZQCBSOAAGO-QWHCGFSZSA-N 0 0 332.381 3.085 10 5 EGBERN CCC(C)(C)OC1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000599136019 460171806 /nfs/dbraw/zinc/17/18/06/460171806.db2.gz CSCYTKWKIQQBMH-UHFFFAOYSA-N 0 0 344.209 3.146 10 5 EGBERN Cc1cccc(NCC2(OCCO)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599139773 460172423 /nfs/dbraw/zinc/17/24/23/460172423.db2.gz UYZJUVCCHBLXIH-UHFFFAOYSA-N 0 0 344.358 3.272 10 5 EGBERN COc1ccc(CN2CC[C@@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139321 460172493 /nfs/dbraw/zinc/17/24/93/460172493.db2.gz KBHGEIIJESQPOI-CYBMUJFWSA-N 0 0 333.413 3.351 10 5 EGBERN CC[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610525928 460175161 /nfs/dbraw/zinc/17/51/61/460175161.db2.gz JDLBVEPGHUBCJW-ZDUSSCGKSA-N 0 0 330.388 3.497 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530759 460177338 /nfs/dbraw/zinc/17/73/38/460177338.db2.gz AQRJYZLHLULGSU-IAGOWNOFSA-N 0 0 349.431 3.286 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594283100 460179708 /nfs/dbraw/zinc/17/97/08/460179708.db2.gz NYPQEFCWICCFDA-GOEBONIOSA-N 0 0 335.404 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@@H](CCF)C3)n2)cc1 ZINC000599168459 460183975 /nfs/dbraw/zinc/18/39/75/460183975.db2.gz DXQPZPQXBYGPRZ-ZDUSSCGKSA-N 0 0 337.376 3.283 10 5 EGBERN Cn1ccnc1[C@H]1N(c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000576670790 460189843 /nfs/dbraw/zinc/18/98/43/460189843.db2.gz SDCYROZNKFAWNS-MRXNPFEDSA-N 0 0 337.383 3.464 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599180104 460190352 /nfs/dbraw/zinc/19/03/52/460190352.db2.gz JOURTIUZKPALSS-ZWNOBZJWSA-N 0 0 327.178 3.337 10 5 EGBERN COc1ccc(Cc2nc(-c3coc(C4CC4)n3)no2)cc1[N+](=O)[O-] ZINC000599192294 460194567 /nfs/dbraw/zinc/19/45/67/460194567.db2.gz RLRZKIPBXTVDKH-UHFFFAOYSA-N 0 0 342.311 3.110 10 5 EGBERN COc1ccc([C@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599193253 460194843 /nfs/dbraw/zinc/19/48/43/460194843.db2.gz INOZWVHBUBSINK-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN O=[N+]([O-])c1ccccc1NCc1nc(-c2coc(C3CC3)n2)no1 ZINC000599193709 460194939 /nfs/dbraw/zinc/19/49/39/460194939.db2.gz WBMONMYCABBKBX-UHFFFAOYSA-N 0 0 327.300 3.122 10 5 EGBERN Cc1nc(N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000576699194 460195752 /nfs/dbraw/zinc/19/57/52/460195752.db2.gz JYPGLTMKYSYBDP-YPMHNXCESA-N 0 0 335.404 3.102 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4CC[C@@H](O)[C@@H]43)n2)cc1 ZINC000599196482 460195798 /nfs/dbraw/zinc/19/57/98/460195798.db2.gz SBELFBBUNCZFBZ-NILFDRSVSA-N 0 0 331.397 3.068 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3cccs3)C2)c1 ZINC000599195828 460196375 /nfs/dbraw/zinc/19/63/75/460196375.db2.gz IZCPPGDMUGZUAH-UHFFFAOYSA-N 0 0 332.381 3.122 10 5 EGBERN C[C@@H]1CC(F)(F)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000599207289 460199467 /nfs/dbraw/zinc/19/94/67/460199467.db2.gz VAZBDYGIQZCWTA-SNVBAGLBSA-N 0 0 337.330 3.014 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOc3ccc(C)cc3C2)c1 ZINC000576727742 460201531 /nfs/dbraw/zinc/20/15/31/460201531.db2.gz WXZCYXYBDVRLKS-UHFFFAOYSA-N 0 0 342.351 3.089 10 5 EGBERN C[C@@]1(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598216677 460208948 /nfs/dbraw/zinc/20/89/48/460208948.db2.gz SGVLLGHWGYLKQM-OAHLLOKOSA-N 0 0 339.342 3.334 10 5 EGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000594411717 460210998 /nfs/dbraw/zinc/21/09/98/460210998.db2.gz VDKUVBPOCIGKMI-GOEBONIOSA-N 0 0 331.372 3.154 10 5 EGBERN CCn1ncc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000602992715 460214477 /nfs/dbraw/zinc/21/44/77/460214477.db2.gz DDCTXOFVTIKRII-LLVKDONJSA-N 0 0 328.372 3.180 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](CCF)C1 ZINC000598232196 460215360 /nfs/dbraw/zinc/21/53/60/460215360.db2.gz ZWAACFZIUORATO-SNVBAGLBSA-N 0 0 346.305 3.408 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000622194840 460219206 /nfs/dbraw/zinc/21/92/06/460219206.db2.gz AUYFARZEHDKUIV-NSHDSACASA-N 0 0 342.345 3.456 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000610709641 460221723 /nfs/dbraw/zinc/22/17/23/460221723.db2.gz HBZDIQAMVWPQOK-CQSZACIVSA-N 0 0 332.743 3.420 10 5 EGBERN Cc1ccc(NC(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000611159342 460298232 /nfs/dbraw/zinc/29/82/32/460298232.db2.gz BMPAOSNUJHWLRR-UHFFFAOYSA-N 0 0 325.275 3.218 10 5 EGBERN COC(=O)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671625 460304438 /nfs/dbraw/zinc/30/44/38/460304438.db2.gz ZSAMNZAEPKYWHQ-FZKQIMNGSA-N 0 0 340.379 3.428 10 5 EGBERN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000611202926 460307133 /nfs/dbraw/zinc/30/71/33/460307133.db2.gz ICPIBOLALUGXDB-UHFFFAOYSA-N 0 0 349.431 3.077 10 5 EGBERN O=C(Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611223220 460310884 /nfs/dbraw/zinc/31/08/84/460310884.db2.gz HRYJISICJORIIB-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN Cc1c(CC(=O)N2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000611256026 460319159 /nfs/dbraw/zinc/31/91/59/460319159.db2.gz FOLFMHPEIMEIKD-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN CO[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832490 460343647 /nfs/dbraw/zinc/34/36/47/460343647.db2.gz DJSUTUXVPVFGSH-BDJLRTHQSA-N 0 0 344.371 3.080 10 5 EGBERN CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832819 460343788 /nfs/dbraw/zinc/34/37/88/460343788.db2.gz KKYQYQMRYPMUHE-MRXNPFEDSA-N 0 0 344.371 3.032 10 5 EGBERN CO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1(C)C ZINC000599832041 460343800 /nfs/dbraw/zinc/34/38/00/460343800.db2.gz SBIIRDHANFQPMH-HUUCEWRRSA-N 0 0 344.371 3.078 10 5 EGBERN C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831537 460344030 /nfs/dbraw/zinc/34/40/30/460344030.db2.gz OJGLWDDETHTRQW-NWDGAFQWSA-N 0 0 344.371 3.080 10 5 EGBERN CCC[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOC1 ZINC000599836556 460345427 /nfs/dbraw/zinc/34/54/27/460345427.db2.gz UJPHCULJFBEESO-KRWDZBQOSA-N 0 0 344.371 3.224 10 5 EGBERN COc1ccc(CNc2cccnc2[N+](=O)[O-])cc1OC(F)F ZINC000603850457 460347867 /nfs/dbraw/zinc/34/78/67/460347867.db2.gz GVEQHFTVTGOOEA-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431654 460354279 /nfs/dbraw/zinc/35/42/79/460354279.db2.gz VHWGFKIKNKQGDD-KOLCDFICSA-N 0 0 346.305 3.139 10 5 EGBERN COc1c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000619437596 460356000 /nfs/dbraw/zinc/35/60/00/460356000.db2.gz HJMSGAXWPFOBCG-CQSZACIVSA-N 0 0 348.399 3.167 10 5 EGBERN COc1c(C(=O)N2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000619441520 460357754 /nfs/dbraw/zinc/35/77/54/460357754.db2.gz VBAYSNLHMCUPTG-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000619534959 460376810 /nfs/dbraw/zinc/37/68/10/460376810.db2.gz KDXAWHWBIFSWDX-MVVQUZEJSA-N 0 0 346.427 3.266 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 ZINC000619549296 460380900 /nfs/dbraw/zinc/38/09/00/460380900.db2.gz WOKSQSJLEIUMBP-CABCVRRESA-N 0 0 346.431 3.200 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611507084 460381832 /nfs/dbraw/zinc/38/18/32/460381832.db2.gz XOCNETNGKHIPBI-SCVCMEIPSA-N 0 0 344.770 3.222 10 5 EGBERN C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](c2ccco2)C1 ZINC000611525712 460388578 /nfs/dbraw/zinc/38/85/78/460388578.db2.gz DZNOJVRYVBGFEE-NHYWBVRUSA-N 0 0 331.372 3.240 10 5 EGBERN C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](c2ccco2)C1 ZINC000611525707 460388608 /nfs/dbraw/zinc/38/86/08/460388608.db2.gz DZNOJVRYVBGFEE-ABAIWWIYSA-N 0 0 331.372 3.240 10 5 EGBERN Cc1sc(C(=O)NCc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000604284682 460400046 /nfs/dbraw/zinc/40/00/46/460400046.db2.gz FUZLFZDXQWTYRE-UHFFFAOYSA-N 0 0 345.424 3.495 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611585100 460409777 /nfs/dbraw/zinc/40/97/77/460409777.db2.gz DLHHVBQAJSFMOK-JTQLQIEISA-N 0 0 346.355 3.161 10 5 EGBERN CC1(C)CCC[C@H]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600160489 460414057 /nfs/dbraw/zinc/41/40/57/460414057.db2.gz SWHQTBOMHFHITC-NSHDSACASA-N 0 0 334.372 3.270 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCCOC1 ZINC000600173730 460419949 /nfs/dbraw/zinc/41/99/49/460419949.db2.gz SPZRPEPUAVFYJK-CHWSQXEVSA-N 0 0 338.429 3.008 10 5 EGBERN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000611700753 460432473 /nfs/dbraw/zinc/43/24/73/460432473.db2.gz DTUJRQKFGWRSGK-SNVBAGLBSA-N 0 0 338.323 3.440 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cccc(COCc2ccco2)c1 ZINC000604560574 460448319 /nfs/dbraw/zinc/44/83/19/460448319.db2.gz VDRDPYBCYUUIDK-UHFFFAOYSA-N 0 0 339.351 3.334 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271687 460462572 /nfs/dbraw/zinc/46/25/72/460462572.db2.gz NBXBZBQGWZDJPC-OLZOCXBDSA-N 0 0 340.832 3.287 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccn1)C1CCC1 ZINC000600302364 460467761 /nfs/dbraw/zinc/46/77/61/460467761.db2.gz PNSZWCVCGWCYND-GOSISDBHSA-N 0 0 325.368 3.190 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000600303678 460468337 /nfs/dbraw/zinc/46/83/37/460468337.db2.gz ZWQNBYOUAUKJEH-SFHVURJKSA-N 0 0 341.367 3.026 10 5 EGBERN C[C@@H](C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600370334 460485155 /nfs/dbraw/zinc/48/51/55/460485155.db2.gz OMHMHVCTROCPAW-LLVKDONJSA-N 0 0 332.331 3.132 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000600385905 460487739 /nfs/dbraw/zinc/48/77/39/460487739.db2.gz DELKUNWFBWYQSC-UHFFFAOYSA-N 0 0 333.310 3.117 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165729 460738877 /nfs/dbraw/zinc/73/88/77/460738877.db2.gz FTSBBGVLLBBQCC-OIBJUYFYSA-N 0 0 342.277 3.281 10 5 EGBERN COc1cc2c(cc1Cl)CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC000601168993 460739937 /nfs/dbraw/zinc/73/99/37/460739937.db2.gz HZKYXDGWWFVNKY-UHFFFAOYSA-N 0 0 337.738 3.354 10 5 EGBERN O=C(NCC1CCSCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601170666 460740339 /nfs/dbraw/zinc/74/03/39/460740339.db2.gz SYKNUBQCWFBECH-UHFFFAOYSA-N 0 0 334.441 3.276 10 5 EGBERN COCC1(C2CC2)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000601226166 460756449 /nfs/dbraw/zinc/75/64/49/460756449.db2.gz LROIFZJEGYUKSQ-UHFFFAOYSA-N 0 0 330.306 3.476 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2cnncc21 ZINC000617149249 460760019 /nfs/dbraw/zinc/76/00/19/460760019.db2.gz SROFESRWKMABGG-UHFFFAOYSA-N 0 0 342.742 3.373 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(F)(F)F ZINC000601237258 460761069 /nfs/dbraw/zinc/76/10/69/460761069.db2.gz AWCXFBFIQLSXNK-ANLVUFKYSA-N 0 0 343.099 3.081 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(F)(F)F ZINC000601237261 460761416 /nfs/dbraw/zinc/76/14/16/460761416.db2.gz AWCXFBFIQLSXNK-SSDLBLMSSA-N 0 0 343.099 3.081 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(Cc2ccc3c(c2)OCCO3)no1 ZINC000612894024 460765196 /nfs/dbraw/zinc/76/51/96/460765196.db2.gz MWJPUEKRROMBOZ-UHFFFAOYSA-N 0 0 339.307 3.007 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601253655 460766511 /nfs/dbraw/zinc/76/65/11/460766511.db2.gz WEUUXSHUVSLIFL-CQSZACIVSA-N 0 0 326.356 3.401 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000601309878 460783504 /nfs/dbraw/zinc/78/35/04/460783504.db2.gz KBMVDHKMBWYJDX-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cncc(F)c1 ZINC000601411848 460807273 /nfs/dbraw/zinc/80/72/73/460807273.db2.gz BQPPLMONDCVDAZ-GFCCVEGCSA-N 0 0 343.358 3.428 10 5 EGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccco1 ZINC000601481904 460819496 /nfs/dbraw/zinc/81/94/96/460819496.db2.gz LSLOVPUWFLXOMX-LBPRGKRZSA-N 0 0 342.398 3.021 10 5 EGBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ncccc1F ZINC000601541476 460827601 /nfs/dbraw/zinc/82/76/01/460827601.db2.gz NYNPTLYBNHBDKJ-GFCCVEGCSA-N 0 0 343.358 3.428 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000613114328 460832575 /nfs/dbraw/zinc/83/25/75/460832575.db2.gz YFYNMKHJHMXGRL-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ncccc2C1 ZINC000613188402 460856415 /nfs/dbraw/zinc/85/64/15/460856415.db2.gz XSNZLFJCAMEIRX-HNNXBMFYSA-N 0 0 339.395 3.143 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1ccncc1 ZINC000613185481 460856604 /nfs/dbraw/zinc/85/66/04/460856604.db2.gz IXFJUOMBYLHHRP-GOEBONIOSA-N 0 0 341.411 3.478 10 5 EGBERN CSC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601688943 460869990 /nfs/dbraw/zinc/86/99/90/460869990.db2.gz OYGGWCBXPIHXCU-UHFFFAOYSA-N 0 0 334.441 3.371 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2nccs2)CC1 ZINC000601743372 460886848 /nfs/dbraw/zinc/88/68/48/460886848.db2.gz PEZGUPPRHPSGHT-UHFFFAOYSA-N 0 0 331.397 3.146 10 5 EGBERN C[C@](CO)(NC(=O)C1CC2(C1)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601776830 460895193 /nfs/dbraw/zinc/89/51/93/460895193.db2.gz JGRCWMDFDHIEPU-GOSISDBHSA-N 0 0 346.427 3.279 10 5 EGBERN C[C@@](CO)(NC(=O)[C@@H]1CCCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601778652 460895944 /nfs/dbraw/zinc/89/59/44/460895944.db2.gz PACDRCCUTGUPSX-YJBOKZPZSA-N 0 0 334.416 3.135 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn2c1CCCC2 ZINC000601826699 460913345 /nfs/dbraw/zinc/91/33/45/460913345.db2.gz WYKJOIVGZYQTQW-UHFFFAOYSA-N 0 0 334.763 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(Cc2ccccc2)C(C)C)n1 ZINC000601838291 460919287 /nfs/dbraw/zinc/91/92/87/460919287.db2.gz SAIFVCAMLYBFHC-SFHVURJKSA-N 0 0 344.415 3.198 10 5 EGBERN CCc1ccc(C(=O)NCc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000601854225 460926188 /nfs/dbraw/zinc/92/61/88/460926188.db2.gz CAIPMNBWLDXOFX-UHFFFAOYSA-N 0 0 340.379 3.160 10 5 EGBERN Cc1cc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc([N+](=O)[O-])c1 ZINC000601857058 460928512 /nfs/dbraw/zinc/92/85/12/460928512.db2.gz NMSUIEHPBNKORN-INIZCTEOSA-N 0 0 332.400 3.372 10 5 EGBERN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000601926881 460947020 /nfs/dbraw/zinc/94/70/20/460947020.db2.gz HMRKGWRRIUTOSA-DLBZAZTESA-N 0 0 326.352 3.483 10 5 EGBERN COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)c1 ZINC000154221603 533736024 /nfs/dbraw/zinc/73/60/24/533736024.db2.gz BRDGJJUTMIUUHR-KRWDZBQOSA-N 0 0 332.331 3.320 10 5 EGBERN COC(=O)c1cc(NCc2ccc([C@H](C)O)cc2)cc(C)c1[N+](=O)[O-] ZINC000180426715 533893836 /nfs/dbraw/zinc/89/38/36/533893836.db2.gz STSSYHDKKIHRKX-LBPRGKRZSA-N 0 0 344.367 3.355 10 5 EGBERN C[C@@H](SC1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000131262382 533985245 /nfs/dbraw/zinc/98/52/45/533985245.db2.gz YUEHSITXEUGZAG-SECBINFHSA-N 0 0 344.820 3.487 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCc1ccccn1 ZINC000178958662 534321771 /nfs/dbraw/zinc/32/17/71/534321771.db2.gz MVSDRQHLWDVOBR-UHFFFAOYSA-N 0 0 328.372 3.361 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171506783 534340780 /nfs/dbraw/zinc/34/07/80/534340780.db2.gz WUDSWZFWXYXYCT-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN CC(C)(C)OCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000158594336 526547644 /nfs/dbraw/zinc/54/76/44/526547644.db2.gz CPUNRIZJBUDCKG-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN O=C(COC1CCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356804847 526923279 /nfs/dbraw/zinc/92/32/79/526923279.db2.gz IPHQMHPGXSOVMZ-UHFFFAOYSA-N 0 0 343.177 3.255 10 5 EGBERN CCOc1cccc(NC[C@@H](O)c2ccccc2OC)c1[N+](=O)[O-] ZINC000184057401 528673432 /nfs/dbraw/zinc/67/34/32/528673432.db2.gz GIQLRQUKRNCJJS-CQSZACIVSA-N 0 0 332.356 3.148 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172811581 546999395 /nfs/dbraw/zinc/99/93/95/546999395.db2.gz KFXQAHXHDJBNPC-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCOCc2ccccc2)c1 ZINC000218610062 547240629 /nfs/dbraw/zinc/24/06/29/547240629.db2.gz NFKJAAKURKDOTJ-UHFFFAOYSA-N 0 0 330.340 3.010 10 5 EGBERN COC(=O)c1ccc(OCc2ccc3[nH]c(C)nc3c2)cc1[N+](=O)[O-] ZINC000613453037 548120755 /nfs/dbraw/zinc/12/07/55/548120755.db2.gz PDWUUSKXZZAIPE-UHFFFAOYSA-N 0 0 341.323 3.145 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCC1CCSCC1 ZINC000747141215 574544151 /nfs/dbraw/zinc/54/41/51/574544151.db2.gz JFPQVOHVNKRVIO-UHFFFAOYSA-N 0 0 338.429 3.473 10 5 EGBERN CCS[C@@H](C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000727632663 574679230 /nfs/dbraw/zinc/67/92/30/574679230.db2.gz XNXPUEAAPLSVBL-OAHLLOKOSA-N 0 0 340.445 3.352 10 5 EGBERN C[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000730298482 574967681 /nfs/dbraw/zinc/96/76/81/574967681.db2.gz NGTUXOMUMTWUQL-SSDOTTSWSA-N 0 0 341.291 3.363 10 5 EGBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)nc2ccccc12 ZINC000731519667 575078061 /nfs/dbraw/zinc/07/80/61/575078061.db2.gz RVZQKHDTTIVODO-UHFFFAOYSA-N 0 0 341.298 3.343 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000732584184 575277404 /nfs/dbraw/zinc/27/74/04/575277404.db2.gz LQPCFGLZXSRMGD-CYBMUJFWSA-N 0 0 327.336 3.200 10 5 EGBERN O=[N+]([O-])c1ccccc1CNCc1nc(-c2ccncc2)cs1 ZINC000733331739 575328911 /nfs/dbraw/zinc/32/89/11/575328911.db2.gz RQCGPVHZRDFAHF-UHFFFAOYSA-N 0 0 326.381 3.403 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000735487029 575668575 /nfs/dbraw/zinc/66/85/75/575668575.db2.gz PHQDPJZVCSHDNK-ZDUSSCGKSA-N 0 0 336.392 3.191 10 5 EGBERN O=C(Cn1ncc2ccccc21)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735901989 575733931 /nfs/dbraw/zinc/73/39/31/575733931.db2.gz YTVQGZCCBCKOLL-UHFFFAOYSA-N 0 0 345.742 3.341 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])nc2)c(Br)c1 ZINC000737414581 576223633 /nfs/dbraw/zinc/22/36/33/576223633.db2.gz NFTQJVTVOXPNFB-UHFFFAOYSA-N 0 0 340.089 3.453 10 5 EGBERN Cc1ccc(NCCCNc2ccc([N+](=O)[O-])nc2)c([N+](=O)[O-])c1 ZINC000739899025 576516860 /nfs/dbraw/zinc/51/68/60/576516860.db2.gz ZTPQWTPZYZJJSV-UHFFFAOYSA-N 0 0 331.332 3.121 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(F)ccc12 ZINC000742894610 576797226 /nfs/dbraw/zinc/79/72/26/576797226.db2.gz YDIXUHDSDPMLIN-UHFFFAOYSA-N 0 0 344.298 3.451 10 5 EGBERN COc1cccc([C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000744327709 576825591 /nfs/dbraw/zinc/82/55/91/576825591.db2.gz HSWJDIZKTBUHPE-SNVBAGLBSA-N 0 0 345.307 3.250 10 5 EGBERN C[C@@H](OC(=O)/C=C/C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000745551679 576849907 /nfs/dbraw/zinc/84/99/07/576849907.db2.gz DJNUWBZNHPGXHP-ILFKPUCNSA-N 0 0 338.747 3.085 10 5 EGBERN Cc1nc(N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000895300218 1309275753 /nfs/dbraw/zinc/27/57/53/1309275753.db2.gz YPOSWRSGLSYLDU-UONOGXRCSA-N 0 0 347.415 3.102 10 5 EGBERN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc(F)cc1F ZINC000096878979 1292955473 /nfs/dbraw/zinc/95/54/73/1292955473.db2.gz OBXDDWWVYXZIEI-RJRFIUFISA-N 0 0 348.261 3.254 10 5 EGBERN C[C@@H](N(C)C(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000097030013 1292956373 /nfs/dbraw/zinc/95/63/73/1292956373.db2.gz YPCVXZGUMURFAN-ZHRWSRJISA-N 0 0 348.399 3.368 10 5 EGBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000171312927 1294402542 /nfs/dbraw/zinc/40/25/42/1294402542.db2.gz FMGWQVRLHSQVLA-OAHLLOKOSA-N 0 0 334.759 3.366 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](OC)CC[C@H]1C ZINC000870722031 1296044965 /nfs/dbraw/zinc/04/49/65/1296044965.db2.gz LBIXQFDYXOWWCE-UNEWFSDZSA-N 0 0 334.416 3.189 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCc2sccc21 ZINC000870829263 1296106495 /nfs/dbraw/zinc/10/64/95/1296106495.db2.gz JQCLYWDGEQDMOH-OVGLSYRBSA-N 0 0 347.396 3.220 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(Cl)c1F ZINC000870830200 1296107961 /nfs/dbraw/zinc/10/79/61/1296107961.db2.gz WKIKKBQXBIIRTO-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN CCC[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(=O)OCC ZINC000216222027 1296119087 /nfs/dbraw/zinc/11/90/87/1296119087.db2.gz VAUMALDDQNXOKK-LBPRGKRZSA-N 0 0 346.177 3.468 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000871002783 1296174447 /nfs/dbraw/zinc/17/44/47/1296174447.db2.gz WUFROZJDZSMSMO-UHFFFAOYSA-N 0 0 331.347 3.356 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000871092650 1296220218 /nfs/dbraw/zinc/22/02/18/1296220218.db2.gz VQSDYDYFWWCTMN-LSJOCFKGSA-N 0 0 344.820 3.026 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000871122076 1296233906 /nfs/dbraw/zinc/23/39/06/1296233906.db2.gz HTOCNNSRMDHIBE-CABCVRRESA-N 0 0 336.363 3.120 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000871301474 1296331737 /nfs/dbraw/zinc/33/17/37/1296331737.db2.gz HKALAEVIWYGACU-LGNMEBTLSA-N 0 0 344.411 3.320 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871338465 1296360782 /nfs/dbraw/zinc/36/07/82/1296360782.db2.gz KDBGJOUDLOYYJV-INIZCTEOSA-N 0 0 332.400 3.467 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1cc(C(F)(F)F)co1)CCCC2 ZINC000871675898 1296475781 /nfs/dbraw/zinc/47/57/81/1296475781.db2.gz QXADIDRPZBIXPO-UHFFFAOYSA-N 0 0 342.273 3.295 10 5 EGBERN C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090506 1296728739 /nfs/dbraw/zinc/72/87/39/1296728739.db2.gz QHIZFTZRRBFYBJ-MEDUHNTESA-N 0 0 343.358 3.211 10 5 EGBERN COCC(C)(C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000872104745 1296732267 /nfs/dbraw/zinc/73/22/67/1296732267.db2.gz OKRKUKWQHXUNNU-MRXNPFEDSA-N 0 0 346.431 3.070 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cc(C)cc(C)c2C1 ZINC000302460481 1296800243 /nfs/dbraw/zinc/80/02/43/1296800243.db2.gz UMFUZWZDINWLJW-UHFFFAOYSA-N 0 0 339.395 3.134 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000872751837 1297091219 /nfs/dbraw/zinc/09/12/19/1297091219.db2.gz AQNKQZGNUCQJCU-OTYXRUKQSA-N 0 0 346.305 3.344 10 5 EGBERN Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312237221 1297114807 /nfs/dbraw/zinc/11/48/07/1297114807.db2.gz NXHRVOKJNANTNP-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)O[C@@H]1CCCc2nccnc21 ZINC000873551384 1297577062 /nfs/dbraw/zinc/57/70/62/1297577062.db2.gz WGCKFQZWTSTEDR-CQSZACIVSA-N 0 0 327.340 3.236 10 5 EGBERN COC(=O)[C@H]1CCC[C@@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000873560460 1297582063 /nfs/dbraw/zinc/58/20/63/1297582063.db2.gz UKFGXQLFMGVYNS-RWMBFGLXSA-N 0 0 335.356 3.178 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCOC2(CCCC2)C1 ZINC000873580848 1297606700 /nfs/dbraw/zinc/60/67/00/1297606700.db2.gz MTZDRYGYYPBYOU-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000694912970 1298155964 /nfs/dbraw/zinc/15/59/64/1298155964.db2.gz QVSFYUZHJRXLAP-MNOVXSKESA-N 0 0 343.221 3.357 10 5 EGBERN CC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C(C)(C)C)C1 ZINC000876341224 1298708592 /nfs/dbraw/zinc/70/85/92/1298708592.db2.gz DLVBOCGHPYIFEE-ZDUSSCGKSA-N 0 0 347.415 3.089 10 5 EGBERN CN(CC1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878090701 1299742531 /nfs/dbraw/zinc/74/25/31/1299742531.db2.gz ICJJZNKFEQXGSV-UHFFFAOYSA-N 0 0 348.399 3.408 10 5 EGBERN C[C@@H](NCc1csc(-c2ccn(C)n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000878355142 1299940562 /nfs/dbraw/zinc/94/05/62/1299940562.db2.gz FXYGMOMECJZQMA-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN C[C@H]1COCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C(C)(C)C)C1 ZINC000880709223 1301234501 /nfs/dbraw/zinc/23/45/01/1301234501.db2.gz KNMASVHLPLUGEE-GFCCVEGCSA-N 0 0 335.404 3.393 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000881696264 1301690745 /nfs/dbraw/zinc/69/07/45/1301690745.db2.gz VSRAPRXCNKCWMH-NSHDSACASA-N 0 0 349.437 3.403 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000881696263 1301690829 /nfs/dbraw/zinc/69/08/29/1301690829.db2.gz VSRAPRXCNKCWMH-LLVKDONJSA-N 0 0 349.437 3.403 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2nccs2)C1 ZINC000881709795 1301701788 /nfs/dbraw/zinc/70/17/88/1301701788.db2.gz VELYEGVRTWOIEM-WONIAPNHSA-N 0 0 343.408 3.471 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000881827356 1301732718 /nfs/dbraw/zinc/73/27/18/1301732718.db2.gz NAAXESAMWQEICW-LLVKDONJSA-N 0 0 346.305 3.345 10 5 EGBERN CC(=O)c1c(NC[C@H](n2cccn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000882649223 1302044212 /nfs/dbraw/zinc/04/42/12/1302044212.db2.gz WYRBSKPFRHFQOV-LBPRGKRZSA-N 0 0 342.277 3.209 10 5 EGBERN CC(=O)c1ccc(NC[C@H]2CCC3(CCOCC3)CO2)c([N+](=O)[O-])c1 ZINC000882788256 1302105725 /nfs/dbraw/zinc/10/57/25/1302105725.db2.gz OBMHXCVUYAVMDB-OAHLLOKOSA-N 0 0 348.399 3.185 10 5 EGBERN C[C@H](NC(=O)N1CC(CC2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883715316 1302560663 /nfs/dbraw/zinc/56/06/63/1302560663.db2.gz HHCCCVYWHODPFJ-ZDUSSCGKSA-N 0 0 347.415 3.114 10 5 EGBERN C/C(=C/C(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000887552186 1303852245 /nfs/dbraw/zinc/85/22/45/1303852245.db2.gz OLFMRZUYTWGVSF-GSTOJPGVSA-N 0 0 332.400 3.056 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000888017216 1304015269 /nfs/dbraw/zinc/01/52/69/1304015269.db2.gz JITFPRJYCSVVIY-VPUINMBXSA-N 0 0 328.290 3.409 10 5 EGBERN Cc1cnc(F)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000888392977 1304144707 /nfs/dbraw/zinc/14/47/07/1304144707.db2.gz HZZWHGWFBLFNJO-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000891185567 1304980472 /nfs/dbraw/zinc/98/04/72/1304980472.db2.gz UEVAYDQVJNTKDH-SARSIEBVSA-N 0 0 332.425 3.210 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)c1C ZINC000893162403 1305739524 /nfs/dbraw/zinc/73/95/24/1305739524.db2.gz KTQBEODVILCOIN-YOEHRIQHSA-N 0 0 332.400 3.147 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000893529143 1305952415 /nfs/dbraw/zinc/95/24/15/1305952415.db2.gz OPEJFGUJOQIFDK-GFCCVEGCSA-N 0 0 346.412 3.113 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893852755 1306098285 /nfs/dbraw/zinc/09/82/85/1306098285.db2.gz CFEMAFPIEQBHDS-UKRRQHHQSA-N 0 0 334.416 3.194 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000893861160 1306101950 /nfs/dbraw/zinc/10/19/50/1306101950.db2.gz FYZJAMKZGQNWPT-CJNGLKHVSA-N 0 0 334.416 3.194 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893863565 1306104525 /nfs/dbraw/zinc/10/45/25/1306104525.db2.gz FZAXFWIQAONOAT-GXFFZTMASA-N 0 0 326.780 3.183 10 5 EGBERN C/C(=C\C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000893909189 1306124376 /nfs/dbraw/zinc/12/43/76/1306124376.db2.gz KVNGXMZAJFKPEB-SICOMBFOSA-N 0 0 330.384 3.216 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000894386592 1306370522 /nfs/dbraw/zinc/37/05/22/1306370522.db2.gz KGAPHDQPIIXFKD-WFASDCNBSA-N 0 0 342.317 3.328 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC3(CCC3)CO2)c1 ZINC000894417348 1308868555 /nfs/dbraw/zinc/86/85/55/1308868555.db2.gz ZBCDTGMPRKGFMH-LLVKDONJSA-N 0 0 336.413 3.006 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894704748 1309029209 /nfs/dbraw/zinc/02/92/09/1309029209.db2.gz PREDXASICNBULQ-FZMZJTMJSA-N 0 0 338.791 3.198 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCS[C@H](C(F)(F)F)C1 ZINC000895598774 1309423547 /nfs/dbraw/zinc/42/35/47/1309423547.db2.gz QQGXZOOKYOTQQO-LBPRGKRZSA-N 0 0 334.319 3.282 10 5 EGBERN C[C@H](CNC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000896468995 1309871459 /nfs/dbraw/zinc/87/14/59/1309871459.db2.gz DMMJEYKIJICYQX-QBIMZIAESA-N 0 0 347.415 3.099 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H]1F ZINC000897331946 1310294580 /nfs/dbraw/zinc/29/45/80/1310294580.db2.gz XJMHKMZATGHSHL-QMTHXVAHSA-N 0 0 331.347 3.150 10 5 EGBERN CC(C)c1ccc(C(=O)NCC(C)(C)n2cccn2)cc1[N+](=O)[O-] ZINC000898924906 1310875283 /nfs/dbraw/zinc/87/52/83/1310875283.db2.gz LZKLGUNVYQLVME-UHFFFAOYSA-N 0 0 330.388 3.080 10 5 EGBERN Cn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000929208476 1328536815 /nfs/dbraw/zinc/53/68/15/1328536815.db2.gz BQUGHRJGRBAIAW-ZDUSSCGKSA-N 0 0 349.778 3.351 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857670178 1328580395 /nfs/dbraw/zinc/58/03/95/1328580395.db2.gz XTSBVIQOUAGNIM-SNVBAGLBSA-N 0 0 340.326 3.047 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCCC3)OC[C@H]2C)c1F ZINC000857666619 1328579501 /nfs/dbraw/zinc/57/95/01/1328579501.db2.gz HYOZYEBFYUVHGJ-GFCCVEGCSA-N 0 0 336.363 3.216 10 5 EGBERN O=C(NCCCOCC1CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858165792 1328700899 /nfs/dbraw/zinc/70/08/99/1328700899.db2.gz NRCZFSDDLYZGGJ-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000858403679 1328753900 /nfs/dbraw/zinc/75/39/00/1328753900.db2.gz JDHGXVZHEHUDIP-KRWDZBQOSA-N 0 0 340.379 3.292 10 5 EGBERN CC(C)n1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)n1 ZINC000913384666 1319018934 /nfs/dbraw/zinc/01/89/34/1319018934.db2.gz AXKIHAJMLHXSCV-UHFFFAOYSA-N 0 0 340.742 3.095 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000913754202 1319116344 /nfs/dbraw/zinc/11/63/44/1319116344.db2.gz IYAFDZKMGWNRTN-HNNXBMFYSA-N 0 0 332.400 3.259 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)OC1 ZINC000914297041 1319288012 /nfs/dbraw/zinc/28/80/12/1319288012.db2.gz RLYWKWIWQJKCQD-SNVBAGLBSA-N 0 0 326.780 3.183 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@](O)(c2ccccc2)C1 ZINC000858716935 1328837728 /nfs/dbraw/zinc/83/77/28/1328837728.db2.gz MONRUTOEYABLQA-GOSISDBHSA-N 0 0 328.368 3.091 10 5 EGBERN Cc1sc(C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC000917407283 1319802566 /nfs/dbraw/zinc/80/25/66/1319802566.db2.gz LYDVOAYSBDYBNS-UHFFFAOYSA-N 0 0 344.352 3.108 10 5 EGBERN CCN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858770898 1328856672 /nfs/dbraw/zinc/85/66/72/1328856672.db2.gz WNZPECXMCLOJMB-CYBMUJFWSA-N 0 0 328.368 3.247 10 5 EGBERN Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000917901960 1319887258 /nfs/dbraw/zinc/88/72/58/1319887258.db2.gz AAKYSOZKMNTHPH-UHFFFAOYSA-N 0 0 345.735 3.463 10 5 EGBERN Cc1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000858845440 1328874616 /nfs/dbraw/zinc/87/46/16/1328874616.db2.gz KDQDXZDGSNTJOK-NEPJUHHUSA-N 0 0 336.392 3.108 10 5 EGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000858873516 1328880765 /nfs/dbraw/zinc/88/07/65/1328880765.db2.gz FBNBGLHLHLKEDO-UHFFFAOYSA-N 0 0 337.344 3.375 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000859432168 1328985556 /nfs/dbraw/zinc/98/55/56/1328985556.db2.gz OQQFRNQAQBIUTA-ZZKXABKFSA-N 0 0 342.392 3.101 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC1CC1 ZINC000930862228 1328989931 /nfs/dbraw/zinc/98/99/31/1328989931.db2.gz JNVAAMIHQWOGME-CQSZACIVSA-N 0 0 333.388 3.244 10 5 EGBERN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)C1CCCC1 ZINC000920413475 1322174448 /nfs/dbraw/zinc/17/44/48/1322174448.db2.gz ZRTUUERFEPAJAM-UHFFFAOYSA-N 0 0 334.763 3.266 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(CCC[C@H]3CCOC3)n2)c1 ZINC000920416995 1322175455 /nfs/dbraw/zinc/17/54/55/1322175455.db2.gz HICPNLWWFBRTQW-NSHDSACASA-N 0 0 336.779 3.323 10 5 EGBERN O=C(COC(=O)c1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000920622374 1322198890 /nfs/dbraw/zinc/19/88/90/1322198890.db2.gz NKUIMUWMFDYLRR-UHFFFAOYSA-N 0 0 342.282 3.255 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC[C@@H]1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000921335660 1322294570 /nfs/dbraw/zinc/29/45/70/1322294570.db2.gz PVTUTFKPJYWWBV-DLBZAZTESA-N 0 0 347.415 3.256 10 5 EGBERN C[C@@H](c1ccccn1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930959000 1329016208 /nfs/dbraw/zinc/01/62/08/1329016208.db2.gz RFYZKAQTERRYEK-LBPRGKRZSA-N 0 0 331.347 3.281 10 5 EGBERN Cc1cccc(C)c1OCCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000921508752 1322333826 /nfs/dbraw/zinc/33/38/26/1322333826.db2.gz LGLZIGPXCDTCLJ-UHFFFAOYSA-N 0 0 329.352 3.376 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)CC2CC2)cc1Cl ZINC000922019409 1322440967 /nfs/dbraw/zinc/44/09/67/1322440967.db2.gz JQXLSNGZFZGQCM-UHFFFAOYSA-N 0 0 326.157 3.020 10 5 EGBERN Cc1c(CNC(=O)N2CCC(F)(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000922167887 1322470118 /nfs/dbraw/zinc/47/01/18/1322470118.db2.gz IDVMQVZWPVBREL-UHFFFAOYSA-N 0 0 335.379 3.327 10 5 EGBERN Cc1ccc(C(=O)OCc2cc(C(F)(F)F)n(C)n2)cc1[N+](=O)[O-] ZINC000922170987 1322471079 /nfs/dbraw/zinc/47/10/79/1322471079.db2.gz GLLCTQYZJAXKIK-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922645415 1322578778 /nfs/dbraw/zinc/57/87/78/1322578778.db2.gz JSZOWTPSPKMGJD-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@H](C(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000922653516 1322581371 /nfs/dbraw/zinc/58/13/71/1322581371.db2.gz SOVCOFDAAVEOAN-ZWKOPEQDSA-N 0 0 347.289 3.351 10 5 EGBERN COc1ccc(COC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000923427771 1322750340 /nfs/dbraw/zinc/75/03/40/1322750340.db2.gz VTOGQSACLSZLJQ-CQSZACIVSA-N 0 0 349.383 3.386 10 5 EGBERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000923720126 1322796546 /nfs/dbraw/zinc/79/65/46/1322796546.db2.gz BCGHLNHLCSWTKU-CHWSQXEVSA-N 0 0 347.289 3.181 10 5 EGBERN CC(C)C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)n1ccnc1 ZINC000923772916 1322806474 /nfs/dbraw/zinc/80/64/74/1322806474.db2.gz GABKPTKWJMQCRQ-CQSZACIVSA-N 0 0 327.344 3.477 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)ccc1[N+](=O)[O-] ZINC000923946656 1322853162 /nfs/dbraw/zinc/85/31/62/1322853162.db2.gz QNWSYDRZWKBGRB-HOCLYGCPSA-N 0 0 343.383 3.377 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCO[C@H]1CC1(F)F ZINC000923963559 1322857907 /nfs/dbraw/zinc/85/79/07/1322857907.db2.gz URTZUVRHPOPLSZ-LBPRGKRZSA-N 0 0 349.717 3.148 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])O[C@H]1CCCCC1=O ZINC000923967155 1322859679 /nfs/dbraw/zinc/85/96/79/1322859679.db2.gz MDMFGNBZZXJURA-AWEZNQCLSA-N 0 0 325.748 3.236 10 5 EGBERN C[C@@H]1C[C@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924240222 1322948598 /nfs/dbraw/zinc/94/85/98/1322948598.db2.gz IIADCIUGWFTNGI-ZYHUDNBSSA-N 0 0 327.764 3.149 10 5 EGBERN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)n1 ZINC000924950970 1323225736 /nfs/dbraw/zinc/22/57/36/1323225736.db2.gz BBGXMRGJSGSHAM-CQSZACIVSA-N 0 0 331.372 3.248 10 5 EGBERN C[C@@H]1CCC(=O)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000931333680 1329096621 /nfs/dbraw/zinc/09/66/21/1329096621.db2.gz CHRSUTLVNUBHOA-LLVKDONJSA-N 0 0 333.388 3.478 10 5 EGBERN C[C@]1(Br)C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000860117077 1329150719 /nfs/dbraw/zinc/15/07/19/1329150719.db2.gz FOSOXMDAZIDUQN-SKDRFNHKSA-N 0 0 348.580 3.465 10 5 EGBERN O=C(NCC[C@H]1CCC2(CCC2)O1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931612731 1329154248 /nfs/dbraw/zinc/15/42/48/1329154248.db2.gz ZHEREEKRJLDBJM-GFCCVEGCSA-N 0 0 337.351 3.347 10 5 EGBERN C[C@@H](OC(=O)[C@H]1CCCC12CC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000860179199 1329168300 /nfs/dbraw/zinc/16/83/00/1329168300.db2.gz HVXRHHKGHBKCTI-VXGBXAGGSA-N 0 0 332.356 3.045 10 5 EGBERN C[C@H](OC(=O)[C@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000860182776 1329169452 /nfs/dbraw/zinc/16/94/52/1329169452.db2.gz SHAHOIQQSDYVEH-SGTLLEGYSA-N 0 0 343.335 3.429 10 5 EGBERN Cc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(C)n1[C@@H]1CCOC1 ZINC000860253620 1329183219 /nfs/dbraw/zinc/18/32/19/1329183219.db2.gz LHNVSQGBUBSRPP-MRXNPFEDSA-N 0 0 344.367 3.332 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H](c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925243050 1325094088 /nfs/dbraw/zinc/09/40/88/1325094088.db2.gz JTKIZBNSIUOUIT-HIFRSBDPSA-N 0 0 340.383 3.250 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925500950 1325179498 /nfs/dbraw/zinc/17/94/98/1325179498.db2.gz AESQNFQXEJQPTM-GFCCVEGCSA-N 0 0 335.404 3.082 10 5 EGBERN C[S@](=O)(=NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000926026333 1325392968 /nfs/dbraw/zinc/39/29/68/1325392968.db2.gz UPJDWJKEUGTRTC-HSZRJFAPSA-N 0 0 342.392 3.234 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000860338889 1329306859 /nfs/dbraw/zinc/30/68/59/1329306859.db2.gz LZUFHSYPVFFIIF-NEPJUHHUSA-N 0 0 338.791 3.137 10 5 EGBERN C[C@H](OC(=O)c1ccn(C2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000860397314 1329313014 /nfs/dbraw/zinc/31/30/14/1329313014.db2.gz ZZOIZNDYRSTSBI-LBPRGKRZSA-N 0 0 345.355 3.061 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000927283131 1327954151 /nfs/dbraw/zinc/95/41/51/1327954151.db2.gz PIIXUADUWAHESY-CYBMUJFWSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927427863 1328022009 /nfs/dbraw/zinc/02/20/09/1328022009.db2.gz CCGQZWWIAKSFJV-BBRMVZONSA-N 0 0 333.388 3.230 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927478653 1328039831 /nfs/dbraw/zinc/03/98/31/1328039831.db2.gz ICNCRJRAZXSIJD-WOSRLPQWSA-N 0 0 330.384 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccc2c1CCCC2 ZINC000927615164 1328080635 /nfs/dbraw/zinc/08/06/35/1328080635.db2.gz JSZRBEVCPWRXQU-UHFFFAOYSA-N 0 0 325.368 3.107 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000861277351 1329404222 /nfs/dbraw/zinc/40/42/22/1329404222.db2.gz HYIGXDNHBSYXPP-QGZVFWFLSA-N 0 0 340.379 3.258 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928236855 1328248260 /nfs/dbraw/zinc/24/82/60/1328248260.db2.gz GEYCDIAMASFFSS-CYBMUJFWSA-N 0 0 345.399 3.496 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccnn1C ZINC000928369149 1328291355 /nfs/dbraw/zinc/29/13/55/1328291355.db2.gz ORPWQQKJQYUHTC-UJGDBWEASA-N 0 0 340.383 3.095 10 5 EGBERN C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000928389690 1328304707 /nfs/dbraw/zinc/30/47/07/1328304707.db2.gz XFGJCERFHOURCM-SUMWQHHRSA-N 0 0 325.368 3.398 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000928576453 1328359367 /nfs/dbraw/zinc/35/93/67/1328359367.db2.gz XLXDEQKVUBVZCA-AWEZNQCLSA-N 0 0 346.774 3.228 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000928576454 1328359598 /nfs/dbraw/zinc/35/95/98/1328359598.db2.gz XLXDEQKVUBVZCA-CQSZACIVSA-N 0 0 346.774 3.228 10 5 EGBERN O=C(COCC1CC1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445195 1329418745 /nfs/dbraw/zinc/41/87/45/1329418745.db2.gz XZQUWVYSUKHTQP-CYBMUJFWSA-N 0 0 333.262 3.168 10 5 EGBERN CC(C)C[C@@H]1C(=O)N(C[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000929003081 1328487472 /nfs/dbraw/zinc/48/74/72/1328487472.db2.gz QVXYSVMFXSWHHP-SWLSCSKDSA-N 0 0 333.388 3.007 10 5 EGBERN C[C@H](CN1C(=O)N[C@H](CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929003067 1328487785 /nfs/dbraw/zinc/48/77/85/1328487785.db2.gz QPDUUSBEVVIREM-DGCLKSJQSA-N 0 0 333.388 3.055 10 5 EGBERN Cc1ccc(NC(=O)N2CCC(O)(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000929118192 1328509180 /nfs/dbraw/zinc/50/91/80/1328509180.db2.gz JHNUIKAYUJFBRK-UHFFFAOYSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000929118452 1328509243 /nfs/dbraw/zinc/50/92/43/1328509243.db2.gz MRYQKFHAAGWZTB-CYBMUJFWSA-N 0 0 343.387 3.048 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H](OC(F)F)C1 ZINC000861571998 1329427271 /nfs/dbraw/zinc/42/72/71/1329427271.db2.gz KXDLWTVDRLTHNR-LBPRGKRZSA-N 0 0 336.294 3.202 10 5 EGBERN C[C@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861680581 1329436030 /nfs/dbraw/zinc/43/60/30/1329436030.db2.gz WHKQWXSUOJYCLA-GXTWGEPZSA-N 0 0 328.368 3.150 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCO[C@@H](C2CCC2)C1 ZINC000861987400 1329453525 /nfs/dbraw/zinc/45/35/25/1329453525.db2.gz HCAFJTDARHMCMH-GOSISDBHSA-N 0 0 340.379 3.389 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H](O)C(C)C ZINC000861996619 1329454193 /nfs/dbraw/zinc/45/41/93/1329454193.db2.gz PJXRMNOMQNRAFX-DLBZAZTESA-N 0 0 330.384 3.273 10 5 EGBERN Cc1c(F)nccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000862248252 1329470798 /nfs/dbraw/zinc/47/07/98/1329470798.db2.gz JDCSKHHPFISNCC-UHFFFAOYSA-N 0 0 345.374 3.481 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)C1(C)CCCC1 ZINC000863062212 1329526887 /nfs/dbraw/zinc/52/68/87/1329526887.db2.gz LLSIDTSZRJDMHW-QBFSEMIESA-N 0 0 330.384 3.264 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC(=O)C2(C)CCCC2)c1F ZINC000863061937 1329526938 /nfs/dbraw/zinc/52/69/38/1329526938.db2.gz DXDSRJHHBSWICA-UHFFFAOYSA-N 0 0 340.326 3.061 10 5 EGBERN C/C=C/C[C@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339539 1329548322 /nfs/dbraw/zinc/54/83/22/1329548322.db2.gz DAZFWUVYKCSDAR-IBUXWKBASA-N 0 0 331.372 3.138 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000863815088 1329583499 /nfs/dbraw/zinc/58/34/99/1329583499.db2.gz UOSZYZROEQBQMR-ZRMMWKCHSA-N 0 0 336.363 3.318 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000863847482 1329585134 /nfs/dbraw/zinc/58/51/34/1329585134.db2.gz OBTNXSPFLXJPJL-UHFFFAOYSA-N 0 0 346.183 3.180 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccc2cc[nH]c(=O)c2c1 ZINC000864041137 1329594654 /nfs/dbraw/zinc/59/46/54/1329594654.db2.gz XYLVURNJTPXDMW-UHFFFAOYSA-N 0 0 325.324 3.469 10 5 EGBERN CCCC[S@](=O)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000864477312 1329616932 /nfs/dbraw/zinc/61/69/32/1329616932.db2.gz FIRTYQLMZSSOKH-QFIPXVFZSA-N 0 0 343.792 3.347 10 5 EGBERN CCCN(CC)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864810241 1329644132 /nfs/dbraw/zinc/64/41/32/1329644132.db2.gz ASLXBCSDHAROOI-UHFFFAOYSA-N 0 0 329.194 3.158 10 5 EGBERN C[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000864930037 1329652747 /nfs/dbraw/zinc/65/27/47/1329652747.db2.gz AAKOMIDSGIPQSM-MLGOLLRUSA-N 0 0 326.352 3.166 10 5 EGBERN CC1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000865013921 1329661720 /nfs/dbraw/zinc/66/17/20/1329661720.db2.gz WZMVKDILHATDQV-UHFFFAOYSA-N 0 0 341.205 3.349 10 5 EGBERN C[C@@H](O)c1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000865462093 1329700518 /nfs/dbraw/zinc/70/05/18/1329700518.db2.gz GAZQNIJCXMPFMU-MRVPVSSYSA-N 0 0 344.293 3.013 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](OC3CCC3)CC2)c1 ZINC000866147894 1330070986 /nfs/dbraw/zinc/07/09/86/1330070986.db2.gz ZGWWQDAHXBDXNG-HNNXBMFYSA-N 0 0 348.399 3.309 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000866159173 1330071724 /nfs/dbraw/zinc/07/17/24/1330071724.db2.gz ZLLMKTOAISCZGQ-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(c2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000866158727 1330071781 /nfs/dbraw/zinc/07/17/81/1330071781.db2.gz QJOYDCJMESFEQG-AWEZNQCLSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCSCCC(F)(F)F)cc1F ZINC000866182710 1330074592 /nfs/dbraw/zinc/07/45/92/1330074592.db2.gz AOTYGYZXTVBEJH-UHFFFAOYSA-N 0 0 342.314 3.324 10 5 EGBERN Cc1cnc(N2CCC(c3nc(C4CCC4)no3)CC2)c([N+](=O)[O-])c1 ZINC000866199022 1330077309 /nfs/dbraw/zinc/07/73/09/1330077309.db2.gz GTQNVABHNSOOLL-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CSC[C@@H]2C1 ZINC000866200217 1330077508 /nfs/dbraw/zinc/07/75/08/1330077508.db2.gz GADCYJWMBQEAFY-RYUDHWBXSA-N 0 0 345.424 3.341 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CCO1 ZINC000866231878 1330081344 /nfs/dbraw/zinc/08/13/44/1330081344.db2.gz AJKMDKINVGZBDX-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000868112432 1330250831 /nfs/dbraw/zinc/25/08/31/1330250831.db2.gz IKTGQLYSMONXLB-KRWDZBQOSA-N 0 0 346.427 3.335 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000868252867 1330264672 /nfs/dbraw/zinc/26/46/72/1330264672.db2.gz MBACCWDHEDFKLD-UHFFFAOYSA-N 0 0 348.790 3.163 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000869044613 1330401510 /nfs/dbraw/zinc/40/15/10/1330401510.db2.gz JZFWZLJHKMZIRU-OAHLLOKOSA-N 0 0 343.358 3.078 10 5 EGBERN COC(=O)c1csc(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000869488807 1330510204 /nfs/dbraw/zinc/51/02/04/1330510204.db2.gz AIDBWGHDTTXBFS-SNVBAGLBSA-N 0 0 349.364 3.290 10 5 EGBERN COc1ccc(COC(=O)C2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000869809228 1330568241 /nfs/dbraw/zinc/56/82/41/1330568241.db2.gz ATKMICMAKVNQFJ-MRXNPFEDSA-N 0 0 349.383 3.386 10 5 EGBERN NC(=O)c1cc(N(Cc2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC001184651006 1387503194 /nfs/dbraw/zinc/50/31/94/1387503194.db2.gz STYYOFRWNUEYNA-UHFFFAOYSA-N 0 0 329.331 3.002 10 5 EGBERN CN(C[C@H]1CCCCO1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001184992221 1387583373 /nfs/dbraw/zinc/58/33/73/1387583373.db2.gz VXGOALZWDMYLRW-GFCCVEGCSA-N 0 0 346.343 3.057 10 5 EGBERN COC(=O)N1CCC[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001185205405 1387649141 /nfs/dbraw/zinc/64/91/41/1387649141.db2.gz XYJSVCNHTDLXIE-JTQLQIEISA-N 0 0 347.293 3.256 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC001185555420 1387746667 /nfs/dbraw/zinc/74/66/67/1387746667.db2.gz QSRATJSMJDXPJD-YGRLFVJLSA-N 0 0 340.305 3.489 10 5 EGBERN O=C(CCCCCNc1ccncc1[N+](=O)[O-])OCc1ccccc1 ZINC001185658029 1387772169 /nfs/dbraw/zinc/77/21/69/1387772169.db2.gz LKBBDCNHZFLWJH-UHFFFAOYSA-N 0 0 343.383 3.127 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@]2(O)CCc3ccccc32)c2ccccc21 ZINC001185888573 1387824704 /nfs/dbraw/zinc/82/47/04/1387824704.db2.gz JOEVUVQOUCKQFH-LJQANCHMSA-N 0 0 335.363 3.389 10 5 EGBERN COC(=O)[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])[C@@H]1C ZINC001186130592 1387875973 /nfs/dbraw/zinc/87/59/73/1387875973.db2.gz DGCWPQSDFPFRQG-BDAKNGLRSA-N 0 0 332.278 3.001 10 5 EGBERN CCc1cc(NCc2cccnc2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187243267 1388080218 /nfs/dbraw/zinc/08/02/18/1388080218.db2.gz VDHXXOLOSBEUHW-UHFFFAOYSA-N 0 0 349.394 3.352 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC(c2ccccn2)C1 ZINC001187332931 1388095419 /nfs/dbraw/zinc/09/54/19/1388095419.db2.gz DLLAMEJNPKAZJM-UHFFFAOYSA-N 0 0 334.173 3.356 10 5 EGBERN CC(C)(C)OC(=O)NCC1(CN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001117812865 1371093560 /nfs/dbraw/zinc/09/35/60/1371093560.db2.gz AOKWIMNFLTVOMA-UHFFFAOYSA-N 0 0 347.415 3.215 10 5 EGBERN CO[C@H](COC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCCCC1 ZINC001118400145 1371174861 /nfs/dbraw/zinc/17/48/61/1371174861.db2.gz XNSYHEQMTYUTGL-GFCCVEGCSA-N 0 0 339.392 3.193 10 5 EGBERN C[C@@H]1COC2(CCC2)CN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001118537474 1371195049 /nfs/dbraw/zinc/19/50/49/1371195049.db2.gz VSVOAJVKDTUMCG-SNVBAGLBSA-N 0 0 348.790 3.339 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1O ZINC001118928754 1371251468 /nfs/dbraw/zinc/25/14/68/1371251468.db2.gz SSJXQGLTTCIEDI-VUCTXSBTSA-N 0 0 327.384 3.129 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H]1C(F)(F)F ZINC001119479774 1371351787 /nfs/dbraw/zinc/35/17/87/1371351787.db2.gz HZRYCIVAIPZLNN-GHMZBOCLSA-N 0 0 325.246 3.280 10 5 EGBERN O=[N+]([O-])c1ccsc1N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001187702716 1388146696 /nfs/dbraw/zinc/14/66/96/1388146696.db2.gz YHRXMHNGQMVGHJ-UHFFFAOYSA-N 0 0 328.353 3.310 10 5 EGBERN COC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC001120861249 1371787664 /nfs/dbraw/zinc/78/76/64/1371787664.db2.gz YVHLCESAYFUQBM-INIZCTEOSA-N 0 0 342.330 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)c1F ZINC001121284624 1371921817 /nfs/dbraw/zinc/92/18/17/1371921817.db2.gz CSEOFSSJLPYNGR-RHSMWYFYSA-N 0 0 336.363 3.074 10 5 EGBERN CCOc1ccc(C(=O)O[C@H](C)c2ccc(F)nc2)cc1[N+](=O)[O-] ZINC001123011013 1372360880 /nfs/dbraw/zinc/36/08/80/1372360880.db2.gz VCYVVALXWLNBCO-SNVBAGLBSA-N 0 0 334.303 3.446 10 5 EGBERN Cc1cnc(C(=O)O[C@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])cc1C ZINC001123132394 1372385960 /nfs/dbraw/zinc/38/59/60/1372385960.db2.gz IZRUTRYWNWAKOW-LRDDRELGSA-N 0 0 332.331 3.401 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001123380495 1372448418 /nfs/dbraw/zinc/44/84/18/1372448418.db2.gz XNKWAAKMZLYNRM-MFKMUULPSA-N 0 0 339.779 3.281 10 5 EGBERN COCC[C@H](NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)c1cccnc1 ZINC001123890448 1372618752 /nfs/dbraw/zinc/61/87/52/1372618752.db2.gz VYIPLQNFTMLZPD-HNNXBMFYSA-N 0 0 343.383 3.114 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001124032112 1372661387 /nfs/dbraw/zinc/66/13/87/1372661387.db2.gz XEYJMBQZQVJVIT-IRXDYDNUSA-N 0 0 343.383 3.250 10 5 EGBERN CCn1ncc(Cl)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001124396917 1372698527 /nfs/dbraw/zinc/69/85/27/1372698527.db2.gz VVIFLIFJPQAZGB-UHFFFAOYSA-N 0 0 329.143 3.370 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)C2 ZINC001124413695 1372699671 /nfs/dbraw/zinc/69/96/71/1372699671.db2.gz NUVAZNQBSDNYSC-MRXNPFEDSA-N 0 0 341.363 3.452 10 5 EGBERN Cc1ccccc1[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001124574739 1372712656 /nfs/dbraw/zinc/71/26/56/1372712656.db2.gz VGOKVCIQLXDRPF-AWEZNQCLSA-N 0 0 327.384 3.235 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCc2cccc(F)c21 ZINC001124776109 1372729708 /nfs/dbraw/zinc/72/97/08/1372729708.db2.gz JAHPAMHDAASOEY-UHFFFAOYSA-N 0 0 332.306 3.395 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001124878536 1372737076 /nfs/dbraw/zinc/73/70/76/1372737076.db2.gz PAJRZMINJZZWPO-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001124928957 1372740311 /nfs/dbraw/zinc/74/03/11/1372740311.db2.gz PKNVLDPEMHULAQ-SNVBAGLBSA-N 0 0 333.296 3.201 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-n2cccn2)c1 ZINC001125018738 1372746913 /nfs/dbraw/zinc/74/69/13/1372746913.db2.gz FDIONIFWOVRQNM-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cn(C)nc1Cl ZINC001126194530 1372947263 /nfs/dbraw/zinc/94/72/63/1372947263.db2.gz GPYAYLWXJYIDJX-UHFFFAOYSA-N 0 0 330.127 3.163 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2ccccc21 ZINC001126262087 1372953384 /nfs/dbraw/zinc/95/33/84/1372953384.db2.gz GYDLOJFCNMCBCI-NSHDSACASA-N 0 0 330.315 3.470 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1(C)C ZINC001126453531 1372966935 /nfs/dbraw/zinc/96/69/35/1372966935.db2.gz WWYZIYHBOMGKHC-CVEARBPZSA-N 0 0 334.416 3.487 10 5 EGBERN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001126542662 1372973445 /nfs/dbraw/zinc/97/34/45/1372973445.db2.gz DRUWCFREOMCKPW-SNVBAGLBSA-N 0 0 336.294 3.070 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001126537604 1372973468 /nfs/dbraw/zinc/97/34/68/1372973468.db2.gz OUTSKCALBZXOMN-SNVBAGLBSA-N 0 0 348.305 3.230 10 5 EGBERN COc1cc(C(=O)N2CCOc3cc(C)ccc32)c([N+](=O)[O-])cc1F ZINC001126699045 1373001312 /nfs/dbraw/zinc/00/13/12/1373001312.db2.gz LGQZCWGHTUVMMQ-UHFFFAOYSA-N 0 0 346.314 3.090 10 5 EGBERN CC(C)(CCC(=O)N1CCC(OCC2CCCC2)CC1)[N+](=O)[O-] ZINC001126771089 1373019280 /nfs/dbraw/zinc/01/92/80/1373019280.db2.gz HDLQZFUVCTYDLK-UHFFFAOYSA-N 0 0 326.437 3.020 10 5 EGBERN CC(=O)c1cncc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001126789008 1373024637 /nfs/dbraw/zinc/02/46/37/1373024637.db2.gz ZMSHGRQVNOKJHR-LBPRGKRZSA-N 0 0 328.324 3.419 10 5 EGBERN CC1(C)C(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC001126836999 1373038537 /nfs/dbraw/zinc/03/85/37/1373038537.db2.gz YOLMBOUGUZMOJF-UHFFFAOYSA-N 0 0 328.315 3.361 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC001127224659 1373105395 /nfs/dbraw/zinc/10/53/95/1373105395.db2.gz LPBRJFLQDXTOMT-LBPRGKRZSA-N 0 0 336.363 3.264 10 5 EGBERN COc1cc(C(=O)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])cc1F ZINC001127240980 1373107196 /nfs/dbraw/zinc/10/71/96/1373107196.db2.gz ANAXGQCGMRHHOA-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001127358339 1373118586 /nfs/dbraw/zinc/11/85/86/1373118586.db2.gz BFNORHRQBQHCTQ-SNVBAGLBSA-N 0 0 344.298 3.155 10 5 EGBERN CC[C@H](OC(=O)[C@@H](CC1CCC1)NC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC001127710683 1373165765 /nfs/dbraw/zinc/16/57/65/1373165765.db2.gz OVZAESXTMWDNKD-SJORKVTESA-N 0 0 348.399 3.284 10 5 EGBERN CC[C@@H](OC(=O)c1cc2n(n1)CCCC2=O)c1cccc([N+](=O)[O-])c1 ZINC001127828657 1373187919 /nfs/dbraw/zinc/18/79/19/1373187919.db2.gz QCYVVJKAUPACMT-MRXNPFEDSA-N 0 0 343.339 3.076 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC001128003989 1373207973 /nfs/dbraw/zinc/20/79/73/1373207973.db2.gz DBQBRTVOHBMMEV-CQSZACIVSA-N 0 0 344.342 3.225 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001128018468 1373208950 /nfs/dbraw/zinc/20/89/50/1373208950.db2.gz FEWABLGJANKUGB-UHFFFAOYSA-N 0 0 338.367 3.442 10 5 EGBERN Cc1ccc(C(C)C)c(OCCC(=O)Nc2c([N+](=O)[O-])cnn2C)c1 ZINC001128216450 1373236347 /nfs/dbraw/zinc/23/63/47/1373236347.db2.gz DDODFLGBYVGTLR-UHFFFAOYSA-N 0 0 346.387 3.168 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C\c1cccnc1 ZINC001128513740 1373280540 /nfs/dbraw/zinc/28/05/40/1373280540.db2.gz AAOXBXLJTNTZQU-XFXZXTDPSA-N 0 0 327.340 3.431 10 5 EGBERN COc1cc(C(=O)N2CCc3cc(C)ccc32)c([N+](=O)[O-])cc1F ZINC001128638811 1373300057 /nfs/dbraw/zinc/30/00/57/1373300057.db2.gz RRQZFAWNMQNXIJ-UHFFFAOYSA-N 0 0 330.315 3.254 10 5 EGBERN Cc1ccc(F)c(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC001128959323 1373328081 /nfs/dbraw/zinc/32/80/81/1373328081.db2.gz RDPKMQXGFWHKHQ-UHFFFAOYSA-N 0 0 348.399 3.493 10 5 EGBERN CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001128974699 1373329443 /nfs/dbraw/zinc/32/94/43/1373329443.db2.gz MVNZJZIJXXSSBR-HNNXBMFYSA-N 0 0 347.459 3.449 10 5 EGBERN COc1cccc2c1CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC001129076935 1373343499 /nfs/dbraw/zinc/34/34/99/1373343499.db2.gz WCKGDOJHERBMDB-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(C(N)=O)c1 ZINC001129075647 1373343554 /nfs/dbraw/zinc/34/35/54/1373343554.db2.gz TZSBPDNCVBICBZ-UHFFFAOYSA-N 0 0 339.307 3.001 10 5 EGBERN COc1cc(C(=O)Nc2sccc2C(C)=O)cc([N+](=O)[O-])c1C ZINC001129239613 1373364708 /nfs/dbraw/zinc/36/47/08/1373364708.db2.gz USTVJHVUTNADBH-UHFFFAOYSA-N 0 0 334.353 3.428 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc(F)cnc1Cl ZINC001129346300 1373374092 /nfs/dbraw/zinc/37/40/92/1373374092.db2.gz YUMURENAVNROHQ-UHFFFAOYSA-N 0 0 341.701 3.160 10 5 EGBERN O=C(NCCOCC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001129504207 1373391820 /nfs/dbraw/zinc/39/18/20/1373391820.db2.gz AYJUQMYKRLWQPR-UHFFFAOYSA-N 0 0 346.427 3.340 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1CN(C)C2=O ZINC001129679449 1373412105 /nfs/dbraw/zinc/41/21/05/1373412105.db2.gz MVPKCOZXJXCCOM-UHFFFAOYSA-N 0 0 339.351 3.050 10 5 EGBERN COc1cc(C(=O)Nc2cncc(SC)c2)c([N+](=O)[O-])cc1F ZINC001130060715 1373451337 /nfs/dbraw/zinc/45/13/37/1373451337.db2.gz QCHKSXSPSMGMAT-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN COc1c(C(=O)N2Cc3cc(F)c(F)cc3C2)cccc1[N+](=O)[O-] ZINC001130212243 1373474655 /nfs/dbraw/zinc/47/46/55/1373474655.db2.gz DBHOVTVJGKMZEQ-UHFFFAOYSA-N 0 0 334.278 3.038 10 5 EGBERN O=C(Nc1cc2cc[nH]c2cn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001130292685 1373486679 /nfs/dbraw/zinc/48/66/79/1373486679.db2.gz XXUKZBVRTUNECB-UHFFFAOYSA-N 0 0 337.339 3.298 10 5 EGBERN CCc1nc(C)ncc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758771 1373588446 /nfs/dbraw/zinc/58/84/46/1373588446.db2.gz NJWRCYDGCGSDGY-UHFFFAOYSA-N 0 0 337.339 3.056 10 5 EGBERN CCOc1cccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001130850295 1373598557 /nfs/dbraw/zinc/59/85/57/1373598557.db2.gz RMAZRWSVEMOOSE-UHFFFAOYSA-N 0 0 332.268 3.121 10 5 EGBERN COc1ccc(OC(=O)c2ccc([N+](=O)[O-])cn2)cc1C(F)(F)F ZINC001131651691 1373744519 /nfs/dbraw/zinc/74/45/19/1373744519.db2.gz XQNIWWLAZGHKBN-UHFFFAOYSA-N 0 0 342.229 3.236 10 5 EGBERN O=C(Oc1ccc2c(c1)CCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001131655637 1373747549 /nfs/dbraw/zinc/74/75/49/1373747549.db2.gz YUPXCVLHPBBBHA-UHFFFAOYSA-N 0 0 340.335 3.323 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1ccnc(F)c1 ZINC001131691614 1373764947 /nfs/dbraw/zinc/76/49/47/1373764947.db2.gz RAPSYGPRHRWGPK-UHFFFAOYSA-N 0 0 337.738 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001188324413 1388290792 /nfs/dbraw/zinc/29/07/92/1388290792.db2.gz GTFWYAREDORVCL-CQSZACIVSA-N 0 0 339.413 3.026 10 5 EGBERN COc1ccc(C)cc1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001188324580 1388290820 /nfs/dbraw/zinc/29/08/20/1388290820.db2.gz JYIRCGRKOQUUOG-UHFFFAOYSA-N 0 0 335.381 3.194 10 5 EGBERN CCC(NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)(C1CC1)C1CC1 ZINC001224864024 1375080937 /nfs/dbraw/zinc/08/09/37/1375080937.db2.gz RHXWIOXOWKBKHF-UHFFFAOYSA-N 0 0 347.415 3.371 10 5 EGBERN Cc1c(Br)cc(C(=O)Nc2ccns2)cc1[N+](=O)[O-] ZINC001132542629 1375451008 /nfs/dbraw/zinc/45/10/08/1375451008.db2.gz SCTPAJDBKVKFET-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN COC(=O)c1ccc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001132648485 1375497086 /nfs/dbraw/zinc/49/70/86/1375497086.db2.gz AXPMCUFPBAHUQZ-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN Cc1nn(Cc2csc(-c3ccoc3)n2)c2ncc([N+](=O)[O-])cc12 ZINC001188853189 1388391656 /nfs/dbraw/zinc/39/16/56/1388391656.db2.gz GMGOBGHULNILFI-UHFFFAOYSA-N 0 0 341.352 3.413 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC001132922557 1375646238 /nfs/dbraw/zinc/64/62/38/1375646238.db2.gz POWOZBHQTNBIHW-OAHLLOKOSA-N 0 0 336.363 3.264 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC001228724208 1375653066 /nfs/dbraw/zinc/65/30/66/1375653066.db2.gz ZTDMAAWXSRNXHE-ZENOOKHLSA-N 0 0 337.420 3.059 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ncsc2C2CC2)cc1[N+](=O)[O-] ZINC001133060981 1375751121 /nfs/dbraw/zinc/75/11/21/1375751121.db2.gz QPUINYUXGLPROL-UHFFFAOYSA-N 0 0 348.340 3.398 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc2ncccc12 ZINC001133464452 1376023136 /nfs/dbraw/zinc/02/31/36/1376023136.db2.gz ZPGFDEJQAXKNCT-DHZHZOJOSA-N 0 0 333.347 3.473 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133654837 1376140698 /nfs/dbraw/zinc/14/06/98/1376140698.db2.gz SFYBZNGGPLQNDD-LLVKDONJSA-N 0 0 329.312 3.302 10 5 EGBERN CC(C)(C)[S@](C)(=O)=NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001133784335 1376205960 /nfs/dbraw/zinc/20/59/60/1376205960.db2.gz PHLCUVCFRROEEL-QHCPKHFHSA-N 0 0 337.401 3.042 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]12C[C@H]1CCC2 ZINC001133971860 1376291117 /nfs/dbraw/zinc/29/11/17/1376291117.db2.gz NYNJFRRXLDRIRC-UVWXRNBGSA-N 0 0 338.791 3.322 10 5 EGBERN C[C@H](CNC(=O)c1nncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001134275277 1376451032 /nfs/dbraw/zinc/45/10/32/1376451032.db2.gz RJLBNWFQJUERHE-GFCCVEGCSA-N 0 0 336.351 3.072 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134310503 1376467778 /nfs/dbraw/zinc/46/77/78/1376467778.db2.gz ICBBQKWZQBEQLU-KBPBESRZSA-N 0 0 346.408 3.497 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCn2nc(C)cc2C)c1 ZINC001327220819 1388449479 /nfs/dbraw/zinc/44/94/79/1388449479.db2.gz GEQHCDCWNMOHGI-UHFFFAOYSA-N 0 0 349.412 3.128 10 5 EGBERN C[C@H](CNC(=O)CCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134496398 1376569234 /nfs/dbraw/zinc/56/92/34/1376569234.db2.gz YBROWBKRWGLARA-CYBMUJFWSA-N 0 0 346.358 3.423 10 5 EGBERN COC(=O)c1ccc(OCc2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC001189095001 1388457086 /nfs/dbraw/zinc/45/70/86/1388457086.db2.gz VRVCNQHSINNTHF-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN COc1c(F)nccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001134835822 1376748488 /nfs/dbraw/zinc/74/84/88/1376748488.db2.gz BEQSISOQHPQONW-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001134837553 1376748605 /nfs/dbraw/zinc/74/86/05/1376748605.db2.gz KDQYWCIBSZVSJI-NQBHXWOUSA-N 0 0 338.791 3.486 10 5 EGBERN Cc1nc2ccccn2c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134895291 1376773449 /nfs/dbraw/zinc/77/34/49/1376773449.db2.gz KLQQMRMKCXMIGW-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN O=C(NCc1cccc(OC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001134965456 1376816079 /nfs/dbraw/zinc/81/60/79/1376816079.db2.gz IYUCAESAVLMCAX-UHFFFAOYSA-N 0 0 340.257 3.423 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001135039016 1376863150 /nfs/dbraw/zinc/86/31/50/1376863150.db2.gz KACXWBRNWKIPKB-RHSMWYFYSA-N 0 0 336.363 3.074 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC001135495262 1377118493 /nfs/dbraw/zinc/11/84/93/1377118493.db2.gz VODMSIIPENBVHG-XXFAHNHDSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001264869934 1377144729 /nfs/dbraw/zinc/14/47/29/1377144729.db2.gz AQWPBVJKWKSMDL-KBPBESRZSA-N 0 0 336.436 3.068 10 5 EGBERN O=C(Nc1ccc(-c2nccs2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001135779878 1377210510 /nfs/dbraw/zinc/21/05/10/1377210510.db2.gz JAHKAKBBEURNGM-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN C[C@@H](NC(=O)[C@H](O)C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001136308737 1377375532 /nfs/dbraw/zinc/37/55/32/1377375532.db2.gz WDZMNRAMRJCAHL-CXAGYDPISA-N 0 0 334.416 3.493 10 5 EGBERN C[C@@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001136308738 1377376030 /nfs/dbraw/zinc/37/60/30/1377376030.db2.gz WDZMNRAMRJCAHL-DYVFJYSZSA-N 0 0 334.416 3.493 10 5 EGBERN O=C(N[C@@H]1CCc2c1cccc2Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136386452 1377386163 /nfs/dbraw/zinc/38/61/63/1377386163.db2.gz FTBBXGNRCMDVOK-HZPDHXFCSA-N 0 0 346.770 3.085 10 5 EGBERN CSc1ccc(N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001136745095 1377419019 /nfs/dbraw/zinc/41/90/19/1377419019.db2.gz MHMCAMRFYUGFOV-HNNXBMFYSA-N 0 0 332.381 3.013 10 5 EGBERN CC(C)Nc1cc(F)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136874836 1377433565 /nfs/dbraw/zinc/43/35/65/1377433565.db2.gz ULMTZENAVJWOGM-MRXNPFEDSA-N 0 0 347.346 3.226 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137038318 1377462916 /nfs/dbraw/zinc/46/29/16/1377462916.db2.gz BHSPYSJPCHECDM-AWEZNQCLSA-N 0 0 327.384 3.270 10 5 EGBERN Cc1cnc([C@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001137223736 1377499305 /nfs/dbraw/zinc/49/93/05/1377499305.db2.gz KTYLHXBCOPEYMT-VIFPVBQESA-N 0 0 339.804 3.433 10 5 EGBERN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001137707354 1377600975 /nfs/dbraw/zinc/60/09/75/1377600975.db2.gz LDIXWCHWAUFIFK-JKSUJKDBSA-N 0 0 349.431 3.059 10 5 EGBERN O=C(NCCc1ccc2[nH]ccc2c1)c1cc([N+](=O)[O-])ccc1F ZINC001138774893 1377782435 /nfs/dbraw/zinc/78/24/35/1377782435.db2.gz HJMFBEHGLJFFMX-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001139547285 1377902568 /nfs/dbraw/zinc/90/25/68/1377902568.db2.gz ZSHSEBXKOYZJEG-CMPLNLGQSA-N 0 0 348.790 3.298 10 5 EGBERN C[C@H](O)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC001140257902 1378037219 /nfs/dbraw/zinc/03/72/19/1378037219.db2.gz RZMJWJBDJCQYNB-VIFPVBQESA-N 0 0 336.294 3.108 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(c1ccccc1)C1CC1 ZINC001272717847 1378080734 /nfs/dbraw/zinc/08/07/34/1378080734.db2.gz BMQYBDYFDYILCN-UHFFFAOYSA-N 0 0 326.308 3.133 10 5 EGBERN CC(C)(NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001141381724 1378314219 /nfs/dbraw/zinc/31/42/19/1378314219.db2.gz CICMVLFZKOOJFG-UHFFFAOYSA-N 0 0 344.342 3.054 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1nc(C2CC2)cs1 ZINC001141478250 1378331119 /nfs/dbraw/zinc/33/11/19/1378331119.db2.gz QVKHCMXKDFCOGP-UHFFFAOYSA-N 0 0 331.397 3.130 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](c2ccncc2)C1 ZINC001141674145 1378361404 /nfs/dbraw/zinc/36/14/04/1378361404.db2.gz LWVSRUXKTVKWQL-CYBMUJFWSA-N 0 0 336.351 3.101 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001141707836 1378364648 /nfs/dbraw/zinc/36/46/48/1378364648.db2.gz LLSFMPXPXQQPGK-UHFFFAOYSA-N 0 0 343.364 3.367 10 5 EGBERN O=C(NCCCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001142382925 1378438467 /nfs/dbraw/zinc/43/84/67/1378438467.db2.gz VYYLOCLJWPCBGI-UHFFFAOYSA-N 0 0 349.431 3.077 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001143093384 1378538742 /nfs/dbraw/zinc/53/87/42/1378538742.db2.gz SMEYMOVIBXXHPS-UHFFFAOYSA-N 0 0 342.330 3.438 10 5 EGBERN CC[C@@](C)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC001147808571 1379083959 /nfs/dbraw/zinc/08/39/59/1379083959.db2.gz BVBJGMFGXHEEIU-QGZVFWFLSA-N 0 0 328.372 3.293 10 5 EGBERN O=C(c1cccc(-c2cnco2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148567308 1379212949 /nfs/dbraw/zinc/21/29/49/1379212949.db2.gz XYXJCHZHFOWXGM-UHFFFAOYSA-N 0 0 335.319 3.406 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001149371769 1379372060 /nfs/dbraw/zinc/37/20/60/1379372060.db2.gz VONILMOPPGEGDV-ZDUSSCGKSA-N 0 0 344.342 3.200 10 5 EGBERN CSc1ccc(O)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001154300984 1380250971 /nfs/dbraw/zinc/25/09/71/1380250971.db2.gz FLSDCKYQJYZAAK-UHFFFAOYSA-N 0 0 332.381 3.261 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2(O)CCCCCC2)c1C ZINC001154831770 1380359875 /nfs/dbraw/zinc/35/98/75/1380359875.db2.gz KKHPDPXMHGWIGD-UHFFFAOYSA-N 0 0 334.416 3.369 10 5 EGBERN CC[C@@H](C)[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154844827 1380363913 /nfs/dbraw/zinc/36/39/13/1380363913.db2.gz BFVMCEBEBNRJPH-VXGBXAGGSA-N 0 0 332.404 3.202 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001155375734 1380443311 /nfs/dbraw/zinc/44/33/11/1380443311.db2.gz QEJOKBQWXRRQDK-QCZKYFFMSA-N 0 0 340.326 3.218 10 5 EGBERN CSc1ccccc1[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001155458127 1380456087 /nfs/dbraw/zinc/45/60/87/1380456087.db2.gz NKMAJYYIPKUZRJ-SSDOTTSWSA-N 0 0 340.792 3.184 10 5 EGBERN CC(C)(CCC(=O)N1CCS[C@]1(C)Cc1ccccc1)[N+](=O)[O-] ZINC001155805807 1380494071 /nfs/dbraw/zinc/49/40/71/1380494071.db2.gz CHWLRYPMQKOUBH-QGZVFWFLSA-N 0 0 336.457 3.356 10 5 EGBERN CC[C@H]1CCCc2sc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)nc21 ZINC001158172905 1381147916 /nfs/dbraw/zinc/14/79/16/1381147916.db2.gz LLTYWUXSWOURPE-QMMMGPOBSA-N 0 0 348.384 3.234 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1ccc2c(c1)CCO2 ZINC001287975230 1381459570 /nfs/dbraw/zinc/45/95/70/1381459570.db2.gz RYOMNYXZMPKHIW-UHFFFAOYSA-N 0 0 341.363 3.432 10 5 EGBERN CSc1ccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328374988 1388731988 /nfs/dbraw/zinc/73/19/88/1388731988.db2.gz UHOBZFGPCCHWJW-MXWKQRLJSA-N 0 0 342.367 3.480 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H]2C(F)(F)F)c(Br)c1 ZINC001328409861 1388739136 /nfs/dbraw/zinc/73/91/36/1388739136.db2.gz IRWKKDCFPIDXDV-JTQLQIEISA-N 0 0 339.111 3.494 10 5 EGBERN C[C@@H](OC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001288223277 1381737344 /nfs/dbraw/zinc/73/73/44/1381737344.db2.gz GYGYCGYQBNFBNN-SNVBAGLBSA-N 0 0 348.286 3.489 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)OC1 ZINC001288336383 1381784451 /nfs/dbraw/zinc/78/44/51/1381784451.db2.gz OPHVHJXPNFOLDB-CYBMUJFWSA-N 0 0 332.356 3.276 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2cccc(C)c2[N+](=O)[O-])o1 ZINC001288627622 1381900241 /nfs/dbraw/zinc/90/02/41/1381900241.db2.gz RVFWBAQSZDWWDR-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN COCc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001288749333 1381924227 /nfs/dbraw/zinc/92/42/27/1381924227.db2.gz JUFKJNDBAQQIEX-LLVKDONJSA-N 0 0 332.331 3.371 10 5 EGBERN O=C(NC[C@@]12C[C@@H]1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001288853704 1381950599 /nfs/dbraw/zinc/95/05/99/1381950599.db2.gz OZJXQTZFHGUHLZ-KBXCAEBGSA-N 0 0 340.383 3.091 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1(C)C ZINC001160028069 1381972015 /nfs/dbraw/zinc/97/20/15/1381972015.db2.gz ALYVSPOPGOLLDC-CYBMUJFWSA-N 0 0 343.786 3.476 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N=[S@]1(=O)CCc2ccccc21 ZINC001289029774 1381974198 /nfs/dbraw/zinc/97/41/98/1381974198.db2.gz POAAVPNYMROMRR-REXAPNPKSA-N 0 0 342.376 3.218 10 5 EGBERN COc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])cc1F ZINC001289372061 1381995647 /nfs/dbraw/zinc/99/56/47/1381995647.db2.gz RCHWYJVEXPADKQ-GJPRJAGVSA-N 0 0 348.374 3.251 10 5 EGBERN CCOc1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC001289505256 1382001822 /nfs/dbraw/zinc/00/18/22/1382001822.db2.gz OFTBZELUIAJSGZ-KPKJPENVSA-N 0 0 340.379 3.366 10 5 EGBERN CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001289509034 1382001840 /nfs/dbraw/zinc/00/18/40/1382001840.db2.gz VMNNDKBCNLUAMF-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cnnc3)c2)c1C ZINC001289890403 1382016727 /nfs/dbraw/zinc/01/67/27/1382016727.db2.gz DITRGNNTKJETKC-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328479168 1388759475 /nfs/dbraw/zinc/75/94/75/1388759475.db2.gz FAPUECBZMLRAJK-PPKCKEKNSA-N 0 0 336.298 3.091 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(O)c1 ZINC001292083368 1382167949 /nfs/dbraw/zinc/16/79/49/1382167949.db2.gz MAKDICDDFWWSRS-UHFFFAOYSA-N 0 0 332.331 3.490 10 5 EGBERN Cc1cc(Cl)c(C(=O)NCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001292873569 1382223648 /nfs/dbraw/zinc/22/36/48/1382223648.db2.gz XITJBTAESGHWDV-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(O)c(F)cc1F ZINC001160909926 1382231456 /nfs/dbraw/zinc/23/14/56/1382231456.db2.gz LZQGHPQOAFGLMI-UHFFFAOYSA-N 0 0 340.307 3.309 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC001294222073 1382429048 /nfs/dbraw/zinc/42/90/48/1382429048.db2.gz UOZLGZMHKSDAPG-NXEZZACHSA-N 0 0 328.821 3.143 10 5 EGBERN C[C@H](CCc1ccc(O)cc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001294906417 1382521587 /nfs/dbraw/zinc/52/15/87/1382521587.db2.gz ZKUJJJBUJNOFGQ-LLVKDONJSA-N 0 0 332.331 3.191 10 5 EGBERN CCc1ccc(C(=O)NCC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001161874460 1382535793 /nfs/dbraw/zinc/53/57/93/1382535793.db2.gz NTMFMSVSFLNRNA-UHFFFAOYSA-N 0 0 334.416 3.218 10 5 EGBERN COc1ccc(F)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162184975 1382651618 /nfs/dbraw/zinc/65/16/18/1382651618.db2.gz SACQSDUXPNPFBJ-SECBINFHSA-N 0 0 333.319 3.015 10 5 EGBERN Cc1ccc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC001162515922 1382779374 /nfs/dbraw/zinc/77/93/74/1382779374.db2.gz RNGLEGYRWQZFIT-UHFFFAOYSA-N 0 0 328.294 3.310 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[C@H](CO)CC2)cc1C ZINC001162786762 1382872997 /nfs/dbraw/zinc/87/29/97/1382872997.db2.gz MFGMUWDXKLBCQC-JOCQHMNTSA-N 0 0 336.388 3.043 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC001162819120 1382884927 /nfs/dbraw/zinc/88/49/27/1382884927.db2.gz PHHHVZVVGCBNCV-UHFFFAOYSA-N 0 0 327.171 3.198 10 5 EGBERN COc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC001162855387 1382896468 /nfs/dbraw/zinc/89/64/68/1382896468.db2.gz HXRKZPTXUBBWRR-UHFFFAOYSA-N 0 0 338.247 3.452 10 5 EGBERN COCC1(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CCC1 ZINC001163160056 1382980753 /nfs/dbraw/zinc/98/07/53/1382980753.db2.gz OPLVHWYRCWMWFZ-UHFFFAOYSA-N 0 0 335.791 3.447 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCCSC3)c2c1 ZINC001163419110 1383048153 /nfs/dbraw/zinc/04/81/53/1383048153.db2.gz GNEAYJBUNOGPJR-LLVKDONJSA-N 0 0 333.413 3.129 10 5 EGBERN COc1ccc(F)c(CNc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001163764119 1383119727 /nfs/dbraw/zinc/11/97/27/1383119727.db2.gz IZMVWLHAUUYYPR-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001297150936 1383122923 /nfs/dbraw/zinc/12/29/23/1383122923.db2.gz UEEIBWMJFKHVFZ-JTQLQIEISA-N 0 0 334.759 3.374 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C)c1Cl ZINC001163952129 1383139091 /nfs/dbraw/zinc/13/90/91/1383139091.db2.gz LKIQEXHJPQXJIQ-UHFFFAOYSA-N 0 0 326.765 3.254 10 5 EGBERN CS(=O)(=O)c1ccc(NCc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC001163978912 1383142678 /nfs/dbraw/zinc/14/26/78/1383142678.db2.gz GJEAGAAPOWBTGY-UHFFFAOYSA-N 0 0 345.380 3.092 10 5 EGBERN CCc1c[nH]c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n1 ZINC001164125318 1383158682 /nfs/dbraw/zinc/15/86/82/1383158682.db2.gz UZDQANHSAIATOJ-UHFFFAOYSA-N 0 0 331.763 3.116 10 5 EGBERN C[C@H](CC(N)=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC001164249662 1383171343 /nfs/dbraw/zinc/17/13/43/1383171343.db2.gz OOFMVKVOIKCOFQ-SECBINFHSA-N 0 0 334.763 3.366 10 5 EGBERN O=C(NCc1cccc(-c2cnco2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001164277712 1383174124 /nfs/dbraw/zinc/17/41/24/1383174124.db2.gz QSVMLLHNYBSPOE-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN COC(=O)CC1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC001164287880 1383174777 /nfs/dbraw/zinc/17/47/77/1383174777.db2.gz HYRVJOFHOQLUAI-UHFFFAOYSA-N 0 0 344.371 3.073 10 5 EGBERN COc1ccc([C@H](C)CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001164673427 1383216332 /nfs/dbraw/zinc/21/63/32/1383216332.db2.gz MQQWDKPUEBGBFK-CYBMUJFWSA-N 0 0 349.408 3.489 10 5 EGBERN COC(=O)c1ccc(OC[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC001165287940 1383267086 /nfs/dbraw/zinc/26/70/86/1383267086.db2.gz CBWLQODRTROTKK-AWEZNQCLSA-N 0 0 349.383 3.357 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1Cn1nnc2ccccc21 ZINC001165364756 1383281463 /nfs/dbraw/zinc/28/14/63/1383281463.db2.gz YGBOKDCHUKTCLU-UHFFFAOYSA-N 0 0 333.145 3.150 10 5 EGBERN O=c1cc(COc2ccc([N+](=O)[O-])c(F)c2)nc(-c2ccccc2)[nH]1 ZINC001165569820 1383311698 /nfs/dbraw/zinc/31/16/98/1383311698.db2.gz GPYIXOLFMZFMAX-UHFFFAOYSA-N 0 0 341.298 3.476 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001165706282 1383329180 /nfs/dbraw/zinc/32/91/80/1383329180.db2.gz HBIKOOOEXGHWOX-UHFFFAOYSA-N 0 0 337.807 3.483 10 5 EGBERN O=[N+]([O-])c1cnn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC001166681914 1383459524 /nfs/dbraw/zinc/45/95/24/1383459524.db2.gz BTZPJBUHXDCLFU-UHFFFAOYSA-N 0 0 346.350 3.087 10 5 EGBERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC001299161077 1383478175 /nfs/dbraw/zinc/47/81/75/1383478175.db2.gz WWSBMSRWMBKCMD-NSHDSACASA-N 0 0 331.347 3.019 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001166986419 1383510149 /nfs/dbraw/zinc/51/01/49/1383510149.db2.gz CKVMXYLLCPPZMV-UHFFFAOYSA-N 0 0 346.427 3.433 10 5 EGBERN CSc1cncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001299588054 1383581238 /nfs/dbraw/zinc/58/12/38/1383581238.db2.gz UYWYADBHAWRULE-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001299753051 1383626261 /nfs/dbraw/zinc/62/62/61/1383626261.db2.gz YNWPBMDWGSLWRL-FUHWJXTLSA-N 0 0 344.342 3.279 10 5 EGBERN CCOc1cccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001299932197 1383635443 /nfs/dbraw/zinc/63/54/43/1383635443.db2.gz OTVJWZPQXPRDKP-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001301439893 1383716052 /nfs/dbraw/zinc/71/60/52/1383716052.db2.gz BNQIJXYPRRKNOA-AWEZNQCLSA-N 0 0 346.770 3.120 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(F)c(O)c1 ZINC001301919102 1383736364 /nfs/dbraw/zinc/73/63/64/1383736364.db2.gz HYVLPKIZYPRAIX-UHFFFAOYSA-N 0 0 342.685 3.162 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001303275996 1383791060 /nfs/dbraw/zinc/79/10/60/1383791060.db2.gz KGIYUGVWJGHWRW-JOCQHMNTSA-N 0 0 348.399 3.062 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1C[C@@H]1C ZINC001306086251 1383872709 /nfs/dbraw/zinc/87/27/09/1383872709.db2.gz DQQWGVOJEDDSNP-ZFWWWQNUSA-N 0 0 343.431 3.084 10 5 EGBERN CN(CCCOc1ccccc1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC001306917403 1383920470 /nfs/dbraw/zinc/92/04/70/1383920470.db2.gz QLLHNZXYWJDHLV-UHFFFAOYSA-N 0 0 334.347 3.132 10 5 EGBERN COc1ccc2c(c1)CCN2c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001306945292 1383924195 /nfs/dbraw/zinc/92/41/95/1383924195.db2.gz YGCUGDRJQYNVIK-UHFFFAOYSA-N 0 0 342.277 3.050 10 5 EGBERN C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC001306962380 1383926535 /nfs/dbraw/zinc/92/65/35/1383926535.db2.gz NPUFVMKTMCGCPB-GHMZBOCLSA-N 0 0 347.337 3.135 10 5 EGBERN CN(C)c1nc(CNc2nccc3c2cccc3[N+](=O)[O-])cs1 ZINC001306986446 1383929883 /nfs/dbraw/zinc/92/98/83/1383929883.db2.gz NVCFSSBSCCNKLJ-UHFFFAOYSA-N 0 0 329.385 3.278 10 5 EGBERN Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1c([N+](=O)[O-])cnn1C)CC3 ZINC001307080155 1383937754 /nfs/dbraw/zinc/93/77/54/1383937754.db2.gz IVOOIYYYEJYZFH-NSHDSACASA-N 0 0 325.372 3.087 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[C@H]1OC ZINC001307079991 1383937832 /nfs/dbraw/zinc/93/78/32/1383937832.db2.gz GHAOZNQFQLECAI-NOZJJQNGSA-N 0 0 342.779 3.262 10 5 EGBERN Cc1ccsc1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001307079706 1383937866 /nfs/dbraw/zinc/93/78/66/1383937866.db2.gz VZAQGBFXHCKXET-UHFFFAOYSA-N 0 0 334.323 3.372 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)c(F)c2)c(F)c1 ZINC001307086262 1383938549 /nfs/dbraw/zinc/93/85/49/1383938549.db2.gz SRWLTRYYXOOQHI-LBPRGKRZSA-N 0 0 329.690 3.067 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(C)ccc2F)c1 ZINC001307107781 1383940669 /nfs/dbraw/zinc/94/06/69/1383940669.db2.gz DKKMFXAVBVOIDG-UHFFFAOYSA-N 0 0 332.331 3.465 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)nc(Cl)c2)c1 ZINC001307148458 1383945298 /nfs/dbraw/zinc/94/52/98/1383945298.db2.gz RBCFEACYQKOQID-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001307147583 1383945869 /nfs/dbraw/zinc/94/58/69/1383945869.db2.gz YJPVFKRWEJGJFP-NEPJUHHUSA-N 0 0 326.418 3.235 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@H](O)C2CCCC2)c(C(F)(F)F)c1 ZINC001307192555 1383954217 /nfs/dbraw/zinc/95/42/17/1383954217.db2.gz ZULUNBKDZIMIFV-LBPRGKRZSA-N 0 0 333.310 3.362 10 5 EGBERN COc1ccc(OC)c([C@@H](O)[C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001307204145 1383956099 /nfs/dbraw/zinc/95/60/99/1383956099.db2.gz OIJYMUAAROOEDS-SGTLLEGYSA-N 0 0 346.383 3.454 10 5 EGBERN CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307206716 1383957001 /nfs/dbraw/zinc/95/70/01/1383957001.db2.gz SLGZKOBGFQBPCJ-OAHLLOKOSA-N 0 0 335.404 3.431 10 5 EGBERN COc1ccccc1N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307231038 1383962084 /nfs/dbraw/zinc/96/20/84/1383962084.db2.gz FOVKDIDJDHHAJJ-UHFFFAOYSA-N 0 0 327.384 3.320 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CF)c1ccc(F)cc1 ZINC001308020912 1384076747 /nfs/dbraw/zinc/07/67/47/1384076747.db2.gz XIAPLWNHYWBYEA-AWEZNQCLSA-N 0 0 349.337 3.281 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(Nc2ccc(F)cc2)C1 ZINC001170239522 1384273523 /nfs/dbraw/zinc/27/35/23/1384273523.db2.gz DILSUUYESXPWTB-UHFFFAOYSA-N 0 0 347.321 3.118 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001312362750 1384343204 /nfs/dbraw/zinc/34/32/04/1384343204.db2.gz PVLDHCJEZVFMKK-XJKSGUPXSA-N 0 0 347.415 3.229 10 5 EGBERN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC1(C)C ZINC001312890758 1384377776 /nfs/dbraw/zinc/37/77/76/1384377776.db2.gz FLJRPCIBOLTANS-CVEARBPZSA-N 0 0 331.416 3.487 10 5 EGBERN CC(C)(NC(=O)NCc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC001313275709 1384406733 /nfs/dbraw/zinc/40/67/33/1384406733.db2.gz KDFPRWCUJWHSBW-UHFFFAOYSA-N 0 0 344.371 3.195 10 5 EGBERN C[C@H](CNC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001313295908 1384408501 /nfs/dbraw/zinc/40/85/01/1384408501.db2.gz DSLMPXHOKZHBTJ-HOSILWTGSA-N 0 0 331.416 3.434 10 5 EGBERN C[C@@H](CNC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001313353440 1384412451 /nfs/dbraw/zinc/41/24/51/1384412451.db2.gz VEESIAPXINBUDO-LBPRGKRZSA-N 0 0 347.346 3.438 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS1 ZINC001313560309 1384426502 /nfs/dbraw/zinc/42/65/02/1384426502.db2.gz DZGKNJSDRJYNDA-AWEZNQCLSA-N 0 0 347.444 3.205 10 5 EGBERN CC[C@H](C)Oc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001174843102 1385158727 /nfs/dbraw/zinc/15/87/27/1385158727.db2.gz MCCNVTJSXPJEEW-VIFPVBQESA-N 0 0 348.334 3.141 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001176489222 1385603571 /nfs/dbraw/zinc/60/35/71/1385603571.db2.gz XSHPXHKCEGHLOR-GJQVQUKXSA-N 0 0 326.356 3.216 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc3sc(C)nc3c2)c1[N+](=O)[O-] ZINC001178576166 1386254140 /nfs/dbraw/zinc/25/41/40/1386254140.db2.gz RMVVAAHJFSOWOF-UHFFFAOYSA-N 0 0 343.368 3.202 10 5 EGBERN CC[C@H]1CCCc2sc(NC(=O)c3cc([N+](=O)[O-])cnc3N)nc21 ZINC001179842216 1386604566 /nfs/dbraw/zinc/60/45/66/1386604566.db2.gz WBLYUOBLPWQLLH-QMMMGPOBSA-N 0 0 347.400 3.111 10 5 EGBERN O=C(N1CC[C@H]2OCCC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329754043 1389218924 /nfs/dbraw/zinc/21/89/24/1389218924.db2.gz IPKJOFOTNWJGCB-WMLDXEAASA-N 0 0 344.411 3.044 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)C[C@@H]2CCC2(F)F)c1 ZINC001329763995 1389221981 /nfs/dbraw/zinc/22/19/81/1389221981.db2.gz ZJPYOYBALWQBGT-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001330529250 1389446306 /nfs/dbraw/zinc/44/63/06/1389446306.db2.gz NIYMWCAEUCUTSM-LEWSCRJBSA-N 0 0 326.393 3.472 10 5 EGBERN O=C(NCCC1SCCS1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001330968174 1389580177 /nfs/dbraw/zinc/58/01/77/1389580177.db2.gz COCXKBDHOBBARW-UHFFFAOYSA-N 0 0 338.410 3.267 10 5 EGBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001331739835 1389864411 /nfs/dbraw/zinc/86/44/11/1389864411.db2.gz YHYFDIYTOYWDLN-LLVKDONJSA-N 0 0 338.791 3.327 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332974382 1390228368 /nfs/dbraw/zinc/22/83/68/1390228368.db2.gz BBUNTTGNPPUWNY-AWEZNQCLSA-N 0 0 335.404 3.071 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001333370945 1390291682 /nfs/dbraw/zinc/29/16/82/1390291682.db2.gz XMGZMTJRONAWLZ-QNSHHTMESA-N 0 0 346.280 3.171 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001333462550 1390310411 /nfs/dbraw/zinc/31/04/11/1390310411.db2.gz VSYTXUDRKGLSKO-CYBMUJFWSA-N 0 0 338.429 3.008 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001333801004 1390406617 /nfs/dbraw/zinc/40/66/17/1390406617.db2.gz USFKTWFKCRACRR-IEBDPFPHSA-N 0 0 341.314 3.159 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001334605236 1390562046 /nfs/dbraw/zinc/56/20/46/1390562046.db2.gz CNERUVBXOKROAY-SJORKVTESA-N 0 0 346.358 3.222 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(C)C)[nH]1 ZINC001342637395 1390634906 /nfs/dbraw/zinc/63/49/06/1390634906.db2.gz QDIMWPUVDZLJKT-LBPRGKRZSA-N 0 0 331.376 3.044 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC[C@H]1CCOC1 ZINC001335180451 1390651693 /nfs/dbraw/zinc/65/16/93/1390651693.db2.gz HEZWFLQOTCGLDH-LLVKDONJSA-N 0 0 327.764 3.151 10 5 EGBERN CCCc1ccccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001344280336 1390779179 /nfs/dbraw/zinc/77/91/79/1390779179.db2.gz ITDRZTWWSUCJOL-UHFFFAOYSA-N 0 0 329.356 3.304 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[C@]12CCOC2 ZINC001345144226 1390841229 /nfs/dbraw/zinc/84/12/29/1390841229.db2.gz RFKVFWKVZSDLDV-OZVIIMIRSA-N 0 0 337.397 3.045 10 5 EGBERN CCc1ccc(C(=O)OC[C@@]23CCC[C@]2(OC)OCC3)cc1[N+](=O)[O-] ZINC001345629979 1390870283 /nfs/dbraw/zinc/87/02/83/1390870283.db2.gz FEIXLKGDSMQSIM-ROUUACIJSA-N 0 0 349.383 3.247 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001345689775 1390876729 /nfs/dbraw/zinc/87/67/29/1390876729.db2.gz NWQHWLCLMRZBQM-GFCCVEGCSA-N 0 0 325.361 3.039 10 5 EGBERN COc1ccc(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC001345746549 1390882623 /nfs/dbraw/zinc/88/26/23/1390882623.db2.gz UJXDUYBPGKNNQE-ZDUSSCGKSA-N 0 0 349.387 3.217 10 5 EGBERN O=C(OC[C@H]1CCO1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001346034593 1390902141 /nfs/dbraw/zinc/90/21/41/1390902141.db2.gz HEAVTDZAINNWAE-OAHLLOKOSA-N 0 0 343.335 3.120 10 5 EGBERN C[C@H](NC(=O)N1CC(Oc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001346104126 1390907776 /nfs/dbraw/zinc/90/77/76/1390907776.db2.gz RXKXMQWFLWBPQO-ZDUSSCGKSA-N 0 0 341.367 3.129 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001346817673 1390980383 /nfs/dbraw/zinc/98/03/83/1390980383.db2.gz CMOUGBJHEGGMOZ-BXKDBHETSA-N 0 0 347.289 3.472 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001347370574 1391062519 /nfs/dbraw/zinc/06/25/19/1391062519.db2.gz OCDYMYLIAUWOTD-DOTOQJQBSA-N 0 0 346.383 3.154 10 5 EGBERN COc1ccc(NC(=O)NCC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC001347520506 1391087004 /nfs/dbraw/zinc/08/70/04/1391087004.db2.gz HFQSRESUOOBLGP-CYBMUJFWSA-N 0 0 329.303 3.160 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC2CCC(F)CC2)c1F ZINC001347804956 1391126992 /nfs/dbraw/zinc/12/69/92/1391126992.db2.gz DXRBCRBBZDAKMR-UHFFFAOYSA-N 0 0 330.306 3.440 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCCc3ccccc32)n1 ZINC001347829335 1391131297 /nfs/dbraw/zinc/13/12/97/1391131297.db2.gz BXUHSLNEMZQXRN-KRWDZBQOSA-N 0 0 325.368 3.448 10 5 EGBERN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001347877452 1391139648 /nfs/dbraw/zinc/13/96/48/1391139648.db2.gz JYUSUFWSBZSDFP-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1C ZINC001347892419 1391142059 /nfs/dbraw/zinc/14/20/59/1391142059.db2.gz XSYPWOFMONEEED-UHFFFAOYSA-N 0 0 345.403 3.400 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001348254059 1391192965 /nfs/dbraw/zinc/19/29/65/1391192965.db2.gz JKQUOTRRLFOHAU-HOCLYGCPSA-N 0 0 343.383 3.250 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC001348467808 1391223653 /nfs/dbraw/zinc/22/36/53/1391223653.db2.gz UBJNTTCTPHNXBY-LLVKDONJSA-N 0 0 325.324 3.049 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC2([C@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348591597 1391242406 /nfs/dbraw/zinc/24/24/06/1391242406.db2.gz ODKMGQPCASHJHM-CZUORRHYSA-N 0 0 347.415 3.365 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001348803069 1391269433 /nfs/dbraw/zinc/26/94/33/1391269433.db2.gz CGWAPDVLLYAMAP-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(Oc1ccc(N2CCCC2=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001349017967 1391296916 /nfs/dbraw/zinc/29/69/16/1391296916.db2.gz HYFNGIHOMCBMFP-UHFFFAOYSA-N 0 0 344.298 3.080 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c(F)c1 ZINC001349145832 1391306539 /nfs/dbraw/zinc/30/65/39/1391306539.db2.gz UILNFUKYMLTJNY-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001349845399 1391374935 /nfs/dbraw/zinc/37/49/35/1391374935.db2.gz BTYJUEZSBUSXEZ-ZBFHGGJFSA-N 0 0 333.388 3.469 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnc(OC(F)F)c1 ZINC001349899808 1391383121 /nfs/dbraw/zinc/38/31/21/1391383121.db2.gz SFZUNSXCQZDAKY-UHFFFAOYSA-N 0 0 337.282 3.460 10 5 EGBERN C[C@@H](OC(=O)Cc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001350190586 1391427039 /nfs/dbraw/zinc/42/70/39/1391427039.db2.gz UUKZMDAWPQHIOY-GFCCVEGCSA-N 0 0 339.351 3.328 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001350312453 1391445563 /nfs/dbraw/zinc/44/55/63/1391445563.db2.gz VSROBXAKCMXPLC-UHFFFAOYSA-N 0 0 347.245 3.004 10 5 EGBERN Cc1ccc(NC(=O)c2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC001350451485 1391466996 /nfs/dbraw/zinc/46/69/96/1391466996.db2.gz TZKYLXZOWNZQCO-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN COc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(OC)c1 ZINC001350880214 1391549566 /nfs/dbraw/zinc/54/95/66/1391549566.db2.gz RNIZOEIMQUFEHZ-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN Cc1cccc(C)c1OC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001351201559 1391610220 /nfs/dbraw/zinc/61/02/20/1391610220.db2.gz JJMDCLWRWPBIRK-UHFFFAOYSA-N 0 0 338.323 3.012 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001351335734 1391628640 /nfs/dbraw/zinc/62/86/40/1391628640.db2.gz GPVCAEDIEXYUGV-LLVKDONJSA-N 0 0 325.324 3.049 10 5 EGBERN Cc1ccnc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])c1 ZINC001352067342 1391754613 /nfs/dbraw/zinc/75/46/13/1391754613.db2.gz WAUBUFVMTTUJEH-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001352646287 1391827682 /nfs/dbraw/zinc/82/76/82/1391827682.db2.gz CJOUZGUGPKEPFS-QWHCGFSZSA-N 0 0 345.286 3.384 10 5 EGBERN Cc1ccccc1[C@@H](C)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001352657542 1391829190 /nfs/dbraw/zinc/82/91/90/1391829190.db2.gz JATANOOQARZBBB-CYBMUJFWSA-N 0 0 342.351 3.189 10 5 EGBERN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC001352702918 1391833895 /nfs/dbraw/zinc/83/38/95/1391833895.db2.gz JBRPIOGXSGRUCS-UHFFFAOYSA-N 0 0 343.339 3.197 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1OC ZINC001353035438 1391917289 /nfs/dbraw/zinc/91/72/89/1391917289.db2.gz MEPUVWNLVPFDFY-UHFFFAOYSA-N 0 0 348.330 3.418 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC001353570318 1392041825 /nfs/dbraw/zinc/04/18/25/1392041825.db2.gz FYJDHPJSVIUFKZ-SNVBAGLBSA-N 0 0 335.360 3.129 10 5 EGBERN CCOc1cc(NC(=O)c2ocnc2CC)c([N+](=O)[O-])cc1OCC ZINC001353840628 1392101681 /nfs/dbraw/zinc/10/16/81/1392101681.db2.gz AJKODPHVWZBQJO-UHFFFAOYSA-N 0 0 349.343 3.195 10 5 EGBERN Cc1cc(F)c(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC001353901131 1392106730 /nfs/dbraw/zinc/10/67/30/1392106730.db2.gz PFZMDMYKNAGFEZ-UHFFFAOYSA-N 0 0 332.306 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1c(C(F)F)nc2cnccn21 ZINC001354088441 1392119818 /nfs/dbraw/zinc/11/98/18/1392119818.db2.gz DCANFNKYMBEWDZ-UHFFFAOYSA-N 0 0 348.265 3.103 10 5 EGBERN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H]1C ZINC001354775166 1392168279 /nfs/dbraw/zinc/16/82/79/1392168279.db2.gz GTTCHZMYMQPZQP-VNHYZAJKSA-N 0 0 342.399 3.335 10 5 EGBERN COc1c(C(=O)N(C)[C@@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC001355111145 1392194055 /nfs/dbraw/zinc/19/40/55/1392194055.db2.gz GCSSWCPYIGJPGG-NSHDSACASA-N 0 0 334.397 3.368 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001355120693 1392195137 /nfs/dbraw/zinc/19/51/37/1392195137.db2.gz WWSSAXFTHGCEHQ-UHFFFAOYSA-N 0 0 329.308 3.047 10 5 EGBERN CN(CCN(C)C(=O)C12CCC(CC1)C2)Cc1ccccc1[N+](=O)[O-] ZINC001496729319 1396725311 /nfs/dbraw/zinc/72/53/11/1396725311.db2.gz HOKLPIYMLZSXLW-UHFFFAOYSA-N 0 0 345.443 3.065 10 5 EGBERN CC(C)CC1(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001690959040 1404867453 /nfs/dbraw/zinc/86/74/53/1404867453.db2.gz HDNKROBOOQIJPK-UHFFFAOYSA-N 0 0 347.459 3.359 10 5 EGBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001693607565 1406029007 /nfs/dbraw/zinc/02/90/07/1406029007.db2.gz ZPSAEIUULWWVEC-ABAIWWIYSA-N 0 0 327.388 3.280 10 5 EGBERN CCCn1c(C(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001709742362 1417450325 /nfs/dbraw/zinc/45/03/25/1417450325.db2.gz ZHUBBVHFBHFDKY-UHFFFAOYSA-N 0 0 331.420 3.399 10 5 EGBERN COC(=O)c1ccc(Sc2ccccc2C(=O)OC)c([N+](=O)[O-])c1 ZINC000097673621 219046161 /nfs/dbraw/zinc/04/61/61/219046161.db2.gz MAQWCDYCXJXWQU-UHFFFAOYSA-N 0 0 347.348 3.319 10 5 EGBERN CCC(CC)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000367181285 282173751 /nfs/dbraw/zinc/17/37/51/282173751.db2.gz XUDXOKQPNOURKM-OWCLPIDISA-N 0 0 331.416 3.141 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCSC1 ZINC000058232489 214513009 /nfs/dbraw/zinc/51/30/09/214513009.db2.gz YHJKJSKNWKVZHL-AWEZNQCLSA-N 0 0 343.408 3.138 10 5 EGBERN CC[C@@H](NC(=O)CCc1nnc(C(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000177805678 529594220 /nfs/dbraw/zinc/59/42/20/529594220.db2.gz GJZAQGVQDRFVGT-CQSZACIVSA-N 0 0 346.387 3.301 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131558622 529605099 /nfs/dbraw/zinc/60/50/99/529605099.db2.gz SBKOLDNGGCJVSO-MRXNPFEDSA-N 0 0 335.404 3.114 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000171578018 529761208 /nfs/dbraw/zinc/76/12/08/529761208.db2.gz MKXHKFBORUPUTD-HNNXBMFYSA-N 0 0 342.399 3.139 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000177953637 232040975 /nfs/dbraw/zinc/04/09/75/232040975.db2.gz YVLKGNXLJHIUMG-FZMZJTMJSA-N 0 0 326.418 3.146 10 5 EGBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCOC1)c1ccccc1 ZINC000065587658 214968658 /nfs/dbraw/zinc/96/86/58/214968658.db2.gz LDEAZALOTBUVKJ-AWEZNQCLSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1nc([C@@H]2CCCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)no1 ZINC000370933437 168552786 /nfs/dbraw/zinc/55/27/86/168552786.db2.gz CUOKXQHPBMMTMG-VSGCLNPGSA-N 0 0 342.355 3.053 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066713445 215072171 /nfs/dbraw/zinc/07/21/71/215072171.db2.gz MBVIPHCLHJEESP-YPMHNXCESA-N 0 0 332.381 3.259 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](CO)c1ccccc1 ZINC000179779756 233432486 /nfs/dbraw/zinc/43/24/86/233432486.db2.gz IFSYOSUQELWVNI-MRXNPFEDSA-N 0 0 342.395 3.026 10 5 EGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1sccc1Br ZINC000104297986 219371997 /nfs/dbraw/zinc/37/19/97/219371997.db2.gz DEGRPFCPTJDUPX-UHFFFAOYSA-N 0 0 334.176 3.128 10 5 EGBERN COc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040649530 213363942 /nfs/dbraw/zinc/36/39/42/213363942.db2.gz ATYWXIFFAVAADN-UHFFFAOYSA-N 0 0 329.360 3.492 10 5 EGBERN O=[N+]([O-])c1c(NCCc2ccccc2)ncnc1N1CCCCCC1 ZINC000040609975 213357497 /nfs/dbraw/zinc/35/74/97/213357497.db2.gz CQQVWIKPYZDCQN-UHFFFAOYSA-N 0 0 341.415 3.420 10 5 EGBERN O=C1NC(=Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000001851516 209798750 /nfs/dbraw/zinc/79/87/50/209798750.db2.gz WXSSEKVXPUBOHR-JYRVWZFOSA-N 0 0 343.726 3.346 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1OCc1csc(-c2ncccn2)n1 ZINC000069512417 215452223 /nfs/dbraw/zinc/45/22/23/215452223.db2.gz HVXXHEQNXDNQIJ-UHFFFAOYSA-N 0 0 332.316 3.226 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000184601837 235444305 /nfs/dbraw/zinc/44/43/05/235444305.db2.gz CBNAZPIQBOPLHF-GFCCVEGCSA-N 0 0 349.387 3.099 10 5 EGBERN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037975666 213179240 /nfs/dbraw/zinc/17/92/40/213179240.db2.gz KUUBYVQRYXBHTK-JTQLQIEISA-N 0 0 334.825 3.351 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@H]2CCCO2)CC1 ZINC000187528138 236235817 /nfs/dbraw/zinc/23/58/17/236235817.db2.gz XAGSREUBTYJXNK-QGZVFWFLSA-N 0 0 343.383 3.107 10 5 EGBERN C[C@H]1N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368222558 291177659 /nfs/dbraw/zinc/17/76/59/291177659.db2.gz LYPLQVBTJGOZAP-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000072064428 216001016 /nfs/dbraw/zinc/00/10/16/216001016.db2.gz ZDUTUBHMJBJREC-AWEZNQCLSA-N 0 0 339.395 3.084 10 5 EGBERN O=C(CCc1ccccc1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129555815 223068527 /nfs/dbraw/zinc/06/85/27/223068527.db2.gz DXLUQZYKJBWTHB-UHFFFAOYSA-N 0 0 340.379 3.424 10 5 EGBERN O=C(NC(=S)Nc1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1 ZINC000000143309 209447482 /nfs/dbraw/zinc/44/74/82/209447482.db2.gz HXFSFFNGTNOZMR-UHFFFAOYSA-N 0 0 341.801 3.437 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000193443693 240166952 /nfs/dbraw/zinc/16/69/52/240166952.db2.gz WUVOWBDWQSYSJF-CQSZACIVSA-N 0 0 342.399 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000193810330 240318132 /nfs/dbraw/zinc/31/81/32/240318132.db2.gz QDVVGAJXMUDXDG-CQSZACIVSA-N 0 0 349.368 3.138 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)s1 ZINC000195509550 240974729 /nfs/dbraw/zinc/97/47/29/240974729.db2.gz FXBPKZOXJBNGPY-UHFFFAOYSA-N 0 0 341.339 3.377 10 5 EGBERN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000021125980 212209601 /nfs/dbraw/zinc/20/96/01/212209601.db2.gz YGMYQOOMERDVBJ-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 ZINC000019473398 212031184 /nfs/dbraw/zinc/03/11/84/212031184.db2.gz LPNHSEWZBYBNCV-UHFFFAOYSA-N 0 0 337.129 3.249 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000078850188 217134259 /nfs/dbraw/zinc/13/42/59/217134259.db2.gz MGBXMZNUEAYVIN-UHFFFAOYSA-N 0 0 344.392 3.144 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000376100869 168867050 /nfs/dbraw/zinc/86/70/50/168867050.db2.gz HCHBQOHQBLKCPR-PCUGXKRQSA-N 0 0 326.356 3.085 10 5 EGBERN O=c1c([N+](=O)[O-])c(NCCCC2CCCCC2)nc2ccccn21 ZINC000084606518 217620974 /nfs/dbraw/zinc/62/09/74/217620974.db2.gz FQQYPXJAROPHCA-UHFFFAOYSA-N 0 0 330.388 3.375 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@H]1c1ccncc1 ZINC000363856018 296227208 /nfs/dbraw/zinc/22/72/08/296227208.db2.gz IPCNPMCYPNYJQV-INIZCTEOSA-N 0 0 326.356 3.142 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378384612 169111856 /nfs/dbraw/zinc/11/18/56/169111856.db2.gz BURXZINNHMNRQS-NVXWUHKLSA-N 0 0 326.352 3.102 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000378593347 169144188 /nfs/dbraw/zinc/14/41/88/169144188.db2.gz DZYAVFGLUCCOME-UHFFFAOYSA-N 0 0 338.363 3.208 10 5 EGBERN CC1CN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407980636 169154753 /nfs/dbraw/zinc/15/47/53/169154753.db2.gz NFKSJFDKSWQXMP-CHWSQXEVSA-N 0 0 331.416 3.169 10 5 EGBERN O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408077177 169158973 /nfs/dbraw/zinc/15/89/73/169158973.db2.gz UENOXJUXDUDZOC-IAOVAPTHSA-N 0 0 343.427 3.481 10 5 EGBERN Cc1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000092255107 218130595 /nfs/dbraw/zinc/13/05/95/218130595.db2.gz CLUJSGVGVFBIKG-UHFFFAOYSA-N 0 0 327.287 3.125 10 5 EGBERN Cc1cccc(=O)n1CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000095398928 218331668 /nfs/dbraw/zinc/33/16/68/218331668.db2.gz IMHZSPREUXFZKX-UHFFFAOYSA-N 0 0 336.779 3.006 10 5 EGBERN CC(=O)N1CCC(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095410428 218347578 /nfs/dbraw/zinc/34/75/78/218347578.db2.gz WPKMTWGJSWQHNI-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN COCCCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348735193 284871927 /nfs/dbraw/zinc/87/19/27/284871927.db2.gz MDVYUBREWQAPDR-UHFFFAOYSA-N 0 0 334.294 3.160 10 5 EGBERN CCCN(CC(C)(C)O)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000268604295 252059902 /nfs/dbraw/zinc/05/99/02/252059902.db2.gz VMBMUPHOLKHOAW-OAHLLOKOSA-N 0 0 337.420 3.238 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000154185776 285092705 /nfs/dbraw/zinc/09/27/05/285092705.db2.gz GGFSVGCKGQTCOJ-MFKMUULPSA-N 0 0 329.809 3.110 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CCc3ccc(F)c(F)c3C2)s1 ZINC000342662792 285099676 /nfs/dbraw/zinc/09/96/76/285099676.db2.gz JJQRFENSIBLSKI-UHFFFAOYSA-N 0 0 348.334 3.440 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cn2c3ccccc3nc2[C@@H](C)O)c1 ZINC000097082437 218942915 /nfs/dbraw/zinc/94/29/15/218942915.db2.gz WODQAGZNUKWIMN-LLVKDONJSA-N 0 0 327.340 3.055 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000362176202 285121642 /nfs/dbraw/zinc/12/16/42/285121642.db2.gz ARYNMSHIVUWBJX-UHFFFAOYSA-N 0 0 328.328 3.282 10 5 EGBERN Cc1cnc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cn1 ZINC000003513259 208564464 /nfs/dbraw/zinc/56/44/64/208564464.db2.gz FMAJIJFLKKPKLQ-UHFFFAOYSA-N 0 0 346.342 3.402 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2COc3c2ccc(Cl)c3Cl)nc1 ZINC000363912891 285181942 /nfs/dbraw/zinc/18/19/42/285181942.db2.gz UNIOKYMPLVZMQQ-SECBINFHSA-N 0 0 327.127 3.237 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncc(Cl)cc1Cl)CC2 ZINC000347796667 285184809 /nfs/dbraw/zinc/18/48/09/285184809.db2.gz MPAGWFXVAQQGPR-UHFFFAOYSA-N 0 0 339.182 3.250 10 5 EGBERN COc1cccc([C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119195845 221263811 /nfs/dbraw/zinc/26/38/11/221263811.db2.gz NSEPTJHIVXEXQL-IBGZPJMESA-N 0 0 342.395 3.219 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000156170099 224563952 /nfs/dbraw/zinc/56/39/52/224563952.db2.gz LSDBYQIYVXAZAW-JTQLQIEISA-N 0 0 348.378 3.485 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000156303165 224603549 /nfs/dbraw/zinc/60/35/49/224603549.db2.gz ARAZFINBRHZALP-MRXNPFEDSA-N 0 0 342.351 3.323 10 5 EGBERN CO[C@@H](C)c1nsc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000337852001 141067211 /nfs/dbraw/zinc/06/72/11/141067211.db2.gz GAQQVKOBIFJCLA-JTQLQIEISA-N 0 0 334.401 3.323 10 5 EGBERN C[C@H](Cc1cccs1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341191228 141134978 /nfs/dbraw/zinc/13/49/78/141134978.db2.gz LGUBRCMAHNUJAF-SECBINFHSA-N 0 0 340.351 3.224 10 5 EGBERN COc1c(NCc2ccc([N+](=O)[O-])cc2C)cc(Cl)cc1C(N)=O ZINC000341213795 141139482 /nfs/dbraw/zinc/13/94/82/141139482.db2.gz NWPUFNRQEVRKJW-UHFFFAOYSA-N 0 0 349.774 3.276 10 5 EGBERN COc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000341254072 141144050 /nfs/dbraw/zinc/14/40/50/141144050.db2.gz BWFAWEDIIGHPQZ-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C(F)(F)F)CC2)c1 ZINC000356268196 141332253 /nfs/dbraw/zinc/33/22/53/141332253.db2.gz BQJDZQBDCLQDGY-UHFFFAOYSA-N 0 0 346.305 3.131 10 5 EGBERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000359647716 141397917 /nfs/dbraw/zinc/39/79/17/141397917.db2.gz HUSMPOOJAFKBMG-RUXDESIVSA-N 0 0 335.404 3.123 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1C[C@H]1c1ccccc1 ZINC000340097718 142628225 /nfs/dbraw/zinc/62/82/25/142628225.db2.gz LXGWUDCBLWDMGM-WMZOPIPTSA-N 0 0 335.363 3.291 10 5 EGBERN Cc1oc(-c2ccsc2)nc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128665100 143963896 /nfs/dbraw/zinc/96/38/96/143963896.db2.gz ROMSAGIWPBOQJY-UHFFFAOYSA-N 0 0 331.353 3.138 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171613986 144007426 /nfs/dbraw/zinc/00/74/26/144007426.db2.gz ZIEQRXXPESCEIO-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000173002008 144033483 /nfs/dbraw/zinc/03/34/83/144033483.db2.gz CLHDWNWVOVYSIT-ZDUSSCGKSA-N 0 0 343.383 3.377 10 5 EGBERN CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000192386301 144173879 /nfs/dbraw/zinc/17/38/79/144173879.db2.gz JPPMAGLZCCUSTA-NSHDSACASA-N 0 0 346.309 3.432 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000117192552 152090895 /nfs/dbraw/zinc/09/08/95/152090895.db2.gz PVOSPIMYRMVWRV-UHFFFAOYSA-N 0 0 327.384 3.297 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119591669 152216616 /nfs/dbraw/zinc/21/66/16/152216616.db2.gz UTWIRFRXGTYTGY-GFCCVEGCSA-N 0 0 329.356 3.395 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000120484308 152279476 /nfs/dbraw/zinc/27/94/76/152279476.db2.gz WOTWOGLDAQOVMD-INIZCTEOSA-N 0 0 326.352 3.262 10 5 EGBERN CSCCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000123099863 152442736 /nfs/dbraw/zinc/44/27/36/152442736.db2.gz LTPYWFFPLWFUOH-UHFFFAOYSA-N 0 0 337.445 3.386 10 5 EGBERN Cc1ccc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000363872510 292275329 /nfs/dbraw/zinc/27/53/29/292275329.db2.gz NFBWDNRGPJCZRT-MRXNPFEDSA-N 0 0 343.408 3.229 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2SCC)cc1[N+](=O)[O-] ZINC000178074139 152976956 /nfs/dbraw/zinc/97/69/56/152976956.db2.gz PALRSVGWSIUDOK-IUODEOHRSA-N 0 0 338.429 3.398 10 5 EGBERN CCCOc1nc(C)ccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000188391618 153014025 /nfs/dbraw/zinc/01/40/25/153014025.db2.gz CPJXOQARBRHQLU-UHFFFAOYSA-N 0 0 343.383 3.359 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000188591187 153023765 /nfs/dbraw/zinc/02/37/65/153023765.db2.gz UHOIPQGMTMMMJX-UHFFFAOYSA-N 0 0 331.397 3.242 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189196658 153054859 /nfs/dbraw/zinc/05/48/59/153054859.db2.gz ABRHKGSKZBVSFX-UHFFFAOYSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000189577078 153080875 /nfs/dbraw/zinc/08/08/75/153080875.db2.gz LYGRDNCVOWSIQP-MRXNPFEDSA-N 0 0 326.352 3.465 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cccc(COC3CCOCC3)c2)s1 ZINC000190328450 153132043 /nfs/dbraw/zinc/13/20/43/153132043.db2.gz PRWZLVKXBVEQMP-UHFFFAOYSA-N 0 0 349.412 3.359 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000190455912 153143539 /nfs/dbraw/zinc/14/35/39/153143539.db2.gz XGIJOGOSLLAAFR-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190631406 153151618 /nfs/dbraw/zinc/15/16/18/153151618.db2.gz MHORLUZSCMTRGL-INIZCTEOSA-N 0 0 326.352 3.086 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1 ZINC000191196615 153178525 /nfs/dbraw/zinc/17/85/25/153178525.db2.gz HSBQZJGITOUEGD-UHFFFAOYSA-N 0 0 326.352 3.167 10 5 EGBERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192765172 153258374 /nfs/dbraw/zinc/25/83/74/153258374.db2.gz UCTQILLRPPLUFN-CYBMUJFWSA-N 0 0 338.371 3.360 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000193699544 153300465 /nfs/dbraw/zinc/30/04/65/153300465.db2.gz GZABODXKASGYQU-OAHLLOKOSA-N 0 0 343.358 3.285 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCCC[C@H]1CO ZINC000225271065 153426257 /nfs/dbraw/zinc/42/62/57/153426257.db2.gz KHEVDZJKPKGVBV-ONGXEEELSA-N 0 0 329.194 3.320 10 5 EGBERN CC(C)COC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342873829 155557010 /nfs/dbraw/zinc/55/70/10/155557010.db2.gz YGRDYTUHLHCYQP-UHFFFAOYSA-N 0 0 345.399 3.353 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)c1cccc([N+](=O)[O-])c1 ZINC000345202014 155992670 /nfs/dbraw/zinc/99/26/70/155992670.db2.gz GYMCXSKGYKSQJG-ZBFHGGJFSA-N 0 0 341.367 3.181 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000346861825 156168298 /nfs/dbraw/zinc/16/82/98/156168298.db2.gz GCLBLZKRWJDNGV-SCZZXKLOSA-N 0 0 347.293 3.408 10 5 EGBERN CC(C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000346891988 156183247 /nfs/dbraw/zinc/18/32/47/156183247.db2.gz DZRRAMSVLZSWSQ-AWEZNQCLSA-N 0 0 343.305 3.322 10 5 EGBERN CCc1nn(C)c(N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000354535812 156568506 /nfs/dbraw/zinc/56/85/06/156568506.db2.gz GRNYLBWZXBXDKO-GLKRBJQHSA-N 0 0 330.388 3.256 10 5 EGBERN COCc1cc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])ccc1F ZINC000360136673 156928993 /nfs/dbraw/zinc/92/89/93/156928993.db2.gz WEAJLYSKHVDDFK-UHFFFAOYSA-N 0 0 348.330 3.279 10 5 EGBERN CCc1cc(C)cc(CC)c1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000362150832 157047070 /nfs/dbraw/zinc/04/70/70/157047070.db2.gz QLMIVLVWXHMAQJ-UHFFFAOYSA-N 0 0 330.388 3.497 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109089703 162092489 /nfs/dbraw/zinc/09/24/89/162092489.db2.gz LPHYERVTIRVLCJ-UONOGXRCSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1C(C)C ZINC000110508222 162131197 /nfs/dbraw/zinc/13/11/97/162131197.db2.gz NVQHECIGLYESNZ-UHFFFAOYSA-N 0 0 343.383 3.230 10 5 EGBERN Cc1csc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CCCC2)n1 ZINC000112597703 162182046 /nfs/dbraw/zinc/18/20/46/162182046.db2.gz HPVNDEVYZCOQRE-UHFFFAOYSA-N 0 0 346.412 3.262 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000126339123 162300394 /nfs/dbraw/zinc/30/03/94/162300394.db2.gz FKDWAQSCTANDAC-BXKDBHETSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1ncsc1-c1nc(COc2ccc([N+](=O)[O-])cc2F)no1 ZINC000127221620 162324609 /nfs/dbraw/zinc/32/46/09/162324609.db2.gz SPNPFTRLCPUKBI-UHFFFAOYSA-N 0 0 336.304 3.128 10 5 EGBERN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000131012342 162388974 /nfs/dbraw/zinc/38/89/74/162388974.db2.gz CCZQLDTVFXBZIQ-SECBINFHSA-N 0 0 329.187 3.449 10 5 EGBERN O=C(NC1CCN(c2cccs2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000151070104 162567445 /nfs/dbraw/zinc/56/74/45/162567445.db2.gz XCXBXPCVESVXPY-UHFFFAOYSA-N 0 0 349.387 3.194 10 5 EGBERN C[C@H](C(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000248560812 163014405 /nfs/dbraw/zinc/01/44/05/163014405.db2.gz JKJDPAHBYXSWIB-XZJROXQQSA-N 0 0 336.363 3.007 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cnc3cnccc3c2)cc1[N+](=O)[O-] ZINC000336981776 163096988 /nfs/dbraw/zinc/09/69/88/163096988.db2.gz SPQZWHGDDJPSOO-GFCCVEGCSA-N 0 0 336.351 3.337 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2SC)n1 ZINC000337146203 163144345 /nfs/dbraw/zinc/14/43/45/163144345.db2.gz IBCMCDNLAUYVMH-JTQLQIEISA-N 0 0 334.401 3.024 10 5 EGBERN O=C(NC1(C(F)F)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000337211248 163164007 /nfs/dbraw/zinc/16/40/07/163164007.db2.gz AHFPLSJNMHFQSQ-UHFFFAOYSA-N 0 0 339.323 3.246 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338104369 163196336 /nfs/dbraw/zinc/19/63/36/163196336.db2.gz XWYNYOYFABVHBG-INIZCTEOSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000338461334 163232032 /nfs/dbraw/zinc/23/20/32/163232032.db2.gz QNQVMEBHHNTRFY-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN CCc1nc2cc(CNc3ccncc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000338483229 163241928 /nfs/dbraw/zinc/24/19/28/163241928.db2.gz BKIXQXIJCNVECD-UHFFFAOYSA-N 0 0 337.383 3.271 10 5 EGBERN COc1ccccc1CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000338693537 163320217 /nfs/dbraw/zinc/32/02/17/163320217.db2.gz YGZHWTOSBREXIX-UHFFFAOYSA-N 0 0 343.383 3.026 10 5 EGBERN CC(C)Cn1ccnc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342362790 163858009 /nfs/dbraw/zinc/85/80/09/163858009.db2.gz QZDLLWWVSUSYMD-UHFFFAOYSA-N 0 0 332.389 3.064 10 5 EGBERN Cc1ccc(C(C)(C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000343762178 164028564 /nfs/dbraw/zinc/02/85/64/164028564.db2.gz KUVYYVUFAWWHRJ-UHFFFAOYSA-N 0 0 349.337 3.170 10 5 EGBERN COc1cc(NC[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000343836382 164047237 /nfs/dbraw/zinc/04/72/37/164047237.db2.gz HEELTBASDKJXKP-ZDUSSCGKSA-N 0 0 334.347 3.006 10 5 EGBERN COc1cc(NCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1F ZINC000343836295 164047335 /nfs/dbraw/zinc/04/73/35/164047335.db2.gz HWIQWAVCWMQQDZ-UHFFFAOYSA-N 0 0 347.346 3.056 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000344097809 164102899 /nfs/dbraw/zinc/10/28/99/164102899.db2.gz WISXSIYVIKICTC-PSASIEDQSA-N 0 0 347.293 3.408 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCOC1 ZINC000344277715 164144954 /nfs/dbraw/zinc/14/49/54/164144954.db2.gz VDJAEBDSNDOVHB-LBPRGKRZSA-N 0 0 338.429 3.252 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccs1 ZINC000344395742 164169634 /nfs/dbraw/zinc/16/96/34/164169634.db2.gz JCLBHOIOQZNVKQ-VIFPVBQESA-N 0 0 326.399 3.233 10 5 EGBERN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c(OC)c1 ZINC000344412129 164172935 /nfs/dbraw/zinc/17/29/35/164172935.db2.gz DOUJKGOWDUWOCI-OAHLLOKOSA-N 0 0 329.356 3.349 10 5 EGBERN CCc1noc(-c2ccc(CCNc3ccc([N+](=O)[O-])nc3)cc2)n1 ZINC000344430621 164177430 /nfs/dbraw/zinc/17/74/30/164177430.db2.gz DKYLLMDMQTVNPH-UHFFFAOYSA-N 0 0 339.355 3.257 10 5 EGBERN CC(C)Oc1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)nc1 ZINC000345653681 164234887 /nfs/dbraw/zinc/23/48/87/164234887.db2.gz AFFJTOSENWLFTP-UHFFFAOYSA-N 0 0 341.327 3.076 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)on1 ZINC000346000303 164314482 /nfs/dbraw/zinc/31/44/82/164314482.db2.gz UWFNRJOQYUMPHN-UHFFFAOYSA-N 0 0 343.261 3.267 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000346663626 164412506 /nfs/dbraw/zinc/41/25/06/164412506.db2.gz BZSXBXSRGYMDAG-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000347608822 164530736 /nfs/dbraw/zinc/53/07/36/164530736.db2.gz KZTTUJLUWUEMFG-VHDGCEQUSA-N 0 0 336.436 3.067 10 5 EGBERN Cc1nn(Cc2nc(C3CCCC3)no2)c2ccc([N+](=O)[O-])cc12 ZINC000354922490 166063802 /nfs/dbraw/zinc/06/38/02/166063802.db2.gz RTFIWDUACYTANY-UHFFFAOYSA-N 0 0 327.344 3.342 10 5 EGBERN COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000351984439 165177224 /nfs/dbraw/zinc/17/72/24/165177224.db2.gz MHDFBCABBIQGKN-UHFFFAOYSA-N 0 0 328.368 3.170 10 5 EGBERN CNC(=O)c1ccc(CSCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352012814 165192863 /nfs/dbraw/zinc/19/28/63/165192863.db2.gz DMDLGXZXKBESQN-UHFFFAOYSA-N 0 0 346.408 3.396 10 5 EGBERN CCOc1cc(COc2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000352208502 165285056 /nfs/dbraw/zinc/28/50/56/165285056.db2.gz OZDSNVFLRPWJJV-UHFFFAOYSA-N 0 0 342.351 3.091 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000352872632 165543611 /nfs/dbraw/zinc/54/36/11/165543611.db2.gz VPFCWQJWFAKSKX-NSHDSACASA-N 0 0 332.331 3.104 10 5 EGBERN CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000353001858 165582390 /nfs/dbraw/zinc/58/23/90/165582390.db2.gz HFCOSKLXUNCDRS-UHFFFAOYSA-N 0 0 346.455 3.317 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355114269 166110409 /nfs/dbraw/zinc/11/04/09/166110409.db2.gz OSHFDOBKXDMTDX-RISCZKNCSA-N 0 0 342.342 3.197 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000355830890 166322353 /nfs/dbraw/zinc/32/23/53/166322353.db2.gz FTVDQHXDZKZTIZ-CYBMUJFWSA-N 0 0 342.342 3.318 10 5 EGBERN COc1ccc(OCc2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000355875351 166334728 /nfs/dbraw/zinc/33/47/28/166334728.db2.gz WZJPXVDGPJBENU-UHFFFAOYSA-N 0 0 333.325 3.294 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000355886629 166338279 /nfs/dbraw/zinc/33/82/79/166338279.db2.gz GGZNEONROIAYJW-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000355907077 166344234 /nfs/dbraw/zinc/34/42/34/166344234.db2.gz WNOHSPDDEJBQDG-NOLJZWGESA-N 0 0 335.404 3.160 10 5 EGBERN COc1cc(OCc2csc(N(C)C3CC3)n2)ccc1[N+](=O)[O-] ZINC000355943453 166355144 /nfs/dbraw/zinc/35/51/44/166355144.db2.gz DJBRXSHHLVEPHG-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)s1 ZINC000356045161 166385170 /nfs/dbraw/zinc/38/51/70/166385170.db2.gz ZQYAYTACXKSOEN-UHFFFAOYSA-N 0 0 343.368 3.369 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000357074483 166577607 /nfs/dbraw/zinc/57/76/07/166577607.db2.gz RZGCODMUQHBEKT-ZDUSSCGKSA-N 0 0 331.393 3.174 10 5 EGBERN Cc1cc(NC[C@@H](CO)C2CC2)c(Br)cc1[N+](=O)[O-] ZINC000357826050 166784150 /nfs/dbraw/zinc/78/41/50/166784150.db2.gz KQDXECRRZXCNMG-JTQLQIEISA-N 0 0 329.194 3.096 10 5 EGBERN CCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)n1 ZINC000358479458 166875291 /nfs/dbraw/zinc/87/52/91/166875291.db2.gz URKYTILWEOVCJQ-UHFFFAOYSA-N 0 0 330.388 3.138 10 5 EGBERN O=C(NCc1cccs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358902504 166999488 /nfs/dbraw/zinc/99/94/88/166999488.db2.gz JSKNNOVCJYCAGY-UHFFFAOYSA-N 0 0 328.296 3.188 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])o1 ZINC000358949774 167016021 /nfs/dbraw/zinc/01/60/21/167016021.db2.gz UHALIVWWBQIVID-CYBMUJFWSA-N 0 0 346.383 3.403 10 5 EGBERN CN(CC1CCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359038198 167046124 /nfs/dbraw/zinc/04/61/24/167046124.db2.gz LBHNTKOFZGKJBW-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN COc1cc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000359102733 167067572 /nfs/dbraw/zinc/06/75/72/167067572.db2.gz GYTNBUDAHZGKAQ-UHFFFAOYSA-N 0 0 347.371 3.245 10 5 EGBERN CC[C@@H](CSC)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359127115 167074500 /nfs/dbraw/zinc/07/45/00/167074500.db2.gz PVWDLNVKSDFBGS-JTQLQIEISA-N 0 0 348.371 3.410 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000359533721 167182389 /nfs/dbraw/zinc/18/23/89/167182389.db2.gz QLERUYDJUJCPCH-NSODJVPESA-N 0 0 330.388 3.485 10 5 EGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cncc(F)c1 ZINC000359556003 167192148 /nfs/dbraw/zinc/19/21/48/167192148.db2.gz TYVQCKCYHADJNS-SECBINFHSA-N 0 0 329.287 3.366 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000360523811 167348858 /nfs/dbraw/zinc/34/88/58/167348858.db2.gz CCCHTJOVEPYOJW-SJORKVTESA-N 0 0 340.379 3.332 10 5 EGBERN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000360700616 167391047 /nfs/dbraw/zinc/39/10/47/167391047.db2.gz UAXOMRVUDUFPGK-ZFWWWQNUSA-N 0 0 325.368 3.083 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(c2ccccc2F)C1 ZINC000361215643 167558181 /nfs/dbraw/zinc/55/81/81/167558181.db2.gz ZOPSNPXKBCFCSM-UHFFFAOYSA-N 0 0 343.358 3.162 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000362247972 167711442 /nfs/dbraw/zinc/71/14/42/167711442.db2.gz AEVVISAHHMUWPS-WBVHZDCISA-N 0 0 334.416 3.189 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2ccccc2)CC1 ZINC000366142295 168087484 /nfs/dbraw/zinc/08/74/84/168087484.db2.gz FTDIEHIKIPFDIT-UHFFFAOYSA-N 0 0 325.368 3.085 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1noc(-c2scnc2C)n1 ZINC000366178124 168091277 /nfs/dbraw/zinc/09/12/77/168091277.db2.gz IYGSDBSWRJTACW-UHFFFAOYSA-N 0 0 347.356 3.030 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000367561763 168242505 /nfs/dbraw/zinc/24/25/05/168242505.db2.gz CKCYHKKZAYGOKO-WMLDXEAASA-N 0 0 326.352 3.102 10 5 EGBERN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccnc1 ZINC000163900151 226027637 /nfs/dbraw/zinc/02/76/37/226027637.db2.gz VMFKSULCPZORJJ-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN CS[C@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000123224624 222238478 /nfs/dbraw/zinc/23/84/78/222238478.db2.gz MVPRJEYLOOSPAI-LBPRGKRZSA-N 0 0 333.413 3.434 10 5 EGBERN COc1ccc(F)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000088304407 264698267 /nfs/dbraw/zinc/69/82/67/264698267.db2.gz BNZPCYHURKXSIH-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173211677 264967005 /nfs/dbraw/zinc/96/70/05/264967005.db2.gz KQCNMUJYAWKSGH-UWVGGRQHSA-N 0 0 332.809 3.057 10 5 EGBERN CCc1ccc(C(=O)NCCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000174148195 265028286 /nfs/dbraw/zinc/02/82/86/265028286.db2.gz QMWYYFDDXPHKIC-UHFFFAOYSA-N 0 0 346.387 3.026 10 5 EGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174472938 265052515 /nfs/dbraw/zinc/05/25/15/265052515.db2.gz SLHYLNXAUOSOLQ-SNVBAGLBSA-N 0 0 345.403 3.006 10 5 EGBERN CC[C@@H](Nc1nc(C)nc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000174931152 265081493 /nfs/dbraw/zinc/08/14/93/265081493.db2.gz LYOIOAZZICAQRX-CQSZACIVSA-N 0 0 326.360 3.143 10 5 EGBERN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000175262906 265104259 /nfs/dbraw/zinc/10/42/59/265104259.db2.gz DKUWUWOJIXFPDH-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN CCc1nc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000176168784 265161842 /nfs/dbraw/zinc/16/18/42/265161842.db2.gz MNQIWBJTFYZXRQ-LLVKDONJSA-N 0 0 348.428 3.483 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000177309738 265245877 /nfs/dbraw/zinc/24/58/77/265245877.db2.gz JSLZXLJARDCPKF-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN CC[C@H](NC(=O)c1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000177781938 265277165 /nfs/dbraw/zinc/27/71/65/265277165.db2.gz XPMDPENDJUMBIC-AWEZNQCLSA-N 0 0 336.351 3.419 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530793 265324127 /nfs/dbraw/zinc/32/41/27/265324127.db2.gz CPWFTRACEQSHAU-LBPRGKRZSA-N 0 0 340.807 3.412 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)n1 ZINC000191573912 265916257 /nfs/dbraw/zinc/91/62/57/265916257.db2.gz ZOFUECOORBISCZ-UHFFFAOYSA-N 0 0 336.417 3.232 10 5 EGBERN COC(=O)c1cc(NCCc2ccncc2C)cc(C)c1[N+](=O)[O-] ZINC000269919850 266382224 /nfs/dbraw/zinc/38/22/24/266382224.db2.gz ATHCDPWYIINMNU-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3C)ccc21 ZINC000273471184 267044865 /nfs/dbraw/zinc/04/48/65/267044865.db2.gz ILQNDBIHABFNEM-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000273567341 267060176 /nfs/dbraw/zinc/06/01/76/267060176.db2.gz IIWKLAFHXGQLRG-UONOGXRCSA-N 0 0 346.383 3.210 10 5 EGBERN CCOc1cccc(N2CCC(Cn3cccn3)CC2)c1[N+](=O)[O-] ZINC000273819490 267116583 /nfs/dbraw/zinc/11/65/83/267116583.db2.gz CNUMOWYSZLEIDG-UHFFFAOYSA-N 0 0 330.388 3.107 10 5 EGBERN Cc1cccc(N2CCC[C@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000275504175 267369797 /nfs/dbraw/zinc/36/97/97/267369797.db2.gz TVQWHIZYBWWEDX-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN Cc1cc(Cc2noc([C@@H]3CCCc4n[nH]cc43)n2)ccc1[N+](=O)[O-] ZINC000277819218 267875741 /nfs/dbraw/zinc/87/57/41/267875741.db2.gz HLYCUEYQWQSWGJ-GFCCVEGCSA-N 0 0 339.355 3.068 10 5 EGBERN CCC(CC)[C@@H](O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278457715 268017050 /nfs/dbraw/zinc/01/70/50/268017050.db2.gz GXZKCVYCZVUSSX-ZDUSSCGKSA-N 0 0 328.796 3.084 10 5 EGBERN Cc1cncn1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000376741665 274828842 /nfs/dbraw/zinc/82/88/42/274828842.db2.gz IXMUSGLGQIQYDQ-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN Cc1nnccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347925414 274872976 /nfs/dbraw/zinc/87/29/76/274872976.db2.gz INRUJYWRUPJATQ-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN O=C1CCc2cccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C1 ZINC000353828482 275018651 /nfs/dbraw/zinc/01/86/51/275018651.db2.gz XSBOUDUUYQLDLD-UHFFFAOYSA-N 0 0 335.319 3.370 10 5 EGBERN COc1cc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccc1C ZINC000103376701 275161734 /nfs/dbraw/zinc/16/17/34/275161734.db2.gz YGZANPGKEZXBHJ-ZDUSSCGKSA-N 0 0 340.379 3.432 10 5 EGBERN COc1ccc(F)cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275069884 275252711 /nfs/dbraw/zinc/25/27/11/275252711.db2.gz ZGGGLNZZRDTWPG-UHFFFAOYSA-N 0 0 346.358 3.337 10 5 EGBERN CC1(C)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000278595927 275257494 /nfs/dbraw/zinc/25/74/94/275257494.db2.gz UPGXIWLCCFEUEN-NSHDSACASA-N 0 0 330.287 3.092 10 5 EGBERN CC1(C)CC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000278714611 275268071 /nfs/dbraw/zinc/26/80/71/275268071.db2.gz JNVAANDEWZMPQH-NSHDSACASA-N 0 0 343.177 3.253 10 5 EGBERN CCO[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280832781 275499585 /nfs/dbraw/zinc/49/95/85/275499585.db2.gz XYHOLHUTLBOZET-QMMMGPOBSA-N 0 0 331.166 3.029 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282022985 275596745 /nfs/dbraw/zinc/59/67/45/275596745.db2.gz WACFPQAAUBCJNO-CQSZACIVSA-N 0 0 341.415 3.215 10 5 EGBERN CCOC(=O)c1csc(CCNc2c(F)cccc2[N+](=O)[O-])n1 ZINC000286693682 276033914 /nfs/dbraw/zinc/03/39/14/276033914.db2.gz NYJYOUHDPVVGKV-UHFFFAOYSA-N 0 0 339.348 3.022 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000287718335 276150577 /nfs/dbraw/zinc/15/05/77/276150577.db2.gz FENCVKZXSGSHQG-YVEFUNNKSA-N 0 0 328.372 3.081 10 5 EGBERN CCc1nn(C)c(Oc2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000288271717 276196103 /nfs/dbraw/zinc/19/61/03/276196103.db2.gz ZGUKFVCEORGQAE-UHFFFAOYSA-N 0 0 330.344 3.032 10 5 EGBERN COCCC1(C)CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000289117872 276293311 /nfs/dbraw/zinc/29/33/11/276293311.db2.gz QMSYRLVQGIYBQJ-UHFFFAOYSA-N 0 0 342.399 3.223 10 5 EGBERN COc1cccc(Cl)c1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291146153 276596721 /nfs/dbraw/zinc/59/67/21/276596721.db2.gz YTWURGMSCRGUFK-UHFFFAOYSA-N 0 0 339.779 3.310 10 5 EGBERN CN(C)c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000292791678 276875923 /nfs/dbraw/zinc/87/59/23/276875923.db2.gz XWTMCFSAQGLYAM-UHFFFAOYSA-N 0 0 343.387 3.113 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268400187 277111599 /nfs/dbraw/zinc/11/15/99/277111599.db2.gz PPMCKDLGGCPVRM-HNNXBMFYSA-N 0 0 332.381 3.437 10 5 EGBERN COc1ncccc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161827890 278094117 /nfs/dbraw/zinc/09/41/17/278094117.db2.gz HXVVWDIZUPUVFF-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375594846 278664991 /nfs/dbraw/zinc/66/49/91/278664991.db2.gz BQARLNWIEZHXEM-SFHVURJKSA-N 0 0 332.400 3.163 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000355291065 279012916 /nfs/dbraw/zinc/01/29/16/279012916.db2.gz MGPLCFIPAQUQSP-BZNIZROVSA-N 0 0 336.347 3.243 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352152479 279136259 /nfs/dbraw/zinc/13/62/59/279136259.db2.gz FHFFTHPQMUZPSS-SNVBAGLBSA-N 0 0 326.308 3.041 10 5 EGBERN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366189183 281396818 /nfs/dbraw/zinc/39/68/18/281396818.db2.gz DHYLLNOFCDFBFV-KGLIPLIRSA-N 0 0 325.368 3.316 10 5 EGBERN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922276 290045966 /nfs/dbraw/zinc/04/59/66/290045966.db2.gz WMQHFVJDHXMBCG-YOEHRIQHSA-N 0 0 339.395 3.441 10 5 EGBERN COc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000350149079 295147902 /nfs/dbraw/zinc/14/79/02/295147902.db2.gz DDDBYQFPEKDANL-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000069653867 295414584 /nfs/dbraw/zinc/41/45/84/295414584.db2.gz KGKWGFWQGXGDDN-CABCVRRESA-N 0 0 326.352 3.023 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2CCN(c3ccc(F)cc3)C2)nc2sccn21 ZINC000413603608 309039266 /nfs/dbraw/zinc/03/92/66/309039266.db2.gz LCWRAIHSYRNBDY-LLVKDONJSA-N 0 0 347.375 3.134 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](CO)C2)nc1-c1ccc(F)cc1 ZINC000413617536 309039735 /nfs/dbraw/zinc/03/97/35/309039735.db2.gz TUYIOLFIGOGVPW-SWLSCSKDSA-N 0 0 345.374 3.181 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCOCC12CCCCC2 ZINC000413839205 309049634 /nfs/dbraw/zinc/04/96/34/309049634.db2.gz CPEPYFLNVWHFSP-DLBZAZTESA-N 0 0 344.411 3.260 10 5 EGBERN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000067073397 307364725 /nfs/dbraw/zinc/36/47/25/307364725.db2.gz UBPVBMSTFIAEGZ-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067502667 307365997 /nfs/dbraw/zinc/36/59/97/307365997.db2.gz CVGWXVACQNJASE-JKSUJKDBSA-N 0 0 328.393 3.359 10 5 EGBERN Cc1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413828867 309049403 /nfs/dbraw/zinc/04/94/03/309049403.db2.gz DIQUMKBLYURTDA-UHFFFAOYSA-N 0 0 329.356 3.362 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000075287842 307398590 /nfs/dbraw/zinc/39/85/90/307398590.db2.gz KVJGQIAZDXEGIO-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN CC[C@@H](C)c1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000127258135 307582044 /nfs/dbraw/zinc/58/20/44/307582044.db2.gz XIJRJPTVTNYZLY-GFCCVEGCSA-N 0 0 328.368 3.461 10 5 EGBERN Cc1csc([C@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000128121802 307595125 /nfs/dbraw/zinc/59/51/25/307595125.db2.gz WOGHYBGJMLWJOM-JTQLQIEISA-N 0 0 344.396 3.261 10 5 EGBERN Cc1ccc(F)c(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000130914326 307636162 /nfs/dbraw/zinc/63/61/62/307636162.db2.gz NTPPSIJJYSHDGB-LBPRGKRZSA-N 0 0 344.342 3.399 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000132727760 307661963 /nfs/dbraw/zinc/66/19/63/307661963.db2.gz ZTMWPTCJYCEUEP-LSDHHAIUSA-N 0 0 331.759 3.238 10 5 EGBERN CCS[C@@H](C)c1noc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153069911 307765525 /nfs/dbraw/zinc/76/55/25/307765525.db2.gz WMLITJJYSNQILH-NSHDSACASA-N 0 0 348.428 3.350 10 5 EGBERN Cc1cnc(NCCc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000292922194 308080139 /nfs/dbraw/zinc/08/01/39/308080139.db2.gz DBEKULFWKDJFFZ-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414473113 309082559 /nfs/dbraw/zinc/08/25/59/309082559.db2.gz QCPUQNAVAOTXFQ-CMPLNLGQSA-N 0 0 338.410 3.260 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414473103 309082694 /nfs/dbraw/zinc/08/26/94/309082694.db2.gz PZRBXUNJCFGVLB-DYVFJYSZSA-N 0 0 346.408 3.340 10 5 EGBERN O=c1c(Br)cn(CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000294122953 308192399 /nfs/dbraw/zinc/19/23/99/308192399.db2.gz DXALDPFVSHLOGP-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@H](C(C)C)C1 ZINC000294491192 308225993 /nfs/dbraw/zinc/22/59/93/308225993.db2.gz QRMHRVMHKMDVRF-WKOYGUFESA-N 0 0 332.400 3.272 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294569511 308233285 /nfs/dbraw/zinc/23/32/85/308233285.db2.gz MUIUHYDMLSZZLS-DLBZAZTESA-N 0 0 332.400 3.291 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000294918193 308271344 /nfs/dbraw/zinc/27/13/44/308271344.db2.gz KGKWYYRJGUYGAR-DZGCQCFKSA-N 0 0 329.356 3.287 10 5 EGBERN CC(F)(F)CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000295210555 308302901 /nfs/dbraw/zinc/30/29/01/308302901.db2.gz AJFIXPBWYQAOKZ-UHFFFAOYSA-N 0 0 327.331 3.334 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000296440816 308427882 /nfs/dbraw/zinc/42/78/82/308427882.db2.gz XLEHYYWIBNXGLB-GDBMZVCRSA-N 0 0 342.355 3.032 10 5 EGBERN CC(C)Oc1cccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000298724943 308636154 /nfs/dbraw/zinc/63/61/54/308636154.db2.gz QCENYQCRYRQDIH-LLVKDONJSA-N 0 0 344.371 3.049 10 5 EGBERN CC(C)COC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298961802 308651549 /nfs/dbraw/zinc/65/15/49/308651549.db2.gz JPCGOWSQXUBWLV-UHFFFAOYSA-N 0 0 345.399 3.353 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOc2ccc(F)c(F)c2)c(Cl)c1 ZINC000301297880 308695482 /nfs/dbraw/zinc/69/54/82/308695482.db2.gz YSTDUZJUOICUFP-UHFFFAOYSA-N 0 0 329.690 3.412 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000301432749 308700104 /nfs/dbraw/zinc/70/01/04/308700104.db2.gz HQFXEJCCEYICLL-CQSZACIVSA-N 0 0 333.432 3.280 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000301432747 308700110 /nfs/dbraw/zinc/70/01/10/308700110.db2.gz HQFXEJCCEYICLL-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN CCc1ccc(CN2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)s1 ZINC000301467852 308701397 /nfs/dbraw/zinc/70/13/97/308701397.db2.gz YMFRBVBFBYFNER-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN COc1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000301616147 308707511 /nfs/dbraw/zinc/70/75/11/308707511.db2.gz JPOGHSLCLKVPMJ-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301625834 308708001 /nfs/dbraw/zinc/70/80/01/308708001.db2.gz ZUDAGFMGMPLLIZ-GFCCVEGCSA-N 0 0 331.347 3.433 10 5 EGBERN COc1cc(NCCc2sc(C)nc2C)c([N+](=O)[O-])cc1F ZINC000301630640 308708252 /nfs/dbraw/zinc/70/82/52/308708252.db2.gz SQKCONXSQMHNFB-UHFFFAOYSA-N 0 0 325.365 3.470 10 5 EGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301764384 308714298 /nfs/dbraw/zinc/71/42/98/308714298.db2.gz NDMSRYDFNMBZIB-AWEZNQCLSA-N 0 0 346.305 3.393 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301793097 308715561 /nfs/dbraw/zinc/71/55/61/308715561.db2.gz RRUUBQWFLOGFGA-QWRGUYRKSA-N 0 0 345.321 3.460 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000301823903 308716966 /nfs/dbraw/zinc/71/69/66/308716966.db2.gz IBMSEXVMMJYSJB-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN COc1ccc(C(C)(C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301892669 308720324 /nfs/dbraw/zinc/72/03/24/308720324.db2.gz AIYILDQTGWAASU-UHFFFAOYSA-N 0 0 341.371 3.036 10 5 EGBERN COc1ccc2c(c1)OC[C@H](Nc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000301981245 308723975 /nfs/dbraw/zinc/72/39/75/308723975.db2.gz XXXUNPZOWIVRGG-LLVKDONJSA-N 0 0 348.330 3.167 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1coc(-c2ccccc2)n1 ZINC000302019119 308725388 /nfs/dbraw/zinc/72/53/88/308725388.db2.gz DKLSKZSIAAFZGB-UHFFFAOYSA-N 0 0 325.324 3.354 10 5 EGBERN COc1cccc2[nH]cc(CCNc3nccc(C)c3[N+](=O)[O-])c21 ZINC000302032384 308726091 /nfs/dbraw/zinc/72/60/91/308726091.db2.gz IWTKIMGCJWHMTQ-UHFFFAOYSA-N 0 0 326.356 3.443 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000302352117 308736300 /nfs/dbraw/zinc/73/63/00/308736300.db2.gz BUYVUVBARALBRY-ZDUSSCGKSA-N 0 0 335.404 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccccc2OC)c1 ZINC000326637607 308770989 /nfs/dbraw/zinc/77/09/89/308770989.db2.gz UUTBBCVBOCIIOJ-UHFFFAOYSA-N 0 0 330.340 3.045 10 5 EGBERN CCOc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000330393471 308794850 /nfs/dbraw/zinc/79/48/50/308794850.db2.gz CDCJCFVZHKAYEI-NSHDSACASA-N 0 0 328.315 3.253 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330837031 308799148 /nfs/dbraw/zinc/79/91/48/308799148.db2.gz XNPCXDAEILLYLU-CQSZACIVSA-N 0 0 340.445 3.325 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1ccc(F)c(Cl)c1 ZINC000356721211 308889917 /nfs/dbraw/zinc/88/99/17/308889917.db2.gz WLOSXGHFGKMPJL-UHFFFAOYSA-N 0 0 327.724 3.032 10 5 EGBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)sc2c1CCCC2 ZINC000359294352 308892398 /nfs/dbraw/zinc/89/23/98/308892398.db2.gz VLRBPUUGKQYWAZ-UHFFFAOYSA-N 0 0 333.369 3.196 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000391777195 308901709 /nfs/dbraw/zinc/90/17/09/308901709.db2.gz VBGIEEJLBDQKEH-UHFFFAOYSA-N 0 0 342.392 3.079 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000410705312 308920353 /nfs/dbraw/zinc/92/03/53/308920353.db2.gz OZGWUSSLLUBJQL-GUYCJALGSA-N 0 0 343.383 3.017 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(F)c(C)c21 ZINC000411086773 308926160 /nfs/dbraw/zinc/92/61/60/308926160.db2.gz PPWYEUJEAOVDJF-UHFFFAOYSA-N 0 0 329.331 3.339 10 5 EGBERN CO[C@@](C)([C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000412598877 308993154 /nfs/dbraw/zinc/99/31/54/308993154.db2.gz QGIAPPHVXVLFNV-QGHHPUGFSA-N 0 0 331.372 3.010 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000412780725 309002326 /nfs/dbraw/zinc/00/23/26/309002326.db2.gz LSTPKVQTQCBPJW-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000412786946 309002718 /nfs/dbraw/zinc/00/27/18/309002718.db2.gz WPIUAVHDZBSDGT-GFCCVEGCSA-N 0 0 328.372 3.041 10 5 EGBERN Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000412938497 309008919 /nfs/dbraw/zinc/00/89/19/309008919.db2.gz FYRHUXRIMABOAC-HNNXBMFYSA-N 0 0 343.358 3.051 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(F)c1 ZINC000413185705 309020250 /nfs/dbraw/zinc/02/02/50/309020250.db2.gz NQHOGLUHBUXHQC-SECBINFHSA-N 0 0 338.289 3.098 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000413371593 309029319 /nfs/dbraw/zinc/02/93/19/309029319.db2.gz WTXZZYMBBYFICX-SUMWQHHRSA-N 0 0 347.415 3.175 10 5 EGBERN Cn1ccnc1C(=O)c1ccc(N2CC(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000413380546 309029752 /nfs/dbraw/zinc/02/97/52/309029752.db2.gz SUICXSUWNHZCBH-UHFFFAOYSA-N 0 0 342.399 3.042 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C1(C(F)(F)F)CCCC1 ZINC000415367946 309132143 /nfs/dbraw/zinc/13/21/43/309132143.db2.gz JCKWZRIZVAPOLX-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000417071949 309191946 /nfs/dbraw/zinc/19/19/46/309191946.db2.gz IBKKLKMPQRWGBT-LBPRGKRZSA-N 0 0 344.367 3.492 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSC[C@@H]2COCCO2)c1 ZINC000419561363 309269553 /nfs/dbraw/zinc/26/95/53/309269553.db2.gz SEFYCROMRHWCAI-NSHDSACASA-N 0 0 337.319 3.262 10 5 EGBERN COc1ccc2c(c1)OC(C)(C)CN(c1ccncc1[N+](=O)[O-])C2 ZINC000420628534 309290817 /nfs/dbraw/zinc/29/08/17/309290817.db2.gz AYQUYDUGDKRNAB-UHFFFAOYSA-N 0 0 329.356 3.176 10 5 EGBERN C[C@H]1C[C@H](CO)CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000421114811 309313926 /nfs/dbraw/zinc/31/39/26/309313926.db2.gz UPSRIVYRNHRJMZ-STQMWFEESA-N 0 0 349.431 3.375 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000421428149 309324191 /nfs/dbraw/zinc/32/41/91/309324191.db2.gz VAEBGTKPUAZIQE-GFCCVEGCSA-N 0 0 342.351 3.431 10 5 EGBERN CCNc1ccc(C(=O)NC[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421589735 309330946 /nfs/dbraw/zinc/33/09/46/309330946.db2.gz KWSSZCFOGZVXOC-CYBMUJFWSA-N 0 0 349.456 3.290 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421632952 309332530 /nfs/dbraw/zinc/33/25/30/309332530.db2.gz SSQJCHRZYDTYLX-UHFFFAOYSA-N 0 0 332.385 3.231 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](O)CC12CCC2 ZINC000422020488 309351308 /nfs/dbraw/zinc/35/13/08/309351308.db2.gz LKZHPSKXUXQGDT-DOTOQJQBSA-N 0 0 346.427 3.070 10 5 EGBERN COc1ccc(OCCSC[C@@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000424148650 309430948 /nfs/dbraw/zinc/43/09/48/309430948.db2.gz FSSNSJAADXQWIL-OAHLLOKOSA-N 0 0 327.402 3.140 10 5 EGBERN CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000424151806 309431129 /nfs/dbraw/zinc/43/11/29/309431129.db2.gz GFABZKQJRCCNJW-CQSZACIVSA-N 0 0 347.444 3.411 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000425032621 309463061 /nfs/dbraw/zinc/46/30/61/309463061.db2.gz CLTKXOHSXNRADT-DOMZBBRYSA-N 0 0 348.399 3.177 10 5 EGBERN Cc1cccc(C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426652751 309511702 /nfs/dbraw/zinc/51/17/02/309511702.db2.gz WXIPSHJMRGIREH-QGZVFWFLSA-N 0 0 342.395 3.245 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000426878666 309519121 /nfs/dbraw/zinc/51/91/21/309519121.db2.gz JYSXBLKEDHYFEA-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427118642 309522762 /nfs/dbraw/zinc/52/27/62/309522762.db2.gz ZSGGHJWGJPZVDS-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1C ZINC000427278899 309526395 /nfs/dbraw/zinc/52/63/95/309526395.db2.gz DIYJQNBKTOWCME-OKILXGFUSA-N 0 0 338.429 3.022 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000427332325 309526948 /nfs/dbraw/zinc/52/69/48/309526948.db2.gz SXCCEPJCBSRFNQ-BXKDBHETSA-N 0 0 346.305 3.406 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)n1 ZINC000427375548 309527936 /nfs/dbraw/zinc/52/79/36/309527936.db2.gz IBBGERYVZIWDGE-UHFFFAOYSA-N 0 0 344.371 3.292 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000431454342 309633460 /nfs/dbraw/zinc/63/34/60/309633460.db2.gz DAZUPRYBIIBXNI-MQMHXKEQSA-N 0 0 335.404 3.371 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000455083860 310343778 /nfs/dbraw/zinc/34/37/78/310343778.db2.gz MFZNSGXEVXONNS-OIISXLGYSA-N 0 0 347.415 3.451 10 5 EGBERN CCOc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000432624323 309664832 /nfs/dbraw/zinc/66/48/32/309664832.db2.gz UXAUVFZXEKHHAH-GFCCVEGCSA-N 0 0 348.399 3.407 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000436009338 309744822 /nfs/dbraw/zinc/74/48/22/309744822.db2.gz HRFKKQGXPYRMAN-ZDUSSCGKSA-N 0 0 329.400 3.233 10 5 EGBERN CC1(C)COC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455110260 310345014 /nfs/dbraw/zinc/34/50/14/310345014.db2.gz YUMBFTCOAUITHY-NSHDSACASA-N 0 0 347.293 3.160 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438143133 309807922 /nfs/dbraw/zinc/80/79/22/309807922.db2.gz UIPMDUGMBKBBRM-BWACUDIHSA-N 0 0 326.352 3.278 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c2ncccc12 ZINC000439078984 309825813 /nfs/dbraw/zinc/82/58/13/309825813.db2.gz RXKFHMXPHNVOKC-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN COCc1csc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000439121174 309826765 /nfs/dbraw/zinc/82/67/65/309826765.db2.gz XSRLSDJHVIAUDM-UHFFFAOYSA-N 0 0 341.776 3.412 10 5 EGBERN Cc1cn(Cc2ccc(Br)c3cccnc23)nc1[N+](=O)[O-] ZINC000439186008 309828161 /nfs/dbraw/zinc/82/81/61/309828161.db2.gz AWTZRVWAIDZAGI-UHFFFAOYSA-N 0 0 347.172 3.459 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439307326 309830996 /nfs/dbraw/zinc/83/09/96/309830996.db2.gz XHSUCLOCCXZEBJ-ZIAGYGMSSA-N 0 0 333.388 3.184 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439498570 309834877 /nfs/dbraw/zinc/83/48/77/309834877.db2.gz ZDUUITYPOORVHK-LSDHHAIUSA-N 0 0 347.415 3.492 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000441708183 309875939 /nfs/dbraw/zinc/87/59/39/309875939.db2.gz QXMGYDVQOICQHA-XIRDDKMYSA-N 0 0 334.416 3.237 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000442694397 309884637 /nfs/dbraw/zinc/88/46/37/309884637.db2.gz JMSHOKMDMFEFRE-CABZTGNLSA-N 0 0 337.763 3.362 10 5 EGBERN CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443794505 309908060 /nfs/dbraw/zinc/90/80/60/309908060.db2.gz XVDGVBMTWOHQIB-XJKSGUPXSA-N 0 0 340.445 3.325 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCOc1cccnc1 ZINC000443883327 309909038 /nfs/dbraw/zinc/90/90/38/309909038.db2.gz YKXBQCUAPCCYAM-CYBMUJFWSA-N 0 0 341.367 3.127 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000446343832 309960647 /nfs/dbraw/zinc/96/06/47/309960647.db2.gz QQTQMUOXUVIZCM-INIZCTEOSA-N 0 0 345.443 3.316 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000446489606 309962744 /nfs/dbraw/zinc/96/27/44/309962744.db2.gz AULVIDYKAGOHDY-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN CCO[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000447696919 309985948 /nfs/dbraw/zinc/98/59/48/309985948.db2.gz VDFZRAGGJNFYHT-INIZCTEOSA-N 0 0 326.356 3.083 10 5 EGBERN O=[N+]([O-])c1ccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000449425317 310061047 /nfs/dbraw/zinc/06/10/47/310061047.db2.gz QAHHLGFNLARTDQ-AEFFLSMTSA-N 0 0 348.349 3.034 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2NC2CCN(c3ccccn3)CC2)c1 ZINC000450256446 310111387 /nfs/dbraw/zinc/11/13/87/310111387.db2.gz HJSXNNDMAZWVDF-UHFFFAOYSA-N 0 0 349.394 3.041 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000450410127 310120864 /nfs/dbraw/zinc/12/08/64/310120864.db2.gz XCAHMULCKZPZQS-NILFDRSVSA-N 0 0 328.372 3.231 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450549085 310129430 /nfs/dbraw/zinc/12/94/30/310129430.db2.gz AFCQRIIRNASYLV-AWEZNQCLSA-N 0 0 330.384 3.372 10 5 EGBERN O=C(c1cccc2c1CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450632470 310134026 /nfs/dbraw/zinc/13/40/26/310134026.db2.gz OVOOHMHSHMYZQS-UHFFFAOYSA-N 0 0 337.379 3.067 10 5 EGBERN COc1cc(OC)c(C[C@@H](C)Nc2ncccc2[N+](=O)[O-])c(OC)c1 ZINC000450712385 310138754 /nfs/dbraw/zinc/13/87/54/310138754.db2.gz QTFCIDPSOQHVMG-LLVKDONJSA-N 0 0 347.371 3.059 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cnc(CC)o1 ZINC000450843211 310145550 /nfs/dbraw/zinc/14/55/50/310145550.db2.gz DOUFOXLBEWUNOV-UHFFFAOYSA-N 0 0 337.307 3.073 10 5 EGBERN COCCN(Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])nc1 ZINC000450923035 310149931 /nfs/dbraw/zinc/14/99/31/310149931.db2.gz PQMUHSSTBOJBMB-UHFFFAOYSA-N 0 0 339.754 3.435 10 5 EGBERN CCS(=O)(=O)Cc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000450945355 310151323 /nfs/dbraw/zinc/15/13/23/310151323.db2.gz KNIUEBHVPLEKAC-UHFFFAOYSA-N 0 0 349.412 3.285 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203483 310165753 /nfs/dbraw/zinc/16/57/53/310165753.db2.gz ZEAWBZDELAVAHF-CYBMUJFWSA-N 0 0 340.383 3.185 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451317500 310171309 /nfs/dbraw/zinc/17/13/09/310171309.db2.gz WLELTXPMUHCURF-JHJVBQTASA-N 0 0 342.399 3.492 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000451352325 310173623 /nfs/dbraw/zinc/17/36/23/310173623.db2.gz KQZKXTVATXFJFR-CSMYWGQOSA-N 0 0 340.370 3.389 10 5 EGBERN CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000451587506 310187937 /nfs/dbraw/zinc/18/79/37/310187937.db2.gz LTVSKYAVNYEERT-JTQLQIEISA-N 0 0 340.426 3.258 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000452099515 310212043 /nfs/dbraw/zinc/21/20/43/310212043.db2.gz WYIUXEADIPGEGZ-UHFFFAOYSA-N 0 0 326.418 3.183 10 5 EGBERN C[C@H](C(=O)NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000452196508 310218040 /nfs/dbraw/zinc/21/80/40/310218040.db2.gz DQBFSVNFZJSURR-LBPRGKRZSA-N 0 0 338.379 3.160 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000452577689 310233012 /nfs/dbraw/zinc/23/30/12/310233012.db2.gz XZKOMLAWDPATES-ZMSDIMECSA-N 0 0 332.400 3.059 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000452590180 310233490 /nfs/dbraw/zinc/23/34/90/310233490.db2.gz OCGHUWPPJGYTJD-JZXOWHBKSA-N 0 0 346.427 3.313 10 5 EGBERN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000452600990 310234196 /nfs/dbraw/zinc/23/41/96/310234196.db2.gz WAQLCHMWWSMIIM-DJIMGWMZSA-N 0 0 332.400 3.059 10 5 EGBERN CC[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(F)F ZINC000452662740 310236351 /nfs/dbraw/zinc/23/63/51/310236351.db2.gz ARTDBJNBVDCQGX-SSDOTTSWSA-N 0 0 326.221 3.387 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452798396 310242339 /nfs/dbraw/zinc/24/23/39/310242339.db2.gz AIHAQBFVQVTQOL-CABZTGNLSA-N 0 0 348.321 3.405 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000452864971 310246449 /nfs/dbraw/zinc/24/64/49/310246449.db2.gz FAYOXVKGJAMFQV-NHYWBVRUSA-N 0 0 340.807 3.429 10 5 EGBERN CC(C)(C(=O)Nc1ccc2c(c1)CCCC2)n1cc([N+](=O)[O-])cn1 ZINC000452867362 310246621 /nfs/dbraw/zinc/24/66/21/310246621.db2.gz PKOHDZFWBUETOM-UHFFFAOYSA-N 0 0 328.372 3.044 10 5 EGBERN CC(C)(C)/C=C\c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000453193975 310263453 /nfs/dbraw/zinc/26/34/53/310263453.db2.gz IYKIVJUVBWUGGE-SREVYHEPSA-N 0 0 340.343 3.285 10 5 EGBERN Cc1ccc(NC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454146851 310294571 /nfs/dbraw/zinc/29/45/71/310294571.db2.gz MZOUBZWEIONKAT-BBRMVZONSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000454200300 310296807 /nfs/dbraw/zinc/29/68/07/310296807.db2.gz OAPWKKUPMNNEEM-KBRIMQKVSA-N 0 0 347.415 3.451 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000454293985 310301888 /nfs/dbraw/zinc/30/18/88/310301888.db2.gz CJIMRBZHBSMMTL-QWHCGFSZSA-N 0 0 335.404 3.324 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000454324542 310303598 /nfs/dbraw/zinc/30/35/98/310303598.db2.gz OYIBNUMUGGTUQZ-XHDPSFHLSA-N 0 0 339.367 3.307 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000454763324 310328234 /nfs/dbraw/zinc/32/82/34/310328234.db2.gz OOKWMMLJZAWFRQ-LLVKDONJSA-N 0 0 332.360 3.096 10 5 EGBERN Cc1nc([C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000455151798 310347367 /nfs/dbraw/zinc/34/73/67/310347367.db2.gz AEORDNAZQXHGHM-INIZCTEOSA-N 0 0 345.359 3.042 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000455249680 310352207 /nfs/dbraw/zinc/35/22/07/310352207.db2.gz RCJGQQYSWMTBII-CQSZACIVSA-N 0 0 335.404 3.492 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000455419078 310359755 /nfs/dbraw/zinc/35/97/55/310359755.db2.gz RSTBWMVWQILQNS-UHFFFAOYSA-N 0 0 335.404 3.176 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000456155443 310391023 /nfs/dbraw/zinc/39/10/23/310391023.db2.gz YADYIHCITRAKSX-MFKMUULPSA-N 0 0 326.780 3.054 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000456340973 310399629 /nfs/dbraw/zinc/39/96/29/310399629.db2.gz AXLPDBZDNLWYIZ-CYBMUJFWSA-N 0 0 348.790 3.349 10 5 EGBERN CC(C)(C)C1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000457342029 310448740 /nfs/dbraw/zinc/44/87/40/310448740.db2.gz LGCWLAQLNVZKLP-UHFFFAOYSA-N 0 0 341.205 3.475 10 5 EGBERN CCOC[C@@H]1CCCCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000458061661 310484574 /nfs/dbraw/zinc/48/45/74/310484574.db2.gz FDWXTSBZYZHFFY-AWEZNQCLSA-N 0 0 336.388 3.025 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(C2CCC2)CCC1 ZINC000458233244 310493521 /nfs/dbraw/zinc/49/35/21/310493521.db2.gz HQZMKGZYFWLKMN-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN COCCCOC1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459584982 310562571 /nfs/dbraw/zinc/56/25/71/310562571.db2.gz CBWKAEDWCSSNCH-UHFFFAOYSA-N 0 0 346.383 3.092 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000462492971 310600718 /nfs/dbraw/zinc/60/07/18/310600718.db2.gz HOOVEGVEALSNCU-HUUCEWRRSA-N 0 0 338.429 3.150 10 5 EGBERN CC(C)C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000468771608 310693531 /nfs/dbraw/zinc/69/35/31/310693531.db2.gz AZUAUYIGXNXHGO-LLVKDONJSA-N 0 0 332.447 3.103 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)COCC(F)F)cc1[N+](=O)[O-] ZINC000469185224 310700897 /nfs/dbraw/zinc/70/08/97/310700897.db2.gz KWQWKXXDZKBOMN-LLVKDONJSA-N 0 0 344.358 3.388 10 5 EGBERN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cn(C)nc1OC ZINC000474087182 310785251 /nfs/dbraw/zinc/78/52/51/310785251.db2.gz FVVZSNAFNQPBTF-LLVKDONJSA-N 0 0 336.417 3.320 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000476874552 310835717 /nfs/dbraw/zinc/83/57/17/310835717.db2.gz YNOBBDSRKWFTPT-ZWNOBZJWSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477691013 310847712 /nfs/dbraw/zinc/84/77/12/310847712.db2.gz DOSFJCICYAQZEO-ZDUSSCGKSA-N 0 0 336.338 3.445 10 5 EGBERN O=C(CCc1ccccc1O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479356376 310873256 /nfs/dbraw/zinc/87/32/56/310873256.db2.gz XKQCBQRIQCVLMV-UHFFFAOYSA-N 0 0 348.786 3.245 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(C)cc1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481571177 310916990 /nfs/dbraw/zinc/91/69/90/310916990.db2.gz FFXGFUJMSGEQLP-RDTXWAMCSA-N 0 0 342.395 3.338 10 5 EGBERN C[C@@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402548 310977107 /nfs/dbraw/zinc/97/71/07/310977107.db2.gz GRIAPYYNRXWCDV-RISCZKNCSA-N 0 0 331.347 3.055 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1C ZINC000486686634 310996927 /nfs/dbraw/zinc/99/69/27/310996927.db2.gz HLCCJXSSSRBDOA-NSHDSACASA-N 0 0 348.371 3.068 10 5 EGBERN CCC(C)(CC)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486879750 311001034 /nfs/dbraw/zinc/00/10/34/311001034.db2.gz KZYCMJHTZGZIJU-UHFFFAOYSA-N 0 0 337.376 3.390 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1O ZINC000486979174 311005256 /nfs/dbraw/zinc/00/52/56/311005256.db2.gz IFFZOPPMXSCXSL-UHFFFAOYSA-N 0 0 342.685 3.413 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC(C)(C)C1 ZINC000487005967 311006454 /nfs/dbraw/zinc/00/64/54/311006454.db2.gz YVEGYFJCNSFWDZ-JTQLQIEISA-N 0 0 326.343 3.310 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1nc2ccccc2[nH]1 ZINC000487921184 311043116 /nfs/dbraw/zinc/04/31/16/311043116.db2.gz WEOZWXBTIUKZMV-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000488083523 311050597 /nfs/dbraw/zinc/05/05/97/311050597.db2.gz FBUXKRHOJNQPRN-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@H](CCO)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC1 ZINC000488106160 311051261 /nfs/dbraw/zinc/05/12/61/311051261.db2.gz WZARGRHQNXDAFD-CYBMUJFWSA-N 0 0 329.400 3.166 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(CCO)CCCCC1 ZINC000488123426 311052240 /nfs/dbraw/zinc/05/22/40/311052240.db2.gz IYHDCOQSLOJMHM-UHFFFAOYSA-N 0 0 329.400 3.310 10 5 EGBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488307236 311059952 /nfs/dbraw/zinc/05/99/52/311059952.db2.gz KMCUKSFENZSTTB-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2ccc(F)c(F)c2C1 ZINC000488988480 311088227 /nfs/dbraw/zinc/08/82/27/311088227.db2.gz TVXSTUOZRHKYDM-UHFFFAOYSA-N 0 0 336.269 3.211 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCCC2CCCC2)cc([N+](=O)[O-])c1 ZINC000491540926 311183988 /nfs/dbraw/zinc/18/39/88/311183988.db2.gz FGESXSPBZZBVEI-UHFFFAOYSA-N 0 0 334.372 3.082 10 5 EGBERN CC(C)(C)c1noc(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000505043868 312014574 /nfs/dbraw/zinc/01/45/74/312014574.db2.gz ILDSTKYOSLOILL-UHFFFAOYSA-N 0 0 343.343 3.111 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510076862 312131628 /nfs/dbraw/zinc/13/16/28/312131628.db2.gz MTBLVNNRNBQPDB-OAHLLOKOSA-N 0 0 326.396 3.475 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000512771254 312194804 /nfs/dbraw/zinc/19/48/04/312194804.db2.gz TYGAPCNBSSTJJS-UHFFFAOYSA-N 0 0 326.399 3.098 10 5 EGBERN COC(=O)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000514098368 312225282 /nfs/dbraw/zinc/22/52/82/312225282.db2.gz DGNHQWBIJVSVIH-LLVKDONJSA-N 0 0 346.202 3.401 10 5 EGBERN COC(=O)c1cc(NCC(C)(C)[C@H](O)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000514196818 312227269 /nfs/dbraw/zinc/22/72/69/312227269.db2.gz CXYHPMKZQLPPQQ-OAHLLOKOSA-N 0 0 338.404 3.145 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000515194830 312270443 /nfs/dbraw/zinc/27/04/43/312270443.db2.gz FQJOQYHIOUDLIY-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCCC2)c(Cl)c1 ZINC000515711523 312295104 /nfs/dbraw/zinc/29/51/04/312295104.db2.gz UNPUQOQYGOWSTG-UHFFFAOYSA-N 0 0 332.809 3.107 10 5 EGBERN CCCc1cc(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH][nH]1 ZINC000517686353 312388202 /nfs/dbraw/zinc/38/82/02/312388202.db2.gz ZQYBHPAZIDIWDR-UHFFFAOYSA-N 0 0 330.388 3.242 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519914990 312487797 /nfs/dbraw/zinc/48/77/97/312487797.db2.gz HMBXHKNAOPLRIT-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN Cc1cc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000531854519 313721786 /nfs/dbraw/zinc/72/17/86/313721786.db2.gz LUZGUIUPYJEMHY-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000532125860 313758188 /nfs/dbraw/zinc/75/81/88/313758188.db2.gz MJQJIMGSKRYUKB-ZDUSSCGKSA-N 0 0 348.399 3.179 10 5 EGBERN O=C(CCC(=O)c1cccc(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000535761807 314070647 /nfs/dbraw/zinc/07/06/47/314070647.db2.gz WTVALZCPNHZEMD-UHFFFAOYSA-N 0 0 330.315 3.013 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nnc(-c3ccccc3)o1)C2 ZINC000536007689 314087559 /nfs/dbraw/zinc/08/75/59/314087559.db2.gz LYRWHHIDWXMQGO-UHFFFAOYSA-N 0 0 336.351 3.203 10 5 EGBERN CCc1cnc(N2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000536671948 314137237 /nfs/dbraw/zinc/13/72/37/314137237.db2.gz VRDBOTJVNFRPLE-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCOc3cccc1c32 ZINC000536738413 314142721 /nfs/dbraw/zinc/14/27/21/314142721.db2.gz SNPXANKRKGXTCS-ZDUSSCGKSA-N 0 0 325.368 3.375 10 5 EGBERN C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000538683390 314263377 /nfs/dbraw/zinc/26/33/77/314263377.db2.gz SRGRSWIFDGQIQG-CYBMUJFWSA-N 0 0 325.368 3.068 10 5 EGBERN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539339511 314307261 /nfs/dbraw/zinc/30/72/61/314307261.db2.gz CYCNMSYJBYEIMZ-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN CCCn1c2ccccc2nc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000539709289 314330529 /nfs/dbraw/zinc/33/05/29/314330529.db2.gz DOBJKXOWDIJZOP-UHFFFAOYSA-N 0 0 340.383 3.397 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCO[C@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000540038668 314359447 /nfs/dbraw/zinc/35/94/47/314359447.db2.gz KGNHAWMVMVWYMJ-DOMZBBRYSA-N 0 0 336.388 3.305 10 5 EGBERN COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000540298734 314373069 /nfs/dbraw/zinc/37/30/69/314373069.db2.gz ZYNMGZMQSNKDRM-CYBMUJFWSA-N 0 0 332.331 3.178 10 5 EGBERN CC(C)(C(=O)Nc1cccc(CCCO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000543845941 314659079 /nfs/dbraw/zinc/65/90/79/314659079.db2.gz VPQJNTNTBJSMAN-UHFFFAOYSA-N 0 0 342.395 3.436 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(-n3cncn3)c2)n1 ZINC000546399106 314825276 /nfs/dbraw/zinc/82/52/76/314825276.db2.gz DXWVPMLENYGLIF-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000548465243 315013427 /nfs/dbraw/zinc/01/34/27/315013427.db2.gz HLBUYUZBFNDSDC-ZWNOBZJWSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1ccc(C)c(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000550978648 315139109 /nfs/dbraw/zinc/13/91/09/315139109.db2.gz RHAIUGNLHJLBDF-OAHLLOKOSA-N 0 0 331.368 3.339 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cn2ccccc2n1 ZINC000551315352 315150255 /nfs/dbraw/zinc/15/02/55/315150255.db2.gz UIGQZVDKBKAQBW-LBPRGKRZSA-N 0 0 326.356 3.102 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000551999771 315186247 /nfs/dbraw/zinc/18/62/47/315186247.db2.gz GHYWUMFGKNFQSG-UHFFFAOYSA-N 0 0 329.331 3.091 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000552141923 315201797 /nfs/dbraw/zinc/20/17/97/315201797.db2.gz AVDFHBIAHOGACN-QDZRJHCZSA-N 0 0 346.412 3.478 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553229497 315251962 /nfs/dbraw/zinc/25/19/62/315251962.db2.gz WWVZDJFSIBZNKV-XCBNKYQSSA-N 0 0 342.277 3.021 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(F)c(C(F)(F)F)cc2F)c1=O ZINC000553431785 315263184 /nfs/dbraw/zinc/26/31/84/315263184.db2.gz AALFQMCCPRBLDQ-UHFFFAOYSA-N 0 0 348.227 3.410 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000554121903 315299240 /nfs/dbraw/zinc/29/92/40/315299240.db2.gz KFXFJRWUWCIMBJ-LBPRGKRZSA-N 0 0 333.310 3.120 10 5 EGBERN CSc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000554493147 315322822 /nfs/dbraw/zinc/32/28/22/315322822.db2.gz DBSOQOJSFJZDHT-UHFFFAOYSA-N 0 0 344.396 3.302 10 5 EGBERN CC(C)C1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000554698527 315343642 /nfs/dbraw/zinc/34/36/42/315343642.db2.gz RLILVMSBKNTHFL-UHFFFAOYSA-N 0 0 344.415 3.354 10 5 EGBERN Cc1ncc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C2CC2)n1 ZINC000555534352 315388259 /nfs/dbraw/zinc/38/82/59/315388259.db2.gz DGHIWWUVYUFTKU-UHFFFAOYSA-N 0 0 337.339 3.304 10 5 EGBERN CC(C)(C)c1ccc(NCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000559947199 315651515 /nfs/dbraw/zinc/65/15/15/315651515.db2.gz UVYYOPUTCJBJAL-UHFFFAOYSA-N 0 0 331.372 3.214 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000563295275 315993145 /nfs/dbraw/zinc/99/31/45/315993145.db2.gz JSSXRQOFDBSUGN-GXFFZTMASA-N 0 0 336.413 3.336 10 5 EGBERN COc1cncc(/C=C\CCOc2c(C)c(C)ncc2[N+](=O)[O-])c1 ZINC000563975781 316099496 /nfs/dbraw/zinc/09/94/96/316099496.db2.gz LSKCCTKZZIXJML-XQRVVYSFSA-N 0 0 329.356 3.493 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C1CC1)C1CC1 ZINC000564200962 316122653 /nfs/dbraw/zinc/12/26/53/316122653.db2.gz UFBLZHOUNTZRIO-UHFFFAOYSA-N 0 0 327.384 3.171 10 5 EGBERN C[C@H](C(=O)N1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717219 316193218 /nfs/dbraw/zinc/19/32/18/316193218.db2.gz OPZWBOSYCWOIQJ-WFASDCNBSA-N 0 0 346.408 3.360 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cccc3c2CCC3)s1 ZINC000565715433 316360425 /nfs/dbraw/zinc/36/04/25/316360425.db2.gz ZZQHQLGFFMISPX-UHFFFAOYSA-N 0 0 339.394 3.341 10 5 EGBERN CCCc1nc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)cs1 ZINC000566229102 316439346 /nfs/dbraw/zinc/43/93/46/316439346.db2.gz HRSCDVYXRCVQIJ-UHFFFAOYSA-N 0 0 329.381 3.367 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566679654 316512941 /nfs/dbraw/zinc/51/29/41/316512941.db2.gz BYWVDATUQJGUQC-PXAZEXFGSA-N 0 0 343.383 3.107 10 5 EGBERN CC1(C)CCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566936760 316546102 /nfs/dbraw/zinc/54/61/02/316546102.db2.gz XVYMZTDYZKVOFC-MRXNPFEDSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1cc2c(cc1C)N(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC2 ZINC000567482349 316625022 /nfs/dbraw/zinc/62/50/22/316625022.db2.gz JGHGPVLOAGDIDY-UHFFFAOYSA-N 0 0 346.408 3.309 10 5 EGBERN CC[C@@H]1[C@@H](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569657942 316943021 /nfs/dbraw/zinc/94/30/21/316943021.db2.gz RCEQKJNUPSMSJC-YVEFUNNKSA-N 0 0 344.415 3.449 10 5 EGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000570105633 317008519 /nfs/dbraw/zinc/00/85/19/317008519.db2.gz YSQYJUDGXVPQPF-NSHDSACASA-N 0 0 331.294 3.040 10 5 EGBERN C[C@@H]1CC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570123670 317010908 /nfs/dbraw/zinc/01/09/08/317010908.db2.gz VREPMVQRAOBWEN-CHWSQXEVSA-N 0 0 344.415 3.354 10 5 EGBERN CCc1noc(C)c1-c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000571028629 317141015 /nfs/dbraw/zinc/14/10/15/317141015.db2.gz CEBIXXWMKHKNIK-UHFFFAOYSA-N 0 0 343.343 3.140 10 5 EGBERN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1cscn1 ZINC000571418291 317197387 /nfs/dbraw/zinc/19/73/87/317197387.db2.gz JXHJXKCBCMOKIP-QWRGUYRKSA-N 0 0 334.401 3.119 10 5 EGBERN CNc1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000573859192 317535432 /nfs/dbraw/zinc/53/54/32/317535432.db2.gz MQNVDMDIFLNVNE-UHFFFAOYSA-N 0 0 329.331 3.015 10 5 EGBERN Cc1cc(N[C@@H]2CCCC[C@@H]2O)c(Br)cc1[N+](=O)[O-] ZINC000235839417 456154536 /nfs/dbraw/zinc/15/45/36/456154536.db2.gz ABHVZRREAVMOPK-MFKMUULPSA-N 0 0 329.194 3.381 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000171559696 323240171 /nfs/dbraw/zinc/24/01/71/323240171.db2.gz KULSNVJGMLTMOI-UHFFFAOYSA-N 0 0 339.351 3.065 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179257315 323376642 /nfs/dbraw/zinc/37/66/42/323376642.db2.gz FULMAYOGPLMEKZ-UHFFFAOYSA-N 0 0 348.428 3.214 10 5 EGBERN Cc1ccc([C@H](C)NCc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000181818892 323505849 /nfs/dbraw/zinc/50/58/49/323505849.db2.gz RBPJCVPFKNRKCQ-NSHDSACASA-N 0 0 328.328 3.397 10 5 EGBERN CC(=O)c1cnc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000184019436 323639383 /nfs/dbraw/zinc/63/93/83/323639383.db2.gz LFFGAORFUCUNBZ-SSDOTTSWSA-N 0 0 337.332 3.135 10 5 EGBERN COc1cc(Cc2noc(COc3ccsc3)n2)ccc1[N+](=O)[O-] ZINC000350160831 324058888 /nfs/dbraw/zinc/05/88/88/324058888.db2.gz GZNQVYFEDJPQDN-UHFFFAOYSA-N 0 0 347.352 3.218 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000350613514 324107917 /nfs/dbraw/zinc/10/79/17/324107917.db2.gz XGVVJQBAENNUFB-GXSJLCMTSA-N 0 0 328.328 3.266 10 5 EGBERN Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(C2CC2)n1 ZINC000351084885 324166138 /nfs/dbraw/zinc/16/61/38/324166138.db2.gz BOWUSLYNEWGABA-UHFFFAOYSA-N 0 0 337.339 3.211 10 5 EGBERN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000578876846 325031634 /nfs/dbraw/zinc/03/16/34/325031634.db2.gz SWHXPGZJLORLSN-GOSISDBHSA-N 0 0 343.358 3.366 10 5 EGBERN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000579201246 325075837 /nfs/dbraw/zinc/07/58/37/325075837.db2.gz PAOXXBYGWAQRQE-UHFFFAOYSA-N 0 0 343.358 3.369 10 5 EGBERN Cc1cncn1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580320818 325234573 /nfs/dbraw/zinc/23/45/73/325234573.db2.gz ZNWJKHCNGXPRHE-UHFFFAOYSA-N 0 0 341.415 3.215 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOCC12CCCCC2 ZINC000581592092 325374431 /nfs/dbraw/zinc/37/44/31/325374431.db2.gz VOHWYPRUYNXKHQ-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610334 325376349 /nfs/dbraw/zinc/37/63/49/325376349.db2.gz JVDADPYSRSXFFX-AAEUAGOBSA-N 0 0 335.404 3.134 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000581684103 325382657 /nfs/dbraw/zinc/38/26/57/325382657.db2.gz WAHYPILWSSYDGM-UHFFFAOYSA-N 0 0 327.340 3.087 10 5 EGBERN C[C@H]1C[C@@H]1N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000582952818 325483086 /nfs/dbraw/zinc/48/30/86/325483086.db2.gz GHLFHOQDCBIIKH-FZMZJTMJSA-N 0 0 340.335 3.379 10 5 EGBERN CO[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450991 457560098 /nfs/dbraw/zinc/56/00/98/457560098.db2.gz VGZPSWAKEMGFCN-YGRLFVJLSA-N 0 0 343.221 3.214 10 5 EGBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000431174902 458539762 /nfs/dbraw/zinc/53/97/62/458539762.db2.gz IHSDLTAGSCNBOQ-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN COc1cc(CSCCOC2CCOCC2)ccc1[N+](=O)[O-] ZINC000600652492 460560903 /nfs/dbraw/zinc/56/09/03/460560903.db2.gz UEFSZHWGYSZYEK-UHFFFAOYSA-N 0 0 327.402 3.032 10 5 EGBERN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245451033 455304065 /nfs/dbraw/zinc/30/40/65/455304065.db2.gz PDFWYICYZGVEGC-BLLLJJGKSA-N 0 0 343.383 3.260 10 5 EGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000005107729 452837876 /nfs/dbraw/zinc/83/78/76/452837876.db2.gz LVJBRSJRKPRUAM-LSDHHAIUSA-N 0 0 342.395 3.500 10 5 EGBERN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005689720 452894859 /nfs/dbraw/zinc/89/48/59/452894859.db2.gz IARBXHZGDXEQPA-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN COc1ccc(C(C)=O)cc1COc1cc([N+](=O)[O-])ccc1OC ZINC000006127152 452923215 /nfs/dbraw/zinc/92/32/15/452923215.db2.gz LBPNGFAFVHJIQH-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000173910376 455340927 /nfs/dbraw/zinc/34/09/27/455340927.db2.gz WUPGTJIJOSSAHE-CYBMUJFWSA-N 0 0 336.351 3.272 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000008120535 453165792 /nfs/dbraw/zinc/16/57/92/453165792.db2.gz SQBLNKDNJDDMJJ-UHFFFAOYSA-N 0 0 331.347 3.113 10 5 EGBERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000010677860 453298678 /nfs/dbraw/zinc/29/86/78/453298678.db2.gz RHKZVZOKFALYMX-UHFFFAOYSA-N 0 0 336.351 3.053 10 5 EGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000012801878 453409160 /nfs/dbraw/zinc/40/91/60/453409160.db2.gz MAITZAIRWBHPRL-GFCCVEGCSA-N 0 0 326.352 3.490 10 5 EGBERN COc1ccc(C(=O)NCc2nccc3ccccc32)cc1[N+](=O)[O-] ZINC000014387520 453534351 /nfs/dbraw/zinc/53/43/51/453534351.db2.gz KLUQLFYCRZDEJJ-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020946011 453670719 /nfs/dbraw/zinc/67/07/19/453670719.db2.gz UDFFOIYEIXILFO-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025417453 453770539 /nfs/dbraw/zinc/77/05/39/453770539.db2.gz ZUMWBYLUIZEVNV-AWEZNQCLSA-N 0 0 327.384 3.362 10 5 EGBERN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000025834718 453787804 /nfs/dbraw/zinc/78/78/04/453787804.db2.gz TWOZLRSQJFWJLD-ZDUSSCGKSA-N 0 0 344.415 3.097 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000030231161 453834473 /nfs/dbraw/zinc/83/44/73/453834473.db2.gz BRZOUSYHURJPER-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)c2ncccc12 ZINC000030619532 453837098 /nfs/dbraw/zinc/83/70/98/453837098.db2.gz YHXWHRPRQKYUFC-LBPRGKRZSA-N 0 0 337.335 3.395 10 5 EGBERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066512884 453849575 /nfs/dbraw/zinc/84/95/75/453849575.db2.gz CIDIIRODHYLITI-AWEZNQCLSA-N 0 0 330.340 3.180 10 5 EGBERN CCCn1nccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000031770618 453854074 /nfs/dbraw/zinc/85/40/74/453854074.db2.gz LVYURFDTPFTXGX-UHFFFAOYSA-N 0 0 343.387 3.054 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075129737 453864423 /nfs/dbraw/zinc/86/44/23/453864423.db2.gz JXIRBMHJPACULU-HNNXBMFYSA-N 0 0 328.796 3.165 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 ZINC000032251643 453866207 /nfs/dbraw/zinc/86/62/07/453866207.db2.gz QNTZIAJBOZEQNQ-LBPRGKRZSA-N 0 0 340.339 3.173 10 5 EGBERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000075512364 453899719 /nfs/dbraw/zinc/89/97/19/453899719.db2.gz UAHKANBIYNJJCY-BDJLRTHQSA-N 0 0 339.351 3.442 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000081993111 453921395 /nfs/dbraw/zinc/92/13/95/453921395.db2.gz QCJUKIWJNAWSCY-GFCCVEGCSA-N 0 0 336.351 3.476 10 5 EGBERN CCNc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067502400 453936152 /nfs/dbraw/zinc/93/61/52/453936152.db2.gz AQXKWCYSTUNGBO-HOCLYGCPSA-N 0 0 325.368 3.313 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000083195991 453942832 /nfs/dbraw/zinc/94/28/32/453942832.db2.gz IGGIADWBGNRBHB-KDOFPFPSSA-N 0 0 347.415 3.258 10 5 EGBERN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000083981803 453963774 /nfs/dbraw/zinc/96/37/74/453963774.db2.gz NBCLJCJJMWYIAU-UHFFFAOYSA-N 0 0 342.376 3.227 10 5 EGBERN Cc1sc(C(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000055696928 454007180 /nfs/dbraw/zinc/00/71/80/454007180.db2.gz UIEJGOSGVBTMRA-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809236 454011047 /nfs/dbraw/zinc/01/10/47/454011047.db2.gz SOOUYYNOSCAWQI-AWEZNQCLSA-N 0 0 345.399 3.491 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085476335 454031378 /nfs/dbraw/zinc/03/13/78/454031378.db2.gz SIMZVGMHHWEGQU-UHFFFAOYSA-N 0 0 346.333 3.496 10 5 EGBERN COC(=O)c1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000087062152 454059939 /nfs/dbraw/zinc/05/99/39/454059939.db2.gz LGJCDRKBHWMZCO-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN CC1(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087293833 454074977 /nfs/dbraw/zinc/07/49/77/454074977.db2.gz VMXZWYWJVCQPSJ-UHFFFAOYSA-N 0 0 341.205 3.301 10 5 EGBERN COc1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000077336934 454093203 /nfs/dbraw/zinc/09/32/03/454093203.db2.gz CIUPOXSDIRLKGA-UHFFFAOYSA-N 0 0 326.352 3.279 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000057128406 454104391 /nfs/dbraw/zinc/10/43/91/454104391.db2.gz JLGKBYIRVFUMFX-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCc3c2cccc3F)c([N+](=O)[O-])c1 ZINC000057142258 454105542 /nfs/dbraw/zinc/10/55/42/454105542.db2.gz LTUNOJVGXCAXQI-CQSZACIVSA-N 0 0 329.331 3.193 10 5 EGBERN CCOCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000088743568 454118381 /nfs/dbraw/zinc/11/83/81/454118381.db2.gz MEHQWDAOZUFRGK-UHFFFAOYSA-N 0 0 331.372 3.326 10 5 EGBERN O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2CN1Cc1ccccc1Cl ZINC000089211133 454126540 /nfs/dbraw/zinc/12/65/40/454126540.db2.gz RHZBLWVGRXBJFJ-UHFFFAOYSA-N 0 0 347.714 3.312 10 5 EGBERN COC(=O)c1oc([C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000089267222 454132031 /nfs/dbraw/zinc/13/20/31/454132031.db2.gz AJOBZVUPCNBABT-GFCCVEGCSA-N 0 0 344.367 3.402 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000057831154 454150203 /nfs/dbraw/zinc/15/02/03/454150203.db2.gz PSGQVXLLQVJGPU-LBPRGKRZSA-N 0 0 340.445 3.403 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2ccc(F)cc2F)c1 ZINC000058177859 454168399 /nfs/dbraw/zinc/16/83/99/454168399.db2.gz FMHLXRTYWAISDA-INIZCTEOSA-N 0 0 345.305 3.470 10 5 EGBERN O=C(NCCc1c(F)cccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130187497 454180294 /nfs/dbraw/zinc/18/02/94/454180294.db2.gz GYLWGUKEMCFFSN-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000071499414 454207364 /nfs/dbraw/zinc/20/73/64/454207364.db2.gz ZEZHCRNROUIUSX-LBPRGKRZSA-N 0 0 342.351 3.421 10 5 EGBERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000078187380 454208576 /nfs/dbraw/zinc/20/85/76/454208576.db2.gz OIDKPNJBTOELIZ-DGCLKSJQSA-N 0 0 330.340 3.215 10 5 EGBERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000078187379 454209062 /nfs/dbraw/zinc/20/90/62/454209062.db2.gz OIDKPNJBTOELIZ-AAEUAGOBSA-N 0 0 330.340 3.215 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000078380930 454244435 /nfs/dbraw/zinc/24/44/35/454244435.db2.gz LXYDQLZTXIJYGH-FNORWQNLSA-N 0 0 347.396 3.466 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000131306355 454245905 /nfs/dbraw/zinc/24/59/05/454245905.db2.gz VXEOTACQFNQVEW-NSHDSACASA-N 0 0 335.385 3.331 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000071899564 454247783 /nfs/dbraw/zinc/24/77/83/454247783.db2.gz XRPTXULPJOHWHP-ZDUSSCGKSA-N 0 0 342.399 3.028 10 5 EGBERN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1c1ccccc1 ZINC000078460857 454256405 /nfs/dbraw/zinc/25/64/05/454256405.db2.gz ZVOLGHIITIBOGN-YGRLFVJLSA-N 0 0 346.774 3.249 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nnc3ccccn32)nc1-c1ccccc1 ZINC000090067142 454271608 /nfs/dbraw/zinc/27/16/08/454271608.db2.gz FQPZQDYDGMDXEE-UHFFFAOYSA-N 0 0 346.350 3.312 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000131985650 454305183 /nfs/dbraw/zinc/30/51/83/454305183.db2.gz BVUVCGCUGDHXQT-UHFFFAOYSA-N 0 0 330.340 3.047 10 5 EGBERN Cc1ccc(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000120588105 454322992 /nfs/dbraw/zinc/32/29/92/454322992.db2.gz HQAQUTXNMUKWLI-UHFFFAOYSA-N 0 0 339.395 3.214 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684960 454335619 /nfs/dbraw/zinc/33/56/19/454335619.db2.gz UFRFKNHFRGXIIY-BBRMVZONSA-N 0 0 335.404 3.114 10 5 EGBERN CCC(CC)[C@H](O)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090687867 454336518 /nfs/dbraw/zinc/33/65/18/454336518.db2.gz FYEUSOCLUAMRTM-JKSUJKDBSA-N 0 0 337.420 3.142 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 ZINC000078999067 454352538 /nfs/dbraw/zinc/35/25/38/454352538.db2.gz YGGGUHHMSMFPCM-UHFFFAOYSA-N 0 0 340.339 3.290 10 5 EGBERN CCc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000120918590 454364507 /nfs/dbraw/zinc/36/45/07/454364507.db2.gz GWMNWTQEXWATOJ-UHFFFAOYSA-N 0 0 325.368 3.454 10 5 EGBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000073148416 454401267 /nfs/dbraw/zinc/40/12/67/454401267.db2.gz NRNRUASFCTVCJM-MRXNPFEDSA-N 0 0 332.331 3.160 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000097083824 454403221 /nfs/dbraw/zinc/40/32/21/454403221.db2.gz GEAUHBPDXMAEAC-WDEREUQCSA-N 0 0 338.410 3.028 10 5 EGBERN Cc1nc(CN2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000073368555 454430286 /nfs/dbraw/zinc/43/02/86/454430286.db2.gz SYCNZYXYEFJPQV-CYBMUJFWSA-N 0 0 346.456 3.239 10 5 EGBERN COc1cc(F)cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000091789204 454470151 /nfs/dbraw/zinc/47/01/51/454470151.db2.gz SQXBOXRLCKLPBU-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000121736095 454470966 /nfs/dbraw/zinc/47/09/66/454470966.db2.gz KEGRFVLYULSLNG-HNNXBMFYSA-N 0 0 345.403 3.227 10 5 EGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000121801415 454479268 /nfs/dbraw/zinc/47/92/68/454479268.db2.gz WDQJCIHWFSSHTH-OAHLLOKOSA-N 0 0 349.774 3.069 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000048403064 454487046 /nfs/dbraw/zinc/48/70/46/454487046.db2.gz GHLHLKLSJQCSAI-UHFFFAOYSA-N 0 0 337.129 3.014 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000134129501 454505861 /nfs/dbraw/zinc/50/58/61/454505861.db2.gz ICVLAHLWTSGUMK-DYVFJYSZSA-N 0 0 330.388 3.025 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000074142745 454536654 /nfs/dbraw/zinc/53/66/54/454536654.db2.gz QSJJQOWVMSVSNS-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1c(F)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000065542766 454588553 /nfs/dbraw/zinc/58/85/53/454588553.db2.gz QDVLWVWBRGYMLG-UHFFFAOYSA-N 0 0 343.314 3.179 10 5 EGBERN Cc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)cc2)n[nH]1 ZINC000050896389 454600855 /nfs/dbraw/zinc/60/08/55/454600855.db2.gz HUDVNCMWZCEJIN-UHFFFAOYSA-N 0 0 343.368 3.311 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000065743550 454617578 /nfs/dbraw/zinc/61/75/78/454617578.db2.gz IXQLXUOABVQAEY-LBPRGKRZSA-N 0 0 336.417 3.065 10 5 EGBERN Cc1cc2cccnc2c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000092873957 454647735 /nfs/dbraw/zinc/64/77/35/454647735.db2.gz XNLLKVUHWMEOSG-UHFFFAOYSA-N 0 0 339.355 3.022 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCc2cccc(OC(F)(F)F)c2)c1=O ZINC000135315894 454662648 /nfs/dbraw/zinc/66/26/48/454662648.db2.gz JOTUOSKCKGJAAC-UHFFFAOYSA-N 0 0 342.273 3.206 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000052218639 454663013 /nfs/dbraw/zinc/66/30/13/454663013.db2.gz AFFOVJDURSPBIH-OKILXGFUSA-N 0 0 342.399 3.216 10 5 EGBERN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000123747405 454671956 /nfs/dbraw/zinc/67/19/56/454671956.db2.gz WQABPDMKIJJPSI-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN CC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000135407195 454673489 /nfs/dbraw/zinc/67/34/89/454673489.db2.gz GIOJRTAEMVOZFU-CYBMUJFWSA-N 0 0 344.396 3.343 10 5 EGBERN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000176185733 454709207 /nfs/dbraw/zinc/70/92/07/454709207.db2.gz QTEPXBJAPQBJCC-NSHDSACASA-N 0 0 340.339 3.173 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1cccc(-n3cccn3)c1)C2 ZINC000093443652 454714484 /nfs/dbraw/zinc/71/44/84/454714484.db2.gz NZHZPBQQMYOXFF-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN Cc1cc(NC(=O)CC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161717868 454717871 /nfs/dbraw/zinc/71/78/71/454717871.db2.gz YDLLJFJEZCZDHX-ZDUSSCGKSA-N 0 0 329.356 3.349 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000124326474 454718698 /nfs/dbraw/zinc/71/86/98/454718698.db2.gz UZUBJLJYUOOQSY-ZDUSSCGKSA-N 0 0 340.445 3.403 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1noc(-c3ccsc3)n1)C2 ZINC000153188730 454768750 /nfs/dbraw/zinc/76/87/50/454768750.db2.gz BABZOUWIJADYEI-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(C2CCOCC2)CC1 ZINC000162517175 454780241 /nfs/dbraw/zinc/78/02/41/454780241.db2.gz DJCNFMAUJYMMOQ-UHFFFAOYSA-N 0 0 336.363 3.013 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153332956 454783557 /nfs/dbraw/zinc/78/35/57/454783557.db2.gz DBFWNPKDJRJGBN-KRWDZBQOSA-N 0 0 344.342 3.307 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000141431243 454829202 /nfs/dbraw/zinc/82/92/02/454829202.db2.gz GHKJVMNNPYZFPL-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177212900 454838717 /nfs/dbraw/zinc/83/87/17/454838717.db2.gz PMVQJIKSJSKYGS-ZDUSSCGKSA-N 0 0 348.790 3.058 10 5 EGBERN COc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000110567985 454848084 /nfs/dbraw/zinc/84/80/84/454848084.db2.gz BLDDKJFPDWKLFH-APPDUMDISA-N 0 0 326.352 3.267 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000154122308 454867801 /nfs/dbraw/zinc/86/78/01/454867801.db2.gz MOBPBYJPMQUJLH-GOSISDBHSA-N 0 0 328.368 3.490 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000154318437 454885057 /nfs/dbraw/zinc/88/50/57/454885057.db2.gz CWBICKOKMSIFPY-UHFFFAOYSA-N 0 0 349.394 3.340 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000151061068 454931210 /nfs/dbraw/zinc/93/12/10/454931210.db2.gz JVMTZCNZQPCOEC-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CSc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113896948 454938491 /nfs/dbraw/zinc/93/84/91/454938491.db2.gz QBHXDYUQSIPUJW-ZDUSSCGKSA-N 0 0 346.412 3.407 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000127359366 454957234 /nfs/dbraw/zinc/95/72/34/454957234.db2.gz KUPXKAZFDQRQAW-HOTGVXAUSA-N 0 0 332.400 3.323 10 5 EGBERN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000155060201 454959111 /nfs/dbraw/zinc/95/91/11/454959111.db2.gz OWLHBVGVGCEIOJ-UHFFFAOYSA-N 0 0 331.347 3.248 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC2CCCC2)n1 ZINC000191548402 455495751 /nfs/dbraw/zinc/49/57/51/455495751.db2.gz BUWJFHLJASJZMR-UHFFFAOYSA-N 0 0 344.371 3.385 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3ncon3)cc2)cc1[N+](=O)[O-] ZINC000170732970 454964982 /nfs/dbraw/zinc/96/49/82/454964982.db2.gz MEJMZJDQBPIAIF-UHFFFAOYSA-N 0 0 330.325 3.267 10 5 EGBERN Cc1nc(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C ZINC000151299267 454965557 /nfs/dbraw/zinc/96/55/57/454965557.db2.gz RFHVDIQQWWUHLT-UHFFFAOYSA-N 0 0 325.415 3.011 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127566120 454977752 /nfs/dbraw/zinc/97/77/52/454977752.db2.gz QLJMUZBGROQHGD-BZNIZROVSA-N 0 0 338.791 3.015 10 5 EGBERN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000185079073 455498331 /nfs/dbraw/zinc/49/83/31/455498331.db2.gz XOGIJIKVGVZFHN-LBPRGKRZSA-N 0 0 334.401 3.039 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCC(C)C)c2)n1 ZINC000191575472 455498867 /nfs/dbraw/zinc/49/88/67/455498867.db2.gz HQGUEHKJYHKYQS-UHFFFAOYSA-N 0 0 346.387 3.488 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000191625110 455504852 /nfs/dbraw/zinc/50/48/52/455504852.db2.gz LNFMAILKTOHRTO-KBPBESRZSA-N 0 0 342.399 3.138 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171137610 455035800 /nfs/dbraw/zinc/03/58/00/455035800.db2.gz SKQAAIMVAVCTCI-UHFFFAOYSA-N 0 0 328.372 3.476 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000128593201 455070753 /nfs/dbraw/zinc/07/07/53/455070753.db2.gz IQRXOHWSNJLVNV-OAHLLOKOSA-N 0 0 346.387 3.091 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccs2)C1 ZINC000152128108 455076335 /nfs/dbraw/zinc/07/63/35/455076335.db2.gz WUVSDFZYAOEXLP-CYBMUJFWSA-N 0 0 333.369 3.262 10 5 EGBERN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000128706070 455078272 /nfs/dbraw/zinc/07/82/72/455078272.db2.gz YHBYLHNSXJKDJZ-UHFFFAOYSA-N 0 0 345.302 3.309 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000172036824 455111930 /nfs/dbraw/zinc/11/19/30/455111930.db2.gz HQFRGJUUXQXHPB-GFCCVEGCSA-N 0 0 342.351 3.498 10 5 EGBERN O=C(NCc1ccn(C2CCCC2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000156666468 455142905 /nfs/dbraw/zinc/14/29/05/455142905.db2.gz WCFVIRSMUGGDRG-UHFFFAOYSA-N 0 0 348.790 3.490 10 5 EGBERN C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000182897518 455186932 /nfs/dbraw/zinc/18/69/32/455186932.db2.gz JKJDPAHBYXSWIB-KNXALSJPSA-N 0 0 336.363 3.007 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCc2cc(Cl)ccc21 ZINC000183604149 455311463 /nfs/dbraw/zinc/31/14/63/455311463.db2.gz SWRCMNUDUSOLSJ-LBPRGKRZSA-N 0 0 332.747 3.452 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000174337176 455380173 /nfs/dbraw/zinc/38/01/73/455380173.db2.gz RFBNZSXIIAKWSU-SECBINFHSA-N 0 0 335.310 3.110 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000159931585 455416565 /nfs/dbraw/zinc/41/65/65/455416565.db2.gz BAPNUDJFEZLQNO-UHFFFAOYSA-N 0 0 342.355 3.222 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(C)c(C)s1 ZINC000184963866 455479274 /nfs/dbraw/zinc/47/92/74/455479274.db2.gz APEGQBBBAHFXHR-KHPPLWFESA-N 0 0 345.424 3.430 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1 ZINC000191834740 455523924 /nfs/dbraw/zinc/52/39/24/455523924.db2.gz SWVCGZNKRSWDNM-BDJLRTHQSA-N 0 0 346.362 3.174 10 5 EGBERN COC(=O)c1cc(NCCc2csc(C)n2)cc(C)c1[N+](=O)[O-] ZINC000268003634 455578340 /nfs/dbraw/zinc/57/83/40/455578340.db2.gz SSUWCURVBDGSLM-UHFFFAOYSA-N 0 0 335.385 3.109 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CCCC1 ZINC000185641546 455587910 /nfs/dbraw/zinc/58/79/10/455587910.db2.gz HKHSCXFWIVDTGS-NSHDSACASA-N 0 0 349.412 3.000 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277602319 455612306 /nfs/dbraw/zinc/61/23/06/455612306.db2.gz VIGAZICXPRMPHT-GFCCVEGCSA-N 0 0 345.321 3.121 10 5 EGBERN COc1cc(OC)cc([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000192481637 455628657 /nfs/dbraw/zinc/62/86/57/455628657.db2.gz TULQDTGVOWSHEU-SNVBAGLBSA-N 0 0 335.385 3.062 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccco1 ZINC000284050954 455629628 /nfs/dbraw/zinc/62/96/28/455629628.db2.gz QKDZFLWKYWFFLZ-UHFFFAOYSA-N 0 0 327.344 3.103 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000292332751 455632326 /nfs/dbraw/zinc/63/23/26/455632326.db2.gz JWDAWMYLCMIXTO-GFCCVEGCSA-N 0 0 346.305 3.085 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCCc1ccc(OC)c(OC)c1 ZINC000192532162 455637385 /nfs/dbraw/zinc/63/73/85/455637385.db2.gz RLYRFIUJRXOEFG-UHFFFAOYSA-N 0 0 348.403 3.182 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1nc2c(s1)CCCC2 ZINC000192645710 455661505 /nfs/dbraw/zinc/66/15/05/455661505.db2.gz NXMCKCBJSXFHSB-UHFFFAOYSA-N 0 0 335.433 3.091 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000192686898 455669753 /nfs/dbraw/zinc/66/97/53/455669753.db2.gz IQHIRSFCSLGZDF-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911185 455715868 /nfs/dbraw/zinc/71/58/68/455715868.db2.gz QLPVWHHRFNEIRW-BLLLJJGKSA-N 0 0 341.415 3.251 10 5 EGBERN O=[N+]([O-])c1ccn(CCN2CC[C@H](C(F)(F)F)c3ccccc32)n1 ZINC000292782098 455756670 /nfs/dbraw/zinc/75/66/70/455756670.db2.gz PYSIALWNCOTHPU-LBPRGKRZSA-N 0 0 340.305 3.348 10 5 EGBERN CSCCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893084 455757409 /nfs/dbraw/zinc/75/74/09/455757409.db2.gz UJQIIPCOCMWOSZ-UHFFFAOYSA-N 0 0 331.235 3.078 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000193950216 455788384 /nfs/dbraw/zinc/78/83/84/455788384.db2.gz OVJTTZYDEGTXSO-NSHDSACASA-N 0 0 333.344 3.065 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000272179487 455868275 /nfs/dbraw/zinc/86/82/75/455868275.db2.gz ZYYPOTPIEMHOMX-JSGCOSHPSA-N 0 0 340.807 3.117 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@@]2(CCOC2)C1 ZINC000187172838 455876344 /nfs/dbraw/zinc/87/63/44/455876344.db2.gz WXIVFMJTKKQEAH-NRFANRHFSA-N 0 0 348.402 3.020 10 5 EGBERN O=C(NCCCOc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195212699 455933580 /nfs/dbraw/zinc/93/35/80/455933580.db2.gz UCPIHCICBNVCAK-UHFFFAOYSA-N 0 0 339.351 3.275 10 5 EGBERN CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000272496370 455970101 /nfs/dbraw/zinc/97/01/01/455970101.db2.gz GCUNXXGQPBUTIX-UHFFFAOYSA-N 0 0 336.779 3.285 10 5 EGBERN CCOCCC1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC1 ZINC000286070635 455971096 /nfs/dbraw/zinc/97/10/96/455971096.db2.gz CEHIOZFSUDSFDQ-UHFFFAOYSA-N 0 0 346.387 3.252 10 5 EGBERN CCc1nnc([C@@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000270701209 456018039 /nfs/dbraw/zinc/01/80/39/456018039.db2.gz IPGQMQNPTNPRRU-SSDOTTSWSA-N 0 0 329.282 3.467 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000188207524 456021508 /nfs/dbraw/zinc/02/15/08/456021508.db2.gz LHGXJIHJBJCSDV-HNNXBMFYSA-N 0 0 347.415 3.226 10 5 EGBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000270729864 456026175 /nfs/dbraw/zinc/02/61/75/456026175.db2.gz CGCSEVAKDDRAAG-NSHDSACASA-N 0 0 342.355 3.298 10 5 EGBERN CCc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH]1 ZINC000270735362 456027037 /nfs/dbraw/zinc/02/70/37/456027037.db2.gz SINHPGNHSBMHOQ-ZETCQYMHSA-N 0 0 329.282 3.467 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(OCCc2ccccc2)CC1 ZINC000601108778 460713330 /nfs/dbraw/zinc/71/33/30/460713330.db2.gz MOVRLAZMRHYRJC-UHFFFAOYSA-N 0 0 345.374 3.357 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](c2ccccc2)C1 ZINC000601108548 460713711 /nfs/dbraw/zinc/71/37/11/460713711.db2.gz ISGLEFSLBICLRG-NSHDSACASA-N 0 0 340.305 3.341 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(OCc2ccccc2)CC1 ZINC000601101171 460709593 /nfs/dbraw/zinc/70/95/93/460709593.db2.gz OIESMOYUNGMEEI-UHFFFAOYSA-N 0 0 331.347 3.315 10 5 EGBERN O=[N+]([O-])c1c(Oc2cccc(-n3cccn3)c2)nc2sccn21 ZINC000301336111 456092439 /nfs/dbraw/zinc/09/24/39/456092439.db2.gz CFBNUDGMACAYBT-UHFFFAOYSA-N 0 0 327.325 3.282 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000301369522 456100281 /nfs/dbraw/zinc/10/02/81/456100281.db2.gz PJBFBTXOYMHQHV-CYBMUJFWSA-N 0 0 327.384 3.478 10 5 EGBERN Cc1nc(N2CCC[C@@](O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000225649497 456102044 /nfs/dbraw/zinc/10/20/44/456102044.db2.gz TUNFXMWALUOBRN-SFHVURJKSA-N 0 0 327.384 3.176 10 5 EGBERN CC(C)CCC1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301614255 456162114 /nfs/dbraw/zinc/16/21/14/456162114.db2.gz ANUHWESNFPUHEZ-UHFFFAOYSA-N 0 0 344.415 3.255 10 5 EGBERN Cc1cc(N[C@H]2CCN(c3ncccc3Cl)C2)ncc1[N+](=O)[O-] ZINC000301620578 456165321 /nfs/dbraw/zinc/16/53/21/456165321.db2.gz MNPVAUIISGCEKX-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000601119012 460717249 /nfs/dbraw/zinc/71/72/49/460717249.db2.gz KGHYCTWGRGCKIV-BONVTDFDSA-N 0 0 335.310 3.234 10 5 EGBERN Cc1ccc(OC2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000601117952 460717335 /nfs/dbraw/zinc/71/73/35/460717335.db2.gz BHEJNCKXKCGGLQ-UHFFFAOYSA-N 0 0 331.347 3.485 10 5 EGBERN CCc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301712900 456193522 /nfs/dbraw/zinc/19/35/22/456193522.db2.gz YRTQYVQAWUFBQZ-UHFFFAOYSA-N 0 0 333.369 3.162 10 5 EGBERN CO[C@H]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301794323 456215837 /nfs/dbraw/zinc/21/58/37/456215837.db2.gz SMHYKQJLLPTMKO-UWVGGRQHSA-N 0 0 330.182 3.122 10 5 EGBERN CCC(CC)c1cc(CNc2ccc3ncc([N+](=O)[O-])n3n2)on1 ZINC000301891243 456242789 /nfs/dbraw/zinc/24/27/89/456242789.db2.gz URTHKOMKKRLCBR-UHFFFAOYSA-N 0 0 330.348 3.141 10 5 EGBERN Cc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000189191355 456249725 /nfs/dbraw/zinc/24/97/25/456249725.db2.gz AQFBVBAUJJISJD-UHFFFAOYSA-N 0 0 332.400 3.467 10 5 EGBERN CN1C(=O)C[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000301932091 456253098 /nfs/dbraw/zinc/25/30/98/456253098.db2.gz PAZHGTINXVYCJZ-WFASDCNBSA-N 0 0 346.774 3.027 10 5 EGBERN CC(C)c1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301941582 456255535 /nfs/dbraw/zinc/25/55/35/456255535.db2.gz UYLRPZFQWVHUEG-LBPRGKRZSA-N 0 0 342.399 3.255 10 5 EGBERN CC[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1C ZINC000301948036 456257359 /nfs/dbraw/zinc/25/73/59/456257359.db2.gz HTBJVHGSHBSHJU-CYBMUJFWSA-N 0 0 341.371 3.215 10 5 EGBERN CC(C)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000297679285 456275144 /nfs/dbraw/zinc/27/51/44/456275144.db2.gz DNRMNGUGBBCLBT-UHFFFAOYSA-N 0 0 329.278 3.007 10 5 EGBERN C[C@@H]1CC[C@@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302064360 456279062 /nfs/dbraw/zinc/27/90/62/456279062.db2.gz VIWVAQCDEJMMEX-MLGOLLRUSA-N 0 0 338.429 3.015 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cccc(F)c3C2)c1 ZINC000302140148 456297631 /nfs/dbraw/zinc/29/76/31/456297631.db2.gz FEXQCUIFWNXKPT-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921426 456315673 /nfs/dbraw/zinc/31/56/73/456315673.db2.gz OZJHZKSBJRVTGX-CYBMUJFWSA-N 0 0 345.399 3.497 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000336936742 456317975 /nfs/dbraw/zinc/31/79/75/456317975.db2.gz VAOUBAKXJZYPIS-SFHVURJKSA-N 0 0 343.358 3.077 10 5 EGBERN CCC1(CC)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302229922 456322990 /nfs/dbraw/zinc/32/29/90/456322990.db2.gz WLNROWCBPWGVKP-OAQYLSRUSA-N 0 0 330.837 3.376 10 5 EGBERN CC[C@@H](NC(=O)N1CCCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000281869513 456345316 /nfs/dbraw/zinc/34/53/16/456345316.db2.gz MGTINCKYDQFPCM-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@H](Cc4ccccc4)C3)nn21 ZINC000302465549 456346336 /nfs/dbraw/zinc/34/63/36/456346336.db2.gz BJZVFMPBKUGXLR-CABCVRRESA-N 0 0 337.383 3.461 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC1CCOCC1 ZINC000275912763 456348745 /nfs/dbraw/zinc/34/87/45/456348745.db2.gz WNXJLMMJPAUDRV-UHFFFAOYSA-N 0 0 340.807 3.445 10 5 EGBERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302492207 456348929 /nfs/dbraw/zinc/34/89/29/456348929.db2.gz ZNADPZKNFGSTCH-NEPJUHHUSA-N 0 0 336.392 3.047 10 5 EGBERN CCC1(CC)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000347757895 456353826 /nfs/dbraw/zinc/35/38/26/456353826.db2.gz STNQPSFPMZSBNA-HKPHNFCXSA-N 0 0 336.457 3.231 10 5 EGBERN CC(C)(C)Oc1cccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347788996 456370299 /nfs/dbraw/zinc/37/02/99/456370299.db2.gz RXQCRSULMXMAFZ-UHFFFAOYSA-N 0 0 342.399 3.120 10 5 EGBERN COC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000340302137 456373560 /nfs/dbraw/zinc/37/35/60/456373560.db2.gz PHQURGBJZJWBJJ-UHFFFAOYSA-N 0 0 326.355 3.065 10 5 EGBERN COC(=O)c1cnc(NCc2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000302754673 456391873 /nfs/dbraw/zinc/39/18/73/456391873.db2.gz IGJLOWMIEOQEAU-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN Nc1c(C(=O)NCc2ccccc2[N+](=O)[O-])ccnc1-c1ccccc1 ZINC000343082195 456394615 /nfs/dbraw/zinc/39/46/15/456394615.db2.gz KMBPFCHGOKNTLR-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(C)no1 ZINC000343115959 456414747 /nfs/dbraw/zinc/41/47/47/456414747.db2.gz FYVBKTGBYACFPZ-UHFFFAOYSA-N 0 0 349.412 3.366 10 5 EGBERN COc1cc(NCc2ccnc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000343139270 456429291 /nfs/dbraw/zinc/42/92/91/456429291.db2.gz JYUQJDOUAYREJO-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN COc1cc(CNCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1O ZINC000337708561 456496148 /nfs/dbraw/zinc/49/61/48/456496148.db2.gz LSESVOVDIKRQFX-UHFFFAOYSA-N 0 0 339.351 3.147 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000276538734 456509130 /nfs/dbraw/zinc/50/91/30/456509130.db2.gz FUHSSLRRQPVWDD-CZUORRHYSA-N 0 0 340.807 3.228 10 5 EGBERN CC(C)(CCc1noc(-c2cc(C3CCCCC3)[nH]n2)n1)[N+](=O)[O-] ZINC000291101988 456528426 /nfs/dbraw/zinc/52/84/26/456528426.db2.gz RNMXDMYYMVAACR-UHFFFAOYSA-N 0 0 333.392 3.495 10 5 EGBERN O=C(NCCCC(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000337788272 456547316 /nfs/dbraw/zinc/54/73/16/456547316.db2.gz RHIWGELYXANBTG-UHFFFAOYSA-N 0 0 342.220 3.269 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000343374807 456570688 /nfs/dbraw/zinc/57/06/88/456570688.db2.gz UNVMRACVIYYTCY-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN Cc1cc(-c2nnc(CN(C)Cc3ccccc3[N+](=O)[O-])o2)c(C)o1 ZINC000340664070 456608752 /nfs/dbraw/zinc/60/87/52/456608752.db2.gz YRWOBKIIRUGIQE-UHFFFAOYSA-N 0 0 342.355 3.487 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cs1 ZINC000291356089 456616746 /nfs/dbraw/zinc/61/67/46/456616746.db2.gz XUQXPEMKGLIRED-GOSISDBHSA-N 0 0 346.452 3.474 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccncn3)no2)c1 ZINC000340712157 456643756 /nfs/dbraw/zinc/64/37/56/456643756.db2.gz LJHGWMLNRHYYTD-UHFFFAOYSA-N 0 0 337.217 3.121 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000322874457 456651411 /nfs/dbraw/zinc/65/14/11/456651411.db2.gz XAIQQRUHCSDWHK-JTQLQIEISA-N 0 0 332.278 3.160 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C(C)C)C(F)(F)F ZINC000348462608 456696207 /nfs/dbraw/zinc/69/62/07/456696207.db2.gz LUJUTOTYFJTZCL-GFCCVEGCSA-N 0 0 334.294 3.310 10 5 EGBERN Cc1cc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C)c(C)o1 ZINC000283187079 456731793 /nfs/dbraw/zinc/73/17/93/456731793.db2.gz OKXQLXJFPIDORK-UHFFFAOYSA-N 0 0 341.371 3.237 10 5 EGBERN CC[C@@H](NC(=O)N1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353534211 456740462 /nfs/dbraw/zinc/74/04/62/456740462.db2.gz GWGYGSKFBCDLGV-HZPDHXFCSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1[nH]nc(C(F)F)c1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353568112 456767651 /nfs/dbraw/zinc/76/76/51/456767651.db2.gz UGXAEKRTCXTZBE-UHFFFAOYSA-N 0 0 335.270 3.298 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000277335297 456783184 /nfs/dbraw/zinc/78/31/84/456783184.db2.gz FCPAJMRSFCKRNU-GZMMTYOYSA-N 0 0 347.293 3.160 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000348629331 456785665 /nfs/dbraw/zinc/78/56/65/456785665.db2.gz BJKKELNCTMKOKO-GHMZBOCLSA-N 0 0 345.321 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000340971950 456792249 /nfs/dbraw/zinc/79/22/49/456792249.db2.gz FYKIRKXPQJHTIU-QGZVFWFLSA-N 0 0 340.379 3.476 10 5 EGBERN C[C@H]1SCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H]1C ZINC000301252319 456835400 /nfs/dbraw/zinc/83/54/00/456835400.db2.gz AGNJMWWUMHTSGB-CHWSQXEVSA-N 0 0 349.456 3.161 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000341329817 456850982 /nfs/dbraw/zinc/85/09/82/456850982.db2.gz UMKJCDKPGLGGJC-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338815232 456861185 /nfs/dbraw/zinc/86/11/85/456861185.db2.gz OYUGUHIFVGLGMN-AWEZNQCLSA-N 0 0 335.429 3.163 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C2CC2)n1 ZINC000353719137 456870096 /nfs/dbraw/zinc/87/00/96/456870096.db2.gz AOVMDHAGAIXMRY-UHFFFAOYSA-N 0 0 336.351 3.461 10 5 EGBERN Cc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000341728934 456918292 /nfs/dbraw/zinc/91/82/92/456918292.db2.gz GAHWHYOFXWZYKZ-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)c1cccc([N+](=O)[O-])c1 ZINC000345202009 456965583 /nfs/dbraw/zinc/96/55/83/456965583.db2.gz GYMCXSKGYKSQJG-GOEBONIOSA-N 0 0 341.367 3.181 10 5 EGBERN O=C(C/C=C/c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000349667620 457011884 /nfs/dbraw/zinc/01/18/84/457011884.db2.gz NBJJJOZLSNWUIX-OWOJBTEDSA-N 0 0 341.342 3.117 10 5 EGBERN O=C(NC1CC1)c1ccccc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349747848 457037068 /nfs/dbraw/zinc/03/70/68/457037068.db2.gz JXFAJGSRYXCIGR-UHFFFAOYSA-N 0 0 347.321 3.377 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1F)C(C)C ZINC000339283986 457040656 /nfs/dbraw/zinc/04/06/56/457040656.db2.gz PIDFRWINVBNKTF-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN CCc1nc([C@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013543 457195779 /nfs/dbraw/zinc/19/57/79/457195779.db2.gz CFEWAHBBLNCALE-OAHLLOKOSA-N 0 0 330.388 3.310 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2OC(F)(F)F)cn1 ZINC000360064541 457235249 /nfs/dbraw/zinc/23/52/49/457235249.db2.gz VCTUXSCTLBOQKJ-LLVKDONJSA-N 0 0 343.261 3.034 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342327069 457238657 /nfs/dbraw/zinc/23/86/57/457238657.db2.gz UYPNBRHFJMBYGW-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CC(C)c1ccc(-c2nc(-c3ccc(=O)n(C)c3)no2)cc1[N+](=O)[O-] ZINC000347149329 457257491 /nfs/dbraw/zinc/25/74/91/457257491.db2.gz SYUOSBVQDTUENW-UHFFFAOYSA-N 0 0 340.339 3.134 10 5 EGBERN CCc1cnc(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000360110906 457259681 /nfs/dbraw/zinc/25/96/81/457259681.db2.gz GVHKAUMXCHZRPB-UHFFFAOYSA-N 0 0 335.385 3.055 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339772260 457259837 /nfs/dbraw/zinc/25/98/37/457259837.db2.gz RAEVTYZBRVBBPG-KRWDZBQOSA-N 0 0 334.416 3.385 10 5 EGBERN COCCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978399 457325446 /nfs/dbraw/zinc/32/54/46/457325446.db2.gz SABLSNGXIGONFE-UHFFFAOYSA-N 0 0 336.413 3.314 10 5 EGBERN CCO[C@@H](CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000360733789 457329320 /nfs/dbraw/zinc/32/93/20/457329320.db2.gz WDJQKRRUPSTUEC-KRWDZBQOSA-N 0 0 345.399 3.263 10 5 EGBERN CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 ZINC000352015145 457331265 /nfs/dbraw/zinc/33/12/65/457331265.db2.gz WDNLOADHZLGODU-UHFFFAOYSA-N 0 0 343.383 3.274 10 5 EGBERN Cc1cnccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347295494 457336821 /nfs/dbraw/zinc/33/68/21/457336821.db2.gz VISVHMWOSJJOAJ-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000363497228 457348268 /nfs/dbraw/zinc/34/82/68/457348268.db2.gz WLTUXXGTKZUYKY-CQSZACIVSA-N 0 0 342.399 3.163 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000360816417 457367292 /nfs/dbraw/zinc/36/72/92/457367292.db2.gz NOIFJXKJCKCOBT-SNVBAGLBSA-N 0 0 342.330 3.112 10 5 EGBERN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2[N+](=O)[O-])C1 ZINC000424985538 457395852 /nfs/dbraw/zinc/39/58/52/457395852.db2.gz MBDJQADDRNONJC-IIYDPXPESA-N 0 0 343.427 3.359 10 5 EGBERN CC(=O)N(C)c1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000347410762 457411032 /nfs/dbraw/zinc/41/10/32/457411032.db2.gz GCSPBVWIQVGCSV-UHFFFAOYSA-N 0 0 337.339 3.264 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000363685781 457414491 /nfs/dbraw/zinc/41/44/91/457414491.db2.gz BXGMHABDPCPQHK-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000355962908 457434633 /nfs/dbraw/zinc/43/46/33/457434633.db2.gz XYOWSCRLZMEMBS-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN Cc1cccc2[nH]cc(Cc3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c21 ZINC000357326733 457447588 /nfs/dbraw/zinc/44/75/88/457447588.db2.gz HMCIYJRRXYPXQK-UHFFFAOYSA-N 0 0 349.350 3.344 10 5 EGBERN CNc1c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cccc1[N+](=O)[O-] ZINC000360951495 457458864 /nfs/dbraw/zinc/45/88/64/457458864.db2.gz PEOVFCITYGBIRN-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN Cc1ccnc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000357357589 457470480 /nfs/dbraw/zinc/47/04/80/457470480.db2.gz QXIXWIKEQIOXJK-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(CC(F)F)c1 ZINC000357390115 457487819 /nfs/dbraw/zinc/48/78/19/457487819.db2.gz YVIPYROMZBDDOU-UHFFFAOYSA-N 0 0 344.705 3.271 10 5 EGBERN O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361000302 457499522 /nfs/dbraw/zinc/49/95/22/457499522.db2.gz ACPWPZBJTKMASM-CYBMUJFWSA-N 0 0 329.331 3.228 10 5 EGBERN CC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1c(C)noc1C ZINC000342755044 457501565 /nfs/dbraw/zinc/50/15/65/457501565.db2.gz QBJUIWHJVLRTOT-GFCCVEGCSA-N 0 0 348.359 3.253 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370051157 457518787 /nfs/dbraw/zinc/51/87/87/457518787.db2.gz BMLROBQYCZZVRC-AWEZNQCLSA-N 0 0 334.420 3.171 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1cc(F)c(F)c(F)c1 ZINC000361044537 457537799 /nfs/dbraw/zinc/53/77/99/457537799.db2.gz IVZCTJJNEJGPGJ-UHFFFAOYSA-N 0 0 328.294 3.192 10 5 EGBERN COc1ncccc1-c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000356264641 457553712 /nfs/dbraw/zinc/55/37/12/457553712.db2.gz UBWLURHDLIMYAB-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@@H]1C ZINC000361063614 457557903 /nfs/dbraw/zinc/55/79/03/457557903.db2.gz SYEHMZKTFLMPDC-LBPRGKRZSA-N 0 0 341.367 3.119 10 5 EGBERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408106825 457559889 /nfs/dbraw/zinc/55/98/89/457559889.db2.gz ZPPNODIXCDWXGY-HZSPNIEDSA-N 0 0 338.429 3.245 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@@H]1C ZINC000361072205 457562564 /nfs/dbraw/zinc/56/25/64/457562564.db2.gz FTMNPQUUBMWPAH-STQMWFEESA-N 0 0 325.368 3.499 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccccc2[C@H]1C ZINC000361072203 457562663 /nfs/dbraw/zinc/56/26/63/457562663.db2.gz FTMNPQUUBMWPAH-OLZOCXBDSA-N 0 0 325.368 3.499 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000408391082 457568189 /nfs/dbraw/zinc/56/81/89/457568189.db2.gz ATANQWDMEDFCJM-KRWDZBQOSA-N 0 0 332.404 3.404 10 5 EGBERN C[C@@H](c1ccccc1)N(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000425580817 457605044 /nfs/dbraw/zinc/60/50/44/457605044.db2.gz JTVBIZWVFPYSBF-ZDUSSCGKSA-N 0 0 342.399 3.474 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC2)C1 ZINC000356422590 457618482 /nfs/dbraw/zinc/61/84/82/457618482.db2.gz GLBVOTZOQZNTQM-HNNXBMFYSA-N 0 0 331.416 3.436 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000374540269 457652906 /nfs/dbraw/zinc/65/29/06/457652906.db2.gz WSFDTBYVMNPLCR-MSOLQXFVSA-N 0 0 330.359 3.199 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000370515213 457664153 /nfs/dbraw/zinc/66/41/53/457664153.db2.gz SCDBVQUHZXGQDP-CYBMUJFWSA-N 0 0 343.408 3.244 10 5 EGBERN COc1cccc(N2CCC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000370567565 457674248 /nfs/dbraw/zinc/67/42/48/457674248.db2.gz GWWNRLUTVHUQFL-LJQANCHMSA-N 0 0 342.395 3.134 10 5 EGBERN CCOC(=O)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000361274415 457675464 /nfs/dbraw/zinc/67/54/64/457675464.db2.gz XNELTXGDMKJTHJ-CQSZACIVSA-N 0 0 329.356 3.057 10 5 EGBERN CNC(=O)c1ccc(N[C@@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000361287137 457679595 /nfs/dbraw/zinc/67/95/95/457679595.db2.gz JUGIBWHTENZFFZ-NSHDSACASA-N 0 0 331.372 3.289 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000364733422 457683269 /nfs/dbraw/zinc/68/32/69/457683269.db2.gz JWDSFSMYPDLOKR-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN Cc1ccccc1C1=CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374764348 457701766 /nfs/dbraw/zinc/70/17/66/457701766.db2.gz HMVRDXROLANOPH-UHFFFAOYSA-N 0 0 341.342 3.164 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000374853217 457719642 /nfs/dbraw/zinc/71/96/42/457719642.db2.gz VTGXKTSGVMETFM-UHFFFAOYSA-N 0 0 341.342 3.004 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000370959549 457745183 /nfs/dbraw/zinc/74/51/83/457745183.db2.gz BNEIBCIWFJARHT-CQSZACIVSA-N 0 0 342.355 3.223 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)n1 ZINC000365546462 457764065 /nfs/dbraw/zinc/76/40/65/457764065.db2.gz LXFZJCGKBSVMJX-ZDUSSCGKSA-N 0 0 348.790 3.349 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)n1 ZINC000410892484 457767990 /nfs/dbraw/zinc/76/79/90/457767990.db2.gz NZPVTZRXQKPJHS-ZDUSSCGKSA-N 0 0 330.388 3.423 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000366566243 457854391 /nfs/dbraw/zinc/85/43/91/457854391.db2.gz KRZKHYWMPKCCNH-UHFFFAOYSA-N 0 0 332.400 3.145 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411372576 457867473 /nfs/dbraw/zinc/86/74/73/457867473.db2.gz VNYJUPCFBNTKCN-YJBOKZPZSA-N 0 0 328.343 3.438 10 5 EGBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000371335441 457872582 /nfs/dbraw/zinc/87/25/82/457872582.db2.gz KZRQNSNVEHUSKK-AWEZNQCLSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cc(C)cc(OCCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411474899 457897875 /nfs/dbraw/zinc/89/78/75/457897875.db2.gz CXUFJGWPWSJBRU-UHFFFAOYSA-N 0 0 341.411 3.434 10 5 EGBERN CC[C@H](c1ccccc1)N(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427194510 457956993 /nfs/dbraw/zinc/95/69/93/457956993.db2.gz ZUDSCDRDBHQFJU-CQSZACIVSA-N 0 0 330.388 3.425 10 5 EGBERN O=C(NCCc1ccco1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444826707 457985549 /nfs/dbraw/zinc/98/55/49/457985549.db2.gz MROZWCQJXHCRMX-UHFFFAOYSA-N 0 0 332.359 3.247 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000444906390 457994530 /nfs/dbraw/zinc/99/45/30/457994530.db2.gz UKRBJMJGPIYBHJ-MRXNPFEDSA-N 0 0 342.355 3.271 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000445249580 458032160 /nfs/dbraw/zinc/03/21/60/458032160.db2.gz CUQWFQGKYRWVNN-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN COC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458498655 458071569 /nfs/dbraw/zinc/07/15/69/458071569.db2.gz JKOZFVVWJCXNPJ-CABCVRRESA-N 0 0 349.431 3.422 10 5 EGBERN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000435140552 458098088 /nfs/dbraw/zinc/09/80/88/458098088.db2.gz IWWOVNAZRZABCL-RDJZCZTQSA-N 0 0 343.383 3.351 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000428668173 458188553 /nfs/dbraw/zinc/18/85/53/458188553.db2.gz YNFVNZTXPDUWLC-MAUKXSAKSA-N 0 0 345.374 3.324 10 5 EGBERN Cc1nc2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc2[nH]1 ZINC000362478940 458206252 /nfs/dbraw/zinc/20/62/52/458206252.db2.gz FKSWVZLYIRBAAH-UHFFFAOYSA-N 0 0 346.293 3.239 10 5 EGBERN Cc1ccc([C@@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000376140646 458210079 /nfs/dbraw/zinc/21/00/79/458210079.db2.gz NDDORVTYCNTQAJ-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1cccc([C@@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000376141459 458210297 /nfs/dbraw/zinc/21/02/97/458210297.db2.gz MTWSROLTQQWYSO-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000446975101 458253132 /nfs/dbraw/zinc/25/31/32/458253132.db2.gz OUVZXMCHEGAIOR-ZDUSSCGKSA-N 0 0 327.384 3.189 10 5 EGBERN CC(C)[C@@H](O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412986108 458289040 /nfs/dbraw/zinc/28/90/40/458289040.db2.gz HAOANZDOURXNTG-INIZCTEOSA-N 0 0 328.437 3.196 10 5 EGBERN CCc1nnc(CNc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000429796630 458371928 /nfs/dbraw/zinc/37/19/28/458371928.db2.gz PWDXMMQKUPRMPM-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN C[C@H]1N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCOC1(C)C ZINC000448183342 458398517 /nfs/dbraw/zinc/39/85/17/458398517.db2.gz ZZETZXNDRYVTPA-SECBINFHSA-N 0 0 346.305 3.253 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3COc4ccccc4C3)n2)s1 ZINC000373185766 458422409 /nfs/dbraw/zinc/42/24/09/458422409.db2.gz ALBYZJJSZPAAQD-JTQLQIEISA-N 0 0 329.337 3.425 10 5 EGBERN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2OC)cc(OC)c1 ZINC000430225146 458424216 /nfs/dbraw/zinc/42/42/16/458424216.db2.gz IXODSOUDMMDBBD-UHFFFAOYSA-N 0 0 346.383 3.253 10 5 EGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437281402 458440932 /nfs/dbraw/zinc/44/09/32/458440932.db2.gz TZUZFLPJMDNWAR-DOTOQJQBSA-N 0 0 348.362 3.011 10 5 EGBERN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cc1C ZINC000373311869 458459140 /nfs/dbraw/zinc/45/91/40/458459140.db2.gz VHWYUAUKZQWPJK-MRXNPFEDSA-N 0 0 340.383 3.398 10 5 EGBERN Cc1cc(OCC(=O)Nc2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC000430787917 458492022 /nfs/dbraw/zinc/49/20/22/458492022.db2.gz XOZDDAOSPKRCPS-UHFFFAOYSA-N 0 0 342.351 3.246 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1c1ccco1 ZINC000377685777 458509597 /nfs/dbraw/zinc/50/95/97/458509597.db2.gz CJWOPULSVLGEEJ-ZDUSSCGKSA-N 0 0 336.731 3.055 10 5 EGBERN Nc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000378041705 458608490 /nfs/dbraw/zinc/60/84/90/458608490.db2.gz FMVDCHYKCRWIIG-UHFFFAOYSA-N 0 0 345.786 3.145 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000462308847 458610165 /nfs/dbraw/zinc/61/01/65/458610165.db2.gz AQRDYFXBLPOMCF-ONGXEEELSA-N 0 0 346.836 3.366 10 5 EGBERN COc1ccc(OC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC000373825477 458614825 /nfs/dbraw/zinc/61/48/25/458614825.db2.gz RGKIGBIPKKFCHE-OAHLLOKOSA-N 0 0 349.726 3.166 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000462436663 458619877 /nfs/dbraw/zinc/61/98/77/458619877.db2.gz OEUVBFYMZOBXCG-CQSZACIVSA-N 0 0 342.399 3.263 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438934906 458631951 /nfs/dbraw/zinc/63/19/51/458631951.db2.gz IPTNYUQSBKVJFJ-HBNTYKKESA-N 0 0 326.780 3.195 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@H](C)OC)C(C)C ZINC000462625790 458636507 /nfs/dbraw/zinc/63/65/07/458636507.db2.gz XYYHCDCNEHAIBW-HOCLYGCPSA-N 0 0 336.432 3.435 10 5 EGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456380722 458654721 /nfs/dbraw/zinc/65/47/21/458654721.db2.gz NMGXSJZUCJNUOU-ZDUSSCGKSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(C)(C)COCC(F)F ZINC000471000934 458674886 /nfs/dbraw/zinc/67/48/86/458674886.db2.gz KTSHNTLXEJTADI-UHFFFAOYSA-N 0 0 330.331 3.458 10 5 EGBERN CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439257097 458677862 /nfs/dbraw/zinc/67/78/62/458677862.db2.gz CTRIFPSHVXKJJR-CVEARBPZSA-N 0 0 332.400 3.046 10 5 EGBERN CCc1ccc(C(=O)N[C@H](COC)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000471404044 458692519 /nfs/dbraw/zinc/69/25/19/458692519.db2.gz ATHWWDUPLYDDHN-MRXNPFEDSA-N 0 0 346.358 3.414 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000456539184 458707309 /nfs/dbraw/zinc/70/73/09/458707309.db2.gz OEZZUTLSURLCQC-BXUZGUMPSA-N 0 0 347.396 3.010 10 5 EGBERN CNc1ccc(-c2nc(CC3CCC(OC)CC3)no2)cc1[N+](=O)[O-] ZINC000547245288 458710217 /nfs/dbraw/zinc/71/02/17/458710217.db2.gz HGBQOLOXXVNKCS-UHFFFAOYSA-N 0 0 346.387 3.434 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000432317048 458713235 /nfs/dbraw/zinc/71/32/35/458713235.db2.gz DMDCJWYJHDNRAV-CYBMUJFWSA-N 0 0 338.429 3.165 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(c2ccccc2F)C1 ZINC000464252478 458739752 /nfs/dbraw/zinc/73/97/52/458739752.db2.gz USEGNGUEUUEMNN-UHFFFAOYSA-N 0 0 343.358 3.085 10 5 EGBERN CCOc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000432624324 458763919 /nfs/dbraw/zinc/76/39/19/458763919.db2.gz UXAUVFZXEKHHAH-LBPRGKRZSA-N 0 0 348.399 3.407 10 5 EGBERN C[C@H]1C[C@H](C)N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000530426665 458766502 /nfs/dbraw/zinc/76/65/02/458766502.db2.gz PSTNPBLWKAPGQI-BQBZGAKWSA-N 0 0 339.200 3.073 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCCC[C@@H]2C)c1 ZINC000547947976 458812800 /nfs/dbraw/zinc/81/28/00/458812800.db2.gz MYPDIPLMWINTIF-LBPRGKRZSA-N 0 0 326.418 3.165 10 5 EGBERN NC(=O)c1ccc(NCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000432926956 458815747 /nfs/dbraw/zinc/81/57/47/458815747.db2.gz FHOASJHVBCNTBB-UHFFFAOYSA-N 0 0 341.701 3.237 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000456921517 458817736 /nfs/dbraw/zinc/81/77/36/458817736.db2.gz DFPVPCNVOZCRSB-DGCLKSJQSA-N 0 0 326.780 3.244 10 5 EGBERN COc1c(C(=O)N2CCc3cc(F)c(F)cc32)cccc1[N+](=O)[O-] ZINC000474903905 458906559 /nfs/dbraw/zinc/90/65/59/458906559.db2.gz ZVZPAJJVZINLGI-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COc1cc(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000531437429 458918222 /nfs/dbraw/zinc/91/82/22/458918222.db2.gz QLIWXZSCZYASHY-UHFFFAOYSA-N 0 0 345.742 3.496 10 5 EGBERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000531616180 458944998 /nfs/dbraw/zinc/94/49/98/458944998.db2.gz LYWKDUFXQTUDIK-CYBMUJFWSA-N 0 0 348.399 3.179 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000531628192 458948744 /nfs/dbraw/zinc/94/87/44/458948744.db2.gz GMFPDQHJFOORTQ-ZDUSSCGKSA-N 0 0 343.383 3.092 10 5 EGBERN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000566510602 458951987 /nfs/dbraw/zinc/95/19/87/458951987.db2.gz WDZZVJUXRHFMMD-RDJZCZTQSA-N 0 0 332.400 3.450 10 5 EGBERN Cc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946523 458952380 /nfs/dbraw/zinc/95/23/80/458952380.db2.gz PSXSVDOMVAXQIH-SCRDCRAPSA-N 0 0 349.431 3.380 10 5 EGBERN C[C@H]1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577095929 458979257 /nfs/dbraw/zinc/97/92/57/458979257.db2.gz JUEQXBCMTCTZGQ-WDEREUQCSA-N 0 0 326.343 3.358 10 5 EGBERN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531882564 458993867 /nfs/dbraw/zinc/99/38/67/458993867.db2.gz DIQJQJWVGXKWPZ-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887415 458994921 /nfs/dbraw/zinc/99/49/21/458994921.db2.gz FYNKNEZMPJKPIC-CYBMUJFWSA-N 0 0 343.383 3.406 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(n1)CCCC2 ZINC000442373734 459005274 /nfs/dbraw/zinc/00/52/74/459005274.db2.gz FNHFDSGEIYPPMH-UHFFFAOYSA-N 0 0 325.368 3.141 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442687604 459023364 /nfs/dbraw/zinc/02/33/64/459023364.db2.gz NEJSBHQHKOSKAS-CABZTGNLSA-N 0 0 339.298 3.258 10 5 EGBERN Cc1ccnc(N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000577488328 459040809 /nfs/dbraw/zinc/04/08/09/459040809.db2.gz SMKRGOYTHFQYSG-WCQYABFASA-N 0 0 335.404 3.102 10 5 EGBERN C[C@@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000577690802 459074462 /nfs/dbraw/zinc/07/44/62/459074462.db2.gz WEDSWFIINRUFML-SECBINFHSA-N 0 0 345.380 3.313 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000594569777 459095281 /nfs/dbraw/zinc/09/52/81/459095281.db2.gz STHJALFTIIICTL-LJQANCHMSA-N 0 0 340.379 3.282 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)CC(F)F ZINC000594586096 459099292 /nfs/dbraw/zinc/09/92/92/459099292.db2.gz MWFAKJLEKNMFHL-SNVBAGLBSA-N 0 0 347.337 3.274 10 5 EGBERN CCOc1cc(NCc2cnc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000594586753 459099452 /nfs/dbraw/zinc/09/94/52/459099452.db2.gz CUOSKMGLUXUZPK-UHFFFAOYSA-N 0 0 342.277 3.414 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000567419040 459103018 /nfs/dbraw/zinc/10/30/18/459103018.db2.gz MMMLCJCJTCFIPS-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN O=c1[nH]cnc2cc(NC[C@@H]3CCC4(CCCC4)O3)c([N+](=O)[O-])cc21 ZINC000594598186 459104220 /nfs/dbraw/zinc/10/42/20/459104220.db2.gz FCCHLJLGHARZHM-NSHDSACASA-N 0 0 344.371 3.147 10 5 EGBERN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713167 459137782 /nfs/dbraw/zinc/13/77/82/459137782.db2.gz UGSRLGASWLDMJS-QWRGUYRKSA-N 0 0 334.401 3.038 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC000590565733 459150184 /nfs/dbraw/zinc/15/01/84/459150184.db2.gz PWHMSJOPIXFPJZ-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN O=[N+]([O-])c1ncccc1Oc1ccnc(Cc2ccc(F)cc2)n1 ZINC000590569049 459151159 /nfs/dbraw/zinc/15/11/59/459151159.db2.gz CIGCRQBHLAMVOV-UHFFFAOYSA-N 0 0 326.287 3.302 10 5 EGBERN CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753355 459152369 /nfs/dbraw/zinc/15/23/69/459152369.db2.gz JIMOZKUZUXPKDV-HNNXBMFYSA-N 0 0 349.412 3.008 10 5 EGBERN CCC(CC)c1cc(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])on1 ZINC000590577958 459152619 /nfs/dbraw/zinc/15/26/19/459152619.db2.gz LIDKYCCNIDYWEN-UHFFFAOYSA-N 0 0 348.359 3.280 10 5 EGBERN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000594861778 459162789 /nfs/dbraw/zinc/16/27/89/459162789.db2.gz JMQLBQHVRNEILK-MRXNPFEDSA-N 0 0 349.412 3.000 10 5 EGBERN C[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558641443 459186665 /nfs/dbraw/zinc/18/66/65/459186665.db2.gz ZSCUJFXMHBXQKB-QWHCGFSZSA-N 0 0 344.415 3.449 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCCOCC2CCC2)cc1[N+](=O)[O-] ZINC000558645979 459188382 /nfs/dbraw/zinc/18/83/82/459188382.db2.gz INUBRQGPTMGSGB-ZDUSSCGKSA-N 0 0 335.404 3.080 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000558691350 459198141 /nfs/dbraw/zinc/19/81/41/459198141.db2.gz LOKYQMGQMSKYAF-GFCCVEGCSA-N 0 0 345.321 3.128 10 5 EGBERN O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000590768079 459209953 /nfs/dbraw/zinc/20/99/53/459209953.db2.gz KJBIWYGDVNMFRZ-ZBFHGGJFSA-N 0 0 325.368 3.304 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1C ZINC000590775209 459212992 /nfs/dbraw/zinc/21/29/92/459212992.db2.gz ODJYDHBTQLEZGD-HNNXBMFYSA-N 0 0 327.384 3.262 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CSC1(C)C ZINC000558992428 459229469 /nfs/dbraw/zinc/22/94/69/459229469.db2.gz PXCROZNSKFFGEN-AWEZNQCLSA-N 0 0 337.445 3.409 10 5 EGBERN C[C@@H](C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000559391299 459256307 /nfs/dbraw/zinc/25/63/07/459256307.db2.gz HSVVIUXDBZOIDK-LPMFXHHGSA-N 0 0 348.443 3.392 10 5 EGBERN C[C@H](C(=O)NC1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590883813 459258244 /nfs/dbraw/zinc/25/82/44/459258244.db2.gz BWDANZQQUQYGMD-JKDOVBDQSA-N 0 0 342.342 3.365 10 5 EGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)nc1 ZINC000591065900 459303221 /nfs/dbraw/zinc/30/32/21/459303221.db2.gz PNOPQMOLSXMCHJ-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N(C)CC(=O)Nc1cccc(C)c1C ZINC000582073104 459304212 /nfs/dbraw/zinc/30/42/12/459304212.db2.gz SWVGSDOQWTYNDH-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000595455192 459308809 /nfs/dbraw/zinc/30/88/09/459308809.db2.gz SUSZMRLEHKVPIL-CZIWCDLHSA-N 0 0 341.367 3.004 10 5 EGBERN C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582244311 459332740 /nfs/dbraw/zinc/33/27/40/459332740.db2.gz UTONKBRLAWGYKZ-KBPBESRZSA-N 0 0 349.431 3.463 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595520246 459333488 /nfs/dbraw/zinc/33/34/88/459333488.db2.gz OLTNTOJBRBUBDC-HNNXBMFYSA-N 0 0 349.431 3.032 10 5 EGBERN COC(=O)c1cccc2c1CN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595559906 459347041 /nfs/dbraw/zinc/34/70/41/459347041.db2.gz WOXHFSJZAOMFAF-UHFFFAOYSA-N 0 0 344.342 3.079 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595573109 459352405 /nfs/dbraw/zinc/35/24/05/459352405.db2.gz MCEQQTWAGHRRED-SCLBCKFNSA-N 0 0 339.395 3.165 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591539909 459398472 /nfs/dbraw/zinc/39/84/72/459398472.db2.gz XPGSOAARYQEIPX-AWEZNQCLSA-N 0 0 332.400 3.238 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C\[C@@H]4CCCO4)n3)c2c1 ZINC000591665891 459419803 /nfs/dbraw/zinc/41/98/03/459419803.db2.gz UGHMNZUILCKTCV-AGLBCWCQSA-N 0 0 340.339 3.242 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000561268486 459437860 /nfs/dbraw/zinc/43/78/60/459437860.db2.gz NBOGSIFPTPHPPH-SUHUHFCYSA-N 0 0 333.388 3.100 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)C(C)(C)C ZINC000595857578 459466007 /nfs/dbraw/zinc/46/60/07/459466007.db2.gz OLZQWQURNIOJEN-UHFFFAOYSA-N 0 0 343.374 3.460 10 5 EGBERN COc1cc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595890476 459476446 /nfs/dbraw/zinc/47/64/46/459476446.db2.gz MOWJPNDLATXTPV-ZYHUDNBSSA-N 0 0 348.321 3.145 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000591963116 459499041 /nfs/dbraw/zinc/49/90/41/459499041.db2.gz OIJLSESXHVBOBY-SGMGOOAPSA-N 0 0 337.807 3.279 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000591971619 459501028 /nfs/dbraw/zinc/50/10/28/459501028.db2.gz JXEMZDUXGMNFHY-STQMWFEESA-N 0 0 337.383 3.426 10 5 EGBERN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592050939 459517269 /nfs/dbraw/zinc/51/72/69/459517269.db2.gz YMJOZIAHYIOLDO-JTQLQIEISA-N 0 0 329.347 3.420 10 5 EGBERN COC(=O)c1c(Cl)c(NCC2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC000596102507 459521080 /nfs/dbraw/zinc/52/10/80/459521080.db2.gz CDTHJSVLMPLUOZ-UHFFFAOYSA-N 0 0 342.779 3.142 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC2(F)CC2)CC1 ZINC000525977473 459524643 /nfs/dbraw/zinc/52/46/43/459524643.db2.gz GBMHPVYDBOZJOF-UHFFFAOYSA-N 0 0 347.312 3.238 10 5 EGBERN COC(=O)C1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596124195 459528912 /nfs/dbraw/zinc/52/89/12/459528912.db2.gz SDFQGBPZJFTURW-UHFFFAOYSA-N 0 0 342.779 3.401 10 5 EGBERN Cc1cncn1C1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000526017471 459533555 /nfs/dbraw/zinc/53/35/55/459533555.db2.gz QSPODKDGNGPUHQ-CQSZACIVSA-N 0 0 342.399 3.067 10 5 EGBERN NC(=O)c1ccc(CNC2(c3ccccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000592144862 459535778 /nfs/dbraw/zinc/53/57/78/459535778.db2.gz PKKSXOCXYURXJR-UHFFFAOYSA-N 0 0 343.358 3.002 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@]2(C)CCCO2)ccc1[N+](=O)[O-] ZINC000596161192 459543503 /nfs/dbraw/zinc/54/35/03/459543503.db2.gz BMHNCWKRWWTEDW-AWEZNQCLSA-N 0 0 328.752 3.016 10 5 EGBERN COc1cc(N(C)CCCn2ccnc2C)c(Cl)cc1[N+](=O)[O-] ZINC000596168614 459545670 /nfs/dbraw/zinc/54/56/70/459545670.db2.gz AXJVLEDWMRBZMY-UHFFFAOYSA-N 0 0 338.795 3.288 10 5 EGBERN CCC(CC)(CO)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596171526 459546686 /nfs/dbraw/zinc/54/66/86/459546686.db2.gz DUOMQTPEMJVWGH-UHFFFAOYSA-N 0 0 344.795 3.245 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000596187601 459553812 /nfs/dbraw/zinc/55/38/12/459553812.db2.gz QRNGEYRQYDOMBQ-RKDXNWHRSA-N 0 0 330.743 3.219 10 5 EGBERN COc1ccc(NC(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592246987 459560135 /nfs/dbraw/zinc/56/01/35/459560135.db2.gz NNJHQJJCDVRJEB-UHFFFAOYSA-N 0 0 329.303 3.112 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@]2(CNc3ccccc32)C1 ZINC000596209636 459561386 /nfs/dbraw/zinc/56/13/86/459561386.db2.gz VBUBGUWPCSOXCT-MRXNPFEDSA-N 0 0 330.775 3.217 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1n[nH]c(C(C)C)c1C ZINC000592259696 459562344 /nfs/dbraw/zinc/56/23/44/459562344.db2.gz JVYTWSFLBNXBDQ-UHFFFAOYSA-N 0 0 331.376 3.378 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596215998 459562370 /nfs/dbraw/zinc/56/23/70/459562370.db2.gz INIZXEYTZJDBBB-PGUXBMHVSA-N 0 0 326.418 3.128 10 5 EGBERN COC(=O)c1c(Cl)c(NCCCOC(F)F)ccc1[N+](=O)[O-] ZINC000596220896 459564768 /nfs/dbraw/zinc/56/47/68/459564768.db2.gz DXWDRLUPZZIHET-UHFFFAOYSA-N 0 0 338.694 3.076 10 5 EGBERN COc1cc(N2CC(C3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596227649 459567127 /nfs/dbraw/zinc/56/71/27/459567127.db2.gz ROQHAIOWOSOROS-UHFFFAOYSA-N 0 0 326.780 3.120 10 5 EGBERN CC[C@@](C)(CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)OC ZINC000596255675 459575765 /nfs/dbraw/zinc/57/57/65/459575765.db2.gz XGUMMKVGXLQVOL-AWEZNQCLSA-N 0 0 330.768 3.262 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@]2(CCOC2)C1 ZINC000596261085 459578171 /nfs/dbraw/zinc/57/81/71/459578171.db2.gz NBCWDRNCTHSYAR-AWEZNQCLSA-N 0 0 341.205 3.364 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000596270328 459580304 /nfs/dbraw/zinc/58/03/04/459580304.db2.gz DIRUIUFPRXAEFD-VIFPVBQESA-N 0 0 342.779 3.404 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596278258 459581623 /nfs/dbraw/zinc/58/16/23/459581623.db2.gz NWILHFIDFCFDBC-UWVGGRQHSA-N 0 0 342.779 3.404 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCC[C@H](CO)C1 ZINC000596278049 459581744 /nfs/dbraw/zinc/58/17/44/459581744.db2.gz LOGVHGUHXXFXIG-VHSXEESVSA-N 0 0 329.194 3.320 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000596291581 459586594 /nfs/dbraw/zinc/58/65/94/459586594.db2.gz KGRAEWOENKCKOR-CYBMUJFWSA-N 0 0 346.717 3.270 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)CO1 ZINC000596290576 459587068 /nfs/dbraw/zinc/58/70/68/459587068.db2.gz RUTZSXFCNVBPPW-NXEZZACHSA-N 0 0 342.779 3.039 10 5 EGBERN O=C(CCc1cccs1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572879050 459589518 /nfs/dbraw/zinc/58/95/18/459589518.db2.gz NUHIBIHXTBROTD-UHFFFAOYSA-N 0 0 343.408 3.429 10 5 EGBERN CO[C@H](CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596319033 459594753 /nfs/dbraw/zinc/59/47/53/459594753.db2.gz SAWBHRUWQDVDTK-IINYFYTJSA-N 0 0 348.321 3.385 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596361483 459608022 /nfs/dbraw/zinc/60/80/22/459608022.db2.gz SVRIVGBUSLBRSC-DFHBCGBQSA-N 0 0 345.399 3.121 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000596444069 459639224 /nfs/dbraw/zinc/63/92/24/459639224.db2.gz PEVAWXZHESNJJT-SNVBAGLBSA-N 0 0 339.277 3.140 10 5 EGBERN C[C@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000596472999 459649170 /nfs/dbraw/zinc/64/91/70/459649170.db2.gz DQJIPINTKFUOLW-WCBMZHEXSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC000596477960 459650021 /nfs/dbraw/zinc/65/00/21/459650021.db2.gz FQCDWYGDLKJSQR-ACJLOTCBSA-N 0 0 343.358 3.269 10 5 EGBERN COC(=O)Cc1ccc(NCC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596477254 459650696 /nfs/dbraw/zinc/65/06/96/459650696.db2.gz IGWAEXWYLBLAGK-AWEZNQCLSA-N 0 0 328.315 3.158 10 5 EGBERN CC(C)[C@@H](O)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596482269 459652428 /nfs/dbraw/zinc/65/24/28/459652428.db2.gz IJCGRXVBZCJCFE-DLBZAZTESA-N 0 0 343.383 3.475 10 5 EGBERN CC(=O)c1cc(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596488008 459654309 /nfs/dbraw/zinc/65/43/09/459654309.db2.gz LBCFVDPDKYCNPE-RHSMWYFYSA-N 0 0 342.399 3.354 10 5 EGBERN COC(=O)c1cnc(NC2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000596500798 459658004 /nfs/dbraw/zinc/65/80/04/459658004.db2.gz HSWKAJZRJJVHQR-UHFFFAOYSA-N 0 0 341.314 3.156 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596503452 459659235 /nfs/dbraw/zinc/65/92/35/459659235.db2.gz KLTGDFWBSWSVQK-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([C@H]4CCCCO4)C3)nc2c1 ZINC000596502021 459659341 /nfs/dbraw/zinc/65/93/41/459659341.db2.gz GAIZVPHSCMBGSK-BLLLJJGKSA-N 0 0 330.388 3.257 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](C1CCC1)C1CCCC1 ZINC000592680150 459664072 /nfs/dbraw/zinc/66/40/72/459664072.db2.gz DIBWMOSBYTTXRB-SFHVURJKSA-N 0 0 332.400 3.449 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000592680220 459664285 /nfs/dbraw/zinc/66/42/85/459664285.db2.gz DVWUKSOIJPOMFM-UHFFFAOYSA-N 0 0 331.397 3.412 10 5 EGBERN Cc1cc(N2CC[C@H]3COC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000596529997 459668403 /nfs/dbraw/zinc/66/84/03/459668403.db2.gz SOMVEWWPRVHYMU-QWRGUYRKSA-N 0 0 341.205 3.138 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCC1(O)CCC(F)(F)CC1 ZINC000596534205 459669022 /nfs/dbraw/zinc/66/90/22/459669022.db2.gz KIYFRVJMUOAZFB-UHFFFAOYSA-N 0 0 330.331 3.094 10 5 EGBERN NC(=O)CC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCCCC1 ZINC000596543562 459670998 /nfs/dbraw/zinc/67/09/98/459670998.db2.gz LNHFJQSVUXFTAR-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN CC(C)[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000596541593 459671342 /nfs/dbraw/zinc/67/13/42/459671342.db2.gz NNZZADWNEUBDAW-CZUORRHYSA-N 0 0 349.431 3.142 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)s1 ZINC000596545572 459672125 /nfs/dbraw/zinc/67/21/25/459672125.db2.gz SSZLOXKWYPCHON-ZLKJLUDKSA-N 0 0 342.355 3.489 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000592722893 459677242 /nfs/dbraw/zinc/67/72/42/459677242.db2.gz SXYSAKURDCORDE-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC[C@H]1C1CCC1 ZINC000592734266 459678664 /nfs/dbraw/zinc/67/86/64/459678664.db2.gz DDEZLSCCQIYSFY-HNNXBMFYSA-N 0 0 346.383 3.161 10 5 EGBERN COc1ccc(CC(=O)N2CCCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592733716 459678975 /nfs/dbraw/zinc/67/89/75/459678975.db2.gz BBZRNEARWOTWEY-HNNXBMFYSA-N 0 0 332.400 3.327 10 5 EGBERN CCOC(=O)c1cc(N[C@@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596567741 459679398 /nfs/dbraw/zinc/67/93/98/459679398.db2.gz VMVXMUZREPKDSU-YVEFUNNKSA-N 0 0 344.367 3.306 10 5 EGBERN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596572056 459681195 /nfs/dbraw/zinc/68/11/95/459681195.db2.gz KFQPPCZMJGRRML-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)c1 ZINC000543689151 459683332 /nfs/dbraw/zinc/68/33/32/459683332.db2.gz UGUPOTJVJJXRHJ-CQSZACIVSA-N 0 0 338.429 3.188 10 5 EGBERN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596576071 459683441 /nfs/dbraw/zinc/68/34/41/459683441.db2.gz ZDAJBXTYNZSFBD-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CC12CC(C1)CN2C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000596585586 459685219 /nfs/dbraw/zinc/68/52/19/459685219.db2.gz NKQDHCWZTTUNFQ-UHFFFAOYSA-N 0 0 343.305 3.308 10 5 EGBERN CCc1nccn1[C@@H](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592802367 459693387 /nfs/dbraw/zinc/69/33/87/459693387.db2.gz YLIMUDHPDAKPLZ-ZDUSSCGKSA-N 0 0 344.415 3.356 10 5 EGBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592880299 459710568 /nfs/dbraw/zinc/71/05/68/459710568.db2.gz GQFGQXKALPBYEF-UHFFFAOYSA-N 0 0 348.399 3.179 10 5 EGBERN Cc1ccc(NC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000596639616 459710590 /nfs/dbraw/zinc/71/05/90/459710590.db2.gz XKSQGLFMQUMZTB-ZUZCIYMTSA-N 0 0 343.330 3.180 10 5 EGBERN CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000501094751 459711057 /nfs/dbraw/zinc/71/10/57/459711057.db2.gz OEFNJJMFCFAKJD-IAQYHMDHSA-N 0 0 335.404 3.127 10 5 EGBERN Cc1n[nH]c(C(=O)NC2(c3cccc(Cl)c3)CCC2)c1[N+](=O)[O-] ZINC000592895270 459714991 /nfs/dbraw/zinc/71/49/91/459714991.db2.gz SCYRWYCEJGQKNF-UHFFFAOYSA-N 0 0 334.763 3.089 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592936658 459718907 /nfs/dbraw/zinc/71/89/07/459718907.db2.gz DLMALAUMEPRKFL-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000573705857 459722473 /nfs/dbraw/zinc/72/24/73/459722473.db2.gz JZRHSHIXFCZUHI-ONGXEEELSA-N 0 0 346.305 3.467 10 5 EGBERN Cc1cc(NCC[N@@H+](C)C2CCCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969356 459724887 /nfs/dbraw/zinc/72/48/87/459724887.db2.gz AVUIUSZZPUIZLO-UHFFFAOYSA-N 0 0 335.404 3.278 10 5 EGBERN CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593080443 459767181 /nfs/dbraw/zinc/76/71/81/459767181.db2.gz IJRBXNKRLXHTPL-RYUDHWBXSA-N 0 0 334.294 3.130 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000596823930 459771562 /nfs/dbraw/zinc/77/15/62/459771562.db2.gz SRYOWYVTGWCHSG-YOEHRIQHSA-N 0 0 349.431 3.472 10 5 EGBERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596825003 459772573 /nfs/dbraw/zinc/77/25/73/459772573.db2.gz UAVKXLBSGZNYKE-MEBBXXQBSA-N 0 0 343.330 3.180 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCCC2(C)C)c1 ZINC000593138089 459784588 /nfs/dbraw/zinc/78/45/88/459784588.db2.gz QQWIGGWZSOVYAG-UHFFFAOYSA-N 0 0 342.399 3.163 10 5 EGBERN Cc1c(NC(=O)N[C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593135940 459785026 /nfs/dbraw/zinc/78/50/26/459785026.db2.gz PCQWCNZRKSLAJJ-INIZCTEOSA-N 0 0 333.388 3.230 10 5 EGBERN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC(C)(C)C ZINC000584723531 459790992 /nfs/dbraw/zinc/79/09/92/459790992.db2.gz QQQOBQUXIZCUDF-SWLSCSKDSA-N 0 0 348.399 3.035 10 5 EGBERN COc1cc(Cc2noc([C@H](C)c3cccnc3)n2)ccc1[N+](=O)[O-] ZINC000545055027 459799171 /nfs/dbraw/zinc/79/91/71/459799171.db2.gz IDMZGOCUZUCPFM-LLVKDONJSA-N 0 0 340.339 3.124 10 5 EGBERN CC(C)(O)C1CCC(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC1 ZINC000593287936 459830318 /nfs/dbraw/zinc/83/03/18/459830318.db2.gz AANZOBSMUQXKPK-UHFFFAOYSA-N 0 0 346.387 3.272 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CCCOC1 ZINC000593294243 459831813 /nfs/dbraw/zinc/83/18/13/459831813.db2.gz HFAPCXUJYYPYAJ-AWEZNQCLSA-N 0 0 336.388 3.023 10 5 EGBERN CCC1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597091655 459835381 /nfs/dbraw/zinc/83/53/81/459835381.db2.gz BJNRKEFHJZANCT-UHFFFAOYSA-N 0 0 326.784 3.484 10 5 EGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[C@@H]1C ZINC000597100476 459837041 /nfs/dbraw/zinc/83/70/41/459837041.db2.gz JDMHJQZNKGIUKI-IUCAKERBSA-N 0 0 326.784 3.340 10 5 EGBERN CC[C@H](CSC)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102308 459837448 /nfs/dbraw/zinc/83/74/48/459837448.db2.gz WVECPCNJWMEXRC-MRVPVSSYSA-N 0 0 332.813 3.094 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(-c3ccoc3)[nH]n2)n1 ZINC000545533932 459837650 /nfs/dbraw/zinc/83/76/50/459837650.db2.gz SCIFUGZZFFLCPL-UHFFFAOYSA-N 0 0 337.295 3.219 10 5 EGBERN COc1c(C(=O)N2CCOc3c(C)cc(C)cc32)cccc1[N+](=O)[O-] ZINC000593314090 459837963 /nfs/dbraw/zinc/83/79/63/459837963.db2.gz IVGDZFFUKNSQEX-UHFFFAOYSA-N 0 0 342.351 3.259 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315518 459838756 /nfs/dbraw/zinc/83/87/56/459838756.db2.gz ZSLFAPKVXQHAHO-SJCJKPOMSA-N 0 0 347.415 3.160 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccnc1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602118454 459846411 /nfs/dbraw/zinc/84/64/11/459846411.db2.gz RKCSGFHHKHPMHV-OAHLLOKOSA-N 0 0 330.388 3.182 10 5 EGBERN COc1c(C(=O)N2CCc3ccccc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000593329156 459846712 /nfs/dbraw/zinc/84/67/12/459846712.db2.gz YGPUJDSIBJVMDA-CYBMUJFWSA-N 0 0 340.379 3.405 10 5 EGBERN CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598299646 459853665 /nfs/dbraw/zinc/85/36/65/459853665.db2.gz PSFCIAFRAVXINR-GHMZBOCLSA-N 0 0 326.343 3.453 10 5 EGBERN CC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000585810097 459853690 /nfs/dbraw/zinc/85/36/90/459853690.db2.gz IXGOUEMKMCQIML-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CNc1ccc(C(=O)NC2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000598317336 459863317 /nfs/dbraw/zinc/86/33/17/459863317.db2.gz FXZWNKVMPVQJGS-UHFFFAOYSA-N 0 0 339.342 3.334 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369350 459868822 /nfs/dbraw/zinc/86/88/22/459868822.db2.gz BBLFFVQWYPXSIV-MLGOLLRUSA-N 0 0 335.404 3.160 10 5 EGBERN CC[C@H](NC(=O)N1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372150 459869821 /nfs/dbraw/zinc/86/98/21/459869821.db2.gz XKDCFQGJAVVYES-ZDUSSCGKSA-N 0 0 327.331 3.487 10 5 EGBERN CC1(C)[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1(F)F ZINC000598341000 459871831 /nfs/dbraw/zinc/87/18/31/459871831.db2.gz NLNRXOWNZHHNIE-CYBMUJFWSA-N 0 0 339.342 3.190 10 5 EGBERN CC(C)[C@@H](O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598352882 459876142 /nfs/dbraw/zinc/87/61/42/459876142.db2.gz RUXJTOCZIXIPLI-IAGOWNOFSA-N 0 0 328.368 3.083 10 5 EGBERN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC(F)CC1 ZINC000598368198 459881225 /nfs/dbraw/zinc/88/12/25/459881225.db2.gz YPKOKATYJNATRG-KPPDAEKUSA-N 0 0 334.351 3.118 10 5 EGBERN C[C@@H](C(=O)N1CCC(c2ccon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598399752 459889599 /nfs/dbraw/zinc/88/95/99/459889599.db2.gz SSMVFOFAQPULCL-GFCCVEGCSA-N 0 0 329.356 3.093 10 5 EGBERN Nc1cc(N[C@H]2CCCOc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000587433851 459892005 /nfs/dbraw/zinc/89/20/05/459892005.db2.gz BWWBJVRHKZYZLW-HNNXBMFYSA-N 0 0 347.346 3.134 10 5 EGBERN Cc1ccc([C@H](C)N(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587404782 459892332 /nfs/dbraw/zinc/89/23/32/459892332.db2.gz GOWDLPKOPQHQON-ZDUSSCGKSA-N 0 0 329.400 3.484 10 5 EGBERN Cc1ccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245533 459894401 /nfs/dbraw/zinc/89/44/01/459894401.db2.gz ZOKPXEPHKWWUQM-AAEUAGOBSA-N 0 0 332.322 3.445 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000587972446 459897104 /nfs/dbraw/zinc/89/71/04/459897104.db2.gz GDQGWCOBWDRIGK-NSHDSACASA-N 0 0 336.417 3.385 10 5 EGBERN Cc1ccc(Cl)cc1N1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000608973255 459897603 /nfs/dbraw/zinc/89/76/03/459897603.db2.gz CRTMPSIEWREHKP-ZDUSSCGKSA-N 0 0 346.818 3.312 10 5 EGBERN CC[C@H](Cc1ccc(C)cc1)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986830 459898032 /nfs/dbraw/zinc/89/80/32/459898032.db2.gz BIANVTRIZJPANZ-MRXNPFEDSA-N 0 0 343.427 3.435 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@](CO)(c2ccccc2)C1 ZINC000593472002 459899884 /nfs/dbraw/zinc/89/98/84/459899884.db2.gz DEEXGAKLEXIEPO-FQEVSTJZSA-N 0 0 349.390 3.283 10 5 EGBERN CO[C@@H]1[C@H]2C[C@H]3CN(c4ccnc5cc([N+](=O)[O-])ccc54)[C@H]1[C@H]3C2 ZINC000593474587 459900443 /nfs/dbraw/zinc/90/04/43/459900443.db2.gz DMZUNRIXCCRWIB-RMRUMULMSA-N 0 0 325.368 3.003 10 5 EGBERN Nc1cc(NCC2(c3ccccc3F)CCC2)cc(CO)c1[N+](=O)[O-] ZINC000593479844 459901569 /nfs/dbraw/zinc/90/15/69/459901569.db2.gz JYULQQUWETWWLD-UHFFFAOYSA-N 0 0 345.374 3.342 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000593483450 459902628 /nfs/dbraw/zinc/90/26/28/459902628.db2.gz WYJRNYPDMSKHDD-CRAIPNDOSA-N 0 0 327.384 3.352 10 5 EGBERN COc1cc(NC[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000593484560 459903376 /nfs/dbraw/zinc/90/33/76/459903376.db2.gz PNSHEFATSXSGIT-SFHVURJKSA-N 0 0 346.358 3.031 10 5 EGBERN COC(=O)c1cc(C)nc(NC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000588027193 459904034 /nfs/dbraw/zinc/90/40/34/459904034.db2.gz KBRSTPKIQCQNRP-UHFFFAOYSA-N 0 0 335.282 3.228 10 5 EGBERN COc1ccc(CC(=O)N(CCC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000598466580 459904856 /nfs/dbraw/zinc/90/48/56/459904856.db2.gz QAQBYKNMBKABPA-UHFFFAOYSA-N 0 0 332.400 3.185 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598469892 459906211 /nfs/dbraw/zinc/90/62/11/459906211.db2.gz PLIGFLVJWREHIB-HNNXBMFYSA-N 0 0 342.370 3.465 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2CCO)cc1OC(F)F ZINC000588049122 459906327 /nfs/dbraw/zinc/90/63/27/459906327.db2.gz WZSAHAUNHXHYFF-LLVKDONJSA-N 0 0 330.331 3.328 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609128349 459906810 /nfs/dbraw/zinc/90/68/10/459906810.db2.gz YCJGIIRUDZWJOY-DGCLKSJQSA-N 0 0 334.372 3.268 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598506117 459924336 /nfs/dbraw/zinc/92/43/36/459924336.db2.gz DNWYDRZLASHNBP-PWSUYJOCSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)Cc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000597347779 459925075 /nfs/dbraw/zinc/92/50/75/459925075.db2.gz CEYQOFSHBXBHNY-LLVKDONJSA-N 0 0 333.775 3.372 10 5 EGBERN CC[C@H](NC(=O)c1onc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000597351308 459926336 /nfs/dbraw/zinc/92/63/36/459926336.db2.gz USARMTQMZLFMBI-AWEZNQCLSA-N 0 0 329.356 3.343 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC1(F)F ZINC000588180140 459926803 /nfs/dbraw/zinc/92/68/03/459926803.db2.gz JVNDWYUXDMDNRT-SKDRFNHKSA-N 0 0 330.356 3.379 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(c2ccccc2)CC1(C)C ZINC000598551106 459935242 /nfs/dbraw/zinc/93/52/42/459935242.db2.gz QHENDWTYYXJWAA-SFHVURJKSA-N 0 0 325.368 3.353 10 5 EGBERN COc1cnc(NC(=O)c2cc3ccccc3c3cccnc23)nc1 ZINC000575140940 459937027 /nfs/dbraw/zinc/93/70/27/459937027.db2.gz BMXSKSCNJQADIL-UHFFFAOYSA-N 0 0 330.347 3.439 10 5 EGBERN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598565292 459938516 /nfs/dbraw/zinc/93/85/16/459938516.db2.gz PXSORZCBBBPYHY-RTHLEPHNSA-N 0 0 348.733 3.133 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570663 459943515 /nfs/dbraw/zinc/94/35/15/459943515.db2.gz GBRUXSYQURJFGL-MRXNPFEDSA-N 0 0 342.342 3.214 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000598577448 459947538 /nfs/dbraw/zinc/94/75/38/459947538.db2.gz PDUCINQCBAPGIJ-LLVKDONJSA-N 0 0 341.367 3.114 10 5 EGBERN CC[C@@H](NCc1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000609358498 459950539 /nfs/dbraw/zinc/95/05/39/459950539.db2.gz KOKGFROZTATNFS-GFCCVEGCSA-N 0 0 335.433 3.215 10 5 EGBERN CCS[C@H]1CCC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598602542 459960790 /nfs/dbraw/zinc/96/07/90/459960790.db2.gz SYFXUBFHTSIJKW-MNOVXSKESA-N 0 0 339.417 3.253 10 5 EGBERN O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597480596 459969497 /nfs/dbraw/zinc/96/94/97/459969497.db2.gz ZDMMKGBADIPJAC-SHTZXODSSA-N 0 0 343.427 3.481 10 5 EGBERN COC(=O)c1ccnc(N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000598633343 459970347 /nfs/dbraw/zinc/97/03/47/459970347.db2.gz KTJPSXKWWPQFJX-UHFFFAOYSA-N 0 0 333.388 3.327 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000609543530 459980088 /nfs/dbraw/zinc/98/00/88/459980088.db2.gz SDJOFYNHNRGJPR-APPDUMDISA-N 0 0 346.408 3.115 10 5 EGBERN O=C(NC1CC2(CCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593880932 460008934 /nfs/dbraw/zinc/00/89/34/460008934.db2.gz AZULTXAMCFUOAD-UHFFFAOYSA-N 0 0 326.299 3.259 10 5 EGBERN C[C@H](Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609722062 460011223 /nfs/dbraw/zinc/01/12/23/460011223.db2.gz BRFIAMGAIOTRGF-GFCCVEGCSA-N 0 0 325.324 3.215 10 5 EGBERN Cc1cc(C(=O)NCC[C@@H]2CCc3ccccc3N2)ccc1[N+](=O)[O-] ZINC000593914257 460015334 /nfs/dbraw/zinc/01/53/34/460015334.db2.gz BYEHVAWWLHXLGC-INIZCTEOSA-N 0 0 339.395 3.450 10 5 EGBERN Cn1c2ccccc2cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC000593962214 460028890 /nfs/dbraw/zinc/02/88/90/460028890.db2.gz QIQQBKZTGCBUKC-UHFFFAOYSA-N 0 0 349.390 3.005 10 5 EGBERN COc1cc(COc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000589266760 460064192 /nfs/dbraw/zinc/06/41/92/460064192.db2.gz GGGZQTJHTYPIGL-UHFFFAOYSA-N 0 0 331.324 3.344 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000589286296 460067231 /nfs/dbraw/zinc/06/72/31/460067231.db2.gz QTUDIQNGUCVOFD-UHFFFAOYSA-N 0 0 331.416 3.354 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)OC[C@H]2C)c1 ZINC000598868121 460076202 /nfs/dbraw/zinc/07/62/02/460076202.db2.gz HJJOEBXAZONKDZ-LLVKDONJSA-N 0 0 336.413 3.100 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598881421 460082076 /nfs/dbraw/zinc/08/20/76/460082076.db2.gz RFAQCNWRVJUIAD-NVXWUHKLSA-N 0 0 332.400 3.469 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC(OC)C1 ZINC000597861941 460084373 /nfs/dbraw/zinc/08/43/73/460084373.db2.gz OKCNEWPQEONMNG-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN C[C@H](C(=O)N1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000594068758 460085022 /nfs/dbraw/zinc/08/50/22/460085022.db2.gz OTBBVUQGWANGKB-NSHDSACASA-N 0 0 329.331 3.212 10 5 EGBERN COc1c(C(=O)Nc2cncc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000597869463 460087525 /nfs/dbraw/zinc/08/75/25/460087525.db2.gz IHZDJMGRGFJOEK-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN Nc1c(C(=O)N[C@H](C(F)F)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000598912492 460092346 /nfs/dbraw/zinc/09/23/46/460092346.db2.gz DGQRPUNUSXJBSZ-ZDUSSCGKSA-N 0 0 327.331 3.121 10 5 EGBERN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1 ZINC000610244384 460095123 /nfs/dbraw/zinc/09/51/23/460095123.db2.gz HGNUAHAQZGWVBG-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1c([C@H](C)N[C@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943784 460096980 /nfs/dbraw/zinc/09/69/80/460096980.db2.gz YCRVDMKJGSRKRE-UGSOOPFHSA-N 0 0 339.395 3.267 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1[C@H]1CCOC1 ZINC000598953885 460101833 /nfs/dbraw/zinc/10/18/33/460101833.db2.gz GRCXJLQEZZJCBH-HNNXBMFYSA-N 0 0 329.356 3.227 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000610279491 460106225 /nfs/dbraw/zinc/10/62/25/460106225.db2.gz PINIPZSMALUUIB-GFCCVEGCSA-N 0 0 332.791 3.146 10 5 EGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC2(CC2)C1 ZINC000589599301 460109222 /nfs/dbraw/zinc/10/92/22/460109222.db2.gz DWZQABNIKWXNSL-UHFFFAOYSA-N 0 0 344.152 3.190 10 5 EGBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000597920180 460112192 /nfs/dbraw/zinc/11/21/92/460112192.db2.gz UBKAJKKULWDXAT-NSHDSACASA-N 0 0 348.378 3.250 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597920952 460112890 /nfs/dbraw/zinc/11/28/90/460112890.db2.gz DCCOIGHNTNLJMP-BHYGNILZSA-N 0 0 332.400 3.020 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000594136493 460120423 /nfs/dbraw/zinc/12/04/23/460120423.db2.gz JAUNYXPXQZWQFY-LBPRGKRZSA-N 0 0 340.445 3.254 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594142148 460124205 /nfs/dbraw/zinc/12/42/05/460124205.db2.gz XPTOTVPBYNGHOV-RYUDHWBXSA-N 0 0 340.395 3.405 10 5 EGBERN Cc1ccncc1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597976978 460132994 /nfs/dbraw/zinc/13/29/94/460132994.db2.gz BVPLRJZPYJXVTN-UHFFFAOYSA-N 0 0 327.384 3.394 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]2CCN(CC(F)(F)F)C2)ccc2cnccc21 ZINC000599034975 460133186 /nfs/dbraw/zinc/13/31/86/460133186.db2.gz JTHPZUAQPRJGEW-LLVKDONJSA-N 0 0 340.305 3.192 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC000597979083 460134641 /nfs/dbraw/zinc/13/46/41/460134641.db2.gz LJSKCHQXRCGTNE-SJCJKPOMSA-N 0 0 336.436 3.068 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1ncnc2c1CCCCC2 ZINC000576406625 460135984 /nfs/dbraw/zinc/13/59/84/460135984.db2.gz QPSXLCCWEOWNOW-UHFFFAOYSA-N 0 0 326.400 3.333 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594173068 460135993 /nfs/dbraw/zinc/13/59/93/460135993.db2.gz BANXNJOVSBONDS-KGLIPLIRSA-N 0 0 326.780 3.326 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594171941 460136476 /nfs/dbraw/zinc/13/64/76/460136476.db2.gz DAPTYRVUAUTWTH-RDJZCZTQSA-N 0 0 345.399 3.013 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594173067 460136800 /nfs/dbraw/zinc/13/68/00/460136800.db2.gz BANXNJOVSBONDS-KBPBESRZSA-N 0 0 326.780 3.326 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594174600 460137465 /nfs/dbraw/zinc/13/74/65/460137465.db2.gz MSMPPZHNNAQENF-LLVKDONJSA-N 0 0 326.343 3.468 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000599059188 460146062 /nfs/dbraw/zinc/14/60/62/460146062.db2.gz OQTYVXRTAGCODV-CABCVRRESA-N 0 0 327.384 3.396 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594201855 460148081 /nfs/dbraw/zinc/14/80/81/460148081.db2.gz BZXNEJNNDCIAFA-LBPRGKRZSA-N 0 0 336.363 3.298 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594201793 460148418 /nfs/dbraw/zinc/14/84/18/460148418.db2.gz AEZSBTFRKFGEIA-CQSZACIVSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594204014 460149875 /nfs/dbraw/zinc/14/98/75/460149875.db2.gz OYHFLZZPIAHPAU-CYBMUJFWSA-N 0 0 332.400 3.467 10 5 EGBERN Cn1c(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000598038975 460150618 /nfs/dbraw/zinc/15/06/18/460150618.db2.gz ISRQMQMKTQVZTC-OAHLLOKOSA-N 0 0 329.356 3.284 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)c1 ZINC000599100776 460161432 /nfs/dbraw/zinc/16/14/32/460161432.db2.gz NQRREEWEZHKDAQ-CQSZACIVSA-N 0 0 342.399 3.474 10 5 EGBERN CC[C@@H](NC(=O)N(C)[C@@H](C)c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000594237077 460164537 /nfs/dbraw/zinc/16/45/37/460164537.db2.gz ZSPHESULLGDBQC-IINYFYTJSA-N 0 0 347.375 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1oc(C(F)F)cc1C ZINC000599120862 460167248 /nfs/dbraw/zinc/16/72/48/460167248.db2.gz IKIAFOQYGVTEMM-UHFFFAOYSA-N 0 0 340.282 3.372 10 5 EGBERN Cn1ncc(C(F)(F)F)c1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000599124994 460168166 /nfs/dbraw/zinc/16/81/66/460168166.db2.gz XPSWJFHBKKNZPF-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN CO[C@@H](C)c1nsc(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599125390 460168218 /nfs/dbraw/zinc/16/82/18/460168218.db2.gz OHWFUVSJBIAFTJ-VIFPVBQESA-N 0 0 341.414 3.325 10 5 EGBERN CCCc1cncc(Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c1 ZINC000599135222 460171945 /nfs/dbraw/zinc/17/19/45/460171945.db2.gz IGSXDGZQSUNCGO-UHFFFAOYSA-N 0 0 330.340 3.450 10 5 EGBERN CC[C@H](NC(=O)CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610526852 460176849 /nfs/dbraw/zinc/17/68/49/460176849.db2.gz AVHQILKKLUURTQ-LBPRGKRZSA-N 0 0 334.294 3.131 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCc2nc(C3CC3)ncc2C1 ZINC000599160531 460182087 /nfs/dbraw/zinc/18/20/87/460182087.db2.gz LUOPXYZGDOJEOA-UHFFFAOYSA-N 0 0 347.378 3.373 10 5 EGBERN O=[N+]([O-])c1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1C(F)(F)F ZINC000599168326 460184191 /nfs/dbraw/zinc/18/41/91/460184191.db2.gz SVBGTEYQYYMLGP-GEDWGEIESA-N 0 0 348.346 3.103 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](CCF)C2)nc1-c1ccc(F)cc1 ZINC000599169582 460185399 /nfs/dbraw/zinc/18/53/99/460185399.db2.gz VFAIHHQDKVSJMG-AWEZNQCLSA-N 0 0 349.337 3.361 10 5 EGBERN Cc1cccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C(C)C)c1 ZINC000599172809 460187075 /nfs/dbraw/zinc/18/70/75/460187075.db2.gz RGTZRZSFZDMHDF-AWEZNQCLSA-N 0 0 328.372 3.206 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599189962 460193431 /nfs/dbraw/zinc/19/34/31/460193431.db2.gz ZCBLQNMWOWZRPP-HYVNUMGLSA-N 0 0 342.782 3.450 10 5 EGBERN COc1ccc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)cc1F ZINC000599193345 460194751 /nfs/dbraw/zinc/19/47/51/460194751.db2.gz JYIJXVDRWWJUSR-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599194316 460194837 /nfs/dbraw/zinc/19/48/37/460194837.db2.gz JBOZHOYODOXEIW-ZDUSSCGKSA-N 0 0 348.378 3.261 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)cc1F ZINC000599192185 460194873 /nfs/dbraw/zinc/19/48/73/460194873.db2.gz DHCGLQWARJWAJE-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN C[C@@H](c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1)c1cnccn1 ZINC000599193911 460195072 /nfs/dbraw/zinc/19/50/72/460195072.db2.gz FCHZEIPLQGXVJY-LLVKDONJSA-N 0 0 339.355 3.246 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000594367861 460197348 /nfs/dbraw/zinc/19/73/48/460197348.db2.gz CJFOAOIDEGILQJ-MRXNPFEDSA-N 0 0 339.395 3.490 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000599201261 460197426 /nfs/dbraw/zinc/19/74/26/460197426.db2.gz HTWSYPDYBSTBKA-DLGQBQFBSA-N 0 0 328.372 3.426 10 5 EGBERN C/C=C\C[C@H]1CCCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000599202450 460198301 /nfs/dbraw/zinc/19/83/01/460198301.db2.gz SWOAEQAABMFYFG-DXTPNHAXSA-N 0 0 333.388 3.349 10 5 EGBERN C[C@H](C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598201404 460202781 /nfs/dbraw/zinc/20/27/81/460202781.db2.gz LOIMXJXCNMWOGO-YEWWUXTCSA-N 0 0 340.379 3.425 10 5 EGBERN COc1cc(C(=O)NCC[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1C ZINC000598217591 460208511 /nfs/dbraw/zinc/20/85/11/460208511.db2.gz CCYKPZZWNGAXAA-CQSZACIVSA-N 0 0 328.315 3.077 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CCF)C1 ZINC000598219326 460209832 /nfs/dbraw/zinc/20/98/32/460209832.db2.gz HKFZXTZPEIWLKK-GFCCVEGCSA-N 0 0 326.393 3.285 10 5 EGBERN C[C@@]1(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(F)F ZINC000598219581 460210218 /nfs/dbraw/zinc/21/02/18/460210218.db2.gz LZPUXLVDNDYQCN-OAHLLOKOSA-N 0 0 337.326 3.101 10 5 EGBERN C[C@@]1(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1(F)F ZINC000598221697 460211720 /nfs/dbraw/zinc/21/17/20/460211720.db2.gz VURVGSSACKRXNA-OAHLLOKOSA-N 0 0 335.310 3.308 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594419126 460212721 /nfs/dbraw/zinc/21/27/21/460212721.db2.gz VBYSKQKVWBKRCD-CYBMUJFWSA-N 0 0 343.383 3.298 10 5 EGBERN Cc1sc(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610718637 460225237 /nfs/dbraw/zinc/22/52/37/460225237.db2.gz LIIIHKJYHOVEOQ-CYBMUJFWSA-N 0 0 326.418 3.290 10 5 EGBERN COc1cc(CC2CN(c3ccsc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610892399 460257355 /nfs/dbraw/zinc/25/73/55/460257355.db2.gz NWFYTJJIBSKBQI-UHFFFAOYSA-N 0 0 334.397 3.352 10 5 EGBERN CCOC(=O)CCC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000610969701 460268623 /nfs/dbraw/zinc/26/86/23/460268623.db2.gz JCGAVZJZFMLKAN-UHFFFAOYSA-N 0 0 341.795 3.203 10 5 EGBERN CCC[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033497 460280444 /nfs/dbraw/zinc/28/04/44/460280444.db2.gz MSUDAWHJYFFSNM-GOEBONIOSA-N 0 0 340.445 3.373 10 5 EGBERN CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611032785 460280637 /nfs/dbraw/zinc/28/06/37/460280637.db2.gz GCMXKMQNIJVKDV-MRXNPFEDSA-N 0 0 340.445 3.373 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000599648168 460297666 /nfs/dbraw/zinc/29/76/66/460297666.db2.gz UXFSCHSKACOHBK-GOSISDBHSA-N 0 0 346.358 3.220 10 5 EGBERN O=C(c1ocnc1C(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599696145 460315065 /nfs/dbraw/zinc/31/50/65/460315065.db2.gz IOMOCBOVBPGGFQ-UHFFFAOYSA-N 0 0 337.282 3.325 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC(=O)OC(C)(C)C ZINC000611344133 460341296 /nfs/dbraw/zinc/34/12/96/460341296.db2.gz NDFXPEHKFKKLFW-UHFFFAOYSA-N 0 0 336.388 3.145 10 5 EGBERN CC(C)OCCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829586 460343277 /nfs/dbraw/zinc/34/32/77/460343277.db2.gz IWDLADSBOOIZSG-UHFFFAOYSA-N 0 0 346.387 3.422 10 5 EGBERN CO[C@H](C)CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000599829739 460343521 /nfs/dbraw/zinc/34/35/21/460343521.db2.gz KNANLJXZUZQPMH-GFCCVEGCSA-N 0 0 346.387 3.420 10 5 EGBERN CO[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833923 460344562 /nfs/dbraw/zinc/34/45/62/460344562.db2.gz ZKDGKIIBGOKPTK-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN CCOCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834443 460344956 /nfs/dbraw/zinc/34/49/56/460344956.db2.gz GPMNGHFGNQZZSO-UHFFFAOYSA-N 0 0 346.387 3.327 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838600 460346352 /nfs/dbraw/zinc/34/63/52/460346352.db2.gz LEAJPDDWKOBJPJ-AAEUAGOBSA-N 0 0 326.356 3.311 10 5 EGBERN COC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840385 460346378 /nfs/dbraw/zinc/34/63/78/460346378.db2.gz SJPIFVMFDFRNKA-GFCCVEGCSA-N 0 0 344.371 3.176 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000603941697 460361845 /nfs/dbraw/zinc/36/18/45/460361845.db2.gz QAAAMDKTDGRRDE-LLVKDONJSA-N 0 0 342.351 3.377 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000619516746 460372936 /nfs/dbraw/zinc/37/29/36/460372936.db2.gz FRZKBLNDNHAGRV-HWPZZCPQSA-N 0 0 326.327 3.351 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2ncco2)CC1 ZINC000600070341 460376366 /nfs/dbraw/zinc/37/63/66/460376366.db2.gz LFEIBONUCOQWCS-UHFFFAOYSA-N 0 0 340.339 3.084 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611505227 460380664 /nfs/dbraw/zinc/38/06/64/460380664.db2.gz ASELSORBWIIZOG-JSGCOSHPSA-N 0 0 335.379 3.015 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC2CCCC2)n1 ZINC000611543814 460393115 /nfs/dbraw/zinc/39/31/15/460393115.db2.gz BIZISNOZLUYQIN-UHFFFAOYSA-N 0 0 348.334 3.041 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000600145929 460405247 /nfs/dbraw/zinc/40/52/47/460405247.db2.gz CZVXGMUXCITAIA-GOSISDBHSA-N 0 0 348.399 3.240 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](OC(F)F)C1 ZINC000611586103 460411408 /nfs/dbraw/zinc/41/14/08/460411408.db2.gz MFKNVCIEBLKQMV-NSHDSACASA-N 0 0 340.282 3.185 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](CC1CC1)c1ccccc1 ZINC000611598252 460412584 /nfs/dbraw/zinc/41/25/84/460412584.db2.gz BGVJNOCLFWAXRP-HNNXBMFYSA-N 0 0 326.356 3.075 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616745 460414588 /nfs/dbraw/zinc/41/45/88/460414588.db2.gz KFEYWIMCQUQOEE-SASJJMKUSA-N 0 0 325.434 3.098 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCC(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000600163971 460415217 /nfs/dbraw/zinc/41/52/17/460415217.db2.gz DQCVWJSNKLIZEV-UHFFFAOYSA-N 0 0 334.420 3.388 10 5 EGBERN Cc1cc(N[C@@H]2C[C@H]2C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000619698232 460417455 /nfs/dbraw/zinc/41/74/55/460417455.db2.gz PTGNDAYAVNNQHY-VXGBXAGGSA-N 0 0 338.289 3.145 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC(C2CCOCC2)C1 ZINC000619730234 460424009 /nfs/dbraw/zinc/42/40/09/460424009.db2.gz OSVDBUZAPRSGSM-UHFFFAOYSA-N 0 0 346.408 3.308 10 5 EGBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000604556517 460445576 /nfs/dbraw/zinc/44/55/76/460445576.db2.gz UTJCKSGCNRTGPY-OAHLLOKOSA-N 0 0 347.378 3.416 10 5 EGBERN CC[C@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000600245774 460456392 /nfs/dbraw/zinc/45/63/92/460456392.db2.gz MPMBVWCSRFIOBJ-OAHLLOKOSA-N 0 0 327.384 3.439 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(OC(C)(C)CC)C1 ZINC000600269559 460461398 /nfs/dbraw/zinc/46/13/98/460461398.db2.gz ZESDFENDSSFIPD-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)C[C@@H]2C)n1 ZINC000616066292 460462772 /nfs/dbraw/zinc/46/27/72/460462772.db2.gz WMANXUXMYRDESZ-AWEZNQCLSA-N 0 0 344.390 3.461 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC(Cc3ccco3)C2)ccc1[N+](=O)[O-] ZINC000600370403 460485288 /nfs/dbraw/zinc/48/52/88/460485288.db2.gz PXHBHDUFUNHMNR-UHFFFAOYSA-N 0 0 344.367 3.290 10 5 EGBERN CC(C)(C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600370654 460485926 /nfs/dbraw/zinc/48/59/26/460485926.db2.gz SKQHOMLXYVVZBY-UHFFFAOYSA-N 0 0 346.358 3.306 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000600391618 460487773 /nfs/dbraw/zinc/48/77/73/460487773.db2.gz XDZWTYXHMPAABH-UHFFFAOYSA-N 0 0 329.347 3.194 10 5 EGBERN Cc1cc(Cl)ccc1C1=CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000600423569 460493787 /nfs/dbraw/zinc/49/37/87/460493787.db2.gz BCUFKSCWRQJACM-UHFFFAOYSA-N 0 0 346.774 3.209 10 5 EGBERN CC1(C(=O)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000600486003 460504398 /nfs/dbraw/zinc/50/43/98/460504398.db2.gz BYFISWQQLMRLDK-UHFFFAOYSA-N 0 0 330.340 3.220 10 5 EGBERN CC1(C(=O)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCC1 ZINC000600487448 460505201 /nfs/dbraw/zinc/50/52/01/460505201.db2.gz UIYVHYSKFUHVCV-UHFFFAOYSA-N 0 0 345.399 3.048 10 5 EGBERN COC(=O)[C@](C)(NC(=O)C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600542222 460517077 /nfs/dbraw/zinc/51/70/77/460517077.db2.gz ZQFLTWFNCFARHM-GOSISDBHSA-N 0 0 348.399 3.070 10 5 EGBERN COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000612085702 460532888 /nfs/dbraw/zinc/53/28/88/460532888.db2.gz LTJKTHMULBHICA-OAHLLOKOSA-N 0 0 340.379 3.199 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC2(CCC2)[C@H]1C1CC1 ZINC000601165877 460738695 /nfs/dbraw/zinc/73/86/95/460738695.db2.gz APCZRMOTKANBJU-LLVKDONJSA-N 0 0 330.310 3.116 10 5 EGBERN C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC(F)(F)F ZINC000601176861 460741499 /nfs/dbraw/zinc/74/14/99/460741499.db2.gz SBQJBJVRUBCRKQ-RXMQYKEDSA-N 0 0 334.220 3.348 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000601187688 460745405 /nfs/dbraw/zinc/74/54/05/460745405.db2.gz VOCMKPZBXGSQCI-UWVGGRQHSA-N 0 0 348.325 3.107 10 5 EGBERN Cc1cnc(N[C@H](CO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000601208778 460750823 /nfs/dbraw/zinc/75/08/23/460750823.db2.gz KPLOKSRIFIKXDH-GFCCVEGCSA-N 0 0 341.289 3.463 10 5 EGBERN CCOC(=O)c1ccnc(N2CC(C)(C)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000601209744 460751881 /nfs/dbraw/zinc/75/18/81/460751881.db2.gz JTLIZCDNAGSLFH-AWEZNQCLSA-N 0 0 345.355 3.347 10 5 EGBERN COc1cc(N2CCO[C@H](C(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000601232309 460758884 /nfs/dbraw/zinc/75/88/84/460758884.db2.gz SEFAPRBNGVSIDN-NSHDSACASA-N 0 0 336.722 3.117 10 5 EGBERN O=C(NCC1([C@H]2CCCCO2)CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000601239977 460762222 /nfs/dbraw/zinc/76/22/22/460762222.db2.gz UCKDMGCKYYZEEA-OAHLLOKOSA-N 0 0 333.388 3.456 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2cccs2)c([N+](=O)[O-])s1 ZINC000601308661 460784292 /nfs/dbraw/zinc/78/42/92/460784292.db2.gz BRFMIYLOHVDDBZ-SECBINFHSA-N 0 0 346.455 3.408 10 5 EGBERN Cc1cc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)c([N+](=O)[O-])s1 ZINC000601308522 460784295 /nfs/dbraw/zinc/78/42/95/460784295.db2.gz UUEOYBRIWLHBNL-SECBINFHSA-N 0 0 338.410 3.277 10 5 EGBERN O=C(NCCc1ccccc1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601343781 460791675 /nfs/dbraw/zinc/79/16/75/460791675.db2.gz RBJLIXRYOMXYJN-UHFFFAOYSA-N 0 0 340.379 3.081 10 5 EGBERN O=C(NCCCc1ccccn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601351768 460792312 /nfs/dbraw/zinc/79/23/12/460792312.db2.gz OJCNKHMCHCCZNG-UHFFFAOYSA-N 0 0 339.395 3.161 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cccnc2)CC1 ZINC000617285900 460796131 /nfs/dbraw/zinc/79/61/31/460796131.db2.gz DMZAPIYRRAFVFV-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN CC(C)(C(=O)Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612997987 460798500 /nfs/dbraw/zinc/79/85/00/460798500.db2.gz SDYWYVZDUBMBJV-UHFFFAOYSA-N 0 0 342.330 3.298 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccncc1 ZINC000601392853 460803241 /nfs/dbraw/zinc/80/32/41/460803241.db2.gz VALWQQAIGGWRKC-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601408492 460805825 /nfs/dbraw/zinc/80/58/25/460805825.db2.gz CAFQDSGMFWEQQA-NSHDSACASA-N 0 0 348.371 3.186 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1csc(C)c1C ZINC000601563656 460834237 /nfs/dbraw/zinc/83/42/37/460834237.db2.gz YZWVDJYDEXLULF-UHFFFAOYSA-N 0 0 349.412 3.281 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000601586600 460839601 /nfs/dbraw/zinc/83/96/01/460839601.db2.gz MSWJEIDBHVTWFU-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN CO[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1(C)C ZINC000601613706 460846715 /nfs/dbraw/zinc/84/67/15/460846715.db2.gz SLUPLQODBVCDSX-MRXNPFEDSA-N 0 0 346.427 3.290 10 5 EGBERN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)C(=O)C1 ZINC000613184377 460854377 /nfs/dbraw/zinc/85/43/77/460854377.db2.gz DPWOMTIQICNUAA-AWEZNQCLSA-N 0 0 325.368 3.005 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601659286 460860280 /nfs/dbraw/zinc/86/02/80/460860280.db2.gz NTJPVUQUJNULAX-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000601662891 460862447 /nfs/dbraw/zinc/86/24/47/460862447.db2.gz UHVFIOSWTPMZQD-GFCCVEGCSA-N 0 0 336.363 3.298 10 5 EGBERN O=C(NC1CCC2(CC2(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601672121 460864777 /nfs/dbraw/zinc/86/47/77/460864777.db2.gz SXBFNPRJXPPDSB-UHFFFAOYSA-N 0 0 328.290 3.432 10 5 EGBERN CCn1nc(C)c(CN(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000601706238 460879043 /nfs/dbraw/zinc/87/90/43/460879043.db2.gz VJROHQFGJORWEE-GFCCVEGCSA-N 0 0 344.415 3.190 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)[C@H](C)C2CC2)n1 ZINC000601715441 460881190 /nfs/dbraw/zinc/88/11/90/460881190.db2.gz QZOINCVGEYVMRN-GFCCVEGCSA-N 0 0 328.372 3.257 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601728186 460885058 /nfs/dbraw/zinc/88/50/58/460885058.db2.gz OJLYGYMPGMLWCM-KRWDZBQOSA-N 0 0 338.379 3.185 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000613300120 460901273 /nfs/dbraw/zinc/90/12/73/460901273.db2.gz BJLQCRDTEQAQFX-AWEZNQCLSA-N 0 0 343.387 3.277 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C)(F)CC1 ZINC000601863606 460928836 /nfs/dbraw/zinc/92/88/36/460928836.db2.gz GTPNGKNIJIRJID-UHFFFAOYSA-N 0 0 333.367 3.202 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601880613 460934640 /nfs/dbraw/zinc/93/46/40/460934640.db2.gz CGGIQRCKRLUXFR-SJORKVTESA-N 0 0 346.427 3.336 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSCc1nc(C2CCCC2)no1 ZINC000601917675 460942778 /nfs/dbraw/zinc/94/27/78/460942778.db2.gz SQLRIHDDLLUIDC-UHFFFAOYSA-N 0 0 337.405 3.074 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000618078170 461081214 /nfs/dbraw/zinc/08/12/14/461081214.db2.gz XNVCMDDCTGQVCQ-GFCCVEGCSA-N 0 0 344.367 3.493 10 5 EGBERN COc1cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1F ZINC000184208243 533803707 /nfs/dbraw/zinc/80/37/07/533803707.db2.gz DWKAUDGOQULWAE-CQSZACIVSA-N 0 0 348.378 3.085 10 5 EGBERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191611258 534150769 /nfs/dbraw/zinc/15/07/69/534150769.db2.gz FNGOHIVERMXSBQ-GWCFXTLKSA-N 0 0 326.780 3.022 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000183588901 534425026 /nfs/dbraw/zinc/42/50/26/534425026.db2.gz XYBKSNOGQUEXJF-IUCAKERBSA-N 0 0 332.282 3.232 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCC(CO)CC1 ZINC000183187860 527525238 /nfs/dbraw/zinc/52/52/38/527525238.db2.gz OQNRJBHVTOMDCH-ACCUITESSA-N 0 0 332.400 3.008 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C(F)(F)F)CC1 ZINC000351151931 536887187 /nfs/dbraw/zinc/88/71/87/536887187.db2.gz XYZPZGKNDHGIHY-UHFFFAOYSA-N 0 0 333.266 3.067 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCc1ccccc1 ZINC000219435315 547242246 /nfs/dbraw/zinc/24/22/46/547242246.db2.gz ANSCUVUDUZNUAR-UHFFFAOYSA-N 0 0 341.411 3.082 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000352598562 547684765 /nfs/dbraw/zinc/68/47/65/547684765.db2.gz SCHUCHMTEDJZRD-UHFFFAOYSA-N 0 0 335.310 3.340 10 5 EGBERN CCc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)no1 ZINC000682001789 550059905 /nfs/dbraw/zinc/05/99/05/550059905.db2.gz KMBMYYXMWKNLPZ-UHFFFAOYSA-N 0 0 333.347 3.484 10 5 EGBERN Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000726810868 574572349 /nfs/dbraw/zinc/57/23/49/574572349.db2.gz YKFKFOCBFCLWKR-UHFFFAOYSA-N 0 0 347.352 3.315 10 5 EGBERN Cc1cn2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2n1 ZINC000726946526 574618273 /nfs/dbraw/zinc/61/82/73/574618273.db2.gz AXMDUUSIPMSPEO-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COC(=O)c1cc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)oc1C ZINC000728202164 574729456 /nfs/dbraw/zinc/72/94/56/574729456.db2.gz UBOZJUVDAKYFAJ-JTQLQIEISA-N 0 0 330.340 3.234 10 5 EGBERN O=C(OC[C@@H]1CCCS1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751177904 574751512 /nfs/dbraw/zinc/75/15/12/574751512.db2.gz WRQXUANMNJETIL-VIFPVBQESA-N 0 0 346.202 3.410 10 5 EGBERN CN(C)c1ncccc1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000729634359 574874515 /nfs/dbraw/zinc/87/45/15/574874515.db2.gz UYPMHBPUYCASGU-UHFFFAOYSA-N 0 0 329.385 3.278 10 5 EGBERN CCN(C)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000730242368 574961999 /nfs/dbraw/zinc/96/19/99/574961999.db2.gz SEYSRBDVMNPNPS-UHFFFAOYSA-N 0 0 333.413 3.351 10 5 EGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)ccc1F ZINC000730300967 574967942 /nfs/dbraw/zinc/96/79/42/574967942.db2.gz ZEAINQAPITXQNF-SECBINFHSA-N 0 0 335.262 3.301 10 5 EGBERN COc1cccc(C(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000730645568 575007776 /nfs/dbraw/zinc/00/77/76/575007776.db2.gz YKNFMHLJVPHGHH-UHFFFAOYSA-N 0 0 349.726 3.297 10 5 EGBERN O=C(NC1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000730970325 575041180 /nfs/dbraw/zinc/04/11/80/575041180.db2.gz YBNNMCOMASIBLC-UHFFFAOYSA-N 0 0 343.358 3.133 10 5 EGBERN CN1CCCc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc21 ZINC000731461291 575074723 /nfs/dbraw/zinc/07/47/23/575074723.db2.gz NKJKORQWXVEDKB-UHFFFAOYSA-N 0 0 329.331 3.369 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000731516484 575079020 /nfs/dbraw/zinc/07/90/20/575079020.db2.gz IGNIABWERYUMJU-QMMMGPOBSA-N 0 0 337.307 3.332 10 5 EGBERN Cn1cccc(C(=O)OCc2nc3ccccc3c3ccccc23)c1=O ZINC000733502699 575356224 /nfs/dbraw/zinc/35/62/24/575356224.db2.gz DBBOSUSDRJBVEJ-UHFFFAOYSA-N 0 0 344.370 3.444 10 5 EGBERN C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000733803657 575398436 /nfs/dbraw/zinc/39/84/36/575398436.db2.gz WYMACDWAWVKBDZ-AWEZNQCLSA-N 0 0 346.431 3.005 10 5 EGBERN C[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000734617349 575528518 /nfs/dbraw/zinc/52/85/18/575528518.db2.gz XPOZJBAVUNAUSK-LBPRGKRZSA-N 0 0 338.323 3.094 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000735349595 575647955 /nfs/dbraw/zinc/64/79/55/575647955.db2.gz FACZTDGDEFZKTN-BQYQJAHWSA-N 0 0 348.355 3.038 10 5 EGBERN Cc1nc([C@@H]2CCCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)no1 ZINC000737613952 576254764 /nfs/dbraw/zinc/25/47/64/576254764.db2.gz CUOKXQHPBMMTMG-XMELGKRDSA-N 0 0 342.355 3.053 10 5 EGBERN CN(C)C(=O)Nc1cccc(C(=O)OCc2csc([N+](=O)[O-])c2)c1 ZINC000740372651 576579798 /nfs/dbraw/zinc/57/97/98/576579798.db2.gz MYKVFJKBSQYURE-UHFFFAOYSA-N 0 0 349.368 3.107 10 5 EGBERN C[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000740985323 576643406 /nfs/dbraw/zinc/64/34/06/576643406.db2.gz REJWAHCCLIWFAF-LBPRGKRZSA-N 0 0 346.408 3.146 10 5 EGBERN CC(=O)Nc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000741911931 576733383 /nfs/dbraw/zinc/73/33/83/576733383.db2.gz MYQXWAWSVIWPOC-UHFFFAOYSA-N 0 0 349.293 3.013 10 5 EGBERN CCOC(=O)Cc1ccccc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000742259557 576763589 /nfs/dbraw/zinc/76/35/89/576763589.db2.gz GVYCCZCEHNNEIL-UHFFFAOYSA-N 0 0 332.331 3.452 10 5 EGBERN COc1ccc(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cn1 ZINC000744315319 576825189 /nfs/dbraw/zinc/82/51/89/576825189.db2.gz BXBKPPRPOXHWHK-UHFFFAOYSA-N 0 0 334.353 3.077 10 5 EGBERN CCn1ccnc1/C=C/C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000095469048 1292944484 /nfs/dbraw/zinc/94/44/84/1292944484.db2.gz YTIZGGFWTFKZGX-SBDDDAINSA-N 0 0 329.356 3.437 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(OC)c(O)c1 ZINC000096867711 1292954737 /nfs/dbraw/zinc/95/47/37/1292954737.db2.gz CHAGVBRWXDLOHA-XQRVVYSFSA-N 0 0 344.323 3.051 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)OCCC(F)(F)F)cc1SC ZINC000103221355 1292998181 /nfs/dbraw/zinc/99/81/81/1292998181.db2.gz CMJLGNYDDXHJBP-UHFFFAOYSA-N 0 0 339.291 3.435 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(F)cc2Cl)c1 ZINC000133983171 1293759125 /nfs/dbraw/zinc/75/91/25/1293759125.db2.gz BFWJHHXHBXQJSH-UHFFFAOYSA-N 0 0 345.735 3.296 10 5 EGBERN CN1C[C@H](NC(=O)c2c3ccccc3cc3ccccc32)CCC1=O ZINC000173452387 1294462249 /nfs/dbraw/zinc/46/22/49/1294462249.db2.gz NPMBBUBZXRRPLC-MRXNPFEDSA-N 0 0 332.403 3.344 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC(C)(C)CC[C@H]1O ZINC000870495015 1295903488 /nfs/dbraw/zinc/90/34/88/1295903488.db2.gz NFHWKJNIJADPOB-DGCLKSJQSA-N 0 0 340.807 3.226 10 5 EGBERN Cc1cc(C(=O)OCc2cnn(CC(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000870609565 1295974845 /nfs/dbraw/zinc/97/48/45/1295974845.db2.gz LPQUHDAAQDUMFG-UHFFFAOYSA-N 0 0 343.261 3.019 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C[C@H](C)c1cnn(C)c1 ZINC000870700106 1296028306 /nfs/dbraw/zinc/02/83/06/1296028306.db2.gz DNXFPFSBELFJMU-LBPRGKRZSA-N 0 0 331.372 3.182 10 5 EGBERN O=C(CCSc1ccccc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829053 1296106120 /nfs/dbraw/zinc/10/61/20/1296106120.db2.gz FEEGTZPRIDVXLT-UHFFFAOYSA-N 0 0 347.396 3.220 10 5 EGBERN C[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000870827517 1296106177 /nfs/dbraw/zinc/10/61/77/1296106177.db2.gz CSQDADYVCZIAFL-KKJMOOEGSA-N 0 0 349.774 3.495 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCC[C@H]1C1CC1 ZINC000870828035 1296106394 /nfs/dbraw/zinc/10/63/94/1296106394.db2.gz JWCUSQXDSZLOES-UAOKOLBASA-N 0 0 333.388 3.254 10 5 EGBERN C[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000870827518 1296106651 /nfs/dbraw/zinc/10/66/51/1296106651.db2.gz CSQDADYVCZIAFL-ZZJLNTIPSA-N 0 0 349.774 3.495 10 5 EGBERN CCC[C@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C(=O)OCC ZINC000233369207 1296178285 /nfs/dbraw/zinc/17/82/85/1296178285.db2.gz CEYKFVXQGSJMRS-LBPRGKRZSA-N 0 0 346.177 3.468 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1Cl ZINC000871120126 1296233016 /nfs/dbraw/zinc/23/30/16/1296233016.db2.gz KSJFWCXEZFPZGT-DZGCQCFKSA-N 0 0 338.791 3.326 10 5 EGBERN CC(C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCCO1 ZINC000871167248 1296254988 /nfs/dbraw/zinc/25/49/88/1296254988.db2.gz RTJREVAHAQMAIH-OAHLLOKOSA-N 0 0 331.372 3.154 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871194814 1296265682 /nfs/dbraw/zinc/26/56/82/1296265682.db2.gz ZXBWJBOFSLZKPK-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000871200090 1296270494 /nfs/dbraw/zinc/27/04/94/1296270494.db2.gz MUAAURYNWXJLPD-FQQZZHAUSA-N 0 0 344.411 3.150 10 5 EGBERN O=C(NOCCCC(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000871217069 1296280483 /nfs/dbraw/zinc/28/04/83/1296280483.db2.gz KCDDBTPXVLCAKI-NWDGAFQWSA-N 0 0 332.278 3.089 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000871283450 1296317442 /nfs/dbraw/zinc/31/74/42/1296317442.db2.gz FPMZCJGQEOHOFG-NHYWBVRUSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871287871 1296318870 /nfs/dbraw/zinc/31/88/70/1296318870.db2.gz YCLVXDOMEFPBLF-ABAIWWIYSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(NC[C@H]1CCC12CCOCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871582094 1296441954 /nfs/dbraw/zinc/44/19/54/1296441954.db2.gz NBAPQMMXCQJHQL-LLVKDONJSA-N 0 0 338.791 3.185 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000871583789 1296442611 /nfs/dbraw/zinc/44/26/11/1296442611.db2.gz XOJJTRFAHMWPNE-HECSCLNYSA-N 0 0 344.411 3.321 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OCC[C@H]1CCCCO1 ZINC000871693843 1296483571 /nfs/dbraw/zinc/48/35/71/1296483571.db2.gz FOJUTSUGRBZEEY-SECBINFHSA-N 0 0 331.166 3.090 10 5 EGBERN CO[C@H]1C[C@@H](CSCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000871712703 1296495929 /nfs/dbraw/zinc/49/59/29/1296495929.db2.gz NKINLULHSPZWIO-PHIMTYICSA-N 0 0 335.385 3.303 10 5 EGBERN COc1ccc(CCC(=O)NO[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000871799547 1296541353 /nfs/dbraw/zinc/54/13/53/1296541353.db2.gz PFUBXIYPPCLTCJ-ZDUSSCGKSA-N 0 0 344.367 3.345 10 5 EGBERN Cc1c(C[NH2+]Cc2cccc(CCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000871875697 1296584959 /nfs/dbraw/zinc/58/49/59/1296584959.db2.gz OHFWOUCVOUZTOR-UHFFFAOYSA-N 0 0 328.368 3.210 10 5 EGBERN C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043405 1296692210 /nfs/dbraw/zinc/69/22/10/1296692210.db2.gz HWBQNRGBKATXIG-GXTWGEPZSA-N 0 0 349.406 3.176 10 5 EGBERN C[C@@H](Nc1ccc(COCCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080941 1296722987 /nfs/dbraw/zinc/72/29/87/1296722987.db2.gz CLOWGJZXQZRKIA-GFCCVEGCSA-N 0 0 334.347 3.416 10 5 EGBERN CC(=O)C1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000872797932 1297116197 /nfs/dbraw/zinc/11/61/97/1297116197.db2.gz DPWGWAMYBGEFQG-UHFFFAOYSA-N 0 0 335.385 3.130 10 5 EGBERN CCC[C@H](Oc1cc(Br)ccc1[N+](=O)[O-])C(=O)OCC ZINC000703803718 1298202484 /nfs/dbraw/zinc/20/24/84/1298202484.db2.gz XCSZHGYWNMJHPM-NSHDSACASA-N 0 0 346.177 3.468 10 5 EGBERN Cn1cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])n1 ZINC000877141387 1299178746 /nfs/dbraw/zinc/17/87/46/1299178746.db2.gz WAIXUEZVLFMRTJ-UHFFFAOYSA-N 0 0 337.383 3.099 10 5 EGBERN COCc1ccc(NCc2cn(C)nc2[N+](=O)[O-])cc1C(F)(F)F ZINC000877629109 1299442495 /nfs/dbraw/zinc/44/24/95/1299442495.db2.gz OSACQZMUGPBDTN-UHFFFAOYSA-N 0 0 344.293 3.106 10 5 EGBERN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000881269629 1301508960 /nfs/dbraw/zinc/50/89/60/1301508960.db2.gz IMBWWPSFZFUHEE-CQSZACIVSA-N 0 0 347.758 3.156 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000882086209 1301822020 /nfs/dbraw/zinc/82/20/20/1301822020.db2.gz DJDUDWLSFWFHGE-LRDDRELGSA-N 0 0 328.372 3.081 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](Oc2ccccc2)C1 ZINC000882633624 1302040105 /nfs/dbraw/zinc/04/01/05/1302040105.db2.gz UJLNNYYZRGCHDK-OAHLLOKOSA-N 0 0 326.352 3.455 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000882643623 1302042892 /nfs/dbraw/zinc/04/28/92/1302042892.db2.gz UVSVLSDDYWNPSN-VFZGTOFNSA-N 0 0 328.315 3.046 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000882718649 1302076876 /nfs/dbraw/zinc/07/68/76/1302076876.db2.gz KZRXZNNUUWTACD-ZANVPECISA-N 0 0 346.305 3.344 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(C2CCC2)CC1 ZINC000884981085 1303018544 /nfs/dbraw/zinc/01/85/44/1303018544.db2.gz FOIDAAHNKCDFSZ-BUHFOSPRSA-N 0 0 344.411 3.152 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1CC1CC1 ZINC000886467819 1303471923 /nfs/dbraw/zinc/47/19/23/1303471923.db2.gz LNBFQYUYFMGNRT-OJNOIJSXSA-N 0 0 330.384 3.026 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000888017215 1304015410 /nfs/dbraw/zinc/01/54/10/1304015410.db2.gz JITFPRJYCSVVIY-OANVXVOSSA-N 0 0 328.290 3.409 10 5 EGBERN CC(C)(NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000890104087 1304677058 /nfs/dbraw/zinc/67/70/58/1304677058.db2.gz QRXNHJLNHRDFGD-QAPCUYQASA-N 0 0 347.415 3.231 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1C(F)F ZINC000890444189 1304789554 /nfs/dbraw/zinc/78/95/54/1304789554.db2.gz MKWMOIXTRSUSEQ-UHFFFAOYSA-N 0 0 335.310 3.242 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885728 1306112610 /nfs/dbraw/zinc/11/26/10/1306112610.db2.gz HAFPAUCWPWTENG-DZGCQCFKSA-N 0 0 342.399 3.043 10 5 EGBERN C/C(=C/C(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000893909187 1306124237 /nfs/dbraw/zinc/12/42/37/1306124237.db2.gz KVNGXMZAJFKPEB-DVFVSVACSA-N 0 0 330.384 3.216 10 5 EGBERN Cn1cc(Cl)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000893931240 1306133746 /nfs/dbraw/zinc/13/37/46/1306133746.db2.gz NFQMGEINHMVGEC-UHFFFAOYSA-N 0 0 334.763 3.042 10 5 EGBERN COC(=O)c1cc(CNCc2ccccc2[N+](=O)[O-])[nH]c1C(C)C ZINC000894188191 1306268023 /nfs/dbraw/zinc/26/80/23/1306268023.db2.gz SAUOUBLIWHHBRF-UHFFFAOYSA-N 0 0 331.372 3.123 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccc(C)cc2)C2CCC2)n1 ZINC000894232047 1306292552 /nfs/dbraw/zinc/29/25/52/1306292552.db2.gz VFTPWYMSVQXRSF-UHFFFAOYSA-N 0 0 328.372 3.319 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)no1 ZINC000894269687 1306312959 /nfs/dbraw/zinc/31/29/59/1306312959.db2.gz SZEDRXFZPLPVRW-DHZHZOJOSA-N 0 0 327.340 3.180 10 5 EGBERN CC(C)Oc1cc(C(=O)NC[C@@H]2CC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000894402741 1308856313 /nfs/dbraw/zinc/85/63/13/1308856313.db2.gz JQNMUADAVQPBAG-AWEZNQCLSA-N 0 0 348.399 3.071 10 5 EGBERN O=C(NC[C@H]1CC2(CCC2)CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000894412853 1308864803 /nfs/dbraw/zinc/86/48/03/1308864803.db2.gz HRQPUHPCOOQDAE-CYBMUJFWSA-N 0 0 330.340 3.030 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000894699343 1309027010 /nfs/dbraw/zinc/02/70/10/1309027010.db2.gz DMTOKYSKKHTWNH-ZBFHGGJFSA-N 0 0 348.399 3.023 10 5 EGBERN CCn1cc(Cl)c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000894900335 1309120196 /nfs/dbraw/zinc/12/01/96/1309120196.db2.gz HNZIHLBTROGFSS-UHFFFAOYSA-N 0 0 336.779 3.381 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1Cl ZINC000895068753 1309177737 /nfs/dbraw/zinc/17/77/37/1309177737.db2.gz KQPFBJRZEALBKI-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN CC(=O)c1c(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000895589623 1309416697 /nfs/dbraw/zinc/41/66/97/1309416697.db2.gz RNECQYVNBKVYGV-RHDGDCLCSA-N 0 0 340.379 3.302 10 5 EGBERN CCSCc1cccnc1NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895689827 1309467147 /nfs/dbraw/zinc/46/71/47/1309467147.db2.gz WFBNVDRHVPABML-UHFFFAOYSA-N 0 0 333.417 3.255 10 5 EGBERN CC1(C)CC[C@@H](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)OC1 ZINC000895958334 1309612716 /nfs/dbraw/zinc/61/27/16/1309612716.db2.gz OCCKAJOBKSSBOD-ZDUSSCGKSA-N 0 0 331.372 3.316 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2nc(C(C)(C)C)cc2C1 ZINC000896229094 1309757820 /nfs/dbraw/zinc/75/78/20/1309757820.db2.gz ZVBXMFGJQPHADT-UHFFFAOYSA-N 0 0 342.399 3.312 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000897071700 1310166651 /nfs/dbraw/zinc/16/66/51/1310166651.db2.gz WFANPJFVUVGDSZ-GUYCJALGSA-N 0 0 327.388 3.030 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Cc2nccs2)C1 ZINC000897285574 1310269078 /nfs/dbraw/zinc/26/90/78/1310269078.db2.gz YQGIWXBMRBFDKU-LBPRGKRZSA-N 0 0 331.397 3.323 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1C ZINC000897655442 1310425070 /nfs/dbraw/zinc/42/50/70/1310425070.db2.gz LZGKHBOGVZMSFQ-GJZGRUSLSA-N 0 0 325.368 3.140 10 5 EGBERN CCOc1cc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000917552712 1319834421 /nfs/dbraw/zinc/83/44/21/1319834421.db2.gz KQWBCPCHGBMMSQ-GXFFZTMASA-N 0 0 335.278 3.482 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000929221836 1328541274 /nfs/dbraw/zinc/54/12/74/1328541274.db2.gz XAFNFOTXQYWUBL-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1OC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000857599231 1328559304 /nfs/dbraw/zinc/55/93/04/1328559304.db2.gz AHWZDJZYGWPIBY-LLVKDONJSA-N 0 0 343.261 3.199 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000857687999 1328584827 /nfs/dbraw/zinc/58/48/27/1328584827.db2.gz NUEAONXUJUDPNY-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC1(Cl)Cl ZINC000857688923 1328584832 /nfs/dbraw/zinc/58/48/32/1328584832.db2.gz RMWQSYFAZOLVKG-ZXCPCRMDSA-N 0 0 329.183 3.308 10 5 EGBERN COc1cc(N[C@@H]2CCCc3nn(C)cc32)c(Cl)cc1[N+](=O)[O-] ZINC000857899207 1328618658 /nfs/dbraw/zinc/61/86/58/1328618658.db2.gz ZJDDADWSBJACNW-LLVKDONJSA-N 0 0 336.779 3.480 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858041393 1328668066 /nfs/dbraw/zinc/66/80/66/1328668066.db2.gz UIXLVMAKIKLPSX-CYBMUJFWSA-N 0 0 349.337 3.230 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCCC[C@@H]1CCO ZINC000858391191 1328752101 /nfs/dbraw/zinc/75/21/01/1328752101.db2.gz ZHCAKEOUTPMKCX-CQSZACIVSA-N 0 0 328.368 3.125 10 5 EGBERN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])cc1 ZINC000858496429 1328780101 /nfs/dbraw/zinc/78/01/01/1328780101.db2.gz MVVVLHUTLUMVEM-GLQYFDAESA-N 0 0 335.429 3.335 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000930099463 1328785200 /nfs/dbraw/zinc/78/52/00/1328785200.db2.gz LAJBVXLVVGSDIW-RISCZKNCSA-N 0 0 330.306 3.063 10 5 EGBERN O=C(C=C1CCSCC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384899 1319020019 /nfs/dbraw/zinc/02/00/19/1319020019.db2.gz INPDIJJFQKGMCH-UHFFFAOYSA-N 0 0 344.795 3.457 10 5 EGBERN COc1ccc(C(=O)CNC(=O)[C@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC000913531216 1319058066 /nfs/dbraw/zinc/05/80/66/1319058066.db2.gz GVZGRAMFPLBNLA-ZDUSSCGKSA-N 0 0 346.383 3.039 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913588094 1319065354 /nfs/dbraw/zinc/06/53/54/1319065354.db2.gz CONXPRHQJRIUFA-NSHDSACASA-N 0 0 328.372 3.003 10 5 EGBERN C[C@@](CO)(NC(=O)[C@@H]1CCC=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000913659721 1319089873 /nfs/dbraw/zinc/08/98/73/1319089873.db2.gz LCPGWVVZCKEMRA-KDOFPFPSSA-N 0 0 332.400 3.055 10 5 EGBERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000915129491 1319430340 /nfs/dbraw/zinc/43/03/40/1319430340.db2.gz JUUXUPVRBGLVKM-BDJLRTHQSA-N 0 0 340.335 3.409 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000858692597 1328832264 /nfs/dbraw/zinc/83/22/64/1328832264.db2.gz XQWYFLUREOGPRL-ZDUSSCGKSA-N 0 0 348.403 3.334 10 5 EGBERN COC(=O)C1=CC[C@@H](Nc2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000858692835 1328832357 /nfs/dbraw/zinc/83/23/57/1328832357.db2.gz XBBWCRHALBNAFL-GFCCVEGCSA-N 0 0 327.340 3.125 10 5 EGBERN CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858726309 1328842374 /nfs/dbraw/zinc/84/23/74/1328842374.db2.gz BYWXQIHGABDNLW-OAHLLOKOSA-N 0 0 328.368 3.389 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000858732744 1328845833 /nfs/dbraw/zinc/84/58/33/1328845833.db2.gz DMKMLRPLKXXIAW-SNVBAGLBSA-N 0 0 342.298 3.260 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000917321631 1319789342 /nfs/dbraw/zinc/78/93/42/1319789342.db2.gz OMRMWUIMEYGMAM-DGCLKSJQSA-N 0 0 340.713 3.459 10 5 EGBERN Cc1ccc2oc(=O)n(CN3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c2c1 ZINC000917615798 1319851126 /nfs/dbraw/zinc/85/11/26/1319851126.db2.gz VEGJLHGIKNVVRL-LBPRGKRZSA-N 0 0 339.351 3.220 10 5 EGBERN CC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930627234 1328919233 /nfs/dbraw/zinc/91/92/33/1328919233.db2.gz PCRDSVFDPQLFQO-UHFFFAOYSA-N 0 0 341.205 3.158 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000930732284 1328951956 /nfs/dbraw/zinc/95/19/56/1328951956.db2.gz FBZBYJVWGNGTRF-HNNXBMFYSA-N 0 0 329.360 3.006 10 5 EGBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859450371 1328989676 /nfs/dbraw/zinc/98/96/76/1328989676.db2.gz PGBKSGAIWZNAQX-BDAKNGLRSA-N 0 0 349.261 3.282 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1([C@H]2CCCCO2)CC1 ZINC000930864676 1328991563 /nfs/dbraw/zinc/99/15/63/1328991563.db2.gz VEFUNRKDDDMXAI-OAHLLOKOSA-N 0 0 333.388 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000930881988 1328995327 /nfs/dbraw/zinc/99/53/27/1328995327.db2.gz BOZBZNZAKJUOKI-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)OCC(C)C ZINC000920793076 1322223632 /nfs/dbraw/zinc/22/36/32/1322223632.db2.gz KARBQJMACYCKAW-LBPRGKRZSA-N 0 0 325.361 3.098 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000920954402 1322238534 /nfs/dbraw/zinc/23/85/34/1322238534.db2.gz KENVPQPEKUKKDS-HKUYNNGSSA-N 0 0 340.379 3.166 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000921337051 1322295734 /nfs/dbraw/zinc/29/57/34/1322295734.db2.gz DGFJGYSIHSCAIV-DYVFJYSZSA-N 0 0 335.404 3.223 10 5 EGBERN C[C@@H]1c2sccc2CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000921510661 1322334774 /nfs/dbraw/zinc/33/47/74/1322334774.db2.gz NNASIQOHQFJFPL-SNVBAGLBSA-N 0 0 334.372 3.484 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCSC[C@H]1c1ccccc1 ZINC000921636143 1322367661 /nfs/dbraw/zinc/36/76/61/1322367661.db2.gz MYLCUUNNCDLNJB-AWEZNQCLSA-N 0 0 331.397 3.243 10 5 EGBERN O=C(CCCC(F)(F)F)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859621727 1329037617 /nfs/dbraw/zinc/03/76/17/1329037617.db2.gz PFLMXFKKQXEUFA-UHFFFAOYSA-N 0 0 337.225 3.192 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000924178838 1322924779 /nfs/dbraw/zinc/92/47/79/1322924779.db2.gz MWCIDXUQZNPEAD-JTQLQIEISA-N 0 0 326.780 3.183 10 5 EGBERN Cc1c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)ccn1C(C)C ZINC000859704478 1329058425 /nfs/dbraw/zinc/05/84/25/1329058425.db2.gz YHCYAQZPRQRVTG-UHFFFAOYSA-N 0 0 348.330 3.464 10 5 EGBERN O=C(COC(=O)[C@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000859707139 1329059868 /nfs/dbraw/zinc/05/98/68/1329059868.db2.gz BJFXNTURQZXJHO-LLVKDONJSA-N 0 0 345.273 3.285 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@]2(C)C=CCC2)cccc1[N+](=O)[O-] ZINC000924410323 1323011174 /nfs/dbraw/zinc/01/11/74/1323011174.db2.gz ODTYBVWODJOQSB-YVEFUNNKSA-N 0 0 332.356 3.130 10 5 EGBERN O=C(NCC1(C2(O)CCC2)CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924946183 1323224163 /nfs/dbraw/zinc/22/41/63/1323224163.db2.gz PYZDTWKQFBMEKV-UHFFFAOYSA-N 0 0 338.791 3.063 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC1CC1 ZINC000931262185 1329081090 /nfs/dbraw/zinc/08/10/90/1329081090.db2.gz MYQVTHWDMZUZAL-CQSZACIVSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(OCCO[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811356 1329083581 /nfs/dbraw/zinc/08/35/81/1329083581.db2.gz NOFKMPOSSYZNPL-QGZVFWFLSA-N 0 0 345.351 3.448 10 5 EGBERN CCCNC(=O)CCCOC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811255 1329082969 /nfs/dbraw/zinc/08/29/69/1329082969.db2.gz KKYFIFUMSINOHU-UHFFFAOYSA-N 0 0 344.367 3.211 10 5 EGBERN CCN(Cc1ccncc1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931333432 1329096265 /nfs/dbraw/zinc/09/62/65/1329096265.db2.gz FUOVAAZKETYYKS-UHFFFAOYSA-N 0 0 331.347 3.110 10 5 EGBERN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054005 1329136029 /nfs/dbraw/zinc/13/60/29/1329136029.db2.gz FNEPSUKEBTXDNI-QWRGUYRKSA-N 0 0 334.401 3.038 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860069185 1329140271 /nfs/dbraw/zinc/14/02/71/1329140271.db2.gz FTRJPIZBPMLXNI-LBPRGKRZSA-N 0 0 337.372 3.111 10 5 EGBERN C[C@H]1N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1(C)C ZINC000860128573 1329152470 /nfs/dbraw/zinc/15/24/70/1329152470.db2.gz NYQOHOHVPRMPAL-GFCCVEGCSA-N 0 0 328.368 3.388 10 5 EGBERN CC1(C)CCC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)O1 ZINC000931611916 1329153384 /nfs/dbraw/zinc/15/33/84/1329153384.db2.gz VVTVLEBFZZZFNF-LLVKDONJSA-N 0 0 325.340 3.203 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000931627289 1329156474 /nfs/dbraw/zinc/15/64/74/1329156474.db2.gz YZELMZPIIOFSGF-SECBINFHSA-N 0 0 329.784 3.492 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000860163086 1329163413 /nfs/dbraw/zinc/16/34/13/1329163413.db2.gz FSMFFMAXBODGFY-LSDHHAIUSA-N 0 0 333.365 3.382 10 5 EGBERN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCC12CC2 ZINC000860177196 1329166714 /nfs/dbraw/zinc/16/67/14/1329166714.db2.gz NAURYYDJSVQJSY-CYBMUJFWSA-N 0 0 343.339 3.268 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000860178234 1329167810 /nfs/dbraw/zinc/16/78/10/1329167810.db2.gz IMKCANHROZUBIJ-CHWSQXEVSA-N 0 0 346.383 3.354 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000861848317 1329445670 /nfs/dbraw/zinc/44/56/70/1329445670.db2.gz RJFSCAWWTAZVHG-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN Cc1c(CC(=O)N=[S@](C)(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000926014480 1325389438 /nfs/dbraw/zinc/38/94/38/1325389438.db2.gz NQKQTUXYNILEJH-HSZRJFAPSA-N 0 0 338.429 3.403 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860586261 1329333681 /nfs/dbraw/zinc/33/36/81/1329333681.db2.gz ZQUQERHVCAHRJX-LOKDSWTASA-N 0 0 327.768 3.182 10 5 EGBERN O=C(NCC1(CO)CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860912071 1329369684 /nfs/dbraw/zinc/36/96/84/1329369684.db2.gz DNFMGRNCMCFUPZ-UHFFFAOYSA-N 0 0 328.368 3.031 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000860997716 1329376481 /nfs/dbraw/zinc/37/64/81/1329376481.db2.gz IIEHSOJHPZSTQM-AWEZNQCLSA-N 0 0 328.368 3.435 10 5 EGBERN O=C(N[C@@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861010951 1329377828 /nfs/dbraw/zinc/37/78/28/1329377828.db2.gz QBROBIKOYKLNGD-YVEFUNNKSA-N 0 0 328.368 3.029 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927296757 1327961973 /nfs/dbraw/zinc/96/19/73/1327961973.db2.gz AVTWAAITNYFNGI-KUHUBIRLSA-N 0 0 340.354 3.456 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927301960 1327964253 /nfs/dbraw/zinc/96/42/53/1327964253.db2.gz XNYNNGCSHMBFOM-BEFAXECRSA-N 0 0 340.354 3.077 10 5 EGBERN C[C@H](C(=O)N1C[C@@H]2C[C@]2(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927308095 1327966295 /nfs/dbraw/zinc/96/62/95/1327966295.db2.gz SXRBNMCVDNEOMT-GZRFBZBPSA-N 0 0 336.391 3.498 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2cccnc21 ZINC000927383071 1327996423 /nfs/dbraw/zinc/99/64/23/1327996423.db2.gz KYYDCEDBNBESII-AWEZNQCLSA-N 0 0 326.356 3.497 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1OC ZINC000927424795 1328020971 /nfs/dbraw/zinc/02/09/71/1328020971.db2.gz LYCSNKWMTZNFQK-OLZOCXBDSA-N 0 0 348.399 3.168 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@H]1C ZINC000861198401 1329396287 /nfs/dbraw/zinc/39/62/87/1329396287.db2.gz DCTRBPKOEVGZMT-SJKOYZFVSA-N 0 0 328.368 3.245 10 5 EGBERN Cc1nn(CCC(=O)OCC2CCC3(CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000861245283 1329401526 /nfs/dbraw/zinc/40/15/26/1329401526.db2.gz QBYWFMHFKJHAMH-UHFFFAOYSA-N 0 0 335.404 3.312 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928230697 1328245412 /nfs/dbraw/zinc/24/54/12/1328245412.db2.gz BRDOGBPNEGZHGL-CYBMUJFWSA-N 0 0 338.379 3.083 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1COC(C)(C)C ZINC000928234813 1328247251 /nfs/dbraw/zinc/24/72/51/1328247251.db2.gz NAGFJRSAVCXFOX-CYBMUJFWSA-N 0 0 336.388 3.023 10 5 EGBERN CC(C)C[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC000928246577 1328254005 /nfs/dbraw/zinc/25/40/05/1328254005.db2.gz HXLFDUVBBSCIAV-CZUORRHYSA-N 0 0 330.388 3.256 10 5 EGBERN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000928247042 1328254026 /nfs/dbraw/zinc/25/40/26/1328254026.db2.gz OHDUYRIEPBFHOA-OLZOCXBDSA-N 0 0 344.367 3.248 10 5 EGBERN CCc1cc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[nH]1 ZINC000861444508 1329418807 /nfs/dbraw/zinc/41/88/07/1329418807.db2.gz OWDWDOQRNNZGAC-LBPRGKRZSA-N 0 0 343.261 3.341 10 5 EGBERN CC(C)(/C=C\Cl)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000928933889 1328477522 /nfs/dbraw/zinc/47/75/22/1328477522.db2.gz QBLCALGSCGELII-FPLPWBNLSA-N 0 0 349.774 3.169 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H](O)C(C)C ZINC000861996625 1329454355 /nfs/dbraw/zinc/45/43/55/1329454355.db2.gz PJXRMNOMQNRAFX-SJORKVTESA-N 0 0 330.384 3.273 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)CO1 ZINC000862128067 1329460792 /nfs/dbraw/zinc/46/07/92/1329460792.db2.gz YLUOVMORSCMGBB-IUODEOHRSA-N 0 0 328.368 3.388 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CO2 ZINC000862531738 1329492865 /nfs/dbraw/zinc/49/28/65/1329492865.db2.gz JXAZPDSYSLBJPS-LBPRGKRZSA-N 0 0 344.342 3.084 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862726975 1329505481 /nfs/dbraw/zinc/50/54/81/1329505481.db2.gz OATBDPQRBRHIEK-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862846165 1329514827 /nfs/dbraw/zinc/51/48/27/1329514827.db2.gz IRBRTDIMXBFLKP-MRXNPFEDSA-N 0 0 340.807 3.309 10 5 EGBERN CCCOc1cncc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000862858251 1329515728 /nfs/dbraw/zinc/51/57/28/1329515728.db2.gz UYNSTKVDHXCOCF-UHFFFAOYSA-N 0 0 333.319 3.478 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000862898828 1329518304 /nfs/dbraw/zinc/51/83/04/1329518304.db2.gz PUFMEPGQXORJDL-SHTZXODSSA-N 0 0 349.431 3.281 10 5 EGBERN Cc1cc(Cl)c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000862999947 1329521722 /nfs/dbraw/zinc/52/17/22/1329521722.db2.gz QLKHBFSMAGMERD-RBQUTUCGSA-N 0 0 326.780 3.098 10 5 EGBERN C[C@H]1C[C@@H]1COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000863348176 1329549205 /nfs/dbraw/zinc/54/92/05/1329549205.db2.gz ZVJZFEUTHPOUNV-NKWVEPMBSA-N 0 0 331.122 3.300 10 5 EGBERN Cn1nc(CSCCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000863352610 1329549526 /nfs/dbraw/zinc/54/95/26/1329549526.db2.gz IBNCHFLHLALCQG-UHFFFAOYSA-N 0 0 327.793 3.294 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)OCC(F)(F)F)cc1Cl ZINC000863844877 1329584830 /nfs/dbraw/zinc/58/48/30/1329584830.db2.gz AMUIXNQWRAIOGI-UHFFFAOYSA-N 0 0 326.658 3.123 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000863848217 1329585307 /nfs/dbraw/zinc/58/53/07/1329585307.db2.gz BBBPDDOCMRULSJ-UHFFFAOYSA-N 0 0 334.294 3.458 10 5 EGBERN CC[C@@H](C)[C@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864999941 1329660210 /nfs/dbraw/zinc/66/02/10/1329660210.db2.gz FAXLWTRSPZWAQO-ZJUUUORDSA-N 0 0 343.221 3.451 10 5 EGBERN O=[N+]([O-])c1ccc(SC[C@@H]2CC3(CO2)CCOCC3)c(F)c1 ZINC000865363410 1329689003 /nfs/dbraw/zinc/68/90/03/1329689003.db2.gz NPBLZDNJOMKVCH-LBPRGKRZSA-N 0 0 327.377 3.412 10 5 EGBERN CCOC(=O)c1nnc(SCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865365279 1329689195 /nfs/dbraw/zinc/68/91/95/1329689195.db2.gz BNEFEZXEPBUUQA-UHFFFAOYSA-N 0 0 339.398 3.224 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1C[C@H](O)CC(F)(F)C1 ZINC000865719291 1329732444 /nfs/dbraw/zinc/73/24/44/1329732444.db2.gz RZODPDDAVOOPED-ZCFIWIBFSA-N 0 0 327.114 3.108 10 5 EGBERN Cc1cc(Cl)nc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000865759628 1329735764 /nfs/dbraw/zinc/73/57/64/1329735764.db2.gz YBAWOUQPPKCJLZ-UHFFFAOYSA-N 0 0 349.700 3.316 10 5 EGBERN COc1cc(F)cc(OC)c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787121 1329738259 /nfs/dbraw/zinc/73/82/59/1329738259.db2.gz IGRKQRKFHRAMEQ-UHFFFAOYSA-N 0 0 334.347 3.349 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCO[C@]2(CCCOC2)C1 ZINC000865793045 1329739127 /nfs/dbraw/zinc/73/91/27/1329739127.db2.gz ZCPYDVYLXUMYGC-CQSZACIVSA-N 0 0 347.198 3.287 10 5 EGBERN Cc1nn(C)c(Cl)c1CN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000865903445 1329750691 /nfs/dbraw/zinc/75/06/91/1329750691.db2.gz BUMAMWIFIFUIAD-UHFFFAOYSA-N 0 0 345.790 3.475 10 5 EGBERN COCCC1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC000865933924 1329752785 /nfs/dbraw/zinc/75/27/85/1329752785.db2.gz OIWIXAOBEVHUQA-UHFFFAOYSA-N 0 0 340.379 3.299 10 5 EGBERN CC[C@H](NC(=O)CCCn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000934209124 1329955853 /nfs/dbraw/zinc/95/58/53/1329955853.db2.gz JSKATOGDWWDMHL-KRWDZBQOSA-N 0 0 344.415 3.456 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000866039729 1330058267 /nfs/dbraw/zinc/05/82/67/1330058267.db2.gz FCNSVCFKHWKQCE-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N2CCc3cccc(NC(C)=O)c3C2)c1 ZINC000866039819 1330058304 /nfs/dbraw/zinc/05/83/04/1330058304.db2.gz GPCDEFVRSJVPRM-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(OC(F)F)c1 ZINC000866043082 1330058579 /nfs/dbraw/zinc/05/85/79/1330058579.db2.gz ATEQCCGFSTUIQR-FDEBYTSZSA-N 0 0 326.299 3.032 10 5 EGBERN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ncccc1[N+](=O)[O-] ZINC000866051916 1330059614 /nfs/dbraw/zinc/05/96/14/1330059614.db2.gz QDDGPKILKHJULQ-UHFFFAOYSA-N 0 0 348.403 3.016 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2[C@H](O)c2ccccc2)c(Cl)c1 ZINC000866054093 1330060090 /nfs/dbraw/zinc/06/00/90/1330060090.db2.gz XAFMUVFPQRSKTO-LSDHHAIUSA-N 0 0 333.775 3.346 10 5 EGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000866057678 1330060774 /nfs/dbraw/zinc/06/07/74/1330060774.db2.gz MECWZNKDWBJUCH-PKFCDNJMSA-N 0 0 344.458 3.441 10 5 EGBERN COC(=O)c1cc(C2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000866123245 1330067816 /nfs/dbraw/zinc/06/78/16/1330067816.db2.gz ZCHUYASSEYBJLC-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC2(CSC2)C1 ZINC000866136491 1330069257 /nfs/dbraw/zinc/06/92/57/1330069257.db2.gz ZPYHWLHEAMDQCV-UHFFFAOYSA-N 0 0 327.793 3.265 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CSC[C@H]3C2)c(C(F)(F)F)c1 ZINC000866199691 1330077602 /nfs/dbraw/zinc/07/76/02/1330077602.db2.gz CQGGLPUPJDLHLR-RKDXNWHRSA-N 0 0 333.335 3.198 10 5 EGBERN COCc1sccc1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000867210274 1330185234 /nfs/dbraw/zinc/18/52/34/1330185234.db2.gz PSEVPHBSBJUYBE-UHFFFAOYSA-N 0 0 332.381 3.314 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCC(F)(F)F ZINC000867275535 1330190611 /nfs/dbraw/zinc/19/06/11/1330190611.db2.gz VSOAWTVAIMQIFP-UHFFFAOYSA-N 0 0 345.277 3.297 10 5 EGBERN O=[N+]([O-])c1cc(OS(=O)(=O)C[C@@H]2CCC2(F)F)ccc1Cl ZINC000867275507 1330190619 /nfs/dbraw/zinc/19/06/19/1330190619.db2.gz VCSLHJVKNNGBQP-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000867829294 1330222639 /nfs/dbraw/zinc/22/26/39/1330222639.db2.gz YTHMJEUMRDCHNN-VIFPVBQESA-N 0 0 334.269 3.077 10 5 EGBERN CCSCC[C@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868326202 1330271319 /nfs/dbraw/zinc/27/13/19/1330271319.db2.gz SCKBTEWPPRNKBV-LBPRGKRZSA-N 0 0 325.434 3.234 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868461146 1330282341 /nfs/dbraw/zinc/28/23/41/1330282341.db2.gz PUFKUURIJMQKED-ZBFHGGJFSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868461144 1330282361 /nfs/dbraw/zinc/28/23/61/1330282361.db2.gz PUFKUURIJMQKED-GOEBONIOSA-N 0 0 349.431 3.296 10 5 EGBERN Cc1ccc(CNC(=O)NCCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000868501512 1330287230 /nfs/dbraw/zinc/28/72/30/1330287230.db2.gz LSAXHTSTEIJOMU-OAHLLOKOSA-N 0 0 335.404 3.052 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000868655464 1330307079 /nfs/dbraw/zinc/30/70/79/1330307079.db2.gz POLVZUWJZBSLQI-XGWLTEMNSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000868776877 1330340887 /nfs/dbraw/zinc/34/08/87/1330340887.db2.gz OPKAVLSWPYKZBW-AWEZNQCLSA-N 0 0 327.331 3.138 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000868795381 1330346198 /nfs/dbraw/zinc/34/61/98/1330346198.db2.gz KPWKUNKNLTYACI-NSHDSACASA-N 0 0 346.214 3.286 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000869052876 1330403364 /nfs/dbraw/zinc/40/33/64/1330403364.db2.gz FXHZJFRCPJPOKV-CQSZACIVSA-N 0 0 329.356 3.195 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000869054138 1330403908 /nfs/dbraw/zinc/40/39/08/1330403908.db2.gz HKYZPUZFMSACNO-QGZVFWFLSA-N 0 0 349.456 3.332 10 5 EGBERN C[C@]1(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000869137845 1330422989 /nfs/dbraw/zinc/42/29/89/1330422989.db2.gz PSEDJJQCUKWNDJ-UONOGXRCSA-N 0 0 332.734 3.097 10 5 EGBERN CCOc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])nc1C ZINC000869303005 1330457572 /nfs/dbraw/zinc/45/75/72/1330457572.db2.gz QCSQLUAVUFWNAC-UHFFFAOYSA-N 0 0 333.319 3.017 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000869649808 1330540522 /nfs/dbraw/zinc/54/05/22/1330540522.db2.gz JGNLGIZGNATMAY-VXGBXAGGSA-N 0 0 334.372 3.067 10 5 EGBERN COC(=O)c1ccnc(NCCCc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC001184651481 1387503140 /nfs/dbraw/zinc/50/31/40/1387503140.db2.gz ZRNMLMJWRBHQEM-UHFFFAOYSA-N 0 0 343.383 3.438 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001190045043 1367159444 /nfs/dbraw/zinc/15/94/44/1367159444.db2.gz GMYQPZHXDHNGFG-CABZTGNLSA-N 0 0 344.770 3.461 10 5 EGBERN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2NC1=O ZINC001191790539 1367588904 /nfs/dbraw/zinc/58/89/04/1367588904.db2.gz YIULTYNXWAJDGB-LLVKDONJSA-N 0 0 329.331 3.329 10 5 EGBERN C[C@@H](C(=O)Nc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1F ZINC001325233602 1387919483 /nfs/dbraw/zinc/91/94/83/1387919483.db2.gz WYLWEJOTBLNHPC-SECBINFHSA-N 0 0 332.335 3.087 10 5 EGBERN CO[C@@]1(C(F)(F)F)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197324124 1368787402 /nfs/dbraw/zinc/78/74/02/1368787402.db2.gz AOYZXNRPICQYMQ-AWEZNQCLSA-N 0 0 348.321 3.017 10 5 EGBERN CO[C@@H]1COCC[C@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186540122 1387966569 /nfs/dbraw/zinc/96/65/69/1387966569.db2.gz HYJZAJKKTIFUAE-IINYFYTJSA-N 0 0 348.321 3.385 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC001186689428 1387998156 /nfs/dbraw/zinc/99/81/56/1387998156.db2.gz VDPFMMOYPICGKH-OJWNKBRNSA-N 0 0 328.324 3.342 10 5 EGBERN COc1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC001186712840 1387999845 /nfs/dbraw/zinc/99/98/45/1387999845.db2.gz HMRFBMDIVJMJHN-UHFFFAOYSA-N 0 0 336.369 3.059 10 5 EGBERN O=C1CC[C@H](c2cccc(Nc3c4ccccc4ncc3[N+](=O)[O-])c2)N1 ZINC001186714665 1388000037 /nfs/dbraw/zinc/00/00/37/1388000037.db2.gz UOOMBHWVUFLBAO-OAHLLOKOSA-N 0 0 348.362 3.260 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1nnc(-c2ccncc2)[nH]1 ZINC001186721001 1388000512 /nfs/dbraw/zinc/00/05/12/1388000512.db2.gz RRXBSNGBUYZJJR-UHFFFAOYSA-N 0 0 330.735 3.040 10 5 EGBERN Cn1cc(CSc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cn1 ZINC001186952362 1388032571 /nfs/dbraw/zinc/03/25/71/1388032571.db2.gz LVRRQLPDNVKFPJ-UHFFFAOYSA-N 0 0 345.340 3.077 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](SC)C1 ZINC001187198895 1388069543 /nfs/dbraw/zinc/06/95/43/1388069543.db2.gz MVUKIHIAZOWMPH-XWEPSHTISA-N 0 0 330.793 3.341 10 5 EGBERN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])o1 ZINC001116184514 1370854319 /nfs/dbraw/zinc/85/43/19/1370854319.db2.gz FRJDZQDJZLIXFK-UHFFFAOYSA-N 0 0 329.337 3.241 10 5 EGBERN COC(=O)c1cc(NCCCc2nc(C)cs2)cc(C)c1[N+](=O)[O-] ZINC001116278411 1370876428 /nfs/dbraw/zinc/87/64/28/1370876428.db2.gz BJNPAQNHMIPHBH-UHFFFAOYSA-N 0 0 349.412 3.499 10 5 EGBERN CCOc1ccc(C(=O)OCc2ncoc2C(C)C)cc1[N+](=O)[O-] ZINC001116454746 1370915967 /nfs/dbraw/zinc/91/59/67/1370915967.db2.gz DYLYEDPEAYCIQW-UHFFFAOYSA-N 0 0 334.328 3.462 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3ccsc3)o2)cc2nsnc21 ZINC001117223151 1371023841 /nfs/dbraw/zinc/02/38/41/1371023841.db2.gz CEZWNWNHFMQBSN-UHFFFAOYSA-N 0 0 345.365 3.302 10 5 EGBERN O=C(NCCCC1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001117805864 1371091392 /nfs/dbraw/zinc/09/13/92/1371091392.db2.gz JKUHLQNNPSURMD-UHFFFAOYSA-N 0 0 326.780 3.185 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001118301657 1371160444 /nfs/dbraw/zinc/16/04/44/1371160444.db2.gz JZEVOMIGPMZSHA-KBPBESRZSA-N 0 0 329.759 3.071 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118562661 1371199014 /nfs/dbraw/zinc/19/90/14/1371199014.db2.gz FTEQOHDRMPUKHQ-KPZWWZAWSA-N 0 0 337.379 3.348 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1nccn3nc(C4CCC4)cc13)C2 ZINC001118990769 1371262016 /nfs/dbraw/zinc/26/20/16/1371262016.db2.gz RTRSYPVUOVGUGA-UHFFFAOYSA-N 0 0 335.367 3.425 10 5 EGBERN CNc1ccc(C(=O)NC2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001119047649 1371269447 /nfs/dbraw/zinc/26/94/47/1371269447.db2.gz SDVLKCAPWNHPAR-UHFFFAOYSA-N 0 0 349.431 3.493 10 5 EGBERN O=[N+]([O-])c1ccccc1OCCSCc1nccn1CC(F)F ZINC001119063184 1371273574 /nfs/dbraw/zinc/27/35/74/1371273574.db2.gz VVOWXWUFSCYVEB-UHFFFAOYSA-N 0 0 343.355 3.369 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC001119818680 1371408324 /nfs/dbraw/zinc/40/83/24/1371408324.db2.gz YAXZCGAVEHQVRO-MRXNPFEDSA-N 0 0 348.378 3.142 10 5 EGBERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839468 1371412243 /nfs/dbraw/zinc/41/22/43/1371412243.db2.gz ZHNJYMVGOIRNDY-NXEZZACHSA-N 0 0 343.221 3.091 10 5 EGBERN CCn1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])ccc1=O ZINC001119836782 1371412324 /nfs/dbraw/zinc/41/23/24/1371412324.db2.gz HDHQOZDRFLMJKE-UHFFFAOYSA-N 0 0 349.774 3.001 10 5 EGBERN CCCc1cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n2ncnc2n1 ZINC001187752838 1388155395 /nfs/dbraw/zinc/15/53/95/1388155395.db2.gz XHDWSOPASSXWQU-LBPRGKRZSA-N 0 0 340.387 3.201 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001121284862 1371922056 /nfs/dbraw/zinc/92/20/56/1371922056.db2.gz DGCGHHJDBCJMHA-GDBMZVCRSA-N 0 0 338.791 3.279 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001121292963 1371924906 /nfs/dbraw/zinc/92/49/06/1371924906.db2.gz WPPBJQLRGFPSBU-BBWFWOEESA-N 0 0 346.427 3.362 10 5 EGBERN C[C@H]([C@@H](OC(=O)C[C@H]1CC(C)(C)CO1)c1ccccc1F)[N+](=O)[O-] ZINC001123120392 1372384252 /nfs/dbraw/zinc/38/42/52/1372384252.db2.gz UEIRDKAQLLRXEE-BFQNTYOBSA-N 0 0 339.363 3.280 10 5 EGBERN COc1cccc(C(=O)OCC(C)(C)C2CCOCC2)c1[N+](=O)[O-] ZINC001123262744 1372409649 /nfs/dbraw/zinc/40/96/49/1372409649.db2.gz VKCZHEGWGLCWAA-UHFFFAOYSA-N 0 0 337.372 3.213 10 5 EGBERN C[C@H](Cc1ccno1)OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001123463304 1372478545 /nfs/dbraw/zinc/47/85/45/1372478545.db2.gz VGILMFSQKMYJDL-SNVBAGLBSA-N 0 0 338.747 3.343 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]1(CO)c1ccccc1 ZINC001124018153 1372658435 /nfs/dbraw/zinc/65/84/35/1372658435.db2.gz GFQXRGCBXVESCR-LJQANCHMSA-N 0 0 340.379 3.027 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(C)(C)C)CC2)c1C ZINC001124087565 1372670778 /nfs/dbraw/zinc/67/07/78/1372670778.db2.gz FBRBSGXWHJFIRK-OAHLLOKOSA-N 0 0 334.416 3.489 10 5 EGBERN O=C(Oc1ccc(Cl)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001124142790 1372679497 /nfs/dbraw/zinc/67/94/97/1372679497.db2.gz KECZWHBUWRNDNG-UHFFFAOYSA-N 0 0 339.662 3.335 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001124397207 1372698241 /nfs/dbraw/zinc/69/82/41/1372698241.db2.gz XJZZEUSXLJYFFV-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(Oc2ccccc2)CC1 ZINC001124403617 1372698939 /nfs/dbraw/zinc/69/89/39/1372698939.db2.gz NCXCDLHPVAIPQW-UHFFFAOYSA-N 0 0 328.324 3.154 10 5 EGBERN COCc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC001124715247 1372724300 /nfs/dbraw/zinc/72/43/00/1372724300.db2.gz AWQBYAVXTSLDHL-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN COc1cc(C(=O)Nc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC001124765583 1372728788 /nfs/dbraw/zinc/72/87/88/1372728788.db2.gz CLUPPHPEQDDKMC-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CC(=O)NCc1cccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001124809796 1372732498 /nfs/dbraw/zinc/73/24/98/1372732498.db2.gz OEAWBXJZOHYWSG-UHFFFAOYSA-N 0 0 341.367 3.100 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001124815853 1372732973 /nfs/dbraw/zinc/73/29/73/1372732973.db2.gz IUALGGXYAQBMMG-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOc2c(F)cccc21 ZINC001125407040 1372782929 /nfs/dbraw/zinc/78/29/29/1372782929.db2.gz PWWZJTKTKZCBES-NSHDSACASA-N 0 0 334.278 3.378 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)n1 ZINC001125790229 1372857421 /nfs/dbraw/zinc/85/74/21/1372857421.db2.gz HYARRIGLBHGCNT-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN CC(=O)c1cnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC001126341321 1372958731 /nfs/dbraw/zinc/95/87/31/1372958731.db2.gz OBAQOYKWYUIUGJ-UHFFFAOYSA-N 0 0 345.380 3.314 10 5 EGBERN CO[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C ZINC001126471517 1372968263 /nfs/dbraw/zinc/96/82/63/1372968263.db2.gz BQZBXBDNTASGDL-HNNXBMFYSA-N 0 0 343.383 3.058 10 5 EGBERN CC(C)(C(=O)Nc1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001126665951 1372993897 /nfs/dbraw/zinc/99/38/97/1372993897.db2.gz JEEDJXBPXVCDPY-UHFFFAOYSA-N 0 0 336.351 3.454 10 5 EGBERN CC(=O)c1ncc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)s1 ZINC001126953437 1373056881 /nfs/dbraw/zinc/05/68/81/1373056881.db2.gz UNPFMBURZZUXDE-UHFFFAOYSA-N 0 0 342.336 3.054 10 5 EGBERN Cc1cnc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nc1 ZINC001127131862 1373094543 /nfs/dbraw/zinc/09/45/43/1373094543.db2.gz KVTGMTCWDJILBV-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CC[C@@H](OC(=O)c1cc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC001127733375 1373170279 /nfs/dbraw/zinc/17/02/79/1373170279.db2.gz UOPBNGTVQNVUEU-CYBMUJFWSA-N 0 0 333.296 3.283 10 5 EGBERN CCc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC001127825147 1373187511 /nfs/dbraw/zinc/18/75/11/1373187511.db2.gz AJYSGCQNIVXFBT-GFCCVEGCSA-N 0 0 332.381 3.472 10 5 EGBERN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c2ccccn12 ZINC001127864164 1373191719 /nfs/dbraw/zinc/19/17/19/1373191719.db2.gz LZKLKDNKUGKYGZ-UHFFFAOYSA-N 0 0 347.334 3.351 10 5 EGBERN C[C@H](Sc1ccccc1Cl)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128320828 1373251263 /nfs/dbraw/zinc/25/12/63/1373251263.db2.gz JBLQAVONYMJFTF-QMMMGPOBSA-N 0 0 340.792 3.101 10 5 EGBERN COCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H]1CC[C@H](C)C1 ZINC001128549587 1373288825 /nfs/dbraw/zinc/28/88/25/1373288825.db2.gz HJJOIVLVTQDIRQ-WCQYABFASA-N 0 0 338.379 3.320 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC3=O)c2)c1C ZINC001128548324 1373289066 /nfs/dbraw/zinc/28/90/66/1373289066.db2.gz WNZWOVGSBGUXCF-UHFFFAOYSA-N 0 0 339.351 3.201 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCc1cscn1 ZINC001128830026 1373314752 /nfs/dbraw/zinc/31/47/52/1373314752.db2.gz RNHUOSWWMPJYHF-UHFFFAOYSA-N 0 0 326.761 3.381 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sn1 ZINC001128932198 1373324956 /nfs/dbraw/zinc/32/49/56/1373324956.db2.gz PWBKKXZSMHNKGA-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)n1 ZINC001129091204 1373344765 /nfs/dbraw/zinc/34/47/65/1373344765.db2.gz FRTNKKCGGAUZOX-ZJUUUORDSA-N 0 0 331.294 3.101 10 5 EGBERN CN(C)C(=O)Nc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001129100323 1373346179 /nfs/dbraw/zinc/34/61/79/1373346179.db2.gz PXPFFHIIFUBUJA-UHFFFAOYSA-N 0 0 346.318 3.080 10 5 EGBERN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccncc1 ZINC001129879902 1373431309 /nfs/dbraw/zinc/43/13/09/1373431309.db2.gz SUJCUHGDYRRLJK-LBPRGKRZSA-N 0 0 343.236 3.162 10 5 EGBERN Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC001130552441 1373559824 /nfs/dbraw/zinc/55/98/24/1373559824.db2.gz XHIIFHHMMPZKOJ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1nc(C)c(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)s1 ZINC001130758827 1373588498 /nfs/dbraw/zinc/58/84/98/1373588498.db2.gz PHYKAVABPHAYKF-UHFFFAOYSA-N 0 0 342.380 3.398 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1snnc1C1CC1 ZINC001130761656 1373589232 /nfs/dbraw/zinc/58/92/32/1373589232.db2.gz WGPHYOOMAFXHPL-UHFFFAOYSA-N 0 0 341.352 3.124 10 5 EGBERN O=C(Cc1c[nH]c2cnccc12)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130955055 1373614791 /nfs/dbraw/zinc/61/47/91/1373614791.db2.gz XXJKLEGMCSLVEW-UHFFFAOYSA-N 0 0 347.334 3.201 10 5 EGBERN CC(C)(C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC001130954694 1373615119 /nfs/dbraw/zinc/61/51/19/1373615119.db2.gz IMMCHWRKIXYVQA-UHFFFAOYSA-N 0 0 336.351 3.454 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cc(C(F)F)ncn1 ZINC001130956961 1373615712 /nfs/dbraw/zinc/61/57/12/1373615712.db2.gz KDJLCOGTNLVCSB-UHFFFAOYSA-N 0 0 345.265 3.123 10 5 EGBERN CCOc1cc(NC(=O)/C(C)=C/c2ccncc2)ccc1[N+](=O)[O-] ZINC001131000080 1373622366 /nfs/dbraw/zinc/62/23/66/1373622366.db2.gz GHOGTHWNEUEDRG-ZRDIBKRKSA-N 0 0 327.340 3.431 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(C2CCC2)CC1 ZINC001131449492 1373701017 /nfs/dbraw/zinc/70/10/17/1373701017.db2.gz RUNCSDIIUHPTGG-UHFFFAOYSA-N 0 0 332.400 3.449 10 5 EGBERN COC(=O)c1ccc(OCC(=O)C2C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001188408104 1388304661 /nfs/dbraw/zinc/30/46/61/1388304661.db2.gz IXKAOILZFQRZSP-UHFFFAOYSA-N 0 0 335.356 3.012 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCc1ccc(F)cn1 ZINC001132309105 1375287103 /nfs/dbraw/zinc/28/71/03/1375287103.db2.gz HCUQSRCTPDNRPV-UHFFFAOYSA-N 0 0 338.722 3.458 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C(=O)c1ccc(F)cc1 ZINC001132431923 1375377413 /nfs/dbraw/zinc/37/74/13/1375377413.db2.gz PGRGLWYKGTWYGI-UHFFFAOYSA-N 0 0 331.299 3.277 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(F)c(F)c(F)c2F)n1 ZINC001132497562 1375425424 /nfs/dbraw/zinc/42/54/24/1375425424.db2.gz HFMWEVPYBDWGSZ-UHFFFAOYSA-N 0 0 329.209 3.107 10 5 EGBERN Cc1cc(C(C)(C)C)c(C)cc1OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001132664245 1375504716 /nfs/dbraw/zinc/50/47/16/1375504716.db2.gz WCOIZDVNIXPZMA-UHFFFAOYSA-N 0 0 331.372 3.311 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCn2ncc(Cl)c21 ZINC001132681914 1375512323 /nfs/dbraw/zinc/51/23/23/1375512323.db2.gz HYZCRLODBXAUHU-UHFFFAOYSA-N 0 0 341.154 3.149 10 5 EGBERN COc1c(C(=O)N[C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001132722611 1375529237 /nfs/dbraw/zinc/52/92/37/1375529237.db2.gz WEMBAXITRSNVGU-SNVBAGLBSA-N 0 0 341.323 3.236 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC001132959145 1375673956 /nfs/dbraw/zinc/67/39/56/1375673956.db2.gz BCIIPGYABZLBRU-IHWYPQMZSA-N 0 0 331.303 3.180 10 5 EGBERN COc1cc(C(=O)Nc2cc(F)ccc2N(C)C)ccc1[N+](=O)[O-] ZINC001133183977 1375828484 /nfs/dbraw/zinc/82/84/84/1375828484.db2.gz WZUZZQJZHOCAME-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN CC(=O)c1cc(COc2c(Br)cccc2[N+](=O)[O-])on1 ZINC001188940052 1388415398 /nfs/dbraw/zinc/41/53/98/1388415398.db2.gz GONYYPDBAHMVGI-UHFFFAOYSA-N 0 0 341.117 3.127 10 5 EGBERN CCc1cc(C(=O)OC)ccc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001133740514 1376185415 /nfs/dbraw/zinc/18/54/15/1376185415.db2.gz BZNQBHFMOPEFID-UHFFFAOYSA-N 0 0 346.314 3.335 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@]12C[C@H]1CCC2 ZINC001134196397 1376412877 /nfs/dbraw/zinc/41/28/77/1376412877.db2.gz KYLIEKOOXWSLGI-BZNIZROVSA-N 0 0 338.791 3.324 10 5 EGBERN Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001134373978 1376499832 /nfs/dbraw/zinc/49/98/32/1376499832.db2.gz DCWJSCZGONRPEH-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN Cc1c(NC(=O)Cc2cccnc2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001134648927 1376640960 /nfs/dbraw/zinc/64/09/60/1376640960.db2.gz AGPGSJXNJBRDKD-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN Cc1cc(NC(=O)c2cc(C)nc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC001135146661 1376933501 /nfs/dbraw/zinc/93/35/01/1376933501.db2.gz WUZOQYVLWMRVQU-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001135215675 1376980335 /nfs/dbraw/zinc/98/03/35/1376980335.db2.gz GYVWKNDDWTYYGB-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)c2ccccc2n1C ZINC001135505111 1377121754 /nfs/dbraw/zinc/12/17/54/1377121754.db2.gz WKYQZCAIMBAMMF-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001135512756 1377123583 /nfs/dbraw/zinc/12/35/83/1377123583.db2.gz LYWJUTIBXWMFBQ-RISCZKNCSA-N 0 0 328.372 3.293 10 5 EGBERN CC[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001135957597 1377276241 /nfs/dbraw/zinc/27/62/41/1377276241.db2.gz MCQWYHKLDYLDIU-GFCCVEGCSA-N 0 0 334.763 3.107 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1C ZINC001266631355 1377352867 /nfs/dbraw/zinc/35/28/67/1377352867.db2.gz SZKFZFCWFYXLHL-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CC(C)CCOCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001136440083 1377392999 /nfs/dbraw/zinc/39/29/99/1377392999.db2.gz ZLOKZOIFVPQTHN-UHFFFAOYSA-N 0 0 334.416 3.195 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001136621796 1377410008 /nfs/dbraw/zinc/41/00/08/1377410008.db2.gz KRZSCKWSEPAYQM-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCc1ccccc1F ZINC001136638990 1377411941 /nfs/dbraw/zinc/41/19/41/1377411941.db2.gz VUIWWNFGLFGOST-UHFFFAOYSA-N 0 0 334.322 3.496 10 5 EGBERN O=C(Nc1ncc(Cl)s1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136772935 1377421615 /nfs/dbraw/zinc/42/16/15/1377421615.db2.gz OPYJPVVVLNVKDI-UHFFFAOYSA-N 0 0 349.759 3.347 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCc3c2cccc3O)c1F ZINC001136796822 1377423639 /nfs/dbraw/zinc/42/36/39/1377423639.db2.gz WOWJQXDVMNSLBV-NSHDSACASA-N 0 0 348.305 3.304 10 5 EGBERN Cc1cnc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC001136827321 1377427203 /nfs/dbraw/zinc/42/72/03/1377427203.db2.gz VILYPSBMZKCMKN-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001137252216 1377504095 /nfs/dbraw/zinc/50/40/95/1377504095.db2.gz JUPKXTFWKYWEHB-MRXNPFEDSA-N 0 0 326.352 3.061 10 5 EGBERN O=C(NCc1ccc(O)c(F)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001137441833 1377549000 /nfs/dbraw/zinc/54/90/00/1377549000.db2.gz NPROFSBEECKXFV-UHFFFAOYSA-N 0 0 342.685 3.162 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC=C(F)C1 ZINC001137849966 1377629772 /nfs/dbraw/zinc/62/97/72/1377629772.db2.gz NHNZWIVVQCSTGU-UHFFFAOYSA-N 0 0 328.727 3.103 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1snc(Cl)c1Cl ZINC001139678238 1377932420 /nfs/dbraw/zinc/93/24/20/1377932420.db2.gz XVGDRIJRWBNGIB-UHFFFAOYSA-N 0 0 346.195 3.331 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC001141322027 1378301710 /nfs/dbraw/zinc/30/17/10/1378301710.db2.gz YZCPROOYRFXTOS-MRXNPFEDSA-N 0 0 348.374 3.074 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc2ccccc2s1 ZINC001141402633 1378318102 /nfs/dbraw/zinc/31/81/02/1378318102.db2.gz VIVSKIOJGRDUBI-UHFFFAOYSA-N 0 0 327.365 3.322 10 5 EGBERN CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1 ZINC001141472599 1378331225 /nfs/dbraw/zinc/33/12/25/1378331225.db2.gz WZIDBXUBWGFVNX-UHFFFAOYSA-N 0 0 329.143 3.291 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(C)cn1 ZINC001141504377 1378335457 /nfs/dbraw/zinc/33/54/57/1378335457.db2.gz XFEIKNVEYVRMEE-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001141707937 1378364528 /nfs/dbraw/zinc/36/45/28/1378364528.db2.gz OWUIMVKAWIWFCJ-NOZJJQNGSA-N 0 0 328.372 3.239 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001141707792 1378364650 /nfs/dbraw/zinc/36/46/50/1378364650.db2.gz JSAXTSHOEQQRMR-UHFFFAOYSA-N 0 0 328.250 3.206 10 5 EGBERN Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)c(N)c([N+](=O)[O-])c1 ZINC001142011395 1378404074 /nfs/dbraw/zinc/40/40/74/1378404074.db2.gz JQVPQZSQDAEVIN-UHFFFAOYSA-N 0 0 325.246 3.155 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnc3ccccn23)c1F ZINC001146344810 1378821689 /nfs/dbraw/zinc/82/16/89/1378821689.db2.gz MRHFFNKVWKSIKD-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN CC(C)(C)[C@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001146678900 1378895533 /nfs/dbraw/zinc/89/55/33/1378895533.db2.gz SZRPQBUNQBJLLH-VIFPVBQESA-N 0 0 328.800 3.260 10 5 EGBERN O=C(c1cccc(O)c1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001147170777 1378982469 /nfs/dbraw/zinc/98/24/69/1378982469.db2.gz HYXSZPYBVTVRRU-INIZCTEOSA-N 0 0 348.355 3.327 10 5 EGBERN CCOC(=O)c1cc(NC2CC3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC001327694056 1388584263 /nfs/dbraw/zinc/58/42/63/1388584263.db2.gz ZVQPHVKVUSAKIS-UHFFFAOYSA-N 0 0 326.299 3.371 10 5 EGBERN Cc1ccc2oc(CNC(=O)CNc3ccccc3[N+](=O)[O-])cc2c1 ZINC001147486096 1379031485 /nfs/dbraw/zinc/03/14/85/1379031485.db2.gz SIUVLFTXCUCECC-UHFFFAOYSA-N 0 0 339.351 3.378 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001147595858 1379047581 /nfs/dbraw/zinc/04/75/81/1379047581.db2.gz KPGLSUNOBAMHNI-UHFFFAOYSA-N 0 0 340.807 3.207 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001152974221 1380001009 /nfs/dbraw/zinc/00/10/09/1380001009.db2.gz PWQMKJXSXRVCTG-HNNXBMFYSA-N 0 0 326.352 3.295 10 5 EGBERN Cc1cnc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC001153133376 1380026858 /nfs/dbraw/zinc/02/68/58/1380026858.db2.gz ZDJFYMJLDUNOOJ-UHFFFAOYSA-N 0 0 331.397 3.093 10 5 EGBERN O=C(NCc1cc(C(F)F)on1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001155547837 1380466870 /nfs/dbraw/zinc/46/68/70/1380466870.db2.gz IRQXHPYXNZLXBW-UHFFFAOYSA-N 0 0 331.662 3.104 10 5 EGBERN O=C(N[C@H](c1ccccn1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001156354156 1380563343 /nfs/dbraw/zinc/56/33/43/1380563343.db2.gz VFKMGRJDQSDCJN-KRWDZBQOSA-N 0 0 336.351 3.352 10 5 EGBERN CSc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)cc1[N+](=O)[O-] ZINC001156781455 1380633794 /nfs/dbraw/zinc/63/37/94/1380633794.db2.gz IXRFTAGWCZZMPZ-UHFFFAOYSA-N 0 0 342.380 3.456 10 5 EGBERN Cc1cc(C(=O)NC(C)(C)CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001157188482 1380801605 /nfs/dbraw/zinc/80/16/05/1380801605.db2.gz YAMNCAREDCPQKP-UHFFFAOYSA-N 0 0 336.388 3.143 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CO[C@H]1c1ccccc1 ZINC001158296515 1381188330 /nfs/dbraw/zinc/18/83/30/1381188330.db2.gz NTSMEZOLDGENTP-PBHICJAKSA-N 0 0 326.352 3.082 10 5 EGBERN Cc1ccc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)nn1 ZINC001287435410 1381201067 /nfs/dbraw/zinc/20/10/67/1381201067.db2.gz GIJBXMYCHLHSOZ-GFCCVEGCSA-N 0 0 341.245 3.154 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(F)cn1 ZINC001287864831 1381385577 /nfs/dbraw/zinc/38/55/77/1381385577.db2.gz DBWSCTZFLPPEKG-UHFFFAOYSA-N 0 0 338.722 3.458 10 5 EGBERN COCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC ZINC001288123353 1381571508 /nfs/dbraw/zinc/57/15/08/1381571508.db2.gz XBWFEAXAXOPGEG-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN CSc1cccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001328371106 1388731599 /nfs/dbraw/zinc/73/15/99/1388731599.db2.gz BKVDILKAADSDEE-IEBDPFPHSA-N 0 0 342.367 3.480 10 5 EGBERN Cc1ccc(C(=O)Nc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC001288166923 1381614865 /nfs/dbraw/zinc/61/48/65/1381614865.db2.gz ZXTXPCNUYKMZRV-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2sccc2c1 ZINC001288215647 1381731295 /nfs/dbraw/zinc/73/12/95/1381731295.db2.gz CLVZBBLBMCBKDS-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN Cc1ccc(C(=O)NC[C@]2(C)OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001288304039 1381772010 /nfs/dbraw/zinc/77/20/10/1381772010.db2.gz CUGPDQQTGAIURI-IBGZPJMESA-N 0 0 340.379 3.121 10 5 EGBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CCCC2)C1 ZINC001159541665 1381822415 /nfs/dbraw/zinc/82/24/15/1381822415.db2.gz HHGJWCFHJAGUBV-RDJZCZTQSA-N 0 0 332.400 3.057 10 5 EGBERN COc1ccc([S@](C)(=O)=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001289027159 1381973667 /nfs/dbraw/zinc/97/36/67/1381973667.db2.gz LHLIVDFVEWFUMZ-DEOSSOPVSA-N 0 0 348.380 3.209 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c1F ZINC001289363944 1381994967 /nfs/dbraw/zinc/99/49/67/1381994967.db2.gz DSMBFXWCYVSSAO-CQSZACIVSA-N 0 0 348.305 3.435 10 5 EGBERN Cc1cc(F)cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001289369986 1381995755 /nfs/dbraw/zinc/99/57/55/1381995755.db2.gz CSQNEEHGDOXTSQ-ZQUVKOLYSA-N 0 0 330.359 3.327 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2occc(=O)c2c1 ZINC001289866505 1382014945 /nfs/dbraw/zinc/01/49/45/1382014945.db2.gz KRNFZYIMSFXJOG-UHFFFAOYSA-N 0 0 342.282 3.022 10 5 EGBERN O=C([C@@H](O)C1CCCCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585216 1382098618 /nfs/dbraw/zinc/09/86/18/1382098618.db2.gz DXSDOVZJVYMHOY-KRWDZBQOSA-N 0 0 332.400 3.205 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)n1 ZINC001291847981 1382159065 /nfs/dbraw/zinc/15/90/65/1382159065.db2.gz VOINREHGSGGAGG-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN O=C(Nc1ccc[nH]c1=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001292376305 1382186529 /nfs/dbraw/zinc/18/65/29/1382186529.db2.gz VGQWMVXLMVNNRV-UHFFFAOYSA-N 0 0 346.101 3.394 10 5 EGBERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293541450 1382297776 /nfs/dbraw/zinc/29/77/76/1382297776.db2.gz OFBAXDIKDAKFSO-UHFFFAOYSA-N 0 0 341.411 3.137 10 5 EGBERN CCCC(O)(CCC)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001293939069 1382396806 /nfs/dbraw/zinc/39/68/06/1382396806.db2.gz WDCNOEABFUSVPD-UHFFFAOYSA-N 0 0 348.443 3.464 10 5 EGBERN C[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC001294222074 1382428789 /nfs/dbraw/zinc/42/87/89/1382428789.db2.gz UOZLGZMHKSDAPG-UWVGGRQHSA-N 0 0 328.821 3.143 10 5 EGBERN CC(=O)C(C)(C)CCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001161573153 1382443196 /nfs/dbraw/zinc/44/31/96/1382443196.db2.gz KTZRARJESCTZLR-UHFFFAOYSA-N 0 0 344.371 3.319 10 5 EGBERN CCCn1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001294610996 1382479370 /nfs/dbraw/zinc/47/93/70/1382479370.db2.gz QZLNSQXRKOBDNQ-UHFFFAOYSA-N 0 0 329.404 3.153 10 5 EGBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001161694326 1382482465 /nfs/dbraw/zinc/48/24/65/1382482465.db2.gz OBKLIFMKSQSUNU-SNVBAGLBSA-N 0 0 346.314 3.263 10 5 EGBERN C[C@@H](Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])c1ccccn1 ZINC001161941380 1382563263 /nfs/dbraw/zinc/56/32/63/1382563263.db2.gz IFMJELGNFKWBOC-SNVBAGLBSA-N 0 0 339.311 3.041 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1ccc(F)cc1 ZINC001161988943 1382591055 /nfs/dbraw/zinc/59/10/55/1382591055.db2.gz ADQBETITSXLOOH-UHFFFAOYSA-N 0 0 332.331 3.484 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC001162037692 1382611281 /nfs/dbraw/zinc/61/12/81/1382611281.db2.gz IJQBKEQUJLMIMC-GFCCVEGCSA-N 0 0 336.779 3.030 10 5 EGBERN Cc1cc(Sc2nnc(-c3ccncc3)n2C)c([N+](=O)[O-])s1 ZINC001162048962 1382614067 /nfs/dbraw/zinc/61/40/67/1382614067.db2.gz GVBSBEBQTWEWPF-UHFFFAOYSA-N 0 0 333.398 3.306 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3cc(=O)ccc-3c2)cc1[N+](=O)[O-] ZINC001295475873 1382652269 /nfs/dbraw/zinc/65/22/69/1382652269.db2.gz YAQPSVQGZYTCML-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001162236193 1382663227 /nfs/dbraw/zinc/66/32/27/1382663227.db2.gz OIMZWOJUZHILDP-UHFFFAOYSA-N 0 0 327.384 3.237 10 5 EGBERN CC[C@@H](C)NC(=O)c1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001162266337 1382718304 /nfs/dbraw/zinc/71/83/04/1382718304.db2.gz ASNGTZBCOXBXNM-SNVBAGLBSA-N 0 0 348.790 3.337 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NCCCc1cccc(C(F)(F)F)c1 ZINC001162273872 1382719124 /nfs/dbraw/zinc/71/91/24/1382719124.db2.gz UMALTWYMYLITCZ-UHFFFAOYSA-N 0 0 328.294 3.392 10 5 EGBERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162327233 1382730671 /nfs/dbraw/zinc/73/06/71/1382730671.db2.gz RGTPLEKABWJSMD-BZPMIXESSA-N 0 0 334.420 3.209 10 5 EGBERN CCc1cc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)[nH]n1 ZINC001162483181 1382770221 /nfs/dbraw/zinc/77/02/21/1382770221.db2.gz UWFWVHVHOUHBCP-UHFFFAOYSA-N 0 0 332.751 3.089 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328691713 1388810409 /nfs/dbraw/zinc/81/04/09/1388810409.db2.gz UQEGXSACPXRQAN-GJMOJQLCSA-N 0 0 332.253 3.493 10 5 EGBERN CO[C@]1(C)C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1(C)C ZINC001162680273 1382831348 /nfs/dbraw/zinc/83/13/48/1382831348.db2.gz GXTDPPWSHNOTEH-CXAGYDPISA-N 0 0 337.420 3.417 10 5 EGBERN COc1ccc(O)c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001295831752 1382840147 /nfs/dbraw/zinc/84/01/47/1382840147.db2.gz BGRIWKJWNYJJNV-KBPBESRZSA-N 0 0 328.324 3.051 10 5 EGBERN O=C1C[C@H](c2cccc(Nc3ccc4cnccc4c3[N+](=O)[O-])c2)CN1 ZINC001162868582 1382899748 /nfs/dbraw/zinc/89/97/48/1382899748.db2.gz WAXXVGLJKNQNFV-AWEZNQCLSA-N 0 0 348.362 3.490 10 5 EGBERN Cc1cc(Nc2c([N+](=O)[O-])cnn2C)cnc1N1CCCC[C@@H]1C ZINC001162915553 1382915525 /nfs/dbraw/zinc/91/55/25/1382915525.db2.gz HZNHGRZIANKMIA-LBPRGKRZSA-N 0 0 330.392 3.154 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-n2cc(C)cn2)cc1 ZINC001163062061 1382958888 /nfs/dbraw/zinc/95/88/88/1382958888.db2.gz MUIUIURJTCEMKQ-UHFFFAOYSA-N 0 0 327.344 3.406 10 5 EGBERN COC[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001163083545 1382962274 /nfs/dbraw/zinc/96/22/74/1382962274.db2.gz ACICXDHLCQQCEF-DTWKUNHWSA-N 0 0 335.187 3.142 10 5 EGBERN CSc1nnc(CNc2ncc([N+](=O)[O-])c3ccccc32)s1 ZINC001163099582 1382964787 /nfs/dbraw/zinc/96/47/87/1382964787.db2.gz KJJQVXFWDIJWGD-UHFFFAOYSA-N 0 0 333.398 3.329 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001296349672 1382972894 /nfs/dbraw/zinc/97/28/94/1382972894.db2.gz IUVFTIUQSCBESA-GJZGRUSLSA-N 0 0 342.351 3.441 10 5 EGBERN Cc1csc(NC(=O)CSc2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001163145172 1382976812 /nfs/dbraw/zinc/97/68/12/1382976812.db2.gz KWAUUCNTBTZXLA-UHFFFAOYSA-N 0 0 344.805 3.139 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NC[C@H]1COc3ccccc31)CCCC2 ZINC001163432824 1383051078 /nfs/dbraw/zinc/05/10/78/1383051078.db2.gz UCPOAAFCFRBPES-ZDUSSCGKSA-N 0 0 325.368 3.457 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC001163436508 1383051586 /nfs/dbraw/zinc/05/15/86/1383051586.db2.gz BJJBNZZZICYNPH-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1ccnc2ccccc12 ZINC001163695700 1383107472 /nfs/dbraw/zinc/10/74/72/1383107472.db2.gz FPVTWMRFVDLRDG-UHFFFAOYSA-N 0 0 328.759 3.268 10 5 EGBERN CCCCc1cc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC001163726404 1383114767 /nfs/dbraw/zinc/11/47/67/1383114767.db2.gz OIVSAXXCKXMFHB-UHFFFAOYSA-N 0 0 336.779 3.495 10 5 EGBERN C[C@@H]1CCCCN1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163967045 1383140945 /nfs/dbraw/zinc/14/09/45/1383140945.db2.gz IJGYSMNEACZKCV-LLVKDONJSA-N 0 0 346.412 3.238 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001164078686 1383153554 /nfs/dbraw/zinc/15/35/54/1383153554.db2.gz YYZWGXIPSZGATC-SCXUMTSISA-N 0 0 334.372 3.008 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)c2c1 ZINC001164130918 1383159152 /nfs/dbraw/zinc/15/91/52/1383159152.db2.gz FURXBFXPPDAZSX-WVWOOGAGSA-N 0 0 327.384 3.278 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2nc3c([nH]2)CCCC3)c(C(F)(F)F)c1 ZINC001164211898 1383166287 /nfs/dbraw/zinc/16/62/87/1383166287.db2.gz GNQHPMFAOZBHSF-UHFFFAOYSA-N 0 0 341.293 3.223 10 5 EGBERN COc1nscc1CN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001164225143 1383168287 /nfs/dbraw/zinc/16/82/87/1383168287.db2.gz CTMDAVJIYRJULH-UHFFFAOYSA-N 0 0 343.792 3.358 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCC(=O)Cc1ccc(Cl)cc1 ZINC001165621884 1383315530 /nfs/dbraw/zinc/31/55/30/1383315530.db2.gz UCUNEKOWKDOWMM-UHFFFAOYSA-N 0 0 335.743 3.447 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnc2c(F)cccc2c1 ZINC001165758921 1383341099 /nfs/dbraw/zinc/34/10/99/1383341099.db2.gz KOVDEJBCYZBDRA-UHFFFAOYSA-N 0 0 340.314 3.333 10 5 EGBERN COC(=O)c1ccc(OC[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001165960149 1383371121 /nfs/dbraw/zinc/37/11/21/1383371121.db2.gz MLVCLCJBQWOYAP-NSHDSACASA-N 0 0 337.372 3.354 10 5 EGBERN CCC/C=C/[C@H](O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298142997 1383379348 /nfs/dbraw/zinc/37/93/48/1383379348.db2.gz URAYRVWSJTUAAT-FWLFOBHPSA-N 0 0 332.400 3.018 10 5 EGBERN CO[C@H](Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(F)cc1 ZINC001166241022 1383406069 /nfs/dbraw/zinc/40/60/69/1383406069.db2.gz ZXJSCIRUJHVVPD-QGZVFWFLSA-N 0 0 342.326 3.437 10 5 EGBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298757510 1383426523 /nfs/dbraw/zinc/42/65/23/1383426523.db2.gz HNTWYMDIOCEPTC-BDAKNGLRSA-N 0 0 328.800 3.258 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001299215976 1383488134 /nfs/dbraw/zinc/48/81/34/1383488134.db2.gz KMBKFAROMAEMHR-UHFFFAOYSA-N 0 0 336.731 3.353 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001299921976 1383635507 /nfs/dbraw/zinc/63/55/07/1383635507.db2.gz NJONBJBXSXUHJK-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1Cc2ccc(O)cc2C1 ZINC001301073550 1383693809 /nfs/dbraw/zinc/69/38/09/1383693809.db2.gz JRZWDYUEGFVXIA-UHFFFAOYSA-N 0 0 332.743 3.039 10 5 EGBERN CSc1cccc(C(=O)N2Cc3ccc(O)cc3C2)c1[N+](=O)[O-] ZINC001301074274 1383693993 /nfs/dbraw/zinc/69/39/93/1383693993.db2.gz XJEMWTJPEMZHEL-UHFFFAOYSA-N 0 0 330.365 3.178 10 5 EGBERN Cc1cncc(/C=C/C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001301918674 1383736338 /nfs/dbraw/zinc/73/63/38/1383736338.db2.gz ZRDFKNIAMWKFGU-NSCUHMNNSA-N 0 0 349.749 3.420 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OC ZINC001306770453 1383903550 /nfs/dbraw/zinc/90/35/50/1383903550.db2.gz PFCBXWOMYRCLAM-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1Sc1nnnn1C1CC1 ZINC001306920659 1383920633 /nfs/dbraw/zinc/92/06/33/1383920633.db2.gz ZETVGFGAZJPTDE-UHFFFAOYSA-N 0 0 331.279 3.086 10 5 EGBERN Cc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001306922422 1383921098 /nfs/dbraw/zinc/92/10/98/1383921098.db2.gz NFLZZVFEWDJXRI-QWRGUYRKSA-N 0 0 327.450 3.264 10 5 EGBERN COc1ccc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])cc1F ZINC001306925279 1383921225 /nfs/dbraw/zinc/92/12/25/1383921225.db2.gz NYCDKKVHENHCMF-UHFFFAOYSA-N 0 0 345.305 3.464 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001306927478 1383921899 /nfs/dbraw/zinc/92/18/99/1383921899.db2.gz FZRKXHLLAKKMEF-UHFFFAOYSA-N 0 0 342.355 3.413 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCc1nccs1 ZINC001306948528 1383924972 /nfs/dbraw/zinc/92/49/72/1383924972.db2.gz PVZSWGUUDDPHFH-UHFFFAOYSA-N 0 0 334.788 3.329 10 5 EGBERN Cc1ccnc(-c2ccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)n1 ZINC001306964916 1383927074 /nfs/dbraw/zinc/92/70/74/1383927074.db2.gz GHJRPZDQBCAMHR-UHFFFAOYSA-N 0 0 349.350 3.203 10 5 EGBERN Cc1cc(N(C)Cc2cnn(-c3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC001306974396 1383928305 /nfs/dbraw/zinc/92/83/05/1383928305.db2.gz SXIFMFMYDFOMMQ-UHFFFAOYSA-N 0 0 341.346 3.259 10 5 EGBERN CCc1cc(NC[C@@H]2CCCS2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307000845 1383932382 /nfs/dbraw/zinc/93/23/82/1383932382.db2.gz JSUZRWLLNXVMIQ-HNNXBMFYSA-N 0 0 344.440 3.344 10 5 EGBERN Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1c([N+](=O)[O-])cnn1C)CC3 ZINC001307080154 1383937857 /nfs/dbraw/zinc/93/78/57/1383937857.db2.gz IVOOIYYYEJYZFH-LLVKDONJSA-N 0 0 325.372 3.087 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC001307149528 1383946459 /nfs/dbraw/zinc/94/64/59/1383946459.db2.gz LZLMVUCJDDHKLZ-GXTWGEPZSA-N 0 0 347.415 3.429 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001307208176 1383956706 /nfs/dbraw/zinc/95/67/06/1383956706.db2.gz GWMLMXZEHQNKNI-HOCLYGCPSA-N 0 0 344.440 3.135 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(C)CCCCO1 ZINC001307221555 1383959716 /nfs/dbraw/zinc/95/97/16/1383959716.db2.gz CPKQPVXCICAIKS-OAHLLOKOSA-N 0 0 342.779 3.406 10 5 EGBERN Cc1noc(CSc2n[nH]c(C=Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC001307287357 1383966776 /nfs/dbraw/zinc/96/67/76/1383966776.db2.gz KCZVBXKERWKNAW-FPLPWBNLSA-N 0 0 343.368 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=O ZINC001307320031 1383970766 /nfs/dbraw/zinc/97/07/66/1383970766.db2.gz MLAOHAGAXWFXKA-ZDUSSCGKSA-N 0 0 343.166 3.105 10 5 EGBERN O=C(CSc1ccc2n[nH]cc2c1)Nc1ccccc1[N+](=O)[O-] ZINC001307357563 1383976752 /nfs/dbraw/zinc/97/67/52/1383976752.db2.gz ZBNQAQUXLHHSGC-UHFFFAOYSA-N 0 0 328.353 3.202 10 5 EGBERN O=Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F ZINC001307366106 1383977456 /nfs/dbraw/zinc/97/74/56/1383977456.db2.gz PWTKTHNGIAAFHL-UHFFFAOYSA-N 0 0 343.270 3.175 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(Cc1cc3ccccc3n(C)c1=O)CC2 ZINC001168784224 1384003286 /nfs/dbraw/zinc/00/32/86/1384003286.db2.gz AQKCSBUMIFMDBW-UHFFFAOYSA-N 0 0 349.390 3.318 10 5 EGBERN CCON(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001307843540 1384041723 /nfs/dbraw/zinc/04/17/23/1384041723.db2.gz CJSCQSZQSBJPFD-UHFFFAOYSA-N 0 0 343.383 3.377 10 5 EGBERN CC(=O)c1ccc(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001308035325 1384078267 /nfs/dbraw/zinc/07/82/67/1384078267.db2.gz PCKIOXHCFDYQPJ-UHFFFAOYSA-N 0 0 341.367 3.181 10 5 EGBERN COc1cncc(/C=C/CCN2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001169026068 1384093503 /nfs/dbraw/zinc/09/35/03/1384093503.db2.gz ZUCUXDZLWZNBER-DUXPYHPUSA-N 0 0 325.368 3.464 10 5 EGBERN COc1ccc(CN2CCCC[C@H]2c2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC001308109056 1384093859 /nfs/dbraw/zinc/09/38/59/1384093859.db2.gz LRCXFHAIWDWUNQ-HNNXBMFYSA-N 0 0 330.388 3.362 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@H](OC)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313121 1384338989 /nfs/dbraw/zinc/33/89/89/1384338989.db2.gz MBOUGNIWNNAMBL-DAXOMENPSA-N 0 0 335.404 3.255 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001312362747 1384343097 /nfs/dbraw/zinc/34/30/97/1384343097.db2.gz PVLDHCJEZVFMKK-BBRMVZONSA-N 0 0 347.415 3.229 10 5 EGBERN Cc1cc(F)ccc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001316593761 1384463056 /nfs/dbraw/zinc/46/30/56/1384463056.db2.gz AXKVMRHDPATDAI-UHFFFAOYSA-N 0 0 345.374 3.217 10 5 EGBERN CCSc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001176021624 1385462554 /nfs/dbraw/zinc/46/25/54/1385462554.db2.gz YRZUIEVHLIXJCV-UHFFFAOYSA-N 0 0 331.397 3.219 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(F)c1 ZINC001318640924 1385810459 /nfs/dbraw/zinc/81/04/59/1385810459.db2.gz KQXRXMJIMJBHQE-UHFFFAOYSA-N 0 0 331.347 3.138 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C(F)F)on2)c1 ZINC001178011017 1386107892 /nfs/dbraw/zinc/10/78/92/1386107892.db2.gz OGFQPOPIYSEDGB-UHFFFAOYSA-N 0 0 343.311 3.172 10 5 EGBERN CN(CCN(C)C(=O)C(C)(C)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001320028823 1386462013 /nfs/dbraw/zinc/46/20/13/1386462013.db2.gz DECDINGPWKEXRS-UHFFFAOYSA-N 0 0 347.459 3.311 10 5 EGBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001179916124 1386628203 /nfs/dbraw/zinc/62/82/03/1386628203.db2.gz WOLCFJTUSKFYSD-QAPCUYQASA-N 0 0 349.346 3.013 10 5 EGBERN CCCC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001322256245 1387122851 /nfs/dbraw/zinc/12/28/51/1387122851.db2.gz WICBNPAFMQVDIL-UHFFFAOYSA-N 0 0 342.399 3.433 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329208616 1389023168 /nfs/dbraw/zinc/02/31/68/1389023168.db2.gz GUKXZKKPQIPMKI-HNNXBMFYSA-N 0 0 329.400 3.243 10 5 EGBERN O=C(c1c(Cl)n[nH]c1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329307341 1389056979 /nfs/dbraw/zinc/05/69/79/1389056979.db2.gz NUSHOQFGUVHWNU-UHFFFAOYSA-N 0 0 346.774 3.047 10 5 EGBERN CC(C)(C)OC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001329994573 1389281228 /nfs/dbraw/zinc/28/12/28/1389281228.db2.gz XDKDBIYYZDCTND-UHFFFAOYSA-N 0 0 334.416 3.380 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001330320863 1389387658 /nfs/dbraw/zinc/38/76/58/1389387658.db2.gz XKRUIOISVKKPBE-ATGSNQNLSA-N 0 0 348.353 3.051 10 5 EGBERN CCCCCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]n1 ZINC001330660764 1389487353 /nfs/dbraw/zinc/48/73/53/1389487353.db2.gz ZTRKNYUOEWWVQO-UHFFFAOYSA-N 0 0 342.399 3.249 10 5 EGBERN COc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001331555391 1389797644 /nfs/dbraw/zinc/79/76/44/1389797644.db2.gz NMJIFZIFQBWGBN-UHFFFAOYSA-N 0 0 342.277 3.067 10 5 EGBERN CC(C)(NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC001331771314 1389870324 /nfs/dbraw/zinc/87/03/24/1389870324.db2.gz UIIRPEOLYWEOTM-QAPCUYQASA-N 0 0 347.415 3.231 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC001332153101 1390009675 /nfs/dbraw/zinc/00/96/75/1390009675.db2.gz IIXBBGUKKTUTGP-CQSZACIVSA-N 0 0 340.383 3.051 10 5 EGBERN O=C(CC1CC(F)(F)C1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001332226583 1390057165 /nfs/dbraw/zinc/05/71/65/1390057165.db2.gz VMAGRBXBMWJHBR-UHFFFAOYSA-N 0 0 336.697 3.439 10 5 EGBERN C/C=C(\C)C(=O)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001332693712 1390156803 /nfs/dbraw/zinc/15/68/03/1390156803.db2.gz VRULQNLKCHSIGH-AWNIVKPZSA-N 0 0 339.461 3.291 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001335093465 1390640741 /nfs/dbraw/zinc/64/07/41/1390640741.db2.gz UAZYCXQTAJWFOM-PCGAWMICSA-N 0 0 339.342 3.389 10 5 EGBERN O=C(OC[C@@]12CCC[C@H]1OCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001344316315 1390781437 /nfs/dbraw/zinc/78/14/37/1390781437.db2.gz XUZREAJUBVFJJA-PBHICJAKSA-N 0 0 330.340 3.192 10 5 EGBERN CCOc1ccc(C(=O)OC2CCCC(=O)CCC2)cc1[N+](=O)[O-] ZINC001344415929 1390789878 /nfs/dbraw/zinc/78/98/78/1390789878.db2.gz WTUUQLGWFPOYCT-UHFFFAOYSA-N 0 0 335.356 3.442 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCOCC12CCCC2 ZINC001344683642 1390808422 /nfs/dbraw/zinc/80/84/22/1390808422.db2.gz DZHZFBHNTOPEHT-HNNXBMFYSA-N 0 0 333.388 3.374 10 5 EGBERN COc1ccc(NC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])c1 ZINC001345094876 1390836764 /nfs/dbraw/zinc/83/67/64/1390836764.db2.gz AUJKLQYYXXDOFZ-KGLIPLIRSA-N 0 0 345.758 3.430 10 5 EGBERN COc1ccc(NC(=O)N2CC(F)(F)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001345273936 1390852778 /nfs/dbraw/zinc/85/27/78/1390852778.db2.gz GUUDJPCNTNAYCZ-VIFPVBQESA-N 0 0 329.303 3.255 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001345744700 1390882610 /nfs/dbraw/zinc/88/26/10/1390882610.db2.gz CIFJERNNCJMBIB-HOTGVXAUSA-N 0 0 349.387 3.073 10 5 EGBERN COC(=O)c1cc(-c2nnc(Cc3ccsc3)o2)cc([N+](=O)[O-])c1 ZINC001345913302 1390893230 /nfs/dbraw/zinc/89/32/30/1390893230.db2.gz ICZJAHMZWPORSE-UHFFFAOYSA-N 0 0 345.336 3.084 10 5 EGBERN COc1ccc(NC(=O)N2CC(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001346249049 1390918081 /nfs/dbraw/zinc/91/80/81/1390918081.db2.gz PIEWNZUUOOLROS-UHFFFAOYSA-N 0 0 333.266 3.020 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cnn2c1CCCC2 ZINC001346546098 1390953700 /nfs/dbraw/zinc/95/37/00/1390953700.db2.gz PTYKIIJXHRVQGQ-UHFFFAOYSA-N 0 0 347.396 3.207 10 5 EGBERN C[C@H](Cc1ccno1)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001346690043 1390970363 /nfs/dbraw/zinc/97/03/63/1390970363.db2.gz CJWBYVGAOANMSQ-MRVPVSSYSA-N 0 0 344.245 3.390 10 5 EGBERN CCOP(=O)(CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F)OCC ZINC001347807657 1391127907 /nfs/dbraw/zinc/12/79/07/1391127907.db2.gz XNLGOEYZZPGNCN-UHFFFAOYSA-N 0 0 348.267 3.030 10 5 EGBERN O=C(Oc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001348395144 1391213806 /nfs/dbraw/zinc/21/38/06/1391213806.db2.gz VNUXCFBDJYRCLY-ZIAGYGMSSA-N 0 0 327.292 3.033 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001348477027 1391226149 /nfs/dbraw/zinc/22/61/49/1391226149.db2.gz FDACWKHHZFONKW-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001348764451 1391263526 /nfs/dbraw/zinc/26/35/26/1391263526.db2.gz ILSUZYJDEHFIBT-DLBZAZTESA-N 0 0 344.342 3.072 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1COC[C@H]1c1ccccc1 ZINC001349537101 1391338797 /nfs/dbraw/zinc/33/87/97/1391338797.db2.gz UYSFILVBSMZACA-NWDGAFQWSA-N 0 0 348.305 3.242 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H]1C ZINC001349636048 1391347262 /nfs/dbraw/zinc/34/72/62/1391347262.db2.gz FUDHHOTUDDZHHK-ALYFQZSWSA-N 0 0 345.399 3.029 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1 ZINC001349742562 1391361317 /nfs/dbraw/zinc/36/13/17/1391361317.db2.gz WSSGBXDKDSAJSV-UHFFFAOYSA-N 0 0 332.381 3.126 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001349776289 1391365592 /nfs/dbraw/zinc/36/55/92/1391365592.db2.gz GSAKNSSTFPRYRJ-HNNXBMFYSA-N 0 0 343.383 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(-c2ccccn2)n1 ZINC001349887406 1391381296 /nfs/dbraw/zinc/38/12/96/1391381296.db2.gz XWNITMHAVQIDRQ-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnccc1C(F)(F)F ZINC001349897522 1391382719 /nfs/dbraw/zinc/38/27/19/1391382719.db2.gz FBJGHWANIOXQNA-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001349942071 1391388718 /nfs/dbraw/zinc/38/87/18/1391388718.db2.gz KZTQDRNEXSFNLE-JTQLQIEISA-N 0 0 328.324 3.179 10 5 EGBERN COc1cc(C(=O)Nc2cc(F)ccc2F)c([N+](=O)[O-])cc1F ZINC001350043732 1391401642 /nfs/dbraw/zinc/40/16/42/1391401642.db2.gz KQXGYHJCAYPWJI-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN O=C(NCC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001350246708 1391436462 /nfs/dbraw/zinc/43/64/62/1391436462.db2.gz YGRGUAVZFULITK-LBPRGKRZSA-N 0 0 329.356 3.296 10 5 EGBERN Cc1c(CC(=O)OC[C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC001350346234 1391450921 /nfs/dbraw/zinc/45/09/21/1391450921.db2.gz ZTEVZFYRNSHXPJ-CQSZACIVSA-N 0 0 333.384 3.338 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001350397220 1391458593 /nfs/dbraw/zinc/45/85/93/1391458593.db2.gz OMZDKNPOWMVOEH-MRXNPFEDSA-N 0 0 343.314 3.174 10 5 EGBERN Cc1cc(C)cc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1 ZINC001350628886 1391493914 /nfs/dbraw/zinc/49/39/14/1391493914.db2.gz SNTLWJOBJCXVIZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001351003887 1391579096 /nfs/dbraw/zinc/57/90/96/1391579096.db2.gz AYCWMFLSJXFZPQ-SJLPKXTDSA-N 0 0 343.383 3.107 10 5 EGBERN Cc1cc(-c2nc(C(=O)Oc3cccc([N+](=O)[O-])c3C)co2)ccn1 ZINC001351048103 1391587800 /nfs/dbraw/zinc/58/78/00/1391587800.db2.gz OQOROEBAQAGULP-UHFFFAOYSA-N 0 0 339.307 3.481 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001351271689 1391619737 /nfs/dbraw/zinc/61/97/37/1391619737.db2.gz YTZXCQAUCJAMKY-BWVDBABLSA-N 0 0 332.253 3.037 10 5 EGBERN Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001351358125 1391631153 /nfs/dbraw/zinc/63/11/53/1391631153.db2.gz OOVBFNZKADQBEG-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)o1 ZINC001351595397 1391655431 /nfs/dbraw/zinc/65/54/31/1391655431.db2.gz WEAPMWDFJNRMSE-UHFFFAOYSA-N 0 0 345.229 3.486 10 5 EGBERN Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001352289959 1391780936 /nfs/dbraw/zinc/78/09/36/1391780936.db2.gz RETYEMIVGQRIGI-UHFFFAOYSA-N 0 0 346.314 3.146 10 5 EGBERN CC(=O)Nc1cccc(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001352646230 1391827418 /nfs/dbraw/zinc/82/74/18/1391827418.db2.gz BRFNLQSYDURTKI-UHFFFAOYSA-N 0 0 341.367 3.351 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001352763668 1391844517 /nfs/dbraw/zinc/84/45/17/1391844517.db2.gz MLBRUOLPKDTOKT-KRWDZBQOSA-N 0 0 340.335 3.140 10 5 EGBERN Cc1ccc(C2=NO[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001352763671 1391844898 /nfs/dbraw/zinc/84/48/98/1391844898.db2.gz MLBRUOLPKDTOKT-QGZVFWFLSA-N 0 0 340.335 3.140 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001353379888 1391999073 /nfs/dbraw/zinc/99/90/73/1391999073.db2.gz MIVFMGMQOPUBCZ-OAHLLOKOSA-N 0 0 343.383 3.155 10 5 EGBERN CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cccc(F)c2)cc1 ZINC001353502993 1392025460 /nfs/dbraw/zinc/02/54/60/1392025460.db2.gz FSDOQXUEMKLILT-KZNAEPCWSA-N 0 0 342.370 3.259 10 5 EGBERN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC001353709745 1392073142 /nfs/dbraw/zinc/07/31/42/1392073142.db2.gz LMDUDEKAAKRBEU-UHFFFAOYSA-N 0 0 328.227 3.050 10 5 EGBERN CN(C(=O)c1cc(-c2ccccc2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC001353919544 1392108298 /nfs/dbraw/zinc/10/82/98/1392108298.db2.gz AMLICQBCUCUXQZ-UHFFFAOYSA-N 0 0 336.351 3.272 10 5 EGBERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1c(F)cccc1[N+](=O)[O-] ZINC001354096676 1392120270 /nfs/dbraw/zinc/12/02/70/1392120270.db2.gz LQFPEZVYDFYGPJ-UHFFFAOYSA-N 0 0 345.208 3.106 10 5 EGBERN COc1cc(C)cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1C ZINC001354129179 1392121961 /nfs/dbraw/zinc/12/19/61/1392121961.db2.gz IQBXTCJRZBARIP-UHFFFAOYSA-N 0 0 326.352 3.423 10 5 EGBERN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)OCCc2ccccc21 ZINC001354576310 1392153625 /nfs/dbraw/zinc/15/36/25/1392153625.db2.gz JKLLUNLCWKVPJN-QGZVFWFLSA-N 0 0 348.305 3.300 10 5 EGBERN C[C@@H](NC(=O)c1ccc2c(c1)COC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC001354623119 1392157015 /nfs/dbraw/zinc/15/70/15/1392157015.db2.gz BAPPEZNPXJTHIP-SNVBAGLBSA-N 0 0 341.323 3.148 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ncoc1CCC(F)(F)F ZINC001355002856 1392184570 /nfs/dbraw/zinc/18/45/70/1392184570.db2.gz BQLYBFGEVCUDQJ-UHFFFAOYSA-N 0 0 347.224 3.469 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC001355016298 1392185970 /nfs/dbraw/zinc/18/59/70/1392185970.db2.gz RMDWBZZQADKLFD-QGZVFWFLSA-N 0 0 334.372 3.291 10 5 EGBERN CC(C(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1)=C1CCCC1 ZINC001494540212 1396462398 /nfs/dbraw/zinc/46/23/98/1396462398.db2.gz CEMHVBYOFVULGT-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN Cc1ccc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001690992745 1404910561 /nfs/dbraw/zinc/91/05/61/1404910561.db2.gz XJCOTLMUQAZIEX-UHFFFAOYSA-N 0 0 341.411 3.073 10 5 EGBERN CCCn1c(CC2CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001695352979 1406092328 /nfs/dbraw/zinc/09/23/28/1406092328.db2.gz ICKFXDIXRGXBQI-UHFFFAOYSA-N 0 0 341.415 3.112 10 5 EGBERN CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCC(C)C ZINC001709044205 1417416887 /nfs/dbraw/zinc/41/68/87/1417416887.db2.gz OCXKVXXKUGZKID-UHFFFAOYSA-N 0 0 345.447 3.474 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001709745021 1417450278 /nfs/dbraw/zinc/45/02/78/1417450278.db2.gz CUQKAPRKKFNNRH-STQMWFEESA-N 0 0 329.404 3.356 10 5 EGBERN CCCCC1(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001713917326 1418711698 /nfs/dbraw/zinc/71/16/98/1418711698.db2.gz DXGDJXIKFGCQBG-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN O=C(C=C1CCCCC1)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001714962018 1419701240 /nfs/dbraw/zinc/70/12/40/1419701240.db2.gz PDMVXVXPQRLBEW-UHFFFAOYSA-N 0 0 343.427 3.033 10 5 EGBERN CCC(C)(CC)C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001733263194 1429419509 /nfs/dbraw/zinc/41/95/09/1429419509.db2.gz DTEPIIUSZIGVBB-UHFFFAOYSA-N 0 0 339.461 3.221 10 5 EGBERN CC(C)CCCCC(=O)N(C)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001716750022 1420902008 /nfs/dbraw/zinc/90/20/08/1420902008.db2.gz QWIRDWWGVCTQOL-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001762757770 1441378111 /nfs/dbraw/zinc/37/81/11/1441378111.db2.gz CSCRHPLJVHLBLA-WFASDCNBSA-N 0 0 341.415 3.356 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001762757768 1441378125 /nfs/dbraw/zinc/37/81/25/1441378125.db2.gz CSCRHPLJVHLBLA-SWLSCSKDSA-N 0 0 341.415 3.356 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000368193521 168323435 /nfs/dbraw/zinc/32/34/35/168323435.db2.gz MGYOGTDRNFDTEB-PBHICJAKSA-N 0 0 344.342 3.384 10 5 EGBERN O=C1OCCN1Cc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000052486974 214130068 /nfs/dbraw/zinc/13/00/68/214130068.db2.gz KYXXSDVQZFTEHU-UHFFFAOYSA-N 0 0 331.303 3.430 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccn2)CC1 ZINC000368504953 168365734 /nfs/dbraw/zinc/36/57/34/168365734.db2.gz TVWGKXONKZBPKZ-UHFFFAOYSA-N 0 0 340.383 3.273 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153913731 529457177 /nfs/dbraw/zinc/45/71/77/529457177.db2.gz KLNHQWMNONVEOD-WIFINTHYSA-N 0 0 331.825 3.135 10 5 EGBERN CCc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000162188466 529598923 /nfs/dbraw/zinc/59/89/23/529598923.db2.gz IZVMOKHVUOFLPG-OAHLLOKOSA-N 0 0 346.408 3.432 10 5 EGBERN CCc1nc(C2(NC(=O)Nc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000178358935 529730939 /nfs/dbraw/zinc/73/09/39/529730939.db2.gz OIGZAFNGTLBVSS-UHFFFAOYSA-N 0 0 345.359 3.131 10 5 EGBERN COc1ccc2nc(C(=O)NCc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000046149690 213787196 /nfs/dbraw/zinc/78/71/96/213787196.db2.gz VDHMTLXYZSAPKO-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN C[C@H](CCc1ccccc1)NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003448988 210042282 /nfs/dbraw/zinc/04/22/82/210042282.db2.gz DOFPKSHHGWAECY-CYBMUJFWSA-N 0 0 346.358 3.250 10 5 EGBERN Cn1c(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000344604375 282569569 /nfs/dbraw/zinc/56/95/69/282569569.db2.gz MOGWLLQCNPQCJN-SECBINFHSA-N 0 0 339.804 3.456 10 5 EGBERN CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CCS(=O)CC1 ZINC000090104195 282599119 /nfs/dbraw/zinc/59/91/19/282599119.db2.gz BUNWCZPIVIMGMX-UHFFFAOYSA-N 0 0 345.424 3.004 10 5 EGBERN COC[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000103383268 219295072 /nfs/dbraw/zinc/29/50/72/219295072.db2.gz OIYXZHQAWUIAJF-VIFPVBQESA-N 0 0 335.385 3.248 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(c3nnc(C4CC4)[nH]3)CC2)cs1 ZINC000069010798 215352643 /nfs/dbraw/zinc/35/26/43/215352643.db2.gz REHIKVKWBSVGRJ-UHFFFAOYSA-N 0 0 333.417 3.031 10 5 EGBERN CC(=O)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000104410397 219384674 /nfs/dbraw/zinc/38/46/74/219384674.db2.gz JKPOBPAMEIOOTP-UHFFFAOYSA-N 0 0 327.178 3.163 10 5 EGBERN CCc1ccccc1Nc1ncnc(NCCCOC)c1[N+](=O)[O-] ZINC000040587044 213355160 /nfs/dbraw/zinc/35/51/60/213355160.db2.gz XHVLYSKKERTCSN-UHFFFAOYSA-N 0 0 331.376 3.139 10 5 EGBERN Cc1cc(C)cc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040583073 213353975 /nfs/dbraw/zinc/35/39/75/213353975.db2.gz GFXCIAXJKAWAJP-UHFFFAOYSA-N 0 0 330.392 3.460 10 5 EGBERN COc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c(OC)c1 ZINC000040581627 213354031 /nfs/dbraw/zinc/35/40/31/213354031.db2.gz RJUXIRSIDUMUJU-UHFFFAOYSA-N 0 0 347.375 3.356 10 5 EGBERN CC(=O)Nc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581854 213354045 /nfs/dbraw/zinc/35/40/45/213354045.db2.gz STPDVVSZJXYUHK-UHFFFAOYSA-N 0 0 344.375 3.297 10 5 EGBERN CCOc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1C ZINC000069384694 215395678 /nfs/dbraw/zinc/39/56/78/215395678.db2.gz JIJYJSGFPBOMEP-UHFFFAOYSA-N 0 0 346.387 3.144 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC000127536917 222853275 /nfs/dbraw/zinc/85/32/75/222853275.db2.gz ZRKXNJZFMPVCPF-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN O=C(Nc1ccn(Cc2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000040150001 213273002 /nfs/dbraw/zinc/27/30/02/213273002.db2.gz AMYQFJQNODHVHS-UHFFFAOYSA-N 0 0 337.339 3.484 10 5 EGBERN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014522 283055915 /nfs/dbraw/zinc/05/59/15/283055915.db2.gz ZAVXCAOAXQEOFK-DOMZBBRYSA-N 0 0 349.774 3.016 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1cc(-c2cnn(C)c2)no1 ZINC000183984277 235278001 /nfs/dbraw/zinc/27/80/01/235278001.db2.gz KQJKJAOHDBCZCO-UHFFFAOYSA-N 0 0 327.344 3.212 10 5 EGBERN COc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000069708615 215547515 /nfs/dbraw/zinc/54/75/15/215547515.db2.gz JVYJHMXCXZEJTG-HOTGVXAUSA-N 0 0 326.352 3.023 10 5 EGBERN O=C(Nc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000069740886 215560080 /nfs/dbraw/zinc/56/00/80/215560080.db2.gz UMUZYNDZWUROFE-UHFFFAOYSA-N 0 0 329.209 3.400 10 5 EGBERN Nc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071698411 215796792 /nfs/dbraw/zinc/79/67/92/215796792.db2.gz NCTLXWHKCXIBGG-UHFFFAOYSA-N 0 0 336.145 3.192 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189860359 237328930 /nfs/dbraw/zinc/32/89/30/237328930.db2.gz RBHDAAAHGJCABY-ZANVPECISA-N 0 0 327.768 3.137 10 5 EGBERN COc1ccc([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000068893 209399157 /nfs/dbraw/zinc/39/91/57/209399157.db2.gz YDLIJYZWXOHASR-QGZVFWFLSA-N 0 0 344.392 3.491 10 5 EGBERN Nc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000023386930 212374593 /nfs/dbraw/zinc/37/45/93/212374593.db2.gz IGYLOUYPMNSYMG-ZJUUUORDSA-N 0 0 331.294 3.028 10 5 EGBERN CNC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000358867814 241888767 /nfs/dbraw/zinc/88/87/67/241888767.db2.gz CFPTXGLGMKLZLS-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN Cc1cc(N[C@@H](CO)CC(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232630647 242273425 /nfs/dbraw/zinc/27/34/25/242273425.db2.gz BKSZLRFEQJMLDN-SNVBAGLBSA-N 0 0 331.210 3.485 10 5 EGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000021090704 212206581 /nfs/dbraw/zinc/20/65/81/212206581.db2.gz GHDADORXPMSELM-AWEZNQCLSA-N 0 0 335.703 3.080 10 5 EGBERN CC(=O)c1cc(N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000376409394 168902119 /nfs/dbraw/zinc/90/21/19/168902119.db2.gz TUBLNPSEAJSZPI-OAHLLOKOSA-N 0 0 325.368 3.261 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(c3ncc[nH]3)CC2)cc1OC(F)F ZINC000266441141 248302882 /nfs/dbraw/zinc/30/28/82/248302882.db2.gz WEZRAIAIBQVGKD-UHFFFAOYSA-N 0 0 338.314 3.303 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCSc2ccc(Cl)cc21 ZINC000372809537 284669284 /nfs/dbraw/zinc/66/92/84/284669284.db2.gz YYDVQQMOUGQLOS-UHFFFAOYSA-N 0 0 335.772 3.396 10 5 EGBERN O=[N+]([O-])c1c(N2CCO[C@H](C3CCCCC3)C2)nc2sccn21 ZINC000408199724 169165012 /nfs/dbraw/zinc/16/50/12/169165012.db2.gz WBNMFJHJELNBLK-LBPRGKRZSA-N 0 0 336.417 3.090 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000005944470 210565207 /nfs/dbraw/zinc/56/52/07/210565207.db2.gz ILMKPNZNEYHDGO-UHFFFAOYSA-N 0 0 325.372 3.174 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152642386 223994535 /nfs/dbraw/zinc/99/45/35/223994535.db2.gz CVGBUHCDUQOPRQ-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCc2ccccn2)c1 ZINC000178620316 533008524 /nfs/dbraw/zinc/00/85/24/533008524.db2.gz WWBPEAPXENKMPZ-UHFFFAOYSA-N 0 0 331.397 3.074 10 5 EGBERN CCN(C[C@H](C)OC)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000362291736 285074329 /nfs/dbraw/zinc/07/43/29/285074329.db2.gz WPUWYYIDIIDCFG-VIFPVBQESA-N 0 0 334.294 3.111 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3cccc(Br)c3C2)cn1 ZINC000345125426 285132022 /nfs/dbraw/zinc/13/20/22/285132022.db2.gz MPGIFPQZLSEPML-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2COc3ccccc32)c(Br)c1 ZINC000093434137 285182048 /nfs/dbraw/zinc/18/20/48/285182048.db2.gz DSIVFNSJWYOHMV-LLVKDONJSA-N 0 0 336.145 3.298 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000337808318 285187992 /nfs/dbraw/zinc/18/79/92/285187992.db2.gz LGSXIZSISCBWHZ-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN CC(=O)c1cnc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000118684692 221170541 /nfs/dbraw/zinc/17/05/41/221170541.db2.gz SWJNHJYQZXUOJJ-UHFFFAOYSA-N 0 0 348.384 3.085 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c(Cl)c1 ZINC000040153777 132399126 /nfs/dbraw/zinc/39/91/26/132399126.db2.gz USBAFQVEDYJLJQ-LLVKDONJSA-N 0 0 333.779 3.119 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000344432691 296505803 /nfs/dbraw/zinc/50/58/03/296505803.db2.gz MANJGRRNFMBNQH-UHFFFAOYSA-N 0 0 329.200 3.311 10 5 EGBERN Cc1oc(C2CC2)nc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000341177961 141131948 /nfs/dbraw/zinc/13/19/48/141131948.db2.gz AOKDTDIMPNKLTB-SECBINFHSA-N 0 0 327.340 3.360 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc2cccnc21 ZINC000341223422 141141167 /nfs/dbraw/zinc/14/11/67/141141167.db2.gz VFMORNSZESQZAC-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN COc1ncccc1-c1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000356263084 141331558 /nfs/dbraw/zinc/33/15/58/141331558.db2.gz RLQQRKGGUWXUMD-VIFPVBQESA-N 0 0 344.302 3.339 10 5 EGBERN C[C@H](CC(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356832324 141350551 /nfs/dbraw/zinc/35/05/51/141350551.db2.gz RHSHNVXBAGUZOD-OLZOCXBDSA-N 0 0 334.420 3.075 10 5 EGBERN Cc1sc(C(=O)NCCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000170953003 144000039 /nfs/dbraw/zinc/00/00/39/144000039.db2.gz DKFDJPVYKNBICT-UHFFFAOYSA-N 0 0 342.323 3.052 10 5 EGBERN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000172098175 144015707 /nfs/dbraw/zinc/01/57/07/144015707.db2.gz GXQFXPNSWWDDSU-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(-c2ccncc2)s1 ZINC000172719632 144026527 /nfs/dbraw/zinc/02/65/27/144026527.db2.gz PLOJGAFLVYBFPK-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C(F)F)cc2)cc1 ZINC000183857982 144080961 /nfs/dbraw/zinc/08/09/61/144080961.db2.gz PGOOYTBHLNEDED-UHFFFAOYSA-N 0 0 342.323 3.011 10 5 EGBERN CCOC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000187590044 144161688 /nfs/dbraw/zinc/16/16/88/144161688.db2.gz UJAVAHDLPZQOJE-OAHLLOKOSA-N 0 0 342.417 3.062 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000351604908 144286762 /nfs/dbraw/zinc/28/67/62/144286762.db2.gz FVSYRDJILQFGBS-NEPJUHHUSA-N 0 0 337.351 3.014 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000364095651 144392317 /nfs/dbraw/zinc/39/23/17/144392317.db2.gz BRBBMQLJFNQWKO-HNNXBMFYSA-N 0 0 344.371 3.352 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000374473942 144544613 /nfs/dbraw/zinc/54/46/13/144544613.db2.gz BEKXTLIHQPLYMH-SFHVURJKSA-N 0 0 343.358 3.196 10 5 EGBERN COC1CCC(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342225072 292154204 /nfs/dbraw/zinc/15/42/04/292154204.db2.gz ASEJMFBVTIMXDZ-UHFFFAOYSA-N 0 0 334.416 3.194 10 5 EGBERN CCc1nc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000341069810 155139530 /nfs/dbraw/zinc/13/95/30/155139530.db2.gz PHXFDIQWDINOSY-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341078652 155145056 /nfs/dbraw/zinc/14/50/56/155145056.db2.gz WNHTUXDFGYJGON-GHMZBOCLSA-N 0 0 346.387 3.364 10 5 EGBERN CCOc1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000341338670 155240318 /nfs/dbraw/zinc/24/03/18/155240318.db2.gz DIGGKHTXAFQVFU-UHFFFAOYSA-N 0 0 336.294 3.453 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000341466934 155309393 /nfs/dbraw/zinc/30/93/93/155309393.db2.gz CPEMNERXCLTYFN-UHFFFAOYSA-N 0 0 346.333 3.041 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000116045300 152039370 /nfs/dbraw/zinc/03/93/70/152039370.db2.gz JBOFFCOWFQOIQR-CYBMUJFWSA-N 0 0 345.311 3.382 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccco1 ZINC000116212086 152049244 /nfs/dbraw/zinc/04/92/44/152049244.db2.gz KVQAUMRHMQXDLP-CYBMUJFWSA-N 0 0 326.312 3.041 10 5 EGBERN Cc1c(CC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119493499 152209216 /nfs/dbraw/zinc/20/92/16/152209216.db2.gz BYRIDOVBQGKZAF-CYBMUJFWSA-N 0 0 342.395 3.241 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000120541544 152283592 /nfs/dbraw/zinc/28/35/92/152283592.db2.gz GVOCSGYJMCRLHQ-CYBMUJFWSA-N 0 0 332.381 3.323 10 5 EGBERN O=C(Cc1cccc(O)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153849818 152559835 /nfs/dbraw/zinc/55/98/35/152559835.db2.gz DVHNIPDQTMAPFZ-UHFFFAOYSA-N 0 0 326.352 3.034 10 5 EGBERN CO[C@H](C)c1nc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000175525734 152876610 /nfs/dbraw/zinc/87/66/10/152876610.db2.gz QPVPFUBLMJTQCX-LLVKDONJSA-N 0 0 349.412 3.339 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc(CC(C)C)nc1C ZINC000188355222 153012688 /nfs/dbraw/zinc/01/26/88/153012688.db2.gz CHTIVFMLJJTMGS-UHFFFAOYSA-N 0 0 333.344 3.351 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000189534371 153076612 /nfs/dbraw/zinc/07/66/12/153076612.db2.gz VSGOHGOLWIASIY-JTQLQIEISA-N 0 0 347.396 3.211 10 5 EGBERN Cc1c(CN2CCn3c(C(C)C)nnc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000189577616 153080440 /nfs/dbraw/zinc/08/04/40/153080440.db2.gz MHKJUJBJOFQHRW-CYBMUJFWSA-N 0 0 329.404 3.195 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189744313 153094317 /nfs/dbraw/zinc/09/43/17/153094317.db2.gz ZSYPLJKOECZELN-ZDUSSCGKSA-N 0 0 341.415 3.079 10 5 EGBERN O=C(NCCCOc1ccc([N+](=O)[O-])c2ncccc12)C1CCCC1 ZINC000190131170 153119020 /nfs/dbraw/zinc/11/90/20/153119020.db2.gz RJHOGUBCUPFUNS-UHFFFAOYSA-N 0 0 343.383 3.218 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000190611909 153152062 /nfs/dbraw/zinc/15/20/62/153152062.db2.gz WROVMVLOQKMDIF-HNNXBMFYSA-N 0 0 326.352 3.465 10 5 EGBERN Cc1cnc(COC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000191363765 153190372 /nfs/dbraw/zinc/19/03/72/153190372.db2.gz ZSSKGBIDVQGIBM-GTNSWQLSSA-N 0 0 342.351 3.215 10 5 EGBERN COc1cc(N2CCC(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000193569651 153294697 /nfs/dbraw/zinc/29/46/97/153294697.db2.gz SUZKMYONZJTRCF-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN COc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000325644033 154179716 /nfs/dbraw/zinc/17/97/16/154179716.db2.gz XZMBDBPRHSIYNM-UHFFFAOYSA-N 0 0 328.328 3.100 10 5 EGBERN COC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000339730057 154945651 /nfs/dbraw/zinc/94/56/51/154945651.db2.gz ZQWBTABNYVGJPB-QGZVFWFLSA-N 0 0 339.351 3.194 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000341023239 155125433 /nfs/dbraw/zinc/12/54/33/155125433.db2.gz HILOSXZBBCHENR-CYBMUJFWSA-N 0 0 345.399 3.359 10 5 EGBERN Cc1ccn(-c2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000341037111 155127321 /nfs/dbraw/zinc/12/73/21/155127321.db2.gz HEBZUSCFZJWTAW-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000341798766 155484793 /nfs/dbraw/zinc/48/47/93/155484793.db2.gz CZPIMFZTJMIQFG-NEPJUHHUSA-N 0 0 329.356 3.422 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CC1 ZINC000342942132 155591708 /nfs/dbraw/zinc/59/17/08/155591708.db2.gz BFWRRQPERQNTBH-UHFFFAOYSA-N 0 0 345.321 3.246 10 5 EGBERN COc1ccc(F)cc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343056579 155628440 /nfs/dbraw/zinc/62/84/40/155628440.db2.gz VDVSUJAWXXTGJR-UHFFFAOYSA-N 0 0 334.332 3.359 10 5 EGBERN Cc1csc(-c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)n1 ZINC000345408672 156091277 /nfs/dbraw/zinc/09/12/77/156091277.db2.gz QHXQMNBPQAUFSM-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(N)c1F ZINC000356170619 156600178 /nfs/dbraw/zinc/60/01/78/156600178.db2.gz OWSPWIYLNUGSKZ-UHFFFAOYSA-N 0 0 336.392 3.288 10 5 EGBERN Cc1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000372536676 157351823 /nfs/dbraw/zinc/35/18/23/157351823.db2.gz MVFWIJSGHLSKJK-UHFFFAOYSA-N 0 0 339.395 3.256 10 5 EGBERN CSc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000125720785 162286544 /nfs/dbraw/zinc/28/65/44/162286544.db2.gz GLTGCDIAKITGBB-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN CCOc1ccc(C(=O)NCc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000127274818 162327333 /nfs/dbraw/zinc/32/73/33/162327333.db2.gz PIEMPXRHTXWPEE-UHFFFAOYSA-N 0 0 347.396 3.257 10 5 EGBERN Cc1ncsc1-c1nc(CNc2ccc(F)c([N+](=O)[O-])c2)no1 ZINC000132747341 162438473 /nfs/dbraw/zinc/43/84/73/162438473.db2.gz UXGPROHUPKSIJV-UHFFFAOYSA-N 0 0 335.320 3.161 10 5 EGBERN CSc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1[N+](=O)[O-] ZINC000336878771 163085429 /nfs/dbraw/zinc/08/54/29/163085429.db2.gz INFLLYDORRCKJE-UHFFFAOYSA-N 0 0 346.408 3.494 10 5 EGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1C ZINC000337041059 163112776 /nfs/dbraw/zinc/11/27/76/163112776.db2.gz KJKUQSSXZFJYFN-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338104370 163196343 /nfs/dbraw/zinc/19/63/43/163196343.db2.gz XWYNYOYFABVHBG-MRXNPFEDSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(OC(F)F)nc2)cc1[N+](=O)[O-] ZINC000338511056 163253486 /nfs/dbraw/zinc/25/34/86/163253486.db2.gz VDKSONRXXNMTJB-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccoc1C ZINC000338539810 163265578 /nfs/dbraw/zinc/26/55/78/163265578.db2.gz JMMXQDAYBLNORL-UHFFFAOYSA-N 0 0 341.371 3.411 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)on1 ZINC000338869472 163368429 /nfs/dbraw/zinc/36/84/29/163368429.db2.gz IEQUPMHXCBYKEQ-HNNXBMFYSA-N 0 0 340.339 3.350 10 5 EGBERN COC(=O)CCCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000338908797 163382213 /nfs/dbraw/zinc/38/22/13/163382213.db2.gz VQECBYMNDQOYOZ-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000342694424 163944123 /nfs/dbraw/zinc/94/41/23/163944123.db2.gz VKGHIIKNVHXJRI-SECBINFHSA-N 0 0 329.303 3.075 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccccc1 ZINC000344174363 164120485 /nfs/dbraw/zinc/12/04/85/164120485.db2.gz FVXUFMDVAGPDQX-GOEBONIOSA-N 0 0 330.771 3.463 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344180182 164121281 /nfs/dbraw/zinc/12/12/81/164121281.db2.gz PGPYCGGPNLMOBP-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nc(-c3cccnc3)no2)cc1 ZINC000345715917 164250923 /nfs/dbraw/zinc/25/09/23/164250923.db2.gz WEKOARYBBHAENE-UHFFFAOYSA-N 0 0 325.328 3.085 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)c3ccc(C)cc3)no2)n1 ZINC000346395877 164380277 /nfs/dbraw/zinc/38/02/77/164380277.db2.gz CLHDMZUAPSPIPY-LLVKDONJSA-N 0 0 327.344 3.321 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000351903512 165143952 /nfs/dbraw/zinc/14/39/52/165143952.db2.gz XUKMKKVPGQHLOT-HUUCEWRRSA-N 0 0 346.408 3.046 10 5 EGBERN COc1cc(CSCc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000352035054 165202312 /nfs/dbraw/zinc/20/23/12/165202312.db2.gz LKQZIGSNLDXKMB-UHFFFAOYSA-N 0 0 332.381 3.136 10 5 EGBERN COc1cc(CSCc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC000352040881 165205447 /nfs/dbraw/zinc/20/54/47/165205447.db2.gz SNZCAKURTGBRDP-UHFFFAOYSA-N 0 0 332.381 3.136 10 5 EGBERN COc1cc(Cn2cnc3c(Cl)cccc3c2=O)ccc1[N+](=O)[O-] ZINC000352223045 165293322 /nfs/dbraw/zinc/29/33/22/165293322.db2.gz PXOFDFYNTPVKIS-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000352417836 165390481 /nfs/dbraw/zinc/39/04/81/165390481.db2.gz VFIVNUOLBFDISL-GOSISDBHSA-N 0 0 346.358 3.316 10 5 EGBERN COc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)ccc1SC ZINC000353001210 165582468 /nfs/dbraw/zinc/58/24/68/165582468.db2.gz QPUTVCRZGGAQMT-UHFFFAOYSA-N 0 0 345.424 3.279 10 5 EGBERN Cc1c(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355185913 166126620 /nfs/dbraw/zinc/12/66/20/166126620.db2.gz VJHBIHIVKVMZHK-XIKOKIGWSA-N 0 0 334.416 3.210 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(CCF)CC1 ZINC000355293329 166156558 /nfs/dbraw/zinc/15/65/58/166156558.db2.gz OSFPWVNQIJFRFJ-UHFFFAOYSA-N 0 0 331.141 3.436 10 5 EGBERN Cc1c(Cl)cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC000355486604 166218717 /nfs/dbraw/zinc/21/87/17/166218717.db2.gz QOROZELKWOCQTB-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000355491101 166219638 /nfs/dbraw/zinc/21/96/38/166219638.db2.gz LRAQNFQMJKPZCH-PBHICJAKSA-N 0 0 342.399 3.250 10 5 EGBERN CCNC(=O)N(C)c1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000355547221 166239705 /nfs/dbraw/zinc/23/97/05/166239705.db2.gz LZYMCFDROVQMFB-UHFFFAOYSA-N 0 0 328.372 3.373 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)n1 ZINC000355593515 166254334 /nfs/dbraw/zinc/25/43/34/166254334.db2.gz MSLWUVWULLVYJD-UHFFFAOYSA-N 0 0 340.126 3.352 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2c(F)cccc2F)no1 ZINC000355827152 166321648 /nfs/dbraw/zinc/32/16/48/166321648.db2.gz XAMWDSBQQSTIMT-UHFFFAOYSA-N 0 0 332.266 3.217 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]1C ZINC000356753915 166500466 /nfs/dbraw/zinc/50/04/66/166500466.db2.gz ZLRGCJLHLRIGAN-JVXZTZIISA-N 0 0 327.178 3.194 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc2c1OCO2 ZINC000357567907 166712819 /nfs/dbraw/zinc/71/28/19/166712819.db2.gz RLPCHGZXQLUYHM-UHFFFAOYSA-N 0 0 348.742 3.215 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358694172 166936877 /nfs/dbraw/zinc/93/68/77/166936877.db2.gz FLHKTRZQXZFXSL-IAGOWNOFSA-N 0 0 326.352 3.023 10 5 EGBERN Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1C1CCC1 ZINC000358934236 167011083 /nfs/dbraw/zinc/01/10/83/167011083.db2.gz LXNXCSDPEUIHBV-UHFFFAOYSA-N 0 0 345.384 3.424 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359064356 167055505 /nfs/dbraw/zinc/05/55/05/167055505.db2.gz FXDBLFNUNSYFLI-UWVGGRQHSA-N 0 0 328.315 3.457 10 5 EGBERN CCSCC[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359075562 167059842 /nfs/dbraw/zinc/05/98/42/167059842.db2.gz HMOODAUOACRODP-VIFPVBQESA-N 0 0 348.371 3.458 10 5 EGBERN Cc1nc2ccccc2n1CCCCCn1cccc([N+](=O)[O-])c1=O ZINC000359181579 167089480 /nfs/dbraw/zinc/08/94/80/167089480.db2.gz ZEWYYEVELZBKIR-UHFFFAOYSA-N 0 0 340.383 3.285 10 5 EGBERN Cc1c(CNC(=O)N2CCC3(CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000359538077 167184709 /nfs/dbraw/zinc/18/47/09/167184709.db2.gz BECITYKXXCJKCC-CQSZACIVSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000359748716 167222130 /nfs/dbraw/zinc/22/21/30/167222130.db2.gz NSNGXZCHGWXUAH-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000360396056 167319882 /nfs/dbraw/zinc/31/98/82/167319882.db2.gz QPFYWWGETCMQJN-VIFPVBQESA-N 0 0 336.373 3.251 10 5 EGBERN COC(=O)CC1(CC(=O)NCc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000360516458 167346705 /nfs/dbraw/zinc/34/67/05/167346705.db2.gz UHNUNOIRIGNUQD-UHFFFAOYSA-N 0 0 348.399 3.033 10 5 EGBERN O=C(Nc1cccc2c1OCO2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000360709232 167394650 /nfs/dbraw/zinc/39/46/50/167394650.db2.gz AQVOJQBBNFLGFN-UHFFFAOYSA-N 0 0 325.280 3.057 10 5 EGBERN C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366194934 168092973 /nfs/dbraw/zinc/09/29/73/168092973.db2.gz JRNGMXGSCNUYOF-SFHVURJKSA-N 0 0 325.368 3.184 10 5 EGBERN CC1(C)CC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2O1 ZINC000367755287 168267273 /nfs/dbraw/zinc/26/72/73/168267273.db2.gz PIEVOSKPFHIRHL-UHFFFAOYSA-N 0 0 330.296 3.184 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000368036809 168301415 /nfs/dbraw/zinc/30/14/15/168301415.db2.gz SGXLKNCGTGTTGD-AWEZNQCLSA-N 0 0 345.424 3.404 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000123633560 222308354 /nfs/dbraw/zinc/30/83/54/222308354.db2.gz OVXMVLZNXJPUQL-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN CCNc1nc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000156677593 264829719 /nfs/dbraw/zinc/82/97/19/264829719.db2.gz ZLKAQABOTFWKKV-LBPRGKRZSA-N 0 0 334.401 3.364 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000175110821 265093190 /nfs/dbraw/zinc/09/31/90/265093190.db2.gz OKMMAAZWIVAVTR-OAHLLOKOSA-N 0 0 338.360 3.164 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175113779 265093212 /nfs/dbraw/zinc/09/32/12/265093212.db2.gz ZHJJOICWJCKGKP-MRXNPFEDSA-N 0 0 334.397 3.333 10 5 EGBERN CCC[C@H](C)CS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175111831 265093404 /nfs/dbraw/zinc/09/34/04/265093404.db2.gz DLDJZIBQUOBUCZ-SWLSCSKDSA-N 0 0 328.434 3.402 10 5 EGBERN CCOc1c(F)cccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000175218138 265101123 /nfs/dbraw/zinc/10/11/23/265101123.db2.gz PHLCFNRNRNVKNE-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000175262927 265104213 /nfs/dbraw/zinc/10/42/13/265104213.db2.gz DKUWUWOJIXFPDH-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC000175676369 265129032 /nfs/dbraw/zinc/12/90/32/265129032.db2.gz ARCHGEWUFVJVLW-QWRGUYRKSA-N 0 0 344.820 3.059 10 5 EGBERN O=C(C/C=C/c1ccc(F)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176096462 265156132 /nfs/dbraw/zinc/15/61/32/265156132.db2.gz VDJQLZPCPLBXFJ-OWOJBTEDSA-N 0 0 328.343 3.496 10 5 EGBERN CC[C@@H](NC(=O)NCCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000176262418 265165066 /nfs/dbraw/zinc/16/50/66/265165066.db2.gz PHCAMQKIJHTMNI-CQSZACIVSA-N 0 0 325.434 3.488 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000176731435 265199085 /nfs/dbraw/zinc/19/90/85/265199085.db2.gz NLJWTGVSJCUFJD-QGHHPUGFSA-N 0 0 343.358 3.491 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1cccc(F)c1 ZINC000177358909 265249179 /nfs/dbraw/zinc/24/91/79/265249179.db2.gz JGGIEPXUPYZNLH-AWEZNQCLSA-N 0 0 347.346 3.025 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000177710340 265274163 /nfs/dbraw/zinc/27/41/63/265274163.db2.gz QAKDOVDZFIZDPG-GJZGRUSLSA-N 0 0 335.404 3.012 10 5 EGBERN CC[C@H](NC(=O)Cc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000177797059 265278467 /nfs/dbraw/zinc/27/84/67/265278467.db2.gz IDJNEYSYZMCPAF-INIZCTEOSA-N 0 0 338.367 3.053 10 5 EGBERN CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178055789 265292941 /nfs/dbraw/zinc/29/29/41/265292941.db2.gz BQSGIUGMZNIWGM-MRXNPFEDSA-N 0 0 341.367 3.109 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCCCC2)n1 ZINC000191453878 265905809 /nfs/dbraw/zinc/90/58/09/265905809.db2.gz QXMGXQFLJVQDNH-UHFFFAOYSA-N 0 0 343.387 3.054 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)n1 ZINC000191501842 265909244 /nfs/dbraw/zinc/90/92/44/265909244.db2.gz XJWFXWITWNJCOJ-SNVBAGLBSA-N 0 0 336.779 3.298 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]2(C)Cc2ccccc2)n1 ZINC000191715085 265926732 /nfs/dbraw/zinc/92/67/32/265926732.db2.gz YQGLLOIJJLAYKL-GOSISDBHSA-N 0 0 342.399 3.049 10 5 EGBERN C[C@@H]1COCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000193810562 266065046 /nfs/dbraw/zinc/06/50/46/266065046.db2.gz BAGQTPUQIYUZMZ-MFKMUULPSA-N 0 0 347.396 3.329 10 5 EGBERN CC[C@@H](NC(=O)c1nc2cccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000193975792 266081000 /nfs/dbraw/zinc/08/10/00/266081000.db2.gz SGYMCSZZXMVHRU-GFCCVEGCSA-N 0 0 342.380 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000194249525 266101876 /nfs/dbraw/zinc/10/18/76/266101876.db2.gz WDSXDQPSUPLAKP-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1cnn(-c3ccccc3)c1)CCN2 ZINC000195179246 266165391 /nfs/dbraw/zinc/16/53/91/266165391.db2.gz DPDNUOKVGOENRK-UHFFFAOYSA-N 0 0 335.367 3.361 10 5 EGBERN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000195243654 266167842 /nfs/dbraw/zinc/16/78/42/266167842.db2.gz PFCSJJNJDZWOCQ-SNVBAGLBSA-N 0 0 332.278 3.018 10 5 EGBERN CC[C@@H](NC(=O)C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000272708543 266903076 /nfs/dbraw/zinc/90/30/76/266903076.db2.gz DBOMOFHQMGUPOI-IEBWSBKVSA-N 0 0 342.395 3.460 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)COCC(F)(F)F ZINC000273354782 267026742 /nfs/dbraw/zinc/02/67/42/267026742.db2.gz YURSHBLEIDWGAK-HUYFXPKMSA-N 0 0 346.305 3.082 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)c1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000273768069 267103023 /nfs/dbraw/zinc/10/30/23/267103023.db2.gz XUALMHICCBTHGY-TVQRCGJNSA-N 0 0 349.416 3.266 10 5 EGBERN CCOc1cccc(NCc2cn(C)nc2C(F)(F)F)c1[N+](=O)[O-] ZINC000273836200 267120679 /nfs/dbraw/zinc/12/06/79/267120679.db2.gz GVGWWPABXUCGOR-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000273957704 267150907 /nfs/dbraw/zinc/15/09/07/267150907.db2.gz FNGXULJEWRQROZ-GXTWGEPZSA-N 0 0 338.791 3.340 10 5 EGBERN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274172616 267193302 /nfs/dbraw/zinc/19/33/02/267193302.db2.gz ISTHEKWOHVPGIW-XJKSGUPXSA-N 0 0 342.399 3.018 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000274489157 267245265 /nfs/dbraw/zinc/24/52/65/267245265.db2.gz QMKJKCZARDCDKV-BXUZGUMPSA-N 0 0 340.807 3.117 10 5 EGBERN C[C@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1[N+](=O)[O-] ZINC000274645140 267267432 /nfs/dbraw/zinc/26/74/32/267267432.db2.gz RVPFDUYGBRPPMJ-NSHDSACASA-N 0 0 347.371 3.389 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274961620 267311475 /nfs/dbraw/zinc/31/14/75/267311475.db2.gz URLQRTUBLUTTII-LBPRGKRZSA-N 0 0 343.387 3.127 10 5 EGBERN Cc1occc1C(=O)NC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275506651 267371445 /nfs/dbraw/zinc/37/14/45/267371445.db2.gz UIQVIMDVNUMRBQ-UHFFFAOYSA-N 0 0 343.383 3.203 10 5 EGBERN C[C@@H](Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[C@H](C)CO ZINC000278445231 268014658 /nfs/dbraw/zinc/01/46/58/268014658.db2.gz KVSCTVFOKHOWQD-RNFRBKRXSA-N 0 0 343.252 3.073 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000003516109 275116542 /nfs/dbraw/zinc/11/65/42/275116542.db2.gz KOVWYLOJAJZJCP-HNNXBMFYSA-N 0 0 326.352 3.167 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000042805615 275127160 /nfs/dbraw/zinc/12/71/60/275127160.db2.gz MKPKOOSWTZHNKU-AWEZNQCLSA-N 0 0 343.383 3.196 10 5 EGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000103326280 275161496 /nfs/dbraw/zinc/16/14/96/275161496.db2.gz JVUCCIXMBGRCCR-UKRRQHHQSA-N 0 0 347.415 3.173 10 5 EGBERN Cc1ccc(OCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377870 275161760 /nfs/dbraw/zinc/16/17/60/275161760.db2.gz WMRYMZSMERRIRI-CYBMUJFWSA-N 0 0 326.352 3.260 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111475398 275183749 /nfs/dbraw/zinc/18/37/49/275183749.db2.gz HKEDLAQISATDEZ-SCLBCKFNSA-N 0 0 339.395 3.370 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC000188617908 275218650 /nfs/dbraw/zinc/21/86/50/275218650.db2.gz QWBQYLZKFHVZQT-SNVBAGLBSA-N 0 0 330.369 3.103 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000270747965 275237472 /nfs/dbraw/zinc/23/74/72/275237472.db2.gz ACZLYZGPHWIJGR-OAHLLOKOSA-N 0 0 340.383 3.011 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2ccsc2)O1 ZINC000277953252 275255337 /nfs/dbraw/zinc/25/53/37/275255337.db2.gz WFDGWHPLMAUGHU-BONVTDFDSA-N 0 0 344.396 3.499 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)C1CCCCCC1 ZINC000278605117 275258449 /nfs/dbraw/zinc/25/84/49/275258449.db2.gz GDCZJIVTMJNYPB-UHFFFAOYSA-N 0 0 344.209 3.402 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CC1CCC1)[C@H](C)CO ZINC000280868116 275502718 /nfs/dbraw/zinc/50/27/18/275502718.db2.gz SRHCTKQPGRFJOD-JWAFFJSPSA-N 0 0 332.400 3.008 10 5 EGBERN CCc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281010969 275514173 /nfs/dbraw/zinc/51/41/73/275514173.db2.gz BIERBDOGMVPHQT-INIZCTEOSA-N 0 0 342.399 3.258 10 5 EGBERN Cc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281075422 275519779 /nfs/dbraw/zinc/51/97/79/275519779.db2.gz NCXOKGQVDHTHAD-HNNXBMFYSA-N 0 0 328.372 3.004 10 5 EGBERN CC(=O)[C@H](C)CCCCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282478911 275638890 /nfs/dbraw/zinc/63/88/90/275638890.db2.gz LMOAFGFBFFFSDB-CQSZACIVSA-N 0 0 334.416 3.381 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3sccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000286099592 275951264 /nfs/dbraw/zinc/95/12/64/275951264.db2.gz KXSMAGZDRIVBOR-JTQLQIEISA-N 0 0 347.396 3.270 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000286301823 275978848 /nfs/dbraw/zinc/97/88/48/275978848.db2.gz DQQISHRBRXSGFT-XHDPSFHLSA-N 0 0 340.807 3.228 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccs2)C1 ZINC000287685950 276147331 /nfs/dbraw/zinc/14/73/31/276147331.db2.gz CRVIPOAWBMHFSP-HNNXBMFYSA-N 0 0 332.381 3.437 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000288314965 276200987 /nfs/dbraw/zinc/20/09/87/276200987.db2.gz ISONDNDJNHMIAU-GFCCVEGCSA-N 0 0 341.367 3.209 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)s1 ZINC000288865117 276261844 /nfs/dbraw/zinc/26/18/44/276261844.db2.gz KTNPWKOQPZOCNI-SNVBAGLBSA-N 0 0 335.389 3.433 10 5 EGBERN CCC[C@@]1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000288965049 276272479 /nfs/dbraw/zinc/27/24/79/276272479.db2.gz WMVPNGBFAKJFEB-OAHLLOKOSA-N 0 0 326.780 3.246 10 5 EGBERN CCc1nn(C)c(Oc2ccc(C)nc2Br)c1[N+](=O)[O-] ZINC000289774216 276391897 /nfs/dbraw/zinc/39/18/97/276391897.db2.gz WJVYRPRXWPPYPB-UHFFFAOYSA-N 0 0 341.165 3.149 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000360730710 277267980 /nfs/dbraw/zinc/26/79/80/277267980.db2.gz ZLGCKERJPAASCI-UHFFFAOYSA-N 0 0 345.403 3.491 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000120976994 277395602 /nfs/dbraw/zinc/39/56/02/277395602.db2.gz HHQSDJCOVJWOGC-HNNXBMFYSA-N 0 0 326.352 3.262 10 5 EGBERN Cc1ccnc(C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)n1 ZINC000365550109 278983007 /nfs/dbraw/zinc/98/30/07/278983007.db2.gz RWTLLXMOZCFMJL-UHFFFAOYSA-N 0 0 339.399 3.045 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000359854442 280109447 /nfs/dbraw/zinc/10/94/47/280109447.db2.gz KDKQVELVFCWOPO-DTWKUNHWSA-N 0 0 326.278 3.315 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000408196698 280358730 /nfs/dbraw/zinc/35/87/30/280358730.db2.gz DWMFAGBQNRCCOI-CQSZACIVSA-N 0 0 325.796 3.429 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2Nc1nc2sccn2c1[N+](=O)[O-] ZINC000342966538 281136365 /nfs/dbraw/zinc/13/63/65/281136365.db2.gz UBGODKOJSKTOJT-LLVKDONJSA-N 0 0 330.369 3.466 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccs2)CC1 ZINC000194828292 281257600 /nfs/dbraw/zinc/25/76/00/281257600.db2.gz JVSXTEUGUAZJJI-UHFFFAOYSA-N 0 0 345.424 3.364 10 5 EGBERN Cc1nnc([C@@H]2CCCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000351730546 293366530 /nfs/dbraw/zinc/36/65/30/293366530.db2.gz PPBGESHXCAOTNF-AWEZNQCLSA-N 0 0 337.330 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000359098722 301203858 /nfs/dbraw/zinc/20/38/58/301203858.db2.gz BADMJGYZMFGREC-INIZCTEOSA-N 0 0 326.400 3.100 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCC1CC1 ZINC000087314789 307445928 /nfs/dbraw/zinc/44/59/28/307445928.db2.gz APHAQOXLKFTXRK-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN CC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000131246502 307640277 /nfs/dbraw/zinc/64/02/77/307640277.db2.gz TVGCQZZSGLYYNK-LLVKDONJSA-N 0 0 335.385 3.088 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134623044 307691157 /nfs/dbraw/zinc/69/11/57/307691157.db2.gz CPWAELOEAMNIGV-ABAIWWIYSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000135150654 307698731 /nfs/dbraw/zinc/69/87/31/307698731.db2.gz LJNPFXWXNQFZNB-PXAZEXFGSA-N 0 0 341.367 3.451 10 5 EGBERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000151148858 307728925 /nfs/dbraw/zinc/72/89/25/307728925.db2.gz JRURVFAOCXREQP-QWHCGFSZSA-N 0 0 344.367 3.134 10 5 EGBERN Cc1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccccc12 ZINC000153309465 307770416 /nfs/dbraw/zinc/77/04/16/307770416.db2.gz XOCUGPSTMVUZJU-UHFFFAOYSA-N 0 0 334.379 3.405 10 5 EGBERN CN(C(=O)COC/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000153537029 307775266 /nfs/dbraw/zinc/77/52/66/307775266.db2.gz GNEFBPWOEXOCBK-VMPITWQZSA-N 0 0 326.352 3.288 10 5 EGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248553305 308005492 /nfs/dbraw/zinc/00/54/92/308005492.db2.gz LAAAFKVPWHGMNW-XNRPHZJLSA-N 0 0 338.429 3.078 10 5 EGBERN C[C@]12CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]1C2(F)F ZINC000292809256 308067965 /nfs/dbraw/zinc/06/79/65/308067965.db2.gz LJIILBFFDIMTNR-HIFRSBDPSA-N 0 0 336.294 3.458 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294804123 308259040 /nfs/dbraw/zinc/25/90/40/308259040.db2.gz CCSLHXYNHXAECE-RISCZKNCSA-N 0 0 336.363 3.441 10 5 EGBERN CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295362333 308318543 /nfs/dbraw/zinc/31/85/43/308318543.db2.gz WFABMOPPARQZNA-ZFWWWQNUSA-N 0 0 344.371 3.129 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000295703956 308352460 /nfs/dbraw/zinc/35/24/60/308352460.db2.gz BXQCLRRCAVOGQE-ONGXEEELSA-N 0 0 346.305 3.406 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000295893507 308371923 /nfs/dbraw/zinc/37/19/23/308371923.db2.gz HGQQRUOSIVDCNW-MNOVXSKESA-N 0 0 346.305 3.163 10 5 EGBERN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000296532132 308437790 /nfs/dbraw/zinc/43/77/90/308437790.db2.gz AQNVJEYPBPPZKT-AWEZNQCLSA-N 0 0 348.424 3.392 10 5 EGBERN COc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1[N+](=O)[O-] ZINC000299719584 308685486 /nfs/dbraw/zinc/68/54/86/308685486.db2.gz YQLVGJYSLYSIOC-DOOHLRMFSA-N 0 0 330.384 3.254 10 5 EGBERN Cc1ccc(CN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])o1 ZINC000301112028 308688600 /nfs/dbraw/zinc/68/86/00/308688600.db2.gz WRJBYFRLLNSSQH-UHFFFAOYSA-N 0 0 331.372 3.271 10 5 EGBERN COc1ccc(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000301122349 308689025 /nfs/dbraw/zinc/68/90/25/308689025.db2.gz MSFQIYJVCSEENG-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN Cc1cc(N[C@@H](C)C(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000301197185 308691604 /nfs/dbraw/zinc/69/16/04/308691604.db2.gz USWTWAKJAWHANY-ZDUSSCGKSA-N 0 0 325.368 3.293 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301241718 308693196 /nfs/dbraw/zinc/69/31/96/308693196.db2.gz JYLMPXBMIOCABK-DIFFPNOSSA-N 0 0 325.368 3.300 10 5 EGBERN Cc1ccnc(N[C@@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000301611748 308707292 /nfs/dbraw/zinc/70/72/92/308707292.db2.gz DYHRSQWDKNYCSV-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN CS[C@@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301669386 308710071 /nfs/dbraw/zinc/71/00/71/308710071.db2.gz DQCRLKVTRUHMOA-VHSXEESVSA-N 0 0 337.401 3.012 10 5 EGBERN Cc1cc(N(C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000301956321 308723009 /nfs/dbraw/zinc/72/30/09/308723009.db2.gz MFPMDZDNOKGJMT-KRWDZBQOSA-N 0 0 343.358 3.284 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000302142382 308730603 /nfs/dbraw/zinc/73/06/03/308730603.db2.gz PNLDNDZFNWVKRN-LRDDRELGSA-N 0 0 341.367 3.364 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000302185927 308732454 /nfs/dbraw/zinc/73/24/54/308732454.db2.gz UFPAZGMRYCSZPJ-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)cc(OC)c2)c1 ZINC000302188313 308732579 /nfs/dbraw/zinc/73/25/79/308732579.db2.gz QHPABSLZWQHEHN-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN COc1cc(N2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000302255800 308735202 /nfs/dbraw/zinc/73/52/02/308735202.db2.gz OFRZAPONNXBWMO-GOSISDBHSA-N 0 0 344.342 3.378 10 5 EGBERN COc1cc(NCC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000302464411 308737704 /nfs/dbraw/zinc/73/77/04/308737704.db2.gz VCWPJOQBOPEFIW-KRWDZBQOSA-N 0 0 334.347 3.452 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000302478772 308737755 /nfs/dbraw/zinc/73/77/55/308737755.db2.gz XEIOCSCBCKGYBM-JTQLQIEISA-N 0 0 330.344 3.293 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302662773 308741407 /nfs/dbraw/zinc/74/14/07/308741407.db2.gz PHXAVSNSUHXHDU-ZDUSSCGKSA-N 0 0 340.445 3.403 10 5 EGBERN CC(C)(C)OC(=O)NC(C)(C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302821579 308746970 /nfs/dbraw/zinc/74/69/70/308746970.db2.gz QZTJNBUEQMOICU-UHFFFAOYSA-N 0 0 327.356 3.449 10 5 EGBERN COc1cc(N2CCN(c3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000326582076 308770968 /nfs/dbraw/zinc/77/09/68/308770968.db2.gz ZUNQZUIYENRCRD-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)n[nH]2)c1 ZINC000338107402 308877994 /nfs/dbraw/zinc/87/79/94/308877994.db2.gz OGKNSLLDFVYAEP-UHFFFAOYSA-N 0 0 339.355 3.193 10 5 EGBERN O=C(Nc1cccc(CCCO)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000359598750 308892922 /nfs/dbraw/zinc/89/29/22/308892922.db2.gz BHDPNLNXHZNUHJ-UHFFFAOYSA-N 0 0 339.351 3.253 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000411186035 308930171 /nfs/dbraw/zinc/93/01/71/308930171.db2.gz PCIJKBKTHBTCMG-FPMFFAJLSA-N 0 0 342.317 3.499 10 5 EGBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413110994 309016651 /nfs/dbraw/zinc/01/66/51/309016651.db2.gz SXZCJLXSWOGYRH-QAPCUYQASA-N 0 0 326.327 3.369 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](CO)c2ccccc2)c(C(F)(F)F)c1 ZINC000413183034 309020111 /nfs/dbraw/zinc/02/01/11/309020111.db2.gz UMYQKCFOFWTXOL-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000413290059 309025396 /nfs/dbraw/zinc/02/53/96/309025396.db2.gz ZJOXYPLYVQMNFA-GFCCVEGCSA-N 0 0 345.378 3.046 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000413359593 309028644 /nfs/dbraw/zinc/02/86/44/309028644.db2.gz XUXIYQVEELZDNN-RBSFLKMASA-N 0 0 329.356 3.494 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCc2ccccc2O1 ZINC000414864003 309106267 /nfs/dbraw/zinc/10/62/67/309106267.db2.gz CJYDJRUTIXHJTF-KPZWWZAWSA-N 0 0 338.363 3.266 10 5 EGBERN COC1([C@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC1 ZINC000416026743 309155187 /nfs/dbraw/zinc/15/51/87/309155187.db2.gz JQKIGMJBYJTYBQ-VIFPVBQESA-N 0 0 346.305 3.301 10 5 EGBERN C[C@H]1[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000416119652 309159411 /nfs/dbraw/zinc/15/94/11/309159411.db2.gz SONPKJBXHQJUTI-OPRDCNLKSA-N 0 0 328.315 3.313 10 5 EGBERN Cc1sc(C(=O)N[C@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000416332870 309169031 /nfs/dbraw/zinc/16/90/31/309169031.db2.gz NEPCLOZWQRNARH-LBPRGKRZSA-N 0 0 326.418 3.026 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000416898188 309185735 /nfs/dbraw/zinc/18/57/35/309185735.db2.gz BHYXUXOZWIZDQT-OAHLLOKOSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1cc(N2CCC[C@H]2COc2cccnc2C)ncc1[N+](=O)[O-] ZINC000419024348 309259692 /nfs/dbraw/zinc/25/96/92/309259692.db2.gz KPILRCWDQXHHPB-AWEZNQCLSA-N 0 0 328.372 3.049 10 5 EGBERN Cc1cnc(N2CCC[C@@H]2COc2cccnc2C)c([N+](=O)[O-])c1 ZINC000419028011 309259754 /nfs/dbraw/zinc/25/97/54/309259754.db2.gz POUMAKMFXJDRSF-CQSZACIVSA-N 0 0 328.372 3.049 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623370 309290668 /nfs/dbraw/zinc/29/06/68/309290668.db2.gz VBIUHHKMKWRKPV-GOEBONIOSA-N 0 0 342.399 3.152 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421479772 309326452 /nfs/dbraw/zinc/32/64/52/309326452.db2.gz YWKYWHGCRXJTKZ-JHJVBQTASA-N 0 0 326.356 3.155 10 5 EGBERN Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000421496133 309327075 /nfs/dbraw/zinc/32/70/75/309327075.db2.gz LOUTZFBDAVGASL-UHFFFAOYSA-N 0 0 333.413 3.291 10 5 EGBERN CCCN(C(=O)c1nn(C)c(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000421535650 309328769 /nfs/dbraw/zinc/32/87/69/309328769.db2.gz CZIISMIBAKFMLR-UHFFFAOYSA-N 0 0 336.779 3.347 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000421671027 309333838 /nfs/dbraw/zinc/33/38/38/309333838.db2.gz PJHKZDNSHIRLNJ-YPMHNXCESA-N 0 0 338.429 3.394 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421673148 309333999 /nfs/dbraw/zinc/33/39/99/309333999.db2.gz WXQBBISYLNKUGF-WCQYABFASA-N 0 0 338.379 3.085 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000421783526 309339873 /nfs/dbraw/zinc/33/98/73/309339873.db2.gz GASUTHOKWIRKKA-OAHLLOKOSA-N 0 0 346.408 3.487 10 5 EGBERN COc1ccc(Cl)cc1C(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000424111793 309429757 /nfs/dbraw/zinc/42/97/57/309429757.db2.gz HTDYXKMEMRZSEM-UHFFFAOYSA-N 0 0 337.763 3.250 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000425029379 309462821 /nfs/dbraw/zinc/46/28/21/309462821.db2.gz IKEYALROKURWMQ-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)n1 ZINC000427190425 309524325 /nfs/dbraw/zinc/52/43/25/309524325.db2.gz ULYNINARNASVKH-CYBMUJFWSA-N 0 0 330.388 3.261 10 5 EGBERN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000427756177 309535351 /nfs/dbraw/zinc/53/53/51/309535351.db2.gz HFAQPGUROBBJGG-MRXNPFEDSA-N 0 0 348.399 3.145 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000428105343 309542432 /nfs/dbraw/zinc/54/24/32/309542432.db2.gz DODMQJVCZBSDIW-TXPWEPMLSA-N 0 0 343.427 3.359 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000428652359 309557649 /nfs/dbraw/zinc/55/76/49/309557649.db2.gz UEZQGERNEIXBGR-DZGCQCFKSA-N 0 0 339.342 3.144 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ncnc3cc(Cl)ccc32)cc1CO ZINC000428658850 309557966 /nfs/dbraw/zinc/55/79/66/309557966.db2.gz FOMXNQJTDAMHMA-UHFFFAOYSA-N 0 0 331.715 3.476 10 5 EGBERN COC(=O)[C@H](CC(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429126156 309571402 /nfs/dbraw/zinc/57/14/02/309571402.db2.gz HGACUTNBEWUOTE-AWEZNQCLSA-N 0 0 328.796 3.268 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430217216 309601991 /nfs/dbraw/zinc/60/19/91/309601991.db2.gz JDYUJMGKCOLFLI-GFCCVEGCSA-N 0 0 346.383 3.471 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cncnc1 ZINC000430714528 309615904 /nfs/dbraw/zinc/61/59/04/309615904.db2.gz OTOLBVVRKNBALE-QMMMGPOBSA-N 0 0 340.261 3.146 10 5 EGBERN Cn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21 ZINC000431707533 309640622 /nfs/dbraw/zinc/64/06/22/309640622.db2.gz XTAKBVZAQDEDMY-UHFFFAOYSA-N 0 0 327.315 3.156 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2(CCC2)C[C@@H]1C ZINC000432312208 309656946 /nfs/dbraw/zinc/65/69/46/309656946.db2.gz GHSYCWZNWZIRJQ-ZDUSSCGKSA-N 0 0 338.429 3.165 10 5 EGBERN COc1ccc(NC(=O)c2cn(C)c3ccc(F)cc23)cc1[N+](=O)[O-] ZINC000435798304 309740765 /nfs/dbraw/zinc/74/07/65/309740765.db2.gz HTZLEHHTVODAKT-UHFFFAOYSA-N 0 0 343.314 3.487 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439264515 309829739 /nfs/dbraw/zinc/82/97/39/309829739.db2.gz YJRJKIFZASQTOH-STQMWFEESA-N 0 0 344.367 3.230 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C(C)C ZINC000439881759 309841536 /nfs/dbraw/zinc/84/15/36/309841536.db2.gz XEUIPIYABVCEGV-UHFFFAOYSA-N 0 0 347.375 3.494 10 5 EGBERN CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000440727508 309855400 /nfs/dbraw/zinc/85/54/00/309855400.db2.gz BOEIJZMLOIMZIQ-LBPRGKRZSA-N 0 0 341.367 3.353 10 5 EGBERN C[C@@H]1COCC[C@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442697049 309884729 /nfs/dbraw/zinc/88/47/29/309884729.db2.gz SXMNBMAJRYMDDA-BXUZGUMPSA-N 0 0 331.372 3.444 10 5 EGBERN Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443712427 309907096 /nfs/dbraw/zinc/90/70/96/309907096.db2.gz UUROGQAIIPWNTL-KRWDZBQOSA-N 0 0 346.408 3.010 10 5 EGBERN CCCC[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443756746 309907715 /nfs/dbraw/zinc/90/77/15/309907715.db2.gz AXSFSSJVKLAAEN-GOEBONIOSA-N 0 0 340.445 3.373 10 5 EGBERN Cc1ccc(NC(=O)NC[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000446017874 309953395 /nfs/dbraw/zinc/95/33/95/309953395.db2.gz AVEHXYGVIBGZRP-KRWDZBQOSA-N 0 0 335.404 3.356 10 5 EGBERN C[C@H]1COC(C)(C)CN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448396342 310003636 /nfs/dbraw/zinc/00/36/36/310003636.db2.gz IELIHQOREJLFRD-VIFPVBQESA-N 0 0 346.305 3.253 10 5 EGBERN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000448398048 310003682 /nfs/dbraw/zinc/00/36/82/310003682.db2.gz ZEIOQQYJBJARTG-OPRDCNLKSA-N 0 0 346.305 3.252 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000448797405 310018334 /nfs/dbraw/zinc/01/83/34/310018334.db2.gz QHCFSAHFQIIJDD-SJORKVTESA-N 0 0 338.363 3.230 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000449793458 310087682 /nfs/dbraw/zinc/08/76/82/310087682.db2.gz WWYDLHZZDORARC-VXGBXAGGSA-N 0 0 326.352 3.409 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000449859533 310091206 /nfs/dbraw/zinc/09/12/06/310091206.db2.gz HFGIWKDYZZQTBG-GFCCVEGCSA-N 0 0 328.372 3.089 10 5 EGBERN C[C@H]1Cc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2O1 ZINC000450083497 310102486 /nfs/dbraw/zinc/10/24/86/310102486.db2.gz AUINTDXCJRNTDP-LBPRGKRZSA-N 0 0 338.363 3.117 10 5 EGBERN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000450421399 310121540 /nfs/dbraw/zinc/12/15/40/310121540.db2.gz SRROKRONZJMDLW-HNNXBMFYSA-N 0 0 343.383 3.355 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCc3c(F)cccc32)n1 ZINC000450550905 310129712 /nfs/dbraw/zinc/12/97/12/310129712.db2.gz DVXKDBZWHXEEST-ZDUSSCGKSA-N 0 0 345.330 3.405 10 5 EGBERN CC[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450649917 310135060 /nfs/dbraw/zinc/13/50/60/310135060.db2.gz CIWCXZARQYITTN-HIFRSBDPSA-N 0 0 345.374 3.393 10 5 EGBERN CCOC(=O)c1cc(NCCc2ncccc2C)ccc1[N+](=O)[O-] ZINC000450737268 310140058 /nfs/dbraw/zinc/14/00/58/310140058.db2.gz IUVOWOSVRJRFBO-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN CC(C)[C@H]1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000450738664 310140286 /nfs/dbraw/zinc/14/02/86/310140286.db2.gz OVKXDCJXERZKEE-SJKOYZFVSA-N 0 0 347.415 3.343 10 5 EGBERN COc1cc(N[C@@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000450789425 310142705 /nfs/dbraw/zinc/14/27/05/310142705.db2.gz GKTHGXUHXFLMOP-WBMJQRKESA-N 0 0 347.346 3.470 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000450802616 310143222 /nfs/dbraw/zinc/14/32/22/310143222.db2.gz ZKQFNEXQUNTINU-GJZGRUSLSA-N 0 0 328.372 3.334 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257051 310168185 /nfs/dbraw/zinc/16/81/85/310168185.db2.gz FWTMDLBQVAOYKV-ZMYBRWDISA-N 0 0 344.386 3.456 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000452193472 310217893 /nfs/dbraw/zinc/21/78/93/310217893.db2.gz NSBTZPXLMFGGHG-INIZCTEOSA-N 0 0 329.331 3.245 10 5 EGBERN O=C(NCC1=CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452291345 310221753 /nfs/dbraw/zinc/22/17/53/310221753.db2.gz MNZJMRSDDRKKRL-UHFFFAOYSA-N 0 0 326.299 3.426 10 5 EGBERN Cc1ncccc1N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452635101 310235224 /nfs/dbraw/zinc/23/52/24/310235224.db2.gz ARYKXZIMVXYGBD-LLVKDONJSA-N 0 0 349.774 3.382 10 5 EGBERN CO[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000452761182 310241011 /nfs/dbraw/zinc/24/10/11/310241011.db2.gz AEBWQXJJCBCKRK-GOSISDBHSA-N 0 0 328.368 3.195 10 5 EGBERN COC[C@]1(C)CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000452795404 310242216 /nfs/dbraw/zinc/24/22/16/310242216.db2.gz ONYDTMIBYTZKDP-CQSZACIVSA-N 0 0 346.305 3.112 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000452809572 310242951 /nfs/dbraw/zinc/24/29/51/310242951.db2.gz CSAJXVZGXYSNDH-BLLLJJGKSA-N 0 0 345.399 3.257 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000452822899 310243693 /nfs/dbraw/zinc/24/36/93/310243693.db2.gz QWVZICKNHFQSNZ-PBHICJAKSA-N 0 0 348.443 3.440 10 5 EGBERN O=C(Cc1cccc(O)c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452861759 310246234 /nfs/dbraw/zinc/24/62/34/310246234.db2.gz UOZYNXKBSHBVFE-INIZCTEOSA-N 0 0 340.379 3.249 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000452864972 310246450 /nfs/dbraw/zinc/24/64/50/310246450.db2.gz FAYOXVKGJAMFQV-XHDPSFHLSA-N 0 0 340.807 3.429 10 5 EGBERN Cc1sc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452903604 310248109 /nfs/dbraw/zinc/24/81/09/310248109.db2.gz UZTDFYRRKCUBCW-DGCLKSJQSA-N 0 0 326.418 3.146 10 5 EGBERN CC[C@H](C)OCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453245174 310266449 /nfs/dbraw/zinc/26/64/49/310266449.db2.gz ZZCWISULXMRCDN-JTQLQIEISA-N 0 0 332.360 3.318 10 5 EGBERN C[C@@H]1CCN(c2cc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)ccn2)C1 ZINC000453248281 310266591 /nfs/dbraw/zinc/26/65/91/310266591.db2.gz BWAPVDSHLKRDLJ-SNVBAGLBSA-N 0 0 341.327 3.146 10 5 EGBERN Cc1c(-c2noc([C@H]3CCCc4n[nH]cc43)n2)cccc1[N+](=O)[O-] ZINC000453258445 310267395 /nfs/dbraw/zinc/26/73/95/310267395.db2.gz OXJROFPTCGJGNN-NSHDSACASA-N 0 0 325.328 3.145 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000454324540 310303645 /nfs/dbraw/zinc/30/36/45/310303645.db2.gz OYIBNUMUGGTUQZ-IAQYHMDHSA-N 0 0 339.367 3.307 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000455171367 310348410 /nfs/dbraw/zinc/34/84/10/310348410.db2.gz QDMWBKKRJQDFBB-MCTLKSGKSA-N 0 0 343.383 3.279 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000456133873 310390024 /nfs/dbraw/zinc/39/00/24/310390024.db2.gz GENKDYQIZCQSLP-CABZTGNLSA-N 0 0 346.305 3.111 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000456157283 310391020 /nfs/dbraw/zinc/39/10/20/310391020.db2.gz AIFKGHQQYIYFAK-GFCCVEGCSA-N 0 0 343.387 3.197 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000456312313 310397885 /nfs/dbraw/zinc/39/78/85/310397885.db2.gz KYUNFHGHXMYORP-OCCSQVGLSA-N 0 0 347.396 3.010 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000456871202 310426750 /nfs/dbraw/zinc/42/67/50/310426750.db2.gz QUKOWGCMUBNQCN-YUMQZZPRSA-N 0 0 345.218 3.195 10 5 EGBERN COc1ccc(CNC(=O)NC2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000457950081 310479735 /nfs/dbraw/zinc/47/97/35/310479735.db2.gz XHUJXIIPYMHMFG-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@@H]1COC)c1cccc([N+](=O)[O-])c1 ZINC000458484525 310506031 /nfs/dbraw/zinc/50/60/31/310506031.db2.gz BUTPSCGAFXVDMA-CVEARBPZSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@H](CC(F)(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000459906999 310577754 /nfs/dbraw/zinc/57/77/54/310577754.db2.gz UYLIZAPWMRGQCM-MRVPVSSYSA-N 0 0 348.277 3.283 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000460519913 310584133 /nfs/dbraw/zinc/58/41/33/310584133.db2.gz PKXIUOQLZRAKPT-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)C(F)(F)F)c(Cc2ccccc2)c1 ZINC000460615936 310584717 /nfs/dbraw/zinc/58/47/17/310584717.db2.gz BLLWUQVBRRCAEJ-OAHLLOKOSA-N 0 0 341.285 3.488 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000464718627 310623319 /nfs/dbraw/zinc/62/33/19/310623319.db2.gz DXAAHWALTRGNLI-UHFFFAOYSA-N 0 0 346.387 3.409 10 5 EGBERN CCOC(=O)c1cc(NC[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000467770128 310677874 /nfs/dbraw/zinc/67/78/74/310677874.db2.gz KVOJRDJQYODOIW-KRWDZBQOSA-N 0 0 338.404 3.371 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471550587 310738806 /nfs/dbraw/zinc/73/88/06/310738806.db2.gz ZCKKAADECAOQIT-SNVBAGLBSA-N 0 0 326.780 3.416 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000476180715 310823388 /nfs/dbraw/zinc/82/33/88/310823388.db2.gz WNNXWLHWIKCPMB-JTQLQIEISA-N 0 0 346.836 3.367 10 5 EGBERN C[C@@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000479710443 310882192 /nfs/dbraw/zinc/88/21/92/310882192.db2.gz AAULMRGSWWANER-FZKQIMNGSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCCC[C@@H]1C ZINC000481334748 310910933 /nfs/dbraw/zinc/91/09/33/310910933.db2.gz DTLWZJPIDBWYFQ-ZDUSSCGKSA-N 0 0 326.418 3.165 10 5 EGBERN COC(=O)c1cc(NC(=O)N2C[C@@H](C)CC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486857404 311000763 /nfs/dbraw/zinc/00/07/63/311000763.db2.gz KBRUPODVMVQBTR-WDEREUQCSA-N 0 0 349.387 3.342 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCc2cccc(O)c21 ZINC000486902712 311001538 /nfs/dbraw/zinc/00/15/38/311001538.db2.gz YKJGCAARCNGAJL-UHFFFAOYSA-N 0 0 348.305 3.101 10 5 EGBERN CC(C)[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487397606 311022006 /nfs/dbraw/zinc/02/20/06/311022006.db2.gz URMYNNMKEPGMIP-NSHDSACASA-N 0 0 326.343 3.310 10 5 EGBERN CC[C@H](NC(=O)c1ccnc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000487871573 311040733 /nfs/dbraw/zinc/04/07/33/311040733.db2.gz ANDQBAHJMNKJQW-AWEZNQCLSA-N 0 0 326.356 3.143 10 5 EGBERN O=c1c2ccccc2n(Cc2cncc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000487884018 311041150 /nfs/dbraw/zinc/04/11/50/311041150.db2.gz DVZNEEBHAIGWJY-UHFFFAOYSA-N 0 0 349.268 3.372 10 5 EGBERN Cc1ccnc(N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000488078965 311050189 /nfs/dbraw/zinc/05/01/89/311050189.db2.gz JOWBVSKPZMVLKM-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CC(C)n1cc(COc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000488287065 311059383 /nfs/dbraw/zinc/05/93/83/311059383.db2.gz BQCKRSUEYFYMDO-UHFFFAOYSA-N 0 0 341.165 3.109 10 5 EGBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488796416 311080558 /nfs/dbraw/zinc/08/05/58/311080558.db2.gz KTVKMLUNYTXAFZ-GFCCVEGCSA-N 0 0 344.408 3.323 10 5 EGBERN CC(C)(NCc1cnn(CC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000492395330 311245840 /nfs/dbraw/zinc/24/58/40/311245840.db2.gz HDLDKDQWTCVTIV-UHFFFAOYSA-N 0 0 342.321 3.379 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000501094752 311938796 /nfs/dbraw/zinc/93/87/96/311938796.db2.gz OEFNJJMFCFAKJD-NHYWBVRUSA-N 0 0 335.404 3.127 10 5 EGBERN Cc1cccc(C(=O)NCCc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000503674789 311992670 /nfs/dbraw/zinc/99/26/70/311992670.db2.gz ZJDAOJLLLDXCFB-UHFFFAOYSA-N 0 0 338.285 3.293 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000507467841 312073737 /nfs/dbraw/zinc/07/37/37/312073737.db2.gz MEHNDANLNCJVCX-VXGBXAGGSA-N 0 0 330.306 3.232 10 5 EGBERN Cc1c(Br)cc(C(=O)NC[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000509664943 312123106 /nfs/dbraw/zinc/12/31/06/312123106.db2.gz QRZKRXPSFJTSJW-GMSGAONNSA-N 0 0 327.178 3.052 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000516100168 312308515 /nfs/dbraw/zinc/30/85/15/312308515.db2.gz FRVOMYAFCFIKKO-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000519668852 312469439 /nfs/dbraw/zinc/46/94/39/312469439.db2.gz KGTMZKCZECFCHA-ZJUUUORDSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)oc1C ZINC000522030729 312571726 /nfs/dbraw/zinc/57/17/26/312571726.db2.gz PGCYENSVQBSDDN-UHFFFAOYSA-N 0 0 327.340 3.258 10 5 EGBERN Cc1c(Br)cc(C(=O)N2[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000527471731 312867075 /nfs/dbraw/zinc/86/70/75/312867075.db2.gz OHWCOQGTBFPDEO-HTQZYQBOSA-N 0 0 327.178 3.289 10 5 EGBERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000532381031 313791632 /nfs/dbraw/zinc/79/16/32/313791632.db2.gz PJGDXTLSDYMBAA-CYBMUJFWSA-N 0 0 348.399 3.179 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cn1 ZINC000532397393 313794298 /nfs/dbraw/zinc/79/42/98/313794298.db2.gz SBADUVFEYXDMLR-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000533256760 313888466 /nfs/dbraw/zinc/88/84/66/313888466.db2.gz NHXSSIMPTZHHCX-LBPRGKRZSA-N 0 0 343.383 3.045 10 5 EGBERN CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000536575573 314126144 /nfs/dbraw/zinc/12/61/44/314126144.db2.gz VVKIWNMDPAJTOX-CYBMUJFWSA-N 0 0 327.384 3.474 10 5 EGBERN C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000537579794 314190467 /nfs/dbraw/zinc/19/04/67/314190467.db2.gz FQSGBENVHBQJBN-LBPRGKRZSA-N 0 0 343.358 3.207 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCO[C@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000540038671 314359248 /nfs/dbraw/zinc/35/92/48/314359248.db2.gz KGNHAWMVMVWYMJ-WFASDCNBSA-N 0 0 336.388 3.305 10 5 EGBERN COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000541771147 314487064 /nfs/dbraw/zinc/48/70/64/314487064.db2.gz NEAHBUFRXQRTPI-SFHVURJKSA-N 0 0 340.379 3.176 10 5 EGBERN O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc([N+](=O)[O-])cn1 ZINC000541876987 314500023 /nfs/dbraw/zinc/50/00/23/314500023.db2.gz OAGTYVIZEGQZOM-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc2c(c1)COC2 ZINC000542538915 314556723 /nfs/dbraw/zinc/55/67/23/314556723.db2.gz VHRZYAOSWOOZCL-GFCCVEGCSA-N 0 0 338.363 3.145 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCc3ccccc3N2)c1 ZINC000543902689 314662771 /nfs/dbraw/zinc/66/27/71/314662771.db2.gz SCMNOTAIVYNACB-AWEZNQCLSA-N 0 0 341.367 3.220 10 5 EGBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000544879695 314722681 /nfs/dbraw/zinc/72/26/81/314722681.db2.gz SCTJPBNSKYPBDG-AUUYWEPGSA-N 0 0 348.443 3.221 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3OC(F)F)no2)nc1 ZINC000546324759 314822094 /nfs/dbraw/zinc/82/20/94/314822094.db2.gz OTSHEFHCDVWIKH-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC000551032549 315140011 /nfs/dbraw/zinc/14/00/11/315140011.db2.gz PSUUUXCCXFWGJW-SECBINFHSA-N 0 0 343.261 3.385 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000552970988 315239388 /nfs/dbraw/zinc/23/93/88/315239388.db2.gz AATYMVXPGCTHJP-OAHLLOKOSA-N 0 0 341.367 3.493 10 5 EGBERN Cc1ccc(C)c(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c1 ZINC000553246679 315252936 /nfs/dbraw/zinc/25/29/36/315252936.db2.gz IVAWMWFKKOKSTE-UHFFFAOYSA-N 0 0 338.367 3.497 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](CC(F)(F)F)C1 ZINC000553244823 315252968 /nfs/dbraw/zinc/25/29/68/315252968.db2.gz AWMONXCNIGXJPR-SNVBAGLBSA-N 0 0 346.305 3.469 10 5 EGBERN Cc1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1O ZINC000555105618 315366368 /nfs/dbraw/zinc/36/63/68/315366368.db2.gz BBIOIQKTPQFKES-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN CC1(C2CC2)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000555139544 315368518 /nfs/dbraw/zinc/36/85/18/315368518.db2.gz HWQSNLGDWZUPBJ-UHFFFAOYSA-N 0 0 328.372 3.260 10 5 EGBERN CC(C)(C)C1CC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000555406542 315382457 /nfs/dbraw/zinc/38/24/57/315382457.db2.gz XKEIGHVHLNSYNS-UHFFFAOYSA-N 0 0 346.836 3.351 10 5 EGBERN COc1cccc2c1ncc(C)c2NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000556453044 315436784 /nfs/dbraw/zinc/43/67/84/315436784.db2.gz RIPQKNQJNSFNSI-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000559941045 315651027 /nfs/dbraw/zinc/65/10/27/315651027.db2.gz JRYPLJVFOTZGSV-IAGOWNOFSA-N 0 0 334.416 3.239 10 5 EGBERN COc1ncc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Cl ZINC000559969970 315652348 /nfs/dbraw/zinc/65/23/48/315652348.db2.gz DTLIWNYAWWRSJZ-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN CO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000561356340 315758453 /nfs/dbraw/zinc/75/84/53/315758453.db2.gz KFJCLWHYVCVHBU-OKILXGFUSA-N 0 0 331.347 3.410 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000561486580 315765686 /nfs/dbraw/zinc/76/56/86/315765686.db2.gz NIBUFYBWONGJQE-SFHVURJKSA-N 0 0 343.358 3.347 10 5 EGBERN C[C@H]1C[C@H](C)N1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066222 315798063 /nfs/dbraw/zinc/79/80/63/315798063.db2.gz GGKUHDDSCMCOOI-IUCAKERBSA-N 0 0 346.168 3.182 10 5 EGBERN C[C@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000562400622 315828988 /nfs/dbraw/zinc/82/89/88/315828988.db2.gz VKUGTURUZDYVKR-NSHDSACASA-N 0 0 337.339 3.122 10 5 EGBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000563295277 315993227 /nfs/dbraw/zinc/99/32/27/315993227.db2.gz JSSXRQOFDBSUGN-MFKMUULPSA-N 0 0 336.413 3.336 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000565965953 316396080 /nfs/dbraw/zinc/39/60/80/316396080.db2.gz KNTCOJANLNVAJX-GOSISDBHSA-N 0 0 336.432 3.176 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 ZINC000567077990 316565676 /nfs/dbraw/zinc/56/56/76/316565676.db2.gz QLTINSQHPLXQAV-XYPYZODXSA-N 0 0 348.790 3.141 10 5 EGBERN C[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000569300815 316892715 /nfs/dbraw/zinc/89/27/15/316892715.db2.gz RKGZQDHRMHAEDG-NEPJUHHUSA-N 0 0 342.351 3.304 10 5 EGBERN CC(C)[C@@H]1CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569897722 316977673 /nfs/dbraw/zinc/97/76/73/316977673.db2.gz LMONYWQKFBUXOX-KRWDZBQOSA-N 0 0 344.415 3.449 10 5 EGBERN Cn1ncc(OCc2c(F)cc([N+](=O)[O-])cc2F)c1C(F)(F)F ZINC000570816247 317112277 /nfs/dbraw/zinc/11/22/77/317112277.db2.gz KPAUIMPZTCHWAW-UHFFFAOYSA-N 0 0 337.204 3.204 10 5 EGBERN COc1ccc(OCCN(C)c2c(OC)cccc2[N+](=O)[O-])cc1 ZINC000571202580 317166055 /nfs/dbraw/zinc/16/60/55/317166055.db2.gz JGHCHBCAJJMTGO-UHFFFAOYSA-N 0 0 332.356 3.127 10 5 EGBERN O=C1[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000571709063 317235355 /nfs/dbraw/zinc/23/53/55/317235355.db2.gz UEUMIBNSDRZBID-AWEZNQCLSA-N 0 0 347.321 3.086 10 5 EGBERN COC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171315973 323229662 /nfs/dbraw/zinc/22/96/62/323229662.db2.gz BZRFCWQMNJMYDB-AWEZNQCLSA-N 0 0 346.408 3.434 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021573 323265974 /nfs/dbraw/zinc/26/59/74/323265974.db2.gz JNLLIBRJSGGTNR-AWEZNQCLSA-N 0 0 339.823 3.081 10 5 EGBERN COc1cc(Cc2noc([C@H]3CCC(C)(C)O3)n2)ccc1[N+](=O)[O-] ZINC000350175572 324059390 /nfs/dbraw/zinc/05/93/90/324059390.db2.gz ALBPWNFJMFKOKI-GFCCVEGCSA-N 0 0 333.344 3.207 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccnc(C)c3)no2)cc1[N+](=O)[O-] ZINC000350548384 324089292 /nfs/dbraw/zinc/08/92/92/324089292.db2.gz UDFUGWHFMCLTOW-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000351023711 324156138 /nfs/dbraw/zinc/15/61/38/324156138.db2.gz JFIOWPOJEJAHEM-UHFFFAOYSA-N 0 0 330.300 3.179 10 5 EGBERN C[C@H]1C[C@@H](c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000351105628 324171651 /nfs/dbraw/zinc/17/16/51/324171651.db2.gz NSHBFHYMUJRSBE-AAEUAGOBSA-N 0 0 345.355 3.076 10 5 EGBERN Cc1ccc(C2CC2)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000424761228 324327435 /nfs/dbraw/zinc/32/74/35/324327435.db2.gz WHLXEGWMGXGVMO-UHFFFAOYSA-N 0 0 337.379 3.374 10 5 EGBERN Cc1cc(C(=O)NCc2ccncc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000575944816 324513528 /nfs/dbraw/zinc/51/35/28/324513528.db2.gz VUGOLBKLICURNN-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCc3ccc(O)cc3C1)CCCC2 ZINC000576579959 324642132 /nfs/dbraw/zinc/64/21/32/324642132.db2.gz OWYRCVWLNWLPNF-UHFFFAOYSA-N 0 0 325.368 3.137 10 5 EGBERN C[C@H]1CCCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577095928 324742030 /nfs/dbraw/zinc/74/20/30/324742030.db2.gz JUEQXBCMTCTZGQ-QWRGUYRKSA-N 0 0 326.343 3.358 10 5 EGBERN COc1ccc(OCc2csc(N(C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000578589956 324989176 /nfs/dbraw/zinc/98/91/76/324989176.db2.gz MZYBYJWGWCGVFM-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC12CCCC2 ZINC000580623791 325274933 /nfs/dbraw/zinc/27/49/33/325274933.db2.gz HRWGBXDTEXSBGE-HNNXBMFYSA-N 0 0 327.384 3.315 10 5 EGBERN CC(C)CO[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000580666142 325280911 /nfs/dbraw/zinc/28/09/11/325280911.db2.gz CWPSBWLILWLBQH-SECBINFHSA-N 0 0 345.193 3.357 10 5 EGBERN COc1cc(Cc2noc(-c3[nH]ccc3C3CC3)n2)ccc1[N+](=O)[O-] ZINC000580883564 325305354 /nfs/dbraw/zinc/30/53/54/325305354.db2.gz RBJBKBYTLKUJSE-UHFFFAOYSA-N 0 0 340.339 3.450 10 5 EGBERN COCC1(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000580893856 325306167 /nfs/dbraw/zinc/30/61/67/325306167.db2.gz BGDOABISNVKETP-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN CC1(C2(NC(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)CC1 ZINC000583189104 325502375 /nfs/dbraw/zinc/50/23/75/325502375.db2.gz AUJBMCMMSIPIQX-UHFFFAOYSA-N 0 0 342.399 3.251 10 5 EGBERN O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000000173454 452527676 /nfs/dbraw/zinc/52/76/76/452527676.db2.gz ZECTYJSMRKVTKQ-UHFFFAOYSA-N 0 0 340.314 3.231 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NCc1cc(OC)c(OC)c(OC)c1 ZINC000000243101 452545417 /nfs/dbraw/zinc/54/54/17/452545417.db2.gz ZCHYMYOHOODNIT-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000005107734 452838017 /nfs/dbraw/zinc/83/80/17/452838017.db2.gz LVJBRSJRKPRUAM-HUUCEWRRSA-N 0 0 342.395 3.500 10 5 EGBERN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000005107753 452838780 /nfs/dbraw/zinc/83/87/80/452838780.db2.gz LVJBRSJRKPRUAM-CABCVRRESA-N 0 0 342.395 3.500 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@H]2CC=CCC2)C1=O ZINC000600704079 460573455 /nfs/dbraw/zinc/57/34/55/460573455.db2.gz XRZOSSHOZLMLII-UGSOOPFHSA-N 0 0 343.383 3.108 10 5 EGBERN CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000006881845 453002686 /nfs/dbraw/zinc/00/26/86/453002686.db2.gz NXHKZFOTLVIQGC-ZDUSSCGKSA-N 0 0 338.770 3.497 10 5 EGBERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007943175 453136753 /nfs/dbraw/zinc/13/67/53/453136753.db2.gz UHOAFQMIBDEAIC-UHFFFAOYSA-N 0 0 330.388 3.245 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc([N+](=O)[O-])c1 ZINC000600760578 460594000 /nfs/dbraw/zinc/59/40/00/460594000.db2.gz WAEDIZCBWKYADJ-KSSFIOAISA-N 0 0 346.383 3.176 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000015271345 453563001 /nfs/dbraw/zinc/56/30/01/453563001.db2.gz RPXSWQXGZVMODT-UHFFFAOYSA-N 0 0 346.314 3.344 10 5 EGBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000016086277 453593391 /nfs/dbraw/zinc/59/33/91/453593391.db2.gz CWPOOVHJUOZGCQ-SNVBAGLBSA-N 0 0 340.788 3.288 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600803326 460610262 /nfs/dbraw/zinc/61/02/62/460610262.db2.gz GTEAJLNCNYBCEV-ZRMMWKCHSA-N 0 0 346.383 3.184 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC12CC2 ZINC000600807270 460610700 /nfs/dbraw/zinc/61/07/00/460610700.db2.gz ZFMSEVNLLSLTDZ-CQSZACIVSA-N 0 0 331.416 3.483 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(F)cc1 ZINC000016632634 453617114 /nfs/dbraw/zinc/61/71/14/453617114.db2.gz PQCVIZOJDBOHEY-GFCCVEGCSA-N 0 0 331.347 3.193 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC23CC3)cc1OC ZINC000600807536 460611163 /nfs/dbraw/zinc/61/11/63/460611163.db2.gz ZPHFAPNYDCSWFC-GFCCVEGCSA-N 0 0 348.399 3.312 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600808539 460611967 /nfs/dbraw/zinc/61/19/67/460611967.db2.gz LYFMJZSCAMTBKO-QAVQXKDTSA-N 0 0 332.356 3.142 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000616764483 460617361 /nfs/dbraw/zinc/61/73/61/460617361.db2.gz HASQKYCBKCTXFL-CYBMUJFWSA-N 0 0 338.404 3.156 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000181655997 455368690 /nfs/dbraw/zinc/36/86/90/455368690.db2.gz NIUMVMRCYISKCQ-UHFFFAOYSA-N 0 0 342.742 3.121 10 5 EGBERN COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000029796121 453831605 /nfs/dbraw/zinc/83/16/05/453831605.db2.gz RZLXDTQHGKWJHL-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 ZINC000030468171 453836000 /nfs/dbraw/zinc/83/60/00/453836000.db2.gz NGSVCFBRGYCSAR-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC000066522749 453849523 /nfs/dbraw/zinc/84/95/23/453849523.db2.gz AKGIVHYUMRYRHG-ZDUSSCGKSA-N 0 0 342.330 3.491 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000081280186 453855540 /nfs/dbraw/zinc/85/55/40/453855540.db2.gz BEFSKHAXJRIBTJ-UHFFFAOYSA-N 0 0 332.360 3.098 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCc2c(Br)cccc2C1 ZINC000066811684 453876505 /nfs/dbraw/zinc/87/65/05/453876505.db2.gz NCTOSWHDYRBBMG-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000036318163 453927564 /nfs/dbraw/zinc/92/75/64/453927564.db2.gz XRNFZTGZSDSSCY-UHFFFAOYSA-N 0 0 334.372 3.082 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000083012332 453932962 /nfs/dbraw/zinc/93/29/62/453932962.db2.gz HVIVKSFXAXYUNJ-UHFFFAOYSA-N 0 0 331.397 3.202 10 5 EGBERN C[C@@H](NC(=O)N1CCC[C@@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000083195995 453942697 /nfs/dbraw/zinc/94/26/97/453942697.db2.gz IGGIADWBGNRBHB-RDTXWAMCSA-N 0 0 347.415 3.258 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000042180479 453999273 /nfs/dbraw/zinc/99/92/73/453999273.db2.gz ONROVHSCTQOIRQ-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CCN(Cc1ccccc1)C(=O)CNc1cc([N+](=O)[O-])ccc1OC ZINC000055618715 453999755 /nfs/dbraw/zinc/99/97/55/453999755.db2.gz XNHYJUICERMRFE-UHFFFAOYSA-N 0 0 343.383 3.064 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2c1cccc2F ZINC000055692317 454006905 /nfs/dbraw/zinc/00/69/05/454006905.db2.gz HGUQFQAVWCITHS-HNNXBMFYSA-N 0 0 343.358 3.340 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000085332999 454022920 /nfs/dbraw/zinc/02/29/20/454022920.db2.gz MKROXRRYNPHWLU-NSHDSACASA-N 0 0 339.417 3.481 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000042958406 454033577 /nfs/dbraw/zinc/03/35/77/454033577.db2.gz BWQNGCWYMCXEHM-MRXNPFEDSA-N 0 0 325.368 3.472 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccccc1 ZINC000068769512 454051395 /nfs/dbraw/zinc/05/13/95/454051395.db2.gz NCKYYHGFMIMMIN-KRWDZBQOSA-N 0 0 348.362 3.360 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087057144 454059409 /nfs/dbraw/zinc/05/94/09/454059409.db2.gz YIVFRAJKLGYNPS-LBPRGKRZSA-N 0 0 328.372 3.334 10 5 EGBERN COC(=O)/C=C/c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1 ZINC000043930563 454083412 /nfs/dbraw/zinc/08/34/12/454083412.db2.gz VJRAKKYCDNWDGI-XVNBXDOJSA-N 0 0 345.380 3.464 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC(c2ccccc2)C1 ZINC000077416123 454104127 /nfs/dbraw/zinc/10/41/27/454104127.db2.gz DRTKKLZLSWCKEU-UHFFFAOYSA-N 0 0 325.368 3.340 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184554533 455402096 /nfs/dbraw/zinc/40/20/96/455402096.db2.gz OFTBAFRPPBVMGA-VIFPVBQESA-N 0 0 347.400 3.100 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088746024 454118422 /nfs/dbraw/zinc/11/84/22/454118422.db2.gz WWIYSTOPFZVRBR-LLVKDONJSA-N 0 0 334.326 3.267 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077780115 454156033 /nfs/dbraw/zinc/15/60/33/454156033.db2.gz UFBAVCBXZJCWFN-CXAGYDPISA-N 0 0 337.420 3.142 10 5 EGBERN COc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000045442590 454160506 /nfs/dbraw/zinc/16/05/06/454160506.db2.gz MNMBTEMWHHHIGT-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN CCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC000077939784 454171459 /nfs/dbraw/zinc/17/14/59/454171459.db2.gz SHENIORYDFHGFV-UHFFFAOYSA-N 0 0 345.193 3.041 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2ccccc2F)c1 ZINC000058268249 454176109 /nfs/dbraw/zinc/17/61/09/454176109.db2.gz KZDOIJIXWFCIGD-MRXNPFEDSA-N 0 0 327.315 3.331 10 5 EGBERN CCOc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000070903588 454184193 /nfs/dbraw/zinc/18/41/93/454184193.db2.gz GLODUWHIGXMNMG-CYBMUJFWSA-N 0 0 344.367 3.191 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119445525 454195336 /nfs/dbraw/zinc/19/53/36/454195336.db2.gz IQEYIYQWDBPXGP-AWEZNQCLSA-N 0 0 326.780 3.164 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000160091102 455428583 /nfs/dbraw/zinc/42/85/83/455428583.db2.gz HYYKRVRHNYUHOS-UHFFFAOYSA-N 0 0 342.395 3.292 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078240008 454215252 /nfs/dbraw/zinc/21/52/52/454215252.db2.gz KNAMASNTEICXGQ-UHFFFAOYSA-N 0 0 348.380 3.323 10 5 EGBERN Cc1cnc(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])s1 ZINC000078373207 454243324 /nfs/dbraw/zinc/24/33/24/454243324.db2.gz HUMNBCZULRGLFX-UHFFFAOYSA-N 0 0 348.428 3.153 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000078426548 454251756 /nfs/dbraw/zinc/25/17/56/454251756.db2.gz KEIZURJJTLQXPU-DYIUODAASA-N 0 0 334.372 3.151 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000131504811 454258624 /nfs/dbraw/zinc/25/86/24/454258624.db2.gz BJAQGSOMFCEFJB-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1O ZINC000612449039 460631575 /nfs/dbraw/zinc/63/15/75/460631575.db2.gz AJAZTKXJNNCROY-GDBMZVCRSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000090371012 454298924 /nfs/dbraw/zinc/29/89/24/454298924.db2.gz LBJYXMBJEWVINR-UHFFFAOYSA-N 0 0 328.250 3.030 10 5 EGBERN Cc1ccnc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000120419954 454299732 /nfs/dbraw/zinc/29/97/32/454299732.db2.gz LRDDQTFJWIFIQH-CYBMUJFWSA-N 0 0 348.790 3.394 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000072595123 454314462 /nfs/dbraw/zinc/31/44/62/454314462.db2.gz GWAUHUASDSOYNY-NSHDSACASA-N 0 0 344.371 3.413 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2noc(C3CC3)n2)c(C(F)(F)F)c1 ZINC000060823231 454315278 /nfs/dbraw/zinc/31/52/78/454315278.db2.gz IZMGFYGNIPWGLS-UHFFFAOYSA-N 0 0 329.234 3.453 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000061436303 454339813 /nfs/dbraw/zinc/33/98/13/454339813.db2.gz SDYNHYWGRFUZKA-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN CC1(CNC(=O)c2cc3ccccc3c3cccnc23)OCCCO1 ZINC000191096985 455442761 /nfs/dbraw/zinc/44/27/61/455442761.db2.gz IOUANKRTYHQOQR-UHFFFAOYSA-N 0 0 336.391 3.271 10 5 EGBERN CCOc1ccc(NC(=O)CN2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897300 454360516 /nfs/dbraw/zinc/36/05/16/454360516.db2.gz PEDYIMAJLSEYIO-OLZOCXBDSA-N 0 0 335.404 3.052 10 5 EGBERN Cc1ccccc1C(=O)NC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000063258671 454399572 /nfs/dbraw/zinc/39/95/72/454399572.db2.gz UQBGQZAMKXSFIL-UHFFFAOYSA-N 0 0 345.424 3.364 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097094979 454405389 /nfs/dbraw/zinc/40/53/89/454405389.db2.gz CFPVLHPPNFFLBD-SNVBAGLBSA-N 0 0 346.391 3.132 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000063600332 454428875 /nfs/dbraw/zinc/42/88/75/454428875.db2.gz FGQRRTHZENYCBD-VTXSZYRJSA-N 0 0 348.374 3.150 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc(Cl)c1 ZINC000048297636 454468904 /nfs/dbraw/zinc/46/89/04/454468904.db2.gz HSQPNBZZPRCWKI-MRVPVSSYSA-N 0 0 337.738 3.461 10 5 EGBERN Cc1noc(C)c1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377131 454552208 /nfs/dbraw/zinc/55/22/08/454552208.db2.gz GFFJKHOCSYCPHP-SNVBAGLBSA-N 0 0 329.356 3.110 10 5 EGBERN Cc1noc(C)c1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377129 454552256 /nfs/dbraw/zinc/55/22/56/454552256.db2.gz GFFJKHOCSYCPHP-JTQLQIEISA-N 0 0 329.356 3.110 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000049749647 454560016 /nfs/dbraw/zinc/56/00/16/454560016.db2.gz MFUQGHXYGLMMGN-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCCCCOCc1ccccc1 ZINC000050423258 454586475 /nfs/dbraw/zinc/58/64/75/454586475.db2.gz FTSDRIBXNWYCSB-UHFFFAOYSA-N 0 0 342.395 3.251 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000092611304 454594680 /nfs/dbraw/zinc/59/46/80/454594680.db2.gz RDVRBVMGTHPMKQ-UHFFFAOYSA-N 0 0 347.346 3.117 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCC(=O)OC2CCCCC2)c1 ZINC000092665185 454604932 /nfs/dbraw/zinc/60/49/32/454604932.db2.gz ZPEAQKJHJJDBDX-UHFFFAOYSA-N 0 0 326.324 3.030 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000074660771 454615020 /nfs/dbraw/zinc/61/50/20/454615020.db2.gz LDPRJIARYDIOJZ-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000074671398 454617265 /nfs/dbraw/zinc/61/72/65/454617265.db2.gz NPOYYEAMVBHSIY-UHFFFAOYSA-N 0 0 333.344 3.035 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2nc3ccccc3n2C)c1 ZINC000081017446 454671006 /nfs/dbraw/zinc/67/10/06/454671006.db2.gz CKTZYBTXHSAYOB-UHFFFAOYSA-N 0 0 344.346 3.266 10 5 EGBERN CCc1nccn1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216557 454685572 /nfs/dbraw/zinc/68/55/72/454685572.db2.gz LXUKRIVQKNBRHV-MRXNPFEDSA-N 0 0 344.415 3.199 10 5 EGBERN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298298 454700561 /nfs/dbraw/zinc/70/05/61/454700561.db2.gz QSKMHCQYVXWPQL-GFCCVEGCSA-N 0 0 326.418 3.068 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000162075593 454749766 /nfs/dbraw/zinc/74/97/66/454749766.db2.gz IJELLDRJESICBC-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN CCc1ccccc1NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153096028 454760551 /nfs/dbraw/zinc/76/05/51/454760551.db2.gz HDXZMKHWPJUNFN-UHFFFAOYSA-N 0 0 339.395 3.154 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000162236256 454761973 /nfs/dbraw/zinc/76/19/73/454761973.db2.gz KRJVSVURSDKYOW-CQSZACIVSA-N 0 0 332.381 3.178 10 5 EGBERN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000124867017 454777690 /nfs/dbraw/zinc/77/76/90/454777690.db2.gz LTKMRTMHLIJYEZ-UHFFFAOYSA-N 0 0 344.367 3.489 10 5 EGBERN Nc1c(C(=O)N2CC=C(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000176767716 454781021 /nfs/dbraw/zinc/78/10/21/454781021.db2.gz CJWRMYRFXWISAF-UHFFFAOYSA-N 0 0 329.381 3.168 10 5 EGBERN Cc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000162565641 454784061 /nfs/dbraw/zinc/78/40/61/454784061.db2.gz QYXXNQMDFXOQJC-UHFFFAOYSA-N 0 0 332.400 3.182 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1ccnc1 ZINC000125005774 454789799 /nfs/dbraw/zinc/78/97/99/454789799.db2.gz GAIZULGNWOXVLM-ABAIWWIYSA-N 0 0 348.790 3.168 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000162640663 454790157 /nfs/dbraw/zinc/79/01/57/454790157.db2.gz QUWHMMXIUKLFLS-HNNXBMFYSA-N 0 0 329.360 3.385 10 5 EGBERN CS(=O)(=O)c1cc(NC[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000125027235 454791454 /nfs/dbraw/zinc/79/14/54/454791454.db2.gz ZPEWINBDKSLFQT-ZFWWWQNUSA-N 0 0 346.408 3.214 10 5 EGBERN COc1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000125260476 454808271 /nfs/dbraw/zinc/80/82/71/454808271.db2.gz OWIXARZJXXXXEH-MRXNPFEDSA-N 0 0 334.397 3.238 10 5 EGBERN C[C@](O)(CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000153777915 454832473 /nfs/dbraw/zinc/83/24/73/454832473.db2.gz GLRLVKKAQGBEBC-AWEZNQCLSA-N 0 0 343.717 3.241 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1nccs1)C(C)C ZINC000163394860 454844511 /nfs/dbraw/zinc/84/45/11/454844511.db2.gz MFJWBTNHZARNKI-UHFFFAOYSA-N 0 0 349.412 3.153 10 5 EGBERN O=C(NCCCCOCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000125914403 454855823 /nfs/dbraw/zinc/85/58/23/454855823.db2.gz DHRQLCNREOEURQ-UHFFFAOYSA-N 0 0 346.358 3.461 10 5 EGBERN O=C(N[C@H]1CCc2c1cccc2O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000111604000 454870157 /nfs/dbraw/zinc/87/01/57/454870157.db2.gz PAVLLVKYWCBTNY-INIZCTEOSA-N 0 0 337.335 3.199 10 5 EGBERN CCc1nc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000149856731 454879599 /nfs/dbraw/zinc/87/95/99/454879599.db2.gz QSXPWNABLPVNSG-UHFFFAOYSA-N 0 0 325.415 3.256 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCC[C@@H]3CCCC[C@H]3O)cc2N1 ZINC000154518149 454904102 /nfs/dbraw/zinc/90/41/02/454904102.db2.gz WVIWSKUNOKWEGU-YVEFUNNKSA-N 0 0 347.415 3.223 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177784956 454904848 /nfs/dbraw/zinc/90/48/48/454904848.db2.gz MMZKOXYLYQTFHF-OAHLLOKOSA-N 0 0 331.397 3.349 10 5 EGBERN O=C(C[C@H]1CCCCO1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182306962 455485442 /nfs/dbraw/zinc/48/54/42/455485442.db2.gz MQTJTWDHJJOMNK-SNVBAGLBSA-N 0 0 343.177 3.255 10 5 EGBERN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1c(C)cccc1C ZINC000170598189 454937761 /nfs/dbraw/zinc/93/77/61/454937761.db2.gz NAFYQDWJNAQHEI-QGZVFWFLSA-N 0 0 328.368 3.216 10 5 EGBERN CCCCc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000127316713 454953675 /nfs/dbraw/zinc/95/36/75/454953675.db2.gz NWBCFVAZKXRWLG-UHFFFAOYSA-N 0 0 328.368 3.290 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127576638 454978835 /nfs/dbraw/zinc/97/88/35/454978835.db2.gz CKJHOCNSDSFDKN-MEDUHNTESA-N 0 0 338.791 3.015 10 5 EGBERN Cc1c2ccccc2oc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115099039 454996989 /nfs/dbraw/zinc/99/69/89/454996989.db2.gz GNLGMTFICBNOAM-UHFFFAOYSA-N 0 0 340.335 3.345 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000170947744 455004289 /nfs/dbraw/zinc/00/42/89/455004289.db2.gz PYABJIFZDLOYHM-SJORKVTESA-N 0 0 326.352 3.023 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000127926351 455010145 /nfs/dbraw/zinc/01/01/45/455010145.db2.gz ZGPFQAZZDFXGHW-UHFFFAOYSA-N 0 0 343.387 3.346 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000171054933 455022669 /nfs/dbraw/zinc/02/26/69/455022669.db2.gz GTBPYNNECOCAGI-LBPRGKRZSA-N 0 0 329.356 3.353 10 5 EGBERN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000115668629 455025272 /nfs/dbraw/zinc/02/52/72/455025272.db2.gz BABBTYTVJRWAPD-CYBMUJFWSA-N 0 0 328.372 3.283 10 5 EGBERN CCCCN([C@H](C)CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151781470 455030397 /nfs/dbraw/zinc/03/03/97/455030397.db2.gz XWCARTPJEIFQTA-CYBMUJFWSA-N 0 0 328.434 3.325 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000151835769 455037799 /nfs/dbraw/zinc/03/77/99/455037799.db2.gz LYAXWUMKFXWLQC-PIGZYNQJSA-N 0 0 344.342 3.198 10 5 EGBERN O=C(NCCOc1cccc(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155958822 455066817 /nfs/dbraw/zinc/06/68/17/455066817.db2.gz ILFOTJIVBHBQHZ-UHFFFAOYSA-N 0 0 343.314 3.024 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152241571 455091597 /nfs/dbraw/zinc/09/15/97/455091597.db2.gz DBXXDXGYGMKKJJ-PXAZEXFGSA-N 0 0 344.342 3.336 10 5 EGBERN Cc1nc2cc(NC(=O)NCc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000129142418 455099268 /nfs/dbraw/zinc/09/92/68/455099268.db2.gz HHWNPZAJZVVNOP-UHFFFAOYSA-N 0 0 326.312 3.366 10 5 EGBERN Cc1c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152435870 455118485 /nfs/dbraw/zinc/11/84/85/455118485.db2.gz RWSUTOAOBSQQLT-SUMWQHHRSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1c(NC(=O)NCc2ccccc2[N+](=O)[O-])cccc1N(C)C ZINC000180148102 455139732 /nfs/dbraw/zinc/13/97/32/455139732.db2.gz SLKBKHRKMRSCBS-UHFFFAOYSA-N 0 0 328.372 3.291 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC2(CC2)c2ccccc21 ZINC000172479534 455156754 /nfs/dbraw/zinc/15/67/54/455156754.db2.gz RGGCFEGCUQILPW-UHFFFAOYSA-N 0 0 337.379 3.399 10 5 EGBERN C[C@@H](C(=O)N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183408648 455289592 /nfs/dbraw/zinc/28/95/92/455289592.db2.gz ZWLLDIXWZDTFQL-BMIGLBTASA-N 0 0 330.315 3.087 10 5 EGBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)c2ccccc2O1 ZINC000172691398 455173133 /nfs/dbraw/zinc/17/31/33/455173133.db2.gz HVKMHMGFCMPBFK-CYBMUJFWSA-N 0 0 327.340 3.116 10 5 EGBERN Cc1cnc(CC[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000157348428 455186632 /nfs/dbraw/zinc/18/66/32/455186632.db2.gz NQODUVIWKZSCGU-UHFFFAOYSA-N 0 0 332.385 3.175 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnc(C)s1 ZINC000182930940 455194033 /nfs/dbraw/zinc/19/40/33/455194033.db2.gz IEBWLVFRQIEFPK-DHZHZOJOSA-N 0 0 331.397 3.422 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4cccs4)C3)nc2c1 ZINC000157501332 455201371 /nfs/dbraw/zinc/20/13/71/455201371.db2.gz XVLJZKROEBUVAQ-AWEZNQCLSA-N 0 0 345.380 3.371 10 5 EGBERN Cc1c(C(=O)N[C@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000172962402 455214305 /nfs/dbraw/zinc/21/43/05/455214305.db2.gz AXIDGAIJTLONMA-CYBMUJFWSA-N 0 0 328.368 3.238 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nc[nH]n2)c1 ZINC000157664648 455218116 /nfs/dbraw/zinc/21/81/16/455218116.db2.gz IEZYNSMMPZHNNY-UHFFFAOYSA-N 0 0 339.355 3.391 10 5 EGBERN C[C@](O)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000190554185 455342293 /nfs/dbraw/zinc/34/22/93/455342293.db2.gz VIVWXDPTCDPYSE-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C2CCOCC2)cc1 ZINC000601000319 460670335 /nfs/dbraw/zinc/67/03/35/460670335.db2.gz QPPNMVHIBRCNNU-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000174490992 455396508 /nfs/dbraw/zinc/39/65/08/455396508.db2.gz MYBYSDWMKJSRFF-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000159728327 455398281 /nfs/dbraw/zinc/39/82/81/455398281.db2.gz FUOVVAOKDGTGLZ-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000246216611 455450563 /nfs/dbraw/zinc/45/05/63/455450563.db2.gz OSFOOOGDEGDLJJ-APHBMKBZSA-N 0 0 328.393 3.423 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]c2cc(F)ccc21 ZINC000184814884 455453608 /nfs/dbraw/zinc/45/36/08/455453608.db2.gz OIOYYVVGBDPQBN-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](CC)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000160529745 455470873 /nfs/dbraw/zinc/47/08/73/455470873.db2.gz AADCDVRGQMBVJO-CYBMUJFWSA-N 0 0 347.371 3.479 10 5 EGBERN O=C(c1ccc2c(c1O)CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000184960265 455478686 /nfs/dbraw/zinc/47/86/86/455478686.db2.gz VRKDSCPBIXXCFM-UHFFFAOYSA-N 0 0 338.363 3.382 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160600941 455478924 /nfs/dbraw/zinc/47/89/24/455478924.db2.gz HTXFXIOUHFMLGZ-MRXNPFEDSA-N 0 0 341.415 3.250 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160601048 455479127 /nfs/dbraw/zinc/47/91/27/455479127.db2.gz HTXFXIOUHFMLGZ-INIZCTEOSA-N 0 0 341.415 3.250 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cccc2[C@@H]1C ZINC000184968574 455479561 /nfs/dbraw/zinc/47/95/61/455479561.db2.gz GDAQVYGQESECIU-FNDVETGQSA-N 0 0 325.368 3.403 10 5 EGBERN COCCC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000182294241 455481823 /nfs/dbraw/zinc/48/18/23/455481823.db2.gz JGIITSAURLZYHX-UHFFFAOYSA-N 0 0 343.177 3.113 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000191601180 455503080 /nfs/dbraw/zinc/50/30/80/455503080.db2.gz LNLDSJMVUOOMOG-OAHLLOKOSA-N 0 0 328.372 3.082 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000191697706 455511245 /nfs/dbraw/zinc/51/12/45/455511245.db2.gz JAOKYGNFFQGTSY-AAEUAGOBSA-N 0 0 347.396 3.016 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000176035657 455531074 /nfs/dbraw/zinc/53/10/74/455531074.db2.gz YXRPCOMEPOQNOU-DOMZBBRYSA-N 0 0 341.367 3.397 10 5 EGBERN CCC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000192487004 455629943 /nfs/dbraw/zinc/62/99/43/455629943.db2.gz WPNCPKPAJQJKKQ-LBPRGKRZSA-N 0 0 336.388 3.143 10 5 EGBERN O=C(NCc1nc2ccccc2n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000186025393 455678955 /nfs/dbraw/zinc/67/89/55/455678955.db2.gz OVUGGEJTEMHSPQ-UHFFFAOYSA-N 0 0 336.351 3.209 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278077145 455751758 /nfs/dbraw/zinc/75/17/58/455751758.db2.gz OSJSLGHFGUHVMI-VIFPVBQESA-N 0 0 347.293 3.410 10 5 EGBERN COC1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1 ZINC000278120086 455763371 /nfs/dbraw/zinc/76/33/71/455763371.db2.gz SPPIRSBRAKAIRZ-UHFFFAOYSA-N 0 0 336.391 3.393 10 5 EGBERN COCc1ncsc1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000285266007 455814519 /nfs/dbraw/zinc/81/45/19/455814519.db2.gz DXQSFVPIYZPESN-JTQLQIEISA-N 0 0 336.369 3.424 10 5 EGBERN C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(F)ccc1F ZINC000285445698 455847906 /nfs/dbraw/zinc/84/79/06/455847906.db2.gz XZDYRSIZSCAMFZ-KRWDZBQOSA-N 0 0 336.338 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2ncn(CC(F)(F)F)n2)c(Cl)c1 ZINC000195171240 455929718 /nfs/dbraw/zinc/92/97/18/455929718.db2.gz CNFFMLXDVJDUHQ-UHFFFAOYSA-N 0 0 335.673 3.014 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261767424 455943344 /nfs/dbraw/zinc/94/33/44/455943344.db2.gz RUAXWBZYSPUNJQ-GOSISDBHSA-N 0 0 329.375 3.189 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000280520704 455988435 /nfs/dbraw/zinc/98/84/35/455988435.db2.gz GCYWOOCIYLXUEU-SECBINFHSA-N 0 0 343.177 3.031 10 5 EGBERN CC(C)c1ccc(C(=O)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000188101302 455996955 /nfs/dbraw/zinc/99/69/55/455996955.db2.gz MVEHVNLFQPQIKZ-UHFFFAOYSA-N 0 0 342.399 3.109 10 5 EGBERN CC(C)c1ccc(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000188127088 456004031 /nfs/dbraw/zinc/00/40/31/456004031.db2.gz LZFKJOWUYXLGAW-UHFFFAOYSA-N 0 0 327.384 3.476 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCc2cccc(Br)c2C1 ZINC000301275513 456078581 /nfs/dbraw/zinc/07/85/81/456078581.db2.gz INAWHDBTELPNHT-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000301295975 456083536 /nfs/dbraw/zinc/08/35/36/456083536.db2.gz XOMCYVITOLGHDZ-UHFFFAOYSA-N 0 0 347.806 3.428 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000301296646 456084872 /nfs/dbraw/zinc/08/48/72/456084872.db2.gz XZVJPGLHGWIYJS-LBPRGKRZSA-N 0 0 328.155 3.442 10 5 EGBERN Cc1ccc(N2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cc1 ZINC000301414689 456110285 /nfs/dbraw/zinc/11/02/85/456110285.db2.gz BDJNHLNSOJEADR-UHFFFAOYSA-N 0 0 326.400 3.323 10 5 EGBERN COC(=O)c1cccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000301631205 456169105 /nfs/dbraw/zinc/16/91/05/456169105.db2.gz IXWAGQMTGRHOQE-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000273111030 456181131 /nfs/dbraw/zinc/18/11/31/456181131.db2.gz GGJRDBCIHBPABT-CYBMUJFWSA-N 0 0 336.388 3.083 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000301674403 456181163 /nfs/dbraw/zinc/18/11/63/456181163.db2.gz RRGSMDUXGGKQHA-CQSZACIVSA-N 0 0 342.399 3.388 10 5 EGBERN C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000297344673 456192636 /nfs/dbraw/zinc/19/26/36/456192636.db2.gz BCRPPYCDLONUFP-GUYCJALGSA-N 0 0 337.383 3.427 10 5 EGBERN CO[C@@H]1CCC[C@@H](Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000301771570 456211224 /nfs/dbraw/zinc/21/12/24/456211224.db2.gz JRQXMQSEMZSXJY-ZIAGYGMSSA-N 0 0 335.404 3.103 10 5 EGBERN CCC(C)(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301811327 456220530 /nfs/dbraw/zinc/22/05/30/456220530.db2.gz XNFGRYRJBXYMSY-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN Cc1cc(NC(=O)C2(CCF)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290072734 456231529 /nfs/dbraw/zinc/23/15/29/456231529.db2.gz JIDNMXFJULNMJX-UHFFFAOYSA-N 0 0 332.335 3.167 10 5 EGBERN Cc1c(CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)cnn1C ZINC000301847864 456231711 /nfs/dbraw/zinc/23/17/11/456231711.db2.gz VDWJEZWKLJNGMT-UHFFFAOYSA-N 0 0 338.371 3.014 10 5 EGBERN COCCOc1cc(C)ccc1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601127727 460720638 /nfs/dbraw/zinc/72/06/38/460720638.db2.gz OJXLERKDOMDEQV-UHFFFAOYSA-N 0 0 335.335 3.075 10 5 EGBERN CC(C)(C)c1csc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)n1 ZINC000301952843 456258300 /nfs/dbraw/zinc/25/83/00/456258300.db2.gz CMNFVNNFILGZPN-UHFFFAOYSA-N 0 0 346.416 3.046 10 5 EGBERN Cc1ccc(C[C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000301993956 456266638 /nfs/dbraw/zinc/26/66/38/456266638.db2.gz NSHDDGISZVUJFT-ZDUSSCGKSA-N 0 0 325.372 3.297 10 5 EGBERN C[C@@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000302003237 456267684 /nfs/dbraw/zinc/26/76/84/456267684.db2.gz TUITWFAYLPZARU-TXEJJXNPSA-N 0 0 348.428 3.277 10 5 EGBERN Cc1cc(NC[C@@H](O)Cc2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302022629 456270824 /nfs/dbraw/zinc/27/08/24/456270824.db2.gz OQSNUYVRUXWKTA-HNNXBMFYSA-N 0 0 337.379 3.467 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCc3ccccc3C2)c1 ZINC000302095371 456285844 /nfs/dbraw/zinc/28/58/44/456285844.db2.gz NVJNZHAQEIYVQQ-UHFFFAOYSA-N 0 0 326.352 3.334 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC=C(Br)C1 ZINC000281734773 456305405 /nfs/dbraw/zinc/30/54/05/456305405.db2.gz IEZTXOIABZFJRB-UHFFFAOYSA-N 0 0 326.150 3.111 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000275761462 456306540 /nfs/dbraw/zinc/30/65/40/456306540.db2.gz FPGAITPXYCOXNZ-GDLCADMTSA-N 0 0 338.791 3.100 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H](C)c2nccs2)c1 ZINC000302182109 456309164 /nfs/dbraw/zinc/30/91/64/456309164.db2.gz SAIBVJZARRRRRZ-SECBINFHSA-N 0 0 325.365 3.439 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(CO)cs2)cc1C(F)(F)F ZINC000302283794 456330941 /nfs/dbraw/zinc/33/09/41/456330941.db2.gz JOXSOSWBUNVUST-UHFFFAOYSA-N 0 0 333.291 3.175 10 5 EGBERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000352830452 456344761 /nfs/dbraw/zinc/34/47/61/456344761.db2.gz KDXKMYGJHAURRU-SECBINFHSA-N 0 0 341.154 3.042 10 5 EGBERN Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275903904 456346510 /nfs/dbraw/zinc/34/65/10/456346510.db2.gz NPTOONXAHWDKSI-KOMQPUFPSA-N 0 0 342.399 3.100 10 5 EGBERN CCOC[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000275928676 456352185 /nfs/dbraw/zinc/35/21/85/456352185.db2.gz ZOFVQQRKSASXPB-LBPRGKRZSA-N 0 0 340.807 3.445 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(OC(F)(F)F)cn1)CC2 ZINC000302588460 456363447 /nfs/dbraw/zinc/36/34/47/456363447.db2.gz VNGQEMSCIOLXJZ-UHFFFAOYSA-N 0 0 339.273 3.451 10 5 EGBERN CCOCc1nc([C@H](C)Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])no1 ZINC000290581752 456372939 /nfs/dbraw/zinc/37/29/39/456372939.db2.gz CBGMYPLFZIZCHC-JTQLQIEISA-N 0 0 348.359 3.280 10 5 EGBERN Cc1cccc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[N+](=O)[O-] ZINC000302687908 456375541 /nfs/dbraw/zinc/37/55/41/456375541.db2.gz BPOCVBBYSIMOHR-MRXNPFEDSA-N 0 0 343.358 3.255 10 5 EGBERN CCc1nn(C)c(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302703733 456379654 /nfs/dbraw/zinc/37/96/54/456379654.db2.gz ISHHBVZDIAEYEG-SNVBAGLBSA-N 0 0 334.342 3.306 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(c2ncccn2)CC1 ZINC000302702034 456379873 /nfs/dbraw/zinc/37/98/73/456379873.db2.gz VBWFLYFYFGYSRU-UHFFFAOYSA-N 0 0 347.806 3.428 10 5 EGBERN C[C@H]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)C1 ZINC000302739713 456388476 /nfs/dbraw/zinc/38/84/76/456388476.db2.gz CJHMOLNEUJZNSS-LRDDRELGSA-N 0 0 338.429 3.015 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC1(C)C ZINC000298204118 456391290 /nfs/dbraw/zinc/39/12/90/456391290.db2.gz UEHIIROGSBCBRD-HNNXBMFYSA-N 0 0 335.404 3.082 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000347848623 456403855 /nfs/dbraw/zinc/40/38/55/456403855.db2.gz OEWSQYWCJOXGLF-BXKDBHETSA-N 0 0 348.346 3.486 10 5 EGBERN CCc1ccccc1NC(=O)CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302849884 456415521 /nfs/dbraw/zinc/41/55/21/456415521.db2.gz IHOZRPVXGOROIG-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)on1 ZINC000343117725 456415770 /nfs/dbraw/zinc/41/57/70/456415770.db2.gz KRULREHFHPITLO-UHFFFAOYSA-N 0 0 349.412 3.364 10 5 EGBERN C[C@@H]1CN(C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302853638 456416763 /nfs/dbraw/zinc/41/67/63/456416763.db2.gz JWWYAOIXJYPZGV-VXGBXAGGSA-N 0 0 325.384 3.034 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000282138183 456423167 /nfs/dbraw/zinc/42/31/67/456423167.db2.gz PTIFLOGXEIFORP-YSVLISHTSA-N 0 0 332.400 3.059 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccoc2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000282152788 456427008 /nfs/dbraw/zinc/42/70/08/456427008.db2.gz HTNCMHBGXPTETP-UHFFFAOYSA-N 0 0 344.323 3.413 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340401093 456439246 /nfs/dbraw/zinc/43/92/46/456439246.db2.gz NTLBQGDGHIBASF-KRWDZBQOSA-N 0 0 336.351 3.352 10 5 EGBERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298375345 456440067 /nfs/dbraw/zinc/44/00/67/456440067.db2.gz NFLMCKOVGZXBJS-UHFFFAOYSA-N 0 0 348.380 3.356 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC=C(c3ccco3)C2)c1 ZINC000343228292 456467305 /nfs/dbraw/zinc/46/73/05/456467305.db2.gz WNBIIPOAHANPIG-UHFFFAOYSA-N 0 0 328.324 3.268 10 5 EGBERN COC(=O)c1cc(NCCCc2cccc(C)n2)cc(C)c1[N+](=O)[O-] ZINC000343236140 456472201 /nfs/dbraw/zinc/47/22/01/456472201.db2.gz GMYDOMWNXZSPPT-UHFFFAOYSA-N 0 0 343.383 3.438 10 5 EGBERN COc1ccc2occ(C(=O)NCCc3ccccc3[N+](=O)[O-])c2c1 ZINC000337686819 456480755 /nfs/dbraw/zinc/48/07/55/456480755.db2.gz QSRJRFFKVHUQNZ-UHFFFAOYSA-N 0 0 340.335 3.322 10 5 EGBERN CCCCOCCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000276502970 456500392 /nfs/dbraw/zinc/50/03/92/456500392.db2.gz HXVBJLFDIJWUIW-UHFFFAOYSA-N 0 0 328.796 3.493 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000348138353 456509686 /nfs/dbraw/zinc/50/96/86/456509686.db2.gz ZIOYGCLHMVTUBV-UHFFFAOYSA-N 0 0 326.230 3.273 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000353286605 456612139 /nfs/dbraw/zinc/61/21/39/456612139.db2.gz MEMLTIJFAFFWEX-INIZCTEOSA-N 0 0 347.459 3.388 10 5 EGBERN COC(=O)c1c(F)cc(NCc2csc([N+](=O)[O-])c2)cc1F ZINC000337942644 456613729 /nfs/dbraw/zinc/61/37/29/456613729.db2.gz UBCYNJRYWAEACC-UHFFFAOYSA-N 0 0 328.296 3.333 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000353295018 456618442 /nfs/dbraw/zinc/61/84/42/456618442.db2.gz UCOZCVGIALCNOX-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCc1noc(C2CC2)n1 ZINC000343463188 456638088 /nfs/dbraw/zinc/63/80/88/456638088.db2.gz LPJWOJGWUJGHCN-UHFFFAOYSA-N 0 0 339.149 3.230 10 5 EGBERN Cc1c(CNC(=O)c2ccc3c(c2)CCCN3)cccc1[N+](=O)[O-] ZINC000326314119 456692125 /nfs/dbraw/zinc/69/21/25/456692125.db2.gz SSUXSOPLQJIUKK-UHFFFAOYSA-N 0 0 325.368 3.191 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1cn2c(n1)SCC2 ZINC000291756069 456746564 /nfs/dbraw/zinc/74/65/64/456746564.db2.gz AOURZMPVKNXFCU-UHFFFAOYSA-N 0 0 341.396 3.100 10 5 EGBERN C[C@@H](N[C@@H](C)c1nc(-c2cccnc2)no1)c1ccccc1[N+](=O)[O-] ZINC000340901308 456749421 /nfs/dbraw/zinc/74/94/21/456749421.db2.gz OWUWBXHHGLAYIX-NEPJUHHUSA-N 0 0 339.355 3.452 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000299684962 456764249 /nfs/dbraw/zinc/76/42/49/456764249.db2.gz XKWFEAJCWDYTGB-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cc(F)c(F)cc1Br ZINC000343905111 456782363 /nfs/dbraw/zinc/78/23/63/456782363.db2.gz BHKUKRONGIPMGP-UHFFFAOYSA-N 0 0 344.115 3.065 10 5 EGBERN COc1cccc(C(=O)Nc2nc3cc(C)ccc3[nH]2)c1[N+](=O)[O-] ZINC000344516350 456833913 /nfs/dbraw/zinc/83/39/13/456833913.db2.gz CKJMNPRLJZVIQZ-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN C[C@@]12CCN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]1C2(F)F ZINC000292029394 456835260 /nfs/dbraw/zinc/83/52/60/456835260.db2.gz UEOOWYBSXLJUNO-GXSJLCMTSA-N 0 0 348.147 3.234 10 5 EGBERN Cc1ccnc(N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC000301256201 456835036 /nfs/dbraw/zinc/83/50/36/456835036.db2.gz DLVIDPQDYIRCOO-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](c2ccccc2)O1 ZINC000348741351 456836455 /nfs/dbraw/zinc/83/64/55/456836455.db2.gz HMPUGVDAFVTHFW-ABAIWWIYSA-N 0 0 331.347 3.283 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000341327699 456848927 /nfs/dbraw/zinc/84/89/27/456848927.db2.gz UKJOFWDPXQIFSM-WMZOPIPTSA-N 0 0 344.342 3.203 10 5 EGBERN Cc1oc2ccccc2c1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000344825664 456864119 /nfs/dbraw/zinc/86/41/19/456864119.db2.gz NPDMMFJGCRDSCF-UHFFFAOYSA-N 0 0 339.351 3.204 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)[C@H](C)O1 ZINC000353718071 456870613 /nfs/dbraw/zinc/87/06/13/456870613.db2.gz HQPVZAXVTMHGNZ-UTLUCORTSA-N 0 0 346.305 3.252 10 5 EGBERN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000339008957 456898512 /nfs/dbraw/zinc/89/85/12/456898512.db2.gz DLXQRBVLPMUOMM-KRWDZBQOSA-N 0 0 344.411 3.380 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000345110263 456929304 /nfs/dbraw/zinc/92/93/04/456929304.db2.gz UBKRDXKNHJWQQX-INIZCTEOSA-N 0 0 348.790 3.021 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCOCc1ccc(Cl)cc1Cl ZINC000345128093 456934969 /nfs/dbraw/zinc/93/49/69/456934969.db2.gz YSHBEWOZAILCSI-UHFFFAOYSA-N 0 0 342.182 3.347 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000341818596 456957673 /nfs/dbraw/zinc/95/76/73/456957673.db2.gz WAWJPVFMCVVZKY-LBPRGKRZSA-N 0 0 334.763 3.052 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1sccc1C ZINC000353923113 456966492 /nfs/dbraw/zinc/96/64/92/456966492.db2.gz QXISKQWEYRBWLO-AWEZNQCLSA-N 0 0 349.412 3.382 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(=O)c1ccc2c(c1)CCC2 ZINC000339191913 456984760 /nfs/dbraw/zinc/98/47/60/456984760.db2.gz FFRAGQVRQKXFLV-UHFFFAOYSA-N 0 0 328.299 3.044 10 5 EGBERN CCOc1ccc(N(CC)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000339203511 456989877 /nfs/dbraw/zinc/98/98/77/456989877.db2.gz IUEZRQNOBBLOKP-UHFFFAOYSA-N 0 0 329.356 3.364 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000356483622 457014900 /nfs/dbraw/zinc/01/49/00/457014900.db2.gz ULIDHGOMGALDHI-WMZOPIPTSA-N 0 0 326.352 3.063 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000354055339 457034644 /nfs/dbraw/zinc/03/46/44/457034644.db2.gz XISGHZRHWHTDJN-CYBMUJFWSA-N 0 0 327.384 3.460 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCCc2ccccc21 ZINC000339276592 457036212 /nfs/dbraw/zinc/03/62/12/457036212.db2.gz UMEZHIQZPIDRIO-SFHVURJKSA-N 0 0 325.368 3.280 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000339279197 457037522 /nfs/dbraw/zinc/03/75/22/457037522.db2.gz AIOAIPYQAWUJTR-UHFFFAOYSA-N 0 0 331.347 3.488 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000330523170 457053356 /nfs/dbraw/zinc/05/33/56/457053356.db2.gz IOJXGGIKRVLEOM-JOAULVNJSA-N 0 0 343.177 3.109 10 5 EGBERN COc1cccc(-c2nc(-c3cc(C)cc(C)n3)no2)c1[N+](=O)[O-] ZINC000346588274 457061937 /nfs/dbraw/zinc/06/19/37/457061937.db2.gz WPGJRDSOUKGQMM-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN Cc1ccc(Cl)cc1-c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000356601363 457078075 /nfs/dbraw/zinc/07/80/75/457078075.db2.gz YHBCOXAVIDBUIZ-UHFFFAOYSA-N 0 0 333.735 3.046 10 5 EGBERN CCOc1cccc(CNc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)n1 ZINC000362755466 457079174 /nfs/dbraw/zinc/07/91/74/457079174.db2.gz IJXXIHQUTRJIKX-UHFFFAOYSA-N 0 0 345.355 3.096 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359543233 457094577 /nfs/dbraw/zinc/09/45/77/457094577.db2.gz CREHGZIQROWNOM-NHYWBVRUSA-N 0 0 331.347 3.283 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000354149963 457095107 /nfs/dbraw/zinc/09/51/07/457095107.db2.gz QXBAQTZLXAFWHP-WMZOPIPTSA-N 0 0 347.415 3.258 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCc2ccccc21 ZINC000342091524 457103356 /nfs/dbraw/zinc/10/33/56/457103356.db2.gz UWPBLRJPITWSHU-LBPRGKRZSA-N 0 0 346.333 3.262 10 5 EGBERN CN(C(=O)[C@@]1(C)CCCO1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000342091358 457103530 /nfs/dbraw/zinc/10/35/30/457103530.db2.gz KLUUBYCZPGNXCG-MRXNPFEDSA-N 0 0 347.396 3.250 10 5 EGBERN CCC[C@@H]1SCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362832553 457114494 /nfs/dbraw/zinc/11/44/94/457114494.db2.gz ZYQJLZKSHYMMQI-AWEZNQCLSA-N 0 0 330.356 3.117 10 5 EGBERN COCCN(Cc1scnc1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000362857669 457128056 /nfs/dbraw/zinc/12/80/56/457128056.db2.gz XVUPLCZDOFCRHU-UHFFFAOYSA-N 0 0 342.808 3.061 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000359974149 457179502 /nfs/dbraw/zinc/17/95/02/457179502.db2.gz NHVLVIHNQQKMLZ-GOSISDBHSA-N 0 0 330.359 3.136 10 5 EGBERN COC(=O)c1cc(NC(=O)NCCC2=CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000362991748 457187097 /nfs/dbraw/zinc/18/70/97/457187097.db2.gz CQZGYFYJUAWZSQ-UHFFFAOYSA-N 0 0 347.371 3.312 10 5 EGBERN CCc1nc([C@H]2CCCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)no1 ZINC000363014105 457196545 /nfs/dbraw/zinc/19/65/45/457196545.db2.gz HBNWUBPDYYXOSY-CYBMUJFWSA-N 0 0 346.387 3.276 10 5 EGBERN Cc1cc(C)nc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000356963699 457245978 /nfs/dbraw/zinc/24/59/78/457245978.db2.gz MWABMGQSNONZSA-UHFFFAOYSA-N 0 0 339.355 3.293 10 5 EGBERN CCCC[C@@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000347139401 457251219 /nfs/dbraw/zinc/25/12/19/457251219.db2.gz IGAVRKOKYNIILP-GFCCVEGCSA-N 0 0 346.387 3.130 10 5 EGBERN Cc1cnc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000360101945 457256501 /nfs/dbraw/zinc/25/65/01/457256501.db2.gz OBWVMFHCCKPLQD-JKSUJKDBSA-N 0 0 335.367 3.452 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2c([N+](=O)[O-])c(C)nn2CC)c1 ZINC000360106374 457258503 /nfs/dbraw/zinc/25/85/03/457258503.db2.gz BJVAWCCEKYSHCF-UHFFFAOYSA-N 0 0 346.391 3.029 10 5 EGBERN COc1ccc2[nH]c(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000342414086 457290365 /nfs/dbraw/zinc/29/03/65/457290365.db2.gz KHXCEWYBNMFKJD-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CC(C)C[C@H](C)Oc1cc(CNc2ccncc2[N+](=O)[O-])ccn1 ZINC000347267799 457321324 /nfs/dbraw/zinc/32/13/24/457321324.db2.gz DZXAEHGMPISONC-ZDUSSCGKSA-N 0 0 330.388 3.232 10 5 EGBERN Cc1nn(C)c(N2CCC(OC3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363503267 457349271 /nfs/dbraw/zinc/34/92/71/457349271.db2.gz BJKFULFGTABEDT-UHFFFAOYSA-N 0 0 336.436 3.201 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000378105582 457374495 /nfs/dbraw/zinc/37/44/95/457374495.db2.gz FAPNUEYYCWBPOM-HOTGVXAUSA-N 0 0 330.384 3.077 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000360835507 457374697 /nfs/dbraw/zinc/37/46/97/457374697.db2.gz NZXIUIUBNPGIAU-UHFFFAOYSA-N 0 0 349.293 3.013 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000378105584 457374846 /nfs/dbraw/zinc/37/48/46/457374846.db2.gz FAPNUEYYCWBPOM-JKSUJKDBSA-N 0 0 330.384 3.077 10 5 EGBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CC12CC2 ZINC000424982895 457395208 /nfs/dbraw/zinc/39/52/08/457395208.db2.gz ISIZOTSNSFIQGV-LBPRGKRZSA-N 0 0 343.305 3.084 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3nc4ccccc4o3)n2)nc1 ZINC000357305879 457433811 /nfs/dbraw/zinc/43/38/11/457433811.db2.gz AGXCZTRLEOBNNH-FPLPWBNLSA-N 0 0 349.306 3.275 10 5 EGBERN C[C@H](Oc1ccccc1F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357326156 457446924 /nfs/dbraw/zinc/44/69/24/457446924.db2.gz FADXPDCTNOLRPI-JTQLQIEISA-N 0 0 344.302 3.243 10 5 EGBERN CSc1ccccc1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357327647 457448388 /nfs/dbraw/zinc/44/83/88/457448388.db2.gz GGEDQPJZEPCTHZ-UHFFFAOYSA-N 0 0 342.380 3.276 10 5 EGBERN Cc1cccc2c(Cc3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c[nH]c21 ZINC000357327254 457448734 /nfs/dbraw/zinc/44/87/34/457448734.db2.gz DDTRXSBVMPUHCS-UHFFFAOYSA-N 0 0 349.350 3.344 10 5 EGBERN Cn1cc([C@@H](NCc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000369910716 457457068 /nfs/dbraw/zinc/45/70/68/457457068.db2.gz VMFWHUCQBKKEIS-SFHVURJKSA-N 0 0 340.358 3.347 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000360961573 457468727 /nfs/dbraw/zinc/46/87/27/457468727.db2.gz SDQWJTHEZVHWKC-SWLSCSKDSA-N 0 0 330.388 3.086 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000374093493 457474293 /nfs/dbraw/zinc/47/42/93/457474293.db2.gz RRNORUMLLQREBC-IYBDPMFKSA-N 0 0 338.363 3.193 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000357388176 457488457 /nfs/dbraw/zinc/48/84/57/457488457.db2.gz WZFGUHISLIGDPH-MRXNPFEDSA-N 0 0 338.367 3.281 10 5 EGBERN O=[N+]([O-])c1cnccc1Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000361042058 457537214 /nfs/dbraw/zinc/53/72/14/457537214.db2.gz IAMIPPBHQUIUEW-UHFFFAOYSA-N 0 0 349.272 3.360 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000342863215 457563135 /nfs/dbraw/zinc/56/31/35/457563135.db2.gz WMCDUTUGTFORHG-HZPDHXFCSA-N 0 0 325.368 3.287 10 5 EGBERN CNc1c(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cccc1[N+](=O)[O-] ZINC000361123251 457595997 /nfs/dbraw/zinc/59/59/97/457595997.db2.gz NQCRPFWYERJXGA-LBPRGKRZSA-N 0 0 343.383 3.445 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)c3ccc(Cl)cc3)nc2c1 ZINC000357586474 457607403 /nfs/dbraw/zinc/60/74/03/457607403.db2.gz YHQUQHSSFSXNQE-AWEZNQCLSA-N 0 0 332.747 3.270 10 5 EGBERN CC(C)c1[nH]nc(-c2nc(COCc3ccccc3)no2)c1[N+](=O)[O-] ZINC000356433101 457623053 /nfs/dbraw/zinc/62/30/53/457623053.db2.gz GHTFMTJPVDUZHH-UHFFFAOYSA-N 0 0 343.343 3.208 10 5 EGBERN Cn1c(C(=O)N[C@H](c2ccco2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000357691106 457658123 /nfs/dbraw/zinc/65/81/23/457658123.db2.gz WRUWBBGPWJEWDR-INIZCTEOSA-N 0 0 325.324 3.046 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC1(C(F)(F)F)CC1 ZINC000357701183 457662141 /nfs/dbraw/zinc/66/21/41/457662141.db2.gz ZJNDZTGDMASRLN-UHFFFAOYSA-N 0 0 330.306 3.328 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CCc1ccc(C)o1 ZINC000361280572 457677738 /nfs/dbraw/zinc/67/77/38/457677738.db2.gz JCMVZGQTHQCEGW-LLVKDONJSA-N 0 0 331.372 3.289 10 5 EGBERN CC(C)(C)n1cnc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000361446530 457735193 /nfs/dbraw/zinc/73/51/93/457735193.db2.gz BPQJXEXIKRKBRG-UHFFFAOYSA-N 0 0 341.371 3.235 10 5 EGBERN CCNc1ccc(C(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000411089855 457796398 /nfs/dbraw/zinc/79/63/98/457796398.db2.gz GMJMHXLRBCOOAY-UHFFFAOYSA-N 0 0 327.331 3.192 10 5 EGBERN C[C@@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443763078 457810909 /nfs/dbraw/zinc/81/09/09/457810909.db2.gz YPLCODJJDAOXOT-IUODEOHRSA-N 0 0 340.445 3.229 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(COC3CCOCC3)cc2)cn1 ZINC000443892032 457820030 /nfs/dbraw/zinc/82/00/30/457820030.db2.gz PIAPZAPBDVSSEA-UHFFFAOYSA-N 0 0 343.383 3.298 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000443986065 457834171 /nfs/dbraw/zinc/83/41/71/457834171.db2.gz VGBJUOOIKXLZDK-UHFFFAOYSA-N 0 0 341.346 3.294 10 5 EGBERN O=C(COc1c(F)cccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000361757724 457839917 /nfs/dbraw/zinc/83/99/17/457839917.db2.gz SRCLXANJIDDNSR-OAHLLOKOSA-N 0 0 344.342 3.307 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433765371 457882047 /nfs/dbraw/zinc/88/20/47/457882047.db2.gz HNWQTPUQTULVCU-ZDUSSCGKSA-N 0 0 344.415 3.453 10 5 EGBERN COc1ccc(C[NH2+][C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752600 457892751 /nfs/dbraw/zinc/89/27/51/457892751.db2.gz DJHUNYXLWJQBHE-KBPBESRZSA-N 0 0 336.388 3.117 10 5 EGBERN CCOC(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000411474240 457897483 /nfs/dbraw/zinc/89/74/83/457897483.db2.gz LNUHXOOOZMDGGL-CYBMUJFWSA-N 0 0 343.383 3.326 10 5 EGBERN CCOc1ccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000426801057 457906166 /nfs/dbraw/zinc/90/61/66/457906166.db2.gz RVWMSBHUMIFXPR-JTQLQIEISA-N 0 0 328.315 3.111 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)C(C)(C)C ZINC000411558990 457919157 /nfs/dbraw/zinc/91/91/57/457919157.db2.gz MUYNXIPCCZIOSI-UHFFFAOYSA-N 0 0 335.404 3.091 10 5 EGBERN COc1cc(C)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000444627966 457922310 /nfs/dbraw/zinc/92/23/10/457922310.db2.gz GDNURKAWMMZZTH-UHFFFAOYSA-N 0 0 340.339 3.349 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375432258 457930191 /nfs/dbraw/zinc/93/01/91/457930191.db2.gz YJNCYOCUKFTASX-LBPRGKRZSA-N 0 0 348.790 3.498 10 5 EGBERN CC(C)n1ncc2c1C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000375451453 457936566 /nfs/dbraw/zinc/93/65/66/457936566.db2.gz TZRIFSOGLQVYLU-GFCCVEGCSA-N 0 0 345.359 3.250 10 5 EGBERN Nc1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000367268702 457939654 /nfs/dbraw/zinc/93/96/54/457939654.db2.gz FAOXJUNBXPWMJH-NSHDSACASA-N 0 0 334.326 3.146 10 5 EGBERN CCCN(Cc1ccc(F)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427180665 457954580 /nfs/dbraw/zinc/95/45/80/457954580.db2.gz ZXBOJGULNWJHHX-UHFFFAOYSA-N 0 0 334.351 3.003 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)n1 ZINC000427400301 457982892 /nfs/dbraw/zinc/98/28/92/457982892.db2.gz UCTOBDRWDPXZDH-GHMZBOCLSA-N 0 0 346.362 3.098 10 5 EGBERN C[C@H]1C[C@H]1N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000411928026 458014218 /nfs/dbraw/zinc/01/42/18/458014218.db2.gz UBMHFGIMPBRVBK-BLLLJJGKSA-N 0 0 325.368 3.109 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000362127797 458033192 /nfs/dbraw/zinc/03/31/92/458033192.db2.gz BJDYLUODOFREAJ-GFCCVEGCSA-N 0 0 349.412 3.096 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(F)cc2n1C ZINC000362147538 458033662 /nfs/dbraw/zinc/03/36/62/458033662.db2.gz RKPPPCMAIKBOLT-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN C[C@H](OCCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 ZINC000427983581 458060549 /nfs/dbraw/zinc/06/05/49/458060549.db2.gz LROREDMTYZGYHZ-ZDUSSCGKSA-N 0 0 340.383 3.473 10 5 EGBERN CSCc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)ccc1F ZINC000445574212 458064860 /nfs/dbraw/zinc/06/48/60/458064860.db2.gz LAPGJWPAQGILTQ-UHFFFAOYSA-N 0 0 349.347 3.047 10 5 EGBERN CC(=O)N(C)c1ccccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358545454 458066492 /nfs/dbraw/zinc/06/64/92/458066492.db2.gz ZNIAUMALQCILDV-UHFFFAOYSA-N 0 0 327.340 3.138 10 5 EGBERN CC[C@@H](NC(=O)N1CCCC[C@@H]1COC)c1cccc([N+](=O)[O-])c1 ZINC000458484534 458066739 /nfs/dbraw/zinc/06/67/39/458066739.db2.gz BUTPSCGAFXVDMA-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](OC)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458498625 458071387 /nfs/dbraw/zinc/07/13/87/458071387.db2.gz JKDUDJKRFLYXFN-UHOFOFEASA-N 0 0 335.404 3.112 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000371795111 458076461 /nfs/dbraw/zinc/07/64/61/458076461.db2.gz KDRRUWCJPOABER-FMIVXFBMSA-N 0 0 349.350 3.422 10 5 EGBERN COC(=O)c1c(C)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1F ZINC000362328560 458107268 /nfs/dbraw/zinc/10/72/68/458107268.db2.gz SXHKAVPUYPXOJF-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC(C)=C[C@H](C)C2)cc1SC ZINC000435261701 458109892 /nfs/dbraw/zinc/10/98/92/458109892.db2.gz CIQKTTGUQQNTDO-JTQLQIEISA-N 0 0 336.413 3.364 10 5 EGBERN CCOc1ccc(C(=O)N2CCC3(CC(OCC)C3)C2)cc1[N+](=O)[O-] ZINC000375903372 458117274 /nfs/dbraw/zinc/11/72/74/458117274.db2.gz RKAWOZUUGUGODT-UHFFFAOYSA-N 0 0 348.399 3.025 10 5 EGBERN Cc1c(CNC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000412291825 458156453 /nfs/dbraw/zinc/15/64/53/458156453.db2.gz OQFKMVJEADMSDT-CRAIPNDOSA-N 0 0 328.343 3.404 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358707810 458162264 /nfs/dbraw/zinc/16/22/64/458162264.db2.gz WQGQYQWNFPBSSH-ROUUACIJSA-N 0 0 340.379 3.066 10 5 EGBERN Nc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC000435572470 458163047 /nfs/dbraw/zinc/16/30/47/458163047.db2.gz AHBVPWAAXDXTFX-WCBMZHEXSA-N 0 0 340.170 3.072 10 5 EGBERN CSc1cccc(C(=O)N[C@H](C)c2cncc(F)c2)c1[N+](=O)[O-] ZINC000362418524 458164737 /nfs/dbraw/zinc/16/47/37/458164737.db2.gz MLYPMAGRFARCLT-SECBINFHSA-N 0 0 335.360 3.342 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412330653 458169855 /nfs/dbraw/zinc/16/98/55/458169855.db2.gz HAGUZTSEHPWGJK-LPHOPBHVSA-N 0 0 342.370 3.481 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2ccccc2C1 ZINC000358753144 458193996 /nfs/dbraw/zinc/19/39/96/458193996.db2.gz IKWBFONWDMAXGF-UHFFFAOYSA-N 0 0 335.367 3.393 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000362479160 458206215 /nfs/dbraw/zinc/20/62/15/458206215.db2.gz JKJUDNDAXUMSGP-MRXNPFEDSA-N 0 0 333.363 3.401 10 5 EGBERN C[C@H]1[C@H](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000362489729 458212056 /nfs/dbraw/zinc/21/20/56/458212056.db2.gz XDUZKBUOSSSHQK-ZFWWWQNUSA-N 0 0 337.383 3.095 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000376160423 458216342 /nfs/dbraw/zinc/21/63/42/458216342.db2.gz NPPPVTHCHWWGGE-LZLYRXPVSA-N 0 0 337.379 3.398 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435937498 458227223 /nfs/dbraw/zinc/22/72/23/458227223.db2.gz JIPOQSIHTNLJSS-UHFFFAOYSA-N 0 0 346.390 3.284 10 5 EGBERN CCc1ncc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000459048613 458252890 /nfs/dbraw/zinc/25/28/90/458252890.db2.gz JWYWPXBRZVHRKK-UHFFFAOYSA-N 0 0 344.371 3.019 10 5 EGBERN CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447686505 458330015 /nfs/dbraw/zinc/33/00/15/458330015.db2.gz QSHIFKZUGLAXRY-QFYYESIMSA-N 0 0 344.346 3.220 10 5 EGBERN COc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000438089982 458530350 /nfs/dbraw/zinc/53/03/50/458530350.db2.gz YNWCCJWPMCYNTC-UHFFFAOYSA-N 0 0 334.353 3.040 10 5 EGBERN CCOc1cc(NC(=O)N[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000431199594 458543102 /nfs/dbraw/zinc/54/31/02/458543102.db2.gz UBYATANQBNTKDO-NWDGAFQWSA-N 0 0 349.387 3.312 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1noc(C)n1 ZINC000377937983 458578115 /nfs/dbraw/zinc/57/81/15/458578115.db2.gz AOOXVHSSTOLCRS-OAHLLOKOSA-N 0 0 346.387 3.412 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000438843380 458620700 /nfs/dbraw/zinc/62/07/00/458620700.db2.gz VONPGASFOQNZSZ-NUEKZKHPSA-N 0 0 347.415 3.114 10 5 EGBERN CO[C@@H]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438933883 458630932 /nfs/dbraw/zinc/63/09/32/458630932.db2.gz GLLMGQJFTNJOII-GXFFZTMASA-N 0 0 326.780 3.102 10 5 EGBERN Cc1cnccc1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438941104 458631487 /nfs/dbraw/zinc/63/14/87/458631487.db2.gz ZDJYNSMALYBZPT-UHFFFAOYSA-N 0 0 333.775 3.233 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC2CCCC2)s1 ZINC000462592450 458633250 /nfs/dbraw/zinc/63/32/50/458633250.db2.gz NOLBYIQQGIEPBP-UHFFFAOYSA-N 0 0 332.447 3.295 10 5 EGBERN Cc1ccn2c(c1)nnc2NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439149396 458662378 /nfs/dbraw/zinc/66/23/78/458662378.db2.gz ZOLOHHDCTBDIOF-UHFFFAOYSA-N 0 0 345.746 3.160 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456565759 458716184 /nfs/dbraw/zinc/71/61/84/458716184.db2.gz NQZLWYDHHONIGJ-OAHLLOKOSA-N 0 0 327.340 3.259 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000456600880 458726267 /nfs/dbraw/zinc/72/62/67/458726267.db2.gz WXYPMKFCLGCHJG-JKSUJKDBSA-N 0 0 348.399 3.023 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1c1cccc(F)c1 ZINC000530596219 458797162 /nfs/dbraw/zinc/79/71/62/458797162.db2.gz MEQQHRVYYCUCSX-MEDUHNTESA-N 0 0 331.347 3.296 10 5 EGBERN O=C(C/C=C/c1cccc(F)c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531391119 458911531 /nfs/dbraw/zinc/91/15/31/458911531.db2.gz YJQXZFSZYMYNDX-DUXPYHPUSA-N 0 0 344.342 3.332 10 5 EGBERN COc1c(C(=O)N[C@@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000475116631 458919746 /nfs/dbraw/zinc/91/97/46/458919746.db2.gz FQPJBDYDGBNGRG-CQSZACIVSA-N 0 0 330.315 3.160 10 5 EGBERN Cn1cc(C(=O)N2CC(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457343425 458926981 /nfs/dbraw/zinc/92/69/81/458926981.db2.gz NOODDSOUJXDGRA-UHFFFAOYSA-N 0 0 342.399 3.113 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H](C)C1 ZINC000441429299 458941800 /nfs/dbraw/zinc/94/18/00/458941800.db2.gz OOVJZEWKZCYZFB-NXEZZACHSA-N 0 0 346.305 3.253 10 5 EGBERN CCOc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000531630342 458948431 /nfs/dbraw/zinc/94/84/31/458948431.db2.gz DSJGHPJNQVLAHF-UHFFFAOYSA-N 0 0 343.383 3.439 10 5 EGBERN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634136 458949320 /nfs/dbraw/zinc/94/93/20/458949320.db2.gz BKQBDHQHCYMDLC-UHFFFAOYSA-N 0 0 349.368 3.097 10 5 EGBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000566618056 458971054 /nfs/dbraw/zinc/97/10/54/458971054.db2.gz YWGZSZDDRQCDAE-LLVKDONJSA-N 0 0 343.431 3.262 10 5 EGBERN CN(CC1CCCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000519617272 458975374 /nfs/dbraw/zinc/97/53/74/458975374.db2.gz YYDYCRCQKOOMAK-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN COC(C)(C)CN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519682648 458986677 /nfs/dbraw/zinc/98/66/77/458986677.db2.gz MYYKOBZDZKTVNM-UHFFFAOYSA-N 0 0 338.407 3.178 10 5 EGBERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1c[nH]nc1[N+](=O)[O-] ZINC000577162325 458989334 /nfs/dbraw/zinc/98/93/34/458989334.db2.gz YJUGJUIOYMSYAS-SNVBAGLBSA-N 0 0 341.154 3.042 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000531882592 458994249 /nfs/dbraw/zinc/99/42/49/458994249.db2.gz JSDRNLQHNPUZAV-SECBINFHSA-N 0 0 334.401 3.235 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000567015028 459035032 /nfs/dbraw/zinc/03/50/32/459035032.db2.gz GLPIFWQARCQSGE-AWEZNQCLSA-N 0 0 335.310 3.019 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(-c2ccccc2C)n1 ZINC000532145053 459036291 /nfs/dbraw/zinc/03/62/91/459036291.db2.gz TXPDIOCHJXJOIN-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144500 459036833 /nfs/dbraw/zinc/03/68/33/459036833.db2.gz YZNGBFZIGLXLJU-SECBINFHSA-N 0 0 333.294 3.028 10 5 EGBERN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000478002224 459070623 /nfs/dbraw/zinc/07/06/23/459070623.db2.gz XDSMALWZBAZCRG-GDBMZVCRSA-N 0 0 347.415 3.246 10 5 EGBERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397475 459080557 /nfs/dbraw/zinc/08/05/57/459080557.db2.gz UFDGQVTYBORALF-HWPZZCPQSA-N 0 0 329.331 3.182 10 5 EGBERN C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594539589 459084125 /nfs/dbraw/zinc/08/41/25/459084125.db2.gz DYFPGWDROOBPQE-ALROKQHHSA-N 0 0 332.400 3.333 10 5 EGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)C)n1)c1c(C)nn(C)c1C ZINC000594554377 459088026 /nfs/dbraw/zinc/08/80/26/459088026.db2.gz CFPZBADHTHGLMW-CYBMUJFWSA-N 0 0 347.419 3.112 10 5 EGBERN COC(=O)c1cc(N[C@H](C)Cc2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000594594175 459101805 /nfs/dbraw/zinc/10/18/05/459101805.db2.gz PSEWLXIUSJPGRV-GFCCVEGCSA-N 0 0 329.356 3.128 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594592198 459102305 /nfs/dbraw/zinc/10/23/05/459102305.db2.gz QNBYTBLVIPXDCL-UHFFFAOYSA-N 0 0 335.367 3.317 10 5 EGBERN CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCCCO1 ZINC000594598012 459102903 /nfs/dbraw/zinc/10/29/03/459102903.db2.gz FXHRGSGFTXMQID-MLGOLLRUSA-N 0 0 333.388 3.239 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590557337 459147981 /nfs/dbraw/zinc/14/79/81/459147981.db2.gz WZKUHKFVVLGAGV-CQSZACIVSA-N 0 0 330.365 3.203 10 5 EGBERN Cc1cc(N2CCC(n3cc(N(C)C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000590570461 459151369 /nfs/dbraw/zinc/15/13/69/459151369.db2.gz ZYKKCSDFOOEBBZ-UHFFFAOYSA-N 0 0 329.404 3.007 10 5 EGBERN Cc1[nH]nc(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C ZINC000558443935 459160155 /nfs/dbraw/zinc/16/01/55/459160155.db2.gz DKVYFHDQDKFWLA-UHFFFAOYSA-N 0 0 331.376 3.298 10 5 EGBERN COc1ccc(Cl)cc1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000590645505 459171074 /nfs/dbraw/zinc/17/10/74/459171074.db2.gz FJKCFRCCJIUQCO-UHFFFAOYSA-N 0 0 334.759 3.462 10 5 EGBERN Cc1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000594954336 459190340 /nfs/dbraw/zinc/19/03/40/459190340.db2.gz YPEGNQBSQGRUTD-UHFFFAOYSA-N 0 0 326.278 3.002 10 5 EGBERN CC(C)c1ccc(CNc2ccn(C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000594978531 459204388 /nfs/dbraw/zinc/20/43/88/459204388.db2.gz DKTUULZPNJQANN-UHFFFAOYSA-N 0 0 344.415 3.300 10 5 EGBERN O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000590768076 459209851 /nfs/dbraw/zinc/20/98/51/459209851.db2.gz KJBIWYGDVNMFRZ-GDBMZVCRSA-N 0 0 325.368 3.304 10 5 EGBERN CC1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCOCC1 ZINC000590778763 459214340 /nfs/dbraw/zinc/21/43/40/459214340.db2.gz DISPNBZSWLPMNK-UHFFFAOYSA-N 0 0 344.371 3.071 10 5 EGBERN C[C@@H](C(=O)NC[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000568348369 459271672 /nfs/dbraw/zinc/27/16/72/459271672.db2.gz VQODYCDFARYXLA-FZKQIMNGSA-N 0 0 334.416 3.146 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595452080 459307084 /nfs/dbraw/zinc/30/70/84/459307084.db2.gz IAMDLQXTKUEZGI-CYBMUJFWSA-N 0 0 345.374 3.473 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595474762 459315319 /nfs/dbraw/zinc/31/53/19/459315319.db2.gz FSCKVTYPZZKIRZ-YVEFUNNKSA-N 0 0 325.368 3.122 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000595541001 459338759 /nfs/dbraw/zinc/33/87/59/459338759.db2.gz BDEPVBJUBNMESG-MNOVXSKESA-N 0 0 334.401 3.481 10 5 EGBERN CCc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000534628203 459339716 /nfs/dbraw/zinc/33/97/16/459339716.db2.gz MJRXMQSDWODFEN-UHFFFAOYSA-N 0 0 349.394 3.086 10 5 EGBERN Cc1c(CNC(=O)N2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595588028 459356762 /nfs/dbraw/zinc/35/67/62/459356762.db2.gz NIFPQBJSGFPFRU-CYBMUJFWSA-N 0 0 347.415 3.146 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(/C=C/[C@@H]3CCCO3)n2)c2c1NCCC2 ZINC000591665820 459420241 /nfs/dbraw/zinc/42/02/41/459420241.db2.gz JXZPLLDXMZHHEC-BWNDKRECSA-N 0 0 342.355 3.195 10 5 EGBERN COc1cc(CN2CCOC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000595757814 459428192 /nfs/dbraw/zinc/42/81/92/459428192.db2.gz GCNYINRFNKYSKP-KRWDZBQOSA-N 0 0 346.358 3.316 10 5 EGBERN C[C@]12COC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761643 459430166 /nfs/dbraw/zinc/43/01/66/459430166.db2.gz YZCZZRCDDGJFTR-FZMZJTMJSA-N 0 0 330.306 3.082 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595772122 459434959 /nfs/dbraw/zinc/43/49/59/459434959.db2.gz DWQUNUOISBKKDU-VYDXJSESSA-N 0 0 331.416 3.215 10 5 EGBERN CC(C)Oc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000541274492 459438788 /nfs/dbraw/zinc/43/87/88/459438788.db2.gz UWNPQHYHYZNPLN-UHFFFAOYSA-N 0 0 337.282 3.308 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000595798507 459445218 /nfs/dbraw/zinc/44/52/18/459445218.db2.gz DUCMLXFYWZJLCD-CYBMUJFWSA-N 0 0 341.358 3.070 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595831584 459458685 /nfs/dbraw/zinc/45/86/85/459458685.db2.gz FZMUECPEXGIFES-OAHLLOKOSA-N 0 0 331.416 3.354 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000595885728 459473675 /nfs/dbraw/zinc/47/36/75/459473675.db2.gz IQFZYMIOQZBQKP-LLVKDONJSA-N 0 0 338.713 3.401 10 5 EGBERN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888204 459475078 /nfs/dbraw/zinc/47/50/78/459475078.db2.gz CVMUDOROPANFRK-BXUZGUMPSA-N 0 0 348.321 3.015 10 5 EGBERN COc1cc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595890473 459476997 /nfs/dbraw/zinc/47/69/97/459476997.db2.gz MOWJPNDLATXTPV-JQWIXIFHSA-N 0 0 348.321 3.145 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000591925376 459487844 /nfs/dbraw/zinc/48/78/44/459487844.db2.gz NAGSIXKECQDKSM-CABCVRRESA-N 0 0 331.416 3.122 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596000613 459492739 /nfs/dbraw/zinc/49/27/39/459492739.db2.gz FLYMSCNVFBRMOP-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000596010859 459494769 /nfs/dbraw/zinc/49/47/69/459494769.db2.gz VSSYZLZIQHJSHU-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN Cn1cnc(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000591968311 459499792 /nfs/dbraw/zinc/49/97/92/459499792.db2.gz XSMKZYOLSRNBMC-UHFFFAOYSA-N 0 0 330.175 3.075 10 5 EGBERN Cc1ccc(CN(CC2CC2)c2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000591976069 459502248 /nfs/dbraw/zinc/50/22/48/459502248.db2.gz UFCFWHYWIBUJEG-UHFFFAOYSA-N 0 0 343.412 3.424 10 5 EGBERN Cc1nc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000591988351 459505529 /nfs/dbraw/zinc/50/55/29/459505529.db2.gz UIAVNBKJPHEUAL-UHFFFAOYSA-N 0 0 335.404 3.246 10 5 EGBERN Cc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596074207 459509773 /nfs/dbraw/zinc/50/97/73/459509773.db2.gz ASOALSXPDOFDMN-UHFFFAOYSA-N 0 0 325.434 3.050 10 5 EGBERN CCN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596086714 459514824 /nfs/dbraw/zinc/51/48/24/459514824.db2.gz AKCJKCFKRPGZQD-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC1(c2ccccc2OC)CC1 ZINC000592143292 459535693 /nfs/dbraw/zinc/53/56/93/459535693.db2.gz SWKWWCMGBCWDGJ-UHFFFAOYSA-N 0 0 328.368 3.391 10 5 EGBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccc(F)c1 ZINC000596151669 459538764 /nfs/dbraw/zinc/53/87/64/459538764.db2.gz ISMQIWSELUADIA-APPDUMDISA-N 0 0 343.358 3.420 10 5 EGBERN Cc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323666 459548040 /nfs/dbraw/zinc/54/80/40/459548040.db2.gz WXKRDLQPHVHLLG-MRXNPFEDSA-N 0 0 339.395 3.331 10 5 EGBERN Cc1cc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])s1 ZINC000596179721 459550299 /nfs/dbraw/zinc/55/02/99/459550299.db2.gz PEILELSIXNSWRC-JTQLQIEISA-N 0 0 344.396 3.175 10 5 EGBERN CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000592211057 459550589 /nfs/dbraw/zinc/55/05/89/459550589.db2.gz KDURKGBLBBVTIG-OAHLLOKOSA-N 0 0 333.388 3.070 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(CC(F)F)C1 ZINC000592212155 459550612 /nfs/dbraw/zinc/55/06/12/459550612.db2.gz POEZEYZJBHHFBQ-UHFFFAOYSA-N 0 0 329.303 3.112 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000596185750 459552983 /nfs/dbraw/zinc/55/29/83/459552983.db2.gz PJGNPGFZYVYIFW-BXKDBHETSA-N 0 0 342.779 3.262 10 5 EGBERN CCOC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596220368 459564637 /nfs/dbraw/zinc/56/46/37/459564637.db2.gz AGJOMZUFHDTXPX-UHFFFAOYSA-N 0 0 330.768 3.262 10 5 EGBERN Nc1ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1[N+](=O)[O-] ZINC000596220957 459565004 /nfs/dbraw/zinc/56/50/04/459565004.db2.gz HELQEXJPLFJZRF-SNVBAGLBSA-N 0 0 330.310 3.131 10 5 EGBERN Cc1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)nn1[C@H](C)C1CC1 ZINC000542554643 459571887 /nfs/dbraw/zinc/57/18/87/459571887.db2.gz AUIFFZATJQJXEM-LLVKDONJSA-N 0 0 338.371 3.179 10 5 EGBERN Cc1noc(COc2cccc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596255334 459575576 /nfs/dbraw/zinc/57/55/76/459575576.db2.gz PPHRGPUWUIJYPG-UHFFFAOYSA-N 0 0 332.234 3.411 10 5 EGBERN CO[C@@H](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1CCCC1 ZINC000596254696 459575947 /nfs/dbraw/zinc/57/59/47/459575947.db2.gz RPQOKOPEWYZULK-KRWDZBQOSA-N 0 0 343.383 3.024 10 5 EGBERN CO[C@H](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1CCCC1 ZINC000596254697 459575959 /nfs/dbraw/zinc/57/59/59/459575959.db2.gz RPQOKOPEWYZULK-QGZVFWFLSA-N 0 0 343.383 3.024 10 5 EGBERN CC1CCC(C)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000527016583 459576203 /nfs/dbraw/zinc/57/62/03/459576203.db2.gz OEJMYCJJAZDUCC-UHFFFAOYSA-N 0 0 334.372 3.270 10 5 EGBERN COC[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596259807 459577639 /nfs/dbraw/zinc/57/76/39/459577639.db2.gz ABZGDYCZNQYEHL-SNVBAGLBSA-N 0 0 342.779 3.040 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596259193 459577710 /nfs/dbraw/zinc/57/77/10/459577710.db2.gz UKHNKRHTKGNPPF-RTHLEPHNSA-N 0 0 342.779 3.260 10 5 EGBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596259318 459577842 /nfs/dbraw/zinc/57/78/42/459577842.db2.gz XMFCCZXUWIHFPF-VIFPVBQESA-N 0 0 337.367 3.285 10 5 EGBERN CC(C)(C)c1nc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cs1 ZINC000592349811 459577821 /nfs/dbraw/zinc/57/78/21/459577821.db2.gz FDIIVCDGPBPCDS-UHFFFAOYSA-N 0 0 333.369 3.305 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2C[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596263241 459579314 /nfs/dbraw/zinc/57/93/14/459579314.db2.gz CCPBIYXCAFKDSL-AOOOYVTPSA-N 0 0 342.779 3.403 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c(C)cc2[N+](=O)[O-])[C@@H]1SC ZINC000596292376 459586865 /nfs/dbraw/zinc/58/68/65/459586865.db2.gz PEKNKEGZJIRGJG-DFBGVHRSSA-N 0 0 326.418 3.233 10 5 EGBERN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ncnn21 ZINC000596345793 459603597 /nfs/dbraw/zinc/60/35/97/459603597.db2.gz LTCULMHHMCVFNV-WRWORJQWSA-N 0 0 338.165 3.067 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnnn2C2CCCCC2)n1 ZINC000542864075 459605029 /nfs/dbraw/zinc/60/50/29/459605029.db2.gz OSVUVIIIDSFMTA-UHFFFAOYSA-N 0 0 334.405 3.250 10 5 EGBERN COc1cc(NCc2cccnc2N2CCCC2)c([N+](=O)[O-])cc1F ZINC000596357160 459606307 /nfs/dbraw/zinc/60/63/07/459606307.db2.gz MFAXAFVDXBZXTJ-UHFFFAOYSA-N 0 0 346.362 3.350 10 5 EGBERN Cc1ccc(C[C@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000527209384 459607864 /nfs/dbraw/zinc/60/78/64/459607864.db2.gz GRVUGAGIYFVFNM-OAHLLOKOSA-N 0 0 337.379 3.467 10 5 EGBERN CC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904740 459610078 /nfs/dbraw/zinc/61/00/78/459610078.db2.gz KHYRKXOBYOXIAY-OCCSQVGLSA-N 0 0 327.375 3.317 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc(C)nc(C)n2)c1 ZINC000596372333 459612151 /nfs/dbraw/zinc/61/21/51/459612151.db2.gz AJCBMDCJZTZZHY-UHFFFAOYSA-N 0 0 347.396 3.222 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000542972542 459615077 /nfs/dbraw/zinc/61/50/77/459615077.db2.gz SRDCLEFTNMJKRS-SWLSCSKDSA-N 0 0 336.388 3.387 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2cccc(F)c2OC(F)F)c1 ZINC000596385024 459617448 /nfs/dbraw/zinc/61/74/48/459617448.db2.gz PGSAUNXIZOBPAJ-UHFFFAOYSA-N 0 0 347.318 3.465 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000543133965 459625634 /nfs/dbraw/zinc/62/56/34/459625634.db2.gz FSRSZAAFTHAGIK-UHFFFAOYSA-N 0 0 328.372 3.279 10 5 EGBERN O=C(CCSCCO[C@@H]1CC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000596403564 459625704 /nfs/dbraw/zinc/62/57/04/459625704.db2.gz JMMVQYQNPWNGIZ-GFCCVEGCSA-N 0 0 346.355 3.081 10 5 EGBERN CC(C)[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1F ZINC000596441915 459638243 /nfs/dbraw/zinc/63/82/43/459638243.db2.gz RYOHCHRHQQGMSB-CYBMUJFWSA-N 0 0 332.335 3.037 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000596468917 459646802 /nfs/dbraw/zinc/64/68/02/459646802.db2.gz LKGBYRVXTHRDGW-JKSUJKDBSA-N 0 0 342.395 3.206 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)C1O ZINC000596470387 459648132 /nfs/dbraw/zinc/64/81/32/459648132.db2.gz UANMDKHILNCKDA-CHWSQXEVSA-N 0 0 327.384 3.110 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596477024 459650090 /nfs/dbraw/zinc/65/00/90/459650090.db2.gz ADWCBOHKKKYGNX-UHFFFAOYSA-N 0 0 347.350 3.057 10 5 EGBERN COc1cc(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000596487352 459654519 /nfs/dbraw/zinc/65/45/19/459654519.db2.gz HFYYXGJMWFWOBZ-OCCSQVGLSA-N 0 0 348.378 3.299 10 5 EGBERN COC(=O)C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000596492978 459656071 /nfs/dbraw/zinc/65/60/71/459656071.db2.gz XJTXLMUXKNDPEK-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000596495334 459656319 /nfs/dbraw/zinc/65/63/19/459656319.db2.gz VDOBNTGHLOUPNZ-ZJUUUORDSA-N 0 0 329.194 3.361 10 5 EGBERN CC1(C)[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1(F)F ZINC000596512686 459662295 /nfs/dbraw/zinc/66/22/95/459662295.db2.gz JRIVYPXETJNHPR-CYBMUJFWSA-N 0 0 339.342 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1Oc1cccc(C(=O)N2CCCC2)c1 ZINC000596524661 459665839 /nfs/dbraw/zinc/66/58/39/459665839.db2.gz CRRICUYTXVJWIG-UHFFFAOYSA-N 0 0 327.340 3.327 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2ccon2)CC1 ZINC000596527898 459666505 /nfs/dbraw/zinc/66/65/05/459666505.db2.gz GHSXERABMIVPFA-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000596529996 459667794 /nfs/dbraw/zinc/66/77/94/459667794.db2.gz SOMVEWWPRVHYMU-MNOVXSKESA-N 0 0 341.205 3.138 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592696960 459669414 /nfs/dbraw/zinc/66/94/14/459669414.db2.gz IKDIAULUSPJZRY-BETUJISGSA-N 0 0 336.388 3.069 10 5 EGBERN CCOC(=O)C12CC(C1)CN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596544023 459671005 /nfs/dbraw/zinc/67/10/05/459671005.db2.gz NGLUXDQHJYWIDQ-UHFFFAOYSA-N 0 0 344.289 3.146 10 5 EGBERN COc1cccc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596554353 459674048 /nfs/dbraw/zinc/67/40/48/459674048.db2.gz JTJLSULZAPFARR-NXEZZACHSA-N 0 0 334.294 3.150 10 5 EGBERN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](CC(F)(F)F)O1 ZINC000596556260 459674894 /nfs/dbraw/zinc/67/48/94/459674894.db2.gz XHKATMRKGZCLNG-ZJUUUORDSA-N 0 0 345.321 3.109 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1cc(CO)cc(C(F)(F)F)c1 ZINC000596559943 459677282 /nfs/dbraw/zinc/67/72/82/459677282.db2.gz UBRDYUGEMSFNFT-UHFFFAOYSA-N 0 0 345.277 3.423 10 5 EGBERN Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000500498071 459681550 /nfs/dbraw/zinc/68/15/50/459681550.db2.gz MMNLSSHTJITVJA-LLVKDONJSA-N 0 0 340.426 3.313 10 5 EGBERN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596574035 459682603 /nfs/dbraw/zinc/68/26/03/459682603.db2.gz MOWGGKHKXTZFNG-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN COc1cc(Cc2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)ccc1[N+](=O)[O-] ZINC000596595559 459690240 /nfs/dbraw/zinc/69/02/40/459690240.db2.gz ARCQOKNVCKNJEQ-YNEHKIRRSA-N 0 0 329.356 3.481 10 5 EGBERN CC[C@@H](C)N(CC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596600878 459693173 /nfs/dbraw/zinc/69/31/73/459693173.db2.gz LWICVJVBDBBZMM-GFCCVEGCSA-N 0 0 332.404 3.449 10 5 EGBERN CC1(C)CC[C@@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000596600675 459693201 /nfs/dbraw/zinc/69/32/01/459693201.db2.gz BNKIZPXHZCPCIM-LLVKDONJSA-N 0 0 340.343 3.129 10 5 EGBERN CN(C[C@H]1CC1(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596605607 459695842 /nfs/dbraw/zinc/69/58/42/459695842.db2.gz VWBBVJIIHIMRJV-CYBMUJFWSA-N 0 0 344.415 3.306 10 5 EGBERN CC1(CC(F)F)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000592839313 459702607 /nfs/dbraw/zinc/70/26/07/459702607.db2.gz PMDLGJVMXOREOF-UHFFFAOYSA-N 0 0 337.326 3.122 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnn1C1CCOCC1 ZINC000596633251 459706254 /nfs/dbraw/zinc/70/62/54/459706254.db2.gz AQTYQAUALDTDRD-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000596639613 459710840 /nfs/dbraw/zinc/71/08/40/459710840.db2.gz XKSQGLFMQUMZTB-BMIGLBTASA-N 0 0 343.330 3.180 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)ncn3C)c1 ZINC000543899218 459711701 /nfs/dbraw/zinc/71/17/01/459711701.db2.gz UXGAEGSBHCOBNU-UHFFFAOYSA-N 0 0 326.312 3.012 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)c1C ZINC000543977077 459715138 /nfs/dbraw/zinc/71/51/38/459715138.db2.gz DHPNREWRHXBBDE-ZDUSSCGKSA-N 0 0 346.408 3.477 10 5 EGBERN CSc1ccc(C(=O)N=c2[nH][nH]c(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592950429 459723236 /nfs/dbraw/zinc/72/32/36/459723236.db2.gz OWQIEOXYVBMBIJ-UHFFFAOYSA-N 0 0 334.401 3.146 10 5 EGBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1[C@@H]1CCC(=O)N1 ZINC000592989989 459733354 /nfs/dbraw/zinc/73/33/54/459733354.db2.gz UPASBDKDGPZFBS-AWEZNQCLSA-N 0 0 348.790 3.061 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593013352 459739938 /nfs/dbraw/zinc/73/99/38/459739938.db2.gz HVLIESHIEJHFLU-UHFFFAOYSA-N 0 0 342.399 3.308 10 5 EGBERN CC(C)[C@H](C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573877807 459750238 /nfs/dbraw/zinc/75/02/38/459750238.db2.gz RLTCKUVTXVWXTC-GFCCVEGCSA-N 0 0 332.404 3.210 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000596842049 459776195 /nfs/dbraw/zinc/77/61/95/459776195.db2.gz AQSHVBBSTOMLGS-GFCCVEGCSA-N 0 0 349.387 3.169 10 5 EGBERN COCCC1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000596899775 459790199 /nfs/dbraw/zinc/79/01/99/459790199.db2.gz TUUDUTWPPGPNFN-UHFFFAOYSA-N 0 0 335.404 3.393 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)COCC1CC1 ZINC000596913444 459794310 /nfs/dbraw/zinc/79/43/10/459794310.db2.gz YUBBUDRSFVSQHD-AWEZNQCLSA-N 0 0 335.404 3.484 10 5 EGBERN Cc1cnn(C)c1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000596977593 459808803 /nfs/dbraw/zinc/80/88/03/459808803.db2.gz OXMKNDFBAVAVCB-CQSZACIVSA-N 0 0 343.387 3.048 10 5 EGBERN C[C@H](C(=O)Nc1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593215280 459810033 /nfs/dbraw/zinc/81/00/33/459810033.db2.gz FOHFZBKBZZEUFU-NSHDSACASA-N 0 0 341.367 3.316 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1Nc1cnn(CC(F)(F)F)c1)CCCC2 ZINC000566150606 459814397 /nfs/dbraw/zinc/81/43/97/459814397.db2.gz XRSZQIOOQOSQAE-UHFFFAOYSA-N 0 0 341.293 3.371 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccn1 ZINC000597008482 459816449 /nfs/dbraw/zinc/81/64/49/459816449.db2.gz KJYHQJJQBSEQKO-UHFFFAOYSA-N 0 0 332.335 3.273 10 5 EGBERN CSc1cccnc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000593277024 459827249 /nfs/dbraw/zinc/82/72/49/459827249.db2.gz KLGGJEHYMLCNFH-UHFFFAOYSA-N 0 0 346.412 3.418 10 5 EGBERN CCc1ccc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593279377 459827474 /nfs/dbraw/zinc/82/74/74/459827474.db2.gz MAAZTOUMYVZALG-KRWDZBQOSA-N 0 0 332.400 3.092 10 5 EGBERN Cc1cc(-c2noc(Cc3cn4c(n3)CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000593301631 459834448 /nfs/dbraw/zinc/83/44/48/459834448.db2.gz HZSWTGCEWVALRV-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN COC/C(C)=C/c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000593304973 459836010 /nfs/dbraw/zinc/83/60/10/459836010.db2.gz UTNNIRHQKJOIML-CSKARUKUSA-N 0 0 330.344 3.053 10 5 EGBERN CCc1n[nH]c(C(=O)N(Cc2ccccc2F)CC2CC2)c1[N+](=O)[O-] ZINC000598252151 459840905 /nfs/dbraw/zinc/84/09/05/459840905.db2.gz RIMKTEKFAAGDBH-UHFFFAOYSA-N 0 0 346.362 3.072 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000598309448 459859439 /nfs/dbraw/zinc/85/94/39/459859439.db2.gz WYSRYKIZONHQPO-GXTWGEPZSA-N 0 0 338.429 3.386 10 5 EGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598315883 459863324 /nfs/dbraw/zinc/86/33/24/459863324.db2.gz HDVYOFSIHMDZBH-UHFFFAOYSA-N 0 0 348.790 3.179 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000598317602 459863486 /nfs/dbraw/zinc/86/34/86/459863486.db2.gz KVNZFUFXXKKDDG-UHFFFAOYSA-N 0 0 340.326 3.301 10 5 EGBERN Cc1cc(NC(=O)C[C@@H](C)n2cccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000545905167 459869342 /nfs/dbraw/zinc/86/93/42/459869342.db2.gz ORBRXWSUMXQRCF-CYBMUJFWSA-N 0 0 338.367 3.265 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC2CCC1CC2 ZINC000593372992 459870321 /nfs/dbraw/zinc/87/03/21/459870321.db2.gz NYXJXLKJZZGLPD-IKWCTNDRSA-N 0 0 346.383 3.268 10 5 EGBERN CSc1cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1C ZINC000593377063 459871257 /nfs/dbraw/zinc/87/12/57/459871257.db2.gz YDIGFRZKUISQNA-UHFFFAOYSA-N 0 0 348.428 3.467 10 5 EGBERN CC(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)(C1CC1)C1CC1 ZINC000598381652 459883991 /nfs/dbraw/zinc/88/39/91/459883991.db2.gz PWHDFHMHCXTYLZ-UHFFFAOYSA-N 0 0 341.367 3.157 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000598381258 459884299 /nfs/dbraw/zinc/88/42/99/459884299.db2.gz MHUNKTBCYLWPEJ-KRWDZBQOSA-N 0 0 331.416 3.359 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2ccon2)CC1 ZINC000598399807 459890018 /nfs/dbraw/zinc/89/00/18/459890018.db2.gz UZFVKECYKWNOKK-UHFFFAOYSA-N 0 0 349.774 3.185 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608852568 459890986 /nfs/dbraw/zinc/89/09/86/459890986.db2.gz ODOSTBNIQZBONB-AWEZNQCLSA-N 0 0 335.363 3.363 10 5 EGBERN COCCCOC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593465710 459897428 /nfs/dbraw/zinc/89/74/28/459897428.db2.gz RJXWPUZYVSIPQC-UHFFFAOYSA-N 0 0 345.399 3.165 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(CC(F)(F)F)C1 ZINC000587998818 459900153 /nfs/dbraw/zinc/90/01/53/459900153.db2.gz HOLROLPVRRSPCJ-UHFFFAOYSA-N 0 0 332.278 3.078 10 5 EGBERN CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609042273 459901729 /nfs/dbraw/zinc/90/17/29/459901729.db2.gz WRFKMXFVDFEHOW-MNOVXSKESA-N 0 0 332.447 3.294 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598452983 459902468 /nfs/dbraw/zinc/90/24/68/459902468.db2.gz CILLJBKKAGXPSZ-JTQLQIEISA-N 0 0 346.305 3.159 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCOC1(C)C ZINC000598452688 459902520 /nfs/dbraw/zinc/90/25/20/459902520.db2.gz AKXYBCHXQHCMTQ-VXGBXAGGSA-N 0 0 338.429 3.007 10 5 EGBERN CCc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000598460459 459903126 /nfs/dbraw/zinc/90/31/26/459903126.db2.gz YWAGESBDNLNYHL-CGTJXYLNSA-N 0 0 340.354 3.364 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@]2(CO)CCc3ccccc32)c2ncccc12 ZINC000593485305 459903543 /nfs/dbraw/zinc/90/35/43/459903543.db2.gz WCSDHZWYUDNPCI-HXUWFJFHSA-N 0 0 349.390 3.431 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(CCC1CC1)CC1CC1 ZINC000598467695 459904689 /nfs/dbraw/zinc/90/46/89/459904689.db2.gz NDBTYNUBHUPEEX-UHFFFAOYSA-N 0 0 338.354 3.454 10 5 EGBERN Nc1cc(NCc2cc(F)c(Cl)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000588036373 459905320 /nfs/dbraw/zinc/90/53/20/459905320.db2.gz CYWJPNYANWLDBF-UHFFFAOYSA-N 0 0 343.717 3.213 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](C2CC2)C2CCOCC2)s1 ZINC000593491807 459906050 /nfs/dbraw/zinc/90/60/50/459906050.db2.gz PZEUNOYTFUTVGI-CYBMUJFWSA-N 0 0 334.401 3.217 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000598470020 459906274 /nfs/dbraw/zinc/90/62/74/459906274.db2.gz BLGLJESGAGAEEK-CQSZACIVSA-N 0 0 334.420 3.244 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(CNc3ccccc32)C1 ZINC000618166218 459914744 /nfs/dbraw/zinc/91/47/44/459914744.db2.gz DMJFEWZYZGGYSL-INIZCTEOSA-N 0 0 330.775 3.217 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000597350634 459925983 /nfs/dbraw/zinc/92/59/83/459925983.db2.gz SPXAZLVWKHNMIX-LBPRGKRZSA-N 0 0 342.399 3.395 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)[C@H]1CCc2ccccc21 ZINC000609254679 459931572 /nfs/dbraw/zinc/93/15/72/459931572.db2.gz BHXVUWYMPZCMEO-KRWDZBQOSA-N 0 0 347.392 3.206 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000598541180 459933091 /nfs/dbraw/zinc/93/30/91/459933091.db2.gz UFXPABHHXZHPGP-GUYCJALGSA-N 0 0 328.368 3.064 10 5 EGBERN CCc1ccc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000598541390 459933466 /nfs/dbraw/zinc/93/34/66/459933466.db2.gz ILHKKONGZANYML-KDURUIRLSA-N 0 0 344.411 3.190 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3CC2(c2ccccc2)C3)c1[N+](=O)[O-] ZINC000598556408 459936022 /nfs/dbraw/zinc/93/60/22/459936022.db2.gz UJTKFRHVFWAKBB-UHFFFAOYSA-N 0 0 340.383 3.203 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000598556606 459936771 /nfs/dbraw/zinc/93/67/71/459936771.db2.gz WVYSOVJABLVFLG-UHFFFAOYSA-N 0 0 338.363 3.365 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC4CC3(C)C4)cc2[N+](=O)[O-])C1 ZINC000598567754 459940788 /nfs/dbraw/zinc/94/07/88/459940788.db2.gz GRYLQLVXBNREBB-CDJWAVJASA-N 0 0 343.427 3.456 10 5 EGBERN CNc1ccc(-c2nc(-c3ncsc3Cl)no2)cc1[N+](=O)[O-] ZINC000575174934 459940947 /nfs/dbraw/zinc/94/09/47/459940947.db2.gz GYJVFTMZSQOCKP-UHFFFAOYSA-N 0 0 337.748 3.463 10 5 EGBERN CC1CCN(c2ccc(C(=O)N3CC4CC3(C)C4)cc2[N+](=O)[O-])CC1 ZINC000598568356 459941426 /nfs/dbraw/zinc/94/14/26/459941426.db2.gz PTMMZLAIUAKRIW-UHFFFAOYSA-N 0 0 343.427 3.456 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598579160 459949567 /nfs/dbraw/zinc/94/95/67/459949567.db2.gz XMAJIQDDQJSGHA-GFCCVEGCSA-N 0 0 326.352 3.411 10 5 EGBERN CCOc1ccc([C@H](C)Nc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000598586384 459954161 /nfs/dbraw/zinc/95/41/61/459954161.db2.gz SKQNEOYVARCPCB-NSHDSACASA-N 0 0 345.355 3.348 10 5 EGBERN COC(=O)c1ccnc(NCC2(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000598598063 459959223 /nfs/dbraw/zinc/95/92/23/459959223.db2.gz YNNGBMDRSMIQMW-UHFFFAOYSA-N 0 0 345.330 3.059 10 5 EGBERN COC(=O)c1ccnc(NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000598620644 459967084 /nfs/dbraw/zinc/96/70/84/459967084.db2.gz MGRBLBVJQNLEPU-UHFFFAOYSA-N 0 0 327.340 3.266 10 5 EGBERN CC(C)[C@@H](C)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575386480 459968871 /nfs/dbraw/zinc/96/88/71/459968871.db2.gz DSQOBKYGBSABCI-GFCCVEGCSA-N 0 0 332.404 3.305 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000588756984 459978790 /nfs/dbraw/zinc/97/87/90/459978790.db2.gz LIJKYVIKUYQJHV-AWEZNQCLSA-N 0 0 339.342 3.457 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598662138 459983027 /nfs/dbraw/zinc/98/30/27/459983027.db2.gz QBKPCRDKPJVLOS-GFCCVEGCSA-N 0 0 339.342 3.314 10 5 EGBERN CC(C)(C(=O)N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000588784717 459983177 /nfs/dbraw/zinc/98/31/77/459983177.db2.gz QHZMTJJIHFJXFO-GFCCVEGCSA-N 0 0 330.306 3.316 10 5 EGBERN COC1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCC(F)(F)CC1 ZINC000597554867 459993193 /nfs/dbraw/zinc/99/31/93/459993193.db2.gz HAPRBKBWXKDGNB-UHFFFAOYSA-N 0 0 342.342 3.114 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nccn2c1 ZINC000609618946 459995897 /nfs/dbraw/zinc/99/58/97/459995897.db2.gz MFCGYXMZLWADRE-LLVKDONJSA-N 0 0 342.380 3.362 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597578659 459999112 /nfs/dbraw/zinc/99/91/12/459999112.db2.gz ACPKYCYOLZHUBR-GWCFXTLKSA-N 0 0 346.305 3.045 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)c1[N+](=O)[O-] ZINC000593829209 459999501 /nfs/dbraw/zinc/99/95/01/459999501.db2.gz SNFLJKABXLVNSR-CYBMUJFWSA-N 0 0 346.362 3.003 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588925313 460006240 /nfs/dbraw/zinc/00/62/40/460006240.db2.gz ABVYQVKQDHQDGB-MGNBDDOMSA-N 0 0 346.333 3.465 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609676076 460008206 /nfs/dbraw/zinc/00/82/06/460008206.db2.gz NSXIDMUQRWFZAQ-KGLIPLIRSA-N 0 0 340.445 3.231 10 5 EGBERN O=C(NCC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1F ZINC000593914498 460015605 /nfs/dbraw/zinc/01/56/05/460015605.db2.gz CRPZERJXJAPKCH-ZDUSSCGKSA-N 0 0 343.358 3.281 10 5 EGBERN Cc1ccc(C(=O)NCC[C@H]2CCc3ccccc3N2)cc1[N+](=O)[O-] ZINC000593915684 460017531 /nfs/dbraw/zinc/01/75/31/460017531.db2.gz JTTXCQWWVGUWPV-MRXNPFEDSA-N 0 0 339.395 3.450 10 5 EGBERN CC(C)(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)F ZINC000589063525 460022931 /nfs/dbraw/zinc/02/29/31/460022931.db2.gz SYJYYPOXJIEGGX-UHFFFAOYSA-N 0 0 325.315 3.026 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000597693149 460029766 /nfs/dbraw/zinc/02/97/66/460029766.db2.gz UWHJKFQGQIIDIN-LBPRGKRZSA-N 0 0 329.331 3.149 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598779179 460031263 /nfs/dbraw/zinc/03/12/63/460031263.db2.gz BJBUXISBXSCTGJ-UWVGGRQHSA-N 0 0 330.356 3.237 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC1(F)F ZINC000598780519 460032062 /nfs/dbraw/zinc/03/20/62/460032062.db2.gz GRJQSAHGERYONK-VIFPVBQESA-N 0 0 330.356 3.482 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)c3cccc(OC)c3)no2)n1 ZINC000589112734 460032349 /nfs/dbraw/zinc/03/23/49/460032349.db2.gz XSCUZCOPFKGQKJ-JTQLQIEISA-N 0 0 343.343 3.022 10 5 EGBERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609911922 460038280 /nfs/dbraw/zinc/03/82/80/460038280.db2.gz GNIRJUUNQDUQFF-NSHDSACASA-N 0 0 335.791 3.290 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597728397 460041064 /nfs/dbraw/zinc/04/10/64/460041064.db2.gz VKWQOGMRTSKYDO-XHDPSFHLSA-N 0 0 346.412 3.162 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000597729445 460042509 /nfs/dbraw/zinc/04/25/09/460042509.db2.gz JBYLNEBZGKVYSG-AWEZNQCLSA-N 0 0 344.371 3.082 10 5 EGBERN CC(C)(C)n1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)n1 ZINC000593996813 460047567 /nfs/dbraw/zinc/04/75/67/460047567.db2.gz VLQULEJMEDPFJT-UHFFFAOYSA-N 0 0 328.372 3.139 10 5 EGBERN CO[C@H](C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000598827217 460053869 /nfs/dbraw/zinc/05/38/69/460053869.db2.gz GXTJJEWNVGCZCZ-KRWDZBQOSA-N 0 0 343.383 3.017 10 5 EGBERN C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000610046992 460054182 /nfs/dbraw/zinc/05/41/82/460054182.db2.gz UWZDYAQDUWZMNE-OAHLLOKOSA-N 0 0 329.400 3.487 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2nc(C)c(C)s2)CC1 ZINC000576026453 460054667 /nfs/dbraw/zinc/05/46/67/460054667.db2.gz WKHMLJFYWHPHCA-UHFFFAOYSA-N 0 0 348.428 3.003 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000598828846 460055447 /nfs/dbraw/zinc/05/54/47/460055447.db2.gz RUOHDEHAMQFIRY-PSASIEDQSA-N 0 0 332.278 3.367 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610182448 460076581 /nfs/dbraw/zinc/07/65/81/460076581.db2.gz VLGBXCHVDURNSX-MJGOQNOKSA-N 0 0 340.379 3.372 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC)C2CC2)cc1OC ZINC000598872461 460077344 /nfs/dbraw/zinc/07/73/44/460077344.db2.gz TVPVPGMTRZFSKS-KRWDZBQOSA-N 0 0 336.388 3.311 10 5 EGBERN CCCc1nccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598877598 460079477 /nfs/dbraw/zinc/07/94/77/460079477.db2.gz FSFQOPWNDXFKCZ-UHFFFAOYSA-N 0 0 334.763 3.172 10 5 EGBERN COC1CC(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000597861476 460081794 /nfs/dbraw/zinc/08/17/94/460081794.db2.gz MRSAPWLHMOEUPM-UHFFFAOYSA-N 0 0 334.416 3.437 10 5 EGBERN CC(C)(C(=O)N1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000594068079 460084801 /nfs/dbraw/zinc/08/48/01/460084801.db2.gz GMHGQMKBNGWIMC-UHFFFAOYSA-N 0 0 343.358 3.386 10 5 EGBERN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597866333 460085556 /nfs/dbraw/zinc/08/55/56/460085556.db2.gz WFHOIMLYWBCVGI-CQSZACIVSA-N 0 0 342.399 3.102 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](CC(F)(F)F)C1)OCCO2 ZINC000618613934 460085904 /nfs/dbraw/zinc/08/59/04/460085904.db2.gz GNEXIXCDTDNXON-JTQLQIEISA-N 0 0 346.305 3.140 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594074521 460088111 /nfs/dbraw/zinc/08/81/11/460088111.db2.gz XJRCTCROFFHTRY-DZGCQCFKSA-N 0 0 338.791 3.326 10 5 EGBERN COc1cccc(C(=O)Nc2cncc3c2CCCC3)c1[N+](=O)[O-] ZINC000597871064 460088862 /nfs/dbraw/zinc/08/88/62/460088862.db2.gz VATQVHJICIJANX-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598931241 460094173 /nfs/dbraw/zinc/09/41/73/460094173.db2.gz UGARKSDCIRSELD-UHFFFAOYSA-N 0 0 341.371 3.098 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]2c2ccccc2)c1 ZINC000589494364 460095255 /nfs/dbraw/zinc/09/52/55/460095255.db2.gz LWKDKFPXXDRLRM-MRXNPFEDSA-N 0 0 326.352 3.328 10 5 EGBERN CCc1cnc(CN(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000589503321 460096904 /nfs/dbraw/zinc/09/69/04/460096904.db2.gz RVNXLDOUQWJJMC-UHFFFAOYSA-N 0 0 349.412 3.032 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000589502789 460097177 /nfs/dbraw/zinc/09/71/77/460097177.db2.gz AQBSEEWYCNYFJV-MRXNPFEDSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1[C@@H]1CCOC1 ZINC000598953887 460100913 /nfs/dbraw/zinc/10/09/13/460100913.db2.gz GRCXJLQEZZJCBH-OAHLLOKOSA-N 0 0 329.356 3.227 10 5 EGBERN COc1c(C)cccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000594110060 460104852 /nfs/dbraw/zinc/10/48/52/460104852.db2.gz WIFPXTPSBWEMRL-UHFFFAOYSA-N 0 0 343.383 3.030 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000597919581 460110593 /nfs/dbraw/zinc/11/05/93/460110593.db2.gz NZHZWFGWUUATKK-LLVKDONJSA-N 0 0 348.378 3.079 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000597919573 460111161 /nfs/dbraw/zinc/11/11/61/460111161.db2.gz NVVMYLVUWHPRIS-CYBMUJFWSA-N 0 0 340.807 3.492 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000597920179 460112547 /nfs/dbraw/zinc/11/25/47/460112547.db2.gz UBKAJKKULWDXAT-LLVKDONJSA-N 0 0 348.378 3.250 10 5 EGBERN COc1cc(C(=O)N2CCC(c3ccco3)CC2)c([N+](=O)[O-])cc1F ZINC000597925684 460113648 /nfs/dbraw/zinc/11/36/48/460113648.db2.gz PRKRGRHMEDPENU-UHFFFAOYSA-N 0 0 348.330 3.355 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000594138020 460121631 /nfs/dbraw/zinc/12/16/31/460121631.db2.gz CLHVXPXHNINGBM-AULYBMBSSA-N 0 0 332.356 3.417 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597954294 460126250 /nfs/dbraw/zinc/12/62/50/460126250.db2.gz IDBQRUBSGQWUSY-GFCCVEGCSA-N 0 0 330.388 3.335 10 5 EGBERN Cc1nn(CCC(=O)N2CCCC3(CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000597954885 460126617 /nfs/dbraw/zinc/12/66/17/460126617.db2.gz NKMWXHAQNOLIEP-UHFFFAOYSA-N 0 0 348.447 3.371 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594173605 460136876 /nfs/dbraw/zinc/13/68/76/460136876.db2.gz CJUDTERQHVIZGD-YLFCFFPRSA-N 0 0 332.400 3.162 10 5 EGBERN CC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594175629 460137813 /nfs/dbraw/zinc/13/78/13/460137813.db2.gz MCMMHALTZIEYBS-GDBMZVCRSA-N 0 0 334.416 3.336 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000589817996 460142783 /nfs/dbraw/zinc/14/27/83/460142783.db2.gz CGRZVVIUXXYGIC-LLVKDONJSA-N 0 0 329.356 3.266 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCSC2(CCOCC2)C1 ZINC000599068348 460148608 /nfs/dbraw/zinc/14/86/08/460148608.db2.gz NNOVSFMSKXUUSX-UHFFFAOYSA-N 0 0 345.424 3.245 10 5 EGBERN O=[N+]([O-])c1c(NCCCO[C@@H]2CCCCO2)ccc2cnccc21 ZINC000599071189 460150719 /nfs/dbraw/zinc/15/07/19/460150719.db2.gz QAQQVQKGAGDGRN-MRXNPFEDSA-N 0 0 331.372 3.488 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594206753 460151668 /nfs/dbraw/zinc/15/16/68/460151668.db2.gz REIWRYPDQKBXGS-CQSZACIVSA-N 0 0 332.400 3.433 10 5 EGBERN COc1c(C)cccc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594211532 460154498 /nfs/dbraw/zinc/15/44/98/460154498.db2.gz FFKVXGXQROKWHE-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599100364 460161255 /nfs/dbraw/zinc/16/12/55/460161255.db2.gz CJQKGYOFFDEQNN-PSVOKBTDSA-N 0 0 333.413 3.245 10 5 EGBERN CCOc1cccc(NC[C@H](n2cccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC000599116536 460164445 /nfs/dbraw/zinc/16/44/45/460164445.db2.gz JJHZTVPWNGTCQR-LBPRGKRZSA-N 0 0 344.293 3.406 10 5 EGBERN COc1cc(NC[C@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1C ZINC000599119048 460165885 /nfs/dbraw/zinc/16/58/85/460165885.db2.gz XDWJVPMEACTMPN-ZDUSSCGKSA-N 0 0 344.293 3.324 10 5 EGBERN C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C(F)(F)F ZINC000599130163 460168577 /nfs/dbraw/zinc/16/85/77/460168577.db2.gz PYEAEIVLLLQHJY-SECBINFHSA-N 0 0 344.293 3.373 10 5 EGBERN C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000610516928 460172923 /nfs/dbraw/zinc/17/29/23/460172923.db2.gz KMYUBCFYHHCJHY-SECBINFHSA-N 0 0 337.177 3.363 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599164309 460183503 /nfs/dbraw/zinc/18/35/03/460183503.db2.gz LLVYEUHYCIKWPQ-FMCOEWMSSA-N 0 0 342.779 3.259 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598136703 460185468 /nfs/dbraw/zinc/18/54/68/460185468.db2.gz FCIBJSCUTUPQPX-AWEZNQCLSA-N 0 0 348.380 3.243 10 5 EGBERN Cc1cccc([C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C(C)C)c1 ZINC000599172810 460186967 /nfs/dbraw/zinc/18/69/67/460186967.db2.gz RGTZRZSFZDMHDF-CQSZACIVSA-N 0 0 328.372 3.206 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000599178181 460189541 /nfs/dbraw/zinc/18/95/41/460189541.db2.gz CNDMMWMPEZOOED-UHFFFAOYSA-N 0 0 342.424 3.460 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000599181067 460189974 /nfs/dbraw/zinc/18/99/74/460189974.db2.gz PHAYPCYJPQJJPY-GOEBONIOSA-N 0 0 325.368 3.058 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CO[C@@H](C4CC4)C3)n2)cc1 ZINC000599182275 460191122 /nfs/dbraw/zinc/19/11/22/460191122.db2.gz XOHUAVLQCBXHHG-SWLSCSKDSA-N 0 0 331.397 3.120 10 5 EGBERN C[C@@H]1CC(=O)N(C)c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc21 ZINC000599183166 460191170 /nfs/dbraw/zinc/19/11/70/460191170.db2.gz XSMPWJGVDMZPFN-SECBINFHSA-N 0 0 346.774 3.279 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCOC(C)(C)C ZINC000598187129 460198095 /nfs/dbraw/zinc/19/80/95/460198095.db2.gz RODXARIMPFJCLS-UHFFFAOYSA-N 0 0 328.796 3.492 10 5 EGBERN C[C@H]1CC(F)(F)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000599207288 460199587 /nfs/dbraw/zinc/19/95/87/460199587.db2.gz VAZBDYGIQZCWTA-JTQLQIEISA-N 0 0 337.330 3.014 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594399723 460205964 /nfs/dbraw/zinc/20/59/64/460205964.db2.gz BOQAIGPSKTVXMC-NSHDSACASA-N 0 0 328.796 3.429 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000598216443 460207350 /nfs/dbraw/zinc/20/73/50/460207350.db2.gz ZWEUDDOYJQQZGJ-JQWIXIFHSA-N 0 0 326.780 3.244 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000598217626 460208758 /nfs/dbraw/zinc/20/87/58/460208758.db2.gz UZPPITJFWKPIOB-IUODEOHRSA-N 0 0 326.343 3.325 10 5 EGBERN C[C@@]1(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(F)F ZINC000598220663 460209957 /nfs/dbraw/zinc/20/99/57/460209957.db2.gz PKBMUCKWSWMKIQ-OAHLLOKOSA-N 0 0 337.326 3.170 10 5 EGBERN COc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(C2CC2)cc1Cl ZINC000594415397 460211789 /nfs/dbraw/zinc/21/17/89/460211789.db2.gz OJCCPBSGDHMOAJ-UHFFFAOYSA-N 0 0 336.735 3.110 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594417524 460211840 /nfs/dbraw/zinc/21/18/40/460211840.db2.gz KNOGBRRYBBYKBH-LBPRGKRZSA-N 0 0 343.383 3.298 10 5 EGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594423130 460214217 /nfs/dbraw/zinc/21/42/17/460214217.db2.gz YDCUTJFTUMBMKA-SECBINFHSA-N 0 0 327.331 3.121 10 5 EGBERN CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610716638 460223861 /nfs/dbraw/zinc/22/38/61/460223861.db2.gz HHJVXSJLMDAARM-OAHLLOKOSA-N 0 0 346.387 3.251 10 5 EGBERN COC(=O)c1cc(NC[C@@H](C)c2ccncc2)cc(C)c1[N+](=O)[O-] ZINC000610770285 460234540 /nfs/dbraw/zinc/23/45/40/460234540.db2.gz UHTPOTWHJPJYTO-GFCCVEGCSA-N 0 0 329.356 3.300 10 5 EGBERN COC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000599448934 460256180 /nfs/dbraw/zinc/25/61/80/460256180.db2.gz DJXWWNPLVSZKBM-UHFFFAOYSA-N 0 0 349.774 3.062 10 5 EGBERN C/C=C/C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599527454 460268466 /nfs/dbraw/zinc/26/84/66/460268466.db2.gz AURLGVXXRCQXMO-BAABZTOOSA-N 0 0 338.429 3.103 10 5 EGBERN CCOC(=O)CCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000610995734 460275325 /nfs/dbraw/zinc/27/53/25/460275325.db2.gz CEEDHECPWMYNPE-UHFFFAOYSA-N 0 0 338.379 3.289 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000619147292 460279404 /nfs/dbraw/zinc/27/94/04/460279404.db2.gz RTOVYUBIDNSYHB-CYBMUJFWSA-N 0 0 331.416 3.313 10 5 EGBERN CC(C)(NCc1cn2cccc(F)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000611119915 460291956 /nfs/dbraw/zinc/29/19/56/460291956.db2.gz KSDNPZBEBGBAQB-UHFFFAOYSA-N 0 0 328.347 3.407 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]2CCC[C@@H]21 ZINC000599650142 460297690 /nfs/dbraw/zinc/29/76/90/460297690.db2.gz CUKYQTGJQOPOEU-INMHGKMJSA-N 0 0 332.400 3.067 10 5 EGBERN CCc1ccccc1CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599656979 460299730 /nfs/dbraw/zinc/29/97/30/460299730.db2.gz ZVPVAQBFLRWKSA-IBGZPJMESA-N 0 0 342.395 3.335 10 5 EGBERN CSc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000611246811 460316388 /nfs/dbraw/zinc/31/63/88/460316388.db2.gz RLCDMYHVQGOBFQ-UHFFFAOYSA-N 0 0 332.385 3.376 10 5 EGBERN Cc1cc(C(F)F)oc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599744196 460325368 /nfs/dbraw/zinc/32/53/68/460325368.db2.gz PKKOSCARNXURRS-UHFFFAOYSA-N 0 0 337.282 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)c1ccncc1 ZINC000611282226 460328400 /nfs/dbraw/zinc/32/84/00/460328400.db2.gz JCZHJZARZYJGFC-CYBMUJFWSA-N 0 0 327.384 3.449 10 5 EGBERN O=[N+]([O-])c1ccsc1NCc1ccc(CN2CCOCC2)cc1 ZINC000611290049 460330549 /nfs/dbraw/zinc/33/05/49/460330549.db2.gz ZRKLEQCHLJBEAT-UHFFFAOYSA-N 0 0 333.413 3.101 10 5 EGBERN O=C([C@H]1CC12CCN(c1ccc([N+](=O)[O-])s1)CC2)N1CCCCC1 ZINC000611298785 460332223 /nfs/dbraw/zinc/33/22/23/460332223.db2.gz UISPSKMMFUQTDL-CYBMUJFWSA-N 0 0 349.456 3.275 10 5 EGBERN O=C([C@H]1CC12CCN(c1ccsc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611298910 460332277 /nfs/dbraw/zinc/33/22/77/460332277.db2.gz QIXYQFAKLNCJFW-CYBMUJFWSA-N 0 0 349.456 3.275 10 5 EGBERN CC(C)OCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830814 460343196 /nfs/dbraw/zinc/34/31/96/460343196.db2.gz NGXQIBDRKAHIEZ-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN COCCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832887 460344019 /nfs/dbraw/zinc/34/40/19/460344019.db2.gz MGKAZOSKRAOQNN-UHFFFAOYSA-N 0 0 346.387 3.327 10 5 EGBERN C[C@H](O)CC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831553 460344115 /nfs/dbraw/zinc/34/41/15/460344115.db2.gz OLRKKGKCFJPQQM-NSHDSACASA-N 0 0 346.387 3.062 10 5 EGBERN CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599841245 460347037 /nfs/dbraw/zinc/34/70/37/460347037.db2.gz WKIXHCHGKNFSMP-ZBEGNZNMSA-N 0 0 344.371 3.032 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431655 460354933 /nfs/dbraw/zinc/35/49/33/460354933.db2.gz VHWGFKIKNKQGDD-MWLCHTKSSA-N 0 0 346.305 3.139 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cn(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000599917508 460359063 /nfs/dbraw/zinc/35/90/63/460359063.db2.gz RCWHZNRFUJWIJK-UHFFFAOYSA-N 0 0 329.360 3.071 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000603927842 460360977 /nfs/dbraw/zinc/36/09/77/460360977.db2.gz XNLUEFZRPTVGKH-UHFFFAOYSA-N 0 0 349.774 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000600044225 460372875 /nfs/dbraw/zinc/37/28/75/460372875.db2.gz QVAKYJVZWWRWFI-AWEZNQCLSA-N 0 0 345.399 3.013 10 5 EGBERN COc1cc(CN2CCC(=O)Nc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000611516596 460384399 /nfs/dbraw/zinc/38/43/99/460384399.db2.gz DUEMKPWIPUZZMN-UHFFFAOYSA-N 0 0 345.330 3.091 10 5 EGBERN O=C(Nc1cccc2cnncc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619573686 460386915 /nfs/dbraw/zinc/38/69/15/460386915.db2.gz OTYSUXNTOUMRGQ-UHFFFAOYSA-N 0 0 333.307 3.272 10 5 EGBERN Nc1cc(NCc2cccc(C(F)(F)F)c2)cc(CO)c1[N+](=O)[O-] ZINC000611525121 460387572 /nfs/dbraw/zinc/38/75/72/460387572.db2.gz JPNVNJOJQNRTIY-UHFFFAOYSA-N 0 0 341.289 3.300 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000611560635 460400095 /nfs/dbraw/zinc/40/00/95/460400095.db2.gz HXASOJGKRYJIMX-CYBMUJFWSA-N 0 0 330.392 3.129 10 5 EGBERN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](O)CC(F)(F)C3)o2)c1 ZINC000615849309 460407575 /nfs/dbraw/zinc/40/75/75/460407575.db2.gz HAVJJAXBLPQBHC-ZDUSSCGKSA-N 0 0 338.310 3.057 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n1 ZINC000611617421 460415257 /nfs/dbraw/zinc/41/52/57/460415257.db2.gz QDXNWERMIUUQJQ-GJZGRUSLSA-N 0 0 331.347 3.058 10 5 EGBERN CN(CCOC(C)(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618830 460415657 /nfs/dbraw/zinc/41/56/57/460415657.db2.gz YLHKMIJXDCHNEA-UHFFFAOYSA-N 0 0 346.330 3.083 10 5 EGBERN Cn1ccnc1C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619696464 460417216 /nfs/dbraw/zinc/41/72/16/460417216.db2.gz QADMJXSRLZAQKM-LBPRGKRZSA-N 0 0 329.385 3.181 10 5 EGBERN O=C(NC[C@@H]1Cc2ccccc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611635012 460419780 /nfs/dbraw/zinc/41/97/80/460419780.db2.gz DPTCOQZQJKOAGQ-LBPRGKRZSA-N 0 0 348.305 3.266 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000600207653 460440666 /nfs/dbraw/zinc/44/06/66/460440666.db2.gz LNVBFMXUYYLWNU-HZPDHXFCSA-N 0 0 325.368 3.220 10 5 EGBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnoc1 ZINC000604542548 460443529 /nfs/dbraw/zinc/44/35/29/460443529.db2.gz JAOUVBXLIZTGFN-UHFFFAOYSA-N 0 0 344.249 3.042 10 5 EGBERN COC[C@@]1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212539 460443958 /nfs/dbraw/zinc/44/39/58/460443958.db2.gz FVUWGFHCMZSEOP-GOSISDBHSA-N 0 0 346.383 3.092 10 5 EGBERN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214032 460444227 /nfs/dbraw/zinc/44/42/27/460444227.db2.gz CVYCEDWSPJZIFZ-GOSISDBHSA-N 0 0 340.379 3.176 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600441948 460495889 /nfs/dbraw/zinc/49/58/89/460495889.db2.gz CPBHCSMLBNXWCR-VXFNFUGZSA-N 0 0 346.305 3.155 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600445185 460497058 /nfs/dbraw/zinc/49/70/58/460497058.db2.gz ZTSGRKVNLJHSQY-VXFNFUGZSA-N 0 0 346.305 3.155 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000600478632 460503131 /nfs/dbraw/zinc/50/31/31/460503131.db2.gz PEAKODNTLITKHZ-FHLIZLRMSA-N 0 0 342.782 3.245 10 5 EGBERN Cc1nn(Cc2ccc(Br)c(F)c2F)c(C)c1[N+](=O)[O-] ZINC000600509696 460506609 /nfs/dbraw/zinc/50/66/09/460506609.db2.gz SJBFZNAEGGYUSC-UHFFFAOYSA-N 0 0 346.131 3.497 10 5 EGBERN CC1(C)C[C@H](S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CO1 ZINC000600570640 460527738 /nfs/dbraw/zinc/52/77/38/460527738.db2.gz QHCSVMOGAHPZEQ-UONOGXRCSA-N 0 0 336.413 3.001 10 5 EGBERN O=C(CSCCOc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000600571547 460528813 /nfs/dbraw/zinc/52/88/13/460528813.db2.gz OVJJIRXECIDHPS-UHFFFAOYSA-N 0 0 338.429 3.156 10 5 EGBERN O=C(CSC[C@@H]1C[C@H]2C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000600581589 460533443 /nfs/dbraw/zinc/53/34/43/460533443.db2.gz UHSIRGPBXBOQSN-UBSAEIQESA-N 0 0 332.425 3.263 10 5 EGBERN COc1cccc(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000612096579 460538214 /nfs/dbraw/zinc/53/82/14/460538214.db2.gz NDZCGSNFEQHHKG-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000601211705 460751949 /nfs/dbraw/zinc/75/19/49/460751949.db2.gz JVTZPWYFKUEZLE-CQSZACIVSA-N 0 0 327.384 3.232 10 5 EGBERN COc1ccc(CN(c2ncccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC000601226274 460756823 /nfs/dbraw/zinc/75/68/23/460756823.db2.gz DQUXLAUNSUITBO-CQSZACIVSA-N 0 0 345.399 3.166 10 5 EGBERN COCC1(C2CC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601237921 460761542 /nfs/dbraw/zinc/76/15/42/460761542.db2.gz OHTCGQFGUNOQAA-UHFFFAOYSA-N 0 0 339.779 3.139 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([C@H]2CCCCO2)CCC1 ZINC000601241728 460763949 /nfs/dbraw/zinc/76/39/49/460763949.db2.gz FNQDEYVVBWCTPY-MRXNPFEDSA-N 0 0 347.415 3.106 10 5 EGBERN Cc1cnc(N2CC[C@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])c1 ZINC000601255304 460766194 /nfs/dbraw/zinc/76/61/94/460766194.db2.gz BGLGTPMJDYZXRK-AWEZNQCLSA-N 0 0 335.367 3.235 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2cccnc2)C1 ZINC000601253654 460766704 /nfs/dbraw/zinc/76/67/04/460766704.db2.gz WEUUXSHUVSLIFL-AWEZNQCLSA-N 0 0 326.356 3.401 10 5 EGBERN CO[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)(C)C ZINC000601267690 460769622 /nfs/dbraw/zinc/76/96/22/460769622.db2.gz RBLURTJYJPEMIW-HNNXBMFYSA-N 0 0 334.416 3.194 10 5 EGBERN C[C@H](NS(=O)(=O)C1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601310790 460783964 /nfs/dbraw/zinc/78/39/64/460783964.db2.gz UHNIJWSQUIBVCD-AVERBVTBSA-N 0 0 326.418 3.154 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000601320175 460787850 /nfs/dbraw/zinc/78/78/50/460787850.db2.gz XBXZERDCUJXRFG-GFCCVEGCSA-N 0 0 336.344 3.009 10 5 EGBERN Cc1ccc(CN(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])s1 ZINC000601335795 460790170 /nfs/dbraw/zinc/79/01/70/460790170.db2.gz SIWHXFMDJJSIJV-UHFFFAOYSA-N 0 0 346.455 3.155 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000601368178 460796899 /nfs/dbraw/zinc/79/68/99/460796899.db2.gz MIYZQIMEOWPNNR-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CC(C)[C@H](O)C(C)(C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367894 460796929 /nfs/dbraw/zinc/79/69/29/460796929.db2.gz DFJLWKUQWWWPFL-INIZCTEOSA-N 0 0 348.443 3.176 10 5 EGBERN Cc1cc(-c2noc(-c3cn4c(n3)C[C@H](C)CC4)n2)cc([N+](=O)[O-])c1 ZINC000601379811 460799397 /nfs/dbraw/zinc/79/93/97/460799397.db2.gz DOSCNSHNEWKMKY-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN CSC1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601533834 460826064 /nfs/dbraw/zinc/82/60/64/460826064.db2.gz DLXCMJBGYOZTGX-UHFFFAOYSA-N 0 0 334.441 3.418 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccco1 ZINC000601563016 460832899 /nfs/dbraw/zinc/83/28/99/460832899.db2.gz VUCFYUDNTHTYHF-HNNXBMFYSA-N 0 0 329.356 3.481 10 5 EGBERN CC1(C)CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 ZINC000601563018 460833257 /nfs/dbraw/zinc/83/32/57/460833257.db2.gz VUCFYUDNTHTYHF-OAHLLOKOSA-N 0 0 329.356 3.481 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1 ZINC000617386988 460840594 /nfs/dbraw/zinc/84/05/94/460840594.db2.gz URMWDYFCNQXRST-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN O=C(NC1(C(F)(F)F)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601615444 460847839 /nfs/dbraw/zinc/84/78/39/460847839.db2.gz IISDVQSDBOJYIM-UHFFFAOYSA-N 0 0 328.290 3.228 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601639341 460853330 /nfs/dbraw/zinc/85/33/30/460853330.db2.gz IEPHXZKWBWTYQZ-HOCLYGCPSA-N 0 0 332.400 3.090 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000601659280 460859936 /nfs/dbraw/zinc/85/99/36/460859936.db2.gz NTIAHAWPXLHQRW-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN CC1(C(=O)CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC1 ZINC000601687037 460868633 /nfs/dbraw/zinc/86/86/33/460868633.db2.gz YTRTTYMXFQHTAR-UHFFFAOYSA-N 0 0 344.411 3.282 10 5 EGBERN CC1(C)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000601701052 460875331 /nfs/dbraw/zinc/87/53/31/460875331.db2.gz UWRJTENBIRJMPN-MRXNPFEDSA-N 0 0 332.331 3.479 10 5 EGBERN CCOc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000601703990 460876351 /nfs/dbraw/zinc/87/63/51/460876351.db2.gz YJXWOHAMRGKBDB-UHFFFAOYSA-N 0 0 329.356 3.378 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000601762877 460892095 /nfs/dbraw/zinc/89/20/95/460892095.db2.gz ANMOEWVPPKOGOB-SUNKGSAMSA-N 0 0 338.429 3.391 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CCSCCc1cccc(F)c1F ZINC000601918312 460942937 /nfs/dbraw/zinc/94/29/37/460942937.db2.gz UMTSSGULIOLUAR-UHFFFAOYSA-N 0 0 327.356 3.354 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180588134 534341466 /nfs/dbraw/zinc/34/14/66/534341466.db2.gz QNPDRCBJSDXZBL-OAHLLOKOSA-N 0 0 329.360 3.385 10 5 EGBERN Cc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)s1 ZINC000179150841 534871527 /nfs/dbraw/zinc/87/15/27/534871527.db2.gz MDXGMCFEKJCLAR-UHFFFAOYSA-N 0 0 331.397 3.473 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(Nc3cccnn3)CC2)ccc1Cl ZINC000153793609 534879898 /nfs/dbraw/zinc/87/98/98/534879898.db2.gz DHAPXNXLOLZNPZ-UHFFFAOYSA-N 0 0 347.806 3.115 10 5 EGBERN CC(C)Oc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cn1 ZINC000103375817 534977869 /nfs/dbraw/zinc/97/78/69/534977869.db2.gz RVOXRCPJEIDDCZ-GFCCVEGCSA-N 0 0 341.367 3.368 10 5 EGBERN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000182997164 547088085 /nfs/dbraw/zinc/08/80/85/547088085.db2.gz LERVXWDPDIDDLR-QMMMGPOBSA-N 0 0 339.804 3.259 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000362566382 547771427 /nfs/dbraw/zinc/77/14/27/547771427.db2.gz DHDBIOPTDGQJSK-UHFFFAOYSA-N 0 0 325.328 3.101 10 5 EGBERN CC[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000726006312 574521821 /nfs/dbraw/zinc/52/18/21/574521821.db2.gz HTUZQDNFIIHHPD-OAHLLOKOSA-N 0 0 348.355 3.315 10 5 EGBERN CN(C)c1ncccc1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727770831 574689307 /nfs/dbraw/zinc/68/93/07/574689307.db2.gz JHGHUOLULGWTSC-UHFFFAOYSA-N 0 0 349.778 3.031 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728502738 574755575 /nfs/dbraw/zinc/75/55/75/574755575.db2.gz OGUVVABRNIMCGO-ZFWWWQNUSA-N 0 0 338.379 3.444 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cnn(CCC(F)(F)F)c1 ZINC000752289417 574808118 /nfs/dbraw/zinc/80/81/18/574808118.db2.gz BWXJWMXOZJMHGH-UHFFFAOYSA-N 0 0 349.290 3.162 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2ncon2)cc1 ZINC000730486803 574991569 /nfs/dbraw/zinc/99/15/69/574991569.db2.gz KTKCTFPFMODANH-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCc2ccccc2C1=O ZINC000731510429 575078273 /nfs/dbraw/zinc/07/82/73/575078273.db2.gz ODKGTORMETUXSX-INIZCTEOSA-N 0 0 340.335 3.043 10 5 EGBERN CCCCc1noc([C@@H](C)OC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000731527919 575079258 /nfs/dbraw/zinc/07/92/58/575079258.db2.gz OJUTWFDTOAGVQU-SECBINFHSA-N 0 0 337.307 3.378 10 5 EGBERN C/C(=C/C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000731994304 575229888 /nfs/dbraw/zinc/22/98/88/575229888.db2.gz SJNOSPFCUVDJEB-QBFSEMIESA-N 0 0 344.342 3.332 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000732401561 575266683 /nfs/dbraw/zinc/26/66/83/575266683.db2.gz JPUOIFGLAILWKA-SREVYHEPSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/C(C)(C)C)cccc1[N+](=O)[O-] ZINC000732405492 575267560 /nfs/dbraw/zinc/26/75/60/575267560.db2.gz UCGIXZRMKBQDSL-VMPCVLLUSA-N 0 0 334.372 3.376 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000732941828 575297608 /nfs/dbraw/zinc/29/76/08/575297608.db2.gz FLRSATILLCBQNB-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000732982807 575298953 /nfs/dbraw/zinc/29/89/53/575298953.db2.gz ULQCRLXLVIUMCC-YVMONPNESA-N 0 0 343.339 3.429 10 5 EGBERN O=C(OCc1noc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1F ZINC000733105846 575309307 /nfs/dbraw/zinc/30/93/07/575309307.db2.gz UXUHRIAONBVFSL-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000733190378 575318953 /nfs/dbraw/zinc/31/89/53/575318953.db2.gz VFBOAAGMKQNXPG-CYBMUJFWSA-N 0 0 348.428 3.042 10 5 EGBERN Cc1cnn(CCCCCOC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000733437339 575345803 /nfs/dbraw/zinc/34/58/03/575345803.db2.gz NQRNXHXEHLYRPU-UHFFFAOYSA-N 0 0 337.401 3.497 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734003086 575421375 /nfs/dbraw/zinc/42/13/75/575421375.db2.gz BQECKIHSQKVBCC-JTQLQIEISA-N 0 0 332.809 3.201 10 5 EGBERN COc1cc(C(=O)OCc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000734586993 575521655 /nfs/dbraw/zinc/52/16/55/575521655.db2.gz LXDYLYKNQWDWKZ-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN CC(C)n1ccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000735136763 575604428 /nfs/dbraw/zinc/60/44/28/575604428.db2.gz OTPXGFCXZFNLGK-UHFFFAOYSA-N 0 0 328.328 3.211 10 5 EGBERN CN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2Cl)CC1 ZINC000735487169 575668518 /nfs/dbraw/zinc/66/85/18/575668518.db2.gz QZAWRFBNJLYFGD-UHFFFAOYSA-N 0 0 347.806 3.139 10 5 EGBERN CSc1ccc(C(=O)OCCC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000756071801 576027891 /nfs/dbraw/zinc/02/78/91/576027891.db2.gz HDEUVOMHCOIEBI-GFCCVEGCSA-N 0 0 325.386 3.433 10 5 EGBERN CCOC(=O)c1cccc(OC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000741885178 576731204 /nfs/dbraw/zinc/73/12/04/576731204.db2.gz UXXQNWYOMFKQHR-UHFFFAOYSA-N 0 0 329.308 3.299 10 5 EGBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC2(C1)CCCCC2 ZINC000741975826 576739186 /nfs/dbraw/zinc/73/91/86/576739186.db2.gz VWIOXLRDTHJYOQ-UHFFFAOYSA-N 0 0 342.399 3.127 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000742015726 576742777 /nfs/dbraw/zinc/74/27/77/576742777.db2.gz KNUHZMRYZWTAST-GFCCVEGCSA-N 0 0 345.399 3.313 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nccn1CC(F)(F)F ZINC000742258605 576763633 /nfs/dbraw/zinc/76/36/33/576763633.db2.gz JNBSICCPMLMICV-JTQLQIEISA-N 0 0 340.305 3.305 10 5 EGBERN CN(CC(=O)OCc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000744382179 576826740 /nfs/dbraw/zinc/82/67/40/576826740.db2.gz RYPBWLWQFRHIBW-UHFFFAOYSA-N 0 0 340.379 3.263 10 5 EGBERN CCN(C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103060 576841341 /nfs/dbraw/zinc/84/13/41/576841341.db2.gz ZGNIPZBNKWLFEN-OAHLLOKOSA-N 0 0 334.397 3.393 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccccc2)c1 ZINC000084576652 1292708194 /nfs/dbraw/zinc/70/81/94/1292708194.db2.gz MEBWVDPGNPYBAE-MDZDMXLPSA-N 0 0 334.335 3.432 10 5 EGBERN COc1cc(C)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000087060621 1292738271 /nfs/dbraw/zinc/73/82/71/1292738271.db2.gz WMQKNTQVTLAGDQ-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN C[C@H](NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000096879140 1292955028 /nfs/dbraw/zinc/95/50/28/1292955028.db2.gz FBYGJKJZUPDOJJ-LWTINBJPSA-N 0 0 346.364 3.276 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C\c2ccc(F)c(F)c2)cc1 ZINC000096891477 1292955375 /nfs/dbraw/zinc/95/53/75/1292955375.db2.gz ZIAXRBIEHCROHN-FPLPWBNLSA-N 0 0 325.292 3.318 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cccc(Cl)c2)c1 ZINC000133912869 1293757000 /nfs/dbraw/zinc/75/70/00/1293757000.db2.gz AFRDYAQZAVFYCZ-UHFFFAOYSA-N 0 0 327.745 3.157 10 5 EGBERN Cc1cc(=O)n(Cc2cc3ccccc3nc2Cl)cc1[N+](=O)[O-] ZINC000173225374 1294457045 /nfs/dbraw/zinc/45/70/45/1294457045.db2.gz PVHSBGNEKFDNPW-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000175676809 1294569432 /nfs/dbraw/zinc/56/94/32/1294569432.db2.gz JVEXYCWRVLDHGP-QWRGUYRKSA-N 0 0 344.820 3.059 10 5 EGBERN COc1cncc(C(=O)O[C@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])c1C ZINC000870455317 1295881701 /nfs/dbraw/zinc/88/17/01/1295881701.db2.gz XBPCGJJCZYZADA-BZNIZROVSA-N 0 0 348.330 3.101 10 5 EGBERN CC[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000870678265 1296014125 /nfs/dbraw/zinc/01/41/25/1296014125.db2.gz PTJMUUDMMGMJNX-SFHVURJKSA-N 0 0 328.368 3.125 10 5 EGBERN CC(=O)c1cc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)n(C)c1 ZINC000870700177 1296027832 /nfs/dbraw/zinc/02/78/32/1296027832.db2.gz SJKZCZGPRATOIF-UHFFFAOYSA-N 0 0 330.340 3.110 10 5 EGBERN C/C(=C\C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870829658 1296108009 /nfs/dbraw/zinc/10/80/09/1296108009.db2.gz NOTHDJWZFKEQTI-IZZDOVSWSA-N 0 0 345.330 3.281 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCCS1 ZINC000871025964 1296182102 /nfs/dbraw/zinc/18/21/02/1296182102.db2.gz FGXHFFJYIZFKLG-HNNXBMFYSA-N 0 0 337.445 3.189 10 5 EGBERN CC(C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCCO1 ZINC000871164205 1296252689 /nfs/dbraw/zinc/25/26/89/1296252689.db2.gz PSPIXOYPLHMZFD-OAHLLOKOSA-N 0 0 331.372 3.154 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000871301476 1296331589 /nfs/dbraw/zinc/33/15/89/1296331589.db2.gz HKALAEVIWYGACU-XQDAIKIWSA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C\C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871304183 1296334007 /nfs/dbraw/zinc/33/40/07/1296334007.db2.gz YCSAKQIQNXLASA-VAEPDLKGSA-N 0 0 344.411 3.320 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000871326312 1296350851 /nfs/dbraw/zinc/35/08/51/1296350851.db2.gz DIZHBEXUTQSWTR-AWEZNQCLSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871328717 1296352660 /nfs/dbraw/zinc/35/26/60/1296352660.db2.gz HGGTXYCIERBWRX-CQSZACIVSA-N 0 0 336.363 3.298 10 5 EGBERN Cn1c(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000871374722 1296379839 /nfs/dbraw/zinc/37/98/39/1296379839.db2.gz NRLOTLSYXUDKJX-KRWDZBQOSA-N 0 0 331.347 3.034 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871693447 1296483940 /nfs/dbraw/zinc/48/39/40/1296483940.db2.gz ADJVGZMVAWBGBY-LPEHRKFASA-N 0 0 343.177 3.089 10 5 EGBERN C[C@H](NCC(=O)N(C)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025320 1296667612 /nfs/dbraw/zinc/66/76/12/1296667612.db2.gz KPOAMPBTEYFASU-ZDUSSCGKSA-N 0 0 345.374 3.043 10 5 EGBERN COCCOc1ccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025837 1296671524 /nfs/dbraw/zinc/67/15/24/1296671524.db2.gz UNSQSGNXOGARHG-LBPRGKRZSA-N 0 0 349.362 3.005 10 5 EGBERN CC(=O)NCc1ccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872086841 1296725258 /nfs/dbraw/zinc/72/52/58/1296725258.db2.gz YELAVSTWLJTKOZ-GFCCVEGCSA-N 0 0 345.374 3.221 10 5 EGBERN C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087510 1296727354 /nfs/dbraw/zinc/72/73/54/1296727354.db2.gz IZRFSSOUAGFFFM-JOYOIKCWSA-N 0 0 346.284 3.385 10 5 EGBERN CNC(=O)c1ccc(N2CCc3cc(C)cc(C)c3C2)c([N+](=O)[O-])c1 ZINC000302425256 1296801646 /nfs/dbraw/zinc/80/16/46/1296801646.db2.gz NMUJJWSDUARCAN-UHFFFAOYSA-N 0 0 339.395 3.134 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000873333307 1297441561 /nfs/dbraw/zinc/44/15/61/1297441561.db2.gz HXBLPKVPCRFCMT-OTVXOJSOSA-N 0 0 348.399 3.167 10 5 EGBERN COc1ccc(C(=O)O[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000873571696 1297595234 /nfs/dbraw/zinc/59/52/34/1297595234.db2.gz GBZVIBRZIBVEIW-DOMZBBRYSA-N 0 0 337.372 3.354 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCOC2(CCCC2)C1 ZINC000873581994 1297607871 /nfs/dbraw/zinc/60/78/71/1297607871.db2.gz YHALVWNKURTTQT-HNNXBMFYSA-N 0 0 335.356 3.009 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cc(Br)no2)c(Cl)c1 ZINC000718899607 1298310493 /nfs/dbraw/zinc/31/04/93/1298310493.db2.gz VHWBYCZSKFPJEY-UHFFFAOYSA-N 0 0 333.529 3.006 10 5 EGBERN Cc1ccc(Br)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000876818047 1299010403 /nfs/dbraw/zinc/01/04/03/1299010403.db2.gz KYFZXIYIIQXKDV-UHFFFAOYSA-N 0 0 325.166 3.011 10 5 EGBERN CCC[C@H](O)CCCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000865380787 1329690308 /nfs/dbraw/zinc/69/03/08/1329690308.db2.gz CLJMIQNBSGPLAI-LBPRGKRZSA-N 0 0 326.418 3.208 10 5 EGBERN CO[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000865930048 1329752312 /nfs/dbraw/zinc/75/23/12/1329752312.db2.gz HGTWFHVXDDLXOQ-KWQFWETISA-N 0 0 335.187 3.365 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880111440 1300934573 /nfs/dbraw/zinc/93/45/73/1300934573.db2.gz ZWDHJSLMOYPPDA-YIZWMMSDSA-N 0 0 346.383 3.065 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000882195336 1301874525 /nfs/dbraw/zinc/87/45/25/1301874525.db2.gz XZHGWKFANLQHSI-CYBMUJFWSA-N 0 0 348.399 3.356 10 5 EGBERN CC(=O)c1c(NC[C@H](c2ccnn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000882242773 1301889692 /nfs/dbraw/zinc/88/96/92/1301889692.db2.gz SNLJGKNQNJZDBR-ZDUSSCGKSA-N 0 0 330.388 3.383 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(c2c[nH]nc2C)CC1 ZINC000882328166 1301926419 /nfs/dbraw/zinc/92/64/19/1301926419.db2.gz BBGHGHQHHZWFGA-UHFFFAOYSA-N 0 0 328.372 3.213 10 5 EGBERN CC(=O)c1c(N(C)C[C@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000882513922 1301999583 /nfs/dbraw/zinc/99/95/83/1301999583.db2.gz REIPSZZNLZHTJN-LJQANCHMSA-N 0 0 340.379 3.068 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000882596675 1302030759 /nfs/dbraw/zinc/03/07/59/1302030759.db2.gz SMBTVUHQGNPQBS-JXPOREOESA-N 0 0 330.384 3.216 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883668752 1302543882 /nfs/dbraw/zinc/54/38/82/1302543882.db2.gz JHPMVBSQQTUWMP-WCQYABFASA-N 0 0 346.412 3.311 10 5 EGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000885485443 1303160753 /nfs/dbraw/zinc/16/07/53/1303160753.db2.gz FXISDBADUAHCTH-BZZMCLGOSA-N 0 0 344.411 3.020 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1C[C@H]3CC[C@@H](C1)S3)CC2 ZINC000889852196 1304606426 /nfs/dbraw/zinc/60/64/26/1304606426.db2.gz JAFLGHVUBHYWQI-AGUYFDCRSA-N 0 0 332.425 3.467 10 5 EGBERN CSc1cccc(C(=O)O[C@H]2CCn3c(C)cnc32)c1[N+](=O)[O-] ZINC000893529670 1305952215 /nfs/dbraw/zinc/95/22/15/1305952215.db2.gz RRZUXIKLZSCCBH-NSHDSACASA-N 0 0 333.369 3.123 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1cccc(C)c1C ZINC000893705226 1306040453 /nfs/dbraw/zinc/04/04/53/1306040453.db2.gz QXIVYTVXPDHWFS-CYBMUJFWSA-N 0 0 331.372 3.411 10 5 EGBERN C/C(=C/C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000893909188 1306124207 /nfs/dbraw/zinc/12/42/07/1306124207.db2.gz KVNGXMZAJFKPEB-KVNDZABWSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000893909186 1306124382 /nfs/dbraw/zinc/12/43/82/1306124382.db2.gz KVNGXMZAJFKPEB-BYIUCRAPSA-N 0 0 330.384 3.216 10 5 EGBERN CSc1cccc(C(=O)N[C@@H]2CCC[C@]23CCCO3)c1[N+](=O)[O-] ZINC000893926704 1306132529 /nfs/dbraw/zinc/13/25/29/1306132529.db2.gz XLPAHMRTCVVJLF-CJNGLKHVSA-N 0 0 336.413 3.148 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(F)F ZINC000894038972 1306186304 /nfs/dbraw/zinc/18/63/04/1306186304.db2.gz GLOPUDUNNJDEDF-LURJTMIESA-N 0 0 337.120 3.049 10 5 EGBERN O=C(NCc1cc(C2CC2)no1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894262641 1306308051 /nfs/dbraw/zinc/30/80/51/1306308051.db2.gz TVPVPCDWNXUZIO-UHFFFAOYSA-N 0 0 341.367 3.198 10 5 EGBERN CC(C)(C(=O)NCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000894272973 1306314886 /nfs/dbraw/zinc/31/48/86/1306314886.db2.gz HIWCXPSHCVIFNS-UHFFFAOYSA-N 0 0 329.356 3.054 10 5 EGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894336552 1306347995 /nfs/dbraw/zinc/34/79/95/1306347995.db2.gz IXRHNFLNFKWUGC-DTORHVGOSA-N 0 0 346.330 3.049 10 5 EGBERN CSc1cccc(C(=O)NCC[C@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC000894498998 1308924649 /nfs/dbraw/zinc/92/46/49/1308924649.db2.gz DETHQUVHYGAXHH-NSHDSACASA-N 0 0 338.429 3.252 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000894524375 1308936665 /nfs/dbraw/zinc/93/66/65/1308936665.db2.gz MMRNYARWYPQZQE-AWEZNQCLSA-N 0 0 332.400 3.291 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000894665041 1309012241 /nfs/dbraw/zinc/01/22/41/1309012241.db2.gz ULOKBGBEFGOQSE-KRWDZBQOSA-N 0 0 332.400 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCOC2(CCC2)C1 ZINC000894666213 1309013672 /nfs/dbraw/zinc/01/36/72/1309013672.db2.gz UITYJXYPMPZPHL-QGZVFWFLSA-N 0 0 332.400 3.372 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894706456 1309029890 /nfs/dbraw/zinc/02/98/90/1309029890.db2.gz XFCVXVDNWLWAMR-NUJGCVRESA-N 0 0 346.427 3.191 10 5 EGBERN CCOc1ccc(C(=O)Nc2nn(CC)cc2Cl)cc1[N+](=O)[O-] ZINC000894890788 1309116603 /nfs/dbraw/zinc/11/66/03/1309116603.db2.gz NBQNSOBKPDAJTG-UHFFFAOYSA-N 0 0 338.751 3.116 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](NC1CC1)C(F)(F)F ZINC000897227483 1310231330 /nfs/dbraw/zinc/23/13/30/1310231330.db2.gz DVCLFVUQDFHAAV-CQSZACIVSA-N 0 0 345.321 3.282 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000897338685 1310299081 /nfs/dbraw/zinc/29/90/81/1310299081.db2.gz WIRRYIPBHUSNKV-DNVCBOLYSA-N 0 0 349.390 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)c1C ZINC000898270580 1310655642 /nfs/dbraw/zinc/65/56/42/1310655642.db2.gz WKAIXVAEOXOTRT-SJCJKPOMSA-N 0 0 346.358 3.203 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898404784 1310718166 /nfs/dbraw/zinc/71/81/66/1310718166.db2.gz BFKXVCLQBQMMET-CQSZACIVSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCc3cccnc32)c1C ZINC000898523516 1310777543 /nfs/dbraw/zinc/77/75/43/1310777543.db2.gz ATAWWKOBXOHSPX-AWEZNQCLSA-N 0 0 325.368 3.066 10 5 EGBERN COC1(C(=O)Oc2cc([N+](=O)[O-])ccc2C)CCC(F)(F)CC1 ZINC000857578106 1328552675 /nfs/dbraw/zinc/55/26/75/1328552675.db2.gz ICOBDZTYRBAPRZ-UHFFFAOYSA-N 0 0 329.299 3.403 10 5 EGBERN COc1ccccc1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929364349 1328580147 /nfs/dbraw/zinc/58/01/47/1328580147.db2.gz BVKCBUCNLNMBFC-UHFFFAOYSA-N 0 0 346.358 3.034 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857690001 1328585180 /nfs/dbraw/zinc/58/51/80/1328585180.db2.gz WLDPSQKOIBLWOR-JTQLQIEISA-N 0 0 347.198 3.307 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000857741497 1328593980 /nfs/dbraw/zinc/59/39/80/1328593980.db2.gz FVPYRDXHNLZNEL-ZDUSSCGKSA-N 0 0 345.321 3.260 10 5 EGBERN Cc1cc(Cl)c(C(=O)NC[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000857968141 1328643607 /nfs/dbraw/zinc/64/36/07/1328643607.db2.gz GVDGBFLVAGIGKJ-GFCCVEGCSA-N 0 0 345.786 3.411 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1cccc(Cl)c1[N+](=O)[O-] ZINC000857971486 1328644312 /nfs/dbraw/zinc/64/43/12/1328644312.db2.gz RYDAAPLGZVRTTQ-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN Cc1csc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000899543018 1317081817 /nfs/dbraw/zinc/08/18/17/1317081817.db2.gz XZASSPHDPLKWTA-CYBMUJFWSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000899750309 1317143398 /nfs/dbraw/zinc/14/33/98/1317143398.db2.gz JBVGZNFFHKCSIW-CQSZACIVSA-N 0 0 347.415 3.070 10 5 EGBERN C[C@H](OC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000913302363 1318999768 /nfs/dbraw/zinc/99/97/68/1318999768.db2.gz XUACRJWCVRRLFX-JTQLQIEISA-N 0 0 327.296 3.496 10 5 EGBERN CC[C@H](C)[C@@H](OC)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385200 1319020422 /nfs/dbraw/zinc/02/04/22/1319020422.db2.gz SUHZQVRRHHIJLG-ISVAXAHUSA-N 0 0 332.759 3.065 10 5 EGBERN C[C@@H]1CC[C@H](CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)O1 ZINC000913385212 1319020502 /nfs/dbraw/zinc/02/05/02/1319020502.db2.gz TUXNYJAJOXBAMH-MWLCHTKSSA-N 0 0 344.770 3.351 10 5 EGBERN CC[C@@H]1CCC[C@]1(C)C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000913531221 1319058971 /nfs/dbraw/zinc/05/89/71/1319058971.db2.gz GZWPHDIODDWLPT-ACJLOTCBSA-N 0 0 348.399 3.119 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000913585061 1319063022 /nfs/dbraw/zinc/06/30/22/1319063022.db2.gz UBJGMZFETKZSDB-VIFPVBQESA-N 0 0 334.763 3.039 10 5 EGBERN CCOC1CC2(C[C@H]2NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913813517 1319134180 /nfs/dbraw/zinc/13/41/80/1319134180.db2.gz ZHTIEPYKTYXUMH-YAKODHLKSA-N 0 0 342.754 3.075 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000914214349 1319268501 /nfs/dbraw/zinc/26/85/01/1319268501.db2.gz ZAKBICMDHUNCAF-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(NCC[C@@H]2CCCOC2)cc1Cl ZINC000858653357 1328818791 /nfs/dbraw/zinc/81/87/91/1328818791.db2.gz VGYFNQKGVAXALT-JTQLQIEISA-N 0 0 342.779 3.263 10 5 EGBERN Cc1sc(C(=O)OCc2cn3cccc(C)c3n2)cc1[N+](=O)[O-] ZINC000914638682 1319358479 /nfs/dbraw/zinc/35/84/79/1319358479.db2.gz XXIHURBKEZZGGA-UHFFFAOYSA-N 0 0 331.353 3.278 10 5 EGBERN C[C@@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000915099464 1319423373 /nfs/dbraw/zinc/42/33/73/1319423373.db2.gz VTSDEZGZQJIGJZ-GOSISDBHSA-N 0 0 341.367 3.092 10 5 EGBERN CC[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000915117093 1319425657 /nfs/dbraw/zinc/42/56/57/1319425657.db2.gz CVOBQJFWZUZAIC-HNNXBMFYSA-N 0 0 342.351 3.054 10 5 EGBERN CC[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000858726769 1328842134 /nfs/dbraw/zinc/84/21/34/1328842134.db2.gz RDRDJWLGKXDBSY-QWHCGFSZSA-N 0 0 336.392 3.190 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000858735678 1328846107 /nfs/dbraw/zinc/84/61/07/1328846107.db2.gz IDMJJEJOKIXNTO-JTQLQIEISA-N 0 0 340.763 3.321 10 5 EGBERN CCc1nnc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000930415593 1328851060 /nfs/dbraw/zinc/85/10/60/1328851060.db2.gz VTXIKZOTTZXPNE-UHFFFAOYSA-N 0 0 340.792 3.233 10 5 EGBERN C[C@@H](Cc1ccsc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930431946 1328853742 /nfs/dbraw/zinc/85/37/42/1328853742.db2.gz LUUFVDCHYLYCPH-NSHDSACASA-N 0 0 336.388 3.475 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC(C)(C)O1 ZINC000858791968 1328862704 /nfs/dbraw/zinc/86/27/04/1328862704.db2.gz OTJPAMOTNBOBBG-GFCCVEGCSA-N 0 0 328.368 3.388 10 5 EGBERN COCCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000930478971 1328869381 /nfs/dbraw/zinc/86/93/81/1328869381.db2.gz XQIQKMREXKOBHX-UHFFFAOYSA-N 0 0 338.379 3.084 10 5 EGBERN COc1ccc([C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)cc1F ZINC000858842601 1328873945 /nfs/dbraw/zinc/87/39/45/1328873945.db2.gz VHKFXUZMZVCEDV-GFCCVEGCSA-N 0 0 331.347 3.319 10 5 EGBERN CN(C[C@@H]1CCCOC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859275048 1328959291 /nfs/dbraw/zinc/95/92/91/1328959291.db2.gz YCJAQRQXBXPJIJ-ZDUSSCGKSA-N 0 0 328.368 3.247 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000930768746 1328965184 /nfs/dbraw/zinc/96/51/84/1328965184.db2.gz LCUJDXDURUXUEH-VIFPVBQESA-N 0 0 347.293 3.256 10 5 EGBERN COC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000919065558 1322024876 /nfs/dbraw/zinc/02/48/76/1322024876.db2.gz TYGMHOZNMSUKGW-UHFFFAOYSA-N 0 0 348.286 3.269 10 5 EGBERN C[NH+](C)[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000920959717 1322239400 /nfs/dbraw/zinc/23/94/00/1322239400.db2.gz HQHSJNCTIMKLKN-PMGBHYCQSA-N 0 0 345.355 3.000 10 5 EGBERN C[C@@H]1c2sccc2CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000921501954 1322330091 /nfs/dbraw/zinc/33/00/91/1322330091.db2.gz JYUMUXABYXZDFQ-MRVPVSSYSA-N 0 0 335.360 3.137 10 5 EGBERN C[C@@H](NC(=O)NCc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000921805710 1322400764 /nfs/dbraw/zinc/40/07/64/1322400764.db2.gz FYALHTWGMACVPL-SNVBAGLBSA-N 0 0 346.412 3.100 10 5 EGBERN C[C@@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000921808245 1322401414 /nfs/dbraw/zinc/40/14/14/1322401414.db2.gz ZZJBMCPFGLLQKZ-IUODEOHRSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1cccc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922142224 1322465138 /nfs/dbraw/zinc/46/51/38/1322465138.db2.gz YJXBEMKOSKWLOY-GXSJLCMTSA-N 0 0 333.262 3.170 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922294275 1322494136 /nfs/dbraw/zinc/49/41/36/1322494136.db2.gz KMPMDHIRYBQJHH-TZMCWYRMSA-N 0 0 336.294 3.139 10 5 EGBERN C[C@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000922646406 1322578948 /nfs/dbraw/zinc/57/89/48/1322578948.db2.gz WMLQLZGJXNKJHY-BBRMVZONSA-N 0 0 347.415 3.447 10 5 EGBERN COc1cc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000922777714 1322615450 /nfs/dbraw/zinc/61/54/50/1322615450.db2.gz ZJIQHCFVRZBTCU-LETLQTKMSA-N 0 0 345.273 3.191 10 5 EGBERN C[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000923065062 1322685871 /nfs/dbraw/zinc/68/58/71/1322685871.db2.gz ZQXMQUSYOZRXTR-ZANVPECISA-N 0 0 347.289 3.472 10 5 EGBERN O=C(COC(=O)[C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000923423016 1322749022 /nfs/dbraw/zinc/74/90/22/1322749022.db2.gz YMIISZRTKDEDBI-AWEZNQCLSA-N 0 0 347.367 3.060 10 5 EGBERN CCn1nc(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])cc1C1CC1 ZINC000923508389 1322765261 /nfs/dbraw/zinc/76/52/61/1322765261.db2.gz VAMGIPNXHUCOKM-UHFFFAOYSA-N 0 0 333.319 3.185 10 5 EGBERN Cc1ccnc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000923594637 1322779722 /nfs/dbraw/zinc/77/97/22/1322779722.db2.gz MKWKTXQRECIDSJ-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CCc1nocc1COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923598780 1322779779 /nfs/dbraw/zinc/77/97/79/1322779779.db2.gz OBIWOWNKZLCAKU-UHFFFAOYSA-N 0 0 338.747 3.475 10 5 EGBERN Cc1c(COC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000923721938 1322797213 /nfs/dbraw/zinc/79/72/13/1322797213.db2.gz MRKLZEIGBZFQQF-AAEUAGOBSA-N 0 0 347.289 3.446 10 5 EGBERN Cc1c(Cc2noc([C@@]34CCO[C@H]3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000923951585 1322854093 /nfs/dbraw/zinc/85/40/93/1322854093.db2.gz XVBZUTSDZZBAHV-YJBOKZPZSA-N 0 0 343.383 3.478 10 5 EGBERN Cc1cc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c(C)nn1 ZINC000923963072 1322857405 /nfs/dbraw/zinc/85/74/05/1322857405.db2.gz QSJZVWKZNXIPHX-UHFFFAOYSA-N 0 0 349.774 3.331 10 5 EGBERN Cc1c(NC(=O)[C@@H](C)OC(=O)C2(C)CC=CC2)cccc1[N+](=O)[O-] ZINC000924197359 1322932073 /nfs/dbraw/zinc/93/20/73/1322932073.db2.gz XDEMKIYONNLPLE-GFCCVEGCSA-N 0 0 332.356 3.130 10 5 EGBERN Cc1csc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1 ZINC000924356523 1322995329 /nfs/dbraw/zinc/99/53/29/1322995329.db2.gz RQWSQTYSRXNZGT-LLVKDONJSA-N 0 0 335.385 3.048 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000931153806 1329062732 /nfs/dbraw/zinc/06/27/32/1329062732.db2.gz WUQJHJZYASOLKS-UHFFFAOYSA-N 0 0 348.790 3.078 10 5 EGBERN O=C(COC(=O)[C@H]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000859747519 1329069532 /nfs/dbraw/zinc/06/95/32/1329069532.db2.gz WWOFDPAQOGKTPL-NSHDSACASA-N 0 0 335.331 3.430 10 5 EGBERN CC(C)CC[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859745660 1329069717 /nfs/dbraw/zinc/06/97/17/1329069717.db2.gz QXBDLAYYERIHIS-OAHLLOKOSA-N 0 0 328.796 3.165 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859745659 1329069822 /nfs/dbraw/zinc/06/98/22/1329069822.db2.gz QXBDLAYYERIHIS-HNNXBMFYSA-N 0 0 328.796 3.165 10 5 EGBERN Cc1nc2sccn2c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000859906214 1329109217 /nfs/dbraw/zinc/10/92/17/1329109217.db2.gz FAYBKVIESZTGOM-JTQLQIEISA-N 0 0 344.396 3.412 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC1CC1 ZINC000931495153 1329130465 /nfs/dbraw/zinc/13/04/65/1329130465.db2.gz DCUUCPVRRMUDEL-OAHLLOKOSA-N 0 0 333.388 3.190 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000931624686 1329156371 /nfs/dbraw/zinc/15/63/71/1329156371.db2.gz UUSKBLHHXFQZKZ-GWCFXTLKSA-N 0 0 339.779 3.103 10 5 EGBERN C[C@@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000925252116 1325098996 /nfs/dbraw/zinc/09/89/96/1325098996.db2.gz XTBMGJWYDDMMJB-WBMJQRKESA-N 0 0 340.383 3.428 10 5 EGBERN COc1cc(COC(=O)C[C@H](C)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000860323358 1329304873 /nfs/dbraw/zinc/30/48/73/1329304873.db2.gz KEHIFWUYWOIEFE-ZETCQYMHSA-N 0 0 339.241 3.374 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000860658623 1329341282 /nfs/dbraw/zinc/34/12/82/1329341282.db2.gz MLIRNCVBOIZYSS-QWHCGFSZSA-N 0 0 347.348 3.152 10 5 EGBERN O=C(NCCOCC1CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860846117 1329362284 /nfs/dbraw/zinc/36/22/84/1329362284.db2.gz MJWUITMPOQMPNZ-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN Cc1cccc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000927293266 1327959920 /nfs/dbraw/zinc/95/99/20/1327959920.db2.gz RKEHVINHSGPTAM-ZDUSSCGKSA-N 0 0 346.280 3.410 10 5 EGBERN CNc1c(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000927303335 1327964541 /nfs/dbraw/zinc/96/45/41/1327964541.db2.gz BYXREZPUVVMVJX-IFXJQAMLSA-N 0 0 337.379 3.050 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCCC1(c2ccccc2)CC1 ZINC000927545979 1328053816 /nfs/dbraw/zinc/05/38/16/1328053816.db2.gz XSEYICFAKSAJQJ-UHFFFAOYSA-N 0 0 340.379 3.212 10 5 EGBERN C/C=C/CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000861177472 1329394607 /nfs/dbraw/zinc/39/46/07/1329394607.db2.gz KYYNGUFTFBFTRB-KXMPLOMGSA-N 0 0 335.257 3.213 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)cc1[N+](=O)[O-] ZINC000928074975 1328189118 /nfs/dbraw/zinc/18/91/18/1328189118.db2.gz VLEHFAGCRVMDNQ-IINYFYTJSA-N 0 0 336.344 3.166 10 5 EGBERN Cn1ccc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)n1 ZINC000928199706 1328233596 /nfs/dbraw/zinc/23/35/96/1328233596.db2.gz VMUUFQDXHBUWAG-NSHDSACASA-N 0 0 348.790 3.002 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccnn1C ZINC000928369146 1328291579 /nfs/dbraw/zinc/29/15/79/1328291579.db2.gz ORPWQQKJQYUHTC-MUSGIIIZSA-N 0 0 340.383 3.095 10 5 EGBERN CC[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928687849 1328395490 /nfs/dbraw/zinc/39/54/90/1328395490.db2.gz OFWFRLBSRYMVEJ-LBPRGKRZSA-N 0 0 336.388 3.001 10 5 EGBERN CCO[C@@H]1C[C@@H]1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861443702 1329418529 /nfs/dbraw/zinc/41/85/29/1329418529.db2.gz FRCRZCXNEOTLPM-QJPTWQEYSA-N 0 0 333.262 3.166 10 5 EGBERN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000929133097 1328514734 /nfs/dbraw/zinc/51/47/34/1328514734.db2.gz KBAGSOWPUKBAHB-NEPJUHHUSA-N 0 0 332.278 3.423 10 5 EGBERN COc1cnc(F)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000861586458 1329428479 /nfs/dbraw/zinc/42/84/79/1329428479.db2.gz QYQKJNZEYUVLNE-SNVBAGLBSA-N 0 0 348.334 3.329 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@]2(C1)CCCOC2 ZINC000861597686 1329429645 /nfs/dbraw/zinc/42/96/45/1329429645.db2.gz DNAUTQRIWMZKID-LJQANCHMSA-N 0 0 340.379 3.391 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861749203 1329439173 /nfs/dbraw/zinc/43/91/73/1329439173.db2.gz RMGVOYSJHNQQFL-UHFFFAOYSA-N 0 0 328.368 3.247 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCO[C@H](C2CCC2)C1 ZINC000861987401 1329453520 /nfs/dbraw/zinc/45/35/20/1329453520.db2.gz HCAFJTDARHMCMH-SFHVURJKSA-N 0 0 340.379 3.389 10 5 EGBERN C[C@H](CO)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862175707 1329464314 /nfs/dbraw/zinc/46/43/14/1329464314.db2.gz SSYLQFMUMVNUII-FZKQIMNGSA-N 0 0 342.395 3.371 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862999555 1329521881 /nfs/dbraw/zinc/52/18/81/1329521881.db2.gz MHBASOCPQIMZTH-UZTWBRENSA-N 0 0 328.368 3.290 10 5 EGBERN CC1(C)C[C@@H](SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000863356170 1329549532 /nfs/dbraw/zinc/54/95/32/1329549532.db2.gz VOKCKCIEHSPDHR-SNVBAGLBSA-N 0 0 344.820 3.487 10 5 EGBERN O=[N+]([O-])c1ccc(OCCS(=O)(=O)[C@H]2CCc3ccccc32)cc1 ZINC000864439331 1329614526 /nfs/dbraw/zinc/61/45/26/1329614526.db2.gz QGXNHJFBTGEWPU-KRWDZBQOSA-N 0 0 347.392 3.076 10 5 EGBERN C[C@H](C1CC1)N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864688823 1329638283 /nfs/dbraw/zinc/63/82/83/1329638283.db2.gz HDXCLTDMGTZNBR-SECBINFHSA-N 0 0 341.205 3.157 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865371929 1329689689 /nfs/dbraw/zinc/68/96/89/1329689689.db2.gz VTYZOUZJKWWQCF-HNNXBMFYSA-N 0 0 343.383 3.044 10 5 EGBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCCC1CC1 ZINC000865965818 1329755282 /nfs/dbraw/zinc/75/52/82/1329755282.db2.gz YFJGBFWTLSWQAM-UHFFFAOYSA-N 0 0 341.205 3.206 10 5 EGBERN CCC[C@@H](O)CCCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000866033367 1329760370 /nfs/dbraw/zinc/76/03/70/1329760370.db2.gz MUNGUZXUBUHQJY-GFCCVEGCSA-N 0 0 347.458 3.032 10 5 EGBERN Nc1c(F)c(N2CCC[C@@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051436 1330059653 /nfs/dbraw/zinc/05/96/53/1330059653.db2.gz FCCOIWXQWKHNLR-PBHICJAKSA-N 0 0 331.347 3.019 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C(F)F)CC2)c(C(F)(F)F)c1 ZINC000866064845 1330061623 /nfs/dbraw/zinc/06/16/23/1330061623.db2.gz ZJAUVZGMUGCLED-NSHDSACASA-N 0 0 340.248 3.474 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@H](OC3CCC3)CC2)nc2sccn21 ZINC000866148259 1330070847 /nfs/dbraw/zinc/07/08/47/1330070847.db2.gz VPNKOCHKWRGWRY-LBPRGKRZSA-N 0 0 336.417 3.232 10 5 EGBERN Cc1ccc(CNc2nccc3c2C(=O)OC3(C)C)cc1[N+](=O)[O-] ZINC000866181683 1330074590 /nfs/dbraw/zinc/07/45/90/1330074590.db2.gz LSHGBJOPGIJZGT-UHFFFAOYSA-N 0 0 327.340 3.316 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n3c2CCCC3)nc1 ZINC000866191137 1330075732 /nfs/dbraw/zinc/07/57/32/1330075732.db2.gz VKUVKTQQNNKEHD-UHFFFAOYSA-N 0 0 341.293 3.154 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CSC[C@H]3C2)c(OC(F)F)c1 ZINC000866201236 1330077931 /nfs/dbraw/zinc/07/79/31/1330077931.db2.gz LQGXANVHTJDOPK-VHSXEESVSA-N 0 0 330.356 3.386 10 5 EGBERN C[C@@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000866337582 1330098319 /nfs/dbraw/zinc/09/83/19/1330098319.db2.gz KTJGTMVBPZIIEC-NXEZZACHSA-N 0 0 341.205 3.157 10 5 EGBERN COCc1cccc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868096586 1330248653 /nfs/dbraw/zinc/24/86/53/1330248653.db2.gz QSLGBOMYYFWUCW-UHFFFAOYSA-N 0 0 343.383 3.049 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868461143 1330282412 /nfs/dbraw/zinc/28/24/12/1330282412.db2.gz PUFKUURIJMQKED-GDBMZVCRSA-N 0 0 349.431 3.296 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000868655465 1330307073 /nfs/dbraw/zinc/30/70/73/1330307073.db2.gz POLVZUWJZBSLQI-YLQAJVPDSA-N 0 0 347.415 3.160 10 5 EGBERN Cc1ccc(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000869054553 1330404132 /nfs/dbraw/zinc/40/41/32/1330404132.db2.gz LXGYIYANICZQEN-HIFRSBDPSA-N 0 0 339.342 3.090 10 5 EGBERN COc1ccc2c(c1)N(C(=O)Cc1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000869287252 1330453698 /nfs/dbraw/zinc/45/36/98/1330453698.db2.gz PEOOSQDVFVPZAP-UHFFFAOYSA-N 0 0 344.342 3.264 10 5 EGBERN CC1(C)CO[C@@H](COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000869458456 1330504482 /nfs/dbraw/zinc/50/44/82/1330504482.db2.gz RHZMOFMSKQPGHW-LLVKDONJSA-N 0 0 330.340 3.115 10 5 EGBERN Cc1ccc(C)c(C(=O)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000869574879 1330526317 /nfs/dbraw/zinc/52/63/17/1330526317.db2.gz WYEISKJOULPODI-CQSZACIVSA-N 0 0 340.379 3.314 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@]23C[C@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000869705698 1330549207 /nfs/dbraw/zinc/54/92/07/1330549207.db2.gz GTABJBKIWWSUQO-VEVIJQCQSA-N 0 0 346.383 3.354 10 5 EGBERN C[C@H](OC(=O)[C@@]12C[C@@H]1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000869709332 1330549636 /nfs/dbraw/zinc/54/96/36/1330549636.db2.gz XNZDGRMXHSQVQX-PRXAMGSTSA-N 0 0 332.356 3.045 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@]12CCC[C@H]1OCC2 ZINC000869717065 1330552256 /nfs/dbraw/zinc/55/22/56/1330552256.db2.gz QMSYCCFRTMNEQK-HIFRSBDPSA-N 0 0 325.748 3.251 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001323591588 1387398073 /nfs/dbraw/zinc/39/80/73/1387398073.db2.gz BYDDLGZURNKJMG-LLVKDONJSA-N 0 0 325.777 3.283 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC001323865762 1387482512 /nfs/dbraw/zinc/48/25/12/1387482512.db2.gz MAPQKSGYUSRJHF-WYPFBEBGSA-N 0 0 345.226 3.494 10 5 EGBERN COC(=O)Cc1ccc(Oc2cc(C)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001184624720 1387501325 /nfs/dbraw/zinc/50/13/25/1387501325.db2.gz GPLFFWJKYPNRJL-UHFFFAOYSA-N 0 0 346.295 3.319 10 5 EGBERN C[C@H](c1ccccc1)[C@H](CO)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001185281207 1387667810 /nfs/dbraw/zinc/66/78/10/1387667810.db2.gz DXZMPZXQUDJEPW-BZNIZROVSA-N 0 0 326.356 3.048 10 5 EGBERN O=c1[nH]ccc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001185395104 1387703993 /nfs/dbraw/zinc/70/39/93/1387703993.db2.gz ZSNOIZGYJRNFJM-LLVKDONJSA-N 0 0 344.154 3.148 10 5 EGBERN Cc1nc(N2CC=C(c3ccc(Cl)nc3)CC2)ncc1[N+](=O)[O-] ZINC001324716275 1387749757 /nfs/dbraw/zinc/74/97/57/1387749757.db2.gz KLCQTHJFLMQFCB-UHFFFAOYSA-N 0 0 331.763 3.035 10 5 EGBERN Cc1nc(NC[C@@H](O)c2cc3ccccc3s2)ncc1[N+](=O)[O-] ZINC001185726593 1387785222 /nfs/dbraw/zinc/78/52/22/1387785222.db2.gz NSJRVYIZLQEJSZ-GFCCVEGCSA-N 0 0 330.369 3.053 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001190045046 1367159744 /nfs/dbraw/zinc/15/97/44/1367159744.db2.gz GMYQPZHXDHNGFG-SKDRFNHKSA-N 0 0 344.770 3.461 10 5 EGBERN Cc1cc(C)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)n1 ZINC001190331996 1367229875 /nfs/dbraw/zinc/22/98/75/1367229875.db2.gz NCIBQKPELLUCHV-UHFFFAOYSA-N 0 0 340.427 3.237 10 5 EGBERN CCc1oc(C(=O)OC)cc1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001193132141 1367950735 /nfs/dbraw/zinc/95/07/35/1367950735.db2.gz YBTGDHLZTYOKPU-UHFFFAOYSA-N 0 0 330.340 3.100 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](CO)CC1CCCC1 ZINC001186285001 1387915309 /nfs/dbraw/zinc/91/53/09/1387915309.db2.gz LKQMUIAVRKGJLV-CYBMUJFWSA-N 0 0 347.390 3.305 10 5 EGBERN CO[C@H]1COCC[C@@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186540125 1387966445 /nfs/dbraw/zinc/96/64/45/1387966445.db2.gz HYJZAJKKTIFUAE-YGRLFVJLSA-N 0 0 348.321 3.385 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC001186565422 1387970842 /nfs/dbraw/zinc/97/08/42/1387970842.db2.gz QIBUAMNSKVKZCG-QGZVFWFLSA-N 0 0 335.404 3.490 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@]2(O)CCC[C@H]2C)cc1C ZINC001186571390 1387971574 /nfs/dbraw/zinc/97/15/74/1387971574.db2.gz JEBCDDZLUNGLOU-SJKOYZFVSA-N 0 0 336.388 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(F)(F)CC[C@@H]1C ZINC001198641042 1369079860 /nfs/dbraw/zinc/07/98/60/1369079860.db2.gz LMQVGXWCXWBZCO-LBPRGKRZSA-N 0 0 341.358 3.351 10 5 EGBERN Cc1csc(NCCNc2ccc([N+](=O)[O-])c3cnccc23)n1 ZINC001186661811 1387995195 /nfs/dbraw/zinc/99/51/95/1387995195.db2.gz MBGHRXLZBXHGMK-UHFFFAOYSA-N 0 0 329.385 3.432 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@H](OC)C12CCC2 ZINC001186661658 1387995572 /nfs/dbraw/zinc/99/55/72/1387995572.db2.gz GZIXBGKUWLJFOL-GJZGRUSLSA-N 0 0 334.372 3.059 10 5 EGBERN CN(Cc1ccns1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186990358 1388036795 /nfs/dbraw/zinc/03/67/95/1388036795.db2.gz ZEXXWFIDXVESOD-UHFFFAOYSA-N 0 0 345.340 3.144 10 5 EGBERN COC(=O)[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC001187224143 1388076156 /nfs/dbraw/zinc/07/61/56/1388076156.db2.gz DCJHVRFEZFUIPD-CYBMUJFWSA-N 0 0 348.305 3.150 10 5 EGBERN Cc1cc(NC[C@H]2c3ccccc3C(=O)N2C)c(F)cc1[N+](=O)[O-] ZINC001187305339 1388092035 /nfs/dbraw/zinc/09/20/35/1388092035.db2.gz AWJGNSXGJAPARW-INIZCTEOSA-N 0 0 329.331 3.281 10 5 EGBERN Cn1cc(C(=O)OCc2csc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001116559940 1370936729 /nfs/dbraw/zinc/93/67/29/1370936729.db2.gz VGCXZOYZUFTTNW-UHFFFAOYSA-N 0 0 334.275 3.371 10 5 EGBERN O=c1c2ccccc2n(Cc2nnc([C@H]3CCCO3)o2)c2ccccc12 ZINC001118081321 1371129342 /nfs/dbraw/zinc/12/93/42/1371129342.db2.gz MPGKDMFSNPZZEB-QGZVFWFLSA-N 0 0 347.374 3.438 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118787701 1371228233 /nfs/dbraw/zinc/22/82/33/1371228233.db2.gz GDDBCYWRUYAABG-GRYCIOLGSA-N 0 0 339.342 3.190 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(C=O)c(F)c2F)c1 ZINC001187585931 1388128106 /nfs/dbraw/zinc/12/81/06/1388128106.db2.gz GPYOVWCWSOXFQF-UHFFFAOYSA-N 0 0 337.234 3.264 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001187871689 1388180935 /nfs/dbraw/zinc/18/09/35/1388180935.db2.gz OPAJQSYLADCVMS-FWPCIQOSSA-N 0 0 341.367 3.219 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001123318723 1372423841 /nfs/dbraw/zinc/42/38/41/1372423841.db2.gz SEDCWTOTUOXLLZ-HOTGVXAUSA-N 0 0 333.388 3.469 10 5 EGBERN CC(C)[C@@H]1COCC[C@H]1OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001123347270 1372436320 /nfs/dbraw/zinc/43/63/20/1372436320.db2.gz ZLHURVFHVZEEBI-SWLSCSKDSA-N 0 0 332.356 3.294 10 5 EGBERN Cc1c(C(=O)N2CCC[C@]2(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001124102776 1372673428 /nfs/dbraw/zinc/67/34/28/1372673428.db2.gz NEKFBMMESZGWQQ-IBGZPJMESA-N 0 0 340.379 3.027 10 5 EGBERN COc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1 ZINC001124224603 1372684991 /nfs/dbraw/zinc/68/49/91/1372684991.db2.gz ZCXFJJCQYABRGH-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN COc1cccc([C@@H](OC)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001124331843 1372692498 /nfs/dbraw/zinc/69/24/98/1372692498.db2.gz LXXMVHVFCUTDMT-OAHLLOKOSA-N 0 0 334.303 3.069 10 5 EGBERN CN(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001124341069 1372693139 /nfs/dbraw/zinc/69/31/39/1372693139.db2.gz ZSCPAUHFFYWNJH-OAHLLOKOSA-N 0 0 333.775 3.490 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1C ZINC001124443282 1372702189 /nfs/dbraw/zinc/70/21/89/1372702189.db2.gz YUGWUFBWWMWCEG-UHFFFAOYSA-N 0 0 342.351 3.213 10 5 EGBERN Cc1cc(C)c(OC(=O)Cc2cn3cc(F)ccc3n2)c([N+](=O)[O-])c1 ZINC001124450902 1372702495 /nfs/dbraw/zinc/70/24/95/1372702495.db2.gz NFXWIQOPNPESEY-UHFFFAOYSA-N 0 0 343.314 3.147 10 5 EGBERN Cc1cccc(OCCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001124531929 1372709264 /nfs/dbraw/zinc/70/92/64/1372709264.db2.gz PVGWAFQDEYXUNJ-UHFFFAOYSA-N 0 0 332.331 3.160 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1F ZINC001124561267 1372712410 /nfs/dbraw/zinc/71/24/10/1372712410.db2.gz TTYJWWIQNQJDDV-TZMCWYRMSA-N 0 0 328.299 3.122 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC001125169303 1372757531 /nfs/dbraw/zinc/75/75/31/1372757531.db2.gz YBMMDBCYZGDDKW-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC001125451699 1372789413 /nfs/dbraw/zinc/78/94/13/1372789413.db2.gz XZZCIFSERFXBMO-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)CCO2 ZINC001125520504 1372800310 /nfs/dbraw/zinc/80/03/10/1372800310.db2.gz CTBBYVSITNPQON-UHFFFAOYSA-N 0 0 330.315 3.240 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ccccc21 ZINC001125818643 1372864251 /nfs/dbraw/zinc/86/42/51/1372864251.db2.gz VFDJAAXBQBBKDK-UHFFFAOYSA-N 0 0 343.408 3.413 10 5 EGBERN CC1(C)CO[C@H](CCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001125910931 1372889234 /nfs/dbraw/zinc/88/92/34/1372889234.db2.gz DDYPOSYTLVNSJQ-OAHLLOKOSA-N 0 0 332.400 3.469 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC001126072326 1372926512 /nfs/dbraw/zinc/92/65/12/1372926512.db2.gz CHWSMIPXDXXGRD-QHCPKHFHSA-N 0 0 332.381 3.201 10 5 EGBERN O=c1ccc([N+](=O)[O-])cn1Cc1cccc(Br)c1Cl ZINC001188062153 1388232676 /nfs/dbraw/zinc/23/26/76/1388232676.db2.gz JYKBYQAWGHZCBV-UHFFFAOYSA-N 0 0 343.564 3.221 10 5 EGBERN C[C@H]1CCC[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001126199641 1372948039 /nfs/dbraw/zinc/94/80/39/1372948039.db2.gz MQDMXIROTAYKEW-STQMWFEESA-N 0 0 348.399 3.407 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1(C)C ZINC001126453533 1372967045 /nfs/dbraw/zinc/96/70/45/1372967045.db2.gz WWYZIYHBOMGKHC-HZPDHXFCSA-N 0 0 334.416 3.487 10 5 EGBERN COc1cccc(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC001126611733 1372982862 /nfs/dbraw/zinc/98/28/62/1372982862.db2.gz MUMQODMCYXXPHV-UHFFFAOYSA-N 0 0 346.770 3.342 10 5 EGBERN O=C(c1ccc2cnccc2n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001126983454 1373062873 /nfs/dbraw/zinc/06/28/73/1373062873.db2.gz VFVKHAVSKVEKQA-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001127195571 1373102521 /nfs/dbraw/zinc/10/25/21/1373102521.db2.gz YVNVNXMILPELSO-MRXNPFEDSA-N 0 0 348.447 3.451 10 5 EGBERN CCOc1ccccc1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001127268327 1373110450 /nfs/dbraw/zinc/11/04/50/1373110450.db2.gz XZNFXTUOTKHSQT-UHFFFAOYSA-N 0 0 332.331 3.338 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC001127278810 1373111749 /nfs/dbraw/zinc/11/17/49/1373111749.db2.gz RUEZSFRCXNNARW-SECBINFHSA-N 0 0 338.285 3.432 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)(c3ccccc3)CC2)n1 ZINC001127282182 1373112035 /nfs/dbraw/zinc/11/20/35/1373112035.db2.gz XCPVGRFXKUJTCZ-UHFFFAOYSA-N 0 0 339.395 3.492 10 5 EGBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001127358338 1373118726 /nfs/dbraw/zinc/11/87/26/1373118726.db2.gz BFNORHRQBQHCTQ-JTQLQIEISA-N 0 0 344.298 3.155 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H]2c3ccccc3OC[C@@H]2C)n1 ZINC001127401611 1373123969 /nfs/dbraw/zinc/12/39/69/1373123969.db2.gz GDVPATYBGQJRLW-QFYYESIMSA-N 0 0 328.324 3.225 10 5 EGBERN Cc1cc(COC(=O)c2ncc3c(F)cccn32)ccc1[N+](=O)[O-] ZINC001127413276 1373124923 /nfs/dbraw/zinc/12/49/23/1373124923.db2.gz RNZMLRXXEGGGFY-UHFFFAOYSA-N 0 0 329.287 3.047 10 5 EGBERN CCc1cc(NC(=O)COC(C)(C)CC)c2cc([N+](=O)[O-])ccc2n1 ZINC001127577938 1373141816 /nfs/dbraw/zinc/14/18/16/1373141816.db2.gz RJKWJPYLLSQBMC-UHFFFAOYSA-N 0 0 345.399 3.271 10 5 EGBERN CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001127678745 1373159444 /nfs/dbraw/zinc/15/94/44/1373159444.db2.gz CMULVDPAXZFYJK-AWEZNQCLSA-N 0 0 329.312 3.384 10 5 EGBERN CC[C@H](OC(=O)[C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001127710518 1373165912 /nfs/dbraw/zinc/16/59/12/1373165912.db2.gz MLJKDMOOGXSZKC-LRDDRELGSA-N 0 0 331.372 3.201 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001127913704 1373199204 /nfs/dbraw/zinc/19/92/04/1373199204.db2.gz FTCFDBMKKCCJPH-CABCVRRESA-N 0 0 341.319 3.091 10 5 EGBERN COC(=O)c1ccc(OC(=O)[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC001127915878 1373199492 /nfs/dbraw/zinc/19/94/92/1373199492.db2.gz XPJZCRQXIPYJDO-LBPRGKRZSA-N 0 0 343.335 3.399 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCC2CC(OC(C)(C)C)C2)n1 ZINC001127978573 1373205680 /nfs/dbraw/zinc/20/56/80/1373205680.db2.gz QARPBCXYPDDISA-UHFFFAOYSA-N 0 0 335.404 3.012 10 5 EGBERN COc1ccc(OC(=O)[C@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC001127987808 1373206768 /nfs/dbraw/zinc/20/67/68/1373206768.db2.gz WCSGNWYCAHIIEV-GOSISDBHSA-N 0 0 343.335 3.249 10 5 EGBERN COc1ccc(OC(=O)[C@@H](C)OCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001128089598 1373217071 /nfs/dbraw/zinc/21/70/71/1373217071.db2.gz LQVCUUZUDUFJMA-LLVKDONJSA-N 0 0 349.314 3.253 10 5 EGBERN CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H]1C ZINC001128281774 1373245899 /nfs/dbraw/zinc/24/58/99/1373245899.db2.gz AFSVOPJVZFDQAH-STQMWFEESA-N 0 0 328.372 3.041 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC001128416281 1373264612 /nfs/dbraw/zinc/26/46/12/1373264612.db2.gz FIXMCKIHRAKDIM-VXGBXAGGSA-N 0 0 338.379 3.366 10 5 EGBERN CC1(C)C(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1(C)C ZINC001128485220 1373276479 /nfs/dbraw/zinc/27/64/79/1373276479.db2.gz UOEAPGUQSKWDBT-UHFFFAOYSA-N 0 0 342.399 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nncs3)cc2)n1 ZINC001128507525 1373279206 /nfs/dbraw/zinc/27/92/06/1373279206.db2.gz DXWHMVWDSYSAEO-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ncc2c(F)cccn21 ZINC001128847000 1373315684 /nfs/dbraw/zinc/31/56/84/1373315684.db2.gz IJZKOYHQQMLEAJ-UHFFFAOYSA-N 0 0 334.694 3.287 10 5 EGBERN COc1cnc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC001128848302 1373316029 /nfs/dbraw/zinc/31/60/29/1373316029.db2.gz ZLDGRWCCARLBLQ-UHFFFAOYSA-N 0 0 325.371 3.034 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCc1ccncc1F ZINC001128984702 1373330938 /nfs/dbraw/zinc/33/09/38/1373330938.db2.gz FEJJWKKFBIAMKG-UHFFFAOYSA-N 0 0 338.722 3.458 10 5 EGBERN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128984507 1373330950 /nfs/dbraw/zinc/33/09/50/1373330950.db2.gz JFVBUFKTVQLMQT-QMMMGPOBSA-N 0 0 340.792 3.101 10 5 EGBERN C/C(=C/c1ccccn1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129107931 1373346787 /nfs/dbraw/zinc/34/67/87/1373346787.db2.gz KXAGSXXAYOJDHO-KHPPLWFESA-N 0 0 327.315 3.122 10 5 EGBERN O=C(Oc1cccc(-n2ccccc2=O)c1)c1csc([N+](=O)[O-])c1 ZINC001129173817 1373356595 /nfs/dbraw/zinc/35/65/95/1373356595.db2.gz RMOYEVDNVZHZQR-UHFFFAOYSA-N 0 0 342.332 3.026 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC001129177645 1373357948 /nfs/dbraw/zinc/35/79/48/1373357948.db2.gz FGQQDBSOKGOENB-GFCCVEGCSA-N 0 0 335.360 3.368 10 5 EGBERN C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001129500137 1373390964 /nfs/dbraw/zinc/39/09/64/1373390964.db2.gz YSIJSEOMXSJVTR-SCLBCKFNSA-N 0 0 342.399 3.479 10 5 EGBERN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001129500135 1373391194 /nfs/dbraw/zinc/39/11/94/1373391194.db2.gz YSIJSEOMXSJVTR-FZKQIMNGSA-N 0 0 342.399 3.479 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001129541873 1373396094 /nfs/dbraw/zinc/39/60/94/1373396094.db2.gz HWAJVMBGRHIYPA-GXFFZTMASA-N 0 0 341.205 3.440 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001129775078 1373422357 /nfs/dbraw/zinc/42/23/57/1373422357.db2.gz OWYAZEILIYUSOX-UHFFFAOYSA-N 0 0 326.230 3.198 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCOc2c(F)c(F)ccc21 ZINC001129795268 1373424175 /nfs/dbraw/zinc/42/41/75/1373424175.db2.gz VHHHBGHSMKTCRL-BAQGIRSFSA-N 0 0 346.289 3.312 10 5 EGBERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001129973128 1373441844 /nfs/dbraw/zinc/44/18/44/1373441844.db2.gz BKYICAOZPGCXMA-CQSZACIVSA-N 0 0 341.411 3.330 10 5 EGBERN CCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(F)c1 ZINC001130032126 1373446915 /nfs/dbraw/zinc/44/69/15/1373446915.db2.gz IYVHHVHITCMPKL-UHFFFAOYSA-N 0 0 334.303 3.394 10 5 EGBERN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC001130052351 1373449139 /nfs/dbraw/zinc/44/91/39/1373449139.db2.gz HOMDUBLACQHIBR-IUODEOHRSA-N 0 0 348.399 3.320 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccnc1F ZINC001130375005 1373509662 /nfs/dbraw/zinc/50/96/62/1373509662.db2.gz JDMMQTIPKJZQFN-UHFFFAOYSA-N 0 0 327.674 3.103 10 5 EGBERN COCc1ccnc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC001130607208 1373569590 /nfs/dbraw/zinc/56/95/90/1373569590.db2.gz UUIHGPPVRDNSPH-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN Cc1cc(F)c(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001130850322 1373598501 /nfs/dbraw/zinc/59/85/01/1373598501.db2.gz SMWZTDSSBZKKGQ-UHFFFAOYSA-N 0 0 338.222 3.309 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCC(F)(F)c1cccc(F)c1 ZINC001130885056 1373603204 /nfs/dbraw/zinc/60/32/04/1373603204.db2.gz HWDTYRSUOYPGAV-UHFFFAOYSA-N 0 0 338.285 3.185 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC001130956792 1373615569 /nfs/dbraw/zinc/61/55/69/1373615569.db2.gz HCUKRFICQOMNDW-ZYHUDNBSSA-N 0 0 327.340 3.087 10 5 EGBERN CCOc1cc(NC(=O)c2ccc3nsnc3c2)ccc1[N+](=O)[O-] ZINC001131000622 1373622906 /nfs/dbraw/zinc/62/29/06/1373622906.db2.gz XULOGNZIEFDYFT-UHFFFAOYSA-N 0 0 344.352 3.251 10 5 EGBERN C[C@@H]1[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001131051194 1373633033 /nfs/dbraw/zinc/63/30/33/1373633033.db2.gz CVRTZKBIPLPJDP-CIISACIHSA-N 0 0 342.307 3.458 10 5 EGBERN CCc1ccc(C)nc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001131087661 1373640239 /nfs/dbraw/zinc/64/02/39/1373640239.db2.gz LXVNHQKBBWOCBV-UHFFFAOYSA-N 0 0 330.300 3.021 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc2nccnc2c1 ZINC001131459215 1373702758 /nfs/dbraw/zinc/70/27/58/1373702758.db2.gz COYQATZSEZNIMD-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1nsc2ccccc12 ZINC001131469349 1373704853 /nfs/dbraw/zinc/70/48/53/1373704853.db2.gz HVMVMTKWGBTAEV-UHFFFAOYSA-N 0 0 341.392 3.106 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001131841729 1373833095 /nfs/dbraw/zinc/83/30/95/1373833095.db2.gz XLLWFSHTLWBBTI-IRXDYDNUSA-N 0 0 347.415 3.104 10 5 EGBERN CC(=O)c1ccc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001188324584 1388290430 /nfs/dbraw/zinc/29/04/30/1388290430.db2.gz JZDJFGPXAJCTET-UHFFFAOYSA-N 0 0 333.365 3.080 10 5 EGBERN COC(=O)c1cccc(COc2cc(C=O)ccc2[N+](=O)[O-])c1Cl ZINC001188692160 1388362540 /nfs/dbraw/zinc/36/25/40/1388362540.db2.gz LFEJMTBWJHUQMM-UHFFFAOYSA-N 0 0 349.726 3.426 10 5 EGBERN O=[N+]([O-])c1ncccc1CSc1nnc(Cc2cccs2)o1 ZINC001188735101 1388370248 /nfs/dbraw/zinc/37/02/48/1388370248.db2.gz AFEGHVLJTUPIEY-UHFFFAOYSA-N 0 0 334.382 3.317 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1noc2ccc(F)cc21 ZINC001132661540 1375502704 /nfs/dbraw/zinc/50/27/04/1375502704.db2.gz ACLPUJMUFQCECC-UHFFFAOYSA-N 0 0 343.314 3.124 10 5 EGBERN COC(=O)c1cc(C)c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001132967981 1375682892 /nfs/dbraw/zinc/68/28/92/1375682892.db2.gz YCURRPQZLBQZMF-JTQLQIEISA-N 0 0 333.296 3.201 10 5 EGBERN O=C(NCc1ncc(Cl)s1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001133375481 1375954850 /nfs/dbraw/zinc/95/48/50/1375954850.db2.gz UCNHSUFYCHFIIC-UHFFFAOYSA-N 0 0 347.730 3.113 10 5 EGBERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001133420520 1375998264 /nfs/dbraw/zinc/99/82/64/1375998264.db2.gz CWPCYCXXTWWBMH-LLVKDONJSA-N 0 0 327.340 3.044 10 5 EGBERN Cc1cc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)ccc1[N+](=O)[O-] ZINC001133476378 1376030533 /nfs/dbraw/zinc/03/05/33/1376030533.db2.gz WKMLQAZGXXAVRF-BBRMVZONSA-N 0 0 330.315 3.105 10 5 EGBERN Cc1ccc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)sc2n1 ZINC001133810810 1376214216 /nfs/dbraw/zinc/21/42/16/1376214216.db2.gz NFPVYDACMOUQKQ-UHFFFAOYSA-N 0 0 342.380 3.398 10 5 EGBERN Cc1ccc(C(=O)N=[S@]2(=O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC001134009277 1376310048 /nfs/dbraw/zinc/31/00/48/1376310048.db2.gz GOKYPSYWHCJIQR-QHCPKHFHSA-N 0 0 330.365 3.127 10 5 EGBERN COc1cc(C(=O)NCc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1F ZINC001134011766 1376311351 /nfs/dbraw/zinc/31/13/51/1376311351.db2.gz ZBPNOASUWDBXLU-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CCOc3ccccc32)c1F ZINC001134043863 1376328545 /nfs/dbraw/zinc/32/85/45/1376328545.db2.gz OCGDDFAKLFTXBF-SFHVURJKSA-N 0 0 344.342 3.470 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001134364331 1376494632 /nfs/dbraw/zinc/49/46/32/1376494632.db2.gz WSBZWEAYKJMDGC-LBPRGKRZSA-N 0 0 342.351 3.244 10 5 EGBERN CC(C)[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)sc2C1 ZINC001134832433 1376747735 /nfs/dbraw/zinc/74/77/35/1376747735.db2.gz AIVBBTMAPUHJGG-JTQLQIEISA-N 0 0 348.428 3.403 10 5 EGBERN Cn1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001134890903 1376770526 /nfs/dbraw/zinc/77/05/26/1376770526.db2.gz HSTMERUQPKZBFY-LSDHHAIUSA-N 0 0 336.351 3.224 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC001134963073 1376813259 /nfs/dbraw/zinc/81/32/59/1376813259.db2.gz UNIHRVYYKKBXAJ-ZDUSSCGKSA-N 0 0 347.415 3.317 10 5 EGBERN O=C(NC[C@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001134976576 1376822518 /nfs/dbraw/zinc/82/25/18/1376822518.db2.gz VXKUAJGUECPUTC-QGZVFWFLSA-N 0 0 349.346 3.144 10 5 EGBERN O=C(Nc1nn(CC(F)F)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001135094293 1376891646 /nfs/dbraw/zinc/89/16/46/1376891646.db2.gz DVBPBERBIHKCHV-UHFFFAOYSA-N 0 0 346.293 3.462 10 5 EGBERN Cc1cc(NC(=O)c2nscc2Br)cc([N+](=O)[O-])c1 ZINC001135146371 1376932941 /nfs/dbraw/zinc/93/29/41/1376932941.db2.gz NTOFUTUKEVZJEU-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1cc(NC(=O)c2cc(F)cc3nccnc32)cc([N+](=O)[O-])c1 ZINC001135145278 1376933699 /nfs/dbraw/zinc/93/36/99/1376933699.db2.gz NGEIGKQOCAGILC-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001135225392 1376986717 /nfs/dbraw/zinc/98/67/17/1376986717.db2.gz AXYWHURNBRGJKM-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001264170036 1377140731 /nfs/dbraw/zinc/14/07/31/1377140731.db2.gz GKANHEFBWGZVAM-UHFFFAOYSA-N 0 0 341.367 3.214 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001135746748 1377200273 /nfs/dbraw/zinc/20/02/73/1377200273.db2.gz YWFYRSBXXRQYAV-UHFFFAOYSA-N 0 0 326.312 3.046 10 5 EGBERN Cc1ccc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001136103054 1377344256 /nfs/dbraw/zinc/34/42/56/1377344256.db2.gz QDXHHIIFSJBPGK-UHFFFAOYSA-N 0 0 341.298 3.345 10 5 EGBERN Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1-n1ccnc1 ZINC001136624640 1377410603 /nfs/dbraw/zinc/41/06/03/1377410603.db2.gz CULOPBDLWGHOQI-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCCCCc2ccccc21 ZINC001136910476 1377439289 /nfs/dbraw/zinc/43/92/89/1377439289.db2.gz TXGFECGFULXCHG-UHFFFAOYSA-N 0 0 334.763 3.345 10 5 EGBERN C[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[C@@H]1c1ccccc1 ZINC001137002801 1377455314 /nfs/dbraw/zinc/45/53/14/1377455314.db2.gz UXFRVWIIYUJGON-JQWIXIFHSA-N 0 0 348.790 3.237 10 5 EGBERN CN1CCOc2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc21 ZINC001138727727 1377774403 /nfs/dbraw/zinc/77/44/03/1377774403.db2.gz KAFBFCKZDFCNTC-UHFFFAOYSA-N 0 0 347.758 3.329 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1Cc2cccnc2C1 ZINC001138789779 1377785564 /nfs/dbraw/zinc/78/55/64/1377785564.db2.gz AGVVNNVWDZMWCJ-UHFFFAOYSA-N 0 0 337.257 3.165 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001139892905 1377973149 /nfs/dbraw/zinc/97/31/49/1377973149.db2.gz WTCPFKUXFGBNLN-ZFWWWQNUSA-N 0 0 332.306 3.088 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001140915752 1378179861 /nfs/dbraw/zinc/17/98/61/1378179861.db2.gz MRYGUQONDGQVLC-MRXNPFEDSA-N 0 0 348.305 3.087 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001141322026 1378301303 /nfs/dbraw/zinc/30/13/03/1378301303.db2.gz YZCPROOYRFXTOS-INIZCTEOSA-N 0 0 348.374 3.074 10 5 EGBERN CN(Cc1ccsc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141417452 1378321234 /nfs/dbraw/zinc/32/12/34/1378321234.db2.gz XZNITLSVAXZNGJ-UHFFFAOYSA-N 0 0 342.380 3.319 10 5 EGBERN O=C(NCCc1ccc2ccccc2c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141544297 1378342500 /nfs/dbraw/zinc/34/25/00/1378342500.db2.gz LSJMSYCQTKOPAQ-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN C[C@H](C(=O)NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001141575545 1378345876 /nfs/dbraw/zinc/34/58/76/1378345876.db2.gz HPQHFDSVXXWASF-PYEVWLCESA-N 0 0 329.331 3.062 10 5 EGBERN CON(Cc1ccccc1Cl)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001141635002 1378355264 /nfs/dbraw/zinc/35/52/64/1378355264.db2.gz ADCYFQXMICBAET-UHFFFAOYSA-N 0 0 349.774 3.250 10 5 EGBERN CC(=O)c1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1O ZINC001141651579 1378358778 /nfs/dbraw/zinc/35/87/78/1378358778.db2.gz MNLSXMHPIYEHJM-UHFFFAOYSA-N 0 0 328.324 3.372 10 5 EGBERN C[C@H](NC(=O)c1c(Cl)n[nH]c1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001141891571 1378390469 /nfs/dbraw/zinc/39/04/69/1378390469.db2.gz ZCCOZYUKEAQGEJ-QMMMGPOBSA-N 0 0 334.763 3.340 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]1C1CCCCC1 ZINC001141899501 1378391780 /nfs/dbraw/zinc/39/17/80/1378391780.db2.gz XIIBHGNTLKECLH-JTQLQIEISA-N 0 0 326.784 3.156 10 5 EGBERN Cc1ccc(F)c2[nH]c(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC001141982653 1378401038 /nfs/dbraw/zinc/40/10/38/1378401038.db2.gz CVGNRSQYLKLTOD-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001142062751 1378410066 /nfs/dbraw/zinc/41/00/66/1378410066.db2.gz TVGFFNNLGGEZMJ-SNVBAGLBSA-N 0 0 346.314 3.263 10 5 EGBERN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001142588771 1378461918 /nfs/dbraw/zinc/46/19/18/1378461918.db2.gz FSPTUTQFHXNVKD-UHFFFAOYSA-N 0 0 326.287 3.376 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(F)c1F ZINC001143377188 1378589684 /nfs/dbraw/zinc/58/96/84/1378589684.db2.gz RUQVCZMXMXSWAN-UHFFFAOYSA-N 0 0 328.221 3.081 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327579053 1388562447 /nfs/dbraw/zinc/56/24/47/1388562447.db2.gz ZRORKTWCZUUZLY-IEBDPFPHSA-N 0 0 329.274 3.459 10 5 EGBERN CC[C@H]1COC(C)(C)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001145093575 1378791925 /nfs/dbraw/zinc/79/19/25/1378791925.db2.gz CPPLWMTTXWGNQT-LBPRGKRZSA-N 0 0 340.807 3.207 10 5 EGBERN O=C(NOc1ccc(F)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001146553359 1378866754 /nfs/dbraw/zinc/86/67/54/1378866754.db2.gz ZQBDOLKKJWHBBQ-UHFFFAOYSA-N 0 0 344.220 3.477 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(CC(F)(F)F)o2)ccc1OC(F)F ZINC001327807181 1388598414 /nfs/dbraw/zinc/59/84/14/1388598414.db2.gz SRFNRZSXCKPOBK-UHFFFAOYSA-N 0 0 339.176 3.351 10 5 EGBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC(F)(F)C1 ZINC001152836936 1379985493 /nfs/dbraw/zinc/98/54/93/1379985493.db2.gz XCSXFXWXDQZHQW-UHFFFAOYSA-N 0 0 333.294 3.138 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H]1c1ccccc1 ZINC001154728069 1380341246 /nfs/dbraw/zinc/34/12/46/1380341246.db2.gz QETAUURJYMPBQS-YVEFUNNKSA-N 0 0 325.368 3.400 10 5 EGBERN C[C@@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1 ZINC001154728858 1380341334 /nfs/dbraw/zinc/34/13/34/1380341334.db2.gz XHYBYAUFNQGQLQ-NOZJJQNGSA-N 0 0 334.763 3.195 10 5 EGBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC12CC2 ZINC001154844897 1380363890 /nfs/dbraw/zinc/36/38/90/1380363890.db2.gz DNFQNLXCGCZVJJ-CYBMUJFWSA-N 0 0 342.399 3.100 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC001287259143 1381157991 /nfs/dbraw/zinc/15/79/91/1381157991.db2.gz JTNHNESUDKRPLL-UHFFFAOYSA-N 0 0 342.380 3.265 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231521 1381168597 /nfs/dbraw/zinc/16/85/97/1381168597.db2.gz HXWQMTHUVLAFHK-SJCJKPOMSA-N 0 0 329.331 3.309 10 5 EGBERN Cc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)c(N)c1[N+](=O)[O-] ZINC001158232479 1381168632 /nfs/dbraw/zinc/16/86/32/1381168632.db2.gz WPNKJFQZLQWJIG-UHFFFAOYSA-N 0 0 328.303 3.358 10 5 EGBERN Cc1ccc(NC(=O)c2ocnc2-c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158232694 1381169032 /nfs/dbraw/zinc/16/90/32/1381169032.db2.gz ZLMMCEZAGFPWIS-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN COc1cncc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001287600002 1381281893 /nfs/dbraw/zinc/28/18/93/1381281893.db2.gz SUUMTLLZQYDBQI-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1ccc(CNC(=O)c2cn(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC001287965614 1381452127 /nfs/dbraw/zinc/45/21/27/1381452127.db2.gz UXKLAWQUUXKQBI-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC001288127666 1381571461 /nfs/dbraw/zinc/57/14/61/1381571461.db2.gz HTKKNKUBAVJOQC-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001288195500 1381701375 /nfs/dbraw/zinc/70/13/75/1381701375.db2.gz HLCWNWZODINYFX-QAPCUYQASA-N 0 0 332.400 3.334 10 5 EGBERN C=C/C=C\CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001288433133 1381810989 /nfs/dbraw/zinc/81/09/89/1381810989.db2.gz MIMOGEBWZYRRFN-ARJAWSKDSA-N 0 0 339.189 3.148 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(=O)C[C@H]1c1ccccc1 ZINC001159535385 1381820037 /nfs/dbraw/zinc/82/00/37/1381820037.db2.gz PHUNENPWEHENGX-KRWDZBQOSA-N 0 0 342.326 3.280 10 5 EGBERN Cc1nc2c(cccc2CCNC(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC001288625879 1381899246 /nfs/dbraw/zinc/89/92/46/1381899246.db2.gz FZSONGRNBRVULA-UHFFFAOYSA-N 0 0 339.351 3.325 10 5 EGBERN Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CCCO2)cc([N+](=O)[O-])c1 ZINC001289147072 1381977667 /nfs/dbraw/zinc/97/76/67/1381977667.db2.gz YOKXHZPDABIZLV-LJQANCHMSA-N 0 0 340.379 3.339 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2cncc(C(C)C)c2)cc([N+](=O)[O-])c1 ZINC001289449224 1381999811 /nfs/dbraw/zinc/99/98/11/1381999811.db2.gz KYZURLRQUSCEBH-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN COc1cccc2c1CC[C@@H]2OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001289927946 1382023377 /nfs/dbraw/zinc/02/33/77/1382023377.db2.gz RAHLNGMNYCMVST-KRWDZBQOSA-N 0 0 327.336 3.377 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC001160727392 1382180004 /nfs/dbraw/zinc/18/00/04/1382180004.db2.gz NTRAFYVZNMCWNV-NQBHXWOUSA-N 0 0 343.387 3.391 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N(C1CC1)[C@H]1CCCc2ccccc21 ZINC001292427295 1382196570 /nfs/dbraw/zinc/19/65/70/1382196570.db2.gz RFJRSLMHJISDNX-AWEZNQCLSA-N 0 0 326.356 3.000 10 5 EGBERN Nc1ncc(C(=O)N(Cc2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC001292822523 1382217773 /nfs/dbraw/zinc/21/77/73/1382217773.db2.gz UTBINGUDVSMRDD-UHFFFAOYSA-N 0 0 338.323 3.012 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC001293783180 1382357778 /nfs/dbraw/zinc/35/77/78/1382357778.db2.gz MHYCEXHGSMHKRJ-NSHDSACASA-N 0 0 349.799 3.407 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cc(F)ccc3[nH]2)c1C ZINC001293981486 1382402894 /nfs/dbraw/zinc/40/28/94/1382402894.db2.gz CXCRAVOKLDLOMS-UHFFFAOYSA-N 0 0 342.330 3.157 10 5 EGBERN CCc1cnc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)s1 ZINC001294171676 1382424401 /nfs/dbraw/zinc/42/44/01/1382424401.db2.gz PQLSZRSILSDOEI-UHFFFAOYSA-N 0 0 343.767 3.336 10 5 EGBERN Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1O ZINC001294758248 1382493244 /nfs/dbraw/zinc/49/32/44/1382493244.db2.gz PVYGUCVBELTVKB-UHFFFAOYSA-N 0 0 338.323 3.251 10 5 EGBERN O=C(Nc1cccc2ccc(O)cc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001295343201 1382611342 /nfs/dbraw/zinc/61/13/42/1382611342.db2.gz DRWYDPFZMHISTK-QGZVFWFLSA-N 0 0 338.319 3.126 10 5 EGBERN O=c1[nH]ccc(Nc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001162098320 1382629044 /nfs/dbraw/zinc/62/90/44/1382629044.db2.gz ABZKBGMSRASXIE-UHFFFAOYSA-N 0 0 329.234 3.380 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001295537109 1382702407 /nfs/dbraw/zinc/70/24/07/1382702407.db2.gz XJURGHIPFVKOKM-CDMKHQONSA-N 0 0 337.807 3.481 10 5 EGBERN O=C(c1cccc2c1COCC2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001328691777 1388810604 /nfs/dbraw/zinc/81/06/04/1388810604.db2.gz VYIMEKUKJFXVJV-UHFFFAOYSA-N 0 0 338.363 3.261 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001295820810 1382836152 /nfs/dbraw/zinc/83/61/52/1382836152.db2.gz QJGJSEOFRMTRFY-HNNXBMFYSA-N 0 0 332.331 3.250 10 5 EGBERN COC(=O)Cc1ccc(NC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC001162928694 1382919355 /nfs/dbraw/zinc/91/93/55/1382919355.db2.gz CSJXATABOAMNQL-YVMONPNESA-N 0 0 326.352 3.436 10 5 EGBERN CCCn1ncc(Nc2nc3ccccn3c2[N+](=O)[O-])c1C1CC1 ZINC001163346051 1383028526 /nfs/dbraw/zinc/02/85/26/1383028526.db2.gz CKEQONFIULKYGH-UHFFFAOYSA-N 0 0 326.360 3.470 10 5 EGBERN CC(C)Oc1nc(N[C@@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001163353790 1383029456 /nfs/dbraw/zinc/02/94/56/1383029456.db2.gz TVPCJSCHPIURIL-CJNGLKHVSA-N 0 0 339.436 3.478 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C1CCC1)C1CCCCC1 ZINC001163583339 1383083180 /nfs/dbraw/zinc/08/31/80/1383083180.db2.gz OKVDAUIHUFYZRT-HNNXBMFYSA-N 0 0 332.404 3.250 10 5 EGBERN CC(C)(C)OC(=O)Cc1ccc(Oc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001163604406 1383087065 /nfs/dbraw/zinc/08/70/65/1383087065.db2.gz BHGATWOSFQHHIQ-UHFFFAOYSA-N 0 0 346.339 3.372 10 5 EGBERN O=c1ccc(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c[nH]1 ZINC001163629412 1383091649 /nfs/dbraw/zinc/09/16/49/1383091649.db2.gz DDWIQETXXKMAIA-UHFFFAOYSA-N 0 0 327.262 3.369 10 5 EGBERN CN1C(=O)[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001163705164 1383110385 /nfs/dbraw/zinc/11/03/85/1383110385.db2.gz LKPHXQRROGBHHM-ZDUSSCGKSA-N 0 0 331.759 3.248 10 5 EGBERN CCOC(=O)[C@]1(F)CN(c2cc(C)sc2[N+](=O)[O-])CC12CCC2 ZINC001163707235 1383110468 /nfs/dbraw/zinc/11/04/68/1383110468.db2.gz ZFKUYNIDVFVJST-OAHLLOKOSA-N 0 0 342.392 3.226 10 5 EGBERN CCN(CCNC(=O)OC(C)(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001163733335 1383116330 /nfs/dbraw/zinc/11/63/30/1383116330.db2.gz HWXACYCPVFQIQP-UHFFFAOYSA-N 0 0 327.356 3.085 10 5 EGBERN CC1CCC(C)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001297105867 1383118436 /nfs/dbraw/zinc/11/84/36/1383118436.db2.gz KNETUUFPXOAJEJ-UHFFFAOYSA-N 0 0 330.388 3.304 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3c4ccccc4OC[C@@H]3F)nc2c1 ZINC001164114264 1383157722 /nfs/dbraw/zinc/15/77/22/1383157722.db2.gz CBNIRMNZQJLLNP-XHDPSFHLSA-N 0 0 328.303 3.355 10 5 EGBERN CNS(=O)(=O)c1ccc(SCC(C)(C)C(C)C)c([N+](=O)[O-])c1 ZINC001164177956 1383163491 /nfs/dbraw/zinc/16/34/91/1383163491.db2.gz ZRGNOVFJWKGCDT-UHFFFAOYSA-N 0 0 346.474 3.277 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1c(F)cc(O)cc1F ZINC001164212353 1383166585 /nfs/dbraw/zinc/16/65/85/1383166585.db2.gz MNUJKTGMVRSFGU-UHFFFAOYSA-N 0 0 345.305 3.203 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC(Cc3cccc(Br)c3)C2)nc1 ZINC001164276190 1383173897 /nfs/dbraw/zinc/17/38/97/1383173897.db2.gz DRLJCNPNSCJABI-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCC(C)(C)O1 ZINC001164302485 1383175815 /nfs/dbraw/zinc/17/58/15/1383175815.db2.gz AVXPQXGOMPCBSW-LBPRGKRZSA-N 0 0 336.388 3.449 10 5 EGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCc1ccc(Cl)cc1 ZINC001164453341 1383188392 /nfs/dbraw/zinc/18/83/92/1383188392.db2.gz FKXYQCIHGUBDEU-UHFFFAOYSA-N 0 0 329.743 3.201 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ccc(C)cc2[N+](=O)[O-])c1 ZINC001165275943 1383263656 /nfs/dbraw/zinc/26/36/56/1383263656.db2.gz NBKWCBLAYBQUEL-UHFFFAOYSA-N 0 0 346.295 3.177 10 5 EGBERN CCSCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001298042343 1383342942 /nfs/dbraw/zinc/34/29/42/1383342942.db2.gz XMZWQHFJGAZCOG-UHFFFAOYSA-N 0 0 332.385 3.077 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1F)Nc1ccc(F)cc1F ZINC001166211715 1383402761 /nfs/dbraw/zinc/40/27/61/1383402761.db2.gz IADJSHYPZRXIIM-UHFFFAOYSA-N 0 0 344.220 3.169 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001299127926 1383473867 /nfs/dbraw/zinc/47/38/67/1383473867.db2.gz WFTKYHVOMJOHHL-AWEZNQCLSA-N 0 0 332.404 3.003 10 5 EGBERN CC(C)(C)N1CC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398376 1383623077 /nfs/dbraw/zinc/62/30/77/1383623077.db2.gz ZIWOULNJGSMFNL-OAHLLOKOSA-N 0 0 331.416 3.137 10 5 EGBERN Cc1cccc(C2(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CCC2)c1 ZINC001299863442 1383632934 /nfs/dbraw/zinc/63/29/34/1383632934.db2.gz JSCQXJWPWAAKMI-UHFFFAOYSA-N 0 0 334.763 3.089 10 5 EGBERN O=C(N[C@H]1CCCC12CCCCC2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001300770357 1383680110 /nfs/dbraw/zinc/68/01/10/1383680110.db2.gz PQHRMBAQQLEVST-VIFPVBQESA-N 0 0 326.784 3.204 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001301062800 1383693362 /nfs/dbraw/zinc/69/33/62/1383693362.db2.gz PLACDLGHZMWNDV-ZDUSSCGKSA-N 0 0 327.331 3.121 10 5 EGBERN C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001303553455 1383804980 /nfs/dbraw/zinc/80/49/80/1383804980.db2.gz ISJQZUOIRLAKHI-ZDUSSCGKSA-N 0 0 326.352 3.435 10 5 EGBERN CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573280 1383807185 /nfs/dbraw/zinc/80/71/85/1383807185.db2.gz JSLUZAYSQYGPCG-GFCCVEGCSA-N 0 0 332.360 3.237 10 5 EGBERN CSc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC001168136847 1383824680 /nfs/dbraw/zinc/82/46/80/1383824680.db2.gz VORSJNONPYWXIV-ZBEGNZNMSA-N 0 0 346.408 3.169 10 5 EGBERN CSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC001168136845 1383824872 /nfs/dbraw/zinc/82/48/72/1383824872.db2.gz VORSJNONPYWXIV-MEDUHNTESA-N 0 0 346.408 3.169 10 5 EGBERN CC[C@@H]1CCCc2sc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)nc21 ZINC001304462101 1383846927 /nfs/dbraw/zinc/84/69/27/1383846927.db2.gz XLKYGEORFSTXIF-MRVPVSSYSA-N 0 0 347.400 3.111 10 5 EGBERN CCC(C)(C)C1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC001306327350 1383887284 /nfs/dbraw/zinc/88/72/84/1383887284.db2.gz FRGYYSCUZUTWAD-UHFFFAOYSA-N 0 0 335.404 3.420 10 5 EGBERN C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC(C)(C)C1 ZINC001306833321 1383908414 /nfs/dbraw/zinc/90/84/14/1383908414.db2.gz BNXIEYJQUBRXBJ-NWDGAFQWSA-N 0 0 335.404 3.278 10 5 EGBERN CCOC(=O)CCCCCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001306934784 1383922975 /nfs/dbraw/zinc/92/29/75/1383922975.db2.gz QWNHUPOMIHNIRK-UHFFFAOYSA-N 0 0 346.387 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccc(O)cc2)cn1 ZINC001307074173 1383937230 /nfs/dbraw/zinc/93/72/30/1383937230.db2.gz WYWFBWAEXAAEBS-UHFFFAOYSA-N 0 0 325.324 3.495 10 5 EGBERN CN(CCN1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001307149161 1383945573 /nfs/dbraw/zinc/94/55/73/1383945573.db2.gz AHYLLQWPJOEFCO-UHFFFAOYSA-N 0 0 342.237 3.279 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccnc2)cc1C(F)(F)F ZINC001307147099 1383945832 /nfs/dbraw/zinc/94/58/32/1383945832.db2.gz ZMPIDAJBEOCRTA-LBPRGKRZSA-N 0 0 327.262 3.154 10 5 EGBERN CN(Cc1ncccn1)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307193987 1383954162 /nfs/dbraw/zinc/95/41/62/1383954162.db2.gz ODXXPTLUQVRFKB-UHFFFAOYSA-N 0 0 348.362 3.252 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001307208177 1383956906 /nfs/dbraw/zinc/95/69/06/1383956906.db2.gz GWMLMXZEHQNKNI-ZBFHGGJFSA-N 0 0 344.440 3.135 10 5 EGBERN COC(=O)c1ccc2cc(CCNc3ncccc3[N+](=O)[O-])oc2c1 ZINC001307229327 1383961107 /nfs/dbraw/zinc/96/11/07/1383961107.db2.gz HOFJDJBUPRFILQ-UHFFFAOYSA-N 0 0 341.323 3.177 10 5 EGBERN COC(=O)c1ccc(OCc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC001307327547 1383972103 /nfs/dbraw/zinc/97/21/03/1383972103.db2.gz GUBHAVFMDZXJII-UHFFFAOYSA-N 0 0 329.308 3.163 10 5 EGBERN COc1ccc2c(c1)C[C@H](CN1CCc3cc(C)c([N+](=O)[O-])cc31)O2 ZINC001168785540 1384004141 /nfs/dbraw/zinc/00/41/41/1384004141.db2.gz NHVROOXWYXFXCG-MRXNPFEDSA-N 0 0 340.379 3.278 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[Si](C)(C)c1ccccc1)CC2 ZINC001307640371 1384007349 /nfs/dbraw/zinc/00/73/49/1384007349.db2.gz ZMLOXNUMVXWEOB-UHFFFAOYSA-N 0 0 326.472 3.421 10 5 EGBERN CC(C)(C)CCNC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424620 1384315223 /nfs/dbraw/zinc/31/52/23/1384315223.db2.gz NEEBOMFOXLOQFD-MRXNPFEDSA-N 0 0 347.459 3.327 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H]1[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001312433738 1384347797 /nfs/dbraw/zinc/34/77/97/1384347797.db2.gz WCOYLEHVYBCMHV-BHYGNILZSA-N 0 0 347.415 3.256 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001313297020 1384408534 /nfs/dbraw/zinc/40/85/34/1384408534.db2.gz UJOMLEHCGWUCME-YIYPIFLZSA-N 0 0 331.416 3.421 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC=C(C)C ZINC001316305609 1384457859 /nfs/dbraw/zinc/45/78/59/1384457859.db2.gz HNBRINAHNBVYHK-UHFFFAOYSA-N 0 0 331.376 3.207 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)NCCN(C)c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001316593813 1384463166 /nfs/dbraw/zinc/46/31/66/1384463166.db2.gz CEGRFBXWKBOJBF-SHTZXODSSA-N 0 0 348.447 3.067 10 5 EGBERN CCC(CC)(CC)C(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001316594731 1384463473 /nfs/dbraw/zinc/46/34/73/1384463473.db2.gz OINMVUFVDYKPHY-UHFFFAOYSA-N 0 0 336.436 3.067 10 5 EGBERN CCC(C)(C)CC(=O)NCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC001316594856 1384463686 /nfs/dbraw/zinc/46/36/86/1384463686.db2.gz SHCGDSGZGOEQGC-UHFFFAOYSA-N 0 0 325.384 3.113 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001176489225 1385603453 /nfs/dbraw/zinc/60/34/53/1385603453.db2.gz XSHPXHKCEGHLOR-PCDDKUFXSA-N 0 0 326.356 3.216 10 5 EGBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001176489223 1385603702 /nfs/dbraw/zinc/60/37/02/1385603702.db2.gz XSHPXHKCEGHLOR-HYNSBDGHSA-N 0 0 326.356 3.216 10 5 EGBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1cccc(Cl)c1[N+](=O)[O-] ZINC001177485909 1385975246 /nfs/dbraw/zinc/97/52/46/1385975246.db2.gz PIJLWJBRBFICSJ-UHFFFAOYSA-N 0 0 344.714 3.149 10 5 EGBERN CCn1cc(Cl)c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001178204433 1386158854 /nfs/dbraw/zinc/15/88/54/1386158854.db2.gz RYMVQTHPDCDRKG-UHFFFAOYSA-N 0 0 343.170 3.299 10 5 EGBERN CC(=O)c1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC001179397945 1386474240 /nfs/dbraw/zinc/47/42/40/1386474240.db2.gz APUQTVSOQPBRDR-NSHDSACASA-N 0 0 342.351 3.037 10 5 EGBERN Cc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)c(N)c1[N+](=O)[O-] ZINC001179878817 1386615835 /nfs/dbraw/zinc/61/58/35/1386615835.db2.gz FGVMRQZDTFIWLH-UHFFFAOYSA-N 0 0 349.350 3.195 10 5 EGBERN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1csc2ccccc21 ZINC001180226172 1386738465 /nfs/dbraw/zinc/73/84/65/1386738465.db2.gz NJEWJMTWHBPAPU-SECBINFHSA-N 0 0 342.380 3.278 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc2c(o1)CCCC2 ZINC001180596563 1386844193 /nfs/dbraw/zinc/84/41/93/1386844193.db2.gz RWQLLMNRAJRTBQ-UHFFFAOYSA-N 0 0 333.319 3.172 10 5 EGBERN Nc1c(-c2nnc(CCCc3cccs3)o2)cccc1[N+](=O)[O-] ZINC001322371227 1387173559 /nfs/dbraw/zinc/17/35/59/1387173559.db2.gz MIIFXHGYWOKTRS-UHFFFAOYSA-N 0 0 330.369 3.464 10 5 EGBERN O=[N+]([O-])c1ccc(SCc2nnc(Cc3ccccn3)o2)cc1 ZINC001322409987 1387181929 /nfs/dbraw/zinc/18/19/29/1387181929.db2.gz CQZGUYWIFAAFCL-UHFFFAOYSA-N 0 0 328.353 3.256 10 5 EGBERN O=C(N1CC[C@H]2OCCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001329754042 1389219239 /nfs/dbraw/zinc/21/92/39/1389219239.db2.gz IPKJOFOTNWJGCB-RHSMWYFYSA-N 0 0 344.411 3.044 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001330556785 1389454645 /nfs/dbraw/zinc/45/46/45/1389454645.db2.gz BZBWULRVIJCHCQ-CHWSQXEVSA-N 0 0 349.431 3.021 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001331247602 1389667157 /nfs/dbraw/zinc/66/71/57/1389667157.db2.gz NPITWHUHYLIZJM-AYMMMOKOSA-N 0 0 348.708 3.090 10 5 EGBERN CC(C)n1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC001331869350 1389893558 /nfs/dbraw/zinc/89/35/58/1389893558.db2.gz RGMHOXFZXSPOKK-UHFFFAOYSA-N 0 0 348.790 3.224 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332976098 1390228364 /nfs/dbraw/zinc/22/83/64/1390228364.db2.gz RABXKRBDUKBXFI-HNNXBMFYSA-N 0 0 349.431 3.114 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C3CCC2(CO)CC3)cc1[N+](=O)[O-] ZINC001340180104 1390243543 /nfs/dbraw/zinc/24/35/43/1390243543.db2.gz YQRVFEXYILJETQ-UHFFFAOYSA-N 0 0 332.400 3.022 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(CC2(F)F)C1 ZINC001333884794 1390429053 /nfs/dbraw/zinc/42/90/53/1390429053.db2.gz JLHGTWMPEPRXGS-UHFFFAOYSA-N 0 0 325.315 3.467 10 5 EGBERN CC(C)Oc1cccnc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001341333571 1390472636 /nfs/dbraw/zinc/47/26/36/1390472636.db2.gz ZZGQVPTUWNKJFY-UHFFFAOYSA-N 0 0 326.312 3.494 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001334781189 1390587759 /nfs/dbraw/zinc/58/77/59/1390587759.db2.gz HZLAMFYLNIBVFA-ZSBIGDGJSA-N 0 0 340.326 3.156 10 5 EGBERN COc1ccc(NC(=O)NCC(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001344496771 1390795234 /nfs/dbraw/zinc/79/52/34/1390795234.db2.gz OKLWVMKLLIVTHK-UHFFFAOYSA-N 0 0 335.282 3.313 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCOC2(CCOCC2)C1 ZINC001345003216 1390829945 /nfs/dbraw/zinc/82/99/45/1390829945.db2.gz VGEGBDLWGTVEMT-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC001345002449 1390829960 /nfs/dbraw/zinc/82/99/60/1390829960.db2.gz VUINUHRURXEBGX-AWEZNQCLSA-N 0 0 334.397 3.260 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001345304795 1390854346 /nfs/dbraw/zinc/85/43/46/1390854346.db2.gz UEIHPEVUSRAGBQ-WFASDCNBSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(OC[C@]12CCC[C@H]1OCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001345639126 1390870890 /nfs/dbraw/zinc/87/08/90/1390870890.db2.gz SGSVKVKWJPAIEY-BVIKNXMNSA-N 0 0 331.368 3.201 10 5 EGBERN COc1ccc(C(=O)OCCc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC001345661345 1390873301 /nfs/dbraw/zinc/87/33/01/1390873301.db2.gz CNXUYTAYKYPYRN-UHFFFAOYSA-N 0 0 336.369 3.076 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001345744650 1390882657 /nfs/dbraw/zinc/88/26/57/1390882657.db2.gz AXLKZPDXUGJSLK-VHSXEESVSA-N 0 0 325.390 3.009 10 5 EGBERN C[C@@H](NC(=O)[C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001346199752 1390914676 /nfs/dbraw/zinc/91/46/76/1390914676.db2.gz DFPHYLXUSCUTFJ-RDTXWAMCSA-N 0 0 342.395 3.328 10 5 EGBERN COc1ccc(NC(=O)N[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001346248461 1390918048 /nfs/dbraw/zinc/91/80/48/1390918048.db2.gz LTZWLVCEHQPHTF-SECBINFHSA-N 0 0 336.373 3.251 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001346248462 1390918082 /nfs/dbraw/zinc/91/80/82/1390918082.db2.gz LTZWLVCEHQPHTF-VIFPVBQESA-N 0 0 336.373 3.251 10 5 EGBERN O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001346833397 1390981312 /nfs/dbraw/zinc/98/13/12/1390981312.db2.gz CGIRFWGMHMJEOS-JFUSQASVSA-N 0 0 329.274 3.459 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nc(C2CC2)cs1 ZINC001347048934 1390995913 /nfs/dbraw/zinc/99/59/13/1390995913.db2.gz YDGMNAZELJYOQS-UHFFFAOYSA-N 0 0 339.323 3.137 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC001347430709 1391074730 /nfs/dbraw/zinc/07/47/30/1391074730.db2.gz PAERDFIJLMROOK-AWEZNQCLSA-N 0 0 331.324 3.361 10 5 EGBERN COc1ccc(NC(=O)NCC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001347535127 1391089288 /nfs/dbraw/zinc/08/92/88/1391089288.db2.gz NDXHUDWXVJFDNG-QMMMGPOBSA-N 0 0 348.186 3.309 10 5 EGBERN CC(C)(C(=O)NC[C@H]1OCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001347546508 1391091135 /nfs/dbraw/zinc/09/11/35/1391091135.db2.gz QKJJFYVVZCJFKP-QGZVFWFLSA-N 0 0 340.379 3.260 10 5 EGBERN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001348034553 1391163531 /nfs/dbraw/zinc/16/35/31/1391163531.db2.gz CLELEXMAZVSEAP-CHWSQXEVSA-N 0 0 346.412 3.387 10 5 EGBERN COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001348188493 1391183778 /nfs/dbraw/zinc/18/37/78/1391183778.db2.gz OCQBBPMRMVSYEB-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001348558101 1391237163 /nfs/dbraw/zinc/23/71/63/1391237163.db2.gz IZSFXJCBSGPSFC-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C2CC2)cc1 ZINC001348877885 1391279094 /nfs/dbraw/zinc/27/90/94/1391279094.db2.gz AVTLYHBCCSZVHY-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc3c(c2)OCCO3)c1C ZINC001349206990 1391311253 /nfs/dbraw/zinc/31/12/53/1391311253.db2.gz VIIOSSYAIJWCMZ-UHFFFAOYSA-N 0 0 329.308 3.202 10 5 EGBERN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001349558634 1391340970 /nfs/dbraw/zinc/34/09/70/1391340970.db2.gz DQZYZLALLPMEEB-ZACQAIPSSA-N 0 0 328.343 3.039 10 5 EGBERN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350054848 1391403783 /nfs/dbraw/zinc/40/37/83/1391403783.db2.gz XZICRWVRASRLMN-DYVFJYSZSA-N 0 0 347.415 3.419 10 5 EGBERN CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1 ZINC001350170127 1391424179 /nfs/dbraw/zinc/42/41/79/1391424179.db2.gz CVXPZAXIFMOBBK-UHFFFAOYSA-N 0 0 346.314 3.222 10 5 EGBERN O=C(Oc1ccc2c(c1)OCO2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001350297379 1391443270 /nfs/dbraw/zinc/44/32/70/1391443270.db2.gz AVKVNBDGBOKZLI-UHFFFAOYSA-N 0 0 341.319 3.351 10 5 EGBERN Cc1c(CC(=O)OC[C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC001350346231 1391450899 /nfs/dbraw/zinc/45/08/99/1391450899.db2.gz ZTEVZFYRNSHXPJ-AWEZNQCLSA-N 0 0 333.384 3.338 10 5 EGBERN Cc1c(OC(=O)c2ccccc2N=S(C)(C)=O)cccc1[N+](=O)[O-] ZINC001351048084 1391587581 /nfs/dbraw/zinc/58/75/81/1391587581.db2.gz OCLXMIIPOYONDG-UHFFFAOYSA-N 0 0 348.380 3.482 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001351055670 1391588918 /nfs/dbraw/zinc/58/89/18/1391588918.db2.gz BBKUTIHVKXXPMB-JIMOISOXSA-N 0 0 347.321 3.307 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(F)cc2)no1 ZINC001351109495 1391598406 /nfs/dbraw/zinc/59/84/06/1391598406.db2.gz NZUDVVWPWSDTGG-UHFFFAOYSA-N 0 0 341.298 3.319 10 5 EGBERN COc1ccc(CNC(=O)c2coc(C(F)F)c2)cc1[N+](=O)[O-] ZINC001351122968 1391600767 /nfs/dbraw/zinc/60/07/67/1391600767.db2.gz UKQKXAYNALJPIA-UHFFFAOYSA-N 0 0 326.255 3.064 10 5 EGBERN CO[C@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC001351152397 1391605188 /nfs/dbraw/zinc/60/51/88/1391605188.db2.gz CGETYKISPWIWLV-INIZCTEOSA-N 0 0 330.315 3.011 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)CC(F)(F)F)n1 ZINC001351180098 1391608100 /nfs/dbraw/zinc/60/81/00/1391608100.db2.gz QWQPCEHRFZIVJB-UHFFFAOYSA-N 0 0 343.261 3.096 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1 ZINC001351295259 1391622940 /nfs/dbraw/zinc/62/29/40/1391622940.db2.gz DDXQDPHPFRDTDJ-GOSISDBHSA-N 0 0 348.362 3.213 10 5 EGBERN Cc1ccc(NC(=O)c2cccc3c2OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001351387338 1391635181 /nfs/dbraw/zinc/63/51/81/1391635181.db2.gz APOPIHMSCOUUNB-UHFFFAOYSA-N 0 0 336.250 3.477 10 5 EGBERN O=C(Oc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001351450574 1391640383 /nfs/dbraw/zinc/64/03/83/1391640383.db2.gz NWMFHMFUXKIADL-UHFFFAOYSA-N 0 0 327.271 3.139 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nnc(-c3ccccc3)s2)n1 ZINC001352014945 1391744688 /nfs/dbraw/zinc/74/46/88/1391744688.db2.gz ZRNRSZAFBOFQPD-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1nc2ccc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cc2o1 ZINC001352390928 1391792548 /nfs/dbraw/zinc/79/25/48/1391792548.db2.gz MCPLBRYRAKBDGR-UHFFFAOYSA-N 0 0 329.287 3.365 10 5 EGBERN COC(=O)c1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001352509073 1391806685 /nfs/dbraw/zinc/80/66/85/1391806685.db2.gz CMBNZHOWGZBHFW-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC001352634090 1391826789 /nfs/dbraw/zinc/82/67/89/1391826789.db2.gz BWRHPBOAOSMYJR-ZETCQYMHSA-N 0 0 346.240 3.149 10 5 EGBERN Cc1c(NC(=O)c2cccc3c2OCCCO3)cccc1[N+](=O)[O-] ZINC001352649148 1391828160 /nfs/dbraw/zinc/82/81/60/1391828160.db2.gz SMYBOYSCDKOQST-UHFFFAOYSA-N 0 0 328.324 3.317 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccnc2ccccc21 ZINC001353120958 1391937623 /nfs/dbraw/zinc/93/76/23/1391937623.db2.gz RIOADTWUAVZBFS-UHFFFAOYSA-N 0 0 339.326 3.275 10 5 EGBERN CCCNC(=O)c1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001353574929 1392042595 /nfs/dbraw/zinc/04/25/95/1392042595.db2.gz KZLSCTBNFUHVMA-UHFFFAOYSA-N 0 0 345.330 3.126 10 5 EGBERN CCCCCCO[C@H](C)C(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC001353640600 1392057270 /nfs/dbraw/zinc/05/72/70/1392057270.db2.gz KLNSBZJMPOPTHG-GFCCVEGCSA-N 0 0 325.361 3.494 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ncc2ccccn21 ZINC001353859304 1392102853 /nfs/dbraw/zinc/10/28/53/1392102853.db2.gz AZTVJPCUNGCHHJ-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(c1ccsn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC001353904120 1392107234 /nfs/dbraw/zinc/10/72/34/1392107234.db2.gz FKWLUSREFOFAFP-UHFFFAOYSA-N 0 0 345.302 3.256 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001354089826 1392119781 /nfs/dbraw/zinc/11/97/81/1392119781.db2.gz SVCHNXPWBMNOKH-UHFFFAOYSA-N 0 0 333.280 3.370 10 5 EGBERN Cc1noc2ncc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cc12 ZINC001354309687 1392137352 /nfs/dbraw/zinc/13/73/52/1392137352.db2.gz ZCXYZAKUCFIBQI-GJZGRUSLSA-N 0 0 338.323 3.182 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc2cc(F)ccc2n1C ZINC001354454905 1392145270 /nfs/dbraw/zinc/14/52/70/1392145270.db2.gz XZDOGLMZWAKNNL-UHFFFAOYSA-N 0 0 342.330 3.490 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1coc(=O)c2ccccc12 ZINC001354576594 1392153934 /nfs/dbraw/zinc/15/39/34/1392153934.db2.gz LQPVNFKTAGEZMZ-UHFFFAOYSA-N 0 0 346.245 3.232 10 5 EGBERN O=C(Cc1cccc2cnccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354842253 1392172330 /nfs/dbraw/zinc/17/23/30/1392172330.db2.gz RRXHIUDYHXEHKK-UHFFFAOYSA-N 0 0 333.347 3.228 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncnc2ccsc21 ZINC001355016638 1392185967 /nfs/dbraw/zinc/18/59/67/1392185967.db2.gz WABNRRWLVDTXBS-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1nsc2ccccc12 ZINC001355056052 1392190035 /nfs/dbraw/zinc/19/00/35/1392190035.db2.gz QHEXPPABAXQYDQ-UHFFFAOYSA-N 0 0 343.364 3.394 10 5 EGBERN CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001486360860 1396192264 /nfs/dbraw/zinc/19/22/64/1396192264.db2.gz NOKOZKGHTJHJFV-UHFFFAOYSA-N 0 0 347.459 3.454 10 5 EGBERN CC(C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)=C1CCCC1 ZINC001687471063 1396383553 /nfs/dbraw/zinc/38/35/53/1396383553.db2.gz BRWYEEVOJPRNLB-UHFFFAOYSA-N 0 0 343.427 3.130 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687491885 1396392967 /nfs/dbraw/zinc/39/29/67/1396392967.db2.gz HCXVZYDECQVERQ-IIYDPXPESA-N 0 0 343.383 3.077 10 5 EGBERN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCC(C)C ZINC001694643284 1406057948 /nfs/dbraw/zinc/05/79/48/1406057948.db2.gz VHRRIBJZZPWEJC-UHFFFAOYSA-N 0 0 345.447 3.474 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC)OC ZINC001695317800 1406090435 /nfs/dbraw/zinc/09/04/35/1406090435.db2.gz NZRLKWCAVKJLLR-HNNXBMFYSA-N 0 0 347.419 3.125 10 5 EGBERN CC(C)c1ccoc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001714557270 1419284772 /nfs/dbraw/zinc/28/47/72/1419284772.db2.gz XWYLAXMVQCSVDO-UHFFFAOYSA-N 0 0 345.399 3.173 10 5 EGBERN CCCN(CCNC(=O)c1occc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648314 1419424201 /nfs/dbraw/zinc/42/42/01/1419424201.db2.gz SJLUCIXAUXEXDJ-UHFFFAOYSA-N 0 0 345.399 3.138 10 5 EGBERN CCCCCCC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716751224 1420902301 /nfs/dbraw/zinc/90/23/01/1420902301.db2.gz COHWRRLYLVSQGI-UHFFFAOYSA-N 0 0 333.432 3.208 10 5 EGBERN CCC(C)(CC)C(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001716753335 1420904814 /nfs/dbraw/zinc/90/48/14/1420904814.db2.gz BKVGDFRHOBDMDX-UHFFFAOYSA-N 0 0 339.461 3.125 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@@H]1C ZINC001728386314 1427147710 /nfs/dbraw/zinc/14/77/10/1427147710.db2.gz MIRQHYAZBOOTCL-JSGCOSHPSA-N 0 0 329.404 3.356 10 5 EGBERN CN(CCNC(=O)CC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731767557 1427875651 /nfs/dbraw/zinc/87/56/51/1427875651.db2.gz ZZVWDLSAEQWYRN-UHFFFAOYSA-N 0 0 331.416 3.033 10 5 EGBERN Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC1CCCC1 ZINC001742764025 1439523069 /nfs/dbraw/zinc/52/30/69/1439523069.db2.gz ULZQUPJHWWTVBH-UHFFFAOYSA-N 0 0 343.431 3.364 10 5 EGBERN NC(=O)c1ccc(NC[C@H]2CC[C@@H](c3ccccc3)O2)c([N+](=O)[O-])c1 ZINC000368178068 168320698 /nfs/dbraw/zinc/32/06/98/168320698.db2.gz RGZCXKMANVCMQY-PBHICJAKSA-N 0 0 341.367 3.026 10 5 EGBERN O=[N+]([O-])c1ccc(CCNC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000173713028 231012733 /nfs/dbraw/zinc/01/27/33/231012733.db2.gz IIIOEUGBLPNJAC-UHFFFAOYSA-N 0 0 342.399 3.457 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000155531520 282167420 /nfs/dbraw/zinc/16/74/20/282167420.db2.gz KLNOYJXKKXVCJC-SNVBAGLBSA-N 0 0 329.381 3.439 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174844971 231323748 /nfs/dbraw/zinc/32/37/48/231323748.db2.gz JZMNOYAYRLXYKZ-MSOLQXFVSA-N 0 0 340.379 3.323 10 5 EGBERN CCc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000133655976 529729539 /nfs/dbraw/zinc/72/95/39/529729539.db2.gz VCGIPEPKCQOKQJ-MRXNPFEDSA-N 0 0 344.367 3.272 10 5 EGBERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000130851766 529761173 /nfs/dbraw/zinc/76/11/73/529761173.db2.gz ZZSJHLILCULAQC-HNNXBMFYSA-N 0 0 343.387 3.223 10 5 EGBERN CC(C)CCNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] ZINC000040660318 213365755 /nfs/dbraw/zinc/36/57/55/213365755.db2.gz PGUGAJQLFCMLLA-UHFFFAOYSA-N 0 0 326.360 3.182 10 5 EGBERN COc1ccccc1Nc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040648420 213363562 /nfs/dbraw/zinc/36/35/62/213363562.db2.gz GUXNNOWJHANJBU-UHFFFAOYSA-N 0 0 339.311 3.324 10 5 EGBERN CCOC(=O)c1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040597731 213356502 /nfs/dbraw/zinc/35/65/02/213356502.db2.gz HYCOLUXVOOPHMK-UHFFFAOYSA-N 0 0 345.359 3.125 10 5 EGBERN CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040596344 213356268 /nfs/dbraw/zinc/35/62/68/213356268.db2.gz GWDUXHVTPIZIAA-UHFFFAOYSA-N 0 0 338.165 3.323 10 5 EGBERN CCOC(=O)c1ccccc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597811 213356150 /nfs/dbraw/zinc/35/61/50/213356150.db2.gz LJSHBCVMWBQVBX-UHFFFAOYSA-N 0 0 345.359 3.125 10 5 EGBERN CC(C)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000069366093 215389140 /nfs/dbraw/zinc/38/91/40/215389140.db2.gz KNNWIXLAZONTNF-OLZOCXBDSA-N 0 0 349.431 3.143 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371862180 168665973 /nfs/dbraw/zinc/66/59/73/168665973.db2.gz BGPFXMWMLJBWBB-AWEZNQCLSA-N 0 0 338.429 3.386 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183058033 234874769 /nfs/dbraw/zinc/87/47/69/234874769.db2.gz YNCQPVSIEXFHSN-UWVGGRQHSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000183373223 235032639 /nfs/dbraw/zinc/03/26/39/235032639.db2.gz FPDNSBUASOIBMS-QHCPKHFHSA-N 0 0 332.425 3.273 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cccnc2Cl)c1 ZINC000037981182 213181225 /nfs/dbraw/zinc/18/12/25/213181225.db2.gz ZYJWSUWXGBPUCM-UHFFFAOYSA-N 0 0 348.167 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 ZINC000037975326 213178431 /nfs/dbraw/zinc/17/84/31/213178431.db2.gz KSJNOADKJQVYOD-UHFFFAOYSA-N 0 0 330.724 3.188 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000186244635 235856329 /nfs/dbraw/zinc/85/63/29/235856329.db2.gz ZVVFSUNFZOYRIW-OAHLLOKOSA-N 0 0 346.412 3.406 10 5 EGBERN O=C(Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1)NC1CC1 ZINC000037555144 213156715 /nfs/dbraw/zinc/15/67/15/213156715.db2.gz NIVYQTAHZGHTEO-UHFFFAOYSA-N 0 0 325.368 3.028 10 5 EGBERN O=C(Nc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])[nH]1 ZINC000037011366 213129583 /nfs/dbraw/zinc/12/95/83/213129583.db2.gz XSZZUEFVGIDXFE-UHFFFAOYSA-N 0 0 328.097 3.077 10 5 EGBERN NC(=O)c1ccc(N2CC=C(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000183964420 283377640 /nfs/dbraw/zinc/37/76/40/283377640.db2.gz SKFUQSXDUBPKQJ-UHFFFAOYSA-N 0 0 341.342 3.127 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189860342 237328531 /nfs/dbraw/zinc/32/85/31/237328531.db2.gz RBHDAAAHGJCABY-RNCFNFMXSA-N 0 0 327.768 3.137 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000000067894 209397975 /nfs/dbraw/zinc/39/79/75/209397975.db2.gz SMCLJZRNVYXBTA-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000072545424 216271212 /nfs/dbraw/zinc/27/12/12/216271212.db2.gz RBBQBFZRXRHRRT-VHSXEESVSA-N 0 0 335.360 3.380 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000075291659 216604972 /nfs/dbraw/zinc/60/49/72/216604972.db2.gz RKSBZFPHRDUVLK-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000372114442 242042182 /nfs/dbraw/zinc/04/21/82/242042182.db2.gz SLJQPFUHEIYXKR-HZMBPMFUSA-N 0 0 332.381 3.121 10 5 EGBERN O=C(N[C@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346619252 284165427 /nfs/dbraw/zinc/16/54/27/284165427.db2.gz KPZFARGPUYBHNM-QOZQQMKHSA-N 0 0 325.368 3.452 10 5 EGBERN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(F)cc1 ZINC000000381307 284288748 /nfs/dbraw/zinc/28/87/48/284288748.db2.gz KAQMBXKTZMXKGZ-UHFFFAOYSA-N 0 0 328.255 3.093 10 5 EGBERN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000110505912 220040613 /nfs/dbraw/zinc/04/06/13/220040613.db2.gz ZOFSSWNUAQFPRL-SSDOTTSWSA-N 0 0 325.415 3.475 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185334286 284359761 /nfs/dbraw/zinc/35/97/61/284359761.db2.gz HNEDVOLKNSXJQF-ZDUSSCGKSA-N 0 0 348.742 3.316 10 5 EGBERN COc1cc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000376003846 168855440 /nfs/dbraw/zinc/85/54/40/168855440.db2.gz OXMKWDCBLIYRTQ-KGLIPLIRSA-N 0 0 347.415 3.197 10 5 EGBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266033268 248050073 /nfs/dbraw/zinc/05/00/73/248050073.db2.gz MYSHYUNBHWJOAE-MRXNPFEDSA-N 0 0 326.352 3.004 10 5 EGBERN COC(=O)c1cnc(N2CCc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000343266379 284601584 /nfs/dbraw/zinc/60/15/84/284601584.db2.gz RMTRHNQMAVHGLF-UHFFFAOYSA-N 0 0 327.340 3.087 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000408085462 169159081 /nfs/dbraw/zinc/15/90/81/169159081.db2.gz ZZFDPAPCTNECMP-CYBMUJFWSA-N 0 0 338.429 3.104 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](C3CCCCC3)C2)c(Cl)c1 ZINC000408196978 169165087 /nfs/dbraw/zinc/16/50/87/169165087.db2.gz GLHSYCXFNWBHSG-AWEZNQCLSA-N 0 0 325.796 3.429 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]c3ccccc3c2C1 ZINC000011975979 211275504 /nfs/dbraw/zinc/27/55/04/211275504.db2.gz WYESSHOBUZZMSR-UHFFFAOYSA-N 0 0 327.365 3.336 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@H](c2nccs2)C1 ZINC000092831347 218173307 /nfs/dbraw/zinc/17/33/07/218173307.db2.gz PYWGQQMJFFMTQD-UJAVWCLSSA-N 0 0 331.397 3.138 10 5 EGBERN CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009394353 211079786 /nfs/dbraw/zinc/07/97/86/211079786.db2.gz SKBCMEWVPMVDJK-ZDUSSCGKSA-N 0 0 343.335 3.308 10 5 EGBERN Cc1cc(NC(=O)CN2CCc3sccc3C2)c([N+](=O)[O-])cc1C ZINC000008763061 211002282 /nfs/dbraw/zinc/00/22/82/211002282.db2.gz RWPGMOBELXULSU-UHFFFAOYSA-N 0 0 345.424 3.270 10 5 EGBERN CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006870151 210731716 /nfs/dbraw/zinc/73/17/16/210731716.db2.gz DXAQPHQILRAIEW-UHFFFAOYSA-N 0 0 331.284 3.423 10 5 EGBERN Cc1ncc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000267801953 251361103 /nfs/dbraw/zinc/36/11/03/251361103.db2.gz XAJVEDVAISYRCE-SNVBAGLBSA-N 0 0 334.401 3.229 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCF)CC1 ZINC000178675930 285085141 /nfs/dbraw/zinc/08/51/41/285085141.db2.gz NQYNUYWYOKELSJ-UHFFFAOYSA-N 0 0 335.301 3.095 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269358626 285092696 /nfs/dbraw/zinc/09/26/96/285092696.db2.gz IMRWJYKLMMFSKP-LLVKDONJSA-N 0 0 343.836 3.500 10 5 EGBERN COc1cc2ncnc(Nc3ccc([N+](=O)[O-])cc3F)c2cc1OC ZINC000113683051 220591311 /nfs/dbraw/zinc/59/13/11/220591311.db2.gz ZDYFOBVNOYORTB-UHFFFAOYSA-N 0 0 344.302 3.438 10 5 EGBERN CCc1ncc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000119188140 221261787 /nfs/dbraw/zinc/26/17/87/221261787.db2.gz GROZMHJEUAYVSR-CQSZACIVSA-N 0 0 329.360 3.220 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000177104766 257954150 /nfs/dbraw/zinc/95/41/50/257954150.db2.gz PQTFKSBDVTWIKZ-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1(CO)CC1 ZINC000338010530 141073233 /nfs/dbraw/zinc/07/32/33/141073233.db2.gz YUXSWMJQWJUGHA-UHFFFAOYSA-N 0 0 343.339 3.034 10 5 EGBERN COc1cc2c(cc1F)CN(c1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000346272048 141189473 /nfs/dbraw/zinc/18/94/73/141189473.db2.gz WHIBXANEFSYBDK-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN C[C@H]1Oc2ccccc2[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000346281513 141190555 /nfs/dbraw/zinc/19/05/55/141190555.db2.gz VLWXLJVRRHTHKG-XLFHBGCDSA-N 0 0 348.305 3.054 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(COCc2ccccc2)no1 ZINC000346287936 141192522 /nfs/dbraw/zinc/19/25/22/141192522.db2.gz CNYCCJFQPFOCBY-UHFFFAOYSA-N 0 0 341.323 3.370 10 5 EGBERN CCNc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347884058 141209783 /nfs/dbraw/zinc/20/97/83/141209783.db2.gz VSOYYTDJOKFUKU-KOLCDFICSA-N 0 0 345.321 3.440 10 5 EGBERN Cn1ccnc1[C@H](NCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000353443958 141296832 /nfs/dbraw/zinc/29/68/32/141296832.db2.gz FCIGWXMOGDRVDA-MRXNPFEDSA-N 0 0 342.424 3.312 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000170993310 144000518 /nfs/dbraw/zinc/00/05/18/144000518.db2.gz SXEYRQRVGQDVSK-CABCVRRESA-N 0 0 347.758 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000172726959 144027020 /nfs/dbraw/zinc/02/70/20/144027020.db2.gz IGGIRUQDKDWIFQ-LLVKDONJSA-N 0 0 328.324 3.123 10 5 EGBERN Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc([N+](=O)[O-])c1 ZINC000183858039 144080913 /nfs/dbraw/zinc/08/09/13/144080913.db2.gz UBONFWRLTGUTFO-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN Cc1cccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1[N+](=O)[O-] ZINC000183898521 144081344 /nfs/dbraw/zinc/08/13/44/144081344.db2.gz YWBICTOJNXWLNQ-UHFFFAOYSA-N 0 0 348.362 3.290 10 5 EGBERN COc1cccc(NC2CCN(c3cccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000185434428 144112433 /nfs/dbraw/zinc/11/24/33/144112433.db2.gz MZAOBPYUWWLZIO-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN CCn1cnc2c1ncnc2Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000351561938 144279799 /nfs/dbraw/zinc/27/97/99/144279799.db2.gz IKSPPPYGFRXNNY-UHFFFAOYSA-N 0 0 336.311 3.095 10 5 EGBERN CO[C@@H]1CCC[C@@H](CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1 ZINC000361571482 144330436 /nfs/dbraw/zinc/33/04/36/144330436.db2.gz LQLRSLGZNCDSGF-WOSRLPQWSA-N 0 0 332.400 3.468 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)n1 ZINC000373046156 144490658 /nfs/dbraw/zinc/49/06/58/144490658.db2.gz UXUWPNDLAMDPCZ-OAHLLOKOSA-N 0 0 348.362 3.121 10 5 EGBERN Cc1sc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000374118432 144528826 /nfs/dbraw/zinc/52/88/26/144528826.db2.gz DBBRHWSUUGMDIU-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341086218 155149650 /nfs/dbraw/zinc/14/96/50/155149650.db2.gz MWVXTBRLRHFDPB-VNQPRFMTSA-N 0 0 335.404 3.160 10 5 EGBERN COc1cc(C)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341423881 155284543 /nfs/dbraw/zinc/28/45/43/155284543.db2.gz MKSCHWITVITLLP-UHFFFAOYSA-N 0 0 336.294 3.371 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2cccn2)c1 ZINC000116627013 152070831 /nfs/dbraw/zinc/07/08/31/152070831.db2.gz QCPJGEZUNQZDTK-CYBMUJFWSA-N 0 0 348.362 3.372 10 5 EGBERN CCOc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000341527123 155335035 /nfs/dbraw/zinc/33/50/35/155335035.db2.gz OSCJJOWBKZWQTP-UHFFFAOYSA-N 0 0 328.315 3.301 10 5 EGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000117590048 152104995 /nfs/dbraw/zinc/10/49/95/152104995.db2.gz WSCIJWRMMSBVEB-ANRSDYALSA-N 0 0 334.278 3.376 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119985597 152243243 /nfs/dbraw/zinc/24/32/43/152243243.db2.gz HEAXAJCPBHXUSI-NSHDSACASA-N 0 0 332.331 3.143 10 5 EGBERN O=C(NCc1ccc2ccccc2n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341543632 155345035 /nfs/dbraw/zinc/34/50/35/155345035.db2.gz LIOGJQWDAFPFBF-UHFFFAOYSA-N 0 0 325.299 3.212 10 5 EGBERN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1c(C)nn(C)c1C ZINC000122456369 152408381 /nfs/dbraw/zinc/40/83/81/152408381.db2.gz ZMQXQSSNNIDSDD-OAHLLOKOSA-N 0 0 332.404 3.195 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000158606049 152742360 /nfs/dbraw/zinc/74/23/60/152742360.db2.gz PLKHEPRSGCJWBF-AWEZNQCLSA-N 0 0 329.356 3.270 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCOCC2)c2ccccc21 ZINC000189823308 153098518 /nfs/dbraw/zinc/09/85/18/153098518.db2.gz GCWLQEYGTXRNSL-UHFFFAOYSA-N 0 0 344.392 3.365 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1COc2ccccc2C1 ZINC000191670756 153215732 /nfs/dbraw/zinc/21/57/32/153215732.db2.gz ADJBULGMVUJAQW-CYBMUJFWSA-N 0 0 349.346 3.333 10 5 EGBERN COc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000193036910 153274981 /nfs/dbraw/zinc/27/49/81/153274981.db2.gz KONBPCCAVULONK-KRWDZBQOSA-N 0 0 341.367 3.284 10 5 EGBERN CCc1onc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000193143640 153281178 /nfs/dbraw/zinc/28/11/78/153281178.db2.gz MMSQDZCCMGMPKD-UHFFFAOYSA-N 0 0 341.270 3.307 10 5 EGBERN CCOc1ncccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195144673 153384672 /nfs/dbraw/zinc/38/46/72/153384672.db2.gz CZCOOURKYMSCPE-UHFFFAOYSA-N 0 0 326.312 3.122 10 5 EGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000336871177 154224778 /nfs/dbraw/zinc/22/47/78/154224778.db2.gz DULVOMQVXPXXFM-UHFFFAOYSA-N 0 0 337.738 3.242 10 5 EGBERN COc1cc(NCCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1F ZINC000339357541 154814973 /nfs/dbraw/zinc/81/49/73/154814973.db2.gz GDFADSLXKSVMPK-UHFFFAOYSA-N 0 0 332.335 3.065 10 5 EGBERN COC(=O)c1cccc2c1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000339923298 155035736 /nfs/dbraw/zinc/03/57/36/155035736.db2.gz VCXHUZXKTGJFRY-UHFFFAOYSA-N 0 0 332.381 3.396 10 5 EGBERN COc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000339931705 155038728 /nfs/dbraw/zinc/03/87/28/155038728.db2.gz YBASADWLPVPLCS-UHFFFAOYSA-N 0 0 347.346 3.084 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345065938 155918594 /nfs/dbraw/zinc/91/85/94/155918594.db2.gz UVSKFDICAVCMSV-CYBMUJFWSA-N 0 0 348.424 3.092 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346861827 156168023 /nfs/dbraw/zinc/16/80/23/156168023.db2.gz GCLBLZKRWJDNGV-WPRPVWTQSA-N 0 0 347.293 3.408 10 5 EGBERN CCc1ccc(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000349016848 156320229 /nfs/dbraw/zinc/32/02/29/156320229.db2.gz WOELQOMBUVFWCF-OAHLLOKOSA-N 0 0 344.415 3.389 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000352771278 156476579 /nfs/dbraw/zinc/47/65/79/156476579.db2.gz NRYWDFKRTNWDMW-CZUORRHYSA-N 0 0 339.395 3.443 10 5 EGBERN CC[C@@H](C)C(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000036009784 286755297 /nfs/dbraw/zinc/75/52/97/286755297.db2.gz MNTJRMDAXYRVNS-CXAGYDPISA-N 0 0 327.384 3.374 10 5 EGBERN COc1ccc(-c2nc(CNc3cc([N+](=O)[O-])ccc3F)no2)cc1 ZINC000084491718 161854092 /nfs/dbraw/zinc/85/40/92/161854092.db2.gz KTHFEGAQMTVVLD-UHFFFAOYSA-N 0 0 344.302 3.405 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000105846734 162058418 /nfs/dbraw/zinc/05/84/18/162058418.db2.gz DDAPZENDJBIQSU-MRXNPFEDSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000105848931 162059575 /nfs/dbraw/zinc/05/95/75/162059575.db2.gz IXSVRPQFSVZJCC-LBPRGKRZSA-N 0 0 348.428 3.292 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000110455058 162128866 /nfs/dbraw/zinc/12/88/66/162128866.db2.gz BPLJMLSVHXYPAZ-UKRRQHHQSA-N 0 0 326.352 3.137 10 5 EGBERN COc1ccc(C(=O)Nc2ccc(CO)c(Cl)c2)cc1[N+](=O)[O-] ZINC000354157789 165975876 /nfs/dbraw/zinc/97/58/76/165975876.db2.gz KXLGWDWMDQZDRR-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338493932 163244873 /nfs/dbraw/zinc/24/48/73/163244873.db2.gz HAKQZLJOBROXPA-LBPRGKRZSA-N 0 0 344.820 3.027 10 5 EGBERN C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000338650232 163305739 /nfs/dbraw/zinc/30/57/39/163305739.db2.gz FDDZDUQGAXFZKT-CLLJXQQHSA-N 0 0 345.399 3.400 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCCc2csc(N3CCCC3)n2)c1 ZINC000338676979 163316428 /nfs/dbraw/zinc/31/64/28/163316428.db2.gz SOTPAHHNMWSBSP-UHFFFAOYSA-N 0 0 348.428 3.315 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2[nH]ccc2s1 ZINC000354797653 166034446 /nfs/dbraw/zinc/03/44/46/166034446.db2.gz WWELJUNRQWQTHB-UHFFFAOYSA-N 0 0 331.353 3.076 10 5 EGBERN CN1CCc2ccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc21 ZINC000343601589 163992303 /nfs/dbraw/zinc/99/23/03/163992303.db2.gz HDIBABDLGAAOSX-UHFFFAOYSA-N 0 0 347.321 3.047 10 5 EGBERN COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000343708840 164017837 /nfs/dbraw/zinc/01/78/37/164017837.db2.gz WHYULQDZMMOCRC-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(C)o1 ZINC000343751134 164026336 /nfs/dbraw/zinc/02/63/36/164026336.db2.gz OMFANXIFMHXWSI-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN CN(C[C@H]1CC=CCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343791822 164036265 /nfs/dbraw/zinc/03/62/65/164036265.db2.gz JGINNABIGHCSOU-AWEZNQCLSA-N 0 0 340.383 3.209 10 5 EGBERN CN(C[C@@H]1CC=CCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000343892388 164059906 /nfs/dbraw/zinc/05/99/06/164059906.db2.gz ZHLJRWFKCQXPKO-CQSZACIVSA-N 0 0 340.383 3.209 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])nc1)c1ccc2c(c1)OCCO2 ZINC000344427515 164176504 /nfs/dbraw/zinc/17/65/04/164176504.db2.gz FNFCNYQJNTVZTM-UHFFFAOYSA-N 0 0 329.356 3.151 10 5 EGBERN CCOC1CC(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000345743410 164257029 /nfs/dbraw/zinc/25/70/29/164257029.db2.gz BNAKDIBQNSUUBP-UHFFFAOYSA-N 0 0 326.780 3.196 10 5 EGBERN CO[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000345780422 164264692 /nfs/dbraw/zinc/26/46/92/164264692.db2.gz PPLNACUQSISGIC-MRXNPFEDSA-N 0 0 344.367 3.039 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3c(C)cc(C)cc3C)no2)n1 ZINC000345863627 164282288 /nfs/dbraw/zinc/28/22/88/164282288.db2.gz CIZLOOMMQBUMIJ-UHFFFAOYSA-N 0 0 341.371 3.377 10 5 EGBERN C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1cccnc1 ZINC000345989108 164311865 /nfs/dbraw/zinc/31/18/65/164311865.db2.gz JTSYMTFNSODIOC-QWHCGFSZSA-N 0 0 325.368 3.461 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Br)cc1 ZINC000347166704 164454196 /nfs/dbraw/zinc/45/41/96/164454196.db2.gz JRCLZGMBZAIEDY-UHFFFAOYSA-N 0 0 338.161 3.352 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000354939457 166069283 /nfs/dbraw/zinc/06/92/83/166069283.db2.gz VSQZABJAYVHJDX-HZPDHXFCSA-N 0 0 346.427 3.409 10 5 EGBERN CCOc1ccc(-c2nc([C@@](C)(OC)C3CC3)no2)cc1[N+](=O)[O-] ZINC000350420691 165047861 /nfs/dbraw/zinc/04/78/61/165047861.db2.gz OSXPQTWXJDKUSA-INIZCTEOSA-N 0 0 333.344 3.315 10 5 EGBERN O=C(Nc1c[nH]nc1-c1ccccn1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351611541 165102954 /nfs/dbraw/zinc/10/29/54/165102954.db2.gz RFBUXSRLUGHTLK-UHFFFAOYSA-N 0 0 342.290 3.163 10 5 EGBERN CNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000352024926 165197518 /nfs/dbraw/zinc/19/75/18/165197518.db2.gz ADKAEYWXRCETKG-UHFFFAOYSA-N 0 0 349.774 3.229 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000353210301 165675983 /nfs/dbraw/zinc/67/59/83/165675983.db2.gz YMLGHGKYIJCQRB-ZDUSSCGKSA-N 0 0 343.383 3.034 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355228227 166140703 /nfs/dbraw/zinc/14/07/03/166140703.db2.gz MHUTWCLORAVZFB-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN COc1cccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1F ZINC000355432170 166197999 /nfs/dbraw/zinc/19/79/99/166197999.db2.gz WPOUJKQNXACRPC-UHFFFAOYSA-N 0 0 330.275 3.042 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(F)cc1 ZINC000355552137 166241311 /nfs/dbraw/zinc/24/13/11/166241311.db2.gz DVOSWPANEZVJQM-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN CC(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCCc2cccnc21 ZINC000356017425 166376030 /nfs/dbraw/zinc/37/60/30/166376030.db2.gz XOOZFCBJGWAFMR-INIZCTEOSA-N 0 0 342.399 3.494 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000356729049 166494267 /nfs/dbraw/zinc/49/42/67/166494267.db2.gz FMUBUADMCOHMPA-GOSISDBHSA-N 0 0 347.415 3.280 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356758696 166502315 /nfs/dbraw/zinc/50/23/15/166502315.db2.gz QTMOVGBELLVKRN-KWQFWETISA-N 0 0 332.278 3.064 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000357907798 166809838 /nfs/dbraw/zinc/80/98/38/166809838.db2.gz IFCNVZWEVNHQMJ-ZDUSSCGKSA-N 0 0 348.378 3.375 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CC(F)F)C1CC1 ZINC000358974604 167024514 /nfs/dbraw/zinc/02/45/14/167024514.db2.gz IYGMTWLBAGZJDB-UHFFFAOYSA-N 0 0 336.241 3.066 10 5 EGBERN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358979115 167026246 /nfs/dbraw/zinc/02/62/46/167026246.db2.gz MFTVCSPNEDWNSK-SECBINFHSA-N 0 0 346.330 3.130 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2nnc3n2CCCCC3)n1 ZINC000359081186 167061859 /nfs/dbraw/zinc/06/18/59/167061859.db2.gz IWPWYAYRSALBEY-LBPRGKRZSA-N 0 0 330.392 3.098 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000359103660 167067810 /nfs/dbraw/zinc/06/78/10/167067810.db2.gz UJNUTHXLNQTPAM-OAHLLOKOSA-N 0 0 340.383 3.214 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000359120979 167072825 /nfs/dbraw/zinc/07/28/25/167072825.db2.gz IFMNXCOTLUHDMZ-KBPBESRZSA-N 0 0 346.383 3.498 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000359368470 167137697 /nfs/dbraw/zinc/13/76/97/167137697.db2.gz ZKSUPWYFUIACHG-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN Cc1c(CC(=O)Nc2cccc(CCCO)c2)cccc1[N+](=O)[O-] ZINC000359491169 167170666 /nfs/dbraw/zinc/17/06/66/167170666.db2.gz GZDIHDRJJKPFIN-UHFFFAOYSA-N 0 0 328.368 3.009 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCC2CCCC2)C1=O ZINC000359526734 167179486 /nfs/dbraw/zinc/17/94/86/167179486.db2.gz QDIZDGRTZBQARB-GOSISDBHSA-N 0 0 345.399 3.332 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1cccnc1 ZINC000361134346 167532820 /nfs/dbraw/zinc/53/28/20/167532820.db2.gz DWXRMUPNGPWEAA-MRXNPFEDSA-N 0 0 347.321 3.174 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000366427340 168119149 /nfs/dbraw/zinc/11/91/49/168119149.db2.gz GJWTVOZFNDXSRS-UHFFFAOYSA-N 0 0 342.286 3.345 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000366641437 168127349 /nfs/dbraw/zinc/12/73/49/168127349.db2.gz VADNKTIMXLJBKN-INIZCTEOSA-N 0 0 334.397 3.238 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000367178521 168189357 /nfs/dbraw/zinc/18/93/57/168189357.db2.gz JQTHYSVNKGNMND-SFHVURJKSA-N 0 0 344.342 3.071 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000367569156 168242983 /nfs/dbraw/zinc/24/29/83/168242983.db2.gz FVPLXMLIBJNNCU-CXAGYDPISA-N 0 0 344.342 3.242 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1nccn1-c1ccccc1 ZINC000170616236 226659232 /nfs/dbraw/zinc/65/92/32/226659232.db2.gz IKXZQVNPEHGALU-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1ccnc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000120419794 221574042 /nfs/dbraw/zinc/57/40/42/221574042.db2.gz LRDDQTFJWIFIQH-ZDUSSCGKSA-N 0 0 348.790 3.394 10 5 EGBERN COc1ccc(F)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000088408248 264702175 /nfs/dbraw/zinc/70/21/75/264702175.db2.gz BLKQNZJECOJFNO-UHFFFAOYSA-N 0 0 333.319 3.107 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000173040349 264957401 /nfs/dbraw/zinc/95/74/01/264957401.db2.gz ABJOILIAAQWOIX-UHFFFAOYSA-N 0 0 334.397 3.197 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173205530 264966474 /nfs/dbraw/zinc/96/64/74/264966474.db2.gz QBFKPWAHSQIDGH-NXEZZACHSA-N 0 0 332.809 3.057 10 5 EGBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000174309451 265042214 /nfs/dbraw/zinc/04/22/14/265042214.db2.gz IGNLOFJRGUJFAM-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN COc1cc(C)cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000179117427 265360958 /nfs/dbraw/zinc/36/09/58/265360958.db2.gz HTGQSRGGIDXRLY-UHFFFAOYSA-N 0 0 345.355 3.242 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccccn1 ZINC000179757397 265387794 /nfs/dbraw/zinc/38/77/94/265387794.db2.gz PLHUZGGRAVOISS-UHFFFAOYSA-N 0 0 345.424 3.464 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000188954449 265724174 /nfs/dbraw/zinc/72/41/74/265724174.db2.gz UYUPDXXDIPXGCW-UHFFFAOYSA-N 0 0 338.367 3.442 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189725388 265790102 /nfs/dbraw/zinc/79/01/02/265790102.db2.gz JAULHOSAFPJASM-VXGBXAGGSA-N 0 0 344.371 3.120 10 5 EGBERN Cc1c(CC(=O)N[C@@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000269629878 266329201 /nfs/dbraw/zinc/32/92/01/266329201.db2.gz OZQXYPHVNKYYPS-MRXNPFEDSA-N 0 0 328.343 3.389 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000275520388 267372815 /nfs/dbraw/zinc/37/28/15/267372815.db2.gz JNABNRQINVTMSW-UKRRQHHQSA-N 0 0 335.404 3.164 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](CC(F)(F)F)C1 ZINC000277399796 267782328 /nfs/dbraw/zinc/78/23/28/267782328.db2.gz FHINRXXDUDKKMJ-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000278426116 268009661 /nfs/dbraw/zinc/00/96/61/268009661.db2.gz CQNRSZLIURHSBF-UHFFFAOYSA-N 0 0 335.751 3.195 10 5 EGBERN COc1cc(C(=O)Nc2nc3cc(C)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000344507796 274091654 /nfs/dbraw/zinc/09/16/54/274091654.db2.gz ACCVITGWZDHXAF-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(C)(C)C)[nH]1 ZINC000012255591 275120328 /nfs/dbraw/zinc/12/03/28/275120328.db2.gz HKVXGOJJZVVKMU-UHFFFAOYSA-N 0 0 349.416 3.050 10 5 EGBERN Cc1sc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000187013432 275216865 /nfs/dbraw/zinc/21/68/65/275216865.db2.gz NTOHQLQEFISDST-QGZVFWFLSA-N 0 0 344.392 3.236 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189608639 275219950 /nfs/dbraw/zinc/21/99/50/275219950.db2.gz GIMNSNMODCQTCS-GFCCVEGCSA-N 0 0 338.429 3.394 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000281013386 275514382 /nfs/dbraw/zinc/51/43/82/275514382.db2.gz FPVBVYKUYHCEQM-AWEZNQCLSA-N 0 0 348.790 3.349 10 5 EGBERN Cc1c(C(=O)N2CCCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281171684 275527569 /nfs/dbraw/zinc/52/75/69/275527569.db2.gz XWJRUTARGBVKQT-INIZCTEOSA-N 0 0 328.372 3.004 10 5 EGBERN COc1ccc(CN2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000281752855 275573355 /nfs/dbraw/zinc/57/33/55/275573355.db2.gz YAXZSDLGSXWIOM-UHFFFAOYSA-N 0 0 327.178 3.088 10 5 EGBERN CC[C@H](NC(=O)c1scnc1COC)c1cccc([N+](=O)[O-])c1 ZINC000284718188 275821190 /nfs/dbraw/zinc/82/11/90/275821190.db2.gz FOTRQVZGPXXKRS-LBPRGKRZSA-N 0 0 335.385 3.079 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1ccnc(OC(F)F)c1 ZINC000286474936 276005004 /nfs/dbraw/zinc/00/50/04/276005004.db2.gz OTEQTTRKOFORCP-UHFFFAOYSA-N 0 0 339.298 3.350 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000286515595 276010601 /nfs/dbraw/zinc/01/06/01/276010601.db2.gz XAKBPHQCEUOAJD-NSHDSACASA-N 0 0 345.355 3.267 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)c1cccnc1 ZINC000342237510 276061980 /nfs/dbraw/zinc/06/19/80/276061980.db2.gz TUPBUCKSVKNTBK-NSHDSACASA-N 0 0 349.337 3.420 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286987468 276067217 /nfs/dbraw/zinc/06/72/17/276067217.db2.gz PDEHMRXWKSYZRQ-XPKDYRNWSA-N 0 0 335.404 3.018 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000287076139 276080167 /nfs/dbraw/zinc/08/01/67/276080167.db2.gz TWAILXQWSSNZLK-UHFFFAOYSA-N 0 0 327.384 3.393 10 5 EGBERN Cc1noc(C)c1C(C)(C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000288372254 276207181 /nfs/dbraw/zinc/20/71/81/276207181.db2.gz LBECBYOILJIHHE-SNVBAGLBSA-N 0 0 346.387 3.495 10 5 EGBERN CC(=O)[C@H](C)CCCCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288526381 276223830 /nfs/dbraw/zinc/22/38/30/276223830.db2.gz XVMQQLPDWLTLKN-CQSZACIVSA-N 0 0 334.416 3.381 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCC(C)(C)O3)n2)c1 ZINC000289192775 276302659 /nfs/dbraw/zinc/30/26/59/276302659.db2.gz XLNMFLFZECIJTF-CYBMUJFWSA-N 0 0 333.344 3.207 10 5 EGBERN COc1cc(CNc2cc(C3CC3)ccn2)c([N+](=O)[O-])cc1OC ZINC000289969752 276427207 /nfs/dbraw/zinc/42/72/07/276427207.db2.gz YUDNAOUOQNCPPF-UHFFFAOYSA-N 0 0 329.356 3.497 10 5 EGBERN CCOCc1nc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000290278341 276474329 /nfs/dbraw/zinc/47/43/29/276474329.db2.gz WWLOLJQPTVCEGL-RYUDHWBXSA-N 0 0 334.376 3.235 10 5 EGBERN C[C@H](O)C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000290518431 276505964 /nfs/dbraw/zinc/50/59/64/276505964.db2.gz CCHLSCAGXFOPIO-GXTWGEPZSA-N 0 0 340.383 3.438 10 5 EGBERN Cn1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000291090044 276587740 /nfs/dbraw/zinc/58/77/40/276587740.db2.gz PVZXZCIVMQZLNO-UHFFFAOYSA-N 0 0 341.371 3.032 10 5 EGBERN Cc1nc(C(C)C)oc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000291871480 276702000 /nfs/dbraw/zinc/70/20/00/276702000.db2.gz IPVHBIINASRPSE-UHFFFAOYSA-N 0 0 329.316 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292704309 276858396 /nfs/dbraw/zinc/85/83/96/276858396.db2.gz GTFLBWFIDHTCHR-GXTWGEPZSA-N 0 0 325.315 3.412 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000361724352 278312838 /nfs/dbraw/zinc/31/28/38/278312838.db2.gz BSZQIOUALOPYKE-FZKQIMNGSA-N 0 0 328.368 3.435 10 5 EGBERN CC1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[S@]1=O ZINC000126871542 278341611 /nfs/dbraw/zinc/34/16/11/278341611.db2.gz ZWSYMCPVYJZODL-HXUWFJFHSA-N 0 0 337.228 3.249 10 5 EGBERN Cc1cc(N2CCO[C@@H]3CCC[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000408298396 278713118 /nfs/dbraw/zinc/71/31/18/278713118.db2.gz OFQZAJGAAJGYBQ-SMDDNHRTSA-N 0 0 341.205 3.423 10 5 EGBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000155121701 278789696 /nfs/dbraw/zinc/78/96/96/278789696.db2.gz QUVVFLXHDCQTIK-DYVFJYSZSA-N 0 0 346.408 3.118 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000341191426 279013052 /nfs/dbraw/zinc/01/30/52/279013052.db2.gz PVXPGXGJQOMXTJ-LLVKDONJSA-N 0 0 349.346 3.440 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000344720972 279157780 /nfs/dbraw/zinc/15/77/80/279157780.db2.gz IBFFUCKXAUHYEW-MRXNPFEDSA-N 0 0 329.331 3.415 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3ncnc4cccc([N+](=O)[O-])c43)cc21 ZINC000362670668 279303265 /nfs/dbraw/zinc/30/32/65/279303265.db2.gz WMJKAXRODCSPQZ-UHFFFAOYSA-N 0 0 347.334 3.134 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1OCCc2ccccc21 ZINC000137256212 280023344 /nfs/dbraw/zinc/02/33/44/280023344.db2.gz KXIRTJFZDGAQGW-KPZWWZAWSA-N 0 0 338.363 3.186 10 5 EGBERN Cc1c(Br)c(N2CCCSCC2)ncc1[N+](=O)[O-] ZINC000347436728 280197991 /nfs/dbraw/zinc/19/79/91/280197991.db2.gz URFVTJPEFWQJRQ-UHFFFAOYSA-N 0 0 332.223 3.004 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000376476925 280355887 /nfs/dbraw/zinc/35/58/87/280355887.db2.gz AZSVERLTEHYISX-CQSZACIVSA-N 0 0 341.205 3.364 10 5 EGBERN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373772695 288260794 /nfs/dbraw/zinc/26/07/94/288260794.db2.gz REKCPFMOIAYPSW-HSMVNMDESA-N 0 0 340.807 3.411 10 5 EGBERN CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCO1 ZINC000342107377 288271578 /nfs/dbraw/zinc/27/15/78/288271578.db2.gz CBNLYBRVMRIBGY-JTQLQIEISA-N 0 0 346.305 3.255 10 5 EGBERN CCc1n[nH]c(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000342721037 281363110 /nfs/dbraw/zinc/36/31/10/281363110.db2.gz DEMRFNMAAVXFKA-IUODEOHRSA-N 0 0 342.399 3.494 10 5 EGBERN C[C@@H]1c2ccccc2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000340798360 289080821 /nfs/dbraw/zinc/08/08/21/289080821.db2.gz MVDWAPBAMZANJQ-LLVKDONJSA-N 0 0 332.381 3.080 10 5 EGBERN Cc1ccc([C@H]2CCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000371335442 301817262 /nfs/dbraw/zinc/81/72/62/301817262.db2.gz KZRQNSNVEHUSKK-CQSZACIVSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1csc([C@@H]2COCCN2c2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000189137904 302441976 /nfs/dbraw/zinc/44/19/76/302441976.db2.gz PUKRSWHIJRPQFC-LBPRGKRZSA-N 0 0 341.339 3.216 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000373773433 302621249 /nfs/dbraw/zinc/62/12/49/302621249.db2.gz ZLWDVSMCDAAYQU-HNNXBMFYSA-N 0 0 344.371 3.352 10 5 EGBERN CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000413582874 309038438 /nfs/dbraw/zinc/03/84/38/309038438.db2.gz AREQMOKLBFHSME-ZDUSSCGKSA-N 0 0 335.404 3.328 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056459994 307343414 /nfs/dbraw/zinc/34/34/14/307343414.db2.gz PVWDMESXZGNTBU-UHFFFAOYSA-N 0 0 343.383 3.124 10 5 EGBERN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245013 307356830 /nfs/dbraw/zinc/35/68/30/307356830.db2.gz KFFDYYRHONHSTR-UHFFFAOYSA-N 0 0 338.410 3.106 10 5 EGBERN CCc1ccc(C(=O)CCC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067329985 307365453 /nfs/dbraw/zinc/36/54/53/307365453.db2.gz URUAYWOCMPUFHU-UHFFFAOYSA-N 0 0 340.379 3.437 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H](C)c2nc(C)cs2)c1[N+](=O)[O-] ZINC000077963651 307415696 /nfs/dbraw/zinc/41/56/96/307415696.db2.gz LUOBBBWAVYQRQE-SECBINFHSA-N 0 0 336.373 3.105 10 5 EGBERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000129845510 307620434 /nfs/dbraw/zinc/62/04/34/307620434.db2.gz RAWMZASOHASOGE-AWEZNQCLSA-N 0 0 342.399 3.160 10 5 EGBERN COc1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000151336882 307731702 /nfs/dbraw/zinc/73/17/02/307731702.db2.gz JNSJWRNGJBSKOM-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000151776094 307738865 /nfs/dbraw/zinc/73/88/65/307738865.db2.gz QZVRNOGQHRTEMV-FZKQIMNGSA-N 0 0 340.379 3.367 10 5 EGBERN O=C1Nc2ccccc2[C@H]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153526280 307775106 /nfs/dbraw/zinc/77/51/06/307775106.db2.gz QDQQZHZXSOQVFZ-LLVKDONJSA-N 0 0 332.747 3.181 10 5 EGBERN O=C(Nc1ccc2c(c1)CCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000170635598 307932758 /nfs/dbraw/zinc/93/27/58/307932758.db2.gz HLDHYRPOWGODSW-UHFFFAOYSA-N 0 0 338.323 3.048 10 5 EGBERN COCc1ccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414432920 309079753 /nfs/dbraw/zinc/07/97/53/309079753.db2.gz SOKKRCRWXSYXGX-ZDUSSCGKSA-N 0 0 349.408 3.417 10 5 EGBERN CC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494395 308051425 /nfs/dbraw/zinc/05/14/25/308051425.db2.gz LADYSSWKDYAPHX-PKYBCLHXSA-N 0 0 339.386 3.269 10 5 EGBERN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494397 308051554 /nfs/dbraw/zinc/05/15/54/308051554.db2.gz LADYSSWKDYAPHX-ZQMJAJRESA-N 0 0 339.386 3.269 10 5 EGBERN C[C@@]12CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000292951313 308083560 /nfs/dbraw/zinc/08/35/60/308083560.db2.gz VHPZZBJKIVPBSH-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN CO[C@@H]1CCCC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293741214 308157904 /nfs/dbraw/zinc/15/79/04/308157904.db2.gz PWOYRWWTBMXATA-IAGOWNOFSA-N 0 0 332.400 3.291 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000414508449 309085529 /nfs/dbraw/zinc/08/55/29/309085529.db2.gz CLEIWGDJZVZYQN-GASCZTMLSA-N 0 0 341.415 3.500 10 5 EGBERN COc1cc(C(=O)N[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000294528259 308229200 /nfs/dbraw/zinc/22/92/00/308229200.db2.gz ZFHHTPRWXZZNMV-ZDUSSCGKSA-N 0 0 344.342 3.030 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294840885 308262963 /nfs/dbraw/zinc/26/29/63/308262963.db2.gz ZDWWCLWCWWJEPO-JTQLQIEISA-N 0 0 334.319 3.237 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296136612 308397366 /nfs/dbraw/zinc/39/73/66/308397366.db2.gz CLTJSJXKUYJKNQ-PWSUYJOCSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000298175710 308590448 /nfs/dbraw/zinc/59/04/48/308590448.db2.gz CRRUWNQRQKBOEL-RKDXNWHRSA-N 0 0 331.294 3.163 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000301192113 308691404 /nfs/dbraw/zinc/69/14/04/308691404.db2.gz SIMCXXNNWNVMPR-AWEZNQCLSA-N 0 0 333.432 3.280 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCCN2c2ccccc2[N+](=O)[O-])cc1 ZINC000301285831 308695060 /nfs/dbraw/zinc/69/50/60/308695060.db2.gz RKMJQIHLXPMSGE-QGZVFWFLSA-N 0 0 341.367 3.211 10 5 EGBERN COc1cccc(-c2noc(NCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000301350810 308697413 /nfs/dbraw/zinc/69/74/13/308697413.db2.gz IWBRFGTUNFSMRV-UHFFFAOYSA-N 0 0 326.312 3.266 10 5 EGBERN CC(C)Cn1cnnc1[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000301375748 308698346 /nfs/dbraw/zinc/69/83/46/308698346.db2.gz SBMIGXKWAMUIBZ-CQSZACIVSA-N 0 0 333.367 3.323 10 5 EGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000301541433 308704432 /nfs/dbraw/zinc/70/44/32/308704432.db2.gz KAPJGFGNLCIIQP-HMFCALDFSA-N 0 0 340.445 3.233 10 5 EGBERN COc1cc(NC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1F ZINC000301611976 308707493 /nfs/dbraw/zinc/70/74/93/308707493.db2.gz FFIIHTYARCKGBW-CQSZACIVSA-N 0 0 326.349 3.124 10 5 EGBERN Cc1nn(C)c(NC[C@@H]2C[C@@]23CCCc2ccccc23)c1[N+](=O)[O-] ZINC000301648781 308708896 /nfs/dbraw/zinc/70/88/96/308708896.db2.gz OZNOVWPTJKHIAT-KSSFIOAISA-N 0 0 326.400 3.343 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301693655 308711205 /nfs/dbraw/zinc/71/12/05/308711205.db2.gz LWXVEMZZBKEFTQ-CYBMUJFWSA-N 0 0 334.372 3.285 10 5 EGBERN COc1cc(NC[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000301828305 308717253 /nfs/dbraw/zinc/71/72/53/308717253.db2.gz GCFMEAWXMNWTMD-INIZCTEOSA-N 0 0 338.310 3.201 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H]3c3c(F)cccc3Cl)nn21 ZINC000301956995 308723062 /nfs/dbraw/zinc/72/30/62/308723062.db2.gz FYOVMBKYUNFRMW-KCJUWKMLSA-N 0 0 347.737 3.398 10 5 EGBERN Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301991284 308724454 /nfs/dbraw/zinc/72/44/54/308724454.db2.gz MPFWFVMHOPXARZ-KGLIPLIRSA-N 0 0 337.383 3.328 10 5 EGBERN CC(C)COc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301993964 308724501 /nfs/dbraw/zinc/72/45/01/308724501.db2.gz NSJVDQZUQOPEFL-UHFFFAOYSA-N 0 0 341.371 3.284 10 5 EGBERN COc1ccc(CC[C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000302015923 308725212 /nfs/dbraw/zinc/72/52/12/308725212.db2.gz YLINEPALILXXBW-GFCCVEGCSA-N 0 0 341.371 3.079 10 5 EGBERN CCc1nc(CNc2c(Br)cncc2[N+](=O)[O-])cs1 ZINC000302675672 308741729 /nfs/dbraw/zinc/74/17/29/308741729.db2.gz PTECTRRKNVTJGG-UHFFFAOYSA-N 0 0 343.206 3.383 10 5 EGBERN COC(=O)c1cc(N2CC(C)(C)OC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000302680687 308741861 /nfs/dbraw/zinc/74/18/61/308741861.db2.gz RUKMCQNLWVCYKR-UHFFFAOYSA-N 0 0 336.388 3.084 10 5 EGBERN CCC1(CC)CN(c2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000302737853 308743881 /nfs/dbraw/zinc/74/38/81/308743881.db2.gz BPRDQSUPBPLAJA-UHFFFAOYSA-N 0 0 346.836 3.042 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc4ccccc4n3)C2)nc1 ZINC000302781361 308745317 /nfs/dbraw/zinc/74/53/17/308745317.db2.gz JLDRPQPHMHBRNJ-CQSZACIVSA-N 0 0 335.367 3.229 10 5 EGBERN Cc1ccccc1C[C@@H](CO)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302864296 308748423 /nfs/dbraw/zinc/74/84/23/308748423.db2.gz XMOIQFBSPIPFCE-CQSZACIVSA-N 0 0 341.411 3.134 10 5 EGBERN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000331075628 308801734 /nfs/dbraw/zinc/80/17/34/308801734.db2.gz VLJQSKVBZSJINF-KOLCDFICSA-N 0 0 328.315 3.457 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000334010938 308873765 /nfs/dbraw/zinc/87/37/65/308873765.db2.gz WWDDTHDSCGLFIX-NEPJUHHUSA-N 0 0 335.404 3.439 10 5 EGBERN C[C@@]12CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000358596095 308892087 /nfs/dbraw/zinc/89/20/87/308892087.db2.gz STGYHDMDJQJYSK-GXTWGEPZSA-N 0 0 342.367 3.191 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(C(F)F)CC1 ZINC000413439137 309032082 /nfs/dbraw/zinc/03/20/82/309032082.db2.gz JRWFNDCVMUOHCF-UHFFFAOYSA-N 0 0 348.371 3.234 10 5 EGBERN CCOC(=O)c1ccnc(NC2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000413438228 309032152 /nfs/dbraw/zinc/03/21/52/309032152.db2.gz IRZYZTVBHKGWKN-UHFFFAOYSA-N 0 0 343.330 3.402 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CS3)nc1OCc1ccccc1 ZINC000413457178 309032858 /nfs/dbraw/zinc/03/28/58/309032858.db2.gz OCJSVSNFCMQZNF-KBPBESRZSA-N 0 0 343.408 3.263 10 5 EGBERN CCc1cc(N2C[C@@H]3C[C@H]2CS3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413463248 309033014 /nfs/dbraw/zinc/03/30/14/309033014.db2.gz XFPVJNNWAJFMPF-GJZGRUSLSA-N 0 0 342.424 3.308 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000416432768 309171720 /nfs/dbraw/zinc/17/17/20/309171720.db2.gz LSOLXSMQNOWQMF-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN CCc1[nH]nc(-c2nc([C@H](C)c3c(F)cccc3F)no2)c1[N+](=O)[O-] ZINC000420485659 309287846 /nfs/dbraw/zinc/28/78/46/309287846.db2.gz IMBXISPCIXLLQN-SSDOTTSWSA-N 0 0 349.297 3.360 10 5 EGBERN C[C@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000420595487 309289643 /nfs/dbraw/zinc/28/96/43/309289643.db2.gz GBZDIWQWMZJOFG-DINDLPBHSA-N 0 0 341.367 3.059 10 5 EGBERN CC[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000420622816 309290529 /nfs/dbraw/zinc/29/05/29/309290529.db2.gz UBSWWYXOYQUXPW-LSDHHAIUSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000420843860 309297830 /nfs/dbraw/zinc/29/78/30/309297830.db2.gz RTYNLFFWOWHCLH-AWEZNQCLSA-N 0 0 349.456 3.236 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000421478242 309326391 /nfs/dbraw/zinc/32/63/91/309326391.db2.gz PDZXLFXCRGVCDB-RBSFLKMASA-N 0 0 331.416 3.258 10 5 EGBERN CCOc1cccc(N2CC[C@H](c3nc(C4CC4)no3)C2)c1[N+](=O)[O-] ZINC000425249120 309470039 /nfs/dbraw/zinc/47/00/39/309470039.db2.gz BWPYXLUFYURMNQ-LBPRGKRZSA-N 0 0 344.371 3.248 10 5 EGBERN Cc1c(NC(=O)N[C@H]2CC23CC3)cc(Br)cc1[N+](=O)[O-] ZINC000425670251 309490013 /nfs/dbraw/zinc/49/00/13/309490013.db2.gz FJJMKCUXRMSXDM-NSHDSACASA-N 0 0 340.177 3.340 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)n1 ZINC000427339579 309527028 /nfs/dbraw/zinc/52/70/28/309527028.db2.gz WEYABTCGGZHGSX-GJZGRUSLSA-N 0 0 342.399 3.267 10 5 EGBERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000429367152 309579717 /nfs/dbraw/zinc/57/97/17/309579717.db2.gz UMEWVZLMKFCQOX-VXGBXAGGSA-N 0 0 339.461 3.124 10 5 EGBERN COc1ccc(OCc2ccc([N+](=O)[O-])cc2OC)cc1C(C)=O ZINC000429799831 309590562 /nfs/dbraw/zinc/59/05/62/309590562.db2.gz GSJNZVJXMAVATJ-UHFFFAOYSA-N 0 0 331.324 3.394 10 5 EGBERN Cc1c(NC(=O)c2ccncc2)cc(Br)cc1[N+](=O)[O-] ZINC000431184262 309627490 /nfs/dbraw/zinc/62/74/90/309627490.db2.gz SFYBBKYZWRUIOQ-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COCCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431237683 309628173 /nfs/dbraw/zinc/62/81/73/309628173.db2.gz LZDWBJZIFSUAGP-UHFFFAOYSA-N 0 0 345.193 3.421 10 5 EGBERN CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431588712 309637352 /nfs/dbraw/zinc/63/73/52/309637352.db2.gz UECCHPBQBCGTNW-UHFFFAOYSA-N 0 0 334.825 3.351 10 5 EGBERN CC(C)Oc1cc(NCCc2ccc([N+](=O)[O-])cc2)ccc1C(N)=O ZINC000432694154 309666081 /nfs/dbraw/zinc/66/60/81/309666081.db2.gz FTAHFTCUWYMQCW-UHFFFAOYSA-N 0 0 343.383 3.136 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](CC(F)(F)F)C3)c21 ZINC000433814094 309697176 /nfs/dbraw/zinc/69/71/76/309697176.db2.gz GVVYAAXBMFICTB-SECBINFHSA-N 0 0 326.278 3.317 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000435270381 309728388 /nfs/dbraw/zinc/72/83/88/309728388.db2.gz UYPYJAHROMCBCX-VIFPVBQESA-N 0 0 326.299 3.234 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000437913935 309803210 /nfs/dbraw/zinc/80/32/10/309803210.db2.gz GYQZAGSSRDRQFI-KXUCPTDWSA-N 0 0 327.768 3.278 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000437923726 309803509 /nfs/dbraw/zinc/80/35/09/309803509.db2.gz UXKUEOHUCMACNX-KGLIPLIRSA-N 0 0 348.399 3.180 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438143136 309807939 /nfs/dbraw/zinc/80/79/39/309807939.db2.gz UIPMDUGMBKBBRM-PRXAMGSTSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000438948884 309822977 /nfs/dbraw/zinc/82/29/77/309822977.db2.gz NUBUNUXBAFKMCD-SECBINFHSA-N 0 0 342.779 3.017 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc2nccn21 ZINC000439173454 309827853 /nfs/dbraw/zinc/82/78/53/309827853.db2.gz UFZHZOOQAHBOOE-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000444895885 309932932 /nfs/dbraw/zinc/93/29/32/309932932.db2.gz LLKKPLXGBDDOAP-QGZVFWFLSA-N 0 0 349.387 3.028 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000446488739 309962718 /nfs/dbraw/zinc/96/27/18/309962718.db2.gz QCYGCKBHYGQULX-UONOGXRCSA-N 0 0 333.388 3.184 10 5 EGBERN CC(C)(C)c1nc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000447676853 309985606 /nfs/dbraw/zinc/98/56/06/309985606.db2.gz RPXKPBNIDXVYKS-UHFFFAOYSA-N 0 0 345.428 3.302 10 5 EGBERN O=C(c1ccnc(OC(F)F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000449962910 310096250 /nfs/dbraw/zinc/09/62/50/310096250.db2.gz VVAQCJWEGXGBNR-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2O1 ZINC000450083495 310102459 /nfs/dbraw/zinc/10/24/59/310102459.db2.gz AUINTDXCJRNTDP-GFCCVEGCSA-N 0 0 338.363 3.117 10 5 EGBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000450109595 310103993 /nfs/dbraw/zinc/10/39/93/310103993.db2.gz CELGYZTZHMTLBG-ZIAGYGMSSA-N 0 0 340.383 3.247 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450138436 310105354 /nfs/dbraw/zinc/10/53/54/310105354.db2.gz ANBHVPVWWXGWCU-CYBMUJFWSA-N 0 0 328.372 3.103 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC(F)(F)C1 ZINC000450154501 310106150 /nfs/dbraw/zinc/10/61/50/310106150.db2.gz CKZMXBAEWLOCBE-GFCCVEGCSA-N 0 0 340.326 3.252 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450182472 310107316 /nfs/dbraw/zinc/10/73/16/310107316.db2.gz CUIVGILOWLJHCN-VXGBXAGGSA-N 0 0 328.290 3.284 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000450411760 310120972 /nfs/dbraw/zinc/12/09/72/310120972.db2.gz OWCGXIZITLREOM-GOSISDBHSA-N 0 0 341.367 3.269 10 5 EGBERN C[C@@H](CCO)N(Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450426680 310121914 /nfs/dbraw/zinc/12/19/14/310121914.db2.gz XBGXWTQYQVUQBX-ZDUSSCGKSA-N 0 0 340.383 3.249 10 5 EGBERN Cc1cccc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450659029 310135695 /nfs/dbraw/zinc/13/56/95/310135695.db2.gz PDZZAQITWUCNKT-CRAIPNDOSA-N 0 0 330.359 3.208 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450664847 310136072 /nfs/dbraw/zinc/13/60/72/310136072.db2.gz ZWSVBSDAHYGMEU-CRAIPNDOSA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(N[C@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000450789420 310142693 /nfs/dbraw/zinc/14/26/93/310142693.db2.gz GKTHGXUHXFLMOP-LRDDRELGSA-N 0 0 347.346 3.470 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450894621 310148286 /nfs/dbraw/zinc/14/82/86/310148286.db2.gz GQNGDVBKYBTWCO-NWDGAFQWSA-N 0 0 326.418 3.013 10 5 EGBERN C[C@@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451089188 310159912 /nfs/dbraw/zinc/15/99/12/310159912.db2.gz RCYDJDVTPNWQAT-ZYHUDNBSSA-N 0 0 348.371 3.011 10 5 EGBERN C[C@@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000451089186 310159945 /nfs/dbraw/zinc/15/99/45/310159945.db2.gz RCYDJDVTPNWQAT-PWSUYJOCSA-N 0 0 348.371 3.011 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264769 310168654 /nfs/dbraw/zinc/16/86/54/310168654.db2.gz NIYNUWYNHCKJMT-LSBZLQRGSA-N 0 0 344.386 3.456 10 5 EGBERN CC(C)[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000451913010 310203452 /nfs/dbraw/zinc/20/34/52/310203452.db2.gz VXDDVAOEDJDNPC-HOTGVXAUSA-N 0 0 340.445 3.037 10 5 EGBERN CC1(C)OCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452475574 310229469 /nfs/dbraw/zinc/22/94/69/310229469.db2.gz KOUZYHUJUJHPSE-ZDUSSCGKSA-N 0 0 347.396 3.016 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncccc1C ZINC000452801664 310242552 /nfs/dbraw/zinc/24/25/52/310242552.db2.gz ZXDCJZKOPUGCDS-UHFFFAOYSA-N 0 0 345.424 3.383 10 5 EGBERN O=C(CCOCC1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452831988 310244333 /nfs/dbraw/zinc/24/43/33/310244333.db2.gz AJDMMZXWBWITIB-INIZCTEOSA-N 0 0 332.400 3.118 10 5 EGBERN Cc1c(-c2noc(C(F)(F)C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000453246630 310266536 /nfs/dbraw/zinc/26/65/36/310266536.db2.gz CUBRQABNIDQVNG-UHFFFAOYSA-N 0 0 339.298 3.472 10 5 EGBERN O=C(NCc1cscn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454408111 310308144 /nfs/dbraw/zinc/30/81/44/310308144.db2.gz AAEHXACNYVGFRY-CYBMUJFWSA-N 0 0 346.412 3.141 10 5 EGBERN CCc1ncc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000454598121 310319085 /nfs/dbraw/zinc/31/90/85/310319085.db2.gz FRNSCOPIMIKQHH-NSHDSACASA-N 0 0 332.360 3.014 10 5 EGBERN CC[C@H](NC(=O)NCCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000455560425 310366745 /nfs/dbraw/zinc/36/67/45/310366745.db2.gz MJXKGGQJXXVSJH-CJNGLKHVSA-N 0 0 335.404 3.162 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456094332 310388216 /nfs/dbraw/zinc/38/82/16/310388216.db2.gz HDKHUHDQVPOJRD-UAGQMJEPSA-N 0 0 332.400 3.059 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000456103039 310388717 /nfs/dbraw/zinc/38/87/17/310388717.db2.gz AUYPFOKLJKNNLK-NXEZZACHSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1sc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000456312308 310397909 /nfs/dbraw/zinc/39/79/09/310397909.db2.gz KYUNFHGHXMYORP-GXTWGEPZSA-N 0 0 347.396 3.010 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456867165 310426489 /nfs/dbraw/zinc/42/64/89/310426489.db2.gz IPVNLRWJSJNKSM-HOCLYGCPSA-N 0 0 337.379 3.433 10 5 EGBERN C[C@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCCO1 ZINC000457796948 310472866 /nfs/dbraw/zinc/47/28/66/310472866.db2.gz UQKYUKLARQQLKF-CYBMUJFWSA-N 0 0 343.177 3.255 10 5 EGBERN CC(C)O[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000457874835 310476403 /nfs/dbraw/zinc/47/64/03/310476403.db2.gz QZHNHXSXMNXDPG-AOOOYVTPSA-N 0 0 346.305 3.299 10 5 EGBERN CC(C)(NC(=O)NCCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000458902519 310525639 /nfs/dbraw/zinc/52/56/39/310525639.db2.gz SPIQMXVAVXFWAT-UHFFFAOYSA-N 0 0 349.431 3.336 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465869916 310639069 /nfs/dbraw/zinc/63/90/69/310639069.db2.gz FWXBPTNEOHUGMY-SCLBCKFNSA-N 0 0 339.395 3.370 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000474397424 310792619 /nfs/dbraw/zinc/79/26/19/310792619.db2.gz ZENYWNHFWZCTPW-MXWKQRLJSA-N 0 0 346.836 3.303 10 5 EGBERN COc1cc(N[C@H]2CCc3cnn(C(C)C)c3C2)c(F)cc1[N+](=O)[O-] ZINC000477988659 310852822 /nfs/dbraw/zinc/85/28/22/310852822.db2.gz HTARQXMGHQEVKU-LBPRGKRZSA-N 0 0 348.378 3.489 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000480824548 310901387 /nfs/dbraw/zinc/90/13/87/310901387.db2.gz OYPOTSSOWCQSIC-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2C)c1 ZINC000480833544 310901567 /nfs/dbraw/zinc/90/15/67/310901567.db2.gz YZBSTWMMFDTPLK-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000486531369 310994680 /nfs/dbraw/zinc/99/46/80/310994680.db2.gz HYEQPPDFDNAVGT-HUUCEWRRSA-N 0 0 346.427 3.148 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)ccc1[N+](=O)[O-] ZINC000487145247 311012223 /nfs/dbraw/zinc/01/22/23/311012223.db2.gz BBBQLTDKFDMBTN-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc2c(n1)CCCC2 ZINC000487720816 311035261 /nfs/dbraw/zinc/03/52/61/311035261.db2.gz CAVJRHTUTPRVQN-UHFFFAOYSA-N 0 0 334.379 3.451 10 5 EGBERN CC[C@H](NC(=O)CN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000487862070 311040370 /nfs/dbraw/zinc/04/03/70/311040370.db2.gz RDNQTCCWIMGSEL-KRWDZBQOSA-N 0 0 339.395 3.225 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1cnn(CC(F)(F)F)c1 ZINC000488092528 311051061 /nfs/dbraw/zinc/05/10/61/311051061.db2.gz FCJLWKAKHKBZCW-UHFFFAOYSA-N 0 0 337.261 3.067 10 5 EGBERN Cc1ccc2[nH]c(CNc3c4ccccc4ncc3[N+](=O)[O-])nc2c1 ZINC000488098071 311051105 /nfs/dbraw/zinc/05/11/05/311051105.db2.gz AYLMMCUSIKRNFJ-UHFFFAOYSA-N 0 0 333.351 3.362 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1O ZINC000488119118 311051836 /nfs/dbraw/zinc/05/18/36/311051836.db2.gz BZCSCEAOMSGORR-CZUORRHYSA-N 0 0 329.400 3.376 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3ccncc23)n1 ZINC000490579872 311145851 /nfs/dbraw/zinc/14/58/51/311145851.db2.gz OEQRQLZWWXDOFU-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CC[C@H]1CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000490612486 311146794 /nfs/dbraw/zinc/14/67/94/311146794.db2.gz ZHZNQLMWLNPQSO-QMMMGPOBSA-N 0 0 339.200 3.075 10 5 EGBERN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CCCC1 ZINC000490624324 311146836 /nfs/dbraw/zinc/14/68/36/311146836.db2.gz HXVIAASQOJWRGM-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)c2ccncc12 ZINC000490709394 311150159 /nfs/dbraw/zinc/15/01/59/311150159.db2.gz KANHFMMYJNEVSI-UHFFFAOYSA-N 0 0 345.746 3.022 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000493357925 311364391 /nfs/dbraw/zinc/36/43/91/311364391.db2.gz HIVOWZDXCRIOMN-CABCVRRESA-N 0 0 346.408 3.046 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCCc2ccccc21 ZINC000502695782 311971289 /nfs/dbraw/zinc/97/12/89/311971289.db2.gz YJUJDOVXIDHNJV-UHFFFAOYSA-N 0 0 325.368 3.376 10 5 EGBERN O=C(CN1CCCC[C@@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502845511 311974293 /nfs/dbraw/zinc/97/42/93/311974293.db2.gz RGJOBKHTMKRWNR-LLVKDONJSA-N 0 0 347.749 3.306 10 5 EGBERN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512774592 312194672 /nfs/dbraw/zinc/19/46/72/312194672.db2.gz GZNCWGSNEXZGTC-UHFFFAOYSA-N 0 0 326.399 3.180 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512972427 312198966 /nfs/dbraw/zinc/19/89/66/312198966.db2.gz CZFGXQPHXCKYJM-HNNXBMFYSA-N 0 0 342.395 3.311 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000514950762 312256543 /nfs/dbraw/zinc/25/65/43/312256543.db2.gz KFSYETXPWKKDGU-CJNGLKHVSA-N 0 0 329.356 3.331 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCCOc1cccc(NC(C)=O)c1 ZINC000517780595 312393642 /nfs/dbraw/zinc/39/36/42/312393642.db2.gz YQKNDDWGNZBBNN-UHFFFAOYSA-N 0 0 345.355 3.053 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000518828348 312431372 /nfs/dbraw/zinc/43/13/72/312431372.db2.gz ITOCPXAWNGPOBC-CQSZACIVSA-N 0 0 328.372 3.079 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc(C)c2C(C)=O)cc1[N+](=O)[O-] ZINC000527093068 312827093 /nfs/dbraw/zinc/82/70/93/312827093.db2.gz JNZIJPVBWTWHPZ-UHFFFAOYSA-N 0 0 342.351 3.296 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000527094349 312828120 /nfs/dbraw/zinc/82/81/20/312828120.db2.gz QQORVOCDCOAEST-FQUUOJAGSA-N 0 0 335.404 3.172 10 5 EGBERN CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531633251 313693112 /nfs/dbraw/zinc/69/31/12/313693112.db2.gz PXXKLJOGFYUPKK-UHFFFAOYSA-N 0 0 327.340 3.471 10 5 EGBERN CCOc1ccc(Cl)cc1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535958121 314085824 /nfs/dbraw/zinc/08/58/24/314085824.db2.gz BDAVKABKZOVCSH-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1[N+](=O)[O-] ZINC000537450254 314182151 /nfs/dbraw/zinc/18/21/51/314182151.db2.gz UTZCQNKJUQHVHK-HNNXBMFYSA-N 0 0 332.743 3.499 10 5 EGBERN CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000537577985 314190160 /nfs/dbraw/zinc/19/01/60/314190160.db2.gz CPSRQXBVGBVPOM-MRXNPFEDSA-N 0 0 325.368 3.068 10 5 EGBERN CCOC(=O)c1cnc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc1C ZINC000538670629 314262626 /nfs/dbraw/zinc/26/26/26/314262626.db2.gz FBKJNQIHAWABGX-JTQLQIEISA-N 0 0 330.344 3.043 10 5 EGBERN COc1cc(CN2CCC(Nc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000538712881 314268695 /nfs/dbraw/zinc/26/86/95/314268695.db2.gz WNRGQZGYZGNWGM-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000539522122 314319077 /nfs/dbraw/zinc/31/90/77/314319077.db2.gz YMBOMYYPHZRPFF-GFCCVEGCSA-N 0 0 342.342 3.366 10 5 EGBERN CC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000539556646 314320591 /nfs/dbraw/zinc/32/05/91/314320591.db2.gz MPRIDTZWBYWHIZ-UHFFFAOYSA-N 0 0 340.445 3.375 10 5 EGBERN C[C@@](NC(=O)c1ccc([N+](=O)[O-])cn1)(c1ccccc1)C(F)(F)F ZINC000541877248 314500026 /nfs/dbraw/zinc/50/00/26/314500026.db2.gz ZUTXGOXHSYLDRE-CQSZACIVSA-N 0 0 339.273 3.197 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc(F)ccc3F)CC2)n1 ZINC000541935635 314506819 /nfs/dbraw/zinc/50/68/19/314506819.db2.gz DVNIDPPYGMANBR-UHFFFAOYSA-N 0 0 348.353 3.211 10 5 EGBERN CCCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000544967271 314726996 /nfs/dbraw/zinc/72/69/96/314726996.db2.gz XWEQJCCJPSQOGX-UHFFFAOYSA-N 0 0 328.328 3.439 10 5 EGBERN COC(=O)[C@@H](c1ccccc1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545931099 314793962 /nfs/dbraw/zinc/79/39/62/314793962.db2.gz PSXNMARFSYHMKL-GOSISDBHSA-N 0 0 340.379 3.176 10 5 EGBERN Cc1cc(Br)cc2c1CN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000546180211 314815191 /nfs/dbraw/zinc/81/51/91/314815191.db2.gz QLFKZOYKDFVMGT-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000549365247 315088634 /nfs/dbraw/zinc/08/86/34/315088634.db2.gz XRYSSEBZNFTAPP-CYBMUJFWSA-N 0 0 334.763 3.339 10 5 EGBERN CCOC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCCC1 ZINC000549616730 315099401 /nfs/dbraw/zinc/09/94/01/315099401.db2.gz NZQQLIHJJOPBLK-UHFFFAOYSA-N 0 0 336.388 3.451 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553079305 315243786 /nfs/dbraw/zinc/24/37/86/315243786.db2.gz JBPSWGSCBCRVGA-ZFWWWQNUSA-N 0 0 341.367 3.128 10 5 EGBERN CO[C@H]1C[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000553263041 315253976 /nfs/dbraw/zinc/25/39/76/315253976.db2.gz AODKRHXJADYPSY-AOOOYVTPSA-N 0 0 329.194 3.279 10 5 EGBERN CCOCc1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000553485825 315266234 /nfs/dbraw/zinc/26/62/34/315266234.db2.gz HQMPMHRKROCVKH-UHFFFAOYSA-N 0 0 345.355 3.365 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000554555460 315332008 /nfs/dbraw/zinc/33/20/08/315332008.db2.gz KPRZUNFAXHESMZ-LBPRGKRZSA-N 0 0 331.759 3.273 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(C(C)(C)C)nc1 ZINC000554691632 315343164 /nfs/dbraw/zinc/34/31/64/315343164.db2.gz JUGZGTKLIFSVCF-NSHDSACASA-N 0 0 340.383 3.274 10 5 EGBERN CCOC(=O)[C@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555799475 315403115 /nfs/dbraw/zinc/40/31/15/315403115.db2.gz PKVLGWMSYAWLMR-SFHVURJKSA-N 0 0 340.379 3.257 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2CCC(C)C)c1[N+](=O)[O-] ZINC000557626707 315523213 /nfs/dbraw/zinc/52/32/13/315523213.db2.gz HSAKPGHQJFUTPY-ZDUSSCGKSA-N 0 0 335.404 3.490 10 5 EGBERN Cc1ccc([C@H](C)CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000561214581 315749709 /nfs/dbraw/zinc/74/97/09/315749709.db2.gz WWWCVPXMPNCISJ-GFCCVEGCSA-N 0 0 338.367 3.190 10 5 EGBERN C[C@@H]1CCn2ncc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000563164826 315967635 /nfs/dbraw/zinc/96/76/35/315967635.db2.gz HCPGBDBVXFETQT-GFCCVEGCSA-N 0 0 342.399 3.039 10 5 EGBERN Cc1cc(N2CCC([NH+]3CCCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563208108 315977195 /nfs/dbraw/zinc/97/71/95/315977195.db2.gz UHKBVZVJSPGIEF-UHFFFAOYSA-N 0 0 347.415 3.056 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566679657 316512497 /nfs/dbraw/zinc/51/24/97/316512497.db2.gz BYWVDATUQJGUQC-YVEFUNNKSA-N 0 0 343.383 3.107 10 5 EGBERN C[C@H]1C[C@H]1c1noc(-c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568782358 316823245 /nfs/dbraw/zinc/82/32/45/316823245.db2.gz OJSWMZLBAMOZNA-JOYOIKCWSA-N 0 0 325.328 3.169 10 5 EGBERN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1nccn1CC(F)(F)F ZINC000569018985 316855673 /nfs/dbraw/zinc/85/56/73/316855673.db2.gz GKTNMAQKSNZALV-GFCCVEGCSA-N 0 0 340.305 3.131 10 5 EGBERN CN(CCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000573909120 317540684 /nfs/dbraw/zinc/54/06/84/317540684.db2.gz BUHICZKEDCARSY-UHFFFAOYSA-N 0 0 336.189 3.431 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000574365803 317590124 /nfs/dbraw/zinc/59/01/24/317590124.db2.gz HVKPEIKVWPULEA-SECBINFHSA-N 0 0 346.305 3.301 10 5 EGBERN CC1(C)CC(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000574507655 317605802 /nfs/dbraw/zinc/60/58/02/317605802.db2.gz QZYWCYPRDDRIQT-UHFFFAOYSA-N 0 0 344.415 3.354 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180349089 455160387 /nfs/dbraw/zinc/16/03/87/455160387.db2.gz COEDGNIZOAHHON-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN O=C(NC/C=C/c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000171993275 323265280 /nfs/dbraw/zinc/26/52/80/323265280.db2.gz CSVDZRAGRDJOKM-QPJJXVBHSA-N 0 0 348.362 3.224 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000179592125 323394635 /nfs/dbraw/zinc/39/46/35/323394635.db2.gz LPOUTTSQPYMCMC-AWEZNQCLSA-N 0 0 348.399 3.076 10 5 EGBERN COC[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000183674715 323627575 /nfs/dbraw/zinc/62/75/75/323627575.db2.gz NKYYDZJYRMTKAC-SJCJKPOMSA-N 0 0 346.358 3.341 10 5 EGBERN CCC[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186595448 323733638 /nfs/dbraw/zinc/73/36/38/323733638.db2.gz KRHMVOIDJDHQCK-AWEZNQCLSA-N 0 0 326.418 3.079 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nc(-c3cscn3)no2)cc1 ZINC000350546377 324088287 /nfs/dbraw/zinc/08/82/87/324088287.db2.gz PEIVROAIQFRLBG-UHFFFAOYSA-N 0 0 331.357 3.146 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000350610801 324106567 /nfs/dbraw/zinc/10/65/67/324106567.db2.gz NFTOHDPWSZPVGQ-SWLSCSKDSA-N 0 0 346.387 3.163 10 5 EGBERN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)sc2nccn12 ZINC000350872742 324132017 /nfs/dbraw/zinc/13/20/17/324132017.db2.gz LOPXFBUJPLFJPF-UHFFFAOYSA-N 0 0 333.354 3.391 10 5 EGBERN CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)s1 ZINC000351140615 324179384 /nfs/dbraw/zinc/17/93/84/324179384.db2.gz BPEUJBHSQKSNCM-SSDOTTSWSA-N 0 0 336.329 3.377 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@]3(F)c3ccccc3)n2)n1C ZINC000351208483 324195532 /nfs/dbraw/zinc/19/55/32/324195532.db2.gz CYVTXRHPUPVTSA-BZNIZROVSA-N 0 0 343.318 3.039 10 5 EGBERN COc1ccc(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000575151361 324428839 /nfs/dbraw/zinc/42/88/39/324428839.db2.gz DOUQUYBFDPRCIC-HOTGVXAUSA-N 0 0 340.379 3.066 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000577284874 324778408 /nfs/dbraw/zinc/77/84/08/324778408.db2.gz HROYHVUUGQFTQF-PSASIEDQSA-N 0 0 346.225 3.270 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C12CCC(CC1)C2 ZINC000579642221 325138556 /nfs/dbraw/zinc/13/85/56/325138556.db2.gz WWDPITJMDKLCCD-UHFFFAOYSA-N 0 0 327.384 3.315 10 5 EGBERN CC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000580489964 325256403 /nfs/dbraw/zinc/25/64/03/325256403.db2.gz GPBRRPVYOYFVFX-UHFFFAOYSA-N 0 0 330.388 3.108 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](O)CC12CCC2 ZINC000581601064 325375079 /nfs/dbraw/zinc/37/50/79/325375079.db2.gz VXUVTUDBOWPHIC-LLVKDONJSA-N 0 0 330.306 3.497 10 5 EGBERN CC(=Cc1nc(-c2ccc3n[nH]nc3c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000581761404 325388957 /nfs/dbraw/zinc/38/89/57/325388957.db2.gz KLYSTUYYTJFGIZ-NTMALXAHSA-N 0 0 348.322 3.477 10 5 EGBERN CCc1ncsc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581876602 325395317 /nfs/dbraw/zinc/39/53/17/325395317.db2.gz IRRAUMDUVHCPPX-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN CO[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000189850831 455246577 /nfs/dbraw/zinc/24/65/77/455246577.db2.gz BMNMJKMIXNAKQY-LBPRGKRZSA-N 0 0 330.340 3.152 10 5 EGBERN CCc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000173269211 455257185 /nfs/dbraw/zinc/25/71/85/455257185.db2.gz NJALZRLOMJMZJE-HNNXBMFYSA-N 0 0 326.352 3.411 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])cs1 ZINC000190005594 455270975 /nfs/dbraw/zinc/27/09/75/455270975.db2.gz PDEPHYWUHFMAJT-AWEZNQCLSA-N 0 0 346.412 3.135 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158141588 455273967 /nfs/dbraw/zinc/27/39/67/455273967.db2.gz JWIZKCAFSDJWGW-DAXOMENPSA-N 0 0 340.807 3.017 10 5 EGBERN O=[N+]([O-])/C(=C\Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000000127856 452515720 /nfs/dbraw/zinc/51/57/20/452515720.db2.gz YKOJSOPNJHDJBT-KAMYIIQDSA-N 0 0 325.353 3.030 10 5 EGBERN CC[C@@H](NC(=O)NOCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000158297969 455289681 /nfs/dbraw/zinc/28/96/81/455289681.db2.gz YKHJXAAPFPKVQB-LLVKDONJSA-N 0 0 335.282 3.229 10 5 EGBERN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003270996 452756406 /nfs/dbraw/zinc/75/64/06/452756406.db2.gz JAPXTYQJBZGKJO-UHFFFAOYSA-N 0 0 346.339 3.108 10 5 EGBERN Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000005550322 452882001 /nfs/dbraw/zinc/88/20/01/452882001.db2.gz QGPGLAWQXRLYGT-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN CCC(C)(C)[C@@H](C)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600697260 460570685 /nfs/dbraw/zinc/57/06/85/460570685.db2.gz BUNQAJKOWPDJLN-DIFFPNOSSA-N 0 0 333.388 3.187 10 5 EGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCC3(CC3)CC2)C1=O ZINC000600709136 460574473 /nfs/dbraw/zinc/57/44/73/460574473.db2.gz ZKZMODNBLBFTBY-KRWDZBQOSA-N 0 0 343.383 3.085 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1noc2ccccc21 ZINC000007069335 453029251 /nfs/dbraw/zinc/02/92/51/453029251.db2.gz RQJRJYKTMUTWTK-LBPRGKRZSA-N 0 0 339.351 3.498 10 5 EGBERN CC[C@@H](CSC)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181458074 455337723 /nfs/dbraw/zinc/33/77/23/455337723.db2.gz SZIBTVJHKOLOBY-JSGCOSHPSA-N 0 0 325.434 3.487 10 5 EGBERN Cc1cc(O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000010320537 453285866 /nfs/dbraw/zinc/28/58/66/453285866.db2.gz HSXJXDAKXNKAGX-QGZVFWFLSA-N 0 0 344.342 3.441 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN(C)CCOc1ccc(C)cc1 ZINC000016421902 453606301 /nfs/dbraw/zinc/60/63/01/453606301.db2.gz DWGKDTFXFRMKNA-UHFFFAOYSA-N 0 0 330.384 3.423 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000017916224 453640537 /nfs/dbraw/zinc/64/05/37/453640537.db2.gz GDWTXCSKBQKERI-JTQLQIEISA-N 0 0 346.314 3.012 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000022555823 453694157 /nfs/dbraw/zinc/69/41/57/453694157.db2.gz HGFPOVNVGJGKAY-GHMZBOCLSA-N 0 0 346.305 3.211 10 5 EGBERN O=C(NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000027030647 453810007 /nfs/dbraw/zinc/81/00/07/453810007.db2.gz SBVVRVJMFATBST-UHFFFAOYSA-N 0 0 346.286 3.485 10 5 EGBERN CCOc1cc(OC[C@H](O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000190691586 455367706 /nfs/dbraw/zinc/36/77/06/455367706.db2.gz DPRRSFZEMQCHGY-HNNXBMFYSA-N 0 0 339.294 3.384 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccn3)cc2[N+](=O)[O-])C1 ZINC000027653694 453819625 /nfs/dbraw/zinc/81/96/25/453819625.db2.gz PROIWCYJIJQUOQ-CYBMUJFWSA-N 0 0 340.383 3.478 10 5 EGBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000052720440 453842752 /nfs/dbraw/zinc/84/27/52/453842752.db2.gz YVIWDKWOVZMUDF-JTQLQIEISA-N 0 0 338.360 3.311 10 5 EGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066660969 453859932 /nfs/dbraw/zinc/85/99/32/453859932.db2.gz RSBUUJUBIJHAMM-JTQLQIEISA-N 0 0 339.355 3.496 10 5 EGBERN O=C(Nc1ccc(CNc2ccncc2[N+](=O)[O-])cc1)c1cccnc1 ZINC000066811540 453876474 /nfs/dbraw/zinc/87/64/74/453876474.db2.gz WAAPLGZBRRBAQJ-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN COc1ccc(Cl)cc1N1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000066812308 453876658 /nfs/dbraw/zinc/87/66/58/453876658.db2.gz IUOXPRDUGOUGHG-LBPRGKRZSA-N 0 0 348.790 3.343 10 5 EGBERN Cc1cnc(-c2cccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)o1 ZINC000066857711 453882193 /nfs/dbraw/zinc/88/21/93/453882193.db2.gz KLYFDDNEDAPPMQ-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN CCOC(=O)c1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000032806249 453892330 /nfs/dbraw/zinc/89/23/30/453892330.db2.gz MAMNIAKJEKLLGO-UHFFFAOYSA-N 0 0 333.325 3.273 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000067022738 453894971 /nfs/dbraw/zinc/89/49/71/453894971.db2.gz QYZLZHAUWIDRMR-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067091454 453902026 /nfs/dbraw/zinc/90/20/26/453902026.db2.gz GYTGBOCOEJLJMH-ZFWWWQNUSA-N 0 0 330.315 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000033158584 453907929 /nfs/dbraw/zinc/90/79/29/453907929.db2.gz GNJIZUWZOUCLNI-UHFFFAOYSA-N 0 0 332.360 3.155 10 5 EGBERN Cc1ccc(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000081825242 453912842 /nfs/dbraw/zinc/91/28/42/453912842.db2.gz ZGUQSQRSNHOADO-UHFFFAOYSA-N 0 0 346.339 3.229 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067869056 453975083 /nfs/dbraw/zinc/97/50/83/453975083.db2.gz ORVRCUALMQABNU-SJORKVTESA-N 0 0 335.363 3.222 10 5 EGBERN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1nc(Cc2ccc(F)cc2)no1 ZINC000084667703 454004612 /nfs/dbraw/zinc/00/46/12/454004612.db2.gz ZKNVCHFUEWPCIE-SNVBAGLBSA-N 0 0 344.302 3.243 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ncccc1[N+](=O)[O-] ZINC000085333733 454023259 /nfs/dbraw/zinc/02/32/59/454023259.db2.gz GVYJFISJGKWDJP-NSHDSACASA-N 0 0 339.417 3.481 10 5 EGBERN COc1cc(OC)c(CNc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000042791179 454025454 /nfs/dbraw/zinc/02/54/54/454025454.db2.gz WJHOCOCHTOPALV-UHFFFAOYSA-N 0 0 336.319 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000085638817 454035471 /nfs/dbraw/zinc/03/54/71/454035471.db2.gz BDIQWJOUONUHMS-OAHLLOKOSA-N 0 0 343.383 3.109 10 5 EGBERN CCCN(CCc1ccccn1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000068987311 454070646 /nfs/dbraw/zinc/07/06/46/454070646.db2.gz YLFQUIFKBINMLW-UHFFFAOYSA-N 0 0 343.383 3.093 10 5 EGBERN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000043835840 454080017 /nfs/dbraw/zinc/08/00/17/454080017.db2.gz PNBWEVXUMHISOM-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000044258268 454093534 /nfs/dbraw/zinc/09/35/34/454093534.db2.gz UMJQZIJODLYEQJ-OAHLLOKOSA-N 0 0 343.339 3.021 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088746025 454118584 /nfs/dbraw/zinc/11/85/84/454118584.db2.gz WWIYSTOPFZVRBR-NSHDSACASA-N 0 0 334.326 3.267 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000088795812 454121475 /nfs/dbraw/zinc/12/14/75/454121475.db2.gz LYWQPHWZRPJDOM-NSHDSACASA-N 0 0 338.360 3.082 10 5 EGBERN O=C(NCCc1ccc[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089345339 454140007 /nfs/dbraw/zinc/14/00/07/454140007.db2.gz NCQDESMSNFCSQU-UHFFFAOYSA-N 0 0 342.380 3.019 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1nc(-c2ccccc2)no1 ZINC000089641086 454171976 /nfs/dbraw/zinc/17/19/76/454171976.db2.gz MMNBQAVAUVRNLJ-NSHDSACASA-N 0 0 325.328 3.255 10 5 EGBERN O=c1c([N+](=O)[O-])c(NCC2CCCCCCC2)nc2ccccn21 ZINC000071811754 454222909 /nfs/dbraw/zinc/22/29/09/454222909.db2.gz KPLLUETYGAQBIA-UHFFFAOYSA-N 0 0 330.388 3.375 10 5 EGBERN CC(C)NC(=O)c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000078371685 454242464 /nfs/dbraw/zinc/24/24/64/454242464.db2.gz GFNXYYRGHLJDOP-HUUCEWRRSA-N 0 0 329.400 3.135 10 5 EGBERN COc1cc(N[C@@H](C)Cc2c(C)nn(C)c2C)c(F)cc1[N+](=O)[O-] ZINC000095982722 454249674 /nfs/dbraw/zinc/24/96/74/454249674.db2.gz RUGYQSINXRTGGP-VIFPVBQESA-N 0 0 336.367 3.136 10 5 EGBERN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058987379 454250504 /nfs/dbraw/zinc/25/05/04/454250504.db2.gz MLTYCCFYWKLHAS-QGZVFWFLSA-N 0 0 340.379 3.451 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000131629814 454271275 /nfs/dbraw/zinc/27/12/75/454271275.db2.gz KSQQNTYRYBBYLS-UHFFFAOYSA-N 0 0 344.396 3.237 10 5 EGBERN CNC(=O)c1ccc(NC[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000078579179 454279593 /nfs/dbraw/zinc/27/95/93/454279593.db2.gz IITIPFAKVRYSBK-JTQLQIEISA-N 0 0 349.337 3.448 10 5 EGBERN O=[N+]([O-])c1cnccc1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000060375348 454283291 /nfs/dbraw/zinc/28/32/91/454283291.db2.gz MRTBPYLBYGRWJV-UHFFFAOYSA-N 0 0 335.747 3.417 10 5 EGBERN COc1ccc(-c2noc([C@H](C)Oc3cccnc3[N+](=O)[O-])n2)cc1 ZINC000132038315 454308054 /nfs/dbraw/zinc/30/80/54/454308054.db2.gz FYTBFDPDFSZHPI-JTQLQIEISA-N 0 0 342.311 3.188 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000060921943 454319385 /nfs/dbraw/zinc/31/93/85/454319385.db2.gz WASQTLAKNBRSES-ZDUSSCGKSA-N 0 0 340.445 3.493 10 5 EGBERN CCOC[C@@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090685852 454335599 /nfs/dbraw/zinc/33/55/99/454335599.db2.gz UGODDUPLXUEWCH-CJNGLKHVSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@H](NC(=O)N(CC)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090689536 454336447 /nfs/dbraw/zinc/33/64/47/454336447.db2.gz JNFUOWWTGFAPPZ-HOTGVXAUSA-N 0 0 335.404 3.256 10 5 EGBERN O=[N+]([O-])c1sccc1N1CCC(c2nnc3ccccn32)CC1 ZINC000063256500 454399487 /nfs/dbraw/zinc/39/94/87/454399487.db2.gz RLKVTVTWLLISOW-UHFFFAOYSA-N 0 0 329.385 3.083 10 5 EGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)n1 ZINC000063263163 454400378 /nfs/dbraw/zinc/40/03/78/454400378.db2.gz MFHWZVNJNJHXPK-GFCCVEGCSA-N 0 0 346.412 3.215 10 5 EGBERN C[C@H](C(=O)N1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612488130 460640490 /nfs/dbraw/zinc/64/04/90/460640490.db2.gz YVHOZVBBBSCYFB-ONGXEEELSA-N 0 0 346.305 3.068 10 5 EGBERN CC[C@@H](NC(=O)Cc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC000612477854 460637636 /nfs/dbraw/zinc/63/76/36/460637636.db2.gz ATOCPNJLPVVDEI-GOSISDBHSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000133939227 454484070 /nfs/dbraw/zinc/48/40/70/454484070.db2.gz GHNBXHOPEYNIEM-QWRGUYRKSA-N 0 0 333.294 3.319 10 5 EGBERN CC[C@@H](NC(=O)N(C)CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000134101188 454503713 /nfs/dbraw/zinc/50/37/13/454503713.db2.gz PBBKJDUCNCMWLD-CQSZACIVSA-N 0 0 348.428 3.387 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000134112643 454505112 /nfs/dbraw/zinc/50/51/12/454505112.db2.gz BGJYDVNQIOCFJD-SJORKVTESA-N 0 0 346.427 3.334 10 5 EGBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000064819962 454510061 /nfs/dbraw/zinc/51/00/61/454510061.db2.gz APEJJOGYEXGOIU-QGZVFWFLSA-N 0 0 343.314 3.147 10 5 EGBERN Cc1cc(C[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000134423650 454540186 /nfs/dbraw/zinc/54/01/86/454540186.db2.gz RQRYDSGSRWROGY-QMMMGPOBSA-N 0 0 337.767 3.032 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1ccccn1 ZINC000103375599 454551108 /nfs/dbraw/zinc/55/11/08/454551108.db2.gz ATCZXVVJDVFSGE-LBPRGKRZSA-N 0 0 343.408 3.201 10 5 EGBERN Cc1noc(C)c1[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375226 454551260 /nfs/dbraw/zinc/55/12/60/454551260.db2.gz XZIJETNHYNYYKA-UWVGGRQHSA-N 0 0 329.356 3.281 10 5 EGBERN CC[C@H](NC(=O)NCc1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000134501651 454552220 /nfs/dbraw/zinc/55/22/20/454552220.db2.gz ZUKKFLFHIOIGTB-INIZCTEOSA-N 0 0 328.372 3.249 10 5 EGBERN COc1ccc([C@@H]2CCN(c3nc(OC)ccc3[N+](=O)[O-])C2)cc1 ZINC000080227222 454552677 /nfs/dbraw/zinc/55/26/77/454552677.db2.gz GLJVWCJKDUMDCV-CYBMUJFWSA-N 0 0 329.356 3.001 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000092685732 454610728 /nfs/dbraw/zinc/61/07/28/454610728.db2.gz IJGHFWTYUXNSFU-MRVPVSSYSA-N 0 0 326.303 3.271 10 5 EGBERN COc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000080645405 454611559 /nfs/dbraw/zinc/61/15/59/454611559.db2.gz GLAUIYTZOJXIML-HNNXBMFYSA-N 0 0 332.356 3.066 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000080660221 454614313 /nfs/dbraw/zinc/61/43/13/454614313.db2.gz DGUIYRZYQUHUKH-NSHDSACASA-N 0 0 332.404 3.135 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080659704 454614321 /nfs/dbraw/zinc/61/43/21/454614321.db2.gz DDFIPTQCPULSPG-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000065724766 454614900 /nfs/dbraw/zinc/61/49/00/454614900.db2.gz DAYSDSRSIREYQI-LBPRGKRZSA-N 0 0 344.415 3.275 10 5 EGBERN Cc1noc(COc2ccc(Oc3cc(C)c([N+](=O)[O-])cn3)cc2)n1 ZINC000074763724 454631405 /nfs/dbraw/zinc/63/14/05/454631405.db2.gz LVSBKWHKUQEMEY-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000092825913 454641900 /nfs/dbraw/zinc/64/19/00/454641900.db2.gz MYVQZJBKHAQZSD-NSHDSACASA-N 0 0 331.351 3.044 10 5 EGBERN COC(=O)c1cc(NC(=O)C2CCC(F)(F)CC2)cc([N+](=O)[O-])c1 ZINC000135184084 454643263 /nfs/dbraw/zinc/64/32/63/454643263.db2.gz GJMKFEBVZBZIHP-UHFFFAOYSA-N 0 0 342.298 3.145 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000105848438 454659398 /nfs/dbraw/zinc/65/93/98/454659398.db2.gz MJBPDPAVWTZDPR-OAHLLOKOSA-N 0 0 342.399 3.231 10 5 EGBERN CCCC(=O)N[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000080976406 454664422 /nfs/dbraw/zinc/66/44/22/454664422.db2.gz WWXQGPZDOWLCES-AWEZNQCLSA-N 0 0 342.399 3.028 10 5 EGBERN O=C(Nc1ccccc1OCc1cscn1)c1ccc([N+](=O)[O-])o1 ZINC000123786213 454674833 /nfs/dbraw/zinc/67/48/33/454674833.db2.gz PBIAMQKHAWXDMJ-UHFFFAOYSA-N 0 0 345.336 3.476 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000135424357 454675318 /nfs/dbraw/zinc/67/53/18/454675318.db2.gz FUJKWIVJQPZWON-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN COc1cccc(N2CC[C@@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC000124145330 454701387 /nfs/dbraw/zinc/70/13/87/454701387.db2.gz FRIVODVXXKAUHH-AWEZNQCLSA-N 0 0 342.399 3.245 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000106600545 454704742 /nfs/dbraw/zinc/70/47/42/454704742.db2.gz XCEALCRQZWRUSL-GJZGRUSLSA-N 0 0 342.351 3.354 10 5 EGBERN Cc1cn(-c2ccccc2)nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000106715377 454714678 /nfs/dbraw/zinc/71/46/78/454714678.db2.gz GFXYOVKVGOUSLV-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000106811074 454720849 /nfs/dbraw/zinc/72/08/49/454720849.db2.gz AIRLIGCLOOPSQD-AWEZNQCLSA-N 0 0 345.399 3.497 10 5 EGBERN Cc1cccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153032753 454753973 /nfs/dbraw/zinc/75/39/73/454753973.db2.gz LNRWAGMUXXYXMK-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN Cc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153284550 454778320 /nfs/dbraw/zinc/77/83/20/454778320.db2.gz JOIUTJXQMJTSGS-UHFFFAOYSA-N 0 0 339.395 3.208 10 5 EGBERN Cc1ccc(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000176765846 454779845 /nfs/dbraw/zinc/77/98/45/454779845.db2.gz COCBRFPACVYFEG-LBPRGKRZSA-N 0 0 349.387 3.099 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162657918 454791383 /nfs/dbraw/zinc/79/13/83/454791383.db2.gz LJQXZSRCVFSASF-UHFFFAOYSA-N 0 0 334.401 3.456 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000153473095 454796968 /nfs/dbraw/zinc/79/69/68/454796968.db2.gz BSRMRKRURQWPIA-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163129170 454825302 /nfs/dbraw/zinc/82/53/02/454825302.db2.gz PIWSVKGJSFBNGY-OAHLLOKOSA-N 0 0 343.387 3.105 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000163140379 454825835 /nfs/dbraw/zinc/82/58/35/454825835.db2.gz IYOGIDLPQLMVMK-AWEZNQCLSA-N 0 0 342.351 3.323 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177140824 454827405 /nfs/dbraw/zinc/82/74/05/454827405.db2.gz QFIHJRFOXWGEBK-CYBMUJFWSA-N 0 0 348.790 3.058 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1ccsc1 ZINC000125695252 454840652 /nfs/dbraw/zinc/84/06/52/454840652.db2.gz GMPRDVGZZZXKJR-JTQLQIEISA-N 0 0 340.426 3.275 10 5 EGBERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154130401 454868224 /nfs/dbraw/zinc/86/82/24/454868224.db2.gz APEHUFJPXRVOCK-QGZVFWFLSA-N 0 0 342.395 3.317 10 5 EGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCCC2 ZINC000150814422 454896670 /nfs/dbraw/zinc/89/66/70/454896670.db2.gz UNYQCXLBKINLJB-HOTGVXAUSA-N 0 0 347.415 3.108 10 5 EGBERN CC[C@H](NC(=O)c1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000127394139 454960758 /nfs/dbraw/zinc/96/07/58/454960758.db2.gz MYHHTVOVQGMYBN-HNNXBMFYSA-N 0 0 328.372 3.009 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1 ZINC000127503653 454971390 /nfs/dbraw/zinc/97/13/90/454971390.db2.gz JCRTZCFHGPRTNJ-UHFFFAOYSA-N 0 0 342.330 3.450 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155212260 454975777 /nfs/dbraw/zinc/97/57/77/454975777.db2.gz ZOAKINPHTLZMAL-INIZCTEOSA-N 0 0 347.415 3.001 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000127731047 454992318 /nfs/dbraw/zinc/99/23/18/454992318.db2.gz JEFXEXNKQBBBEA-HNNXBMFYSA-N 0 0 343.387 3.314 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nccs1 ZINC000115363429 455012755 /nfs/dbraw/zinc/01/27/55/455012755.db2.gz OAOAOUHICVIIRQ-ZDUSSCGKSA-N 0 0 347.396 3.184 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000171189525 455043402 /nfs/dbraw/zinc/04/34/02/455043402.db2.gz HQUIWYNFQLXTMH-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3ccc(F)c(F)c3)n2)c1=O ZINC000155795856 455046876 /nfs/dbraw/zinc/04/68/76/455046876.db2.gz MQLRGSPBHMXCTD-UHFFFAOYSA-N 0 0 347.277 3.046 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2c(Cl)ccc3cccnc32)c1=O ZINC000155828868 455050429 /nfs/dbraw/zinc/05/04/29/455050429.db2.gz APOOAJYWPLQJLB-UHFFFAOYSA-N 0 0 329.743 3.315 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152004391 455060870 /nfs/dbraw/zinc/06/08/70/455060870.db2.gz GMKWZEALTGEQBM-GFCCVEGCSA-N 0 0 344.367 3.060 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cccc(OCC(F)(F)F)c2)c1=O ZINC000155931542 455063994 /nfs/dbraw/zinc/06/39/94/455063994.db2.gz FLFKKCRRLHKLCR-UHFFFAOYSA-N 0 0 342.273 3.054 10 5 EGBERN CC(C)COCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600966026 460661011 /nfs/dbraw/zinc/66/10/11/460661011.db2.gz FSAJGIPYNYUPGI-UHFFFAOYSA-N 0 0 334.416 3.195 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000128886114 455089367 /nfs/dbraw/zinc/08/93/67/455089367.db2.gz ANUDICJVTTVOTL-WBMJQRKESA-N 0 0 340.379 3.452 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117635141 455090898 /nfs/dbraw/zinc/09/08/98/455090898.db2.gz CAXUYNRHTAVFHX-UHFFFAOYSA-N 0 0 346.770 3.389 10 5 EGBERN CC[C@@H](NC(=O)CC(C)(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000119062443 455123510 /nfs/dbraw/zinc/12/35/10/455123510.db2.gz BROYFKKSVHXJII-CQSZACIVSA-N 0 0 336.388 3.142 10 5 EGBERN CCOC(=O)CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000180483868 455179459 /nfs/dbraw/zinc/17/94/59/455179459.db2.gz AZUNEUDACFMNMM-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccnc(OC(C)C)c1 ZINC000157550079 455206680 /nfs/dbraw/zinc/20/66/80/455206680.db2.gz WFMGVSJOJZUBJN-UHFFFAOYSA-N 0 0 329.356 3.015 10 5 EGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCCCC1=O ZINC000190290841 455293227 /nfs/dbraw/zinc/29/32/27/455293227.db2.gz KQVCDKXICOFKLG-SNVBAGLBSA-N 0 0 343.330 3.009 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000173595718 455313100 /nfs/dbraw/zinc/31/31/00/455313100.db2.gz HBWPMKYJIWJXPH-ZDUSSCGKSA-N 0 0 348.334 3.218 10 5 EGBERN CCc1ccc(C(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000266849361 455462276 /nfs/dbraw/zinc/46/22/76/455462276.db2.gz BZCCNUDHGWLBLF-UHFFFAOYSA-N 0 0 334.416 3.434 10 5 EGBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191202029 455463485 /nfs/dbraw/zinc/46/34/85/455463485.db2.gz QCNQSEXYZFXEDO-YVLXSGLVSA-N 0 0 338.791 3.022 10 5 EGBERN CC(C)OCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182282856 455479744 /nfs/dbraw/zinc/47/97/44/455479744.db2.gz YGFZRSYHCFNGOW-UHFFFAOYSA-N 0 0 331.166 3.111 10 5 EGBERN O=C(C[C@@H]1CCCCO1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182306941 455485155 /nfs/dbraw/zinc/48/51/55/455485155.db2.gz MQTJTWDHJJOMNK-JTQLQIEISA-N 0 0 343.177 3.255 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000191454076 455486672 /nfs/dbraw/zinc/48/66/72/455486672.db2.gz SCVMCDIBQPHYGW-HDPALTEOSA-N 0 0 346.431 3.146 10 5 EGBERN CC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000185062824 455494509 /nfs/dbraw/zinc/49/45/09/455494509.db2.gz ZTVJSVBREJCWLY-LBPRGKRZSA-N 0 0 345.384 3.342 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000191633743 455505507 /nfs/dbraw/zinc/50/55/07/455505507.db2.gz FAEAAFAVQXTSTP-UHFFFAOYSA-N 0 0 342.277 3.168 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2c(F)cccc2Cl)n1 ZINC000191652930 455507401 /nfs/dbraw/zinc/50/74/01/455507401.db2.gz UCPDYEJHRIEXRQ-MRVPVSSYSA-N 0 0 340.742 3.095 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000191685353 455510191 /nfs/dbraw/zinc/51/01/91/455510191.db2.gz BRGSTAZXVVRBRM-MRXNPFEDSA-N 0 0 342.399 3.255 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000191697688 455511207 /nfs/dbraw/zinc/51/12/07/455511207.db2.gz JAOKYGNFFQGTSY-WCQYABFASA-N 0 0 347.396 3.016 10 5 EGBERN CC[C@H](NC(=O)NCC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000267307389 455536381 /nfs/dbraw/zinc/53/63/81/455536381.db2.gz BNUFEVFOHBTGSL-INIZCTEOSA-N 0 0 349.431 3.288 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000247037258 455549363 /nfs/dbraw/zinc/54/93/63/455549363.db2.gz NKQRCEOGANLGPM-CDMJZVDBSA-N 0 0 332.356 3.131 10 5 EGBERN C[C@H](C(=O)NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000185530405 455574029 /nfs/dbraw/zinc/57/40/29/455574029.db2.gz NQVCDTGIIWXVJD-VIFPVBQESA-N 0 0 337.738 3.202 10 5 EGBERN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000271369173 455613637 /nfs/dbraw/zinc/61/36/37/455613637.db2.gz ZCIDTIKYCRQTKG-SSDOTTSWSA-N 0 0 332.428 3.294 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248392404 455712795 /nfs/dbraw/zinc/71/27/95/455712795.db2.gz KPEQAEDSHYISBB-KBAYOESNSA-N 0 0 346.427 3.334 10 5 EGBERN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248517085 455717485 /nfs/dbraw/zinc/71/74/85/455717485.db2.gz HOBZSYNVSWVWOI-XYPHTWIQSA-N 0 0 348.399 3.081 10 5 EGBERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282565 455750503 /nfs/dbraw/zinc/75/05/03/455750503.db2.gz XJDUSDQBCQFURQ-CHWSQXEVSA-N 0 0 331.372 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2CC2)cc1 ZINC000292763342 455751441 /nfs/dbraw/zinc/75/14/41/455751441.db2.gz OJYKJMMAHDLSEU-UHFFFAOYSA-N 0 0 327.369 3.362 10 5 EGBERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)cs1 ZINC000186467729 455774347 /nfs/dbraw/zinc/77/43/47/455774347.db2.gz NENFMYBUMPBXIL-HNNXBMFYSA-N 0 0 346.412 3.406 10 5 EGBERN CC[C@H](CCO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278234527 455793285 /nfs/dbraw/zinc/79/32/85/455793285.db2.gz UGKIEUTVAKPGKX-CYBMUJFWSA-N 0 0 338.407 3.232 10 5 EGBERN Cn1cc([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cn1 ZINC000278277117 455803999 /nfs/dbraw/zinc/80/39/99/455803999.db2.gz YJSWTFLVDGJELE-GFCCVEGCSA-N 0 0 348.712 3.375 10 5 EGBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000194145045 455808085 /nfs/dbraw/zinc/80/80/85/455808085.db2.gz WKTWPGIOANDHGN-JTQLQIEISA-N 0 0 335.310 3.162 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000186667668 455815447 /nfs/dbraw/zinc/81/54/47/455815447.db2.gz IEZSOTHQZKRKIE-DOTOQJQBSA-N 0 0 336.432 3.029 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 ZINC000194775905 455881320 /nfs/dbraw/zinc/88/13/20/455881320.db2.gz CYICHYWMQCGBQO-LLVKDONJSA-N 0 0 344.371 3.435 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296232606 455886759 /nfs/dbraw/zinc/88/67/59/455886759.db2.gz VYFMXEBYPFMOJL-CMPLNLGQSA-N 0 0 330.306 3.327 10 5 EGBERN CC1(C)CCCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280230857 455923284 /nfs/dbraw/zinc/92/32/84/455923284.db2.gz XOJNSUTUHAXPHV-LBPRGKRZSA-N 0 0 330.388 3.304 10 5 EGBERN Cc1cc(OCc2c(Br)cnn2C)c(F)cc1[N+](=O)[O-] ZINC000601081255 460701908 /nfs/dbraw/zinc/70/19/08/460701908.db2.gz NBMJMZAMAQXRCM-UHFFFAOYSA-N 0 0 344.140 3.117 10 5 EGBERN COC(=O)C(C)(C)CSCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000601086591 460704032 /nfs/dbraw/zinc/70/40/32/460704032.db2.gz LAOSFLKLLFXFDV-UHFFFAOYSA-N 0 0 331.365 3.175 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000198655051 456010066 /nfs/dbraw/zinc/01/00/66/456010066.db2.gz KBCZLQGUVKLPEZ-ZDUSSCGKSA-N 0 0 346.339 3.182 10 5 EGBERN O=c1[nH]c(NC[C@@H]2CCCC(F)(F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000286344364 456029147 /nfs/dbraw/zinc/02/91/47/456029147.db2.gz GXWCXZCLRHIGJC-SECBINFHSA-N 0 0 338.314 3.481 10 5 EGBERN CN1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800791 456042629 /nfs/dbraw/zinc/04/26/29/456042629.db2.gz UGIUXMTYQHPJRH-UKRRQHHQSA-N 0 0 334.326 3.125 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1c1ccccn1 ZINC000601106276 460711554 /nfs/dbraw/zinc/71/15/54/460711554.db2.gz OPMDOHWHTGAFAD-SNVBAGLBSA-N 0 0 341.293 3.084 10 5 EGBERN Cc1c(NC(=O)COC(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280764433 456047629 /nfs/dbraw/zinc/04/76/29/456047629.db2.gz QYHSGNXVFIHXHY-UHFFFAOYSA-N 0 0 345.193 3.419 10 5 EGBERN COc1ccc(F)cc1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000188368599 456051432 /nfs/dbraw/zinc/05/14/32/456051432.db2.gz DTVYLALMMOBZQH-UHFFFAOYSA-N 0 0 333.319 3.373 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3c(F)cccc3F)C2)nc1 ZINC000301259570 456074059 /nfs/dbraw/zinc/07/40/59/456074059.db2.gz OGHTWGCWQWHBPI-LBPRGKRZSA-N 0 0 348.353 3.345 10 5 EGBERN CC(=O)Nc1cccc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000301267011 456075712 /nfs/dbraw/zinc/07/57/12/456075712.db2.gz IETYLHGVEROMGS-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2c1C ZINC000225398508 456079768 /nfs/dbraw/zinc/07/97/68/456079768.db2.gz SQHWLAJNHDFJFR-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN3CCCC[C@@H]3C2)c(Br)c1 ZINC000301381084 456102698 /nfs/dbraw/zinc/10/26/98/456102698.db2.gz UMGXMYMLYJPCIK-GFCCVEGCSA-N 0 0 340.221 3.032 10 5 EGBERN CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301435173 456115249 /nfs/dbraw/zinc/11/52/49/456115249.db2.gz KCNIAZMBSGOMRN-BXUZGUMPSA-N 0 0 328.372 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000301590518 456154821 /nfs/dbraw/zinc/15/48/21/456154821.db2.gz YQQFOLCOINZTPX-INIZCTEOSA-N 0 0 325.368 3.145 10 5 EGBERN CS[C@H]1CCC[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601118013 460717321 /nfs/dbraw/zinc/71/73/21/460717321.db2.gz CXOAOTSSCIXFOV-YUMQZZPRSA-N 0 0 338.355 3.433 10 5 EGBERN CCc1cnc(CN(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601123794 460718288 /nfs/dbraw/zinc/71/82/88/460718288.db2.gz JTFVEFHSTNNIQL-UHFFFAOYSA-N 0 0 349.338 3.002 10 5 EGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000301820682 456224602 /nfs/dbraw/zinc/22/46/02/456224602.db2.gz BDCLTISXVCHYIY-ZDUSSCGKSA-N 0 0 336.355 3.116 10 5 EGBERN COC(=O)CC1(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000189153820 456241729 /nfs/dbraw/zinc/24/17/29/456241729.db2.gz PNKJUIGQOLHATP-ZDUSSCGKSA-N 0 0 348.399 3.286 10 5 EGBERN COC(=O)c1cc(NCc2cc(F)cc(OC)c2)cc(C)c1[N+](=O)[O-] ZINC000301923516 456252194 /nfs/dbraw/zinc/25/21/94/456252194.db2.gz FTERSVOZWWXSCG-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000297616320 456264674 /nfs/dbraw/zinc/26/46/74/456264674.db2.gz BRBSFHUABOJUAM-LLVKDONJSA-N 0 0 346.305 3.253 10 5 EGBERN COc1ccc([C@H](OC)[C@@H](C)Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601136222 460726115 /nfs/dbraw/zinc/72/61/15/460726115.db2.gz AZGSRYXKWPTKLK-MEBBXXQBSA-N 0 0 335.335 3.326 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000275737520 456300889 /nfs/dbraw/zinc/30/08/89/456300889.db2.gz BMWSSTWGAPMKPZ-ZDUSSCGKSA-N 0 0 340.807 3.444 10 5 EGBERN COc1cc(CN2C[C@H](C)C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000352784083 456303580 /nfs/dbraw/zinc/30/35/80/456303580.db2.gz MUDWXHOUMBIVKH-LBPRGKRZSA-N 0 0 341.367 3.198 10 5 EGBERN COC(=O)c1ccc(CNc2c(F)cccc2[N+](=O)[O-])nc1C1CC1 ZINC000342930532 456321116 /nfs/dbraw/zinc/32/11/16/456321116.db2.gz HOGYPKLLJIPNCL-UHFFFAOYSA-N 0 0 345.330 3.405 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000275864734 456335849 /nfs/dbraw/zinc/33/58/49/456335849.db2.gz NUBUNUXBAFKMCD-VIFPVBQESA-N 0 0 342.779 3.017 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3ncc(F)cc3[N+](=O)[O-])ccc21 ZINC000601142409 460728898 /nfs/dbraw/zinc/72/88/98/460728898.db2.gz QGHCDBHMUJMYDM-UHFFFAOYSA-N 0 0 330.319 3.172 10 5 EGBERN CC1(C)CCC[C@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302467430 456346768 /nfs/dbraw/zinc/34/67/68/456346768.db2.gz BSRBUEJHPGXIAZ-GOSISDBHSA-N 0 0 347.415 3.223 10 5 EGBERN O=[N+]([O-])c1cccnc1NCCN1CCc2c(Cl)cccc2C1 ZINC000302622352 456365768 /nfs/dbraw/zinc/36/57/68/456365768.db2.gz DTMTUMLFZSVUDT-UHFFFAOYSA-N 0 0 332.791 3.113 10 5 EGBERN COC(=O)[C@](C)(CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000302751416 456391375 /nfs/dbraw/zinc/39/13/75/456391375.db2.gz HETBRBGFHQSWED-MRXNPFEDSA-N 0 0 349.774 3.186 10 5 EGBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000302786756 456400549 /nfs/dbraw/zinc/40/05/49/456400549.db2.gz WHQHBPNCJOKTDR-UGFHNGPFSA-N 0 0 326.780 3.021 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000347848358 456403022 /nfs/dbraw/zinc/40/30/22/456403022.db2.gz NKEQTRJDNIANSJ-KCJUWKMLSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccn(Cc3ccccc3)n2)n1 ZINC000343138970 456428611 /nfs/dbraw/zinc/42/86/11/456428611.db2.gz IWFJHMKBVPPOOH-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccccc1Br)CC2 ZINC000353031392 456450182 /nfs/dbraw/zinc/45/01/82/456450182.db2.gz FBCMPISVNVFSDB-UHFFFAOYSA-N 0 0 348.200 3.311 10 5 EGBERN Cc1cc(OCC(=O)Nc2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000348120862 456497753 /nfs/dbraw/zinc/49/77/53/456497753.db2.gz IYXZQUFXMSJSPZ-UHFFFAOYSA-N 0 0 340.257 3.338 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccn(C2CCCCC2)n1 ZINC000348132252 456506368 /nfs/dbraw/zinc/50/63/68/456506368.db2.gz IXNHEWWGKRWUHQ-UHFFFAOYSA-N 0 0 328.372 3.227 10 5 EGBERN CC(C)NC(=O)c1ccc(NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000343378055 456574244 /nfs/dbraw/zinc/57/42/44/456574244.db2.gz UBDDGZCHUGGEFS-UHFFFAOYSA-N 0 0 345.321 3.487 10 5 EGBERN COc1nn(C)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353230827 456575547 /nfs/dbraw/zinc/57/55/47/456575547.db2.gz IENWSMWLDWSWLD-UHFFFAOYSA-N 0 0 328.328 3.209 10 5 EGBERN CCc1cccc(CC)c1NC(=O)[C@@H](C)n1cc(C)c([N+](=O)[O-])n1 ZINC000337933241 456607456 /nfs/dbraw/zinc/60/74/56/456607456.db2.gz FLXCYOLNSQLQDJ-GFCCVEGCSA-N 0 0 330.388 3.424 10 5 EGBERN CCOc1cc(CN2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000276985988 456641692 /nfs/dbraw/zinc/64/16/92/456641692.db2.gz ZDLOLSKQKLQCLN-UHFFFAOYSA-N 0 0 341.367 3.342 10 5 EGBERN CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000338190304 456694521 /nfs/dbraw/zinc/69/45/21/456694521.db2.gz IFUCQSPRXDYUDN-UHFFFAOYSA-N 0 0 325.368 3.299 10 5 EGBERN CCn1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299548365 456725569 /nfs/dbraw/zinc/72/55/69/456725569.db2.gz BJTMVKSYRLKMSG-LLVKDONJSA-N 0 0 335.795 3.244 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000299623983 456747470 /nfs/dbraw/zinc/74/74/70/456747470.db2.gz RACNLKZKTRCNRM-AWEZNQCLSA-N 0 0 345.378 3.393 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCC1(F)CCC1 ZINC000340913484 456756953 /nfs/dbraw/zinc/75/69/53/456756953.db2.gz MOOQLBMJCJEKEV-UHFFFAOYSA-N 0 0 337.395 3.121 10 5 EGBERN Cc1coc(C)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000343767603 456772397 /nfs/dbraw/zinc/77/23/97/456772397.db2.gz OEXOJPGWWUEHAE-UHFFFAOYSA-N 0 0 325.324 3.335 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277454407 456830269 /nfs/dbraw/zinc/83/02/69/456830269.db2.gz NNMOEELMXMYWNM-LLVKDONJSA-N 0 0 345.321 3.121 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000338489109 456832281 /nfs/dbraw/zinc/83/22/81/456832281.db2.gz IKUCOKKFLASWTD-LBPRGKRZSA-N 0 0 349.437 3.342 10 5 EGBERN Cn1cc(-c2cc(CNC(C)(C)c3ccccc3[N+](=O)[O-])on2)cn1 ZINC000292198217 456881546 /nfs/dbraw/zinc/88/15/46/456881546.db2.gz RZJVPPHAPZKMQV-UHFFFAOYSA-N 0 0 341.371 3.008 10 5 EGBERN Cc1cc(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000345090329 456922327 /nfs/dbraw/zinc/92/23/27/456922327.db2.gz IESQTRIONSDHTE-JTQLQIEISA-N 0 0 348.790 3.398 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000339065541 456924583 /nfs/dbraw/zinc/92/45/83/456924583.db2.gz GQFPFISBBIHTOK-RDTXWAMCSA-N 0 0 328.368 3.168 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC3(CCC3)C[C@@H]2C)c1 ZINC000345531967 456982388 /nfs/dbraw/zinc/98/23/88/456982388.db2.gz PCRIVRGDBIFAMA-AWEZNQCLSA-N 0 0 332.400 3.463 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)CC1 ZINC000356469383 457005773 /nfs/dbraw/zinc/00/57/73/457005773.db2.gz YGRHKWZSQUASLM-UHFFFAOYSA-N 0 0 349.456 3.017 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356487480 457016707 /nfs/dbraw/zinc/01/67/07/457016707.db2.gz VXHROYWUQXOEDU-FUHWJXTLSA-N 0 0 344.342 3.203 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000346456661 457043889 /nfs/dbraw/zinc/04/38/89/457043889.db2.gz UYMDKSMOIDRQKK-HIFRSBDPSA-N 0 0 349.431 3.144 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000354072562 457044696 /nfs/dbraw/zinc/04/46/96/457044696.db2.gz IYXVIIMSXGVQCV-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330745622 457080313 /nfs/dbraw/zinc/08/03/13/457080313.db2.gz VXBCSCYKKZXWCM-JTQLQIEISA-N 0 0 325.752 3.168 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2nc(C)cs2)c1[N+](=O)[O-] ZINC000342069069 457088930 /nfs/dbraw/zinc/08/89/30/457088930.db2.gz XIVUXYCDEQWTOE-VIFPVBQESA-N 0 0 336.373 3.023 10 5 EGBERN C[C@@H](F)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000356674779 457114054 /nfs/dbraw/zinc/11/40/54/457114054.db2.gz FSRRVLHOMFWAGC-CHWSQXEVSA-N 0 0 337.395 3.309 10 5 EGBERN CCc1ccc(C(=O)Nc2nc3cccnc3n2CC)cc1[N+](=O)[O-] ZINC000349992916 457135838 /nfs/dbraw/zinc/13/58/38/457135838.db2.gz KUIBBNQMVUZFIP-UHFFFAOYSA-N 0 0 339.355 3.174 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000356870388 457187727 /nfs/dbraw/zinc/18/77/27/457187727.db2.gz OIAALMLIARAMMC-JTQLQIEISA-N 0 0 345.302 3.393 10 5 EGBERN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000342306173 457227725 /nfs/dbraw/zinc/22/77/25/457227725.db2.gz FSQKAVDLQKLLST-MRXNPFEDSA-N 0 0 334.347 3.220 10 5 EGBERN CNC(=O)C[C@H](Nc1cc(C)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000360090245 457249913 /nfs/dbraw/zinc/24/99/13/457249913.db2.gz OMCIQCNHYPFGCS-AWEZNQCLSA-N 0 0 331.347 3.332 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCCc1csc(N2CCCC2)n1 ZINC000342362188 457256121 /nfs/dbraw/zinc/25/61/21/457256121.db2.gz QEJXQVCHCFTFKO-UHFFFAOYSA-N 0 0 336.392 3.445 10 5 EGBERN Cc1ccncc1CN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000360109909 457260238 /nfs/dbraw/zinc/26/02/38/457260238.db2.gz ZWPVWLZBRPWOEZ-UHFFFAOYSA-N 0 0 337.177 3.092 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000354519219 457268137 /nfs/dbraw/zinc/26/81/37/457268137.db2.gz DOHNUHLKLQADGT-VXGBXAGGSA-N 0 0 330.306 3.232 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnc(SC)c2)c1 ZINC000360143508 457273537 /nfs/dbraw/zinc/27/35/37/457273537.db2.gz JAAHWDSTJAUYJL-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN COCc1cccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000360159360 457281415 /nfs/dbraw/zinc/28/14/15/457281415.db2.gz XUMNHBTZSWITBM-UHFFFAOYSA-N 0 0 330.340 3.140 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCCOCCOc1ccccc1 ZINC000340098405 457332590 /nfs/dbraw/zinc/33/25/90/457332590.db2.gz BEWVEKJQRCDUTC-UHFFFAOYSA-N 0 0 345.351 3.272 10 5 EGBERN COC(=O)c1cc(NCc2ccc(OC)c(O)c2)cc(C)c1[N+](=O)[O-] ZINC000357193782 457368523 /nfs/dbraw/zinc/36/85/23/457368523.db2.gz YLFXKVINPGVHFN-UHFFFAOYSA-N 0 0 346.339 3.016 10 5 EGBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000425031387 457411444 /nfs/dbraw/zinc/41/14/44/457411444.db2.gz SOOZUCNGPSEUSR-GOSISDBHSA-N 0 0 348.399 3.097 10 5 EGBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000425031388 457411490 /nfs/dbraw/zinc/41/14/90/457411490.db2.gz SOOZUCNGPSEUSR-SFHVURJKSA-N 0 0 348.399 3.097 10 5 EGBERN Cc1cccc([C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C(C)C)c1 ZINC000347427887 457420765 /nfs/dbraw/zinc/42/07/65/457420765.db2.gz YMHZWQIOMROIMR-CQSZACIVSA-N 0 0 341.371 3.475 10 5 EGBERN Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975191 457423899 /nfs/dbraw/zinc/42/38/99/457423899.db2.gz GYIKEXKZJVIZNE-RLFYNMQTSA-N 0 0 334.416 3.062 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC(CC(F)F)C2)cc1SC ZINC000425072351 457429580 /nfs/dbraw/zinc/42/95/80/457429580.db2.gz BDIAJGAYYSSGTR-UHFFFAOYSA-N 0 0 346.355 3.053 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425077272 457430706 /nfs/dbraw/zinc/43/07/06/457430706.db2.gz QWILSGBNIUKWPG-UHFFFAOYSA-N 0 0 338.232 3.341 10 5 EGBERN CC(C)Cc1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000352524768 457438898 /nfs/dbraw/zinc/43/88/98/457438898.db2.gz SLZQXUQHNXMVFO-UHFFFAOYSA-N 0 0 339.355 3.317 10 5 EGBERN COc1cc(CN2CCOC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352540107 457450542 /nfs/dbraw/zinc/45/05/42/457450542.db2.gz HEJDSYQJQBKOHS-QGZVFWFLSA-N 0 0 328.368 3.177 10 5 EGBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342680312 457451900 /nfs/dbraw/zinc/45/19/00/457451900.db2.gz OUTGNQUPWMGNAY-SJCJKPOMSA-N 0 0 335.404 3.294 10 5 EGBERN O=C(c1cccc(O)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357372242 457477439 /nfs/dbraw/zinc/47/74/39/457477439.db2.gz LVKHGYIIZHWSLO-INIZCTEOSA-N 0 0 330.365 3.188 10 5 EGBERN CN1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000425269816 457478114 /nfs/dbraw/zinc/47/81/14/457478114.db2.gz ULEDWSWYFQHJGY-LBPRGKRZSA-N 0 0 335.404 3.052 10 5 EGBERN Cc1cc(C)n([C@@H](C)c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)n1 ZINC000357383052 457483508 /nfs/dbraw/zinc/48/35/08/457483508.db2.gz FUIYNAVICOCCRH-ZDUSSCGKSA-N 0 0 341.371 3.300 10 5 EGBERN O=[N+]([O-])c1cnccc1Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000360996798 457498874 /nfs/dbraw/zinc/49/88/74/457498874.db2.gz UBOYYCJZRUKYIL-UHFFFAOYSA-N 0 0 339.380 3.415 10 5 EGBERN Cc1ccc(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000370051572 457518792 /nfs/dbraw/zinc/51/87/92/457518792.db2.gz WYHMGUSCQGCLDB-UHFFFAOYSA-N 0 0 339.395 3.247 10 5 EGBERN COc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC000361027112 457523792 /nfs/dbraw/zinc/52/37/92/457523792.db2.gz KLOWBGWVLKMPKM-UHFFFAOYSA-N 0 0 339.307 3.110 10 5 EGBERN COc1ccc(C[C@@H](C)CNc2ccc([N+](=O)[O-])nc2)cc1OC ZINC000342781982 457524372 /nfs/dbraw/zinc/52/43/72/457524372.db2.gz RMHFITVVMROBFQ-GFCCVEGCSA-N 0 0 331.372 3.298 10 5 EGBERN CNc1ccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000404753652 457547039 /nfs/dbraw/zinc/54/70/39/457547039.db2.gz YWGQBSYBGSEMNK-ZDUSSCGKSA-N 0 0 339.395 3.439 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]2COCC[C@H]21 ZINC000408001043 457558417 /nfs/dbraw/zinc/55/84/17/457558417.db2.gz MEIUQYXAGGBQBY-BXUZGUMPSA-N 0 0 346.408 3.451 10 5 EGBERN CCOc1ccccc1[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000342861877 457564074 /nfs/dbraw/zinc/56/40/74/457564074.db2.gz OSALLFCSSJIXAJ-CYBMUJFWSA-N 0 0 344.367 3.250 10 5 EGBERN COc1ccnc(N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000425603137 457609375 /nfs/dbraw/zinc/60/93/75/457609375.db2.gz CQDMBDQAZHGMRW-NSHDSACASA-N 0 0 347.396 3.142 10 5 EGBERN Cc1cc(F)cc2c1CN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000409657335 457611694 /nfs/dbraw/zinc/61/16/94/457611694.db2.gz OLCBQBMEKNCEJE-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1Cl ZINC000374521143 457648090 /nfs/dbraw/zinc/64/80/90/457648090.db2.gz OOZBNRFQNHHPCP-YOGCLGLASA-N 0 0 347.806 3.292 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000374696163 457688590 /nfs/dbraw/zinc/68/85/90/457688590.db2.gz IXFDVFREUUDWJD-ZDUSSCGKSA-N 0 0 345.786 3.348 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000374815751 457712097 /nfs/dbraw/zinc/71/20/97/457712097.db2.gz DJZVBLAUJLUHKE-CQSZACIVSA-N 0 0 345.359 3.435 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@H](O)C(F)(F)F ZINC000357887071 457724730 /nfs/dbraw/zinc/72/47/30/457724730.db2.gz BYLOMIWUAGAOCK-VIFPVBQESA-N 0 0 343.099 3.083 10 5 EGBERN CC(C)(C(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000433269114 457795764 /nfs/dbraw/zinc/79/57/64/457795764.db2.gz HEAOBCNETFQWCC-WMLDXEAASA-N 0 0 348.443 3.320 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3-c2ccccc2)n1 ZINC000375122996 457801411 /nfs/dbraw/zinc/80/14/11/457801411.db2.gz FIKJCLRSHOUJPD-UHFFFAOYSA-N 0 0 348.362 3.198 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000358129981 457804336 /nfs/dbraw/zinc/80/43/36/457804336.db2.gz VFMBCKPTVHVREN-TZMCWYRMSA-N 0 0 346.362 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000375176149 457820167 /nfs/dbraw/zinc/82/01/67/457820167.db2.gz NQSGOLIAOOPJQB-MRXNPFEDSA-N 0 0 342.399 3.488 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000366559555 457852015 /nfs/dbraw/zinc/85/20/15/457852015.db2.gz RAZAQJAAPSXDQW-WKOYGUFESA-N 0 0 344.411 3.273 10 5 EGBERN O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366565546 457853943 /nfs/dbraw/zinc/85/39/43/457853943.db2.gz GPAZXVHCGZEFBP-JSGCOSHPSA-N 0 0 329.331 3.195 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000361968636 457983595 /nfs/dbraw/zinc/98/35/95/457983595.db2.gz NEFXPHDGGPGCRI-UHFFFAOYSA-N 0 0 339.395 3.329 10 5 EGBERN COc1cc(CN2Cc3ccc(C(C)=O)cc3C2)ccc1[N+](=O)[O-] ZINC000411951683 458021453 /nfs/dbraw/zinc/02/14/53/458021453.db2.gz UOGSYRASEVEDOV-UHFFFAOYSA-N 0 0 326.352 3.322 10 5 EGBERN COCC1=CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445208509 458026670 /nfs/dbraw/zinc/02/66/70/458026670.db2.gz CCAOAZAUCODRCQ-UHFFFAOYSA-N 0 0 348.402 3.100 10 5 EGBERN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000427963410 458057550 /nfs/dbraw/zinc/05/75/50/458057550.db2.gz ISOPVGXTCNHZJA-CYBMUJFWSA-N 0 0 325.368 3.417 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000428077509 458075391 /nfs/dbraw/zinc/07/53/91/458075391.db2.gz FUBLRCMNLPNWQN-WDAIWFPHSA-N 0 0 326.805 3.255 10 5 EGBERN C[C@H](NC(=O)NC[C@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000458611419 458110244 /nfs/dbraw/zinc/11/02/44/458110244.db2.gz DSRMZYSCFDIXPD-DZGCQCFKSA-N 0 0 349.431 3.144 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000446106234 458148946 /nfs/dbraw/zinc/14/89/46/458148946.db2.gz ZUWOGRPJQRGWDY-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000446113234 458150401 /nfs/dbraw/zinc/15/04/01/458150401.db2.gz UAFAKPKMGHBUFD-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN COc1cccc([C@H]2C[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358707807 458162533 /nfs/dbraw/zinc/16/25/33/458162533.db2.gz WQGQYQWNFPBSSH-QZTJIDSGSA-N 0 0 340.379 3.066 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1CC1CCC1 ZINC000412373790 458185501 /nfs/dbraw/zinc/18/55/01/458185501.db2.gz VTNCEWZUGBDKMI-OKZBNKHCSA-N 0 0 344.411 3.116 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000412387976 458189582 /nfs/dbraw/zinc/18/95/82/458189582.db2.gz NZBZYWFHLIDDAO-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000435999264 458235414 /nfs/dbraw/zinc/23/54/14/458235414.db2.gz XSRUHICGZLHTPI-KOLCDFICSA-N 0 0 346.305 3.406 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459077026 458261237 /nfs/dbraw/zinc/26/12/37/458261237.db2.gz DFNCUMSLXVTKPR-YOEHRIQHSA-N 0 0 329.400 3.315 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccncc1 ZINC000362548105 458261323 /nfs/dbraw/zinc/26/13/23/458261323.db2.gz PNYUUCAVDHLICD-MRXNPFEDSA-N 0 0 347.321 3.174 10 5 EGBERN COc1cc(CNc2ccc3ccc(=O)n(C)c3c2)ccc1[N+](=O)[O-] ZINC000447408694 458294205 /nfs/dbraw/zinc/29/42/05/458294205.db2.gz HSXKZCHBKOLPNY-UHFFFAOYSA-N 0 0 339.351 3.067 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436358408 458294668 /nfs/dbraw/zinc/29/46/68/458294668.db2.gz AQHWRABYEWAQFC-ANRSDYALSA-N 0 0 328.318 3.098 10 5 EGBERN COC[C@H](Cc1ccccc1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685891 458329703 /nfs/dbraw/zinc/32/97/03/458329703.db2.gz BYLSBQLAXAGZEX-HNNXBMFYSA-N 0 0 340.383 3.165 10 5 EGBERN COc1c2ccccc2oc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447687521 458330185 /nfs/dbraw/zinc/33/01/85/458330185.db2.gz UTKGBHIKMFDFHO-UHFFFAOYSA-N 0 0 338.323 3.260 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C(=O)NC(C)C ZINC000429796489 458372161 /nfs/dbraw/zinc/37/21/61/458372161.db2.gz WRULIFAPRDWAOW-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN CCCc1n[nH]c(C(=O)N(C)Cc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000430186134 458417348 /nfs/dbraw/zinc/41/73/48/458417348.db2.gz JVJAALOIOIVETA-UHFFFAOYSA-N 0 0 330.388 3.159 10 5 EGBERN CCN(CC1CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460208156 458505326 /nfs/dbraw/zinc/50/53/26/458505326.db2.gz ACFJRJLWHGRHNM-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CC[C@@H]1C[C@H]1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000438106783 458534359 /nfs/dbraw/zinc/53/43/59/458534359.db2.gz HDYZZPQQJPGMHK-GZBFAFLISA-N 0 0 331.416 3.359 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000438153379 458542509 /nfs/dbraw/zinc/54/25/09/458542509.db2.gz JUKNTFKEVWHSEE-PEBVRCNWSA-N 0 0 326.352 3.278 10 5 EGBERN Cc1c(NC(=O)C[C@@H]2CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000431247104 458547016 /nfs/dbraw/zinc/54/70/16/458547016.db2.gz MWNONAYUJZPNHT-VIFPVBQESA-N 0 0 343.177 3.031 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)[C@H](C)O1 ZINC000438389075 458573420 /nfs/dbraw/zinc/57/34/20/458573420.db2.gz DKDSTVAWAYLNNV-MXWKQRLJSA-N 0 0 334.397 3.447 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)[C@H](C)O1 ZINC000438389079 458573769 /nfs/dbraw/zinc/57/37/69/458573769.db2.gz DKDSTVAWAYLNNV-VWYCJHECSA-N 0 0 334.397 3.447 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431482172 458579045 /nfs/dbraw/zinc/57/90/45/458579045.db2.gz FMOKLSXAJNOIAU-JTQLQIEISA-N 0 0 341.205 3.475 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000438594851 458603567 /nfs/dbraw/zinc/60/35/67/458603567.db2.gz DTACWCUOBIFHMW-SNVBAGLBSA-N 0 0 341.323 3.236 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000462498779 458626345 /nfs/dbraw/zinc/62/63/45/458626345.db2.gz GJEQJPJRAUSDQT-KGLIPLIRSA-N 0 0 338.429 3.150 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000438933564 458631080 /nfs/dbraw/zinc/63/10/80/458631080.db2.gz FAVHCWUSRHSOQG-QWRGUYRKSA-N 0 0 326.780 3.102 10 5 EGBERN COc1ccc(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1 ZINC000438941103 458631916 /nfs/dbraw/zinc/63/19/16/458631916.db2.gz KRQFGSVWHMMEER-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN CCCc1ncc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000456511447 458699625 /nfs/dbraw/zinc/69/96/25/458699625.db2.gz WUCRVDRSNKDZHA-UHFFFAOYSA-N 0 0 337.763 3.048 10 5 EGBERN Cn1cc(N2CCC[C@H](Nc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000432311048 458712837 /nfs/dbraw/zinc/71/28/37/458712837.db2.gz BWYNGFYADUEUGB-NSHDSACASA-N 0 0 335.795 3.063 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000432636339 458765149 /nfs/dbraw/zinc/76/51/49/458765149.db2.gz XSPHAOINBZSTPG-CYBMUJFWSA-N 0 0 327.384 3.341 10 5 EGBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O ZINC000530856140 458835970 /nfs/dbraw/zinc/83/59/70/458835970.db2.gz XYUYSOHMLDWNCV-JQEORGNBSA-N 0 0 343.305 3.035 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000531454110 458920167 /nfs/dbraw/zinc/92/01/67/458920167.db2.gz HORGDCQRHBFLKG-OAHLLOKOSA-N 0 0 331.347 3.440 10 5 EGBERN CCCN(C(=O)C(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441432648 458941257 /nfs/dbraw/zinc/94/12/57/458941257.db2.gz YFZYQXYDWXBZDW-UHFFFAOYSA-N 0 0 330.315 3.360 10 5 EGBERN O=C(NCCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633929 458949143 /nfs/dbraw/zinc/94/91/43/458949143.db2.gz YGKJBTUGDYEMSW-UHFFFAOYSA-N 0 0 337.788 3.165 10 5 EGBERN COc1c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476303383 458993783 /nfs/dbraw/zinc/99/37/83/458993783.db2.gz UEURBGMHEDLOLM-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN COC(=O)c1cc(N[C@@H](CO)c2ccccc2C)cc(C)c1[N+](=O)[O-] ZINC000531881968 458994116 /nfs/dbraw/zinc/99/41/16/458994116.db2.gz YYJXKCVFKXTJCC-INIZCTEOSA-N 0 0 344.367 3.144 10 5 EGBERN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888102 458995025 /nfs/dbraw/zinc/99/50/25/458995025.db2.gz VSOALSJKCXKFFF-ZJUUUORDSA-N 0 0 331.294 3.088 10 5 EGBERN C[C@@H]1C[C@@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519737360 458995292 /nfs/dbraw/zinc/99/52/92/458995292.db2.gz GNRIJYCNYYHCGR-VXGBXAGGSA-N 0 0 330.388 3.059 10 5 EGBERN CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476640235 459011009 /nfs/dbraw/zinc/01/10/09/459011009.db2.gz ZAWASHDDENLJQD-TVQRCGJNSA-N 0 0 346.836 3.366 10 5 EGBERN CCC1(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000477355395 459041814 /nfs/dbraw/zinc/04/18/14/459041814.db2.gz QBXRQNPIZMFLKG-JTQLQIEISA-N 0 0 326.780 3.464 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000520414037 459057647 /nfs/dbraw/zinc/05/76/47/459057647.db2.gz FVXOCCJOQHJOLZ-UTMSUHPFSA-N 0 0 348.447 3.129 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCO[C@H]3C[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000590052971 459073571 /nfs/dbraw/zinc/07/35/71/459073571.db2.gz GIVHNNAWXREBDD-QAPCUYQASA-N 0 0 344.342 3.499 10 5 EGBERN COc1cc(CNCc2cccc(C)c2OC)c([N+](=O)[O-])cc1OC ZINC000594520253 459077920 /nfs/dbraw/zinc/07/79/20/459077920.db2.gz JHCYWFGEEBKQDS-UHFFFAOYSA-N 0 0 346.383 3.219 10 5 EGBERN CCc1nocc1CSCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000594569700 459094786 /nfs/dbraw/zinc/09/47/86/459094786.db2.gz MHIIBNLWRVPELK-UHFFFAOYSA-N 0 0 336.369 3.365 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594592085 459100618 /nfs/dbraw/zinc/10/06/18/459100618.db2.gz YTTDXQFAJQEHTB-DLBZAZTESA-N 0 0 327.384 3.325 10 5 EGBERN COC[C@H](CC(C)(C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000594600838 459105016 /nfs/dbraw/zinc/10/50/16/459105016.db2.gz SEIJWZUGHXTZEU-LBPRGKRZSA-N 0 0 335.404 3.343 10 5 EGBERN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594601096 459106029 /nfs/dbraw/zinc/10/60/29/459106029.db2.gz SZFUFZKGJSQLKP-NSHDSACASA-N 0 0 336.417 3.232 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3ccccc3)C2)c1 ZINC000577863713 459110166 /nfs/dbraw/zinc/11/01/66/459110166.db2.gz NXKZZOZYEMVJLA-HNNXBMFYSA-N 0 0 342.351 3.039 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000590401141 459125383 /nfs/dbraw/zinc/12/53/83/459125383.db2.gz IKCFNIJWSQQXQY-INIZCTEOSA-N 0 0 339.395 3.329 10 5 EGBERN CC[C@@H](NC(=O)c1cccc2oc(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000590442840 459131614 /nfs/dbraw/zinc/13/16/14/459131614.db2.gz SYGAWCXGZKJHCN-CYBMUJFWSA-N 0 0 341.323 3.323 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590556584 459148062 /nfs/dbraw/zinc/14/80/62/459148062.db2.gz KILSZDLOTNKIMF-SFHVURJKSA-N 0 0 338.363 3.070 10 5 EGBERN CO[C@H](COc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000594886751 459166919 /nfs/dbraw/zinc/16/69/19/459166919.db2.gz AHKYALWHWHNLNN-TVQRCGJNSA-N 0 0 335.278 3.044 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000480557684 459204556 /nfs/dbraw/zinc/20/45/56/459204556.db2.gz SVVMMJCFARRDNT-SCZZXKLOSA-N 0 0 332.278 3.159 10 5 EGBERN Cc1sc(C(=O)NC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000522123033 459216209 /nfs/dbraw/zinc/21/62/09/459216209.db2.gz WSSRTAIWTVYZMC-UHFFFAOYSA-N 0 0 346.408 3.400 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000595107429 459246738 /nfs/dbraw/zinc/24/67/38/459246738.db2.gz CVVDIOYAECIIME-GFCCVEGCSA-N 0 0 335.404 3.091 10 5 EGBERN C[C@@H](C(=O)NC1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590883814 459258465 /nfs/dbraw/zinc/25/84/65/459258465.db2.gz BWDANZQQUQYGMD-PWQPVHBWSA-N 0 0 342.342 3.365 10 5 EGBERN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595280109 459266124 /nfs/dbraw/zinc/26/61/24/459266124.db2.gz YKKCFBRHNBNVAD-NVXWUHKLSA-N 0 0 332.400 3.450 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000523524237 459311057 /nfs/dbraw/zinc/31/10/57/459311057.db2.gz KONJTBWFGBGQFQ-ZDUSSCGKSA-N 0 0 326.418 3.247 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595481540 459319029 /nfs/dbraw/zinc/31/90/29/459319029.db2.gz PNLGEXPRVBFKAO-CABZTGNLSA-N 0 0 327.331 3.246 10 5 EGBERN CC1(C)Oc2ccsc2[C@@H](Nc2ccc([N+](=O)[O-])s2)[C@@H]1O ZINC000591177773 459328641 /nfs/dbraw/zinc/32/86/41/459328641.db2.gz ZXJOVUSHGBMURW-PWSUYJOCSA-N 0 0 326.399 3.403 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000482986910 459334223 /nfs/dbraw/zinc/33/42/23/459334223.db2.gz BYOFAVGHWOGWNC-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544155 459341757 /nfs/dbraw/zinc/34/17/57/459341757.db2.gz MNTDWZMUANTTKM-CZUORRHYSA-N 0 0 349.431 3.469 10 5 EGBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000560427706 459343416 /nfs/dbraw/zinc/34/34/16/459343416.db2.gz UZYHVBZELMUDCL-QGZVFWFLSA-N 0 0 341.367 3.148 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595551668 459344209 /nfs/dbraw/zinc/34/42/09/459344209.db2.gz XVKKKOOUCHJECJ-YGRLFVJLSA-N 0 0 327.331 3.309 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595607191 459364391 /nfs/dbraw/zinc/36/43/91/459364391.db2.gz UNSFKTTYXDJVJP-GFCCVEGCSA-N 0 0 338.404 3.156 10 5 EGBERN CC(C)(C)OC(=O)CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000582547538 459383688 /nfs/dbraw/zinc/38/36/88/459383688.db2.gz ICMNYSHDPKXWBV-UHFFFAOYSA-N 0 0 334.372 3.435 10 5 EGBERN O=C(Cc1cccc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540881287 459396010 /nfs/dbraw/zinc/39/60/10/459396010.db2.gz JHSRZSJVYJEONX-UHFFFAOYSA-N 0 0 347.374 3.270 10 5 EGBERN CCOCC(C)(C)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000569153214 459404518 /nfs/dbraw/zinc/40/45/18/459404518.db2.gz NTCMYGPHRICNHV-UHFFFAOYSA-N 0 0 328.796 3.349 10 5 EGBERN COc1cc(CN2CCOC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000595757818 459428761 /nfs/dbraw/zinc/42/87/61/459428761.db2.gz GCNYINRFNKYSKP-QGZVFWFLSA-N 0 0 346.358 3.316 10 5 EGBERN COc1cccc([C@]2(C)CCN(Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770433 459433415 /nfs/dbraw/zinc/43/34/15/459433415.db2.gz VKUPRPKVUFTBGJ-QGZVFWFLSA-N 0 0 331.372 3.063 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000485098629 459441919 /nfs/dbraw/zinc/44/19/19/459441919.db2.gz VWEIMDPNJOBDDT-NSHDSACASA-N 0 0 342.351 3.377 10 5 EGBERN C[C@@H]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569405197 459444993 /nfs/dbraw/zinc/44/49/93/459444993.db2.gz WMMUOTWHQSXHDK-OLZOCXBDSA-N 0 0 344.415 3.354 10 5 EGBERN CCOC(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)cc([N+](=O)[O-])c1 ZINC000525546471 459463096 /nfs/dbraw/zinc/46/30/96/459463096.db2.gz AGZPZYYCZDSXIO-UHFFFAOYSA-N 0 0 348.399 3.470 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000541525285 459463607 /nfs/dbraw/zinc/46/36/07/459463607.db2.gz GFUHRUMNIXVNFU-CQSZACIVSA-N 0 0 335.404 3.468 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000541525284 459463706 /nfs/dbraw/zinc/46/37/06/459463706.db2.gz GFUHRUMNIXVNFU-AWEZNQCLSA-N 0 0 335.404 3.468 10 5 EGBERN CC(C)(C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618845 459474053 /nfs/dbraw/zinc/47/40/53/459474053.db2.gz PVPPHFFEAZJRBV-HIFRSBDPSA-N 0 0 326.824 3.477 10 5 EGBERN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892952 459478474 /nfs/dbraw/zinc/47/84/74/459478474.db2.gz VMBYEQSHVHUBIB-BXUZGUMPSA-N 0 0 348.321 3.015 10 5 EGBERN CN(C)c1nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cs1 ZINC000591918531 459483902 /nfs/dbraw/zinc/48/39/02/459483902.db2.gz MOJIXLNWZXNTHP-UHFFFAOYSA-N 0 0 333.417 3.003 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3c(F)cc([N+](=O)[O-])cc3F)cc21 ZINC000486017036 459484859 /nfs/dbraw/zinc/48/48/59/459484859.db2.gz MWFLKEZCNIBJEO-UHFFFAOYSA-N 0 0 331.278 3.469 10 5 EGBERN COC(=O)CN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000541775445 459491360 /nfs/dbraw/zinc/49/13/60/459491360.db2.gz OJYFRKCRGVCHGS-UHFFFAOYSA-N 0 0 342.395 3.121 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000591994845 459507305 /nfs/dbraw/zinc/50/73/05/459507305.db2.gz UMLFNGRMAQQVCD-HNNXBMFYSA-N 0 0 345.399 3.266 10 5 EGBERN CS(=O)(=O)c1ccc(N2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000591997599 459508543 /nfs/dbraw/zinc/50/85/43/459508543.db2.gz BLFQBUIPZZKCKC-CQSZACIVSA-N 0 0 338.429 3.157 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000592007037 459509861 /nfs/dbraw/zinc/50/98/61/459509861.db2.gz XPIPBUJXKOBUDP-ZJUUUORDSA-N 0 0 339.367 3.238 10 5 EGBERN CCCCOCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596093793 459517735 /nfs/dbraw/zinc/51/77/35/459517735.db2.gz WZVJUFXPEVUPSJ-UHFFFAOYSA-N 0 0 330.768 3.263 10 5 EGBERN CC[C@@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124583 459529168 /nfs/dbraw/zinc/52/91/68/459529168.db2.gz WVAOFCDENWDEEH-PSLIRLAXSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(NCC(C)(C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596146387 459536034 /nfs/dbraw/zinc/53/60/34/459536034.db2.gz MABAQECHROTECM-SECBINFHSA-N 0 0 344.795 3.244 10 5 EGBERN COc1ccccc1C1(NCc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000592144363 459536279 /nfs/dbraw/zinc/53/62/79/459536279.db2.gz HOSAOUDMDZJEDU-UHFFFAOYSA-N 0 0 328.368 3.391 10 5 EGBERN CCOC(=O)CCC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596171055 459546721 /nfs/dbraw/zinc/54/67/21/459546721.db2.gz DSBWNZNVIQYGDA-UHFFFAOYSA-N 0 0 341.795 3.203 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596173330 459548306 /nfs/dbraw/zinc/54/83/06/459548306.db2.gz SUMUOYAXLZAUHD-SECBINFHSA-N 0 0 342.779 3.404 10 5 EGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@@H]1CCCO1 ZINC000596175557 459548478 /nfs/dbraw/zinc/54/84/78/459548478.db2.gz UHABXYATRGKTHL-CABZTGNLSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596212430 459561060 /nfs/dbraw/zinc/56/10/60/459561060.db2.gz GNUKJCKLZACWEY-CYBMUJFWSA-N 0 0 327.384 3.070 10 5 EGBERN O=[N+]([O-])c1cc(NC[C@@H](CO)c2cccnc2)ccc1C(F)(F)F ZINC000596235813 459570204 /nfs/dbraw/zinc/57/02/04/459570204.db2.gz MKMKGJIEWQQWFD-NSHDSACASA-N 0 0 341.289 3.197 10 5 EGBERN NC(=O)c1cc(N2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596258534 459576575 /nfs/dbraw/zinc/57/65/75/459576575.db2.gz KFFKLJZIAPPGGF-OAHLLOKOSA-N 0 0 327.340 3.018 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596264907 459578925 /nfs/dbraw/zinc/57/89/25/459578925.db2.gz NHKKOCATCHZYNB-DTORHVGOSA-N 0 0 328.752 3.014 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1CCCOc1ccccc1)CCCC2 ZINC000592360482 459579790 /nfs/dbraw/zinc/57/97/90/459579790.db2.gz POANLDCBGCVSNL-UHFFFAOYSA-N 0 0 328.368 3.104 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000596267487 459579878 /nfs/dbraw/zinc/57/98/78/459579878.db2.gz ZCVNJCDZEJAEPK-LDYMZIIASA-N 0 0 328.752 3.014 10 5 EGBERN CCOc1cc(NC(=O)N2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000527070120 459585417 /nfs/dbraw/zinc/58/54/17/459585417.db2.gz IIPFBCHSOZWPFC-QWRGUYRKSA-N 0 0 337.376 3.407 10 5 EGBERN CC[C@@H](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288509 459586028 /nfs/dbraw/zinc/58/60/28/459586028.db2.gz JUJPDSGTHUZMMI-ZJUUUORDSA-N 0 0 344.795 3.244 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(C3(F)CC3)n2)c(Br)c1 ZINC000592408940 459596121 /nfs/dbraw/zinc/59/61/21/459596121.db2.gz QMQYDSAOFGOKCT-UHFFFAOYSA-N 0 0 342.124 3.290 10 5 EGBERN COC[C@@H](CCNc1cc(C)c([N+](=O)[O-])cc1Br)OC ZINC000596332631 459599484 /nfs/dbraw/zinc/59/94/84/459599484.db2.gz ZKYHTPOUTQJWBE-SNVBAGLBSA-N 0 0 347.209 3.129 10 5 EGBERN C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000596472995 459649179 /nfs/dbraw/zinc/64/91/79/459649179.db2.gz DQJIPINTKFUOLW-PSASIEDQSA-N 0 0 330.182 3.122 10 5 EGBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1(F)F ZINC000596475773 459650121 /nfs/dbraw/zinc/65/01/21/459650121.db2.gz DFCORWSATBBKIG-INIZCTEOSA-N 0 0 349.337 3.448 10 5 EGBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000596487625 459654154 /nfs/dbraw/zinc/65/41/54/459654154.db2.gz ICQJWMBKMQYZIZ-IAQYHMDHSA-N 0 0 336.342 3.430 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)O[C@@H](C)C1 ZINC000596492405 459656292 /nfs/dbraw/zinc/65/62/92/459656292.db2.gz BFTNXMIPGTVVIO-NEPJUHHUSA-N 0 0 331.372 3.155 10 5 EGBERN CC(=O)c1ccc(NCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])c1 ZINC000596500603 459658125 /nfs/dbraw/zinc/65/81/25/459658125.db2.gz CHNLGASGLYVVDO-UHFFFAOYSA-N 0 0 328.372 3.411 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(c2ccccc2)CC1 ZINC000584138159 459662856 /nfs/dbraw/zinc/66/28/56/459662856.db2.gz WFQOOLJPXAEPRE-UHFFFAOYSA-N 0 0 349.390 3.467 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC2CCC1CC2 ZINC000500154566 459667331 /nfs/dbraw/zinc/66/73/31/459667331.db2.gz HEGZQXLBWXHBDT-ZBCRRDGASA-N 0 0 331.416 3.357 10 5 EGBERN Cc1cc(N2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596530001 459668373 /nfs/dbraw/zinc/66/83/73/459668373.db2.gz SQNQAADNWRVUOB-QWRGUYRKSA-N 0 0 330.306 3.395 10 5 EGBERN CNC(=O)c1ccc(N2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000596562468 459677103 /nfs/dbraw/zinc/67/71/03/459677103.db2.gz AQCRJJJHTHFXPK-UHFFFAOYSA-N 0 0 337.379 3.080 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1SC ZINC000592734875 459679659 /nfs/dbraw/zinc/67/96/59/459679659.db2.gz LBTSGCRHZUQLAV-GARJFASQSA-N 0 0 336.413 3.244 10 5 EGBERN CCOc1cc(N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000596569660 459680362 /nfs/dbraw/zinc/68/03/62/459680362.db2.gz ZGDBVBXHHUPKPA-HDICACEKSA-N 0 0 332.400 3.391 10 5 EGBERN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1C ZINC000543661990 459680661 /nfs/dbraw/zinc/68/06/61/459680661.db2.gz JEIGOAYGFXYIHV-KRWDZBQOSA-N 0 0 341.367 3.116 10 5 EGBERN CCOc1cc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596574990 459683262 /nfs/dbraw/zinc/68/32/62/459683262.db2.gz SAPAQVIONNNWFA-BMIGLBTASA-N 0 0 330.331 3.242 10 5 EGBERN COc1cc(Cc2noc([C@@H](OC)C3CCC3)n2)ccc1[N+](=O)[O-] ZINC000596591070 459687426 /nfs/dbraw/zinc/68/74/26/459687426.db2.gz MUFHLEJFPQQCLL-HNNXBMFYSA-N 0 0 333.344 3.065 10 5 EGBERN CO[C@@H]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000596602458 459694415 /nfs/dbraw/zinc/69/44/15/459694415.db2.gz LUWMOAOZPGXHAE-WDEREUQCSA-N 0 0 344.371 3.285 10 5 EGBERN CSc1cccc(C(=O)N2CC(C)(CC(F)F)C2)c1[N+](=O)[O-] ZINC000592834218 459701251 /nfs/dbraw/zinc/70/12/51/459701251.db2.gz GCLLFXKIIJVINC-UHFFFAOYSA-N 0 0 330.356 3.434 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC(C)(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000592833859 459701432 /nfs/dbraw/zinc/70/14/32/459701432.db2.gz BOUSKUJVJPMEKV-UHFFFAOYSA-N 0 0 342.342 3.499 10 5 EGBERN Cc1ccc(NC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000596636190 459707444 /nfs/dbraw/zinc/70/74/44/459707444.db2.gz KXCLSBYQHLRXBZ-NSHDSACASA-N 0 0 347.293 3.088 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000592875490 459709702 /nfs/dbraw/zinc/70/97/02/459709702.db2.gz QIZGPZWNSMEZBR-KLPPZKSPSA-N 0 0 331.372 3.152 10 5 EGBERN O=C1CCCCN1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647917 459713284 /nfs/dbraw/zinc/71/32/84/459713284.db2.gz ZGSSCYTYXPFLPG-UHFFFAOYSA-N 0 0 340.379 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C[C@@H](O)C3CC3)cc2)c1 ZINC000596647414 459713969 /nfs/dbraw/zinc/71/39/69/459713969.db2.gz JLMAYGVOKQXTMA-LJQANCHMSA-N 0 0 327.380 3.110 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000592903084 459717280 /nfs/dbraw/zinc/71/72/80/459717280.db2.gz SQZPORDQEAWLFL-MRXNPFEDSA-N 0 0 330.384 3.420 10 5 EGBERN O=C([O-])[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000596658566 459718409 /nfs/dbraw/zinc/71/84/09/459718409.db2.gz UNJGPNOIPZOXAQ-INIZCTEOSA-N 0 0 344.367 3.445 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(CCc3cccc(F)c3F)CC2)c1 ZINC000544070664 459723984 /nfs/dbraw/zinc/72/39/84/459723984.db2.gz IGWXYCUTEZSACN-UHFFFAOYSA-N 0 0 347.365 3.238 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(CCc3cccc(F)c3F)n2)cc1 ZINC000544077502 459724365 /nfs/dbraw/zinc/72/43/65/459724365.db2.gz WODIUQGGJSHSHG-UHFFFAOYSA-N 0 0 330.294 3.374 10 5 EGBERN Cc1nn(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000593000517 459735297 /nfs/dbraw/zinc/73/52/97/459735297.db2.gz PTHFXAZVFRXIKE-UHFFFAOYSA-N 0 0 342.277 3.147 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN2CCOc3cccc1c32 ZINC000544598694 459772028 /nfs/dbraw/zinc/77/20/28/459772028.db2.gz KGGJUGUDROWDSD-UHFFFAOYSA-N 0 0 325.368 3.122 10 5 EGBERN Cc1cc(NC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596825002 459772390 /nfs/dbraw/zinc/77/23/90/459772390.db2.gz UAVKXLBSGZNYKE-BONVTDFDSA-N 0 0 343.330 3.180 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000596842050 459776164 /nfs/dbraw/zinc/77/61/64/459776164.db2.gz AQSHVBBSTOMLGS-LBPRGKRZSA-N 0 0 349.387 3.169 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](CCF)C1 ZINC000596842023 459776266 /nfs/dbraw/zinc/77/62/66/459776266.db2.gz ADBVJGNTHRCFAZ-NSHDSACASA-N 0 0 325.340 3.207 10 5 EGBERN COc1ccccc1[C@@H](C[N+](=O)[O-])[C@H]1CCCC=C1N1CCOCC1 ZINC000584653848 459778511 /nfs/dbraw/zinc/77/85/11/459778511.db2.gz JKWJLOFTSVQTOO-WBVHZDCISA-N 0 0 346.427 3.072 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)C1O ZINC000596899219 459790685 /nfs/dbraw/zinc/79/06/85/459790685.db2.gz FOLVOOGDYJTIOH-RYUDHWBXSA-N 0 0 349.431 3.373 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596912609 459793763 /nfs/dbraw/zinc/79/37/63/459793763.db2.gz KSXDBGJWTAXJFN-KRWDZBQOSA-N 0 0 333.388 3.190 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593215500 459810237 /nfs/dbraw/zinc/81/02/37/459810237.db2.gz HEIWMKMUAYVIBU-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593240583 459817153 /nfs/dbraw/zinc/81/71/53/459817153.db2.gz ILVHUMYSTMQQLC-UHFFFAOYSA-N 0 0 338.282 3.163 10 5 EGBERN COC(=O)c1cc(C)nc(N2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000585702206 459835530 /nfs/dbraw/zinc/83/55/30/459835530.db2.gz RFTJTBAULDIOOD-LLVKDONJSA-N 0 0 327.340 3.168 10 5 EGBERN CCOC[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)C ZINC000597098163 459836477 /nfs/dbraw/zinc/83/64/77/459836477.db2.gz SIZJXOMVXDEGEX-NSHDSACASA-N 0 0 344.799 3.013 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCS1 ZINC000597096356 459836675 /nfs/dbraw/zinc/83/66/75/459836675.db2.gz IBPGFJVLWUNNLX-QMMMGPOBSA-N 0 0 344.824 3.190 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H](C)S1 ZINC000597101393 459837615 /nfs/dbraw/zinc/83/76/15/459837615.db2.gz IXWACZGOGPEZAK-HTQZYQBOSA-N 0 0 344.824 3.188 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCCCC3)n1 ZINC000593312837 459837848 /nfs/dbraw/zinc/83/78/48/459837848.db2.gz KSAOONBTERBRFU-UHFFFAOYSA-N 0 0 328.372 3.332 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000593315253 459838708 /nfs/dbraw/zinc/83/87/08/459838708.db2.gz AJHQJANDROQIPS-UHFFFAOYSA-N 0 0 326.352 3.180 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000585740278 459838931 /nfs/dbraw/zinc/83/89/31/459838931.db2.gz PEQDUTSUYCGZQR-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN CC[C@](C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000598250708 459840528 /nfs/dbraw/zinc/84/05/28/459840528.db2.gz NWYGIXFOTDBUCS-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN CC[C@H](NC(=O)C1(c2cc(C)no2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602115256 459845705 /nfs/dbraw/zinc/84/57/05/459845705.db2.gz HXQIVJDLSTXCQL-AWEZNQCLSA-N 0 0 329.356 3.190 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnn3c2CCCC3)n1 ZINC000545691675 459846178 /nfs/dbraw/zinc/84/61/78/459846178.db2.gz MWMDKBXNUOBIBI-UHFFFAOYSA-N 0 0 325.328 3.153 10 5 EGBERN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593329469 459847092 /nfs/dbraw/zinc/84/70/92/459847092.db2.gz YCMUBKUPKLXQPY-AWEZNQCLSA-N 0 0 340.379 3.162 10 5 EGBERN C[C@@H](NC(=O)C1(Nc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000602135299 459851066 /nfs/dbraw/zinc/85/10/66/459851066.db2.gz ZMEVSAOZLZTENT-CYBMUJFWSA-N 0 0 325.368 3.417 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)O1 ZINC000598295154 459851767 /nfs/dbraw/zinc/85/17/67/459851767.db2.gz AANVRHJYSVYSAZ-ZJUUUORDSA-N 0 0 346.305 3.253 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000598298560 459852369 /nfs/dbraw/zinc/85/23/69/459852369.db2.gz HLSWMVQWHSOGRF-MNOVXSKESA-N 0 0 334.397 3.449 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598298048 459852508 /nfs/dbraw/zinc/85/25/08/459852508.db2.gz XGTWCIWLFACXLI-JKSUJKDBSA-N 0 0 346.427 3.380 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000598297050 459852550 /nfs/dbraw/zinc/85/25/50/459852550.db2.gz UCYKYWCYGLJFMF-OLZOCXBDSA-N 0 0 336.388 3.022 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598315155 459862322 /nfs/dbraw/zinc/86/23/22/459862322.db2.gz ZSPGJIIRSCHMOJ-GJZGRUSLSA-N 0 0 332.400 3.451 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000593360656 459862830 /nfs/dbraw/zinc/86/28/30/459862830.db2.gz HDCGQVZCUJVGDD-AWEZNQCLSA-N 0 0 336.388 3.096 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369348 459868067 /nfs/dbraw/zinc/86/80/67/459868067.db2.gz BBLFFVQWYPXSIV-BLLLJJGKSA-N 0 0 335.404 3.160 10 5 EGBERN CC1(C)[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000598339639 459871802 /nfs/dbraw/zinc/87/18/02/459871802.db2.gz BEZOIHJKCZHGGS-ZDUSSCGKSA-N 0 0 337.326 3.026 10 5 EGBERN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000598367436 459881314 /nfs/dbraw/zinc/88/13/14/459881314.db2.gz RAXJHRPREXNQMC-IYXRBSQSSA-N 0 0 337.395 3.064 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000598392585 459886641 /nfs/dbraw/zinc/88/66/41/459886641.db2.gz HJWKWQLHNRXXRO-KGLIPLIRSA-N 0 0 332.400 3.001 10 5 EGBERN CO[C@H](C)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000608875475 459892461 /nfs/dbraw/zinc/89/24/61/459892461.db2.gz OQKVEFVMXFOJQU-SNVBAGLBSA-N 0 0 344.323 3.283 10 5 EGBERN COc1ccccc1C(C)(C)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587553425 459893364 /nfs/dbraw/zinc/89/33/64/459893364.db2.gz JJVYSJPMUIROPG-UHFFFAOYSA-N 0 0 345.399 3.068 10 5 EGBERN Cc1cc(C)n(CCCNc2ccnc3cc([N+](=O)[O-])ccc32)n1 ZINC000593459464 459895312 /nfs/dbraw/zinc/89/53/12/459895312.db2.gz PPSLRYVUVWDNNQ-UHFFFAOYSA-N 0 0 325.372 3.459 10 5 EGBERN Nc1cc(NCCc2cc3ccccc3o2)cc(CO)c1[N+](=O)[O-] ZINC000587982577 459897956 /nfs/dbraw/zinc/89/79/56/459897956.db2.gz UZBDOSFRZGORSF-UHFFFAOYSA-N 0 0 327.340 3.070 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000587987868 459898692 /nfs/dbraw/zinc/89/86/92/459898692.db2.gz NVXQDEABZZBVOI-AWEZNQCLSA-N 0 0 345.330 3.175 10 5 EGBERN CCCCO[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(C)C ZINC000587991576 459899056 /nfs/dbraw/zinc/89/90/56/459899056.db2.gz UNZRKSNUGSATFI-LSDHHAIUSA-N 0 0 337.420 3.065 10 5 EGBERN C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587989919 459899288 /nfs/dbraw/zinc/89/92/88/459899288.db2.gz HEIVUYYGAGMZFO-UKRRQHHQSA-N 0 0 341.411 3.127 10 5 EGBERN COc1ccc(CC(=O)N2CCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000609011305 459899922 /nfs/dbraw/zinc/89/99/22/459899922.db2.gz NZUKNHLDMAVGBE-UHFFFAOYSA-N 0 0 348.305 3.013 10 5 EGBERN COc1cccc(C(C)(C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588005152 459901112 /nfs/dbraw/zinc/90/11/12/459901112.db2.gz XOLLWUSOSHOYIY-UHFFFAOYSA-N 0 0 345.399 3.068 10 5 EGBERN Nc1cc(NCC2(c3ccc(F)cc3F)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588008704 459901731 /nfs/dbraw/zinc/90/17/31/459901731.db2.gz KYKGGGFPDNXIFJ-UHFFFAOYSA-N 0 0 349.337 3.091 10 5 EGBERN Nc1cc(NCC2(Cc3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588011208 459901752 /nfs/dbraw/zinc/90/17/52/459901752.db2.gz FQHMIFUYGJWTAV-UHFFFAOYSA-N 0 0 345.374 3.243 10 5 EGBERN CO[C@@H](C(=O)N1CCCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000597275356 459902175 /nfs/dbraw/zinc/90/21/75/459902175.db2.gz ICNNXWYQJJEIPD-QGZVFWFLSA-N 0 0 332.400 3.469 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000597281898 459903309 /nfs/dbraw/zinc/90/33/09/459903309.db2.gz IOMNJZKEDVNCNH-KFWWJZLASA-N 0 0 331.416 3.258 10 5 EGBERN Nc1cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588018258 459903693 /nfs/dbraw/zinc/90/36/93/459903693.db2.gz SPKVELMJEPIYIL-PBHICJAKSA-N 0 0 343.383 3.002 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000597282232 459903743 /nfs/dbraw/zinc/90/37/43/459903743.db2.gz IRJCXNSFNJEILV-CQSZACIVSA-N 0 0 345.399 3.293 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598465348 459903838 /nfs/dbraw/zinc/90/38/38/459903838.db2.gz MGBHZIHDVZAOKB-UHFFFAOYSA-N 0 0 329.347 3.194 10 5 EGBERN Nc1cc(N2CCC(F)(c3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588036075 459905119 /nfs/dbraw/zinc/90/51/19/459905119.db2.gz PPSGOGWHFQTSDV-UHFFFAOYSA-N 0 0 345.374 3.135 10 5 EGBERN CCc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000593510741 459910670 /nfs/dbraw/zinc/91/06/70/459910670.db2.gz ZBNKULGBKVNJNV-UHFFFAOYSA-N 0 0 334.397 3.173 10 5 EGBERN Cc1ccc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000598506898 459924481 /nfs/dbraw/zinc/92/44/81/459924481.db2.gz HJDKOMJPSLAHCH-CMPLNLGQSA-N 0 0 346.305 3.085 10 5 EGBERN CC1(C)CC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598505641 459924887 /nfs/dbraw/zinc/92/48/87/459924887.db2.gz WPHBVVOPSJLZHZ-UHFFFAOYSA-N 0 0 327.178 3.276 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000598505395 459925157 /nfs/dbraw/zinc/92/51/57/459925157.db2.gz BNSCGWISFGVLOX-KOLCDFICSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000598539939 459932979 /nfs/dbraw/zinc/93/29/79/459932979.db2.gz MUGKNPRSAFSPAD-XWCIJXRUSA-N 0 0 346.358 3.076 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000598540207 459933339 /nfs/dbraw/zinc/93/33/39/459933339.db2.gz PJVDEAQNWKOTAI-SJCJKPOMSA-N 0 0 328.368 3.009 10 5 EGBERN CCc1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598566675 459939817 /nfs/dbraw/zinc/93/98/17/459939817.db2.gz YQHSTRWFNLHUPZ-MGPLVRAMSA-N 0 0 342.342 3.042 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@](C)(C(F)F)O1 ZINC000598567155 459940254 /nfs/dbraw/zinc/94/02/54/459940254.db2.gz BASFRXQUBLGRQT-XLKFXECMSA-N 0 0 348.733 3.133 10 5 EGBERN CCc1ccncc1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593679138 459948137 /nfs/dbraw/zinc/94/81/37/459948137.db2.gz BJNQXZNGCGBIRC-LBPRGKRZSA-N 0 0 328.372 3.381 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)c2ccc(OC)c(F)c2)c1[N+](=O)[O-] ZINC000598600414 459959231 /nfs/dbraw/zinc/95/92/31/459959231.db2.gz DSLHETZVTUXKGH-SECBINFHSA-N 0 0 349.318 3.097 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000593727034 459965014 /nfs/dbraw/zinc/96/50/14/459965014.db2.gz ASDNMJAKOMWSHR-QGZVFWFLSA-N 0 0 347.802 3.100 10 5 EGBERN O=C(c1cc(NCC[C@H]2CC2(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000598636053 459971561 /nfs/dbraw/zinc/97/15/61/459971561.db2.gz FESPSCIDWCZNHA-NSHDSACASA-N 0 0 339.342 3.288 10 5 EGBERN CC(C)[C@H]1N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC12CC=CC2 ZINC000593753096 459973523 /nfs/dbraw/zinc/97/35/23/459973523.db2.gz RBICNVDYRRSFAI-QGZVFWFLSA-N 0 0 332.375 3.480 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593749260 459974282 /nfs/dbraw/zinc/97/42/82/459974282.db2.gz DKJGJJJQPOKNHJ-LBPRGKRZSA-N 0 0 326.352 3.412 10 5 EGBERN CC(C)(NC(=O)N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588756776 459979130 /nfs/dbraw/zinc/97/91/30/459979130.db2.gz KABPDZPPSDJVAG-GFCCVEGCSA-N 0 0 327.331 3.317 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598660645 459982379 /nfs/dbraw/zinc/98/23/79/459982379.db2.gz BPLFGTAHWMQZBA-GFCCVEGCSA-N 0 0 339.342 3.314 10 5 EGBERN CC(C)O[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000593788253 459986498 /nfs/dbraw/zinc/98/64/98/459986498.db2.gz ZHBSCWSXKVZIBF-ZDUSSCGKSA-N 0 0 331.372 3.106 10 5 EGBERN C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588851070 459992287 /nfs/dbraw/zinc/99/22/87/459992287.db2.gz CXYWJPMTWWVOJE-BONVTDFDSA-N 0 0 326.343 3.453 10 5 EGBERN COc1ccc(CC(=O)NCC[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000609656271 460003825 /nfs/dbraw/zinc/00/38/25/460003825.db2.gz GRBJUOWCGWVUCG-KGLIPLIRSA-N 0 0 334.416 3.479 10 5 EGBERN Cc1cc(C(=O)NCC[C@H]2CCc3ccccc3N2)cc([N+](=O)[O-])c1 ZINC000593915943 460017483 /nfs/dbraw/zinc/01/74/83/460017483.db2.gz LWKLOLCNKWSJDM-MRXNPFEDSA-N 0 0 339.395 3.450 10 5 EGBERN C[C@H](CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000609857607 460030198 /nfs/dbraw/zinc/03/01/98/460030198.db2.gz MXFBOSPHPAOFCC-CYBMUJFWSA-N 0 0 339.355 3.172 10 5 EGBERN C[C@@H](CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000609857608 460030514 /nfs/dbraw/zinc/03/05/14/460030514.db2.gz MXFBOSPHPAOFCC-ZDUSSCGKSA-N 0 0 339.355 3.172 10 5 EGBERN C[C@H](NC(=O)C[C@H]1OCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593965825 460030543 /nfs/dbraw/zinc/03/05/43/460030543.db2.gz VYBKSFOSDTXEDG-YVEFUNNKSA-N 0 0 326.352 3.434 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC12COC2 ZINC000597731798 460041769 /nfs/dbraw/zinc/04/17/69/460041769.db2.gz XZTHWJZTQOSMJJ-UHFFFAOYSA-N 0 0 348.424 3.244 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000598805678 460042699 /nfs/dbraw/zinc/04/26/99/460042699.db2.gz KEANTUBUFQUYJX-STQMWFEESA-N 0 0 328.372 3.029 10 5 EGBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000610006510 460051002 /nfs/dbraw/zinc/05/10/02/460051002.db2.gz IPKTWPGUFNDGES-CYBMUJFWSA-N 0 0 348.424 3.294 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1OCc2ccccc21 ZINC000594022000 460060959 /nfs/dbraw/zinc/06/09/59/460060959.db2.gz DDFMXZMIVXSMTG-GOSISDBHSA-N 0 0 340.379 3.257 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000618585259 460075177 /nfs/dbraw/zinc/07/51/77/460075177.db2.gz VMTSDEIFYAAGQS-STQMWFEESA-N 0 0 330.388 3.114 10 5 EGBERN CC(C)(C)c1coc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000594057884 460079718 /nfs/dbraw/zinc/07/97/18/460079718.db2.gz AEWGIRBYFNSZDY-UHFFFAOYSA-N 0 0 339.298 3.340 10 5 EGBERN COC1CC(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597863300 460084422 /nfs/dbraw/zinc/08/44/22/460084422.db2.gz DHBWDMXUANIRBJ-UHFFFAOYSA-N 0 0 346.305 3.159 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cncc(OC(C)C)n1 ZINC000594067357 460084600 /nfs/dbraw/zinc/08/46/00/460084600.db2.gz KUHDYWOIILJVTB-UHFFFAOYSA-N 0 0 344.371 3.350 10 5 EGBERN CC(C)Oc1cncc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000594067823 460084840 /nfs/dbraw/zinc/08/48/40/460084840.db2.gz UQDXZRBHVHFOOE-UHFFFAOYSA-N 0 0 344.371 3.088 10 5 EGBERN CCNc1ccc(C(=O)N2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000594069986 460086091 /nfs/dbraw/zinc/08/60/91/460086091.db2.gz IAFPCNIHQJJQOO-UHFFFAOYSA-N 0 0 326.356 3.015 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cncc2c1CCCC2 ZINC000597868640 460086774 /nfs/dbraw/zinc/08/67/74/460086774.db2.gz BNJYVVHPUIJBHW-UHFFFAOYSA-N 0 0 347.321 3.328 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594074451 460088424 /nfs/dbraw/zinc/08/84/24/460088424.db2.gz VXNIHHNRYNLOPB-IAGOWNOFSA-N 0 0 332.400 3.235 10 5 EGBERN CNc1ccc(C(=O)Nc2nnc(CCC(C)C)s2)cc1[N+](=O)[O-] ZINC000597871063 460088616 /nfs/dbraw/zinc/08/86/16/460088616.db2.gz VASBLBXHGQNJOQ-UHFFFAOYSA-N 0 0 349.416 3.329 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](C(F)F)C1CCCCC1 ZINC000598895569 460088936 /nfs/dbraw/zinc/08/89/36/460088936.db2.gz NSGJIYOYTJAATO-HNNXBMFYSA-N 0 0 326.343 3.468 10 5 EGBERN CC(C)c1ncc2c(n1)CCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000598939545 460095517 /nfs/dbraw/zinc/09/55/17/460095517.db2.gz MUFPHYJQXYKDBQ-UHFFFAOYSA-N 0 0 330.363 3.206 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc3c(c2)COC3)c1 ZINC000589508638 460097303 /nfs/dbraw/zinc/09/73/03/460097303.db2.gz VQYCQMJZVDVMGG-UHFFFAOYSA-N 0 0 328.324 3.024 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(CC3)c3ccccc32)c1 ZINC000589510747 460097375 /nfs/dbraw/zinc/09/73/75/460097375.db2.gz MBERCAIBLFSZRA-UHFFFAOYSA-N 0 0 338.363 3.433 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000597918987 460110921 /nfs/dbraw/zinc/11/09/21/460110921.db2.gz JBDXVKKKLMHIRH-CYBMUJFWSA-N 0 0 338.429 3.252 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccco2)CC1 ZINC000597922754 460111934 /nfs/dbraw/zinc/11/19/34/460111934.db2.gz MIJDACMEKFNZEQ-UHFFFAOYSA-N 0 0 330.340 3.216 10 5 EGBERN O=[N+]([O-])c1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000598988831 460118660 /nfs/dbraw/zinc/11/86/60/460118660.db2.gz BYXQTVCHESAZTL-GFCCVEGCSA-N 0 0 348.712 3.338 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCCOC1 ZINC000599004576 460124669 /nfs/dbraw/zinc/12/46/69/460124669.db2.gz UZZCGUGNESVENR-INIZCTEOSA-N 0 0 349.431 3.033 10 5 EGBERN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000602802652 460135304 /nfs/dbraw/zinc/13/53/04/460135304.db2.gz SLHXLVMVKJDKTP-QMMMGPOBSA-N 0 0 329.187 3.486 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594186245 460140570 /nfs/dbraw/zinc/14/05/70/460140570.db2.gz NFZAEHVZWPDPEU-CABCVRRESA-N 0 0 338.429 3.151 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](C2CCOCC2)C1 ZINC000599057286 460143383 /nfs/dbraw/zinc/14/33/83/460143383.db2.gz BNNHEMFSRPYHED-HNNXBMFYSA-N 0 0 327.384 3.396 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202431 460148158 /nfs/dbraw/zinc/14/81/58/460148158.db2.gz HKXHYKTWCMLGTN-GFCCVEGCSA-N 0 0 338.791 3.470 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594204519 460149912 /nfs/dbraw/zinc/14/99/12/460149912.db2.gz QWBSCFVHIFVWSD-CQSZACIVSA-N 0 0 332.400 3.088 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594203356 460150011 /nfs/dbraw/zinc/15/00/11/460150011.db2.gz LEQAAXXYKYPJTI-GFCCVEGCSA-N 0 0 336.363 3.298 10 5 EGBERN Cn1c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000598038974 460151148 /nfs/dbraw/zinc/15/11/48/460151148.db2.gz ISRQMQMKTQVZTC-HNNXBMFYSA-N 0 0 329.356 3.284 10 5 EGBERN C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589859607 460152459 /nfs/dbraw/zinc/15/24/59/460152459.db2.gz FTOUWYUJTICKCF-SNVBAGLBSA-N 0 0 349.350 3.320 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000599083834 460155224 /nfs/dbraw/zinc/15/52/24/460155224.db2.gz YANKPLGHFDMGJC-CYBMUJFWSA-N 0 0 343.774 3.444 10 5 EGBERN CC1(C)Cc2ccccc2N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000589925354 460161015 /nfs/dbraw/zinc/16/10/15/460161015.db2.gz SCGSYRUMNNXAHW-UHFFFAOYSA-N 0 0 346.408 3.372 10 5 EGBERN Cc1ccnc([C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000599103670 460161987 /nfs/dbraw/zinc/16/19/87/460161987.db2.gz XRPSKCIHHUMWDU-CYBMUJFWSA-N 0 0 335.367 3.235 10 5 EGBERN C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000599103665 460162067 /nfs/dbraw/zinc/16/20/67/460162067.db2.gz XQTRYOICTWABBA-MCIONIFRSA-N 0 0 344.415 3.053 10 5 EGBERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000599118886 460166337 /nfs/dbraw/zinc/16/63/37/460166337.db2.gz LNSBOQJOWLXQEE-AWEZNQCLSA-N 0 0 328.368 3.125 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1S[C@H]1COC(C)(C)C1 ZINC000599125455 460167959 /nfs/dbraw/zinc/16/79/59/460167959.db2.gz PVDWGMITUOFVAA-SNVBAGLBSA-N 0 0 325.386 3.349 10 5 EGBERN COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000598101821 460174398 /nfs/dbraw/zinc/17/43/98/460174398.db2.gz QSEXCLJYWDQTQS-XHDPSFHLSA-N 0 0 326.352 3.062 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)C(F)(F)F)n2)c1 ZINC000599154017 460179592 /nfs/dbraw/zinc/17/95/92/460179592.db2.gz NVOVEGKQTLUWNT-QMMMGPOBSA-N 0 0 345.277 3.318 10 5 EGBERN CC[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594281766 460179791 /nfs/dbraw/zinc/17/97/91/460179791.db2.gz YGKSHPOCWYHMIX-GDBMZVCRSA-N 0 0 349.431 3.477 10 5 EGBERN CCOc1cc(NC[C@@H]2c3ccccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000599164410 460183439 /nfs/dbraw/zinc/18/34/39/460183439.db2.gz MVDXCPORQUEUOZ-MRXNPFEDSA-N 0 0 341.367 3.232 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000599174183 460187742 /nfs/dbraw/zinc/18/77/42/460187742.db2.gz MBSGMLMJUIMEGZ-AWEZNQCLSA-N 0 0 346.774 3.232 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599182630 460191756 /nfs/dbraw/zinc/19/17/56/460191756.db2.gz ZSYKWWHIZFPRDY-JOYOIKCWSA-N 0 0 327.178 3.337 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000598216021 460207633 /nfs/dbraw/zinc/20/76/33/460207633.db2.gz NJXZZBZTDPVRIL-ONGXEEELSA-N 0 0 346.305 3.301 10 5 EGBERN COc1cc(C(=O)NCC[C@@]2(C)CC2(F)F)cc([N+](=O)[O-])c1C ZINC000598217590 460208871 /nfs/dbraw/zinc/20/88/71/460208871.db2.gz CCYKPZZWNGAXAA-AWEZNQCLSA-N 0 0 328.315 3.077 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CC1(F)F ZINC000598219588 460210076 /nfs/dbraw/zinc/21/00/76/460210076.db2.gz SDHMZKNDNOLVKK-OQPBUACISA-N 0 0 348.733 3.177 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](CCF)C1 ZINC000598220809 460211585 /nfs/dbraw/zinc/21/15/85/460211585.db2.gz OGVOBJXCPNCQDZ-ZDUSSCGKSA-N 0 0 333.363 3.148 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCCO1 ZINC000610718842 460224941 /nfs/dbraw/zinc/22/49/41/460224941.db2.gz QVOCVQUBUFHIDK-INIZCTEOSA-N 0 0 345.399 3.401 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(CC(F)(F)F)C1 ZINC000610742510 460229174 /nfs/dbraw/zinc/22/91/74/460229174.db2.gz MMXWMSADUVXMPI-UHFFFAOYSA-N 0 0 333.266 3.020 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1cc(CO)ccc1F)C1CC1 ZINC000599333850 460231519 /nfs/dbraw/zinc/23/15/19/460231519.db2.gz AFRHANYCABIXPC-UHFFFAOYSA-N 0 0 330.359 3.391 10 5 EGBERN Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc21 ZINC000610772487 460234704 /nfs/dbraw/zinc/23/47/04/460234704.db2.gz XDTWXVXEQRHSNY-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000610968287 460267736 /nfs/dbraw/zinc/26/77/36/460267736.db2.gz RHTBUKPLKUHKRE-UHFFFAOYSA-N 0 0 337.326 3.040 10 5 EGBERN CCOC(=O)CCC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000610969758 460268955 /nfs/dbraw/zinc/26/89/55/460268955.db2.gz NHXDEOLKOUSJKR-UHFFFAOYSA-N 0 0 336.388 3.163 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ncccc2C1 ZINC000611007308 460277499 /nfs/dbraw/zinc/27/74/99/460277499.db2.gz DUIOWHCDUOGCHA-GFCCVEGCSA-N 0 0 343.408 3.055 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2ocnc2C(F)F)cc1[N+](=O)[O-] ZINC000599635715 460293589 /nfs/dbraw/zinc/29/35/89/460293589.db2.gz UAIUZGFNRAHKNM-MRVPVSSYSA-N 0 0 325.271 3.320 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCO[C@@H](CCF)C2)c1 ZINC000599636148 460294111 /nfs/dbraw/zinc/29/41/11/460294111.db2.gz XFSYPQRPKQPMOQ-LBPRGKRZSA-N 0 0 336.285 3.174 10 5 EGBERN O=c1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642905 460295468 /nfs/dbraw/zinc/29/54/68/460295468.db2.gz XLENFVLWZFDANH-CQSZACIVSA-N 0 0 334.763 3.081 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@@H]2O)nc1-c1ccccc1 ZINC000611182076 460302145 /nfs/dbraw/zinc/30/21/45/460302145.db2.gz PZXKKFDLGVOANH-ZBFHGGJFSA-N 0 0 327.384 3.042 10 5 EGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(F)F)C1 ZINC000611179451 460302378 /nfs/dbraw/zinc/30/23/78/460302378.db2.gz CORXUFZLPKQOBT-KOLCDFICSA-N 0 0 338.314 3.293 10 5 EGBERN CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCCCO1 ZINC000611196592 460305867 /nfs/dbraw/zinc/30/58/67/460305867.db2.gz LFOWXWHBUGKBHR-HNNXBMFYSA-N 0 0 345.399 3.401 10 5 EGBERN CSc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccn1 ZINC000611230708 460313168 /nfs/dbraw/zinc/31/31/68/460313168.db2.gz WMZIKXIPCWMCFD-UHFFFAOYSA-N 0 0 333.369 3.119 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599772658 460331107 /nfs/dbraw/zinc/33/11/07/460331107.db2.gz CHMUWJXKCFKXGF-HNNXBMFYSA-N 0 0 346.431 3.350 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccsc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599807103 460337497 /nfs/dbraw/zinc/33/74/97/460337497.db2.gz DFTLTASHONURNF-JKSUJKDBSA-N 0 0 344.392 3.050 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC(C)(C)O1 ZINC000599828998 460343078 /nfs/dbraw/zinc/34/30/78/460343078.db2.gz ALMPTZYIBZAXNF-NSHDSACASA-N 0 0 344.371 3.174 10 5 EGBERN CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)C1 ZINC000599836214 460345581 /nfs/dbraw/zinc/34/55/81/460345581.db2.gz QBPFTVAKYVZFNG-NEPJUHHUSA-N 0 0 344.371 3.174 10 5 EGBERN Cc1cc(CNc2cc(Br)cc([N+](=O)[O-])c2C)nn1C ZINC000619526283 460374741 /nfs/dbraw/zinc/37/47/41/460374741.db2.gz BMWYDDKYWKQHRF-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1F ZINC000611503306 460378727 /nfs/dbraw/zinc/37/87/27/460378727.db2.gz PYIYNYVFBHJOOQ-PSASIEDQSA-N 0 0 347.293 3.408 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611505228 460380796 /nfs/dbraw/zinc/38/07/96/460380796.db2.gz ASELSORBWIIZOG-OCCSQVGLSA-N 0 0 335.379 3.015 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1F ZINC000611507240 460381582 /nfs/dbraw/zinc/38/15/82/460381582.db2.gz ZELPTHZXINAVPP-LDYMZIIASA-N 0 0 334.269 3.434 10 5 EGBERN C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611512510 460382903 /nfs/dbraw/zinc/38/29/03/460382903.db2.gz GRSVHAHPZMTWPG-BBRMVZONSA-N 0 0 337.395 3.307 10 5 EGBERN Nc1cc(NCC2(c3ccccc3)CCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525535 460387580 /nfs/dbraw/zinc/38/75/80/460387580.db2.gz YQZKQVUGTBWMGE-UHFFFAOYSA-N 0 0 327.384 3.203 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000619638922 460400697 /nfs/dbraw/zinc/40/06/97/460400697.db2.gz NDYDXIBBAAJPMP-CMPLNLGQSA-N 0 0 325.340 3.205 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600166325 460416050 /nfs/dbraw/zinc/41/60/50/460416050.db2.gz ZDOVTIZAGHDMRF-JTQLQIEISA-N 0 0 346.305 3.160 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCCOC1 ZINC000600173732 460420180 /nfs/dbraw/zinc/42/01/80/460420180.db2.gz SPZRPEPUAVFYJK-QWHCGFSZSA-N 0 0 338.429 3.008 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(C2CCOCC2)C1 ZINC000619730122 460423653 /nfs/dbraw/zinc/42/36/53/460423653.db2.gz JPWVVSYCISJWFR-UHFFFAOYSA-N 0 0 332.400 3.019 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000600208452 460440290 /nfs/dbraw/zinc/44/02/90/460440290.db2.gz SSTWXECRJYWTAM-CZUORRHYSA-N 0 0 342.399 3.192 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000611764040 460454896 /nfs/dbraw/zinc/45/48/96/460454896.db2.gz ZRYHZKRWAUXCCL-AWEZNQCLSA-N 0 0 335.367 3.002 10 5 EGBERN CCOc1ccc(C(=O)N2CC(OC(C)(C)CC)C2)cc1[N+](=O)[O-] ZINC000600268529 460461495 /nfs/dbraw/zinc/46/14/95/460461495.db2.gz SPQKMZNVZGSNPG-UHFFFAOYSA-N 0 0 336.388 3.023 10 5 EGBERN CCCOc1cncc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000600365350 460483561 /nfs/dbraw/zinc/48/35/61/460483561.db2.gz GABLFSSNYHRSOV-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600445183 460497027 /nfs/dbraw/zinc/49/70/27/460497027.db2.gz ZTSGRKVNLJHSQY-LOKDSWTASA-N 0 0 346.305 3.155 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000611988500 460502345 /nfs/dbraw/zinc/50/23/45/460502345.db2.gz PLUMLLIWUZAAON-QDZRJHCZSA-N 0 0 346.412 3.478 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc([N+](=O)[O-])s1 ZINC000600478835 460503411 /nfs/dbraw/zinc/50/34/11/460503411.db2.gz RZBXKXMJFJWJET-BIGNPOOSSA-N 0 0 334.784 3.378 10 5 EGBERN C[C@]1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]2C[C@H]2C1 ZINC000600500599 460505875 /nfs/dbraw/zinc/50/58/75/460505875.db2.gz RNAZSQDJKATXKF-UOIKSKOESA-N 0 0 327.384 3.102 10 5 EGBERN CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC(F)(F)CC1 ZINC000612064621 460524680 /nfs/dbraw/zinc/52/46/80/460524680.db2.gz MZLWERBNFKJBPL-UHFFFAOYSA-N 0 0 342.298 3.021 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCC12CCOCC2 ZINC000601162226 460736257 /nfs/dbraw/zinc/73/62/57/460736257.db2.gz KJRPUVFMLGSHAX-VIFPVBQESA-N 0 0 348.325 3.108 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[C@H]3c3cccnc3)cc2N1 ZINC000601191038 460745915 /nfs/dbraw/zinc/74/59/15/460745915.db2.gz FNOARTJBCLLLBM-KBPBESRZSA-N 0 0 338.367 3.090 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@]1(C)CC1(F)F ZINC000601196107 460747632 /nfs/dbraw/zinc/74/76/32/460747632.db2.gz ZBADDOCYVIXEHE-VIFPVBQESA-N 0 0 328.241 3.194 10 5 EGBERN Cn1cc(CC2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)cn1 ZINC000601198942 460748333 /nfs/dbraw/zinc/74/83/33/460748333.db2.gz KLWABDUDRIXENX-UHFFFAOYSA-N 0 0 349.394 3.069 10 5 EGBERN O=C(NC1CC1)c1ccc(N2CCC(CCF)CC2)c([N+](=O)[O-])c1 ZINC000601218516 460755073 /nfs/dbraw/zinc/75/50/73/460755073.db2.gz XHVHXIOMYVVAIN-UHFFFAOYSA-N 0 0 335.379 3.063 10 5 EGBERN C[C@@H]1CCn2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)nc2C1 ZINC000601353983 460793824 /nfs/dbraw/zinc/79/38/24/460793824.db2.gz VCCIKMRBGUBADU-SNVBAGLBSA-N 0 0 325.328 3.091 10 5 EGBERN CCC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601383233 460800643 /nfs/dbraw/zinc/80/06/43/460800643.db2.gz GXHMYEPRLHYJPT-MRXNPFEDSA-N 0 0 332.400 3.044 10 5 EGBERN CCCc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n(C)n1 ZINC000601404016 460805742 /nfs/dbraw/zinc/80/57/42/460805742.db2.gz DXCAMFVGUVUJPO-UHFFFAOYSA-N 0 0 342.399 3.341 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCC1([C@H]2CCCCO2)CCC1 ZINC000601567101 460834958 /nfs/dbraw/zinc/83/49/58/460834958.db2.gz QIHPQVLESMLFMZ-MRXNPFEDSA-N 0 0 347.415 3.133 10 5 EGBERN O=C(NCCCC1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601600912 460842979 /nfs/dbraw/zinc/84/29/79/460842979.db2.gz GCHPLKSSYJHEFK-UHFFFAOYSA-N 0 0 346.427 3.340 10 5 EGBERN O=C(Nc1cccc(CCO)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601624631 460850666 /nfs/dbraw/zinc/85/06/66/460850666.db2.gz GMDSOFGPOUKJQV-UHFFFAOYSA-N 0 0 340.379 3.190 10 5 EGBERN O=C(N1CCO[C@@H](C2CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601633861 460852913 /nfs/dbraw/zinc/85/29/13/460852913.db2.gz YAOHDKNTMXYFNA-QGZVFWFLSA-N 0 0 344.411 3.044 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601660659 460861293 /nfs/dbraw/zinc/86/12/93/460861293.db2.gz SJQATRCGPIFJIG-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCF)CC1 ZINC000601747018 460889152 /nfs/dbraw/zinc/88/91/52/460889152.db2.gz HMZIXAHVGOFOFM-UHFFFAOYSA-N 0 0 328.771 3.389 10 5 EGBERN C[C@@H](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782243 460896451 /nfs/dbraw/zinc/89/64/51/460896451.db2.gz XXLYRGQZNYMQBA-LIRRHRJNSA-N 0 0 342.395 3.112 10 5 EGBERN Cc1cccc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC000601858329 460928049 /nfs/dbraw/zinc/92/80/49/460928049.db2.gz YDQZJNCUHCUYIQ-HNNXBMFYSA-N 0 0 332.400 3.372 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000601876273 460933615 /nfs/dbraw/zinc/93/36/15/460933615.db2.gz HYDMIOFDOWCKQY-IAGOWNOFSA-N 0 0 346.427 3.336 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnn1CC1CCC1 ZINC000601886265 460936629 /nfs/dbraw/zinc/93/66/29/460936629.db2.gz UBMPSSDXLSIQKC-UHFFFAOYSA-N 0 0 344.371 3.242 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601887728 460936724 /nfs/dbraw/zinc/93/67/24/460936724.db2.gz SWOHBGNOVZBRMS-LSDHHAIUSA-N 0 0 338.791 3.326 10 5 EGBERN COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000601943404 460955084 /nfs/dbraw/zinc/95/50/84/460955084.db2.gz UXOHSEYFJPOXFQ-YVEFUNNKSA-N 0 0 344.367 3.168 10 5 EGBERN COC(=O)c1cccc(F)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617854283 460999915 /nfs/dbraw/zinc/99/99/15/460999915.db2.gz VKJYQIJUISNVJR-JTQLQIEISA-N 0 0 346.314 3.263 10 5 EGBERN COC(=O)c1cc(N(C)Cc2cnc(C)s2)cc(C)c1[N+](=O)[O-] ZINC000177813901 533850213 /nfs/dbraw/zinc/85/02/13/533850213.db2.gz OXLUCSNJFVMBHR-UHFFFAOYSA-N 0 0 335.385 3.091 10 5 EGBERN Cc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000359966952 518187468 /nfs/dbraw/zinc/18/74/68/518187468.db2.gz SWZGNMHFPZZVSU-LLVKDONJSA-N 0 0 332.335 3.297 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000176327791 528307214 /nfs/dbraw/zinc/30/72/14/528307214.db2.gz XAWWIFSVLGCVBO-ZDUSSCGKSA-N 0 0 345.359 3.470 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186644126 528335744 /nfs/dbraw/zinc/33/57/44/528335744.db2.gz YSRAOHLLBLWUOR-ZDUSSCGKSA-N 0 0 336.413 3.289 10 5 EGBERN CC[C@@H](NCc1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181537297 529189618 /nfs/dbraw/zinc/18/96/18/529189618.db2.gz HRAUGFPGAKACIT-CQSZACIVSA-N 0 0 334.401 3.251 10 5 EGBERN CC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351730555 535805136 /nfs/dbraw/zinc/80/51/36/535805136.db2.gz PUFVEZWPTAUKBE-OAHLLOKOSA-N 0 0 338.358 3.464 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000356247675 536851193 /nfs/dbraw/zinc/85/11/93/536851193.db2.gz VDNHZDDUSGMLAH-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN COc1cccc(CNc2ccncc2[N+](=O)[O-])c1OC1CCCC1 ZINC000354618064 537107666 /nfs/dbraw/zinc/10/76/66/537107666.db2.gz YCDUUGORCJSTSW-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN O=C(NCC1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000031812409 546536236 /nfs/dbraw/zinc/53/62/36/546536236.db2.gz FZOMODCJEFJLFG-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN CC(C)Oc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000726633975 574564300 /nfs/dbraw/zinc/56/43/00/574564300.db2.gz ASCHXUWHZQCABK-UHFFFAOYSA-N 0 0 330.340 3.321 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc2C1 ZINC000728988148 574791692 /nfs/dbraw/zinc/79/16/92/574791692.db2.gz GYSJXAGHDGETBV-LBPRGKRZSA-N 0 0 331.299 3.028 10 5 EGBERN CCN(C)C(=O)c1cccc(C(=O)OCc2csc([N+](=O)[O-])c2)c1 ZINC000729127837 574816565 /nfs/dbraw/zinc/81/65/65/574816565.db2.gz UNIAYLJBKOBAHR-UHFFFAOYSA-N 0 0 348.380 3.105 10 5 EGBERN O=C(NCCNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000729630292 574874909 /nfs/dbraw/zinc/87/49/09/574874909.db2.gz ALINDSYVCURSCS-UHFFFAOYSA-N 0 0 342.380 3.046 10 5 EGBERN O=C(OCc1nc(-c2ccoc2)no1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729863284 574893155 /nfs/dbraw/zinc/89/31/55/574893155.db2.gz YTXXEZGXLHTKTB-UHFFFAOYSA-N 0 0 349.686 3.248 10 5 EGBERN COc1ccc2[nH]cc(C(=O)OCc3ccccc3[N+](=O)[O-])c2c1 ZINC000730361588 574977867 /nfs/dbraw/zinc/97/78/67/574977867.db2.gz RIXLBZJMDUITAV-UHFFFAOYSA-N 0 0 326.308 3.442 10 5 EGBERN COc1ccc(COCCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000731061025 575048144 /nfs/dbraw/zinc/04/81/44/575048144.db2.gz AFLFGDYUIRUYFD-UHFFFAOYSA-N 0 0 345.351 3.285 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731459631 575074473 /nfs/dbraw/zinc/07/44/73/575074473.db2.gz IAJLEFRTMDLBTN-SECBINFHSA-N 0 0 345.286 3.234 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000732582215 575278438 /nfs/dbraw/zinc/27/84/38/575278438.db2.gz QBSVXSPGMJVZJJ-CQSZACIVSA-N 0 0 329.352 3.396 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)nc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000733097925 575308429 /nfs/dbraw/zinc/30/84/29/575308429.db2.gz QYMQNAWHODFJQE-SNVBAGLBSA-N 0 0 348.790 3.200 10 5 EGBERN CN(C)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000733573287 575365548 /nfs/dbraw/zinc/36/55/48/575365548.db2.gz PLQMVHJZPCPGFB-UHFFFAOYSA-N 0 0 335.747 3.066 10 5 EGBERN CC[C@H]1CCC[C@H](OC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000734722188 575543170 /nfs/dbraw/zinc/54/31/70/575543170.db2.gz JSGWCYLPBVEXLX-JSGCOSHPSA-N 0 0 337.372 3.494 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000735487443 575668470 /nfs/dbraw/zinc/66/84/70/575668470.db2.gz YWLAPMRYOZSVGG-GFCCVEGCSA-N 0 0 343.261 3.034 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000735487635 575668618 /nfs/dbraw/zinc/66/86/18/575668618.db2.gz QZCPBAOWKCUPEX-CYBMUJFWSA-N 0 0 336.392 3.191 10 5 EGBERN O=C(/C=C\C1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736165258 575906185 /nfs/dbraw/zinc/90/61/85/575906185.db2.gz BECHBORQBLAHIY-AJHXJQRKSA-N 0 0 344.415 3.139 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NCC3(O)Cc4ccccc4C3)sc2c1 ZINC000737433748 576228893 /nfs/dbraw/zinc/22/88/93/576228893.db2.gz HOYRSWSIGFSBDS-UHFFFAOYSA-N 0 0 341.392 3.146 10 5 EGBERN O=[N+]([O-])c1nn(CN2CCC3(C2)CCCCC3)cc1Br ZINC000742166342 576754154 /nfs/dbraw/zinc/75/41/54/576754154.db2.gz OOQGFBKYAMPYCI-UHFFFAOYSA-N 0 0 343.225 3.168 10 5 EGBERN CCOc1ccc(NCc2cccc([N+](=O)[O-])c2C)c(C(N)=O)c1 ZINC000742260550 576763939 /nfs/dbraw/zinc/76/39/39/576763939.db2.gz MPDBBNYGPLNOIC-UHFFFAOYSA-N 0 0 329.356 3.013 10 5 EGBERN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479671 576810040 /nfs/dbraw/zinc/81/00/40/576810040.db2.gz LFSPASNFGYRLLI-RHSMWYFYSA-N 0 0 339.395 3.359 10 5 EGBERN CC(=O)c1ccc(O)c(CCOC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000744682056 576832722 /nfs/dbraw/zinc/83/27/22/576832722.db2.gz OJFKEZOOCWVRLR-UHFFFAOYSA-N 0 0 349.364 3.272 10 5 EGBERN C[C@H](OC(=O)[C@@](C)(O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000745146180 576842182 /nfs/dbraw/zinc/84/21/82/576842182.db2.gz KFIIUJLBVFPRNQ-UGSOOPFHSA-N 0 0 329.352 3.193 10 5 EGBERN Cc1ncc(Cl)c(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000745374460 576846855 /nfs/dbraw/zinc/84/68/55/576846855.db2.gz DKQIFCSYMBDLQQ-UHFFFAOYSA-N 0 0 342.138 3.357 10 5 EGBERN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007957357 1291096437 /nfs/dbraw/zinc/09/64/37/1291096437.db2.gz YCCOLZRALWFSJG-VOYKYCDJSA-N 0 0 346.383 3.169 10 5 EGBERN COc1cccc(/C(C)=C/C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000081057932 1292635638 /nfs/dbraw/zinc/63/56/38/1292635638.db2.gz KCDAOONAXBBCDY-UKTHLTGXSA-N 0 0 326.352 3.323 10 5 EGBERN Cc1c(CS(=O)(=O)Cc2cccnc2Cl)cccc1[N+](=O)[O-] ZINC000113498075 1293153400 /nfs/dbraw/zinc/15/34/00/1293153400.db2.gz XNGLMIPVJRQPLJ-UHFFFAOYSA-N 0 0 340.788 3.067 10 5 EGBERN C[C@@H](Oc1c(Br)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000133491668 1293745987 /nfs/dbraw/zinc/74/59/87/1293745987.db2.gz QVRQVZDMCMSUNQ-MRVPVSSYSA-N 0 0 346.177 3.466 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153972656 1294035974 /nfs/dbraw/zinc/03/59/74/1294035974.db2.gz VKQCMAACDZEGQM-ZDUSSCGKSA-N 0 0 326.780 3.164 10 5 EGBERN O=C(OCCCc1cccnc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155001219 1294079498 /nfs/dbraw/zinc/07/94/98/1294079498.db2.gz PIWLRWYUEJYVOJ-UHFFFAOYSA-N 0 0 337.335 3.328 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000869929122 1295543387 /nfs/dbraw/zinc/54/33/87/1295543387.db2.gz RWROCSBCNQSGRU-PQUAAJSLSA-N 0 0 349.383 3.112 10 5 EGBERN CC(C)(C)n1cccc(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])c1=O ZINC000869979127 1295571943 /nfs/dbraw/zinc/57/19/43/1295571943.db2.gz XPZUUIRVSMAUJA-UHFFFAOYSA-N 0 0 348.330 3.008 10 5 EGBERN C[C@@H]1C[C@H](C(=O)OCCSc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000870278357 1295783675 /nfs/dbraw/zinc/78/36/75/1295783675.db2.gz KFQIAFJYTLDSMS-SUNKGSAMSA-N 0 0 325.386 3.044 10 5 EGBERN O=C(OCc1cc(F)ncc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870356954 1295833395 /nfs/dbraw/zinc/83/33/95/1295833395.db2.gz ZHMFMBCYQTUQHB-UHFFFAOYSA-N 0 0 348.305 3.433 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CCO[C@@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000870650777 1296000192 /nfs/dbraw/zinc/00/01/92/1296000192.db2.gz KYOBKJOTNFUNEJ-GFCCVEGCSA-N 0 0 348.733 3.053 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cnn3c2CCCC3)cc1Cl ZINC000870697887 1296026610 /nfs/dbraw/zinc/02/66/10/1296026610.db2.gz WVLFNNUVJHBPMQ-UHFFFAOYSA-N 0 0 334.763 3.342 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000870706044 1296031855 /nfs/dbraw/zinc/03/18/55/1296031855.db2.gz KFZWCCWFVUVIIL-SGMGOOAPSA-N 0 0 338.429 3.101 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)s1 ZINC000870827337 1296105064 /nfs/dbraw/zinc/10/50/64/1296105064.db2.gz YQUMASLRGIXVLM-UHFFFAOYSA-N 0 0 327.749 3.067 10 5 EGBERN CC(C)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCCO1 ZINC000871165516 1296253379 /nfs/dbraw/zinc/25/33/79/1296253379.db2.gz LYPXSJSLFDTMRO-AWEZNQCLSA-N 0 0 331.372 3.154 10 5 EGBERN C/C(=C\C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000871201937 1296271572 /nfs/dbraw/zinc/27/15/72/1296271572.db2.gz XUCLVYOPYOVDJO-FQQZZHAUSA-N 0 0 344.411 3.150 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000871223612 1296281877 /nfs/dbraw/zinc/28/18/77/1296281877.db2.gz YVXYHGXWMSYLIH-LBPRGKRZSA-N 0 0 335.379 3.359 10 5 EGBERN COc1cccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000871326313 1296350299 /nfs/dbraw/zinc/35/02/99/1296350299.db2.gz DIZHBEXUTQSWTR-CQSZACIVSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000871335792 1296359410 /nfs/dbraw/zinc/35/94/10/1296359410.db2.gz GFFPVXDMLPNPPM-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN O=C1O[C@H](COc2cc(Cl)c([N+](=O)[O-])cc2F)CC12CCC2 ZINC000871693512 1296483398 /nfs/dbraw/zinc/48/33/98/1296483398.db2.gz BRCOLFNZTGYRRP-QMMMGPOBSA-N 0 0 329.711 3.252 10 5 EGBERN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCCC1 ZINC000871693495 1296483853 /nfs/dbraw/zinc/48/38/53/1296483853.db2.gz BCPIDNFOPPPXKL-UHFFFAOYSA-N 0 0 330.743 3.169 10 5 EGBERN C/C(=C\c1ccc(Cl)cc1)C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000255279729 1296513985 /nfs/dbraw/zinc/51/39/85/1296513985.db2.gz IPISQTKNKBHBQO-PKNBQFBNSA-N 0 0 349.774 3.400 10 5 EGBERN COC(=O)Cc1ccccc1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084983 1296726083 /nfs/dbraw/zinc/72/60/83/1296726083.db2.gz MCUASYXWACRXDR-LBPRGKRZSA-N 0 0 346.358 3.300 10 5 EGBERN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872091700 1296729963 /nfs/dbraw/zinc/72/99/63/1296729963.db2.gz ZIRJZIBRPDRCOI-GTNSWQLSSA-N 0 0 343.358 3.098 10 5 EGBERN C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872091698 1296730320 /nfs/dbraw/zinc/73/03/20/1296730320.db2.gz ZIRJZIBRPDRCOI-DIFFPNOSSA-N 0 0 343.358 3.098 10 5 EGBERN Cc1c(CC(=O)N2CCCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000872290734 1296899289 /nfs/dbraw/zinc/89/92/89/1296899289.db2.gz AXRILXYBKBLVAB-UHFFFAOYSA-N 0 0 325.368 3.210 10 5 EGBERN CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000312235899 1297114497 /nfs/dbraw/zinc/11/44/97/1297114497.db2.gz MYBJROKQASZDDZ-VIFPVBQESA-N 0 0 342.193 3.157 10 5 EGBERN CC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000873343454 1297447850 /nfs/dbraw/zinc/44/78/50/1297447850.db2.gz QTCHKQUUWQWWSD-AWEZNQCLSA-N 0 0 333.365 3.322 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CCOC3(CCCC3)C2)c1 ZINC000873579955 1297605369 /nfs/dbraw/zinc/60/53/69/1297605369.db2.gz GYJSNVFKFGRANN-ZDUSSCGKSA-N 0 0 335.356 3.252 10 5 EGBERN CCOC(=O)[C@@H](CC)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000703803477 1298202913 /nfs/dbraw/zinc/20/29/13/1298202913.db2.gz QITZRMIYBVJMLC-SNVBAGLBSA-N 0 0 332.150 3.078 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000875625298 1298412123 /nfs/dbraw/zinc/41/21/23/1298412123.db2.gz HXSUWHFFTMMXDK-BBRMVZONSA-N 0 0 347.415 3.447 10 5 EGBERN COc1cc(Cl)c(Cl)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000877472110 1299322695 /nfs/dbraw/zinc/32/26/95/1299322695.db2.gz JVIJXHOIJRZUGG-UHFFFAOYSA-N 0 0 331.159 3.256 10 5 EGBERN C[C@H](NCc1csc(-c2ccn(C)n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000878355143 1299940690 /nfs/dbraw/zinc/94/06/90/1299940690.db2.gz FXYGMOMECJZQMA-NSHDSACASA-N 0 0 343.412 3.303 10 5 EGBERN CC(C)(C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878924581 1300264365 /nfs/dbraw/zinc/26/43/65/1300264365.db2.gz VOWANBDQZJDTRX-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN CCCC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CCC1 ZINC000879145733 1300398235 /nfs/dbraw/zinc/39/82/35/1300398235.db2.gz QHLFIXIXCUCOKG-UHFFFAOYSA-N 0 0 348.399 3.456 10 5 EGBERN O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000881269628 1301508499 /nfs/dbraw/zinc/50/84/99/1301508499.db2.gz IMBWWPSFZFUHEE-AWEZNQCLSA-N 0 0 347.758 3.156 10 5 EGBERN COc1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000881580318 1301625768 /nfs/dbraw/zinc/62/57/68/1301625768.db2.gz JYUHKXKARLBQOD-NSHDSACASA-N 0 0 328.315 3.159 10 5 EGBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000881690873 1301689535 /nfs/dbraw/zinc/68/95/35/1301689535.db2.gz KNDUOXKLCPZYJM-AWEZNQCLSA-N 0 0 346.305 3.005 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2nccs2)C1 ZINC000881697966 1301691711 /nfs/dbraw/zinc/69/17/11/1301691711.db2.gz BYOSVGIODBVIMJ-JTQLQIEISA-N 0 0 342.380 3.162 10 5 EGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000882445969 1301968811 /nfs/dbraw/zinc/96/88/11/1301968811.db2.gz AJZSSFJPYHUYPZ-YGRLFVJLSA-N 0 0 326.780 3.183 10 5 EGBERN O=C(NC1CCC2(COC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000882753147 1302090917 /nfs/dbraw/zinc/09/09/17/1302090917.db2.gz CHACYSKKLPPQQO-UHFFFAOYSA-N 0 0 346.408 3.499 10 5 EGBERN O=C(OC[C@H]1C[C@@]12CCOC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000884535675 1302900373 /nfs/dbraw/zinc/90/03/73/1302900373.db2.gz JDDCGYYGDOOJOA-QMTHXVAHSA-N 0 0 345.273 3.197 10 5 EGBERN CC(=O)c1c(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cccc1[N+](=O)[O-] ZINC000884699120 1302955423 /nfs/dbraw/zinc/95/54/23/1302955423.db2.gz XWJSMBVTOOUTBM-GNTLTTKYSA-N 0 0 348.399 3.182 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000884699717 1302956435 /nfs/dbraw/zinc/95/64/35/1302956435.db2.gz HDUAZGQVTIZCQH-JPHJHBEYSA-N 0 0 348.399 3.182 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000887183679 1303698746 /nfs/dbraw/zinc/69/87/46/1303698746.db2.gz GQBCFJAACBWXCN-YGRLFVJLSA-N 0 0 339.779 3.281 10 5 EGBERN Cc1c(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cccc1[N+](=O)[O-] ZINC000888819337 1304288342 /nfs/dbraw/zinc/28/83/42/1304288342.db2.gz PHXCNYBHPRBAFK-LIRRHRJNSA-N 0 0 337.379 3.450 10 5 EGBERN CC1(C)CO[C@@H](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000889470365 1304491572 /nfs/dbraw/zinc/49/15/72/1304491572.db2.gz OQUBUULITVNWLS-LBPRGKRZSA-N 0 0 326.780 3.070 10 5 EGBERN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000889470754 1304492324 /nfs/dbraw/zinc/49/23/24/1304492324.db2.gz WEKXNFWBOSGOSS-ZDUSSCGKSA-N 0 0 338.791 3.356 10 5 EGBERN O=C(Nc1ccnn1C1CCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000890362343 1304763979 /nfs/dbraw/zinc/76/39/79/1304763979.db2.gz SGRPUCURWGIBPC-LSDHHAIUSA-N 0 0 326.356 3.259 10 5 EGBERN Nc1c(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000892419659 1305362591 /nfs/dbraw/zinc/36/25/91/1305362591.db2.gz GSDUQBLMOOFCTO-MRXNPFEDSA-N 0 0 347.321 3.202 10 5 EGBERN O=C(OC/C=C/C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893212199 1305764786 /nfs/dbraw/zinc/76/47/86/1305764786.db2.gz YCWPFXIPTPMOSS-HNQUOIGGSA-N 0 0 347.245 3.031 10 5 EGBERN COCC1CC(OC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000893642143 1306002287 /nfs/dbraw/zinc/00/22/87/1306002287.db2.gz FGPXYADTFAYYTH-UHFFFAOYSA-N 0 0 342.351 3.239 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCSC[C@@H]1c1ccccc1 ZINC000893742709 1306059998 /nfs/dbraw/zinc/05/99/98/1306059998.db2.gz RNOBKXRDPBGWON-MRXNPFEDSA-N 0 0 343.408 3.310 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893858641 1306100888 /nfs/dbraw/zinc/10/08/88/1306100888.db2.gz RHMQAPCRUQQDGF-DGCLKSJQSA-N 0 0 340.807 3.492 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000894292366 1306324759 /nfs/dbraw/zinc/32/47/59/1306324759.db2.gz GFNKUADLGHMQSX-MLGOLLRUSA-N 0 0 328.372 3.035 10 5 EGBERN CSc1ccc(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894416974 1308868531 /nfs/dbraw/zinc/86/85/31/1308868531.db2.gz YZPBRARHTDXQOS-GFCCVEGCSA-N 0 0 336.413 3.006 10 5 EGBERN CSc1ccc(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894416976 1308868607 /nfs/dbraw/zinc/86/86/07/1308868607.db2.gz YZPBRARHTDXQOS-LBPRGKRZSA-N 0 0 336.413 3.006 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000894503447 1308927422 /nfs/dbraw/zinc/92/74/22/1308927422.db2.gz JJKCIXVVQGRYJY-CYBMUJFWSA-N 0 0 342.342 3.008 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000894530955 1308940253 /nfs/dbraw/zinc/94/02/53/1308940253.db2.gz QNNKJGOLTVGSQA-LBPRGKRZSA-N 0 0 338.791 3.327 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000894658767 1309007797 /nfs/dbraw/zinc/00/77/97/1309007797.db2.gz XKFJGUIFLQTFMO-KRWDZBQOSA-N 0 0 348.399 3.073 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000894699341 1309026755 /nfs/dbraw/zinc/02/67/55/1309026755.db2.gz DMTOKYSKKHTWNH-HOCLYGCPSA-N 0 0 348.399 3.023 10 5 EGBERN CC(C)c1ccc(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894706485 1309030198 /nfs/dbraw/zinc/03/01/98/1309030198.db2.gz XLKGVYZOSYXHCP-RHSMWYFYSA-N 0 0 332.400 3.359 10 5 EGBERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798982 1309525815 /nfs/dbraw/zinc/52/58/15/1309525815.db2.gz NKVXTWRQSGZVNJ-LBPRGKRZSA-N 0 0 344.392 3.108 10 5 EGBERN CC(=O)c1ccc(NCC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000896113390 1309705771 /nfs/dbraw/zinc/70/57/71/1309705771.db2.gz ZDEPDMWWUUEEQE-ZDUSSCGKSA-N 0 0 333.310 3.092 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000897562801 1310381121 /nfs/dbraw/zinc/38/11/21/1310381121.db2.gz RQYCZUPQTGBPOB-GJZGRUSLSA-N 0 0 332.400 3.440 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898406032 1310718721 /nfs/dbraw/zinc/71/87/21/1310718721.db2.gz PHGIEPIUAASNJT-SFHVURJKSA-N 0 0 337.379 3.286 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ncccn1 ZINC000898974433 1310895100 /nfs/dbraw/zinc/89/51/00/1310895100.db2.gz PVAOAGLHZBKUOH-DBTPVHCXSA-N 0 0 338.367 3.152 10 5 EGBERN Cc1c(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000929228879 1328543147 /nfs/dbraw/zinc/54/31/47/1328543147.db2.gz WFVDXEYCKHVNNN-CABZTGNLSA-N 0 0 332.278 3.342 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000857636792 1328571213 /nfs/dbraw/zinc/57/12/13/1328571213.db2.gz QPACNPFZYHNZHQ-UHFFFAOYSA-N 0 0 349.299 3.217 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCc3nc(C(C)C)ncc3C2)c1 ZINC000857875125 1328612120 /nfs/dbraw/zinc/61/21/20/1328612120.db2.gz WFNPVMAVBSEYHK-UHFFFAOYSA-N 0 0 346.362 3.219 10 5 EGBERN COc1cc(NC[C@@H]2CCc3cccnc32)c([N+](=O)[O-])cc1OC ZINC000857902315 1328619884 /nfs/dbraw/zinc/61/98/84/1328619884.db2.gz RUGNGOOJSRCNQQ-LBPRGKRZSA-N 0 0 329.356 3.149 10 5 EGBERN CCOc1cc(N2CC[C@@H](Oc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000858009304 1328655349 /nfs/dbraw/zinc/65/53/49/1328655349.db2.gz SHNPIECHGBVPND-OAHLLOKOSA-N 0 0 343.383 3.355 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)NCC(F)(F)F ZINC000899909882 1317199589 /nfs/dbraw/zinc/19/95/89/1317199589.db2.gz BSVQUIWFYKIVHD-ZDUSSCGKSA-N 0 0 347.337 3.408 10 5 EGBERN CN(Cc1ccc(Cl)nc1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929872415 1328726141 /nfs/dbraw/zinc/72/61/41/1328726141.db2.gz WAQLWJMZZXWALO-GJZGRUSLSA-N 0 0 345.786 3.405 10 5 EGBERN Cn1nccc1[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858359669 1328744456 /nfs/dbraw/zinc/74/44/56/1328744456.db2.gz ORNAHJYWJUYEJF-CQSZACIVSA-N 0 0 337.383 3.261 10 5 EGBERN C[C@@H]1CC2(CC(NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)CO1 ZINC000930160798 1328801138 /nfs/dbraw/zinc/80/11/38/1328801138.db2.gz ZTHCPWAHADNCPP-IWPPJYEWSA-N 0 0 339.779 3.327 10 5 EGBERN C[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)n1cccc1 ZINC000913385255 1319020251 /nfs/dbraw/zinc/02/02/51/1319020251.db2.gz UXUFAUWWNJBQLV-SNVBAGLBSA-N 0 0 339.754 3.456 10 5 EGBERN CC(=O)CC(C)(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384688 1319020311 /nfs/dbraw/zinc/02/03/11/1319020311.db2.gz BUCQQAPJUSPAOU-UHFFFAOYSA-N 0 0 344.770 3.399 10 5 EGBERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387424 1319022071 /nfs/dbraw/zinc/02/20/71/1319022071.db2.gz PLSBNXYJMZFVDC-QWRGUYRKSA-N 0 0 326.755 3.440 10 5 EGBERN O=C(CSC(F)(F)F)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913388125 1319023019 /nfs/dbraw/zinc/02/30/19/1319023019.db2.gz VQNQKEWEYGVBTA-UHFFFAOYSA-N 0 0 346.689 3.257 10 5 EGBERN O=C(NCC[C@H]1CCCS1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913716365 1319105288 /nfs/dbraw/zinc/10/52/88/1319105288.db2.gz KSOQRFFESUBFAV-SECBINFHSA-N 0 0 332.784 3.403 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1C(F)(F)F ZINC000913727679 1319108708 /nfs/dbraw/zinc/10/87/08/1319108708.db2.gz RATJAFMJJXDXRY-MWLCHTKSSA-N 0 0 336.697 3.248 10 5 EGBERN O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913799151 1319129110 /nfs/dbraw/zinc/12/91/10/1319129110.db2.gz YEDAXZDAZQNNLS-DFAYQTQMSA-N 0 0 342.754 3.075 10 5 EGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000858651136 1328817747 /nfs/dbraw/zinc/81/77/47/1328817747.db2.gz IAODKCCSFHBSLE-UPJWGTAASA-N 0 0 331.372 3.400 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000914238216 1319274457 /nfs/dbraw/zinc/27/44/57/1319274457.db2.gz APXXKLOFAUOHQX-MJEQTWJJSA-N 0 0 347.415 3.160 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000914288225 1319287006 /nfs/dbraw/zinc/28/70/06/1319287006.db2.gz CWAAHTSRKSRQIR-UHFFFAOYSA-N 0 0 348.371 3.113 10 5 EGBERN COC(=O)/C=C/c1ccc(S[C@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000858677379 1328827330 /nfs/dbraw/zinc/82/73/30/1328827330.db2.gz WLUPPFPINYDFDF-HOSRBBHYSA-N 0 0 337.397 3.441 10 5 EGBERN Cn1c(SCOC(=O)C2CC2)nc2cc3ccccc3cc2c1=O ZINC000916202434 1319619321 /nfs/dbraw/zinc/61/93/21/1319619321.db2.gz AOBBXBRYCZYMMJ-UHFFFAOYSA-N 0 0 340.404 3.090 10 5 EGBERN CC(=O)NCCCCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000916766034 1319706964 /nfs/dbraw/zinc/70/69/64/1319706964.db2.gz DWSDSSMYPHQNPB-UHFFFAOYSA-N 0 0 334.294 3.299 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000858736337 1328846384 /nfs/dbraw/zinc/84/63/84/1328846384.db2.gz NXKDFLAELWNXPR-CYBMUJFWSA-N 0 0 332.356 3.251 10 5 EGBERN CC(C)c1nsc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)n1 ZINC000917789363 1319871964 /nfs/dbraw/zinc/87/19/64/1319871964.db2.gz ORWKDDFPROOUGW-UHFFFAOYSA-N 0 0 348.363 3.016 10 5 EGBERN O=C(/C=C/c1cnc2ccccc2n1)OCc1csc([N+](=O)[O-])c1 ZINC000918886821 1322007897 /nfs/dbraw/zinc/00/78/97/1322007897.db2.gz LZWLDZRASSYKHK-AATRIKPKSA-N 0 0 341.348 3.356 10 5 EGBERN CCOc1cc(CS(=O)(=O)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000919201049 1322037908 /nfs/dbraw/zinc/03/79/08/1322037908.db2.gz HDQGLAKMJUCSRL-UHFFFAOYSA-N 0 0 335.381 3.276 10 5 EGBERN CC(C)[NH+](CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000920963819 1322239018 /nfs/dbraw/zinc/23/90/18/1322239018.db2.gz NCLUVMXLXCTWAQ-VURMDHGXSA-N 0 0 335.404 3.223 10 5 EGBERN C[C@]1(c2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000920967714 1322240382 /nfs/dbraw/zinc/24/03/82/1322240382.db2.gz VDAAORFCPSUCEJ-GOSISDBHSA-N 0 0 343.358 3.468 10 5 EGBERN O=C(NC[C@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859552619 1329015255 /nfs/dbraw/zinc/01/52/55/1329015255.db2.gz BAFPSQCTDVNBNR-WFASDCNBSA-N 0 0 328.368 3.029 10 5 EGBERN Cc1sc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922319446 1322499635 /nfs/dbraw/zinc/49/96/35/1322499635.db2.gz DTUPKNNRIXJPRC-OIBJUYFYSA-N 0 0 339.291 3.231 10 5 EGBERN CC(F)(F)CCCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000922344725 1322506494 /nfs/dbraw/zinc/50/64/94/1322506494.db2.gz KESONOSGBUKHOG-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN Cc1cc(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)cc([N+](=O)[O-])c1 ZINC000922387938 1322515012 /nfs/dbraw/zinc/51/50/12/1322515012.db2.gz NIKZQSPQEGSOBL-NEPJUHHUSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(COC(=O)C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000859610399 1329033728 /nfs/dbraw/zinc/03/37/28/1329033728.db2.gz IESMGONQKOZTNE-UHFFFAOYSA-N 0 0 345.273 3.285 10 5 EGBERN C[C@@H](NC(=O)NCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922649237 1322579465 /nfs/dbraw/zinc/57/94/65/1322579465.db2.gz LGMDSQFXDZNNRA-CYBMUJFWSA-N 0 0 335.404 3.162 10 5 EGBERN COc1cccc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000922655458 1322581141 /nfs/dbraw/zinc/58/11/41/1322581141.db2.gz OJBXQWDJWHGVAG-GUDFOSOFSA-N 0 0 327.283 3.052 10 5 EGBERN CCO[C@@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000859631297 1329040348 /nfs/dbraw/zinc/04/03/48/1329040348.db2.gz PSHBGWBAGMJXQD-ZDUSSCGKSA-N 0 0 345.298 3.168 10 5 EGBERN CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859637222 1329041775 /nfs/dbraw/zinc/04/17/75/1329041775.db2.gz JVQIIELWCPFYON-KZULUSFZSA-N 0 0 330.384 3.275 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000923125085 1322697563 /nfs/dbraw/zinc/69/75/63/1322697563.db2.gz XYFNYLDVEJXAJY-WQVCFCJDSA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000923125084 1322697587 /nfs/dbraw/zinc/69/75/87/1322697587.db2.gz XYFNYLDVEJXAJY-UHOFOFEASA-N 0 0 335.404 3.303 10 5 EGBERN Cc1nccc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000923594004 1322779558 /nfs/dbraw/zinc/77/95/58/1322779558.db2.gz FKENTERYBPHMDS-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC1CCOCC1 ZINC000923594953 1322779792 /nfs/dbraw/zinc/77/97/92/1322779792.db2.gz OWACTONABSCJPL-UHFFFAOYSA-N 0 0 327.764 3.151 10 5 EGBERN CCc1[nH]nc(C(=O)N(c2ccc(C)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000923651473 1322786986 /nfs/dbraw/zinc/78/69/86/1322786986.db2.gz DXHZUDAIWBKCGT-UHFFFAOYSA-N 0 0 328.372 3.388 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC000923910085 1322844251 /nfs/dbraw/zinc/84/42/51/1322844251.db2.gz JDSZCJMHWLNMAF-OAHLLOKOSA-N 0 0 349.431 3.392 10 5 EGBERN Cc1nc(CCOC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000923965806 1322858468 /nfs/dbraw/zinc/85/84/68/1322858468.db2.gz ZQKKQDPZRHONQU-UHFFFAOYSA-N 0 0 338.360 3.217 10 5 EGBERN CO[C@@](C)(c1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1)C1CC1 ZINC000924076045 1322891151 /nfs/dbraw/zinc/89/11/51/1322891151.db2.gz RWFVRYQTPOTVGT-MRXNPFEDSA-N 0 0 335.335 3.174 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000924238770 1322948423 /nfs/dbraw/zinc/94/84/23/1322948423.db2.gz FXVJEVRVENSPCT-SLEUVZQESA-N 0 0 339.775 3.292 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000924342980 1322989433 /nfs/dbraw/zinc/98/94/33/1322989433.db2.gz KGWPCODDLHLUGC-WBVHZDCISA-N 0 0 331.416 3.215 10 5 EGBERN C[C@@H](CC(F)(F)F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859717931 1329062709 /nfs/dbraw/zinc/06/27/09/1329062709.db2.gz QNACTLNLTONFBS-ZETCQYMHSA-N 0 0 337.225 3.048 10 5 EGBERN O=C(COC(=O)C1CCC2(CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000859748853 1329070616 /nfs/dbraw/zinc/07/06/16/1329070616.db2.gz PXYCWEPDFJQFSC-UHFFFAOYSA-N 0 0 335.331 3.430 10 5 EGBERN O=C(OCCO[C@H]1CC1(F)F)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811768 1329083631 /nfs/dbraw/zinc/08/36/31/1329083631.db2.gz UHXCPABWGCMYFB-AWEZNQCLSA-N 0 0 337.278 3.329 10 5 EGBERN CCCn1ccc2cc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])ccc21 ZINC000931268593 1329082418 /nfs/dbraw/zinc/08/24/18/1329082418.db2.gz CKFKZLAYBHBVKG-UHFFFAOYSA-N 0 0 341.371 3.103 10 5 EGBERN O=c1ccc([C@H]2CCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000859890181 1329107029 /nfs/dbraw/zinc/10/70/29/1329107029.db2.gz JNHMMLNIWPJRLB-CQSZACIVSA-N 0 0 334.763 3.081 10 5 EGBERN O=c1ccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000859891155 1329107287 /nfs/dbraw/zinc/10/72/87/1329107287.db2.gz YRTKGLGKJLANCJ-CQSZACIVSA-N 0 0 334.763 3.081 10 5 EGBERN C[C@@H](CNC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000931437575 1329117698 /nfs/dbraw/zinc/11/76/98/1329117698.db2.gz SVHHAYPTFZQBOH-TVQRCGJNSA-N 0 0 345.321 3.338 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000931496671 1329131111 /nfs/dbraw/zinc/13/11/11/1329131111.db2.gz WYKXSHYHLMRSBE-ZBFHGGJFSA-N 0 0 333.388 3.236 10 5 EGBERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860065541 1329139166 /nfs/dbraw/zinc/13/91/66/1329139166.db2.gz AXTZVCFTJPQNSG-NXHRZFHOSA-N 0 0 340.379 3.435 10 5 EGBERN O=C(NCC1(CCO)CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860261140 1329184547 /nfs/dbraw/zinc/18/45/47/1329184547.db2.gz QFDKNQJXORHVAX-UHFFFAOYSA-N 0 0 328.368 3.031 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC000860263570 1329184865 /nfs/dbraw/zinc/18/48/65/1329184865.db2.gz WBWNSCJTZLPFTO-FZMZJTMJSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925248384 1325096342 /nfs/dbraw/zinc/09/63/42/1325096342.db2.gz XJQJOUXNRKKYIK-YGRLFVJLSA-N 0 0 325.315 3.097 10 5 EGBERN C[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860555229 1329330198 /nfs/dbraw/zinc/33/01/98/1329330198.db2.gz GOYMYYJDYLMEEB-STQMWFEESA-N 0 0 328.368 3.293 10 5 EGBERN COC1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860595432 1329334145 /nfs/dbraw/zinc/33/41/45/1329334145.db2.gz UJCNKEDWHVEKJQ-UHFFFAOYSA-N 0 0 328.368 3.389 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCOC1 ZINC000860681441 1329343845 /nfs/dbraw/zinc/34/38/45/1329343845.db2.gz NUEOQLNSFRZHPW-GXTWGEPZSA-N 0 0 328.368 3.293 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccns1 ZINC000861056162 1329382968 /nfs/dbraw/zinc/38/29/68/1329382968.db2.gz CETYVFZGLUBNQQ-SECBINFHSA-N 0 0 336.373 3.333 10 5 EGBERN Cc1cc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(C)nn1 ZINC000861060297 1329383560 /nfs/dbraw/zinc/38/35/60/1329383560.db2.gz KGQKKYBOWJLKGB-UHFFFAOYSA-N 0 0 347.346 3.162 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000927236914 1327925541 /nfs/dbraw/zinc/92/55/41/1327925541.db2.gz QNDLUGDTNFQRFL-RYUDHWBXSA-N 0 0 337.445 3.413 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928139042 1328213268 /nfs/dbraw/zinc/21/32/68/1328213268.db2.gz QVMYTAXTFUUOPQ-LBPRGKRZSA-N 0 0 348.346 3.034 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000928189822 1328227369 /nfs/dbraw/zinc/22/73/69/1328227369.db2.gz UYVYJCWKHMFQLM-LLVKDONJSA-N 0 0 348.790 3.002 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928281522 1328275211 /nfs/dbraw/zinc/27/52/11/1328275211.db2.gz ZGWLPLJBQYVWDL-SNVBAGLBSA-N 0 0 337.426 3.208 10 5 EGBERN C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000928389689 1328304552 /nfs/dbraw/zinc/30/45/52/1328304552.db2.gz XFGJCERFHOURCM-GUYCJALGSA-N 0 0 325.368 3.398 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ncccn1)C1CC1 ZINC000928581217 1328361099 /nfs/dbraw/zinc/36/10/99/1328361099.db2.gz LUQVDRQGGOICGL-LPQFERQCSA-N 0 0 338.367 3.056 10 5 EGBERN C/C(=C/C(=O)N[C@@H](c1ncccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928582282 1328362431 /nfs/dbraw/zinc/36/24/31/1328362431.db2.gz TXVFSTRNYNTUBZ-WFTPILKQSA-N 0 0 338.367 3.056 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cc(F)ccc1OC ZINC000928779751 1328435177 /nfs/dbraw/zinc/43/51/77/1328435177.db2.gz QOEFNCZRTQAKSS-CYBMUJFWSA-N 0 0 333.319 3.019 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000861445805 1329418792 /nfs/dbraw/zinc/41/87/92/1329418792.db2.gz NXNOOODAETWSCL-QNWHQSFQSA-N 0 0 345.273 3.166 10 5 EGBERN CC(C)(NC(=O)[C@H]1C[C@]1(C)Br)c1ccccc1[N+](=O)[O-] ZINC000861814688 1329443041 /nfs/dbraw/zinc/44/30/41/1329443041.db2.gz TYLPTUJHGLGXRO-YGRLFVJLSA-N 0 0 341.205 3.120 10 5 EGBERN COC1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC1 ZINC000861850052 1329445635 /nfs/dbraw/zinc/44/56/35/1329445635.db2.gz ZMJMBGKZXHCHPC-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN COC[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861861051 1329446292 /nfs/dbraw/zinc/44/62/92/1329446292.db2.gz DWNMMOZDJJWWCN-GOSISDBHSA-N 0 0 328.368 3.247 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000861896098 1329448910 /nfs/dbraw/zinc/44/89/10/1329448910.db2.gz HTUUCPMBXYNMRZ-SMDDNHRTSA-N 0 0 340.807 3.429 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CCCOC1 ZINC000862129093 1329460663 /nfs/dbraw/zinc/46/06/63/1329460663.db2.gz MJOKPTULEWCFJW-CQSZACIVSA-N 0 0 328.368 3.389 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862162058 1329463364 /nfs/dbraw/zinc/46/33/64/1329463364.db2.gz IEIRXDQRHTUFBI-LLVKDONJSA-N 0 0 326.780 3.183 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862686321 1329502919 /nfs/dbraw/zinc/50/29/19/1329502919.db2.gz PUDFMBJXRIIMCT-KPZWWZAWSA-N 0 0 326.352 3.045 10 5 EGBERN Cc1c(C(=O)NCC[C@@H]2CC=CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862946618 1329519251 /nfs/dbraw/zinc/51/92/51/1329519251.db2.gz ACOYZWRNONQXJW-GFCCVEGCSA-N 0 0 333.344 3.288 10 5 EGBERN C/C(=C\C(=O)NCC(=O)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863062700 1329527233 /nfs/dbraw/zinc/52/72/33/1329527233.db2.gz SSCKSKHJBNDVMR-ACCUITESSA-N 0 0 330.384 3.264 10 5 EGBERN C/C=C\C[C@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339542 1329548379 /nfs/dbraw/zinc/54/83/79/1329548379.db2.gz DAZFWUVYKCSDAR-ZRMMWKCHSA-N 0 0 331.372 3.138 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)OCC(F)(F)F ZINC000863844424 1329585015 /nfs/dbraw/zinc/58/50/15/1329585015.db2.gz DWGKIWIPSCIGFI-NSHDSACASA-N 0 0 334.294 3.116 10 5 EGBERN Cc1cc(Cl)c(C(=O)N(C)OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000863846162 1329585248 /nfs/dbraw/zinc/58/52/48/1329585248.db2.gz PBTNPCOUUIDZGQ-UHFFFAOYSA-N 0 0 326.658 3.123 10 5 EGBERN COC(=O)c1ccccc1N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000864001678 1329593579 /nfs/dbraw/zinc/59/35/79/1329593579.db2.gz XZYKTTXATAGNRH-UHFFFAOYSA-N 0 0 348.330 3.166 10 5 EGBERN O=[N+]([O-])c1cc(CNc2cccc(-n3nccn3)c2)ccc1Cl ZINC000864033165 1329594520 /nfs/dbraw/zinc/59/45/20/1329594520.db2.gz PBYOGEYIFLKXJB-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2c[nH]nc21 ZINC000864090883 1329597244 /nfs/dbraw/zinc/59/72/44/1329597244.db2.gz CZLUWOCBOVBVTK-LLVKDONJSA-N 0 0 339.355 3.092 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865084067 1329667958 /nfs/dbraw/zinc/66/79/58/1329667958.db2.gz SDQGUCUHXMPUNT-OAHLLOKOSA-N 0 0 344.342 3.225 10 5 EGBERN CC1(C)CC[C@@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)OC1 ZINC000865353654 1329688532 /nfs/dbraw/zinc/68/85/32/1329688532.db2.gz JANDUGITVMAWRY-HNNXBMFYSA-N 0 0 343.383 3.024 10 5 EGBERN CCS(=O)(=O)C[C@@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865539694 1329710940 /nfs/dbraw/zinc/71/09/40/1329710940.db2.gz YJFNILWAMHHYSY-SSDOTTSWSA-N 0 0 341.216 3.137 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000866040031 1330058398 /nfs/dbraw/zinc/05/83/98/1330058398.db2.gz JVNOXHVNMJFACS-UHFFFAOYSA-N 0 0 346.774 3.164 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000866052883 1330059823 /nfs/dbraw/zinc/05/98/23/1330059823.db2.gz NKGRTQWKKHVUEP-UKRRQHHQSA-N 0 0 333.775 3.346 10 5 EGBERN NC(=O)c1ccc(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000866178081 1330073967 /nfs/dbraw/zinc/07/39/67/1330073967.db2.gz MIKUPHRRIFFMBG-WDEREUQCSA-N 0 0 343.305 3.250 10 5 EGBERN COc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000866232302 1330081438 /nfs/dbraw/zinc/08/14/38/1330081438.db2.gz DHJIDXPCGBAJSA-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccccc1[C@H]1CN(c2c(OC)cccc2[N+](=O)[O-])CCO1 ZINC000866233408 1330081604 /nfs/dbraw/zinc/08/16/04/1330081604.db2.gz MSQSVJCMLRTEKU-QGZVFWFLSA-N 0 0 344.367 3.190 10 5 EGBERN COc1ccc([C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCO2)cc1 ZINC000866235660 1330082738 /nfs/dbraw/zinc/08/27/38/1330082738.db2.gz IVZDLCNNTVGYLB-HNNXBMFYSA-N 0 0 349.774 3.230 10 5 EGBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2c(Cl)cncc2[N+](=O)[O-])no1 ZINC000866248116 1330085094 /nfs/dbraw/zinc/08/50/94/1330085094.db2.gz LEYRXEUNKGRFAD-FGWVZKOKSA-N 0 0 349.778 3.250 10 5 EGBERN COc1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC000866248279 1330085224 /nfs/dbraw/zinc/08/52/24/1330085224.db2.gz CVHACQFCUQJPJQ-CXAGYDPISA-N 0 0 332.331 3.165 10 5 EGBERN Cc1c(Br)c(N2CC(OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000866279112 1330089938 /nfs/dbraw/zinc/08/99/38/1330089938.db2.gz IZGLJDCQRURQAK-UHFFFAOYSA-N 0 0 344.209 3.064 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866374825 1330103338 /nfs/dbraw/zinc/10/33/38/1330103338.db2.gz OKKABSQPSIRXTB-MNSPSGFLSA-N 0 0 332.400 3.286 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000866853586 1330152526 /nfs/dbraw/zinc/15/25/26/1330152526.db2.gz GKVBUUKNDZQZBN-KOHRHEQBSA-N 0 0 344.411 3.291 10 5 EGBERN C[C@]1(c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)CCCO1 ZINC000866959066 1330160810 /nfs/dbraw/zinc/16/08/10/1330160810.db2.gz ZMPZNJYAKUIVFG-MRXNPFEDSA-N 0 0 329.356 3.473 10 5 EGBERN CCCCN(c1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867628412 1330211713 /nfs/dbraw/zinc/21/17/13/1330211713.db2.gz ZZNJHFBMTHXCQG-UHFFFAOYSA-N 0 0 341.414 3.047 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2cccnc2)C1 ZINC000869054681 1330403992 /nfs/dbraw/zinc/40/39/92/1330403992.db2.gz HCNQXYKPGGJRHJ-CGQZWFTASA-N 0 0 337.379 3.409 10 5 EGBERN Cc1ccc(CNC(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000869055081 1330404378 /nfs/dbraw/zinc/40/43/78/1330404378.db2.gz PLZPNPBXPJCPOU-AWEZNQCLSA-N 0 0 347.415 3.146 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000869055119 1330404504 /nfs/dbraw/zinc/40/45/04/1330404504.db2.gz QYMCGZVKJFZZGU-HNNXBMFYSA-N 0 0 335.404 3.002 10 5 EGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)C(C)(C)C ZINC000869457560 1330503938 /nfs/dbraw/zinc/50/39/38/1330503938.db2.gz LBMQSQSGDMSTFP-JTQLQIEISA-N 0 0 330.340 3.304 10 5 EGBERN COCCNc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000869632275 1330537469 /nfs/dbraw/zinc/53/74/69/1330537469.db2.gz UMYIBDFBQYJFPS-UHFFFAOYSA-N 0 0 336.369 3.072 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000869702911 1330548689 /nfs/dbraw/zinc/54/86/89/1330548689.db2.gz XXHWCDODIYNECF-CXAGYDPISA-N 0 0 333.340 3.005 10 5 EGBERN CC(C)(C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000869715071 1330551397 /nfs/dbraw/zinc/55/13/97/1330551397.db2.gz LOBZYRAEWXNILN-AWEZNQCLSA-N 0 0 325.336 3.372 10 5 EGBERN C[C@@H]1C[C@]1(C(=O)OCc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000869756710 1330560343 /nfs/dbraw/zinc/56/03/43/1330560343.db2.gz XGVXTLMHBAZUHP-PSLIRLAXSA-N 0 0 341.385 3.067 10 5 EGBERN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccco1 ZINC000869787401 1330564000 /nfs/dbraw/zinc/56/40/00/1330564000.db2.gz IFSIZNGPFZVOOM-MRXNPFEDSA-N 0 0 348.330 3.315 10 5 EGBERN CCOc1cc(COC(=O)[C@@H]2C[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000869798065 1330565833 /nfs/dbraw/zinc/56/58/33/1330565833.db2.gz RIOJXMGMIZGTQI-LSDHHAIUSA-N 0 0 349.383 3.099 10 5 EGBERN Cc1noc(C)c1CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811661 1330569383 /nfs/dbraw/zinc/56/93/83/1330569383.db2.gz SFLPTCNKNAPONR-UHFFFAOYSA-N 0 0 344.367 3.407 10 5 EGBERN C[C@H](OC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000869855145 1330576745 /nfs/dbraw/zinc/57/67/45/1330576745.db2.gz LWBSWTLHZASKTJ-RYUDHWBXSA-N 0 0 329.356 3.292 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3cscn3)c2c1 ZINC001185007955 1387588934 /nfs/dbraw/zinc/58/89/34/1387588934.db2.gz UACAXPWDWGFKNI-UHFFFAOYSA-N 0 0 330.369 3.245 10 5 EGBERN O=C(c1c[nH]c2cccc(F)c12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324544701 1387664523 /nfs/dbraw/zinc/66/45/23/1387664523.db2.gz ZQYUYJXBJOXFOO-UHFFFAOYSA-N 0 0 325.299 3.371 10 5 EGBERN Nc1nc(NCCCc2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001185620367 1387762201 /nfs/dbraw/zinc/76/22/01/1387762201.db2.gz IFLCROMIJIAKMH-UHFFFAOYSA-N 0 0 342.186 3.319 10 5 EGBERN O=[N+]([O-])c1cn(Cc2c(F)cccc2F)nc1-c1ccc(F)cn1 ZINC001189423401 1367017679 /nfs/dbraw/zinc/01/76/79/1367017679.db2.gz GJFCFWRZRKBGPG-UHFFFAOYSA-N 0 0 334.257 3.319 10 5 EGBERN Cc1ccc(N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC001192451738 1367785329 /nfs/dbraw/zinc/78/53/29/1367785329.db2.gz ATYDLLHODAPLHK-UHFFFAOYSA-N 0 0 329.375 3.365 10 5 EGBERN COC(=O)/C=C\c1ccc(OC)c(Oc2ncc([N+](=O)[O-])cc2F)c1 ZINC001186358770 1387929038 /nfs/dbraw/zinc/92/90/38/1387929038.db2.gz ILPDGRRSYHISFM-XQRVVYSFSA-N 0 0 348.286 3.116 10 5 EGBERN Cc1cc(NC2CN(C(=O)OCc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001186675789 1387997460 /nfs/dbraw/zinc/99/74/60/1387997460.db2.gz PPKITEJMHSLANJ-UHFFFAOYSA-N 0 0 347.396 3.398 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3(CCCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001186690163 1387997975 /nfs/dbraw/zinc/99/79/75/1387997975.db2.gz YZDPRQSNZYAXQT-OAHLLOKOSA-N 0 0 347.415 3.490 10 5 EGBERN Cc1c(Br)cccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001186843888 1388013617 /nfs/dbraw/zinc/01/36/17/1388013617.db2.gz BGCNGVKZGSETLO-UHFFFAOYSA-N 0 0 338.161 3.378 10 5 EGBERN C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001187141942 1388057869 /nfs/dbraw/zinc/05/78/69/1388057869.db2.gz YZLNCVCWZOAORG-SNVBAGLBSA-N 0 0 327.356 3.401 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC001187169005 1388062799 /nfs/dbraw/zinc/06/27/99/1388062799.db2.gz VHMVIPKODLTRIX-UNXYVOJBSA-N 0 0 339.367 3.495 10 5 EGBERN COC(=O)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001187224096 1388076083 /nfs/dbraw/zinc/07/60/83/1388076083.db2.gz AYOQGAFEFHBRKM-ZDUSSCGKSA-N 0 0 330.315 3.011 10 5 EGBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001187282389 1388086763 /nfs/dbraw/zinc/08/67/63/1388086763.db2.gz VZNDPKMMIUXUCX-ANLVUFKYSA-N 0 0 332.200 3.337 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001187306313 1388091833 /nfs/dbraw/zinc/09/18/33/1388091833.db2.gz POQAMHZDFDNHRM-SMDDNHRTSA-N 0 0 330.306 3.212 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cccc(C(F)F)c3)cc2N1 ZINC001116705725 1370960431 /nfs/dbraw/zinc/96/04/31/1370960431.db2.gz RHRHWYZEBFAEIY-UHFFFAOYSA-N 0 0 349.293 3.475 10 5 EGBERN C=COc1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC001206173672 1370980062 /nfs/dbraw/zinc/98/00/62/1370980062.db2.gz SJIZBRLPOJARON-UHFFFAOYSA-N 0 0 342.355 3.351 10 5 EGBERN Cc1cccc(OCc2nnc(-c3cc([N+](=O)[O-])cnc3C)o2)c1 ZINC001326080463 1388109973 /nfs/dbraw/zinc/10/99/73/1388109973.db2.gz GEUBNQVLWCXVSX-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN CCc1nc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)c(C)o1 ZINC001118365018 1371166650 /nfs/dbraw/zinc/16/66/50/1371166650.db2.gz BXUQYFDFCAXIAZ-UHFFFAOYSA-N 0 0 330.300 3.083 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001118928069 1371251673 /nfs/dbraw/zinc/25/16/73/1371251673.db2.gz IVFDIIZOVYWLJB-GXSJLCMTSA-N 0 0 336.779 3.195 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC001119047151 1371268976 /nfs/dbraw/zinc/26/89/76/1371268976.db2.gz ZVVMYTGTHJQCRP-AMXGMDGSSA-N 0 0 333.171 3.197 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001187558890 1388126144 /nfs/dbraw/zinc/12/61/44/1388126144.db2.gz MBHCANAGUAAXMB-KCJUWKMLSA-N 0 0 349.265 3.415 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1c2ccccc2OC[C@@H]1F ZINC001187586471 1388127704 /nfs/dbraw/zinc/12/77/04/1388127704.db2.gz NYKZABRJMHYISU-GUYCJALGSA-N 0 0 339.326 3.449 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(F)cc1 ZINC001187797952 1388165470 /nfs/dbraw/zinc/16/54/70/1388165470.db2.gz GBLVKWGPHYXZIO-SNVBAGLBSA-N 0 0 338.360 3.311 10 5 EGBERN O=C1Nc2ccc(F)cc2C2(CN(c3sccc3[N+](=O)[O-])C2)O1 ZINC001187852672 1388178000 /nfs/dbraw/zinc/17/80/00/1388178000.db2.gz RPVWXSPRJVNGFL-UHFFFAOYSA-N 0 0 335.316 3.073 10 5 EGBERN CC(C)[C@H]1COCC[C@H]1OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001123238276 1372404302 /nfs/dbraw/zinc/40/43/02/1372404302.db2.gz FGNKUEIUNSNPCE-GDBMZVCRSA-N 0 0 339.363 3.271 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001123263962 1372410204 /nfs/dbraw/zinc/41/02/04/1372410204.db2.gz KOVIKHZSRDSLFJ-HOTGVXAUSA-N 0 0 333.388 3.469 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@](C)(C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001123359211 1372441381 /nfs/dbraw/zinc/44/13/81/1372441381.db2.gz GLZQXGWZNCKLBW-ZDUSSCGKSA-N 0 0 347.293 3.088 10 5 EGBERN CC1(C)C[C@H](COC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001123374457 1372445946 /nfs/dbraw/zinc/44/59/46/1372445946.db2.gz BWUOWJZLFNXLJP-WQVCFCJDSA-N 0 0 333.384 3.447 10 5 EGBERN C[C@H](c1nnc(N2Cc3ccccc3[C@@H]2C)n1CC1CC1)[N+](=O)[O-] ZINC001123415239 1372460243 /nfs/dbraw/zinc/46/02/43/1372460243.db2.gz OJQTWDCVZDFKPZ-NWDGAFQWSA-N 0 0 327.388 3.107 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001123487801 1372487587 /nfs/dbraw/zinc/48/75/87/1372487587.db2.gz VAPFURRGOSGTDD-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@]2(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC001124020779 1372659297 /nfs/dbraw/zinc/65/92/97/1372659297.db2.gz ZSRQYBQSOSJDOM-IBGZPJMESA-N 0 0 340.379 3.027 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001124036973 1372662306 /nfs/dbraw/zinc/66/23/06/1372662306.db2.gz UPQUHKFFWIANHC-RISCZKNCSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCCC[C@]12CCCOC2 ZINC001124131147 1372678279 /nfs/dbraw/zinc/67/82/79/1372678279.db2.gz IAWQQDTWEKMFBZ-GOSISDBHSA-N 0 0 343.383 3.251 10 5 EGBERN Cc1cc(C)c(OC(=O)c2nn(C)c3ccccc23)c([N+](=O)[O-])c1 ZINC001124516809 1372708052 /nfs/dbraw/zinc/70/80/52/1372708052.db2.gz JJOCCTPIALWOHP-UHFFFAOYSA-N 0 0 325.324 3.318 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(OC(F)F)nc1 ZINC001124748334 1372727472 /nfs/dbraw/zinc/72/74/72/1372727472.db2.gz VZGBQOSNAQJXDI-UHFFFAOYSA-N 0 0 345.208 3.122 10 5 EGBERN CSc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC001124747201 1372727837 /nfs/dbraw/zinc/72/78/37/1372727837.db2.gz BFFSQTIDNBZKIA-UHFFFAOYSA-N 0 0 325.296 3.242 10 5 EGBERN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC001125169299 1372757693 /nfs/dbraw/zinc/75/76/93/1372757693.db2.gz YBMMDBCYZGDDKW-KGLIPLIRSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001125257432 1372764223 /nfs/dbraw/zinc/76/42/23/1372764223.db2.gz JXFHPJSAXDDGLL-UHFFFAOYSA-N 0 0 342.282 3.401 10 5 EGBERN CC(C)(C)c1ccc([C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001125289428 1372766806 /nfs/dbraw/zinc/76/68/06/1372766806.db2.gz JIOPIZFXKLZESX-UPJWGTAASA-N 0 0 344.333 3.369 10 5 EGBERN Cc1c(OC(=O)C2=Cc3cc(F)ccc3OC2)cccc1[N+](=O)[O-] ZINC001125298892 1372768161 /nfs/dbraw/zinc/76/81/61/1372768161.db2.gz ZZFUFVFWNVWQKT-UHFFFAOYSA-N 0 0 329.283 3.424 10 5 EGBERN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001125389988 1372780709 /nfs/dbraw/zinc/78/07/09/1372780709.db2.gz OMMHMIDKGPCJNG-IXDOHACOSA-N 0 0 344.798 3.405 10 5 EGBERN CS(C)(=O)=Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC001125418107 1372784440 /nfs/dbraw/zinc/78/44/40/1372784440.db2.gz ADNGUZODTAYYCE-UHFFFAOYSA-N 0 0 348.380 3.311 10 5 EGBERN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F ZINC001125618822 1372820306 /nfs/dbraw/zinc/82/03/06/1372820306.db2.gz HSMYDNSYFDPQCW-UHFFFAOYSA-N 0 0 346.314 3.172 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001126148699 1372943302 /nfs/dbraw/zinc/94/33/02/1372943302.db2.gz VHPYQHHAHYNDIE-HOTGVXAUSA-N 0 0 349.350 3.122 10 5 EGBERN COC[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C ZINC001126230967 1372950731 /nfs/dbraw/zinc/95/07/31/1372950731.db2.gz XQZFFWPAUKXFPM-HNNXBMFYSA-N 0 0 343.383 3.058 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC001126262086 1372953216 /nfs/dbraw/zinc/95/32/16/1372953216.db2.gz GYDLOJFCNMCBCI-LLVKDONJSA-N 0 0 330.315 3.470 10 5 EGBERN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001126278382 1372953652 /nfs/dbraw/zinc/95/36/52/1372953652.db2.gz ZHGMNRMOVKXDKP-XNJGSVPQSA-N 0 0 345.399 3.173 10 5 EGBERN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H](C)C1 ZINC001126303054 1372955305 /nfs/dbraw/zinc/95/53/05/1372955305.db2.gz HCTOGMMKIWIULC-YIFBXAAPSA-N 0 0 346.383 3.456 10 5 EGBERN CC1(C)CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001126489410 1372969146 /nfs/dbraw/zinc/96/91/46/1372969146.db2.gz SUWRQIHAVZKBAZ-MRXNPFEDSA-N 0 0 345.399 3.173 10 5 EGBERN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC001126683563 1372997596 /nfs/dbraw/zinc/99/75/96/1372997596.db2.gz ZFWFJLDQGAUBFM-AWEZNQCLSA-N 0 0 344.371 3.469 10 5 EGBERN O=C(Nc1ccnc2ccncc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126706244 1373001971 /nfs/dbraw/zinc/00/19/71/1373001971.db2.gz YHKYDWOMPJLJNE-UHFFFAOYSA-N 0 0 348.362 3.020 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001126707277 1373002782 /nfs/dbraw/zinc/00/27/82/1373002782.db2.gz HBUZTVTVQRNFDV-UHFFFAOYSA-N 0 0 330.300 3.076 10 5 EGBERN COC(=O)Cc1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001126904975 1373049827 /nfs/dbraw/zinc/04/98/27/1373049827.db2.gz WFDPDWQIJPEGJB-UHFFFAOYSA-N 0 0 342.351 3.179 10 5 EGBERN COc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126922655 1373052273 /nfs/dbraw/zinc/05/22/73/1373052273.db2.gz CRIJJBUPECWNPQ-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN COc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126922654 1373052298 /nfs/dbraw/zinc/05/22/98/1373052298.db2.gz CRIJJBUPECWNPQ-UONOGXRCSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CO2 ZINC001127032476 1373072963 /nfs/dbraw/zinc/07/29/63/1373072963.db2.gz STXHTUTYTFNLMW-ZDUSSCGKSA-N 0 0 330.315 3.214 10 5 EGBERN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1Cl ZINC001127074275 1373081109 /nfs/dbraw/zinc/08/11/09/1373081109.db2.gz CCQNOKTZPBVILA-UHFFFAOYSA-N 0 0 335.747 3.237 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2cnccc2n1 ZINC001127205077 1373103211 /nfs/dbraw/zinc/10/32/11/1373103211.db2.gz ITAKABIXFZWSGP-UHFFFAOYSA-N 0 0 342.742 3.121 10 5 EGBERN Cc1c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cccc1N(C)C ZINC001127470965 1373129577 /nfs/dbraw/zinc/12/95/77/1373129577.db2.gz NADLUNUTZRHGOB-UHFFFAOYSA-N 0 0 331.347 3.290 10 5 EGBERN CC(C)C1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)COC1 ZINC001127548845 1373138095 /nfs/dbraw/zinc/13/80/95/1373138095.db2.gz KXUXLMMDVOJZBV-UHFFFAOYSA-N 0 0 332.278 3.225 10 5 EGBERN C[C@@H]1CCC[C@@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C ZINC001127682159 1373159953 /nfs/dbraw/zinc/15/99/53/1373159953.db2.gz YOACAJQGSYULRT-XHBSWPGZSA-N 0 0 344.371 3.157 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCOc2ccc(F)cc21 ZINC001128008450 1373207725 /nfs/dbraw/zinc/20/77/25/1373207725.db2.gz XXQYPMYMDBMQER-AWEZNQCLSA-N 0 0 348.305 3.056 10 5 EGBERN O=C(Nc1ncc(C(F)(F)F)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001128193168 1373232789 /nfs/dbraw/zinc/23/27/89/1373232789.db2.gz LACQVWAJLSYLJN-UHFFFAOYSA-N 0 0 335.238 3.462 10 5 EGBERN O=C(Oc1cccc(Cl)c1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001128230102 1373238109 /nfs/dbraw/zinc/23/81/09/1373238109.db2.gz SKALOGUDWBBEFK-UHFFFAOYSA-N 0 0 339.662 3.335 10 5 EGBERN CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C ZINC001128281601 1373245494 /nfs/dbraw/zinc/24/54/94/1373245494.db2.gz QIBZIPAPQXXRQW-ZJUUUORDSA-N 0 0 328.315 3.457 10 5 EGBERN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC001128652846 1373300700 /nfs/dbraw/zinc/30/07/00/1373300700.db2.gz FFTHKACWHOIXHC-UHFFFAOYSA-N 0 0 327.315 3.421 10 5 EGBERN Cc1ccnc(C)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001128813297 1373313353 /nfs/dbraw/zinc/31/33/53/1373313353.db2.gz LGUYOVCDRHWWJA-UHFFFAOYSA-N 0 0 330.300 3.076 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001128976255 1373330080 /nfs/dbraw/zinc/33/00/80/1373330080.db2.gz SNOACKVOAVCXOY-INIZCTEOSA-N 0 0 348.305 3.087 10 5 EGBERN CC(C)(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC001128980798 1373331203 /nfs/dbraw/zinc/33/12/03/1373331203.db2.gz DBASAZDABXUHGT-UHFFFAOYSA-N 0 0 342.399 3.337 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Oc2ccc3ccccc3c2OC)n1 ZINC001129118397 1373348114 /nfs/dbraw/zinc/34/81/14/1373348114.db2.gz VCJMNASWXJVXRW-UHFFFAOYSA-N 0 0 341.323 3.192 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CSc2ccccc21 ZINC001129182137 1373358197 /nfs/dbraw/zinc/35/81/97/1373358197.db2.gz BLPFPBYSOJLWKE-ZDUSSCGKSA-N 0 0 328.393 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OC(F)F)cn2)c1F ZINC001129228944 1373363160 /nfs/dbraw/zinc/36/31/60/1373363160.db2.gz KNBODBCBUUMKKN-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN Cc1ccccc1CCN(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129244571 1373364778 /nfs/dbraw/zinc/36/47/78/1373364778.db2.gz OJBPLIWUICRBKT-UHFFFAOYSA-N 0 0 334.322 3.496 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Oc2cccc(-c3ccncc3)c2)n1 ZINC001129252632 1373365326 /nfs/dbraw/zinc/36/53/26/1373365326.db2.gz DGXCRJVNARZTRQ-UHFFFAOYSA-N 0 0 338.323 3.092 10 5 EGBERN CCNc1ccc(C(=O)Nc2cc(C)c3nccn3c2)cc1[N+](=O)[O-] ZINC001129295671 1373369539 /nfs/dbraw/zinc/36/95/39/1373369539.db2.gz SZLUUATXHTYOET-UHFFFAOYSA-N 0 0 339.355 3.235 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nccs2)cc1 ZINC001129568581 1373399205 /nfs/dbraw/zinc/39/92/05/1373399205.db2.gz CATPUWKHNSFKJN-UHFFFAOYSA-N 0 0 342.380 3.333 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(=O)OC)o1 ZINC001129600254 1373400876 /nfs/dbraw/zinc/40/08/76/1373400876.db2.gz KVQCHWCYGMSTAA-VQHVLOKHSA-N 0 0 344.323 3.189 10 5 EGBERN CCC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CCCC1 ZINC001129637422 1373406030 /nfs/dbraw/zinc/40/60/30/1373406030.db2.gz DJWVJYUBUDEUAX-MRXNPFEDSA-N 0 0 348.399 3.470 10 5 EGBERN CO[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC001129828994 1373426498 /nfs/dbraw/zinc/42/64/98/1373426498.db2.gz YMRITXSKQRZNNZ-CQSZACIVSA-N 0 0 342.823 3.358 10 5 EGBERN Cc1cc(COC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])no1 ZINC001129998520 1373443917 /nfs/dbraw/zinc/44/39/17/1373443917.db2.gz ILNSIOVBVBNKBA-UHFFFAOYSA-N 0 0 330.218 3.267 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC2CCC1CC2 ZINC001130063529 1373452205 /nfs/dbraw/zinc/45/22/05/1373452205.db2.gz CJHDLOVKBLRINY-NRXISQOPSA-N 0 0 332.400 3.306 10 5 EGBERN COc1ccc(C(=O)Nc2cc(F)cc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001130501450 1373552344 /nfs/dbraw/zinc/55/23/44/1373552344.db2.gz AXSSJRXOZWXBEP-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN CCc1cccc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001130634081 1373573053 /nfs/dbraw/zinc/57/30/53/1373573053.db2.gz OCCRCUHEBCGQDQ-UHFFFAOYSA-N 0 0 332.331 3.235 10 5 EGBERN COc1cc(C)cnc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130758473 1373588303 /nfs/dbraw/zinc/58/83/03/1373588303.db2.gz ABHALCOOERVOEH-UHFFFAOYSA-N 0 0 338.323 3.107 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnn(C2CCC2)c1 ZINC001130759017 1373588334 /nfs/dbraw/zinc/58/83/34/1373588334.db2.gz XBWHSMISOITHDR-UHFFFAOYSA-N 0 0 337.339 3.317 10 5 EGBERN Cc1cnc(F)cc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130764642 1373589073 /nfs/dbraw/zinc/58/90/73/1373589073.db2.gz MTHGOZCVEIMSRE-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cn1nc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cc1C(F)F ZINC001130761070 1373589414 /nfs/dbraw/zinc/58/94/14/1373589414.db2.gz DXSVATWHPFETIX-UHFFFAOYSA-N 0 0 347.281 3.066 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cccc2nccnc21 ZINC001130956946 1373615943 /nfs/dbraw/zinc/61/59/43/1373615943.db2.gz JMESPSUGDUHLKA-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN COc1cccc(C(=O)Oc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001131015286 1373624957 /nfs/dbraw/zinc/62/49/57/1373624957.db2.gz ORJDSPYZSMDIQA-UHFFFAOYSA-N 0 0 339.307 3.008 10 5 EGBERN CSc1cc(C)c(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001131052020 1373632949 /nfs/dbraw/zinc/63/29/49/1373632949.db2.gz TXIZZCNSZJTFDN-UHFFFAOYSA-N 0 0 338.297 3.346 10 5 EGBERN CCc1ccc(C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001131189986 1373659910 /nfs/dbraw/zinc/65/99/10/1373659910.db2.gz YIXLGSNELOWCHW-OAHLLOKOSA-N 0 0 344.342 3.030 10 5 EGBERN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC001131319510 1373680111 /nfs/dbraw/zinc/68/01/11/1373680111.db2.gz PUOPAJTXHJJWTK-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CO2 ZINC001131320982 1373680125 /nfs/dbraw/zinc/68/01/25/1373680125.db2.gz VOPFLWNWRXIYQP-LBPRGKRZSA-N 0 0 346.770 3.290 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001131732863 1373777436 /nfs/dbraw/zinc/77/74/36/1373777436.db2.gz NXNOOODAETWSCL-LPWJVIDDSA-N 0 0 345.273 3.166 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1CCc1ccc(Cl)cc1 ZINC001188540374 1388327441 /nfs/dbraw/zinc/32/74/41/1388327441.db2.gz XGIBGUQYCXZEIC-UHFFFAOYSA-N 0 0 329.743 3.201 10 5 EGBERN COc1cccc(-c2nnc(COc3ccc([N+](=O)[O-])cc3F)o2)c1 ZINC001188628249 1388348037 /nfs/dbraw/zinc/34/80/37/1388348037.db2.gz WJHFPPOCNUGFGH-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1(C)C(C)(C)C1(C)C ZINC001224864403 1375081091 /nfs/dbraw/zinc/08/10/91/1375081091.db2.gz SOYKCNFLIRIYNR-UHFFFAOYSA-N 0 0 335.404 3.227 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cc2n(n1)CCCC2 ZINC001132654086 1375498944 /nfs/dbraw/zinc/49/89/44/1375498944.db2.gz FIICKPZCUXKXCG-UHFFFAOYSA-N 0 0 329.356 3.101 10 5 EGBERN O=C(Nc1ccn(CCF)n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001132737527 1375538498 /nfs/dbraw/zinc/53/84/98/1375538498.db2.gz REERKKQXULMUTF-UHFFFAOYSA-N 0 0 346.240 3.032 10 5 EGBERN C[C@H](OC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC001132750464 1375545729 /nfs/dbraw/zinc/54/57/29/1375545729.db2.gz MVQWFYSIQXHUNQ-MGPLVRAMSA-N 0 0 331.299 3.342 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1c(C)occ1C(F)(F)F ZINC001132963054 1375676844 /nfs/dbraw/zinc/67/68/44/1375676844.db2.gz QEZCRTWLJRSIHJ-UHFFFAOYSA-N 0 0 345.233 3.171 10 5 EGBERN COc1ccc(CC(=O)Nc2cscc2Cl)cc1[N+](=O)[O-] ZINC001133290112 1375900298 /nfs/dbraw/zinc/90/02/98/1375900298.db2.gz QHGHINVHTWDIFQ-UHFFFAOYSA-N 0 0 326.761 3.500 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC001133622784 1376124797 /nfs/dbraw/zinc/12/47/97/1376124797.db2.gz QORKUVWKEKXGQI-HZMBPMFUSA-N 0 0 343.305 3.103 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001133638067 1376130088 /nfs/dbraw/zinc/13/00/88/1376130088.db2.gz QNJOCPGDNVLMBO-CQSZACIVSA-N 0 0 332.400 3.407 10 5 EGBERN COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1OC ZINC001133715342 1376170996 /nfs/dbraw/zinc/17/09/96/1376170996.db2.gz YZQXNEKBPGHIHV-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN COc1c(C(=O)Nc2nc3ccc(C)nc3s2)cccc1[N+](=O)[O-] ZINC001134036324 1376323229 /nfs/dbraw/zinc/32/32/29/1376323229.db2.gz IMRCOQITVJSZPO-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN Cc1nccc(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)n1 ZINC001134649682 1376642064 /nfs/dbraw/zinc/64/20/64/1376642064.db2.gz KCXYJRZLOGGJHQ-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN Cc1ccc(CNC(=O)NCCSCC(C)C)cc1[N+](=O)[O-] ZINC001233554506 1376668481 /nfs/dbraw/zinc/66/84/81/1376668481.db2.gz TYWBDRLOBNPOCZ-UHFFFAOYSA-N 0 0 325.434 3.092 10 5 EGBERN CCOC(=O)c1cc(CSc2ccc([N+](=O)[O-])cc2F)on1 ZINC001189092946 1388456750 /nfs/dbraw/zinc/45/67/50/1388456750.db2.gz HZEYECVMZBZRHQ-UHFFFAOYSA-N 0 0 326.305 3.191 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001135118498 1376911538 /nfs/dbraw/zinc/91/15/38/1376911538.db2.gz JJNCISOYIUHWLO-BSDSXHPESA-N 0 0 344.411 3.258 10 5 EGBERN CC(C)c1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)no1 ZINC001135363239 1377054139 /nfs/dbraw/zinc/05/41/39/1377054139.db2.gz VFZCQFDVRYAXIB-UHFFFAOYSA-N 0 0 341.327 3.144 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccc(O)c1 ZINC001135388900 1377069061 /nfs/dbraw/zinc/06/90/61/1377069061.db2.gz HXXVFWDPJDCTJR-UHFFFAOYSA-N 0 0 349.730 3.165 10 5 EGBERN C[C@@H](NC(=O)NCc1noc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001255265332 1377110403 /nfs/dbraw/zinc/11/04/03/1377110403.db2.gz IVCYKPPWQAQSCB-LLVKDONJSA-N 0 0 340.339 3.296 10 5 EGBERN Cc1cc(C(F)F)n(CC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])n1 ZINC001264250298 1377141790 /nfs/dbraw/zinc/14/17/90/1377141790.db2.gz PHCWISDOZAISDE-UHFFFAOYSA-N 0 0 339.298 3.260 10 5 EGBERN Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c(O)c1 ZINC001135566813 1377149145 /nfs/dbraw/zinc/14/91/45/1377149145.db2.gz WLZIHPJXCBUVFF-UHFFFAOYSA-N 0 0 344.323 3.022 10 5 EGBERN CCOc1ccccc1N(C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001266259097 1377249887 /nfs/dbraw/zinc/24/98/87/1377249887.db2.gz QEAKPFCNKSLZGT-UHFFFAOYSA-N 0 0 348.330 3.418 10 5 EGBERN CC(C)COCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001135954270 1377275442 /nfs/dbraw/zinc/27/54/42/1377275442.db2.gz PBXUQOJNPIAZCZ-UHFFFAOYSA-N 0 0 332.759 3.180 10 5 EGBERN Cc1cc(COC(=O)C[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001266572775 1377335477 /nfs/dbraw/zinc/33/54/77/1377335477.db2.gz VLKJQUJZGPZEQE-OAHLLOKOSA-N 0 0 327.336 3.340 10 5 EGBERN Cc1cc([C@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(C)s1 ZINC001136195796 1377363523 /nfs/dbraw/zinc/36/35/23/1377363523.db2.gz ILCWLDOTWRHIJU-LURJTMIESA-N 0 0 328.781 3.141 10 5 EGBERN Nc1c(Cl)cc(C(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC001136292377 1377373295 /nfs/dbraw/zinc/37/32/95/1377373295.db2.gz HSINDMSWPZGCSN-UHFFFAOYSA-N 0 0 343.730 3.026 10 5 EGBERN Nc1ccc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001137531233 1377561714 /nfs/dbraw/zinc/56/17/14/1377561714.db2.gz RFULSNUYYNRDKA-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN Cc1cc(F)cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1N ZINC001137530698 1377561927 /nfs/dbraw/zinc/56/19/27/1377561927.db2.gz JMVPUQNEEYPEID-UHFFFAOYSA-N 0 0 337.738 3.208 10 5 EGBERN Cc1ccc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c(C)c1 ZINC001141510328 1378336150 /nfs/dbraw/zinc/33/61/50/1378336150.db2.gz GOXXHHYXNMHZFU-UHFFFAOYSA-N 0 0 342.380 3.146 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001141720442 1378365980 /nfs/dbraw/zinc/36/59/80/1378365980.db2.gz LTCFKMVHXYPGCQ-UHFFFAOYSA-N 0 0 343.295 3.093 10 5 EGBERN O=C(NCCCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001142382801 1378437877 /nfs/dbraw/zinc/43/78/77/1378437877.db2.gz QEQRPPUHXGQBIV-UHFFFAOYSA-N 0 0 349.431 3.077 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1COCc2ccccc21 ZINC001142501736 1378449065 /nfs/dbraw/zinc/44/90/65/1378449065.db2.gz JHZCGHNMLMHKOU-OAHLLOKOSA-N 0 0 346.770 3.178 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2[nH]ccc21 ZINC001143376804 1378588732 /nfs/dbraw/zinc/58/87/32/1378588732.db2.gz LJYDTSLOELLRSO-UHFFFAOYSA-N 0 0 331.278 3.284 10 5 EGBERN CC(C)(C)[C@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001146679822 1378895596 /nfs/dbraw/zinc/89/55/96/1378895596.db2.gz WWRGJPFBODPVQB-GOEBONIOSA-N 0 0 334.416 3.303 10 5 EGBERN CC[C@H](C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001147249612 1378997336 /nfs/dbraw/zinc/99/73/36/1378997336.db2.gz ABLDFBZIUZDAMF-RYUDHWBXSA-N 0 0 331.372 3.073 10 5 EGBERN CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(C)C ZINC001149201614 1379345070 /nfs/dbraw/zinc/34/50/70/1379345070.db2.gz BYXFNWXDJBYAKK-JKSUJKDBSA-N 0 0 349.431 3.350 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001149362755 1379369083 /nfs/dbraw/zinc/36/90/83/1379369083.db2.gz DLPYVQQXRMPQDN-AWEZNQCLSA-N 0 0 326.352 3.061 10 5 EGBERN CC(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001152219135 1379888308 /nfs/dbraw/zinc/88/83/08/1379888308.db2.gz NMBKTYOYOMQLQL-UHFFFAOYSA-N 0 0 326.352 3.078 10 5 EGBERN O=C(N[C@@H]1CC(=O)c2ccccc21)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001152688317 1379970888 /nfs/dbraw/zinc/97/08/88/1379970888.db2.gz DVLGNJDVNVWOIU-GFCCVEGCSA-N 0 0 348.717 3.445 10 5 EGBERN O=C(NCc1nc2c(cccc2F)[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001153149483 1380027959 /nfs/dbraw/zinc/02/79/59/1380027959.db2.gz HQHLUCPFSFLTRN-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN CCCn1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001154151961 1380216773 /nfs/dbraw/zinc/21/67/73/1380216773.db2.gz NWPFAUGFWIWCJG-UHFFFAOYSA-N 0 0 326.356 3.218 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c1C ZINC001154400218 1380270310 /nfs/dbraw/zinc/27/03/10/1380270310.db2.gz JIKPANXMSUPRMO-UHFFFAOYSA-N 0 0 340.335 3.316 10 5 EGBERN Cc1ccc2n[nH]cc2c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001157525119 1380955399 /nfs/dbraw/zinc/95/53/99/1380955399.db2.gz XAEXKFQFRKKRME-GFCCVEGCSA-N 0 0 338.367 3.313 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001287964723 1381452276 /nfs/dbraw/zinc/45/22/76/1381452276.db2.gz LEDLQIQDCYOZFM-QAPCUYQASA-N 0 0 328.343 3.404 10 5 EGBERN O=C(Nc1cccc2nccnc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001288081674 1381564976 /nfs/dbraw/zinc/56/49/76/1381564976.db2.gz WAABVJLIOMRLCT-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN COc1cc(C(=O)Nc2cncc(C(F)F)c2)c([N+](=O)[O-])cc1F ZINC001288118776 1381568566 /nfs/dbraw/zinc/56/85/66/1381568566.db2.gz KMRYKPFMUZDAPP-UHFFFAOYSA-N 0 0 341.245 3.327 10 5 EGBERN CN(Cc1ccc2cc[nH]c2c1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001288172049 1381625003 /nfs/dbraw/zinc/62/50/03/1381625003.db2.gz ZURIWHHKEKQERY-UHFFFAOYSA-N 0 0 339.351 3.114 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccc(F)c1SC ZINC001288216235 1381731945 /nfs/dbraw/zinc/73/19/45/1381731945.db2.gz QGHLHJUMTVULFH-UHFFFAOYSA-N 0 0 337.332 3.112 10 5 EGBERN C[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001289021617 1381973366 /nfs/dbraw/zinc/97/33/66/1381973366.db2.gz VILKPDUNDVEUIW-DXMSMQRWSA-N 0 0 344.392 3.382 10 5 EGBERN O=C(Nc1nccnc1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001289185446 1381979120 /nfs/dbraw/zinc/97/91/20/1381979120.db2.gz UUYUTOUYQASLFI-UHFFFAOYSA-N 0 0 339.355 3.089 10 5 EGBERN Cc1cccc(C(=O)N=[S@](C)(=O)c2ccccc2F)c1[N+](=O)[O-] ZINC001289706759 1382008774 /nfs/dbraw/zinc/00/87/74/1382008774.db2.gz JETBWVWMUIFSGW-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001289902577 1382019056 /nfs/dbraw/zinc/01/90/56/1382019056.db2.gz DCMUENWGCPVTHJ-JTQLQIEISA-N 0 0 349.337 3.430 10 5 EGBERN CCCN(CCC)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001290090166 1382059266 /nfs/dbraw/zinc/05/92/66/1382059266.db2.gz DBVPXCDBOMHLBH-UHFFFAOYSA-N 0 0 344.209 3.202 10 5 EGBERN CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1O ZINC001160321347 1382073109 /nfs/dbraw/zinc/07/31/09/1382073109.db2.gz QBPFAMBDTQZPHP-VIFPVBQESA-N 0 0 346.314 3.384 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC(Oc3ccccc3)C2)c1F ZINC001292930752 1382232556 /nfs/dbraw/zinc/23/25/56/1382232556.db2.gz PSGMWHVJRLJBDF-UHFFFAOYSA-N 0 0 348.305 3.085 10 5 EGBERN Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2N)oc2ccccc12 ZINC001293443849 1382289675 /nfs/dbraw/zinc/28/96/75/1382289675.db2.gz YUXUJKYTVXUABX-UHFFFAOYSA-N 0 0 325.324 3.162 10 5 EGBERN Nc1c(Cl)c(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293542368 1382297846 /nfs/dbraw/zinc/29/78/46/1382297846.db2.gz SAQZUEJINCGPSS-UHFFFAOYSA-N 0 0 340.166 3.414 10 5 EGBERN CCN(c1ncnc2c(Cl)cc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC001328572806 1388777687 /nfs/dbraw/zinc/77/76/87/1388777687.db2.gz MMTWAUDSXRSABY-SNVBAGLBSA-N 0 0 336.779 3.197 10 5 EGBERN CCCCc1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 ZINC001161993580 1382592639 /nfs/dbraw/zinc/59/26/39/1382592639.db2.gz DBONGYAGPTUOEO-UHFFFAOYSA-N 0 0 349.412 3.328 10 5 EGBERN CCOCCOC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC001162177056 1382649724 /nfs/dbraw/zinc/64/97/24/1382649724.db2.gz PIRYSZBTEVBYHO-UHFFFAOYSA-N 0 0 345.399 3.165 10 5 EGBERN CCOC(=O)c1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001162200272 1382655455 /nfs/dbraw/zinc/65/54/55/1382655455.db2.gz HWNFPYQTRUKMPI-SNVBAGLBSA-N 0 0 330.344 3.043 10 5 EGBERN COC(=O)c1ccnc(N[C@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC001162584678 1382799539 /nfs/dbraw/zinc/79/95/39/1382799539.db2.gz NEFFHNKNRSLKMB-NSHDSACASA-N 0 0 331.353 3.035 10 5 EGBERN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)cn1 ZINC001162618908 1382812048 /nfs/dbraw/zinc/81/20/48/1382812048.db2.gz LVPWLHDPURMGFM-UHFFFAOYSA-N 0 0 335.295 3.204 10 5 EGBERN CC(C)Oc1nc(N2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001162652733 1382821851 /nfs/dbraw/zinc/82/18/51/1382821851.db2.gz UCSCZMWBVXYJHY-ZDUSSCGKSA-N 0 0 325.434 3.355 10 5 EGBERN C[C@@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])C1CCCCC1 ZINC001163042400 1382953311 /nfs/dbraw/zinc/95/33/11/1382953311.db2.gz QBMIYZPFELSQCS-GOSISDBHSA-N 0 0 329.400 3.308 10 5 EGBERN Cc1cc2n[nH]cc2cc1NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001296363141 1382979574 /nfs/dbraw/zinc/97/95/74/1382979574.db2.gz WJOKLNZSYXGXNJ-UHFFFAOYSA-N 0 0 328.303 3.479 10 5 EGBERN CCCONC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001163234213 1383002088 /nfs/dbraw/zinc/00/20/88/1383002088.db2.gz OHUBMNOIKCETMX-STQMWFEESA-N 0 0 335.404 3.149 10 5 EGBERN CS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001163299234 1383015612 /nfs/dbraw/zinc/01/56/12/1383015612.db2.gz OUKZGIOFJMFDPE-UHFFFAOYSA-N 0 0 340.788 3.264 10 5 EGBERN COc1cc(C)ccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163354846 1383029019 /nfs/dbraw/zinc/02/90/19/1383029019.db2.gz NNSJWEFHMYWCAZ-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN COC(=O)[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001163444295 1383052921 /nfs/dbraw/zinc/05/29/21/1383052921.db2.gz FRDILWZYBQFNCE-HZPDHXFCSA-N 0 0 340.379 3.296 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001163493827 1383064276 /nfs/dbraw/zinc/06/42/76/1383064276.db2.gz JHRAKASDOMJBEO-XJKSGUPXSA-N 0 0 347.415 3.349 10 5 EGBERN CCc1ccc(CN(CC(C)C)c2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001163570874 1383081669 /nfs/dbraw/zinc/08/16/69/1383081669.db2.gz BJHIJMQHEUQQOL-UHFFFAOYSA-N 0 0 329.404 3.192 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](Oc4ccccc4)C3)c21 ZINC001163759874 1383118755 /nfs/dbraw/zinc/11/87/55/1383118755.db2.gz SSFNIAOKAFVMIP-CQSZACIVSA-N 0 0 336.351 3.196 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCCOc1cccc([N+](=O)[O-])c1 ZINC001328735362 1388833105 /nfs/dbraw/zinc/83/31/05/1388833105.db2.gz FXQRKIBJAFUXOT-UHFFFAOYSA-N 0 0 333.262 3.249 10 5 EGBERN O=[N+]([O-])c1cnc(NCC2(c3ccc(Br)cc3)CC2)nc1 ZINC001164084857 1383154484 /nfs/dbraw/zinc/15/44/84/1383154484.db2.gz HUEZKBQVVHUKBA-UHFFFAOYSA-N 0 0 349.188 3.291 10 5 EGBERN Nc1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC001164221183 1383167672 /nfs/dbraw/zinc/16/76/72/1383167672.db2.gz VXZRCIHPMXDMAN-UHFFFAOYSA-N 0 0 348.362 3.415 10 5 EGBERN Nc1nc(Cl)cc(Oc2cccc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001164282457 1383174043 /nfs/dbraw/zinc/17/40/43/1383174043.db2.gz KSJIKUILKUDIEP-UHFFFAOYSA-N 0 0 334.641 3.432 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1Cc1cc(Br)cc(F)c1F ZINC001165569665 1383311338 /nfs/dbraw/zinc/31/13/38/1383311338.db2.gz ATDUWMURSOZGJG-UHFFFAOYSA-N 0 0 332.104 3.189 10 5 EGBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCSC(F)(F)F ZINC001165592709 1383314072 /nfs/dbraw/zinc/31/40/72/1383314072.db2.gz FFHJTMFEMSXTDX-UHFFFAOYSA-N 0 0 345.302 3.072 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC001165777213 1383344676 /nfs/dbraw/zinc/34/46/76/1383344676.db2.gz BQVYZDNDNQEPER-CQSZACIVSA-N 0 0 330.315 3.086 10 5 EGBERN COC(=O)c1ccc(OC[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001165960148 1383370907 /nfs/dbraw/zinc/37/09/07/1383370907.db2.gz MLVCLCJBQWOYAP-LLVKDONJSA-N 0 0 337.372 3.354 10 5 EGBERN COc1cccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c1 ZINC001166240956 1383406390 /nfs/dbraw/zinc/40/63/90/1383406390.db2.gz XGMTWKZDUYAXPJ-UHFFFAOYSA-N 0 0 328.303 3.049 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328775101 1388854958 /nfs/dbraw/zinc/85/49/58/1388854958.db2.gz LGXQOHTYYVCLDG-ADEWGFFLSA-N 0 0 344.745 3.341 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001299196519 1383483003 /nfs/dbraw/zinc/48/30/03/1383483003.db2.gz BOIXJPLDHKTWMC-UHFFFAOYSA-N 0 0 336.351 3.223 10 5 EGBERN Cc1cc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC001166932955 1383501257 /nfs/dbraw/zinc/50/12/57/1383501257.db2.gz MMXYBUUPTABOOD-UHFFFAOYSA-N 0 0 341.776 3.417 10 5 EGBERN CC(C)[C@@H]1N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC001299299140 1383501891 /nfs/dbraw/zinc/50/18/91/1383501891.db2.gz RUKUHYZZUPSOGD-SFHVURJKSA-N 0 0 345.443 3.458 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S[C@@H]1CCCS(=O)(=O)C1 ZINC001166944710 1383503126 /nfs/dbraw/zinc/50/31/26/1383503126.db2.gz GKFIRBIQNPWSLW-WCQYABFASA-N 0 0 329.443 3.275 10 5 EGBERN O=C(Nc1nccc2cc[nH]c21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001167127225 1383546037 /nfs/dbraw/zinc/54/60/37/1383546037.db2.gz NVKSWIMQNYFDLT-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN CCc1ccc(CN(CC(C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001299817887 1383629495 /nfs/dbraw/zinc/62/94/95/1383629495.db2.gz DZDWDKZTIOQKLT-UHFFFAOYSA-N 0 0 330.388 3.179 10 5 EGBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001300542690 1383669572 /nfs/dbraw/zinc/66/95/72/1383669572.db2.gz GDSUFDOJBRBMMW-IAGOWNOFSA-N 0 0 349.346 3.179 10 5 EGBERN Nc1c(Cl)cc(C(=O)N2CCC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001301062341 1383692983 /nfs/dbraw/zinc/69/29/83/1383692983.db2.gz RTLRLPDAHHOOAR-LLVKDONJSA-N 0 0 337.807 3.483 10 5 EGBERN Cc1cc(Cl)ccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425052 1383753083 /nfs/dbraw/zinc/75/30/83/1383753083.db2.gz OXIWEZLWHHNQOD-KRWDZBQOSA-N 0 0 348.786 3.194 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1[N+](=O)[O-] ZINC001302608817 1383761102 /nfs/dbraw/zinc/76/11/02/1383761102.db2.gz NCKJTROBKRQZGQ-XLIONFOSSA-N 0 0 336.391 3.424 10 5 EGBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001304191713 1383838605 /nfs/dbraw/zinc/83/86/05/1383838605.db2.gz ZECYIQMFODARPM-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN Cn1cc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC001306000187 1383866718 /nfs/dbraw/zinc/86/67/18/1383866718.db2.gz WKGSXEJGBYEXJD-UHFFFAOYSA-N 0 0 344.705 3.101 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC001306909271 1383918947 /nfs/dbraw/zinc/91/89/47/1383918947.db2.gz UXZMFFUUGILWBG-NSHDSACASA-N 0 0 343.412 3.322 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCOc1cccc(F)c1 ZINC001306929192 1383921877 /nfs/dbraw/zinc/92/18/77/1383921877.db2.gz YWVIHOYTWKUTGY-UHFFFAOYSA-N 0 0 345.305 3.334 10 5 EGBERN COC(=O)CCc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001306962102 1383926731 /nfs/dbraw/zinc/92/67/31/1383926731.db2.gz KVFXLRHXRZSNDT-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN O=C1C[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001306992999 1383931099 /nfs/dbraw/zinc/93/10/99/1383931099.db2.gz JALMZVJTCVBHFO-ZETCQYMHSA-N 0 0 330.171 3.077 10 5 EGBERN Cc1nc(Oc2ccc(F)c(Br)c2)ncc1[N+](=O)[O-] ZINC001307084583 1383938225 /nfs/dbraw/zinc/93/82/25/1383938225.db2.gz QMFBNHQCCJGZAC-UHFFFAOYSA-N 0 0 328.097 3.387 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NC[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001307116249 1383942691 /nfs/dbraw/zinc/94/26/91/1383942691.db2.gz HVDNBHNAXGAAPI-GFCCVEGCSA-N 0 0 327.319 3.096 10 5 EGBERN CN(CCNC(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001307135932 1383943976 /nfs/dbraw/zinc/94/39/76/1383943976.db2.gz QGIIFWPHWOCOJC-UHFFFAOYSA-N 0 0 346.387 3.104 10 5 EGBERN CC(C)(C)OC(=O)C(C)(C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001307147854 1383945843 /nfs/dbraw/zinc/94/58/43/1383945843.db2.gz XZLHBDLEQMLQHH-UHFFFAOYSA-N 0 0 348.403 3.412 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](Oc4ccccc4)C3)c2c1 ZINC001307151062 1383946514 /nfs/dbraw/zinc/94/65/14/1383946514.db2.gz IMQFZWKRBTXHOA-HNNXBMFYSA-N 0 0 336.351 3.196 10 5 EGBERN C[C@@H](O)[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001307157126 1383947424 /nfs/dbraw/zinc/94/74/24/1383947424.db2.gz MLAGZTFKEYBQME-PSLIRLAXSA-N 0 0 330.319 3.144 10 5 EGBERN COc1cc(N[C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC001307169238 1383949908 /nfs/dbraw/zinc/94/99/08/1383949908.db2.gz KVZQOUVXHJLZMN-LBPRGKRZSA-N 0 0 348.330 3.167 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1ccnc(F)c1 ZINC001307176622 1383950981 /nfs/dbraw/zinc/95/09/81/1383950981.db2.gz FDOFAJHCPLPLCA-UHFFFAOYSA-N 0 0 332.722 3.365 10 5 EGBERN CCOc1cc(NCCN2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001307205320 1383955866 /nfs/dbraw/zinc/95/58/66/1383955866.db2.gz IQBRILQLZIGWQJ-UHFFFAOYSA-N 0 0 327.384 3.468 10 5 EGBERN Cc1cc(-n2cccn2)ccc1CNc1ncc([N+](=O)[O-])cc1F ZINC001307225309 1383960262 /nfs/dbraw/zinc/96/02/62/1383960262.db2.gz XWPOSZVNFLYPCS-UHFFFAOYSA-N 0 0 327.319 3.235 10 5 EGBERN Cn1cnc2c1ncnc2Oc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307224186 1383960624 /nfs/dbraw/zinc/96/06/24/1383960624.db2.gz AEBQQRLXQRORNR-UHFFFAOYSA-N 0 0 339.233 3.083 10 5 EGBERN Cc1cc2nnc(SCc3ccc(F)cc3[N+](=O)[O-])n2c(C)n1 ZINC001307290328 1383967332 /nfs/dbraw/zinc/96/73/32/1383967332.db2.gz GWTIDQLWJSNPCF-UHFFFAOYSA-N 0 0 333.348 3.081 10 5 EGBERN CCOC(=O)c1cc(COc2cc(F)c([N+](=O)[O-])cc2Cl)on1 ZINC001307341629 1383974224 /nfs/dbraw/zinc/97/42/24/1383974224.db2.gz IOJUJVSDGMKORK-UHFFFAOYSA-N 0 0 344.682 3.131 10 5 EGBERN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001307828239 1384038655 /nfs/dbraw/zinc/03/86/55/1384038655.db2.gz YWOXAYJZACKWAG-MRXNPFEDSA-N 0 0 341.346 3.073 10 5 EGBERN C/C=C\C[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975172 1384067084 /nfs/dbraw/zinc/06/70/84/1384067084.db2.gz VCHBTFUJRMYVMX-VQTKUKTRSA-N 0 0 347.415 3.220 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997786 1384071398 /nfs/dbraw/zinc/07/13/98/1384071398.db2.gz WBTZYOYLYKEVBP-MFKMUULPSA-N 0 0 343.221 3.357 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)c1cc(F)ccc1F ZINC001308159285 1384103233 /nfs/dbraw/zinc/10/32/33/1384103233.db2.gz HBYIBXCLUAGTBX-AWEZNQCLSA-N 0 0 342.729 3.350 10 5 EGBERN Cc1ccsc1[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001169626373 1384166509 /nfs/dbraw/zinc/16/65/09/1384166509.db2.gz BMSHNQXDDIKMJI-ZDUSSCGKSA-N 0 0 326.805 3.441 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313382 1384339244 /nfs/dbraw/zinc/33/92/44/1384339244.db2.gz ONUFAXHSANKTPP-POPZOMSYSA-N 0 0 335.404 3.157 10 5 EGBERN CCC1(CC)[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001312346931 1384341662 /nfs/dbraw/zinc/34/16/62/1384341662.db2.gz BDKLBLLRYPSEOA-HOTGVXAUSA-N 0 0 349.431 3.296 10 5 EGBERN CN(Cc1c(F)cccc1F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001312621319 1384361231 /nfs/dbraw/zinc/36/12/31/1384361231.db2.gz FNKWYSJKZMOAAN-UHFFFAOYSA-N 0 0 349.337 3.257 10 5 EGBERN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC001313143747 1384399182 /nfs/dbraw/zinc/39/91/82/1384399182.db2.gz MFAWIVOTLAHLSN-IYOUNJFTSA-N 0 0 346.431 3.275 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001313280536 1384406893 /nfs/dbraw/zinc/40/68/93/1384406893.db2.gz RWBQBJZXFXSFHC-BXUZGUMPSA-N 0 0 349.412 3.059 10 5 EGBERN C[C@]1(C(F)(F)F)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001175513833 1385317194 /nfs/dbraw/zinc/31/71/94/1385317194.db2.gz YAYBCZCYTNCDFV-GFCCVEGCSA-N 0 0 338.713 3.401 10 5 EGBERN CCSc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC001176020623 1385462809 /nfs/dbraw/zinc/46/28/09/1385462809.db2.gz MBMLDEBMFSSTTQ-UHFFFAOYSA-N 0 0 348.428 3.483 10 5 EGBERN CC(C)Oc1cc(Cl)ccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001176414971 1385580414 /nfs/dbraw/zinc/58/04/14/1385580414.db2.gz BXDLAWFMNDEMPY-UHFFFAOYSA-N 0 0 337.763 3.294 10 5 EGBERN Cc1ccc(NC(=O)c2cc(Cl)ncc2Cl)c(N)c1[N+](=O)[O-] ZINC001179878978 1386616309 /nfs/dbraw/zinc/61/63/09/1386616309.db2.gz HGMLKCKGSIGALJ-UHFFFAOYSA-N 0 0 341.154 3.440 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccnc1C1CC1 ZINC001180184610 1386723958 /nfs/dbraw/zinc/72/39/58/1386723958.db2.gz QFKNBYODZYPVIB-UHFFFAOYSA-N 0 0 336.351 3.461 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329190612 1389013900 /nfs/dbraw/zinc/01/39/00/1389013900.db2.gz JBUBAGGUDQSBEA-YUELXQCFSA-N 0 0 329.400 3.099 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1NCc1ccccc1CC(F)(F)F ZINC001331554860 1389797329 /nfs/dbraw/zinc/79/73/29/1389797329.db2.gz NAHYOIYTJCYPQP-UHFFFAOYSA-N 0 0 325.290 3.437 10 5 EGBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC001331587712 1389816099 /nfs/dbraw/zinc/81/60/99/1389816099.db2.gz JOVJLXMJWPADQY-DOMZBBRYSA-N 0 0 328.368 3.388 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CO1 ZINC001333217678 1390268342 /nfs/dbraw/zinc/26/83/42/1390268342.db2.gz XXGBKFPUNLVPDQ-ZDUSSCGKSA-N 0 0 337.375 3.406 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001333765830 1390396344 /nfs/dbraw/zinc/39/63/44/1390396344.db2.gz AKAKIRQPUNLBGY-MXWKQRLJSA-N 0 0 325.315 3.459 10 5 EGBERN CC(C)(CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCCO1 ZINC001335582964 1390705900 /nfs/dbraw/zinc/70/59/00/1390705900.db2.gz AGNDXPFPEDBYRK-MRXNPFEDSA-N 0 0 347.415 3.215 10 5 EGBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C12CC(C(F)(F)F)(C1)C2 ZINC001343453318 1390715024 /nfs/dbraw/zinc/71/50/24/1390715024.db2.gz WQHDVTWMCBGOQM-UHFFFAOYSA-N 0 0 326.274 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCOCC12CCCC2 ZINC001344683646 1390808446 /nfs/dbraw/zinc/80/84/46/1390808446.db2.gz DZHZFBHNTOPEHT-OAHLLOKOSA-N 0 0 333.388 3.374 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[C@]12CCOC2 ZINC001345163844 1390842784 /nfs/dbraw/zinc/84/27/84/1390842784.db2.gz XGNLQDNGFJVZQE-BZNIZROVSA-N 0 0 337.397 3.290 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001345304788 1390854152 /nfs/dbraw/zinc/85/41/52/1390854152.db2.gz UEIHPEVUSRAGBQ-DOMZBBRYSA-N 0 0 349.387 3.026 10 5 EGBERN O=C(OCc1c(F)cncc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001346162214 1390912245 /nfs/dbraw/zinc/91/22/45/1390912245.db2.gz ZYLDSWHITXZAOB-NWDGAFQWSA-N 0 0 334.278 3.115 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CO1 ZINC001346759567 1390977850 /nfs/dbraw/zinc/97/78/50/1390977850.db2.gz YBDXSGIBHYHVBY-QMMMGPOBSA-N 0 0 333.262 3.338 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001347371311 1391062939 /nfs/dbraw/zinc/06/29/39/1391062939.db2.gz SHOJMSWNPOTSGK-HOCLYGCPSA-N 0 0 332.356 3.294 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001347632286 1391102874 /nfs/dbraw/zinc/10/28/74/1391102874.db2.gz SULPJFRATRTGOR-RDJZCZTQSA-N 0 0 346.427 3.381 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nocc1C ZINC001347647156 1391105712 /nfs/dbraw/zinc/10/57/12/1391105712.db2.gz DLFCZOZWTSHJTC-UHFFFAOYSA-N 0 0 335.385 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCC3)cc2C)n1 ZINC001348049689 1391165255 /nfs/dbraw/zinc/16/52/55/1391165255.db2.gz ZKTHBNCVIRAADE-UHFFFAOYSA-N 0 0 340.383 3.459 10 5 EGBERN O=C(N[C@H]1CCOCC12CCCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001348214579 1391186954 /nfs/dbraw/zinc/18/69/54/1391186954.db2.gz TWTQEROHQFZZKJ-INIZCTEOSA-N 0 0 343.383 3.155 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001348467226 1391223669 /nfs/dbraw/zinc/22/36/69/1391223669.db2.gz HFIITDQLQZTNOK-AWEZNQCLSA-N 0 0 330.315 3.411 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1cccc2ncccc12 ZINC001348477794 1391225903 /nfs/dbraw/zinc/22/59/03/1391225903.db2.gz WEIFLIVWYQOSBP-UHFFFAOYSA-N 0 0 338.319 3.300 10 5 EGBERN CC1(C)OC(=O)c2c1cccc2C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001348497883 1391229472 /nfs/dbraw/zinc/22/94/72/1391229472.db2.gz UCUGSPGZFKFNSQ-UHFFFAOYSA-N 0 0 341.319 3.357 10 5 EGBERN COc1cc(Cl)cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001349106934 1391303199 /nfs/dbraw/zinc/30/31/99/1391303199.db2.gz AJETXURTICKVSN-UHFFFAOYSA-N 0 0 332.743 3.460 10 5 EGBERN CC(C)N=c1ccccn1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349590605 1391343516 /nfs/dbraw/zinc/34/35/16/1391343516.db2.gz CHPORCZXJCMRIY-HZPDHXFCSA-N 0 0 325.368 3.149 10 5 EGBERN O=C(OCc1c(F)cncc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349770623 1391364837 /nfs/dbraw/zinc/36/48/37/1391364837.db2.gz XJPQXPMGOWSEOF-NWDGAFQWSA-N 0 0 334.278 3.115 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001349845397 1391374820 /nfs/dbraw/zinc/37/48/20/1391374820.db2.gz BTYJUEZSBUSXEZ-GOEBONIOSA-N 0 0 333.388 3.469 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ncc1F ZINC001349952343 1391390227 /nfs/dbraw/zinc/39/02/27/1391390227.db2.gz XOJMTDDMLXNUCN-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN O=C(OCc1cccnc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001350043905 1391401944 /nfs/dbraw/zinc/40/19/44/1391401944.db2.gz PCYLJMGYCJWIIH-UHFFFAOYSA-N 0 0 335.319 3.409 10 5 EGBERN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001350343328 1391450418 /nfs/dbraw/zinc/45/04/18/1391450418.db2.gz JFTJLQVTBUJBMP-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN COc1cccc(COC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1OC ZINC001350569854 1391482360 /nfs/dbraw/zinc/48/23/60/1391482360.db2.gz TUIIRROLOUKYQP-UHFFFAOYSA-N 0 0 349.314 3.037 10 5 EGBERN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001350904179 1391555259 /nfs/dbraw/zinc/55/52/59/1391555259.db2.gz FGQPMQTYRCVWBJ-LBPRGKRZSA-N 0 0 346.387 3.159 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001350966368 1391569414 /nfs/dbraw/zinc/56/94/14/1391569414.db2.gz ASWDUJLYLOUQIN-CWRNSKLLSA-N 0 0 347.415 3.175 10 5 EGBERN CC(=O)c1csc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001350976137 1391572012 /nfs/dbraw/zinc/57/20/12/1391572012.db2.gz KQNBQEFMOKFXNA-UHFFFAOYSA-N 0 0 345.380 3.314 10 5 EGBERN CCNC(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001351179641 1391607640 /nfs/dbraw/zinc/60/76/40/1391607640.db2.gz MPFIAQWCPMHWKJ-UHFFFAOYSA-N 0 0 342.351 3.181 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC001351185025 1391608248 /nfs/dbraw/zinc/60/82/48/1391608248.db2.gz RSMYARLRQPHOSL-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN Cc1c(NC(=O)c2ccc3c(c2)COC(=O)N3)cccc1[N+](=O)[O-] ZINC001351330518 1391627962 /nfs/dbraw/zinc/62/79/62/1391627962.db2.gz XVBPUMIKNVFCBR-UHFFFAOYSA-N 0 0 327.296 3.218 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CO[C@H](C4CC4)C3)c2c1 ZINC001351364820 1391632351 /nfs/dbraw/zinc/63/23/51/1391632351.db2.gz QSFATPVVDMYJEX-RNCFNFMXSA-N 0 0 334.763 3.171 10 5 EGBERN Cc1nccnc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001351660379 1391666006 /nfs/dbraw/zinc/66/60/06/1391666006.db2.gz OCWOQZDGJPAREW-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC001352035855 1391748606 /nfs/dbraw/zinc/74/86/06/1391748606.db2.gz UWQGABXGDLHFCD-MSOLQXFVSA-N 0 0 340.379 3.241 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C1CC1 ZINC001353619402 1392052153 /nfs/dbraw/zinc/05/21/53/1392052153.db2.gz LIMYKELPHFCJPP-CABCVRRESA-N 0 0 331.416 3.339 10 5 EGBERN Cc1ncsc1CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001354577207 1392153848 /nfs/dbraw/zinc/15/38/48/1392153848.db2.gz OGELSHLWIHKBCF-UHFFFAOYSA-N 0 0 327.312 3.209 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001354627980 1392156990 /nfs/dbraw/zinc/15/69/90/1392156990.db2.gz JPBNPGDWXFSQCR-GFCCVEGCSA-N 0 0 326.352 3.329 10 5 EGBERN Cc1c(NC(=O)c2ccc(P(C)(C)=O)cc2)cccc1[N+](=O)[O-] ZINC001355014560 1392185842 /nfs/dbraw/zinc/18/58/42/1392185842.db2.gz BJZXEQGJXHRKQK-UHFFFAOYSA-N 0 0 332.296 3.404 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)nc1 ZINC001355064471 1392190352 /nfs/dbraw/zinc/19/03/52/1392190352.db2.gz ILHZYWDRCIIVJD-UHFFFAOYSA-N 0 0 333.319 3.477 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccc(F)cc2)c1 ZINC001355119870 1392194863 /nfs/dbraw/zinc/19/48/63/1392194863.db2.gz MNMWMWKCTQTGRT-UHFFFAOYSA-N 0 0 341.298 3.277 10 5 EGBERN CN(CCN(C)C(=O)CC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001482578205 1395094535 /nfs/dbraw/zinc/09/45/35/1395094535.db2.gz NGBFDAQJUJTFMP-UHFFFAOYSA-N 0 0 347.459 3.455 10 5 EGBERN Cc1cc(C)c(C(=O)N(C)CCN(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001698986821 1406770505 /nfs/dbraw/zinc/77/05/05/1406770505.db2.gz UYSAPWKQIOBOIU-UHFFFAOYSA-N 0 0 345.399 3.009 10 5 EGBERN Cc1noc([C@@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C(C)C)n1 ZINC001687492186 1396393233 /nfs/dbraw/zinc/39/32/33/1396393233.db2.gz ZXJFKYAVMRQZQG-YGRLFVJLSA-N 0 0 347.375 3.044 10 5 EGBERN C[C@H](NC(=O)NCc1ncc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC001687499280 1396395150 /nfs/dbraw/zinc/39/51/50/1396395150.db2.gz PSEXFDRSSTWMDE-QMMMGPOBSA-N 0 0 340.792 3.265 10 5 EGBERN CCC1(C(=O)NCCN(C)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC001690129552 1404323712 /nfs/dbraw/zinc/32/37/12/1404323712.db2.gz BNTWWWRVJBREEJ-UHFFFAOYSA-N 0 0 337.395 3.257 10 5 EGBERN C[C@H]1C[C@H]1n1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001693584742 1406027305 /nfs/dbraw/zinc/02/73/05/1406027305.db2.gz HNRZKNOYAHLMCR-BLLLJJGKSA-N 0 0 341.415 3.324 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(C)(C)C)n1C1CC1 ZINC001696700783 1406119143 /nfs/dbraw/zinc/11/91/43/1406119143.db2.gz PROUQSYGKGTVEC-UHFFFAOYSA-N 0 0 329.404 3.455 10 5 EGBERN CC(C)C(C)(C)C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001707380073 1417303405 /nfs/dbraw/zinc/30/34/05/1417303405.db2.gz IAOGTJDRNGFXCX-UHFFFAOYSA-N 0 0 341.477 3.277 10 5 EGBERN CC/C=C/Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001709382055 1417435462 /nfs/dbraw/zinc/43/54/62/1417435462.db2.gz LNIDXIAXFZAZHL-SNAWJCMRSA-N 0 0 327.388 3.024 10 5 EGBERN CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)OC ZINC001709592597 1417442098 /nfs/dbraw/zinc/44/20/98/1417442098.db2.gz OIXQDZHRVMGSPC-ZDUSSCGKSA-N 0 0 347.419 3.125 10 5 EGBERN CCN(CCNC(=O)C1(CC)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001713490586 1418189046 /nfs/dbraw/zinc/18/90/46/1418189046.db2.gz KEYQRSLFIQVNKA-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C1CC1 ZINC001723309246 1424343882 /nfs/dbraw/zinc/34/38/82/1424343882.db2.gz AQMCZIULPWRVMH-UHFFFAOYSA-N 0 0 341.415 3.282 10 5 EGBERN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000368492141 168363545 /nfs/dbraw/zinc/36/35/45/168363545.db2.gz MNQSALBSYJJWEU-SFHVURJKSA-N 0 0 325.368 3.227 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000368530030 168369329 /nfs/dbraw/zinc/36/93/29/168369329.db2.gz HWEHAVDNSAYZQH-GXTWGEPZSA-N 0 0 343.383 3.361 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1csc([N+](=O)[O-])c1 ZINC000368555680 168371941 /nfs/dbraw/zinc/37/19/41/168371941.db2.gz HYRWYQNBWHESIJ-ZIAGYGMSSA-N 0 0 332.381 3.306 10 5 EGBERN CSC1=N/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1Cc1ccco1 ZINC000004698178 210251706 /nfs/dbraw/zinc/25/17/06/210251706.db2.gz CFKIYXJSWYTYJW-XFFZJAGNSA-N 0 0 349.393 3.352 10 5 EGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000171915605 529468375 /nfs/dbraw/zinc/46/83/75/529468375.db2.gz DMTQIJLBNVYXGE-NSHDSACASA-N 0 0 330.388 3.495 10 5 EGBERN CNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000040595950 213356670 /nfs/dbraw/zinc/35/66/70/213356670.db2.gz VNUNALIPWRYWTL-UHFFFAOYSA-N 0 0 336.355 3.160 10 5 EGBERN CCOC(=O)c1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597477 213356171 /nfs/dbraw/zinc/35/61/71/213356171.db2.gz GEVLLZYAQWDBTQ-UHFFFAOYSA-N 0 0 345.359 3.125 10 5 EGBERN CNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3=O)c([N+](=O)[O-])c1 ZINC000069348796 215382924 /nfs/dbraw/zinc/38/29/24/215382924.db2.gz GYIXUFPMZZPIDK-UHFFFAOYSA-N 0 0 340.335 3.266 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000152080863 223907217 /nfs/dbraw/zinc/90/72/17/223907217.db2.gz ICWXKUSQJOWYQO-GJZGRUSLSA-N 0 0 346.333 3.335 10 5 EGBERN Cc1nc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)c(C)s1 ZINC000183497429 235109791 /nfs/dbraw/zinc/10/97/91/235109791.db2.gz YAHSMCXRCMHDBL-UHFFFAOYSA-N 0 0 335.385 3.091 10 5 EGBERN NC(=O)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000366989373 283355158 /nfs/dbraw/zinc/35/51/58/283355158.db2.gz XLDZITYYFAPXAD-AWEZNQCLSA-N 0 0 345.786 3.227 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1ccccn1 ZINC000071903396 215945101 /nfs/dbraw/zinc/94/51/01/215945101.db2.gz UKXQYGQXIHCDSR-CYBMUJFWSA-N 0 0 325.368 3.290 10 5 EGBERN C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000032679769 212825220 /nfs/dbraw/zinc/82/52/20/212825220.db2.gz GILLUZIKQSWFLG-NSHDSACASA-N 0 0 343.339 3.249 10 5 EGBERN CCc1nc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cs1 ZINC000107673563 219795629 /nfs/dbraw/zinc/79/56/29/219795629.db2.gz XFLGFMJOEWUPFW-UHFFFAOYSA-N 0 0 332.385 3.111 10 5 EGBERN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccnc1 ZINC000129780591 223090619 /nfs/dbraw/zinc/09/06/19/223090619.db2.gz RIEJUBIYRJIHMT-ZDUSSCGKSA-N 0 0 325.368 3.285 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000130528453 223159306 /nfs/dbraw/zinc/15/93/06/223159306.db2.gz LTGRQLTYAGVTTG-JTQLQIEISA-N 0 0 343.391 3.071 10 5 EGBERN Cc1c(C(=O)N2C[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000072545420 216270895 /nfs/dbraw/zinc/27/08/95/216270895.db2.gz RBBQBFZRXRHRRT-NXEZZACHSA-N 0 0 335.360 3.380 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1sc(C)nc1C ZINC000056022235 283695100 /nfs/dbraw/zinc/69/51/00/283695100.db2.gz ULYYKSJIOQQAKV-SECBINFHSA-N 0 0 334.401 3.201 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022389078 212294583 /nfs/dbraw/zinc/29/45/83/212294583.db2.gz SHSNUCPMMIJJPT-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN CC(C)COC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193786251 240306853 /nfs/dbraw/zinc/30/68/53/240306853.db2.gz JWVNWVFTACSBKV-UHFFFAOYSA-N 0 0 337.376 3.140 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000193867775 240341549 /nfs/dbraw/zinc/34/15/49/240341549.db2.gz LNRSRZMFCFZKJZ-CYBMUJFWSA-N 0 0 327.340 3.057 10 5 EGBERN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 ZINC000021125036 212210324 /nfs/dbraw/zinc/21/03/24/212210324.db2.gz YYJSYISXDDUSNU-UHFFFAOYSA-N 0 0 345.311 3.137 10 5 EGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021091095 212206120 /nfs/dbraw/zinc/20/61/20/212206120.db2.gz SRBLDBSCSQAQNL-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN CCC(=O)Oc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000021026054 212200583 /nfs/dbraw/zinc/20/05/83/212200583.db2.gz RPYLWRFYJXHUPK-UHFFFAOYSA-N 0 0 328.324 3.471 10 5 EGBERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179550071 284085925 /nfs/dbraw/zinc/08/59/25/284085925.db2.gz XUPYTGOYKDNOSG-OAHLLOKOSA-N 0 0 349.346 3.397 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000134019934 223465655 /nfs/dbraw/zinc/46/56/55/223465655.db2.gz NBXRUBHZINCLTK-UHFFFAOYSA-N 0 0 344.762 3.083 10 5 EGBERN COc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000019162120 212001631 /nfs/dbraw/zinc/00/16/31/212001631.db2.gz LPGLLRDXDIYMQA-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000345161794 284316996 /nfs/dbraw/zinc/31/69/96/284316996.db2.gz ILXNRKNSPYRAKP-AWEZNQCLSA-N 0 0 336.706 3.330 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000080983239 217346099 /nfs/dbraw/zinc/34/60/99/217346099.db2.gz YMGGASWUCXJQQK-DOMZBBRYSA-N 0 0 332.381 3.225 10 5 EGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC12CCC2 ZINC000408386515 296204524 /nfs/dbraw/zinc/20/45/24/296204524.db2.gz PVIWPGUJZCXFPT-UHFFFAOYSA-N 0 0 325.162 3.126 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000378388545 169112533 /nfs/dbraw/zinc/11/25/33/169112533.db2.gz IVUCBJNPCBAKAK-NVXWUHKLSA-N 0 0 326.352 3.102 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000408196420 169165118 /nfs/dbraw/zinc/16/51/18/169165118.db2.gz CBNXNOCOAAZCKM-KRWDZBQOSA-N 0 0 332.400 3.325 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189793832 284760891 /nfs/dbraw/zinc/76/08/91/284760891.db2.gz NDXVLEQVZJFFON-UHFFFAOYSA-N 0 0 344.392 3.365 10 5 EGBERN CC(C)NC(=O)c1ccc(Nc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000009156652 211047059 /nfs/dbraw/zinc/04/70/59/211047059.db2.gz WVVMHEDIJLOORY-UHFFFAOYSA-N 0 0 339.355 3.353 10 5 EGBERN COC(=O)c1cc(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)c(C)s1 ZINC000095410623 218347085 /nfs/dbraw/zinc/34/70/85/218347085.db2.gz BTUUOKONJJYLMK-UHFFFAOYSA-N 0 0 349.343 3.378 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000267414692 251036854 /nfs/dbraw/zinc/03/68/54/251036854.db2.gz PEAGMBLXZYMIQM-MRXNPFEDSA-N 0 0 328.372 3.283 10 5 EGBERN C[C@@]1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000152421614 223960684 /nfs/dbraw/zinc/96/06/84/223960684.db2.gz MTXNHOMVRMCNTH-HNNXBMFYSA-N 0 0 333.369 3.226 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152762936 224008869 /nfs/dbraw/zinc/00/88/69/224008869.db2.gz QSJCQYVAVKHFPP-MLGOLLRUSA-N 0 0 338.791 3.015 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000152763294 224009015 /nfs/dbraw/zinc/00/90/15/224009015.db2.gz QSJCQYVAVKHFPP-LRDDRELGSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1sc(C(=O)N[C@](C)(CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000152870605 224024053 /nfs/dbraw/zinc/02/40/53/224024053.db2.gz DJYRCYLHUFZHEE-OAHLLOKOSA-N 0 0 326.418 3.026 10 5 EGBERN COc1cccc([C@H]2CN(c3cc(OC)ccc3[N+](=O)[O-])CCO2)c1 ZINC000268810736 252262997 /nfs/dbraw/zinc/26/29/97/252262997.db2.gz HEXZGFGNMJAIPO-GOSISDBHSA-N 0 0 344.367 3.190 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H]2COC[C@@H]2C1 ZINC000367420803 285084743 /nfs/dbraw/zinc/08/47/43/285084743.db2.gz VGGAOZUUSQRLHV-OCAPTIKFSA-N 0 0 336.697 3.350 10 5 EGBERN O=[N+]([O-])c1ccccc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000015551518 285162766 /nfs/dbraw/zinc/16/27/66/285162766.db2.gz RGTVZAVZALWMEL-UHFFFAOYSA-N 0 0 349.272 3.315 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000339789588 285187877 /nfs/dbraw/zinc/18/78/77/285187877.db2.gz XYQHEJZNQHCUTB-UHFFFAOYSA-N 0 0 336.754 3.109 10 5 EGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153822761 224162785 /nfs/dbraw/zinc/16/27/85/224162785.db2.gz BRJCWIFTKDWADQ-OAHLLOKOSA-N 0 0 343.387 3.105 10 5 EGBERN COC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000131620175 533350832 /nfs/dbraw/zinc/35/08/32/533350832.db2.gz MTPVXOIYPGDFQV-QGZVFWFLSA-N 0 0 328.368 3.031 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000102734509 140859804 /nfs/dbraw/zinc/85/98/04/140859804.db2.gz RIYHVYLNOUFDIY-ZDUSSCGKSA-N 0 0 327.384 3.394 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COCCc1ccccc1 ZINC000103375465 140873227 /nfs/dbraw/zinc/87/32/27/140873227.db2.gz IVHSKTXGKOHFHV-CQSZACIVSA-N 0 0 340.379 3.132 10 5 EGBERN COc1cccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1F ZINC000338153508 141104901 /nfs/dbraw/zinc/10/49/01/141104901.db2.gz VKNDTSFWAKPQFG-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN Cn1ccnc1[C@@H](NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353451687 141298749 /nfs/dbraw/zinc/29/87/49/141298749.db2.gz WUKKEDHORBVONE-INIZCTEOSA-N 0 0 342.424 3.312 10 5 EGBERN C[C@H](C(=O)NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000356282673 141335425 /nfs/dbraw/zinc/33/54/25/141335425.db2.gz NYVKQHUCJFKZJE-QMMMGPOBSA-N 0 0 334.269 3.296 10 5 EGBERN COc1c(C(=O)N2CCCC[C@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000356292696 141337673 /nfs/dbraw/zinc/33/76/73/141337673.db2.gz ZKJPPBZVHGPOBO-HNNXBMFYSA-N 0 0 343.383 3.309 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[nH]c2cc(F)ccc21 ZINC000356814917 141346983 /nfs/dbraw/zinc/34/69/83/141346983.db2.gz KCVASUFLUBOQSJ-UHFFFAOYSA-N 0 0 328.303 3.182 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614943 144007681 /nfs/dbraw/zinc/00/76/81/144007681.db2.gz VAHPPSHDXQPZCX-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cn1ccnc1CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179369 144017053 /nfs/dbraw/zinc/01/70/53/144017053.db2.gz AVZZQSXDQSKTPS-UHFFFAOYSA-N 0 0 348.834 3.436 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172443099 144021280 /nfs/dbraw/zinc/02/12/80/144021280.db2.gz HLEFTHNGCXONJQ-DZGCQCFKSA-N 0 0 347.758 3.028 10 5 EGBERN CCOc1c(F)cccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173400885 144041077 /nfs/dbraw/zinc/04/10/77/144041077.db2.gz KVYROPWYGODTGT-UHFFFAOYSA-N 0 0 332.331 3.405 10 5 EGBERN Cn1cc(-c2cc(COc3ccc(Cl)cc3[N+](=O)[O-])on2)cn1 ZINC000183961551 144082853 /nfs/dbraw/zinc/08/28/53/144082853.db2.gz FFGVLTRMPGYEMW-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN Cn1cc(-c2cc(COc3cc([N+](=O)[O-])ccc3Cl)on2)cn1 ZINC000184016790 144083862 /nfs/dbraw/zinc/08/38/62/144083862.db2.gz OFNHHEJEYFKUMD-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc2c1OCC[C@@H]2O ZINC000184066779 144085543 /nfs/dbraw/zinc/08/55/43/144085543.db2.gz BSPISTSTVFMRRK-INIZCTEOSA-N 0 0 344.367 3.422 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](c2ccco2)C1 ZINC000184468276 144093268 /nfs/dbraw/zinc/09/32/68/144093268.db2.gz BHFVIBFCNIXQIL-IAQYHMDHSA-N 0 0 329.356 3.383 10 5 EGBERN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccccc1 ZINC000185453303 144112935 /nfs/dbraw/zinc/11/29/35/144112935.db2.gz YNSLGYFFRJPWSS-KRWDZBQOSA-N 0 0 337.335 3.469 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2ccnc3ccncc32)n1 ZINC000345525850 144247956 /nfs/dbraw/zinc/24/79/56/144247956.db2.gz DLTPUJHPLWPQAK-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc2cccnc21 ZINC000341226912 155213823 /nfs/dbraw/zinc/21/38/23/155213823.db2.gz HYVMISMROAACGG-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000370631698 299734184 /nfs/dbraw/zinc/73/41/84/299734184.db2.gz RTDWWTVBBWZRSM-ZDUSSCGKSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116041223 152040286 /nfs/dbraw/zinc/04/02/86/152040286.db2.gz FAXUBTWJNXODSG-LBPRGKRZSA-N 0 0 345.311 3.382 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000116688738 152073902 /nfs/dbraw/zinc/07/39/02/152073902.db2.gz BUNWAXLUQTVJMS-XMMPIXPASA-N 0 0 346.408 3.342 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000117614556 152106521 /nfs/dbraw/zinc/10/65/21/152106521.db2.gz VTLTYLFAAACRFY-ZDUSSCGKSA-N 0 0 326.352 3.167 10 5 EGBERN COCc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117673595 152111516 /nfs/dbraw/zinc/11/15/16/152111516.db2.gz RZBFRHYRNGTMDE-UHFFFAOYSA-N 0 0 341.776 3.032 10 5 EGBERN Cc1cc(COC(=O)[C@@H]2CCCN2c2nccs2)ccc1[N+](=O)[O-] ZINC000119085269 152172419 /nfs/dbraw/zinc/17/24/19/152172419.db2.gz YDDKPDLTKRCPQP-AWEZNQCLSA-N 0 0 347.396 3.072 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000120135050 152253745 /nfs/dbraw/zinc/25/37/45/152253745.db2.gz RQNVKBRULWKMEQ-MRXNPFEDSA-N 0 0 347.415 3.401 10 5 EGBERN CCOc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000120407902 152274255 /nfs/dbraw/zinc/27/42/55/152274255.db2.gz HKENOUDUEQLLBJ-UHFFFAOYSA-N 0 0 339.351 3.405 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O ZINC000155902135 152648395 /nfs/dbraw/zinc/64/83/95/152648395.db2.gz OXMQRJUDKOVYSP-UHFFFAOYSA-N 0 0 345.742 3.422 10 5 EGBERN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000173574712 152824074 /nfs/dbraw/zinc/82/40/74/152824074.db2.gz ZPERNLGKZCEXJC-HNNXBMFYSA-N 0 0 327.384 3.392 10 5 EGBERN COC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191086312 153174952 /nfs/dbraw/zinc/17/49/52/153174952.db2.gz GNXANGADIFCQOV-OAHLLOKOSA-N 0 0 344.367 3.029 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193243962 153283683 /nfs/dbraw/zinc/28/36/83/153283683.db2.gz NYBOTHZOWLUXNN-VIFPVBQESA-N 0 0 347.293 3.410 10 5 EGBERN Cc1c(Br)c(N[C@H]2CCC[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC000312731136 154152742 /nfs/dbraw/zinc/15/27/42/154152742.db2.gz JGOKHYDQMWRBSU-ZJUUUORDSA-N 0 0 344.209 3.024 10 5 EGBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1ccoc1C1CC1 ZINC000336945323 154243912 /nfs/dbraw/zinc/24/39/12/154243912.db2.gz LIOVABJBDIBLPO-UHFFFAOYSA-N 0 0 338.323 3.130 10 5 EGBERN Cc1cn([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nc1[N+](=O)[O-] ZINC000337936267 154572537 /nfs/dbraw/zinc/57/25/37/154572537.db2.gz HKEIEAHOJVGAFO-CQSZACIVSA-N 0 0 330.388 3.098 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000341039098 155127724 /nfs/dbraw/zinc/12/77/24/155127724.db2.gz MTMIYFZESDWYGP-CABCVRRESA-N 0 0 330.388 3.452 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343040193 155623887 /nfs/dbraw/zinc/62/38/87/155623887.db2.gz ZFXQNBHERDPGLY-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN COc1cc(NCc2ccnc(OC(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000343140781 155664849 /nfs/dbraw/zinc/66/48/49/155664849.db2.gz PDJHYJBRFHNUHX-UHFFFAOYSA-N 0 0 343.261 3.351 10 5 EGBERN C[C@@H](NC(=O)C(C)(C)COCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000344996846 155886951 /nfs/dbraw/zinc/88/69/51/155886951.db2.gz CYFLMLCCBWLWCB-SNVBAGLBSA-N 0 0 330.331 3.080 10 5 EGBERN CCNc1ccc(C(=O)N[C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346886288 156178581 /nfs/dbraw/zinc/17/85/81/156178581.db2.gz IAFNOFHUEPNZOO-GFCCVEGCSA-N 0 0 333.310 3.343 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000349106208 156355230 /nfs/dbraw/zinc/35/52/30/156355230.db2.gz JOJRKTZOEKCXET-LBPRGKRZSA-N 0 0 343.383 3.153 10 5 EGBERN CCc1cnccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349148169 156369616 /nfs/dbraw/zinc/36/96/16/156369616.db2.gz IZWPELRSVXRPBW-UHFFFAOYSA-N 0 0 339.273 3.245 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000365392250 157111413 /nfs/dbraw/zinc/11/14/13/157111413.db2.gz NQJIJTDLRYIZJK-MRXNPFEDSA-N 0 0 343.408 3.229 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000377918537 157438372 /nfs/dbraw/zinc/43/83/72/157438372.db2.gz RMPADXVWZSEQAO-GOEBONIOSA-N 0 0 339.395 3.392 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000105850389 162059648 /nfs/dbraw/zinc/05/96/48/162059648.db2.gz NQABYMJDBCMIGO-MRXNPFEDSA-N 0 0 342.399 3.231 10 5 EGBERN Cc1sc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000109546368 162105733 /nfs/dbraw/zinc/10/57/33/162105733.db2.gz GZBCPSCOZWTKMG-UHFFFAOYSA-N 0 0 344.352 3.196 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000129265033 162352138 /nfs/dbraw/zinc/35/21/38/162352138.db2.gz VAHXGUOGVAWLLE-BLLLJJGKSA-N 0 0 326.352 3.198 10 5 EGBERN Cc1ncsc1-c1nc(CNc2cc([N+](=O)[O-])ccc2F)no1 ZINC000133372498 162458021 /nfs/dbraw/zinc/45/80/21/162458021.db2.gz XVTUQBKXNLOWQW-UHFFFAOYSA-N 0 0 335.320 3.161 10 5 EGBERN C[C@@H]1C[C@H](CSCCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000336975480 163096100 /nfs/dbraw/zinc/09/61/00/163096100.db2.gz VLRXJBHOFGOLKF-CHWSQXEVSA-N 0 0 338.429 3.472 10 5 EGBERN O=C(COc1ccsc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337079061 163123101 /nfs/dbraw/zinc/12/31/01/163123101.db2.gz DNGFNXQZTJJBAC-UHFFFAOYSA-N 0 0 332.381 3.226 10 5 EGBERN Cc1sc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000338504308 163250758 /nfs/dbraw/zinc/25/07/58/163250758.db2.gz UHTMGXAHDAHPDQ-PEGIJTEDSA-N 0 0 326.418 3.288 10 5 EGBERN C[C@@H](NC(=O)NC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338583748 163283354 /nfs/dbraw/zinc/28/33/54/163283354.db2.gz RZGWGCITAUKDJV-CYBMUJFWSA-N 0 0 335.404 3.040 10 5 EGBERN CCOc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000338648845 163305241 /nfs/dbraw/zinc/30/52/41/163305241.db2.gz URXALGDFTCLQBR-UHFFFAOYSA-N 0 0 326.352 3.413 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338817734 163356017 /nfs/dbraw/zinc/35/60/17/163356017.db2.gz WDPCDKCIQPMHNH-AWEZNQCLSA-N 0 0 335.429 3.163 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354714050 166016038 /nfs/dbraw/zinc/01/60/38/166016038.db2.gz PXAKAQJMRWPMPV-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN CCNc1ccc(C(=O)N2CCCC[C@H](CCOC)C2)cc1[N+](=O)[O-] ZINC000342277253 163832561 /nfs/dbraw/zinc/83/25/61/163832561.db2.gz VGKJYYPWTVUTSA-CQSZACIVSA-N 0 0 349.431 3.305 10 5 EGBERN O=[N+]([O-])c1ccccc1CNCc1cnc(-c2ccncc2)s1 ZINC000343642135 164001080 /nfs/dbraw/zinc/00/10/80/164001080.db2.gz YMEGQVLOJICOKZ-UHFFFAOYSA-N 0 0 326.381 3.403 10 5 EGBERN CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000343789863 164035316 /nfs/dbraw/zinc/03/53/16/164035316.db2.gz IANUSJFDOXJOHK-ZDUSSCGKSA-N 0 0 346.383 3.200 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000344080384 164098964 /nfs/dbraw/zinc/09/89/64/164098964.db2.gz VNXNGEZWRKJZET-UHFFFAOYSA-N 0 0 346.770 3.246 10 5 EGBERN Cc1nc(CC2CC2)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344106120 164104190 /nfs/dbraw/zinc/10/41/90/164104190.db2.gz JXAWODFQQNYFKL-UHFFFAOYSA-N 0 0 345.424 3.285 10 5 EGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344159136 164116517 /nfs/dbraw/zinc/11/65/17/164116517.db2.gz ODOMOEHPNGBJQS-UHFFFAOYSA-N 0 0 326.356 3.077 10 5 EGBERN Cc1noc(COc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)n1 ZINC000344417207 164174809 /nfs/dbraw/zinc/17/48/09/164174809.db2.gz KHSYBKOPXHUOQZ-UHFFFAOYSA-N 0 0 327.300 3.004 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000344601134 164196806 /nfs/dbraw/zinc/19/68/06/164196806.db2.gz DIGJEOFFXHAXSM-UHFFFAOYSA-N 0 0 338.323 3.373 10 5 EGBERN C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000345545421 164212763 /nfs/dbraw/zinc/21/27/63/164212763.db2.gz QTVNNKMMMHZHFD-NWDGAFQWSA-N 0 0 331.372 3.011 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cccc(Cl)c3)no2)n1 ZINC000345663852 164237278 /nfs/dbraw/zinc/23/72/78/164237278.db2.gz MMLCMCREPFDDLT-UHFFFAOYSA-N 0 0 333.735 3.105 10 5 EGBERN Cc1oc(C2CC2)nc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345672702 164239519 /nfs/dbraw/zinc/23/95/19/164239519.db2.gz RNODDQBOFRYMCV-UHFFFAOYSA-N 0 0 327.300 3.068 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4cccnc4)on3)n2)cc1 ZINC000345699021 164246359 /nfs/dbraw/zinc/24/63/59/164246359.db2.gz HUILXOVGTMBPCT-UHFFFAOYSA-N 0 0 335.279 3.362 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346357294 164374532 /nfs/dbraw/zinc/37/45/32/164374532.db2.gz FZMNXPOIKHWYIQ-HNNXBMFYSA-N 0 0 343.383 3.092 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1OC ZINC000352026944 165199679 /nfs/dbraw/zinc/19/96/79/165199679.db2.gz LUSYZDVRYJJYPZ-UHFFFAOYSA-N 0 0 345.355 3.053 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccs2)C1 ZINC000352041528 165207131 /nfs/dbraw/zinc/20/71/31/165207131.db2.gz YVBVVZPUJMKFHQ-ZDUSSCGKSA-N 0 0 336.344 3.009 10 5 EGBERN CCC1(CC)CC(=O)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C(=O)C1 ZINC000352214272 165287887 /nfs/dbraw/zinc/28/78/87/165287887.db2.gz ODQYKHXSOVRKGN-UHFFFAOYSA-N 0 0 334.372 3.059 10 5 EGBERN COC(=O)c1ccc(F)c(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352281582 165324282 /nfs/dbraw/zinc/32/42/82/165324282.db2.gz UTIMDQCEEKULOA-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000355138858 166115599 /nfs/dbraw/zinc/11/55/99/166115599.db2.gz RYXNCOVVFUIVFA-ZETCQYMHSA-N 0 0 343.265 3.219 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCO1 ZINC000355164215 166121309 /nfs/dbraw/zinc/12/13/09/166121309.db2.gz CGZMLVJXZZIZEV-CYBMUJFWSA-N 0 0 338.429 3.348 10 5 EGBERN Cc1c(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355185911 166126723 /nfs/dbraw/zinc/12/67/23/166126723.db2.gz VJHBIHIVKVMZHK-KZULUSFZSA-N 0 0 334.416 3.210 10 5 EGBERN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccc1[O-] ZINC000355283294 166153140 /nfs/dbraw/zinc/15/31/40/166153140.db2.gz QWCYKMNJVARGBB-ZFWWWQNUSA-N 0 0 327.384 3.196 10 5 EGBERN CCc1cnc(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)s1 ZINC000355289917 166155231 /nfs/dbraw/zinc/15/52/31/166155231.db2.gz LEWYIEMELJWIBN-UHFFFAOYSA-N 0 0 344.396 3.068 10 5 EGBERN COc1c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355549160 166240513 /nfs/dbraw/zinc/24/05/13/166240513.db2.gz CVLGFPNQEWECAJ-JTQLQIEISA-N 0 0 330.344 3.023 10 5 EGBERN CSc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000355606934 166259107 /nfs/dbraw/zinc/25/91/07/166259107.db2.gz OKZMKRNFLCAGBR-GXTWGEPZSA-N 0 0 342.367 3.434 10 5 EGBERN COc1ccc(NC(=O)c2oc(CC(C)C)nc2C)cc1[N+](=O)[O-] ZINC000355858662 166330039 /nfs/dbraw/zinc/33/00/39/166330039.db2.gz AESASVCVLMXMMZ-UHFFFAOYSA-N 0 0 333.344 3.351 10 5 EGBERN CS(=O)(=O)c1ccc(SCc2csc([N+](=O)[O-])c2)cc1 ZINC000355918675 166347069 /nfs/dbraw/zinc/34/70/69/166347069.db2.gz BFHBKBVFDGOCLQ-UHFFFAOYSA-N 0 0 329.424 3.352 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000355944071 166354845 /nfs/dbraw/zinc/35/48/45/166354845.db2.gz QOOFNKVFIHTEQT-FRRDWIJNSA-N 0 0 348.399 3.278 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2ccc(F)cc2F)no1 ZINC000355984576 166366510 /nfs/dbraw/zinc/36/65/10/166366510.db2.gz LVGLMRQLKWMXGF-UHFFFAOYSA-N 0 0 332.266 3.217 10 5 EGBERN C[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1cccnc1 ZINC000356499081 166434568 /nfs/dbraw/zinc/43/45/68/166434568.db2.gz AUONNXRMXRRBRM-LBPRGKRZSA-N 0 0 339.355 3.179 10 5 EGBERN CC(C)(C)c1ccc(-c2nc(Cn3cccn3)no2)cc1[N+](=O)[O-] ZINC000356913782 166533927 /nfs/dbraw/zinc/53/39/27/166533927.db2.gz HOXOHUIQJOLPDN-UHFFFAOYSA-N 0 0 327.344 3.187 10 5 EGBERN CC[C@H](NC(=O)C(=O)c1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000359098644 167066485 /nfs/dbraw/zinc/06/64/85/167066485.db2.gz ATGGYWCZHSNEFT-INIZCTEOSA-N 0 0 344.342 3.493 10 5 EGBERN Cc1nnc(-c2cccc(Nc3nc(C)cc(C)c3[N+](=O)[O-])c2)n1C ZINC000359105931 167068734 /nfs/dbraw/zinc/06/87/34/167068734.db2.gz XPMABSKEGIPSIL-UHFFFAOYSA-N 0 0 338.371 3.454 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359138707 167078406 /nfs/dbraw/zinc/07/84/06/167078406.db2.gz DSALIMRGMSLOOA-KBXCAEBGSA-N 0 0 331.416 3.436 10 5 EGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cncc(F)c1 ZINC000359556004 167192292 /nfs/dbraw/zinc/19/22/92/167192292.db2.gz TYVQCKCYHADJNS-VIFPVBQESA-N 0 0 329.287 3.366 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000359566603 167194947 /nfs/dbraw/zinc/19/49/47/167194947.db2.gz SOJSVDMFRUBQAH-UWVGGRQHSA-N 0 0 328.315 3.314 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359566602 167195315 /nfs/dbraw/zinc/19/53/15/167195315.db2.gz SOJSVDMFRUBQAH-NXEZZACHSA-N 0 0 328.315 3.314 10 5 EGBERN Cc1nn(C)c2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc12 ZINC000360534683 167352072 /nfs/dbraw/zinc/35/20/72/167352072.db2.gz IQJBJTIWCMAWMC-UHFFFAOYSA-N 0 0 330.369 3.412 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CCc1ccc(C)o1 ZINC000361280573 167578805 /nfs/dbraw/zinc/57/88/05/167578805.db2.gz JCMVZGQTHQCEGW-NSHDSACASA-N 0 0 331.372 3.289 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000361287564 167580694 /nfs/dbraw/zinc/58/06/94/167580694.db2.gz LOIBZKGSGMHFJW-MRVPVSSYSA-N 0 0 329.143 3.181 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000365027140 168013579 /nfs/dbraw/zinc/01/35/79/168013579.db2.gz NEEPWAMCKMSCJO-MRXNPFEDSA-N 0 0 346.350 3.463 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000367204754 168193262 /nfs/dbraw/zinc/19/32/62/168193262.db2.gz MFYGEAGVWRHZFE-KRWDZBQOSA-N 0 0 332.306 3.445 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000367819333 168273946 /nfs/dbraw/zinc/27/39/46/168273946.db2.gz LJXTUDWTMWWQEA-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3nc[nH]c3C2)cc1C(F)(F)F ZINC000367905819 168282439 /nfs/dbraw/zinc/28/24/39/168282439.db2.gz CAYILJSVSVDVAV-VIFPVBQESA-N 0 0 326.278 3.306 10 5 EGBERN COc1ccc(F)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000088535675 264704066 /nfs/dbraw/zinc/70/40/66/264704066.db2.gz UPHXXIHXXYKSIP-UHFFFAOYSA-N 0 0 344.302 3.405 10 5 EGBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1ccccc1C ZINC000174984123 265084061 /nfs/dbraw/zinc/08/40/61/265084061.db2.gz RSEPXLOGGHHYGT-OAHLLOKOSA-N 0 0 343.383 3.194 10 5 EGBERN CCOc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000176952686 265217638 /nfs/dbraw/zinc/21/76/38/265217638.db2.gz WJEPWYGBPIXMCK-GFCCVEGCSA-N 0 0 336.388 3.162 10 5 EGBERN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000183405736 265441166 /nfs/dbraw/zinc/44/11/66/265441166.db2.gz HPVHGZCFFOMDJG-BBRMVZONSA-N 0 0 335.404 3.012 10 5 EGBERN CC(C)c1ccc(C(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000190195052 265824358 /nfs/dbraw/zinc/82/43/58/265824358.db2.gz GLUNGVICNIYWBZ-UHFFFAOYSA-N 0 0 328.368 3.396 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1ccccc1O ZINC000191367562 265901508 /nfs/dbraw/zinc/90/15/08/265901508.db2.gz OVNVKTWGPYRVIB-UHFFFAOYSA-N 0 0 329.356 3.281 10 5 EGBERN COc1cccc(C(=O)NC[C@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000194411773 266115273 /nfs/dbraw/zinc/11/52/73/266115273.db2.gz RECRNGOXKXNUNC-ZDUSSCGKSA-N 0 0 328.368 3.445 10 5 EGBERN Cc1c(CC(=O)N[C@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000269629877 266329479 /nfs/dbraw/zinc/32/94/79/266329479.db2.gz OZQXYPHVNKYYPS-INIZCTEOSA-N 0 0 328.343 3.389 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000275520379 267372774 /nfs/dbraw/zinc/37/27/74/267372774.db2.gz JNABNRQINVTMSW-DZGCQCFKSA-N 0 0 335.404 3.164 10 5 EGBERN CC[C@@H]1C(=O)N([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CC1 ZINC000277746602 267859598 /nfs/dbraw/zinc/85/95/98/267859598.db2.gz VAZNBBKATFRCFP-BXUZGUMPSA-N 0 0 331.372 3.169 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@@H](c3cccs3)C1)CCN2 ZINC000278413975 268007622 /nfs/dbraw/zinc/00/76/22/268007622.db2.gz OBSLFLUZXVHMCM-CQSZACIVSA-N 0 0 331.397 3.202 10 5 EGBERN C[C@H](OCc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375535 275161796 /nfs/dbraw/zinc/16/17/96/275161796.db2.gz XUAZVJDEHVKXSW-KBPBESRZSA-N 0 0 340.379 3.478 10 5 EGBERN CN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181787953 275209433 /nfs/dbraw/zinc/20/94/33/275209433.db2.gz UPCIWFYXRRDASJ-SNVBAGLBSA-N 0 0 347.293 3.256 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000182283180 275399984 /nfs/dbraw/zinc/39/99/84/275399984.db2.gz KHHALACDROBJNY-BYIUCRAPSA-N 0 0 343.383 3.010 10 5 EGBERN CC(C)n1ncnc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000280652902 275477777 /nfs/dbraw/zinc/47/77/77/275477777.db2.gz AKIMKAJKAFWRLC-UHFFFAOYSA-N 0 0 329.282 3.398 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280759519 275492720 /nfs/dbraw/zinc/49/27/20/275492720.db2.gz NICSIQSVUWRRLI-LLVKDONJSA-N 0 0 331.376 3.334 10 5 EGBERN CCOCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280810145 275497691 /nfs/dbraw/zinc/49/76/91/275497691.db2.gz VOKBONZHOLYIPX-UHFFFAOYSA-N 0 0 345.193 3.421 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1O ZINC000108173430 275533371 /nfs/dbraw/zinc/53/33/71/275533371.db2.gz ANVDDMBRGZIHKD-WMLDXEAASA-N 0 0 329.400 3.376 10 5 EGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000281377419 275544454 /nfs/dbraw/zinc/54/44/54/275544454.db2.gz OWQBPOBMMZDKPE-HNNXBMFYSA-N 0 0 347.350 3.227 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000286515593 276010633 /nfs/dbraw/zinc/01/06/33/276010633.db2.gz XAKBPHQCEUOAJD-LLVKDONJSA-N 0 0 345.355 3.267 10 5 EGBERN COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570714 276017978 /nfs/dbraw/zinc/01/79/78/276017978.db2.gz POPWHXZFOKIQQU-IINYFYTJSA-N 0 0 346.305 3.083 10 5 EGBERN CC(C)c1[nH]nc(C(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-] ZINC000344955843 276041970 /nfs/dbraw/zinc/04/19/70/276041970.db2.gz ZWSOYRKFYYFHPQ-UHFFFAOYSA-N 0 0 330.344 3.019 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000288452980 276215823 /nfs/dbraw/zinc/21/58/23/276215823.db2.gz PNZVQADEWABEDV-XHDPSFHLSA-N 0 0 341.367 3.282 10 5 EGBERN COCCC1(C)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000288697195 276243145 /nfs/dbraw/zinc/24/31/45/276243145.db2.gz BQBHRRNLDKKKOQ-UHFFFAOYSA-N 0 0 329.194 3.220 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000288961523 276272041 /nfs/dbraw/zinc/27/20/41/276272041.db2.gz TWLVOJCVWYCJNC-ABAIWWIYSA-N 0 0 348.378 3.225 10 5 EGBERN CC(C)OCc1nc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000289423977 276336897 /nfs/dbraw/zinc/33/68/97/276336897.db2.gz CMBBWJZAKULMCH-RYUDHWBXSA-N 0 0 334.376 3.315 10 5 EGBERN Cc1cnn([C@@H]2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000291597805 276664602 /nfs/dbraw/zinc/66/46/02/276664602.db2.gz FYCFERPXCLHCMS-CYBMUJFWSA-N 0 0 348.790 3.149 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1F ZINC000103377076 277875919 /nfs/dbraw/zinc/87/59/19/277875919.db2.gz PQDVQVMGRTWLBL-SNVBAGLBSA-N 0 0 330.315 3.334 10 5 EGBERN C[C@@H]1C[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341062197 278013937 /nfs/dbraw/zinc/01/39/37/278013937.db2.gz BATPDVWGBMJBLE-ZIAGYGMSSA-N 0 0 327.384 3.254 10 5 EGBERN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000362461668 279817848 /nfs/dbraw/zinc/81/78/48/279817848.db2.gz XKPWREGMULEAHV-UHFFFAOYSA-N 0 0 331.294 3.308 10 5 EGBERN CC[C@H](c1ccncc1)N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342359307 288170518 /nfs/dbraw/zinc/17/05/18/288170518.db2.gz LPURZOUBIRBYMM-CQSZACIVSA-N 0 0 344.371 3.067 10 5 EGBERN C[C@H]1c2ccccc2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354532556 280129409 /nfs/dbraw/zinc/12/94/09/280129409.db2.gz BPCLQULNFVJCQL-VIFPVBQESA-N 0 0 338.410 3.141 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000350895472 280399297 /nfs/dbraw/zinc/39/92/97/280399297.db2.gz HBZXJRHZNJFOQR-SFHVURJKSA-N 0 0 325.368 3.242 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](C)C2 ZINC000183614119 281111015 /nfs/dbraw/zinc/11/10/15/281111015.db2.gz OEKUMWKBYOVBES-MEDUHNTESA-N 0 0 326.356 3.353 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000173380406 295253480 /nfs/dbraw/zinc/25/34/80/295253480.db2.gz AJBZODPBGGFPQN-AWEZNQCLSA-N 0 0 347.396 3.427 10 5 EGBERN COc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000341274126 295288509 /nfs/dbraw/zinc/28/85/09/295288509.db2.gz ZSHBXZDJYUKWIY-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135394835 302776239 /nfs/dbraw/zinc/77/62/39/302776239.db2.gz JSAOMDRLIJEFJI-CQSZACIVSA-N 0 0 346.362 3.062 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cc[nH]n2)c(Br)c1 ZINC000376380472 304803226 /nfs/dbraw/zinc/80/32/26/304803226.db2.gz AKIGGBVTHOGFTP-ZDUSSCGKSA-N 0 0 337.177 3.422 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000055712870 307341398 /nfs/dbraw/zinc/34/13/98/307341398.db2.gz BWKSCSCKMWLKKW-OAHLLOKOSA-N 0 0 331.759 3.369 10 5 EGBERN CC(C)C1CCC2(CC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000057948267 307347793 /nfs/dbraw/zinc/34/77/93/307347793.db2.gz ZCGCQLJUAOTASO-UHFFFAOYSA-N 0 0 345.399 3.232 10 5 EGBERN CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242069 307356630 /nfs/dbraw/zinc/35/66/30/307356630.db2.gz FFRRFZNEHHFGDE-UHFFFAOYSA-N 0 0 340.426 3.257 10 5 EGBERN C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327411 307361750 /nfs/dbraw/zinc/36/17/50/307361750.db2.gz RZDUVVKAQFWOPB-SNVBAGLBSA-N 0 0 326.399 3.038 10 5 EGBERN O=C(NCCCc1cccc(F)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000069071611 307373516 /nfs/dbraw/zinc/37/35/16/307373516.db2.gz HUQXDLLEMBYJOU-UHFFFAOYSA-N 0 0 331.347 3.166 10 5 EGBERN Cc1ccc(OCC(=O)N(CC(C)C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000077223323 307411367 /nfs/dbraw/zinc/41/13/67/307411367.db2.gz RFPZYTQJSINFSO-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000087392212 307446277 /nfs/dbraw/zinc/44/62/77/307446277.db2.gz VPSCHTGITTUPDK-UHFFFAOYSA-N 0 0 340.332 3.373 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C[C@H]2C)cc1OC ZINC000413969821 309054758 /nfs/dbraw/zinc/05/47/58/309054758.db2.gz FNOOCNBMRZNGHE-LLVKDONJSA-N 0 0 336.388 3.263 10 5 EGBERN CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000413978556 309055091 /nfs/dbraw/zinc/05/50/91/309055091.db2.gz PTKLTVDYWGGGQR-BXUZGUMPSA-N 0 0 328.796 3.082 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000132895291 307664159 /nfs/dbraw/zinc/66/41/59/307664159.db2.gz DPQXZAMFIQCRRB-UHFFFAOYSA-N 0 0 330.319 3.264 10 5 EGBERN CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134060487 307681136 /nfs/dbraw/zinc/68/11/36/307681136.db2.gz QVNNXKPGNMIGLU-UHFFFAOYSA-N 0 0 348.424 3.335 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000135240920 307700011 /nfs/dbraw/zinc/70/00/11/307700011.db2.gz XXMURWYYQARFRL-UHFFFAOYSA-N 0 0 340.339 3.402 10 5 EGBERN Cc1ccc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000151748754 307738432 /nfs/dbraw/zinc/73/84/32/307738432.db2.gz HRNCYSPRZYHWGK-ACJLOTCBSA-N 0 0 340.379 3.367 10 5 EGBERN COc1ccccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000157873517 307851603 /nfs/dbraw/zinc/85/16/03/307851603.db2.gz WNZXQXAGTQUMFZ-UHFFFAOYSA-N 0 0 327.340 3.194 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000160506794 307890894 /nfs/dbraw/zinc/89/08/94/307890894.db2.gz KRAYOPQYVLPELC-AWEZNQCLSA-N 0 0 342.395 3.323 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161286812 307900990 /nfs/dbraw/zinc/90/09/90/307900990.db2.gz MPSWSLDLLYTFDK-IINYFYTJSA-N 0 0 332.322 3.291 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000166493675 307930995 /nfs/dbraw/zinc/93/09/95/307930995.db2.gz WLHWJSQUJVEHJJ-SECBINFHSA-N 0 0 344.314 3.197 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000249164793 308020754 /nfs/dbraw/zinc/02/07/54/308020754.db2.gz JZNQITVPUYTGGI-UNEWFSDZSA-N 0 0 334.416 3.047 10 5 EGBERN COCCC1(C)CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000292931162 308081283 /nfs/dbraw/zinc/08/12/83/308081283.db2.gz FPZBLMRHDKZBTL-UHFFFAOYSA-N 0 0 326.780 3.055 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000292964867 308084631 /nfs/dbraw/zinc/08/46/31/308084631.db2.gz GVMULVCPKRJRRQ-ABAIWWIYSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1cc(NCCc2cccc(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000292989225 308087659 /nfs/dbraw/zinc/08/76/59/308087659.db2.gz IMFLYIGJMYAMNN-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCCc1cccc(C(F)(F)F)n1 ZINC000293201198 308109021 /nfs/dbraw/zinc/10/90/21/308109021.db2.gz URMRXGABJGUYGY-UHFFFAOYSA-N 0 0 326.278 3.367 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)[C@H]1C ZINC000293870915 308169362 /nfs/dbraw/zinc/16/93/62/308169362.db2.gz AURGGQRJSWLOKJ-RQJHMYQMSA-N 0 0 347.596 3.491 10 5 EGBERN Cc1sc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000295290655 308311370 /nfs/dbraw/zinc/31/13/70/308311370.db2.gz DJHAUFUOUSTBMS-UHFFFAOYSA-N 0 0 338.429 3.122 10 5 EGBERN C[C@@]1(F)CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295417183 308324683 /nfs/dbraw/zinc/32/46/83/308324683.db2.gz NDRWJCSVJPYNTD-CQSZACIVSA-N 0 0 329.759 3.011 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000295428502 308325664 /nfs/dbraw/zinc/32/56/64/308325664.db2.gz DLSHYNBUICJTKC-CYBMUJFWSA-N 0 0 345.168 3.322 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@@H]1C ZINC000296049811 308388564 /nfs/dbraw/zinc/38/85/64/308388564.db2.gz TYPPLQOBIHUEQV-LKFCYVNXSA-N 0 0 326.780 3.054 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296136602 308397175 /nfs/dbraw/zinc/39/71/75/308397175.db2.gz CLTJSJXKUYJKNQ-CMPLNLGQSA-N 0 0 345.321 3.467 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296136615 308397285 /nfs/dbraw/zinc/39/72/85/308397285.db2.gz CLTJSJXKUYJKNQ-ZYHUDNBSSA-N 0 0 345.321 3.467 10 5 EGBERN Cc1cc(OS(=O)(=O)C[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000296137313 308397583 /nfs/dbraw/zinc/39/75/83/308397583.db2.gz ZMAFGQQYGUTJTQ-SNVBAGLBSA-N 0 0 335.328 3.047 10 5 EGBERN COc1ccc(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000296966305 308485065 /nfs/dbraw/zinc/48/50/65/308485065.db2.gz WTLOOASUUUYSTA-GXTWGEPZSA-N 0 0 341.314 3.112 10 5 EGBERN Cc1c(NC(=O)NOCC2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000297246253 308514219 /nfs/dbraw/zinc/51/42/19/308514219.db2.gz WXKSFEIZSKGZIX-UHFFFAOYSA-N 0 0 344.165 3.129 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CCOCC2)cc1 ZINC000301152119 308690028 /nfs/dbraw/zinc/69/00/28/308690028.db2.gz DOELDCOOLWDBJQ-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN O=C(CC1CCCCC1)NCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301278668 308694706 /nfs/dbraw/zinc/69/47/06/308694706.db2.gz NCRVKSIOUHOWMP-UHFFFAOYSA-N 0 0 340.811 3.142 10 5 EGBERN COc1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000301618600 308707680 /nfs/dbraw/zinc/70/76/80/308707680.db2.gz LEIKGXWELDOZDZ-GFCCVEGCSA-N 0 0 348.790 3.343 10 5 EGBERN COc1cc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301641414 308708693 /nfs/dbraw/zinc/70/86/93/308708693.db2.gz YXTMUXHRGZGCSL-UHFFFAOYSA-N 0 0 331.347 3.069 10 5 EGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000301685819 308710855 /nfs/dbraw/zinc/71/08/55/308710855.db2.gz WUKLVHCZXNMRTA-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN C[C@H](Cc1ccccc1F)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301687278 308710935 /nfs/dbraw/zinc/71/09/35/308710935.db2.gz MEXLESGMCXBDQW-SNVBAGLBSA-N 0 0 345.330 3.108 10 5 EGBERN CCO[C@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C12CCC2 ZINC000301700915 308711641 /nfs/dbraw/zinc/71/16/41/308711641.db2.gz SKYCJXTXQMSEJN-CABCVRRESA-N 0 0 348.399 3.449 10 5 EGBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000301773447 308714704 /nfs/dbraw/zinc/71/47/04/308714704.db2.gz FMQNRFIZIKRWFX-NTZNESFSSA-N 0 0 326.418 3.235 10 5 EGBERN NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301793096 308715447 /nfs/dbraw/zinc/71/54/47/308715447.db2.gz RRUUBQWFLOGFGA-MNOVXSKESA-N 0 0 345.321 3.460 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-n2ccnn2)cc1 ZINC000301812881 308716374 /nfs/dbraw/zinc/71/63/74/308716374.db2.gz CBVZOYCEACYHIJ-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN COc1ccc(CC[C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000302015924 308725287 /nfs/dbraw/zinc/72/52/87/308725287.db2.gz YLINEPALILXXBW-LBPRGKRZSA-N 0 0 341.371 3.079 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CC(C)(C)OC2(C)C)cc(C)c1[N+](=O)[O-] ZINC000302018299 308725365 /nfs/dbraw/zinc/72/53/65/308725365.db2.gz CURIBGUZNPDWIL-CYBMUJFWSA-N 0 0 336.388 3.448 10 5 EGBERN Cc1ccc(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cc1C ZINC000302065786 308727901 /nfs/dbraw/zinc/72/79/01/308727901.db2.gz UHCVKDVCRGSYAZ-UHFFFAOYSA-N 0 0 341.411 3.031 10 5 EGBERN COC(=O)c1ccc(F)c(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000302185458 308732358 /nfs/dbraw/zinc/73/23/58/308732358.db2.gz PEERLITUAXXRGK-UHFFFAOYSA-N 0 0 339.710 3.181 10 5 EGBERN Cc1ccc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000302717558 308742859 /nfs/dbraw/zinc/74/28/59/308742859.db2.gz KASXATSMKNEZGJ-MRXNPFEDSA-N 0 0 343.358 3.255 10 5 EGBERN Cc1cc(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O ZINC000302780449 308745254 /nfs/dbraw/zinc/74/52/54/308745254.db2.gz RGWIUZZIFGJYLW-UHFFFAOYSA-N 0 0 331.328 3.480 10 5 EGBERN CCC(=O)N[C@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302833904 308747564 /nfs/dbraw/zinc/74/75/64/308747564.db2.gz SRUPVMSXVBUENS-NSHDSACASA-N 0 0 325.796 3.052 10 5 EGBERN CC(C)C[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331137636 308802467 /nfs/dbraw/zinc/80/24/67/308802467.db2.gz QIDWUMZUNJXIED-NSHDSACASA-N 0 0 326.343 3.453 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000412824703 309004581 /nfs/dbraw/zinc/00/45/81/309004581.db2.gz IGQAQHDMSRJAQV-VIFPVBQESA-N 0 0 348.380 3.494 10 5 EGBERN CC1(C)CCC[C@@H](n2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1=O ZINC000412997317 309011347 /nfs/dbraw/zinc/01/13/47/309011347.db2.gz WVUJXWPOIDNMKI-OAHLLOKOSA-N 0 0 341.367 3.139 10 5 EGBERN CC[C@@H](NC(=O)NC[C@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000416746141 309179357 /nfs/dbraw/zinc/17/93/57/309179357.db2.gz GVNRUYOIIFLGOE-JKSUJKDBSA-N 0 0 337.420 3.406 10 5 EGBERN Cc1ccc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1C ZINC000417650625 309216013 /nfs/dbraw/zinc/21/60/13/309216013.db2.gz LULZJEBVFLPAQS-SFHVURJKSA-N 0 0 342.395 3.306 10 5 EGBERN O=C([O-])[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C1CCC1)C1CCC1 ZINC000417661413 309216702 /nfs/dbraw/zinc/21/67/02/309216702.db2.gz RWMDRLYFUHFOQM-QGZVFWFLSA-N 0 0 332.400 3.354 10 5 EGBERN COC1(C(F)(F)F)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000418981726 309259127 /nfs/dbraw/zinc/25/91/27/309259127.db2.gz GXODLGDCFJYVIH-UHFFFAOYSA-N 0 0 333.310 3.154 10 5 EGBERN COc1cc(CSCc2cn(CC3CC3)nn2)ccc1[N+](=O)[O-] ZINC000419588948 309270144 /nfs/dbraw/zinc/27/01/44/309270144.db2.gz RMEGZNXUFRHVGZ-UHFFFAOYSA-N 0 0 334.401 3.038 10 5 EGBERN CCCC1(c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)CCC1 ZINC000420513993 309288982 /nfs/dbraw/zinc/28/89/82/309288982.db2.gz BGWPHLDQWKFHLD-UHFFFAOYSA-N 0 0 333.392 3.256 10 5 EGBERN CC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000420622813 309290521 /nfs/dbraw/zinc/29/05/21/309290521.db2.gz UBSWWYXOYQUXPW-CABCVRRESA-N 0 0 347.415 3.200 10 5 EGBERN Cc1c(CC(=O)NC[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421586961 309330912 /nfs/dbraw/zinc/33/09/12/309330912.db2.gz GXDJMOBLWLMVIL-AWEZNQCLSA-N 0 0 334.441 3.095 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](C2CCCC2)C1 ZINC000421647473 309333012 /nfs/dbraw/zinc/33/30/12/309333012.db2.gz VKJBYDDPVHYRRF-GFCCVEGCSA-N 0 0 338.354 3.454 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424997760 309461391 /nfs/dbraw/zinc/46/13/91/309461391.db2.gz JYIOHPWUQPZCEZ-FUHWJXTLSA-N 0 0 344.342 3.117 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000425440362 309480314 /nfs/dbraw/zinc/48/03/14/309480314.db2.gz GOEOBIAKXSCRRU-VWYCJHECSA-N 0 0 343.221 3.355 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000427332327 309526961 /nfs/dbraw/zinc/52/69/61/309526961.db2.gz SXCCEPJCBSRFNQ-JOYOIKCWSA-N 0 0 346.305 3.406 10 5 EGBERN COc1ccc(F)cc1[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427990310 309539867 /nfs/dbraw/zinc/53/98/67/309539867.db2.gz IEJVUOUJFVGTNS-VIFPVBQESA-N 0 0 330.319 3.214 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1noc(Cc2ccccc2)n1 ZINC000428700240 309559263 /nfs/dbraw/zinc/55/92/63/309559263.db2.gz LHJPOCYYBGIGJG-NSHDSACASA-N 0 0 325.328 3.137 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000430235091 309602661 /nfs/dbraw/zinc/60/26/61/309602661.db2.gz CHWKMIIYXLZKLL-LBPRGKRZSA-N 0 0 339.189 3.420 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 ZINC000433622667 309692883 /nfs/dbraw/zinc/69/28/83/309692883.db2.gz CLLHYCARKOIZOP-UHFFFAOYSA-N 0 0 339.355 3.310 10 5 EGBERN CC(C)c1nnc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000442546527 309882232 /nfs/dbraw/zinc/88/22/32/309882232.db2.gz WCBJHWDWTMVPNC-UHFFFAOYSA-N 0 0 348.428 3.322 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)s1 ZINC000445525097 309942864 /nfs/dbraw/zinc/94/28/64/309942864.db2.gz LRRVIBONTPDOBH-UHFFFAOYSA-N 0 0 340.267 3.370 10 5 EGBERN CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000447070394 309973469 /nfs/dbraw/zinc/97/34/69/309973469.db2.gz ZOXKODAZNBTQLW-AWEZNQCLSA-N 0 0 331.416 3.313 10 5 EGBERN CC(C)(C)OC1CC(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447677844 309985608 /nfs/dbraw/zinc/98/56/08/309985608.db2.gz HRLRITLESYQRLG-UHFFFAOYSA-N 0 0 332.404 3.289 10 5 EGBERN Cc1cc(C(=O)Nc2cc(-c3ccccc3F)on2)cc([N+](=O)[O-])c1 ZINC000448492134 310004745 /nfs/dbraw/zinc/00/47/45/310004745.db2.gz LECWJRYHHVBABJ-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN CC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000449907910 310093497 /nfs/dbraw/zinc/09/34/97/310093497.db2.gz QQRJXHMKGXBJSK-CYBMUJFWSA-N 0 0 347.396 3.282 10 5 EGBERN CCC1(CC)CN(c2nccc3c2cccc3[N+](=O)[O-])CC[S@@]1=O ZINC000450447443 310123288 /nfs/dbraw/zinc/12/32/88/310123288.db2.gz VRKLURGWKLGRER-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN CC(F)(F)CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450553692 310129803 /nfs/dbraw/zinc/12/98/03/310129803.db2.gz JFODYQFQFCWTNC-UHFFFAOYSA-N 0 0 343.374 3.274 10 5 EGBERN CC(C)[C@@H]1C[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000450740189 310140305 /nfs/dbraw/zinc/14/03/05/310140305.db2.gz SUARUVIIVLIGPU-DYVFJYSZSA-N 0 0 329.400 3.428 10 5 EGBERN CCn1nnc(C)c1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000450821513 310144181 /nfs/dbraw/zinc/14/41/81/310144181.db2.gz RGHKFYHNQABBSY-UHFFFAOYSA-N 0 0 330.266 3.112 10 5 EGBERN CCCc1ncc(CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])o1 ZINC000450858371 310146192 /nfs/dbraw/zinc/14/61/92/310146192.db2.gz KYAJWYJUWUXOPX-UHFFFAOYSA-N 0 0 342.355 3.126 10 5 EGBERN COC[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000450947502 310151453 /nfs/dbraw/zinc/15/14/53/310151453.db2.gz NRIOUADOEFNUEL-JTQLQIEISA-N 0 0 344.209 3.005 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276457 310169375 /nfs/dbraw/zinc/16/93/75/310169375.db2.gz ZGLUEULCTNIIIF-YJBOKZPZSA-N 0 0 348.349 3.034 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451960008 310205189 /nfs/dbraw/zinc/20/51/89/310205189.db2.gz ZCBTVDYWLRJKNK-QWHCGFSZSA-N 0 0 335.404 3.052 10 5 EGBERN CC(C)(C(=O)NCCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000452199387 310218251 /nfs/dbraw/zinc/21/82/51/310218251.db2.gz LQXGEOINYQHDAB-UHFFFAOYSA-N 0 0 334.416 3.195 10 5 EGBERN C[C@@]12CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452606259 310234448 /nfs/dbraw/zinc/23/44/48/310234448.db2.gz YDKQUUHXXGYSTG-GJRWTSMGSA-N 0 0 341.411 3.067 10 5 EGBERN CC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(F)F ZINC000452662741 310236374 /nfs/dbraw/zinc/23/63/74/310236374.db2.gz ARTDBJNBVDCQGX-ZETCQYMHSA-N 0 0 326.221 3.387 10 5 EGBERN Cc1cc(-c2noc([C@@H]3CCCc4nccn43)n2)cc([N+](=O)[O-])c1 ZINC000453255917 310267058 /nfs/dbraw/zinc/26/70/58/310267058.db2.gz FUJZDBSVNBCXOY-ZDUSSCGKSA-N 0 0 325.328 3.075 10 5 EGBERN C[C@H](NC(=O)N1CCOC[C@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000454373472 310306130 /nfs/dbraw/zinc/30/61/30/310306130.db2.gz USNAYGGPKFUULP-SUMWQHHRSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1c(CNC(=O)N2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000454855895 310332814 /nfs/dbraw/zinc/33/28/14/310332814.db2.gz NYOYWQFUVBOJLO-MRXNPFEDSA-N 0 0 347.415 3.004 10 5 EGBERN Cc1c(CNC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454860406 310333025 /nfs/dbraw/zinc/33/30/25/310333025.db2.gz VBBFLTZOHGEPKP-WMLDXEAASA-N 0 0 349.431 3.154 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000455145231 310347095 /nfs/dbraw/zinc/34/70/95/310347095.db2.gz RJCNNAZVHKGTKN-CQSZACIVSA-N 0 0 335.404 3.492 10 5 EGBERN CCC1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000455397144 310358897 /nfs/dbraw/zinc/35/88/97/310358897.db2.gz FYBHBLMPHNAAFI-UHFFFAOYSA-N 0 0 328.166 3.421 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000455487807 310363426 /nfs/dbraw/zinc/36/34/26/310363426.db2.gz QMNYOJVTBMOTPH-BYCMXARLSA-N 0 0 343.387 3.248 10 5 EGBERN CC[C@H](NC(=O)NCCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000455599883 310368807 /nfs/dbraw/zinc/36/88/07/310368807.db2.gz HNLBGUKXCDEFQV-KRWDZBQOSA-N 0 0 342.399 3.291 10 5 EGBERN CCCc1ncc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000456497423 310409201 /nfs/dbraw/zinc/40/92/01/310409201.db2.gz GKMHREGJRLDYQE-UHFFFAOYSA-N 0 0 331.372 3.129 10 5 EGBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456883236 310427290 /nfs/dbraw/zinc/42/72/90/310427290.db2.gz PZUMDCOHFGUPAA-GWCFXTLKSA-N 0 0 339.189 3.133 10 5 EGBERN CC[C@H](NC(=O)NC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000458511783 310507562 /nfs/dbraw/zinc/50/75/62/310507562.db2.gz QAQBHFCVNGSTIX-BCLQGDPASA-N 0 0 335.404 3.303 10 5 EGBERN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468874882 310695302 /nfs/dbraw/zinc/69/53/02/310695302.db2.gz GNCNOVRCDFFAKK-SKDRFNHKSA-N 0 0 333.310 3.242 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC/C=C/c1ccccc1 ZINC000470956107 310731056 /nfs/dbraw/zinc/73/10/56/310731056.db2.gz AUDDBPQWBIYKFR-JXMROGBWSA-N 0 0 326.352 3.437 10 5 EGBERN COC(=O)c1cc(NCCc2ccccc2OC)cc(C)c1[N+](=O)[O-] ZINC000474773444 310799174 /nfs/dbraw/zinc/79/91/74/310799174.db2.gz GPPAYFROYVFKMP-UHFFFAOYSA-N 0 0 344.367 3.353 10 5 EGBERN CO[C@@]1(C)C[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000477345510 310843472 /nfs/dbraw/zinc/84/34/72/310843472.db2.gz AJMURJMFHLCHMF-LRDDRELGSA-N 0 0 340.807 3.490 10 5 EGBERN C[C@](O)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000481310490 310910865 /nfs/dbraw/zinc/91/08/65/310910865.db2.gz TZNJLGOHOPTFOV-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000481394658 310912805 /nfs/dbraw/zinc/91/28/05/310912805.db2.gz WPFHIUXNGWKULA-UHFFFAOYSA-N 0 0 341.367 3.293 10 5 EGBERN COC(=O)c1cc(NC(=O)NC[C@H](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486893485 311001349 /nfs/dbraw/zinc/00/13/49/311001349.db2.gz KTPJBGOOMSZICQ-JTQLQIEISA-N 0 0 337.376 3.103 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487125165 311011406 /nfs/dbraw/zinc/01/14/06/311011406.db2.gz XQYZUYRVPHIBQW-ZIAGYGMSSA-N 0 0 340.383 3.227 10 5 EGBERN O=C1C[C@@H](c2cccc(Nc3ccc4ncccc4c3[N+](=O)[O-])c2)CN1 ZINC000487140634 311012283 /nfs/dbraw/zinc/01/22/83/311012283.db2.gz FNWLTRBNWFZCMW-CYBMUJFWSA-N 0 0 348.362 3.490 10 5 EGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000487403797 311022187 /nfs/dbraw/zinc/02/21/87/311022187.db2.gz WRLWJVRPOQDUMX-VIFPVBQESA-N 0 0 342.380 3.278 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc2cc[nH]c21 ZINC000487434555 311023399 /nfs/dbraw/zinc/02/33/99/311023399.db2.gz CHUYIBTXVHGWPR-UHFFFAOYSA-N 0 0 345.305 3.213 10 5 EGBERN CC[C@@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000487907926 311042214 /nfs/dbraw/zinc/04/22/14/311042214.db2.gz KPPWRXAWRJKHIS-CYBMUJFWSA-N 0 0 340.339 3.459 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(-n2cccn2)cc1 ZINC000487918114 311042745 /nfs/dbraw/zinc/04/27/45/311042745.db2.gz OAMBFKYLRPDVFX-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN(c2ccccn2)CC1 ZINC000487934083 311043414 /nfs/dbraw/zinc/04/34/14/311043414.db2.gz WBAHNYIOSOYIRY-UHFFFAOYSA-N 0 0 349.394 3.041 10 5 EGBERN Cc1nc(C)c(CCNc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000488059232 311049592 /nfs/dbraw/zinc/04/95/92/311049592.db2.gz SDIZLSHJXKVHEO-UHFFFAOYSA-N 0 0 328.397 3.293 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000488083525 311050550 /nfs/dbraw/zinc/05/05/50/311050550.db2.gz FBUXKRHOJNQPRN-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1ccc(F)cc1C ZINC000488116278 311051811 /nfs/dbraw/zinc/05/18/11/311051811.db2.gz XMCAIZDWLOYTNZ-UHFFFAOYSA-N 0 0 345.374 3.421 10 5 EGBERN CCCc1nc(C)c(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000488737065 311077543 /nfs/dbraw/zinc/07/75/43/311077543.db2.gz RQIFVTDVIPANQB-UHFFFAOYSA-N 0 0 333.344 3.242 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cc(-c4ccccc4)on3)nc2c1 ZINC000489027160 311089931 /nfs/dbraw/zinc/08/99/31/311089931.db2.gz RHLNHJGAHZSFTK-UHFFFAOYSA-N 0 0 335.323 3.160 10 5 EGBERN CCCc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000489930533 311125751 /nfs/dbraw/zinc/12/57/51/311125751.db2.gz XCYYBNZTZGDMKO-NSHDSACASA-N 0 0 346.387 3.404 10 5 EGBERN CO[C@H](C)CN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000493079728 311324500 /nfs/dbraw/zinc/32/45/00/311324500.db2.gz MZAWBCODSRCXAR-ZIAGYGMSSA-N 0 0 337.420 3.419 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000498309331 311880541 /nfs/dbraw/zinc/88/05/41/311880541.db2.gz NDWMSQCBALUUHR-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCCN1CCCc2ccccc21 ZINC000503925734 311996788 /nfs/dbraw/zinc/99/67/88/311996788.db2.gz RUDADBBWKXPGMX-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1sc(C(=O)NCCCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504860429 312011242 /nfs/dbraw/zinc/01/12/42/312011242.db2.gz ZKMQVDODUGZDFQ-UHFFFAOYSA-N 0 0 334.397 3.472 10 5 EGBERN C[C@@H](NC(=O)N1CCCC[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507303912 312067795 /nfs/dbraw/zinc/06/77/95/312067795.db2.gz JVCCTFWAFVHVLD-ZWNOBZJWSA-N 0 0 327.331 3.485 10 5 EGBERN C[C@H](C(=O)Nc1cnc(CC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000514619907 312234630 /nfs/dbraw/zinc/23/46/30/312234630.db2.gz QPOCKSUFOVRUBW-NSHDSACASA-N 0 0 326.356 3.080 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@H]1C1CCC1 ZINC000514864034 312250477 /nfs/dbraw/zinc/25/04/77/312250477.db2.gz XWQRBJRYWCXRDB-AWEZNQCLSA-N 0 0 338.791 3.198 10 5 EGBERN C[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000514883018 312251733 /nfs/dbraw/zinc/25/17/33/312251733.db2.gz YAKIBILPTUOWAF-OAHLLOKOSA-N 0 0 326.396 3.475 10 5 EGBERN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515327107 312276623 /nfs/dbraw/zinc/27/66/23/312276623.db2.gz CURMYKDTPVWYNP-MAUKXSAKSA-N 0 0 329.400 3.417 10 5 EGBERN CCc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000516693203 312337671 /nfs/dbraw/zinc/33/76/71/312337671.db2.gz KLKYKAGKAWWNJE-HNNXBMFYSA-N 0 0 344.342 3.030 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525316982 312719236 /nfs/dbraw/zinc/71/92/36/312719236.db2.gz BDMPJTKAYHRBRK-AWEZNQCLSA-N 0 0 335.404 3.338 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000527370047 312861002 /nfs/dbraw/zinc/86/10/02/312861002.db2.gz ZWPJWCIXGOYDLS-NXEZZACHSA-N 0 0 326.780 3.242 10 5 EGBERN CC(C)(CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000530370061 313525452 /nfs/dbraw/zinc/52/54/52/313525452.db2.gz IMIWLBXHQVXYPY-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634721 313694006 /nfs/dbraw/zinc/69/40/06/313694006.db2.gz YTWCTKFBUCMSCY-OAHLLOKOSA-N 0 0 325.368 3.146 10 5 EGBERN CN(Cc1csc2ccccc12)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878653 313725056 /nfs/dbraw/zinc/72/50/56/313725056.db2.gz ZURMBXWYWFCBSH-UHFFFAOYSA-N 0 0 327.365 3.477 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccccn1 ZINC000531889186 313726604 /nfs/dbraw/zinc/72/66/04/313726604.db2.gz FCGWFVISKIIQIF-UHFFFAOYSA-N 0 0 334.335 3.232 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000532054481 313749291 /nfs/dbraw/zinc/74/92/91/313749291.db2.gz MQBGKNSAKJALQZ-CYBMUJFWSA-N 0 0 343.383 3.303 10 5 EGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000532391230 313793060 /nfs/dbraw/zinc/79/30/60/313793060.db2.gz ZTFLKFUTAOXKRH-UHFFFAOYSA-N 0 0 333.775 3.351 10 5 EGBERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397738 313794122 /nfs/dbraw/zinc/79/41/22/313794122.db2.gz IGQCAAWVVRQGGA-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000537577979 314190301 /nfs/dbraw/zinc/19/03/01/314190301.db2.gz CPSRQXBVGBVPOM-INIZCTEOSA-N 0 0 325.368 3.068 10 5 EGBERN Cc1ccc(F)c(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000538237992 314234101 /nfs/dbraw/zinc/23/41/01/314234101.db2.gz VKKADGYKCWUMJH-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CCc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1C ZINC000539792241 314338574 /nfs/dbraw/zinc/33/85/74/314338574.db2.gz YQXGDQMINIWJOW-UHFFFAOYSA-N 0 0 342.351 3.489 10 5 EGBERN COC(=O)c1cc(NCC[C@H]2CCO[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000541350724 314453529 /nfs/dbraw/zinc/45/35/29/314453529.db2.gz NVRBPJKNPXQEQH-OLZOCXBDSA-N 0 0 336.388 3.307 10 5 EGBERN COC(=O)c1cc(NCC[C@@H]2CCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000541350726 314453785 /nfs/dbraw/zinc/45/37/85/314453785.db2.gz NVRBPJKNPXQEQH-QWHCGFSZSA-N 0 0 336.388 3.307 10 5 EGBERN CC(C)(C)OCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542354450 314538528 /nfs/dbraw/zinc/53/85/28/314538528.db2.gz BGMVPSAFCFZIKJ-UHFFFAOYSA-N 0 0 346.836 3.272 10 5 EGBERN CCc1ccccc1NC(=O)CN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542864369 314589293 /nfs/dbraw/zinc/58/92/93/314589293.db2.gz KLRJDEQDQCAMON-UHFFFAOYSA-N 0 0 342.399 3.244 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000544658964 314709426 /nfs/dbraw/zinc/70/94/26/314709426.db2.gz YDYBTKAJIFYWGL-CVEARBPZSA-N 0 0 348.443 3.128 10 5 EGBERN C[C@@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1c(F)cccc1F ZINC000544962612 314726387 /nfs/dbraw/zinc/72/63/87/314726387.db2.gz CBTGCINESXISKX-MRVPVSSYSA-N 0 0 332.266 3.470 10 5 EGBERN CO[C@@H](c1noc(-c2cc([N+](=O)[O-])cn2C)n1)c1cccc(Cl)c1 ZINC000546474285 314829036 /nfs/dbraw/zinc/82/90/36/314829036.db2.gz XRLWYFQUVPSYKD-CYBMUJFWSA-N 0 0 348.746 3.373 10 5 EGBERN C[C@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(F)(F)F ZINC000546528161 314832036 /nfs/dbraw/zinc/83/20/36/314832036.db2.gz JXUDHTNCBDKECJ-SSDOTTSWSA-N 0 0 347.318 3.132 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC(OCc2ccccc2)C1 ZINC000547338586 314890020 /nfs/dbraw/zinc/89/00/20/314890020.db2.gz WSVIMUNFSBACBI-UHFFFAOYSA-N 0 0 340.379 3.381 10 5 EGBERN O=C(Nc1ccc(OC2CCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548937527 315064834 /nfs/dbraw/zinc/06/48/34/315064834.db2.gz MHYJBIOYVCXKDF-UHFFFAOYSA-N 0 0 330.344 3.282 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000552994311 315240553 /nfs/dbraw/zinc/24/05/53/315240553.db2.gz NZQBJVQCFXRPSF-AWEZNQCLSA-N 0 0 345.330 3.323 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000553244822 315252709 /nfs/dbraw/zinc/25/27/09/315252709.db2.gz AWMONXCNIGXJPR-JTQLQIEISA-N 0 0 346.305 3.469 10 5 EGBERN CC1(C)CC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000554698444 315343787 /nfs/dbraw/zinc/34/37/87/315343787.db2.gz WQCTZNGMLACHIB-CYBMUJFWSA-N 0 0 344.415 3.497 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000555263341 315376452 /nfs/dbraw/zinc/37/64/52/315376452.db2.gz JFCKIMQWHXCXMD-LNSITVRQSA-N 0 0 336.779 3.275 10 5 EGBERN CNc1ccc(C(=O)NC2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000556730443 315458584 /nfs/dbraw/zinc/45/85/84/315458584.db2.gz DJWLDHSKNQDUPV-UHFFFAOYSA-N 0 0 327.331 3.190 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3oc(CO)cc3c2)cc1[N+](=O)[O-] ZINC000557176829 315500547 /nfs/dbraw/zinc/50/05/47/315500547.db2.gz BYGZICUCRWHESB-UHFFFAOYSA-N 0 0 332.337 3.456 10 5 EGBERN CN(Cc1ccc(F)cc1F)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557476074 315513216 /nfs/dbraw/zinc/51/32/16/315513216.db2.gz FAKKVTRXUCZPMY-UHFFFAOYSA-N 0 0 346.293 3.158 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000135446313 454677177 /nfs/dbraw/zinc/67/71/77/454677177.db2.gz NVNMEYSNXDZEPL-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(c2nncn2C(C)C)CC1 ZINC000563425847 316019872 /nfs/dbraw/zinc/01/98/72/316019872.db2.gz JQOWQGBPWFPPTJ-UHFFFAOYSA-N 0 0 345.403 3.160 10 5 EGBERN C[C@@H](C(=O)N1CC2CC1(C(F)(F)F)C2)c1cccc([N+](=O)[O-])c1 ZINC000563794482 316069750 /nfs/dbraw/zinc/06/97/50/316069750.db2.gz HSIXOCWFSCTRJS-NAUIOFCNSA-N 0 0 328.290 3.252 10 5 EGBERN CC(C)(C)c1nnsc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000564000965 316102050 /nfs/dbraw/zinc/10/20/50/316102050.db2.gz USQZOZPKKJGKSW-UHFFFAOYSA-N 0 0 346.372 3.043 10 5 EGBERN COc1ccc(CC(=O)N(C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000568342755 316760630 /nfs/dbraw/zinc/76/06/30/316760630.db2.gz VCFLLYIMRHWJAE-UHFFFAOYSA-N 0 0 342.395 3.421 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC000571033333 317141820 /nfs/dbraw/zinc/14/18/20/317141820.db2.gz MCSLVJRWVJJYFX-OAHLLOKOSA-N 0 0 341.367 3.493 10 5 EGBERN CC(C)(C)OCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000571138813 317155511 /nfs/dbraw/zinc/15/55/11/317155511.db2.gz MEGOKYIOGHWDLT-HNNXBMFYSA-N 0 0 349.431 3.299 10 5 EGBERN CC(C)(C)CCc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000572562443 317356286 /nfs/dbraw/zinc/35/62/86/317356286.db2.gz NWCCYDBCGBQTMV-UHFFFAOYSA-N 0 0 333.344 3.395 10 5 EGBERN COc1ccccc1C(C)(C)c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000572824859 317396702 /nfs/dbraw/zinc/39/67/02/317396702.db2.gz LUOAKNZSSZEZSP-UHFFFAOYSA-N 0 0 340.339 3.374 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1O ZINC000574225765 317574660 /nfs/dbraw/zinc/57/46/60/317574660.db2.gz MZMRICMGCLRVCT-UHFFFAOYSA-N 0 0 339.351 3.063 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176084487 323326374 /nfs/dbraw/zinc/32/63/74/323326374.db2.gz KZVMWCMISFBTIN-HWKANZROSA-N 0 0 344.342 3.462 10 5 EGBERN Cc1c(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cccc1N(C)C ZINC000180300763 323434730 /nfs/dbraw/zinc/43/47/30/323434730.db2.gz NWYZXNZMBIOPHQ-UHFFFAOYSA-N 0 0 349.412 3.116 10 5 EGBERN COc1cc(Cc2noc([C@H]3CCCC[C@H]3OC)n2)ccc1[N+](=O)[O-] ZINC000349678056 324032615 /nfs/dbraw/zinc/03/26/15/324032615.db2.gz LWPOAGZMZXTEGT-GXTWGEPZSA-N 0 0 347.371 3.250 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000351016930 324154322 /nfs/dbraw/zinc/15/43/22/324154322.db2.gz IMXAMMAAEBGUMS-UHFFFAOYSA-N 0 0 332.320 3.017 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351223021 324199650 /nfs/dbraw/zinc/19/96/50/324199650.db2.gz MYGGIFBALRMNSW-OADPDTJPSA-N 0 0 329.356 3.389 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)c2c1NCCC2 ZINC000351254436 324211094 /nfs/dbraw/zinc/21/10/94/324211094.db2.gz FCOLJVPSLSCQLO-IUPBHXKESA-N 0 0 342.355 3.038 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000576936247 324710111 /nfs/dbraw/zinc/71/01/11/324710111.db2.gz REUZEFLCPRDLGA-LLVKDONJSA-N 0 0 332.326 3.045 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](COc2ccccc2)C1 ZINC000577909957 324886460 /nfs/dbraw/zinc/88/64/60/324886460.db2.gz NOHCPYWWDIRFOR-INIZCTEOSA-N 0 0 328.368 3.187 10 5 EGBERN Cc1nc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000578450488 324971024 /nfs/dbraw/zinc/97/10/24/324971024.db2.gz CBGNJFMEXCHMFM-OAHLLOKOSA-N 0 0 348.790 3.193 10 5 EGBERN CO[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)(C)C ZINC000580011479 325188059 /nfs/dbraw/zinc/18/80/59/325188059.db2.gz GQJHQDIAYQSZFH-LLVKDONJSA-N 0 0 348.321 3.405 10 5 EGBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000580188383 325215159 /nfs/dbraw/zinc/21/51/59/325215159.db2.gz KQIJGWAADGETAC-AWEZNQCLSA-N 0 0 344.459 3.179 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000580328145 325236017 /nfs/dbraw/zinc/23/60/17/325236017.db2.gz MMGXMVMBTFRMKJ-INIZCTEOSA-N 0 0 339.395 3.165 10 5 EGBERN O=c1[nH]c2ccc(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)cc2[nH]1 ZINC000580547142 325265633 /nfs/dbraw/zinc/26/56/33/325265633.db2.gz VNVDSMPEDYIPSA-UHFFFAOYSA-N 0 0 339.355 3.063 10 5 EGBERN CCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000580864044 325302516 /nfs/dbraw/zinc/30/25/16/325302516.db2.gz AMEDCBNYPFFPPL-GFCCVEGCSA-N 0 0 342.351 3.263 10 5 EGBERN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CCC1 ZINC000581825337 325391424 /nfs/dbraw/zinc/39/14/24/325391424.db2.gz QXORNTGENHBPRA-UHFFFAOYSA-N 0 0 336.363 3.104 10 5 EGBERN C[C@@H]1CC(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H](C)O1 ZINC000582208981 325422247 /nfs/dbraw/zinc/42/22/47/325422247.db2.gz WEQPKEAEFJJWDD-RKDXNWHRSA-N 0 0 346.305 3.299 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@H](c3cccs3)C2)c1 ZINC000157871696 455242457 /nfs/dbraw/zinc/24/24/57/455242457.db2.gz WXTHODLGDSTAHF-HNNXBMFYSA-N 0 0 334.397 3.109 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccccc1Cl ZINC000000245442 452545629 /nfs/dbraw/zinc/54/56/29/452545629.db2.gz ATJKTFHGQQJWCJ-INIZCTEOSA-N 0 0 345.742 3.487 10 5 EGBERN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccccc1F ZINC000000253503 452547541 /nfs/dbraw/zinc/54/75/41/452547541.db2.gz YTFJNAGPYKWTIB-UHFFFAOYSA-N 0 0 328.255 3.093 10 5 EGBERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000173448640 455285188 /nfs/dbraw/zinc/28/51/88/455285188.db2.gz YIKCQAGTKZSULB-ZDUSSCGKSA-N 0 0 330.344 3.079 10 5 EGBERN Nc1c(C(=O)NCC2(C(F)(F)F)CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600698311 460572682 /nfs/dbraw/zinc/57/26/82/460572682.db2.gz XPDQAUMGGKNKSD-UHFFFAOYSA-N 0 0 349.284 3.169 10 5 EGBERN Cc1ccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])n1 ZINC000005970035 452914434 /nfs/dbraw/zinc/91/44/34/452914434.db2.gz HWYSNADBMHCZHO-GFCCVEGCSA-N 0 0 326.352 3.437 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000007731317 453108843 /nfs/dbraw/zinc/10/88/43/453108843.db2.gz WICQZWRNFHSRHM-LBPRGKRZSA-N 0 0 331.347 3.365 10 5 EGBERN Cc1oc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000184058260 455350527 /nfs/dbraw/zinc/35/05/27/455350527.db2.gz XZMOBOYRVYTAKT-UHFFFAOYSA-N 0 0 325.324 3.283 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC1=CCCC1 ZINC000159121221 455354357 /nfs/dbraw/zinc/35/43/57/455354357.db2.gz PGJASZWYBJUNQE-UHFFFAOYSA-N 0 0 330.793 3.027 10 5 EGBERN CC(C)c1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000010638520 453297691 /nfs/dbraw/zinc/29/76/91/453297691.db2.gz YEPNGKXDUYLTGS-UHFFFAOYSA-N 0 0 349.368 3.198 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600770583 460596224 /nfs/dbraw/zinc/59/62/24/460596224.db2.gz AIJLZRLWDOWONH-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 ZINC000012901493 453422917 /nfs/dbraw/zinc/42/29/17/453422917.db2.gz QWSJXURXETYVCT-HNNXBMFYSA-N 0 0 329.356 3.349 10 5 EGBERN Cc1ccc(N(C)S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000015935213 453589737 /nfs/dbraw/zinc/58/97/37/453589737.db2.gz DVTMWKHQWZFQOZ-UHFFFAOYSA-N 0 0 345.380 3.210 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600808959 460611835 /nfs/dbraw/zinc/61/18/35/460611835.db2.gz MQAXABSNLOOEIK-RGDDUWESSA-N 0 0 334.420 3.003 10 5 EGBERN COc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000022333867 453690744 /nfs/dbraw/zinc/69/07/44/453690744.db2.gz YVBOHMDANHKLPN-UHFFFAOYSA-N 0 0 344.367 3.291 10 5 EGBERN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000025387083 453768968 /nfs/dbraw/zinc/76/89/68/453768968.db2.gz FCISUVVFJMPYKO-SECBINFHSA-N 0 0 348.742 3.468 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000025597101 453779221 /nfs/dbraw/zinc/77/92/21/453779221.db2.gz JIALZOJTFXIWOH-GFCCVEGCSA-N 0 0 331.347 3.332 10 5 EGBERN CC1(C)Cc2cccc(Oc3ncc([N+](=O)[O-])c(NC4CC4)n3)c2O1 ZINC000026691478 453803591 /nfs/dbraw/zinc/80/35/91/453803591.db2.gz PYHFSTNFBTUTTC-UHFFFAOYSA-N 0 0 342.355 3.465 10 5 EGBERN CCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000030177296 453834192 /nfs/dbraw/zinc/83/41/92/453834192.db2.gz SMZJQHKQRHOYSQ-UHFFFAOYSA-N 0 0 334.397 3.431 10 5 EGBERN CCOc1ccc(C(=O)N(C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000081297080 453857695 /nfs/dbraw/zinc/85/76/95/453857695.db2.gz VMRDEQMLKOCTRG-UHFFFAOYSA-N 0 0 334.397 3.370 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075108517 453861609 /nfs/dbraw/zinc/86/16/09/453861609.db2.gz UZGOSKSQJKNDPT-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN Cc1sc(C(=O)N(C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000032457937 453874165 /nfs/dbraw/zinc/87/41/65/453874165.db2.gz NTXYAUZLURWZKZ-UHFFFAOYSA-N 0 0 334.397 3.424 10 5 EGBERN CC1CCN(c2ccc(CNc3ccncc3[N+](=O)[O-])cn2)CC1 ZINC000066809281 453876033 /nfs/dbraw/zinc/87/60/33/453876033.db2.gz ANFZAUJAYNKBJP-UHFFFAOYSA-N 0 0 327.388 3.233 10 5 EGBERN COc1ccc([N+](=O)[O-])c(CSc2nncn2Cc2ccco2)c1 ZINC000081527839 453882833 /nfs/dbraw/zinc/88/28/33/453882833.db2.gz ZMKZJEGIGLZAPS-UHFFFAOYSA-N 0 0 346.368 3.129 10 5 EGBERN C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000032777405 453889825 /nfs/dbraw/zinc/88/98/25/453889825.db2.gz ZIRUVRSKFWCIHN-VIFPVBQESA-N 0 0 347.352 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067046409 453897241 /nfs/dbraw/zinc/89/72/41/453897241.db2.gz KDSMJZBHBJNFNE-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000054124116 453912390 /nfs/dbraw/zinc/91/23/90/453912390.db2.gz SQFLQONEPMEEFX-UHFFFAOYSA-N 0 0 325.368 3.398 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000067293911 453919261 /nfs/dbraw/zinc/91/92/61/453919261.db2.gz TYZQQIHLVQUGPD-CYBMUJFWSA-N 0 0 343.383 3.283 10 5 EGBERN CC[C@H](C)C(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000036009785 453925380 /nfs/dbraw/zinc/92/53/80/453925380.db2.gz MNTJRMDAXYRVNS-SUMWQHHRSA-N 0 0 327.384 3.374 10 5 EGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067512141 453937290 /nfs/dbraw/zinc/93/72/90/453937290.db2.gz VMJMDPFROCFNDX-NVXWUHKLSA-N 0 0 337.379 3.455 10 5 EGBERN COc1ccccc1[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645933 453940634 /nfs/dbraw/zinc/94/06/34/453940634.db2.gz XPHSIJZUNVQGPL-ZDUSSCGKSA-N 0 0 343.383 3.206 10 5 EGBERN C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000055467254 453987607 /nfs/dbraw/zinc/98/76/07/453987607.db2.gz HTDQQGJZUBSEDA-NSHDSACASA-N 0 0 346.387 3.085 10 5 EGBERN Cc1c(OCc2noc(Cc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000068051121 453992285 /nfs/dbraw/zinc/99/22/85/453992285.db2.gz VMVZUWUZAMOQQG-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN COc1ccccc1CN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CC1 ZINC000055676123 454005669 /nfs/dbraw/zinc/00/56/69/454005669.db2.gz RAQJXPOPVCTJBA-UHFFFAOYSA-N 0 0 341.367 3.112 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000085333028 454022901 /nfs/dbraw/zinc/02/29/01/454022901.db2.gz SROZNFLNTPUPLE-GFCCVEGCSA-N 0 0 339.417 3.481 10 5 EGBERN Cc1cccc(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000085458947 454029373 /nfs/dbraw/zinc/02/93/73/454029373.db2.gz IKTMGDUOHCKZMZ-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2ccc(F)cc2)CC1 ZINC000044404381 454099765 /nfs/dbraw/zinc/09/97/65/454099765.db2.gz XXUNVRQRGLFOKX-UHFFFAOYSA-N 0 0 326.327 3.355 10 5 EGBERN COc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000069653870 454129330 /nfs/dbraw/zinc/12/93/30/454129330.db2.gz KGKWGFWQGXGDDN-HUUCEWRRSA-N 0 0 326.352 3.023 10 5 EGBERN Cc1sc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000045198157 454145229 /nfs/dbraw/zinc/14/52/29/454145229.db2.gz UHYMJZNIXQIOJD-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCCC[C@H]1C(C)(C)C ZINC000069812131 454147326 /nfs/dbraw/zinc/14/73/26/454147326.db2.gz SDPGEIUIBXVQCA-AWEZNQCLSA-N 0 0 336.436 3.307 10 5 EGBERN COc1cc(CNc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])cc1O ZINC000089420841 454147591 /nfs/dbraw/zinc/14/75/91/454147591.db2.gz OUWCPSBOHJTHFI-UHFFFAOYSA-N 0 0 340.339 3.107 10 5 EGBERN Cc1cc(N2CCC[C@@H]2c2nncn2CC(C)C)ccc1[N+](=O)[O-] ZINC000078022018 454177068 /nfs/dbraw/zinc/17/70/68/454177068.db2.gz JRFVXWLVJSWELJ-MRXNPFEDSA-N 0 0 329.404 3.492 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ccc(O)c(F)c2)c([N+](=O)[O-])c1 ZINC000078020256 454177289 /nfs/dbraw/zinc/17/72/89/454177289.db2.gz RKJRVJZSLBABBD-QPJJXVBHSA-N 0 0 346.314 3.238 10 5 EGBERN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045797503 454183660 /nfs/dbraw/zinc/18/36/60/454183660.db2.gz ZVBSTLNCWIGEQX-ZDUSSCGKSA-N 0 0 348.424 3.338 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000078148663 454200846 /nfs/dbraw/zinc/20/08/46/454200846.db2.gz XHCIZMBKQVLRFF-CVEARBPZSA-N 0 0 338.363 3.296 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089835463 454212424 /nfs/dbraw/zinc/21/24/24/454212424.db2.gz SEYPOLPOTNYXPN-ROUUACIJSA-N 0 0 340.379 3.066 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078240011 454215212 /nfs/dbraw/zinc/21/52/12/454215212.db2.gz AHHWGORYTKVVNG-UHFFFAOYSA-N 0 0 340.382 3.455 10 5 EGBERN Cc1c(Br)c(N2CC[C@@H](C)[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC000612449943 460631709 /nfs/dbraw/zinc/63/17/09/460631709.db2.gz PRDKJSUIOSFPFM-APPZFPTMSA-N 0 0 332.173 3.245 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2cccc(Br)c2C)c1=O ZINC000090192559 454292697 /nfs/dbraw/zinc/29/26/97/454292697.db2.gz ZKAYGHYSXWAFGQ-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc2N(C)C1=O ZINC000072485636 454297216 /nfs/dbraw/zinc/29/72/16/454297216.db2.gz LGVVUPLUBNKJRO-NSHDSACASA-N 0 0 331.397 3.275 10 5 EGBERN CC[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090467358 454309708 /nfs/dbraw/zinc/30/97/08/454309708.db2.gz SBJIEYNMYGDJOO-WBVHZDCISA-N 0 0 340.379 3.413 10 5 EGBERN CC[C@H](NC(=O)NCCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090518202 454314879 /nfs/dbraw/zinc/31/48/79/454314879.db2.gz HBPVMYXPDSWXHO-INIZCTEOSA-N 0 0 335.404 3.162 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C(C)=O)s2)c1 ZINC000078795946 454319968 /nfs/dbraw/zinc/31/99/68/454319968.db2.gz HQCLCWNACNBBQW-UHFFFAOYSA-N 0 0 337.382 3.228 10 5 EGBERN CCCCN([C@@H](C)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000079030770 454357979 /nfs/dbraw/zinc/35/79/79/454357979.db2.gz PQXKDMZRAICJQD-LBPRGKRZSA-N 0 0 344.433 3.193 10 5 EGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162491 454419370 /nfs/dbraw/zinc/41/93/70/454419370.db2.gz PMPUUNSDHHRPPM-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1nc(CN2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000073368554 454429763 /nfs/dbraw/zinc/42/97/63/454429763.db2.gz SYCNZYXYEFJPQV-ZDUSSCGKSA-N 0 0 346.456 3.239 10 5 EGBERN COc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377263 454552125 /nfs/dbraw/zinc/55/21/25/454552125.db2.gz NZSKXVPNHYUTKC-LBPRGKRZSA-N 0 0 326.352 3.124 10 5 EGBERN COC(=O)c1cc(NC[C@@H](C)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000092671811 454607039 /nfs/dbraw/zinc/60/70/39/454607039.db2.gz RBXKUMXHFDSBIA-GFCCVEGCSA-N 0 0 329.356 3.294 10 5 EGBERN CC(C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000065812222 454627138 /nfs/dbraw/zinc/62/71/38/454627138.db2.gz SPWNMBXNEWGNKD-CYBMUJFWSA-N 0 0 336.417 3.147 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065815191 454627714 /nfs/dbraw/zinc/62/77/14/454627714.db2.gz BZOKAAVUPJCBKV-PJPHBNEVSA-N 0 0 344.411 3.401 10 5 EGBERN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC000135226257 454650566 /nfs/dbraw/zinc/65/05/66/454650566.db2.gz FXGJJVHRBDRKKO-UHFFFAOYSA-N 0 0 331.416 3.008 10 5 EGBERN C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1O ZINC000092977641 454664918 /nfs/dbraw/zinc/66/49/18/454664918.db2.gz PXKVJOUHVLHRKY-ACJLOTCBSA-N 0 0 340.379 3.033 10 5 EGBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000135355847 454667932 /nfs/dbraw/zinc/66/79/32/454667932.db2.gz LCKNFQJCDOIEKD-QGZVFWFLSA-N 0 0 344.342 3.307 10 5 EGBERN O=C(Nc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1)C1CC1 ZINC000052390443 454670392 /nfs/dbraw/zinc/67/03/92/454670392.db2.gz JMAJAHXCNYISRN-UHFFFAOYSA-N 0 0 344.352 3.445 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)s1 ZINC000066327529 454684656 /nfs/dbraw/zinc/68/46/56/454684656.db2.gz WGOANKAMNOSBSM-CQSZACIVSA-N 0 0 338.410 3.086 10 5 EGBERN CC(C)c1nc2c(n1C)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000106374017 454692818 /nfs/dbraw/zinc/69/28/18/454692818.db2.gz SIUUKLBDTRBRGZ-UHFFFAOYSA-N 0 0 332.379 3.149 10 5 EGBERN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000123997195 454692967 /nfs/dbraw/zinc/69/29/67/454692967.db2.gz UUDCNOBKDWYEHJ-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1ccnc(-n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000135711825 454700139 /nfs/dbraw/zinc/70/01/39/454700139.db2.gz QHNGKCOXMHPZOU-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152758428 454721516 /nfs/dbraw/zinc/72/15/16/454721516.db2.gz BODZUCVCLDXCMD-HNNXBMFYSA-N 0 0 340.445 3.325 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000161861265 454729576 /nfs/dbraw/zinc/72/95/76/454729576.db2.gz HNSNUCXIRICSNC-CYBMUJFWSA-N 0 0 336.344 3.009 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000176709703 454774037 /nfs/dbraw/zinc/77/40/37/454774037.db2.gz SICOUFGRIAONJK-HUUCEWRRSA-N 0 0 349.412 3.140 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc21 ZINC000162646193 454790014 /nfs/dbraw/zinc/79/00/14/454790014.db2.gz NUOQLDPZENYMOZ-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN CCCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000108235926 454790347 /nfs/dbraw/zinc/79/03/47/454790347.db2.gz XVKDWWYMLVWKSO-GFCCVEGCSA-N 0 0 326.418 3.386 10 5 EGBERN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402936 454790521 /nfs/dbraw/zinc/79/05/21/454790521.db2.gz YJSDRESHKHJITR-ZBFHGGJFSA-N 0 0 345.443 3.133 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000162663851 454792156 /nfs/dbraw/zinc/79/21/56/454792156.db2.gz WXTIPHVRKKNNSQ-CXAGYDPISA-N 0 0 333.388 3.062 10 5 EGBERN Cc1cnc(CCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000163037850 454818291 /nfs/dbraw/zinc/81/82/91/454818291.db2.gz UETORAUHFKVJFZ-UHFFFAOYSA-N 0 0 334.401 3.375 10 5 EGBERN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000141310108 454828312 /nfs/dbraw/zinc/82/83/12/454828312.db2.gz YMPOHAZCFHDTJM-MRVPVSSYSA-N 0 0 332.341 3.206 10 5 EGBERN CC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125634212 454836167 /nfs/dbraw/zinc/83/61/67/454836167.db2.gz GCRKHTUZHWTUFH-OAHLLOKOSA-N 0 0 326.418 3.015 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)c1ccccc1Cl ZINC000153823042 454837477 /nfs/dbraw/zinc/83/74/77/454837477.db2.gz IQGAWJHSQYMLCA-GFCCVEGCSA-N 0 0 328.155 3.442 10 5 EGBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc4c(c3)OCCO4)c2)cc1 ZINC000112544444 454889905 /nfs/dbraw/zinc/88/99/05/454889905.db2.gz CMNJONHAUVHZGO-UHFFFAOYSA-N 0 0 337.335 3.278 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)o1 ZINC000126654625 454908556 /nfs/dbraw/zinc/90/85/56/454908556.db2.gz IQACKKUISMZOSO-PBWFPOADSA-N 0 0 328.368 3.343 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000154717753 454923231 /nfs/dbraw/zinc/92/32/31/454923231.db2.gz TVVHPTYQYVSOCM-HZPDHXFCSA-N 0 0 345.399 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000154770184 454927739 /nfs/dbraw/zinc/92/77/39/454927739.db2.gz DCBHXPBYMBCSSP-INIZCTEOSA-N 0 0 344.367 3.318 10 5 EGBERN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185057096 455493262 /nfs/dbraw/zinc/49/32/62/455493262.db2.gz QEHTYPRAHBKLCY-LBPRGKRZSA-N 0 0 334.401 3.039 10 5 EGBERN Cc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170847011 454986907 /nfs/dbraw/zinc/98/69/07/454986907.db2.gz ZLKDZIDEDCWCDU-UHFFFAOYSA-N 0 0 327.384 3.358 10 5 EGBERN CN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000115012365 454991237 /nfs/dbraw/zinc/99/12/37/454991237.db2.gz BVJLAJFFECYISL-UHFFFAOYSA-N 0 0 327.315 3.421 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC1CC1 ZINC000127764064 454995669 /nfs/dbraw/zinc/99/56/69/454995669.db2.gz OPOSAEIONWRQCS-SNVBAGLBSA-N 0 0 326.780 3.322 10 5 EGBERN CCN(C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115656849 455024396 /nfs/dbraw/zinc/02/43/96/455024396.db2.gz OMUSNMJEHMKJHV-CYBMUJFWSA-N 0 0 328.372 3.283 10 5 EGBERN CO[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000171187742 455043421 /nfs/dbraw/zinc/04/34/21/455043421.db2.gz FSYBYYRUEBUICN-KRWDZBQOSA-N 0 0 339.351 3.194 10 5 EGBERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000128382381 455050756 /nfs/dbraw/zinc/05/07/56/455050756.db2.gz UYVXUKIAKCEAOB-AWEZNQCLSA-N 0 0 338.285 3.498 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1csc(N(C)C2CC2)n1 ZINC000155858513 455053615 /nfs/dbraw/zinc/05/36/15/455053615.db2.gz NMWQYNSDCNYMRK-UHFFFAOYSA-N 0 0 335.385 3.238 10 5 EGBERN COc1ccc([C@@H](C)CCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000152007392 455060781 /nfs/dbraw/zinc/06/07/81/455060781.db2.gz IHVZKRRSZVPBQR-LBPRGKRZSA-N 0 0 343.383 3.230 10 5 EGBERN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000155945068 455064668 /nfs/dbraw/zinc/06/46/68/455064668.db2.gz GAJCQYNLHXKPOK-UHFFFAOYSA-N 0 0 343.170 3.151 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152070812 455068699 /nfs/dbraw/zinc/06/86/99/455068699.db2.gz VDCQCGRKYBKWHJ-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN CCOc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000171557460 455077162 /nfs/dbraw/zinc/07/71/62/455077162.db2.gz IECIZIXTQCNOQJ-UHFFFAOYSA-N 0 0 347.346 3.132 10 5 EGBERN Cc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000129928045 455133945 /nfs/dbraw/zinc/13/39/45/455133945.db2.gz HLVHTIAQIJQLOU-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(Cl)cn3)cc2N1 ZINC000180177971 455144830 /nfs/dbraw/zinc/14/48/30/455144830.db2.gz VOFXSTWCHGTBMB-UHFFFAOYSA-N 0 0 332.747 3.140 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156750910 455148372 /nfs/dbraw/zinc/14/83/72/455148372.db2.gz QACAJPIKWLHIMG-CYBMUJFWSA-N 0 0 338.379 3.288 10 5 EGBERN O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccn3)c2)c(Cl)c1 ZINC000172409493 455151967 /nfs/dbraw/zinc/15/19/67/455151967.db2.gz OIVULJGZIVFNDZ-UHFFFAOYSA-N 0 0 330.735 3.027 10 5 EGBERN CSc1ccc(C(=O)NCc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000612572524 460665441 /nfs/dbraw/zinc/66/54/41/460665441.db2.gz NUSRHOZZWQFLEG-UHFFFAOYSA-N 0 0 326.761 3.493 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172699100 455174868 /nfs/dbraw/zinc/17/48/68/455174868.db2.gz OYDHUODWYYYXFW-LBPRGKRZSA-N 0 0 344.367 3.032 10 5 EGBERN Cc1sc(C(=O)N[C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172970801 455215151 /nfs/dbraw/zinc/21/51/51/455215151.db2.gz BNZOTCOQEJFKSH-LLVKDONJSA-N 0 0 334.397 3.300 10 5 EGBERN CC(=O)c1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1Cl ZINC000181025522 455277694 /nfs/dbraw/zinc/27/76/94/455277694.db2.gz YCCQGSKJEHFTLL-UHFFFAOYSA-N 0 0 347.758 3.162 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000173938800 455342640 /nfs/dbraw/zinc/34/26/40/455342640.db2.gz WZPDHUYMEXGAJR-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1C ZINC000190695860 455369262 /nfs/dbraw/zinc/36/92/62/455369262.db2.gz MVAIADIKPCLXPP-CQSZACIVSA-N 0 0 342.351 3.165 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832368 455389884 /nfs/dbraw/zinc/38/98/84/455389884.db2.gz DJINEJASYSVGIH-CYBMUJFWSA-N 0 0 348.424 3.191 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000174719959 455412829 /nfs/dbraw/zinc/41/28/29/455412829.db2.gz RJNBBCSZAGCYFR-UHFFFAOYSA-N 0 0 329.331 3.139 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc(=O)n(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000175187725 455424265 /nfs/dbraw/zinc/42/42/65/455424265.db2.gz RMKNHPQAMRJCTJ-OAHLLOKOSA-N 0 0 344.371 3.049 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000175190075 455424609 /nfs/dbraw/zinc/42/46/09/455424609.db2.gz BZQMGIUIBRMUPO-ZIAGYGMSSA-N 0 0 331.416 3.456 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243845 455470753 /nfs/dbraw/zinc/47/07/53/455470753.db2.gz JKLPWDDEDOWUNL-HNNXBMFYSA-N 0 0 333.775 3.297 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000182317382 455487183 /nfs/dbraw/zinc/48/71/83/455487183.db2.gz DJWHJHXCUPDONN-QWRGUYRKSA-N 0 0 340.326 3.458 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175729516 455488427 /nfs/dbraw/zinc/48/84/27/455488427.db2.gz CECMGLYBGNUXLS-VIFPVBQESA-N 0 0 342.779 3.050 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1 ZINC000191486591 455489843 /nfs/dbraw/zinc/48/98/43/455489843.db2.gz RMVIGHQBCUEWLJ-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000246460419 455494220 /nfs/dbraw/zinc/49/42/20/455494220.db2.gz NBSWRGRVAJEZPX-FMKPAKJESA-N 0 0 348.399 3.142 10 5 EGBERN CCCn1ccc2cc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])ccc21 ZINC000191584653 455500127 /nfs/dbraw/zinc/50/01/27/455500127.db2.gz SHKDSYVLQWNONF-UHFFFAOYSA-N 0 0 341.371 3.428 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3)CCCC2)n1 ZINC000191616235 455503809 /nfs/dbraw/zinc/50/38/09/455503809.db2.gz HJWLKTHKCDZERK-UHFFFAOYSA-N 0 0 328.372 3.011 10 5 EGBERN CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 ZINC000185170019 455515005 /nfs/dbraw/zinc/51/50/05/455515005.db2.gz BMJBEXQVCPHLTP-UHFFFAOYSA-N 0 0 328.372 3.431 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2NC(C)C)n1 ZINC000191823902 455523024 /nfs/dbraw/zinc/52/30/24/455523024.db2.gz NIKSGJRNTVSOFG-UHFFFAOYSA-N 0 0 335.339 3.023 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185273568 455533038 /nfs/dbraw/zinc/53/30/38/455533038.db2.gz NQZCLEDQUBWIQD-LBPRGKRZSA-N 0 0 348.378 3.006 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000161341738 455561482 /nfs/dbraw/zinc/56/14/82/455561482.db2.gz LYEPUMSRCRUDCZ-CQSZACIVSA-N 0 0 348.399 3.215 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000268210798 455620464 /nfs/dbraw/zinc/62/04/64/455620464.db2.gz KFLWZNKLSNTVNC-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1cccc([C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000271399438 455623214 /nfs/dbraw/zinc/62/32/14/455623214.db2.gz MIFIOGNTIOSOAD-HNNXBMFYSA-N 0 0 330.388 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000292332754 455632308 /nfs/dbraw/zinc/63/23/08/455632308.db2.gz JWDAWMYLCMIXTO-LBPRGKRZSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCCO1 ZINC000277769599 455661011 /nfs/dbraw/zinc/66/10/11/455661011.db2.gz SGXAXAANHRTKBG-CYBMUJFWSA-N 0 0 336.391 3.345 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248669974 455725735 /nfs/dbraw/zinc/72/57/35/455725735.db2.gz RXJQFFQEPAJAFH-IAQYHMDHSA-N 0 0 348.378 3.225 10 5 EGBERN CCc1c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000271749742 455745051 /nfs/dbraw/zinc/74/50/51/455745051.db2.gz YHAJBPLBGLDONN-SNVBAGLBSA-N 0 0 343.383 3.487 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193244734 455749426 /nfs/dbraw/zinc/74/94/26/455749426.db2.gz OLPLXROUTBHDHV-JTQLQIEISA-N 0 0 335.310 3.410 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(F)c1 ZINC000249474686 455758180 /nfs/dbraw/zinc/75/81/80/455758180.db2.gz TVPHNKLMLWHMGF-JQWIXIFHSA-N 0 0 340.351 3.147 10 5 EGBERN COC[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000278269862 455802225 /nfs/dbraw/zinc/80/22/25/455802225.db2.gz AOVQJODXDXJYKW-QGZVFWFLSA-N 0 0 336.391 3.248 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000272135082 455855319 /nfs/dbraw/zinc/85/53/19/455855319.db2.gz SWYYUBASVVOCST-GXTWGEPZSA-N 0 0 340.807 3.117 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC=C(c2ccnn2C)CC1 ZINC000285642091 455886855 /nfs/dbraw/zinc/88/68/55/455886855.db2.gz OLZICVXADQCMKY-UHFFFAOYSA-N 0 0 342.399 3.016 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000194836787 455889027 /nfs/dbraw/zinc/88/90/27/455889027.db2.gz JIYCNDRHACGFCZ-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000296257772 455892713 /nfs/dbraw/zinc/89/27/13/455892713.db2.gz YEGRTXIWRVEGIW-JTQLQIEISA-N 0 0 334.319 3.237 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187439718 455909801 /nfs/dbraw/zinc/90/98/01/455909801.db2.gz YODYEUFIOVLNFU-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN CC1(C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280366707 455955889 /nfs/dbraw/zinc/95/58/89/455955889.db2.gz UVVIWZQTGSIPKY-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000286108376 455979369 /nfs/dbraw/zinc/97/93/69/455979369.db2.gz BBTOEAGWRBRLBH-ZRDIBKRKSA-N 0 0 326.356 3.170 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(NC3CCN(c4ccccn4)CC3)c2c1 ZINC000601104876 460712292 /nfs/dbraw/zinc/71/22/92/460712292.db2.gz KCYIVMFFXAREIB-UHFFFAOYSA-N 0 0 349.394 3.041 10 5 EGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272806199 456074068 /nfs/dbraw/zinc/07/40/68/456074068.db2.gz IMXIPXQSKHGMLU-SMDDNHRTSA-N 0 0 339.417 3.399 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2cccc(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000301295580 456083576 /nfs/dbraw/zinc/08/35/76/456083576.db2.gz XJJORGPLTPCUQY-UHFFFAOYSA-N 0 0 330.735 3.040 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000297008295 456090172 /nfs/dbraw/zinc/09/01/72/456090172.db2.gz SCMBGWRNAFVSLR-PWSUYJOCSA-N 0 0 330.306 3.327 10 5 EGBERN CC[C@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000188636446 456101097 /nfs/dbraw/zinc/10/10/97/456101097.db2.gz RLZCOYWBCRDSGE-CABCVRRESA-N 0 0 335.404 3.303 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000301386841 456104377 /nfs/dbraw/zinc/10/43/77/456104377.db2.gz WIPWCMPAFRNQQN-CQSZACIVSA-N 0 0 341.411 3.330 10 5 EGBERN O=C(c1ccccc1)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601101771 460710695 /nfs/dbraw/zinc/71/06/95/460710695.db2.gz SVWFQITVFFOKDM-UHFFFAOYSA-N 0 0 329.331 3.228 10 5 EGBERN CCC[C@@H]1C[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301418518 456111535 /nfs/dbraw/zinc/11/15/35/456111535.db2.gz DABXSLCRFCMRMZ-LDYMZIIASA-N 0 0 334.344 3.192 10 5 EGBERN CC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271072455 456118291 /nfs/dbraw/zinc/11/82/91/456118291.db2.gz YQVZZRSMUDWWII-QZTJIDSGSA-N 0 0 342.395 3.156 10 5 EGBERN COc1cc(N[C@@H]2COc3c(cccc3OC)C2)c([N+](=O)[O-])cc1F ZINC000301609011 456160865 /nfs/dbraw/zinc/16/08/65/456160865.db2.gz AQKVNLQKPKUZFK-NSHDSACASA-N 0 0 348.330 3.167 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301611980 456161770 /nfs/dbraw/zinc/16/17/70/456161770.db2.gz FFZSCNVXZRAIJK-LLVKDONJSA-N 0 0 333.779 3.037 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301611981 456162204 /nfs/dbraw/zinc/16/22/04/456162204.db2.gz FFZSCNVXZRAIJK-NSHDSACASA-N 0 0 333.779 3.037 10 5 EGBERN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000601119013 460717148 /nfs/dbraw/zinc/71/71/48/460717148.db2.gz KGHYCTWGRGCKIV-MEBBXXQBSA-N 0 0 335.310 3.234 10 5 EGBERN CC(C)CC[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301653603 456175697 /nfs/dbraw/zinc/17/56/97/456175697.db2.gz KOUYJSPTMHEXAH-AWEZNQCLSA-N 0 0 344.415 3.398 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000271218845 456179047 /nfs/dbraw/zinc/17/90/47/456179047.db2.gz MKVFWCNGDTZKQO-UHFFFAOYSA-N 0 0 331.759 3.083 10 5 EGBERN Cc1nc(C)c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601121320 460718295 /nfs/dbraw/zinc/71/82/95/460718295.db2.gz OMYOIEZVFXAPAL-UHFFFAOYSA-N 0 0 335.311 3.033 10 5 EGBERN Cc1nn(C)c(NC[C@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000301693783 456190438 /nfs/dbraw/zinc/19/04/38/456190438.db2.gz ADJCKPCMMGKJJU-VIFPVBQESA-N 0 0 331.401 3.462 10 5 EGBERN Cc1ccc2c(c1)[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CO2 ZINC000601129726 460722495 /nfs/dbraw/zinc/72/24/95/460722495.db2.gz AASWEMMOOSFWRX-SECBINFHSA-N 0 0 342.277 3.201 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCOC2(CCCC2)C1 ZINC000601132187 460723388 /nfs/dbraw/zinc/72/33/88/460723388.db2.gz XMSWHLGDVDMNTE-VIFPVBQESA-N 0 0 348.325 3.251 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000273207661 456214388 /nfs/dbraw/zinc/21/43/88/456214388.db2.gz AYMSEDXWVHDWQM-YGDNYVJYSA-N 0 0 332.400 3.318 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2cccc(N(C)C)c2)c1 ZINC000301794738 456216690 /nfs/dbraw/zinc/21/66/90/456216690.db2.gz YEOUPSUZWHXIFB-UHFFFAOYSA-N 0 0 333.363 3.445 10 5 EGBERN CCO[C@H](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)C ZINC000601124102 460719829 /nfs/dbraw/zinc/71/98/29/460719829.db2.gz MQHWQWNPTQXHSD-SECBINFHSA-N 0 0 338.330 3.210 10 5 EGBERN COC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc(C)o1 ZINC000601125223 460720341 /nfs/dbraw/zinc/72/03/41/460720341.db2.gz YGIBIMHEZUPQPP-QMMMGPOBSA-N 0 0 348.281 3.048 10 5 EGBERN C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1=O ZINC000281509670 456252278 /nfs/dbraw/zinc/25/22/78/456252278.db2.gz HSBXKMUGPFMRSO-LBPRGKRZSA-N 0 0 334.375 3.145 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1NCCc1nc(C(F)(F)F)cs1 ZINC000601125886 460721622 /nfs/dbraw/zinc/72/16/22/460721622.db2.gz WOHISSCBLYTTOZ-UHFFFAOYSA-N 0 0 336.270 3.259 10 5 EGBERN Cc1cccc2c(CCNc3ccc4ncc([N+](=O)[O-])n4n3)c[nH]c21 ZINC000301966058 456260821 /nfs/dbraw/zinc/26/08/21/456260821.db2.gz KLSKRPAMZZLZOD-UHFFFAOYSA-N 0 0 336.355 3.082 10 5 EGBERN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[C@@H]1c1ccccc1 ZINC000301963432 456260957 /nfs/dbraw/zinc/26/09/57/456260957.db2.gz JBJINTSQSOXQTI-ZFWWWQNUSA-N 0 0 337.383 3.268 10 5 EGBERN Cc1ccccc1C(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301993463 456266481 /nfs/dbraw/zinc/26/64/81/456266481.db2.gz NREIUDORMDDETM-UHFFFAOYSA-N 0 0 325.372 3.336 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC3CCCC3)CC2)c1 ZINC000302062474 456277862 /nfs/dbraw/zinc/27/78/62/456277862.db2.gz BXCZPMVHQWHACB-UHFFFAOYSA-N 0 0 348.399 3.309 10 5 EGBERN Cc1c(C(=O)NC(C)(C)C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000297722534 456280109 /nfs/dbraw/zinc/28/01/09/456280109.db2.gz GZMXXQXASHUNAZ-UHFFFAOYSA-N 0 0 349.265 3.191 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000290321498 456291119 /nfs/dbraw/zinc/29/11/19/456291119.db2.gz ILTBFDRKKBMITM-QGZVFWFLSA-N 0 0 346.408 3.183 10 5 EGBERN COc1ccc(OC)c([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352779012 456297855 /nfs/dbraw/zinc/29/78/55/456297855.db2.gz MZANJOSLLXIVTE-LBPRGKRZSA-N 0 0 346.383 3.471 10 5 EGBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136933 460726261 /nfs/dbraw/zinc/72/62/61/460726261.db2.gz NFBAAQFQLNXFRV-LBPRGKRZSA-N 0 0 348.353 3.151 10 5 EGBERN CSc1cc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)ccn1 ZINC000601136706 460726290 /nfs/dbraw/zinc/72/62/90/460726290.db2.gz JXCJVPUTCIEEEV-UHFFFAOYSA-N 0 0 347.322 3.076 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342912288 456308738 /nfs/dbraw/zinc/30/87/38/456308738.db2.gz BRXQBLGGBIASLN-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[S@@]1=O ZINC000302208327 456318002 /nfs/dbraw/zinc/31/80/02/456318002.db2.gz AZZQHQFJSTWDOC-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccsc2)cc1OC(F)F ZINC000302247011 456327465 /nfs/dbraw/zinc/32/74/65/456327465.db2.gz LAEUSCQZJLIHEI-SNVBAGLBSA-N 0 0 330.312 3.403 10 5 EGBERN CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)O1 ZINC000302477796 456346512 /nfs/dbraw/zinc/34/65/12/456346512.db2.gz XAQBKQHFJAFIIM-CQSZACIVSA-N 0 0 347.415 3.200 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000343005964 456352219 /nfs/dbraw/zinc/35/22/19/456352219.db2.gz KQJVYJDICFPRST-UHFFFAOYSA-N 0 0 345.309 3.125 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000298098160 456364542 /nfs/dbraw/zinc/36/45/42/456364542.db2.gz LPLSYTPVUMRQKJ-SECBINFHSA-N 0 0 341.289 3.491 10 5 EGBERN COC(=O)c1cnc(N[C@H]2C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000302768839 456394805 /nfs/dbraw/zinc/39/48/05/456394805.db2.gz MHXNMXDPESDUSS-STQMWFEESA-N 0 0 347.758 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000302788031 456401404 /nfs/dbraw/zinc/40/14/04/456401404.db2.gz BSHBYYXQHWFWFT-GOSISDBHSA-N 0 0 345.374 3.219 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1cc(F)cc2c1OCOC2 ZINC000302817526 456408335 /nfs/dbraw/zinc/40/83/35/456408335.db2.gz MOPUDFJWMHSOLM-UHFFFAOYSA-N 0 0 336.294 3.394 10 5 EGBERN O=C(NCCNc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000302821970 456410081 /nfs/dbraw/zinc/41/00/81/456410081.db2.gz RUGMDNQAOQCBSF-UHFFFAOYSA-N 0 0 337.738 3.229 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000347878364 456422844 /nfs/dbraw/zinc/42/28/44/456422844.db2.gz PVTCKUAGMVABAL-PSASIEDQSA-N 0 0 332.278 3.016 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000340388836 456433727 /nfs/dbraw/zinc/43/37/27/456433727.db2.gz FEBKRYDNJNKFQB-SFHVURJKSA-N 0 0 340.383 3.059 10 5 EGBERN CC(C)(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000340470919 456479082 /nfs/dbraw/zinc/47/90/82/456479082.db2.gz SFASEAUAPYEIMH-GFCCVEGCSA-N 0 0 334.420 3.075 10 5 EGBERN COc1nn(C)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353207796 456561152 /nfs/dbraw/zinc/56/11/52/456561152.db2.gz OUWHCDCULOKIBJ-UHFFFAOYSA-N 0 0 345.384 3.073 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000291214590 456567342 /nfs/dbraw/zinc/56/73/42/456567342.db2.gz MHNJIYZKHWRLEF-UHFFFAOYSA-N 0 0 334.397 3.308 10 5 EGBERN Cc1cnc(COC(=O)Cc2ccc(Cl)nc2C)c(C)c1[N+](=O)[O-] ZINC000277088244 456676565 /nfs/dbraw/zinc/67/65/65/456676565.db2.gz GEZBXUVGDKBBTC-UHFFFAOYSA-N 0 0 349.774 3.249 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCc1ccccc1)C(=O)[O-] ZINC000277114518 456685901 /nfs/dbraw/zinc/68/59/01/456685901.db2.gz ANBJWZCJTOMVRD-QGZVFWFLSA-N 0 0 328.368 3.079 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291662476 456712590 /nfs/dbraw/zinc/71/25/90/456712590.db2.gz OYJGBJCTBOSLIG-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN CSCCCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353527313 456736670 /nfs/dbraw/zinc/73/66/70/456736670.db2.gz KSNAFCYBXUKELT-HNNXBMFYSA-N 0 0 334.445 3.151 10 5 EGBERN Cc1c2ccccc2oc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301098324 456796840 /nfs/dbraw/zinc/79/68/40/456796840.db2.gz PHKALMFXXKDPQO-SNVBAGLBSA-N 0 0 340.339 3.316 10 5 EGBERN C[C@@H](CCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301130497 456804125 /nfs/dbraw/zinc/80/41/25/456804125.db2.gz UEJXOSPTRPVOHF-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)[C@H](C)O1 ZINC000353718066 456870758 /nfs/dbraw/zinc/87/07/58/456870758.db2.gz HQPVZAXVTMHGNZ-BBBLOLIVSA-N 0 0 346.305 3.252 10 5 EGBERN Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1C ZINC000341725730 456917019 /nfs/dbraw/zinc/91/70/19/456917019.db2.gz KNJOXOHIRPYRBC-UHFFFAOYSA-N 0 0 338.161 3.257 10 5 EGBERN CC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000341732334 456919522 /nfs/dbraw/zinc/91/95/22/456919522.db2.gz WLCJVVWCXXSQRA-UHFFFAOYSA-N 0 0 347.415 3.089 10 5 EGBERN COCCNC(=O)c1cccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000353845000 456933153 /nfs/dbraw/zinc/93/31/53/456933153.db2.gz LSLTXNTVMLZYNU-CYBMUJFWSA-N 0 0 343.383 3.144 10 5 EGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C(F)F)CC1 ZINC000341771393 456936735 /nfs/dbraw/zinc/93/67/35/456936735.db2.gz DBVUYUQFRIBBIC-UHFFFAOYSA-N 0 0 349.131 3.193 10 5 EGBERN CC(=O)c1csc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000358873022 457017034 /nfs/dbraw/zinc/01/70/34/457017034.db2.gz RJAXEHHLYAQVME-UHFFFAOYSA-N 0 0 339.760 3.468 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358879754 457020569 /nfs/dbraw/zinc/02/05/69/457020569.db2.gz CQGFPJJJOLQRSX-OLZOCXBDSA-N 0 0 348.305 3.482 10 5 EGBERN Cc1cn2cc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc2n1 ZINC000339269366 457030478 /nfs/dbraw/zinc/03/04/78/457030478.db2.gz FOHWDBLNAVMVQZ-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H](C)c3c(F)cccc3F)no2)n1 ZINC000346576742 457053912 /nfs/dbraw/zinc/05/39/12/457053912.db2.gz BWBRFDGTCNARFA-QMMMGPOBSA-N 0 0 349.297 3.291 10 5 EGBERN CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330532082 457054710 /nfs/dbraw/zinc/05/47/10/457054710.db2.gz MWCVTOYJPMBXFC-GFCCVEGCSA-N 0 0 347.415 3.089 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000349838825 457072582 /nfs/dbraw/zinc/07/25/82/457072582.db2.gz YNFHBBLMUTZPIJ-GFCCVEGCSA-N 0 0 327.388 3.159 10 5 EGBERN CC(C)[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330781837 457084716 /nfs/dbraw/zinc/08/47/16/457084716.db2.gz GIBYUYQKZDEROX-LLVKDONJSA-N 0 0 328.315 3.457 10 5 EGBERN Cc1nc2[nH]ccc2c(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000349916315 457106529 /nfs/dbraw/zinc/10/65/29/457106529.db2.gz ODONJFWGMGLEJV-UHFFFAOYSA-N 0 0 331.763 3.434 10 5 EGBERN O=C(CC(F)(F)F)N1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342100222 457108391 /nfs/dbraw/zinc/10/83/91/457108391.db2.gz UUSBDALTMJXNPC-UHFFFAOYSA-N 0 0 349.284 3.089 10 5 EGBERN COc1ccc(NC(=O)CCC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000359962958 457173490 /nfs/dbraw/zinc/17/34/90/457173490.db2.gz HMXHQIWKJHINGS-UHFFFAOYSA-N 0 0 346.314 3.344 10 5 EGBERN CN(CC(=O)Nc1ccc(C2CCC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000360089713 457249108 /nfs/dbraw/zinc/24/91/08/457249108.db2.gz SLQCYKVNISYOGO-UHFFFAOYSA-N 0 0 340.383 3.332 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2nccc(C)c2[N+](=O)[O-])c1 ZINC000360100175 457255406 /nfs/dbraw/zinc/25/54/06/457255406.db2.gz CJGHXNHPPQPVRV-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN COc1cc(CN2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773918 457261131 /nfs/dbraw/zinc/26/11/31/457261131.db2.gz YNMFAUKHOHJCGA-AWEZNQCLSA-N 0 0 338.379 3.134 10 5 EGBERN C[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347169402 457267239 /nfs/dbraw/zinc/26/72/39/457267239.db2.gz PCURUGAHMNSLAV-MRVPVSSYSA-N 0 0 328.166 3.374 10 5 EGBERN CCOc1cc(C(=O)NC2CCC3(CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000347212946 457291685 /nfs/dbraw/zinc/29/16/85/457291685.db2.gz UZHRUBSUYLIXTB-UHFFFAOYSA-N 0 0 348.399 3.455 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351609688 457307061 /nfs/dbraw/zinc/30/70/61/457307061.db2.gz MFYBLOCOOMCHPC-ZDUSSCGKSA-N 0 0 349.366 3.357 10 5 EGBERN CSC[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347271528 457322988 /nfs/dbraw/zinc/32/29/88/457322988.db2.gz WONBTHQAWPOPNC-ZETCQYMHSA-N 0 0 333.207 3.295 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@H](c2cccnc2)C2CC2)c2c(c1)COCO2 ZINC000340106694 457334747 /nfs/dbraw/zinc/33/47/47/457334747.db2.gz SLDMWAQCYUQOJV-KRWDZBQOSA-N 0 0 341.367 3.097 10 5 EGBERN CNc1c(C(=O)NCc2ccc(C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000360813520 457365883 /nfs/dbraw/zinc/36/58/83/457365883.db2.gz OZBDHIBQOWATJG-UHFFFAOYSA-N 0 0 325.368 3.444 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425033480 457412391 /nfs/dbraw/zinc/41/23/91/457412391.db2.gz DYSOIPXKIBRCOH-DOMZBBRYSA-N 0 0 348.399 3.177 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000363685778 457414483 /nfs/dbraw/zinc/41/44/83/457414483.db2.gz BXGMHABDPCPQHK-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1[C@H](C)C1CC1 ZINC000342651192 457429629 /nfs/dbraw/zinc/42/96/29/457429629.db2.gz XWYDRWMSAYWDAR-GFCCVEGCSA-N 0 0 328.372 3.053 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000360920187 457432975 /nfs/dbraw/zinc/43/29/75/457432975.db2.gz YPJJKBGBZVDMIQ-UHFFFAOYSA-N 0 0 349.293 3.013 10 5 EGBERN Cc1c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026243 457445573 /nfs/dbraw/zinc/44/55/73/457445573.db2.gz JBFOQYBSGUKTMW-GLJUWKHASA-N 0 0 334.416 3.062 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3nccc4ccccc43)n2)nc1 ZINC000357332902 457452909 /nfs/dbraw/zinc/45/29/09/457452909.db2.gz CGRWFNGQINYELM-UHFFFAOYSA-N 0 0 333.307 3.179 10 5 EGBERN COc1cc(CN2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544612 457454040 /nfs/dbraw/zinc/45/40/40/457454040.db2.gz BKYUTKWXHLKATI-MRXNPFEDSA-N 0 0 334.397 3.238 10 5 EGBERN COC(=O)c1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000425271399 457477347 /nfs/dbraw/zinc/47/73/47/457477347.db2.gz IDGRFNQQBXPNAC-MRVPVSSYSA-N 0 0 337.357 3.020 10 5 EGBERN CSCCCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000357377548 457480056 /nfs/dbraw/zinc/48/00/56/457480056.db2.gz FZCDXNQVKSRHSS-UHFFFAOYSA-N 0 0 348.371 3.459 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000342744650 457494771 /nfs/dbraw/zinc/49/47/71/457494771.db2.gz REZXFHBAFRGSRX-DZGCQCFKSA-N 0 0 342.399 3.425 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cn1 ZINC000361026048 457522116 /nfs/dbraw/zinc/52/21/16/457522116.db2.gz HFGDNDSRMXXFGC-UHFFFAOYSA-N 0 0 327.674 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(OC)c(F)c2)n1 ZINC000342781197 457522490 /nfs/dbraw/zinc/52/24/90/457522490.db2.gz FZYASULBQSGOQR-VIFPVBQESA-N 0 0 349.318 3.097 10 5 EGBERN CCc1nn(C)c(Nc2cnn(CC(C)C)c2C(F)F)c1[N+](=O)[O-] ZINC000361042773 457537136 /nfs/dbraw/zinc/53/71/36/457537136.db2.gz LUBCJIKJSLTWQL-UHFFFAOYSA-N 0 0 342.350 3.424 10 5 EGBERN C[C@@H](NC(=O)[C@H](O)Cc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000357473364 457550050 /nfs/dbraw/zinc/55/00/50/457550050.db2.gz KJMGLJFFXUBTEE-BDJLRTHQSA-N 0 0 348.786 3.029 10 5 EGBERN C[C@@H]1C[C@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357478762 457554611 /nfs/dbraw/zinc/55/46/11/457554611.db2.gz NKUBUGQLPZRKLK-NXEZZACHSA-N 0 0 328.328 3.409 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1c2ccccc2CC[C@H]1CCO ZINC000425481531 457570497 /nfs/dbraw/zinc/57/04/97/457570497.db2.gz GFIQBGVEHLCCJG-AWEZNQCLSA-N 0 0 330.359 3.438 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000357589557 457610158 /nfs/dbraw/zinc/61/01/58/457610158.db2.gz CNPCEWCOQFPDPO-MAUKXSAKSA-N 0 0 327.384 3.185 10 5 EGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)c(OC)c1 ZINC000410348176 457637701 /nfs/dbraw/zinc/63/77/01/457637701.db2.gz HKGILQQWBFMJJB-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN CSc1ccc(C(=O)N2CCOC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000370903359 457737007 /nfs/dbraw/zinc/73/70/07/457737007.db2.gz FIXBOZQNVUOFKF-ZDUSSCGKSA-N 0 0 348.380 3.123 10 5 EGBERN O=[N+]([O-])c1ccc(NCCN2CCc3c(Cl)cccc3C2)cn1 ZINC000443521233 457775209 /nfs/dbraw/zinc/77/52/09/457775209.db2.gz UZGWOCAJYIGPSC-UHFFFAOYSA-N 0 0 332.791 3.113 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000375149475 457810572 /nfs/dbraw/zinc/81/05/72/457810572.db2.gz JYCDZQNPQRCBDR-NSHDSACASA-N 0 0 342.399 3.359 10 5 EGBERN COC(=O)c1cc(N(C)[C@@H](C)CCSC)cc(C)c1[N+](=O)[O-] ZINC000433432407 457832576 /nfs/dbraw/zinc/83/25/76/457832576.db2.gz FWZTULDIWZLWNY-NSHDSACASA-N 0 0 326.418 3.268 10 5 EGBERN COC(=O)c1cc(N2CCC[C@](C)(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000366544989 457845647 /nfs/dbraw/zinc/84/56/47/457845647.db2.gz UJINTWFPUYIERV-KRWDZBQOSA-N 0 0 336.388 3.085 10 5 EGBERN O=C(NCC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000375271305 457859337 /nfs/dbraw/zinc/85/93/37/457859337.db2.gz YLOWCEYTXUEKNN-UHFFFAOYSA-N 0 0 345.424 3.303 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426618465 457863682 /nfs/dbraw/zinc/86/36/82/457863682.db2.gz FJSHCXGCQVQUPQ-NWDGAFQWSA-N 0 0 331.372 3.444 10 5 EGBERN Cc1cc(C)cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000426747815 457893334 /nfs/dbraw/zinc/89/33/34/457893334.db2.gz RYMWCMUJDPZXAZ-QGZVFWFLSA-N 0 0 328.368 3.436 10 5 EGBERN CCc1cc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)oc1CC ZINC000426763376 457895419 /nfs/dbraw/zinc/89/54/19/457895419.db2.gz RPCLLUFMNXMTAN-UHFFFAOYSA-N 0 0 346.339 3.352 10 5 EGBERN Cc1cc(-n2ccnc2)ccc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000361865388 457917460 /nfs/dbraw/zinc/91/74/60/457917460.db2.gz MOKCGSBAJMXPDY-UHFFFAOYSA-N 0 0 349.394 3.042 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000426888652 457922729 /nfs/dbraw/zinc/92/27/29/457922729.db2.gz IVKGFCCCNAMEFF-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN Cn1cc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000444672159 457935735 /nfs/dbraw/zinc/93/57/35/457935735.db2.gz FMPPSLZWNQQQOE-MRXNPFEDSA-N 0 0 342.403 3.082 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000375546871 457967421 /nfs/dbraw/zinc/96/74/21/457967421.db2.gz RCRHLIZASARVJT-CXAGYDPISA-N 0 0 337.383 3.462 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CCC2(CC2)CC1 ZINC000434337394 457978598 /nfs/dbraw/zinc/97/85/98/457978598.db2.gz WUWRREDNNPJUPQ-UHFFFAOYSA-N 0 0 332.404 3.029 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000427601499 458006761 /nfs/dbraw/zinc/00/67/61/458006761.db2.gz LIOOLJBKBUIVAE-DIFFPNOSSA-N 0 0 326.352 3.267 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000362023220 458010068 /nfs/dbraw/zinc/01/00/68/458010068.db2.gz GSQQGDGMFVLTBO-SKDRFNHKSA-N 0 0 346.305 3.406 10 5 EGBERN Cc1cnc(N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000358463338 458018380 /nfs/dbraw/zinc/01/83/80/458018380.db2.gz KWPLFXYGRTZPRH-MRXNPFEDSA-N 0 0 341.346 3.372 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](c2ccccc2)O1 ZINC000427985900 458062603 /nfs/dbraw/zinc/06/26/03/458062603.db2.gz UGRQGHTVHRFYFO-SJKOYZFVSA-N 0 0 338.367 3.438 10 5 EGBERN CSc1cccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000358552538 458071145 /nfs/dbraw/zinc/07/11/45/458071145.db2.gz LFEMNKYZSWKNLG-SMDDNHRTSA-N 0 0 342.367 3.434 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412271888 458149637 /nfs/dbraw/zinc/14/96/37/458149637.db2.gz PKMVWUJYFCSVLJ-JCGIZDLHSA-N 0 0 346.427 3.364 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446610492 458203129 /nfs/dbraw/zinc/20/31/29/458203129.db2.gz MUOIUVIWQILEPM-SDDRHHMPSA-N 0 0 338.429 3.345 10 5 EGBERN C[C@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458889434 458205653 /nfs/dbraw/zinc/20/56/53/458205653.db2.gz OKNOQEDRGWLRFV-SCLBCKFNSA-N 0 0 349.431 3.286 10 5 EGBERN COc1cc(C)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1C ZINC000436396816 458300112 /nfs/dbraw/zinc/30/01/12/458300112.db2.gz JGIFGEQWZNOVPB-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1-n1cccn1 ZINC000447675660 458328886 /nfs/dbraw/zinc/32/88/86/458328886.db2.gz OBGBDDYGUBOCDE-LBPRGKRZSA-N 0 0 348.366 3.252 10 5 EGBERN Cc1cccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)c1 ZINC000373283836 458451638 /nfs/dbraw/zinc/45/16/38/458451638.db2.gz IGPBFTNMBVOVRU-HNNXBMFYSA-N 0 0 325.368 3.236 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430904853 458503069 /nfs/dbraw/zinc/50/30/69/458503069.db2.gz BBAHAFROTASLSZ-LLVKDONJSA-N 0 0 337.807 3.398 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC[C@H]1C ZINC000460202313 458505230 /nfs/dbraw/zinc/50/52/30/458505230.db2.gz OGORTROGHMLYQP-CHWSQXEVSA-N 0 0 329.404 3.498 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000460628356 458528176 /nfs/dbraw/zinc/52/81/76/458528176.db2.gz IQGMLJTTXISZCR-ZBFHGGJFSA-N 0 0 341.415 3.498 10 5 EGBERN COc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)ccc1O ZINC000438092752 458530087 /nfs/dbraw/zinc/53/00/87/458530087.db2.gz ASPNYFIAOWUNQA-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438153378 458542132 /nfs/dbraw/zinc/54/21/32/458542132.db2.gz JUKNTFKEVWHSEE-NVGCLXPQSA-N 0 0 326.352 3.278 10 5 EGBERN COC[C@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431247881 458546423 /nfs/dbraw/zinc/54/64/23/458546423.db2.gz PLMGPAVVWFFKDR-MRVPVSSYSA-N 0 0 345.193 3.277 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000424099739 458558042 /nfs/dbraw/zinc/55/80/42/458558042.db2.gz GLMJMPVMHSQGST-QHCPKHFHSA-N 0 0 335.381 3.228 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000438838842 458619872 /nfs/dbraw/zinc/61/98/72/458619872.db2.gz VEVBPZJPUCCDKD-ZDUSSCGKSA-N 0 0 342.395 3.202 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000438933557 458630820 /nfs/dbraw/zinc/63/08/20/458630820.db2.gz FAVHCWUSRHSOQG-GHMZBOCLSA-N 0 0 326.780 3.102 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000431893298 458641488 /nfs/dbraw/zinc/64/14/88/458641488.db2.gz CZRXSRPUUSIZEV-HNNXBMFYSA-N 0 0 340.379 3.292 10 5 EGBERN Cc1ncsc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439095219 458652397 /nfs/dbraw/zinc/65/23/97/458652397.db2.gz ASIKDQSPUPXDPA-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439307323 458688205 /nfs/dbraw/zinc/68/82/05/458688205.db2.gz XHSUCLOCCXZEBJ-KBPBESRZSA-N 0 0 333.388 3.184 10 5 EGBERN C/C=C\C[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)OCC ZINC000463392926 458694462 /nfs/dbraw/zinc/69/44/62/458694462.db2.gz OXPJAQHHDIBUBZ-QPBFKRLHSA-N 0 0 348.399 3.148 10 5 EGBERN Cc1c(Cn2nc(-c3ccc(F)cc3)ccc2=O)cccc1[N+](=O)[O-] ZINC000503250393 458699333 /nfs/dbraw/zinc/69/93/33/458699333.db2.gz BOLHFUTYVZJZST-UHFFFAOYSA-N 0 0 339.326 3.314 10 5 EGBERN Cc1ccc(CN(CCO)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000432248398 458704226 /nfs/dbraw/zinc/70/42/26/458704226.db2.gz ZIWKEWKXNBSHMG-UHFFFAOYSA-N 0 0 347.371 3.139 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432325664 458715709 /nfs/dbraw/zinc/71/57/09/458715709.db2.gz LVJPVYPGIXBVTI-JTQLQIEISA-N 0 0 326.780 3.416 10 5 EGBERN CC1(C2(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)CC2)CC1 ZINC000456674645 458747893 /nfs/dbraw/zinc/74/78/93/458747893.db2.gz FFKCUXSGAKBITO-UHFFFAOYSA-N 0 0 326.356 3.047 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000456779596 458780108 /nfs/dbraw/zinc/78/01/08/458780108.db2.gz SMCINLLPKZGDKM-LSDHHAIUSA-N 0 0 342.399 3.032 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000530514647 458781539 /nfs/dbraw/zinc/78/15/39/458781539.db2.gz KKHGYSXNGMTFLK-UHFFFAOYSA-N 0 0 326.418 3.042 10 5 EGBERN Cn1c(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000456837953 458796731 /nfs/dbraw/zinc/79/67/31/458796731.db2.gz NXKKYZQEDHZTHQ-ZDUSSCGKSA-N 0 0 335.310 3.189 10 5 EGBERN CCc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000473583859 458835623 /nfs/dbraw/zinc/83/56/23/458835623.db2.gz VGSMKUMGKDEXMF-MRXNPFEDSA-N 0 0 344.415 3.408 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCCc2cccnc21 ZINC000548144261 458844891 /nfs/dbraw/zinc/84/48/91/458844891.db2.gz DRQFIXOXBQLQQI-HNNXBMFYSA-N 0 0 342.399 3.258 10 5 EGBERN COc1ccc2occ(C(=O)NCc3ccccc3[N+](=O)[O-])c2c1 ZINC000440732424 458848118 /nfs/dbraw/zinc/84/81/18/458848118.db2.gz MHZKVMNDYQTHGE-UHFFFAOYSA-N 0 0 326.308 3.280 10 5 EGBERN COC[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000457072165 458854385 /nfs/dbraw/zinc/85/43/85/458854385.db2.gz ZARPCCGPVQTHIN-CQSZACIVSA-N 0 0 334.416 3.148 10 5 EGBERN COC[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000457090975 458862494 /nfs/dbraw/zinc/86/24/94/458862494.db2.gz RIZPBYPZRIGSMM-LBPRGKRZSA-N 0 0 340.807 3.066 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](COC)CC1 ZINC000457096072 458865687 /nfs/dbraw/zinc/86/56/87/458865687.db2.gz VUXWFFWVBPNGSN-IRXDYDNUSA-N 0 0 348.443 3.439 10 5 EGBERN COCc1cccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)c1 ZINC000474780132 458900030 /nfs/dbraw/zinc/90/00/30/458900030.db2.gz MNJLQZVPGKQNGS-UHFFFAOYSA-N 0 0 344.367 3.448 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000474795151 458900987 /nfs/dbraw/zinc/90/09/87/458900987.db2.gz VNLDNKPVWYMGBJ-WQVCFCJDSA-N 0 0 348.399 3.305 10 5 EGBERN COC(=O)c1cc(N(C)CCc2cccs2)cc(C)c1[N+](=O)[O-] ZINC000474791022 458901032 /nfs/dbraw/zinc/90/10/32/458901032.db2.gz PLQZQHOYKIMKSN-UHFFFAOYSA-N 0 0 334.397 3.430 10 5 EGBERN CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000467122695 458952142 /nfs/dbraw/zinc/95/21/42/458952142.db2.gz QBJMBRGUEVLCCZ-LLVKDONJSA-N 0 0 332.447 3.246 10 5 EGBERN CC[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630705 458956455 /nfs/dbraw/zinc/95/64/55/458956455.db2.gz IIYLBFJKWOVMHM-HUXJOUILSA-N 0 0 346.427 3.268 10 5 EGBERN COc1cc(N(C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1F ZINC000519847148 459014887 /nfs/dbraw/zinc/01/48/87/459014887.db2.gz VLIGCHIAJVPISP-UHFFFAOYSA-N 0 0 333.363 3.445 10 5 EGBERN O=C(Nc1cccc(COCC2CC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532137737 459036044 /nfs/dbraw/zinc/03/60/44/459036044.db2.gz ZBZGXAJOOZFVTP-UHFFFAOYSA-N 0 0 327.340 3.169 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1COc2ccccc2C1 ZINC000477273215 459037706 /nfs/dbraw/zinc/03/77/06/459037706.db2.gz VKYUBNZOSSNJPW-CYBMUJFWSA-N 0 0 346.770 3.290 10 5 EGBERN Cc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594517430 459075540 /nfs/dbraw/zinc/07/55/40/459075540.db2.gz CJAKPMSDOAHFSU-JSGCOSHPSA-N 0 0 332.322 3.493 10 5 EGBERN O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532392170 459078940 /nfs/dbraw/zinc/07/89/40/459078940.db2.gz IGXHNDYDEZLKCC-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CCCCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C(C)C ZINC000557586246 459087878 /nfs/dbraw/zinc/08/78/78/459087878.db2.gz WLONCOQGBTUFGS-UHFFFAOYSA-N 0 0 331.376 3.362 10 5 EGBERN COC(=O)C(C)(C)[C@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000594571528 459095354 /nfs/dbraw/zinc/09/53/54/459095354.db2.gz LOWGQJHYGSJIAS-LBPRGKRZSA-N 0 0 336.388 3.019 10 5 EGBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594599777 459105345 /nfs/dbraw/zinc/10/53/45/459105345.db2.gz MYCXVFUWYSDUPP-GFCCVEGCSA-N 0 0 330.388 3.399 10 5 EGBERN COC[C@@H](CC(C)(C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000594601400 459106284 /nfs/dbraw/zinc/10/62/84/459106284.db2.gz UEUIAXBOIKJGJI-CQSZACIVSA-N 0 0 349.431 3.350 10 5 EGBERN CNc1ccc(C(=O)Nc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000557808589 459109742 /nfs/dbraw/zinc/10/97/42/459109742.db2.gz VWBZWOTWZRNDOR-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590401224 459124937 /nfs/dbraw/zinc/12/49/37/459124937.db2.gz JOUQRNDHLQAGTK-AWEZNQCLSA-N 0 0 325.368 3.318 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000590451871 459133197 /nfs/dbraw/zinc/13/31/97/459133197.db2.gz VBNLFWTUXLLSCV-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000567620878 459134838 /nfs/dbraw/zinc/13/48/38/459134838.db2.gz RLCYXQKOVWIZLM-YSVLISHTSA-N 0 0 336.432 3.077 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2ccc3c(c2)CCOC3)c1 ZINC000594707362 459135145 /nfs/dbraw/zinc/13/51/45/459135145.db2.gz RAVGFHNXPXYIPI-UHFFFAOYSA-N 0 0 342.351 3.066 10 5 EGBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000594733818 459143953 /nfs/dbraw/zinc/14/39/53/459143953.db2.gz HGPDAARJMDMBEY-UHFFFAOYSA-N 0 0 330.340 3.266 10 5 EGBERN CN(C)c1cnn(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000590569883 459151453 /nfs/dbraw/zinc/15/14/53/459151453.db2.gz UCJATDPGYGLLNQ-UHFFFAOYSA-N 0 0 349.822 3.352 10 5 EGBERN COc1ccc([C@@H](C)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC000594908416 459172495 /nfs/dbraw/zinc/17/24/95/459172495.db2.gz LOBLKQKPOIOMMZ-ZDUSSCGKSA-N 0 0 342.395 3.448 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2cnn3c2CCC3)cc(C(F)(F)F)c1 ZINC000594939928 459184631 /nfs/dbraw/zinc/18/46/31/459184631.db2.gz VOMZANYRQPVDFR-UHFFFAOYSA-N 0 0 340.305 3.046 10 5 EGBERN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000521905510 459192196 /nfs/dbraw/zinc/19/21/96/459192196.db2.gz PWQTXACWHCDQJW-FUHWJXTLSA-N 0 0 346.427 3.493 10 5 EGBERN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000594964931 459197116 /nfs/dbraw/zinc/19/71/16/459197116.db2.gz DTQOJYBUZGHCCR-NSHDSACASA-N 0 0 343.412 3.303 10 5 EGBERN COC(=O)c1cc(N2CC[C@@H](C(F)(F)F)[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000480555475 459204719 /nfs/dbraw/zinc/20/47/19/459204719.db2.gz POFOBKNDVXQNQM-BXKDBHETSA-N 0 0 346.305 3.467 10 5 EGBERN CC(C)[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC12CCCC2 ZINC000590765904 459209304 /nfs/dbraw/zinc/20/93/04/459209304.db2.gz PREPNYLYFDSZAO-CYBMUJFWSA-N 0 0 344.458 3.246 10 5 EGBERN CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000558763636 459209377 /nfs/dbraw/zinc/20/93/77/459209377.db2.gz CCGNMSFIAQJHES-AWEZNQCLSA-N 0 0 345.424 3.297 10 5 EGBERN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nccn1C ZINC000594996635 459209561 /nfs/dbraw/zinc/20/95/61/459209561.db2.gz UPEGIIZEFQGJDT-NSHDSACASA-N 0 0 343.412 3.303 10 5 EGBERN C[C@@H](C(=O)N1CCC2(CCC(O)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590767148 459210379 /nfs/dbraw/zinc/21/03/79/459210379.db2.gz RVFWWNNUNBWFNB-CQSZACIVSA-N 0 0 346.427 3.242 10 5 EGBERN COCc1ccc(COc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000558832463 459215686 /nfs/dbraw/zinc/21/56/86/459215686.db2.gz CQECJRAMHIANKI-UHFFFAOYSA-N 0 0 331.324 3.107 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CO)c1sccc1C ZINC000595025887 459221288 /nfs/dbraw/zinc/22/12/88/459221288.db2.gz JVGDBPSJKMBXMR-RISCZKNCSA-N 0 0 336.413 3.358 10 5 EGBERN C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064158 459233593 /nfs/dbraw/zinc/23/35/93/459233593.db2.gz DRTLRSUVRBDWBN-VCTAVGKDSA-N 0 0 327.388 3.204 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(S[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000481125496 459235024 /nfs/dbraw/zinc/23/50/24/459235024.db2.gz TYYXWPBJFPIAIQ-VIFPVBQESA-N 0 0 341.385 3.204 10 5 EGBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595101878 459245163 /nfs/dbraw/zinc/24/51/63/459245163.db2.gz HZQPFTCTKCXNKU-GFCCVEGCSA-N 0 0 335.404 3.091 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CCO2)c1 ZINC000595353509 459282697 /nfs/dbraw/zinc/28/26/97/459282697.db2.gz QLPGMRTYIXHBND-SFHVURJKSA-N 0 0 346.358 3.316 10 5 EGBERN CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)(C1CC1)C1CC1 ZINC000595365046 459284419 /nfs/dbraw/zinc/28/44/19/459284419.db2.gz ULNQMULLIBVNCW-UHFFFAOYSA-N 0 0 344.820 3.105 10 5 EGBERN C[C@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000595478558 459318141 /nfs/dbraw/zinc/31/81/41/459318141.db2.gz AIAIXNWAGJPUBB-KGLIPLIRSA-N 0 0 347.415 3.399 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000595489738 459323292 /nfs/dbraw/zinc/32/32/92/459323292.db2.gz OHJHJTZOUUVWMJ-UHFFFAOYSA-N 0 0 330.315 3.107 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1(C)C ZINC000591201014 459331706 /nfs/dbraw/zinc/33/17/06/459331706.db2.gz NTNQPYHWVAHTIN-UONOGXRCSA-N 0 0 337.420 3.063 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549328 459342852 /nfs/dbraw/zinc/34/28/52/459342852.db2.gz CNBZBAFSGGOTMH-MRXNPFEDSA-N 0 0 345.374 3.481 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595546740 459343304 /nfs/dbraw/zinc/34/33/04/459343304.db2.gz QODYOTLMSFTAOP-XWIAVFTESA-N 0 0 347.415 3.032 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595551867 459344644 /nfs/dbraw/zinc/34/46/44/459344644.db2.gz ZEWVPCBDOFZILB-UGSOOPFHSA-N 0 0 347.415 3.175 10 5 EGBERN Cc1c(CNC(=O)N2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595588029 459357224 /nfs/dbraw/zinc/35/72/24/459357224.db2.gz NIFPQBJSGFPFRU-ZDUSSCGKSA-N 0 0 347.415 3.146 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595741780 459421387 /nfs/dbraw/zinc/42/13/87/459421387.db2.gz ZFAVZDMXTKVXQA-MJBXVCDLSA-N 0 0 338.429 3.210 10 5 EGBERN O=C(CN1CCC[C@@H](CCF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595754760 459427847 /nfs/dbraw/zinc/42/78/47/459427847.db2.gz BQOCHXKTYYGJFA-NSHDSACASA-N 0 0 343.786 3.258 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000541114762 459427922 /nfs/dbraw/zinc/42/79/22/459427922.db2.gz FRRWDJYFDZEKSA-ZIAGYGMSSA-N 0 0 336.388 3.387 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595784790 459439657 /nfs/dbraw/zinc/43/96/57/459439657.db2.gz HBUBEGUDMRZVOO-JMCQJSRRSA-N 0 0 340.248 3.025 10 5 EGBERN COc1cc(CN2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000595815368 459449388 /nfs/dbraw/zinc/44/93/88/459449388.db2.gz OPTJIVFEHBARST-LBPRGKRZSA-N 0 0 338.379 3.276 10 5 EGBERN O=C(NC[C@H]1CCCS1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000569542057 459466908 /nfs/dbraw/zinc/46/69/08/459466908.db2.gz WSSYJFFCQHLEAL-GFCCVEGCSA-N 0 0 338.432 3.307 10 5 EGBERN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595894307 459477492 /nfs/dbraw/zinc/47/74/92/459477492.db2.gz TZXNNBRWRVTHFR-CABZTGNLSA-N 0 0 336.285 3.276 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CC(c3nc4ccccc4[nH]3)C1)CCCC2 ZINC000591922571 459484751 /nfs/dbraw/zinc/48/47/51/459484751.db2.gz YGHOFVQPPDFZEJ-UHFFFAOYSA-N 0 0 349.394 3.349 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000591925377 459487509 /nfs/dbraw/zinc/48/75/09/459487509.db2.gz NAGSIXKECQDKSM-GJZGRUSLSA-N 0 0 331.416 3.122 10 5 EGBERN COc1ccc(CNC(=O)N2CCCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000591925627 459487941 /nfs/dbraw/zinc/48/79/41/459487941.db2.gz VVFQHHVBENHGHC-OAHLLOKOSA-N 0 0 347.415 3.468 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC3(CCOCC3)CC1)CCCC2 ZINC000591939354 459492025 /nfs/dbraw/zinc/49/20/25/459492025.db2.gz BYRNQOUITQDZSY-UHFFFAOYSA-N 0 0 331.416 3.266 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000596001163 459492261 /nfs/dbraw/zinc/49/22/61/459492261.db2.gz LTSUEDSTLNQJQR-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN CC[C@H](NC(=O)NCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000591976299 459501931 /nfs/dbraw/zinc/50/19/31/459501931.db2.gz QHFOAPGFHFCTDP-KRWDZBQOSA-N 0 0 343.383 3.038 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[C@]1(O)CCOC1 ZINC000591987933 459505242 /nfs/dbraw/zinc/50/52/42/459505242.db2.gz NJITUBXFXMZPSI-HNNXBMFYSA-N 0 0 328.796 3.146 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@]1(O)CCOC1 ZINC000591986709 459505614 /nfs/dbraw/zinc/50/56/14/459505614.db2.gz DKBRKTGREMQQGY-AWEZNQCLSA-N 0 0 348.321 3.203 10 5 EGBERN COc1cc(N[C@H]2c3ccccc3C[C@@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000596079060 459511152 /nfs/dbraw/zinc/51/11/52/459511152.db2.gz XMCBAZOOVCDJPV-HOCLYGCPSA-N 0 0 334.759 3.327 10 5 EGBERN COc1cc(N[C@H]2c3ccccc3C[C@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000596079061 459511593 /nfs/dbraw/zinc/51/15/93/459511593.db2.gz XMCBAZOOVCDJPV-ZBFHGGJFSA-N 0 0 334.759 3.327 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000592080070 459520349 /nfs/dbraw/zinc/52/03/49/459520349.db2.gz JIYOZIINBNBBDW-BETUJISGSA-N 0 0 349.431 3.475 10 5 EGBERN COC(=O)c1c(Cl)c(NC2CCSCC2)ccc1[N+](=O)[O-] ZINC000596102550 459521068 /nfs/dbraw/zinc/52/10/68/459521068.db2.gz CUNOWTJXCFHTSF-UHFFFAOYSA-N 0 0 330.793 3.342 10 5 EGBERN CCOc1cccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000542047476 459523663 /nfs/dbraw/zinc/52/36/63/459523663.db2.gz SKWUCWVSXFLHQQ-UHFFFAOYSA-N 0 0 330.340 3.392 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2CCC2)c(F)c1 ZINC000592114727 459526420 /nfs/dbraw/zinc/52/64/20/459526420.db2.gz UGFKUJOWQKGCMB-CQSZACIVSA-N 0 0 342.392 3.077 10 5 EGBERN CCC[C@@H](C)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272370 459526842 /nfs/dbraw/zinc/52/68/42/459526842.db2.gz FCTZEZUAICVPNF-GFCCVEGCSA-N 0 0 332.404 3.449 10 5 EGBERN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1Cc1ccccc1 ZINC000542137920 459527879 /nfs/dbraw/zinc/52/78/79/459527879.db2.gz KCHFHXNINNIYSV-GUYCJALGSA-N 0 0 325.368 3.196 10 5 EGBERN COC(=O)C[C@@H](C)Sc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596128859 459530348 /nfs/dbraw/zinc/53/03/48/459530348.db2.gz PCYZLZVZFJYPDC-SSDOTTSWSA-N 0 0 347.776 3.079 10 5 EGBERN Cc1cc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)no1 ZINC000592130310 459530941 /nfs/dbraw/zinc/53/09/41/459530941.db2.gz BCKIAIWYZKHUCL-QAQDUYKDSA-N 0 0 345.399 3.197 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1NCC1(O)Cc2ccccc2C1 ZINC000596134686 459532585 /nfs/dbraw/zinc/53/25/85/459532585.db2.gz OFRXHRSHWRHWEC-UHFFFAOYSA-N 0 0 334.322 3.474 10 5 EGBERN COc1cc(NCCn2cnnc2C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596144823 459535982 /nfs/dbraw/zinc/53/59/82/459535982.db2.gz JHGBUYZQXHQJOL-UHFFFAOYSA-N 0 0 339.783 3.084 10 5 EGBERN NC(=O)c1ccc(CNC2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000592145694 459536599 /nfs/dbraw/zinc/53/65/99/459536599.db2.gz XMKBIGJSRWKXBM-UHFFFAOYSA-N 0 0 343.358 3.002 10 5 EGBERN COc1cc(NC[C@@H](CO)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000596152266 459538269 /nfs/dbraw/zinc/53/82/69/459538269.db2.gz NMMDTFLOKMPDQE-LBPRGKRZSA-N 0 0 336.775 3.445 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000596156041 459540995 /nfs/dbraw/zinc/54/09/95/459540995.db2.gz ZTRLIWXEQZGZFR-RLFDGXBXSA-N 0 0 341.367 3.059 10 5 EGBERN C[C@H](C(=O)NCCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000562400704 459554825 /nfs/dbraw/zinc/55/48/25/459554825.db2.gz GRTRDWUJJOPDPA-VBQJREDUSA-N 0 0 334.416 3.146 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3cc(C)sc3[N+](=O)[O-])C2)n(C)n1 ZINC000596212950 459561104 /nfs/dbraw/zinc/56/11/04/459561104.db2.gz PAUUYPGKIVCQIQ-GFCCVEGCSA-N 0 0 335.433 3.088 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000497992781 459563874 /nfs/dbraw/zinc/56/38/74/459563874.db2.gz IGRVNGLGBIFNQT-GDBMZVCRSA-N 0 0 348.443 3.128 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCCO1 ZINC000596221553 459566210 /nfs/dbraw/zinc/56/62/10/459566210.db2.gz YMOYFYZESXWXNP-JTQLQIEISA-N 0 0 342.779 3.040 10 5 EGBERN O=[N+]([O-])c1cc(N2CC[C@H](OC(F)F)C2)ccc1C(F)(F)F ZINC000596225715 459566582 /nfs/dbraw/zinc/56/65/82/459566582.db2.gz GEMPVZCMEASTCC-QMMMGPOBSA-N 0 0 326.221 3.432 10 5 EGBERN COc1cc(N2CC[C@]3(C2)CCCOC3)c(Cl)cc1[N+](=O)[O-] ZINC000596225122 459567024 /nfs/dbraw/zinc/56/70/24/459567024.db2.gz JZNFEUIPPQFTML-HNNXBMFYSA-N 0 0 326.780 3.264 10 5 EGBERN COc1cc(NCCO[C@@H]2CCCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596242556 459573473 /nfs/dbraw/zinc/57/34/73/459573473.db2.gz XBZBRLIVVCBEKX-CQSZACIVSA-N 0 0 330.768 3.212 10 5 EGBERN COc1cc(NCc2nnc(C(C)(C)C)[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC000596265146 459579025 /nfs/dbraw/zinc/57/90/25/459579025.db2.gz PCIIRJWFBYEXBB-UHFFFAOYSA-N 0 0 339.783 3.285 10 5 EGBERN CC[C@H](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596288507 459585646 /nfs/dbraw/zinc/58/56/46/459585646.db2.gz JUJPDSGTHUZMMI-UWVGGRQHSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)COCC2CC2)ccc1[N+](=O)[O-] ZINC000596295491 459588100 /nfs/dbraw/zinc/58/81/00/459588100.db2.gz NUUUDTJGPNYODS-VIFPVBQESA-N 0 0 342.779 3.262 10 5 EGBERN CCOC(=O)c1cc(NC[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000596311372 459592530 /nfs/dbraw/zinc/59/25/30/459592530.db2.gz BYFQLFIRCUNDRZ-LBPRGKRZSA-N 0 0 329.356 3.382 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccc(F)cc2C)n1 ZINC000596327261 459597187 /nfs/dbraw/zinc/59/71/87/459597187.db2.gz HHGJWBSFIQAHPZ-LLVKDONJSA-N 0 0 347.346 3.267 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592463333 459607080 /nfs/dbraw/zinc/60/70/80/459607080.db2.gz GWIMQLLCJACXQG-KRWDZBQOSA-N 0 0 337.379 3.467 10 5 EGBERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000573006930 459610652 /nfs/dbraw/zinc/61/06/52/459610652.db2.gz SVWDGPWHWMHUTQ-LNSITVRQSA-N 0 0 337.420 3.061 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCO[C@@H]1CC1(F)F ZINC000596446003 459638923 /nfs/dbraw/zinc/63/89/23/459638923.db2.gz CAMRVTOOIVMXLD-SNVBAGLBSA-N 0 0 326.221 3.450 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@]2(C)COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596454826 459641609 /nfs/dbraw/zinc/64/16/09/459641609.db2.gz PFCRYCQTBWOUAV-NXHRZFHOSA-N 0 0 347.415 3.114 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596455257 459641626 /nfs/dbraw/zinc/64/16/26/459641626.db2.gz RCRHYINCWGNZBV-CVEARBPZSA-N 0 0 349.431 3.142 10 5 EGBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596471240 459648274 /nfs/dbraw/zinc/64/82/74/459648274.db2.gz XTJVSPCBAYLFRW-YOEHRIQHSA-N 0 0 341.367 3.289 10 5 EGBERN CC(C)(C)OC(=O)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000596491880 459655157 /nfs/dbraw/zinc/65/51/57/459655157.db2.gz IYUUKXMCYYGPRF-UHFFFAOYSA-N 0 0 349.387 3.228 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596500617 459657691 /nfs/dbraw/zinc/65/76/91/459657691.db2.gz CVFZYOWKVZTRDW-UHFFFAOYSA-N 0 0 337.383 3.178 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CC(F)F)cc1SC ZINC000592672904 459661532 /nfs/dbraw/zinc/66/15/32/459661532.db2.gz POGKQGKEPCOWGG-QMMMGPOBSA-N 0 0 348.371 3.346 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000596513466 459662310 /nfs/dbraw/zinc/66/23/10/459662310.db2.gz XVUJBGCBWNIPEN-ZDUSSCGKSA-N 0 0 341.358 3.436 10 5 EGBERN COc1cc(N2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596514036 459663249 /nfs/dbraw/zinc/66/32/49/459663249.db2.gz FTBMBVZFWKZLHS-UHFFFAOYSA-N 0 0 336.363 3.138 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4COC[C@@H]4C3)n2)cc1 ZINC000596529385 459668310 /nfs/dbraw/zinc/66/83/10/459668310.db2.gz RMDAQPZDSWQLNY-STQMWFEESA-N 0 0 331.397 3.191 10 5 EGBERN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555651 459675502 /nfs/dbraw/zinc/67/55/02/459675502.db2.gz SBJBKWDZYCNQAC-VXNVDRBHSA-N 0 0 339.701 3.189 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000592729309 459678024 /nfs/dbraw/zinc/67/80/24/459678024.db2.gz KLUPEJYNNUGOPK-NSHDSACASA-N 0 0 338.791 3.340 10 5 EGBERN CC(=O)c1cc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596573061 459682434 /nfs/dbraw/zinc/68/24/34/459682434.db2.gz SFSRBYLUHUABPS-PSLIRLAXSA-N 0 0 328.315 3.046 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H]3OCCO[C@@H]3c3ccccc3)n2)o1 ZINC000596602107 459693290 /nfs/dbraw/zinc/69/32/90/459693290.db2.gz ZSOUPBWKZWVVDA-ZIAGYGMSSA-N 0 0 343.295 3.067 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592856315 459704878 /nfs/dbraw/zinc/70/48/78/459704878.db2.gz ZYRYUPGZGORSNS-LRDDRELGSA-N 0 0 340.445 3.133 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000543902723 459710948 /nfs/dbraw/zinc/71/09/48/459710948.db2.gz UONMCZIJUJPSQE-SNVBAGLBSA-N 0 0 344.323 3.283 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]c(C(C)C)c1C ZINC000592950330 459723289 /nfs/dbraw/zinc/72/32/89/459723289.db2.gz SMFJLSLMRBHOPO-CQSZACIVSA-N 0 0 344.415 3.379 10 5 EGBERN C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000593020559 459742158 /nfs/dbraw/zinc/74/21/58/459742158.db2.gz OPXDFOZBRWNQKB-SECBINFHSA-N 0 0 326.278 3.254 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000593073745 459765012 /nfs/dbraw/zinc/76/50/12/459765012.db2.gz XRXFOZKKHZOMHM-LLVKDONJSA-N 0 0 334.347 3.315 10 5 EGBERN Cc1cnc(CCN(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000584564077 459767122 /nfs/dbraw/zinc/76/71/22/459767122.db2.gz UWUAXIDQNVNCGK-LBPRGKRZSA-N 0 0 333.413 3.164 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000596823039 459771381 /nfs/dbraw/zinc/77/13/81/459771381.db2.gz NLCVXWQEDRORBZ-BBRMVZONSA-N 0 0 347.415 3.226 10 5 EGBERN CC(C)(NC(=O)NC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596826838 459772198 /nfs/dbraw/zinc/77/21/98/459772198.db2.gz XWXFNWMHLSIVCQ-CQSZACIVSA-N 0 0 327.331 3.174 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000596835949 459774520 /nfs/dbraw/zinc/77/45/20/459774520.db2.gz COMNGMOTQDWFOM-UHFFFAOYSA-N 0 0 347.415 3.492 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000596844455 459777105 /nfs/dbraw/zinc/77/71/05/459777105.db2.gz YAVROBWEQKYTGD-HDICACEKSA-N 0 0 345.399 3.328 10 5 EGBERN COC(=O)c1ccc(-c2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000584641219 459777774 /nfs/dbraw/zinc/77/77/74/459777774.db2.gz RTGYGUKKUVKIMW-UHFFFAOYSA-N 0 0 337.129 3.206 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117054 459777800 /nfs/dbraw/zinc/77/78/00/459777800.db2.gz MOZGPRVIUZZFQI-CYBMUJFWSA-N 0 0 338.404 3.156 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000596867959 459783055 /nfs/dbraw/zinc/78/30/55/459783055.db2.gz UNXRJHVRKYFNSW-OAHLLOKOSA-N 0 0 343.330 3.100 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000596903977 459791170 /nfs/dbraw/zinc/79/11/70/459791170.db2.gz MIYQVRQBZZGTIL-HNNXBMFYSA-N 0 0 344.415 3.488 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC1CCC1 ZINC000574375693 459810940 /nfs/dbraw/zinc/81/09/40/459810940.db2.gz PKOVDXDSWHBLQJ-INIZCTEOSA-N 0 0 334.416 3.096 10 5 EGBERN CC(C)n1cnc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000593232406 459815576 /nfs/dbraw/zinc/81/55/76/459815576.db2.gz NGYGQGKNBLPPBE-UHFFFAOYSA-N 0 0 343.265 3.038 10 5 EGBERN COc1cc(F)c(OCc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000593241988 459817612 /nfs/dbraw/zinc/81/76/12/459817612.db2.gz TYNXCJPUASNIGM-UHFFFAOYSA-N 0 0 337.303 3.339 10 5 EGBERN CC[C@@H](OCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593248416 459819410 /nfs/dbraw/zinc/81/94/10/459819410.db2.gz BIAJAQOCPOTWCF-GOSISDBHSA-N 0 0 342.395 3.421 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593279182 459827314 /nfs/dbraw/zinc/82/73/14/459827314.db2.gz JDWLNZOOFXEHKC-HNNXBMFYSA-N 0 0 338.791 3.183 10 5 EGBERN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090138 459835461 /nfs/dbraw/zinc/83/54/61/459835461.db2.gz HLFIHBAQINKOIN-HRDYMLBCSA-N 0 0 326.784 3.339 10 5 EGBERN Nc1c(NC(=O)N2CC[C@]3(CC3(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090399 459835746 /nfs/dbraw/zinc/83/57/46/459835746.db2.gz LKWSIFVMBLMJJK-LBPRGKRZSA-N 0 0 346.721 3.093 10 5 EGBERN CC[C@@H](C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)OC ZINC000597092420 459835796 /nfs/dbraw/zinc/83/57/96/459835796.db2.gz KLASGGQCXNVCJW-PRHODGIISA-N 0 0 344.799 3.013 10 5 EGBERN Nc1c(NC(=O)N2CCCC[C@H]2C(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597092739 459836757 /nfs/dbraw/zinc/83/67/57/459836757.db2.gz RTBANTHYLLWVCD-VIFPVBQESA-N 0 0 348.737 3.482 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1F ZINC000597101599 459837386 /nfs/dbraw/zinc/83/73/86/459837386.db2.gz SGTBJGGDFLRSIU-IONNQARKSA-N 0 0 330.747 3.042 10 5 EGBERN COCCC(C)(C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101435 459837612 /nfs/dbraw/zinc/83/76/12/459837612.db2.gz QOODTKRGPIVTIQ-UHFFFAOYSA-N 0 0 344.799 3.015 10 5 EGBERN Cc1ccc(-c2noc(Cn3ncc4ccccc43)n2)cc1[N+](=O)[O-] ZINC000545569588 459838292 /nfs/dbraw/zinc/83/82/92/459838292.db2.gz KDMNUQZRNBEXNM-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000585752883 459840658 /nfs/dbraw/zinc/84/06/58/459840658.db2.gz YBRANDCLNLOHKC-QVHKTLOISA-N 0 0 331.416 3.215 10 5 EGBERN CCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585756870 459842251 /nfs/dbraw/zinc/84/22/51/459842251.db2.gz GXEXXAWHAWMNFJ-NSHDSACASA-N 0 0 335.404 3.136 10 5 EGBERN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593330723 459848162 /nfs/dbraw/zinc/84/81/62/459848162.db2.gz LOKDJPDPOPMHEH-AWEZNQCLSA-N 0 0 339.395 3.466 10 5 EGBERN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593332911 459849167 /nfs/dbraw/zinc/84/91/67/459849167.db2.gz LTVNJLYZHRXHKI-IAQYHMDHSA-N 0 0 330.340 3.292 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593352686 459858893 /nfs/dbraw/zinc/85/88/93/459858893.db2.gz HHBZBXWOKNREIX-CZUORRHYSA-N 0 0 338.354 3.421 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372167 459870247 /nfs/dbraw/zinc/87/02/47/459870247.db2.gz XNXIIYVQVCBKJZ-ZFWWWQNUSA-N 0 0 339.342 3.487 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1OC)CCC2 ZINC000598362445 459878748 /nfs/dbraw/zinc/87/87/48/459878748.db2.gz AFSUYDUUCGFCPJ-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211787 459879420 /nfs/dbraw/zinc/87/94/20/459879420.db2.gz OVZNYAPBSHZHLQ-KSSFIOAISA-N 0 0 328.368 3.323 10 5 EGBERN C[C@@H](NC(=O)C1CCC(C(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593410886 459881994 /nfs/dbraw/zinc/88/19/94/459881994.db2.gz GNTZMBOQWOHCLH-DNOWBOINSA-N 0 0 334.416 3.349 10 5 EGBERN CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000598381259 459884075 /nfs/dbraw/zinc/88/40/75/459884075.db2.gz MHUNKTBCYLWPEJ-QGZVFWFLSA-N 0 0 331.416 3.359 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(C)C)C2CC2)cc1SC ZINC000598381909 459884364 /nfs/dbraw/zinc/88/43/64/459884364.db2.gz RVFQAEROFQLQFW-OAHLLOKOSA-N 0 0 338.429 3.490 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](C2CCC2)C1 ZINC000598395542 459887712 /nfs/dbraw/zinc/88/77/12/459887712.db2.gz DSOOXCXXPVGDJC-GFCCVEGCSA-N 0 0 338.354 3.454 10 5 EGBERN Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587015461 459890699 /nfs/dbraw/zinc/89/06/99/459890699.db2.gz ABKCAQNIPPMYPP-UHFFFAOYSA-N 0 0 347.440 3.323 10 5 EGBERN Nc1cc(N[C@@H](c2ccccc2)[C@H]2CCCO2)cc(CO)c1[N+](=O)[O-] ZINC000587784350 459895362 /nfs/dbraw/zinc/89/53/62/459895362.db2.gz CAJQFPHHZOHULJ-SJORKVTESA-N 0 0 343.383 3.002 10 5 EGBERN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256175 459897511 /nfs/dbraw/zinc/89/75/11/459897511.db2.gz LQLRUKFMQNSZCI-BTCCRZGASA-N 0 0 326.343 3.353 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593467595 459898364 /nfs/dbraw/zinc/89/83/64/459898364.db2.gz LNECUBBSBDRGFH-GFCCVEGCSA-N 0 0 343.383 3.311 10 5 EGBERN CCOCCC1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCC1 ZINC000587999445 459900672 /nfs/dbraw/zinc/90/06/72/459900672.db2.gz XRYILLBSDUUXQJ-UHFFFAOYSA-N 0 0 337.420 3.068 10 5 EGBERN C[C@]1(c2cccc(F)c2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000593481313 459901326 /nfs/dbraw/zinc/90/13/26/459901326.db2.gz JUHLVWSYOGMVRV-SFHVURJKSA-N 0 0 343.358 3.001 10 5 EGBERN CC[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000597279393 459902428 /nfs/dbraw/zinc/90/24/28/459902428.db2.gz POMNCVUNSKBYSU-CHWSQXEVSA-N 0 0 329.404 3.405 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000593481973 459902596 /nfs/dbraw/zinc/90/25/96/459902596.db2.gz LXGCMKNDHBVDID-YXJHDRRASA-N 0 0 327.384 3.273 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593482606 459902964 /nfs/dbraw/zinc/90/29/64/459902964.db2.gz VACPHLNRKGAMGW-KRWDZBQOSA-N 0 0 332.379 3.427 10 5 EGBERN C[C@H](C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000598460289 459903228 /nfs/dbraw/zinc/90/32/28/459903228.db2.gz WYSWBGHASYXLSG-DYXNOWSOSA-N 0 0 340.354 3.292 10 5 EGBERN C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000597282429 459903479 /nfs/dbraw/zinc/90/34/79/459903479.db2.gz OROVAYRVONQSSU-RHSMWYFYSA-N 0 0 334.416 3.239 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000597283965 459903764 /nfs/dbraw/zinc/90/37/64/459903764.db2.gz XPHYDXNDQJNRDX-PBHICJAKSA-N 0 0 349.431 3.027 10 5 EGBERN Cc1c(CC(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000546210214 459903798 /nfs/dbraw/zinc/90/37/98/459903798.db2.gz PSRXKKAJZLTFEL-DJJJIMSYSA-N 0 0 348.443 3.139 10 5 EGBERN Nc1cc(N[C@H]2CCCc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000588038037 459905201 /nfs/dbraw/zinc/90/52/01/459905201.db2.gz DCFCQYOITKGXOO-INIZCTEOSA-N 0 0 331.347 3.298 10 5 EGBERN Cc1ccccc1[C@]1(F)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588042570 459905354 /nfs/dbraw/zinc/90/53/54/459905354.db2.gz VTXJSEKCBCQBMU-SFHVURJKSA-N 0 0 345.374 3.053 10 5 EGBERN Nc1cc(N[C@@H]2CCCc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000588038038 459905382 /nfs/dbraw/zinc/90/53/82/459905382.db2.gz DCFCQYOITKGXOO-MRXNPFEDSA-N 0 0 331.347 3.298 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N[C@H](C1CC1)C1CCOCC1)CCCC2 ZINC000593492265 459906045 /nfs/dbraw/zinc/90/60/45/459906045.db2.gz WTJKDQLNUKPLCG-QGZVFWFLSA-N 0 0 331.416 3.486 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000593491361 459906130 /nfs/dbraw/zinc/90/61/30/459906130.db2.gz HDTCMWDQEWTQNH-KRWDZBQOSA-N 0 0 327.384 3.182 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](c1ccccc1)C(F)(F)F ZINC000609128074 459906603 /nfs/dbraw/zinc/90/66/03/459906603.db2.gz PHEMSFDKRQBTEE-CYBMUJFWSA-N 0 0 341.289 3.309 10 5 EGBERN CNC(=O)c1ccc(N2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593503720 459908780 /nfs/dbraw/zinc/90/87/80/459908780.db2.gz KXPNHYHJBYNOKG-ZDUSSCGKSA-N 0 0 339.395 3.121 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000609140968 459909944 /nfs/dbraw/zinc/90/99/44/459909944.db2.gz FHELWFJCJGESAJ-SECBINFHSA-N 0 0 339.307 3.033 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000598506314 459924559 /nfs/dbraw/zinc/92/45/59/459924559.db2.gz DWPKTOUOFYMFGB-CMPLNLGQSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)c2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000597350633 459926616 /nfs/dbraw/zinc/92/66/16/459926616.db2.gz SPXAZLVWKHNMIX-GFCCVEGCSA-N 0 0 342.399 3.395 10 5 EGBERN O=C(N[C@H]1CCCC1(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000588180604 459927701 /nfs/dbraw/zinc/92/77/01/459927701.db2.gz CLXCDFGVGIYWEQ-JTQLQIEISA-N 0 0 336.241 3.114 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000598541178 459932730 /nfs/dbraw/zinc/93/27/30/459932730.db2.gz UFXPABHHXZHPGP-CXAGYDPISA-N 0 0 328.368 3.064 10 5 EGBERN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598565288 459939234 /nfs/dbraw/zinc/93/92/34/459939234.db2.gz PXSORZCBBBPYHY-CLAHSXSESA-N 0 0 348.733 3.133 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1F)[C@@H](C)O ZINC000593660039 459942841 /nfs/dbraw/zinc/94/28/41/459942841.db2.gz YXALXXPMWLGFRP-XIKOKIGWSA-N 0 0 348.374 3.344 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC1(F)F ZINC000588362274 459951471 /nfs/dbraw/zinc/95/14/71/459951471.db2.gz VIUXFBUSZVVNHY-CQSZACIVSA-N 0 0 341.358 3.405 10 5 EGBERN C[C@@H]1c2ccccc2OCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618286832 459957096 /nfs/dbraw/zinc/95/70/96/459957096.db2.gz NFQPNOOPGBFBGS-GFCCVEGCSA-N 0 0 338.367 3.427 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](C4CCCCC4)C3)nc2c1 ZINC000618305592 459963222 /nfs/dbraw/zinc/96/32/22/459963222.db2.gz COVBOYOOZQXDHN-QGZVFWFLSA-N 0 0 344.415 3.252 10 5 EGBERN CO[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000597477349 459967596 /nfs/dbraw/zinc/96/75/96/459967596.db2.gz IUDBEKAPUOMSMK-HNNXBMFYSA-N 0 0 340.807 3.112 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000593754906 459975052 /nfs/dbraw/zinc/97/50/52/459975052.db2.gz SCTNFSRCALLJPM-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598651935 459979121 /nfs/dbraw/zinc/97/91/21/459979121.db2.gz AOAMRZQIPVYWFO-UHFFFAOYSA-N 0 0 344.371 3.279 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC1(F)F ZINC000588788211 459983271 /nfs/dbraw/zinc/98/32/71/459983271.db2.gz LSLWJBMAPYUICS-JSGCOSHPSA-N 0 0 326.343 3.468 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000588814913 459985891 /nfs/dbraw/zinc/98/58/91/459985891.db2.gz BIOPKMWIFZUZEA-LBPRGKRZSA-N 0 0 346.391 3.112 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000609575791 459985923 /nfs/dbraw/zinc/98/59/23/459985923.db2.gz UZJAMNKDAGOXMK-XJKCOSOUSA-N 0 0 332.400 3.468 10 5 EGBERN CCOc1ccc(Nc2ccncc2[N+](=O)[O-])cc1Br ZINC000588825806 459986878 /nfs/dbraw/zinc/98/68/78/459986878.db2.gz MEWOZWCTPPPHKP-UHFFFAOYSA-N 0 0 338.161 3.317 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593816808 459994060 /nfs/dbraw/zinc/99/40/60/459994060.db2.gz AUCJCHWLIFKPOB-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN CCC(C)(C)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588906976 460002313 /nfs/dbraw/zinc/00/23/13/460002313.db2.gz KFEHHPUOTUQKCL-UHFFFAOYSA-N 0 0 332.404 3.449 10 5 EGBERN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000609652040 460002462 /nfs/dbraw/zinc/00/24/62/460002462.db2.gz QGCVEAPYBUWVHY-ZDUSSCGKSA-N 0 0 343.383 3.151 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609676068 460007523 /nfs/dbraw/zinc/00/75/23/460007523.db2.gz NSNYUIUUPWYQJK-OLZOCXBDSA-N 0 0 326.418 3.090 10 5 EGBERN C[C@H](C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000597615070 460009738 /nfs/dbraw/zinc/00/97/38/460009738.db2.gz AKTRMEZNQIVRNP-RBOXIYTFSA-N 0 0 343.358 3.152 10 5 EGBERN COc1ccc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000598733074 460011236 /nfs/dbraw/zinc/01/12/36/460011236.db2.gz QVSVHJKAQDLOGF-UHFFFAOYSA-N 0 0 347.396 3.260 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCc2ccccc2N1 ZINC000593916270 460016955 /nfs/dbraw/zinc/01/69/55/460016955.db2.gz OVWDVPQUQJWFBI-INIZCTEOSA-N 0 0 339.395 3.071 10 5 EGBERN CCOC(=O)[C@@]1(NCc2csc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000609846586 460027469 /nfs/dbraw/zinc/02/74/69/460027469.db2.gz NZFHPMPDYLNVKT-QGZVFWFLSA-N 0 0 346.408 3.151 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000597693758 460030971 /nfs/dbraw/zinc/03/09/71/460030971.db2.gz ZNYCLUIPCJSGSQ-CQSZACIVSA-N 0 0 343.358 3.078 10 5 EGBERN COc1c(C(=O)N2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000597695537 460031237 /nfs/dbraw/zinc/03/12/37/460031237.db2.gz TZNKEBVJCJGPDO-ZDUSSCGKSA-N 0 0 341.367 3.018 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(CC2CC2)C1 ZINC000598780380 460032224 /nfs/dbraw/zinc/03/22/24/460032224.db2.gz CTKYXFOFQMUUFV-UHFFFAOYSA-N 0 0 328.290 3.486 10 5 EGBERN CC(C)(C)n1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000593982373 460039646 /nfs/dbraw/zinc/03/96/46/460039646.db2.gz GXRWNOHWUQPOTQ-UHFFFAOYSA-N 0 0 344.415 3.299 10 5 EGBERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000597727543 460040758 /nfs/dbraw/zinc/04/07/58/460040758.db2.gz MQTSYEGBPULJAK-QGZVFWFLSA-N 0 0 338.363 3.391 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@@H]2C[C@H]2C)[nH][nH]1 ZINC000597796395 460064195 /nfs/dbraw/zinc/06/41/95/460064195.db2.gz PZLNIAWYYUJCRY-GMSGAONNSA-N 0 0 334.763 3.077 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594053970 460075878 /nfs/dbraw/zinc/07/58/78/460075878.db2.gz FUBIBPVTJAUURA-HOTGVXAUSA-N 0 0 349.387 3.073 10 5 EGBERN CCCc1nccnc1NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000598875107 460080052 /nfs/dbraw/zinc/08/00/52/460080052.db2.gz HUZLSNUXUOSCEX-UHFFFAOYSA-N 0 0 329.360 3.021 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC2(CC2(F)F)C1 ZINC000594063873 460082304 /nfs/dbraw/zinc/08/23/04/460082304.db2.gz AWGDEKGVCHQOBV-UHFFFAOYSA-N 0 0 349.240 3.069 10 5 EGBERN COC1CC(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000597862197 460083417 /nfs/dbraw/zinc/08/34/17/460083417.db2.gz RCYUYOHDODJSJR-DCBWTQNWSA-N 0 0 338.429 3.007 10 5 EGBERN C[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000598884158 460083954 /nfs/dbraw/zinc/08/39/54/460083954.db2.gz UGSILBRWVUWLJE-CYBMUJFWSA-N 0 0 332.400 3.327 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCc2cccnc21 ZINC000594068074 460084695 /nfs/dbraw/zinc/08/46/95/460084695.db2.gz GGZXNOHHPKEFCL-UHFFFAOYSA-N 0 0 329.381 3.061 10 5 EGBERN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597865352 460085777 /nfs/dbraw/zinc/08/57/77/460085777.db2.gz RWRQNTACDUQRQJ-OLZOCXBDSA-N 0 0 345.424 3.390 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598904745 460089176 /nfs/dbraw/zinc/08/91/76/460089176.db2.gz FDBSMADRQWHYMO-UHFFFAOYSA-N 0 0 338.791 3.276 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598945298 460097145 /nfs/dbraw/zinc/09/71/45/460097145.db2.gz ABTKYJIOIVXPSI-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2cccnc2)c1 ZINC000589518502 460098645 /nfs/dbraw/zinc/09/86/45/460098645.db2.gz RVXLNRRJRUCMTK-INIZCTEOSA-N 0 0 341.367 3.114 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCc2cccnc21 ZINC000598950367 460098721 /nfs/dbraw/zinc/09/87/21/460098721.db2.gz KGMSDZMMGAJVNV-CYBMUJFWSA-N 0 0 345.786 3.032 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3cc(C)ccc3C2)c1 ZINC000589513914 460099425 /nfs/dbraw/zinc/09/94/25/460099425.db2.gz QNBFMJMKSBBLBJ-UHFFFAOYSA-N 0 0 340.379 3.248 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000602760249 460110552 /nfs/dbraw/zinc/11/05/52/460110552.db2.gz ZBNSUOPESMVHAK-QIXNEVBVSA-N 0 0 349.390 3.493 10 5 EGBERN COc1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000598994947 460121232 /nfs/dbraw/zinc/12/12/32/460121232.db2.gz KXPYFIHYQSLUCC-NSHDSACASA-N 0 0 332.356 3.168 10 5 EGBERN CCO[C@@]1(C)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598996604 460121366 /nfs/dbraw/zinc/12/13/66/460121366.db2.gz LMIRXSWYICAUEF-ZBFHGGJFSA-N 0 0 333.413 3.375 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccccn1 ZINC000594141436 460124348 /nfs/dbraw/zinc/12/43/48/460124348.db2.gz OJDJBZJKMNHTNA-NSHDSACASA-N 0 0 333.775 3.313 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000594142653 460124755 /nfs/dbraw/zinc/12/47/55/460124755.db2.gz YSLFPSSHOVDONM-LLVKDONJSA-N 0 0 340.445 3.498 10 5 EGBERN CCCN(CC1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589680902 460125916 /nfs/dbraw/zinc/12/59/16/460125916.db2.gz OMZXODZQBKNGJQ-UHFFFAOYSA-N 0 0 344.415 3.450 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164252 460135178 /nfs/dbraw/zinc/13/51/78/460135178.db2.gz HNXQPKRLYBTGTQ-PWSUYJOCSA-N 0 0 346.305 3.133 10 5 EGBERN O=[N+]([O-])c1c(NC2CCN(CC(F)F)CC2)ccc2cnccc21 ZINC000599037334 460135752 /nfs/dbraw/zinc/13/57/52/460135752.db2.gz YRFCMZYOLAHOBO-UHFFFAOYSA-N 0 0 336.342 3.284 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594185354 460139758 /nfs/dbraw/zinc/13/97/58/460139758.db2.gz HOFUEJWVNINELT-YOEHRIQHSA-N 0 0 347.415 3.247 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202432 460148290 /nfs/dbraw/zinc/14/82/90/460148290.db2.gz HKXHYKTWCMLGTN-LBPRGKRZSA-N 0 0 338.791 3.470 10 5 EGBERN CCCCN(C)C(=O)CSc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599068728 460150825 /nfs/dbraw/zinc/15/08/25/460150825.db2.gz OQGNOWJKJKCAGB-UHFFFAOYSA-N 0 0 333.413 3.494 10 5 EGBERN CC(C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccnn1C ZINC000589865137 460153213 /nfs/dbraw/zinc/15/32/13/460153213.db2.gz YKONEULTIRJIBI-AWEZNQCLSA-N 0 0 339.399 3.150 10 5 EGBERN CCOc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000610446166 460153640 /nfs/dbraw/zinc/15/36/40/460153640.db2.gz PFZBXACTXFYMCD-UHFFFAOYSA-N 0 0 326.312 3.122 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598062787 460157215 /nfs/dbraw/zinc/15/72/15/460157215.db2.gz VKRMBQXTKMNSSI-UHFFFAOYSA-N 0 0 344.367 3.230 10 5 EGBERN COC(=O)c1c(Cl)c(NCC[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000599117170 460165036 /nfs/dbraw/zinc/16/50/36/460165036.db2.gz OOTPJMSJKFVLRE-JTQLQIEISA-N 0 0 342.779 3.263 10 5 EGBERN Cc1cc(NC[C@H](n2cccn2)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000599119486 460166170 /nfs/dbraw/zinc/16/61/70/460166170.db2.gz YSVDMOZTZZJLSE-LBPRGKRZSA-N 0 0 332.257 3.454 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594242236 460167578 /nfs/dbraw/zinc/16/75/78/460167578.db2.gz NIXBKWFRLGSBEV-ZBFHGGJFSA-N 0 0 335.404 3.050 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000599126651 460168589 /nfs/dbraw/zinc/16/85/89/460168589.db2.gz QGIMXFADVHNPHQ-UHFFFAOYSA-N 0 0 342.399 3.254 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CCCN1CC(F)F ZINC000599133978 460170111 /nfs/dbraw/zinc/17/01/11/460170111.db2.gz OLLLUWDWJVILEB-LBPRGKRZSA-N 0 0 336.342 3.284 10 5 EGBERN CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000610513961 460171626 /nfs/dbraw/zinc/17/16/26/460171626.db2.gz ZPCRSNUMLJPIMT-LLVKDONJSA-N 0 0 329.356 3.067 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000610513962 460172007 /nfs/dbraw/zinc/17/20/07/460172007.db2.gz ZPCRSNUMLJPIMT-NSHDSACASA-N 0 0 329.356 3.067 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598100102 460173945 /nfs/dbraw/zinc/17/39/45/460173945.db2.gz ILOXCFXZQZWDRT-HXPMCKFVSA-N 0 0 349.390 3.463 10 5 EGBERN CCO[C@@H]1CCCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000610531600 460178123 /nfs/dbraw/zinc/17/81/23/460178123.db2.gz JGKDEQZWYHWDCJ-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594280938 460179314 /nfs/dbraw/zinc/17/93/14/460179314.db2.gz QLVQEAAWPSLKCE-IRXDYDNUSA-N 0 0 349.431 3.126 10 5 EGBERN Cc1c(Br)c(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ncc1[N+](=O)[O-] ZINC000599163339 460182113 /nfs/dbraw/zinc/18/21/13/460182113.db2.gz GLHBCMNJESQAIC-CIPNSKCISA-N 0 0 344.209 3.285 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)cc1C(F)(F)F ZINC000599174508 460188184 /nfs/dbraw/zinc/18/81/84/460188184.db2.gz RLVXMPVNGPUFAQ-IINYFYTJSA-N 0 0 330.306 3.212 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CO[C@@H](C4CC4)C3)n2)cc1 ZINC000599182274 460191568 /nfs/dbraw/zinc/19/15/68/460191568.db2.gz XOHUAVLQCBXHHG-IUODEOHRSA-N 0 0 331.397 3.120 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CC[C@H](c3ccc(O)cc3)C1)CCN2 ZINC000599191206 460194962 /nfs/dbraw/zinc/19/49/62/460194962.db2.gz JECGUSZJINJOOK-ZDUSSCGKSA-N 0 0 325.368 3.262 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC(Cc3cccs3)C2)s1 ZINC000599196673 460196469 /nfs/dbraw/zinc/19/64/69/460196469.db2.gz QJVLHEZBPVVASC-UHFFFAOYSA-N 0 0 332.410 3.340 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](OC2CCC2)C1 ZINC000594388526 460201882 /nfs/dbraw/zinc/20/18/82/460201882.db2.gz LNUNSAHUAHJPET-CQSZACIVSA-N 0 0 343.383 3.250 10 5 EGBERN COCc1csc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000598206135 460203484 /nfs/dbraw/zinc/20/34/84/460203484.db2.gz BRFKVCYLFNRGMO-UHFFFAOYSA-N 0 0 326.399 3.103 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598206779 460204150 /nfs/dbraw/zinc/20/41/50/460204150.db2.gz HAUPOXVLCHUDAS-SCVCMEIPSA-N 0 0 340.326 3.362 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000598214289 460206315 /nfs/dbraw/zinc/20/63/15/460206315.db2.gz SQPYATDWSLFLPF-ONGXEEELSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1CC1CCCC1 ZINC000594416159 460211729 /nfs/dbraw/zinc/21/17/29/460211729.db2.gz CJSZUYDVCHMTOS-HNNXBMFYSA-N 0 0 334.420 3.061 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594418993 460212916 /nfs/dbraw/zinc/21/29/16/460212916.db2.gz REZPYGKFZVWYTM-CYBMUJFWSA-N 0 0 343.383 3.298 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C=CCCC3)n1 ZINC000598227416 460214463 /nfs/dbraw/zinc/21/44/63/460214463.db2.gz QXOMKOPBVNKXBF-UHFFFAOYSA-N 0 0 326.356 3.413 10 5 EGBERN Cc1ccc(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000598233886 460217170 /nfs/dbraw/zinc/21/71/70/460217170.db2.gz CQVUTJLYRVZVRJ-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN O=[N+]([O-])c1nn(CCCc2c(F)cccc2F)cc1Br ZINC000594453948 460225592 /nfs/dbraw/zinc/22/55/92/460225592.db2.gz POHTZPXPIUAXEC-UHFFFAOYSA-N 0 0 346.131 3.465 10 5 EGBERN O=C(Nc1cccnc1Oc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610770437 460234403 /nfs/dbraw/zinc/23/44/03/460234403.db2.gz HZAWTRLNYVIALJ-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000610771939 460234535 /nfs/dbraw/zinc/23/45/35/460234535.db2.gz LKSPKXIGKGFWDJ-UHFFFAOYSA-N 0 0 344.346 3.372 10 5 EGBERN CCOC(=O)CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000610997526 460276030 /nfs/dbraw/zinc/27/60/30/460276030.db2.gz WCRXIMCWXHACPS-UHFFFAOYSA-N 0 0 326.418 3.212 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCc2ccccc2)c1 ZINC000611032250 460280739 /nfs/dbraw/zinc/28/07/39/460280739.db2.gz VBSJBAFYIQDLSY-UHFFFAOYSA-N 0 0 348.424 3.037 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCOC(C)(C)C ZINC000615204744 460292732 /nfs/dbraw/zinc/29/27/32/460292732.db2.gz CUBKKISTQAEWKP-UHFFFAOYSA-N 0 0 328.796 3.444 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCO[C@H](CCF)C2)c1 ZINC000599636147 460293703 /nfs/dbraw/zinc/29/37/03/460293703.db2.gz XFSYPQRPKQPMOQ-GFCCVEGCSA-N 0 0 336.285 3.174 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000599645013 460296737 /nfs/dbraw/zinc/29/67/37/460296737.db2.gz ZEMNHNYDTXTLQD-SFHVURJKSA-N 0 0 328.368 3.081 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611339189 460340624 /nfs/dbraw/zinc/34/06/24/460340624.db2.gz RABFVTRDWRBULN-VXGBXAGGSA-N 0 0 325.796 3.286 10 5 EGBERN CCC[C@@H](CCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832010 460343773 /nfs/dbraw/zinc/34/37/73/460343773.db2.gz RGUZCNBNKQGKOI-LBPRGKRZSA-N 0 0 346.387 3.063 10 5 EGBERN COC(C)(C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830988 460343922 /nfs/dbraw/zinc/34/39/22/460343922.db2.gz HVWAEIGBTRWVJK-NSHDSACASA-N 0 0 346.387 3.468 10 5 EGBERN CCC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOCC1 ZINC000599832659 460343942 /nfs/dbraw/zinc/34/39/42/460343942.db2.gz HPVNWUKAVOIGJL-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN CCC(O)(CC)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834085 460344586 /nfs/dbraw/zinc/34/45/86/460344586.db2.gz FNNHXUGQSTYBDM-UHFFFAOYSA-N 0 0 346.387 3.158 10 5 EGBERN CCC(CC)(CCO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834789 460344819 /nfs/dbraw/zinc/34/48/19/460344819.db2.gz HLXMTNFEMWIDKV-UHFFFAOYSA-N 0 0 346.387 3.206 10 5 EGBERN COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000611371662 460347620 /nfs/dbraw/zinc/34/76/20/460347620.db2.gz XMKDSFTUAOVPSM-BDJLRTHQSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1ccc(C(=O)C2CCN(c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000603932131 460360786 /nfs/dbraw/zinc/36/07/86/460360786.db2.gz LJWYKTVYOAJKME-UHFFFAOYSA-N 0 0 325.368 3.398 10 5 EGBERN CC1(F)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000619500653 460370379 /nfs/dbraw/zinc/37/03/79/460370379.db2.gz UJIIFEPRJQFZMS-UHFFFAOYSA-N 0 0 329.200 3.192 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@H](F)C1 ZINC000611501369 460378992 /nfs/dbraw/zinc/37/89/92/460378992.db2.gz BEDISWCRVMGCHE-UHIISALHSA-N 0 0 334.351 3.386 10 5 EGBERN C[C@@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000619590185 460392224 /nfs/dbraw/zinc/39/22/24/460392224.db2.gz NQPXRPALNLHIHE-YPMHNXCESA-N 0 0 331.397 3.258 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccncc1 ZINC000619639013 460400614 /nfs/dbraw/zinc/40/06/14/460400614.db2.gz YPQDNEPTWRSYIY-GFCCVEGCSA-N 0 0 344.371 3.314 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000619638924 460400619 /nfs/dbraw/zinc/40/06/19/460400619.db2.gz NDYDXIBBAAJPMP-PWSUYJOCSA-N 0 0 325.340 3.205 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 ZINC000619652355 460403727 /nfs/dbraw/zinc/40/37/27/460403727.db2.gz YZWIVURMWNKISI-LSDHHAIUSA-N 0 0 331.347 3.058 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000611587293 460411416 /nfs/dbraw/zinc/41/14/16/460411416.db2.gz VRFLHIDCHUTRTD-LLVKDONJSA-N 0 0 348.733 3.021 10 5 EGBERN Cc1nn(CCC(=O)NCC[C@H]2CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000600161363 460413422 /nfs/dbraw/zinc/41/34/22/460413422.db2.gz XNXKRLVLIIRRRL-CQSZACIVSA-N 0 0 336.436 3.131 10 5 EGBERN COC(=O)C(C)(C)[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617684 460415340 /nfs/dbraw/zinc/41/53/40/460415340.db2.gz UXDATILBIBZHRB-ZDUSSCGKSA-N 0 0 335.404 3.022 10 5 EGBERN CCOc1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000600167431 460417895 /nfs/dbraw/zinc/41/78/95/460417895.db2.gz FRVCPSPWROEIAU-UPJWGTAASA-N 0 0 348.399 3.168 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600171499 460419237 /nfs/dbraw/zinc/41/92/37/460419237.db2.gz WHACIDXVRVCEIH-UPJWGTAASA-N 0 0 325.368 3.309 10 5 EGBERN C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000611708765 460435591 /nfs/dbraw/zinc/43/55/91/460435591.db2.gz QQKXHSWEDZVWCL-JTQLQIEISA-N 0 0 344.321 3.454 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000619779408 460441902 /nfs/dbraw/zinc/44/19/02/460441902.db2.gz PULMEIXCSULNHN-QGZVFWFLSA-N 0 0 346.362 3.152 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000619805927 460446538 /nfs/dbraw/zinc/44/65/38/460446538.db2.gz WWRFRTAQGJHGDH-RISCZKNCSA-N 0 0 333.367 3.058 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3ccccc3C)C2)c1 ZINC000611758888 460452955 /nfs/dbraw/zinc/45/29/55/460452955.db2.gz OWZFGSPTQJHCLL-UHFFFAOYSA-N 0 0 340.379 3.369 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000611763046 460453926 /nfs/dbraw/zinc/45/39/26/460453926.db2.gz MINGRHCIEXTQKV-KGLIPLIRSA-N 0 0 348.399 3.024 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600267946 460461485 /nfs/dbraw/zinc/46/14/85/460461485.db2.gz KAXSVBRTIMGOPB-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc(Cl)cc2C(C)C)c1[N+](=O)[O-] ZINC000600369855 460486032 /nfs/dbraw/zinc/48/60/32/460486032.db2.gz YPCDKKSBCLDZRZ-UHFFFAOYSA-N 0 0 348.790 3.483 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC=CCC1 ZINC000600394790 460488552 /nfs/dbraw/zinc/48/85/52/460488552.db2.gz SCGVWROSNXTROT-CQSZACIVSA-N 0 0 330.384 3.420 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC=CCC2)cc1OC ZINC000600393330 460488797 /nfs/dbraw/zinc/48/87/97/460488797.db2.gz JAZCDQJVLOPGMP-ZDUSSCGKSA-N 0 0 348.399 3.478 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C1CCCCC1 ZINC000600414481 460491983 /nfs/dbraw/zinc/49/19/83/460491983.db2.gz MIDKNDHQFSLZAP-MRXNPFEDSA-N 0 0 348.399 3.003 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC(=O)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000600485956 460504074 /nfs/dbraw/zinc/50/40/74/460504074.db2.gz FLJGEAXXKNFEBA-UHFFFAOYSA-N 0 0 348.399 3.261 10 5 EGBERN COc1cccc2c1CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000600515273 460509876 /nfs/dbraw/zinc/50/98/76/460509876.db2.gz QDKHBZZAPFWAMH-GFCCVEGCSA-N 0 0 326.352 3.249 10 5 EGBERN CC1(C)C[C@H](SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CO1 ZINC000600569213 460527916 /nfs/dbraw/zinc/52/79/16/460527916.db2.gz JXHPLYSNZSJWID-LBPRGKRZSA-N 0 0 335.385 3.446 10 5 EGBERN Cc1cc(Nc2ncnc3ccc([N+](=O)[O-])cc32)nn1[C@@H](C)C1CC1 ZINC000612094703 460536997 /nfs/dbraw/zinc/53/69/97/460536997.db2.gz RTFLFVNBZPNZOY-NSHDSACASA-N 0 0 338.371 3.179 10 5 EGBERN CCOC[C@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601173123 460740152 /nfs/dbraw/zinc/74/01/52/460740152.db2.gz RURWIGOARVTOQG-HNNXBMFYSA-N 0 0 346.427 3.292 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC(c3ncco3)CC1)CCCC2 ZINC000601183591 460742038 /nfs/dbraw/zinc/74/20/38/460742038.db2.gz GXPAQKCDHVWGJI-UHFFFAOYSA-N 0 0 328.372 3.241 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1cccc2c1OCCC2 ZINC000601181543 460742153 /nfs/dbraw/zinc/74/21/53/460742153.db2.gz MMEQBWPECKKIRE-UHFFFAOYSA-N 0 0 343.261 3.464 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000601187689 460744563 /nfs/dbraw/zinc/74/45/63/460744563.db2.gz VOCMKPZBXGSQCI-VHSXEESVSA-N 0 0 348.325 3.107 10 5 EGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CCCCO1 ZINC000601190176 460746482 /nfs/dbraw/zinc/74/64/82/460746482.db2.gz RUWHRMGQQOZKHZ-BDAKNGLRSA-N 0 0 336.314 3.107 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1nc(-c2ccccn2)cs1 ZINC000601192451 460746370 /nfs/dbraw/zinc/74/63/70/460746370.db2.gz WFQWHVPSWLWCIW-UHFFFAOYSA-N 0 0 344.400 3.250 10 5 EGBERN Cc1ncc([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601228637 460757130 /nfs/dbraw/zinc/75/71/30/460757130.db2.gz RACSJMNKCDBNHB-RXMQYKEDSA-N 0 0 335.311 3.285 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000601228250 460757729 /nfs/dbraw/zinc/75/77/29/460757729.db2.gz YUDZVCOWLUIFNT-ZDUSSCGKSA-N 0 0 326.356 3.320 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000601252332 460766410 /nfs/dbraw/zinc/76/64/10/460766410.db2.gz ICZJODUHSFJODZ-QRTARXTBSA-N 0 0 327.384 3.273 10 5 EGBERN CC[C@H](NC(=O)c1cncc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000601281276 460774640 /nfs/dbraw/zinc/77/46/40/460774640.db2.gz MMTUITFUIRFKHR-HNNXBMFYSA-N 0 0 329.356 3.188 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)[nH]1 ZINC000612931966 460775181 /nfs/dbraw/zinc/77/51/81/460775181.db2.gz AYTBRCIWXYRRQY-UHFFFAOYSA-N 0 0 345.315 3.313 10 5 EGBERN Cn1ccnc1[C@@H](N[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289931 460778283 /nfs/dbraw/zinc/77/82/83/460778283.db2.gz WSBMMDRWKOEARA-HOTGVXAUSA-N 0 0 326.400 3.340 10 5 EGBERN Cc1cc(-c2noc([C@@H]3C[C@H]3C3CCOCC3)n2)cc([N+](=O)[O-])c1 ZINC000601380219 460799433 /nfs/dbraw/zinc/79/94/33/460799433.db2.gz KCBJRUNQTVSJCB-LSDHHAIUSA-N 0 0 329.356 3.483 10 5 EGBERN Cc1c(-c2noc([C@@H]3C[C@H]3C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000601380024 460799924 /nfs/dbraw/zinc/79/99/24/460799924.db2.gz HYTGUWLHEYCMQT-UONOGXRCSA-N 0 0 329.356 3.483 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601409905 460806951 /nfs/dbraw/zinc/80/69/51/460806951.db2.gz YQWCUYXJMYNYNB-UHFFFAOYSA-N 0 0 345.786 3.381 10 5 EGBERN C[C@@H](CC(F)(F)F)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601451233 460814192 /nfs/dbraw/zinc/81/41/92/460814192.db2.gz WFPUUHCJLWUIMY-JTQLQIEISA-N 0 0 330.306 3.474 10 5 EGBERN CCc1ccnc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601548795 460829774 /nfs/dbraw/zinc/82/97/74/460829774.db2.gz RVBKGUJPTRIXPM-UHFFFAOYSA-N 0 0 339.395 3.290 10 5 EGBERN Cc1cc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)ccn1 ZINC000601613202 460846750 /nfs/dbraw/zinc/84/67/50/460846750.db2.gz OTDNQAXQXKGIDT-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN O=C(N1Cc2ccc(O)cc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601678221 460866290 /nfs/dbraw/zinc/86/62/90/460866290.db2.gz ATUCGGCRTAKEHK-UHFFFAOYSA-N 0 0 338.363 3.265 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000613235026 460878358 /nfs/dbraw/zinc/87/83/58/460878358.db2.gz OXFGMBOIAJACAX-ZDUSSCGKSA-N 0 0 338.354 3.421 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000613296347 460899471 /nfs/dbraw/zinc/89/94/71/460899471.db2.gz VNIJZLYKMCBBFY-NSHDSACASA-N 0 0 343.330 3.447 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601810838 460906913 /nfs/dbraw/zinc/90/69/13/460906913.db2.gz FSMWBBBSBBLKSV-AWEZNQCLSA-N 0 0 342.342 3.214 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn2c1CCCC2 ZINC000601826113 460913602 /nfs/dbraw/zinc/91/36/02/460913602.db2.gz SQPLDZKZBHYUCN-UHFFFAOYSA-N 0 0 346.412 3.492 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(SC)CC1 ZINC000601864173 460929200 /nfs/dbraw/zinc/92/92/00/460929200.db2.gz KGFTZZDSAYYSFM-UHFFFAOYSA-N 0 0 347.444 3.205 10 5 EGBERN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000617752358 460966769 /nfs/dbraw/zinc/96/67/69/460966769.db2.gz VHWBMAZZHWTXOE-UONOGXRCSA-N 0 0 340.379 3.015 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](CC(F)(F)F)C3)c2c1 ZINC000617972959 461047065 /nfs/dbraw/zinc/04/70/65/461047065.db2.gz UXYPZVJQVQMXBV-SECBINFHSA-N 0 0 326.278 3.317 10 5 EGBERN Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)n2)cc1 ZINC000618145725 461098033 /nfs/dbraw/zinc/09/80/33/461098033.db2.gz SDDXVBCROZLKIJ-UHFFFAOYSA-N 0 0 325.328 3.075 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@]12CCC[C@H]1OCC2 ZINC000601298119 468815952 /nfs/dbraw/zinc/81/59/52/468815952.db2.gz GTCGFAVTTWSUQL-PBHICJAKSA-N 0 0 327.340 3.041 10 5 EGBERN CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000266093901 534339165 /nfs/dbraw/zinc/33/91/65/534339165.db2.gz ZSDGFZNEEMPWLF-UHFFFAOYSA-N 0 0 330.359 3.370 10 5 EGBERN O=C1O[C@H](COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC12CCC2 ZINC000187912364 534821953 /nfs/dbraw/zinc/82/19/53/534821953.db2.gz UTCPBEPLHMDFNT-JTQLQIEISA-N 0 0 345.273 3.478 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1c(C)nn(C)c1Cl ZINC000184026711 527526644 /nfs/dbraw/zinc/52/66/44/527526644.db2.gz TUYCPULKARSNAN-CSKARUKUSA-N 0 0 349.774 3.437 10 5 EGBERN CCC1(CO)CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000183600552 527756755 /nfs/dbraw/zinc/75/67/55/527756755.db2.gz AMKFQBQARKCQSD-WYMLVPIESA-N 0 0 332.400 3.009 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000131962359 528604664 /nfs/dbraw/zinc/60/46/64/528604664.db2.gz GEBPPHRZINNLIR-UHFFFAOYSA-N 0 0 341.339 3.034 10 5 EGBERN CC[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000338146403 535397911 /nfs/dbraw/zinc/39/79/11/535397911.db2.gz OEUYGQLIHQWTMS-MRXNPFEDSA-N 0 0 345.399 3.394 10 5 EGBERN CC[C@@H](NC(=O)c1ccnc2ccncc21)c1cccc([N+](=O)[O-])c1 ZINC000187169425 535801299 /nfs/dbraw/zinc/80/12/99/535801299.db2.gz OHPQMYRELROBFI-MRXNPFEDSA-N 0 0 336.351 3.419 10 5 EGBERN CCc1cnccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351617009 536079352 /nfs/dbraw/zinc/07/93/52/536079352.db2.gz VOCQUCWJOYWHOD-UHFFFAOYSA-N 0 0 333.775 3.178 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000191136901 536501423 /nfs/dbraw/zinc/50/14/23/536501423.db2.gz MPFGFULJLPMCBX-JTQLQIEISA-N 0 0 335.385 3.168 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187098142 536950545 /nfs/dbraw/zinc/95/05/45/536950545.db2.gz PFLVVIUFUMRAGG-AWEZNQCLSA-N 0 0 347.396 3.346 10 5 EGBERN CCN(C(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1ccccc1 ZINC000728201696 574729121 /nfs/dbraw/zinc/72/91/21/574729121.db2.gz OICLGXXCBXIOLG-AWEZNQCLSA-N 0 0 339.395 3.399 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cc(F)ccc1F ZINC000728202239 574729378 /nfs/dbraw/zinc/72/93/78/574729378.db2.gz XPLVVHDYRJSIJC-SNVBAGLBSA-N 0 0 347.321 3.263 10 5 EGBERN COc1ccc(O[C@H](C)C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000728989511 574791796 /nfs/dbraw/zinc/79/17/96/574791796.db2.gz WSMJSUXAHLXHPT-LLVKDONJSA-N 0 0 349.314 3.253 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1coc(-c2cccs2)n1 ZINC000730014874 574903575 /nfs/dbraw/zinc/90/35/75/574903575.db2.gz KVFYJFQDKGVRIT-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN CCCCCC(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000730702493 575012462 /nfs/dbraw/zinc/01/24/62/575012462.db2.gz AKMYJXQORUSGNF-CQSZACIVSA-N 0 0 348.399 3.323 10 5 EGBERN Cc1ccccc1NC(=S)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731570490 575082688 /nfs/dbraw/zinc/08/26/88/575082688.db2.gz PSIOEAZBCYMHET-UHFFFAOYSA-N 0 0 331.397 3.269 10 5 EGBERN C[C@@H](COc1cccc(F)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000731780389 575206796 /nfs/dbraw/zinc/20/67/96/575206796.db2.gz IFRIZKVPQJHGNZ-LBPRGKRZSA-N 0 0 333.315 3.287 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000731993708 575229983 /nfs/dbraw/zinc/22/99/83/575229983.db2.gz JISOHXUVBBJEJQ-SJCJKPOMSA-N 0 0 344.342 3.336 10 5 EGBERN O=C(OCc1noc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000733106180 575309334 /nfs/dbraw/zinc/30/93/34/575309334.db2.gz HMXJVOOFUJSKDD-UHFFFAOYSA-N 0 0 343.270 3.141 10 5 EGBERN CN(C)c1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(Cl)n1 ZINC000735606943 575689014 /nfs/dbraw/zinc/68/90/14/575689014.db2.gz FCGUYFRUEHLSLU-UHFFFAOYSA-N 0 0 345.746 3.426 10 5 EGBERN CC[C@@H](C)C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000756331968 576072003 /nfs/dbraw/zinc/07/20/03/576072003.db2.gz XCBQBCINOQQENL-MRVPVSSYSA-N 0 0 344.161 3.129 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC2(C1)CCCCC2 ZINC000741975425 576739163 /nfs/dbraw/zinc/73/91/63/576739163.db2.gz NHHBPNDDICCNIW-UHFFFAOYSA-N 0 0 336.363 3.296 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000741991765 576739904 /nfs/dbraw/zinc/73/99/04/576739904.db2.gz FVVJOTHGTVTSHN-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cc1ccc(/C=C\S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000742646327 576792508 /nfs/dbraw/zinc/79/25/08/576792508.db2.gz GJEUPXAKGJEWNV-HJWRWDBZSA-N 0 0 337.328 3.422 10 5 EGBERN COc1cccc([C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000744327708 576825601 /nfs/dbraw/zinc/82/56/01/576825601.db2.gz HSWJDIZKTBUHPE-JTQLQIEISA-N 0 0 345.307 3.250 10 5 EGBERN O=C(NCCSCc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000745413500 576847703 /nfs/dbraw/zinc/84/77/03/576847703.db2.gz JMIGZPGNWMBNTA-UHFFFAOYSA-N 0 0 334.372 3.397 10 5 EGBERN C[C@@H](OC(=O)/C=C\C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000745551388 576849902 /nfs/dbraw/zinc/84/99/02/576849902.db2.gz MBBTXNAFXFFXIJ-WQAKUFEDSA-N 0 0 338.747 3.085 10 5 EGBERN Cc1c(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000154807156 1294070922 /nfs/dbraw/zinc/07/09/22/1294070922.db2.gz HSMJOCPMEBIDES-UHFFFAOYSA-N 0 0 329.312 3.017 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000155906070 1294118824 /nfs/dbraw/zinc/11/88/24/1294118824.db2.gz AMVKDNZSPPXDSK-UHFFFAOYSA-N 0 0 349.274 3.211 10 5 EGBERN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1cnn2ccccc12 ZINC000171737148 1294415951 /nfs/dbraw/zinc/41/59/51/1294415951.db2.gz MJHKMULWUQGBBH-VZUCSPMQSA-N 0 0 340.726 3.389 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000173323535 1294459573 /nfs/dbraw/zinc/45/95/73/1294459573.db2.gz TWGHWBLOPUVSQL-UHFFFAOYSA-N 0 0 331.353 3.379 10 5 EGBERN Cc1c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178327197 1294730769 /nfs/dbraw/zinc/73/07/69/1294730769.db2.gz JXZXVIUEVHLUCO-VXGBXAGGSA-N 0 0 333.344 3.074 10 5 EGBERN CC(C)(C)n1cccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c1=O ZINC000869976990 1295570878 /nfs/dbraw/zinc/57/08/78/1295570878.db2.gz CJCWHAYWNNCFMK-UHFFFAOYSA-N 0 0 348.330 3.008 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2ncc3n2CCCC3)cc1[N+](=O)[O-] ZINC000870234305 1295753209 /nfs/dbraw/zinc/75/32/09/1295753209.db2.gz YNMDIANRHFSCMK-LBPRGKRZSA-N 0 0 329.356 3.354 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000870652060 1296001857 /nfs/dbraw/zinc/00/18/57/1296001857.db2.gz YUGOBYGLXAFDOL-LBPRGKRZSA-N 0 0 348.733 3.053 10 5 EGBERN Cc1c(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000870818055 1296100291 /nfs/dbraw/zinc/10/02/91/1296100291.db2.gz JJJPAEXVEJWPHZ-MGCOHNPYSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000870828352 1296106027 /nfs/dbraw/zinc/10/60/27/1296106027.db2.gz PBUYOOGXQBTSGP-RKVXJDFWSA-N 0 0 347.293 3.017 10 5 EGBERN Cc1ccc(CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000870827719 1296106160 /nfs/dbraw/zinc/10/61/60/1296106160.db2.gz FIFJAAFXXHEIRC-UHFFFAOYSA-N 0 0 349.774 3.243 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](c1ccccc1)C1CC1 ZINC000870828144 1296106219 /nfs/dbraw/zinc/10/62/19/1296106219.db2.gz KZDDPUAAEPWQQE-BDVYOWHSSA-N 0 0 341.367 3.232 10 5 EGBERN CC(C)Oc1ccccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829232 1296106363 /nfs/dbraw/zinc/10/63/63/1296106363.db2.gz IVQDEDDPFFMLGS-UHFFFAOYSA-N 0 0 345.355 3.139 10 5 EGBERN C[C@H](Cc1ccccc1F)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829778 1296107527 /nfs/dbraw/zinc/10/75/27/1296107527.db2.gz QIKWKMVCFVAVOS-NUYPLMSZSA-N 0 0 347.346 3.056 10 5 EGBERN C/C(=C\C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(F)c1 ZINC000870830211 1296108081 /nfs/dbraw/zinc/10/80/81/1296108081.db2.gz WVLQRVXDHUPHHF-VZUCSPMQSA-N 0 0 345.330 3.281 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871287872 1296318416 /nfs/dbraw/zinc/31/84/16/1296318416.db2.gz YCLVXDOMEFPBLF-IAQYHMDHSA-N 0 0 338.791 3.183 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871298778 1296328430 /nfs/dbraw/zinc/32/84/30/1296328430.db2.gz PDWKUHCDUDVEQG-FZMZJTMJSA-N 0 0 338.791 3.183 10 5 EGBERN CNc1c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871327715 1296351517 /nfs/dbraw/zinc/35/15/17/1296351517.db2.gz AIRNVGWZXBGREM-CQSZACIVSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000871327672 1296352043 /nfs/dbraw/zinc/35/20/43/1296352043.db2.gz VGVZEKDGRQKNDZ-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871330172 1296354559 /nfs/dbraw/zinc/35/45/59/1296354559.db2.gz VWCXGJRTLZLIPE-SFHVURJKSA-N 0 0 346.427 3.478 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@H]2CC3(CCC3)CO2)c(F)c1F ZINC000871677223 1296476469 /nfs/dbraw/zinc/47/64/69/1296476469.db2.gz BTDLTBFBWROOAU-SSDOTTSWSA-N 0 0 335.253 3.489 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1CC2(CCC2)CO1 ZINC000871694265 1296483710 /nfs/dbraw/zinc/48/37/10/1296483710.db2.gz JDYBJHMAEUEERT-VIFPVBQESA-N 0 0 343.177 3.090 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871693448 1296483759 /nfs/dbraw/zinc/48/37/59/1296483759.db2.gz ADJVGZMVAWBGBY-UTLUCORTSA-N 0 0 343.177 3.089 10 5 EGBERN COc1ccc2c(c1)CC[C@H]2c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000871847997 1296565834 /nfs/dbraw/zinc/56/58/34/1296565834.db2.gz WHCLOSKIWBJJNI-CQSZACIVSA-N 0 0 331.372 3.144 10 5 EGBERN O=[N+]([O-])c1cccc(CNc2ccn(CCF)n2)c1Br ZINC000871862762 1296576551 /nfs/dbraw/zinc/57/65/51/1296576551.db2.gz VWGIPUJRFCZXRD-UHFFFAOYSA-N 0 0 343.156 3.135 10 5 EGBERN C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043645 1296691010 /nfs/dbraw/zinc/69/10/10/1296691010.db2.gz JPVIGRIPTNHAEQ-WFASDCNBSA-N 0 0 343.358 3.190 10 5 EGBERN CC(C)[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000872045033 1296694847 /nfs/dbraw/zinc/69/48/47/1296694847.db2.gz HTARVIADXUOGNO-LRDDRELGSA-N 0 0 337.395 3.032 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC000584907579 1298023881 /nfs/dbraw/zinc/02/38/81/1298023881.db2.gz PDARQCAYFZBNMO-LLVKDONJSA-N 0 0 326.324 3.122 10 5 EGBERN CCOC(=O)c1cc(C(=O)N2CC=CC23CCCC3)cc([N+](=O)[O-])c1 ZINC000585128725 1298034859 /nfs/dbraw/zinc/03/48/59/1298034859.db2.gz LUGGCEZHGYTEDP-UHFFFAOYSA-N 0 0 344.367 3.096 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000875054509 1298215914 /nfs/dbraw/zinc/21/59/14/1298215914.db2.gz VAAAKEYFGPJHPP-PBHICJAKSA-N 0 0 344.342 3.463 10 5 EGBERN CCOc1ccc(C(F)(F)F)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000876848723 1299032001 /nfs/dbraw/zinc/03/20/01/1299032001.db2.gz TYPWMBFWQQWVGQ-UHFFFAOYSA-N 0 0 344.293 3.358 10 5 EGBERN COc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000881580317 1301626354 /nfs/dbraw/zinc/62/63/54/1301626354.db2.gz JYUHKXKARLBQOD-LLVKDONJSA-N 0 0 328.315 3.159 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000882463245 1301981416 /nfs/dbraw/zinc/98/14/16/1301981416.db2.gz IRVPQKQBFTXQGA-XBVQOTNRSA-N 0 0 332.400 3.020 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000882552594 1302017266 /nfs/dbraw/zinc/01/72/66/1302017266.db2.gz GZEJMESBMQBWAQ-BYIUCRAPSA-N 0 0 330.384 3.216 10 5 EGBERN CC(=O)c1c(NCc2c(C3CCC3)cnn2C)cccc1[N+](=O)[O-] ZINC000882623619 1302037811 /nfs/dbraw/zinc/03/78/11/1302037811.db2.gz NSCHULCTEXQSIV-UHFFFAOYSA-N 0 0 328.372 3.411 10 5 EGBERN CC(=O)c1cc(NC[C@H]2CCC3(CCOCC3)CO2)ccc1[N+](=O)[O-] ZINC000882787250 1302104463 /nfs/dbraw/zinc/10/44/63/1302104463.db2.gz KAPOLMLMAHQBRA-OAHLLOKOSA-N 0 0 348.399 3.185 10 5 EGBERN O=[N+]([O-])c1c(N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)nc2sccn21 ZINC000884657537 1302940155 /nfs/dbraw/zinc/94/01/55/1302940155.db2.gz ABRSQYPIPYQWOJ-UFBFGSQYSA-N 0 0 346.334 3.473 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000884700048 1302955954 /nfs/dbraw/zinc/95/59/54/1302955954.db2.gz LVYAXXLORUGFOA-MCTKYDIJSA-N 0 0 348.399 3.182 10 5 EGBERN CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000885835032 1303256211 /nfs/dbraw/zinc/25/62/11/1303256211.db2.gz VKUNYMTZWODCJU-VNQPRFMTSA-N 0 0 346.427 3.408 10 5 EGBERN C/C(=C\C(=O)N1CCOC[C@@H]1CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000886467891 1303472003 /nfs/dbraw/zinc/47/20/03/1303472003.db2.gz MXEFMGVXVADUHW-RTGRKSDTSA-N 0 0 330.384 3.026 10 5 EGBERN CC(=O)N1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3F)cs2)C1 ZINC000887280785 1303730882 /nfs/dbraw/zinc/73/08/82/1303730882.db2.gz IKAKRIDGUNCMKR-JTQLQIEISA-N 0 0 335.360 3.193 10 5 EGBERN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000887401589 1303781888 /nfs/dbraw/zinc/78/18/88/1303781888.db2.gz ZFJLSTXTWOPSLK-UHOFOFEASA-N 0 0 325.368 3.013 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888819119 1304288279 /nfs/dbraw/zinc/28/82/79/1304288279.db2.gz FNIUJRXUJQJAFO-KXBFYZLASA-N 0 0 337.379 3.070 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888822109 1304290277 /nfs/dbraw/zinc/29/02/77/1304290277.db2.gz JUKLYACMYIXORG-LRDDRELGSA-N 0 0 329.381 3.203 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891811627 1305176004 /nfs/dbraw/zinc/17/60/04/1305176004.db2.gz YKJTWUAVWWBLMK-GOSISDBHSA-N 0 0 338.363 3.332 10 5 EGBERN C/C(=C/C(=O)N1CCC(=O)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000891827143 1305180215 /nfs/dbraw/zinc/18/02/15/1305180215.db2.gz IMONZRMJWKADJS-QBFSEMIESA-N 0 0 328.368 3.112 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000892647781 1305488219 /nfs/dbraw/zinc/48/82/19/1305488219.db2.gz HVYZDAHBBJZQGZ-NDBLMLTRSA-N 0 0 341.367 3.287 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c1C ZINC000893052298 1305680555 /nfs/dbraw/zinc/68/05/55/1305680555.db2.gz SEUVZEJVTWGGLC-GWCFXTLKSA-N 0 0 346.305 3.003 10 5 EGBERN CC(C)(CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)F ZINC000893306024 1305816256 /nfs/dbraw/zinc/81/62/56/1305816256.db2.gz YPOYUIVXOCBNRC-UHFFFAOYSA-N 0 0 331.319 3.110 10 5 EGBERN CC1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC(F)(F)C1 ZINC000893356035 1305848041 /nfs/dbraw/zinc/84/80/41/1305848041.db2.gz HTLXAPHTZIRREK-UHFFFAOYSA-N 0 0 349.337 3.495 10 5 EGBERN Cc1cnc2n1CC[C@H]2OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000893523764 1305949764 /nfs/dbraw/zinc/94/97/64/1305949764.db2.gz MSVXULRFMGRMGN-IINYFYTJSA-N 0 0 333.319 3.031 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893855707 1306100059 /nfs/dbraw/zinc/10/00/59/1306100059.db2.gz HCJDBLWAVMMCHF-DGCLKSJQSA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893861304 1306101794 /nfs/dbraw/zinc/10/17/94/1306101794.db2.gz ITYDHRIXUBJYJI-ZYHUDNBSSA-N 0 0 326.780 3.183 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1cnc(Cl)s1 ZINC000895156446 1309215587 /nfs/dbraw/zinc/21/55/87/1309215587.db2.gz YVXVTKIOWIOSIA-UHFFFAOYSA-N 0 0 327.793 3.393 10 5 EGBERN CC(=O)c1ccc(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000895594258 1309419771 /nfs/dbraw/zinc/41/97/71/1309419771.db2.gz MQVSFACPUBKNSA-RUCARUNLSA-N 0 0 340.379 3.302 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(C(F)(F)F)c1 ZINC000896077410 1309689340 /nfs/dbraw/zinc/68/93/40/1309689340.db2.gz BIGKQGZJYATGGK-NGZCFLSTSA-N 0 0 329.278 3.012 10 5 EGBERN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000896772867 1310007336 /nfs/dbraw/zinc/00/73/36/1310007336.db2.gz ISLOQNUIXQQAME-KNVOCYPGSA-N 0 0 349.145 3.044 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000897563748 1310382846 /nfs/dbraw/zinc/38/28/46/1310382846.db2.gz KWZWEAKYJKMBEA-GJZGRUSLSA-N 0 0 332.400 3.440 10 5 EGBERN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000898401866 1310715624 /nfs/dbraw/zinc/71/56/24/1310715624.db2.gz UIKHKELPXSWEOJ-SNVBAGLBSA-N 0 0 348.790 3.272 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898409648 1310721604 /nfs/dbraw/zinc/72/16/04/1310721604.db2.gz MDEVTEPDHQELMC-CQSZACIVSA-N 0 0 329.381 3.419 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccon3)CC2)c1C ZINC000898978983 1310897220 /nfs/dbraw/zinc/89/72/20/1310897220.db2.gz AHQBDURIUQTNPY-UHFFFAOYSA-N 0 0 329.356 3.219 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@H](C)O)c1C ZINC000898991391 1310900344 /nfs/dbraw/zinc/90/03/44/1310900344.db2.gz XROUSCHMHGCNLT-GUYCJALGSA-N 0 0 328.368 3.064 10 5 EGBERN C[C@@H](c1ccc(F)nc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929247639 1328548409 /nfs/dbraw/zinc/54/84/09/1328548409.db2.gz VHIXLSZCRQAVOP-ZDUSSCGKSA-N 0 0 330.363 3.012 10 5 EGBERN CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC000857571592 1328550791 /nfs/dbraw/zinc/55/07/91/1328550791.db2.gz JCCMDZMZAHTOSP-ZDUSSCGKSA-N 0 0 338.335 3.040 10 5 EGBERN COC(=O)C1(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000857577267 1328552477 /nfs/dbraw/zinc/55/24/77/1328552477.db2.gz XZYJXLWYTWUSHK-LBPRGKRZSA-N 0 0 347.367 3.323 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000929302274 1328561810 /nfs/dbraw/zinc/56/18/10/1328561810.db2.gz PALDYNXVUAGFQP-UHFFFAOYSA-N 0 0 344.415 3.056 10 5 EGBERN O=C(N[C@@H]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929375241 1328583161 /nfs/dbraw/zinc/58/31/61/1328583161.db2.gz UTUWJEOQGCJOTG-NZSAHSFTSA-N 0 0 336.391 3.372 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000857687945 1328584926 /nfs/dbraw/zinc/58/49/26/1328584926.db2.gz MLLPDCRPKKCNSG-UHFFFAOYSA-N 0 0 347.346 3.027 10 5 EGBERN C[C@@H]1CCc2nc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cn2C1 ZINC000857954889 1328640192 /nfs/dbraw/zinc/64/01/92/1328640192.db2.gz KKZVYHSEYPNJFI-GFCCVEGCSA-N 0 0 342.399 3.039 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000929597845 1328642310 /nfs/dbraw/zinc/64/23/10/1328642310.db2.gz RJTPYUZWZZYAPE-UHFFFAOYSA-N 0 0 342.277 3.066 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCc2cccnc21 ZINC000857970393 1328644352 /nfs/dbraw/zinc/64/43/52/1328644352.db2.gz PZSZRMPOKVGBQJ-SICOMBFOSA-N 0 0 337.379 3.239 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857968500 1328643456 /nfs/dbraw/zinc/64/34/56/1328643456.db2.gz LRPQUJLVQFQLCY-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN Cc1ccc(O[C@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)nc1 ZINC000858009640 1328655336 /nfs/dbraw/zinc/65/53/36/1328655336.db2.gz RMZIJFKXVWPZEP-NSHDSACASA-N 0 0 334.763 3.004 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2ncccn2)C1 ZINC000899532220 1317076299 /nfs/dbraw/zinc/07/62/99/1317076299.db2.gz HZPWKKNDWSSFQG-LLVKDONJSA-N 0 0 346.774 3.058 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC(F)(F)C1 ZINC000913385066 1319019932 /nfs/dbraw/zinc/01/99/32/1319019932.db2.gz NPXGBLGQFDYLLP-MRVPVSSYSA-N 0 0 336.697 3.439 10 5 EGBERN CO[C@@H](CC(C)C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386174 1319021089 /nfs/dbraw/zinc/02/10/89/1319021089.db2.gz PHRPPCCXRFCNOK-LBPRGKRZSA-N 0 0 332.759 3.065 10 5 EGBERN O=C(NCCOC1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858649434 1328817108 /nfs/dbraw/zinc/81/71/08/1328817108.db2.gz WNFNRSOREPKFKB-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000914238470 1319274324 /nfs/dbraw/zinc/27/43/24/1319274324.db2.gz FOQGNJTVZGUZFY-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN CCC[C@H](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000914361785 1319308918 /nfs/dbraw/zinc/30/89/18/1319308918.db2.gz SWMCRUVJAFIPHK-LBPRGKRZSA-N 0 0 336.388 3.312 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1c(C(F)(F)F)cnn1C ZINC000858658350 1328820704 /nfs/dbraw/zinc/82/07/04/1328820704.db2.gz LKHOPIVXABQXRT-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN COC(=O)/C=C/c1ccc(S[C@@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000858677381 1328827720 /nfs/dbraw/zinc/82/77/20/1328827720.db2.gz WLUPPFPINYDFDF-PZBABLGHSA-N 0 0 337.397 3.441 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1csc(Br)c1 ZINC000915381863 1319478108 /nfs/dbraw/zinc/47/81/08/1319478108.db2.gz IHQVUHCGZMMMAS-UHFFFAOYSA-N 0 0 345.174 3.114 10 5 EGBERN Nc1ccc(C(=O)OCCSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000916602004 1319682125 /nfs/dbraw/zinc/68/21/25/1319682125.db2.gz NTKRIEXSADCFHK-UHFFFAOYSA-N 0 0 336.344 3.265 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000917369723 1319796286 /nfs/dbraw/zinc/79/62/86/1319796286.db2.gz PZNDPWUKEBAXMN-UHFFFAOYSA-N 0 0 349.774 3.371 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000858775867 1328857627 /nfs/dbraw/zinc/85/76/27/1328857627.db2.gz IFYORGBFTZOUKT-AUCUDPNLSA-N 0 0 334.372 3.005 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C(F)(F)F)c1 ZINC000858793644 1328863146 /nfs/dbraw/zinc/86/31/46/1328863146.db2.gz KGNFSKBYSGSKMF-GEDWGEIESA-N 0 0 348.346 3.103 10 5 EGBERN CCO[C@@H](COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000859473848 1328995963 /nfs/dbraw/zinc/99/59/63/1328995963.db2.gz ZZGDSOSZXOQQMG-KRWDZBQOSA-N 0 0 348.399 3.167 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC=CC12CCCC2 ZINC000920163907 1322146523 /nfs/dbraw/zinc/14/65/23/1322146523.db2.gz WYODVZCPUKVHEX-UHFFFAOYSA-N 0 0 342.804 3.122 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3cnc(C4CC4)o3)n2)c1 ZINC000920417781 1322174912 /nfs/dbraw/zinc/17/49/12/1322174912.db2.gz SKNGDFDKEUEDIX-UHFFFAOYSA-N 0 0 345.746 3.420 10 5 EGBERN CCn1c(C)cc(C(=O)COC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1C ZINC000920901972 1322232812 /nfs/dbraw/zinc/23/28/12/1322232812.db2.gz BQYWABQORYPCMB-UHFFFAOYSA-N 0 0 344.367 3.381 10 5 EGBERN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000859546870 1329014047 /nfs/dbraw/zinc/01/40/47/1329014047.db2.gz RMCSDMRMACDBKN-UAGQMJEPSA-N 0 0 340.379 3.291 10 5 EGBERN Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1 ZINC000921267193 1322282324 /nfs/dbraw/zinc/28/23/24/1322282324.db2.gz MGPTWVAAIBIVPG-UHFFFAOYSA-N 0 0 333.319 3.072 10 5 EGBERN CC[C@H](NC(=O)NC[C@@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000921334299 1322295110 /nfs/dbraw/zinc/29/51/10/1322295110.db2.gz JMQARJRAGKXPTQ-DOTOQJQBSA-N 0 0 335.404 3.304 10 5 EGBERN CC(C)(C)n1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000930967054 1329017349 /nfs/dbraw/zinc/01/73/49/1329017349.db2.gz CUIALOHOAPNAGZ-UHFFFAOYSA-N 0 0 334.351 3.257 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000922132200 1322462392 /nfs/dbraw/zinc/46/23/92/1322462392.db2.gz UPDVPSGDMNUKLO-CABZTGNLSA-N 0 0 344.770 3.322 10 5 EGBERN Cc1cccc(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922142228 1322465034 /nfs/dbraw/zinc/46/50/34/1322465034.db2.gz YJXBEMKOSKWLOY-MWLCHTKSSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCC3(CCC3)O2)c1F ZINC000922219131 1322480582 /nfs/dbraw/zinc/48/05/82/1322480582.db2.gz IDGFIGPMTXWATD-SNVBAGLBSA-N 0 0 340.326 3.013 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000923419797 1322748340 /nfs/dbraw/zinc/74/83/40/1322748340.db2.gz COAFULPAIFSHBL-CQSZACIVSA-N 0 0 349.383 3.256 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)C1CCC1 ZINC000923594360 1322779589 /nfs/dbraw/zinc/77/95/89/1322779589.db2.gz JZMTYNDUXUGZNU-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000923643795 1322786767 /nfs/dbraw/zinc/78/67/67/1322786767.db2.gz MLSWXIDKBAYQBY-JLZZUVOBSA-N 0 0 347.415 3.303 10 5 EGBERN Cc1sc(C(=O)N(C)[C@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000923734660 1322801191 /nfs/dbraw/zinc/80/11/91/1322801191.db2.gz RPSFOQIRTYUTQA-CQSZACIVSA-N 0 0 334.397 3.079 10 5 EGBERN O=C(C[C@H]1CCC(F)(F)C1)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859677412 1329052570 /nfs/dbraw/zinc/05/25/70/1329052570.db2.gz MKEYTZYWFJOWKJ-SECBINFHSA-N 0 0 345.273 3.285 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@H](F)C(F)(F)F ZINC000923961206 1322857137 /nfs/dbraw/zinc/85/71/37/1322857137.db2.gz HXGDYOLWVSRVSF-JTQLQIEISA-N 0 0 327.205 3.110 10 5 EGBERN O=C(NCc1cc(C2CC2)no1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000923882524 1322835678 /nfs/dbraw/zinc/83/56/78/1322835678.db2.gz HPIWLYGFMXZRPD-UHFFFAOYSA-N 0 0 339.710 3.183 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000923911280 1322845211 /nfs/dbraw/zinc/84/52/11/1322845211.db2.gz RHLIENHRIRGWSF-QGZVFWFLSA-N 0 0 340.383 3.249 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000923913902 1322845726 /nfs/dbraw/zinc/84/57/26/1322845726.db2.gz VJQOANATCSXDAZ-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1c(Cc2noc(-c3ccnn3C3CCC3)n2)cccc1[N+](=O)[O-] ZINC000923950360 1322853492 /nfs/dbraw/zinc/85/34/92/1322853492.db2.gz KKPKSSLTTNTFBX-UHFFFAOYSA-N 0 0 339.355 3.466 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000923959274 1322855801 /nfs/dbraw/zinc/85/58/01/1322855801.db2.gz YGYPKFTVRYFKKO-XHDPSFHLSA-N 0 0 328.372 3.104 10 5 EGBERN Cc1nccnc1COC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923961391 1322856952 /nfs/dbraw/zinc/85/69/52/1322856952.db2.gz JCRBZKUJIWQFQZ-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])O[C@@H]1CCCCC1=O ZINC000923967161 1322859598 /nfs/dbraw/zinc/85/95/98/1322859598.db2.gz MDMFGNBZZXJURA-CQSZACIVSA-N 0 0 325.748 3.236 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924048024 1322884141 /nfs/dbraw/zinc/88/41/41/1322884141.db2.gz KUCNMVFHJSDDDW-CZUORRHYSA-N 0 0 347.415 3.304 10 5 EGBERN COCC1(c2noc(CCc3cc(F)ccc3[N+](=O)[O-])n2)CCCC1 ZINC000924089030 1322897512 /nfs/dbraw/zinc/89/75/12/1322897512.db2.gz VWWWTLSOUXLIBE-UHFFFAOYSA-N 0 0 349.362 3.360 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000924178840 1322925664 /nfs/dbraw/zinc/92/56/64/1322925664.db2.gz MWCIDXUQZNPEAD-SNVBAGLBSA-N 0 0 326.780 3.183 10 5 EGBERN CC1(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC=CC1 ZINC000924197018 1322931547 /nfs/dbraw/zinc/93/15/47/1322931547.db2.gz WWYHGAZTYXZHLH-UHFFFAOYSA-N 0 0 338.747 3.086 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2c1nccc2Cl ZINC000924953953 1323226866 /nfs/dbraw/zinc/22/68/66/1323226866.db2.gz GMMMFBIPHUYHCZ-AWEZNQCLSA-N 0 0 333.775 3.429 10 5 EGBERN CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810345 1329082757 /nfs/dbraw/zinc/08/27/57/1329082757.db2.gz MDCZVWRDPDNAED-NWDGAFQWSA-N 0 0 344.367 3.208 10 5 EGBERN CCN(CC)C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810390 1329083119 /nfs/dbraw/zinc/08/31/19/1329083119.db2.gz MXRUXCHHSWUBPL-LBPRGKRZSA-N 0 0 344.367 3.162 10 5 EGBERN CCCCNC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810432 1329083239 /nfs/dbraw/zinc/08/32/39/1329083239.db2.gz OAJAIOICJSJPTP-GFCCVEGCSA-N 0 0 344.367 3.210 10 5 EGBERN Cn1nccc1[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297686 1329088489 /nfs/dbraw/zinc/08/84/89/1329088489.db2.gz NLDXZHJDCVTAKO-GFCCVEGCSA-N 0 0 349.778 3.351 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CCC(CO)CC1 ZINC000860033462 1329131206 /nfs/dbraw/zinc/13/12/06/1329131206.db2.gz AESZKUFRTYGWIZ-UHFFFAOYSA-N 0 0 342.395 3.371 10 5 EGBERN CC1(C)C[C@@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000860070382 1329140349 /nfs/dbraw/zinc/14/03/49/1329140349.db2.gz USOSYDHQAIDPSB-LBPRGKRZSA-N 0 0 325.336 3.371 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC(OC(C)C)C1 ZINC000931625950 1329156173 /nfs/dbraw/zinc/15/61/73/1329156173.db2.gz LDVMRFKFWUMESL-UHFFFAOYSA-N 0 0 327.768 3.198 10 5 EGBERN COC(=O)C1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000860189282 1329170225 /nfs/dbraw/zinc/17/02/25/1329170225.db2.gz RVYWHMRGCSAWPV-GHMZBOCLSA-N 0 0 340.807 3.410 10 5 EGBERN C[C@@H](OC(=O)[C@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000860182777 1329169281 /nfs/dbraw/zinc/16/92/81/1329169281.db2.gz SHAHOIQQSDYVEH-XIKOKIGWSA-N 0 0 343.335 3.429 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925508226 1325183260 /nfs/dbraw/zinc/18/32/60/1325183260.db2.gz PEOVICACUJZWOK-GFCCVEGCSA-N 0 0 335.404 3.082 10 5 EGBERN CCO[C@@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000860648568 1329340192 /nfs/dbraw/zinc/34/01/92/1329340192.db2.gz RUYSUAXOCQQJBN-CQSZACIVSA-N 0 0 327.402 3.291 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000860702492 1329346113 /nfs/dbraw/zinc/34/61/13/1329346113.db2.gz RDFIOJFJERUCLZ-MRVPVSSYSA-N 0 0 334.706 3.092 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(CCCO)CC1 ZINC000860725802 1329348325 /nfs/dbraw/zinc/34/83/25/1329348325.db2.gz MLWUJNZAOACSDR-UHFFFAOYSA-N 0 0 342.395 3.373 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](Cc2ccncc2)C1 ZINC000860724746 1329348445 /nfs/dbraw/zinc/34/84/45/1329348445.db2.gz WQCZRAFZTJEAFV-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN O=C(N[C@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861010948 1329377911 /nfs/dbraw/zinc/37/79/11/1329377911.db2.gz QBROBIKOYKLNGD-PXAZEXFGSA-N 0 0 328.368 3.029 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCCO1 ZINC000927193794 1327914140 /nfs/dbraw/zinc/91/41/40/1327914140.db2.gz HFQOXZPWXICPJU-GOSISDBHSA-N 0 0 349.431 3.474 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927431934 1328023982 /nfs/dbraw/zinc/02/39/82/1328023982.db2.gz VMUZUNDONRYOJO-CJNGLKHVSA-N 0 0 333.388 3.230 10 5 EGBERN Nc1ccc(NC(=O)NCC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000861203360 1329397028 /nfs/dbraw/zinc/39/70/28/1329397028.db2.gz YNVVGZFSJRQOOO-UHFFFAOYSA-N 0 0 346.309 3.421 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928139041 1328213142 /nfs/dbraw/zinc/21/31/42/1328213142.db2.gz QVMYTAXTFUUOPQ-GFCCVEGCSA-N 0 0 348.346 3.034 10 5 EGBERN Cc1c(CNC(=O)c2cnn(C(C)C)c2Cl)cccc1[N+](=O)[O-] ZINC000861278398 1329404405 /nfs/dbraw/zinc/40/44/05/1329404405.db2.gz ZRSQPYSMQCEUIA-UHFFFAOYSA-N 0 0 336.779 3.264 10 5 EGBERN Cc1cn2cc(CC(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000928246479 1328252976 /nfs/dbraw/zinc/25/29/76/1328252976.db2.gz FRUZLWATNCWSDS-LLVKDONJSA-N 0 0 344.396 3.032 10 5 EGBERN CSCC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000861356860 1329412172 /nfs/dbraw/zinc/41/21/72/1329412172.db2.gz PELPNWNMYFSQEK-JTQLQIEISA-N 0 0 334.401 3.406 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000928577497 1328360146 /nfs/dbraw/zinc/36/01/46/1328360146.db2.gz FNKMIBBGRHHXDF-MRXNPFEDSA-N 0 0 340.383 3.389 10 5 EGBERN Cc1nn(C)cc1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861444453 1329418899 /nfs/dbraw/zinc/41/88/99/1329418899.db2.gz NTWKWXSCGXEEBX-GFCCVEGCSA-N 0 0 343.261 3.097 10 5 EGBERN C[C@@H](CN1C(=O)N[C@@H](CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000929003066 1328487353 /nfs/dbraw/zinc/48/73/53/1328487353.db2.gz QPDUUSBEVVIREM-AAEUAGOBSA-N 0 0 333.388 3.055 10 5 EGBERN CC1(c2nsc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000862609636 1329499226 /nfs/dbraw/zinc/49/92/26/1329499226.db2.gz VNGSGNWUDJYXFQ-DAXSKMNVSA-N 0 0 330.369 3.150 10 5 EGBERN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863281096 1329543748 /nfs/dbraw/zinc/54/37/48/1329543748.db2.gz AKNUEFYBCSYAOV-DYVFJYSZSA-N 0 0 326.352 3.045 10 5 EGBERN C[C@H]1C[C@H]1COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000863348175 1329549008 /nfs/dbraw/zinc/54/90/08/1329549008.db2.gz ZVJZFEUTHPOUNV-BQBZGAKWSA-N 0 0 331.122 3.300 10 5 EGBERN CCCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1C ZINC000863528831 1329560638 /nfs/dbraw/zinc/56/06/38/1329560638.db2.gz CELSEWIBVRYCNZ-UHFFFAOYSA-N 0 0 332.360 3.161 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CC[C@](F)(c3ccccc3)C2)cc1F ZINC000865765062 1329736538 /nfs/dbraw/zinc/73/65/38/1329736538.db2.gz SUOHASLRPVSDSP-QGZVFWFLSA-N 0 0 334.322 3.301 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2c(C)nn(C)c2Cl)c1 ZINC000865903400 1329750748 /nfs/dbraw/zinc/75/07/48/1329750748.db2.gz BGEDKQRAWMWXKS-UHFFFAOYSA-N 0 0 342.758 3.074 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@H]1CC1(Cl)Cl ZINC000865961250 1329754935 /nfs/dbraw/zinc/75/49/35/1329754935.db2.gz NTSHXPPMDBLAHV-YFKPBYRVSA-N 0 0 347.124 3.343 10 5 EGBERN CC(=O)Nc1cccc2c1CN(c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000866039790 1330058270 /nfs/dbraw/zinc/05/82/70/1330058270.db2.gz FSXZLXRAHXZEII-UHFFFAOYSA-N 0 0 325.368 3.424 10 5 EGBERN COc1cc(N2CCc3cccc(NC(C)=O)c3C2)ccc1[N+](=O)[O-] ZINC000866040534 1330058281 /nfs/dbraw/zinc/05/82/81/1330058281.db2.gz ZQNAUCCYGCLKRS-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000866051806 1330059562 /nfs/dbraw/zinc/05/95/62/1330059562.db2.gz IHUFHCBYRRWTRG-DLBZAZTESA-N 0 0 338.367 3.174 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866175906 1330073734 /nfs/dbraw/zinc/07/37/34/1330073734.db2.gz PLLBINNLPBASJP-LBPRGKRZSA-N 0 0 326.780 3.246 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000866177080 1330073816 /nfs/dbraw/zinc/07/38/16/1330073816.db2.gz WGSGVQXOBAKXSQ-LBPRGKRZSA-N 0 0 326.780 3.246 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CC2(CO1)CCOCC2 ZINC000866176096 1330073909 /nfs/dbraw/zinc/07/39/09/1330073909.db2.gz RHXNWUCPSDPYCY-GFCCVEGCSA-N 0 0 326.780 3.246 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1NCCSCCC(F)(F)F ZINC000866183395 1330074887 /nfs/dbraw/zinc/07/48/87/1330074887.db2.gz XNQNNDUQKNLKDR-UHFFFAOYSA-N 0 0 326.344 3.217 10 5 EGBERN Cc1ccnc(N2CCC(c3nc(C4CCC4)no3)CC2)c1[N+](=O)[O-] ZINC000866200128 1330077684 /nfs/dbraw/zinc/07/76/84/1330077684.db2.gz SDSJEZFQWRYPNI-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CSC[C@@H]3C2)cc1OC(F)F ZINC000866202543 1330077816 /nfs/dbraw/zinc/07/78/16/1330077816.db2.gz BVRDIJKVSISXCH-UWVGGRQHSA-N 0 0 330.356 3.386 10 5 EGBERN COc1ccc([C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)cc1 ZINC000866237241 1330083107 /nfs/dbraw/zinc/08/31/07/1330083107.db2.gz IMCZJIBXPAOEQF-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN C[C@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000866337583 1330098490 /nfs/dbraw/zinc/09/84/90/1330098490.db2.gz KTJGTMVBPZIIEC-UWVGGRQHSA-N 0 0 341.205 3.157 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000866373667 1330103307 /nfs/dbraw/zinc/10/33/07/1330103307.db2.gz PCOIOHRLGKLGOW-LZWOXQAQSA-N 0 0 348.399 3.142 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480880 1330117540 /nfs/dbraw/zinc/11/75/40/1330117540.db2.gz LWXZFIBYWORMRZ-HOTGVXAUSA-N 0 0 346.456 3.293 10 5 EGBERN Nc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000866690295 1330141664 /nfs/dbraw/zinc/14/16/64/1330141664.db2.gz WXEOYUNXISKUTD-UHFFFAOYSA-N 0 0 333.775 3.225 10 5 EGBERN Cn1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1C1CC1 ZINC000867467905 1330204349 /nfs/dbraw/zinc/20/43/49/1330204349.db2.gz XIZWSTWKZQVQMU-UHFFFAOYSA-N 0 0 340.383 3.266 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000868317078 1330270105 /nfs/dbraw/zinc/27/01/05/1330270105.db2.gz WIWNMLUZRZBUGV-CQSZACIVSA-N 0 0 344.415 3.062 10 5 EGBERN Cc1cnc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868343894 1330272526 /nfs/dbraw/zinc/27/25/26/1330272526.db2.gz SXGRHZVMYJZIMX-LLVKDONJSA-N 0 0 334.401 3.229 10 5 EGBERN COc1cc(C)cc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868431132 1330279830 /nfs/dbraw/zinc/27/98/30/1330279830.db2.gz MIOXCIJMMYSKNV-UHFFFAOYSA-N 0 0 343.383 3.220 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000868476296 1330284214 /nfs/dbraw/zinc/28/42/14/1330284214.db2.gz KFZMTWZWWNKRAT-NOLJZWGESA-N 0 0 347.415 3.018 10 5 EGBERN Cc1c(CNC(=O)NCC(C)(C)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000868534458 1330291332 /nfs/dbraw/zinc/29/13/32/1330291332.db2.gz GISJJLARSYSGRO-UHFFFAOYSA-N 0 0 329.347 3.384 10 5 EGBERN CCOC1CC2(C[C@@H]2C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000868534455 1330291406 /nfs/dbraw/zinc/29/14/06/1330291406.db2.gz GGOCHWAABDBYIT-HZEYSBKDSA-N 0 0 332.400 3.151 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000868576380 1330295991 /nfs/dbraw/zinc/29/59/91/1330295991.db2.gz IZAKVQFEXPJPPB-GJZGRUSLSA-N 0 0 328.343 3.196 10 5 EGBERN CC(C)(F)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869261880 1330448632 /nfs/dbraw/zinc/44/86/32/1330448632.db2.gz HFDSIXXUEDOLBC-UHFFFAOYSA-N 0 0 347.184 3.154 10 5 EGBERN CC(C)(C(=O)OCc1coc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000869523488 1330516609 /nfs/dbraw/zinc/51/66/09/1330516609.db2.gz GBCZDCHMUNPNEF-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC000869640729 1330539251 /nfs/dbraw/zinc/53/92/51/1330539251.db2.gz YQHKLOHAHYQQCO-SSDOTTSWSA-N 0 0 349.290 3.176 10 5 EGBERN CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000869713959 1330551489 /nfs/dbraw/zinc/55/14/89/1330551489.db2.gz NPSMSNXGPFJUTM-AWEZNQCLSA-N 0 0 325.336 3.372 10 5 EGBERN CCc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2CO)c([N+](=O)[O-])c1 ZINC001185330467 1387685491 /nfs/dbraw/zinc/68/54/91/1387685491.db2.gz BYJCZVVRSNDQQH-UHFFFAOYSA-N 0 0 336.275 3.489 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N(C)CCN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001105435897 1366467302 /nfs/dbraw/zinc/46/73/02/1366467302.db2.gz JMPZZZPSQVSGTD-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@]2(O)CCc3ccccc32)c2ccccc21 ZINC001185888572 1387824925 /nfs/dbraw/zinc/82/49/25/1387824925.db2.gz JOEVUVQOUCKQFH-IBGZPJMESA-N 0 0 335.363 3.389 10 5 EGBERN O=C(Cn1ccnc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccc1 ZINC001189940069 1367136000 /nfs/dbraw/zinc/13/60/00/1367136000.db2.gz ZGOPTQDPQWZCOT-UHFFFAOYSA-N 0 0 336.351 3.025 10 5 EGBERN COc1ccc([C@H](C)Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001190220536 1367202888 /nfs/dbraw/zinc/20/28/88/1367202888.db2.gz XIXCPWBZIDNJJE-GFCCVEGCSA-N 0 0 339.355 3.061 10 5 EGBERN O=c1[nH]ccc(NCc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC001186196266 1387893808 /nfs/dbraw/zinc/89/38/08/1387893808.db2.gz YDMDQWONTPOPPQ-UHFFFAOYSA-N 0 0 342.124 3.209 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccc(C)cc3C2)c1 ZINC001195912145 1368515380 /nfs/dbraw/zinc/51/53/80/1368515380.db2.gz UTLYCPDMDOGLBL-UHFFFAOYSA-N 0 0 340.379 3.248 10 5 EGBERN O=c1[nH]c2c(cc1CNc1ccc3cnccc3c1[N+](=O)[O-])CCC2 ZINC001187082348 1388048083 /nfs/dbraw/zinc/04/80/83/1388048083.db2.gz XXOFNBPXWHOEDV-UHFFFAOYSA-N 0 0 336.351 3.344 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCC2(CO)CCCC2)cc1C ZINC001187045312 1388045146 /nfs/dbraw/zinc/04/51/46/1388045146.db2.gz UALWVPUPRYXOHA-UHFFFAOYSA-N 0 0 336.388 3.045 10 5 EGBERN COc1ccc(Cc2nnc(Cc3ccsc3)o2)cc1[N+](=O)[O-] ZINC001117250360 1371028590 /nfs/dbraw/zinc/02/85/90/1371028590.db2.gz UYMXMWBPJIJPPX-UHFFFAOYSA-N 0 0 331.353 3.230 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001117299064 1371035461 /nfs/dbraw/zinc/03/54/61/1371035461.db2.gz KQTXYKVPNDZCAL-UHFFFAOYSA-N 0 0 331.246 3.053 10 5 EGBERN O=C(NCCC1CCOCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001118857180 1371241891 /nfs/dbraw/zinc/24/18/91/1371241891.db2.gz HNHZDUKCDZBXNF-UHFFFAOYSA-N 0 0 344.371 3.081 10 5 EGBERN Cc1cnc(NCc2ccc(F)nc2Br)c([N+](=O)[O-])c1 ZINC001187739613 1388153802 /nfs/dbraw/zinc/15/38/02/1388153802.db2.gz BRXFGGNJQLHICB-UHFFFAOYSA-N 0 0 341.140 3.207 10 5 EGBERN Cn1nc(C(C)(C)C)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001326357376 1388165617 /nfs/dbraw/zinc/16/56/17/1388165617.db2.gz XWVBGZDJRBGSPT-UHFFFAOYSA-N 0 0 341.371 3.359 10 5 EGBERN O=C(N[C@@H]1CCOCC12CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001121286443 1371922474 /nfs/dbraw/zinc/92/24/74/1371922474.db2.gz OLSKKQRRTRBEOI-GVDBMIGSSA-N 0 0 344.411 3.164 10 5 EGBERN CCc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001326454631 1388195845 /nfs/dbraw/zinc/19/58/45/1388195845.db2.gz YDEDNPXJDJBQTL-UHFFFAOYSA-N 0 0 339.395 3.425 10 5 EGBERN C[C@@H](C(=O)O[C@H]1CCCc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001123108227 1372381751 /nfs/dbraw/zinc/38/17/51/1372381751.db2.gz FVFNVUBXSDVQFQ-ABAIWWIYSA-N 0 0 327.340 3.109 10 5 EGBERN CCOC1(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC001123226654 1372401709 /nfs/dbraw/zinc/40/17/09/1372401709.db2.gz JNRZGXWWACYBEV-UHFFFAOYSA-N 0 0 325.336 3.169 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCOCC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC001123747404 1372575867 /nfs/dbraw/zinc/57/58/67/1372575867.db2.gz SQHBZJAAFGNUNM-BBRMVZONSA-N 0 0 347.415 3.304 10 5 EGBERN O=C(Oc1ccc2ccc(=O)oc2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001124182015 1372681819 /nfs/dbraw/zinc/68/18/19/1372681819.db2.gz DNKSVZUYSMEMMA-UHFFFAOYSA-N 0 0 329.239 3.060 10 5 EGBERN CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)c1ccccc1 ZINC001124400442 1372698275 /nfs/dbraw/zinc/69/82/75/1372698275.db2.gz APPXSDKCKOLJRT-UHFFFAOYSA-N 0 0 328.324 3.033 10 5 EGBERN COC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001124497263 1372707004 /nfs/dbraw/zinc/70/70/04/1372707004.db2.gz GZTXPPSSHKFDGP-UHFFFAOYSA-N 0 0 329.308 3.217 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001124500225 1372707849 /nfs/dbraw/zinc/70/78/49/1372707849.db2.gz NEAUXASPCICSHX-HALDLXJZSA-N 0 0 331.416 3.339 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2cccnc2n1 ZINC001124747812 1372727873 /nfs/dbraw/zinc/72/78/73/1372727873.db2.gz MLNQUVJHXRWGDJ-UHFFFAOYSA-N 0 0 330.250 3.069 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCn2c3ccccc3nc21 ZINC001124811925 1372732444 /nfs/dbraw/zinc/73/24/44/1372732444.db2.gz VSSWHMQEELXEMS-UHFFFAOYSA-N 0 0 336.351 3.222 10 5 EGBERN COc1cccc([C@@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001124936269 1372740964 /nfs/dbraw/zinc/74/09/64/1372740964.db2.gz LSYJEMVXPOZQOT-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125229531 1372762106 /nfs/dbraw/zinc/76/21/06/1372762106.db2.gz GDFSUSCFSNXPFI-AWEZNQCLSA-N 0 0 343.408 3.281 10 5 EGBERN CC1(C)CCc2onc(C(=O)NCc3ccc([N+](=O)[O-])cc3)c2C1 ZINC001125249780 1372763868 /nfs/dbraw/zinc/76/38/68/1372763868.db2.gz OWTHIWUUKNXHEB-UHFFFAOYSA-N 0 0 329.356 3.028 10 5 EGBERN COC(=O)Nc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2C)ccc1F ZINC001125298976 1372767887 /nfs/dbraw/zinc/76/78/87/1372767887.db2.gz XFKCKEMBMSAZIE-UHFFFAOYSA-N 0 0 348.286 3.440 10 5 EGBERN COc1ccc(CNC(=O)c2ccc(C)c(F)c2F)cc1[N+](=O)[O-] ZINC001125322361 1372769856 /nfs/dbraw/zinc/76/98/56/1372769856.db2.gz YRSFQLQHXZEOAK-UHFFFAOYSA-N 0 0 336.294 3.120 10 5 EGBERN C/C(=C\c1ccco1)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125856933 1372874265 /nfs/dbraw/zinc/87/42/65/1372874265.db2.gz DKTOQOLGVSHDRH-VAWYXSNFSA-N 0 0 338.323 3.416 10 5 EGBERN C/C(=C/c1ccco1)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125856932 1372874502 /nfs/dbraw/zinc/87/45/02/1372874502.db2.gz DKTOQOLGVSHDRH-QXMHVHEDSA-N 0 0 338.323 3.416 10 5 EGBERN C[S@](=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001126148979 1372943587 /nfs/dbraw/zinc/94/35/87/1372943587.db2.gz LGQAYSBJRFAVSY-YWTKSJFSSA-N 0 0 344.392 3.074 10 5 EGBERN CCOc1cccc(/C=C/C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001126173040 1372945580 /nfs/dbraw/zinc/94/55/80/1372945580.db2.gz RUYRGFCPXNBHDB-MDZDMXLPSA-N 0 0 326.352 3.323 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC001126679494 1372997473 /nfs/dbraw/zinc/99/74/73/1372997473.db2.gz CJSLZUAOHQXKPG-UHFFFAOYSA-N 0 0 347.321 3.278 10 5 EGBERN Cc1c(C(=O)NC2C(C)(C)C2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001126836505 1373038943 /nfs/dbraw/zinc/03/89/43/1373038943.db2.gz VYNYLCODBYBLQS-UHFFFAOYSA-N 0 0 335.360 3.284 10 5 EGBERN CC(C)OC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001126939005 1373054284 /nfs/dbraw/zinc/05/42/84/1373054284.db2.gz BLTOQJVCHFQJPL-UHFFFAOYSA-N 0 0 334.416 3.381 10 5 EGBERN COc1cccc2c1CC[C@@H]2NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001127012910 1373068111 /nfs/dbraw/zinc/06/81/11/1373068111.db2.gz ZEYDEOXSJUBNLP-ZDUSSCGKSA-N 0 0 330.315 3.160 10 5 EGBERN Cc1nnc(CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(C)(C)C)o1 ZINC001127090565 1373083862 /nfs/dbraw/zinc/08/38/62/1373083862.db2.gz IKKANZOOJBJCPV-LLVKDONJSA-N 0 0 346.387 3.217 10 5 EGBERN C[C@@H]1CCC[C@H](OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C ZINC001127682157 1373159916 /nfs/dbraw/zinc/15/99/16/1373159916.db2.gz YOACAJQGSYULRT-HSMVNMDESA-N 0 0 344.371 3.157 10 5 EGBERN CC[C@H](NC(=O)c1ncc2c(F)cccn21)c1cccc([N+](=O)[O-])c1 ZINC001127681479 1373159919 /nfs/dbraw/zinc/15/99/19/1373159919.db2.gz QRXXIXDETHRAHT-AWEZNQCLSA-N 0 0 342.330 3.263 10 5 EGBERN CCCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC001127864284 1373191901 /nfs/dbraw/zinc/19/19/01/1373191901.db2.gz MQWJFCZTQQHFCC-UHFFFAOYSA-N 0 0 326.312 3.336 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001127909888 1373198442 /nfs/dbraw/zinc/19/84/42/1373198442.db2.gz HMYRZDDKLQWUQJ-HNNXBMFYSA-N 0 0 325.368 3.236 10 5 EGBERN CN(C)c1ccc(COC(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001128002515 1373207635 /nfs/dbraw/zinc/20/76/35/1373207635.db2.gz JOEDGUGUNOKLBM-RHSMWYFYSA-N 0 0 348.399 3.052 10 5 EGBERN Cc1c(CNC(=O)Cc2nsc3ccccc32)cccc1[N+](=O)[O-] ZINC001128004290 1373207739 /nfs/dbraw/zinc/20/77/39/1373207739.db2.gz IMCMBZDXPUSCAO-UHFFFAOYSA-N 0 0 341.392 3.372 10 5 EGBERN CCn1cc(Cl)cc1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001128189428 1373232112 /nfs/dbraw/zinc/23/21/12/1373232112.db2.gz KRSJBNOVIUWIKX-UHFFFAOYSA-N 0 0 337.763 3.438 10 5 EGBERN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCC(C)(C)C1 ZINC001128694155 1373303721 /nfs/dbraw/zinc/30/37/21/1373303721.db2.gz WIJOPABHIJAUKZ-WBMJQRKESA-N 0 0 345.399 3.125 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(OC(F)F)nc1 ZINC001128952020 1373326968 /nfs/dbraw/zinc/32/69/68/1373326968.db2.gz TZXDMAGRFFLZST-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN CC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC001129102737 1373346399 /nfs/dbraw/zinc/34/63/99/1373346399.db2.gz NRQHOSDUKJPCSZ-QWHCGFSZSA-N 0 0 345.380 3.305 10 5 EGBERN COc1nccc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC001129166593 1373356272 /nfs/dbraw/zinc/35/62/72/1373356272.db2.gz YUTWCTSKTQKQGX-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN Cc1ccc(COC(=O)c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC001129247599 1373364870 /nfs/dbraw/zinc/36/48/70/1373364870.db2.gz NELLUNAWXMHOAV-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Oc2c(C)cc(OC)cc2C)c1 ZINC001129979672 1373441947 /nfs/dbraw/zinc/44/19/47/1373441947.db2.gz JBILYRXSLJNESQ-UHFFFAOYSA-N 0 0 331.324 3.448 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001130299559 1373487643 /nfs/dbraw/zinc/48/76/43/1373487643.db2.gz NTPJGGBXNSGCOW-UHFFFAOYSA-N 0 0 341.367 3.378 10 5 EGBERN CN(C)c1cc(F)cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001130501997 1373552386 /nfs/dbraw/zinc/55/23/86/1373552386.db2.gz VSXUWESCQKRCRI-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001130563567 1373560107 /nfs/dbraw/zinc/56/01/07/1373560107.db2.gz SVWGXPRBIKQMBM-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC001130759006 1373588245 /nfs/dbraw/zinc/58/82/45/1373588245.db2.gz WNIAIVOSRSQBCV-OAHLLOKOSA-N 0 0 335.319 3.258 10 5 EGBERN O=C(CC(F)(F)C(F)F)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130758985 1373588720 /nfs/dbraw/zinc/58/87/20/1373588720.db2.gz VXYBRVMHCKNLSU-UHFFFAOYSA-N 0 0 331.225 3.372 10 5 EGBERN CCOc1cc(NC(=O)c2ccc(N(C)C)cc2F)ccc1[N+](=O)[O-] ZINC001130798890 1373592742 /nfs/dbraw/zinc/59/27/42/1373592742.db2.gz MMPVDNDUJLVBIQ-UHFFFAOYSA-N 0 0 347.346 3.451 10 5 EGBERN CO[C@@H](C(=O)N1CCCCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC001130837648 1373597873 /nfs/dbraw/zinc/59/78/73/1373597873.db2.gz YWWITKHRNCGYFJ-QGZVFWFLSA-N 0 0 332.400 3.469 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1noc2c1CCCC2 ZINC001130955020 1373614659 /nfs/dbraw/zinc/61/46/59/1373614659.db2.gz WNDGIXNTXAWHQZ-UHFFFAOYSA-N 0 0 338.323 3.262 10 5 EGBERN Cc1cncc(/C=C/C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130955062 1373614847 /nfs/dbraw/zinc/61/48/47/1373614847.db2.gz YCUOPOLYWHRKGZ-GORDUTHDSA-N 0 0 334.335 3.498 10 5 EGBERN CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC001131000570 1373622312 /nfs/dbraw/zinc/62/23/12/1373622312.db2.gz VXHRJNCRJBWQIV-UONOGXRCSA-N 0 0 327.340 3.131 10 5 EGBERN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cnc1C(F)(F)F ZINC001131182537 1373658605 /nfs/dbraw/zinc/65/86/05/1373658605.db2.gz QYEXRHPIBQUOFD-UHFFFAOYSA-N 0 0 339.273 3.498 10 5 EGBERN O=C(Nc1ccc2c(c1)COC(=O)N2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001131239422 1373667014 /nfs/dbraw/zinc/66/70/14/1373667014.db2.gz WYJPKKWZIHSENM-UHFFFAOYSA-N 0 0 349.249 3.187 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2c(c1)C[C@H](C)O2 ZINC001131789117 1373808718 /nfs/dbraw/zinc/80/87/18/1373808718.db2.gz GCWKMPQATHOMJF-NSHDSACASA-N 0 0 343.335 3.284 10 5 EGBERN Cc1ccccc1Cc1nnc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 ZINC001326944938 1388357391 /nfs/dbraw/zinc/35/73/91/1388357391.db2.gz WNUGXZSIBLCHMF-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN Cc1ccc(CNC(=O)c2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001132419100 1375367224 /nfs/dbraw/zinc/36/72/24/1375367224.db2.gz XHWRSWVDZAFREQ-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C)c(F)c2)c1 ZINC001132620202 1375487426 /nfs/dbraw/zinc/48/74/26/1375487426.db2.gz QXGHZNXBXZTWBK-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC001132636924 1375493216 /nfs/dbraw/zinc/49/32/16/1375493216.db2.gz CSMZAGRFQOAXOS-INIZCTEOSA-N 0 0 346.770 3.177 10 5 EGBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001132720458 1375527916 /nfs/dbraw/zinc/52/79/16/1375527916.db2.gz AXZOEDHZFMZTGM-LLVKDONJSA-N 0 0 325.324 3.156 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001132720459 1375527948 /nfs/dbraw/zinc/52/79/48/1375527948.db2.gz AXZOEDHZFMZTGM-NSHDSACASA-N 0 0 325.324 3.156 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001132991005 1375697270 /nfs/dbraw/zinc/69/72/70/1375697270.db2.gz FTDGMARVJWDFDU-CYBMUJFWSA-N 0 0 330.388 3.337 10 5 EGBERN COc1ncc(COc2ncc(C)cc2[N+](=O)[O-])c2ccccc21 ZINC001188864476 1388394626 /nfs/dbraw/zinc/39/46/26/1388394626.db2.gz XMNALJXCDNZCJY-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN Cc1cc(F)cc(C(=O)NCc2ncc(Cl)s2)c1[N+](=O)[O-] ZINC001133152946 1375810429 /nfs/dbraw/zinc/81/04/29/1375810429.db2.gz OLNNCVGZSKZLES-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN CCC[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001133214903 1375846535 /nfs/dbraw/zinc/84/65/35/1375846535.db2.gz PBMNCTXURRGXRU-LLVKDONJSA-N 0 0 325.384 3.356 10 5 EGBERN C=C/C=C/CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001133263965 1375880081 /nfs/dbraw/zinc/88/00/81/1375880081.db2.gz IZTUPSBAYXTFLJ-ONEGZZNKSA-N 0 0 329.400 3.447 10 5 EGBERN C[C@@H](NC(=O)c1ncc2cc(Cl)ccn21)c1ccc([N+](=O)[O-])cc1 ZINC001133424327 1376001554 /nfs/dbraw/zinc/00/15/54/1376001554.db2.gz KKJKYALYEQRWIY-SNVBAGLBSA-N 0 0 344.758 3.387 10 5 EGBERN CC(C)[S@](C)(=O)=NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001133895513 1376254858 /nfs/dbraw/zinc/25/48/58/1376254858.db2.gz WJVPGYZZHAWBKW-DEOSSOPVSA-N 0 0 347.396 3.303 10 5 EGBERN C[S@@](=O)(=NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001133994487 1376301561 /nfs/dbraw/zinc/30/15/61/1376301561.db2.gz GRDVWBNXENCNEP-AGUXYKHFSA-N 0 0 330.365 3.292 10 5 EGBERN Cc1cc(F)c(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(F)c1 ZINC001134053433 1376332883 /nfs/dbraw/zinc/33/28/83/1376332883.db2.gz WLAONSVGSBGOST-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN COC(=O)c1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC001134336349 1376482825 /nfs/dbraw/zinc/48/28/25/1376482825.db2.gz UCCUHEVITPXQMZ-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001134358039 1376492724 /nfs/dbraw/zinc/49/27/24/1376492724.db2.gz KKLAFBTVDMYLOY-UHFFFAOYSA-N 0 0 341.367 3.244 10 5 EGBERN C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC001134502120 1376571666 /nfs/dbraw/zinc/57/16/66/1376571666.db2.gz SEIUITNUGUBXQQ-CHWSQXEVSA-N 0 0 340.379 3.452 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001134596108 1376617990 /nfs/dbraw/zinc/61/79/90/1376617990.db2.gz QBFVKSWKGVGLSL-IINYFYTJSA-N 0 0 326.805 3.073 10 5 EGBERN CC(C)Oc1cnccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001134714728 1376675017 /nfs/dbraw/zinc/67/50/17/1376675017.db2.gz HDAXJLYGHSENAX-UHFFFAOYSA-N 0 0 335.747 3.105 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC12CCCCC2 ZINC001134715498 1376676130 /nfs/dbraw/zinc/67/61/30/1376676130.db2.gz BWUFOMGPVZSCMF-FSNWXROXSA-N 0 0 330.384 3.216 10 5 EGBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1ccc([N+](=O)[O-])o1 ZINC001135215853 1376980756 /nfs/dbraw/zinc/98/07/56/1376980756.db2.gz JORHAHGQDWJUDI-UHFFFAOYSA-N 0 0 326.268 3.022 10 5 EGBERN CC(C)(C)SCCCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001189182227 1388476479 /nfs/dbraw/zinc/47/64/79/1388476479.db2.gz BPWITSTWWPFOOO-UHFFFAOYSA-N 0 0 337.401 3.333 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001135504248 1377122020 /nfs/dbraw/zinc/12/20/20/1377122020.db2.gz GNCMLSOOYONDGT-ZDUSSCGKSA-N 0 0 340.257 3.286 10 5 EGBERN Cc1cc(C)c(OC(=O)CCc2nnc(C(F)F)o2)c([N+](=O)[O-])c1 ZINC001264250433 1377142046 /nfs/dbraw/zinc/14/20/46/1377142046.db2.gz VJOLTMUKGZWMJW-UHFFFAOYSA-N 0 0 341.270 3.070 10 5 EGBERN CC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001135962876 1377278569 /nfs/dbraw/zinc/27/85/69/1377278569.db2.gz KNMCPDWUBJLXEC-UHFFFAOYSA-N 0 0 334.715 3.426 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c[nH]nc21 ZINC001136040894 1377310262 /nfs/dbraw/zinc/31/02/62/1377310262.db2.gz HJRZXGUJDDOCAT-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001136076668 1377330742 /nfs/dbraw/zinc/33/07/42/1377330742.db2.gz TZCLLJHQGZDRHU-UHFFFAOYSA-N 0 0 338.323 3.448 10 5 EGBERN C[C@H](c1ccco1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136113474 1377348257 /nfs/dbraw/zinc/34/82/57/1377348257.db2.gz LGYGWUMEEODTDW-LLVKDONJSA-N 0 0 340.339 3.411 10 5 EGBERN CC(C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001136187171 1377362071 /nfs/dbraw/zinc/36/20/71/1377362071.db2.gz NNKOEWFPQLVJBU-UHFFFAOYSA-N 0 0 343.221 3.452 10 5 EGBERN O=C(NCCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001136434767 1377392720 /nfs/dbraw/zinc/39/27/20/1377392720.db2.gz JREMPOCGEAMMJI-UHFFFAOYSA-N 0 0 336.294 3.072 10 5 EGBERN Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136769132 1377421446 /nfs/dbraw/zinc/42/14/46/1377421446.db2.gz BEPVDACAEPUGFS-HNNXBMFYSA-N 0 0 342.399 3.398 10 5 EGBERN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137187983 1377494068 /nfs/dbraw/zinc/49/40/68/1377494068.db2.gz NBPYFZIRIALESA-SWLSCSKDSA-N 0 0 325.368 3.195 10 5 EGBERN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001137550742 1377565085 /nfs/dbraw/zinc/56/50/85/1377565085.db2.gz OWJGILLULRKRLG-XCBNKYQSSA-N 0 0 329.759 3.278 10 5 EGBERN O=C(NCc1cccc2cc[nH]c21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138251668 1377693591 /nfs/dbraw/zinc/69/35/91/1377693591.db2.gz IVORDXDJSKFSGA-DLBZAZTESA-N 0 0 335.363 3.496 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC001138485119 1377730240 /nfs/dbraw/zinc/73/02/40/1377730240.db2.gz RDLSXLCTEOOHRM-UHFFFAOYSA-N 0 0 343.358 3.211 10 5 EGBERN COc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2s1 ZINC001139215117 1377853203 /nfs/dbraw/zinc/85/32/03/1377853203.db2.gz WPMFDUDNYSWUMG-UHFFFAOYSA-N 0 0 344.352 3.169 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC001139432335 1377883111 /nfs/dbraw/zinc/88/31/11/1377883111.db2.gz VZYFWKFMROOSPJ-NSHDSACASA-N 0 0 330.340 3.190 10 5 EGBERN CO[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001273266537 1378093748 /nfs/dbraw/zinc/09/37/48/1378093748.db2.gz SEIZJFYAMSAFRF-CQSZACIVSA-N 0 0 348.786 3.236 10 5 EGBERN Cc1cc(OCC(=O)Oc2cccc3c2CCC3)ccc1[N+](=O)[O-] ZINC001277203003 1378210030 /nfs/dbraw/zinc/21/00/30/1378210030.db2.gz OWRGPXZSBLOSED-UHFFFAOYSA-N 0 0 327.336 3.376 10 5 EGBERN C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001141617995 1378351892 /nfs/dbraw/zinc/35/18/92/1378351892.db2.gz MPUFWVBRBOQIQK-NSHDSACASA-N 0 0 330.315 3.157 10 5 EGBERN Nc1ccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001141767596 1378373121 /nfs/dbraw/zinc/37/31/21/1378373121.db2.gz MCWUMRZQIMOAGN-KBPBESRZSA-N 0 0 329.331 3.448 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001143093603 1378538397 /nfs/dbraw/zinc/53/83/97/1378538397.db2.gz XVYHMLDIPPSZDP-SNVBAGLBSA-N 0 0 333.319 3.182 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)nc2ccccn21 ZINC001143093597 1378538419 /nfs/dbraw/zinc/53/84/19/1378538419.db2.gz XMVMTDMPIFFHNW-UHFFFAOYSA-N 0 0 345.746 3.190 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(OC)cc1 ZINC001143093620 1378538567 /nfs/dbraw/zinc/53/85/67/1378538567.db2.gz YKUNGLMQQLGSOV-UHFFFAOYSA-N 0 0 345.355 3.053 10 5 EGBERN O=C(NCC=C(Cl)Cl)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001143857783 1378654318 /nfs/dbraw/zinc/65/43/18/1378654318.db2.gz QBQJCKXSVKPMMU-UHFFFAOYSA-N 0 0 327.526 3.436 10 5 EGBERN CC[C@H](C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001147249611 1378997483 /nfs/dbraw/zinc/99/74/83/1378997483.db2.gz ABLDFBZIUZDAMF-NWDGAFQWSA-N 0 0 331.372 3.073 10 5 EGBERN C[C@H](Cc1ccncc1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001148257556 1379140777 /nfs/dbraw/zinc/14/07/77/1379140777.db2.gz QIEXBGILEYJHMA-SECBINFHSA-N 0 0 337.738 3.143 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327860901 1388608216 /nfs/dbraw/zinc/60/82/16/1388608216.db2.gz ZNNKNLLTKOLDNW-JGPRNRPPSA-N 0 0 325.315 3.377 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CO2 ZINC001149786128 1379445891 /nfs/dbraw/zinc/44/58/91/1379445891.db2.gz VMEZBRVWBQLNRO-AWEZNQCLSA-N 0 0 346.770 3.349 10 5 EGBERN O=C(c1cccc2nc[nH]c21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001149909459 1379465358 /nfs/dbraw/zinc/46/53/58/1379465358.db2.gz USEOFSTVVIISDB-UHFFFAOYSA-N 0 0 336.351 3.276 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccccc1C ZINC001149935945 1379470026 /nfs/dbraw/zinc/47/00/26/1379470026.db2.gz SPDKWLGLSFZJSM-OAHLLOKOSA-N 0 0 346.408 3.089 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(CC(F)(F)F)C1 ZINC001149963999 1379474485 /nfs/dbraw/zinc/47/44/85/1379474485.db2.gz ZUXGBNDGKCMKDP-UHFFFAOYSA-N 0 0 332.278 3.018 10 5 EGBERN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc21 ZINC001150039307 1379488188 /nfs/dbraw/zinc/48/81/88/1379488188.db2.gz VCFWITGEAPRYHP-MRXNPFEDSA-N 0 0 325.368 3.329 10 5 EGBERN Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC001150082365 1379491566 /nfs/dbraw/zinc/49/15/66/1379491566.db2.gz UQHZIJMDWSKUJV-UHFFFAOYSA-N 0 0 328.324 3.210 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001327887589 1388616591 /nfs/dbraw/zinc/61/65/91/1388616591.db2.gz CZKKBCOQNLPPIZ-ADEWGFFLSA-N 0 0 327.356 3.315 10 5 EGBERN Nc1c(C(=O)Nc2ccc(O)cc2F)cc2ccccc2c1[N+](=O)[O-] ZINC001152107068 1379863002 /nfs/dbraw/zinc/86/30/02/1379863002.db2.gz SEQCPRXMEGWLMP-UHFFFAOYSA-N 0 0 341.298 3.427 10 5 EGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001153419610 1380075020 /nfs/dbraw/zinc/07/50/20/1380075020.db2.gz GYHNWRYQVSDKGS-UHFFFAOYSA-N 0 0 342.277 3.002 10 5 EGBERN COc1cc(C(=O)NCc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1F ZINC001154345765 1380261043 /nfs/dbraw/zinc/26/10/43/1380261043.db2.gz QVOXPXCZRUQWSG-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])s2)c1-c1cccnc1 ZINC001154562148 1380306391 /nfs/dbraw/zinc/30/63/91/1380306391.db2.gz JSZVNGRENDQKHQ-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001155547830 1380466768 /nfs/dbraw/zinc/46/67/68/1380466768.db2.gz IFCWUWOJIFAPAO-UHFFFAOYSA-N 0 0 331.662 3.104 10 5 EGBERN CN(C(N)=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001156541933 1380591401 /nfs/dbraw/zinc/59/14/01/1380591401.db2.gz BYGHZJXTICSZDI-UHFFFAOYSA-N 0 0 348.746 3.015 10 5 EGBERN CON(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1csc(C)n1 ZINC001328151790 1388682165 /nfs/dbraw/zinc/68/21/65/1388682165.db2.gz RVHWGCGBGFRZFK-JTQLQIEISA-N 0 0 335.385 3.433 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001287461999 1381217313 /nfs/dbraw/zinc/21/73/13/1381217313.db2.gz ZSVQZBSSZJPFOW-GOEBONIOSA-N 0 0 332.306 3.088 10 5 EGBERN COc1cncc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001287600058 1381282093 /nfs/dbraw/zinc/28/20/93/1381282093.db2.gz VZFJYSWYPBYNCT-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN CCOC1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC001288000695 1381478225 /nfs/dbraw/zinc/47/82/25/1381478225.db2.gz VUJIJUMKVVXONG-UHFFFAOYSA-N 0 0 336.388 3.165 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)c(F)c(F)c1F ZINC001288031346 1381507770 /nfs/dbraw/zinc/50/77/70/1381507770.db2.gz JZQZHTNRJFAHED-UHFFFAOYSA-N 0 0 344.220 3.412 10 5 EGBERN CC(C)(C(=O)Nc1[nH][nH]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])cc1 ZINC001159062985 1381549189 /nfs/dbraw/zinc/54/91/89/1381549189.db2.gz CZBJSGJALCSSGO-UHFFFAOYSA-N 0 0 340.339 3.093 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328343512 1388726169 /nfs/dbraw/zinc/72/61/69/1388726169.db2.gz WTXUIDQJVXAFSR-DVVUODLYSA-N 0 0 325.315 3.256 10 5 EGBERN COC(=O)c1c(C)sc(C)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001288182951 1381645060 /nfs/dbraw/zinc/64/50/60/1381645060.db2.gz GPJLNVAYWYZHTD-UHFFFAOYSA-N 0 0 340.382 3.374 10 5 EGBERN Cc1c(CC(=O)N[C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001288198399 1381714482 /nfs/dbraw/zinc/71/44/82/1381714482.db2.gz YSEJJQIUBIYQSI-GFCCVEGCSA-N 0 0 339.351 3.464 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001288215612 1381730849 /nfs/dbraw/zinc/73/08/49/1381730849.db2.gz BCZQGRSCBWTXJS-KBPBESRZSA-N 0 0 345.330 3.270 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001288236868 1381747628 /nfs/dbraw/zinc/74/76/28/1381747628.db2.gz KLIQOAHOQXLWJZ-WMZOPIPTSA-N 0 0 344.342 3.115 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288792672 1381940318 /nfs/dbraw/zinc/94/03/18/1381940318.db2.gz KRLQOPGAJSBYNK-JTQLQIEISA-N 0 0 345.311 3.003 10 5 EGBERN CC1(C)CC[C@H](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)OC1 ZINC001289357343 1381994168 /nfs/dbraw/zinc/99/41/68/1381994168.db2.gz VKLZQLDLMIYGPO-CDVVCGDMSA-N 0 0 332.400 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC001291901476 1382160985 /nfs/dbraw/zinc/16/09/85/1382160985.db2.gz DIUAEMQREZGANV-OAHLLOKOSA-N 0 0 343.358 3.285 10 5 EGBERN CC(C)c1ccc(CCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001293323011 1382271902 /nfs/dbraw/zinc/27/19/02/1382271902.db2.gz QQWZMNZWOCECON-UHFFFAOYSA-N 0 0 342.399 3.058 10 5 EGBERN COCc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161486500 1382420739 /nfs/dbraw/zinc/42/07/39/1382420739.db2.gz AYMCVSBHNCWSEL-CVEARBPZSA-N 0 0 342.351 3.189 10 5 EGBERN Nc1cc(Cl)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294549770 1382470392 /nfs/dbraw/zinc/47/03/92/1382470392.db2.gz AUANXUXEOIMCPK-UHFFFAOYSA-N 0 0 331.759 3.029 10 5 EGBERN CN(Cc1cccnc1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001161935856 1382560034 /nfs/dbraw/zinc/56/00/34/1382560034.db2.gz KSNMVEOPLKGPKW-UHFFFAOYSA-N 0 0 329.747 3.223 10 5 EGBERN CCOc1ncccc1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001162098935 1382628821 /nfs/dbraw/zinc/62/88/21/1382628821.db2.gz INJWRBZIWUUIFM-UHFFFAOYSA-N 0 0 342.330 3.110 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC3CCSCC3)c2c1 ZINC001162476829 1382768886 /nfs/dbraw/zinc/76/88/86/1382768886.db2.gz ZBUAHFYLEJNRHP-UHFFFAOYSA-N 0 0 348.384 3.028 10 5 EGBERN CCC[C@H](CCO)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001162631607 1382816366 /nfs/dbraw/zinc/81/63/66/1382816366.db2.gz MJAZHITVMHHEPD-LLVKDONJSA-N 0 0 337.807 3.429 10 5 EGBERN O=c1ccn(-c2nc3c(cc(Cl)cc3F)s2)cc1[N+](=O)[O-] ZINC001162658908 1382823975 /nfs/dbraw/zinc/82/39/75/1382823975.db2.gz CNMAHXLBEMHBGG-UHFFFAOYSA-N 0 0 325.708 3.148 10 5 EGBERN O=C(CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCc1ccccc1 ZINC001162749114 1382857399 /nfs/dbraw/zinc/85/73/99/1382857399.db2.gz GXYAUDHPYJYZLA-UHFFFAOYSA-N 0 0 340.339 3.017 10 5 EGBERN CCc1ccc(CN(CC(C)C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC001162914061 1382915600 /nfs/dbraw/zinc/91/56/00/1382915600.db2.gz GVJKRXUCVKHRNB-UHFFFAOYSA-N 0 0 344.415 3.487 10 5 EGBERN CC(C)(C)Oc1cccc(CNc2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001162967885 1382930836 /nfs/dbraw/zinc/93/08/36/1382930836.db2.gz QQRNUVGBQRXEKE-UHFFFAOYSA-N 0 0 336.779 3.250 10 5 EGBERN CCC[C@@H](C)c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001163270920 1383009486 /nfs/dbraw/zinc/00/94/86/1383009486.db2.gz IHUBEIDKJDKJJQ-LLVKDONJSA-N 0 0 331.376 3.272 10 5 EGBERN CCCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H](C)C(=O)OCC ZINC001297140931 1383121671 /nfs/dbraw/zinc/12/16/71/1383121671.db2.gz MMPKQDNBQUWZCW-JTQLQIEISA-N 0 0 342.779 3.052 10 5 EGBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCCS3)c2c1 ZINC001163826744 1383126031 /nfs/dbraw/zinc/12/60/31/1383126031.db2.gz YEODVMMCSOVBHV-NSHDSACASA-N 0 0 348.384 3.171 10 5 EGBERN Cc1ccc2ccnc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2c1 ZINC001163952684 1383139215 /nfs/dbraw/zinc/13/92/15/1383139215.db2.gz XCCQYWCWXCIJBN-UHFFFAOYSA-N 0 0 337.335 3.469 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001164103484 1383156714 /nfs/dbraw/zinc/15/67/14/1383156714.db2.gz QEYISAKKJPNOHK-UONOGXRCSA-N 0 0 332.400 3.399 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001164169962 1383162436 /nfs/dbraw/zinc/16/24/36/1383162436.db2.gz IKPKZWKOHZPHRC-SCZZXKLOSA-N 0 0 332.278 3.367 10 5 EGBERN Cc1ncc(CSc2ncc([N+](=O)[O-])cc2Br)o1 ZINC001164289038 1383174603 /nfs/dbraw/zinc/17/46/03/1383174603.db2.gz ZGEXNUKAVCXJAE-UHFFFAOYSA-N 0 0 330.163 3.341 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC2(C1)COC(C)(C)C2 ZINC001164303049 1383175772 /nfs/dbraw/zinc/17/57/72/1383175772.db2.gz NXSLJAVGDCGEDH-UHFFFAOYSA-N 0 0 348.399 3.449 10 5 EGBERN O=C(Nc1ccccc1Sc1ncccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC001164495724 1383193476 /nfs/dbraw/zinc/19/34/76/1383193476.db2.gz XAQMMCKRHRMUHP-UHFFFAOYSA-N 0 0 341.352 3.116 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OCCOc1ccc2c(c1)OCO2 ZINC001165592571 1383313755 /nfs/dbraw/zinc/31/37/55/1383313755.db2.gz BKGBPGPYMUHERK-UHFFFAOYSA-N 0 0 337.715 3.435 10 5 EGBERN O=c1ccc(-c2ccccc2F)nn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001165636229 1383318165 /nfs/dbraw/zinc/31/81/65/1383318165.db2.gz KNMVDIHGNKBHLW-UHFFFAOYSA-N 0 0 343.289 3.145 10 5 EGBERN Cc1nn(Cc2ncc(Cl)nc2Cl)c2ccc([N+](=O)[O-])cc12 ZINC001165840492 1383351609 /nfs/dbraw/zinc/35/16/09/1383351609.db2.gz GYWLRWITMGLHFR-UHFFFAOYSA-N 0 0 338.154 3.398 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001166071854 1383386029 /nfs/dbraw/zinc/38/60/29/1383386029.db2.gz LHFFJFVSYWXBST-UHFFFAOYSA-N 0 0 345.286 3.152 10 5 EGBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298757692 1383426579 /nfs/dbraw/zinc/42/65/79/1383426579.db2.gz MPQCOUNHZZTNEI-XNRPHZJLSA-N 0 0 334.416 3.301 10 5 EGBERN CC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC001299008867 1383452796 /nfs/dbraw/zinc/45/27/96/1383452796.db2.gz AJSDTENTONCEMV-UHFFFAOYSA-N 0 0 340.335 3.239 10 5 EGBERN O=[N+]([O-])c1ncccc1Cn1nc(Cc2ccc(F)cc2)nc1Cl ZINC001166842711 1383486370 /nfs/dbraw/zinc/48/63/70/1383486370.db2.gz LVUZHWBMXIJQDW-UHFFFAOYSA-N 0 0 347.737 3.013 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001299236097 1383491145 /nfs/dbraw/zinc/49/11/45/1383491145.db2.gz QGFXVVQKRWEWOW-XMMPIXPASA-N 0 0 347.396 3.499 10 5 EGBERN Cc1c(Br)ccc(OC[C@H]2COC(C)(C)O2)c1[N+](=O)[O-] ZINC001166892195 1383495767 /nfs/dbraw/zinc/49/57/67/1383495767.db2.gz YKADUONZKLRKIY-VIFPVBQESA-N 0 0 346.177 3.196 10 5 EGBERN O=C(COc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCCC1 ZINC001166933918 1383501458 /nfs/dbraw/zinc/50/14/58/1383501458.db2.gz VKZBKGJTBQJOPZ-UHFFFAOYSA-N 0 0 335.356 3.284 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(CCc3c(F)cccc3F)CC2)c1 ZINC001167015733 1383519120 /nfs/dbraw/zinc/51/91/20/1383519120.db2.gz GXRKGXQNRNREJX-UHFFFAOYSA-N 0 0 347.365 3.238 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nccc3cc[nH]c32)c1 ZINC001167121989 1383544979 /nfs/dbraw/zinc/54/49/79/1383544979.db2.gz XCOYNPITVGCAPB-UHFFFAOYSA-N 0 0 340.339 3.187 10 5 EGBERN Cc1cc(=O)[nH]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC001299776959 1383627139 /nfs/dbraw/zinc/62/71/39/1383627139.db2.gz MDKHEPBDSBREAX-UHFFFAOYSA-N 0 0 329.337 3.471 10 5 EGBERN Cc1noc(CN2CCCC[C@@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC001167567318 1383672174 /nfs/dbraw/zinc/67/21/74/1383672174.db2.gz DKGMCFFNHNJVFB-LLVKDONJSA-N 0 0 335.364 3.125 10 5 EGBERN Cc1cccc2c1C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CO2 ZINC001167629167 1383693555 /nfs/dbraw/zinc/69/35/55/1383693555.db2.gz BQVBIAMHAVUHCY-GFCCVEGCSA-N 0 0 346.770 3.290 10 5 EGBERN O=C(NCCCCC1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001302507119 1383756211 /nfs/dbraw/zinc/75/62/11/1383756211.db2.gz LLGUMMIWIRLDQN-UHFFFAOYSA-N 0 0 329.356 3.159 10 5 EGBERN Cc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])[nH]n1 ZINC001304124735 1383833722 /nfs/dbraw/zinc/83/37/22/1383833722.db2.gz TVRGVNMPGZDCJY-HNNXBMFYSA-N 0 0 332.335 3.133 10 5 EGBERN CCC[C@@](C)(NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001305293176 1383859782 /nfs/dbraw/zinc/85/97/82/1383859782.db2.gz ZIXXZMQIPZXDCE-QGZVFWFLSA-N 0 0 328.372 3.017 10 5 EGBERN COC(=O)/C=C/c1ccc(Oc2ncc([N+](=O)[O-])cc2F)c(OC)c1 ZINC001306924352 1383921145 /nfs/dbraw/zinc/92/11/45/1383921145.db2.gz MOQCPFBHJSTGGT-GQCTYLIASA-N 0 0 348.286 3.116 10 5 EGBERN Cc1c(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC001306937548 1383922997 /nfs/dbraw/zinc/92/29/97/1383922997.db2.gz PEDSWWLOPNKZJN-UHFFFAOYSA-N 0 0 346.221 3.356 10 5 EGBERN CC[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Oc1cccc(F)c1 ZINC001306987936 1383930307 /nfs/dbraw/zinc/93/03/07/1383930307.db2.gz HGRBTLRNUPQZRD-CYBMUJFWSA-N 0 0 347.346 3.102 10 5 EGBERN CCCn1c(C2CCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307020886 1383933539 /nfs/dbraw/zinc/93/35/39/1383933539.db2.gz NKTGBQFGWSLUOI-UHFFFAOYSA-N 0 0 341.415 3.427 10 5 EGBERN Cc1c(Nc2c3ccccc3ncc2[N+](=O)[O-])cnn1CC(C)C ZINC001307071519 1383936318 /nfs/dbraw/zinc/93/63/18/1383936318.db2.gz BGCYPWICBPJWQE-UHFFFAOYSA-N 0 0 325.372 3.469 10 5 EGBERN CCC(CC)(CO)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001307073453 1383937217 /nfs/dbraw/zinc/93/72/17/1383937217.db2.gz PVJNBJVXXJNBBS-UHFFFAOYSA-N 0 0 344.795 3.245 10 5 EGBERN Cc1c(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cccc1N(C)C ZINC001307083061 1383938379 /nfs/dbraw/zinc/93/83/79/1383938379.db2.gz GBUMTJIIXFCVSZ-UHFFFAOYSA-N 0 0 343.309 3.465 10 5 EGBERN C[C@@](O)(CNc1c(Cl)cncc1[N+](=O)[O-])c1ccccc1Cl ZINC001307089926 1383939132 /nfs/dbraw/zinc/93/91/32/1383939132.db2.gz DCQFLKWTORUDNE-CQSZACIVSA-N 0 0 342.182 3.038 10 5 EGBERN CCOC1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001307130008 1383942939 /nfs/dbraw/zinc/94/29/39/1383942939.db2.gz IFSTYYCEMFVUSX-UHFFFAOYSA-N 0 0 326.352 3.051 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@@H](O)C2CCCC2)c(C(F)(F)F)c1 ZINC001307192554 1383954382 /nfs/dbraw/zinc/95/43/82/1383954382.db2.gz ZULUNBKDZIMIFV-GFCCVEGCSA-N 0 0 333.310 3.362 10 5 EGBERN CN(C)[C@@H](CCNc1nc2ccccc2cc1[N+](=O)[O-])C(F)(F)F ZINC001307205309 1383955953 /nfs/dbraw/zinc/95/59/53/1383955953.db2.gz HDFZLAJYMLXVKV-ZDUSSCGKSA-N 0 0 342.321 3.438 10 5 EGBERN O=[N+]([O-])c1ccccc1NCC1(n2cc(Br)cn2)CC1 ZINC001307203463 1383956243 /nfs/dbraw/zinc/95/62/43/1383956243.db2.gz ABXAEZFGOZHOSS-UHFFFAOYSA-N 0 0 337.177 3.155 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cncc(F)c2)cc1C ZINC001307209798 1383957639 /nfs/dbraw/zinc/95/76/39/1383957639.db2.gz OKPDTZNLBYVPNK-UHFFFAOYSA-N 0 0 333.319 3.226 10 5 EGBERN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1sccc1[N+](=O)[O-] ZINC001307215561 1383958802 /nfs/dbraw/zinc/95/88/02/1383958802.db2.gz IYLUZKVZBRYFNP-JTQLQIEISA-N 0 0 327.406 3.102 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c1 ZINC001307226815 1383960868 /nfs/dbraw/zinc/96/08/68/1383960868.db2.gz FWHFOUBOEJWWEY-UHFFFAOYSA-N 0 0 343.314 3.320 10 5 EGBERN CC(C)c1noc(OCc2cc([N+](=O)[O-])ccc2Br)n1 ZINC001307302540 1383969171 /nfs/dbraw/zinc/96/91/71/1383969171.db2.gz MKFCNBFPZAGARQ-UHFFFAOYSA-N 0 0 342.149 3.443 10 5 EGBERN Cc1noc(COc2cc(F)ccc2Br)c1[N+](=O)[O-] ZINC001307315403 1383970048 /nfs/dbraw/zinc/97/00/48/1383970048.db2.gz URIWEHDXPKAQPC-UHFFFAOYSA-N 0 0 331.097 3.372 10 5 EGBERN Cc1nn(Cc2cccc(Br)c2)c2ncc([N+](=O)[O-])cc12 ZINC001307310302 1383970057 /nfs/dbraw/zinc/97/00/57/1383970057.db2.gz PZDNQZMAJHWIQH-UHFFFAOYSA-N 0 0 347.172 3.459 10 5 EGBERN O=C(COc1cc([N+](=O)[O-])ccc1Br)c1cscn1 ZINC001307331599 1383972858 /nfs/dbraw/zinc/97/28/58/1383972858.db2.gz WUUGOFYWNFLRNV-UHFFFAOYSA-N 0 0 343.158 3.076 10 5 EGBERN CC1(C)C[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC001307334041 1383973038 /nfs/dbraw/zinc/97/30/38/1383973038.db2.gz UTIPIXKLBHVJGY-LBPRGKRZSA-N 0 0 347.371 3.005 10 5 EGBERN COc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c3cccnc23)c1=O ZINC001307379714 1383979315 /nfs/dbraw/zinc/97/93/15/1383979315.db2.gz UEHRPLWWJYBELV-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN O=c1cc(COc2cc(Cl)c([N+](=O)[O-])cc2F)nc(C2CC2)[nH]1 ZINC001307392938 1383981918 /nfs/dbraw/zinc/98/19/18/1383981918.db2.gz IESRKBVLKRBHFH-UHFFFAOYSA-N 0 0 339.710 3.339 10 5 EGBERN C[C@@H]1Cc2cccc(F)c2N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001308019433 1384076402 /nfs/dbraw/zinc/07/64/02/1384076402.db2.gz KVEZXZJSPNWNIC-GFCCVEGCSA-N 0 0 343.358 3.371 10 5 EGBERN O=C(/C=C/c1cccnc1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001169715314 1384177307 /nfs/dbraw/zinc/17/73/07/1384177307.db2.gz MMYPTCZBTGLQCB-ONEGZZNKSA-N 0 0 335.722 3.112 10 5 EGBERN CC(=O)c1nc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC001310763773 1384237502 /nfs/dbraw/zinc/23/75/02/1384237502.db2.gz PMUCRSLOPXPWAF-QMMMGPOBSA-N 0 0 348.384 3.445 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@H](OC)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313119 1384339400 /nfs/dbraw/zinc/33/94/00/1384339400.db2.gz MBOUGNIWNNAMBL-APHBMKBZSA-N 0 0 335.404 3.255 10 5 EGBERN O=[N+]([O-])c1cccc(CN2CCN(c3c(F)cccc3F)CC2)c1 ZINC001171511062 1384547345 /nfs/dbraw/zinc/54/73/45/1384547345.db2.gz OQNFNFRSAJRLGD-UHFFFAOYSA-N 0 0 333.338 3.195 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC12CCCCCC2 ZINC001171737550 1384620033 /nfs/dbraw/zinc/62/00/33/1384620033.db2.gz NUGUKEZWYWOCBY-HNNXBMFYSA-N 0 0 346.431 3.393 10 5 EGBERN CCc1ccc(C(=O)NCC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001175545140 1385327392 /nfs/dbraw/zinc/32/73/92/1385327392.db2.gz XZZFOHPNIIKGJM-UHFFFAOYSA-N 0 0 332.400 3.427 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1csnc1OC ZINC001176769068 1385689967 /nfs/dbraw/zinc/68/99/67/1385689967.db2.gz VNOBMCYLBAXSQO-UHFFFAOYSA-N 0 0 339.398 3.424 10 5 EGBERN CC(C)OC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001176837366 1385718928 /nfs/dbraw/zinc/71/89/28/1385718928.db2.gz MWSZSGVVLBLBFE-UHFFFAOYSA-N 0 0 338.404 3.202 10 5 EGBERN Cc1nccc2c(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)cccc12 ZINC001177507940 1385981975 /nfs/dbraw/zinc/98/19/75/1385981975.db2.gz VVLDMKZNHGNPCA-KRWDZBQOSA-N 0 0 337.335 3.124 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001177587298 1386001352 /nfs/dbraw/zinc/00/13/52/1386001352.db2.gz AYTJVUOKVPETMM-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001177934758 1386087874 /nfs/dbraw/zinc/08/78/74/1386087874.db2.gz VGYDWCFVHDFHHT-PCRYFZAESA-N 0 0 348.399 3.092 10 5 EGBERN Cc1ccc(C(=O)NCc2c[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] ZINC001178115208 1386133952 /nfs/dbraw/zinc/13/39/52/1386133952.db2.gz QMDAXQSKIDTXGW-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN CN(C)c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1Cl ZINC001178455283 1386223088 /nfs/dbraw/zinc/22/30/88/1386223088.db2.gz DKFCZUHUEQCBNP-UHFFFAOYSA-N 0 0 348.790 3.365 10 5 EGBERN Cc1ccc(NC(=O)C(=O)c2ccc(Cl)s2)c(N)c1[N+](=O)[O-] ZINC001179879902 1386616648 /nfs/dbraw/zinc/61/66/48/1386616648.db2.gz UXHDGJXYOYFELV-UHFFFAOYSA-N 0 0 339.760 3.022 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCc3ccccc32)n1 ZINC001329451118 1389115022 /nfs/dbraw/zinc/11/50/22/1389115022.db2.gz UTIJHIVOBHRIAS-CYBMUJFWSA-N 0 0 329.356 3.088 10 5 EGBERN CS[C@@H]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001329773701 1389223497 /nfs/dbraw/zinc/22/34/97/1389223497.db2.gz KRYCSIUCSAFPFP-ZYHUDNBSSA-N 0 0 333.413 3.432 10 5 EGBERN Cc1cncc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)c1Cl ZINC001337099619 1389252546 /nfs/dbraw/zinc/25/25/46/1389252546.db2.gz ITKBUJJDIWGROB-UHFFFAOYSA-N 0 0 336.731 3.187 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC001330035146 1389289997 /nfs/dbraw/zinc/28/99/97/1389289997.db2.gz LZOGTKAGINHLAL-INIZCTEOSA-N 0 0 347.415 3.106 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC001330174270 1389325797 /nfs/dbraw/zinc/32/57/97/1389325797.db2.gz OFBXYTHCLGJRSH-SECBINFHSA-N 0 0 333.262 3.338 10 5 EGBERN CC(C)(CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)n1cccn1 ZINC001330336896 1389390576 /nfs/dbraw/zinc/39/05/76/1389390576.db2.gz ACBTWWIQWRHSKS-UHFFFAOYSA-N 0 0 346.778 3.235 10 5 EGBERN CC(C)(CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)n1ccnc1 ZINC001330338951 1389391661 /nfs/dbraw/zinc/39/16/61/1389391661.db2.gz RUHYOEAWJBUYQO-UHFFFAOYSA-N 0 0 346.778 3.235 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC001330631629 1389477353 /nfs/dbraw/zinc/47/73/53/1389477353.db2.gz NQOMEFDAXCEOKW-ZWKOTPCHSA-N 0 0 340.379 3.241 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330905915 1389559328 /nfs/dbraw/zinc/55/93/28/1389559328.db2.gz VHCDXVFKSUIORR-MXWKQRLJSA-N 0 0 340.326 3.157 10 5 EGBERN C[C@@H](NC(=O)NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001333529670 1390330067 /nfs/dbraw/zinc/33/00/67/1390330067.db2.gz PVJKWPHNBVJDFF-FDMSEYEVSA-N 0 0 325.315 3.143 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836882 1390418916 /nfs/dbraw/zinc/41/89/16/1390418916.db2.gz SISUHLCGLCFHIA-KBPBESRZSA-N 0 0 330.306 3.063 10 5 EGBERN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001333925276 1390440752 /nfs/dbraw/zinc/44/07/52/1390440752.db2.gz BYZKWFQZSUPPTO-UHFFFAOYSA-N 0 0 339.233 3.070 10 5 EGBERN C[C@H](Cc1ccco1)c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001335367880 1390676647 /nfs/dbraw/zinc/67/66/47/1390676647.db2.gz PVPXYGFAPUCSIY-LLVKDONJSA-N 0 0 329.312 3.496 10 5 EGBERN O=C(OC[C@@]12CCC[C@H]1OCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001344315032 1390781308 /nfs/dbraw/zinc/78/13/08/1390781308.db2.gz LURHFFDMHRXDBI-WBVHZDCISA-N 0 0 330.340 3.192 10 5 EGBERN Cc1cc(NC(=O)N2CCO[C@@H](C(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC001344874876 1390821015 /nfs/dbraw/zinc/82/10/15/1390821015.db2.gz ICFGSSMBDZQNQW-GFCCVEGCSA-N 0 0 347.293 3.088 10 5 EGBERN C[C@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1nccn1C ZINC001345078618 1390835759 /nfs/dbraw/zinc/83/57/59/1390835759.db2.gz JDALYAGCGXSZDA-LBPRGKRZSA-N 0 0 329.356 3.054 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCc1ccncc1 ZINC001345643889 1390871606 /nfs/dbraw/zinc/87/16/06/1390871606.db2.gz GIWCOJBNPVOUJY-UHFFFAOYSA-N 0 0 334.759 3.362 10 5 EGBERN CC(C)[C@@H]1COCC[C@@H]1OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001345651817 1390872127 /nfs/dbraw/zinc/87/21/27/1390872127.db2.gz AJXJKEPNEZRIBT-GJZGRUSLSA-N 0 0 339.413 3.291 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@@H](F)C1 ZINC001345656459 1390872922 /nfs/dbraw/zinc/87/29/22/1390872922.db2.gz QEEIOMPSRCIMNA-ZWNOBZJWSA-N 0 0 339.319 3.033 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001345695255 1390877607 /nfs/dbraw/zinc/87/76/07/1390877607.db2.gz SECOVNINDQZXJL-SECBINFHSA-N 0 0 342.273 3.466 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC001346197865 1390914788 /nfs/dbraw/zinc/91/47/88/1390914788.db2.gz OUSKRQOKVOXKHW-GFCCVEGCSA-N 0 0 338.360 3.085 10 5 EGBERN C[C@H](C(=O)OCCCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001346216452 1390916044 /nfs/dbraw/zinc/91/60/44/1390916044.db2.gz DROIIZXURZVUCY-NSHDSACASA-N 0 0 348.321 3.126 10 5 EGBERN COc1ccc(NC(=O)NCC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001347535100 1391089088 /nfs/dbraw/zinc/08/90/88/1391089088.db2.gz NDXHUDWXVJFDNG-MRVPVSSYSA-N 0 0 348.186 3.309 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)COCc1cccc(C)c1 ZINC001347743899 1391118274 /nfs/dbraw/zinc/11/82/74/1391118274.db2.gz SDXNFAHKVAQUKX-UHFFFAOYSA-N 0 0 331.324 3.034 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2C)nn1 ZINC001348438676 1391219267 /nfs/dbraw/zinc/21/92/67/1391219267.db2.gz IVWSVFZBLHYABK-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc(NC(=O)[C@]2(C)OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001348468719 1391224239 /nfs/dbraw/zinc/22/42/39/1391224239.db2.gz NBUGEVGPEDZOHC-GOSISDBHSA-N 0 0 326.352 3.330 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1OCc2ccccc21 ZINC001348654644 1391249041 /nfs/dbraw/zinc/24/90/41/1391249041.db2.gz HZWMKAPACASLMZ-KRWDZBQOSA-N 0 0 344.342 3.054 10 5 EGBERN Cc1cc(C)c(OC(=O)COc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC001348805050 1391269422 /nfs/dbraw/zinc/26/94/22/1391269422.db2.gz APWHLELNKBLLNX-UHFFFAOYSA-N 0 0 337.278 3.474 10 5 EGBERN CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001349071156 1391300825 /nfs/dbraw/zinc/30/08/25/1391300825.db2.gz CTTXCKGXZVEHHJ-DNVCBOLYSA-N 0 0 345.443 3.460 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001349825509 1391372704 /nfs/dbraw/zinc/37/27/04/1391372704.db2.gz LIKUYDDDRIEREF-GJZGRUSLSA-N 0 0 332.400 3.161 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(NC(=O)C2CC2)s1 ZINC001349887466 1391381408 /nfs/dbraw/zinc/38/14/08/1391381408.db2.gz ZPMLUBWDZMSQIO-UHFFFAOYSA-N 0 0 349.343 3.396 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001349950347 1391389615 /nfs/dbraw/zinc/38/96/15/1391389615.db2.gz BVOTVWRTNVHFKE-CYBMUJFWSA-N 0 0 328.324 3.072 10 5 EGBERN Cc1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])nc1 ZINC001350204750 1391430175 /nfs/dbraw/zinc/43/01/75/1391430175.db2.gz JDTDWEIZSDEART-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CC(=O)Nc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001350248200 1391436640 /nfs/dbraw/zinc/43/66/40/1391436640.db2.gz NXBYGDHGCJUHRI-UHFFFAOYSA-N 0 0 327.340 3.422 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)Cc2ccccc2Cl)n1 ZINC001350576546 1391483617 /nfs/dbraw/zinc/48/36/17/1391483617.db2.gz VUNBRHVUGBDICI-SNVBAGLBSA-N 0 0 333.775 3.313 10 5 EGBERN COC(=O)Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001350777615 1391529866 /nfs/dbraw/zinc/52/98/66/1391529866.db2.gz ZXFXDOKRJAVLKD-UHFFFAOYSA-N 0 0 343.335 3.146 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCO[C@H](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001350914606 1391557146 /nfs/dbraw/zinc/55/71/46/1391557146.db2.gz BRSQNXWCMHZEMQ-AWEZNQCLSA-N 0 0 338.379 3.320 10 5 EGBERN Cc1cc(NC(=O)C2(C(C)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001351258674 1391618162 /nfs/dbraw/zinc/61/81/62/1391618162.db2.gz LBEKQHRVRCZPKC-UHFFFAOYSA-N 0 0 335.310 3.247 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001351310993 1391624737 /nfs/dbraw/zinc/62/47/37/1391624737.db2.gz INQCJFZKTJLXMT-HNNXBMFYSA-N 0 0 339.351 3.107 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001351479250 1391643244 /nfs/dbraw/zinc/64/32/44/1391643244.db2.gz KLLNLSJPWCRVOE-UHFFFAOYSA-N 0 0 328.324 3.251 10 5 EGBERN CN(C(=O)[C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC001351683114 1391670201 /nfs/dbraw/zinc/67/02/01/1391670201.db2.gz IZZWTOGFPCSHBG-CQSZACIVSA-N 0 0 330.315 3.263 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001352183293 1391769895 /nfs/dbraw/zinc/76/98/95/1391769895.db2.gz LYEPZMQFMGBCOP-UHFFFAOYSA-N 0 0 345.742 3.156 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC001352375964 1391790274 /nfs/dbraw/zinc/79/02/74/1391790274.db2.gz TXLKXXUFUVRBAO-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(F)ccc1Br ZINC001352705130 1391834988 /nfs/dbraw/zinc/83/49/88/1391834988.db2.gz YDFJPKULROSLNR-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN COc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001352981223 1391902505 /nfs/dbraw/zinc/90/25/05/1391902505.db2.gz OQVSTSOZQCHDBG-UHFFFAOYSA-N 0 0 343.383 3.058 10 5 EGBERN O=C(Cc1coc2c1ccc(F)c2F)NCc1cccc([N+](=O)[O-])c1 ZINC001353681093 1392066731 /nfs/dbraw/zinc/06/67/31/1392066731.db2.gz GJWBHEPBWPICRT-UHFFFAOYSA-N 0 0 346.289 3.478 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2-n2cccn2)c1C ZINC001353839253 1392101587 /nfs/dbraw/zinc/10/15/87/1392101587.db2.gz VMMGUCVONZWINZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc([S@](C)=O)c1 ZINC001353860760 1392103112 /nfs/dbraw/zinc/10/31/12/1392103112.db2.gz NYGJRGOLZWRUFB-QHCPKHFHSA-N 0 0 336.344 3.032 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001353901591 1392106875 /nfs/dbraw/zinc/10/68/75/1392106875.db2.gz VMJGZAXFAHNNBU-CQSZACIVSA-N 0 0 340.379 3.398 10 5 EGBERN CN(C)c1ccccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001354025165 1392116356 /nfs/dbraw/zinc/11/63/56/1392116356.db2.gz BOBALERYRIKINK-UHFFFAOYSA-N 0 0 331.347 3.371 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ncccc1-c1ccccn1 ZINC001354043506 1392118166 /nfs/dbraw/zinc/11/81/66/1392118166.db2.gz CPBWWSSHBPCRIF-UHFFFAOYSA-N 0 0 348.362 3.324 10 5 EGBERN O=C(NCc1ccc(F)cc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001354354031 1392139549 /nfs/dbraw/zinc/13/95/49/1392139549.db2.gz HEJUMOZGQPAPRZ-LSDHHAIUSA-N 0 0 332.306 3.293 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCOC1CCCC1 ZINC001354713487 1392163309 /nfs/dbraw/zinc/16/33/09/1392163309.db2.gz KMHKHIFPXDGWSN-UHFFFAOYSA-N 0 0 340.807 3.256 10 5 EGBERN Cc1c(NC(=O)c2ncc3cc(Cl)ccn32)cccc1[N+](=O)[O-] ZINC001355016648 1392185946 /nfs/dbraw/zinc/18/59/46/1392185946.db2.gz WQRXYMOESCPBNC-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCc2ccccc21 ZINC001355089474 1392192569 /nfs/dbraw/zinc/19/25/69/1392192569.db2.gz WXDVMQMKEKOLQM-UHFFFAOYSA-N 0 0 348.362 3.043 10 5 EGBERN Cc1nc(NC(=O)c2cc3c(ccnc3Cl)o2)ccc1[N+](=O)[O-] ZINC001355099774 1392193485 /nfs/dbraw/zinc/19/34/85/1392193485.db2.gz QRBAJEPHCJKINU-UHFFFAOYSA-N 0 0 332.703 3.345 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCSc2ccccc2)n1 ZINC001355197572 1392197491 /nfs/dbraw/zinc/19/74/91/1392197491.db2.gz UKMABSKNSMDWSV-UHFFFAOYSA-N 0 0 331.397 3.210 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCC2(CC2)C1 ZINC001479424061 1392241545 /nfs/dbraw/zinc/24/15/45/1392241545.db2.gz OSVJYZAQEZHKLE-ZDUSSCGKSA-N 0 0 332.404 3.029 10 5 EGBERN C/C(=C/C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001481161680 1393138632 /nfs/dbraw/zinc/13/86/32/1393138632.db2.gz SXSRTVIUBVHRCI-OWBHPGMISA-N 0 0 343.427 3.032 10 5 EGBERN CCC1(C(=O)NCCN(C)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC001690213041 1404420487 /nfs/dbraw/zinc/42/04/87/1404420487.db2.gz JHNCMCGGNBNGNU-UHFFFAOYSA-N 0 0 333.432 3.426 10 5 EGBERN CCN(CCNC(=O)c1oc(C)cc1C)Cc1ccccc1[N+](=O)[O-] ZINC001691014527 1404930752 /nfs/dbraw/zinc/93/07/52/1404930752.db2.gz XPGYSZHUBCICRQ-UHFFFAOYSA-N 0 0 345.399 3.057 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC)OC ZINC001695317802 1406090406 /nfs/dbraw/zinc/09/04/06/1406090406.db2.gz NZRLKWCAVKJLLR-OAHLLOKOSA-N 0 0 347.419 3.125 10 5 EGBERN Cc1ccccc1C(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001732575939 1428776379 /nfs/dbraw/zinc/77/63/79/1428776379.db2.gz GMRFSVRGMJKAOP-UHFFFAOYSA-N 0 0 347.440 3.169 10 5 EGBERN CCCC1(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001732591917 1428815889 /nfs/dbraw/zinc/81/58/89/1428815889.db2.gz VOJRETQRFKZNBO-UHFFFAOYSA-N 0 0 333.432 3.065 10 5 EGBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1CCCC1 ZINC001707861398 1417384375 /nfs/dbraw/zinc/38/43/75/1417384375.db2.gz HAYLONORPRNMPY-UHFFFAOYSA-N 0 0 329.404 3.321 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CC1(C)CC1 ZINC001707867159 1417385221 /nfs/dbraw/zinc/38/52/21/1417385221.db2.gz SBMSQAFSXCCGQH-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN Cc1cc(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001715516060 1420201595 /nfs/dbraw/zinc/20/15/95/1420201595.db2.gz YHEGVSUSOFHHKU-UHFFFAOYSA-N 0 0 345.399 3.009 10 5 EGBERN Cc1cc(C)c(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001731773184 1427887767 /nfs/dbraw/zinc/88/77/67/1427887767.db2.gz SAHWGECDLWEHQZ-UHFFFAOYSA-N 0 0 347.440 3.135 10 5 EGBERN CCCCCCOc1c(C=O)c([N+](=O)[O-])c(OC)cc1[N+](=O)[O-] ZINC000098178714 219086752 /nfs/dbraw/zinc/08/67/52/219086752.db2.gz KXMLCIDAYYTIOJ-UHFFFAOYSA-N 0 0 326.305 3.283 10 5 EGBERN CC(C)[C@H](NC(=O)C1CCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718483 219158831 /nfs/dbraw/zinc/15/88/31/219158831.db2.gz VSPAWWRANMYTLZ-AWEZNQCLSA-N 0 0 344.371 3.258 10 5 EGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003569868 210057270 /nfs/dbraw/zinc/05/72/70/210057270.db2.gz CXBZZDIFCWCENN-QPJJXVBHSA-N 0 0 331.259 3.294 10 5 EGBERN Cc1cc(C)n(-c2ncnc(Nc3ccc(F)cc3F)c2[N+](=O)[O-])n1 ZINC000040661086 213364990 /nfs/dbraw/zinc/36/49/90/213364990.db2.gz QLYKNVWZTQIIFI-UHFFFAOYSA-N 0 0 346.297 3.209 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCCC1 ZINC000040609337 213358154 /nfs/dbraw/zinc/35/81/54/213358154.db2.gz DAIYJRQOHZBFRF-UHFFFAOYSA-N 0 0 333.779 3.251 10 5 EGBERN CCNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040596555 213356836 /nfs/dbraw/zinc/35/68/36/213356836.db2.gz FYAOOYYTHAMAJJ-UHFFFAOYSA-N 0 0 343.265 3.459 10 5 EGBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCc2ccccc21 ZINC000040586238 213355697 /nfs/dbraw/zinc/35/56/97/213355697.db2.gz NXHGSECTUIBJRO-UHFFFAOYSA-N 0 0 325.372 3.434 10 5 EGBERN Cc1c(Cc2noc(-c3cnn4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000371985171 168683473 /nfs/dbraw/zinc/68/34/73/168683473.db2.gz MUCJJOMUGGQYFR-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000181950668 234391553 /nfs/dbraw/zinc/39/15/53/234391553.db2.gz USTBYITUFOVKRF-JOYOIKCWSA-N 0 0 344.820 3.024 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000183767132 235219979 /nfs/dbraw/zinc/21/99/79/235219979.db2.gz OWVUXLIGLZNAEW-SECBINFHSA-N 0 0 336.417 3.407 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1[N+](=O)[O-] ZINC000189253041 236806712 /nfs/dbraw/zinc/80/67/12/236806712.db2.gz AYTZXPFKOOCNQZ-UHFFFAOYSA-N 0 0 345.384 3.383 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)cn1 ZINC000072068597 216002321 /nfs/dbraw/zinc/00/23/21/216002321.db2.gz YSOZVSTVERZCGK-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000072203798 216069777 /nfs/dbraw/zinc/06/97/77/216069777.db2.gz GQVYXXWSRRLWHI-NEPJUHHUSA-N 0 0 336.392 3.238 10 5 EGBERN COc1cccc(-c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)c1 ZINC000072237782 216076024 /nfs/dbraw/zinc/07/60/24/216076024.db2.gz FSPVABVSZBKPEN-UHFFFAOYSA-N 0 0 326.312 3.064 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccoc1)C1CCCCC1 ZINC000129469829 223059144 /nfs/dbraw/zinc/05/91/44/223059144.db2.gz CWIDWLQZHKYJPG-UHFFFAOYSA-N 0 0 346.387 3.136 10 5 EGBERN CC(C)(C)S(=O)(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000113932 209429474 /nfs/dbraw/zinc/42/94/74/209429474.db2.gz GMSGAECHCFSAQK-UHFFFAOYSA-N 0 0 340.426 3.432 10 5 EGBERN O=[N+]([O-])c1cc(-c2ccnc3nc(Cc4ccccc4)nn32)ccc1F ZINC000072451413 216239468 /nfs/dbraw/zinc/23/94/68/216239468.db2.gz WKALIKYDCSBBAC-UHFFFAOYSA-N 0 0 349.325 3.429 10 5 EGBERN Cc1cc(C[C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000190189581 238283349 /nfs/dbraw/zinc/28/33/49/238283349.db2.gz QKZSNKHYNDABNW-NSHDSACASA-N 0 0 330.388 3.111 10 5 EGBERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000191937500 239392350 /nfs/dbraw/zinc/39/23/50/239392350.db2.gz IENNADSCEVTHCS-SCZZXKLOSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1ncc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000109376640 219968564 /nfs/dbraw/zinc/96/85/64/219968564.db2.gz XEICQKZIVFWUES-VIFPVBQESA-N 0 0 326.399 3.036 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000183632147 241582260 /nfs/dbraw/zinc/58/22/60/241582260.db2.gz SKXDMNSUYCNQJD-MRXNPFEDSA-N 0 0 339.395 3.336 10 5 EGBERN COc1cccc(C(=O)N(CC2CC2)c2cccnc2)c1[N+](=O)[O-] ZINC000225507885 241905136 /nfs/dbraw/zinc/90/51/36/241905136.db2.gz UKVFRQAMXYZSBA-UHFFFAOYSA-N 0 0 327.340 3.055 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345678102 284262835 /nfs/dbraw/zinc/26/28/35/284262835.db2.gz NAXBDVXAPOZXHV-HOTGVXAUSA-N 0 0 333.347 3.429 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000080983584 217346315 /nfs/dbraw/zinc/34/63/15/217346315.db2.gz XRZWROWFNBLANM-SJORKVTESA-N 0 0 326.352 3.163 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377354376 169013745 /nfs/dbraw/zinc/01/37/45/169013745.db2.gz KKKFWZXZQYGLBQ-QZTJIDSGSA-N 0 0 340.379 3.174 10 5 EGBERN C[C@@H]1CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000408407870 169174744 /nfs/dbraw/zinc/17/47/44/169174744.db2.gz WVGKWYLMVMILGC-UONOGXRCSA-N 0 0 331.416 3.456 10 5 EGBERN C[C@@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(C)(C)C1 ZINC000408168025 169162419 /nfs/dbraw/zinc/16/24/19/169162419.db2.gz ZSDXHXDEMMTTEQ-OLZOCXBDSA-N 0 0 331.416 3.337 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000011644774 211230209 /nfs/dbraw/zinc/23/02/09/211230209.db2.gz YMTUYHUAKZUVTN-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN CCCn1c(C)cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1C ZINC000008684995 210979437 /nfs/dbraw/zinc/97/94/37/210979437.db2.gz HHHZZOOKNFYITI-UHFFFAOYSA-N 0 0 331.372 3.388 10 5 EGBERN O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000008673524 210979993 /nfs/dbraw/zinc/97/99/93/210979993.db2.gz DENVQZMLZYRPJW-UHFFFAOYSA-N 0 0 344.352 3.278 10 5 EGBERN C[C@@H](N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000178245411 533011127 /nfs/dbraw/zinc/01/11/27/533011127.db2.gz QZEJLBBYIVQSER-NWDGAFQWSA-N 0 0 331.338 3.224 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000153562559 224122813 /nfs/dbraw/zinc/12/28/13/224122813.db2.gz KCPFCKJNFFFYLR-JTQLQIEISA-N 0 0 348.378 3.485 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153595906 224127530 /nfs/dbraw/zinc/12/75/30/224127530.db2.gz RSSBLRLQYNFMCV-GFCCVEGCSA-N 0 0 344.415 3.275 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\c1ccccc1)O2 ZINC000027534108 285144371 /nfs/dbraw/zinc/14/43/71/285144371.db2.gz XQVIZLRGNRAZBX-GQEMFKIVSA-N 0 0 338.363 3.402 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000360075962 291944028 /nfs/dbraw/zinc/94/40/28/291944028.db2.gz WCNNEDCWSXVCRC-GDZNZVCISA-N 0 0 338.379 3.205 10 5 EGBERN Cn1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000119040961 221230288 /nfs/dbraw/zinc/23/02/88/221230288.db2.gz IJFNDDGIDZHTRW-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000119264993 221280196 /nfs/dbraw/zinc/28/01/96/221280196.db2.gz GGKPZDLDBXJRCW-ZDUSSCGKSA-N 0 0 348.399 3.097 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000185447015 533405881 /nfs/dbraw/zinc/40/58/81/533405881.db2.gz KRABMMPSACEYAB-FQNOHDAGSA-N 0 0 340.383 3.127 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1cccnc1 ZINC000103375930 140873176 /nfs/dbraw/zinc/87/31/76/140873176.db2.gz AEDCQBAQRMRGCL-LBPRGKRZSA-N 0 0 343.408 3.201 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000338043543 141079817 /nfs/dbraw/zinc/07/98/17/141079817.db2.gz SZVYTQMYTZZTTQ-UHFFFAOYSA-N 0 0 332.331 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000338061332 141085399 /nfs/dbraw/zinc/08/53/99/141085399.db2.gz YYQOKPMXLJFHDC-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCC1CCOCC1 ZINC000347890468 141210967 /nfs/dbraw/zinc/21/09/67/141210967.db2.gz JLSIEFDVTAMSDJ-CYBMUJFWSA-N 0 0 332.400 3.469 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000350721638 141262493 /nfs/dbraw/zinc/26/24/93/141262493.db2.gz VZYAOTNOGZSTCD-GHMZBOCLSA-N 0 0 346.305 3.198 10 5 EGBERN O=[N+]([O-])c1ncccc1Oc1ncnc2ccc(Br)cc21 ZINC000112963587 296522288 /nfs/dbraw/zinc/52/22/88/296522288.db2.gz ODKUEUCVHTZHEC-UHFFFAOYSA-N 0 0 347.128 3.488 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356342008 141344140 /nfs/dbraw/zinc/34/41/40/141344140.db2.gz LSHYUOIEWDOOBN-UHFFFAOYSA-N 0 0 337.339 3.071 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000356827480 141349982 /nfs/dbraw/zinc/34/99/82/141349982.db2.gz APYUFCPSERUQDW-UHFFFAOYSA-N 0 0 345.355 3.181 10 5 EGBERN COc1cc(NCc2ccnc(OC(F)F)c2)c([N+](=O)[O-])cc1F ZINC000343138024 142641548 /nfs/dbraw/zinc/64/15/48/142641548.db2.gz GNOZTQIQQDWHMU-UHFFFAOYSA-N 0 0 343.261 3.351 10 5 EGBERN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000107511514 143944847 /nfs/dbraw/zinc/94/48/47/143944847.db2.gz MIMCQWMYAILVED-UHFFFAOYSA-N 0 0 335.385 3.079 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000171946968 144013586 /nfs/dbraw/zinc/01/35/86/144013586.db2.gz NXCUSDMRUOBXBD-UHFFFAOYSA-N 0 0 327.340 3.339 10 5 EGBERN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000172098171 144015742 /nfs/dbraw/zinc/01/57/42/144015742.db2.gz GXQFXPNSWWDDSU-LBPRGKRZSA-N 0 0 328.372 3.089 10 5 EGBERN Cc1cc(C)n([C@H](C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000172415161 144020829 /nfs/dbraw/zinc/02/08/29/144020829.db2.gz VLCWYWISHFPYAX-OAHLLOKOSA-N 0 0 344.415 3.108 10 5 EGBERN Cc1nnc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378786 144040124 /nfs/dbraw/zinc/04/01/24/144040124.db2.gz RCXDRMDOBXXMFJ-SJKOYZFVSA-N 0 0 337.383 3.462 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000173663783 144046260 /nfs/dbraw/zinc/04/62/60/144046260.db2.gz UFFOEQGFVQWVTD-SNVBAGLBSA-N 0 0 349.774 3.149 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000178672111 144074713 /nfs/dbraw/zinc/07/47/13/144074713.db2.gz MDKNIAIEPWJFES-AWEZNQCLSA-N 0 0 345.424 3.308 10 5 EGBERN O=C(Nc1nnc(C2CCC2)[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000184585815 144095237 /nfs/dbraw/zinc/09/52/37/144095237.db2.gz LBAXNASVSLXEJG-UHFFFAOYSA-N 0 0 343.368 3.447 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184944924 144101385 /nfs/dbraw/zinc/10/13/85/144101385.db2.gz RZCBEPWTOSURJW-HZMBPMFUSA-N 0 0 344.371 3.087 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1ccnc2cc(F)cnc21 ZINC000343219624 144196401 /nfs/dbraw/zinc/19/64/01/144196401.db2.gz FGNHJJQSAVUSCQ-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000344634408 144202952 /nfs/dbraw/zinc/20/29/52/144202952.db2.gz KIMMECMZTIJTRN-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN CCOC(=O)c1c(C)onc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000351572465 144282071 /nfs/dbraw/zinc/28/20/71/144282071.db2.gz DJELRJSXLOXEDP-NSHDSACASA-N 0 0 347.371 3.227 10 5 EGBERN CCOc1cc(C(=O)N[C@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000351693812 144291333 /nfs/dbraw/zinc/29/13/33/144291333.db2.gz PMCPLCYUIRLWOT-YIZWMMSDSA-N 0 0 348.399 3.311 10 5 EGBERN COc1cc(Cn2cnc3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] ZINC000351841933 144315477 /nfs/dbraw/zinc/31/54/77/144315477.db2.gz VDHWPEHLAADVGN-UHFFFAOYSA-N 0 0 345.742 3.015 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](COc3ccccc3)C2)c(F)c1 ZINC000361660565 144345940 /nfs/dbraw/zinc/34/59/40/144345940.db2.gz LBEZDFRVQJMADG-KRWDZBQOSA-N 0 0 346.358 3.014 10 5 EGBERN Cc1c(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000369995910 144464338 /nfs/dbraw/zinc/46/43/38/144464338.db2.gz MAHQRHYIQGSXHW-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCC2 ZINC000374819548 144558145 /nfs/dbraw/zinc/55/81/45/144558145.db2.gz NYFLTDBBWBYTLZ-AWEZNQCLSA-N 0 0 331.397 3.476 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374840965 144558887 /nfs/dbraw/zinc/55/88/87/144558887.db2.gz FLEBTCGOJFYNPL-HNNXBMFYSA-N 0 0 345.424 3.486 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CC1CCC1 ZINC000341382349 155260593 /nfs/dbraw/zinc/26/05/93/155260593.db2.gz LUNMIMPBSVQMSF-HNNXBMFYSA-N 0 0 338.791 3.279 10 5 EGBERN COc1cc(N2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000268259418 286230067 /nfs/dbraw/zinc/23/00/67/286230067.db2.gz YWTOPFQTEDIFCD-QGZVFWFLSA-N 0 0 332.331 3.320 10 5 EGBERN CC(C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 ZINC000116234054 152049915 /nfs/dbraw/zinc/04/99/15/152049915.db2.gz YYGKSYICNZJGAE-UHFFFAOYSA-N 0 0 330.369 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117576397 152104604 /nfs/dbraw/zinc/10/46/04/152104604.db2.gz QAYVCPVVGCJXAF-QFYYESIMSA-N 0 0 329.308 3.074 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC=C(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000117989845 152122968 /nfs/dbraw/zinc/12/29/68/152122968.db2.gz OSHSSOMYEMNQSQ-UHFFFAOYSA-N 0 0 346.412 3.261 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2c1C ZINC000118200648 152129111 /nfs/dbraw/zinc/12/91/11/152129111.db2.gz MPXQKJGDNAGLFM-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN COc1ccc2c(c1)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCO2 ZINC000341541177 155344881 /nfs/dbraw/zinc/34/48/81/155344881.db2.gz FQVPLCSHLFIZPY-OAHLLOKOSA-N 0 0 344.367 3.225 10 5 EGBERN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000120347062 152268952 /nfs/dbraw/zinc/26/89/52/152268952.db2.gz JPEJOSAPKQOTJS-UHFFFAOYSA-N 0 0 325.324 3.317 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153308607 152533592 /nfs/dbraw/zinc/53/35/92/152533592.db2.gz AFZUXDQAKPGFPE-GFCCVEGCSA-N 0 0 344.415 3.275 10 5 EGBERN O=C(NCc1ncc(-c2ccccc2)cn1)Nc1cccc([N+](=O)[O-])c1 ZINC000185910454 152994136 /nfs/dbraw/zinc/99/41/36/152994136.db2.gz JNOQQVYSIKSCOS-UHFFFAOYSA-N 0 0 349.350 3.374 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1oc(CC(C)C)nc1C ZINC000188636458 153026168 /nfs/dbraw/zinc/02/61/68/153026168.db2.gz YCYOSLVJKGCABO-UHFFFAOYSA-N 0 0 347.371 3.028 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189744337 153095250 /nfs/dbraw/zinc/09/52/50/153095250.db2.gz ZSYPLJKOECZELN-CYBMUJFWSA-N 0 0 341.415 3.079 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000190464101 153143347 /nfs/dbraw/zinc/14/33/47/153143347.db2.gz CMHJBCHAWAWALQ-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN CSc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000193589703 153296954 /nfs/dbraw/zinc/29/69/54/153296954.db2.gz TWKDLWIINLPIED-TZMCWYRMSA-N 0 0 336.413 3.100 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000193809516 153307672 /nfs/dbraw/zinc/30/76/72/153307672.db2.gz BDJYXIFAFHYLIU-AWEZNQCLSA-N 0 0 339.395 3.257 10 5 EGBERN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112180 154176963 /nfs/dbraw/zinc/17/69/63/154176963.db2.gz HBWGKCLEVQBMQK-QWHCGFSZSA-N 0 0 329.404 3.325 10 5 EGBERN O=C(CCN(CC(F)F)CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337303163 154270683 /nfs/dbraw/zinc/27/06/83/154270683.db2.gz QEXYOUFRCOMHJC-UHFFFAOYSA-N 0 0 341.358 3.291 10 5 EGBERN COc1c(C)cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000337606788 154442814 /nfs/dbraw/zinc/44/28/14/154442814.db2.gz RNHRLZKNVGHPPR-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN CCCc1nc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)co1 ZINC000337753626 154523905 /nfs/dbraw/zinc/52/39/05/154523905.db2.gz ANQBCJDOMBCGCP-UHFFFAOYSA-N 0 0 340.339 3.066 10 5 EGBERN Cc1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000339186296 154741089 /nfs/dbraw/zinc/74/10/89/154741089.db2.gz GGKQBKJYECZXTB-MRXNPFEDSA-N 0 0 340.379 3.476 10 5 EGBERN CSCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341727397 155445840 /nfs/dbraw/zinc/44/58/40/155445840.db2.gz NYAVXTDEVLPTTF-UHFFFAOYSA-N 0 0 333.207 3.439 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341064572 155131467 /nfs/dbraw/zinc/13/14/67/155131467.db2.gz MXEFWHKHUWREOK-CYBMUJFWSA-N 0 0 348.362 3.498 10 5 EGBERN COc1c(F)ccc(F)c1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341772639 155468863 /nfs/dbraw/zinc/46/88/63/155468863.db2.gz YBVLGPRADCIPJX-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000342955807 155598162 /nfs/dbraw/zinc/59/81/62/155598162.db2.gz YVOZOAOTRXHOLZ-HKCMKHECSA-N 0 0 335.404 3.015 10 5 EGBERN COc1ccc(NC(=O)c2cc(-n3cccc3)ccn2)cc1[N+](=O)[O-] ZINC000345357379 156067475 /nfs/dbraw/zinc/06/74/75/156067475.db2.gz WBNDSYISGIXVQU-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN C[C@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000345369505 156072858 /nfs/dbraw/zinc/07/28/58/156072858.db2.gz MYPIZWFNECVCBN-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000346891989 156182872 /nfs/dbraw/zinc/18/28/72/156182872.db2.gz DZRRAMSVLZSWSQ-CQSZACIVSA-N 0 0 343.305 3.322 10 5 EGBERN COc1cc(CN2CCC23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000352613827 156381399 /nfs/dbraw/zinc/38/13/99/156381399.db2.gz ZBWALDHZVPQUFP-UHFFFAOYSA-N 0 0 342.342 3.376 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000359963259 156855587 /nfs/dbraw/zinc/85/55/87/156855587.db2.gz IUTGHJOKOSOTEY-GJZGRUSLSA-N 0 0 342.351 3.354 10 5 EGBERN COc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000362057414 157003238 /nfs/dbraw/zinc/00/32/38/157003238.db2.gz KWQCZNVUNCMMRW-UHFFFAOYSA-N 0 0 330.218 3.468 10 5 EGBERN C[C@@H](c1cccs1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327510 161578754 /nfs/dbraw/zinc/57/87/54/161578754.db2.gz KIHALTAYVPBVTG-QMMMGPOBSA-N 0 0 332.428 3.100 10 5 EGBERN C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327512 161578784 /nfs/dbraw/zinc/57/87/84/161578784.db2.gz ZNLIDLIQICUBOK-SECBINFHSA-N 0 0 344.389 3.177 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccc(OC)nc3)no2)cc1[N+](=O)[O-] ZINC000109588377 162106780 /nfs/dbraw/zinc/10/67/80/162106780.db2.gz CONZYOZVHQEZLE-UHFFFAOYSA-N 0 0 342.311 3.114 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438022 162232436 /nfs/dbraw/zinc/23/24/36/162232436.db2.gz ANZZQJWWCFMPNR-SFHVURJKSA-N 0 0 340.383 3.434 10 5 EGBERN CSCCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125657810 162283691 /nfs/dbraw/zinc/28/36/91/162283691.db2.gz YRCRKZCFLOTSOK-JTQLQIEISA-N 0 0 346.836 3.275 10 5 EGBERN O=C(C[C@H]1COCCN1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000134155212 162482995 /nfs/dbraw/zinc/48/29/95/162482995.db2.gz UYBNVZBRLWDPGG-HNNXBMFYSA-N 0 0 346.408 3.130 10 5 EGBERN O=C(COc1ccsc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000337076487 163123339 /nfs/dbraw/zinc/12/33/39/163123339.db2.gz CHBZRWJHQQMLRQ-UHFFFAOYSA-N 0 0 332.381 3.226 10 5 EGBERN Cc1cc(NC[C@]2(CCO)CCOC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338678956 163316621 /nfs/dbraw/zinc/31/66/21/163316621.db2.gz DEHHCJSZOUXGQZ-AWEZNQCLSA-N 0 0 348.321 3.123 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000338842870 163361248 /nfs/dbraw/zinc/36/12/48/163361248.db2.gz XVZMJAALBHRNNS-NUEKZKHPSA-N 0 0 334.351 3.069 10 5 EGBERN COc1ncc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000340884345 163686754 /nfs/dbraw/zinc/68/67/54/163686754.db2.gz QCEWNQFDHSDMDK-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN COc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000343647148 164002820 /nfs/dbraw/zinc/00/28/20/164002820.db2.gz YRNWVIRPQRIAMQ-GFCCVEGCSA-N 0 0 344.367 3.012 10 5 EGBERN Cc1cscc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344144132 164113775 /nfs/dbraw/zinc/11/37/75/164113775.db2.gz ORSFEJMTJBOCOY-UHFFFAOYSA-N 0 0 326.324 3.102 10 5 EGBERN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1)c1ccncc1 ZINC000344446107 164181191 /nfs/dbraw/zinc/18/11/91/164181191.db2.gz ZIGLAFUVLQQIIT-UHFFFAOYSA-N 0 0 349.350 3.249 10 5 EGBERN C[C@H](NC(=O)NCC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344455312 164182711 /nfs/dbraw/zinc/18/27/11/164182711.db2.gz SOSHPOCFBDLHEA-VIFPVBQESA-N 0 0 331.294 3.298 10 5 EGBERN Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000344605355 164199055 /nfs/dbraw/zinc/19/90/55/164199055.db2.gz NUQQYKJUMNODBE-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)onc1CC ZINC000354842296 166046007 /nfs/dbraw/zinc/04/60/07/166046007.db2.gz JNWVAGNSNXDUFE-UHFFFAOYSA-N 0 0 349.412 3.496 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1coc(-c2ccc(F)cc2)n1 ZINC000345942608 164300509 /nfs/dbraw/zinc/30/05/09/164300509.db2.gz VEZQWHJAUCBLGB-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000345944431 164300923 /nfs/dbraw/zinc/30/09/23/164300923.db2.gz WTLSYQAILIDEFD-UHFFFAOYSA-N 0 0 348.296 3.452 10 5 EGBERN Cc1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nn1C ZINC000346055323 164327073 /nfs/dbraw/zinc/32/70/73/164327073.db2.gz DTZLGUBMLBVXNG-UHFFFAOYSA-N 0 0 328.372 3.226 10 5 EGBERN Cc1cccc([C@@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C(C)C)c1 ZINC000347427885 164499586 /nfs/dbraw/zinc/49/95/86/164499586.db2.gz YMHZWQIOMROIMR-AWEZNQCLSA-N 0 0 341.371 3.475 10 5 EGBERN O=c1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)c2ccccc2[nH]1 ZINC000347564003 164521801 /nfs/dbraw/zinc/52/18/01/164521801.db2.gz GTFBYBXQWMIWLC-UHFFFAOYSA-N 0 0 348.318 3.489 10 5 EGBERN COc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cn1 ZINC000348460320 164745692 /nfs/dbraw/zinc/74/56/92/164745692.db2.gz YWRKGSZQWUJHFD-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000350312047 165028346 /nfs/dbraw/zinc/02/83/46/165028346.db2.gz LZMOALJIWNAORX-UHFFFAOYSA-N 0 0 341.367 3.149 10 5 EGBERN COc1cc(CNc2ccc(C(=O)N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000352034409 165202151 /nfs/dbraw/zinc/20/21/51/165202151.db2.gz BBNQCXGZPGLFGY-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN COC(=O)[C@@H](OC)c1ccccc1OCc1ccccc1[N+](=O)[O-] ZINC000352058761 165214284 /nfs/dbraw/zinc/21/42/84/165214284.db2.gz GHQBOELDOSKYDU-INIZCTEOSA-N 0 0 331.324 3.034 10 5 EGBERN Cc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)o1 ZINC000353415199 165761794 /nfs/dbraw/zinc/76/17/94/165761794.db2.gz FHBJLUQMVHDGJD-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000353482886 165775327 /nfs/dbraw/zinc/77/53/27/165775327.db2.gz PEJJTQHMVLNQOH-NWDGAFQWSA-N 0 0 330.306 3.232 10 5 EGBERN Cc1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000355175940 166124041 /nfs/dbraw/zinc/12/40/41/166124041.db2.gz KETLKRKKVIOVOF-KZULUSFZSA-N 0 0 334.416 3.210 10 5 EGBERN COc1ccc(NC(=O)c2oc(CC3CC3)nc2C)cc1[N+](=O)[O-] ZINC000355872915 166334154 /nfs/dbraw/zinc/33/41/54/166334154.db2.gz ZLMRBKFJZKUGPF-UHFFFAOYSA-N 0 0 331.328 3.105 10 5 EGBERN CCOc1ccc(-c2nc(-c3cc(C)ccn3)no2)cc1[N+](=O)[O-] ZINC000355900275 166342820 /nfs/dbraw/zinc/34/28/20/166342820.db2.gz MJDREVFSNKCZKU-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)cs1 ZINC000355949814 166357762 /nfs/dbraw/zinc/35/77/62/166357762.db2.gz WULGLOBUWIIZSJ-CQSZACIVSA-N 0 0 335.360 3.476 10 5 EGBERN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCCc2cccnc21 ZINC000356038031 166382315 /nfs/dbraw/zinc/38/23/15/166382315.db2.gz FUJFXMKTISMCCJ-OAHLLOKOSA-N 0 0 328.372 3.248 10 5 EGBERN C[C@]12CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000358554874 166898318 /nfs/dbraw/zinc/89/83/18/166898318.db2.gz LYPIUDGSIVKZJA-OCCSQVGLSA-N 0 0 342.367 3.191 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(C2CC2)cc1F ZINC000358927039 167008067 /nfs/dbraw/zinc/00/80/67/167008067.db2.gz GQBKMPWBTWCJAE-UHFFFAOYSA-N 0 0 328.343 3.470 10 5 EGBERN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)n2C2CC2)cn1 ZINC000358934997 167012580 /nfs/dbraw/zinc/01/25/80/167012580.db2.gz PQWBHSTYJXCBDS-UHFFFAOYSA-N 0 0 340.368 3.129 10 5 EGBERN CSCC[C@@H](C)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358949134 167015839 /nfs/dbraw/zinc/01/58/39/167015839.db2.gz JNASDZYNEFIQDN-SECBINFHSA-N 0 0 348.371 3.410 10 5 EGBERN C[C@H](N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000359059286 167054604 /nfs/dbraw/zinc/05/46/04/167054604.db2.gz ANVANUMDDRAIHQ-VIFPVBQESA-N 0 0 328.315 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000359103655 167067854 /nfs/dbraw/zinc/06/78/54/167067854.db2.gz UJNUTHXLNQTPAM-HNNXBMFYSA-N 0 0 340.383 3.214 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2Cn2ccnc2)n1 ZINC000359109219 167069204 /nfs/dbraw/zinc/06/92/04/167069204.db2.gz NOPPKBYGUXYREB-UHFFFAOYSA-N 0 0 337.383 3.464 10 5 EGBERN Cc1nn(Cc2nnc(-c3ccccc3)o2)c2ccc([N+](=O)[O-])cc12 ZINC000359458926 167162110 /nfs/dbraw/zinc/16/21/10/167162110.db2.gz RVSXXGJNWYUSJD-UHFFFAOYSA-N 0 0 335.323 3.351 10 5 EGBERN CCOc1ccc(C(=O)Nc2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000359745590 167221026 /nfs/dbraw/zinc/22/10/26/167221026.db2.gz IXSYABFOUNVCHD-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN NC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000360223080 167275483 /nfs/dbraw/zinc/27/54/83/167275483.db2.gz XUGLEAACMMLLSE-CQSZACIVSA-N 0 0 345.786 3.227 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCn2c(cc3ccccc32)C1 ZINC000360584163 167363532 /nfs/dbraw/zinc/36/35/32/167363532.db2.gz PPCYPKPNNGZMSD-UHFFFAOYSA-N 0 0 327.365 3.267 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)C(=O)C1 ZINC000360620828 167371836 /nfs/dbraw/zinc/37/18/36/167371836.db2.gz OEXZZTRYCOZBMS-AWEZNQCLSA-N 0 0 325.368 3.005 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000360870444 167432787 /nfs/dbraw/zinc/43/27/87/167432787.db2.gz HCKMCCQDYHALAT-ZWNOBZJWSA-N 0 0 346.305 3.163 10 5 EGBERN Cn1c(=O)ccc2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])cc21 ZINC000362660617 167818108 /nfs/dbraw/zinc/81/81/08/167818108.db2.gz AATJSEBZXCLJED-UHFFFAOYSA-N 0 0 330.731 3.239 10 5 EGBERN CC[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376386316 287212333 /nfs/dbraw/zinc/21/23/33/287212333.db2.gz UKGOJQXWGDSCRJ-IUODEOHRSA-N 0 0 326.780 3.023 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000364520725 167951184 /nfs/dbraw/zinc/95/11/84/167951184.db2.gz DUZSFBLMMBXIMT-UHFFFAOYSA-N 0 0 327.315 3.058 10 5 EGBERN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000366275228 168100805 /nfs/dbraw/zinc/10/08/05/168100805.db2.gz WBMSDUWXCSLPIT-GDBMZVCRSA-N 0 0 340.807 3.018 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000367782271 168269504 /nfs/dbraw/zinc/26/95/04/168269504.db2.gz JLVGOSPMGNESJA-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN COc1cccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000122725861 222146373 /nfs/dbraw/zinc/14/63/73/222146373.db2.gz QRCFTUMIPRFGNM-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN CCn1cc(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000123758043 222328965 /nfs/dbraw/zinc/32/89/65/222328965.db2.gz WOZJXRVZKHZGHY-UHFFFAOYSA-N 0 0 342.399 3.139 10 5 EGBERN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172699105 227843538 /nfs/dbraw/zinc/84/35/38/227843538.db2.gz OYDHUODWYYYXFW-GFCCVEGCSA-N 0 0 344.367 3.032 10 5 EGBERN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174345121 265043796 /nfs/dbraw/zinc/04/37/96/265043796.db2.gz OSBYERTXCTVXBQ-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN CCOc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000175446902 265114565 /nfs/dbraw/zinc/11/45/65/265114565.db2.gz ZHXBDLLTHZWJAD-NEPJUHHUSA-N 0 0 336.388 3.263 10 5 EGBERN COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc2c1OCCO2 ZINC000179315380 265372673 /nfs/dbraw/zinc/37/26/73/265372673.db2.gz JFCKTWMVTHJJQI-UHFFFAOYSA-N 0 0 344.367 3.007 10 5 EGBERN CCOc1cc(O)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191008250 265879898 /nfs/dbraw/zinc/87/98/98/265879898.db2.gz NHQLBTCWGBPUDA-UHFFFAOYSA-N 0 0 341.323 3.433 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)n1 ZINC000191480541 265906732 /nfs/dbraw/zinc/90/67/32/265906732.db2.gz CELOQLSYIZNHQI-UHFFFAOYSA-N 0 0 336.351 3.315 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000191499072 265909058 /nfs/dbraw/zinc/90/90/58/265909058.db2.gz MGXBLSVBYSUEKX-SNVBAGLBSA-N 0 0 336.779 3.298 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000194245594 266100538 /nfs/dbraw/zinc/10/05/38/266100538.db2.gz DUJWDMBYICYLBI-UHFFFAOYSA-N 0 0 330.384 3.158 10 5 EGBERN COc1cccc(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000194411785 266115483 /nfs/dbraw/zinc/11/54/83/266115483.db2.gz RECRNGOXKXNUNC-CYBMUJFWSA-N 0 0 328.368 3.445 10 5 EGBERN Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])cnc3C)nc21 ZINC000194718143 266139278 /nfs/dbraw/zinc/13/92/78/266139278.db2.gz KLFDBKBTBJNSOU-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000195210207 266166830 /nfs/dbraw/zinc/16/68/30/266166830.db2.gz LCRIWPFCGFUAIS-UHFFFAOYSA-N 0 0 328.324 3.332 10 5 EGBERN Cc1ccccc1[C@H](CC(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271419350 266658936 /nfs/dbraw/zinc/65/89/36/266658936.db2.gz PUVXJRQJXMWCCD-AWEZNQCLSA-N 0 0 330.388 3.154 10 5 EGBERN CS(=O)(=O)c1ccc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000273384965 267031527 /nfs/dbraw/zinc/03/15/27/267031527.db2.gz UCYBUOWGNIGBDJ-UHFFFAOYSA-N 0 0 346.408 3.167 10 5 EGBERN Cc1ncc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000273957227 267151083 /nfs/dbraw/zinc/15/10/83/267151083.db2.gz ODQVZLVJUGJEBQ-UHFFFAOYSA-N 0 0 337.376 3.093 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c2c(nn1C)CCC2 ZINC000275939642 267454068 /nfs/dbraw/zinc/45/40/68/267454068.db2.gz SLZXLCNNKNLYQG-UHFFFAOYSA-N 0 0 334.763 3.031 10 5 EGBERN Cc1cnccc1OC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000278403221 268004796 /nfs/dbraw/zinc/00/47/96/268004796.db2.gz GWFWCYMRYBMNIH-UHFFFAOYSA-N 0 0 348.790 3.394 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](c4ccsc4)C3)nc2c1 ZINC000278466049 268020097 /nfs/dbraw/zinc/02/00/97/268020097.db2.gz NCYIFSQBDRCFKJ-CQSZACIVSA-N 0 0 330.369 3.111 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000103377299 275161758 /nfs/dbraw/zinc/16/17/58/275161758.db2.gz LYQXNWGQAPVIJS-NSHDSACASA-N 0 0 349.346 3.440 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000120764933 275190685 /nfs/dbraw/zinc/19/06/85/275190685.db2.gz GCGBGCSMUZJENL-OAHLLOKOSA-N 0 0 344.342 3.401 10 5 EGBERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)o1 ZINC000184817936 275213881 /nfs/dbraw/zinc/21/38/81/275213881.db2.gz NBGWOKKVWVVOHQ-CQSZACIVSA-N 0 0 344.371 3.095 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)N1CCc2ccccc21 ZINC000184979411 275214429 /nfs/dbraw/zinc/21/44/29/275214429.db2.gz FBBJRJNENQUMQU-UHFFFAOYSA-N 0 0 349.346 3.111 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000266059377 275234878 /nfs/dbraw/zinc/23/48/78/275234878.db2.gz WAOUOCZUNHATRW-HYSGPEBHSA-N 0 0 346.383 3.006 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3c3cc[nH]n3)co2)cc1 ZINC000278734995 275270057 /nfs/dbraw/zinc/27/00/57/275270057.db2.gz WCVCEHDTGXULPC-INIZCTEOSA-N 0 0 339.355 3.310 10 5 EGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278816473 275277422 /nfs/dbraw/zinc/27/74/22/275277422.db2.gz PKWBTOGTHKLZLR-WDEREUQCSA-N 0 0 345.321 3.196 10 5 EGBERN Cc1ccc([C@H](C)OC(=O)c2ccnn2CC(F)F)cc1[N+](=O)[O-] ZINC000279150272 275308103 /nfs/dbraw/zinc/30/81/03/275308103.db2.gz YPRWTWILJUWRJC-JTQLQIEISA-N 0 0 339.298 3.283 10 5 EGBERN CS[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280726933 275487939 /nfs/dbraw/zinc/48/79/39/275487939.db2.gz NQZQDWQJKMNYAK-ZETCQYMHSA-N 0 0 333.207 3.356 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000281233535 275532365 /nfs/dbraw/zinc/53/23/65/275532365.db2.gz CGORQEJKJQDINS-HNNXBMFYSA-N 0 0 343.387 3.396 10 5 EGBERN CCOC(=O)CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000281848208 275582088 /nfs/dbraw/zinc/58/20/88/275582088.db2.gz NKPDEXONXMAOQX-UHFFFAOYSA-N 0 0 342.779 3.052 10 5 EGBERN CCC[C@H](NC(=O)[C@H](C)n1cc(C)c([N+](=O)[O-])n1)c1ccccc1 ZINC000282154656 275607165 /nfs/dbraw/zinc/60/71/65/275607165.db2.gz CEYUPSRMVLNSKO-ZFWWWQNUSA-N 0 0 330.388 3.318 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282912581 275682317 /nfs/dbraw/zinc/68/23/17/275682317.db2.gz VLSNWQYERAZJGO-NHYWBVRUSA-N 0 0 340.807 3.228 10 5 EGBERN CC1CC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000352286179 275926663 /nfs/dbraw/zinc/92/66/63/275926663.db2.gz OSAKSMGFBHTDGG-OPFPJEHXSA-N 0 0 331.416 3.359 10 5 EGBERN CN(C)C(=O)[C@H]1CCC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291938941 276710486 /nfs/dbraw/zinc/71/04/86/276710486.db2.gz MRQAPAUDLFWYBZ-STQMWFEESA-N 0 0 342.399 3.202 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000292065127 276728527 /nfs/dbraw/zinc/72/85/27/276728527.db2.gz BZPHIMJJVJAROO-BDJLRTHQSA-N 0 0 346.408 3.397 10 5 EGBERN CC[C@@H](NC(=O)CCc1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000292593684 276832716 /nfs/dbraw/zinc/83/27/16/276832716.db2.gz VJSHZZIPBVHPIC-QGZVFWFLSA-N 0 0 327.384 3.498 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000268226462 277111598 /nfs/dbraw/zinc/11/15/98/277111598.db2.gz SOYCDUPXSHBOIS-INIZCTEOSA-N 0 0 332.381 3.437 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000167716458 277207920 /nfs/dbraw/zinc/20/79/20/277207920.db2.gz ZGTTWEBZPZZBLV-JTQLQIEISA-N 0 0 341.795 3.201 10 5 EGBERN CO[C@@H](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000347590998 277278081 /nfs/dbraw/zinc/27/80/81/277278081.db2.gz PFLLDACJAYOYQH-NSHDSACASA-N 0 0 349.309 3.301 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000360075963 278718823 /nfs/dbraw/zinc/71/88/23/278718823.db2.gz WCNNEDCWSXVCRC-IGCXYCKISA-N 0 0 338.379 3.205 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000341191429 280023778 /nfs/dbraw/zinc/02/37/78/280023778.db2.gz PVXPGXGJQOMXTJ-NSHDSACASA-N 0 0 349.346 3.440 10 5 EGBERN Cc1c(Br)c(N[C@H]2CCCCC[C@@H]2O)ncc1[N+](=O)[O-] ZINC000165801686 280199013 /nfs/dbraw/zinc/19/90/13/280199013.db2.gz BERWVVONSUWTKI-ONGXEEELSA-N 0 0 344.209 3.166 10 5 EGBERN Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000341005179 280300678 /nfs/dbraw/zinc/30/06/78/280300678.db2.gz VZGXZSDRPWTMNU-CYBMUJFWSA-N 0 0 335.367 3.350 10 5 EGBERN CC[C@@H]1CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000347605483 280314986 /nfs/dbraw/zinc/31/49/86/280314986.db2.gz AKNRZXPYKAVYHH-DZGCQCFKSA-N 0 0 331.416 3.456 10 5 EGBERN CC(C)c1ccc([C@@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000367402886 280617701 /nfs/dbraw/zinc/61/77/01/280617701.db2.gz MQNWPDSBJNPBME-HNNXBMFYSA-N 0 0 342.399 3.429 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066713053 288393106 /nfs/dbraw/zinc/39/31/06/288393106.db2.gz RGGJOOWKOMAROO-KDOFPFPSSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000364019166 293381381 /nfs/dbraw/zinc/38/13/81/293381381.db2.gz IGRUPVINEULPMK-CQSZACIVSA-N 0 0 330.344 3.044 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1C ZINC000360193742 301861490 /nfs/dbraw/zinc/86/14/90/301861490.db2.gz KQXFIMDTFDHYKC-GJZGRUSLSA-N 0 0 346.408 3.046 10 5 EGBERN COC(=O)c1cc(NCc2nnc(C3CC3)s2)cc(C)c1[N+](=O)[O-] ZINC000413580814 309038301 /nfs/dbraw/zinc/03/83/01/309038301.db2.gz LWDQOWLZJBWUAM-UHFFFAOYSA-N 0 0 348.384 3.031 10 5 EGBERN CC(C)N(C[C@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000413591738 309038775 /nfs/dbraw/zinc/03/87/75/309038775.db2.gz JHJBHBSOSJPLKB-LLVKDONJSA-N 0 0 345.321 3.107 10 5 EGBERN CC(C)N(C[C@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000413592519 309038842 /nfs/dbraw/zinc/03/88/42/309038842.db2.gz KHDIVHIRJCHVNZ-SNVBAGLBSA-N 0 0 345.321 3.107 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](CO)C2)nc1-c1ccc(F)cc1 ZINC000413617537 309039725 /nfs/dbraw/zinc/03/97/25/309039725.db2.gz TUYIOLFIGOGVPW-WFASDCNBSA-N 0 0 345.374 3.181 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056607954 307343980 /nfs/dbraw/zinc/34/39/80/307343980.db2.gz MIONYAYBPHWMAS-UHFFFAOYSA-N 0 0 331.347 3.118 10 5 EGBERN CSc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000056944320 307345304 /nfs/dbraw/zinc/34/53/04/307345304.db2.gz SAHGWXFOOQKBIY-UHFFFAOYSA-N 0 0 331.397 3.316 10 5 EGBERN CCCCCNC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000057812421 307347365 /nfs/dbraw/zinc/34/73/65/307347365.db2.gz YRSCXNZWYKMELL-UHFFFAOYSA-N 0 0 334.294 3.299 10 5 EGBERN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001323 307361036 /nfs/dbraw/zinc/36/10/36/307361036.db2.gz LUBFLVMEATTYBE-UHFFFAOYSA-N 0 0 326.399 3.098 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000075130664 307398148 /nfs/dbraw/zinc/39/81/48/307398148.db2.gz VWXYUZPPDFXSJC-HNNXBMFYSA-N 0 0 328.796 3.165 10 5 EGBERN CSCCCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080144535 307431710 /nfs/dbraw/zinc/43/17/10/307431710.db2.gz OZLAXUSNMJTMOV-UHFFFAOYSA-N 0 0 325.434 3.272 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000413908684 309052059 /nfs/dbraw/zinc/05/20/59/309052059.db2.gz CXCJWIUBLHYLQA-GFCCVEGCSA-N 0 0 348.399 3.238 10 5 EGBERN CCOc1ccc(C(=O)N(C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000128713742 307604420 /nfs/dbraw/zinc/60/44/20/307604420.db2.gz HOWKZUXKIMGSAZ-UHFFFAOYSA-N 0 0 343.383 3.336 10 5 EGBERN Cc1ccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000131623071 307646350 /nfs/dbraw/zinc/64/63/50/307646350.db2.gz GLQIJDJTDNNGFK-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN Cc1c(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000151650903 307736495 /nfs/dbraw/zinc/73/64/95/307736495.db2.gz NWRCCBRMLPAUTI-UGSOOPFHSA-N 0 0 340.379 3.367 10 5 EGBERN COC(=O)[C@@H](c1ccccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153102203 307766378 /nfs/dbraw/zinc/76/63/78/307766378.db2.gz CBYOWNNYXDXBCM-QGZVFWFLSA-N 0 0 344.342 3.006 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000155060546 307806834 /nfs/dbraw/zinc/80/68/34/307806834.db2.gz XHGOGOCIRSCSQH-ZDUSSCGKSA-N 0 0 328.368 3.312 10 5 EGBERN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(F)F ZINC000293836823 308166488 /nfs/dbraw/zinc/16/64/88/308166488.db2.gz AVRUCLFEWBFDCQ-WCQYABFASA-N 0 0 330.718 3.366 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2nnc(C3CC3)[nH]2)o1 ZINC000294736786 308251619 /nfs/dbraw/zinc/25/16/19/308251619.db2.gz GVRHNOUCSWJDNE-UHFFFAOYSA-N 0 0 339.355 3.140 10 5 EGBERN O=c1[nH]c(NC[C@H]2CCCCC2(F)F)nc2ccc([N+](=O)[O-])cc12 ZINC000294876318 308266640 /nfs/dbraw/zinc/26/66/40/308266640.db2.gz FOOQXILNHUCZEK-SECBINFHSA-N 0 0 338.314 3.481 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCC2(CCC(O)CC2)CC1 ZINC000295016938 308282012 /nfs/dbraw/zinc/28/20/12/308282012.db2.gz ULBGIIWOKZOETA-UHFFFAOYSA-N 0 0 334.416 3.263 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295694450 308351392 /nfs/dbraw/zinc/35/13/92/308351392.db2.gz ZLSFCGLTCNNAKQ-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN Nc1c(F)c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000295829622 308364629 /nfs/dbraw/zinc/36/46/29/308364629.db2.gz WADHOAJHUHGJDE-BXUZGUMPSA-N 0 0 332.335 3.043 10 5 EGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc(C[C@H]2CCCO2)no1 ZINC000296027864 308386605 /nfs/dbraw/zinc/38/66/05/308386605.db2.gz VCWKKRUJVFIMCL-SECBINFHSA-N 0 0 343.261 3.385 10 5 EGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000296113689 308395144 /nfs/dbraw/zinc/39/51/44/308395144.db2.gz NRWMHHSHIZTHOW-MNOVXSKESA-N 0 0 346.305 3.163 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296454318 308429073 /nfs/dbraw/zinc/42/90/73/308429073.db2.gz LWDZRQLNFZBBGT-LLVKDONJSA-N 0 0 346.387 3.322 10 5 EGBERN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000414744708 309098506 /nfs/dbraw/zinc/09/85/06/309098506.db2.gz OTZALRPSFANNDU-CRAIPNDOSA-N 0 0 326.327 3.369 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000299678252 308684107 /nfs/dbraw/zinc/68/41/07/308684107.db2.gz VIBHHARCDLOOPN-UHFFFAOYSA-N 0 0 339.395 3.302 10 5 EGBERN Cc1ccc(Oc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cn1 ZINC000301222000 308692215 /nfs/dbraw/zinc/69/22/15/308692215.db2.gz AZXJIVHEXCUKDD-UHFFFAOYSA-N 0 0 344.295 3.087 10 5 EGBERN CC(C)(C)C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301259946 308693920 /nfs/dbraw/zinc/69/39/20/308693920.db2.gz BBSWJOISJVEQDS-UHFFFAOYSA-N 0 0 340.445 3.261 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3cccc(C)c3)CC2)c1 ZINC000301367588 308697938 /nfs/dbraw/zinc/69/79/38/308697938.db2.gz SUCLSIAPJVSNAN-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN CCc1cnc(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])s1 ZINC000301661012 308709597 /nfs/dbraw/zinc/70/95/97/308709597.db2.gz XMCWHVBZGKFQLD-UHFFFAOYSA-N 0 0 325.365 3.398 10 5 EGBERN O=[N+]([O-])c1ccc(Br)cc1NC[C@@H](O)C1CCCC1 ZINC000301694046 308711339 /nfs/dbraw/zinc/71/13/39/308711339.db2.gz XZYHEQPQDXJPRK-CYBMUJFWSA-N 0 0 329.194 3.320 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000301754340 308713876 /nfs/dbraw/zinc/71/38/76/308713876.db2.gz CLOCDJPAUFPLQS-QPJKDDTCSA-N 0 0 334.372 3.151 10 5 EGBERN Cc1ccc(C(C)(C)CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000302004676 308724868 /nfs/dbraw/zinc/72/48/68/308724868.db2.gz SCPFMXPBWPJZAM-UHFFFAOYSA-N 0 0 339.399 3.360 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302046281 308726845 /nfs/dbraw/zinc/72/68/45/308726845.db2.gz KVLSZEWRNNASLE-YGRLFVJLSA-N 0 0 344.458 3.076 10 5 EGBERN CO[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000302580768 308740208 /nfs/dbraw/zinc/74/02/08/308740208.db2.gz SZUGJSXENQYTLY-WBMJQRKESA-N 0 0 342.399 3.221 10 5 EGBERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302610536 308740481 /nfs/dbraw/zinc/74/04/81/308740481.db2.gz BLWPIHYRXXRGFQ-NEPJUHHUSA-N 0 0 326.418 3.379 10 5 EGBERN COc1cc(NC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000302650492 308741041 /nfs/dbraw/zinc/74/10/41/308741041.db2.gz BPOLMOWVUYNREI-MRXNPFEDSA-N 0 0 326.368 3.486 10 5 EGBERN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302818510 308746745 /nfs/dbraw/zinc/74/67/45/308746745.db2.gz NJPRPODTTRGFAM-CHWSQXEVSA-N 0 0 337.395 3.255 10 5 EGBERN COC(=O)c1ccc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000302827824 308747474 /nfs/dbraw/zinc/74/74/74/308747474.db2.gz IFNCNHHJUXJXPK-UHFFFAOYSA-N 0 0 341.367 3.004 10 5 EGBERN CC(C)(CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CCCCC1 ZINC000331054127 308801539 /nfs/dbraw/zinc/80/15/39/308801539.db2.gz JWENNGMUAWBFHX-UHFFFAOYSA-N 0 0 334.420 3.169 10 5 EGBERN Cc1nccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000362900612 308897281 /nfs/dbraw/zinc/89/72/81/308897281.db2.gz DGPUJCWLAIYOAQ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(C)c(C)c32)n1 ZINC000411086231 308926165 /nfs/dbraw/zinc/92/61/65/308926165.db2.gz ATSFIGIAGNFMEC-UHFFFAOYSA-N 0 0 328.372 3.021 10 5 EGBERN CC[C@@H](NC(=O)C[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000412170531 308972851 /nfs/dbraw/zinc/97/28/51/308972851.db2.gz SUEFBHWTFNZAPU-MLGOLLRUSA-N 0 0 330.388 3.089 10 5 EGBERN O=C(NCCCC1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412375862 308983507 /nfs/dbraw/zinc/98/35/07/308983507.db2.gz ZVLGRTYSRMSICF-DLBZAZTESA-N 0 0 332.400 3.021 10 5 EGBERN C[C@H]1CC(C)(C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000412772864 309002045 /nfs/dbraw/zinc/00/20/45/309002045.db2.gz BKJKBROQRDAMIX-LBPRGKRZSA-N 0 0 342.399 3.256 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC(C)(C)C1 ZINC000412815383 309004248 /nfs/dbraw/zinc/00/42/48/309004248.db2.gz UYLZNUSKOOCZEH-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000413149264 309018278 /nfs/dbraw/zinc/01/82/78/309018278.db2.gz ROJNVEWTVMXUMA-GFCCVEGCSA-N 0 0 346.362 3.218 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3c[nH]cn3)CC2)c(C(F)(F)F)c1 ZINC000413172889 309019586 /nfs/dbraw/zinc/01/95/86/309019586.db2.gz GEGIWBUTGFBCTR-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)C1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000413348529 309028094 /nfs/dbraw/zinc/02/80/94/309028094.db2.gz DIDGVFLYTJROIP-WFASDCNBSA-N 0 0 335.404 3.303 10 5 EGBERN COC(=O)c1cc(NCc2ccc(C)c(C)n2)cc(C)c1[N+](=O)[O-] ZINC000413405898 309030793 /nfs/dbraw/zinc/03/07/93/309030793.db2.gz QLAOJAMTLZAGPA-UHFFFAOYSA-N 0 0 329.356 3.314 10 5 EGBERN C[C@H]1C[C@@H]1N(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000415889754 309146220 /nfs/dbraw/zinc/14/62/20/309146220.db2.gz JEIIRVLROMRWBD-FZMZJTMJSA-N 0 0 340.335 3.379 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416558952 309173629 /nfs/dbraw/zinc/17/36/29/309173629.db2.gz JFXDYPQFKIVLSV-UHFFFAOYSA-N 0 0 348.371 3.005 10 5 EGBERN Cc1cc(N2CCC[C@@H]2COc2cccnc2C)ncc1[N+](=O)[O-] ZINC000419024349 309259660 /nfs/dbraw/zinc/25/96/60/309259660.db2.gz KPILRCWDQXHHPB-CQSZACIVSA-N 0 0 328.372 3.049 10 5 EGBERN Cc1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)nn1 ZINC000420527020 309289206 /nfs/dbraw/zinc/28/92/06/309289206.db2.gz IBNMCCDBIUYINR-UHFFFAOYSA-N 0 0 343.318 3.208 10 5 EGBERN CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000420622815 309290464 /nfs/dbraw/zinc/29/04/64/309290464.db2.gz UBSWWYXOYQUXPW-HUUCEWRRSA-N 0 0 347.415 3.200 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420624266 309290601 /nfs/dbraw/zinc/29/06/01/309290601.db2.gz JSVWDMNFXZZOPU-JOCQHMNTSA-N 0 0 325.368 3.360 10 5 EGBERN C[C@@H]1CC[C@@H](O)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421378799 309321673 /nfs/dbraw/zinc/32/16/73/309321673.db2.gz TWKJZKCADNXXOG-IAQYHMDHSA-N 0 0 333.413 3.064 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000421421442 309323986 /nfs/dbraw/zinc/32/39/86/309323986.db2.gz GZBBYCQVWGPYIW-UHFFFAOYSA-N 0 0 325.368 3.490 10 5 EGBERN CC[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000421678211 309334212 /nfs/dbraw/zinc/33/42/12/309334212.db2.gz ZAFCKANSFKBGEX-ZJUUUORDSA-N 0 0 346.305 3.301 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000421789708 309340128 /nfs/dbraw/zinc/34/01/28/309340128.db2.gz BPUBVMZCANFGOD-AWEZNQCLSA-N 0 0 340.379 3.142 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000421905735 309345933 /nfs/dbraw/zinc/34/59/33/309345933.db2.gz ADDUCCIYNNYYPZ-GFCCVEGCSA-N 0 0 345.424 3.339 10 5 EGBERN O=C(N[C@H]1CC12CC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000424962967 309460443 /nfs/dbraw/zinc/46/04/43/309460443.db2.gz DVTVXCDMLOXFJJ-KRWDZBQOSA-N 0 0 337.379 3.489 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000425505010 309483423 /nfs/dbraw/zinc/48/34/23/309483423.db2.gz AETURZJGKXMZGJ-SJLPKXTDSA-N 0 0 343.358 3.340 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426612226 309510331 /nfs/dbraw/zinc/51/03/31/309510331.db2.gz XNCNTOYKPRKHTP-GFCCVEGCSA-N 0 0 327.331 3.314 10 5 EGBERN CCc1cnc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000426625220 309510720 /nfs/dbraw/zinc/51/07/20/309510720.db2.gz YPPZKBJCNMCLAX-ZDUSSCGKSA-N 0 0 346.456 3.497 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000427462294 309529543 /nfs/dbraw/zinc/52/95/43/309529543.db2.gz KFEGAVPUZIBXLF-OAHLLOKOSA-N 0 0 342.351 3.084 10 5 EGBERN CC(C)(C)C(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000431595503 309637521 /nfs/dbraw/zinc/63/75/21/309637521.db2.gz JTKOFJSEGZZMIL-UHFFFAOYSA-N 0 0 334.825 3.351 10 5 EGBERN Cn1nccc1C1=CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432132965 309653007 /nfs/dbraw/zinc/65/30/07/309653007.db2.gz JKWZPRDQIYGANI-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN C[C@H](NC(=O)NCCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000432399848 309659860 /nfs/dbraw/zinc/65/98/60/309659860.db2.gz KSNZIAOYIIJHNJ-GRDNDAEWSA-N 0 0 349.431 3.286 10 5 EGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(C2CCOCC2)n1 ZINC000434328093 309708991 /nfs/dbraw/zinc/70/89/91/309708991.db2.gz XVVHKKDRKQDFEW-UHFFFAOYSA-N 0 0 344.371 3.012 10 5 EGBERN C[C@@H]1CCN(c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000437441000 309792478 /nfs/dbraw/zinc/79/24/78/309792478.db2.gz VISAVPIWWKEHKZ-GFCCVEGCSA-N 0 0 326.356 3.088 10 5 EGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438146916 309808075 /nfs/dbraw/zinc/80/80/75/309808075.db2.gz GJNMDUIDHFIIDL-NQCMUKECSA-N 0 0 340.379 3.207 10 5 EGBERN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1cccnc1C ZINC000439237420 309829053 /nfs/dbraw/zinc/82/90/53/309829053.db2.gz NONMVCNAXQFNAF-UHFFFAOYSA-N 0 0 328.372 3.153 10 5 EGBERN O=C(Nc1csc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440493992 309850754 /nfs/dbraw/zinc/85/07/54/309850754.db2.gz ZGJWEKZEOXPIKO-UHFFFAOYSA-N 0 0 341.348 3.387 10 5 EGBERN C[C@H]1COCC[C@H]1c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000442678764 309884338 /nfs/dbraw/zinc/88/43/38/309884338.db2.gz KZNPNPVFHWLYPG-GXFFZTMASA-N 0 0 344.371 3.359 10 5 EGBERN C[C@H](c1nc([C@@H]2CCOC[C@H]2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000442693191 309884593 /nfs/dbraw/zinc/88/45/93/309884593.db2.gz IVAVHPYEELORCH-JFGNBEQYSA-N 0 0 335.335 3.409 10 5 EGBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000442944123 309892140 /nfs/dbraw/zinc/89/21/40/309892140.db2.gz NQBSAEYEZGHWIL-UHFFFAOYSA-N 0 0 342.229 3.451 10 5 EGBERN CCOc1cccc(NCCCc2nnc3ccccn32)c1[N+](=O)[O-] ZINC000443444384 309901299 /nfs/dbraw/zinc/90/12/99/309901299.db2.gz OLCMLXVWFFBOAS-UHFFFAOYSA-N 0 0 341.371 3.081 10 5 EGBERN CCCC[C@@H](CCC)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443768423 309907903 /nfs/dbraw/zinc/90/79/03/309907903.db2.gz FLMMMGVLNWYABX-CQSZACIVSA-N 0 0 328.434 3.373 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000445502654 309942573 /nfs/dbraw/zinc/94/25/73/309942573.db2.gz LJKYKKDYHPHKLP-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)c1ccccc1 ZINC000446279666 309959544 /nfs/dbraw/zinc/95/95/44/309959544.db2.gz FLONORFCGCLBRL-CYBMUJFWSA-N 0 0 334.759 3.020 10 5 EGBERN Cc1c(CC(=O)Nc2cc(C3(C)CCCC3)on2)cccc1[N+](=O)[O-] ZINC000448412417 310003741 /nfs/dbraw/zinc/00/37/41/310003741.db2.gz FEZODYMJOHIHFM-UHFFFAOYSA-N 0 0 343.383 3.326 10 5 EGBERN Cc1sc(C(=O)Nc2cc(-c3ccccc3F)on2)cc1[N+](=O)[O-] ZINC000448493369 310004889 /nfs/dbraw/zinc/00/48/89/310004889.db2.gz VLMNSGVSHNOTOU-UHFFFAOYSA-N 0 0 347.327 3.433 10 5 EGBERN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](O)C1CCC1 ZINC000449930561 310094666 /nfs/dbraw/zinc/09/46/66/310094666.db2.gz WCXJJKZDVWSJDF-QGZVFWFLSA-N 0 0 342.351 3.487 10 5 EGBERN O=C1CCc2cc(Nc3ccc([N+](=O)[O-])nc3)ccc2N1CC1CC1 ZINC000450449753 310123497 /nfs/dbraw/zinc/12/34/97/310123497.db2.gz BDZCUWZJFJAIQN-UHFFFAOYSA-N 0 0 338.367 3.423 10 5 EGBERN CN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CC[C@H](O)CC1 ZINC000450475260 310124888 /nfs/dbraw/zinc/12/48/88/310124888.db2.gz WQFOAVOMRNPEIO-MQMHXKEQSA-N 0 0 333.413 3.458 10 5 EGBERN O=[N+]([O-])c1cnc(NCCCC2CCOCC2)c(Br)c1 ZINC000450565492 310130345 /nfs/dbraw/zinc/13/03/45/310130345.db2.gz ZSMCSFFIPUIYDL-UHFFFAOYSA-N 0 0 344.209 3.371 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450604406 310132606 /nfs/dbraw/zinc/13/26/06/310132606.db2.gz WDHLWJBYDNSSKH-VNHYZAJKSA-N 0 0 337.383 3.408 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCOC2(CCC2)C1 ZINC000450719619 310139240 /nfs/dbraw/zinc/13/92/40/310139240.db2.gz QMSBXUDPBALPNB-ZDUSSCGKSA-N 0 0 327.384 3.326 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1SC1CCC(C(F)(F)F)CC1 ZINC000450864443 310146559 /nfs/dbraw/zinc/14/65/59/310146559.db2.gz CNIXWFPGUWZSRS-UHFFFAOYSA-N 0 0 349.334 3.302 10 5 EGBERN Cc1c(CNC(=O)c2cccc3c2O[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000451128777 310161993 /nfs/dbraw/zinc/16/19/93/310161993.db2.gz KDDQNAKXUNMLPC-NSHDSACASA-N 0 0 326.352 3.157 10 5 EGBERN Cc1c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271627 310169060 /nfs/dbraw/zinc/16/90/60/310169060.db2.gz VFQULMBQYVGANM-PKOBYXMFSA-N 0 0 344.386 3.203 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000452394760 310225572 /nfs/dbraw/zinc/22/55/72/310225572.db2.gz DVGDPZQRMJFRGD-LSDHHAIUSA-N 0 0 342.399 3.125 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000452394755 310225618 /nfs/dbraw/zinc/22/56/18/310225618.db2.gz DVGDPZQRMJFRGD-GJZGRUSLSA-N 0 0 342.399 3.125 10 5 EGBERN CC(C)COCCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452861752 310246177 /nfs/dbraw/zinc/24/61/77/310246177.db2.gz UNRWOPGKMCSIPT-MRXNPFEDSA-N 0 0 334.416 3.364 10 5 EGBERN Cc1cc(C)n([C@H](C)c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)n1 ZINC000453290341 310269305 /nfs/dbraw/zinc/26/93/05/310269305.db2.gz MYGFDJVDXROYMU-GFCCVEGCSA-N 0 0 327.344 3.376 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000454624186 310320684 /nfs/dbraw/zinc/32/06/84/310320684.db2.gz VTMYEPSHFSOVMX-GFCCVEGCSA-N 0 0 346.387 3.404 10 5 EGBERN Cc1c(CNC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454860404 310333030 /nfs/dbraw/zinc/33/30/30/310333030.db2.gz VBBFLTZOHGEPKP-PBHICJAKSA-N 0 0 349.431 3.154 10 5 EGBERN COC[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000454944644 310336893 /nfs/dbraw/zinc/33/68/93/310336893.db2.gz RCFYBCVUENZWQL-CQSZACIVSA-N 0 0 335.404 3.492 10 5 EGBERN Cc1c(NC(=O)N2CC[C@@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455357253 310357329 /nfs/dbraw/zinc/35/73/29/310357329.db2.gz QOVJXCGLYMWVIF-SECBINFHSA-N 0 0 346.156 3.241 10 5 EGBERN C[C@H](CCCO)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455424636 310360019 /nfs/dbraw/zinc/36/00/19/310360019.db2.gz XQNFGMBETXMDKW-GFCCVEGCSA-N 0 0 337.420 3.422 10 5 EGBERN CCCc1ncc(CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000455537075 310365706 /nfs/dbraw/zinc/36/57/06/310365706.db2.gz QTYBWTZCRPFWLS-HNNXBMFYSA-N 0 0 346.387 3.486 10 5 EGBERN CC(C)(C)C[C@@H](O)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456149068 310390708 /nfs/dbraw/zinc/39/07/08/310390708.db2.gz SDYRVXKPRQKJPO-WBVHZDCISA-N 0 0 348.443 3.488 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456238786 310394487 /nfs/dbraw/zinc/39/44/87/310394487.db2.gz BASVTIUITFQCHT-PBHICJAKSA-N 0 0 330.384 3.254 10 5 EGBERN CO[C@H]([C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000456558754 310412226 /nfs/dbraw/zinc/41/22/26/310412226.db2.gz KLUIDJUPOBHGCX-LKFCYVNXSA-N 0 0 326.780 3.100 10 5 EGBERN CC(C)(C)C1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458621961 310512798 /nfs/dbraw/zinc/51/27/98/310512798.db2.gz DRSRWKJJLWQRPK-UHFFFAOYSA-N 0 0 339.823 3.478 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCC1CCCCCC1 ZINC000458709547 310516970 /nfs/dbraw/zinc/51/69/70/310516970.db2.gz VHAGNZVCBDKXLI-UHFFFAOYSA-N 0 0 345.403 3.241 10 5 EGBERN CCCc1ncc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000459052681 310531825 /nfs/dbraw/zinc/53/18/25/310531825.db2.gz QDNRSSHCHWMLMB-UHFFFAOYSA-N 0 0 346.387 3.270 10 5 EGBERN Cc1cc(NCCc2nc(-c3ccccc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000461939864 310593829 /nfs/dbraw/zinc/59/38/29/310593829.db2.gz YVULDJISOPDWLC-UHFFFAOYSA-N 0 0 341.346 3.482 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000472124857 310759517 /nfs/dbraw/zinc/75/95/17/310759517.db2.gz VGPKEJQQTUIYFG-GWCFXTLKSA-N 0 0 345.321 3.120 10 5 EGBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000474388969 310792130 /nfs/dbraw/zinc/79/21/30/310792130.db2.gz CYQUDNNUAAKYMO-VWYCJHECSA-N 0 0 346.836 3.303 10 5 EGBERN CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)C1CCOCC1 ZINC000474780347 310799158 /nfs/dbraw/zinc/79/91/58/310799158.db2.gz KZCPHODLIOYKEX-HNNXBMFYSA-N 0 0 336.388 3.307 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000477695308 310847902 /nfs/dbraw/zinc/84/79/02/310847902.db2.gz BKZAEMSIIGYJKN-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H](COc2ccccc2)C1 ZINC000477790741 310849184 /nfs/dbraw/zinc/84/91/84/310849184.db2.gz KHLRLMDGSLYQGJ-HNNXBMFYSA-N 0 0 332.331 3.018 10 5 EGBERN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000477995262 310852901 /nfs/dbraw/zinc/85/29/01/310852901.db2.gz ODHKWTNOJLLOLQ-LSDHHAIUSA-N 0 0 347.415 3.246 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000480557691 310896521 /nfs/dbraw/zinc/89/65/21/310896521.db2.gz SVVMMJCFARRDNT-WPRPVWTQSA-N 0 0 332.278 3.159 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000484769596 310969971 /nfs/dbraw/zinc/96/99/71/310969971.db2.gz KLXLOZIFKDOMHM-QGZVFWFLSA-N 0 0 335.404 3.356 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C ZINC000487135384 311012011 /nfs/dbraw/zinc/01/20/11/311012011.db2.gz MHHCZKCUUMMMHS-UHFFFAOYSA-N 0 0 344.323 3.201 10 5 EGBERN Cn1nccc1C1=CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487751932 311036768 /nfs/dbraw/zinc/03/67/68/311036768.db2.gz RQUIGDGGGMFGLW-UHFFFAOYSA-N 0 0 335.367 3.170 10 5 EGBERN COCCOc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000487920975 311042944 /nfs/dbraw/zinc/04/29/44/311042944.db2.gz RSBDSGHQULBYKT-UHFFFAOYSA-N 0 0 339.351 3.334 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488022142 311048161 /nfs/dbraw/zinc/04/81/61/311048161.db2.gz JKPQSAKDMISUET-ZDUSSCGKSA-N 0 0 339.823 3.478 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000488234266 311057562 /nfs/dbraw/zinc/05/75/62/311057562.db2.gz OZWKPLTXTJPFEH-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1OCCc2sccc21 ZINC000488749783 311078226 /nfs/dbraw/zinc/07/82/26/311078226.db2.gz SAVPNONZFKKIBJ-BJOHPYRUSA-N 0 0 344.396 3.069 10 5 EGBERN COCCN(Cc1csc([N+](=O)[O-])c1)Cc1scnc1C ZINC000489443897 311106080 /nfs/dbraw/zinc/10/60/80/311106080.db2.gz YEDSNHXSPABKHT-UHFFFAOYSA-N 0 0 327.431 3.070 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(C)(C)OC[C@@H]1C ZINC000489652897 311115840 /nfs/dbraw/zinc/11/58/40/311115840.db2.gz RXEGAHURLULGIA-JTQLQIEISA-N 0 0 326.780 3.196 10 5 EGBERN CC(C)(C)OC1CC(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000489853301 311122749 /nfs/dbraw/zinc/12/27/49/311122749.db2.gz LHPXGUCUYBPOHQ-UHFFFAOYSA-N 0 0 332.400 3.468 10 5 EGBERN Cc1cccc(Cl)c1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000489968168 311127696 /nfs/dbraw/zinc/12/76/96/311127696.db2.gz SQDBETHDYIVTBT-UHFFFAOYSA-N 0 0 345.786 3.079 10 5 EGBERN C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000492369901 311242901 /nfs/dbraw/zinc/24/29/01/311242901.db2.gz WTEVRPPOGDURJC-KGTBHZDVSA-N 0 0 341.323 3.394 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000499097022 311899507 /nfs/dbraw/zinc/89/95/07/311899507.db2.gz BCXNMKUVMSYXPI-GOEBONIOSA-N 0 0 349.431 3.301 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC3CCC(c4ccccc4)CC3)nn21 ZINC000502404241 311964212 /nfs/dbraw/zinc/96/42/12/311964212.db2.gz ZICVZNFVMQPGHM-UHFFFAOYSA-N 0 0 337.383 3.198 10 5 EGBERN COCCSc1ccc([C@@H](C)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000505598671 312027841 /nfs/dbraw/zinc/02/78/41/312027841.db2.gz XUYHJBSDPONIBT-GFCCVEGCSA-N 0 0 333.413 3.323 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507303909 312067776 /nfs/dbraw/zinc/06/77/76/312067776.db2.gz JVCCTFWAFVHVLD-GWCFXTLKSA-N 0 0 327.331 3.485 10 5 EGBERN CC(C)CC(CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000507567021 312077793 /nfs/dbraw/zinc/07/77/93/312077793.db2.gz MENACBVPPGNXDE-UHFFFAOYSA-N 0 0 334.463 3.395 10 5 EGBERN CCOc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000512504228 312188179 /nfs/dbraw/zinc/18/81/79/312188179.db2.gz ONJGFJGCFCTYLM-UHFFFAOYSA-N 0 0 330.315 3.336 10 5 EGBERN CCOc1cccc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000517065028 312361650 /nfs/dbraw/zinc/36/16/50/312361650.db2.gz AZBCFYKZBNRRHG-AWEZNQCLSA-N 0 0 342.395 3.456 10 5 EGBERN Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517644226 312386674 /nfs/dbraw/zinc/38/66/74/312386674.db2.gz BCBVMKVXYIVVGB-INIZCTEOSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000518441672 312417077 /nfs/dbraw/zinc/41/70/77/312417077.db2.gz NRDHEQTTZKHOFX-PXAZEXFGSA-N 0 0 346.408 3.115 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000524106198 312644684 /nfs/dbraw/zinc/64/46/84/312644684.db2.gz ZBPZYXTZTDZLPG-AWEZNQCLSA-N 0 0 341.367 3.136 10 5 EGBERN O=C(NCCCC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524736311 312675037 /nfs/dbraw/zinc/67/50/37/312675037.db2.gz QUQLTPUPUKKSIG-UHFFFAOYSA-N 0 0 347.415 3.338 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)OC)cc1 ZINC000531093967 313626468 /nfs/dbraw/zinc/62/64/68/313626468.db2.gz DKSBPJMXICGQKV-UHFFFAOYSA-N 0 0 330.340 3.140 10 5 EGBERN CCCCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531623806 313691835 /nfs/dbraw/zinc/69/18/35/313691835.db2.gz NRTPYNXBNJCDEZ-UHFFFAOYSA-N 0 0 329.356 3.099 10 5 EGBERN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882248 313725409 /nfs/dbraw/zinc/72/54/09/313725409.db2.gz VNJXKOWGYQGEQC-ZDUSSCGKSA-N 0 0 333.775 3.394 10 5 EGBERN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531886576 313726081 /nfs/dbraw/zinc/72/60/81/313726081.db2.gz CSOKBWGJMSGXTI-MRXNPFEDSA-N 0 0 331.347 3.126 10 5 EGBERN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000532393287 313793462 /nfs/dbraw/zinc/79/34/62/313793462.db2.gz ZRUOBWJAQJQZEJ-RNCFNFMXSA-N 0 0 335.722 3.068 10 5 EGBERN CCCN(CCc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532399208 313794902 /nfs/dbraw/zinc/79/49/02/313794902.db2.gz NQFGAGJYLNTDFZ-UHFFFAOYSA-N 0 0 331.347 3.224 10 5 EGBERN CCOc1ccccc1OCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245775 314034068 /nfs/dbraw/zinc/03/40/68/314034068.db2.gz GNGQEKASHLPRRB-UHFFFAOYSA-N 0 0 342.395 3.431 10 5 EGBERN COC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000535726848 314064102 /nfs/dbraw/zinc/06/41/02/314064102.db2.gz PKGUYCHKZYLKHM-UHFFFAOYSA-N 0 0 344.367 3.447 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N(CC(C)C)CC(F)(F)F ZINC000535879505 314081415 /nfs/dbraw/zinc/08/14/15/314081415.db2.gz ISOJTUNGOFSHSI-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000537138597 314163858 /nfs/dbraw/zinc/16/38/58/314163858.db2.gz YYQPSCZPSUSKEW-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000539098069 314296865 /nfs/dbraw/zinc/29/68/65/314296865.db2.gz BLYNNGSBGSVMJI-UHFFFAOYSA-N 0 0 341.245 3.025 10 5 EGBERN CCc1ccc(CCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000539780395 314336651 /nfs/dbraw/zinc/33/66/51/314336651.db2.gz LMSAKAWSMDTGIR-UHFFFAOYSA-N 0 0 339.395 3.070 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000543179069 314611173 /nfs/dbraw/zinc/61/11/73/314611173.db2.gz WFMTWXYPRKHXNY-AWEZNQCLSA-N 0 0 327.384 3.180 10 5 EGBERN Cc1ccc(SC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000545314491 314755709 /nfs/dbraw/zinc/75/57/09/314755709.db2.gz VGZWDHQMNNZNIH-LBPRGKRZSA-N 0 0 331.397 3.209 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000545581503 314771078 /nfs/dbraw/zinc/77/10/78/314771078.db2.gz SWMLWIFKOHEHCF-UHFFFAOYSA-N 0 0 325.280 3.349 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000133679292 454454048 /nfs/dbraw/zinc/45/40/48/454454048.db2.gz COBWUEQWCFPENR-UHFFFAOYSA-N 0 0 325.733 3.160 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546054250 314808351 /nfs/dbraw/zinc/80/83/51/314808351.db2.gz FMZNZUIIEPJLQL-HDJSIYSDSA-N 0 0 346.408 3.128 10 5 EGBERN CCN(CCC1CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000546183117 314815813 /nfs/dbraw/zinc/81/58/13/314815813.db2.gz SXGCZQFKHHSKFE-UHFFFAOYSA-N 0 0 346.836 3.367 10 5 EGBERN Cc1ccc(C(=O)NCc2ccncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000548711187 315037846 /nfs/dbraw/zinc/03/78/46/315037846.db2.gz MCSVOJVLMLYTRX-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548707031 315037896 /nfs/dbraw/zinc/03/78/96/315037896.db2.gz JWYFVWVOSWOLHX-UHFFFAOYSA-N 0 0 341.367 3.327 10 5 EGBERN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000548941752 315064838 /nfs/dbraw/zinc/06/48/38/315064838.db2.gz HHIWTVFUYYBSPU-VIFPVBQESA-N 0 0 348.668 3.005 10 5 EGBERN Cc1ccc(Cl)c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])nc12 ZINC000549199320 315081447 /nfs/dbraw/zinc/08/14/47/315081447.db2.gz LGLJQINHIFEXOU-UHFFFAOYSA-N 0 0 331.719 3.080 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H](OC(F)F)C2)nc1-c1ccccc1 ZINC000549259673 315083913 /nfs/dbraw/zinc/08/39/13/315083913.db2.gz KHGHWYDQACEXMV-LBPRGKRZSA-N 0 0 335.310 3.475 10 5 EGBERN CC(C)CC(=O)NCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551668581 315162884 /nfs/dbraw/zinc/16/28/84/315162884.db2.gz QFEZBEJKTFVPIE-UHFFFAOYSA-N 0 0 349.431 3.383 10 5 EGBERN CC(=O)c1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cs1 ZINC000551914259 315177828 /nfs/dbraw/zinc/17/78/28/315177828.db2.gz VFCJFURHCFXHHJ-UHFFFAOYSA-N 0 0 330.365 3.057 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000552224204 315207126 /nfs/dbraw/zinc/20/71/26/315207126.db2.gz NDBAULKTIPKPDH-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN C[C@@H]1CC[C@@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553328074 315258221 /nfs/dbraw/zinc/25/82/21/315258221.db2.gz CVEDZSYNDOSCIJ-SKDRFNHKSA-N 0 0 334.763 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000554747873 315346697 /nfs/dbraw/zinc/34/66/97/315346697.db2.gz ZKJRWTILDWOAGW-CYBMUJFWSA-N 0 0 345.330 3.168 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])NCC1CC(c2ccccc2)C1 ZINC000554981087 315360697 /nfs/dbraw/zinc/36/06/97/315360697.db2.gz JIJFENRKFJMFOV-UHFFFAOYSA-N 0 0 340.379 3.284 10 5 EGBERN O=C(NCCOCC1CCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000555242270 315375413 /nfs/dbraw/zinc/37/54/13/315375413.db2.gz VMRWXOIJBBMTAF-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000555261826 315376009 /nfs/dbraw/zinc/37/60/09/315376009.db2.gz BUGMPBKXNNKOCD-BPLDGKMQSA-N 0 0 336.779 3.275 10 5 EGBERN Cc1sc(C(=O)N2CCC(F)(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000556826186 315471434 /nfs/dbraw/zinc/47/14/34/315471434.db2.gz HTIUOADNUMEYEH-UHFFFAOYSA-N 0 0 349.387 3.461 10 5 EGBERN CCN(CC(F)F)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000558430904 315568085 /nfs/dbraw/zinc/56/80/85/315568085.db2.gz VCUICSRXKPTORT-UHFFFAOYSA-N 0 0 326.221 3.341 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC(c3ccccc3)C2)cc1 ZINC000558776193 315601431 /nfs/dbraw/zinc/60/14/31/315601431.db2.gz CFMPPIPXCXGPQW-UHFFFAOYSA-N 0 0 346.408 3.067 10 5 EGBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(C)C)C1 ZINC000558842241 315605869 /nfs/dbraw/zinc/60/58/69/315605869.db2.gz USQKNWLHRIQFAK-AWEZNQCLSA-N 0 0 329.404 3.356 10 5 EGBERN CC(C)CCC(=O)NCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560798061 315724681 /nfs/dbraw/zinc/72/46/81/315724681.db2.gz ULLFGTYDIKLWSA-UHFFFAOYSA-N 0 0 349.431 3.383 10 5 EGBERN C[C@H](C(=O)N1CC2CC1(C(F)(F)F)C2)c1cccc([N+](=O)[O-])c1 ZINC000563794473 316070067 /nfs/dbraw/zinc/07/00/67/316070067.db2.gz HSIXOCWFSCTRJS-IPWFMCSPSA-N 0 0 328.290 3.252 10 5 EGBERN O=C(CCc1ccsc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564141248 316116459 /nfs/dbraw/zinc/11/64/59/316116459.db2.gz YAVNQMDYQBOZRM-UHFFFAOYSA-N 0 0 343.408 3.429 10 5 EGBERN CS(=O)(=O)c1cccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000564892047 316227597 /nfs/dbraw/zinc/22/75/97/316227597.db2.gz FKZRTCQYRIGPEK-UHFFFAOYSA-N 0 0 348.380 3.064 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(C[S@@](C)=O)cc1 ZINC000565314265 316308646 /nfs/dbraw/zinc/30/86/46/316308646.db2.gz QNJLESDZRATOIF-HSZRJFAPSA-N 0 0 334.397 3.094 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000565775813 316368681 /nfs/dbraw/zinc/36/86/81/316368681.db2.gz AGMBWAFNNNBDSL-LLVKDONJSA-N 0 0 328.372 3.188 10 5 EGBERN Cc1ccc(-c2noc(-c3cnn4c3C[C@H](C)CC4)n2)cc1[N+](=O)[O-] ZINC000567351774 316604688 /nfs/dbraw/zinc/60/46/88/316604688.db2.gz ARZCWWIFOHHUOI-SNVBAGLBSA-N 0 0 339.355 3.399 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000567590159 316640199 /nfs/dbraw/zinc/64/01/99/316640199.db2.gz RVRLVTKXUZDNCH-SNVBAGLBSA-N 0 0 328.372 3.243 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000570563410 317073870 /nfs/dbraw/zinc/07/38/70/317073870.db2.gz GCLZVHNVVCSCNZ-CABCVRRESA-N 0 0 334.416 3.364 10 5 EGBERN O=C(c1cc(NCCOCC2CCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000571870552 317259153 /nfs/dbraw/zinc/25/91/53/317259153.db2.gz RIAKJJCVLWKZHC-UHFFFAOYSA-N 0 0 347.415 3.059 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000574115756 317562245 /nfs/dbraw/zinc/56/22/45/317562245.db2.gz AUOHDWVZWQGANK-AULYBMBSSA-N 0 0 333.775 3.263 10 5 EGBERN CO[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1(C)C ZINC000574962452 317656907 /nfs/dbraw/zinc/65/69/07/317656907.db2.gz RUMWLFXGPRHHLZ-MNOVXSKESA-N 0 0 346.305 3.157 10 5 EGBERN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000007929575 323211241 /nfs/dbraw/zinc/21/12/41/323211241.db2.gz CDUHYLLYBZBJQP-UHFFFAOYSA-N 0 0 333.775 3.319 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000176279901 323328367 /nfs/dbraw/zinc/32/83/67/323328367.db2.gz GNOWPMTZDZGAPK-AWEZNQCLSA-N 0 0 346.412 3.488 10 5 EGBERN CCc1ccc(-c2nc(-c3ccc(OC)nc3)no2)cc1[N+](=O)[O-] ZINC000178214638 323353928 /nfs/dbraw/zinc/35/39/28/323353928.db2.gz QQMNOOVFTYBQDE-UHFFFAOYSA-N 0 0 326.312 3.278 10 5 EGBERN CCn1c2ccc(F)cc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000181479047 323485740 /nfs/dbraw/zinc/48/57/40/323485740.db2.gz UNPAKTYJGACYCK-UHFFFAOYSA-N 0 0 343.318 3.059 10 5 EGBERN CN1CCc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 ZINC000183050987 323592188 /nfs/dbraw/zinc/59/21/88/323592188.db2.gz POHINTSOKPGWSD-UHFFFAOYSA-N 0 0 336.351 3.321 10 5 EGBERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000184126034 323642827 /nfs/dbraw/zinc/64/28/27/323642827.db2.gz UHGJANKVNWSIDG-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN CCc1nc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c(C)o1 ZINC000350161436 324058916 /nfs/dbraw/zinc/05/89/16/324058916.db2.gz ISULGOZOEHJANM-UHFFFAOYSA-N 0 0 344.327 3.103 10 5 EGBERN CC(C)(COCC(F)F)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350255540 324065315 /nfs/dbraw/zinc/06/53/15/324065315.db2.gz UCFGABQYJBDSFF-UHFFFAOYSA-N 0 0 333.316 3.266 10 5 EGBERN O=C1CCC(c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 ZINC000350507375 324082885 /nfs/dbraw/zinc/08/28/85/324082885.db2.gz MMJPYYPZKQPYPP-UHFFFAOYSA-N 0 0 340.339 3.277 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000350612777 324107547 /nfs/dbraw/zinc/10/75/47/324107547.db2.gz URMOTTTZGYGDQL-FZMZJTMJSA-N 0 0 342.355 3.121 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 ZINC000576072616 324540180 /nfs/dbraw/zinc/54/01/80/324540180.db2.gz QPFMVMVREXNUSJ-AOOOYVTPSA-N 0 0 348.325 3.004 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCCO1 ZINC000578873622 325031039 /nfs/dbraw/zinc/03/10/39/325031039.db2.gz AHXDYNLHZXUXHF-UHFFFAOYSA-N 0 0 347.293 3.241 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000578917511 325036882 /nfs/dbraw/zinc/03/68/82/325036882.db2.gz UZYITFXGZVLOOD-PHIMTYICSA-N 0 0 345.321 3.491 10 5 EGBERN Cc1c(NC(=O)NCCCF)cc(Br)cc1[N+](=O)[O-] ZINC000579791849 325158254 /nfs/dbraw/zinc/15/82/54/325158254.db2.gz LITKBZLHGMVRAK-UHFFFAOYSA-N 0 0 334.145 3.147 10 5 EGBERN C[C@@H](COc1ccccc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000579864512 325169489 /nfs/dbraw/zinc/16/94/89/325169489.db2.gz HFQIDAIQZLUBBQ-HNNXBMFYSA-N 0 0 342.395 3.311 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCCCO[C@H]1CCCCO1)CCCC2 ZINC000580642927 325277367 /nfs/dbraw/zinc/27/73/67/325277367.db2.gz NZDXSIISBQCSJP-INIZCTEOSA-N 0 0 335.404 3.214 10 5 EGBERN CC(=Cc1nc(-c2ccc3n[nH]nc3c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000581761403 325388703 /nfs/dbraw/zinc/38/87/03/325388703.db2.gz KLYSTUYYTJFGIZ-CSKARUKUSA-N 0 0 348.322 3.477 10 5 EGBERN O=c1c2ccc([N+](=O)[O-])cc2ccn1Cc1ccn(C2CCCC2)n1 ZINC000582786095 325469547 /nfs/dbraw/zinc/46/95/47/325469547.db2.gz VUYGIEIIFIJKPN-UHFFFAOYSA-N 0 0 338.367 3.270 10 5 EGBERN NC(=O)c1ccnc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000583236291 325506230 /nfs/dbraw/zinc/50/62/30/325506230.db2.gz HRWVVOLSKADDRH-UMSPYCQHSA-N 0 0 346.774 3.100 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn2c(n1)CCC2 ZINC000583501178 325529557 /nfs/dbraw/zinc/52/95/57/325529557.db2.gz ZPIVKANJRYVOCG-UHFFFAOYSA-N 0 0 340.261 3.009 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183058052 455219054 /nfs/dbraw/zinc/21/90/54/455219054.db2.gz YNCQPVSIEXFHSN-NXEZZACHSA-N 0 0 328.315 3.457 10 5 EGBERN COc1cccc(Cl)c1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000158056406 455264010 /nfs/dbraw/zinc/26/40/10/455264010.db2.gz PNBUNTYVJUGBKQ-UHFFFAOYSA-N 0 0 348.786 3.158 10 5 EGBERN Cc1cc(O[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007419255 453074705 /nfs/dbraw/zinc/07/47/05/453074705.db2.gz OMNXNODVVOQKQM-QGZVFWFLSA-N 0 0 326.352 3.302 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000007949712 453138887 /nfs/dbraw/zinc/13/88/87/453138887.db2.gz VYMOHPGNSPNWBK-YVEFUNNKSA-N 0 0 326.352 3.118 10 5 EGBERN Cc1nn(Cc2nc(-c3ccccc3Cl)no2)c(C)c1[N+](=O)[O-] ZINC000008221832 453177846 /nfs/dbraw/zinc/17/78/46/453177846.db2.gz WJHUGRCMZMLSDL-UHFFFAOYSA-N 0 0 333.735 3.160 10 5 EGBERN CCCN(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000600763161 460594955 /nfs/dbraw/zinc/59/49/55/460594955.db2.gz RPCQKEVYIBRJAN-UHFFFAOYSA-N 0 0 328.372 3.397 10 5 EGBERN Cc1ccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600777322 460599797 /nfs/dbraw/zinc/59/97/97/460599797.db2.gz ZTQJZDAGYJKIIF-HNNXBMFYSA-N 0 0 326.352 3.239 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000014483480 453537513 /nfs/dbraw/zinc/53/75/13/453537513.db2.gz SGUATEYJWXRJKU-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN CC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015178706 453561443 /nfs/dbraw/zinc/56/14/43/453561443.db2.gz JUOCTONPRYGCAR-GFCCVEGCSA-N 0 0 341.367 3.386 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000016966522 453625507 /nfs/dbraw/zinc/62/55/07/453625507.db2.gz YFRIIMXUNLKXJJ-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN CC(C)(C)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000018042733 453642121 /nfs/dbraw/zinc/64/21/21/453642121.db2.gz NUHXKRZQRHSKAP-UHFFFAOYSA-N 0 0 339.823 3.333 10 5 EGBERN Cc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000022050691 453686693 /nfs/dbraw/zinc/68/66/93/453686693.db2.gz PYIDDFNTGGRLRB-UHFFFAOYSA-N 0 0 344.411 3.367 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000024311929 453730244 /nfs/dbraw/zinc/73/02/44/453730244.db2.gz YQMOMSTWIVNAIL-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCOCC3)cc2)c(F)c1 ZINC000029587897 453829970 /nfs/dbraw/zinc/82/99/70/453829970.db2.gz BBDYKBONDLBWOM-UHFFFAOYSA-N 0 0 345.374 3.178 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1noc(-c2ccc(F)cc2)n1 ZINC000031674143 453851675 /nfs/dbraw/zinc/85/16/75/453851675.db2.gz JIJMZHXEZICBBV-UHFFFAOYSA-N 0 0 345.286 3.372 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000031930666 453858625 /nfs/dbraw/zinc/85/86/25/453858625.db2.gz QMZDYNANBUFRIP-MRXNPFEDSA-N 0 0 346.770 3.210 10 5 EGBERN COC(=O)c1cc(N[C@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000075145331 453866567 /nfs/dbraw/zinc/86/65/67/453866567.db2.gz KGSDOYBPNKMZJE-MRXNPFEDSA-N 0 0 344.367 3.307 10 5 EGBERN O=C(Nc1cccnc1)c1ccc(Oc2ccncc2[N+](=O)[O-])cc1 ZINC000066810788 453875784 /nfs/dbraw/zinc/87/57/84/453875784.db2.gz NFZRVHPFTKHWEH-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000033067192 453903513 /nfs/dbraw/zinc/90/35/13/453903513.db2.gz NQSCVKUHHTVZEU-UHFFFAOYSA-N 0 0 331.353 3.102 10 5 EGBERN COc1ccc(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1F ZINC000076092549 453962933 /nfs/dbraw/zinc/96/29/33/453962933.db2.gz CDNSDXUCKVBUAI-UHFFFAOYSA-N 0 0 328.303 3.049 10 5 EGBERN Cc1nn(C)c2ncc(C(=O)Oc3cc([N+](=O)[O-])ccc3Cl)cc12 ZINC000076093373 453962984 /nfs/dbraw/zinc/96/29/84/453962984.db2.gz JJSHQQMWONCNJA-UHFFFAOYSA-N 0 0 346.730 3.058 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Br ZINC000042162686 453998618 /nfs/dbraw/zinc/99/86/18/453998618.db2.gz NZNMAZFKOVNMJK-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN O=C(NCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000068347900 454018778 /nfs/dbraw/zinc/01/87/78/454018778.db2.gz AUVLITWAAHJYRA-UHFFFAOYSA-N 0 0 346.393 3.105 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068405791 454023924 /nfs/dbraw/zinc/02/39/24/454023924.db2.gz HQWFKLUICQVNNF-KWOWKCNFSA-N 0 0 329.400 3.315 10 5 EGBERN COC(=O)/C=C/c1ccc(NCc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000076852838 454043736 /nfs/dbraw/zinc/04/37/36/454043736.db2.gz DZZHTWYEGSJVJZ-QPJJXVBHSA-N 0 0 347.758 3.442 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1c(F)cccc1F ZINC000087142106 454065897 /nfs/dbraw/zinc/06/58/97/454065897.db2.gz SAUDNRCBLKNSRR-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN O=C(Cn1nccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCCCC1 ZINC000057507553 454133053 /nfs/dbraw/zinc/13/30/53/454133053.db2.gz SHRRUHQXOJLJSF-GOSISDBHSA-N 0 0 342.399 3.229 10 5 EGBERN CCOc1cc(N2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000089601757 454166405 /nfs/dbraw/zinc/16/64/05/454166405.db2.gz KABFRFIGGZHDQW-SFHVURJKSA-N 0 0 344.367 3.277 10 5 EGBERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000089830104 454210680 /nfs/dbraw/zinc/21/06/80/454210680.db2.gz UKSBMPYYOFIACD-CQSZACIVSA-N 0 0 338.285 3.498 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000058727921 454228729 /nfs/dbraw/zinc/22/87/29/454228729.db2.gz LABFADIWYFTKHZ-ZDUSSCGKSA-N 0 0 330.365 3.180 10 5 EGBERN Cc1c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cnn1C ZINC000095945508 454235345 /nfs/dbraw/zinc/23/53/45/454235345.db2.gz VEBPYIXQCAENIS-AWEZNQCLSA-N 0 0 348.790 3.267 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000078401939 454247045 /nfs/dbraw/zinc/24/70/45/454247045.db2.gz HADHXZCSZYGNRF-UHFFFAOYSA-N 0 0 338.367 3.424 10 5 EGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCSCC1 ZINC000089979977 454251897 /nfs/dbraw/zinc/25/18/97/454251897.db2.gz KHPSZMWWXYKFQU-SNVBAGLBSA-N 0 0 343.836 3.014 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc(=O)n(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090090258 454276702 /nfs/dbraw/zinc/27/67/02/454276702.db2.gz RMKNHPQAMRJCTJ-HNNXBMFYSA-N 0 0 344.371 3.049 10 5 EGBERN CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000090223167 454295426 /nfs/dbraw/zinc/29/54/26/454295426.db2.gz SFYJZQCBDBRBDV-KRWDZBQOSA-N 0 0 348.424 3.474 10 5 EGBERN COc1ccc(-c2noc([C@@H](C)Oc3cccnc3[N+](=O)[O-])n2)cc1 ZINC000132038515 454307852 /nfs/dbraw/zinc/30/78/52/454307852.db2.gz FYTBFDPDFSZHPI-SNVBAGLBSA-N 0 0 342.311 3.188 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000072595124 454314635 /nfs/dbraw/zinc/31/46/35/454314635.db2.gz GWAUHUASDSOYNY-LLVKDONJSA-N 0 0 344.371 3.413 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000060921771 454319501 /nfs/dbraw/zinc/31/95/01/454319501.db2.gz HZFAHRZXQVTVDL-AWEZNQCLSA-N 0 0 340.445 3.493 10 5 EGBERN Cc1oc(-c2ccco2)nc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000078822878 454325310 /nfs/dbraw/zinc/32/53/10/454325310.db2.gz IRBPSYWQKQIUJX-UHFFFAOYSA-N 0 0 335.703 3.015 10 5 EGBERN CC(C)N(CC(C)(C)O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000079108976 454369787 /nfs/dbraw/zinc/36/97/87/454369787.db2.gz ZCZMOVQEQMQEDY-UHFFFAOYSA-N 0 0 329.784 3.261 10 5 EGBERN CCc1ccc([C@@H](COC)NC(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000133449743 454427114 /nfs/dbraw/zinc/42/71/14/454427114.db2.gz QTRZTFLBKBVIIA-LLVKDONJSA-N 0 0 338.385 3.238 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434217 454435064 /nfs/dbraw/zinc/43/50/64/454435064.db2.gz DFVZNYWATLGZNO-MNOVXSKESA-N 0 0 346.305 3.211 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1-n1ccnc1 ZINC000091506286 454442998 /nfs/dbraw/zinc/44/29/98/454442998.db2.gz PPWJWSDMRYSANY-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN COc1ccccc1COC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000091689731 454458738 /nfs/dbraw/zinc/45/87/38/454458738.db2.gz LLMFSYRBPTYCFH-UHFFFAOYSA-N 0 0 343.383 3.184 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000133804228 454469400 /nfs/dbraw/zinc/46/94/00/454469400.db2.gz GYFLSIZJAAWBQH-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242263 454469612 /nfs/dbraw/zinc/46/96/12/454469612.db2.gz ZSLNWPOTYJPSHY-UHFFFAOYSA-N 0 0 346.817 3.130 10 5 EGBERN Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000133959390 454487949 /nfs/dbraw/zinc/48/79/49/454487949.db2.gz XTHIYGVDGJGSFJ-PWSUYJOCSA-N 0 0 333.294 3.319 10 5 EGBERN COC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)c1ccccc1 ZINC000091981836 454498616 /nfs/dbraw/zinc/49/86/16/454498616.db2.gz HHCFHLOKYCJBDD-MRXNPFEDSA-N 0 0 344.367 3.489 10 5 EGBERN COC(=O)[C@H](C)[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000079923343 454500040 /nfs/dbraw/zinc/50/00/40/454500040.db2.gz JPUYZKNFLMAPNY-IAQYHMDHSA-N 0 0 334.397 3.296 10 5 EGBERN Cc1ccc(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000134088824 454502603 /nfs/dbraw/zinc/50/26/03/454502603.db2.gz BWWFAQKRVQSBNS-UHFFFAOYSA-N 0 0 328.328 3.178 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@]2(CCCOC2)C1 ZINC000079998202 454514581 /nfs/dbraw/zinc/51/45/81/454514581.db2.gz YDRQVBQKCFUROZ-GOSISDBHSA-N 0 0 343.383 3.109 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc[nH]3)cc2[N+](=O)[O-])C1 ZINC000074123918 454534270 /nfs/dbraw/zinc/53/42/70/454534270.db2.gz YURIEOMQWHSPLN-CYBMUJFWSA-N 0 0 342.399 3.089 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134408751 454538407 /nfs/dbraw/zinc/53/84/07/454538407.db2.gz OHZAVOGHXOKKHJ-ZBFHGGJFSA-N 0 0 348.362 3.066 10 5 EGBERN COc1ccc([C@H]2CCN(c3nc(OC)ccc3[N+](=O)[O-])C2)cc1 ZINC000080227225 454552656 /nfs/dbraw/zinc/55/26/56/454552656.db2.gz GLJVWCJKDUMDCV-ZDUSSCGKSA-N 0 0 329.356 3.001 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134623084 454570284 /nfs/dbraw/zinc/57/02/84/454570284.db2.gz CPWAELOEAMNIGV-IAQYHMDHSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000074660648 454614753 /nfs/dbraw/zinc/61/47/53/454614753.db2.gz RRPFFCMOMKWESO-CYBMUJFWSA-N 0 0 328.372 3.185 10 5 EGBERN Cc1sc(C(=O)NC[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000080756770 454628456 /nfs/dbraw/zinc/62/84/56/454628456.db2.gz NQEBLFSIJYPHRM-VIFPVBQESA-N 0 0 338.360 3.301 10 5 EGBERN O=C(NC1CCN(c2ccc([N+](=O)[O-])s2)CC1)C1CCCCC1 ZINC000065945971 454642183 /nfs/dbraw/zinc/64/21/83/454642183.db2.gz ZAJVXYKSWAWVTF-UHFFFAOYSA-N 0 0 337.445 3.322 10 5 EGBERN Cc1cnn([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000105908381 454668442 /nfs/dbraw/zinc/66/84/42/454668442.db2.gz QESYYBBZXYLGLD-ZDUSSCGKSA-N 0 0 348.790 3.230 10 5 EGBERN O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161552871 454702908 /nfs/dbraw/zinc/70/29/08/454702908.db2.gz BELOVQXWBKJWLF-UHFFFAOYSA-N 0 0 339.307 3.100 10 5 EGBERN Cc1nc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000176452834 454746979 /nfs/dbraw/zinc/74/69/79/454746979.db2.gz BMGVBJWHGQPAOB-NSHDSACASA-N 0 0 340.426 3.344 10 5 EGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)s1 ZINC000124587133 454750431 /nfs/dbraw/zinc/75/04/31/454750431.db2.gz LLJCKSBFVQGHIH-UHFFFAOYSA-N 0 0 340.426 3.005 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccn(-c3ccccc3)n1)C2 ZINC000153027360 454753859 /nfs/dbraw/zinc/75/38/59/454753859.db2.gz NGPFPZYPGYUWNO-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN COC(=O)[C@H](c1ccccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153102256 454760647 /nfs/dbraw/zinc/76/06/47/454760647.db2.gz CBYOWNNYXDXBCM-KRWDZBQOSA-N 0 0 344.342 3.006 10 5 EGBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@@H]2c2nccs2)c1 ZINC000137016237 454764923 /nfs/dbraw/zinc/76/49/23/454764923.db2.gz CQVRWCDABKWRFL-CABCVRRESA-N 0 0 333.413 3.312 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000176684831 454771726 /nfs/dbraw/zinc/77/17/26/454771726.db2.gz RFNIAIAVZUHLHP-CQSZACIVSA-N 0 0 334.401 3.344 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-n3ccnc3)cc1)C2 ZINC000153375031 454787873 /nfs/dbraw/zinc/78/78/73/454787873.db2.gz AQEOGVIITWWYHO-UHFFFAOYSA-N 0 0 334.379 3.339 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000139014170 454801049 /nfs/dbraw/zinc/80/10/49/454801049.db2.gz AJDAFSXCTWACPH-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000139738747 454811160 /nfs/dbraw/zinc/81/11/60/454811160.db2.gz ZEZPTSIUSCVQEN-UHFFFAOYSA-N 0 0 334.397 3.339 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177118603 454825439 /nfs/dbraw/zinc/82/54/39/454825439.db2.gz PBBXKIKOYAFQQA-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1ccccc1F ZINC000177198176 454835519 /nfs/dbraw/zinc/83/55/19/454835519.db2.gz VSEFEFUSHRJLDN-ZDUSSCGKSA-N 0 0 347.346 3.025 10 5 EGBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Oc1ccccc1F ZINC000177198187 454835617 /nfs/dbraw/zinc/83/56/17/454835617.db2.gz VSEFEFUSHRJLDN-CYBMUJFWSA-N 0 0 347.346 3.025 10 5 EGBERN C[C@H](CCC(C)(C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154094967 454865340 /nfs/dbraw/zinc/86/53/40/454865340.db2.gz IHLXYROUATUGST-GFCCVEGCSA-N 0 0 328.434 3.229 10 5 EGBERN CC(C)CC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000126052439 454866960 /nfs/dbraw/zinc/86/69/60/454866960.db2.gz QSRZTHBUSPQLNF-UHFFFAOYSA-N 0 0 326.418 3.237 10 5 EGBERN CCO[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000150811665 454895944 /nfs/dbraw/zinc/89/59/44/454895944.db2.gz KGILHRSCWGXAOH-HZPDHXFCSA-N 0 0 343.383 3.154 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCC[C@@H]3CCCC[C@@H]3O)cc2N1 ZINC000154517925 454903657 /nfs/dbraw/zinc/90/36/57/454903657.db2.gz WVIWSKUNOKWEGU-SJCJKPOMSA-N 0 0 347.415 3.223 10 5 EGBERN Cc1cccc([C@H](C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000154668180 454917586 /nfs/dbraw/zinc/91/75/86/454917586.db2.gz YOSGLVWGNUBOBQ-CQSZACIVSA-N 0 0 348.424 3.126 10 5 EGBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1c(C)cccc1C ZINC000170598188 454937777 /nfs/dbraw/zinc/93/77/77/454937777.db2.gz NAFYQDWJNAQHEI-KRWDZBQOSA-N 0 0 328.368 3.216 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154922356 454942857 /nfs/dbraw/zinc/94/28/57/454942857.db2.gz QXHKDKLHOFSUHU-LLVKDONJSA-N 0 0 330.388 3.346 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccccc3F)n2)c1=O ZINC000127289961 454951429 /nfs/dbraw/zinc/95/14/29/454951429.db2.gz RLNMENOAQGBKLB-UHFFFAOYSA-N 0 0 345.355 3.376 10 5 EGBERN Cc1sc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000170692902 454958508 /nfs/dbraw/zinc/95/85/08/454958508.db2.gz VWSONIVNMJUPLX-CYBMUJFWSA-N 0 0 331.397 3.291 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(C)C)c2)n1 ZINC000191552685 455495838 /nfs/dbraw/zinc/49/58/38/455495838.db2.gz WBKSZNJYWNURLO-UHFFFAOYSA-N 0 0 332.360 3.098 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000127477322 454969005 /nfs/dbraw/zinc/96/90/05/454969005.db2.gz XVWZXBWSPFBJHK-CQSZACIVSA-N 0 0 328.368 3.202 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CCO2)o1 ZINC000127477756 454969178 /nfs/dbraw/zinc/96/91/78/454969178.db2.gz FIBZDPSJDQWWGY-OAHLLOKOSA-N 0 0 330.340 3.018 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000127651795 454984980 /nfs/dbraw/zinc/98/49/80/454984980.db2.gz LRJQQSUNRVTLCC-UHFFFAOYSA-N 0 0 332.257 3.123 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c1[N+](=O)[O-] ZINC000127660106 454985867 /nfs/dbraw/zinc/98/58/67/454985867.db2.gz WNAHVPDLHZLOKT-GFCCVEGCSA-N 0 0 344.415 3.326 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000170891322 454995360 /nfs/dbraw/zinc/99/53/60/454995360.db2.gz RLQBKYRPIOKELI-LLVKDONJSA-N 0 0 332.385 3.463 10 5 EGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(Br)cn1C ZINC000151513679 454996047 /nfs/dbraw/zinc/99/60/47/454996047.db2.gz JQGAWYHQGBCFEW-UHFFFAOYSA-N 0 0 344.234 3.389 10 5 EGBERN CCC[C@@H]1CN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000179263148 455025649 /nfs/dbraw/zinc/02/56/49/455025649.db2.gz YRYIJULBTCDNKE-HZPDHXFCSA-N 0 0 335.404 3.256 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128309116 455044852 /nfs/dbraw/zinc/04/48/52/455044852.db2.gz LBWWIBCCMRDATL-RYUDHWBXSA-N 0 0 331.338 3.224 10 5 EGBERN CCOc1ccc(C(=O)NCCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000116208249 455047975 /nfs/dbraw/zinc/04/79/75/455047975.db2.gz GAFSGMHSVBZJHX-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H](OCC)C23CCC3)cc1[N+](=O)[O-] ZINC000152500561 455127882 /nfs/dbraw/zinc/12/78/82/455127882.db2.gz PCQPNTVEJLYLGQ-JKSUJKDBSA-N 0 0 348.399 3.071 10 5 EGBERN Cc1n[nH]c2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc12 ZINC000180344975 455159946 /nfs/dbraw/zinc/15/99/46/455159946.db2.gz WKDNWYPESBYQFX-UHFFFAOYSA-N 0 0 340.339 3.187 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000157014929 455161463 /nfs/dbraw/zinc/16/14/63/455161463.db2.gz FMPSYSCYOPFZFK-LLVKDONJSA-N 0 0 329.360 3.084 10 5 EGBERN CCc1cnc(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])s1 ZINC000172782669 455187754 /nfs/dbraw/zinc/18/77/54/455187754.db2.gz GRPPIGKZPMXCNG-FNORWQNLSA-N 0 0 347.396 3.412 10 5 EGBERN CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183049348 455217718 /nfs/dbraw/zinc/21/77/18/455217718.db2.gz AAANGVJVOBFKJU-DOMZBBRYSA-N 0 0 336.388 3.058 10 5 EGBERN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000158221676 455280987 /nfs/dbraw/zinc/28/09/87/455280987.db2.gz BKQKCIXYJQCYCE-QMMMGPOBSA-N 0 0 337.767 3.032 10 5 EGBERN CC(C)c1ccc(CNc2nc(-c3nccn3C)no2)cc1[N+](=O)[O-] ZINC000181531074 455350389 /nfs/dbraw/zinc/35/03/89/455350389.db2.gz LOZIOXSCSWQSFB-UHFFFAOYSA-N 0 0 342.359 3.114 10 5 EGBERN CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184098859 455352947 /nfs/dbraw/zinc/35/29/47/455352947.db2.gz ABWPLOWEXCTUEJ-UHFFFAOYSA-N 0 0 348.424 3.335 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)cn2)c1 ZINC000181638726 455366838 /nfs/dbraw/zinc/36/68/38/455366838.db2.gz MRGWARXCRQIIEQ-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC2(CC2)c2ccccc21 ZINC000265747876 455373453 /nfs/dbraw/zinc/37/34/53/455373453.db2.gz XXXOQZKSKKRXTJ-UHFFFAOYSA-N 0 0 342.326 3.191 10 5 EGBERN C[C@@H]1CCOCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160087167 455427549 /nfs/dbraw/zinc/42/75/49/455427549.db2.gz TVFOGHDAQZEMFE-SECBINFHSA-N 0 0 347.293 3.256 10 5 EGBERN C[C@H](c1ccccc1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182178104 455453917 /nfs/dbraw/zinc/45/39/17/455453917.db2.gz BSIWEYZXDWTYKM-CQSZACIVSA-N 0 0 348.424 3.062 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000266861139 455464099 /nfs/dbraw/zinc/46/40/99/455464099.db2.gz GZYYLCNRPBZYRS-OAHLLOKOSA-N 0 0 343.383 3.309 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000191447064 455485477 /nfs/dbraw/zinc/48/54/77/455485477.db2.gz UAKGEZFVQDVTMA-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000191489225 455490144 /nfs/dbraw/zinc/49/01/44/455490144.db2.gz BHHHGPVNOAZHAE-LBPRGKRZSA-N 0 0 336.779 3.346 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000191501601 455491108 /nfs/dbraw/zinc/49/11/08/455491108.db2.gz HPMDIPJKGRKNHF-LBPRGKRZSA-N 0 0 346.387 3.089 10 5 EGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000246487919 455499274 /nfs/dbraw/zinc/49/92/74/455499274.db2.gz JWIZKCAFSDJWGW-UHOFOFEASA-N 0 0 340.807 3.017 10 5 EGBERN Cc1cc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000182404292 455507159 /nfs/dbraw/zinc/50/71/59/455507159.db2.gz JIPGTOSBXSDLJD-INIZCTEOSA-N 0 0 335.404 3.029 10 5 EGBERN CC[C@@H](NC(=O)NCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000175921492 455515957 /nfs/dbraw/zinc/51/59/57/455515957.db2.gz AZSFLSKXJXQERJ-MRXNPFEDSA-N 0 0 328.372 3.249 10 5 EGBERN O=[N+]([O-])c1cn(Cc2ccn(-c3ccc(F)cc3)n2)nc1C1CC1 ZINC000185179903 455517123 /nfs/dbraw/zinc/51/71/23/455517123.db2.gz ADIMLNGFEGMGOR-UHFFFAOYSA-N 0 0 327.319 3.042 10 5 EGBERN CC[C@@H](NC(=O)NCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000175996693 455525659 /nfs/dbraw/zinc/52/56/59/455525659.db2.gz KUSXZSFDFLEHQR-OAHLLOKOSA-N 0 0 332.360 3.150 10 5 EGBERN COC(=O)c1cc(Oc2nc(CC(C)C)ns2)ccc1[N+](=O)[O-] ZINC000185409309 455555922 /nfs/dbraw/zinc/55/59/22/455555922.db2.gz DAKVHPZLLOXWMT-UHFFFAOYSA-N 0 0 337.357 3.224 10 5 EGBERN CCOC(=O)C[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000185523519 455572620 /nfs/dbraw/zinc/57/26/20/455572620.db2.gz UCLNYPWZJLIPQN-KRWDZBQOSA-N 0 0 336.388 3.001 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(Br)s1 ZINC000192406658 455608879 /nfs/dbraw/zinc/60/88/79/455608879.db2.gz BAEFBWUZFGFQBR-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN Cc1csc(C2(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCC2)n1 ZINC000284067575 455632023 /nfs/dbraw/zinc/63/20/23/455632023.db2.gz KLTZCPNJWYBEPY-UHFFFAOYSA-N 0 0 348.384 3.437 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000271489144 455656947 /nfs/dbraw/zinc/65/69/47/455656947.db2.gz JPPJIFMTYVYQLW-UHFFFAOYSA-N 0 0 345.403 3.388 10 5 EGBERN C[C@@H](NC(=O)N[C@H](CCO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271707054 455728942 /nfs/dbraw/zinc/72/89/42/455728942.db2.gz IVIVVJAIZSZXIP-CZUORRHYSA-N 0 0 349.431 3.286 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000186362149 455751834 /nfs/dbraw/zinc/75/18/34/455751834.db2.gz QJHAUKZGECFWCI-JIIJFUIFSA-N 0 0 340.383 3.475 10 5 EGBERN CO[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000251436005 455790881 /nfs/dbraw/zinc/79/08/81/455790881.db2.gz AVDYPZLVFIXKGJ-BLLLJJGKSA-N 0 0 331.372 3.107 10 5 EGBERN COc1ccc(F)cc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000186665849 455814358 /nfs/dbraw/zinc/81/43/58/455814358.db2.gz JYZHIXRDFNRSDG-LLVKDONJSA-N 0 0 344.342 3.263 10 5 EGBERN CO[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000294503794 455818091 /nfs/dbraw/zinc/81/80/91/455818091.db2.gz JXVCCNKMJANCAT-QGZVFWFLSA-N 0 0 336.391 3.248 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N(C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000269350218 455840731 /nfs/dbraw/zinc/84/07/31/455840731.db2.gz RQJQNGOBYWCQKU-UHFFFAOYSA-N 0 0 336.779 3.367 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187006933 455862253 /nfs/dbraw/zinc/86/22/53/455862253.db2.gz OCSJFQNTZMSXBV-OCCSQVGLSA-N 0 0 335.404 3.221 10 5 EGBERN CC(C)N(CC(=O)N1CCCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000285582775 455875012 /nfs/dbraw/zinc/87/50/12/455875012.db2.gz IHMZGVLWLGCYNK-UHFFFAOYSA-N 0 0 339.461 3.269 10 5 EGBERN CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280324038 455947748 /nfs/dbraw/zinc/94/77/48/455947748.db2.gz QPGYECLJUFGBFG-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN COC(=O)c1cccc(OCc2c(C)cc(C)nc2C)c1[N+](=O)[O-] ZINC000601083714 460703372 /nfs/dbraw/zinc/70/33/72/460703372.db2.gz LHJLWOIDHWOPDH-UHFFFAOYSA-N 0 0 330.340 3.281 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000187858457 455962062 /nfs/dbraw/zinc/96/20/62/455962062.db2.gz BGHNQAPMDXJVBO-FZMZJTMJSA-N 0 0 338.429 3.204 10 5 EGBERN Cc1c(NC(=O)[C@H]2CCCS2)cc(Br)cc1[N+](=O)[O-] ZINC000280493517 455983091 /nfs/dbraw/zinc/98/30/91/455983091.db2.gz DHGNTKIZRSCARW-LLVKDONJSA-N 0 0 345.218 3.500 10 5 EGBERN CC[C@@H](NC(=O)c1cc(O)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188136012 456006832 /nfs/dbraw/zinc/00/68/32/456006832.db2.gz KXDHOPSZYXEUKN-OAHLLOKOSA-N 0 0 330.340 3.190 10 5 EGBERN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780217 456037380 /nfs/dbraw/zinc/03/73/80/456037380.db2.gz ONSLUYXHLRXOTP-HOCLYGCPSA-N 0 0 334.326 3.125 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1c1ccncc1 ZINC000601104398 460711748 /nfs/dbraw/zinc/71/17/48/460711748.db2.gz VRBIXMYMMORSTN-JTQLQIEISA-N 0 0 341.293 3.084 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)=C(Br)C1 ZINC000280808735 456056662 /nfs/dbraw/zinc/05/66/62/456056662.db2.gz MUTGKJAJYWMFRZ-UHFFFAOYSA-N 0 0 339.189 3.418 10 5 EGBERN CCN(CCC(F)(F)F)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601108655 460713681 /nfs/dbraw/zinc/71/36/81/460713681.db2.gz IBPAPNDZJVHXQM-UHFFFAOYSA-N 0 0 334.220 3.126 10 5 EGBERN CC(C)c1ccc2c(c1)CCCN2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270986155 456087845 /nfs/dbraw/zinc/08/78/45/456087845.db2.gz JZTOYISFQKHZAP-UHFFFAOYSA-N 0 0 328.372 3.045 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCN3CCCC[C@H]3C2)c(Br)c1 ZINC000301381085 456103172 /nfs/dbraw/zinc/10/31/72/456103172.db2.gz UMGXMYMLYJPCIK-LBPRGKRZSA-N 0 0 340.221 3.032 10 5 EGBERN CC(C)(C)[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271111211 456128706 /nfs/dbraw/zinc/12/87/06/456128706.db2.gz IWPJNLHUYOUXDF-BDJLRTHQSA-N 0 0 345.399 3.400 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cn(C)nc1C(C)C ZINC000281123547 456141067 /nfs/dbraw/zinc/14/10/67/456141067.db2.gz UNXCKWPYRBTPMX-UHFFFAOYSA-N 0 0 333.348 3.104 10 5 EGBERN COC(=O)c1cc(N2CCc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301540187 456142447 /nfs/dbraw/zinc/14/24/47/456142447.db2.gz CAZWRAJSFZJBHB-UHFFFAOYSA-N 0 0 326.352 3.253 10 5 EGBERN Cc1c(NC(=O)NOC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000297206206 456148690 /nfs/dbraw/zinc/14/86/90/456148690.db2.gz UBRBEYBMQFHDLO-UHFFFAOYSA-N 0 0 332.154 3.127 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCCOC3CCCCC3)cc2N1 ZINC000301582782 456152853 /nfs/dbraw/zinc/15/28/53/456152853.db2.gz ABXIXHCHJVKDRJ-UHFFFAOYSA-N 0 0 349.387 3.077 10 5 EGBERN C[C@@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301611812 456161960 /nfs/dbraw/zinc/16/19/60/456161960.db2.gz FCCQVOYNGFIEOY-NSHDSACASA-N 0 0 331.328 3.276 10 5 EGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1nccs1 ZINC000601121389 460718538 /nfs/dbraw/zinc/71/85/38/460718538.db2.gz NJPVQRSCDBUFCY-ZCFIWIBFSA-N 0 0 335.311 3.367 10 5 EGBERN COc1cc(N[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000301673930 456182330 /nfs/dbraw/zinc/18/23/30/456182330.db2.gz RNOIYNIVICQUHQ-LBPRGKRZSA-N 0 0 339.355 3.357 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(Cc4ccccc4)CC3)nn21 ZINC000301830119 456226641 /nfs/dbraw/zinc/22/66/41/456226641.db2.gz HGXHQPAKNFDVOO-UHFFFAOYSA-N 0 0 337.383 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000301982154 456263936 /nfs/dbraw/zinc/26/39/36/456263936.db2.gz AGATZTFJHWJVRR-MAUKXSAKSA-N 0 0 328.368 3.277 10 5 EGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301992903 456266704 /nfs/dbraw/zinc/26/67/04/456266704.db2.gz OCAMAPQDYJJJGA-NSHDSACASA-N 0 0 325.434 3.033 10 5 EGBERN COC(=O)c1cc(NC[C@@H]2Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000301996633 456266915 /nfs/dbraw/zinc/26/69/15/456266915.db2.gz UAFOBPUSASYRKR-ZDUSSCGKSA-N 0 0 326.352 3.442 10 5 EGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000297688022 456275670 /nfs/dbraw/zinc/27/56/70/456275670.db2.gz FDQPKDQWQIBUAE-UHFFFAOYSA-N 0 0 342.220 3.267 10 5 EGBERN O=C(N[C@H]1CCc2ccccc2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342886187 456294231 /nfs/dbraw/zinc/29/42/31/456294231.db2.gz GLJXEEVXCWYWTF-AWEZNQCLSA-N 0 0 335.363 3.363 10 5 EGBERN COc1cc(CN[C@@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000352778193 456298546 /nfs/dbraw/zinc/29/85/46/456298546.db2.gz JNKFMQTZKPBVMI-OAHLLOKOSA-N 0 0 346.387 3.351 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)nc1OCc1ccccc1 ZINC000302152966 456301141 /nfs/dbraw/zinc/30/11/41/456301141.db2.gz CKPBUKJULAJOJA-CQSZACIVSA-N 0 0 329.356 3.160 10 5 EGBERN CC(C)c1nn(-c2ccccc2)cc1CNc1ncc([N+](=O)[O-])cn1 ZINC000302206649 456316565 /nfs/dbraw/zinc/31/65/65/456316565.db2.gz DULYNESAVYVPNU-UHFFFAOYSA-N 0 0 338.371 3.306 10 5 EGBERN Cc1cc(C(C)C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000302229177 456322971 /nfs/dbraw/zinc/32/29/71/456322971.db2.gz AVZMBIPPUJIDPA-UHFFFAOYSA-N 0 0 341.415 3.143 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCC(F)(F)C1 ZINC000340239181 456333326 /nfs/dbraw/zinc/33/33/26/456333326.db2.gz JVERUJFIJZVVGD-NSHDSACASA-N 0 0 337.326 3.313 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000275905167 456346054 /nfs/dbraw/zinc/34/60/54/456346054.db2.gz VAPSVTXKCHGYBG-UHFFFAOYSA-N 0 0 347.758 3.299 10 5 EGBERN CCc1n[nH]c(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000302725239 456384986 /nfs/dbraw/zinc/38/49/86/456384986.db2.gz ONOJZXMUHKLJIX-UHFFFAOYSA-N 0 0 335.795 3.313 10 5 EGBERN COc1cc(NC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000302739925 456388566 /nfs/dbraw/zinc/38/85/66/456388566.db2.gz YRJZAEURGDQDQR-QGZVFWFLSA-N 0 0 338.404 3.355 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000352900248 456399526 /nfs/dbraw/zinc/39/95/26/456399526.db2.gz JNJMDIUGKLXXFS-CYBMUJFWSA-N 0 0 343.383 3.034 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000352904128 456402735 /nfs/dbraw/zinc/40/27/35/456402735.db2.gz VSRHWCSVQWMLBT-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccnc1)C1CC1 ZINC000340398193 456436059 /nfs/dbraw/zinc/43/60/59/456436059.db2.gz WXELLRAMJVWSGW-KRWDZBQOSA-N 0 0 345.786 3.453 10 5 EGBERN CSc1ccc(C(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000291004325 456493580 /nfs/dbraw/zinc/49/35/80/456493580.db2.gz CCLKJRYEXBIGEV-UHFFFAOYSA-N 0 0 332.385 3.180 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1F ZINC000348128972 456503326 /nfs/dbraw/zinc/50/33/26/456503326.db2.gz WZBKORBKERYBBX-UHFFFAOYSA-N 0 0 340.257 3.420 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348237220 456557527 /nfs/dbraw/zinc/55/75/27/456557527.db2.gz YMRFZKNHEGSDFS-AXFHLTTASA-N 0 0 345.321 3.195 10 5 EGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348237224 456557784 /nfs/dbraw/zinc/55/77/84/456557784.db2.gz YMRFZKNHEGSDFS-MXWKQRLJSA-N 0 0 345.321 3.195 10 5 EGBERN COCCc1noc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000340606778 456566625 /nfs/dbraw/zinc/56/66/25/456566625.db2.gz RPSAFRNQZSUVCS-UHFFFAOYSA-N 0 0 334.376 3.076 10 5 EGBERN CO[C@@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000337866344 456574930 /nfs/dbraw/zinc/57/49/30/456574930.db2.gz LBFZTULWMVCGRS-QMMMGPOBSA-N 0 0 332.341 3.494 10 5 EGBERN Cc1cc(-c2nnc(CN3CCc4ccc([N+](=O)[O-])cc43)o2)c(C)o1 ZINC000348262500 456579993 /nfs/dbraw/zinc/57/99/93/456579993.db2.gz ONVAMVIVHDOPLT-UHFFFAOYSA-N 0 0 340.339 3.417 10 5 EGBERN CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000282906323 456661287 /nfs/dbraw/zinc/66/12/87/456661287.db2.gz UTWBZLNRPSRXCB-CQSZACIVSA-N 0 0 335.429 3.137 10 5 EGBERN Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000340778579 456680476 /nfs/dbraw/zinc/68/04/76/456680476.db2.gz JKUZCKPBAJCIIY-LBPRGKRZSA-N 0 0 332.381 3.169 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC3CCC2CC3)s1 ZINC000340776886 456681136 /nfs/dbraw/zinc/68/11/36/456681136.db2.gz LNCOTPXMMJGRFV-UDNWOFFPSA-N 0 0 330.431 3.050 10 5 EGBERN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338194048 456697156 /nfs/dbraw/zinc/69/71/56/456697156.db2.gz YKVDVCXLSHLYDW-UHFFFAOYSA-N 0 0 336.351 3.469 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NC1CCC2(CC1)OCCO2 ZINC000291683944 456719957 /nfs/dbraw/zinc/71/99/57/456719957.db2.gz RQRSABFIFWHSHO-UHFFFAOYSA-N 0 0 329.356 3.241 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000340897952 456748243 /nfs/dbraw/zinc/74/82/43/456748243.db2.gz KMUQNFHBPMSCCN-NWDGAFQWSA-N 0 0 331.347 3.412 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348619836 456783650 /nfs/dbraw/zinc/78/36/50/456783650.db2.gz DQMPIHHNGUYDJS-SJCJKPOMSA-N 0 0 325.368 3.328 10 5 EGBERN C[C@@H](NC(=O)c1occc1Br)c1ccccc1[N+](=O)[O-] ZINC000341304253 456837874 /nfs/dbraw/zinc/83/78/74/456837874.db2.gz CLNWQRHPFZIMAA-MRVPVSSYSA-N 0 0 339.145 3.441 10 5 EGBERN CC1([C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)OCCO1 ZINC000292080940 456850317 /nfs/dbraw/zinc/85/03/17/456850317.db2.gz XYCDBCFGRZHTOG-CYBMUJFWSA-N 0 0 343.383 3.122 10 5 EGBERN O=C(Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000341739411 456922985 /nfs/dbraw/zinc/92/29/85/456922985.db2.gz VEKIUFAUZAQXJC-UHFFFAOYSA-N 0 0 332.747 3.243 10 5 EGBERN CCOCCO[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341781515 456942416 /nfs/dbraw/zinc/94/24/16/456942416.db2.gz FFXKFGQEQPWWGV-LBPRGKRZSA-N 0 0 338.404 3.272 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnn3cccnc23)cc1[N+](=O)[O-] ZINC000341783124 456942785 /nfs/dbraw/zinc/94/27/85/456942785.db2.gz LPMQNGBEZSXZQC-UHFFFAOYSA-N 0 0 339.355 3.187 10 5 EGBERN COc1c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)nn1C ZINC000341782832 456942872 /nfs/dbraw/zinc/94/28/72/456942872.db2.gz JWQYSTUFXNCSPR-UHFFFAOYSA-N 0 0 346.387 3.195 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CCO)c1ccccc1 ZINC000353889590 456952484 /nfs/dbraw/zinc/95/24/84/456952484.db2.gz AMJFVLKWLZFKJW-INIZCTEOSA-N 0 0 329.356 3.148 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1sccc1C ZINC000353923114 456966150 /nfs/dbraw/zinc/96/61/50/456966150.db2.gz QXISKQWEYRBWLO-CQSZACIVSA-N 0 0 349.412 3.382 10 5 EGBERN O=C(Nc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000353938676 456973204 /nfs/dbraw/zinc/97/32/04/456973204.db2.gz IQZVNKBFRPWZBS-UHFFFAOYSA-N 0 0 326.337 3.366 10 5 EGBERN Cc1cc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c(C)o1 ZINC000341923816 457004659 /nfs/dbraw/zinc/00/46/59/457004659.db2.gz DEUWRCFNXWIJAX-SECBINFHSA-N 0 0 328.328 3.048 10 5 EGBERN CCOc1cc(N[C@@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000356509223 457029032 /nfs/dbraw/zinc/02/90/32/457029032.db2.gz UCTJKFGGDQSMRB-LBPRGKRZSA-N 0 0 345.403 3.485 10 5 EGBERN CCc1cc(NC(=O)[C@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362738551 457070859 /nfs/dbraw/zinc/07/08/59/457070859.db2.gz WARINCGWYWIQNB-MRXNPFEDSA-N 0 0 343.383 3.023 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CSCc3ccccn3)n2)c1 ZINC000349863179 457084331 /nfs/dbraw/zinc/08/43/31/457084331.db2.gz YQBXWLZSUXCATJ-UHFFFAOYSA-N 0 0 328.353 3.473 10 5 EGBERN COCCN(Cc1scnc1C)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000362850153 457124275 /nfs/dbraw/zinc/12/42/75/457124275.db2.gz JWCSYQLBKIMDQF-UHFFFAOYSA-N 0 0 337.401 3.021 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3cc([N+](=O)[O-])cnc3C)c[nH]c2c1 ZINC000346715102 457128490 /nfs/dbraw/zinc/12/84/90/457128490.db2.gz RYAIAHSPKVXTQZ-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356758695 457153454 /nfs/dbraw/zinc/15/34/54/457153454.db2.gz QTMOVGBELLVKRN-KCJUWKMLSA-N 0 0 332.278 3.064 10 5 EGBERN COc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000359969589 457177170 /nfs/dbraw/zinc/17/71/70/457177170.db2.gz HWWWMTXVCMFMQF-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1nccs1)C(F)(F)F ZINC000356934315 457229851 /nfs/dbraw/zinc/22/98/51/457229851.db2.gz YPDPXXQJMPNWFF-NSHDSACASA-N 0 0 345.302 3.014 10 5 EGBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000347112244 457235816 /nfs/dbraw/zinc/23/58/16/457235816.db2.gz QZEYLYXIFOMPSI-DJJJIMSYSA-N 0 0 339.395 3.447 10 5 EGBERN COc1cc(-c2nc(-c3cc(C)cc(C)n3)no2)ccc1[N+](=O)[O-] ZINC000356959422 457243503 /nfs/dbraw/zinc/24/35/03/457243503.db2.gz IJWWVHFHVGOILO-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CC(C)c1nn(-c2ccccc2)cc1CNc1c([N+](=O)[O-])ncn1C ZINC000347136852 457250674 /nfs/dbraw/zinc/25/06/74/457250674.db2.gz PAGYVWRYZMOHEU-UHFFFAOYSA-N 0 0 340.387 3.250 10 5 EGBERN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1nnc2n1CCCCC2 ZINC000360111582 457260529 /nfs/dbraw/zinc/26/05/29/457260529.db2.gz DAMPWHXSHYLDRA-NSHDSACASA-N 0 0 349.822 3.417 10 5 EGBERN Nc1c(F)c(N2CCn3c(cc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000360112232 457261791 /nfs/dbraw/zinc/26/17/91/457261791.db2.gz WVHKLAJNMPEEJZ-UHFFFAOYSA-N 0 0 326.331 3.291 10 5 EGBERN Cc1ccnc2ccc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cc12 ZINC000354523949 457268976 /nfs/dbraw/zinc/26/89/76/457268976.db2.gz DLXBYXIRHKKDHV-UHFFFAOYSA-N 0 0 348.362 3.045 10 5 EGBERN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn[nH]c1 ZINC000339791280 457271022 /nfs/dbraw/zinc/27/10/22/457271022.db2.gz FOGUFCONKMFMHJ-JTQLQIEISA-N 0 0 329.385 3.292 10 5 EGBERN CCc1ccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000360142298 457273159 /nfs/dbraw/zinc/27/31/59/457273159.db2.gz XBZHWWYMDYFIML-UHFFFAOYSA-N 0 0 340.426 3.006 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)cc3OC)no2)n1 ZINC000347177746 457273922 /nfs/dbraw/zinc/27/39/22/457273922.db2.gz ROBBTJZDJGPOPH-UHFFFAOYSA-N 0 0 349.734 3.190 10 5 EGBERN C[C@@H]1CCCc2ncc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)n21 ZINC000351405623 457280159 /nfs/dbraw/zinc/28/01/59/457280159.db2.gz MZQGLBSQDTXDER-SNVBAGLBSA-N 0 0 325.328 3.406 10 5 EGBERN C[C@H]1CCCc2ncc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)n21 ZINC000351412874 457282330 /nfs/dbraw/zinc/28/23/30/457282330.db2.gz NOOCKODJYVADAS-NSHDSACASA-N 0 0 339.355 3.329 10 5 EGBERN CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000355729558 457407950 /nfs/dbraw/zinc/40/79/50/457407950.db2.gz DVJXCSXVNWNLEP-OAHLLOKOSA-N 0 0 343.383 3.184 10 5 EGBERN Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000342647864 457427532 /nfs/dbraw/zinc/42/75/32/457427532.db2.gz GZBCAWQWFNSQOV-ZDUSSCGKSA-N 0 0 342.399 3.064 10 5 EGBERN CO[C@H](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000347515695 457479783 /nfs/dbraw/zinc/47/97/83/457479783.db2.gz GLWREPNITPCQSY-LLVKDONJSA-N 0 0 348.321 3.217 10 5 EGBERN Cc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000425300274 457486789 /nfs/dbraw/zinc/48/67/89/457486789.db2.gz DSNWPXDCLAQJCN-UHFFFAOYSA-N 0 0 343.261 3.148 10 5 EGBERN CC(C)(C(=O)NCc1ccc2cc[nH]c2n1)c1ccccc1[N+](=O)[O-] ZINC000357402184 457497463 /nfs/dbraw/zinc/49/74/63/457497463.db2.gz MCNJIKSJCHWNFT-UHFFFAOYSA-N 0 0 338.367 3.065 10 5 EGBERN Cc1[nH]c2ccc(-c3noc(-c4nn(C)cc4[N+](=O)[O-])n3)cc2c1C ZINC000356205809 457531216 /nfs/dbraw/zinc/53/12/16/457531216.db2.gz AYSPZGRPYQCYSW-UHFFFAOYSA-N 0 0 338.327 3.143 10 5 EGBERN CO[C@H](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000347590997 457532176 /nfs/dbraw/zinc/53/21/76/457532176.db2.gz PFLLDACJAYOYQH-LLVKDONJSA-N 0 0 349.309 3.301 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361041937 457536300 /nfs/dbraw/zinc/53/63/00/457536300.db2.gz HJMJUXYUJQNSRI-HUUCEWRRSA-N 0 0 330.388 3.309 10 5 EGBERN CNc1c(C(=O)N2CCc3ccccc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000404735022 457547406 /nfs/dbraw/zinc/54/74/06/457547406.db2.gz LETSYWPRJUPCSE-ZDUSSCGKSA-N 0 0 339.395 3.439 10 5 EGBERN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1[nH]ncc1[N+](=O)[O-] ZINC000408513725 457572725 /nfs/dbraw/zinc/57/27/25/457572725.db2.gz NRQWVDGKZZXQSL-UHFFFAOYSA-N 0 0 346.730 3.161 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1nc[nH]n1 ZINC000408522732 457578634 /nfs/dbraw/zinc/57/86/34/457578634.db2.gz CRKCYBCOWNEMHM-JTQLQIEISA-N 0 0 327.266 3.073 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000364401119 457592703 /nfs/dbraw/zinc/59/27/03/457592703.db2.gz JZCZGKAVBBALIQ-UHFFFAOYSA-N 0 0 348.362 3.401 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000364408953 457595425 /nfs/dbraw/zinc/59/54/25/457595425.db2.gz XRHFWIVMHRXOLX-UHFFFAOYSA-N 0 0 341.342 3.449 10 5 EGBERN Cc1ccc2c(c1)SCCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364441683 457606311 /nfs/dbraw/zinc/60/63/11/457606311.db2.gz FPBUXUIDKIESMZ-UHFFFAOYSA-N 0 0 329.381 3.441 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000357643317 457637734 /nfs/dbraw/zinc/63/77/34/457637734.db2.gz BWJTWHCBCSBRMA-WMZOPIPTSA-N 0 0 349.390 3.469 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374501063 457642653 /nfs/dbraw/zinc/64/26/53/457642653.db2.gz DJDWSQZANHXRNF-SFHVURJKSA-N 0 0 328.343 3.235 10 5 EGBERN COc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000410475225 457643816 /nfs/dbraw/zinc/64/38/16/457643816.db2.gz ZEBHULAQKWACLG-QGHHPUGFSA-N 0 0 344.342 3.406 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540270 457652487 /nfs/dbraw/zinc/65/24/87/457652487.db2.gz WSFDTBYVMNPLCR-QZTJIDSGSA-N 0 0 330.359 3.199 10 5 EGBERN O=C(NC1Cc2ccccc2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000357872478 457719961 /nfs/dbraw/zinc/71/99/61/457719961.db2.gz SYHRIMMVIMQJFK-UHFFFAOYSA-N 0 0 348.305 3.093 10 5 EGBERN CCc1ccc([C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000357904325 457729128 /nfs/dbraw/zinc/72/91/28/457729128.db2.gz CFDTXJOFFSKQIQ-OAHLLOKOSA-N 0 0 330.388 3.018 10 5 EGBERN CCc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000374973450 457743450 /nfs/dbraw/zinc/74/34/50/457743450.db2.gz QIOQDLKFQVGIAS-ZDUSSCGKSA-N 0 0 332.400 3.188 10 5 EGBERN CCCCc1cnc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)nc1 ZINC000411069418 457790990 /nfs/dbraw/zinc/79/09/90/457790990.db2.gz JFJFSORCOCWFOW-UHFFFAOYSA-N 0 0 344.371 3.378 10 5 EGBERN CCO[C@H](C)c1ncc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000443822484 457813488 /nfs/dbraw/zinc/81/34/88/457813488.db2.gz GJWFPVUQMLYGEF-SNVBAGLBSA-N 0 0 335.385 3.425 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1F ZINC000375177305 457821864 /nfs/dbraw/zinc/82/18/64/457821864.db2.gz YRZRGUXQDVKRPV-GFCCVEGCSA-N 0 0 336.363 3.074 10 5 EGBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000371324416 457866638 /nfs/dbraw/zinc/86/66/38/457866638.db2.gz XAJSNORYVVERBN-UHFFFAOYSA-N 0 0 338.363 3.038 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000426650458 457871175 /nfs/dbraw/zinc/87/11/75/457871175.db2.gz CSKKSYRHVWEJJJ-INIZCTEOSA-N 0 0 328.368 3.251 10 5 EGBERN COCc1cc(O)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000458061403 457918594 /nfs/dbraw/zinc/91/85/94/457918594.db2.gz MEYDBEJRPPKUEB-UHFFFAOYSA-N 0 0 344.367 3.363 10 5 EGBERN O=C(c1ccoc1C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000361890876 457935220 /nfs/dbraw/zinc/93/52/20/457935220.db2.gz VPEZNBLCVXDSAM-UHFFFAOYSA-N 0 0 326.230 3.410 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000375450735 457936649 /nfs/dbraw/zinc/93/66/49/457936649.db2.gz CTCDPDCLOVBXLE-HNNXBMFYSA-N 0 0 344.415 3.488 10 5 EGBERN COc1c(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000458237560 457983017 /nfs/dbraw/zinc/98/30/17/457983017.db2.gz FNJMAYTUWMFSGL-GFCCVEGCSA-N 0 0 346.358 3.446 10 5 EGBERN O=C(NCCc1ccccn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444826524 457984477 /nfs/dbraw/zinc/98/44/77/457984477.db2.gz NLHYIJMXOWARBH-UHFFFAOYSA-N 0 0 343.386 3.049 10 5 EGBERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000358408829 457984653 /nfs/dbraw/zinc/98/46/53/457984653.db2.gz IAOYOYRIMNDXEZ-ZBEGNZNMSA-N 0 0 339.351 3.442 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367978200 458002224 /nfs/dbraw/zinc/00/22/24/458002224.db2.gz OMZQINQQSZNWLA-QZTJIDSGSA-N 0 0 340.379 3.174 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000427593017 458006015 /nfs/dbraw/zinc/00/60/15/458006015.db2.gz IAVMOTLXWOOXLS-HUUCEWRRSA-N 0 0 342.399 3.267 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000362030597 458015060 /nfs/dbraw/zinc/01/50/60/458015060.db2.gz XBRRJZCSSVVZFQ-JOYOIKCWSA-N 0 0 346.305 3.406 10 5 EGBERN COc1cccc(F)c1[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428002573 458065468 /nfs/dbraw/zinc/06/54/68/458065468.db2.gz YFVDGYSLGBYJNH-SECBINFHSA-N 0 0 330.319 3.214 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCc1ccccn1 ZINC000434942387 458068925 /nfs/dbraw/zinc/06/89/25/458068925.db2.gz IQESBJLYKXDIJU-UHFFFAOYSA-N 0 0 347.346 3.350 10 5 EGBERN O=C(Nc1nc2cc(F)ccc2[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428031696 458069878 /nfs/dbraw/zinc/06/98/78/458069878.db2.gz HOCZBUHNKSUTEK-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN CC(C)(C)c1ccc(-c2nc(Cc3cnccn3)no2)cc1[N+](=O)[O-] ZINC000445689233 458077932 /nfs/dbraw/zinc/07/79/32/458077932.db2.gz IDXVCEGXCDXVGI-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN CCn1c(-c2ccoc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000358603165 458103178 /nfs/dbraw/zinc/10/31/78/458103178.db2.gz QIHJCUAGRDDDKF-UHFFFAOYSA-N 0 0 341.371 3.145 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(OC)c(Cl)c1 ZINC000362345910 458118136 /nfs/dbraw/zinc/11/81/36/458118136.db2.gz QTBRJRLVJTVBJH-UHFFFAOYSA-N 0 0 335.747 3.467 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)n1 ZINC000358636849 458121262 /nfs/dbraw/zinc/12/12/62/458121262.db2.gz JCCPOCVXEJDZFV-LLVKDONJSA-N 0 0 334.401 3.229 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412211751 458129133 /nfs/dbraw/zinc/12/91/33/458129133.db2.gz BPXNTMIFEUVZKL-SJLPKXTDSA-N 0 0 328.343 3.138 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3C[C@H](c4ccccc4F)C3)[nH]c2c1 ZINC000435588107 458168044 /nfs/dbraw/zinc/16/80/44/458168044.db2.gz KPPHVMOKVJLMSY-XYPYZODXSA-N 0 0 326.331 3.390 10 5 EGBERN COCC1(C)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446302420 458173423 /nfs/dbraw/zinc/17/34/23/458173423.db2.gz NVNMMTPSVISXLJ-UHFFFAOYSA-N 0 0 340.807 3.445 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000446339985 458179564 /nfs/dbraw/zinc/17/95/64/458179564.db2.gz HLGUCSHQGRLZTR-AWEZNQCLSA-N 0 0 342.399 3.113 10 5 EGBERN C[C@H](NC(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000446508831 458194127 /nfs/dbraw/zinc/19/41/27/458194127.db2.gz ZMFMHYVFBYBAPC-SCLBCKFNSA-N 0 0 349.431 3.286 10 5 EGBERN COc1cc(C(=O)N(C)Cc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000362592796 458288774 /nfs/dbraw/zinc/28/87/74/458288774.db2.gz OCNSHJQTGKRHFM-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000429220286 458292166 /nfs/dbraw/zinc/29/21/66/458292166.db2.gz NGSMZPUFPBFIIV-CYBMUJFWSA-N 0 0 335.385 3.128 10 5 EGBERN COc1ccc(CNc2cn(C)nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000376504948 458321478 /nfs/dbraw/zinc/32/14/78/458321478.db2.gz JIACZJZOPDUFIW-UHFFFAOYSA-N 0 0 339.355 3.011 10 5 EGBERN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CCO)c1ccccc1 ZINC000447687573 458330221 /nfs/dbraw/zinc/33/02/21/458330221.db2.gz VCDOJXSBURVIAD-MRXNPFEDSA-N 0 0 326.356 3.031 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(Cl)cc1F ZINC000447730282 458334667 /nfs/dbraw/zinc/33/46/67/458334667.db2.gz QYGMRWIABJUADQ-UHFFFAOYSA-N 0 0 340.713 3.385 10 5 EGBERN COc1ccc(-c2nnc(CSc3ccc([N+](=O)[O-])cn3)o2)cc1 ZINC000448041241 458383849 /nfs/dbraw/zinc/38/38/49/458383849.db2.gz AWFMUQIBLRSAFV-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN Cn1c(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000437289175 458441601 /nfs/dbraw/zinc/44/16/01/458441601.db2.gz KQNAXKUQKUTFGW-JKSUJKDBSA-N 0 0 335.363 3.372 10 5 EGBERN CC[C@](C)(CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)OC ZINC000452746300 458508214 /nfs/dbraw/zinc/50/82/14/458508214.db2.gz YOUMUZAZIDDUQU-HXUWFJFHSA-N 0 0 338.407 3.226 10 5 EGBERN O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000431151156 458536449 /nfs/dbraw/zinc/53/64/49/458536449.db2.gz QQQHEJJSBMHBAX-CMPLNLGQSA-N 0 0 344.289 3.064 10 5 EGBERN O=[N+]([O-])c1ccc(Oc2ncnc3c2ncn3C2CC2)c2cccnc21 ZINC000431420052 458570751 /nfs/dbraw/zinc/57/07/51/458570751.db2.gz RUHAHPSIELZKRI-UHFFFAOYSA-N 0 0 348.322 3.410 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438384830 458572640 /nfs/dbraw/zinc/57/26/40/458572640.db2.gz XXVNGGGPPDVGAT-KNCOVGOOSA-N 0 0 334.416 3.188 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC000378054345 458613008 /nfs/dbraw/zinc/61/30/08/458613008.db2.gz XEQFMYRUEFRLPH-UHFFFAOYSA-N 0 0 332.400 3.372 10 5 EGBERN CN(c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000439093369 458652485 /nfs/dbraw/zinc/65/24/85/458652485.db2.gz DOXWJADQTVFPIL-INIZCTEOSA-N 0 0 336.351 3.367 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955503 458668824 /nfs/dbraw/zinc/66/88/24/458668824.db2.gz LWMQWSWZOXYRKE-GHMZBOCLSA-N 0 0 345.321 3.114 10 5 EGBERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000503083317 458691409 /nfs/dbraw/zinc/69/14/09/458691409.db2.gz NRISUQFYEBOQDW-BBWFWOEESA-N 0 0 330.384 3.295 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCc3c2c(F)ccc3F)c1[N+](=O)[O-] ZINC000432166275 458694232 /nfs/dbraw/zinc/69/42/32/458694232.db2.gz KKIKQLMOLWZEEE-UHFFFAOYSA-N 0 0 349.293 3.057 10 5 EGBERN O=C1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCN1c1ccccc1 ZINC000432325476 458715334 /nfs/dbraw/zinc/71/53/34/458715334.db2.gz KYADPIIKLNBFBY-MRXNPFEDSA-N 0 0 348.362 3.360 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000547287015 458715656 /nfs/dbraw/zinc/71/56/56/458715656.db2.gz WBFXHVUOZOXNTP-AWEZNQCLSA-N 0 0 331.372 3.304 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463887486 458722395 /nfs/dbraw/zinc/72/23/95/458722395.db2.gz OGDYBYAOSSSRSP-HUUCEWRRSA-N 0 0 333.432 3.362 10 5 EGBERN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000439604625 458729712 /nfs/dbraw/zinc/72/97/12/458729712.db2.gz RVIFKNRTSKYHAL-VGTOOOLASA-N 0 0 341.367 3.059 10 5 EGBERN CCOC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000494778224 458744686 /nfs/dbraw/zinc/74/46/86/458744686.db2.gz OVJGFYNXUHPMDJ-NSHDSACASA-N 0 0 326.418 3.250 10 5 EGBERN C/C=C/C[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OCC ZINC000439717413 458745125 /nfs/dbraw/zinc/74/51/25/458745125.db2.gz FJYVOGNWAJODFQ-ZKKXHLJNSA-N 0 0 348.399 3.346 10 5 EGBERN Cc1cc(C(=O)NCC(=O)C2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000424875760 458754558 /nfs/dbraw/zinc/75/45/58/458754558.db2.gz DYAUKOCMYSKKKB-UHFFFAOYSA-N 0 0 340.326 3.028 10 5 EGBERN CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000494841252 458755450 /nfs/dbraw/zinc/75/54/50/458755450.db2.gz ACCXOIHIISXLOF-UHFFFAOYSA-N 0 0 349.431 3.029 10 5 EGBERN C/C(=C\c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000494854208 458757279 /nfs/dbraw/zinc/75/72/79/458757279.db2.gz SFAPATSUHHNJBY-UKTHLTGXSA-N 0 0 325.368 3.474 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccsc1 ZINC000439886939 458761607 /nfs/dbraw/zinc/76/16/07/458761607.db2.gz FJGXOXHGYMIVND-UHFFFAOYSA-N 0 0 335.385 3.419 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439919945 458766148 /nfs/dbraw/zinc/76/61/48/458766148.db2.gz LORLBGANCLJMAT-RYUDHWBXSA-N 0 0 338.791 3.137 10 5 EGBERN Cc1nc([C@@](C)(NC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000432734929 458777461 /nfs/dbraw/zinc/77/74/61/458777461.db2.gz ZHBSPUDANMNNCM-INIZCTEOSA-N 0 0 345.359 3.042 10 5 EGBERN COC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000457041254 458845302 /nfs/dbraw/zinc/84/53/02/458845302.db2.gz PAMLFSNTTLDFEA-LLVKDONJSA-N 0 0 326.780 3.137 10 5 EGBERN Cc1ccc(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1C ZINC000531244624 458892498 /nfs/dbraw/zinc/89/24/98/458892498.db2.gz HTCWOFFKTUDHHK-UHFFFAOYSA-N 0 0 335.363 3.363 10 5 EGBERN CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466903615 458931111 /nfs/dbraw/zinc/93/11/11/458931111.db2.gz XRUFGIQIVCWCNU-MWLCHTKSSA-N 0 0 346.836 3.366 10 5 EGBERN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000566478276 458945817 /nfs/dbraw/zinc/94/58/17/458945817.db2.gz NHJGGMHYEGNHLY-KBPBESRZSA-N 0 0 349.431 3.125 10 5 EGBERN Cc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946525 458952831 /nfs/dbraw/zinc/95/28/31/458952831.db2.gz PSXSVDOMVAXQIH-YRGRVCCFSA-N 0 0 349.431 3.380 10 5 EGBERN Cc1nc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000531859425 458990400 /nfs/dbraw/zinc/99/04/00/458990400.db2.gz PBMMXFOMKMBELN-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN CC[C@H](C)CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520387309 459054659 /nfs/dbraw/zinc/05/46/59/459054659.db2.gz IUSZDYWYRFKLAB-VIFPVBQESA-N 0 0 334.825 3.223 10 5 EGBERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442951289 459064394 /nfs/dbraw/zinc/06/43/94/459064394.db2.gz AZRHOAUTGBBJMY-UHFFFAOYSA-N 0 0 338.360 3.338 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H]4C[C@H]43)o2)c(Cl)c1 ZINC000590053139 459073867 /nfs/dbraw/zinc/07/38/67/459073867.db2.gz MOKJWHYZCPMTJL-ZBFHGGJFSA-N 0 0 334.759 3.481 10 5 EGBERN O=[N+]([O-])c1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594520362 459077616 /nfs/dbraw/zinc/07/76/16/459077616.db2.gz NOSFQQGZLSRCRI-AAEUAGOBSA-N 0 0 336.285 3.324 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCCCO1 ZINC000567276590 459078249 /nfs/dbraw/zinc/07/82/49/459078249.db2.gz ONPXYIVAMLQHBA-UHFFFAOYSA-N 0 0 344.165 3.307 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000557600038 459090139 /nfs/dbraw/zinc/09/01/39/459090139.db2.gz RGRSWMKVYDWSLF-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC2(CC1)C(F)(F)C2(F)F ZINC000594586045 459097600 /nfs/dbraw/zinc/09/76/00/459097600.db2.gz KFRKIZKCZJTZFO-UHFFFAOYSA-N 0 0 334.269 3.474 10 5 EGBERN Cc1cnc(N2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000557685481 459099143 /nfs/dbraw/zinc/09/91/43/459099143.db2.gz FGVDUPRBWKRFQZ-UHFFFAOYSA-N 0 0 348.353 3.293 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](OC3CCC3)C1)CCCC2 ZINC000594595359 459102424 /nfs/dbraw/zinc/10/24/24/459102424.db2.gz WESOSAYBWZAPSK-OAHLLOKOSA-N 0 0 331.416 3.407 10 5 EGBERN CCc1nn(C)c(N[C@H](Cc2ccccc2)c2ncco2)c1[N+](=O)[O-] ZINC000594599055 459104831 /nfs/dbraw/zinc/10/48/31/459104831.db2.gz LTLKQRSYAGZIRH-CQSZACIVSA-N 0 0 341.371 3.275 10 5 EGBERN CCNC(=O)c1cccc(C)c1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000578101588 459145102 /nfs/dbraw/zinc/14/51/02/459145102.db2.gz OSPAPMAFQSQPTD-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768784 459153195 /nfs/dbraw/zinc/15/31/95/459153195.db2.gz BXYGMCWIOFLOJQ-UHFFFAOYSA-N 0 0 349.412 3.096 10 5 EGBERN C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC000567866476 459180813 /nfs/dbraw/zinc/18/08/13/459180813.db2.gz XKPFRYAGJBMEDH-DOMZBBRYSA-N 0 0 344.367 3.397 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1nccn1CC(C)C ZINC000595029372 459221821 /nfs/dbraw/zinc/22/18/21/459221821.db2.gz XNZCBMUSLQXNCM-CYBMUJFWSA-N 0 0 332.404 3.307 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000578605659 459228323 /nfs/dbraw/zinc/22/83/23/459228323.db2.gz AFDGTAAHTAPFTM-MWLCHTKSSA-N 0 0 345.321 3.440 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nn1[C@@H](C)C1CC1 ZINC000481122533 459234614 /nfs/dbraw/zinc/23/46/14/459234614.db2.gz FTAJQSJOCXEOEL-LBPRGKRZSA-N 0 0 343.387 3.445 10 5 EGBERN Cn1ccnc1[C@@H](NC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078493 459239476 /nfs/dbraw/zinc/23/94/76/459239476.db2.gz CQLKLNXVTBSSAY-ZFWWWQNUSA-N 0 0 336.342 3.053 10 5 EGBERN O=C(NC1CCC(OC(F)F)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000590884151 459258427 /nfs/dbraw/zinc/25/84/27/459258427.db2.gz VGGYRSPPKWSPIA-UHFFFAOYSA-N 0 0 332.278 3.014 10 5 EGBERN COC(=O)[C@H](Cc1ccc(C)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481571176 459262350 /nfs/dbraw/zinc/26/23/50/459262350.db2.gz FFXGFUJMSGEQLP-KSSFIOAISA-N 0 0 342.395 3.338 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481755810 459272173 /nfs/dbraw/zinc/27/21/73/459272173.db2.gz POYKFHJLUJSHKP-MQMHXKEQSA-N 0 0 329.331 3.113 10 5 EGBERN CCc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)on1 ZINC000581765180 459277149 /nfs/dbraw/zinc/27/71/49/459277149.db2.gz CNMAIRVBJJCVSR-UHFFFAOYSA-N 0 0 347.374 3.162 10 5 EGBERN Cc1noc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386371 459288290 /nfs/dbraw/zinc/28/82/90/459288290.db2.gz DOBUVEULSXGJQB-CQSZACIVSA-N 0 0 347.346 3.268 10 5 EGBERN CC(C)Oc1cc(C(=O)N[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000591081323 459307848 /nfs/dbraw/zinc/30/78/48/459307848.db2.gz JMDWIHCOZSMODF-ZDUSSCGKSA-N 0 0 328.315 3.300 10 5 EGBERN C[C@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595478565 459318117 /nfs/dbraw/zinc/31/81/17/459318117.db2.gz AKOVIILBWYVLHN-IINYFYTJSA-N 0 0 327.331 3.390 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595481541 459318720 /nfs/dbraw/zinc/31/87/20/459318720.db2.gz PNLGEXPRVBFKAO-JOYOIKCWSA-N 0 0 327.331 3.246 10 5 EGBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000568640591 459322364 /nfs/dbraw/zinc/32/23/64/459322364.db2.gz ZHRPZZUQBTXPLG-BXKDBHETSA-N 0 0 328.796 3.084 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000523696759 459323844 /nfs/dbraw/zinc/32/38/44/459323844.db2.gz SDYPGVKACYSJQS-SFHVURJKSA-N 0 0 344.367 3.286 10 5 EGBERN Cc1noc(CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595513621 459330543 /nfs/dbraw/zinc/33/05/43/459330543.db2.gz XULIUSHCQZNHGV-LSDHHAIUSA-N 0 0 331.372 3.227 10 5 EGBERN Cc1ccncc1CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595544177 459341368 /nfs/dbraw/zinc/34/13/68/459341368.db2.gz MZEYUFMCXUCQPO-CQSZACIVSA-N 0 0 342.399 3.210 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000591319870 459354190 /nfs/dbraw/zinc/35/41/90/459354190.db2.gz JDKVHYHXIVXTNG-QDZRJHCZSA-N 0 0 346.412 3.478 10 5 EGBERN Cc1c(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595587693 459357208 /nfs/dbraw/zinc/35/72/08/459357208.db2.gz JVESRTGOYUSGBN-SUMWQHHRSA-N 0 0 339.395 3.431 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cscn1 ZINC000595666794 459389058 /nfs/dbraw/zinc/38/90/58/459389058.db2.gz CQTQPNUSSYEZBE-NSHDSACASA-N 0 0 334.401 3.039 10 5 EGBERN COC(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000595741778 459421536 /nfs/dbraw/zinc/42/15/36/459421536.db2.gz ZFAVZDMXTKVXQA-MCIONIFRSA-N 0 0 338.429 3.210 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@]1(C)CC1(F)F ZINC000595778760 459436200 /nfs/dbraw/zinc/43/62/00/459436200.db2.gz UWKYGUZTQWNVTE-OAHLLOKOSA-N 0 0 341.358 3.214 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000595885453 459473562 /nfs/dbraw/zinc/47/35/62/459473562.db2.gz HRQXLAAISUJJHA-NSHDSACASA-N 0 0 338.713 3.401 10 5 EGBERN Cc1c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891951 459477778 /nfs/dbraw/zinc/47/77/78/459477778.db2.gz RNWNQRDXVDMWFJ-ZWNOBZJWSA-N 0 0 332.322 3.445 10 5 EGBERN COC(=O)C1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591909162 459480105 /nfs/dbraw/zinc/48/01/05/459480105.db2.gz GYHSNMQUIGGYRJ-UHFFFAOYSA-N 0 0 333.388 3.012 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@](C)(C(F)F)C1 ZINC000595914755 459485167 /nfs/dbraw/zinc/48/51/67/459485167.db2.gz FWYWOJHUDMJKNE-MRXNPFEDSA-N 0 0 344.358 3.238 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595921626 459488009 /nfs/dbraw/zinc/48/80/09/459488009.db2.gz XNSBPMAPLOOXJY-ZBEGNZNMSA-N 0 0 344.358 3.238 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000591958284 459496721 /nfs/dbraw/zinc/49/67/21/459496721.db2.gz RPCNAQRYXWLMID-WCQYABFASA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000541935895 459512703 /nfs/dbraw/zinc/51/27/03/459512703.db2.gz JGVVLHMUSOZXEI-XJKSGUPXSA-N 0 0 327.384 3.435 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592024209 459513064 /nfs/dbraw/zinc/51/30/64/459513064.db2.gz FPGNRRMCHYRLKO-MRVWCRGKSA-N 0 0 342.399 3.106 10 5 EGBERN Cc1cc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596099032 459519969 /nfs/dbraw/zinc/51/99/69/459519969.db2.gz XGICCNQVRFEWNS-LBPRGKRZSA-N 0 0 339.461 3.342 10 5 EGBERN CCN(CC)c1ccc(CNc2c(OC)cccc2[N+](=O)[O-])cn1 ZINC000583450969 459541624 /nfs/dbraw/zinc/54/16/24/459541624.db2.gz GHZBIFYYHJGLMW-UHFFFAOYSA-N 0 0 330.388 3.457 10 5 EGBERN CCC1(CO)CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596178134 459549297 /nfs/dbraw/zinc/54/92/97/459549297.db2.gz PETUDRZBRMKTQL-UHFFFAOYSA-N 0 0 328.796 3.246 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000596187592 459554330 /nfs/dbraw/zinc/55/43/30/459554330.db2.gz QRNGEYRQYDOMBQ-DTWKUNHWSA-N 0 0 330.743 3.219 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@H]1CCCC[C@H]1C ZINC000497790079 459556725 /nfs/dbraw/zinc/55/67/25/459556725.db2.gz JETJHNQLRTXAIO-IGCXYCKISA-N 0 0 332.400 3.468 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596216000 459562204 /nfs/dbraw/zinc/56/22/04/459562204.db2.gz INIZXEYTZJDBBB-ZIBATOQPSA-N 0 0 326.418 3.128 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596233598 459569366 /nfs/dbraw/zinc/56/93/66/459569366.db2.gz YBPXGACSYKWRJE-IONNQARKSA-N 0 0 330.793 3.198 10 5 EGBERN CC(C)(C)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545682 459569821 /nfs/dbraw/zinc/56/98/21/459569821.db2.gz TZWPEXPCQSDRBX-HIFRSBDPSA-N 0 0 326.824 3.477 10 5 EGBERN CC(C)(C)c1csc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)n1 ZINC000592360472 459580051 /nfs/dbraw/zinc/58/00/51/459580051.db2.gz LHQJTSUYORQOSN-UHFFFAOYSA-N 0 0 347.440 3.438 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)CO1 ZINC000596290577 459586407 /nfs/dbraw/zinc/58/64/07/459586407.db2.gz RUTZSXFCNVBPPW-UWVGGRQHSA-N 0 0 342.779 3.039 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4ccccn4)C3)c21 ZINC000596307377 459590807 /nfs/dbraw/zinc/59/08/07/459590807.db2.gz VMRMSDKKXBOODN-ZDUSSCGKSA-N 0 0 335.367 3.317 10 5 EGBERN O=c1[nH]c(N2CCC(c3ccco3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000596334111 459599244 /nfs/dbraw/zinc/59/92/44/459599244.db2.gz NMSPTJRRLCQQSN-UHFFFAOYSA-N 0 0 340.339 3.221 10 5 EGBERN CC[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922385 459611686 /nfs/dbraw/zinc/61/16/86/459611686.db2.gz CIKFPRBIZILWRZ-OLZOCXBDSA-N 0 0 327.375 3.317 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1cnc2c(cccc2OC)c1 ZINC000596438240 459635330 /nfs/dbraw/zinc/63/53/30/459635330.db2.gz QRMJAXZQEPQKDL-UHFFFAOYSA-N 0 0 328.328 3.469 10 5 EGBERN C[C@@]12COC[C@]1(C)CN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000596440682 459636647 /nfs/dbraw/zinc/63/66/47/459636647.db2.gz FIYAAELZZKKJNX-OKILXGFUSA-N 0 0 341.205 3.220 10 5 EGBERN Cc1cc(N2CC3(CCOCC3)[C@@H]2c2ccco2)ncc1[N+](=O)[O-] ZINC000596445742 459639099 /nfs/dbraw/zinc/63/90/99/459639099.db2.gz HWFGZJVUPOMFAJ-INIZCTEOSA-N 0 0 329.356 3.249 10 5 EGBERN O=[N+]([O-])c1ccc(NCCO[C@@H]2CC2(F)F)c(Br)c1 ZINC000596446927 459639905 /nfs/dbraw/zinc/63/99/05/459639905.db2.gz HUWYXGXHYCEFOU-SNVBAGLBSA-N 0 0 337.120 3.193 10 5 EGBERN CC[C@H](NC(=O)NC1(COC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596456917 459642402 /nfs/dbraw/zinc/64/24/02/459642402.db2.gz ULPVOUUHXXYFGJ-HNNXBMFYSA-N 0 0 335.404 3.304 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@](O)(C2CC2)C1 ZINC000596468718 459646614 /nfs/dbraw/zinc/64/66/14/459646614.db2.gz MXOCVFQKGQRAPT-OAHLLOKOSA-N 0 0 339.779 3.017 10 5 EGBERN COc1ccc2c(c1)CCN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000596484830 459653280 /nfs/dbraw/zinc/65/32/80/459653280.db2.gz SRGVPDVMLLEPCH-UHFFFAOYSA-N 0 0 332.331 3.314 10 5 EGBERN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000596488328 459654079 /nfs/dbraw/zinc/65/40/79/459654079.db2.gz NYOVDOCKIQBCIJ-FZMZJTMJSA-N 0 0 335.795 3.200 10 5 EGBERN COC(=O)C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000596492980 459656362 /nfs/dbraw/zinc/65/63/62/459656362.db2.gz XJTXLMUXKNDPEK-LBPRGKRZSA-N 0 0 329.356 3.144 10 5 EGBERN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC(F)F ZINC000592673492 459662143 /nfs/dbraw/zinc/66/21/43/459662143.db2.gz VZCKJZHPFHUXQZ-ZETCQYMHSA-N 0 0 338.257 3.217 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000596515519 459662703 /nfs/dbraw/zinc/66/27/03/459662703.db2.gz ZDAKZICVDKFZOE-JOYOIKCWSA-N 0 0 347.293 3.168 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596514479 459662716 /nfs/dbraw/zinc/66/27/16/459662716.db2.gz IDIBQZIZZPIBKB-GFCCVEGCSA-N 0 0 328.372 3.076 10 5 EGBERN COc1ccccc1C1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000592677053 459662964 /nfs/dbraw/zinc/66/29/64/459662964.db2.gz QDMATIPPLNUILC-UHFFFAOYSA-N 0 0 340.379 3.342 10 5 EGBERN Cc1cc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([N+](=O)[O-])s1 ZINC000596514104 459663210 /nfs/dbraw/zinc/66/32/10/459663210.db2.gz IDEZIICWYVERBO-ZIAGYGMSSA-N 0 0 337.445 3.020 10 5 EGBERN COc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000592679272 459663483 /nfs/dbraw/zinc/66/34/83/459663483.db2.gz OWPXSEYKVCYCRQ-CHWSQXEVSA-N 0 0 344.342 3.276 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)C1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000592681590 459664325 /nfs/dbraw/zinc/66/43/25/459664325.db2.gz PJNQTAZYJZYGOU-OAHLLOKOSA-N 0 0 334.420 3.002 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCC1(O)CCC(F)(F)CC1)CCCC2 ZINC000596527382 459666884 /nfs/dbraw/zinc/66/68/84/459666884.db2.gz CRGZLZYEDBRFTQ-UHFFFAOYSA-N 0 0 341.358 3.221 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562907440 459668070 /nfs/dbraw/zinc/66/80/70/459668070.db2.gz ODADPCTUCGYEEY-AWEZNQCLSA-N 0 0 335.404 3.468 10 5 EGBERN CC1(C)CC(Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000596553360 459674591 /nfs/dbraw/zinc/67/45/91/459674591.db2.gz QUMXFUBQEMLQGP-UHFFFAOYSA-N 0 0 348.790 3.395 10 5 EGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000596555597 459675071 /nfs/dbraw/zinc/67/50/71/459675071.db2.gz RDYDJTWFZFCDSK-IONNQARKSA-N 0 0 339.701 3.189 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCO[C@H](CC(F)(F)F)C3)ccnc21 ZINC000596558659 459676137 /nfs/dbraw/zinc/67/61/37/459676137.db2.gz STCVUYSQJKANJQ-SNVBAGLBSA-N 0 0 341.289 3.301 10 5 EGBERN Cc1nn(C)c(C(=O)NC2(c3cccc(Cl)c3)CCC2)c1[N+](=O)[O-] ZINC000592722774 459677000 /nfs/dbraw/zinc/67/70/00/459677000.db2.gz XFXLARPKRSNKQS-UHFFFAOYSA-N 0 0 348.790 3.099 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc2c(c1)CCCO2 ZINC000596571951 459680831 /nfs/dbraw/zinc/68/08/31/459680831.db2.gz BPOGVQPMERDOHI-LLVKDONJSA-N 0 0 341.367 3.192 10 5 EGBERN Cn1ncc2c1CC(C)(C)CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000596598372 459692740 /nfs/dbraw/zinc/69/27/40/459692740.db2.gz DIHDWMMROCHIHG-UHFFFAOYSA-N 0 0 332.379 3.052 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000592818126 459697853 /nfs/dbraw/zinc/69/78/53/459697853.db2.gz BXWPJICWCCHZLF-TZMCWYRMSA-N 0 0 348.399 3.035 10 5 EGBERN CC1(CC(F)F)CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000592834115 459701386 /nfs/dbraw/zinc/70/13/86/459701386.db2.gz DKMGWWRBJTYVQG-UHFFFAOYSA-N 0 0 340.326 3.061 10 5 EGBERN CC(C)[C@@H]1N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC12CC=CC2 ZINC000592899343 459715918 /nfs/dbraw/zinc/71/59/18/459715918.db2.gz DMFODTAZZHVCKZ-INIZCTEOSA-N 0 0 344.367 3.140 10 5 EGBERN CNc1c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000592901256 459717265 /nfs/dbraw/zinc/71/72/65/459717265.db2.gz KPEDCABDAOQESG-INIZCTEOSA-N 0 0 329.400 3.453 10 5 EGBERN CC(C)[C@@H]1N(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592903998 459718193 /nfs/dbraw/zinc/71/81/93/459718193.db2.gz YHIYIXYPKUWUHP-KRWDZBQOSA-N 0 0 329.400 3.210 10 5 EGBERN COCC1(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000563173500 459730526 /nfs/dbraw/zinc/73/05/26/459730526.db2.gz CBYDUFURRSEYKH-LBPRGKRZSA-N 0 0 338.429 3.008 10 5 EGBERN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cscn1 ZINC000596745199 459749860 /nfs/dbraw/zinc/74/98/60/459749860.db2.gz YDZNSRSFQVDAAD-LLVKDONJSA-N 0 0 346.412 3.487 10 5 EGBERN O=[N+]([O-])c1cnn(CCN2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC000593053241 459756763 /nfs/dbraw/zinc/75/67/63/459756763.db2.gz YYGXLIWSRIBXCY-UHFFFAOYSA-N 0 0 338.367 3.110 10 5 EGBERN COc1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000593054581 459757273 /nfs/dbraw/zinc/75/72/73/459757273.db2.gz KUGYJZNTTKNYMU-UHFFFAOYSA-N 0 0 348.296 3.470 10 5 EGBERN CCC(C)(CC)NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593060340 459760621 /nfs/dbraw/zinc/76/06/21/459760621.db2.gz VPPYAOWFUYWEGB-UHFFFAOYSA-N 0 0 344.415 3.457 10 5 EGBERN CC(C)(NC(=O)NC[C@]1(C)CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000596826387 459772331 /nfs/dbraw/zinc/77/23/31/459772331.db2.gz ZWMVTVZAIUDEKL-AWEZNQCLSA-N 0 0 327.331 3.174 10 5 EGBERN COc1ccc(NC(=O)N2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000596832757 459774108 /nfs/dbraw/zinc/77/41/08/459774108.db2.gz TXQZAYJSLSTARY-LLVKDONJSA-N 0 0 325.340 3.207 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000596841978 459776377 /nfs/dbraw/zinc/77/63/77/459776377.db2.gz KZPAMHLXFCTBAA-LLVKDONJSA-N 0 0 347.293 3.088 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596865289 459781742 /nfs/dbraw/zinc/78/17/42/459781742.db2.gz DJWQNBFHXQFIRH-CALCHBBNSA-N 0 0 333.388 3.102 10 5 EGBERN CCn1ccc(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000593151351 459789328 /nfs/dbraw/zinc/78/93/28/459789328.db2.gz NDAOETNGNUYDBI-UHFFFAOYSA-N 0 0 330.388 3.290 10 5 EGBERN CC1(C)OCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596929905 459799134 /nfs/dbraw/zinc/79/91/34/459799134.db2.gz AWBBHUAFYFIMMQ-CQSZACIVSA-N 0 0 347.415 3.084 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCOCC(C)C)c1 ZINC000593199500 459805820 /nfs/dbraw/zinc/80/58/20/459805820.db2.gz YNGCKVUSWNAIOZ-UHFFFAOYSA-N 0 0 327.402 3.287 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593252488 459821091 /nfs/dbraw/zinc/82/10/91/459821091.db2.gz KZGJNMUUPSQGLE-CQSZACIVSA-N 0 0 345.374 3.310 10 5 EGBERN CCCCOCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093634 459836151 /nfs/dbraw/zinc/83/61/51/459836151.db2.gz GPKSSBJUWRUIEU-UHFFFAOYSA-N 0 0 344.799 3.159 10 5 EGBERN CC(C)CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC1 ZINC000597093986 459836431 /nfs/dbraw/zinc/83/64/31/459836431.db2.gz DAFOFYIHYJQGTQ-UHFFFAOYSA-N 0 0 326.784 3.483 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1F ZINC000597101595 459837516 /nfs/dbraw/zinc/83/75/16/459837516.db2.gz SGTBJGGDFLRSIU-CBAPKCEASA-N 0 0 330.747 3.042 10 5 EGBERN C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597101740 459837682 /nfs/dbraw/zinc/83/76/82/459837682.db2.gz STFIKJFTBNDCQN-IUCAKERBSA-N 0 0 326.784 3.483 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C(C)(C)c1ccccc1 ZINC000585740252 459838751 /nfs/dbraw/zinc/83/87/51/459838751.db2.gz QWVKWXHFIGAFQQ-UHFFFAOYSA-N 0 0 348.424 3.459 10 5 EGBERN C[C@@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)n1cccc1 ZINC000574603952 459839443 /nfs/dbraw/zinc/83/94/43/459839443.db2.gz XCIKNMPCIKTRFO-ZDUSSCGKSA-N 0 0 340.383 3.188 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000598295910 459851931 /nfs/dbraw/zinc/85/19/31/459851931.db2.gz IOXZCEWXIWRHMX-CABCVRRESA-N 0 0 347.415 3.154 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298895 459852433 /nfs/dbraw/zinc/85/24/33/459852433.db2.gz VKWXNYYMIZFNGF-NEPJUHHUSA-N 0 0 338.429 3.346 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000593360657 459862299 /nfs/dbraw/zinc/86/22/99/459862299.db2.gz HDCGQVZCUJVGDD-CQSZACIVSA-N 0 0 336.388 3.096 10 5 EGBERN COCc1ccnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000593368240 459868055 /nfs/dbraw/zinc/86/80/55/459868055.db2.gz BFAZFOLQSRPJND-LLVKDONJSA-N 0 0 347.396 3.256 10 5 EGBERN COCc1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000593370121 459868830 /nfs/dbraw/zinc/86/88/30/459868830.db2.gz YMEHHFRYMIHYGJ-UHFFFAOYSA-N 0 0 329.356 3.053 10 5 EGBERN CCOc1cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000586777530 459870047 /nfs/dbraw/zinc/87/00/47/459870047.db2.gz QXJVUXGLOPZJKX-IINYFYTJSA-N 0 0 348.321 3.145 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598348348 459874289 /nfs/dbraw/zinc/87/42/89/459874289.db2.gz FKJGNXVDTQIRNG-LLVKDONJSA-N 0 0 338.791 3.422 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598355967 459877810 /nfs/dbraw/zinc/87/78/10/459877810.db2.gz XVRFVQNFZBULQG-LBPRGKRZSA-N 0 0 343.383 3.250 10 5 EGBERN COc1ccc(CC(=O)N[C@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000598367660 459880698 /nfs/dbraw/zinc/88/06/98/459880698.db2.gz WELWIWYPADDWMR-LMWSTFAQSA-N 0 0 338.379 3.179 10 5 EGBERN COc1cc(CNCc2ccc(Cl)o2)c([N+](=O)[O-])cc1OC ZINC000608781852 459881519 /nfs/dbraw/zinc/88/15/19/459881519.db2.gz LEJPYAWAJPGOSU-UHFFFAOYSA-N 0 0 326.736 3.148 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(C)C)C2CC2)cc1OC ZINC000598381233 459884353 /nfs/dbraw/zinc/88/43/53/459884353.db2.gz LJTJUAATEICEEB-MRXNPFEDSA-N 0 0 336.388 3.167 10 5 EGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000598399819 459889542 /nfs/dbraw/zinc/88/95/42/459889542.db2.gz VCGTYQOUNHDTMF-UHFFFAOYSA-N 0 0 335.747 3.256 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000602329182 459895711 /nfs/dbraw/zinc/89/57/11/459895711.db2.gz MLQAPCSXCPIMSY-NSHDSACASA-N 0 0 344.371 3.025 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000602329179 459895850 /nfs/dbraw/zinc/89/58/50/459895850.db2.gz MLQAPCSXCPIMSY-LLVKDONJSA-N 0 0 344.371 3.025 10 5 EGBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C(F)(F)F)O1 ZINC000593465424 459897271 /nfs/dbraw/zinc/89/72/71/459897271.db2.gz PAYXYDUPBAXVTP-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN CC[C@@H](Nc1nc(C)cc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000587992922 459899770 /nfs/dbraw/zinc/89/97/70/459899770.db2.gz QVTBTCHRESQJCR-CYBMUJFWSA-N 0 0 330.344 3.043 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOC1(C)C ZINC000598455166 459902374 /nfs/dbraw/zinc/90/23/74/459902374.db2.gz PZLVWVMUNXWKHD-LLVKDONJSA-N 0 0 338.429 3.252 10 5 EGBERN CC1(C)OCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598456294 459902534 /nfs/dbraw/zinc/90/25/34/459902534.db2.gz YPWRYDOGUBQSQD-VIFPVBQESA-N 0 0 346.305 3.159 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](CCF)C1 ZINC000597286937 459904418 /nfs/dbraw/zinc/90/44/18/459904418.db2.gz BEAJFVCGPQVSSS-CYBMUJFWSA-N 0 0 347.394 3.449 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588039568 459905179 /nfs/dbraw/zinc/90/51/79/459905179.db2.gz PPXMGPOMXJTWTR-MQMHXKEQSA-N 0 0 327.384 3.336 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000598468465 459905521 /nfs/dbraw/zinc/90/55/21/459905521.db2.gz DDTSUFZHLLIWPO-CQSZACIVSA-N 0 0 340.379 3.405 10 5 EGBERN Cc1c(Br)c(N2CC[C@H](C(F)F)C2)ncc1[N+](=O)[O-] ZINC000588040760 459905485 /nfs/dbraw/zinc/90/54/85/459905485.db2.gz OJQZHDABHLETCJ-ZETCQYMHSA-N 0 0 336.136 3.152 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](c1ccccc1)C(F)(F)F ZINC000609128075 459906547 /nfs/dbraw/zinc/90/65/47/459906547.db2.gz PHEMSFDKRQBTEE-ZDUSSCGKSA-N 0 0 341.289 3.309 10 5 EGBERN COC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(C)(C)O1 ZINC000588054694 459906707 /nfs/dbraw/zinc/90/67/07/459906707.db2.gz LUSOYZGOKICUNT-LLVKDONJSA-N 0 0 348.321 3.244 10 5 EGBERN Cc1noc([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000588083669 459910549 /nfs/dbraw/zinc/91/05/49/459910549.db2.gz HYXBFWJUOUCXJT-CQSZACIVSA-N 0 0 325.328 3.176 10 5 EGBERN CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593522387 459913907 /nfs/dbraw/zinc/91/39/07/459913907.db2.gz HTDNIYCEVYASSI-UHFFFAOYSA-N 0 0 343.449 3.073 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609166868 459917807 /nfs/dbraw/zinc/91/78/07/459917807.db2.gz JFLMQDLYVIBSAI-ZIAGYGMSSA-N 0 0 328.372 3.083 10 5 EGBERN COc1cc(C(=O)NC2CC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000598503278 459922507 /nfs/dbraw/zinc/92/25/07/459922507.db2.gz SOKBEMLVWPKSDE-UHFFFAOYSA-N 0 0 344.314 3.123 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000588180081 459925990 /nfs/dbraw/zinc/92/59/90/459925990.db2.gz HCSOAXFZHXILRI-SNVBAGLBSA-N 0 0 349.131 3.275 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000598510782 459927067 /nfs/dbraw/zinc/92/70/67/459927067.db2.gz XKVUIDBVAYJPOE-GHMZBOCLSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H](C1CC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597406366 459942650 /nfs/dbraw/zinc/94/26/50/459942650.db2.gz IERSLTWIESSXPQ-LBPRGKRZSA-N 0 0 341.415 3.498 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000597423009 459948048 /nfs/dbraw/zinc/94/80/48/459948048.db2.gz XFSKIAKXXSULSL-CQSZACIVSA-N 0 0 342.399 3.242 10 5 EGBERN CC(C)(CNC(=O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000598581004 459950611 /nfs/dbraw/zinc/95/06/11/459950611.db2.gz FMDKIYCYHFCHBB-UHFFFAOYSA-N 0 0 334.294 3.068 10 5 EGBERN CO[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC000597466395 459963232 /nfs/dbraw/zinc/96/32/32/459963232.db2.gz CPHYNOAINZBMCO-KRWDZBQOSA-N 0 0 332.400 3.291 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000609454185 459965840 /nfs/dbraw/zinc/96/58/40/459965840.db2.gz XWPWDFYGZNMTSI-UHFFFAOYSA-N 0 0 346.358 3.495 10 5 EGBERN Cc1cccc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000575356047 459966008 /nfs/dbraw/zinc/96/60/08/459966008.db2.gz UBDVIACFNDJMJH-UHFFFAOYSA-N 0 0 334.322 3.083 10 5 EGBERN COC(=O)c1ccnc(N2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000598621421 459966439 /nfs/dbraw/zinc/96/64/39/459966439.db2.gz VYMHNNVTIAVUSV-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598663309 459983877 /nfs/dbraw/zinc/98/38/77/459983877.db2.gz VUQMNQDLXHYENO-GFCCVEGCSA-N 0 0 339.342 3.314 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cc2ccccc2o1 ZINC000588875841 459995007 /nfs/dbraw/zinc/99/50/07/459995007.db2.gz CRYYSZWGQGBCFL-UHFFFAOYSA-N 0 0 346.289 3.478 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)c1 ZINC000593820717 459996477 /nfs/dbraw/zinc/99/64/77/459996477.db2.gz NXHVGSSWCBHNIH-UHFFFAOYSA-N 0 0 348.399 3.097 10 5 EGBERN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000588942346 460008670 /nfs/dbraw/zinc/00/86/70/460008670.db2.gz YFHNQWXTVJOQAU-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN CCCCCc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000597626740 460011216 /nfs/dbraw/zinc/01/12/16/460011216.db2.gz IWHGJGAQEPXXHC-UHFFFAOYSA-N 0 0 344.415 3.365 10 5 EGBERN COCC1(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000598733674 460011700 /nfs/dbraw/zinc/01/17/00/460011700.db2.gz AIPDRQDSGOZWKP-UHFFFAOYSA-N 0 0 334.416 3.193 10 5 EGBERN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000597630099 460013154 /nfs/dbraw/zinc/01/31/54/460013154.db2.gz CDPHXONJQAZECF-GFCCVEGCSA-N 0 0 343.177 3.111 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(CC2CC2)c1 ZINC000618461952 460018303 /nfs/dbraw/zinc/01/83/03/460018303.db2.gz LSAFDVICHHNNKF-UHFFFAOYSA-N 0 0 334.763 3.415 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000609797321 460019954 /nfs/dbraw/zinc/01/99/54/460019954.db2.gz JYVFQQGEGAWJEP-UHFFFAOYSA-N 0 0 345.746 3.348 10 5 EGBERN COC(=O)c1cc(NC(=O)c2nc(C)c(C)s2)c(C)c([N+](=O)[O-])c1 ZINC000618483748 460024542 /nfs/dbraw/zinc/02/45/42/460024542.db2.gz FITTYFHTXSMMNL-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CCc2cccc(Br)c2C1 ZINC000609823094 460024477 /nfs/dbraw/zinc/02/44/77/460024477.db2.gz CWKJBRYUAPHESY-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN C[C@@H](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)n1cccc1 ZINC000609853640 460028944 /nfs/dbraw/zinc/02/89/44/460028944.db2.gz FAGRSDSAIJCMIF-LBPRGKRZSA-N 0 0 345.355 3.147 10 5 EGBERN Cc1c(Cc2noc(C[C@@H](O)CC(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000589137896 460036890 /nfs/dbraw/zinc/03/68/90/460036890.db2.gz ZITYPGBWIQLDLT-CYBMUJFWSA-N 0 0 333.388 3.217 10 5 EGBERN CO[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000597725200 460039662 /nfs/dbraw/zinc/03/96/62/460039662.db2.gz SWIZOSADUWRURZ-YQQAZPJKSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000597727148 460041027 /nfs/dbraw/zinc/04/10/27/460041027.db2.gz IBIYEEMKLQTQFU-QGZVFWFLSA-N 0 0 338.363 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728600 460041394 /nfs/dbraw/zinc/04/13/94/460041394.db2.gz XDHPFSDQTKZAOO-QGZVFWFLSA-N 0 0 338.363 3.391 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)CCOC2 ZINC000598806232 460043103 /nfs/dbraw/zinc/04/31/03/460043103.db2.gz ULIBMSADLLIVFB-LBPRGKRZSA-N 0 0 338.363 3.259 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)n1 ZINC000598821180 460051382 /nfs/dbraw/zinc/05/13/82/460051382.db2.gz LOPMZBVXHYWUQF-ZDUSSCGKSA-N 0 0 328.372 3.030 10 5 EGBERN Cc1cn2cc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000610018747 460052201 /nfs/dbraw/zinc/05/22/01/460052201.db2.gz NKLQYWACJJPORH-LBPRGKRZSA-N 0 0 339.355 3.434 10 5 EGBERN Cc1cc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598827194 460053818 /nfs/dbraw/zinc/05/38/18/460053818.db2.gz DYKZLAHRVIDPJQ-HOTGVXAUSA-N 0 0 326.352 3.272 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC000598839578 460060061 /nfs/dbraw/zinc/06/00/61/460060061.db2.gz YYHDLPDJWOQXTJ-UHFFFAOYSA-N 0 0 346.383 3.219 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)COCc1cccc(C)c1 ZINC000598844204 460062916 /nfs/dbraw/zinc/06/29/16/460062916.db2.gz XTWNIICGVOZLEE-UHFFFAOYSA-N 0 0 344.367 3.457 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@H]2C[C@@H]2C)[nH][nH]1 ZINC000597796398 460064346 /nfs/dbraw/zinc/06/43/46/460064346.db2.gz PZLNIAWYYUJCRY-XVKPBYJWSA-N 0 0 334.763 3.077 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594053986 460074865 /nfs/dbraw/zinc/07/48/65/460074865.db2.gz GADYLERIUYZQCY-VXGBXAGGSA-N 0 0 347.293 3.216 10 5 EGBERN C[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000598881193 460081496 /nfs/dbraw/zinc/08/14/96/460081496.db2.gz GULYYHLTSBFCKG-CYBMUJFWSA-N 0 0 325.368 3.463 10 5 EGBERN C[C@H](C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594068324 460084438 /nfs/dbraw/zinc/08/44/38/460084438.db2.gz GBQMVEVKZHOEGX-VUCTXSBTSA-N 0 0 332.400 3.162 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594068788 460084538 /nfs/dbraw/zinc/08/45/38/460084538.db2.gz NNFADWCEIFDBAZ-DOTOQJQBSA-N 0 0 348.399 3.071 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594067819 460085034 /nfs/dbraw/zinc/08/50/34/460085034.db2.gz ASKVVSIWTXWLPT-MLHJIOFPSA-N 0 0 344.411 3.162 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597863998 460085276 /nfs/dbraw/zinc/08/52/76/460085276.db2.gz KRLYUOXHTYNVED-CYBMUJFWSA-N 0 0 327.384 3.187 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000594069804 460086191 /nfs/dbraw/zinc/08/61/91/460086191.db2.gz RFQCSFVNKSSMHY-SJORKVTESA-N 0 0 346.427 3.336 10 5 EGBERN COc1cc(C(=O)Nc2cncc3c2CCCC3)c([N+](=O)[O-])cc1F ZINC000597871080 460088658 /nfs/dbraw/zinc/08/86/58/460088658.db2.gz VNLNWWSRWKHUDO-UHFFFAOYSA-N 0 0 345.330 3.269 10 5 EGBERN COc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1 ZINC000610244639 460094566 /nfs/dbraw/zinc/09/45/66/460094566.db2.gz ZXMRLSBFBDORHG-SNVBAGLBSA-N 0 0 333.369 3.118 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2N(C)C(=O)C1 ZINC000598938148 460096182 /nfs/dbraw/zinc/09/61/82/460096182.db2.gz ARISMNOYVBTOKK-ZDUSSCGKSA-N 0 0 325.368 3.134 10 5 EGBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598945296 460098227 /nfs/dbraw/zinc/09/82/27/460098227.db2.gz ABTKYJIOIVXPSI-LLVKDONJSA-N 0 0 331.759 3.103 10 5 EGBERN CSc1ccc(C(=O)NC[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000598949008 460099504 /nfs/dbraw/zinc/09/95/04/460099504.db2.gz RTOZGVCPTUQAPG-CYBMUJFWSA-N 0 0 343.408 3.172 10 5 EGBERN COc1cc(C(=O)NCc2cccc(C)c2OC)cc([N+](=O)[O-])c1C ZINC000594107870 460105071 /nfs/dbraw/zinc/10/50/71/460105071.db2.gz OTNWNHTZXLOIGO-UHFFFAOYSA-N 0 0 344.367 3.159 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1cccc([N+](=O)[O-])c1 ZINC000598971694 460109693 /nfs/dbraw/zinc/10/96/93/460109693.db2.gz BEMUQKBIXZTRRU-DFBGVHRSSA-N 0 0 335.429 3.335 10 5 EGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)[C@@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000602760250 460110182 /nfs/dbraw/zinc/11/01/82/460110182.db2.gz ZBNSUOPESMVHAK-RXXLQFRUSA-N 0 0 349.390 3.493 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000597918988 460110649 /nfs/dbraw/zinc/11/06/49/460110649.db2.gz JBDXVKKKLMHIRH-ZDUSSCGKSA-N 0 0 338.429 3.252 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(F)cc2C)c1 ZINC000597922304 460112616 /nfs/dbraw/zinc/11/26/16/460112616.db2.gz ZVBBWYQNZYHDNP-GFCCVEGCSA-N 0 0 346.358 3.412 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597925655 460114439 /nfs/dbraw/zinc/11/44/39/460114439.db2.gz WQDZEXUWBOSJLL-GOSISDBHSA-N 0 0 332.400 3.161 10 5 EGBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CO1 ZINC000597935402 460117798 /nfs/dbraw/zinc/11/77/98/460117798.db2.gz USLFNXILJXTESQ-CQSZACIVSA-N 0 0 343.383 3.133 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000594140110 460122988 /nfs/dbraw/zinc/12/29/88/460122988.db2.gz OQYJBWUNVCRQKE-HAQNSBGRSA-N 0 0 343.383 3.219 10 5 EGBERN Cc1ccncc1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000597978521 460133918 /nfs/dbraw/zinc/13/39/18/460133918.db2.gz UNKSGJGPNDEDRV-CYBMUJFWSA-N 0 0 345.424 3.138 10 5 EGBERN Cc1ccncc1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000597978522 460133969 /nfs/dbraw/zinc/13/39/69/460133969.db2.gz UNKSGJGPNDEDRV-ZDUSSCGKSA-N 0 0 345.424 3.138 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000594174879 460137230 /nfs/dbraw/zinc/13/72/30/460137230.db2.gz NVJCQMAZKROHEX-SECBINFHSA-N 0 0 327.331 3.242 10 5 EGBERN CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594177439 460138373 /nfs/dbraw/zinc/13/83/73/460138373.db2.gz QKENWBVTPGVWJR-YPMHNXCESA-N 0 0 326.780 3.326 10 5 EGBERN CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594186254 460140050 /nfs/dbraw/zinc/14/00/50/460140050.db2.gz NFZAEHVZWPDPEU-LSDHHAIUSA-N 0 0 338.429 3.151 10 5 EGBERN COc1cc(OCC(=O)N2CCC(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000597995123 460140079 /nfs/dbraw/zinc/14/00/79/460140079.db2.gz OUMSWJJTQRJYKJ-UHFFFAOYSA-N 0 0 348.399 3.021 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cscn1 ZINC000598013615 460143855 /nfs/dbraw/zinc/14/38/55/460143855.db2.gz ARRUWPUFYPJVLI-AAEUAGOBSA-N 0 0 333.413 3.497 10 5 EGBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](C2CCOCC2)C1 ZINC000599057287 460144442 /nfs/dbraw/zinc/14/44/42/460144442.db2.gz BNNHEMFSRPYHED-OAHLLOKOSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1c(CC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594202970 460148356 /nfs/dbraw/zinc/14/83/56/460148356.db2.gz IWTVWKCIHZRVBM-CQSZACIVSA-N 0 0 346.427 3.396 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000599067396 460149243 /nfs/dbraw/zinc/14/92/43/460149243.db2.gz VVXFUQWWKSDAIN-NUJGCVRESA-N 0 0 343.383 3.282 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594213758 460156037 /nfs/dbraw/zinc/15/60/37/460156037.db2.gz ZTGVIRKUDMFOBT-TZMCWYRMSA-N 0 0 337.420 3.406 10 5 EGBERN C[C@@H](C(=O)N1CC2(CCC2)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598055397 460156347 /nfs/dbraw/zinc/15/63/47/460156347.db2.gz SHSHDXJUXUWZAS-VXGBXAGGSA-N 0 0 336.363 3.007 10 5 EGBERN CCc1ccc(C(=O)N2CC(COC)(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000598061196 460157815 /nfs/dbraw/zinc/15/78/15/460157815.db2.gz JJRJHCRTSFIEGE-UHFFFAOYSA-N 0 0 332.400 3.046 10 5 EGBERN O=C1CCCC12CCN(c1ccc3cnccc3c1[N+](=O)[O-])CC2 ZINC000599103710 460161635 /nfs/dbraw/zinc/16/16/35/460161635.db2.gz JVNHSUIFTPMBFR-UHFFFAOYSA-N 0 0 325.368 3.483 10 5 EGBERN NC(=O)CC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCCC1 ZINC000599110892 460164256 /nfs/dbraw/zinc/16/42/56/460164256.db2.gz FZHGHUZVVDCDGR-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN CS(=O)(=O)c1ccc(SC[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000599124887 460167844 /nfs/dbraw/zinc/16/78/44/460167844.db2.gz CONWUXXRWKIXDH-JGPRNRPPSA-N 0 0 327.427 3.137 10 5 EGBERN CC(C)(C)Oc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599138067 460171396 /nfs/dbraw/zinc/17/13/96/460171396.db2.gz FJUXSUAFOLLJDU-UHFFFAOYSA-N 0 0 343.383 3.140 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594252918 460172576 /nfs/dbraw/zinc/17/25/76/460172576.db2.gz CIJYHJWATPZVOZ-DLBZAZTESA-N 0 0 347.415 3.084 10 5 EGBERN CC[C@H](NC(=O)c1cnn(C)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610556406 460183297 /nfs/dbraw/zinc/18/32/97/460183297.db2.gz NUEZHBDTULUJIS-LBPRGKRZSA-N 0 0 338.314 3.147 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(OC2CC2)c1F ZINC000598139782 460186706 /nfs/dbraw/zinc/18/67/06/460186706.db2.gz FSXIHLLRWZKEMN-UHFFFAOYSA-N 0 0 344.342 3.134 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3C[C@@H]4CCC[C@]4(CO)C3)n2)cc1 ZINC000599173618 460186900 /nfs/dbraw/zinc/18/69/00/460186900.db2.gz GCNPYRUTLBXFSY-SUMWQHHRSA-N 0 0 345.424 3.317 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(NCC3COC3)c([N+](=O)[O-])c2)cc1 ZINC000599176424 460187977 /nfs/dbraw/zinc/18/79/77/460187977.db2.gz VATZFMMHKBBQOE-UHFFFAOYSA-N 0 0 341.367 3.214 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CO[C@H](C2CC2)C1 ZINC000599182631 460191147 /nfs/dbraw/zinc/19/11/47/460191147.db2.gz ZSYKWWHIZFPRDY-SKDRFNHKSA-N 0 0 327.178 3.337 10 5 EGBERN Cc1c(Br)c(N[C@H]2CO[C@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000599181922 460191527 /nfs/dbraw/zinc/19/15/27/460191527.db2.gz VFVLUXCCOFGPFG-KOLCDFICSA-N 0 0 342.193 3.040 10 5 EGBERN CC(C)Oc1nc(N2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000599192933 460195200 /nfs/dbraw/zinc/19/52/00/460195200.db2.gz TZRDWLLHENXPLQ-CQSZACIVSA-N 0 0 343.383 3.477 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CCF)C1 ZINC000598219327 460209950 /nfs/dbraw/zinc/20/99/50/460209950.db2.gz HKFZXTZPEIWLKK-LBPRGKRZSA-N 0 0 326.393 3.285 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598230007 460215814 /nfs/dbraw/zinc/21/58/14/460215814.db2.gz NBIUKAGYVBYWFH-LBPRGKRZSA-N 0 0 336.344 3.009 10 5 EGBERN COc1cccc([C@]2(C)CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000598232790 460215858 /nfs/dbraw/zinc/21/58/58/460215858.db2.gz RHFFXRUJAHRDQU-QGZVFWFLSA-N 0 0 346.408 3.469 10 5 EGBERN O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000610771677 460234388 /nfs/dbraw/zinc/23/43/88/460234388.db2.gz MHDLAOGLHJGMSR-UHFFFAOYSA-N 0 0 349.350 3.441 10 5 EGBERN O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cn1 ZINC000610771421 460234671 /nfs/dbraw/zinc/23/46/71/460234671.db2.gz JZHVHAVJXNRUPR-UHFFFAOYSA-N 0 0 344.758 3.097 10 5 EGBERN COC(=O)c1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC000610892892 460257223 /nfs/dbraw/zinc/25/72/23/460257223.db2.gz DVUVOXDRUMWEML-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc2ccccc2c2cccnc12 ZINC000619085099 460264621 /nfs/dbraw/zinc/26/46/21/460264621.db2.gz AIFMTNXWJGQEKB-ROUUACIJSA-N 0 0 332.403 3.421 10 5 EGBERN COC(=O)[C@](C)(NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599643767 460296399 /nfs/dbraw/zinc/29/63/99/460296399.db2.gz QQOUWAHPYNYIMR-LJQANCHMSA-N 0 0 342.395 3.205 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ncccc2C1 ZINC000611207551 460308100 /nfs/dbraw/zinc/30/81/00/460308100.db2.gz JEQDKWPVQLVUQV-UHFFFAOYSA-N 0 0 343.408 3.300 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1COC(C)C ZINC000603501981 460313225 /nfs/dbraw/zinc/31/32/25/460313225.db2.gz JAEYCGIJJWZOAD-UHFFFAOYSA-N 0 0 343.383 3.153 10 5 EGBERN Cc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000599694312 460313860 /nfs/dbraw/zinc/31/38/60/460313860.db2.gz HHJJFTDPCLXEQX-INIZCTEOSA-N 0 0 341.367 3.166 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611257893 460319785 /nfs/dbraw/zinc/31/97/85/460319785.db2.gz WNHQZOMSWFWTCQ-UHFFFAOYSA-N 0 0 340.383 3.079 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000611274692 460325782 /nfs/dbraw/zinc/32/57/82/460325782.db2.gz HKDZTBKTKSTOIU-UHFFFAOYSA-N 0 0 340.379 3.322 10 5 EGBERN CO[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000599769903 460330483 /nfs/dbraw/zinc/33/04/83/460330483.db2.gz DTJKVEYPPNVFCA-WAAGHKOSSA-N 0 0 347.293 3.160 10 5 EGBERN C[C@@H]1SCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835447 460345335 /nfs/dbraw/zinc/34/53/35/460345335.db2.gz WWGQMOMHHGWBSB-JOYOIKCWSA-N 0 0 332.385 3.159 10 5 EGBERN CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599836715 460345353 /nfs/dbraw/zinc/34/53/53/460345353.db2.gz VYJUYGHELFSMCY-UHFFFAOYSA-N 0 0 332.385 3.160 10 5 EGBERN COCCCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838059 460346238 /nfs/dbraw/zinc/34/62/38/460346238.db2.gz IWZKHSWGWNDKBN-UHFFFAOYSA-N 0 0 332.360 3.033 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CS1 ZINC000599840837 460347118 /nfs/dbraw/zinc/34/71/18/460347118.db2.gz UMNQWUOYPOHSLS-NXEZZACHSA-N 0 0 332.385 3.159 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000599906796 460356518 /nfs/dbraw/zinc/35/65/18/460356518.db2.gz IVUFVRVPNRVYMK-JKSUJKDBSA-N 0 0 330.409 3.461 10 5 EGBERN CCO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000599916367 460359052 /nfs/dbraw/zinc/35/90/52/460359052.db2.gz IRGSPJRDEHXAIG-LBPRGKRZSA-N 0 0 343.177 3.111 10 5 EGBERN O=C(c1ccccc1)N1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611411360 460359285 /nfs/dbraw/zinc/35/92/85/460359285.db2.gz LMILDWAMPAKMQK-UHFFFAOYSA-N 0 0 331.397 3.373 10 5 EGBERN O=C([C@H]1CC12CCN(c1sccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611414053 460359878 /nfs/dbraw/zinc/35/98/78/460359878.db2.gz DEGRFDQUZYKZFN-CYBMUJFWSA-N 0 0 349.456 3.275 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCC12CC2 ZINC000599946172 460362631 /nfs/dbraw/zinc/36/26/31/460362631.db2.gz XGTLRYZUDJYBBC-HNNXBMFYSA-N 0 0 327.384 3.315 10 5 EGBERN CCOC(=O)c1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000611451457 460369184 /nfs/dbraw/zinc/36/91/84/460369184.db2.gz PEHDQCWVEANOHX-UHFFFAOYSA-N 0 0 346.314 3.471 10 5 EGBERN COc1cc(CN2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502381 460378904 /nfs/dbraw/zinc/37/89/04/460378904.db2.gz RRTBNUZZOSNEDD-ONGXEEELSA-N 0 0 348.321 3.385 10 5 EGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000611501368 460379805 /nfs/dbraw/zinc/37/98/05/460379805.db2.gz BEDISWCRVMGCHE-SUNKGSAMSA-N 0 0 334.351 3.386 10 5 EGBERN C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611505654 460380541 /nfs/dbraw/zinc/38/05/41/460380541.db2.gz LANOQKYKOJGBMK-KWQFWETISA-N 0 0 345.168 3.177 10 5 EGBERN CCC(CC)c1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)on1 ZINC000611525964 460388776 /nfs/dbraw/zinc/38/87/76/460388776.db2.gz UIYKGEKZSJNXGF-UHFFFAOYSA-N 0 0 334.376 3.173 10 5 EGBERN Cc1ccccc1[C@@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525849 460388793 /nfs/dbraw/zinc/38/87/93/460388793.db2.gz XCBFBEHOQNYTMT-KRWDZBQOSA-N 0 0 327.384 3.319 10 5 EGBERN CCOC(=O)c1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000600136905 460400375 /nfs/dbraw/zinc/40/03/75/460400375.db2.gz FTIBNJWJISYCOJ-CYBMUJFWSA-N 0 0 343.383 3.326 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](OC(F)F)C2)c1 ZINC000611572791 460404742 /nfs/dbraw/zinc/40/47/42/460404742.db2.gz CJPZGUXPORJTDX-SECBINFHSA-N 0 0 346.355 3.161 10 5 EGBERN Cc1occc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614809 460413861 /nfs/dbraw/zinc/41/38/61/460413861.db2.gz BZJZTHJTXGLHLK-UHFFFAOYSA-N 0 0 326.255 3.028 10 5 EGBERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000619694559 460415574 /nfs/dbraw/zinc/41/55/74/460415574.db2.gz RMXVOJMQKJRRFI-GFCCVEGCSA-N 0 0 344.440 3.471 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000604387386 460417804 /nfs/dbraw/zinc/41/78/04/460417804.db2.gz IKNGUWZAEHMQAY-CABCVRRESA-N 0 0 342.399 3.093 10 5 EGBERN CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000611710052 460436863 /nfs/dbraw/zinc/43/68/63/460436863.db2.gz ZYSFKANQUOXIBU-CQSZACIVSA-N 0 0 340.387 3.452 10 5 EGBERN Cn1c(Sc2ncnc3ccc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000611714720 460438223 /nfs/dbraw/zinc/43/82/23/460438223.db2.gz YNUJQGYYQZIJBX-UHFFFAOYSA-N 0 0 342.384 3.085 10 5 EGBERN COc1cc(Cc2noc(CCC(C)(C)C(C)=O)n2)ccc1[N+](=O)[O-] ZINC000616017486 460451516 /nfs/dbraw/zinc/45/15/16/460451516.db2.gz UHYOVLIYKPOERB-UHFFFAOYSA-N 0 0 347.371 3.125 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000600315454 460472298 /nfs/dbraw/zinc/47/22/98/460472298.db2.gz SRMQGKIKAPYBRJ-OAHLLOKOSA-N 0 0 349.337 3.295 10 5 EGBERN CCCOc1cncc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000600367940 460484300 /nfs/dbraw/zinc/48/43/00/460484300.db2.gz SYGAASFANULTCA-UHFFFAOYSA-N 0 0 333.319 3.099 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600379519 460486593 /nfs/dbraw/zinc/48/65/93/460486593.db2.gz GBVDILLTKYHYMW-UHFFFAOYSA-N 0 0 326.221 3.389 10 5 EGBERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000600378623 460486630 /nfs/dbraw/zinc/48/66/30/460486630.db2.gz ZUZIOYILFLABEE-HDJSIYSDSA-N 0 0 349.431 3.281 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000600391625 460487790 /nfs/dbraw/zinc/48/77/90/460487790.db2.gz XHNNSWMYSXELEZ-UHFFFAOYSA-N 0 0 332.351 3.243 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000600445940 460496316 /nfs/dbraw/zinc/49/63/16/460496316.db2.gz ORLJKZHGBLVHFE-LSDHHAIUSA-N 0 0 344.392 3.292 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1=O ZINC000600536847 460515102 /nfs/dbraw/zinc/51/51/02/460515102.db2.gz MUKNYNKJLHPGTA-QWRGUYRKSA-N 0 0 346.305 3.003 10 5 EGBERN CC1(C)C[C@@H](SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000600573318 460528803 /nfs/dbraw/zinc/52/88/03/460528803.db2.gz HABLUXZQPVWMFU-SNVBAGLBSA-N 0 0 344.820 3.487 10 5 EGBERN CC1(C)C[C@H](SCc2cc([N+](=O)[O-])cc3c2OCOC3)CO1 ZINC000600574888 460530252 /nfs/dbraw/zinc/53/02/52/460530252.db2.gz KJHKBZVIKCAURB-ZDUSSCGKSA-N 0 0 325.386 3.262 10 5 EGBERN COCC(C)(C)CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164556 460737459 /nfs/dbraw/zinc/73/74/59/460737459.db2.gz YKFAGSKMFXGDQQ-UHFFFAOYSA-N 0 0 338.330 3.212 10 5 EGBERN Cc1cc(F)ccc1CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617100601 460744232 /nfs/dbraw/zinc/74/42/32/460744232.db2.gz FMAPEUXYNSIJDP-UHFFFAOYSA-N 0 0 346.358 3.446 10 5 EGBERN CCn1nc(C)c(CN(C)c2ncnc3ccc([N+](=O)[O-])cc32)c1C ZINC000601208637 460750766 /nfs/dbraw/zinc/75/07/66/460750766.db2.gz HNMALMYKXSJIDY-UHFFFAOYSA-N 0 0 340.387 3.008 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](c4cccnc4)C3)c2c1 ZINC000601216706 460754625 /nfs/dbraw/zinc/75/46/25/460754625.db2.gz IKXCOIMVHXWVFY-CQSZACIVSA-N 0 0 335.367 3.317 10 5 EGBERN CC1CC(n2nnc3c2CN(c2ccc(Cl)cc2[N+](=O)[O-])CC3)C1 ZINC000601231310 460758504 /nfs/dbraw/zinc/75/85/04/460758504.db2.gz DKTNUUJZZJHLTK-UHFFFAOYSA-N 0 0 347.806 3.373 10 5 EGBERN C[C@H](C(=O)Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])cc1F ZINC000617149247 460759751 /nfs/dbraw/zinc/75/97/51/460759751.db2.gz SRKNTJFUPZKDNI-JTQLQIEISA-N 0 0 340.314 3.419 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCc1cccc3c1CCOC3)CCN2 ZINC000601238916 460762491 /nfs/dbraw/zinc/76/24/91/460762491.db2.gz AVTQRNIAKXLHAM-UHFFFAOYSA-N 0 0 325.368 3.248 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](C3CCC3)[C@H]3CCCO3)c2c1 ZINC000601250150 460764810 /nfs/dbraw/zinc/76/48/10/460764810.db2.gz JAKXVXBRSXGLJT-HZPDHXFCSA-N 0 0 328.372 3.298 10 5 EGBERN CC[C@@H](NC(=O)c1ncc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601279765 460774555 /nfs/dbraw/zinc/77/45/55/460774555.db2.gz ALNOYZXTFXDYOA-OAHLLOKOSA-N 0 0 328.372 3.009 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3ccc(C)cc32)c([N+](=O)[O-])s1 ZINC000601326569 460789512 /nfs/dbraw/zinc/78/95/12/460789512.db2.gz PEJPILMZQLVJSA-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)C2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000601365887 460796269 /nfs/dbraw/zinc/79/62/69/460796269.db2.gz YVCGYGVWMXFOFH-LBPRGKRZSA-N 0 0 326.418 3.072 10 5 EGBERN Cc1cncc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601386093 460801824 /nfs/dbraw/zinc/80/18/24/460801824.db2.gz WCPLEZJUMQDHNE-UHFFFAOYSA-N 0 0 325.368 3.036 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025697 460806406 /nfs/dbraw/zinc/80/64/06/460806406.db2.gz MUJCTUMPVYPEDW-ZDUSSCGKSA-N 0 0 349.362 3.130 10 5 EGBERN COCC1(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000601609997 460847067 /nfs/dbraw/zinc/84/70/67/460847067.db2.gz YSFLHXUBGCFISH-UHFFFAOYSA-N 0 0 346.427 3.340 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000601659114 460859834 /nfs/dbraw/zinc/85/98/34/460859834.db2.gz MDMDDBDEPQSAGC-OAHLLOKOSA-N 0 0 325.368 3.318 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000601669234 460863842 /nfs/dbraw/zinc/86/38/42/460863842.db2.gz BBXGOJNMPDYWJK-IRXDYDNUSA-N 0 0 346.358 3.222 10 5 EGBERN CN(C)c1cncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601721056 460883248 /nfs/dbraw/zinc/88/32/48/460883248.db2.gz OJZOUZXSVAAOMY-UHFFFAOYSA-N 0 0 340.383 3.116 10 5 EGBERN CCC[C@@H]1CCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601778632 460896181 /nfs/dbraw/zinc/89/61/81/460896181.db2.gz OLGTWVDFUSKXCX-QBIMZIAESA-N 0 0 334.416 3.135 10 5 EGBERN C[C@@](CO)(NC(=O)C1CCC(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601779353 460896441 /nfs/dbraw/zinc/89/64/41/460896441.db2.gz PXNWQRSVJIWKBQ-ZOJXTTQQSA-N 0 0 346.427 3.135 10 5 EGBERN CSc1ccc(C(=O)Nc2cnn3c2CCCC3)cc1[N+](=O)[O-] ZINC000601825466 460913619 /nfs/dbraw/zinc/91/36/19/460913619.db2.gz MGCWKIRACVVXBE-UHFFFAOYSA-N 0 0 332.385 3.102 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000601869704 460931419 /nfs/dbraw/zinc/93/14/19/460931419.db2.gz JVZZDWKXAHPHAU-SFHVURJKSA-N 0 0 342.399 3.172 10 5 EGBERN CO[C@@H](CSCCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000601918338 460943439 /nfs/dbraw/zinc/94/34/39/460943439.db2.gz VSJKHJHHEXIPGB-AWEZNQCLSA-N 0 0 327.450 3.428 10 5 EGBERN CC12CC(C1)CN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000621211117 460945802 /nfs/dbraw/zinc/94/58/02/460945802.db2.gz UDEOEDACUYNTGJ-UHFFFAOYSA-N 0 0 332.403 3.166 10 5 EGBERN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167527931 533735524 /nfs/dbraw/zinc/73/55/24/533735524.db2.gz GZHPXLQXQDDHIV-SFHVURJKSA-N 0 0 328.368 3.177 10 5 EGBERN C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC000173761152 534292145 /nfs/dbraw/zinc/29/21/45/534292145.db2.gz VKKAXFAOBCWKAI-NSHDSACASA-N 0 0 333.775 3.405 10 5 EGBERN CCCN(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134185833 517584186 /nfs/dbraw/zinc/58/41/86/517584186.db2.gz AJRBKZIFSWCZTQ-UHFFFAOYSA-N 0 0 348.424 3.337 10 5 EGBERN CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000191307599 528197000 /nfs/dbraw/zinc/19/70/00/528197000.db2.gz PWSNBUBWRPDBTQ-UHFFFAOYSA-N 0 0 336.735 3.078 10 5 EGBERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187452893 528769279 /nfs/dbraw/zinc/76/92/79/528769279.db2.gz MHUKFJIPZOFUGZ-IRXDYDNUSA-N 0 0 332.400 3.257 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000357996263 536509910 /nfs/dbraw/zinc/50/99/10/536509910.db2.gz UYNKFQVUUKPXFH-HUUCEWRRSA-N 0 0 326.352 3.198 10 5 EGBERN Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000371252192 547797676 /nfs/dbraw/zinc/79/76/76/547797676.db2.gz AYBOVUQVDLGJRE-UHFFFAOYSA-N 0 0 337.339 3.249 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC2(CC(F)C2)C1 ZINC000683562521 550244023 /nfs/dbraw/zinc/24/40/23/550244023.db2.gz JEAJGVWMIWMYCU-UHFFFAOYSA-N 0 0 336.366 3.255 10 5 EGBERN Cc1cc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000727901445 574700463 /nfs/dbraw/zinc/70/04/63/574700463.db2.gz WGYKWQHPZXRHHI-JTQLQIEISA-N 0 0 345.311 3.312 10 5 EGBERN CCc1noc2ncc(C(=O)OCc3csc([N+](=O)[O-])c3)cc12 ZINC000728101054 574717575 /nfs/dbraw/zinc/71/75/75/574717575.db2.gz JUGPNTNHXDDBKB-UHFFFAOYSA-N 0 0 333.325 3.112 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1F ZINC000728201608 574729141 /nfs/dbraw/zinc/72/91/41/574729141.db2.gz JQCROBBKNFNPNP-LBPRGKRZSA-N 0 0 343.358 3.432 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cc(F)cc(F)c1 ZINC000728201542 574729108 /nfs/dbraw/zinc/72/91/08/574729108.db2.gz MVOGINVABSCXCV-JTQLQIEISA-N 0 0 347.321 3.263 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000728997175 574794507 /nfs/dbraw/zinc/79/45/07/574794507.db2.gz JMJRLUMIIFAMIJ-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000729192055 574822363 /nfs/dbraw/zinc/82/23/63/574822363.db2.gz ISBTWERBYLVMOE-UHFFFAOYSA-N 0 0 347.415 3.330 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000730193225 574940313 /nfs/dbraw/zinc/94/03/13/574940313.db2.gz SKAFKJAQRBPLMH-YRYLYKBFSA-N 0 0 332.400 3.416 10 5 EGBERN C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000764390457 575075980 /nfs/dbraw/zinc/07/59/80/575075980.db2.gz JVYPIVOYPGCGIV-QMMMGPOBSA-N 0 0 328.162 3.242 10 5 EGBERN O=C(/C=C\c1ccccc1Cl)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731587257 575083824 /nfs/dbraw/zinc/08/38/24/575083824.db2.gz ZUUPJVYNYHZGRK-YHYXMXQVSA-N 0 0 346.770 3.457 10 5 EGBERN O=C(COC(=O)C1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000731704847 575201257 /nfs/dbraw/zinc/20/12/57/575201257.db2.gz MWPRLTIKPNMUOJ-UHFFFAOYSA-N 0 0 343.310 3.192 10 5 EGBERN COCCOc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000732387496 575265830 /nfs/dbraw/zinc/26/58/30/575265830.db2.gz DHCLPNRMAKRVJJ-UHFFFAOYSA-N 0 0 337.353 3.039 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000732403518 575267118 /nfs/dbraw/zinc/26/71/18/575267118.db2.gz UDYPMCNIHREOIC-VOTSOKGWSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1sc(C(=O)OCc2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000733110473 575309683 /nfs/dbraw/zinc/30/96/83/575309683.db2.gz RXLNRNHIKYJQHF-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1cccnc1 ZINC000735891720 575732499 /nfs/dbraw/zinc/73/24/99/575732499.db2.gz IDRYJWIJDFCPJE-GFCCVEGCSA-N 0 0 348.380 3.093 10 5 EGBERN Cc1ccc(/C=C/S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000738390698 576320930 /nfs/dbraw/zinc/32/09/30/576320930.db2.gz HUIDZZVMLFKYCF-ZRDIBKRKSA-N 0 0 344.392 3.266 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1N ZINC000741039676 576650839 /nfs/dbraw/zinc/65/08/39/576650839.db2.gz MJFKUYHUEMKAOP-UHFFFAOYSA-N 0 0 334.303 3.072 10 5 EGBERN CCOc1ccc(F)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1N ZINC000741039932 576651008 /nfs/dbraw/zinc/65/10/08/576651008.db2.gz WKTQZKBQWQIQQF-UHFFFAOYSA-N 0 0 334.303 3.072 10 5 EGBERN CCc1cnc(CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000743015617 576799823 /nfs/dbraw/zinc/79/98/23/576799823.db2.gz LNOQIJHWGBTOBD-UHFFFAOYSA-N 0 0 336.442 3.143 10 5 EGBERN CCC(F)(F)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000697953126 1298166838 /nfs/dbraw/zinc/16/68/38/1298166838.db2.gz RBVBXUAUQDGDPT-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN O=C(OC[C@H]1C[C@@]12CCOC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000884589920 1302920453 /nfs/dbraw/zinc/92/04/53/1302920453.db2.gz LUFZRCCTGBFVBM-FZKQIMNGSA-N 0 0 327.336 3.331 10 5 EGBERN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)cc1 ZINC000007942617 1291096802 /nfs/dbraw/zinc/09/68/02/1291096802.db2.gz NKZZZCBETGSSMC-LZCJLJQNSA-N 0 0 344.298 3.252 10 5 EGBERN CCCc1nnc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000063900354 1292029209 /nfs/dbraw/zinc/02/92/09/1292029209.db2.gz JFFXQTBCFYUOPS-FNORWQNLSA-N 0 0 336.348 3.190 10 5 EGBERN COc1cccc(/C(C)=C/C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000081049590 1292634719 /nfs/dbraw/zinc/63/47/19/1292634719.db2.gz XZJZIOQIUGWNRF-WYMLVPIESA-N 0 0 340.379 3.366 10 5 EGBERN CCOC(=O)CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000118001709 1293228080 /nfs/dbraw/zinc/22/80/80/1293228080.db2.gz CNPWEQGVPRFLJP-UHFFFAOYSA-N 0 0 326.780 3.166 10 5 EGBERN CC(C)OC(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172420336 1294436307 /nfs/dbraw/zinc/43/63/07/1294436307.db2.gz SPHAFLOSYRDEMN-AWEZNQCLSA-N 0 0 326.780 3.164 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nccn1Cc1ccccc1 ZINC000176145282 1294593410 /nfs/dbraw/zinc/59/34/10/1294593410.db2.gz DDMMVUNNFCKOBR-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000869926585 1295541740 /nfs/dbraw/zinc/54/17/40/1295541740.db2.gz KFDAPHOHFZSGNO-OASPWFOLSA-N 0 0 346.280 3.173 10 5 EGBERN CCn1cc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c(C2CC2)n1 ZINC000869942565 1295551177 /nfs/dbraw/zinc/55/11/77/1295551177.db2.gz GVNSZOWXUVJWLU-UHFFFAOYSA-N 0 0 345.355 3.054 10 5 EGBERN Cc1cnc(F)c(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000869999110 1295585765 /nfs/dbraw/zinc/58/57/65/1295585765.db2.gz JUHJPNXVATZLNE-UHFFFAOYSA-N 0 0 334.303 3.063 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1F ZINC000870490723 1295901923 /nfs/dbraw/zinc/90/19/23/1295901923.db2.gz YWKAPFCXQRNYSX-CMPLNLGQSA-N 0 0 332.734 3.327 10 5 EGBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@]12C[C@@H]1CCCC2 ZINC000870538081 1295930564 /nfs/dbraw/zinc/93/05/64/1295930564.db2.gz ZLJYVXJFOCIQFT-BONVTDFDSA-N 0 0 326.755 3.379 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCCC2(C1)OCCO2 ZINC000870630438 1295987366 /nfs/dbraw/zinc/98/73/66/1295987366.db2.gz AJCLILJNWMJLQL-DVFVSVACSA-N 0 0 347.367 3.227 10 5 EGBERN C[C@@H](C(=O)OCc1ccnn1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000870742344 1296058333 /nfs/dbraw/zinc/05/83/33/1296058333.db2.gz YGPKSWXDOCMETR-MRVPVSSYSA-N 0 0 343.261 3.172 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)c(F)c1 ZINC000870827679 1296105864 /nfs/dbraw/zinc/10/58/64/1296105864.db2.gz DOZFTJMDPSJXMW-UHFFFAOYSA-N 0 0 339.710 3.144 10 5 EGBERN Cc1cccc(C2(C(=O)OC3CC(n4cc([N+](=O)[O-])cn4)C3)CC2)c1 ZINC000870829771 1296108109 /nfs/dbraw/zinc/10/81/09/1296108109.db2.gz QDQOSVLOAHHHFI-UHFFFAOYSA-N 0 0 341.367 3.078 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000871199389 1296269950 /nfs/dbraw/zinc/26/99/50/1296269950.db2.gz POCVRQICHUNJLV-DFBGVHRSSA-N 0 0 338.791 3.014 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000871306417 1296335332 /nfs/dbraw/zinc/33/53/32/1296335332.db2.gz IEWCHMPMPUEDKN-RHSMWYFYSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871332702 1296354981 /nfs/dbraw/zinc/35/49/81/1296354981.db2.gz ZHSKLQNPWHNLKZ-INIZCTEOSA-N 0 0 336.363 3.298 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000871337902 1296360078 /nfs/dbraw/zinc/36/00/78/1296360078.db2.gz UTKUZYQQTVJZDC-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC1CC2(CSC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000871502074 1296416868 /nfs/dbraw/zinc/41/68/68/1296416868.db2.gz CFEPDPNHCDBQCY-UHFFFAOYSA-N 0 0 332.425 3.028 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CSC2)C1 ZINC000871507164 1296419187 /nfs/dbraw/zinc/41/91/87/1296419187.db2.gz YJXKWPINWQPHLI-ZDUSSCGKSA-N 0 0 334.441 3.175 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871521630 1296426271 /nfs/dbraw/zinc/42/62/71/1296426271.db2.gz SBMLBOOJXJVPNM-TXEJJXNPSA-N 0 0 338.310 3.234 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871583315 1296441275 /nfs/dbraw/zinc/44/12/75/1296441275.db2.gz OPOXXNWRUUVDII-HNNXBMFYSA-N 0 0 346.427 3.457 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000871583249 1296441700 /nfs/dbraw/zinc/44/17/00/1296441700.db2.gz NDFSBJKFEKPGNA-OBEJXRGXSA-N 0 0 344.411 3.321 10 5 EGBERN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1F)NC(C1CC1)C1CC1 ZINC000871694664 1296485642 /nfs/dbraw/zinc/48/56/42/1296485642.db2.gz QULOZDAKTYKHNI-UHFFFAOYSA-N 0 0 342.754 3.071 10 5 EGBERN C[C@H](SCc1cn(C[C@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000871715906 1296497632 /nfs/dbraw/zinc/49/76/32/1296497632.db2.gz HWRUOLZYNPUENU-QWHCGFSZSA-N 0 0 348.428 3.217 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000871746557 1296513878 /nfs/dbraw/zinc/51/38/78/1296513878.db2.gz NDFMWQHEVWCOOS-NURSFMCSSA-N 0 0 339.779 3.327 10 5 EGBERN C[C@H](Nc1ccc(N2CCOCC2)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057619 1296705778 /nfs/dbraw/zinc/70/57/78/1296705778.db2.gz ZLOCYZMIGJLDBG-LBPRGKRZSA-N 0 0 346.362 3.139 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000872753487 1297092219 /nfs/dbraw/zinc/09/22/19/1297092219.db2.gz WGNGATRXLXKVDB-YMTOWFKASA-N 0 0 346.305 3.344 10 5 EGBERN CC[C@@H](CCc1cccnc1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000873585443 1297612656 /nfs/dbraw/zinc/61/26/56/1297612656.db2.gz DIVHNFBYYIZOIE-HNNXBMFYSA-N 0 0 344.367 3.323 10 5 EGBERN CC1(C)Oc2ccsc2[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]1O ZINC000585085576 1298025059 /nfs/dbraw/zinc/02/50/59/1298025059.db2.gz BAIFSXNEMLCJCA-DZGCQCFKSA-N 0 0 334.397 3.019 10 5 EGBERN CC[C@H]1C[C@@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000585125455 1298033384 /nfs/dbraw/zinc/03/33/84/1298033384.db2.gz SSXIFMVQGUCUND-WFASDCNBSA-N 0 0 343.383 3.099 10 5 EGBERN Cc1cc(NCc2cn(C)nc2[N+](=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000876872221 1299044494 /nfs/dbraw/zinc/04/44/94/1299044494.db2.gz VMFAQVAGPLKDJF-UHFFFAOYSA-N 0 0 346.387 3.204 10 5 EGBERN Cc1cc(C)c(NCc2cn(C)nc2[N+](=O)[O-])cc1Br ZINC000877424653 1299289765 /nfs/dbraw/zinc/28/97/65/1299289765.db2.gz MMKZFQRNVONALM-UHFFFAOYSA-N 0 0 339.193 3.320 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(Cc2cccs2)CC1 ZINC000881772782 1301716298 /nfs/dbraw/zinc/71/62/98/1301716298.db2.gz YCIAXRZKVMKGJL-UHFFFAOYSA-N 0 0 345.424 3.181 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@H](c2ccccc2)C1 ZINC000881789130 1301722576 /nfs/dbraw/zinc/72/25/76/1301722576.db2.gz RKXVDPRCKUMYLF-KRWDZBQOSA-N 0 0 326.352 3.375 10 5 EGBERN CC(F)(F)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864921 1301744974 /nfs/dbraw/zinc/74/49/74/1301744974.db2.gz GCDRMWXEQINDQM-UHFFFAOYSA-N 0 0 337.120 3.019 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000882110342 1301832760 /nfs/dbraw/zinc/83/27/60/1301832760.db2.gz JIFZQJQOFONVDO-MLGOLLRUSA-N 0 0 336.413 3.264 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC000882204892 1301876347 /nfs/dbraw/zinc/87/63/47/1301876347.db2.gz AASJKRRBAPQXHY-UHFFFAOYSA-N 0 0 344.289 3.145 10 5 EGBERN CC(=O)c1c(NCCOCC(F)(F)C(F)F)cccc1[N+](=O)[O-] ZINC000882267953 1301906345 /nfs/dbraw/zinc/90/63/45/1301906345.db2.gz NRTLMVYOHVKVMF-UHFFFAOYSA-N 0 0 338.257 3.126 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CCCCO2)CC1 ZINC000882430873 1301961668 /nfs/dbraw/zinc/96/16/68/1301961668.db2.gz DSALGFHJHBMSCA-UHFFFAOYSA-N 0 0 338.791 3.424 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000882552598 1302016779 /nfs/dbraw/zinc/01/67/79/1302016779.db2.gz GZEJMESBMQBWAQ-KVNDZABWSA-N 0 0 330.384 3.216 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000882551994 1302017024 /nfs/dbraw/zinc/01/70/24/1302017024.db2.gz ZYCJIOHWABGOPM-ZDUSSCGKSA-N 0 0 332.400 3.090 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000882669859 1302052995 /nfs/dbraw/zinc/05/29/95/1302052995.db2.gz HQRTWQLVJSUBHW-CQSZACIVSA-N 0 0 326.352 3.497 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000883668849 1302543840 /nfs/dbraw/zinc/54/38/40/1302543840.db2.gz NVTBYLXBBHJSCG-MJEQTWJJSA-N 0 0 333.388 3.057 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000883715440 1302562745 /nfs/dbraw/zinc/56/27/45/1302562745.db2.gz KWEGQAPWQCKLES-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(OCCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000885590143 1303194713 /nfs/dbraw/zinc/19/47/13/1303194713.db2.gz PHTFLNPEJHEOHI-PHTAMDTFSA-N 0 0 337.397 3.191 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CSC[C@@H]2C1 ZINC000887183590 1303698908 /nfs/dbraw/zinc/69/89/08/1303698908.db2.gz CBTOHECJXMJRSM-DTORHVGOSA-N 0 0 327.793 3.075 10 5 EGBERN CC(=O)c1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000887404908 1303784719 /nfs/dbraw/zinc/78/47/19/1303784719.db2.gz OYUCHBJRMCAELI-JTQLQIEISA-N 0 0 332.381 3.392 10 5 EGBERN C[C@]12CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887870472 1303961878 /nfs/dbraw/zinc/96/18/78/1303961878.db2.gz OHFIJMDCCKLLOJ-PQIIZBDJSA-N 0 0 344.386 3.337 10 5 EGBERN C/C(=C/C(=O)N[C@@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000890414962 1304780607 /nfs/dbraw/zinc/78/06/07/1304780607.db2.gz KJFDTKPNXKYBQN-BFFYNSAMSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC12CCCC2 ZINC000890415984 1304781073 /nfs/dbraw/zinc/78/10/73/1304781073.db2.gz WXUZPAILVYULRB-DBTPVHCXSA-N 0 0 330.384 3.216 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC=CC[C@H]2C)cc1OC ZINC000890770380 1304877253 /nfs/dbraw/zinc/87/72/53/1304877253.db2.gz DYFIMXDAKYJPER-DGCLKSJQSA-N 0 0 334.372 3.087 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)CC(F)F ZINC000893372043 1305855121 /nfs/dbraw/zinc/85/51/21/1305855121.db2.gz CADYNXLAHZKBJC-UHFFFAOYSA-N 0 0 330.331 3.405 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCSC[C@H]1c1ccccc1 ZINC000893742708 1306059593 /nfs/dbraw/zinc/05/95/93/1306059593.db2.gz RNOBKXRDPBGWON-INIZCTEOSA-N 0 0 343.408 3.310 10 5 EGBERN CC(C)Oc1cc(C(=O)Nc2nn(C)cc2Cl)ccc1[N+](=O)[O-] ZINC000893933139 1306135385 /nfs/dbraw/zinc/13/53/85/1306135385.db2.gz YRPCEJWDIHSOSX-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN CN(Cc1ccns1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000894064014 1306198009 /nfs/dbraw/zinc/19/80/09/1306198009.db2.gz GTJWGDSGYWGHNG-UHFFFAOYSA-N 0 0 337.376 3.127 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)n1 ZINC000894292365 1306325601 /nfs/dbraw/zinc/32/56/01/1306325601.db2.gz GFNKUADLGHMQSX-LRDDRELGSA-N 0 0 328.372 3.035 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC2(CCC2)CO1 ZINC000894530852 1308940383 /nfs/dbraw/zinc/94/03/83/1308940383.db2.gz OCCQNIYVQSNRKV-RRGWEWPQSA-N 0 0 330.384 3.074 10 5 EGBERN O=C(N1CC[C@H]([C@H]2CCCO2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894694404 1309024173 /nfs/dbraw/zinc/02/41/73/1309024173.db2.gz CZKDAGVKOAFQQJ-WMLDXEAASA-N 0 0 344.411 3.044 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000895974502 1309622141 /nfs/dbraw/zinc/62/21/41/1309622141.db2.gz FMZSQOOMQJVWNZ-HNNXBMFYSA-N 0 0 326.356 3.319 10 5 EGBERN CC(C)(Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)CC(F)(F)F ZINC000896144487 1309719295 /nfs/dbraw/zinc/71/92/95/1309719295.db2.gz UENTYOZMANAFBK-UHFFFAOYSA-N 0 0 344.293 3.485 10 5 EGBERN O=C(NCC1=CCOCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897878727 1310503247 /nfs/dbraw/zinc/50/32/47/1310503247.db2.gz BSFCRYUPTUMHJP-UHFFFAOYSA-N 0 0 349.145 3.117 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCc2cccnc21 ZINC000857970387 1328644561 /nfs/dbraw/zinc/64/45/61/1328644561.db2.gz PZSZRMPOKVGBQJ-BYIUCRAPSA-N 0 0 337.379 3.239 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)nc1 ZINC000858042572 1328668602 /nfs/dbraw/zinc/66/86/02/1328668602.db2.gz ZFDFRQJQXTYHMI-CQSZACIVSA-N 0 0 331.347 3.091 10 5 EGBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899467095 1317047649 /nfs/dbraw/zinc/04/76/49/1317047649.db2.gz PPFQWBCVQGAZTB-ZDUSSCGKSA-N 0 0 343.383 3.155 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858270790 1328726878 /nfs/dbraw/zinc/72/68/78/1328726878.db2.gz MXAVNMHNEXHUIX-QWRGUYRKSA-N 0 0 334.401 3.481 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000929909400 1328737371 /nfs/dbraw/zinc/73/73/71/1328737371.db2.gz SVJXCXCJFWJSBY-AWEZNQCLSA-N 0 0 348.790 3.117 10 5 EGBERN C[C@H]1CC2(CC(NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)CO1 ZINC000930160797 1328801056 /nfs/dbraw/zinc/80/10/56/1328801056.db2.gz ZTHCPWAHADNCPP-IEBVAXJPSA-N 0 0 339.779 3.327 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccco1 ZINC000913387192 1319021586 /nfs/dbraw/zinc/02/15/86/1319021586.db2.gz LGPNTLUUJNAGQS-NXEZZACHSA-N 0 0 338.722 3.400 10 5 EGBERN CCn1nncc1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000858650422 1328817628 /nfs/dbraw/zinc/81/76/28/1328817628.db2.gz UDUKTXOKKSUSCQ-UHFFFAOYSA-N 0 0 349.700 3.491 10 5 EGBERN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000915117595 1319425037 /nfs/dbraw/zinc/42/50/37/1319425037.db2.gz ZYLDBGGBNTVYPD-UHFFFAOYSA-N 0 0 342.351 3.148 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000858716053 1328836972 /nfs/dbraw/zinc/83/69/72/1328836972.db2.gz CQTMGTWMGODPMX-SFHVURJKSA-N 0 0 327.384 3.095 10 5 EGBERN CN1C(=O)c2ccccc2/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000916141142 1319606703 /nfs/dbraw/zinc/60/67/03/1319606703.db2.gz BHMDPOQJWIWIHL-JYRVWZFOSA-N 0 0 342.738 3.401 10 5 EGBERN C[C@H](Cc1ccsc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930431943 1328853429 /nfs/dbraw/zinc/85/34/29/1328853429.db2.gz LUUFVDCHYLYCPH-LLVKDONJSA-N 0 0 336.388 3.475 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OCCOC1CCCC1 ZINC000918515656 1319963934 /nfs/dbraw/zinc/96/39/34/1319963934.db2.gz BDFCHOZBLZVWRN-UHFFFAOYSA-N 0 0 325.386 3.189 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000858794835 1328862738 /nfs/dbraw/zinc/86/27/38/1328862738.db2.gz WGTCQHQLQAWMDN-AUWXTCHYSA-N 0 0 330.356 3.022 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000858794421 1328863014 /nfs/dbraw/zinc/86/30/14/1328863014.db2.gz IXXIOIJURWFYNV-SMDDFHAHSA-N 0 0 328.821 3.046 10 5 EGBERN COc1ccc([C@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)cc1F ZINC000858844646 1328873592 /nfs/dbraw/zinc/87/35/92/1328873592.db2.gz UABQXYYOWIHMMP-ZDUSSCGKSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1cc2ncc(C(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000920157521 1322145939 /nfs/dbraw/zinc/14/59/39/1322145939.db2.gz LGBGLGBPKNQDOW-GFCCVEGCSA-N 0 0 340.339 3.172 10 5 EGBERN Cc1cc(C(=O)OCCOCCOc2ccccc2)cc([N+](=O)[O-])c1 ZINC000920904142 1322233739 /nfs/dbraw/zinc/23/37/39/1322233739.db2.gz ACYWJYKYBSNGBP-UHFFFAOYSA-N 0 0 345.351 3.156 10 5 EGBERN O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859552618 1329015284 /nfs/dbraw/zinc/01/52/84/1329015284.db2.gz BAFPSQCTDVNBNR-SWLSCSKDSA-N 0 0 328.368 3.029 10 5 EGBERN Cc1c(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922183401 1322474099 /nfs/dbraw/zinc/47/40/99/1322474099.db2.gz DILPYCZPOMVFGU-CABZTGNLSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000922394839 1322519643 /nfs/dbraw/zinc/51/96/43/1322519643.db2.gz XIXVLYXKOBNQAO-LDYMZIIASA-N 0 0 337.225 3.001 10 5 EGBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000922432566 1322528327 /nfs/dbraw/zinc/52/83/27/1322528327.db2.gz RGTWQZZYHYUJBF-MNOVXSKESA-N 0 0 337.225 3.001 10 5 EGBERN CC(F)(F)CCCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000922662538 1322582832 /nfs/dbraw/zinc/58/28/32/1322582832.db2.gz NFXUXKDAYWNYAC-UHFFFAOYSA-N 0 0 339.298 3.373 10 5 EGBERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000923240588 1322718088 /nfs/dbraw/zinc/71/80/88/1322718088.db2.gz LDKJYOJGGMHXRX-YUTCNCBUSA-N 0 0 335.356 3.097 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc([C@@]23CCO[C@H]2CCCC3)n1 ZINC000923760748 1322803667 /nfs/dbraw/zinc/80/36/67/1322803667.db2.gz MTKWDBJIJBKOHM-YOEHRIQHSA-N 0 0 329.356 3.169 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(C2CC2)no1 ZINC000923882937 1322835223 /nfs/dbraw/zinc/83/52/23/1322835223.db2.gz MEROISIKLJVPDQ-UHFFFAOYSA-N 0 0 349.774 3.363 10 5 EGBERN O=C(C[C@H]1CCCC1(F)F)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000924326482 1322983002 /nfs/dbraw/zinc/98/30/02/1322983002.db2.gz CRSZINHMBOEEGP-LLVKDONJSA-N 0 0 327.283 3.146 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]12C[C@H]1CCCC2 ZINC000924366253 1322999187 /nfs/dbraw/zinc/99/91/87/1322999187.db2.gz KIGNLXCVRKBJAN-QAPCUYQASA-N 0 0 331.416 3.359 10 5 EGBERN C[C@@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859747039 1329069606 /nfs/dbraw/zinc/06/96/06/1329069606.db2.gz ZOVQOKPSBQYXGY-GFCCVEGCSA-N 0 0 330.384 3.275 10 5 EGBERN CCCOC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811997 1329083261 /nfs/dbraw/zinc/08/32/61/1329083261.db2.gz YYTCVULGBNVFNO-NSHDSACASA-N 0 0 331.324 3.247 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459452 1329123191 /nfs/dbraw/zinc/12/31/91/1329123191.db2.gz PGYPKABYWCCRPA-LBPRGKRZSA-N 0 0 330.388 3.224 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H]2COCC[C@@H]21 ZINC000860000655 1329125592 /nfs/dbraw/zinc/12/55/92/1329125592.db2.gz NMHMDHNHICTGEI-KDOFPFPSSA-N 0 0 340.379 3.389 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000931495344 1329130484 /nfs/dbraw/zinc/13/04/84/1329130484.db2.gz JEQIRGLZACMFNP-RHSMWYFYSA-N 0 0 347.415 3.484 10 5 EGBERN Cc1c(COC(=O)[C@@H]2C[C@@]2(C)Br)cccc1[N+](=O)[O-] ZINC000860117672 1329150712 /nfs/dbraw/zinc/15/07/12/1329150712.db2.gz XDRUWUGPSIAXGZ-GXFFZTMASA-N 0 0 328.162 3.120 10 5 EGBERN C[C@@]1(Br)C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000860119976 1329151176 /nfs/dbraw/zinc/15/11/76/1329151176.db2.gz PCQJORXUCCGZKC-JOYOIKCWSA-N 0 0 348.580 3.465 10 5 EGBERN C[C@@]1(Br)C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860119108 1329151573 /nfs/dbraw/zinc/15/15/73/1329151573.db2.gz KDDZOHJLBRMPBB-PRHODGIISA-N 0 0 348.580 3.465 10 5 EGBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000860178237 1329167779 /nfs/dbraw/zinc/16/77/79/1329167779.db2.gz IMKCANHROZUBIJ-STQMWFEESA-N 0 0 346.383 3.354 10 5 EGBERN COCCC1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860244273 1329182139 /nfs/dbraw/zinc/18/21/39/1329182139.db2.gz HERHQLCPUJSNOZ-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)n1[C@H]1CCOC1 ZINC000860253986 1329183337 /nfs/dbraw/zinc/18/33/37/1329183337.db2.gz OBPKHEYMIZLMSU-INIZCTEOSA-N 0 0 344.367 3.332 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H]2CSC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246148 1325095271 /nfs/dbraw/zinc/09/52/71/1325095271.db2.gz CKLFKCBAQPJIKI-KWCYVHTRSA-N 0 0 335.429 3.050 10 5 EGBERN C[S@](=O)(=NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000926014632 1325389350 /nfs/dbraw/zinc/38/93/50/1325389350.db2.gz FYQAUAFXPOONMU-HSZRJFAPSA-N 0 0 338.429 3.485 10 5 EGBERN CC(C)(O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860303022 1329303186 /nfs/dbraw/zinc/30/31/86/1329303186.db2.gz XEWXSNYVKWDUKK-INIZCTEOSA-N 0 0 328.368 3.124 10 5 EGBERN CCCCCN(CCO)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860424825 1329315474 /nfs/dbraw/zinc/31/54/74/1329315474.db2.gz ONQYJSYCXXDAIZ-UHFFFAOYSA-N 0 0 330.384 3.373 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000860648405 1329339857 /nfs/dbraw/zinc/33/98/57/1329339857.db2.gz PSACWBDSMMZZJH-ZAZJYDDPSA-N 0 0 339.413 3.290 10 5 EGBERN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000860997717 1329376636 /nfs/dbraw/zinc/37/66/36/1329376636.db2.gz IIEHSOJHPZSTQM-CQSZACIVSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2ccccn2)CC1 ZINC000927095121 1327859996 /nfs/dbraw/zinc/85/99/96/1327859996.db2.gz NXMUKEVFKMYNTA-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069760 1329385247 /nfs/dbraw/zinc/38/52/47/1329385247.db2.gz WHLCTZFBXWLYLE-LOKDSWTASA-N 0 0 327.768 3.182 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1OC ZINC000927495942 1328043270 /nfs/dbraw/zinc/04/32/70/1328043270.db2.gz YCWGWNZQIPIRIM-YNEHKIRRSA-N 0 0 348.399 3.168 10 5 EGBERN C/C=C\CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000861177473 1329394580 /nfs/dbraw/zinc/39/45/80/1329394580.db2.gz KYYNGUFTFBFTRB-OTDNITJGSA-N 0 0 335.257 3.213 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc(C(F)F)on1 ZINC000928147933 1328217075 /nfs/dbraw/zinc/21/70/75/1328217075.db2.gz UAIUVNTZBHYOAD-UHFFFAOYSA-N 0 0 325.271 3.067 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000929095047 1328503699 /nfs/dbraw/zinc/50/36/99/1328503699.db2.gz LMGJJWAUZAWZHW-SNVBAGLBSA-N 0 0 339.417 3.399 10 5 EGBERN COCC1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000861538394 1329424990 /nfs/dbraw/zinc/42/49/90/1329424990.db2.gz YGMFLKOHDJXYFE-UHFFFAOYSA-N 0 0 328.368 3.295 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862016246 1329455169 /nfs/dbraw/zinc/45/51/69/1329455169.db2.gz FUXRDWZWQRSTHC-UKRRQHHQSA-N 0 0 328.368 3.435 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCCCc2ccccc2)n1 ZINC000862624258 1329499524 /nfs/dbraw/zinc/49/95/24/1329499524.db2.gz ADPMIYFIYZTDKE-UHFFFAOYSA-N 0 0 344.415 3.344 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862716823 1329504914 /nfs/dbraw/zinc/50/49/14/1329504914.db2.gz UGBYKHVOOBDZKM-UHFFFAOYSA-N 0 0 326.780 3.278 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000862807319 1329512272 /nfs/dbraw/zinc/51/22/72/1329512272.db2.gz QRDYUWLOYAYEJW-QGZVFWFLSA-N 0 0 346.408 3.089 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862846164 1329514866 /nfs/dbraw/zinc/51/48/66/1329514866.db2.gz IRBRTDIMXBFLKP-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000862945501 1329518918 /nfs/dbraw/zinc/51/89/18/1329518918.db2.gz ZKXPYUFGIDLNBA-UHFFFAOYSA-N 0 0 348.321 3.300 10 5 EGBERN CN(C)c1cc(F)c(C(=O)NCC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000862949255 1329519686 /nfs/dbraw/zinc/51/96/86/1329519686.db2.gz YFKPLYFVIYYQGH-LBPRGKRZSA-N 0 0 335.379 3.276 10 5 EGBERN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863283845 1329544069 /nfs/dbraw/zinc/54/40/69/1329544069.db2.gz VZRLDHUWZKDSTH-BXKDBHETSA-N 0 0 345.182 3.199 10 5 EGBERN C/C=C\C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339917 1329548388 /nfs/dbraw/zinc/54/83/88/1329548388.db2.gz GSSSACRRRIFNOV-GWQWAINWSA-N 0 0 341.415 3.489 10 5 EGBERN C[C@@H](S[C@@H]1COC(C)(C)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000863355416 1329549520 /nfs/dbraw/zinc/54/95/20/1329549520.db2.gz NMYDZIDFAYLUST-KOLCDFICSA-N 0 0 342.392 3.362 10 5 EGBERN Cc1[nH]nc(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000863599781 1329565259 /nfs/dbraw/zinc/56/52/59/1329565259.db2.gz AUUZIPWWWPDQHV-UHFFFAOYSA-N 0 0 332.335 3.131 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000863846625 1329585398 /nfs/dbraw/zinc/58/53/98/1329585398.db2.gz VVLFOZYLSSCLMJ-UHFFFAOYSA-N 0 0 346.183 3.180 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1ccco1 ZINC000863917757 1329588551 /nfs/dbraw/zinc/58/85/51/1329588551.db2.gz UEWYCLVEAVSRET-HUUCEWRRSA-N 0 0 339.351 3.132 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC2(CSC2)C1 ZINC000864660025 1329635343 /nfs/dbraw/zinc/63/53/43/1329635343.db2.gz BLIPOEFBFRKFQG-UHFFFAOYSA-N 0 0 340.832 3.350 10 5 EGBERN CC(C)CCN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864813046 1329644352 /nfs/dbraw/zinc/64/43/52/1329644352.db2.gz MRDKAEOSTBVTPC-UHFFFAOYSA-N 0 0 343.221 3.404 10 5 EGBERN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000864930753 1329652861 /nfs/dbraw/zinc/65/28/61/1329652861.db2.gz HQRAEPNJLDGVFE-FMTVUPSXSA-N 0 0 348.399 3.140 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OCc2nc(CC3CC3)no2)cc1F ZINC000865368328 1329689359 /nfs/dbraw/zinc/68/93/59/1329689359.db2.gz RJKSRJFWVNHZOO-UHFFFAOYSA-N 0 0 327.699 3.302 10 5 EGBERN Cc1ccc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(Cl)n1 ZINC000865687422 1329729283 /nfs/dbraw/zinc/72/92/83/1329729283.db2.gz DJXKIXVUIRHUQF-UHFFFAOYSA-N 0 0 336.657 3.496 10 5 EGBERN CC1(C)C[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865756011 1329735262 /nfs/dbraw/zinc/73/52/62/1329735262.db2.gz VNYOAPPIFIAQEM-JTQLQIEISA-N 0 0 341.205 3.062 10 5 EGBERN Cc1csc(C2(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])CCC2)n1 ZINC000865897591 1329750208 /nfs/dbraw/zinc/75/02/08/1329750208.db2.gz UCQVFQGYDAUOGT-UHFFFAOYSA-N 0 0 349.387 3.237 10 5 EGBERN CC(C)[C@H](C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866008662 1329758818 /nfs/dbraw/zinc/75/88/18/1329758818.db2.gz IYKAOAIJRNEKHX-SNVBAGLBSA-N 0 0 343.221 3.308 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866008661 1329758786 /nfs/dbraw/zinc/75/87/86/1329758786.db2.gz IYKAOAIJRNEKHX-JTQLQIEISA-N 0 0 343.221 3.308 10 5 EGBERN CCC[C@H](O)CCCSc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000866034292 1330057927 /nfs/dbraw/zinc/05/79/27/1330057927.db2.gz WAIAUPTXGMKRJX-QMMMGPOBSA-N 0 0 341.355 3.380 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCc2cccc(NC(C)=O)c2C1 ZINC000866040341 1330058339 /nfs/dbraw/zinc/05/83/39/1330058339.db2.gz QZTLEOBCBBUVJL-UHFFFAOYSA-N 0 0 341.367 3.125 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cccc3c2CCOC3)c1 ZINC000866092342 1330064867 /nfs/dbraw/zinc/06/48/67/1330064867.db2.gz WFMWOWQNESFKHZ-UHFFFAOYSA-N 0 0 332.331 3.427 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CC4(CO3)CCOCC4)c2c1 ZINC000866174455 1330073586 /nfs/dbraw/zinc/07/35/86/1330073586.db2.gz LDTMELUIJNBIOQ-HNNXBMFYSA-N 0 0 343.383 3.141 10 5 EGBERN COc1cc(NC[C@@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1OC ZINC000866175435 1330073651 /nfs/dbraw/zinc/07/36/51/1330073651.db2.gz RJNZZVVSBUOPGI-LBPRGKRZSA-N 0 0 336.388 3.231 10 5 EGBERN CCn1cnc2c1nc(Cl)nc2NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866182453 1330074723 /nfs/dbraw/zinc/07/47/23/1330074723.db2.gz YOEAWPFIKCFDBH-UHFFFAOYSA-N 0 0 346.778 3.328 10 5 EGBERN Cc1cncc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000866279259 1330089917 /nfs/dbraw/zinc/08/99/17/1330089917.db2.gz NIKUGKDGWVAYBM-LBPRGKRZSA-N 0 0 325.328 3.176 10 5 EGBERN Cc1cncc([C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000866279270 1330089961 /nfs/dbraw/zinc/08/99/61/1330089961.db2.gz NNPUURNKDKXJJU-GFCCVEGCSA-N 0 0 329.385 3.349 10 5 EGBERN Cc1c(Cl)ccc2c1CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000866285474 1330090787 /nfs/dbraw/zinc/09/07/87/1330090787.db2.gz ILSOKXSMZBVCJW-UHFFFAOYSA-N 0 0 347.802 3.194 10 5 EGBERN CC(C)[C@@H]1CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867228774 1330186365 /nfs/dbraw/zinc/18/63/65/1330186365.db2.gz BBQCQAYSZBUSDN-LBPRGKRZSA-N 0 0 341.205 3.157 10 5 EGBERN COc1ccc(CNC(=O)NCC(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000868081324 1330246877 /nfs/dbraw/zinc/24/68/77/1330246877.db2.gz TYDYXPLKSKSKQS-UHFFFAOYSA-N 0 0 345.346 3.084 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000868340262 1330272465 /nfs/dbraw/zinc/27/24/65/1330272465.db2.gz CSRISJQIFRKDQY-CHWSQXEVSA-N 0 0 337.445 3.407 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)CO2 ZINC000868410060 1330278127 /nfs/dbraw/zinc/27/81/27/1330278127.db2.gz IHVPTTYLHCIVSC-OAHLLOKOSA-N 0 0 341.367 3.145 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]1C(F)F ZINC000868599582 1330298657 /nfs/dbraw/zinc/29/86/57/1330298657.db2.gz CGKDCZZPBDRFOI-AWEZNQCLSA-N 0 0 339.342 3.065 10 5 EGBERN Cc1ccc(CNC(=O)N2C[C@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000869054352 1330403829 /nfs/dbraw/zinc/40/38/29/1330403829.db2.gz KGMNFYKVPZNFSG-AWEZNQCLSA-N 0 0 347.415 3.146 10 5 EGBERN Cc1ccc(CNC(=O)N(C)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000869053706 1330404163 /nfs/dbraw/zinc/40/41/63/1330404163.db2.gz RJDCMICNUWJSCV-UHFFFAOYSA-N 0 0 345.374 3.426 10 5 EGBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000869433440 1330492052 /nfs/dbraw/zinc/49/20/52/1330492052.db2.gz CTDYKEFHLQMOOS-CYBMUJFWSA-N 0 0 339.319 3.011 10 5 EGBERN COc1cccc(C(=O)OCc2c(C)cc(C)nc2C)c1[N+](=O)[O-] ZINC000869492717 1330510686 /nfs/dbraw/zinc/51/06/86/1330510686.db2.gz SSWDEQUKJIBSHU-UHFFFAOYSA-N 0 0 330.340 3.281 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCSC1 ZINC000869611724 1330533432 /nfs/dbraw/zinc/53/34/32/1330533432.db2.gz FKMHCICTPRRLBC-ZDUSSCGKSA-N 0 0 337.445 3.046 10 5 EGBERN COc1cc(COC(=O)C(C)(C)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000869713811 1330551433 /nfs/dbraw/zinc/55/14/33/1330551433.db2.gz KEPXRUXAIKPXDV-HNNXBMFYSA-N 0 0 337.372 3.242 10 5 EGBERN O=C(OCc1ccnc(F)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810189 1330568678 /nfs/dbraw/zinc/56/86/78/1330568678.db2.gz FQPYXOLNGOGOMU-UHFFFAOYSA-N 0 0 330.315 3.294 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)n1 ZINC001125961729 1372900164 /nfs/dbraw/zinc/90/01/64/1372900164.db2.gz BGHVQPQQZRVKSF-JTQLQIEISA-N 0 0 333.310 3.347 10 5 EGBERN CN(CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001183834447 1387356056 /nfs/dbraw/zinc/35/60/56/1387356056.db2.gz BVPMJAJKSPAGQF-UHFFFAOYSA-N 0 0 336.351 3.218 10 5 EGBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001183879202 1387365523 /nfs/dbraw/zinc/36/55/23/1387365523.db2.gz SCQGCNSRTSIUPO-BNOWGMLFSA-N 0 0 326.356 3.360 10 5 EGBERN Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001323533326 1387383330 /nfs/dbraw/zinc/38/33/30/1387383330.db2.gz DHGZJPURLAXMMD-UHFFFAOYSA-N 0 0 348.790 3.046 10 5 EGBERN CN(CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC001184673184 1387506788 /nfs/dbraw/zinc/50/67/88/1387506788.db2.gz JDAAQRRBXQGAJA-UHFFFAOYSA-N 0 0 340.358 3.252 10 5 EGBERN C[C@H]1CCCC[C@H]1N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001184775246 1387535227 /nfs/dbraw/zinc/53/52/27/1387535227.db2.gz JDQKEUQEMQUWMN-GXTWGEPZSA-N 0 0 329.400 3.462 10 5 EGBERN Cn1c2ccccc2c(N[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1=O ZINC001186220461 1387899822 /nfs/dbraw/zinc/89/98/22/1387899822.db2.gz DPLVNCIEGQAPPB-LSDHHAIUSA-N 0 0 335.363 3.415 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1ccc2c(c1)OC(F)(F)O2 ZINC001192963965 1367912157 /nfs/dbraw/zinc/91/21/57/1367912157.db2.gz GFEFTMXXLSFMBG-UHFFFAOYSA-N 0 0 334.278 3.479 10 5 EGBERN COc1ccccc1C[C@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001186315171 1387920568 /nfs/dbraw/zinc/92/05/68/1387920568.db2.gz CEJLPLSQDUPEAU-NSHDSACASA-N 0 0 334.347 3.278 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1Nc1cc2n(n1)CCCC2 ZINC001186389035 1387932492 /nfs/dbraw/zinc/93/24/92/1387932492.db2.gz ZWXQJDOCMPPXMJ-UHFFFAOYSA-N 0 0 343.774 3.495 10 5 EGBERN O=[N+]([O-])c1ccc2oc(CN3CCC=C(c4cccnc4)C3)nc2c1 ZINC001194771328 1368319444 /nfs/dbraw/zinc/31/94/44/1368319444.db2.gz FRNYUIWGOGRMTM-UHFFFAOYSA-N 0 0 336.351 3.420 10 5 EGBERN CS(=O)(=O)c1cccc(CNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001186453266 1387946557 /nfs/dbraw/zinc/94/65/57/1387946557.db2.gz ZPYZLURFGCBRIX-UHFFFAOYSA-N 0 0 340.788 3.264 10 5 EGBERN C[C@](CO)(NCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001196908094 1368711500 /nfs/dbraw/zinc/71/15/00/1368711500.db2.gz PJDKGKCPFQSDLV-GOSISDBHSA-N 0 0 326.352 3.338 10 5 EGBERN C[C@@]1(C(F)(F)F)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC001197095935 1368744143 /nfs/dbraw/zinc/74/41/43/1368744143.db2.gz NUXQAGPOJBUIDP-LBPRGKRZSA-N 0 0 338.713 3.401 10 5 EGBERN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135112 1368751399 /nfs/dbraw/zinc/75/13/99/1368751399.db2.gz GSSKYMVENXFEBN-BZNIZROVSA-N 0 0 349.337 3.361 10 5 EGBERN O=C1CC[C@@H](c2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)N1 ZINC001186714313 1387999957 /nfs/dbraw/zinc/99/99/57/1387999957.db2.gz PJDKWTSJWGDSJQ-ZDUSSCGKSA-N 0 0 349.350 3.233 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCc2cccnc21 ZINC001186865174 1388017704 /nfs/dbraw/zinc/01/77/04/1388017704.db2.gz XDHHMLQZSQCZBF-ZDUSSCGKSA-N 0 0 341.367 3.227 10 5 EGBERN Cc1cc(N[C@H](C)COCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186930564 1388030498 /nfs/dbraw/zinc/03/04/98/1388030498.db2.gz LXINYCNWBIHKCR-CYBMUJFWSA-N 0 0 342.399 3.009 10 5 EGBERN COC(=O)c1coc(CNc2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001187190666 1388067678 /nfs/dbraw/zinc/06/76/78/1388067678.db2.gz UNVZZIHVMQYQNO-UHFFFAOYSA-N 0 0 327.296 3.135 10 5 EGBERN Cc1cc(NC[C@@H]2c3ccccc3C(=O)N2C)c(F)cc1[N+](=O)[O-] ZINC001187305340 1388091763 /nfs/dbraw/zinc/09/17/63/1388091763.db2.gz AWJGNSXGJAPARW-MRXNPFEDSA-N 0 0 329.331 3.281 10 5 EGBERN COCC1(CCNc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001326014067 1388101159 /nfs/dbraw/zinc/10/11/59/1388101159.db2.gz VUBWYXYDJINDJR-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)CC(F)F ZINC001326013305 1388101176 /nfs/dbraw/zinc/10/11/76/1388101176.db2.gz NMRJGXIHRYQPKA-SECBINFHSA-N 0 0 329.303 3.255 10 5 EGBERN COc1cc(N2CC[C@@](CO)(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001118595480 1371204409 /nfs/dbraw/zinc/20/44/09/1371204409.db2.gz WUXKLVCUQNCUMD-OAHLLOKOSA-N 0 0 328.796 3.102 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001187593654 1388128912 /nfs/dbraw/zinc/12/89/12/1388128912.db2.gz MVGSVSCHCDVQQJ-SUMWQHHRSA-N 0 0 345.786 3.048 10 5 EGBERN O=C(c1cnc(CC2CC2)s1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119529763 1371362892 /nfs/dbraw/zinc/36/28/92/1371362892.db2.gz ITESCKGTTMNGHF-UHFFFAOYSA-N 0 0 329.381 3.160 10 5 EGBERN CCC(=O)c1ccc(NC[C@@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001187625478 1388132974 /nfs/dbraw/zinc/13/29/74/1388132974.db2.gz XNUPMBSGRBPLPD-HNNXBMFYSA-N 0 0 346.358 3.342 10 5 EGBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC001187654661 1388138082 /nfs/dbraw/zinc/13/80/82/1388138082.db2.gz MTBLEELPMPQLMK-QMTHXVAHSA-N 0 0 339.367 3.401 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCC(F)(F)C3(O)CCCCC3)nc2c1 ZINC001187870545 1388181316 /nfs/dbraw/zinc/18/13/16/1388181316.db2.gz COJGDQCNKWBGGQ-UHFFFAOYSA-N 0 0 340.330 3.214 10 5 EGBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001187920935 1388190048 /nfs/dbraw/zinc/19/00/48/1388190048.db2.gz LPRULYBGJHQDPI-GXTWGEPZSA-N 0 0 329.356 3.287 10 5 EGBERN CCOc1ccc(C(=O)O[C@H](C)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001123108688 1372381970 /nfs/dbraw/zinc/38/19/70/1372381970.db2.gz GCGKXXXQNQTDLN-SNVBAGLBSA-N 0 0 334.303 3.446 10 5 EGBERN Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001123318725 1372423843 /nfs/dbraw/zinc/42/38/43/1372423843.db2.gz SEDCWTOTUOXLLZ-HZPDHXFCSA-N 0 0 333.388 3.469 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(C(F)F)CCCC1 ZINC001123371123 1372444977 /nfs/dbraw/zinc/44/49/77/1372444977.db2.gz YYPVEXUTIJNGHF-UHFFFAOYSA-N 0 0 343.282 3.097 10 5 EGBERN CC1(C)C[C@H](COC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001123374452 1372445984 /nfs/dbraw/zinc/44/59/84/1372445984.db2.gz BWUOWJZLFNXLJP-DAXOMENPSA-N 0 0 333.384 3.447 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCOCC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC001123747405 1372576083 /nfs/dbraw/zinc/57/60/83/1372576083.db2.gz SQHBZJAAFGNUNM-XJKSGUPXSA-N 0 0 347.415 3.304 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=c2ccccn2Cc2ccccc2)c1 ZINC001124082230 1372669984 /nfs/dbraw/zinc/66/99/84/1372669984.db2.gz KUEZJRZQNUSXGW-UHFFFAOYSA-N 0 0 347.374 3.494 10 5 EGBERN O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124367329 1372695270 /nfs/dbraw/zinc/69/52/70/1372695270.db2.gz CVGXPCNSUWQWKD-UHFFFAOYSA-N 0 0 344.277 3.311 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001124403273 1372699176 /nfs/dbraw/zinc/69/91/76/1372699176.db2.gz IQICSINXFSWJKA-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])C1[C@H]2CCCCCC[C@H]12 ZINC001124500226 1372707665 /nfs/dbraw/zinc/70/76/65/1372707665.db2.gz NEAUXASPCICSHX-KBPBESRZSA-N 0 0 331.416 3.339 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2F)C2CC2)n1 ZINC001124548507 1372710441 /nfs/dbraw/zinc/71/04/41/1372710441.db2.gz QAIYECRETBONET-UHFFFAOYSA-N 0 0 329.331 3.242 10 5 EGBERN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001124857043 1372735980 /nfs/dbraw/zinc/73/59/80/1372735980.db2.gz IWIWFGPZJMOKMN-IIYDPXPESA-N 0 0 345.399 3.125 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001124878433 1372737352 /nfs/dbraw/zinc/73/73/52/1372737352.db2.gz NSWYBBZJUWZVQV-UHFFFAOYSA-N 0 0 332.331 3.371 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001124910245 1372738796 /nfs/dbraw/zinc/73/87/96/1372738796.db2.gz NJLLTJRQLJDANE-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN CC(=O)N(CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001124928708 1372740578 /nfs/dbraw/zinc/74/05/78/1372740578.db2.gz LSUCKUDPBOYTRD-CYBMUJFWSA-N 0 0 342.351 3.252 10 5 EGBERN COc1ccccc1C(F)(F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001125338190 1372771484 /nfs/dbraw/zinc/77/14/84/1372771484.db2.gz RRYMYYKHVVKZCF-UHFFFAOYSA-N 0 0 340.257 3.473 10 5 EGBERN COC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC001125899617 1372885146 /nfs/dbraw/zinc/88/51/46/1372885146.db2.gz ILCSPDFZNZXOTD-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccn1 ZINC001126317921 1372956744 /nfs/dbraw/zinc/95/67/44/1372956744.db2.gz ISFUEXDQDWAZCP-JTQLQIEISA-N 0 0 335.747 3.358 10 5 EGBERN COC(=O)CN(C(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC001126358566 1372960158 /nfs/dbraw/zinc/96/01/58/1372960158.db2.gz YJCUZBAPVLKACM-UHFFFAOYSA-N 0 0 342.351 3.031 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001126623420 1372985683 /nfs/dbraw/zinc/98/56/83/1372985683.db2.gz UJZHOYQFRSBQNT-NSHDSACASA-N 0 0 346.387 3.383 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(N2CCCC2)cc1 ZINC001126804951 1373031119 /nfs/dbraw/zinc/03/11/19/1373031119.db2.gz IQJMXKXMMXZTAJ-UHFFFAOYSA-N 0 0 326.352 3.343 10 5 EGBERN CCO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1)C1CCCC1 ZINC001126834842 1373038119 /nfs/dbraw/zinc/03/81/19/1373038119.db2.gz OIALOFYLPRHRMX-INIZCTEOSA-N 0 0 335.404 3.013 10 5 EGBERN Cn1cnc2cccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c21 ZINC001126919625 1373051432 /nfs/dbraw/zinc/05/14/32/1373051432.db2.gz RKVFLNYIVFJJGH-UHFFFAOYSA-N 0 0 338.367 3.147 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)CSC(F)(F)F)cc1[N+](=O)[O-] ZINC001127387035 1373122406 /nfs/dbraw/zinc/12/24/06/1373122406.db2.gz YUAAEZKRQXOZOS-SSDOTTSWSA-N 0 0 338.307 3.431 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2cccnc21 ZINC001127672654 1373157280 /nfs/dbraw/zinc/15/72/80/1373157280.db2.gz VUPFVOQCHZZRQD-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC001127685686 1373162091 /nfs/dbraw/zinc/16/20/91/1373162091.db2.gz BKDXQENOFSNMTB-PTEHBNRSSA-N 0 0 343.383 3.016 10 5 EGBERN CC[C@@H](OC(=O)c1ccc2nnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC001127732680 1373170585 /nfs/dbraw/zinc/17/05/85/1373170585.db2.gz GVMPODFHOIVLHS-MRXNPFEDSA-N 0 0 340.339 3.185 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc([N+](=O)[O-])s1 ZINC001127866236 1373192583 /nfs/dbraw/zinc/19/25/83/1373192583.db2.gz VFZAKUDTVCKJFN-UHFFFAOYSA-N 0 0 344.308 3.365 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)n1 ZINC001127894261 1373197080 /nfs/dbraw/zinc/19/70/80/1373197080.db2.gz GHDFEPJKOMYYCT-NSHDSACASA-N 0 0 337.335 3.019 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nn(C)c3ccccc23)c1C ZINC001127953543 1373204054 /nfs/dbraw/zinc/20/40/54/1373204054.db2.gz HAAXNRGYQXYEOO-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nccn1-c1ccccc1 ZINC001127961332 1373204636 /nfs/dbraw/zinc/20/46/36/1373204636.db2.gz MVEIFSUBZCFGEC-UHFFFAOYSA-N 0 0 340.314 3.101 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC001128305347 1373249812 /nfs/dbraw/zinc/24/98/12/1373249812.db2.gz MNPACSAOTXVGEU-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(OC(F)F)nc1 ZINC001128409718 1373263428 /nfs/dbraw/zinc/26/34/28/1373263428.db2.gz KNOLTFIIWGRHTE-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN Cc1cccc(C(=O)NCc2ccc([Si](C)(C)C)cc2)c1[N+](=O)[O-] ZINC001128606675 1373297085 /nfs/dbraw/zinc/29/70/85/1373297085.db2.gz IVJWFTGIHPEXBH-UHFFFAOYSA-N 0 0 342.471 3.378 10 5 EGBERN CCc1coc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC001128790655 1373311967 /nfs/dbraw/zinc/31/19/67/1373311967.db2.gz ZFLWDDOXXUTYDT-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN CC(C)CCSc1ccc(C(=O)Nc2cnnn2C)cc1[N+](=O)[O-] ZINC001128886025 1373320831 /nfs/dbraw/zinc/32/08/31/1373320831.db2.gz FOIHRHFEFAGHKZ-UHFFFAOYSA-N 0 0 349.416 3.114 10 5 EGBERN C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc2c1OCO2 ZINC001128988580 1373331896 /nfs/dbraw/zinc/33/18/96/1373331896.db2.gz JMAJGKUOGYOHEG-NSHDSACASA-N 0 0 345.307 3.007 10 5 EGBERN CCCCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H]1CCCC[C@H]1OC ZINC001129012700 1373335221 /nfs/dbraw/zinc/33/52/21/1373335221.db2.gz OKPFYCNNJXUEJM-IAGOWNOFSA-N 0 0 349.431 3.498 10 5 EGBERN Cc1c(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cccc1[N+](=O)[O-] ZINC001129109429 1373346830 /nfs/dbraw/zinc/34/68/30/1373346830.db2.gz YVXVJYKXNIQMOY-UHFFFAOYSA-N 0 0 345.286 3.153 10 5 EGBERN O=C(c1ccc2cnccc2c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129107408 1373346907 /nfs/dbraw/zinc/34/69/07/1373346907.db2.gz HLYXTRGYPKMPKI-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN CCOC(=O)c1cc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC001129134981 1373350175 /nfs/dbraw/zinc/35/01/75/1373350175.db2.gz JKLVXGWGOXJDFQ-UHFFFAOYSA-N 0 0 346.339 3.073 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@H]2CC3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001129149370 1373353138 /nfs/dbraw/zinc/35/31/38/1373353138.db2.gz CYEJLRZTBGJQLN-ZEPSKSRBSA-N 0 0 346.383 3.080 10 5 EGBERN COc1ccc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cc1F ZINC001129214494 1373361861 /nfs/dbraw/zinc/36/18/61/1373361861.db2.gz MJARLWHYRBKCKU-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN O=C(Nc1ccccc1OCCF)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129260914 1373365967 /nfs/dbraw/zinc/36/59/67/1373365967.db2.gz WCGOZNMGTMTKRB-UHFFFAOYSA-N 0 0 340.257 3.474 10 5 EGBERN Cc1ccoc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001129524521 1373394033 /nfs/dbraw/zinc/39/40/33/1373394033.db2.gz SBCTYYAGOWIBOS-UHFFFAOYSA-N 0 0 328.246 3.445 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001129775044 1373422353 /nfs/dbraw/zinc/42/23/53/1373422353.db2.gz PRCSKEKRJATWMM-UONOGXRCSA-N 0 0 335.404 3.010 10 5 EGBERN C[C@H](c1ccccc1)n1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC001130222876 1373475760 /nfs/dbraw/zinc/47/57/60/1373475760.db2.gz MAXBZZVJMLLIMG-GFCCVEGCSA-N 0 0 337.339 3.048 10 5 EGBERN CCOc1ccc(C)nc1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001130246279 1373478157 /nfs/dbraw/zinc/47/81/57/1373478157.db2.gz CDFOWEHEQZVRRH-UHFFFAOYSA-N 0 0 330.340 3.362 10 5 EGBERN Cc1cccnc1/C=C/C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130755726 1373588281 /nfs/dbraw/zinc/58/82/81/1373588281.db2.gz AGWMXPBQQRXXCP-VOTSOKGWSA-N 0 0 334.335 3.498 10 5 EGBERN Cc1ccc(OCC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC001130846619 1373598189 /nfs/dbraw/zinc/59/81/89/1373598189.db2.gz CLPXTMNJMIABQN-UHFFFAOYSA-N 0 0 346.295 3.104 10 5 EGBERN COC(=O)C1=CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001131194407 1373660222 /nfs/dbraw/zinc/66/02/22/1373660222.db2.gz BOUCSZJINCLRPK-OAHLLOKOSA-N 0 0 346.386 3.380 10 5 EGBERN O=C(NCCc1ccoc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001131263837 1373672060 /nfs/dbraw/zinc/67/20/60/1373672060.db2.gz UUFNZNWZGZLLGS-UHFFFAOYSA-N 0 0 337.335 3.222 10 5 EGBERN Cc1cn2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2n1 ZINC001131393769 1373687993 /nfs/dbraw/zinc/68/79/93/1373687993.db2.gz LTBSYKVUSIHBDQ-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ncco1 ZINC001131490665 1373709654 /nfs/dbraw/zinc/70/96/54/1373709654.db2.gz VLWNUSBDFOKSMS-UHFFFAOYSA-N 0 0 339.307 3.267 10 5 EGBERN Cc1ccccc1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001131537448 1373716662 /nfs/dbraw/zinc/71/66/62/1373716662.db2.gz KDOGSDXVPNEEOK-UHFFFAOYSA-N 0 0 336.351 3.366 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(SC(F)(F)F)c1 ZINC001132081205 1375136165 /nfs/dbraw/zinc/13/61/65/1375136165.db2.gz RJJPSZAIBUZVCS-UHFFFAOYSA-N 0 0 346.290 3.042 10 5 EGBERN COc1cccc2[nH]c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC001133267743 1375883501 /nfs/dbraw/zinc/88/35/01/1375883501.db2.gz MCHZRLXQDMGOEY-UHFFFAOYSA-N 0 0 346.730 3.385 10 5 EGBERN C[C@@H](NC(=O)c1ncc2cc(Cl)ccn21)c1ccccc1[N+](=O)[O-] ZINC001133344162 1375933864 /nfs/dbraw/zinc/93/38/64/1375933864.db2.gz QCTFLDJPDNYHFE-SNVBAGLBSA-N 0 0 344.758 3.387 10 5 EGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001133377550 1375957638 /nfs/dbraw/zinc/95/76/38/1375957638.db2.gz HJMRBTOMCXBEKH-INIZCTEOSA-N 0 0 348.305 3.167 10 5 EGBERN CC(C)c1nsc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001133406303 1375991671 /nfs/dbraw/zinc/99/16/71/1375991671.db2.gz OKXOQTZLHKNAIW-UHFFFAOYSA-N 0 0 345.384 3.232 10 5 EGBERN CCc1ccccc1OCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133420745 1375998610 /nfs/dbraw/zinc/99/86/10/1375998610.db2.gz NTKYLYRQTFAFGX-CYBMUJFWSA-N 0 0 328.368 3.413 10 5 EGBERN Cc1ccc(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001133517425 1376050772 /nfs/dbraw/zinc/05/07/72/1376050772.db2.gz UXQFMURYVZCYSH-GFCCVEGCSA-N 0 0 326.352 3.157 10 5 EGBERN O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134310506 1376467517 /nfs/dbraw/zinc/46/75/17/1376467517.db2.gz ICBBQKWZQBEQLU-ZIAGYGMSSA-N 0 0 346.408 3.497 10 5 EGBERN Cc1cc(C(=O)NCC[C@@H]2OCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001134316472 1376471330 /nfs/dbraw/zinc/47/13/30/1376471330.db2.gz RLXNHXZBFLJNBR-SFHVURJKSA-N 0 0 340.379 3.337 10 5 EGBERN CS(=O)(=O)c1cccc(CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC001189069046 1388451665 /nfs/dbraw/zinc/45/16/65/1388451665.db2.gz DGMVQVFCACUDDS-UHFFFAOYSA-N 0 0 337.422 3.432 10 5 EGBERN Cc1cc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001134962794 1376812552 /nfs/dbraw/zinc/81/25/52/1376812552.db2.gz HGCRUWXKQURTQQ-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)o1 ZINC001134963202 1376813117 /nfs/dbraw/zinc/81/31/17/1376813117.db2.gz YNHSCJFGDKRDAU-UHFFFAOYSA-N 0 0 340.339 3.457 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)F)nc1 ZINC001135129639 1376921914 /nfs/dbraw/zinc/92/19/14/1376921914.db2.gz HYSGCBGQVUEUNE-UHFFFAOYSA-N 0 0 336.298 3.246 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cnn2cccnc12 ZINC001135226704 1376987912 /nfs/dbraw/zinc/98/79/12/1376987912.db2.gz VWUGAHYUKZJVJD-UHFFFAOYSA-N 0 0 333.307 3.043 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cn3ccccc3n2)cc1Cl ZINC001135468290 1377107566 /nfs/dbraw/zinc/10/75/66/1377107566.db2.gz QNMHWTBZURITDW-UHFFFAOYSA-N 0 0 344.758 3.134 10 5 EGBERN COc1c(F)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(N)c1F ZINC001135504762 1377121769 /nfs/dbraw/zinc/12/17/69/1377121769.db2.gz RDOJUJZBIUFIJV-UHFFFAOYSA-N 0 0 337.282 3.025 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccccc1F ZINC001135527356 1377129771 /nfs/dbraw/zinc/12/97/71/1377129771.db2.gz XXGZRICJMUVGHM-UHFFFAOYSA-N 0 0 336.750 3.289 10 5 EGBERN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)C2 ZINC001266588528 1377339177 /nfs/dbraw/zinc/33/91/77/1377339177.db2.gz ZZOIEQAELVABBZ-UHFFFAOYSA-N 0 0 344.342 3.249 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001266633830 1377353630 /nfs/dbraw/zinc/35/36/30/1377353630.db2.gz XKIXYCIZVUTHFK-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC001136340493 1377379554 /nfs/dbraw/zinc/37/95/54/1377379554.db2.gz SCHFSQGMGWNGMP-UHFFFAOYSA-N 0 0 334.335 3.491 10 5 EGBERN CC(C)(NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001136779504 1377422435 /nfs/dbraw/zinc/42/24/35/1377422435.db2.gz VLBVJFXWMVKTTA-UHFFFAOYSA-N 0 0 334.322 3.467 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001137076090 1377473589 /nfs/dbraw/zinc/47/35/89/1377473589.db2.gz WLMGIAJWKATJAN-NWDGAFQWSA-N 0 0 342.367 3.434 10 5 EGBERN CC(C)[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCS1 ZINC001137081926 1377475127 /nfs/dbraw/zinc/47/51/27/1377475127.db2.gz MJQAHGBZXHRJDG-GFCCVEGCSA-N 0 0 343.836 3.044 10 5 EGBERN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC001137381034 1377536890 /nfs/dbraw/zinc/53/68/90/1377536890.db2.gz HDWDTCAMBXRHQH-UHFFFAOYSA-N 0 0 335.747 3.116 10 5 EGBERN C[C@H]1CCc2[nH]nc(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c2C1 ZINC001137530415 1377561867 /nfs/dbraw/zinc/56/18/67/1377561867.db2.gz DSLCBMCSQRMCFY-VIFPVBQESA-N 0 0 348.790 3.026 10 5 EGBERN CCNc1cc(C)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001138191117 1377689072 /nfs/dbraw/zinc/68/90/72/1377689072.db2.gz VLLWRSWJBWRVGX-MRXNPFEDSA-N 0 0 329.356 3.007 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001275634216 1378148957 /nfs/dbraw/zinc/14/89/57/1378148957.db2.gz BHBGBQTUPXEFRI-NSHDSACASA-N 0 0 328.324 3.124 10 5 EGBERN CC(F)(F)c1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141013914 1378208599 /nfs/dbraw/zinc/20/85/99/1378208599.db2.gz VXBUARJLYLHVFD-UHFFFAOYSA-N 0 0 330.678 3.335 10 5 EGBERN COc1c(OC(=O)c2n[nH]c(C)c2[N+](=O)[O-])ccc2ccccc21 ZINC001141014033 1378208624 /nfs/dbraw/zinc/20/86/24/1378208624.db2.gz XDJRPJOGXDHVBL-UHFFFAOYSA-N 0 0 327.296 3.007 10 5 EGBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]1c1ccsc1 ZINC001141752378 1378371130 /nfs/dbraw/zinc/37/11/30/1378371130.db2.gz IXPCZCFZHQODIP-QMMMGPOBSA-N 0 0 326.765 3.010 10 5 EGBERN COc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1SC ZINC001141984584 1378400947 /nfs/dbraw/zinc/40/09/47/1378400947.db2.gz QZTQJIXJWVIHSU-UHFFFAOYSA-N 0 0 333.369 3.160 10 5 EGBERN CC(C)(NC(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC001327769955 1388595187 /nfs/dbraw/zinc/59/51/87/1388595187.db2.gz IYVJCXVNBYTZAE-YHPBZONMSA-N 0 0 339.342 3.173 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cnn2ccccc12 ZINC001149492377 1379389862 /nfs/dbraw/zinc/38/98/62/1379389862.db2.gz HEZBBYTYHWFLGM-UHFFFAOYSA-N 0 0 330.731 3.077 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001150519966 1379561338 /nfs/dbraw/zinc/56/13/38/1379561338.db2.gz MPWDDPFWAQEESU-LLVKDONJSA-N 0 0 348.786 3.244 10 5 EGBERN O=Cc1ccc(/C=C\C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001150827203 1379619061 /nfs/dbraw/zinc/61/90/61/1379619061.db2.gz JFPIEEHYPLKUPI-YVMONPNESA-N 0 0 344.754 3.390 10 5 EGBERN CC[C@@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001151125026 1379664085 /nfs/dbraw/zinc/66/40/85/1379664085.db2.gz LOBPONOHZFVVDM-JGFGOQIWSA-N 0 0 342.399 3.251 10 5 EGBERN COc1ccc(NC(=O)c2cc(C)nc(NC3CC3)c2)cc1[N+](=O)[O-] ZINC001152078721 1379859414 /nfs/dbraw/zinc/85/94/14/1379859414.db2.gz HAKHANWQMCSOMN-UHFFFAOYSA-N 0 0 342.355 3.133 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H](C(F)F)C3)c2c1 ZINC001328024551 1388647507 /nfs/dbraw/zinc/64/75/07/1388647507.db2.gz SYTAMIPSTKFGKS-SSDOTTSWSA-N 0 0 328.706 3.283 10 5 EGBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328046563 1388652826 /nfs/dbraw/zinc/65/28/26/1388652826.db2.gz NJUYXIBJSSRCMI-FUHWJXTLSA-N 0 0 341.342 3.257 10 5 EGBERN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001155458691 1380456109 /nfs/dbraw/zinc/45/61/09/1380456109.db2.gz RBGCTFYJRRPWPM-DGCLKSJQSA-N 0 0 328.372 3.151 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC001155804581 1380494096 /nfs/dbraw/zinc/49/40/96/1380494096.db2.gz FCGQPCPVPBLSJM-MQMHXKEQSA-N 0 0 329.331 3.113 10 5 EGBERN CC(C)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cn1 ZINC001156364378 1380564790 /nfs/dbraw/zinc/56/47/90/1380564790.db2.gz KZCRLOHQGBCYLG-UHFFFAOYSA-N 0 0 328.372 3.188 10 5 EGBERN COCC1(CCNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001328133560 1388680322 /nfs/dbraw/zinc/68/03/22/1388680322.db2.gz CIYLHQWGKJMULT-XQRVVYSFSA-N 0 0 334.372 3.010 10 5 EGBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nccn2c1 ZINC001158756931 1381384511 /nfs/dbraw/zinc/38/45/11/1381384511.db2.gz UXSWKRUOGVOBOS-UHFFFAOYSA-N 0 0 339.355 3.315 10 5 EGBERN Nc1c(Cl)cc(C(=O)NCC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001158837732 1381425369 /nfs/dbraw/zinc/42/53/69/1381425369.db2.gz WGOOJIXDPXTHPC-QMMMGPOBSA-N 0 0 347.749 3.386 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc2c[nH]nc21 ZINC001159018149 1381512097 /nfs/dbraw/zinc/51/20/97/1381512097.db2.gz PYWKYYWBFDKYKH-UHFFFAOYSA-N 0 0 346.730 3.142 10 5 EGBERN CN1CC(C)(C)N(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001288050936 1381542928 /nfs/dbraw/zinc/54/29/28/1381542928.db2.gz AFUFXVDHTKZQKA-UHFFFAOYSA-N 0 0 339.395 3.399 10 5 EGBERN Cc1coc(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC001288776787 1381934756 /nfs/dbraw/zinc/93/47/56/1381934756.db2.gz JLJVKCUZBPXZFU-UHFFFAOYSA-N 0 0 327.239 3.455 10 5 EGBERN Cc1cc(C)n2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC001288790880 1381940351 /nfs/dbraw/zinc/94/03/51/1381940351.db2.gz FVVQCLZTCIKEAA-ZDUSSCGKSA-N 0 0 338.367 3.350 10 5 EGBERN CC1(C)CC[C@H](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)OC1 ZINC001289357344 1381994334 /nfs/dbraw/zinc/99/43/34/1381994334.db2.gz VKLZQLDLMIYGPO-KQQSKNTNSA-N 0 0 332.400 3.320 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccn1 ZINC001161097684 1382295615 /nfs/dbraw/zinc/29/56/15/1382295615.db2.gz ADKJKMNKWHLJHU-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001293633899 1382320949 /nfs/dbraw/zinc/32/09/49/1382320949.db2.gz ARJFTARKZIYJPR-VIFPVBQESA-N 0 0 338.285 3.432 10 5 EGBERN Cn1cnc2cc(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC001294091612 1382417051 /nfs/dbraw/zinc/41/70/51/1382417051.db2.gz UEVPFORDOJUBQO-UHFFFAOYSA-N 0 0 344.758 3.316 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001294149231 1382421453 /nfs/dbraw/zinc/42/14/53/1382421453.db2.gz SYAIERAKNHWKJG-MNOVXSKESA-N 0 0 328.340 3.044 10 5 EGBERN CC(C)CC(C)(C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001294407856 1382452891 /nfs/dbraw/zinc/45/28/91/1382452891.db2.gz YIBCKSUZPLAOSI-UHFFFAOYSA-N 0 0 336.417 3.402 10 5 EGBERN COc1cccc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001161957349 1382571201 /nfs/dbraw/zinc/57/12/01/1382571201.db2.gz QVFYXQRBHPZXFZ-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCc3c(Cl)c(Cl)ccc3C2)n1 ZINC001162356486 1382740037 /nfs/dbraw/zinc/74/00/37/1382740037.db2.gz YHJWOXNOVZWVMQ-UHFFFAOYSA-N 0 0 327.171 3.198 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(C)o2)cc1C ZINC001162590659 1382801706 /nfs/dbraw/zinc/80/17/06/1382801706.db2.gz DGFACKUOWQSNET-OAHLLOKOSA-N 0 0 348.355 3.127 10 5 EGBERN CSC[C@](C)(O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001162597748 1382803414 /nfs/dbraw/zinc/80/34/14/1382803414.db2.gz KGXMKDFLXWJYFS-LLVKDONJSA-N 0 0 325.217 3.428 10 5 EGBERN Cc1ccc([C@H](C)Nc2ccnc(-c3nccs3)n2)cc1[N+](=O)[O-] ZINC001162638485 1382819158 /nfs/dbraw/zinc/81/91/58/1382819158.db2.gz QXPFLSGZFIKOME-NSHDSACASA-N 0 0 341.396 3.412 10 5 EGBERN Nc1nc(N2CCc3c2cccc3-c2ccccc2)ncc1[N+](=O)[O-] ZINC001163005778 1382945014 /nfs/dbraw/zinc/94/50/14/1382945014.db2.gz PUZPCJYYYNGUII-UHFFFAOYSA-N 0 0 333.351 3.328 10 5 EGBERN COc1ccc2[nH]c(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2c1 ZINC001296322619 1382963748 /nfs/dbraw/zinc/96/37/48/1382963748.db2.gz GHBYHZFATJCVKU-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccccc2F)CCC1 ZINC001163132096 1382973053 /nfs/dbraw/zinc/97/30/53/1382973053.db2.gz OMTWYMCGBLUYFJ-UHFFFAOYSA-N 0 0 329.331 3.125 10 5 EGBERN CCc1cc(NC[C@@H]2C[C@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163334855 1383025139 /nfs/dbraw/zinc/02/51/39/1383025139.db2.gz NXBYAZLTXRBLQT-OCCSQVGLSA-N 0 0 326.400 3.494 10 5 EGBERN CO[C@](C)(CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC001163341149 1383026286 /nfs/dbraw/zinc/02/62/86/1383026286.db2.gz QCIQYHGOEOPMEW-QGZVFWFLSA-N 0 0 326.356 3.216 10 5 EGBERN C[C@@H]1Cc2cccc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)c2O1 ZINC001163355176 1383029044 /nfs/dbraw/zinc/02/90/44/1383029044.db2.gz RCKGIXPPGAEGIW-SECBINFHSA-N 0 0 348.305 3.126 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)c3cncc(F)c3)c2c1 ZINC001163457311 1383055256 /nfs/dbraw/zinc/05/52/56/1383055256.db2.gz ZVEXNVIGJVVNFZ-SNVBAGLBSA-N 0 0 342.330 3.281 10 5 EGBERN Nc1nc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ncc1[N+](=O)[O-] ZINC001163519679 1383071300 /nfs/dbraw/zinc/07/13/00/1383071300.db2.gz NYYVVKDIEJLLFW-JQWIXIFHSA-N 0 0 333.779 3.369 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Oc2ccnc(-c3nccs3)n2)c1 ZINC001163566076 1383080486 /nfs/dbraw/zinc/08/04/86/1383080486.db2.gz NUCRQFRPSRNSKG-UHFFFAOYSA-N 0 0 330.325 3.309 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc(C=O)cc1 ZINC001296878649 1383081147 /nfs/dbraw/zinc/08/11/47/1383081147.db2.gz YMPADHUVOWUHKW-KTKRTIGZSA-N 0 0 338.363 3.122 10 5 EGBERN COC(=O)c1cccc2c1CN(c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001163582208 1383083553 /nfs/dbraw/zinc/08/35/53/1383083553.db2.gz KEVNWDZWAPSGKT-UHFFFAOYSA-N 0 0 330.315 3.083 10 5 EGBERN NC(=O)CC1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCCCC1 ZINC001163798241 1383123489 /nfs/dbraw/zinc/12/34/89/1383123489.db2.gz ZPOREFWTCCKEQX-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001163802677 1383123787 /nfs/dbraw/zinc/12/37/87/1383123787.db2.gz XZBILNCLEYECJA-MAUKXSAKSA-N 0 0 343.383 3.099 10 5 EGBERN Cc1nc(NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001163935730 1383137545 /nfs/dbraw/zinc/13/75/45/1383137545.db2.gz FRHFLZPHGKFZCW-HAQNSBGRSA-N 0 0 336.392 3.013 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001164114692 1383157667 /nfs/dbraw/zinc/15/76/67/1383157667.db2.gz TZFNQVBPWCVMIU-BLLLJJGKSA-N 0 0 346.314 3.265 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3c4ccccc4OC[C@H]3F)nc2c1 ZINC001164114262 1383157728 /nfs/dbraw/zinc/15/77/28/1383157728.db2.gz CBNIRMNZQJLLNP-IAQYHMDHSA-N 0 0 328.303 3.355 10 5 EGBERN Cn1cc(COc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC001164572993 1383200743 /nfs/dbraw/zinc/20/07/43/1383200743.db2.gz QGLLBKRYTQPRCQ-UHFFFAOYSA-N 0 0 337.335 3.138 10 5 EGBERN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1F ZINC001165667616 1383321577 /nfs/dbraw/zinc/32/15/77/1383321577.db2.gz POLUYXVMGOFFFM-INIZCTEOSA-N 0 0 331.347 3.443 10 5 EGBERN Cc1nn(Cc2coc(-c3cccs3)n2)c2ncc([N+](=O)[O-])cc12 ZINC001165736507 1383335616 /nfs/dbraw/zinc/33/56/16/1383335616.db2.gz XWDMCKOJSIUMMJ-UHFFFAOYSA-N 0 0 341.352 3.413 10 5 EGBERN Cc1cc(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)cc([N+](=O)[O-])c1 ZINC001298352240 1383395617 /nfs/dbraw/zinc/39/56/17/1383395617.db2.gz MOWIGTVXRQRNPQ-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN CSc1ncc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001166313924 1383411383 /nfs/dbraw/zinc/41/13/83/1383411383.db2.gz HGDCXRHWDNPHIT-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN CCc1[nH]c(=O)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC001298808815 1383432572 /nfs/dbraw/zinc/43/25/72/1383432572.db2.gz BJJFWAZXFPCVLI-UHFFFAOYSA-N 0 0 329.356 3.435 10 5 EGBERN CC(C)[C@H]1N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001299127927 1383473636 /nfs/dbraw/zinc/47/36/36/1383473636.db2.gz WFTKYHVOMJOHHL-CQSZACIVSA-N 0 0 332.404 3.003 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)Oc3ccccc32)c1 ZINC001167426679 1383630930 /nfs/dbraw/zinc/63/09/30/1383630930.db2.gz XSRAZKONAUHSTO-GFCCVEGCSA-N 0 0 342.351 3.169 10 5 EGBERN CNc1c(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC001299832664 1383631541 /nfs/dbraw/zinc/63/15/41/1383631541.db2.gz DNCDDUVNILOCJA-LSDHHAIUSA-N 0 0 325.368 3.231 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C=O)cc1 ZINC001299861917 1383632640 /nfs/dbraw/zinc/63/26/40/1383632640.db2.gz BZNNUXFSIXSAMI-TWGQIWQCSA-N 0 0 325.324 3.101 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@](C)(O)c1ccccc1 ZINC001300227388 1383653552 /nfs/dbraw/zinc/65/35/52/1383653552.db2.gz IIDPFHKAVXUZAS-KZULUSFZSA-N 0 0 346.358 3.068 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2c(O)cccc2C1 ZINC001302130941 1383742967 /nfs/dbraw/zinc/74/29/67/1383742967.db2.gz ROHMMERWSRBNOQ-UHFFFAOYSA-N 0 0 349.346 3.047 10 5 EGBERN CCSc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001303074869 1383781492 /nfs/dbraw/zinc/78/14/92/1383781492.db2.gz DGDQGUFHAHIIAP-UHFFFAOYSA-N 0 0 331.397 3.219 10 5 EGBERN O=C(/C=C/C1CCCC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529479 1383803235 /nfs/dbraw/zinc/80/32/35/1383803235.db2.gz QWSXHOWAGFAQJR-JXMROGBWSA-N 0 0 342.399 3.266 10 5 EGBERN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001304061138 1383826781 /nfs/dbraw/zinc/82/67/81/1383826781.db2.gz OIXAJHLVJZDCGT-ZBFHGGJFSA-N 0 0 346.770 3.026 10 5 EGBERN COc1c(C(=O)Nc2n[nH]cc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC001304746523 1383853710 /nfs/dbraw/zinc/85/37/10/1383853710.db2.gz BEWMMUCSKSWSKV-UHFFFAOYSA-N 0 0 338.323 3.246 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2cc(O)ccc2C1 ZINC001305916751 1383863870 /nfs/dbraw/zinc/86/38/70/1383863870.db2.gz DTWLRXPSFYLVRF-UHFFFAOYSA-N 0 0 338.319 3.245 10 5 EGBERN Cc1cc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2cc1F ZINC001306901626 1383917301 /nfs/dbraw/zinc/91/73/01/1383917301.db2.gz KWGCTPYPWNMBBN-UHFFFAOYSA-N 0 0 348.315 3.005 10 5 EGBERN C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC001306948226 1383925012 /nfs/dbraw/zinc/92/50/12/1383925012.db2.gz GQQHBUVEDKTLQL-VIFPVBQESA-N 0 0 329.194 3.361 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(NCCc2cccc3cccnc32)cc1F ZINC001306959595 1383926801 /nfs/dbraw/zinc/92/68/01/1383926801.db2.gz SNQWEPVVCALVDQ-UHFFFAOYSA-N 0 0 341.342 3.429 10 5 EGBERN COCCN1CC[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306967508 1383927127 /nfs/dbraw/zinc/92/71/27/1383927127.db2.gz BVLGREOSDGOGHS-VIFPVBQESA-N 0 0 334.203 3.034 10 5 EGBERN COc1cc(NC[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC001306983971 1383929761 /nfs/dbraw/zinc/92/97/61/1383929761.db2.gz VAMJITUOEUGDKM-PXAZEXFGSA-N 0 0 338.404 3.475 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CC[C@@H](CO)CC1 ZINC001306997917 1383931507 /nfs/dbraw/zinc/93/15/07/1383931507.db2.gz ZBVMZFQSHYKOMU-PHIMTYICSA-N 0 0 335.791 3.181 10 5 EGBERN C[C@@H]1C[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC001306999954 1383931562 /nfs/dbraw/zinc/93/15/62/1383931562.db2.gz RTOGZEKBYOXFSI-NXEZZACHSA-N 0 0 340.221 3.394 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC001307129721 1383942862 /nfs/dbraw/zinc/94/28/62/1383942862.db2.gz FMJXVYVDRXZKEM-GFCCVEGCSA-N 0 0 329.331 3.260 10 5 EGBERN COc1cccnc1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001307140080 1383944189 /nfs/dbraw/zinc/94/41/89/1383944189.db2.gz FKURKURIYYBMTN-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001307150595 1383946104 /nfs/dbraw/zinc/94/61/04/1383946104.db2.gz MFKCJCAEBJZVAA-WDEREUQCSA-N 0 0 326.418 3.460 10 5 EGBERN Cc1cc(N[C@H](Cc2ccccc2)c2nccn2C)ncc1[N+](=O)[O-] ZINC001307156297 1383946858 /nfs/dbraw/zinc/94/68/58/1383946858.db2.gz BZJYDYWLELCIKS-OAHLLOKOSA-N 0 0 337.383 3.428 10 5 EGBERN O=C1C[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1CC1CC1 ZINC001307194295 1383954307 /nfs/dbraw/zinc/95/43/07/1383954307.db2.gz RWFYLCZPFZVKJA-SECBINFHSA-N 0 0 344.198 3.324 10 5 EGBERN Cc1nc2c(cccc2CCNc2nc3ccccn3c2[N+](=O)[O-])o1 ZINC001307204601 1383956122 /nfs/dbraw/zinc/95/61/22/1383956122.db2.gz SNPCBUVFCQJGPQ-UHFFFAOYSA-N 0 0 337.339 3.347 10 5 EGBERN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1=O ZINC001307215697 1383958688 /nfs/dbraw/zinc/95/86/88/1383958688.db2.gz DMCXNGLPQOBORX-AWEZNQCLSA-N 0 0 340.383 3.080 10 5 EGBERN COC(=O)c1csc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC001307322281 1383972114 /nfs/dbraw/zinc/97/21/14/1383972114.db2.gz GMFMFUHDJJKYTC-UHFFFAOYSA-N 0 0 335.337 3.225 10 5 EGBERN O=[N+]([O-])c1cc2cnn(C[C@H](O)c3ccc(F)cc3)c2c(Cl)c1 ZINC001307324405 1383972195 /nfs/dbraw/zinc/97/21/95/1383972195.db2.gz ILXWHFNNAGAWPX-AWEZNQCLSA-N 0 0 335.722 3.471 10 5 EGBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cnc(-c2ccccc2)nc1 ZINC001307339781 1383973573 /nfs/dbraw/zinc/97/35/73/1383973573.db2.gz RGBSIEKKXSHMCE-UHFFFAOYSA-N 0 0 348.318 3.008 10 5 EGBERN Cn1c(=O)c(COc2ccc([N+](=O)[O-])c(F)c2F)cc2ccccc21 ZINC001307344704 1383974500 /nfs/dbraw/zinc/97/45/00/1383974500.db2.gz BIKONDOYXAEXOE-UHFFFAOYSA-N 0 0 346.289 3.304 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCSc2cccc(Cl)c2)n1 ZINC001307349897 1383975387 /nfs/dbraw/zinc/97/53/87/1383975387.db2.gz RBWFHQAJJUFTLG-UHFFFAOYSA-N 0 0 328.737 3.145 10 5 EGBERN COc1cc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)sn1 ZINC001307365374 1383977730 /nfs/dbraw/zinc/97/77/30/1383977730.db2.gz IIZRKOVIYNRLTC-UHFFFAOYSA-N 0 0 338.238 3.195 10 5 EGBERN CC[C@]1(C)COCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001307645426 1384007327 /nfs/dbraw/zinc/00/73/27/1384007327.db2.gz MAIHORQWIQJZAX-CQSZACIVSA-N 0 0 343.221 3.358 10 5 EGBERN COC(=O)[C@@](C)(NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001307980746 1384067032 /nfs/dbraw/zinc/06/70/32/1384067032.db2.gz FQWGATODQUAPIF-KRWDZBQOSA-N 0 0 348.786 3.426 10 5 EGBERN CC(C)=CCC[C@@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001312729447 1384367103 /nfs/dbraw/zinc/36/71/03/1384367103.db2.gz RBHCWNNEMUBGNK-CQSZACIVSA-N 0 0 334.420 3.441 10 5 EGBERN C[C@H](CNC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001313295907 1384408394 /nfs/dbraw/zinc/40/83/94/1384408394.db2.gz DSLMPXHOKZHBTJ-HLPPOEQASA-N 0 0 331.416 3.434 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001313297018 1384408530 /nfs/dbraw/zinc/40/85/30/1384408530.db2.gz UJOMLEHCGWUCME-MQYQWHSLSA-N 0 0 331.416 3.421 10 5 EGBERN Cc1ccc(O)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001171478594 1384535150 /nfs/dbraw/zinc/53/51/50/1384535150.db2.gz KJCRRCRJADZURM-UHFFFAOYSA-N 0 0 325.324 3.202 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001171518134 1384548909 /nfs/dbraw/zinc/54/89/09/1384548909.db2.gz VSQQSBFEYRITHV-UHFFFAOYSA-N 0 0 335.389 3.085 10 5 EGBERN O=C1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc2N1 ZINC001171568283 1384565903 /nfs/dbraw/zinc/56/59/03/1384565903.db2.gz XPEZKPLOTGBCMS-UHFFFAOYSA-N 0 0 331.759 3.203 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670852 1384597158 /nfs/dbraw/zinc/59/71/58/1384597158.db2.gz MNSHPBBQIBWUTN-OAHLLOKOSA-N 0 0 338.404 3.026 10 5 EGBERN CCN(CCNC(=O)C12CCC(CC1)C2)Cc1ccccc1[N+](=O)[O-] ZINC001317481175 1385177239 /nfs/dbraw/zinc/17/72/39/1385177239.db2.gz BSKYULCUARKVKZ-UHFFFAOYSA-N 0 0 345.443 3.113 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2ncccn2)c([N+](=O)[O-])cc1F ZINC001175844387 1385419510 /nfs/dbraw/zinc/41/95/10/1385419510.db2.gz GBHXYLYHZFRDHA-CQSZACIVSA-N 0 0 346.362 3.260 10 5 EGBERN CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001317730182 1385428748 /nfs/dbraw/zinc/42/87/48/1385428748.db2.gz LJFFATGDPWTTLI-NPVKOBCOSA-N 0 0 343.427 3.126 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1Cl ZINC001329145241 1388988888 /nfs/dbraw/zinc/98/88/88/1388988888.db2.gz AFVLWUOARSOJOW-FKTZTGRPSA-N 0 0 330.718 3.412 10 5 EGBERN O=C(/C=C\c1cnc2ccccc2n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318928575 1385884622 /nfs/dbraw/zinc/88/46/22/1385884622.db2.gz NZMZDHCXHWVYNI-VURMDHGXSA-N 0 0 346.346 3.094 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001177252175 1385885601 /nfs/dbraw/zinc/88/56/01/1385885601.db2.gz MHRVEJJTEKXLQO-GDBMZVCRSA-N 0 0 348.786 3.490 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(-c2ccccn2)ccc1Cl ZINC001177805508 1386051614 /nfs/dbraw/zinc/05/16/14/1386051614.db2.gz DMFVFKBITUHAMK-UHFFFAOYSA-N 0 0 343.730 3.286 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001319425015 1386116679 /nfs/dbraw/zinc/11/66/79/1386116679.db2.gz JVJDLHWKKPZDOV-LLVKDONJSA-N 0 0 340.426 3.145 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2ccc3ncn(C)c3c2)c1[N+](=O)[O-] ZINC001178831883 1386320976 /nfs/dbraw/zinc/32/09/76/1386320976.db2.gz KNAMQCPOXWTOJH-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN Cn1cnc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc21 ZINC001178832277 1386321145 /nfs/dbraw/zinc/32/11/45/1386321145.db2.gz ONILGURBBWONRE-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(Cl)c1Cl ZINC001319938043 1386404090 /nfs/dbraw/zinc/40/40/90/1386404090.db2.gz RJOROTDTOUQQRV-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN Cc1ccc(NC(=O)[C@H](O)C2CCCCCCC2)c(N)c1[N+](=O)[O-] ZINC001179879282 1386615969 /nfs/dbraw/zinc/61/59/69/1386615969.db2.gz ILGDPEVZHNMCQQ-MRXNPFEDSA-N 0 0 335.404 3.145 10 5 EGBERN Cc1cccnc1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC001180183993 1386723768 /nfs/dbraw/zinc/72/37/68/1386723768.db2.gz JEKFSAJMPHMKRA-MRXNPFEDSA-N 0 0 342.399 3.398 10 5 EGBERN CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001181021938 1386917629 /nfs/dbraw/zinc/91/76/29/1386917629.db2.gz MGDRVTGSRPQOTH-LICLKQGHSA-N 0 0 339.351 3.019 10 5 EGBERN O=[N+]([O-])c1cccc(OCc2nnc(CCOc3ccccc3)o2)c1 ZINC001322326300 1387159097 /nfs/dbraw/zinc/15/90/97/1387159097.db2.gz GFBLMCNAAGSTNR-UHFFFAOYSA-N 0 0 341.323 3.178 10 5 EGBERN COc1ccc(Cc2nnc(Cc3ccccc3C)o2)cc1[N+](=O)[O-] ZINC001322394978 1387178959 /nfs/dbraw/zinc/17/89/59/1387178959.db2.gz MUCOIPAMKWSPTH-UHFFFAOYSA-N 0 0 339.351 3.476 10 5 EGBERN COc1cc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC001330685043 1389496520 /nfs/dbraw/zinc/49/65/20/1389496520.db2.gz JYSUNNCASRNPIZ-BBBLOLIVSA-N 0 0 328.315 3.458 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001331313506 1389697549 /nfs/dbraw/zinc/69/75/49/1389697549.db2.gz VJTLILNEJZELDY-VXJOIVPMSA-N 0 0 334.763 3.171 10 5 EGBERN CCCCCC[C@@H](C)NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339646157 1390095744 /nfs/dbraw/zinc/09/57/44/1390095744.db2.gz YIEJCLNMBLRSHU-CQSZACIVSA-N 0 0 333.432 3.386 10 5 EGBERN C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC001332913378 1390215271 /nfs/dbraw/zinc/21/52/71/1390215271.db2.gz SBUNPFKTDZGEAD-WCQYABFASA-N 0 0 337.445 3.413 10 5 EGBERN COC(=O)c1cc(NC(=O)c2c(C)cccc2F)cc([N+](=O)[O-])c1 ZINC001340209972 1390250650 /nfs/dbraw/zinc/25/06/50/1390250650.db2.gz OUJFEKDQUBJPQX-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3c(C)cncc3[N+](=O)[O-])C2)c1 ZINC001333741935 1390389782 /nfs/dbraw/zinc/38/97/82/1390389782.db2.gz RONXMEPZCHWRFT-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001341382757 1390479367 /nfs/dbraw/zinc/47/93/67/1390479367.db2.gz IHZOCXOOTBNZLX-HNNXBMFYSA-N 0 0 345.786 3.215 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001334553714 1390557011 /nfs/dbraw/zinc/55/70/11/1390557011.db2.gz NHTGOWZKQYOIJL-VEAWUBTESA-N 0 0 338.354 3.468 10 5 EGBERN C[C@H](NC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC001334853937 1390606016 /nfs/dbraw/zinc/60/60/16/1390606016.db2.gz BDMIFCBFYQGEOH-TVYUQYBPSA-N 0 0 346.305 3.272 10 5 EGBERN Cc1nc(NCc2ccccc2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC001334955023 1390626054 /nfs/dbraw/zinc/62/60/54/1390626054.db2.gz LIQVYMWHVLUSMS-UHFFFAOYSA-N 0 0 326.278 3.410 10 5 EGBERN COc1cccc(F)c1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001342606671 1390631522 /nfs/dbraw/zinc/63/15/22/1390631522.db2.gz FPJIHVUGNOPQBO-UONOGXRCSA-N 0 0 344.342 3.162 10 5 EGBERN C[C@H](Cc1cnccn1)OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001344296684 1390779971 /nfs/dbraw/zinc/77/99/71/1390779971.db2.gz ZINDKIJUNSNARL-LLVKDONJSA-N 0 0 349.774 3.145 10 5 EGBERN Cc1c(NC(=O)N[C@H]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC001345108585 1390838097 /nfs/dbraw/zinc/83/80/97/1390838097.db2.gz VGQZJUMWUWVXFP-HNNXBMFYSA-N 0 0 333.388 3.374 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001345278162 1390852989 /nfs/dbraw/zinc/85/29/89/1390852989.db2.gz FWNDYEMLSKHPHR-GHMZBOCLSA-N 0 0 349.309 3.012 10 5 EGBERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001346129804 1390909829 /nfs/dbraw/zinc/90/98/29/1390909829.db2.gz VRPANRKREJTGEV-IAOVAPTHSA-N 0 0 347.415 3.399 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1sc(Cc2ccccc2)nc1C ZINC001346198421 1390914629 /nfs/dbraw/zinc/91/46/29/1390914629.db2.gz WWGDAXKGLQQDNG-CYBMUJFWSA-N 0 0 334.397 3.254 10 5 EGBERN Cc1c(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001346428362 1390936404 /nfs/dbraw/zinc/93/64/04/1390936404.db2.gz WOXJYPAKTQQRRY-IAGOWNOFSA-N 0 0 347.415 3.146 10 5 EGBERN CC1(C)C[C@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC001347982963 1391154643 /nfs/dbraw/zinc/15/46/43/1391154643.db2.gz TYCZOJGCSNUCHS-GFCCVEGCSA-N 0 0 346.383 3.367 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC001348224600 1391187783 /nfs/dbraw/zinc/18/77/83/1391187783.db2.gz SIKOTARLNWELSB-MRXNPFEDSA-N 0 0 345.399 3.353 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001348439657 1391220068 /nfs/dbraw/zinc/22/00/68/1391220068.db2.gz WAMHRICYKOHTBD-UHFFFAOYSA-N 0 0 336.259 3.234 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001348497217 1391229314 /nfs/dbraw/zinc/22/93/14/1391229314.db2.gz MWVLDQGWWAYDLM-JKSUJKDBSA-N 0 0 342.307 3.350 10 5 EGBERN O=C(OCc1cccnc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001348519587 1391231637 /nfs/dbraw/zinc/23/16/37/1391231637.db2.gz JFJMFIFHCWMJEF-UHFFFAOYSA-N 0 0 337.129 3.109 10 5 EGBERN Cc1cc(C)c(OC(=O)c2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC001348807104 1391269980 /nfs/dbraw/zinc/26/99/80/1391269980.db2.gz KXBPMFVFOQRZKQ-UHFFFAOYSA-N 0 0 338.323 3.012 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@@H]1C ZINC001349636052 1391347272 /nfs/dbraw/zinc/34/72/72/1391347272.db2.gz FUDHHOTUDDZHHK-WOKLECCJSA-N 0 0 345.399 3.029 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H]1C ZINC001349636049 1391347276 /nfs/dbraw/zinc/34/72/76/1391347276.db2.gz FUDHHOTUDDZHHK-CXUUEIJPSA-N 0 0 345.399 3.029 10 5 EGBERN COc1cccc([C@H](OC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001349885933 1391380831 /nfs/dbraw/zinc/38/08/31/1391380831.db2.gz LZACVTVFRMMFNR-INIZCTEOSA-N 0 0 330.340 3.238 10 5 EGBERN Cc1c(NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)cccc1[N+](=O)[O-] ZINC001349899545 1391382910 /nfs/dbraw/zinc/38/29/10/1391382910.db2.gz OZKHRUDEVNQJNL-OAHLLOKOSA-N 0 0 339.351 3.107 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1cc(F)c(C)cc1F ZINC001350020366 1391398787 /nfs/dbraw/zinc/39/87/87/1391398787.db2.gz KGFCCVSLUJAQBX-UHFFFAOYSA-N 0 0 337.278 3.338 10 5 EGBERN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350054845 1391403656 /nfs/dbraw/zinc/40/36/56/1391403656.db2.gz XZICRWVRASRLMN-CXAGYDPISA-N 0 0 347.415 3.419 10 5 EGBERN C[C@H](OC(=O)c1cc(C(F)(F)F)ncn1)c1cccc([N+](=O)[O-])c1 ZINC001350189758 1391427169 /nfs/dbraw/zinc/42/71/69/1391427169.db2.gz QIVMTGRYFYMHSK-QMMMGPOBSA-N 0 0 341.245 3.322 10 5 EGBERN COc1ccn2c(C(=O)Oc3c(C)cc(C)cc3[N+](=O)[O-])cnc2c1 ZINC001350589661 1391484931 /nfs/dbraw/zinc/48/49/31/1391484931.db2.gz UDWYCKUCRJSDIL-UHFFFAOYSA-N 0 0 341.323 3.087 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001350617056 1391491094 /nfs/dbraw/zinc/49/10/94/1391491094.db2.gz WEJXMLOCJYSDNB-GFCCVEGCSA-N 0 0 331.299 3.199 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCSc3ccccc32)n1 ZINC001350676841 1391504337 /nfs/dbraw/zinc/50/43/37/1391504337.db2.gz VABNZFLZGKWIKE-CYBMUJFWSA-N 0 0 329.381 3.265 10 5 EGBERN O=C([C@H](CCCO)c1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001351268298 1391619006 /nfs/dbraw/zinc/61/90/06/1391619006.db2.gz JLHXWQTYMJQFLW-OAHLLOKOSA-N 0 0 340.379 3.040 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001351271695 1391619836 /nfs/dbraw/zinc/61/98/36/1391619836.db2.gz YTZXCQAUCJAMKY-VDAHYXPESA-N 0 0 332.253 3.037 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCOc2c(F)cccc21 ZINC001351327560 1391627608 /nfs/dbraw/zinc/62/76/08/1391627608.db2.gz LAGJTUSCENIOOF-LLVKDONJSA-N 0 0 334.278 3.378 10 5 EGBERN CN(C(=O)c1cccc2c1OC(F)(F)O2)c1ccc([N+](=O)[O-])cc1 ZINC001351684140 1391669878 /nfs/dbraw/zinc/66/98/78/1391669878.db2.gz OVQKBQZNIYMCRJ-UHFFFAOYSA-N 0 0 336.250 3.193 10 5 EGBERN COc1cc(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)sn1 ZINC001353123398 1391938255 /nfs/dbraw/zinc/93/82/55/1391938255.db2.gz RROQMRSVMZENFY-UHFFFAOYSA-N 0 0 349.412 3.456 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2c[nH]cn2)CC1 ZINC001353185973 1391953727 /nfs/dbraw/zinc/95/37/27/1391953727.db2.gz SEPVHOLBMCHMCL-UHFFFAOYSA-N 0 0 348.790 3.066 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001353253889 1391975135 /nfs/dbraw/zinc/97/51/35/1391975135.db2.gz BDJJHPWQHYNHAB-DJYGCBNOSA-N 0 0 345.307 3.292 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)CCOC2 ZINC001353336714 1391991699 /nfs/dbraw/zinc/99/16/99/1391991699.db2.gz GFOPXANXMXOZGC-UHFFFAOYSA-N 0 0 334.278 3.198 10 5 EGBERN C[C@@H](C(=O)N=c1sc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC001353576978 1392042862 /nfs/dbraw/zinc/04/28/62/1392042862.db2.gz HORLHEKBAPRHQD-LLVKDONJSA-N 0 0 341.392 3.379 10 5 EGBERN Cc1ccc(OCCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001353651735 1392060910 /nfs/dbraw/zinc/06/09/10/1392060910.db2.gz PHCQACCNMWECEH-ROUUACIJSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)n1 ZINC001353677706 1392065449 /nfs/dbraw/zinc/06/54/49/1392065449.db2.gz KVJLPWZWWKGXJS-ZDUSSCGKSA-N 0 0 347.371 3.404 10 5 EGBERN CN(C(=O)Cn1ccc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC001353919545 1392108214 /nfs/dbraw/zinc/10/82/14/1392108214.db2.gz AMPXHWJLFCFUOB-UHFFFAOYSA-N 0 0 327.315 3.352 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)N(C)C)cc2)c1C ZINC001353956932 1392109960 /nfs/dbraw/zinc/10/99/60/1392109960.db2.gz WVUMCQDSVNDZDS-UHFFFAOYSA-N 0 0 342.351 3.133 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353960737 1392110030 /nfs/dbraw/zinc/11/00/30/1392110030.db2.gz ZOOBDUHTSDLTDI-SUMWQHHRSA-N 0 0 345.399 3.269 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001354996081 1392183828 /nfs/dbraw/zinc/18/38/28/1392183828.db2.gz XFBQJWALMXDACB-QWHCGFSZSA-N 0 0 334.372 3.210 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOc2c(F)cccc21 ZINC001355002535 1392184696 /nfs/dbraw/zinc/18/46/96/1392184696.db2.gz AIMKVVKYWFFCIK-NSHDSACASA-N 0 0 334.278 3.378 10 5 EGBERN CCc1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC001355015118 1392185965 /nfs/dbraw/zinc/18/59/65/1392185965.db2.gz HHTXZXREINRAOP-UHFFFAOYSA-N 0 0 334.763 3.470 10 5 EGBERN COC(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC001355056546 1392189944 /nfs/dbraw/zinc/18/99/44/1392189944.db2.gz ZVTMIFPDIKPZBJ-UHFFFAOYSA-N 0 0 333.275 3.165 10 5 EGBERN CC[C@H]1CC[C@H](C(=O)NCCN(C)c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001689819311 1404158287 /nfs/dbraw/zinc/15/82/87/1404158287.db2.gz MDJXVCZJHQPLAC-SHTZXODSSA-N 0 0 348.447 3.067 10 5 EGBERN C[C@H]1C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693605215 1406028635 /nfs/dbraw/zinc/02/86/35/1406028635.db2.gz YTUZURVHFNQDSA-JSGCOSHPSA-N 0 0 327.388 3.110 10 5 EGBERN CN(CCCN(C)C(=O)CC1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001717205784 1421176199 /nfs/dbraw/zinc/17/61/99/1421176199.db2.gz UOLPZDWNPYEIQO-UHFFFAOYSA-N 0 0 339.461 3.127 10 5 EGBERN CCC(=CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)CC ZINC001723510568 1424447086 /nfs/dbraw/zinc/44/70/86/1424447086.db2.gz XKFUTEIKSQDIHE-UHFFFAOYSA-N 0 0 337.445 3.141 10 5 EGBERN CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001733572007 1429775128 /nfs/dbraw/zinc/77/51/28/1429775128.db2.gz DPAXSBSLERBEIU-CALCHBBNSA-N 0 0 345.443 3.065 10 5 EGBERN CC/C=C\Cn1c(CC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001727868299 1427127434 /nfs/dbraw/zinc/12/74/34/1427127434.db2.gz VGBFDCBGLIENPE-WAYWQWQTSA-N 0 0 341.415 3.278 10 5 EGBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001762965423 1441380721 /nfs/dbraw/zinc/38/07/21/1441380721.db2.gz DXSQBJWWRIVHNY-JMSVASOKSA-N 0 0 327.388 3.280 10 5 EGBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC001766620300 1441402900 /nfs/dbraw/zinc/40/29/00/1441402900.db2.gz QOYFPIAPIPRQKS-UHFFFAOYSA-N 0 0 341.371 3.341 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000135265141 282167658 /nfs/dbraw/zinc/16/76/58/282167658.db2.gz DFXFKOQOYJRHLQ-FZMZJTMJSA-N 0 0 343.358 3.456 10 5 EGBERN CC[C@H](NC(=O)NCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181837513 529506157 /nfs/dbraw/zinc/50/61/57/529506157.db2.gz ICKWGLVGYXZYJT-CVEARBPZSA-N 0 0 335.404 3.304 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000190106013 529547500 /nfs/dbraw/zinc/54/75/00/529547500.db2.gz CSJHBAYULTZMRM-WFASDCNBSA-N 0 0 349.431 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)NC(=O)c2c(F)cccc2F)c1C ZINC000004300444 210163988 /nfs/dbraw/zinc/16/39/88/210163988.db2.gz APIBJOOEKDJGJT-UHFFFAOYSA-N 0 0 349.293 3.452 10 5 EGBERN COc1ccc(S[C@H](C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000067168843 215120688 /nfs/dbraw/zinc/12/06/88/215120688.db2.gz ZXWSHUDAIGIAEA-SNVBAGLBSA-N 0 0 333.369 3.118 10 5 EGBERN COC[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000103383269 219294795 /nfs/dbraw/zinc/29/47/95/219294795.db2.gz OIYXZHQAWUIAJF-SECBINFHSA-N 0 0 335.385 3.248 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(O)Cc3ccccc3C2)c2ncccc12 ZINC000371713174 168647088 /nfs/dbraw/zinc/64/70/88/168647088.db2.gz LCXJRHLHVSARMT-UHFFFAOYSA-N 0 0 335.363 3.085 10 5 EGBERN Cc1ccc2c(cccc2Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])n1 ZINC000040661653 213365070 /nfs/dbraw/zinc/36/50/70/213365070.db2.gz BBUILSUNHZHELW-UHFFFAOYSA-N 0 0 347.338 3.171 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(F)cc1 ZINC000040645472 213363717 /nfs/dbraw/zinc/36/37/17/213363717.db2.gz SKHNZLGKZLNRFH-UHFFFAOYSA-N 0 0 329.291 3.473 10 5 EGBERN CN(c1ccccc1)c1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] ZINC000040625681 213361415 /nfs/dbraw/zinc/36/14/15/213361415.db2.gz LXVLCVMRUPTIHQ-UHFFFAOYSA-N 0 0 346.350 3.492 10 5 EGBERN Cc1csc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183315451 235004056 /nfs/dbraw/zinc/00/40/56/235004056.db2.gz YOXXOVLJOZVTIN-OAHLLOKOSA-N 0 0 333.413 3.242 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000082390 209408412 /nfs/dbraw/zinc/40/84/12/209408412.db2.gz ZCIHGXKYBIXNHY-SJKOYZFVSA-N 0 0 328.324 3.086 10 5 EGBERN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccnc1 ZINC000129780820 223091258 /nfs/dbraw/zinc/09/12/58/223091258.db2.gz RIEJUBIYRJIHMT-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000023512247 212381930 /nfs/dbraw/zinc/38/19/30/212381930.db2.gz CJDNDFWOILFMRI-QWHCGFSZSA-N 0 0 344.367 3.248 10 5 EGBERN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000022052927 212274566 /nfs/dbraw/zinc/27/45/66/212274566.db2.gz VLDCNDJHWYOCCG-CYBMUJFWSA-N 0 0 338.360 3.050 10 5 EGBERN CC1=CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000230809119 242265212 /nfs/dbraw/zinc/26/52/12/242265212.db2.gz HSNZNYKNCOVHTG-UHFFFAOYSA-N 0 0 325.162 3.150 10 5 EGBERN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000353231073 284161179 /nfs/dbraw/zinc/16/11/79/284161179.db2.gz PQJNQJDUOALUJP-SNVBAGLBSA-N 0 0 348.668 3.005 10 5 EGBERN CCOc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000019162033 212001727 /nfs/dbraw/zinc/00/17/27/212001727.db2.gz KCSXMEYIUWUUAM-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN CCc1ccc([C@@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000263642655 245472278 /nfs/dbraw/zinc/47/22/78/245472278.db2.gz DCMBOPWSEZTURX-GFCCVEGCSA-N 0 0 344.415 3.238 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000185281461 284360123 /nfs/dbraw/zinc/36/01/23/284360123.db2.gz SGLQJKXSPSDKKJ-AWEZNQCLSA-N 0 0 348.742 3.316 10 5 EGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185301831 284360732 /nfs/dbraw/zinc/36/07/32/284360732.db2.gz RPKGIVPSLNQEKY-CQSZACIVSA-N 0 0 348.742 3.316 10 5 EGBERN Cc1c(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000080123616 217281123 /nfs/dbraw/zinc/28/11/23/217281123.db2.gz GBZBEHIJVKRKCY-NSHDSACASA-N 0 0 346.305 3.083 10 5 EGBERN COc1cc(NCc2nc(-c3cccs3)n[nH]2)ccc1[N+](=O)[O-] ZINC000080981062 217346136 /nfs/dbraw/zinc/34/61/36/217346136.db2.gz COZCGIGULMJXMW-UHFFFAOYSA-N 0 0 331.357 3.062 10 5 EGBERN CC(=O)[C@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000111692562 220181988 /nfs/dbraw/zinc/18/19/88/220181988.db2.gz LTFAGYDTTKEXBH-LLVKDONJSA-N 0 0 327.178 3.305 10 5 EGBERN Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)nc(C)c1C ZINC000014200611 211711000 /nfs/dbraw/zinc/71/10/00/211711000.db2.gz ZWZZPQXLCIPREZ-UHFFFAOYSA-N 0 0 346.412 3.349 10 5 EGBERN Cc1c(NC(=O)N2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000151460644 223824568 /nfs/dbraw/zinc/82/45/68/223824568.db2.gz MOTNGQPYRBJWDF-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C ZINC000266254858 248203593 /nfs/dbraw/zinc/20/35/93/248203593.db2.gz WXYNPXQLPWUJKZ-UHFFFAOYSA-N 0 0 344.371 3.442 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@](C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000408049956 169158339 /nfs/dbraw/zinc/15/83/39/169158339.db2.gz GYBGIRZBLBPKAO-ACJLOTCBSA-N 0 0 349.406 3.405 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 ZINC000012939281 211490112 /nfs/dbraw/zinc/49/01/12/211490112.db2.gz MJEBFIVZPCSXNQ-UHFFFAOYSA-N 0 0 338.363 3.290 10 5 EGBERN Cc1ccc([C@@H]2CSCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000095432618 218374445 /nfs/dbraw/zinc/37/44/45/218374445.db2.gz OYUDLQAAKLVWSD-HOTGVXAUSA-N 0 0 348.424 3.320 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000008269699 210923482 /nfs/dbraw/zinc/92/34/82/210923482.db2.gz GSLJYCNEOHHEBJ-GFCCVEGCSA-N 0 0 330.340 3.318 10 5 EGBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000007688407 210832473 /nfs/dbraw/zinc/83/24/73/210832473.db2.gz CAJKRTCJTIDCTQ-UHFFFAOYSA-N 0 0 334.397 3.032 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000268318850 251822479 /nfs/dbraw/zinc/82/24/79/251822479.db2.gz SGGLUPTVGHITRR-HOCLYGCPSA-N 0 0 342.395 3.188 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccs2)C1 ZINC000268536737 252005295 /nfs/dbraw/zinc/00/52/95/252005295.db2.gz YLIGESBGBGLAQX-CYBMUJFWSA-N 0 0 333.369 3.262 10 5 EGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000005869728 210551115 /nfs/dbraw/zinc/55/11/15/210551115.db2.gz IYJHCHPYAOCVSZ-CHWSQXEVSA-N 0 0 326.352 3.340 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CCC(c2nnc3n2CCC3)CC1 ZINC000376160578 285117011 /nfs/dbraw/zinc/11/70/11/285117011.db2.gz OIPMEDCRMLPREE-UHFFFAOYSA-N 0 0 347.806 3.170 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2Sc1cccs1 ZINC000000169950 285144022 /nfs/dbraw/zinc/14/40/22/285144022.db2.gz VUPUISNBHVXDMK-SNVBAGLBSA-N 0 0 327.408 3.277 10 5 EGBERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000112712494 220383488 /nfs/dbraw/zinc/38/34/88/220383488.db2.gz PIMQPAILJNTFEW-UHFFFAOYSA-N 0 0 343.387 3.042 10 5 EGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn21 ZINC000024059818 285207117 /nfs/dbraw/zinc/20/71/17/285207117.db2.gz QFLIUARBPDFKFC-MGPQQGTHSA-N 0 0 342.399 3.374 10 5 EGBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000115589229 220877653 /nfs/dbraw/zinc/87/76/53/220877653.db2.gz KSHFRBDDBLKGPW-CYBMUJFWSA-N 0 0 349.412 3.070 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000269043255 255519334 /nfs/dbraw/zinc/51/93/34/255519334.db2.gz YSLCKGSPARSFBQ-PXAZEXFGSA-N 0 0 346.358 3.284 10 5 EGBERN COc1cc(NCc2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000118999522 221220634 /nfs/dbraw/zinc/22/06/34/221220634.db2.gz JUYGQMHQVLTPEA-UHFFFAOYSA-N 0 0 348.256 3.107 10 5 EGBERN Cc1ncc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000119699531 221380234 /nfs/dbraw/zinc/38/02/34/221380234.db2.gz LJBZGEAESUOKQH-UHFFFAOYSA-N 0 0 348.428 3.182 10 5 EGBERN O=C1[C@H](N2CCC[C@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246858638 141039768 /nfs/dbraw/zinc/03/97/68/141039768.db2.gz DVQCGHQEHKHDLJ-JKSUJKDBSA-N 0 0 341.367 3.130 10 5 EGBERN Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000338049458 141082111 /nfs/dbraw/zinc/08/21/11/141082111.db2.gz XWKOZJXDHKSWAL-LURJTMIESA-N 0 0 343.170 3.424 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000338083834 141090152 /nfs/dbraw/zinc/09/01/52/141090152.db2.gz GKSHHPHIIXAGKI-HNNXBMFYSA-N 0 0 344.342 3.468 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)cc1F ZINC000338096177 141092947 /nfs/dbraw/zinc/09/29/47/141092947.db2.gz ZSZXPCAUIDVAQG-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000338138061 141100693 /nfs/dbraw/zinc/10/06/93/141100693.db2.gz GGNCCGIOOFDBKO-CQSZACIVSA-N 0 0 330.315 3.160 10 5 EGBERN COc1ccc(CN[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000339454126 141114092 /nfs/dbraw/zinc/11/40/92/141114092.db2.gz AEUXKTFZOUMAFC-NSHDSACASA-N 0 0 347.318 3.453 10 5 EGBERN Cc1ccc2[nH]c(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000344480196 141161903 /nfs/dbraw/zinc/16/19/03/141161903.db2.gz SPANOXPLGWHKHQ-UHFFFAOYSA-N 0 0 340.339 3.105 10 5 EGBERN Cc1nc(CC(C)C)oc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346874932 141209296 /nfs/dbraw/zinc/20/92/96/141209296.db2.gz IVVNFBFTRGWSGA-UHFFFAOYSA-N 0 0 343.343 3.126 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000348000002 141231147 /nfs/dbraw/zinc/23/11/47/141231147.db2.gz SHHPKOXALYAECL-HWPZZCPQSA-N 0 0 336.351 3.134 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000353134721 141288320 /nfs/dbraw/zinc/28/83/20/141288320.db2.gz DNSZYSCBMHGRLH-LBPRGKRZSA-N 0 0 345.786 3.460 10 5 EGBERN O=C(Nc1n[nH]c2cc(F)ccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356844226 141352882 /nfs/dbraw/zinc/35/28/82/141352882.db2.gz WDDPVUZRKORQIM-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN C[C@@H](NC(=O)NCc1ccc2cc[nH]c2n1)c1ccccc1[N+](=O)[O-] ZINC000357938562 141361718 /nfs/dbraw/zinc/36/17/18/141361718.db2.gz RUOXLKUDVFSGNQ-LLVKDONJSA-N 0 0 339.355 3.032 10 5 EGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000171645802 144008829 /nfs/dbraw/zinc/00/88/29/144008829.db2.gz UEMRLLIBCMJQFC-NPQIQWPPSA-N 0 0 343.408 3.471 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000172729872 144026927 /nfs/dbraw/zinc/02/69/27/144026927.db2.gz BSAOIEFMDKVMLA-UHFFFAOYSA-N 0 0 341.245 3.291 10 5 EGBERN Cc1nnc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378797 144040284 /nfs/dbraw/zinc/04/02/84/144040284.db2.gz RCXDRMDOBXXMFJ-PXAZEXFGSA-N 0 0 337.383 3.462 10 5 EGBERN Nc1c(C(=O)N[C@H](c2ccccc2)c2ccncc2)cccc1[N+](=O)[O-] ZINC000178191699 144066406 /nfs/dbraw/zinc/06/64/06/144066406.db2.gz PVEOKANNSPUHHU-GOSISDBHSA-N 0 0 348.362 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCCN(c3ccccn3)CC2)c(Cl)c1 ZINC000183834529 144080431 /nfs/dbraw/zinc/08/04/31/144080431.db2.gz CTLRTWRUVFKZLG-UHFFFAOYSA-N 0 0 346.818 3.356 10 5 EGBERN Cn1cc(-c2cc(COc3cc(Cl)ccc3[N+](=O)[O-])on2)cn1 ZINC000183996863 144083271 /nfs/dbraw/zinc/08/32/71/144083271.db2.gz AKAQKGYSRGLVGO-UHFFFAOYSA-N 0 0 334.719 3.216 10 5 EGBERN Cn1cc(-c2cc(CSCc3ccccc3[N+](=O)[O-])on2)cn1 ZINC000184119247 144086764 /nfs/dbraw/zinc/08/67/64/144086764.db2.gz WLASPJVSHRMZQW-UHFFFAOYSA-N 0 0 330.369 3.417 10 5 EGBERN CC(C)[C@@H](Nc1ncc([N+](=O)[O-])s1)c1nc(-c2cccnc2)no1 ZINC000192493563 144175256 /nfs/dbraw/zinc/17/52/56/144175256.db2.gz PCTUXAKUEMMGSI-LLVKDONJSA-N 0 0 346.372 3.306 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000351604911 144287080 /nfs/dbraw/zinc/28/70/80/144287080.db2.gz FVSYRDJILQFGBS-VXGBXAGGSA-N 0 0 337.351 3.014 10 5 EGBERN COc1cc(Cn2nc(C)c(Br)c2C)ccc1[N+](=O)[O-] ZINC000351842214 144315433 /nfs/dbraw/zinc/31/54/33/144315433.db2.gz WECWBROTCYUMNY-UHFFFAOYSA-N 0 0 340.177 3.228 10 5 EGBERN NS(=O)(=O)c1ccc(Nc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000351873526 144319096 /nfs/dbraw/zinc/31/90/96/144319096.db2.gz DAAPQQKHJVHTCM-UHFFFAOYSA-N 0 0 349.393 3.201 10 5 EGBERN COc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000364049856 144388099 /nfs/dbraw/zinc/38/80/99/144388099.db2.gz FWBGMTVYIXAQHP-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc2cccnc21 ZINC000341170265 155205065 /nfs/dbraw/zinc/20/50/65/155205065.db2.gz PAPIDOZEVWTGKD-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOC[C@@H]1CC1CCC1 ZINC000341408202 155277212 /nfs/dbraw/zinc/27/72/12/155277212.db2.gz NBIKTOQYPKKJOB-AWEZNQCLSA-N 0 0 343.383 3.107 10 5 EGBERN COc1cc(CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000265982021 286217376 /nfs/dbraw/zinc/21/73/76/286217376.db2.gz FBMQHFOAZLLPNF-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN CC(C)(C)n1nccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341440377 155294037 /nfs/dbraw/zinc/29/40/37/155294037.db2.gz KIVLWECRLCRXDN-UHFFFAOYSA-N 0 0 338.314 3.006 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ccncc1 ZINC000119847650 152233189 /nfs/dbraw/zinc/23/31/89/152233189.db2.gz XFBPYSUTQSLTCP-QGZVFWFLSA-N 0 0 336.351 3.448 10 5 EGBERN CC[C@H](NC(=O)c1sc(COC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000121138405 152329466 /nfs/dbraw/zinc/32/94/66/152329466.db2.gz UEWNPYJDFWXTHV-ZDUSSCGKSA-N 0 0 349.412 3.387 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000153310625 152533523 /nfs/dbraw/zinc/53/35/23/152533523.db2.gz ORAGTZXVYRQUBQ-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174496098 152864203 /nfs/dbraw/zinc/86/42/03/152864203.db2.gz MMLLALLUJDGSLJ-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN Cc1ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1[N+](=O)[O-] ZINC000188448204 153017222 /nfs/dbraw/zinc/01/72/22/153017222.db2.gz WUQDFOSDTNNNGV-CYBMUJFWSA-N 0 0 329.404 3.195 10 5 EGBERN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000189963709 153108635 /nfs/dbraw/zinc/10/86/35/153108635.db2.gz YDFWMNNHPLOZRJ-UHFFFAOYSA-N 0 0 332.400 3.088 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2csc3ccccc23)c1=O ZINC000194557855 153345994 /nfs/dbraw/zinc/34/59/94/153345994.db2.gz SHRKNIPFXMGPNI-UHFFFAOYSA-N 0 0 328.349 3.163 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000305714313 154108046 /nfs/dbraw/zinc/10/80/46/154108046.db2.gz LONFBAYOWCHRTN-SFHVURJKSA-N 0 0 345.399 3.060 10 5 EGBERN COC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339731827 154947446 /nfs/dbraw/zinc/94/74/46/154947446.db2.gz WKNBWXHTWJWZMH-CQSZACIVSA-N 0 0 346.408 3.191 10 5 EGBERN CCc1nc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000340050041 155083166 /nfs/dbraw/zinc/08/31/66/155083166.db2.gz XDGKHPJDYJKFSE-UHFFFAOYSA-N 0 0 333.413 3.208 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccnc1 ZINC000345471702 156121058 /nfs/dbraw/zinc/12/10/58/156121058.db2.gz WYUAGQCCWJEOQK-LBPRGKRZSA-N 0 0 336.351 3.092 10 5 EGBERN Cc1cc(Cc2noc(-c3cnc4cnccc4c3)n2)ccc1[N+](=O)[O-] ZINC000346864123 156168152 /nfs/dbraw/zinc/16/81/52/156168152.db2.gz FSYPFUPDSSETHL-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOc1ccccc1 ZINC000348935830 156293439 /nfs/dbraw/zinc/29/34/39/156293439.db2.gz NQMUKTRQQHSRCK-CYBMUJFWSA-N 0 0 326.352 3.342 10 5 EGBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359931750 156839094 /nfs/dbraw/zinc/83/90/94/156839094.db2.gz CBMFRSPKJXMNPL-UHFFFAOYSA-N 0 0 345.380 3.042 10 5 EGBERN CCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000359933068 286585562 /nfs/dbraw/zinc/58/55/62/286585562.db2.gz JATAIQGKYHONTJ-LBPRGKRZSA-N 0 0 329.356 3.188 10 5 EGBERN Nc1c(C(=O)Nc2ccc(C3CCC3)cn2)cc(F)cc1[N+](=O)[O-] ZINC000360070432 156904157 /nfs/dbraw/zinc/90/41/57/156904157.db2.gz VAHQZTAENKBYMH-UHFFFAOYSA-N 0 0 330.319 3.231 10 5 EGBERN O=C(C[C@H]1CCOc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149273 161759992 /nfs/dbraw/zinc/75/99/92/161759992.db2.gz DEIAAWCNCOYDEX-CYBMUJFWSA-N 0 0 338.363 3.440 10 5 EGBERN COc1ccc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110450468 162127553 /nfs/dbraw/zinc/12/75/53/162127553.db2.gz NCSHSTLYVUYKEL-CABCVRRESA-N 0 0 326.352 3.137 10 5 EGBERN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000110526173 162130431 /nfs/dbraw/zinc/13/04/31/162130431.db2.gz UJYXHULLNNHGAD-CQSZACIVSA-N 0 0 346.412 3.213 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125175718 162266161 /nfs/dbraw/zinc/26/61/61/162266161.db2.gz FJHOVNPAWMKWCN-KRWDZBQOSA-N 0 0 348.424 3.499 10 5 EGBERN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000354314514 166001828 /nfs/dbraw/zinc/00/18/28/166001828.db2.gz BFSPSMPDZACCLT-HNNXBMFYSA-N 0 0 326.400 3.091 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CSC1(C)C ZINC000338492453 163244691 /nfs/dbraw/zinc/24/46/91/163244691.db2.gz WFFRMWXLIDXMRA-CABZTGNLSA-N 0 0 326.443 3.086 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccc(C)o1 ZINC000338579640 163281188 /nfs/dbraw/zinc/28/11/88/163281188.db2.gz PHHHRQXSRYCWGX-UHFFFAOYSA-N 0 0 341.371 3.411 10 5 EGBERN COc1ccc([N+](=O)[O-])c(NCc2ccnc(OC(F)F)c2)c1 ZINC000338723611 163331457 /nfs/dbraw/zinc/33/14/57/163331457.db2.gz ZZZYMSOONANSNU-UHFFFAOYSA-N 0 0 325.271 3.212 10 5 EGBERN COC(=O)c1csc(Sc2nc(C)cc(C)c2[N+](=O)[O-])n1 ZINC000338813223 163354888 /nfs/dbraw/zinc/35/48/88/163354888.db2.gz LRZJDVRROYMKOX-UHFFFAOYSA-N 0 0 325.371 3.001 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NC3CC(c4ccccc4Cl)C3)nn21 ZINC000338827094 163357965 /nfs/dbraw/zinc/35/79/65/163357965.db2.gz BZEFNDHHSNNFPF-UHFFFAOYSA-N 0 0 343.774 3.071 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000340222714 163512028 /nfs/dbraw/zinc/51/20/28/163512028.db2.gz SIUQDKTZHBDPES-WBMJQRKESA-N 0 0 325.368 3.135 10 5 EGBERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340552146 163606045 /nfs/dbraw/zinc/60/60/45/163606045.db2.gz BZKRBMVSHJMSBC-LBPRGKRZSA-N 0 0 342.351 3.133 10 5 EGBERN COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(OC)c1OC ZINC000340613409 163622768 /nfs/dbraw/zinc/62/27/68/163622768.db2.gz ZYWBLBVCBZXLFC-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN O=C(COc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000340703918 163649599 /nfs/dbraw/zinc/64/95/99/163649599.db2.gz CEIZNSLAMICKSY-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000341955110 163747155 /nfs/dbraw/zinc/74/71/55/163747155.db2.gz VFLSJPOCVDXZBQ-VGTOOOLASA-N 0 0 344.342 3.417 10 5 EGBERN Cc1nn(CCC(=O)Nc2ccc(F)c(C3CC3)c2)c(C)c1[N+](=O)[O-] ZINC000342133844 163795079 /nfs/dbraw/zinc/79/50/79/163795079.db2.gz CYCWDBQBWUPYBU-UHFFFAOYSA-N 0 0 346.362 3.453 10 5 EGBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342671268 163938311 /nfs/dbraw/zinc/93/83/11/163938311.db2.gz CHGJPOORCXTXMB-SJCJKPOMSA-N 0 0 335.404 3.294 10 5 EGBERN CCOc1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000344134033 164111785 /nfs/dbraw/zinc/11/17/85/164111785.db2.gz PRSPQEAKOWKCDC-LBPRGKRZSA-N 0 0 344.371 3.248 10 5 EGBERN Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccc([N+](=O)[O-])nc3)c2c1 ZINC000344211657 164128159 /nfs/dbraw/zinc/12/81/59/164128159.db2.gz OEWDTXVQQQNUQX-UHFFFAOYSA-N 0 0 338.367 3.375 10 5 EGBERN C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1cccnc1 ZINC000345989109 164311822 /nfs/dbraw/zinc/31/18/22/164311822.db2.gz JTSYMTFNSODIOC-STQMWFEESA-N 0 0 325.368 3.461 10 5 EGBERN C[C@H]1CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000346088698 164333937 /nfs/dbraw/zinc/33/39/37/164333937.db2.gz UJPSYVVQERLBAQ-QPUJVOFHSA-N 0 0 331.294 3.211 10 5 EGBERN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346346582 164372448 /nfs/dbraw/zinc/37/24/48/164372448.db2.gz ILQSOMTXEHPBML-INIZCTEOSA-N 0 0 329.356 3.081 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](C)Oc3ccccc3)no2)n1 ZINC000346424505 164384326 /nfs/dbraw/zinc/38/43/26/164384326.db2.gz KZXAQLYNBYHERO-JTQLQIEISA-N 0 0 329.316 3.001 10 5 EGBERN CCCCc1nc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000347781306 164575003 /nfs/dbraw/zinc/57/50/03/164575003.db2.gz HTBLOUUISVCGHI-UHFFFAOYSA-N 0 0 332.429 3.347 10 5 EGBERN CC(C)COCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348401644 164731814 /nfs/dbraw/zinc/73/18/14/164731814.db2.gz DHMOVFUCQMAGKM-UHFFFAOYSA-N 0 0 348.321 3.406 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351621558 165105191 /nfs/dbraw/zinc/10/51/91/165105191.db2.gz QFCQVCJMYCUVFJ-ABAIWWIYSA-N 0 0 339.367 3.187 10 5 EGBERN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000351970831 165173732 /nfs/dbraw/zinc/17/37/32/165173732.db2.gz JTIBKVCUVRZLIN-UHFFFAOYSA-N 0 0 346.383 3.253 10 5 EGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(OC)c1C(C)C ZINC000352104770 165238391 /nfs/dbraw/zinc/23/83/91/165238391.db2.gz BWNUKFTVOYIAMB-UHFFFAOYSA-N 0 0 333.344 3.316 10 5 EGBERN O=C(NCC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355131610 166114028 /nfs/dbraw/zinc/11/40/28/166114028.db2.gz ZVGJBRZTZWCZKG-SECBINFHSA-N 0 0 347.293 3.162 10 5 EGBERN Cc1cnc(COCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000355448551 166203064 /nfs/dbraw/zinc/20/30/64/166203064.db2.gz ONMHFRFXNZDDLJ-UHFFFAOYSA-N 0 0 347.371 3.344 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2-n2cccc2)n1 ZINC000355497372 166221526 /nfs/dbraw/zinc/22/15/26/166221526.db2.gz CPBRJOOJNBKRBM-UHFFFAOYSA-N 0 0 345.746 3.025 10 5 EGBERN O=C(NCc1ccc2cc[nH]c2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000355770461 166303200 /nfs/dbraw/zinc/30/32/00/166303200.db2.gz KMBDOZDKSUJZLH-UHFFFAOYSA-N 0 0 336.307 3.147 10 5 EGBERN Cc1cccnc1-c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000355834680 166323260 /nfs/dbraw/zinc/32/32/60/166323260.db2.gz AXDHESBENPOJIW-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CCOC)c2ccco2)cc1[N+](=O)[O-] ZINC000356072285 166392578 /nfs/dbraw/zinc/39/25/78/166392578.db2.gz GXOQLPGBFYWHDP-ZDUSSCGKSA-N 0 0 348.355 3.094 10 5 EGBERN Cc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(C)cc1Cl ZINC000356627615 166467568 /nfs/dbraw/zinc/46/75/68/166467568.db2.gz IFMQDBVDKJXPSV-UHFFFAOYSA-N 0 0 345.786 3.459 10 5 EGBERN C[C@@H](F)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356692894 166485337 /nfs/dbraw/zinc/48/53/37/166485337.db2.gz SENQPIVPUOZCQG-MRVPVSSYSA-N 0 0 338.257 3.014 10 5 EGBERN CCOc1cc(OCc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000358539517 166891719 /nfs/dbraw/zinc/89/17/19/166891719.db2.gz HXEHAKNXLUMPOR-UHFFFAOYSA-N 0 0 331.324 3.344 10 5 EGBERN O=C(NCCc1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358911056 167002675 /nfs/dbraw/zinc/00/26/75/167002675.db2.gz YWDLSBSTBBZLPR-UHFFFAOYSA-N 0 0 336.294 3.169 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000358940450 167013832 /nfs/dbraw/zinc/01/38/32/167013832.db2.gz PCGVYSLZLFICJI-GFCCVEGCSA-N 0 0 332.356 3.013 10 5 EGBERN O=C(Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358953847 167017480 /nfs/dbraw/zinc/01/74/80/167017480.db2.gz SVBNLFTWNDKLCZ-UHFFFAOYSA-N 0 0 348.265 3.325 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(-c2ccccc2)no1 ZINC000359041593 167046754 /nfs/dbraw/zinc/04/67/54/167046754.db2.gz BSRMDVOVZLYPME-UHFFFAOYSA-N 0 0 337.335 3.109 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000359051083 167050255 /nfs/dbraw/zinc/05/02/55/167050255.db2.gz MLURWOWRBGQNHF-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN CC[C@@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359063805 167055412 /nfs/dbraw/zinc/05/54/12/167055412.db2.gz GBWQVFSNVCOHGM-IUODEOHRSA-N 0 0 335.404 3.255 10 5 EGBERN CCc1cnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000359064392 167055559 /nfs/dbraw/zinc/05/55/59/167055559.db2.gz HHCFKOKZCFXNHK-UHFFFAOYSA-N 0 0 343.311 3.467 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359196514 167093250 /nfs/dbraw/zinc/09/32/50/167093250.db2.gz LULGUZBAHLFZST-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN CCN(Cc1cn(C)nn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000359301476 167119456 /nfs/dbraw/zinc/11/94/56/167119456.db2.gz NKVPYIRRYUDBLP-UHFFFAOYSA-N 0 0 341.371 3.005 10 5 EGBERN O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000359344088 167132105 /nfs/dbraw/zinc/13/21/05/167132105.db2.gz CDKNAUPIJOTSPB-UHFFFAOYSA-N 0 0 332.366 3.427 10 5 EGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000359696309 167211073 /nfs/dbraw/zinc/21/10/73/167211073.db2.gz OLEQRRBIFHSZQX-UHFFFAOYSA-N 0 0 346.339 3.011 10 5 EGBERN CNC(=O)c1ccc(Cl)cc1NCc1csc([N+](=O)[O-])c1 ZINC000360379988 167316173 /nfs/dbraw/zinc/31/61/73/167316173.db2.gz VBHRJLJDOAYXGE-UHFFFAOYSA-N 0 0 325.777 3.281 10 5 EGBERN Cc1c(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] ZINC000360525516 167349581 /nfs/dbraw/zinc/34/95/81/167349581.db2.gz PBMPCEQINSGBAZ-MRXNPFEDSA-N 0 0 346.770 3.177 10 5 EGBERN CCc1nn(C)c(Nc2ccc(NC(=O)C(C)C)cc2)c1[N+](=O)[O-] ZINC000360842969 167428340 /nfs/dbraw/zinc/42/83/40/167428340.db2.gz RJMLFJVKSPKFPX-UHFFFAOYSA-N 0 0 331.376 3.229 10 5 EGBERN CNc1c(C(=O)N[C@H](C)c2c(F)cccc2OC)cccc1[N+](=O)[O-] ZINC000361213212 167558135 /nfs/dbraw/zinc/55/81/35/167558135.db2.gz QCKKQHQSKTXPPF-SNVBAGLBSA-N 0 0 347.346 3.275 10 5 EGBERN CC(C)(C)c1csc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365817249 168047039 /nfs/dbraw/zinc/04/70/39/168047039.db2.gz ACSZGNCWIFXSNY-UHFFFAOYSA-N 0 0 349.460 3.382 10 5 EGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000367212977 168193960 /nfs/dbraw/zinc/19/39/60/168193960.db2.gz LHIUONDGURRDSX-QXMXGUDHSA-N 0 0 330.363 3.382 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000367561761 168242189 /nfs/dbraw/zinc/24/21/89/168242189.db2.gz CKCYHKKZAYGOKO-PBHICJAKSA-N 0 0 326.352 3.102 10 5 EGBERN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000367561762 168242407 /nfs/dbraw/zinc/24/24/07/168242407.db2.gz CKCYHKKZAYGOKO-RHSMWYFYSA-N 0 0 326.352 3.102 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000367781252 168269561 /nfs/dbraw/zinc/26/95/61/168269561.db2.gz HPMKUSYSGXUEQM-CYBMUJFWSA-N 0 0 345.786 3.348 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000171507885 227116458 /nfs/dbraw/zinc/11/64/58/227116458.db2.gz FMNREGQQMBONJS-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000017320352 299853123 /nfs/dbraw/zinc/85/31/23/299853123.db2.gz WCXBYTUPZHZRDH-AWEZNQCLSA-N 0 0 331.416 3.457 10 5 EGBERN CCCCc1noc([C@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000088606379 264706713 /nfs/dbraw/zinc/70/67/13/264706713.db2.gz MEWORHGSEYRIFP-LBPRGKRZSA-N 0 0 330.388 3.440 10 5 EGBERN CC(C)=CCC[C@]1(C)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000153744344 264797277 /nfs/dbraw/zinc/79/72/77/264797277.db2.gz JWIICGCIYZSIEM-HNNXBMFYSA-N 0 0 337.401 3.213 10 5 EGBERN CCOc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000175446957 265114902 /nfs/dbraw/zinc/11/49/02/265114902.db2.gz ZHXBDLLTHZWJAD-NWDGAFQWSA-N 0 0 336.388 3.263 10 5 EGBERN Cc1nc2sc3c(c2c(-n2cc([N+](=O)[O-])cn2)n1)CC[C@@H](C)C3 ZINC000176835165 265208422 /nfs/dbraw/zinc/20/84/22/265208422.db2.gz XLYTVRMEVQGCIJ-MRVPVSSYSA-N 0 0 329.385 3.218 10 5 EGBERN CC(C)n1nnnc1CSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176908309 265213862 /nfs/dbraw/zinc/21/38/62/265213862.db2.gz JZUGXNXQOIBCAW-UHFFFAOYSA-N 0 0 327.797 3.249 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000176952968 265217461 /nfs/dbraw/zinc/21/74/61/265217461.db2.gz ASUXRBSAMYGKCN-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN COCC(=O)Nc1ccc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178177826 265298743 /nfs/dbraw/zinc/29/87/43/265298743.db2.gz JENTVZKOYLUYJU-GFCCVEGCSA-N 0 0 330.340 3.320 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000178592550 265327486 /nfs/dbraw/zinc/32/74/86/265327486.db2.gz IDZAJZMLSYDWTL-UHFFFAOYSA-N 0 0 348.786 3.424 10 5 EGBERN O=C1NCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000178788482 265342425 /nfs/dbraw/zinc/34/24/25/265342425.db2.gz HOZYYKVRFOPATO-JTQLQIEISA-N 0 0 335.410 3.108 10 5 EGBERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000183629072 265444138 /nfs/dbraw/zinc/44/41/38/265444138.db2.gz FAUYZJKZDQYLIS-ZDUSSCGKSA-N 0 0 345.424 3.397 10 5 EGBERN COc1cc(Br)ccc1CNc1ncc([N+](=O)[O-])s1 ZINC000192539077 265975695 /nfs/dbraw/zinc/97/56/95/265975695.db2.gz AGZMVQWEPMFTGJ-UHFFFAOYSA-N 0 0 344.190 3.435 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000193637686 266049827 /nfs/dbraw/zinc/04/98/27/266049827.db2.gz BFBSDOREMBUVJH-RYUDHWBXSA-N 0 0 347.371 3.183 10 5 EGBERN CC(C)(C(=O)Nc1nnc(C2CCC2)[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000273881961 267132610 /nfs/dbraw/zinc/13/26/10/267132610.db2.gz SSPRZYRAEMVICV-UHFFFAOYSA-N 0 0 347.350 3.036 10 5 EGBERN CCOCCC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCCC1 ZINC000274023877 267167357 /nfs/dbraw/zinc/16/73/57/267167357.db2.gz TULKPRQNDFZJBE-UHFFFAOYSA-N 0 0 346.387 3.202 10 5 EGBERN CCc1nnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000274166664 267191947 /nfs/dbraw/zinc/19/19/47/267191947.db2.gz ZZDHQMZQZZKYOW-UHFFFAOYSA-N 0 0 326.765 3.223 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000274324729 267217982 /nfs/dbraw/zinc/21/79/82/267217982.db2.gz ZPZQSXZFPKPQSB-XJKSGUPXSA-N 0 0 349.431 3.472 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(N2CCOCC2)n1 ZINC000274742927 267280069 /nfs/dbraw/zinc/28/00/69/267280069.db2.gz FOLIJQQLFHDANK-UHFFFAOYSA-N 0 0 348.790 3.092 10 5 EGBERN COC(=O)CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000275220486 267331665 /nfs/dbraw/zinc/33/16/65/267331665.db2.gz CZVDEJZJZCKVPM-UHFFFAOYSA-N 0 0 336.388 3.065 10 5 EGBERN O=[N+]([O-])c1ccc(Br)c(OC[C@@H](O)CC(F)(F)F)c1 ZINC000276181714 267491166 /nfs/dbraw/zinc/49/11/66/267491166.db2.gz GUMIXYJGAOOLKO-ZETCQYMHSA-N 0 0 344.083 3.049 10 5 EGBERN C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000276538389 267568359 /nfs/dbraw/zinc/56/83/59/267568359.db2.gz CVLRHCQSPVBAFG-DYVFJYSZSA-N 0 0 337.383 3.427 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](c3ccsc3)C1)CCN2 ZINC000278475470 268021443 /nfs/dbraw/zinc/02/14/43/268021443.db2.gz UYCHUIVMEKMUKW-HNNXBMFYSA-N 0 0 331.397 3.202 10 5 EGBERN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000345107393 275002086 /nfs/dbraw/zinc/00/20/86/275002086.db2.gz QTBVEASOORJMFR-UHFFFAOYSA-N 0 0 339.233 3.070 10 5 EGBERN CN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181787935 275209326 /nfs/dbraw/zinc/20/93/26/275209326.db2.gz UPCIWFYXRRDASJ-JTQLQIEISA-N 0 0 347.293 3.256 10 5 EGBERN CC(C)Cc1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184987053 275214360 /nfs/dbraw/zinc/21/43/60/275214360.db2.gz DRKOXHPKANIGEL-UHFFFAOYSA-N 0 0 328.328 3.304 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000194808938 275226557 /nfs/dbraw/zinc/22/65/57/275226557.db2.gz FFUJMNNDQMHXLK-UHFFFAOYSA-N 0 0 349.774 3.103 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000194879151 275228936 /nfs/dbraw/zinc/22/89/36/275228936.db2.gz HLCCLWVKDBAOHU-GXFFZTMASA-N 0 0 329.356 3.063 10 5 EGBERN CCCn1ncnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000279132396 275306662 /nfs/dbraw/zinc/30/66/62/275306662.db2.gz WLXAMHQMEBVGLO-UHFFFAOYSA-N 0 0 330.266 3.194 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cccc2[C@H]1C ZINC000184968557 275399989 /nfs/dbraw/zinc/39/99/89/275399989.db2.gz GDAQVYGQESECIU-XTZCOPOCSA-N 0 0 325.368 3.403 10 5 EGBERN Cc1c(NC(=O)C[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280570305 275466644 /nfs/dbraw/zinc/46/66/44/275466644.db2.gz KJOULTGJWRUUQF-SNVBAGLBSA-N 0 0 343.177 3.173 10 5 EGBERN CC[C@@H](C)OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280780161 275494929 /nfs/dbraw/zinc/49/49/29/275494929.db2.gz SEYRETGUEPDIPX-MRVPVSSYSA-N 0 0 345.193 3.419 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000281260010 275534573 /nfs/dbraw/zinc/53/45/73/275534573.db2.gz FHELMGSPDOBZCN-INIZCTEOSA-N 0 0 343.387 3.396 10 5 EGBERN CC[C@H](NC(=O)NCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000282348076 275624727 /nfs/dbraw/zinc/62/47/27/275624727.db2.gz ACUKQNIOFJHSMJ-HNNXBMFYSA-N 0 0 335.404 3.162 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000285654812 275899994 /nfs/dbraw/zinc/89/99/94/275899994.db2.gz OKIYECIHJIVDSP-NSHDSACASA-N 0 0 345.355 3.267 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@H]1CC(F)F ZINC000285824367 275917203 /nfs/dbraw/zinc/91/72/03/275917203.db2.gz VRJDJSOEBVNHAM-SECBINFHSA-N 0 0 349.721 3.136 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000285832341 275917752 /nfs/dbraw/zinc/91/77/52/275917752.db2.gz ZXDZLOWWSMQYBN-LBPRGKRZSA-N 0 0 347.396 3.488 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000187473585 276049077 /nfs/dbraw/zinc/04/90/77/276049077.db2.gz SHLSEKVPQJYQSL-OAHLLOKOSA-N 0 0 331.416 3.029 10 5 EGBERN COCc1nc(Cc2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cs1 ZINC000289178284 276300438 /nfs/dbraw/zinc/30/04/38/276300438.db2.gz SMGAPPSIMZYPHC-UHFFFAOYSA-N 0 0 346.368 3.147 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000373646558 276576790 /nfs/dbraw/zinc/57/67/90/276576790.db2.gz XHZRTGFFLHNEBX-DOMZBBRYSA-N 0 0 326.780 3.023 10 5 EGBERN CC(C)(CCc1noc(-c2cnc(-c3ccncc3)s2)n1)[N+](=O)[O-] ZINC000291096718 276588434 /nfs/dbraw/zinc/58/84/34/276588434.db2.gz QNEODKBGEZUNFV-UHFFFAOYSA-N 0 0 345.384 3.243 10 5 EGBERN CC(C)(CCc1noc(CCC(=O)c2cccc(F)c2)n1)[N+](=O)[O-] ZINC000291133156 276594332 /nfs/dbraw/zinc/59/43/32/276594332.db2.gz WROKLVPYVPRVMK-UHFFFAOYSA-N 0 0 335.335 3.012 10 5 EGBERN Cc1cnn([C@H]2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000291597807 276664609 /nfs/dbraw/zinc/66/46/09/276664609.db2.gz FYCFERPXCLHCMS-ZDUSSCGKSA-N 0 0 348.790 3.149 10 5 EGBERN CCc1nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)sc1C ZINC000341288194 276700885 /nfs/dbraw/zinc/70/08/85/276700885.db2.gz TWLYPIOIDLWOHD-UHFFFAOYSA-N 0 0 341.339 3.382 10 5 EGBERN COc1cc(NCC[C@H](OC)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000344973756 277832769 /nfs/dbraw/zinc/83/27/69/277832769.db2.gz BRSQPFFWWOIXSQ-NSHDSACASA-N 0 0 326.246 3.122 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2nccnc2c1 ZINC000348912781 279013038 /nfs/dbraw/zinc/01/30/38/279013038.db2.gz TWVFKWOMTAFBIS-LLVKDONJSA-N 0 0 334.335 3.129 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000075389397 279109543 /nfs/dbraw/zinc/10/95/43/279109543.db2.gz IRPFIXFKKKXZHE-GXTWGEPZSA-N 0 0 346.387 3.083 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCSC3)cc2[N+](=O)[O-])C1 ZINC000361988294 279671986 /nfs/dbraw/zinc/67/19/86/279671986.db2.gz NXWZGOCNANBMFM-JSGCOSHPSA-N 0 0 349.456 3.066 10 5 EGBERN C[C@H]1c2ccccc2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352152478 280127666 /nfs/dbraw/zinc/12/76/66/280127666.db2.gz FHFFTHPQMUZPSS-JTQLQIEISA-N 0 0 326.308 3.041 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CC(N)=O)c2cccc(Cl)c2)n1 ZINC000359095803 280399861 /nfs/dbraw/zinc/39/98/61/280399861.db2.gz NUYCHMVHRFJXKG-CYBMUJFWSA-N 0 0 348.790 3.289 10 5 EGBERN CC(C)c1nc([C@@H]2CCCCCN2c2ncc([N+](=O)[O-])cn2)no1 ZINC000364993062 280667003 /nfs/dbraw/zinc/66/70/03/280667003.db2.gz WHWRQLFRHUDDJJ-LBPRGKRZSA-N 0 0 332.364 3.013 10 5 EGBERN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000249263625 288257767 /nfs/dbraw/zinc/25/77/67/288257767.db2.gz HPNVIXJNBLTOSB-DIFFPNOSSA-N 0 0 331.347 3.283 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)NC3=O)cc1 ZINC000004928962 280723305 /nfs/dbraw/zinc/72/33/05/280723305.db2.gz BFDLSYOWQBIKPA-OAHLLOKOSA-N 0 0 334.335 3.126 10 5 EGBERN Cc1nc(N2CCC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000364346006 281926071 /nfs/dbraw/zinc/92/60/71/281926071.db2.gz GJBIJGLTMPTLHY-SFHVURJKSA-N 0 0 325.368 3.324 10 5 EGBERN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000193455484 297077722 /nfs/dbraw/zinc/07/77/22/297077722.db2.gz HPNVIXJNBLTOSB-PIGZYNQJSA-N 0 0 331.347 3.283 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCSc1ccc(F)cc1 ZINC000052894402 307334030 /nfs/dbraw/zinc/33/40/30/307334030.db2.gz QSLTYSYWMMIHOW-UHFFFAOYSA-N 0 0 349.387 3.350 10 5 EGBERN Cc1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000075335397 307399206 /nfs/dbraw/zinc/39/92/06/307399206.db2.gz BWNRSGISXQOCHS-UHFFFAOYSA-N 0 0 330.369 3.079 10 5 EGBERN CCc1cc(C)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000120444878 307506853 /nfs/dbraw/zinc/50/68/53/307506853.db2.gz NLUQPGVXFKRGOL-UHFFFAOYSA-N 0 0 346.339 3.472 10 5 EGBERN C[C@H](NC(=O)NCCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000129665489 307617930 /nfs/dbraw/zinc/61/79/30/307617930.db2.gz KSNZIAOYIIJHNJ-ZQIUZPCESA-N 0 0 349.431 3.286 10 5 EGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130611016 307631512 /nfs/dbraw/zinc/63/15/12/307631512.db2.gz WROOWXCYLIYTIH-UHFFFAOYSA-N 0 0 349.346 3.355 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000132612309 307660231 /nfs/dbraw/zinc/66/02/31/307660231.db2.gz VJILNVHAWFVUKC-UHFFFAOYSA-N 0 0 333.413 3.074 10 5 EGBERN COc1cc(C)cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000157464816 307846275 /nfs/dbraw/zinc/84/62/75/307846275.db2.gz IEANTPZXTRDVAG-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000160472731 307890349 /nfs/dbraw/zinc/89/03/49/307890349.db2.gz FVPRSGZVRNJURS-ZDUSSCGKSA-N 0 0 328.368 3.312 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000292946877 308082981 /nfs/dbraw/zinc/08/29/81/308082981.db2.gz KGQRZWTYWSFXSW-LLVKDONJSA-N 0 0 347.318 3.453 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414468321 309082069 /nfs/dbraw/zinc/08/20/69/309082069.db2.gz CUOBYIJVWZKEGJ-MLGOLLRUSA-N 0 0 332.381 3.199 10 5 EGBERN CO[C@@H]1CCCC[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293741212 308157717 /nfs/dbraw/zinc/15/77/17/308157717.db2.gz PWOYRWWTBMXATA-DLBZAZTESA-N 0 0 332.400 3.291 10 5 EGBERN CC(=O)c1cccc(NC(=O)[C@@H](C(C)C)n2cc([N+](=O)[O-])c(C)n2)c1 ZINC000295136938 308295826 /nfs/dbraw/zinc/29/58/26/308295826.db2.gz DEFUZIWZVKPYCC-MRXNPFEDSA-N 0 0 344.371 3.138 10 5 EGBERN CC[C@H](C)c1nnc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000295144067 308296620 /nfs/dbraw/zinc/29/66/20/308296620.db2.gz ZYRZGNULCINYJA-IUCAKERBSA-N 0 0 329.364 3.276 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000295497213 308332605 /nfs/dbraw/zinc/33/26/05/308332605.db2.gz JUOSRMOTTUWKSD-QGZVFWFLSA-N 0 0 335.379 3.159 10 5 EGBERN Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000296828770 308471308 /nfs/dbraw/zinc/47/13/08/308471308.db2.gz HJXXDOGRKZVWTE-ZJUUUORDSA-N 0 0 345.321 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000299688225 308684521 /nfs/dbraw/zinc/68/45/21/308684521.db2.gz YQAMRJLWSRWONT-HNNXBMFYSA-N 0 0 339.395 3.160 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cc(Cl)cc(Cl)c1 ZINC000301076672 308687371 /nfs/dbraw/zinc/68/73/71/308687371.db2.gz HESBPWIJKQOGFP-UHFFFAOYSA-N 0 0 328.111 3.188 10 5 EGBERN CNC(=O)c1ccc(Nc2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000301139140 308689579 /nfs/dbraw/zinc/68/95/79/308689579.db2.gz GDTCYYCQHKAPMO-UHFFFAOYSA-N 0 0 327.340 3.023 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301256237 308693744 /nfs/dbraw/zinc/69/37/44/308693744.db2.gz DMJWDAOMSMVSBI-UHFFFAOYSA-N 0 0 349.337 3.208 10 5 EGBERN CCc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301347541 308697335 /nfs/dbraw/zinc/69/73/35/308697335.db2.gz UEXOEYXFLCBGHP-UHFFFAOYSA-N 0 0 327.340 3.100 10 5 EGBERN O=[N+]([O-])c1c(N(C[C@H]2CCCO2)C2CCCC2)nc2sccn21 ZINC000301363789 308697810 /nfs/dbraw/zinc/69/78/10/308697810.db2.gz PIMAIACPJHSYMQ-GFCCVEGCSA-N 0 0 336.417 3.232 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000301419246 308699456 /nfs/dbraw/zinc/69/94/56/308699456.db2.gz DFAIITIMYWLRGP-CQSZACIVSA-N 0 0 342.399 3.245 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H]1O ZINC000301470820 308701601 /nfs/dbraw/zinc/70/16/01/308701601.db2.gz OZBQELWAFBWYKA-CPCISQLKSA-N 0 0 349.265 3.095 10 5 EGBERN CCOc1cc(N[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301530122 308703959 /nfs/dbraw/zinc/70/39/59/308703959.db2.gz OYFJTBBDLOHYKO-OAHLLOKOSA-N 0 0 341.367 3.211 10 5 EGBERN Cc1cc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000301660453 308709679 /nfs/dbraw/zinc/70/96/79/308709679.db2.gz JSSZOCBCQQCJPN-MRXNPFEDSA-N 0 0 331.347 3.140 10 5 EGBERN Cc1cc([C@H]2CN(c3nccc(C)c3[N+](=O)[O-])CCO2)ccc1F ZINC000301860684 308718809 /nfs/dbraw/zinc/71/88/09/308718809.db2.gz CFKYNYAXJOZISE-OAHLLOKOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1cc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])ccc1N(C)C ZINC000301867752 308719191 /nfs/dbraw/zinc/71/91/91/308719191.db2.gz GNBFSHCQIYWTMS-UHFFFAOYSA-N 0 0 349.412 3.116 10 5 EGBERN CCS[C@@H]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301878118 308719600 /nfs/dbraw/zinc/71/96/00/308719600.db2.gz JFQJLCJMKBAWLV-GHMZBOCLSA-N 0 0 344.458 3.084 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(Cl)cn1 ZINC000302001333 308724722 /nfs/dbraw/zinc/72/47/22/308724722.db2.gz JFKIUOGWFOUSIH-UHFFFAOYSA-N 0 0 343.568 3.413 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000302032472 308726037 /nfs/dbraw/zinc/72/60/37/308726037.db2.gz KQRKDAQXVZESOE-CYBMUJFWSA-N 0 0 348.786 3.398 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(-c3ccccc3)c2)c1 ZINC000302126936 308729994 /nfs/dbraw/zinc/72/99/94/308729994.db2.gz ZYEHNZSOCRKQCZ-UHFFFAOYSA-N 0 0 338.323 3.311 10 5 EGBERN Cc1cc(NC[C@@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000302627653 308740819 /nfs/dbraw/zinc/74/08/19/308740819.db2.gz BHLKBLXJWURCQI-GFCCVEGCSA-N 0 0 331.210 3.485 10 5 EGBERN C[C@@H](C(=O)Nc1cccc(CCCO)c1)c1cccc([N+](=O)[O-])c1 ZINC000326119294 308770613 /nfs/dbraw/zinc/77/06/13/308770613.db2.gz LPEDUCVKBWXZBF-CYBMUJFWSA-N 0 0 328.368 3.262 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000412465855 308987562 /nfs/dbraw/zinc/98/75/62/308987562.db2.gz UNLWKNATNPYVKF-KRWDZBQOSA-N 0 0 348.399 3.023 10 5 EGBERN Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000412944982 309009220 /nfs/dbraw/zinc/00/92/20/309009220.db2.gz OSAFZZGHFVVLHC-AWEZNQCLSA-N 0 0 343.358 3.051 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c(F)c1 ZINC000413295051 309025505 /nfs/dbraw/zinc/02/55/05/309025505.db2.gz OQMOKJFTIPCBKE-HAQNSBGRSA-N 0 0 331.351 3.359 10 5 EGBERN CO[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)C ZINC000413494843 309034357 /nfs/dbraw/zinc/03/43/57/309034357.db2.gz OMZSZJFYYIFNDU-CYBMUJFWSA-N 0 0 338.404 3.268 10 5 EGBERN COC(=O)c1cc(NCC(C)(C)OCC2CC2)cc(C)c1[N+](=O)[O-] ZINC000413509713 309034939 /nfs/dbraw/zinc/03/49/39/309034939.db2.gz HSIYVOLPCJWSPS-UHFFFAOYSA-N 0 0 336.388 3.307 10 5 EGBERN CCN(C1CCCC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416368274 309170268 /nfs/dbraw/zinc/17/02/68/309170268.db2.gz GPCAULYCWHOQEG-UHFFFAOYSA-N 0 0 326.418 3.165 10 5 EGBERN C[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416591991 309174383 /nfs/dbraw/zinc/17/43/83/309174383.db2.gz ODEUZSCQXNYFMS-SUMWQHHRSA-N 0 0 346.408 3.340 10 5 EGBERN COC1(C(F)(F)F)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418979922 309259223 /nfs/dbraw/zinc/25/92/23/309259223.db2.gz CYZHFJFSDRJQSN-UHFFFAOYSA-N 0 0 344.293 3.019 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1NCCCCOCc1ccccc1 ZINC000420578710 309289417 /nfs/dbraw/zinc/28/94/17/309289417.db2.gz BMAANQYFGNIPBO-UHFFFAOYSA-N 0 0 343.383 3.103 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000420820935 309296509 /nfs/dbraw/zinc/29/65/09/309296509.db2.gz NABJSCCTQMUBIK-OCCSQVGLSA-N 0 0 349.456 3.488 10 5 EGBERN CN(C(=O)[C@H]1CC12CC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000421520013 309328247 /nfs/dbraw/zinc/32/82/47/309328247.db2.gz WYRJZZIJPTYBFJ-LLVKDONJSA-N 0 0 329.381 3.481 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000421568543 309330056 /nfs/dbraw/zinc/33/00/56/309330056.db2.gz HQSGKRMSKQBFNM-DZASIIFFSA-N 0 0 326.396 3.496 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC12CCSCC2 ZINC000421584420 309330758 /nfs/dbraw/zinc/33/07/58/309330758.db2.gz BHIRBPHLOWKPKA-CYBMUJFWSA-N 0 0 349.456 3.046 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000422173539 309356678 /nfs/dbraw/zinc/35/66/78/309356678.db2.gz HIODGNXQJJTULR-HOTGVXAUSA-N 0 0 347.415 3.135 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000422242909 309359005 /nfs/dbraw/zinc/35/90/05/309359005.db2.gz VSNQTKWSGWAEMY-DOTOQJQBSA-N 0 0 349.431 3.472 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424975864 309460665 /nfs/dbraw/zinc/46/06/65/309460665.db2.gz UKXCKTKBLQYVOA-SJLPKXTDSA-N 0 0 343.358 3.150 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424997761 309461411 /nfs/dbraw/zinc/46/14/11/309461411.db2.gz JYIOHPWUQPZCEZ-SJLPKXTDSA-N 0 0 344.342 3.117 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCC2CCCC2)n1 ZINC000427391587 309528213 /nfs/dbraw/zinc/52/82/13/309528213.db2.gz ONSLVWCCUDIQEO-CQSZACIVSA-N 0 0 334.420 3.386 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000428209709 309544514 /nfs/dbraw/zinc/54/45/14/309544514.db2.gz YXHRXZRJVWGTOO-UHFFFAOYSA-N 0 0 328.368 3.249 10 5 EGBERN O=[N+]([O-])c1cccc2c(N3CCC[C@@H]([C@H]4CCOC4)C3)ccnc21 ZINC000432313638 309656955 /nfs/dbraw/zinc/65/69/55/309656955.db2.gz OEPLWAJKEBFIFP-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438154662 309808291 /nfs/dbraw/zinc/80/82/91/309808291.db2.gz LXQOIEDVFAGDTN-YHAQOWFVSA-N 0 0 332.381 3.339 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000438966902 309823522 /nfs/dbraw/zinc/82/35/22/309823522.db2.gz LQXWHEWBUPIXCL-UHFFFAOYSA-N 0 0 328.372 3.432 10 5 EGBERN C/C(=C\c1nc(-c2cnc3cnccn32)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445510432 309942600 /nfs/dbraw/zinc/94/26/00/309942600.db2.gz FMDMJDFFTOMGEX-DHZHZOJOSA-N 0 0 348.322 3.248 10 5 EGBERN Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3ccccc3F)n2)n1C ZINC000445616741 309944553 /nfs/dbraw/zinc/94/45/53/309944553.db2.gz UIRAKXRNLIDCHE-UHFFFAOYSA-N 0 0 345.334 3.152 10 5 EGBERN CCCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447691467 309985801 /nfs/dbraw/zinc/98/58/01/309985801.db2.gz RTANYTDROUUUJZ-UHFFFAOYSA-N 0 0 326.356 3.294 10 5 EGBERN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000448398049 310003643 /nfs/dbraw/zinc/00/36/43/310003643.db2.gz ZEIOQQYJBJARTG-UTLUCORTSA-N 0 0 346.305 3.252 10 5 EGBERN O=C(Nc1cc(-c2ccccc2F)on1)c1ccc([N+](=O)[O-])cc1F ZINC000448490907 310004629 /nfs/dbraw/zinc/00/46/29/310004629.db2.gz FCYHBUPYAJVVPC-UHFFFAOYSA-N 0 0 345.261 3.202 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@@H](C4CC4)C3)n2)cc1 ZINC000448966186 310026233 /nfs/dbraw/zinc/02/62/33/310026233.db2.gz KRCKQMUFZNPENU-OAHLLOKOSA-N 0 0 331.397 3.334 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1Cc2cccc(C)c2O1)c1cccc([N+](=O)[O-])c1 ZINC000450052747 310100950 /nfs/dbraw/zinc/10/09/50/310100950.db2.gz MPMAFMJFPBJTEX-IRXDYDNUSA-N 0 0 340.379 3.474 10 5 EGBERN Cc1ccncc1N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450503781 310127060 /nfs/dbraw/zinc/12/70/60/310127060.db2.gz WKXNVAMZRQNKIG-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN C[C@H]1CC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203484 310165848 /nfs/dbraw/zinc/16/58/48/310165848.db2.gz ZEAWBZDELAVAHF-ZDUSSCGKSA-N 0 0 340.383 3.185 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264768 310168633 /nfs/dbraw/zinc/16/86/33/310168633.db2.gz NIYNUWYNHCKJMT-LJHODMEESA-N 0 0 344.386 3.456 10 5 EGBERN O=C(CN1CC2(CCC2)[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000451860498 310200820 /nfs/dbraw/zinc/20/08/20/310200820.db2.gz UGHBPQWWHNWLOC-QGZVFWFLSA-N 0 0 341.367 3.354 10 5 EGBERN CSc1ccc(C(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000452210135 310218818 /nfs/dbraw/zinc/21/88/18/310218818.db2.gz TZXKMEWSHABZRF-UHFFFAOYSA-N 0 0 338.429 3.253 10 5 EGBERN Cc1c(CC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000452609106 310234543 /nfs/dbraw/zinc/23/45/43/310234543.db2.gz XYIGKUFJGAWKCR-OLMMMNRUSA-N 0 0 326.396 3.116 10 5 EGBERN O=C(NCC1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452791211 310242050 /nfs/dbraw/zinc/24/20/50/310242050.db2.gz GIIJTWANDIFEFE-UHFFFAOYSA-N 0 0 334.372 3.066 10 5 EGBERN CCOc1ccc(C(=O)NCC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000452792133 310242053 /nfs/dbraw/zinc/24/20/53/310242053.db2.gz QCLPRGUJYFPSMS-UHFFFAOYSA-N 0 0 343.383 3.096 10 5 EGBERN COc1cc(OCC(=O)NCC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000452794615 310242220 /nfs/dbraw/zinc/24/22/20/310242220.db2.gz OZDSESNGECUTAU-UHFFFAOYSA-N 0 0 336.388 3.069 10 5 EGBERN CCc1onc(C)c1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864432 310246389 /nfs/dbraw/zinc/24/63/89/310246389.db2.gz WGWFJKOWODIJRN-CQSZACIVSA-N 0 0 343.383 3.473 10 5 EGBERN C[C@@]1(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCCOC1 ZINC000453239566 310266100 /nfs/dbraw/zinc/26/61/00/310266100.db2.gz PZYIIVVBINNCHO-QGZVFWFLSA-N 0 0 344.371 3.071 10 5 EGBERN Cc1cc(-c2noc(C(C)(C)c3cnn(C)c3)n2)cc([N+](=O)[O-])c1 ZINC000453300096 310269755 /nfs/dbraw/zinc/26/97/55/310269755.db2.gz YPIIGWINNOOEBF-UHFFFAOYSA-N 0 0 327.344 3.013 10 5 EGBERN Cc1c(NC(=O)N2CCOC[C@@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000454192211 310296335 /nfs/dbraw/zinc/29/63/35/310296335.db2.gz BCDQWWPRXDYZRJ-AWEZNQCLSA-N 0 0 333.388 3.326 10 5 EGBERN Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000454200302 310296825 /nfs/dbraw/zinc/29/68/25/310296825.db2.gz OAPWKKUPMNNEEM-XKQJLSEDSA-N 0 0 347.415 3.451 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000455180492 310348987 /nfs/dbraw/zinc/34/89/87/310348987.db2.gz INZQFRIKVUZSIZ-CZUORRHYSA-N 0 0 335.404 3.476 10 5 EGBERN Cc1c(NC(=O)N2CC[C@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455357254 310357244 /nfs/dbraw/zinc/35/72/44/310357244.db2.gz QOVJXCGLYMWVIF-VIFPVBQESA-N 0 0 346.156 3.241 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000455624159 310370072 /nfs/dbraw/zinc/37/00/72/310370072.db2.gz NDESQWKRZKGWTK-BZUAXINKSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C2CCC2)CCC1 ZINC000456045416 310386335 /nfs/dbraw/zinc/38/63/35/310386335.db2.gz RBOXUQNRHUSKQB-UHFFFAOYSA-N 0 0 328.372 3.058 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCC1 ZINC000456141603 310390365 /nfs/dbraw/zinc/39/03/65/310390365.db2.gz CTRJTIVHGQOHHF-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC12CCC(CC1)CC2 ZINC000456285931 310396670 /nfs/dbraw/zinc/39/66/70/310396670.db2.gz RMNUEBGTIMVGOK-UHFFFAOYSA-N 0 0 330.384 3.397 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](OC(C)C)C1 ZINC000457874260 310476381 /nfs/dbraw/zinc/47/63/81/310476381.db2.gz QQPKEGZSWMCZOJ-TXEJJXNPSA-N 0 0 326.780 3.242 10 5 EGBERN COc1ccc(C(=O)NC2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000458143705 310488061 /nfs/dbraw/zinc/48/80/61/310488061.db2.gz KRUVSZDMXGKYHE-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN CO[C@H]1C[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000458195415 310490781 /nfs/dbraw/zinc/49/07/81/310490781.db2.gz PRVNOFRAQYJBPE-OLZOCXBDSA-N 0 0 338.791 3.244 10 5 EGBERN CC(=O)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cs1 ZINC000459985407 310578651 /nfs/dbraw/zinc/57/86/51/310578651.db2.gz JIVOIKHDZFUTFM-SECBINFHSA-N 0 0 330.365 3.450 10 5 EGBERN CCCN(CC1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460191404 310580683 /nfs/dbraw/zinc/58/06/83/310580683.db2.gz SZYULNDEARTJOQ-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CC(C)c1cccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000462358390 310598728 /nfs/dbraw/zinc/59/87/28/310598728.db2.gz LLVCODUJQLVPAL-UHFFFAOYSA-N 0 0 346.408 3.470 10 5 EGBERN CC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000468900362 310695646 /nfs/dbraw/zinc/69/56/46/310695646.db2.gz JAOJMSAECAPHQU-CABZTGNLSA-N 0 0 333.310 3.242 10 5 EGBERN Cc1ccncc1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487739021 311036272 /nfs/dbraw/zinc/03/62/72/311036272.db2.gz NGQJIVFFNURNJL-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000487835705 311039308 /nfs/dbraw/zinc/03/93/08/311039308.db2.gz KZIZVPODCATACM-CQSZACIVSA-N 0 0 328.372 3.087 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488111802 311051689 /nfs/dbraw/zinc/05/16/89/311051689.db2.gz GMXQRFPYBKSKMN-LBPRGKRZSA-N 0 0 343.383 3.311 10 5 EGBERN C[C@H](C(=O)Nc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000488898200 311084029 /nfs/dbraw/zinc/08/40/29/311084029.db2.gz MINFBBSKWSDRNQ-QMMMGPOBSA-N 0 0 346.293 3.492 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000488970405 311087282 /nfs/dbraw/zinc/08/72/82/311087282.db2.gz DKFFZGMYUOKPFO-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCC(F)(F)C1 ZINC000488992325 311088373 /nfs/dbraw/zinc/08/83/73/311088373.db2.gz JTKLSBDJKCGZJP-LBPRGKRZSA-N 0 0 337.326 3.244 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000489022212 311089614 /nfs/dbraw/zinc/08/96/14/311089614.db2.gz GJYWXUKBMDRNMY-UHFFFAOYSA-N 0 0 336.269 3.211 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)n1 ZINC000489990146 311128545 /nfs/dbraw/zinc/12/85/45/311128545.db2.gz IBCBKBOUBQTQMP-ZFWWWQNUSA-N 0 0 342.399 3.138 10 5 EGBERN Cc1nc(Oc2ccc([N+](=O)[O-])c3ccccc23)nc(N(C)C)n1 ZINC000490138898 311133838 /nfs/dbraw/zinc/13/38/38/311133838.db2.gz IDDNCJHHRRSASU-UHFFFAOYSA-N 0 0 325.328 3.100 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000493961594 311448418 /nfs/dbraw/zinc/44/84/18/311448418.db2.gz QNYMWTPNSUFYAJ-LLVKDONJSA-N 0 0 348.371 3.068 10 5 EGBERN CC1(C)CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498484713 311885967 /nfs/dbraw/zinc/88/59/67/311885967.db2.gz BZNJOVXOVRIWNZ-UHFFFAOYSA-N 0 0 325.796 3.375 10 5 EGBERN NC(=O)c1ccc(Cl)cc1OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505583088 312027311 /nfs/dbraw/zinc/02/73/11/312027311.db2.gz YRWAIJCNRQNGEW-UHFFFAOYSA-N 0 0 342.685 3.204 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000507189948 312062413 /nfs/dbraw/zinc/06/24/13/312062413.db2.gz XGJOYFLHTVFBLG-UHFFFAOYSA-N 0 0 325.324 3.015 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000511471815 312161246 /nfs/dbraw/zinc/16/12/46/312161246.db2.gz CQBJEMZFNSCHBM-ROUUACIJSA-N 0 0 339.395 3.335 10 5 EGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000512143607 312176964 /nfs/dbraw/zinc/17/69/64/312176964.db2.gz BKHCWCCUYMSEEQ-JTQLQIEISA-N 0 0 332.809 3.201 10 5 EGBERN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513412419 312209313 /nfs/dbraw/zinc/20/93/13/312209313.db2.gz ZIFIVKWWLGONED-VHSXEESVSA-N 0 0 328.290 3.463 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC(F)F)C1 ZINC000514678997 312238537 /nfs/dbraw/zinc/23/85/37/312238537.db2.gz DGEYPMGSILMRGS-ZDUSSCGKSA-N 0 0 330.331 3.196 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000516172702 312312592 /nfs/dbraw/zinc/31/25/92/312312592.db2.gz VKWUNZXNNUOKED-HIFRSBDPSA-N 0 0 347.415 3.053 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C2CC2)C1 ZINC000516611462 312332819 /nfs/dbraw/zinc/33/28/19/312332819.db2.gz CDTHPBQPOLTXPZ-AWEZNQCLSA-N 0 0 342.399 3.060 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1coc(C2CCCC2)n1 ZINC000516632180 312334267 /nfs/dbraw/zinc/33/42/67/312334267.db2.gz WMGWSYITMOCNCE-UHFFFAOYSA-N 0 0 345.355 3.049 10 5 EGBERN O=C(NCCOCC1CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000516695776 312337980 /nfs/dbraw/zinc/33/79/80/312337980.db2.gz RYCPLJAQJBBJQZ-UHFFFAOYSA-N 0 0 334.397 3.356 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000519152058 312442697 /nfs/dbraw/zinc/44/26/97/312442697.db2.gz VMRYWDSRESFKLO-PELKAZGASA-N 0 0 332.809 3.024 10 5 EGBERN Cc1ccc(-c2ncccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000526100382 312793658 /nfs/dbraw/zinc/79/36/58/312793658.db2.gz LPOOKADXXBSDIQ-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000531633158 313693450 /nfs/dbraw/zinc/69/34/50/313693450.db2.gz VJBXTUHTROROKB-ZDUSSCGKSA-N 0 0 340.383 3.081 10 5 EGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(CC)CC ZINC000531887151 313726368 /nfs/dbraw/zinc/72/63/68/313726368.db2.gz BLZLQORHDSXDGE-HUUCEWRRSA-N 0 0 335.404 3.046 10 5 EGBERN Cc1ccnc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000532111544 313756288 /nfs/dbraw/zinc/75/62/88/313756288.db2.gz XMOJVBWBSVXTFE-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN O=C(NCc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532388027 313792969 /nfs/dbraw/zinc/79/29/69/313792969.db2.gz KRLJSIUNZDSZQC-UHFFFAOYSA-N 0 0 341.367 3.241 10 5 EGBERN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532391265 313793497 /nfs/dbraw/zinc/79/34/97/313793497.db2.gz HATNWXJDGXTPBD-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN CCc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)oc1CC ZINC000532616622 313820202 /nfs/dbraw/zinc/82/02/02/313820202.db2.gz GCCBNSNVXSVDJI-UHFFFAOYSA-N 0 0 332.356 3.121 10 5 EGBERN O=C1C[C@@H](c2cccc(Nc3ccc([N+](=O)[O-])c4cccnc34)c2)CN1 ZINC000536640688 314133237 /nfs/dbraw/zinc/13/32/37/314133237.db2.gz MZUZWFYREKYFSA-CYBMUJFWSA-N 0 0 348.362 3.490 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000538682839 314263827 /nfs/dbraw/zinc/26/38/27/314263827.db2.gz VSINDZNGRBAKQA-UHFFFAOYSA-N 0 0 337.379 3.157 10 5 EGBERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000539348290 314308424 /nfs/dbraw/zinc/30/84/24/314308424.db2.gz CPXOKNCDBBFRBU-ACJLOTCBSA-N 0 0 340.379 3.393 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3C)C2)n1 ZINC000541934388 314506487 /nfs/dbraw/zinc/50/64/87/314506487.db2.gz KUYHVDXJBMPYDL-MRXNPFEDSA-N 0 0 327.384 3.493 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccn(C2CCCCC2)n1 ZINC000548427364 315008004 /nfs/dbraw/zinc/00/80/04/315008004.db2.gz SYUPVUHEKBTUOT-UHFFFAOYSA-N 0 0 328.372 3.227 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000549298879 315086043 /nfs/dbraw/zinc/08/60/43/315086043.db2.gz OATPJJGVXGVHIN-MGCOHNPYSA-N 0 0 346.774 3.100 10 5 EGBERN CCC1(Cc2ccccc2)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549373103 315089074 /nfs/dbraw/zinc/08/90/74/315089074.db2.gz WGUZBGWNGOTSRB-UHFFFAOYSA-N 0 0 342.399 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2c1c(F)ccc2F ZINC000549796977 315104688 /nfs/dbraw/zinc/10/46/88/315104688.db2.gz CLMNQUDUBFRYTL-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN CCN(Cc1cccs1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553309805 315257168 /nfs/dbraw/zinc/25/71/68/315257168.db2.gz HHHSQAKJRWMSJC-UHFFFAOYSA-N 0 0 330.369 3.332 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1N1CCO[C@@H](COc2ccccc2)C1 ZINC000553582883 315271330 /nfs/dbraw/zinc/27/13/30/315271330.db2.gz FCMYVRNIZDGAMT-CQSZACIVSA-N 0 0 332.331 3.018 10 5 EGBERN CCc1cc(N(C)[C@H]2C[C@@H](OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553604858 315272963 /nfs/dbraw/zinc/27/29/63/315272963.db2.gz ZWQVGFGLXYSRNQ-IYBDPMFKSA-N 0 0 342.399 3.228 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000554953296 315359128 /nfs/dbraw/zinc/35/91/28/315359128.db2.gz ZUZRVMWNULOFGZ-UHFFFAOYSA-N 0 0 331.416 3.354 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(F)(c2ccccc2)CC1 ZINC000555813906 315403826 /nfs/dbraw/zinc/40/38/26/315403826.db2.gz KNHLEEUNAONILC-UHFFFAOYSA-N 0 0 329.331 3.091 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)nc1-c1ccccc1 ZINC000560076424 315659233 /nfs/dbraw/zinc/65/92/33/315659233.db2.gz OESXGDGAZFJKGP-QGZVFWFLSA-N 0 0 349.390 3.267 10 5 EGBERN CC[C@@]1(C)CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000562272673 315810537 /nfs/dbraw/zinc/81/05/37/315810537.db2.gz WWRCZZWFGJQSHB-SFHVURJKSA-N 0 0 344.415 3.450 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000563758500 316065051 /nfs/dbraw/zinc/06/50/51/316065051.db2.gz BTJJQSANHMRUOW-NEPJUHHUSA-N 0 0 330.388 3.059 10 5 EGBERN CC(C)CCO[C@@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564200611 316122370 /nfs/dbraw/zinc/12/23/70/316122370.db2.gz QEVQBHGLGDICCY-ZDUSSCGKSA-N 0 0 347.415 3.186 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000565226347 316295149 /nfs/dbraw/zinc/29/51/49/316295149.db2.gz JYYANZLLEHKOCD-LZWOXQAQSA-N 0 0 349.431 3.297 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000565775817 316368779 /nfs/dbraw/zinc/36/87/79/316368779.db2.gz AGMBWAFNNNBDSL-NSHDSACASA-N 0 0 328.372 3.188 10 5 EGBERN COC(=O)c1cc(C)nc(N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000566337480 316459113 /nfs/dbraw/zinc/45/91/13/316459113.db2.gz VOBXXGLLYHTEHT-MBNYWOFBSA-N 0 0 333.388 3.242 10 5 EGBERN CC[C@@H]1CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569519933 316925461 /nfs/dbraw/zinc/92/54/61/316925461.db2.gz JTDCUVSMMXMSDI-CYBMUJFWSA-N 0 0 330.388 3.203 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000570563412 317074039 /nfs/dbraw/zinc/07/40/39/317074039.db2.gz GCLZVHNVVCSCNZ-HUUCEWRRSA-N 0 0 334.416 3.364 10 5 EGBERN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1cscn1 ZINC000571418289 317197395 /nfs/dbraw/zinc/19/73/95/317197395.db2.gz JXHJXKCBCMOKIP-MNOVXSKESA-N 0 0 334.401 3.119 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC3(CCC(O)CC3)CC1)CCCC2 ZINC000571792493 317248722 /nfs/dbraw/zinc/24/87/22/317248722.db2.gz VGUYNKWFOHFOPT-UHFFFAOYSA-N 0 0 345.443 3.390 10 5 EGBERN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000574836814 317641766 /nfs/dbraw/zinc/64/17/66/317641766.db2.gz IMFLDPPVYNQWQZ-LLVKDONJSA-N 0 0 334.322 3.335 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000176014388 323325245 /nfs/dbraw/zinc/32/52/45/323325245.db2.gz OOFDXNOHPYJRPZ-KRWDZBQOSA-N 0 0 347.415 3.228 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000183434880 323615356 /nfs/dbraw/zinc/61/53/56/323615356.db2.gz CWGGCKPGPNKYJH-ZDUSSCGKSA-N 0 0 344.367 3.110 10 5 EGBERN CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000187926264 323756949 /nfs/dbraw/zinc/75/69/49/323756949.db2.gz HTKXCINEGGJLMJ-UHFFFAOYSA-N 0 0 347.415 3.228 10 5 EGBERN CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)ccc1O ZINC000350798463 324121506 /nfs/dbraw/zinc/12/15/06/324121506.db2.gz ZNYNXVWUKQRESB-UHFFFAOYSA-N 0 0 342.311 3.120 10 5 EGBERN COc1ccc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cc1[N+](=O)[O-] ZINC000350941689 324143757 /nfs/dbraw/zinc/14/37/57/324143757.db2.gz VDEHLWZNRCBOOK-UHFFFAOYSA-N 0 0 343.343 3.272 10 5 EGBERN CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000518845789 324390956 /nfs/dbraw/zinc/39/09/56/324390956.db2.gz SVJHVQFKYOLHAA-UHFFFAOYSA-N 0 0 349.394 3.086 10 5 EGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)C(C)(C)C ZINC000311961722 456590219 /nfs/dbraw/zinc/59/02/19/456590219.db2.gz PBOSOSHAOFWVBL-NSHDSACASA-N 0 0 332.194 3.452 10 5 EGBERN C[C@H](N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000576754098 324675543 /nfs/dbraw/zinc/67/55/43/324675543.db2.gz QRYNULVDDCUZEM-LBPRGKRZSA-N 0 0 344.415 3.449 10 5 EGBERN CS(=O)(=O)Nc1ccc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000578765573 325015867 /nfs/dbraw/zinc/01/58/67/325015867.db2.gz GWWAOPJYULAQBS-HNNXBMFYSA-N 0 0 347.396 3.066 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCCC3(CCOCC3)C1)CCCC2 ZINC000578982776 325045914 /nfs/dbraw/zinc/04/59/14/325045914.db2.gz LCWREDOUNGCZIH-UHFFFAOYSA-N 0 0 331.416 3.266 10 5 EGBERN C[C@H](NC(=O)N[C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000579026238 325052181 /nfs/dbraw/zinc/05/21/81/325052181.db2.gz UATSFYBSOJIGJD-GTNSWQLSSA-N 0 0 340.383 3.225 10 5 EGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000579220108 325079193 /nfs/dbraw/zinc/07/91/93/325079193.db2.gz PQWSDLJOZYQEFL-AWEZNQCLSA-N 0 0 329.404 3.298 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000579498518 325120079 /nfs/dbraw/zinc/12/00/79/325120079.db2.gz YDWZHBLXMJOIKU-CQSZACIVSA-N 0 0 329.404 3.356 10 5 EGBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000579730131 325152143 /nfs/dbraw/zinc/15/21/43/325152143.db2.gz CMSNUENOPPKNCO-HNNXBMFYSA-N 0 0 325.368 3.236 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000579853217 325169027 /nfs/dbraw/zinc/16/90/27/325169027.db2.gz HFPIBVQXTSBHQJ-CQSZACIVSA-N 0 0 348.321 3.133 10 5 EGBERN CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000580270450 325224457 /nfs/dbraw/zinc/22/44/57/325224457.db2.gz ZRTRYBXXCXOTDK-UHFFFAOYSA-N 0 0 333.363 3.445 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc[nH]c1C1CC1 ZINC000580372064 325240012 /nfs/dbraw/zinc/24/00/12/325240012.db2.gz GXPQSDDXAACOKN-UHFFFAOYSA-N 0 0 338.367 3.254 10 5 EGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000580534307 325263793 /nfs/dbraw/zinc/26/37/93/325263793.db2.gz QJPCNNGKOONNIP-ZUZCIYMTSA-N 0 0 335.310 3.234 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000581217849 325341822 /nfs/dbraw/zinc/34/18/22/325341822.db2.gz LYIXGMSPZFPNOW-UHFFFAOYSA-N 0 0 343.358 3.399 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2OC(C)C)n1 ZINC000581346545 325353335 /nfs/dbraw/zinc/35/33/35/325353335.db2.gz BCLGSQQEIADKHR-LBPRGKRZSA-N 0 0 346.387 3.089 10 5 EGBERN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000583686392 325543651 /nfs/dbraw/zinc/54/36/51/325543651.db2.gz GJOIPFSQWSXZJC-GFCCVEGCSA-N 0 0 343.236 3.162 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189590179 455221819 /nfs/dbraw/zinc/22/18/19/455221819.db2.gz BKGKQIVLLLHIOS-CQSZACIVSA-N 0 0 330.315 3.296 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157896738 455245122 /nfs/dbraw/zinc/24/51/22/455245122.db2.gz SEYOUKNVEGHPGQ-QGZVFWFLSA-N 0 0 328.343 3.470 10 5 EGBERN COC(=O)c1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)oc1C ZINC000183245793 455260496 /nfs/dbraw/zinc/26/04/96/455260496.db2.gz BRJOZLGTIDABHA-UHFFFAOYSA-N 0 0 332.356 3.223 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000183398044 455287643 /nfs/dbraw/zinc/28/76/43/455287643.db2.gz UQFYNGXABRCPOA-CRAIPNDOSA-N 0 0 348.349 3.489 10 5 EGBERN Cc1ccc(OCC(=O)N(c2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000005970423 452914340 /nfs/dbraw/zinc/91/43/40/452914340.db2.gz MCQFOZQLKQKMNF-UHFFFAOYSA-N 0 0 329.356 3.119 10 5 EGBERN CCn1c(C)cc(C(=O)COc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000006290470 452931046 /nfs/dbraw/zinc/93/10/46/452931046.db2.gz MFNYYPXZHIEWBG-UHFFFAOYSA-N 0 0 332.356 3.303 10 5 EGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CCC3(CC3)CC2)C1=O ZINC000600709137 460574829 /nfs/dbraw/zinc/57/48/29/460574829.db2.gz ZKZMODNBLBFTBY-QGZVFWFLSA-N 0 0 343.383 3.085 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc(F)cc1 ZINC000007067849 453027811 /nfs/dbraw/zinc/02/78/11/453027811.db2.gz CMHJRCSXJWRDME-LBPRGKRZSA-N 0 0 332.331 3.332 10 5 EGBERN CCN(CC)S(=O)(=O)c1ccc(NC(C)(C)CC)c([N+](=O)[O-])c1 ZINC000007365184 453064779 /nfs/dbraw/zinc/06/47/79/453064779.db2.gz AAZBOZSBXNDURG-UHFFFAOYSA-N 0 0 343.449 3.226 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600770585 460596317 /nfs/dbraw/zinc/59/63/17/460596317.db2.gz AIJLZRLWDOWONH-CQSZACIVSA-N 0 0 326.352 3.239 10 5 EGBERN COc1ccc([C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)cc1F ZINC000600775561 460598294 /nfs/dbraw/zinc/59/82/94/460598294.db2.gz MYFKXQVVMCDOCC-ZDUSSCGKSA-N 0 0 344.342 3.372 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600802383 460609450 /nfs/dbraw/zinc/60/94/50/460609450.db2.gz GSGAMAAMMVUMLZ-CYBMUJFWSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1sc(C(=O)N2CCOc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000600802919 460609579 /nfs/dbraw/zinc/60/95/79/460609579.db2.gz BGTQCVKZOATUCI-UHFFFAOYSA-N 0 0 336.344 3.139 10 5 EGBERN O=C(NC[C@@H]1CCCC12CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600805436 460611338 /nfs/dbraw/zinc/61/13/38/460611338.db2.gz RUONZKQRHBEICT-ZDUSSCGKSA-N 0 0 340.383 3.091 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600808537 460611919 /nfs/dbraw/zinc/61/19/19/460611919.db2.gz LYFMJZSCAMTBKO-JDGPPOGSSA-N 0 0 332.356 3.142 10 5 EGBERN CCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)sc2c1 ZINC000026855907 453806326 /nfs/dbraw/zinc/80/63/26/453806326.db2.gz RWVNPWQIIUUBAW-UHFFFAOYSA-N 0 0 330.369 3.358 10 5 EGBERN Cc1sc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000066549197 453851056 /nfs/dbraw/zinc/85/10/56/453851056.db2.gz GLFMYXKKSCJPGS-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1cccs1)C1CCCC1 ZINC000031803556 453855599 /nfs/dbraw/zinc/85/55/99/453855599.db2.gz SDZZEXPSBRLFJU-MRXNPFEDSA-N 0 0 348.428 3.291 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000031930664 453858498 /nfs/dbraw/zinc/85/84/98/453858498.db2.gz QMZDYNANBUFRIP-INIZCTEOSA-N 0 0 346.770 3.210 10 5 EGBERN CCCCNC(=O)c1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066808895 453875762 /nfs/dbraw/zinc/87/57/62/453875762.db2.gz YRKZICYFENFGKK-UHFFFAOYSA-N 0 0 328.372 3.132 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000067019714 453894646 /nfs/dbraw/zinc/89/46/46/453894646.db2.gz BBCGBEZSTPARIA-UHFFFAOYSA-N 0 0 343.358 3.005 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000067515467 453937493 /nfs/dbraw/zinc/93/74/93/453937493.db2.gz YSSXFAOBYPSEIO-AEFFLSMTSA-N 0 0 348.362 3.066 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000083195989 453942727 /nfs/dbraw/zinc/94/27/27/453942727.db2.gz IGGIADWBGNRBHB-KSSFIOAISA-N 0 0 347.415 3.258 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC(=O)CCCc1ccccn1 ZINC000083914626 453961358 /nfs/dbraw/zinc/96/13/58/453961358.db2.gz YWQHJCZHSFAIKW-UHFFFAOYSA-N 0 0 329.356 3.098 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000068046545 453990799 /nfs/dbraw/zinc/99/07/99/453990799.db2.gz MYMYQFRJBPWWID-AWEZNQCLSA-N 0 0 344.371 3.291 10 5 EGBERN COc1ccc(CCCNc2ncc([N+](=O)[O-])cc2C)cc1OC ZINC000076666141 454024265 /nfs/dbraw/zinc/02/42/65/454024265.db2.gz NKOKDHNHVSKRBE-UHFFFAOYSA-N 0 0 331.372 3.360 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087024641 454057470 /nfs/dbraw/zinc/05/74/70/454057470.db2.gz CTMFFMDEUIHAME-UHFFFAOYSA-N 0 0 342.395 3.373 10 5 EGBERN C[C@@H](CO)[C@@H](C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000077227991 454078358 /nfs/dbraw/zinc/07/83/58/454078358.db2.gz PFWGAAXJJDCYQD-QWHCGFSZSA-N 0 0 328.368 3.255 10 5 EGBERN C[C@H](c1nccs1)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590299 455409082 /nfs/dbraw/zinc/40/90/82/455409082.db2.gz VVBMOBKPWGVPJZ-ZIAGYGMSSA-N 0 0 346.456 3.491 10 5 EGBERN O=C(C/C=C/c1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089302070 454135066 /nfs/dbraw/zinc/13/50/66/454135066.db2.gz WNMDMLPBHCBENH-ZZXKWVIFSA-N 0 0 328.343 3.496 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C(=O)N2CCCC2)c1 ZINC000069846791 454151539 /nfs/dbraw/zinc/15/15/39/454151539.db2.gz UCOSKGHKPFPPQV-UHFFFAOYSA-N 0 0 340.383 3.146 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccccc1 ZINC000089845833 454215340 /nfs/dbraw/zinc/21/53/40/454215340.db2.gz LZPOSBAWVCGOAP-UHFFFAOYSA-N 0 0 348.380 3.172 10 5 EGBERN O=C(c1cc(N(CC2CC2)CC2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000078264195 454220341 /nfs/dbraw/zinc/22/03/41/454220341.db2.gz BRASTVOIFWAUAD-UHFFFAOYSA-N 0 0 343.427 3.457 10 5 EGBERN CC(C)N(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000089914999 454234083 /nfs/dbraw/zinc/23/40/83/454234083.db2.gz GFDJHVQTDUBAGP-UHFFFAOYSA-N 0 0 345.399 3.035 10 5 EGBERN Cc1sc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000131090550 454235007 /nfs/dbraw/zinc/23/50/07/454235007.db2.gz IMTAVKPSBAQING-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN CN(C)C(=O)Nc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000078340799 454236183 /nfs/dbraw/zinc/23/61/83/454236183.db2.gz HTNARMZBLBMQON-UHFFFAOYSA-N 0 0 349.778 3.349 10 5 EGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@](C)=O ZINC000090113066 454281894 /nfs/dbraw/zinc/28/18/94/454281894.db2.gz HWTJXCZTWXHCIN-DAOPMYJZSA-N 0 0 333.413 3.226 10 5 EGBERN CC[C@H](NS(=O)(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090222806 454294858 /nfs/dbraw/zinc/29/48/58/454294858.db2.gz OKMMAAZWIVAVTR-HNNXBMFYSA-N 0 0 338.360 3.164 10 5 EGBERN CC[C@H](C)NC(=O)c1nn(CC)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000096278854 454315468 /nfs/dbraw/zinc/31/54/68/454315468.db2.gz QSYFWRCTPZAISI-NSHDSACASA-N 0 0 346.387 3.440 10 5 EGBERN CC[C@H](NC(=O)NCCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000090616048 454328220 /nfs/dbraw/zinc/32/82/20/454328220.db2.gz AABDANIZBVZJSG-AWEZNQCLSA-N 0 0 334.401 3.044 10 5 EGBERN CC(C)(C)OC(=O)COC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096931127 454382657 /nfs/dbraw/zinc/38/26/57/454382657.db2.gz MONGGAHYKRSTIP-ALCCZGGFSA-N 0 0 341.747 3.146 10 5 EGBERN CC[C@H](NC(=O)Cc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC000612477855 460637753 /nfs/dbraw/zinc/63/77/53/460637753.db2.gz ATOCPNJLPVVDEI-SFHVURJKSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000064029683 454465155 /nfs/dbraw/zinc/46/51/55/454465155.db2.gz QNRACOYVRYMGDI-LBPRGKRZSA-N 0 0 346.412 3.215 10 5 EGBERN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 ZINC000048522985 454495081 /nfs/dbraw/zinc/49/50/81/454495081.db2.gz MJZGOQBLVOFDEF-UHFFFAOYSA-N 0 0 338.319 3.255 10 5 EGBERN O=C(NCC[C@H]1CCCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065096494 454529250 /nfs/dbraw/zinc/52/92/50/454529250.db2.gz NIYJPSOXRVFMIB-CYBMUJFWSA-N 0 0 347.396 3.017 10 5 EGBERN Cc1nc(C(C)C)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065123913 454531461 /nfs/dbraw/zinc/53/14/61/454531461.db2.gz BIDXLGXOXYHRFU-UHFFFAOYSA-N 0 0 333.413 3.456 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000080120458 454537134 /nfs/dbraw/zinc/53/71/34/454537134.db2.gz UPAWAXSNRMRIJW-LLVKDONJSA-N 0 0 346.305 3.083 10 5 EGBERN CC(C)(NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000065492787 454577463 /nfs/dbraw/zinc/57/74/63/454577463.db2.gz JZOJXIQRRIUBNG-UHFFFAOYSA-N 0 0 334.353 3.050 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1Sc1nnc(-c2ccccc2F)n1C ZINC000092584185 454590142 /nfs/dbraw/zinc/59/01/42/454590142.db2.gz GBDHFCRMXYDABD-UHFFFAOYSA-N 0 0 345.359 3.384 10 5 EGBERN COCCOc1cccc(CNc2ccc([N+](=O)[O-])cc2COC)c1 ZINC000080577637 454601416 /nfs/dbraw/zinc/60/14/16/454601416.db2.gz BRECDGLKCMOOQB-UHFFFAOYSA-N 0 0 346.383 3.379 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000092663091 454605159 /nfs/dbraw/zinc/60/51/59/454605159.db2.gz GPVUPAXOPRJIOG-UHFFFAOYSA-N 0 0 333.319 3.469 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc(OC)c(O)c2)c1 ZINC000092689373 454612044 /nfs/dbraw/zinc/61/20/44/454612044.db2.gz ZDOKOGPJHVXHSN-UHFFFAOYSA-N 0 0 336.319 3.093 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000065744820 454618945 /nfs/dbraw/zinc/61/89/45/454618945.db2.gz ZFIHGPTVMSXWRB-INIZCTEOSA-N 0 0 342.399 3.080 10 5 EGBERN CN(Cc1ccc[nH]1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000080973987 454663038 /nfs/dbraw/zinc/66/30/38/454663038.db2.gz GSWNZBNGUVTNQM-UHFFFAOYSA-N 0 0 345.402 3.141 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nc(-c3cccs3)n[nH]2)c1 ZINC000080981160 454665480 /nfs/dbraw/zinc/66/54/80/454665480.db2.gz NFIPLGWHZJABLA-UHFFFAOYSA-N 0 0 349.347 3.201 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000176146636 454703924 /nfs/dbraw/zinc/70/39/24/454703924.db2.gz QYFJDBYLTRKWLM-RYUDHWBXSA-N 0 0 336.413 3.329 10 5 EGBERN Cc1c(C(=O)N2CCO[C@H](c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000162076217 454749883 /nfs/dbraw/zinc/74/98/83/454749883.db2.gz XQPGDYUPJAUDGK-AWEZNQCLSA-N 0 0 332.381 3.178 10 5 EGBERN CC[C@@H](NC(=O)N(C)C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000176683725 454771414 /nfs/dbraw/zinc/77/14/14/454771414.db2.gz PFCAEYGWHKXXQT-CZUORRHYSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@@H](NC(=O)NCC(C)(C)SC)c1cccc([N+](=O)[O-])c1 ZINC000176682871 454771453 /nfs/dbraw/zinc/77/14/53/454771453.db2.gz CUVLZFVGMRTTPX-CYBMUJFWSA-N 0 0 325.434 3.487 10 5 EGBERN CO[C@@H](C)c1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cs1 ZINC000153279452 454777578 /nfs/dbraw/zinc/77/75/78/454777578.db2.gz MSEDVXYYJIFQID-NSHDSACASA-N 0 0 333.413 3.317 10 5 EGBERN CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153328169 454783184 /nfs/dbraw/zinc/78/31/84/454783184.db2.gz BWTNSCJVWHMSAQ-OLZOCXBDSA-N 0 0 340.445 3.324 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000176859728 454791449 /nfs/dbraw/zinc/79/14/49/454791449.db2.gz WWMSPYWQEZEAPI-UHFFFAOYSA-N 0 0 339.395 3.393 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000162663989 454791690 /nfs/dbraw/zinc/79/16/90/454791690.db2.gz WXTIPHVRKKNNSQ-DYVFJYSZSA-N 0 0 333.388 3.062 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000153507618 454800908 /nfs/dbraw/zinc/80/09/08/454800908.db2.gz LBHHEHLZNQJZJP-LLVKDONJSA-N 0 0 345.403 3.049 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1cnn(-c2ccccc2)c1 ZINC000153550330 454806102 /nfs/dbraw/zinc/80/61/02/454806102.db2.gz IDOBPRBPOZPIRJ-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000125254649 454808365 /nfs/dbraw/zinc/80/83/65/454808365.db2.gz UMDNJUADPGCOMQ-UHFFFAOYSA-N 0 0 346.412 3.060 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109091981 454821024 /nfs/dbraw/zinc/82/10/24/454821024.db2.gz CPGKPXYKFFGJAW-GJZGRUSLSA-N 0 0 346.333 3.335 10 5 EGBERN COc1cc(C(=O)NCCCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000109231098 454824268 /nfs/dbraw/zinc/82/42/68/454824268.db2.gz LLEQTPWLXHWBKW-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCC[C@H]2C1 ZINC000154203952 454874115 /nfs/dbraw/zinc/87/41/15/454874115.db2.gz KTXWFASXEHCSTH-UWVGGRQHSA-N 0 0 339.189 3.229 10 5 EGBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000177637926 454886231 /nfs/dbraw/zinc/88/62/31/454886231.db2.gz NTRAZMLIABIPGN-NSHDSACASA-N 0 0 342.380 3.333 10 5 EGBERN COc1cc(C(=O)NC/C=C/c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000112585658 454892183 /nfs/dbraw/zinc/89/21/83/454892183.db2.gz IGUKBBWELBOESG-RMKNXTFCSA-N 0 0 342.351 3.055 10 5 EGBERN COc1cc(C)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000150901596 454910209 /nfs/dbraw/zinc/91/02/09/454910209.db2.gz KEDNZTCDTOXUBH-UHFFFAOYSA-N 0 0 344.367 3.492 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000177967828 454924003 /nfs/dbraw/zinc/92/40/03/454924003.db2.gz MQFPHYGSRXORGB-HNNXBMFYSA-N 0 0 333.775 3.297 10 5 EGBERN C[C@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000151149040 454944630 /nfs/dbraw/zinc/94/46/30/454944630.db2.gz JRURVFAOCXREQP-OLZOCXBDSA-N 0 0 344.367 3.134 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438045 454954415 /nfs/dbraw/zinc/95/44/15/454954415.db2.gz RYUFXEGGAGSRHA-GOSISDBHSA-N 0 0 330.384 3.323 10 5 EGBERN Cc1ccc([C@@H](C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000127477077 454968834 /nfs/dbraw/zinc/96/88/34/454968834.db2.gz XVWZXBWSPFBJHK-AWEZNQCLSA-N 0 0 328.368 3.202 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127576886 454978801 /nfs/dbraw/zinc/97/88/01/454978801.db2.gz CKJHOCNSDSFDKN-ZBEGNZNMSA-N 0 0 338.791 3.015 10 5 EGBERN Cc1cnc(CCN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000179162532 455015298 /nfs/dbraw/zinc/01/52/98/455015298.db2.gz FMGQIRAFITXQEJ-LBPRGKRZSA-N 0 0 348.428 3.305 10 5 EGBERN O=C(Nc1ccc(-c2ncon2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171061998 455024230 /nfs/dbraw/zinc/02/42/30/455024230.db2.gz IMYFSOHDYKNWFA-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN CCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171173865 455040538 /nfs/dbraw/zinc/04/05/38/455040538.db2.gz PMDMNZIZJNIJDL-OAHLLOKOSA-N 0 0 327.384 3.439 10 5 EGBERN Cc1cc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000151917908 455048410 /nfs/dbraw/zinc/04/84/10/455048410.db2.gz WPWUMKIAIGICHI-SCLBCKFNSA-N 0 0 340.379 3.367 10 5 EGBERN O=C(NCc1cscn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000128470874 455059438 /nfs/dbraw/zinc/05/94/38/455059438.db2.gz OGSRETDKSZGIBU-UHFFFAOYSA-N 0 0 331.275 3.000 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000179757089 455073998 /nfs/dbraw/zinc/07/39/98/455073998.db2.gz MTEYWINXKCFTGC-UHFFFAOYSA-N 0 0 342.277 3.338 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)ccc(F)c21 ZINC000119038992 455121419 /nfs/dbraw/zinc/12/14/19/455121419.db2.gz HWIVXKDYNYXVEG-UHFFFAOYSA-N 0 0 333.294 3.169 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000129947908 455135004 /nfs/dbraw/zinc/13/50/04/455135004.db2.gz BGYOXAIPIJPRBD-WBMJQRKESA-N 0 0 326.352 3.198 10 5 EGBERN O=C(Nc1nnc(C2CC2)s1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129966863 455135747 /nfs/dbraw/zinc/13/57/47/455135747.db2.gz RVFOUNUTWIZFJK-UHFFFAOYSA-N 0 0 329.341 3.057 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000156824223 455152163 /nfs/dbraw/zinc/15/21/63/455152163.db2.gz DDRQYLJJDIPIBF-QGZVFWFLSA-N 0 0 335.404 3.079 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000156834388 455152463 /nfs/dbraw/zinc/15/24/63/455152463.db2.gz ODEZKGRILJHNLU-IBGZPJMESA-N 0 0 340.379 3.291 10 5 EGBERN C[C@H]1CC[C@@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180291538 455155403 /nfs/dbraw/zinc/15/54/03/455155403.db2.gz JIWGEAZVEBQIGB-HZMBPMFUSA-N 0 0 347.396 3.249 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[nH]c2cc(F)ccc12 ZINC000181274392 455311117 /nfs/dbraw/zinc/31/11/17/455311117.db2.gz BJROEZPNMQTNPB-UHFFFAOYSA-N 0 0 339.286 3.344 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000181633697 455364962 /nfs/dbraw/zinc/36/49/62/455364962.db2.gz VNIPVLNDPQMNKL-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000184510642 455393599 /nfs/dbraw/zinc/39/35/99/455393599.db2.gz JYJSYCIDZITJRI-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902503 455396997 /nfs/dbraw/zinc/39/69/97/455396997.db2.gz QXFKVGDIUMYWMK-GFCCVEGCSA-N 0 0 341.346 3.165 10 5 EGBERN Cn1cc(C(=O)NCCC2=CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160286540 455444967 /nfs/dbraw/zinc/44/49/67/455444967.db2.gz YXHMWLBKPMPOPG-UHFFFAOYSA-N 0 0 340.383 3.226 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cn1)N[C@@H]1CCCc2ccccc21 ZINC000160326071 455449008 /nfs/dbraw/zinc/44/90/08/455449008.db2.gz XCCOCBYSQHYDAB-OAHLLOKOSA-N 0 0 343.408 3.276 10 5 EGBERN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1nc2c(s1)CCCC2 ZINC000175547389 455461797 /nfs/dbraw/zinc/46/17/97/455461797.db2.gz JRCKZZDRRZRTBY-UHFFFAOYSA-N 0 0 347.440 3.441 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000191601214 455502981 /nfs/dbraw/zinc/50/29/81/455502981.db2.gz MWYWLATXLVQFBH-HNNXBMFYSA-N 0 0 346.362 3.222 10 5 EGBERN CCc1cc(NC(=O)[C@]2(C)CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160871969 455507796 /nfs/dbraw/zinc/50/77/96/455507796.db2.gz VVYNRCJBMCXCOD-KRWDZBQOSA-N 0 0 329.356 3.213 10 5 EGBERN CC[C@H](NC(=O)NCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000175996676 455525636 /nfs/dbraw/zinc/52/56/36/455525636.db2.gz KUSXZSFDFLEHQR-HNNXBMFYSA-N 0 0 332.360 3.150 10 5 EGBERN CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000267272812 455528761 /nfs/dbraw/zinc/52/87/61/455528761.db2.gz IWQCEQXCFXLMHQ-QGZVFWFLSA-N 0 0 344.367 3.250 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000161259788 455552845 /nfs/dbraw/zinc/55/28/45/455552845.db2.gz XZTXZRWBKYSUMS-GFCCVEGCSA-N 0 0 344.342 3.434 10 5 EGBERN CO[C@@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1ccccc1 ZINC000182637543 455558057 /nfs/dbraw/zinc/55/80/57/455558057.db2.gz VPYDQZLVIOOGQW-SJKOYZFVSA-N 0 0 326.352 3.260 10 5 EGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277550202 455595262 /nfs/dbraw/zinc/59/52/62/455595262.db2.gz XOTOGDQDUANVBB-SSDOTTSWSA-N 0 0 338.232 3.288 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271322069 455596707 /nfs/dbraw/zinc/59/67/07/455596707.db2.gz BEAHULHYXRKPHC-IOASZLSFSA-N 0 0 335.404 3.160 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000271328164 455599354 /nfs/dbraw/zinc/59/93/54/455599354.db2.gz LGBCIGJHPUGEIO-UUSSSYRCSA-N 0 0 334.372 3.008 10 5 EGBERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC000283817694 455599572 /nfs/dbraw/zinc/59/95/72/455599572.db2.gz YQBHUUJOQAZNQX-KGLIPLIRSA-N 0 0 330.413 3.210 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC2CCCC2)c2ccccc2)n1 ZINC000271340904 455604149 /nfs/dbraw/zinc/60/41/49/455604149.db2.gz CLTXYOKTKQOFLW-OAHLLOKOSA-N 0 0 342.399 3.380 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000185765705 455618418 /nfs/dbraw/zinc/61/84/18/455618418.db2.gz ZBPWYOSTWSMVMN-ZWNOBZJWSA-N 0 0 345.355 3.210 10 5 EGBERN COCc1ncc(COC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000292338677 455634194 /nfs/dbraw/zinc/63/41/94/455634194.db2.gz XVJDEAGFFUYKSV-YRNVUSSQSA-N 0 0 348.380 3.344 10 5 EGBERN CSc1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000186167108 455708665 /nfs/dbraw/zinc/70/86/65/455708665.db2.gz LZPOGZPUDJXQBU-STQMWFEESA-N 0 0 336.413 3.100 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000277982311 455726026 /nfs/dbraw/zinc/72/60/26/455726026.db2.gz ABDRVMPXEAHZLL-AWEZNQCLSA-N 0 0 340.807 3.084 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000278145921 455770443 /nfs/dbraw/zinc/77/04/43/455770443.db2.gz RCCHTNFFQIOCBB-LUAWRHEFSA-N 0 0 345.355 3.423 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ncc[nH]3)no2)c1 ZINC000284970791 455770635 /nfs/dbraw/zinc/77/06/35/455770635.db2.gz CZHMVXSZBWYHFG-UHFFFAOYSA-N 0 0 340.343 3.025 10 5 EGBERN CC[C@H](NC(=O)N1CCC(C)(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271828413 455777636 /nfs/dbraw/zinc/77/76/36/455777636.db2.gz UAIFKDYPXACXDJ-HNNXBMFYSA-N 0 0 335.404 3.256 10 5 EGBERN COc1cc(CN2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000278372038 455831415 /nfs/dbraw/zinc/83/14/15/455831415.db2.gz KRCDKYKSZDKSAI-SNVBAGLBSA-N 0 0 348.321 3.386 10 5 EGBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](O)CC1 ZINC000295014992 455835814 /nfs/dbraw/zinc/83/58/14/455835814.db2.gz VXQCNOJQQAQLFK-CYBMUJFWSA-N 0 0 336.391 3.081 10 5 EGBERN CC1(C)CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000187285335 455890582 /nfs/dbraw/zinc/89/05/82/455890582.db2.gz VEPIIJKPJBGPAR-UHFFFAOYSA-N 0 0 327.178 3.372 10 5 EGBERN Cc1sc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000270262060 455915387 /nfs/dbraw/zinc/91/53/87/455915387.db2.gz KDEVLZXGKQYIIS-LBPRGKRZSA-N 0 0 326.418 3.026 10 5 EGBERN CCOc1cccc([C@@H](CC)OC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000272434994 455949400 /nfs/dbraw/zinc/94/94/00/455949400.db2.gz PXAQMIDIPUSLFN-CQSZACIVSA-N 0 0 333.344 3.035 10 5 EGBERN COc1cc(OC)cc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000188229958 456025848 /nfs/dbraw/zinc/02/58/48/456025848.db2.gz OZOPIGHEZUXLGS-UHFFFAOYSA-N 0 0 336.369 3.259 10 5 EGBERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270856507 456054131 /nfs/dbraw/zinc/05/41/31/456054131.db2.gz ZACBDPRGJNPAAD-DGCLKSJQSA-N 0 0 346.387 3.097 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000301257808 456074356 /nfs/dbraw/zinc/07/43/56/456074356.db2.gz ULQCRLXLVIUMCC-VMPITWQZSA-N 0 0 343.339 3.429 10 5 EGBERN C[C@H](CCC1CCCC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301332354 456092534 /nfs/dbraw/zinc/09/25/34/456092534.db2.gz DYBIDCBSDHIWGJ-GFCCVEGCSA-N 0 0 330.388 3.374 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000188636422 456101820 /nfs/dbraw/zinc/10/18/20/456101820.db2.gz RLZCOYWBCRDSGE-LSDHHAIUSA-N 0 0 335.404 3.303 10 5 EGBERN CNC(=O)c1ccc(N(C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000301386840 456104299 /nfs/dbraw/zinc/10/42/99/456104299.db2.gz WIPWCMPAFRNQQN-AWEZNQCLSA-N 0 0 341.411 3.330 10 5 EGBERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271111214 456128615 /nfs/dbraw/zinc/12/86/15/456128615.db2.gz IWPJNLHUYOUXDF-ZBEGNZNMSA-N 0 0 345.399 3.400 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)C ZINC000301537910 456141146 /nfs/dbraw/zinc/14/11/46/456141146.db2.gz BARHCXOBYPXDQT-LLVKDONJSA-N 0 0 330.388 3.406 10 5 EGBERN CCc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301707869 456194719 /nfs/dbraw/zinc/19/47/19/456194719.db2.gz WJJVSEXUPPUTCG-UHFFFAOYSA-N 0 0 341.367 3.143 10 5 EGBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc(C)c1[N+](=O)[O-] ZINC000301816814 456222853 /nfs/dbraw/zinc/22/28/53/456222853.db2.gz JQHJCKFKGGKZFG-APHBMKBZSA-N 0 0 346.383 3.059 10 5 EGBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(OC(F)F)cc1 ZINC000301819856 456223211 /nfs/dbraw/zinc/22/32/11/456223211.db2.gz AQAWMOKOPRFSII-VIFPVBQESA-N 0 0 349.297 3.412 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCc2c1cccc2O ZINC000601125185 460719640 /nfs/dbraw/zinc/71/96/40/460719640.db2.gz OCACWPVXLJLSBR-SECBINFHSA-N 0 0 342.277 3.152 10 5 EGBERN CC(C)(C)Oc1cc(NCc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000301859381 456234867 /nfs/dbraw/zinc/23/48/67/456234867.db2.gz DZJDWCIPJNSINZ-UHFFFAOYSA-N 0 0 341.371 3.427 10 5 EGBERN CC(C)(C)Oc1cc(N2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000301869223 456237460 /nfs/dbraw/zinc/23/74/60/456237460.db2.gz FCQGUDNZRGGMLA-AWEZNQCLSA-N 0 0 348.321 3.276 10 5 EGBERN CC(C)(C)Oc1cc(N2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000301888006 456243167 /nfs/dbraw/zinc/24/31/67/456243167.db2.gz PQMOXNVHFPHQPB-CQSZACIVSA-N 0 0 345.403 3.205 10 5 EGBERN CC[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(C)c1 ZINC000301972674 456262376 /nfs/dbraw/zinc/26/23/76/456262376.db2.gz UGEKRGWJXOHMSW-CYBMUJFWSA-N 0 0 341.371 3.215 10 5 EGBERN CC[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1F ZINC000301991259 456266258 /nfs/dbraw/zinc/26/62/58/456266258.db2.gz MNZUIDNCXFEPMR-NSHDSACASA-N 0 0 345.334 3.046 10 5 EGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)n1 ZINC000301996465 456266936 /nfs/dbraw/zinc/26/69/36/456266936.db2.gz PXBCBPDSGXMYFV-GFCCVEGCSA-N 0 0 346.412 3.215 10 5 EGBERN CC[C@@H](NC(=O)NCCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000297630803 456268024 /nfs/dbraw/zinc/26/80/24/456268024.db2.gz CJPPBXJEPLLBBZ-OAHLLOKOSA-N 0 0 335.404 3.304 10 5 EGBERN COc1cc2c(cc1CNc1cc(CO)ccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000302029997 456271700 /nfs/dbraw/zinc/27/17/00/456271700.db2.gz JQJSSLIYQJUEIL-LLVKDONJSA-N 0 0 344.367 3.031 10 5 EGBERN Cc1cc([C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000601136113 460726211 /nfs/dbraw/zinc/72/62/11/460726211.db2.gz PEORGEQPAONRME-OAHLLOKOSA-N 0 0 335.310 3.154 10 5 EGBERN Cc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cn3)c(Cl)cc12 ZINC000302158282 456302322 /nfs/dbraw/zinc/30/23/22/456302322.db2.gz NSKYHOKGQZQQPJ-UHFFFAOYSA-N 0 0 333.687 3.245 10 5 EGBERN COC(=O)[C@H](Cc1ccc(F)cc1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275764846 456306199 /nfs/dbraw/zinc/30/61/99/456306199.db2.gz VGCDAXKVATVNJF-WBMJQRKESA-N 0 0 346.358 3.169 10 5 EGBERN CCO[C@H]1C[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000302208668 456318164 /nfs/dbraw/zinc/31/81/64/456318164.db2.gz XVCLCPCBLMTVMO-GJZGRUSLSA-N 0 0 334.372 3.141 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC(C)(C)OC1(C)C ZINC000601140574 460727764 /nfs/dbraw/zinc/72/77/64/460727764.db2.gz YSPMPCGELDPFGM-ZETCQYMHSA-N 0 0 336.314 3.105 10 5 EGBERN Cc1cn2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2n1 ZINC000347729361 456332100 /nfs/dbraw/zinc/33/21/00/456332100.db2.gz JAUUOSRNNMHRPP-LLVKDONJSA-N 0 0 342.330 3.432 10 5 EGBERN Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000275894543 456345271 /nfs/dbraw/zinc/34/52/71/456345271.db2.gz SHQOSENYCWJENX-UHFFFAOYSA-N 0 0 343.383 3.366 10 5 EGBERN Cc1cnc([C@H](C)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)s1 ZINC000601141987 460729330 /nfs/dbraw/zinc/72/93/30/460729330.db2.gz KBLSOJDYZGCMIZ-ZCFIWIBFSA-N 0 0 349.338 3.328 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000275927079 456353011 /nfs/dbraw/zinc/35/30/11/456353011.db2.gz ZGBJUYQDGBXTRB-LBPRGKRZSA-N 0 0 338.791 3.388 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000302580103 456362197 /nfs/dbraw/zinc/36/21/97/456362197.db2.gz SWDTVKNAARVEFI-LLVKDONJSA-N 0 0 346.353 3.373 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343037316 456366385 /nfs/dbraw/zinc/36/63/85/456366385.db2.gz ICTCLJGHBZDNAS-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN COC(=O)c1cnc(NCc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000302693813 456376516 /nfs/dbraw/zinc/37/65/16/456376516.db2.gz FWQDBXKBOBDKQY-UHFFFAOYSA-N 0 0 327.340 3.266 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(C)c(F)c1 ZINC000302709208 456380387 /nfs/dbraw/zinc/38/03/87/456380387.db2.gz KFZYFIILILTPAT-UHFFFAOYSA-N 0 0 331.347 3.038 10 5 EGBERN COC(=O)c1cnc(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000302768837 456395287 /nfs/dbraw/zinc/39/52/87/456395287.db2.gz MHXNMXDPESDUSS-OLZOCXBDSA-N 0 0 347.758 3.398 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000347840585 456398108 /nfs/dbraw/zinc/39/81/08/456398108.db2.gz DMHKWBAAIHVVPV-WPRPVWTQSA-N 0 0 332.278 3.016 10 5 EGBERN Cc1cc(NC(=O)N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352898402 456398192 /nfs/dbraw/zinc/39/81/92/456398192.db2.gz DNBUIPNZJUJESS-KRWDZBQOSA-N 0 0 333.388 3.328 10 5 EGBERN C[C@@](CO)(NCc1ccsc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601149523 460732228 /nfs/dbraw/zinc/73/22/28/460732228.db2.gz NPBGWAZCLCAVBO-AWEZNQCLSA-N 0 0 326.805 3.307 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc(OC(F)F)cn2)c(Cl)c1 ZINC000302801073 456404993 /nfs/dbraw/zinc/40/49/93/456404993.db2.gz CIZKXMWHUXZIRJ-UHFFFAOYSA-N 0 0 330.678 3.252 10 5 EGBERN C[C@H]1CCCN(C(=O)C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000302817525 456408625 /nfs/dbraw/zinc/40/86/25/456408625.db2.gz MOOZMTQWLUZWST-ZDUSSCGKSA-N 0 0 349.406 3.209 10 5 EGBERN C[C@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000343229553 456468942 /nfs/dbraw/zinc/46/89/42/456468942.db2.gz LZYYBLOVNOFCCM-HNNXBMFYSA-N 0 0 336.417 3.343 10 5 EGBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000303787893 456486846 /nfs/dbraw/zinc/48/68/46/456486846.db2.gz JJOOVDXYXJIBMO-AWEZNQCLSA-N 0 0 348.424 3.294 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000276538736 456509423 /nfs/dbraw/zinc/50/94/23/456509423.db2.gz FUHSSLRRQPVWDD-XJKSGUPXSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000276540962 456511215 /nfs/dbraw/zinc/51/12/15/456511215.db2.gz GFOIEPJQOMBJGL-SNVBAGLBSA-N 0 0 326.780 3.196 10 5 EGBERN Cn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C2CC2)n1 ZINC000291104877 456529845 /nfs/dbraw/zinc/52/98/45/456529845.db2.gz SDEBVAJACSQNIL-UHFFFAOYSA-N 0 0 326.312 3.204 10 5 EGBERN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(O)c1 ZINC000340591106 456553687 /nfs/dbraw/zinc/55/36/87/456553687.db2.gz HKZZRVXWSJIRMW-UHFFFAOYSA-N 0 0 344.323 3.038 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCCN3c4ccccc4C[C@@H]3C2)c(Cl)c1 ZINC000291189931 456558215 /nfs/dbraw/zinc/55/82/15/456558215.db2.gz SQCBUYBMFKWHFI-CQSZACIVSA-N 0 0 344.802 3.285 10 5 EGBERN COc1coc(CNc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1=O ZINC000340606942 456566602 /nfs/dbraw/zinc/56/66/02/456566602.db2.gz NIVVWYHQWOCKAM-UHFFFAOYSA-N 0 0 332.356 3.466 10 5 EGBERN CO[C@H]1CCCC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000340620542 456576536 /nfs/dbraw/zinc/57/65/36/456576536.db2.gz ISGKWXZVGROOGA-PBHICJAKSA-N 0 0 349.431 3.027 10 5 EGBERN CO[C@H](C)c1nsc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000337882280 456585640 /nfs/dbraw/zinc/58/56/40/456585640.db2.gz VLFKAGNVKKLAKR-SNVBAGLBSA-N 0 0 334.401 3.323 10 5 EGBERN NS(=O)(=O)c1cccc(Nc2csc3ccccc23)c1[N+](=O)[O-] ZINC000353261135 456595415 /nfs/dbraw/zinc/59/54/15/456595415.db2.gz CGCYDXRRJRDOFB-UHFFFAOYSA-N 0 0 349.393 3.201 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000276888498 456610779 /nfs/dbraw/zinc/61/07/79/456610779.db2.gz BQFYEMGFIVAMST-DOOHLRMFSA-N 0 0 330.384 3.254 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348454481 456693298 /nfs/dbraw/zinc/69/32/98/456693298.db2.gz YFYWPFLREHBSPW-PSASIEDQSA-N 0 0 347.293 3.408 10 5 EGBERN CCOC(=O)CN(CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000353561775 456761830 /nfs/dbraw/zinc/76/18/30/456761830.db2.gz KEUQBSBCJCWASU-UHFFFAOYSA-N 0 0 348.424 3.264 10 5 EGBERN COc1cc(N2CCN(C)c3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000343902374 456782238 /nfs/dbraw/zinc/78/22/38/456782238.db2.gz SUQFVTRTGMDNLJ-UHFFFAOYSA-N 0 0 331.347 3.199 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348619838 456784604 /nfs/dbraw/zinc/78/46/04/456784604.db2.gz DQMPIHHNGUYDJS-YVEFUNNKSA-N 0 0 325.368 3.328 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301129153 456804245 /nfs/dbraw/zinc/80/42/45/456804245.db2.gz QCVICOFYQKPRRB-GFCCVEGCSA-N 0 0 337.395 3.111 10 5 EGBERN O=C(c1ccccc1)c1ccc(N[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000301179088 456815328 /nfs/dbraw/zinc/81/53/28/456815328.db2.gz NTLCVXUHHUXMOC-OAHLLOKOSA-N 0 0 326.352 3.417 10 5 EGBERN CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000301222421 456824996 /nfs/dbraw/zinc/82/49/96/456824996.db2.gz CWIWUROCNLDMGO-OAHLLOKOSA-N 0 0 347.321 3.115 10 5 EGBERN O=c1ccccn1CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000301239250 456830380 /nfs/dbraw/zinc/83/03/80/456830380.db2.gz NNTNBBXHRGJVFA-UHFFFAOYSA-N 0 0 338.367 3.197 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccccc1 ZINC000301248180 456833737 /nfs/dbraw/zinc/83/37/37/456833737.db2.gz CFEGDHFVGBGMCV-INIZCTEOSA-N 0 0 329.331 3.341 10 5 EGBERN C[C@H](NC(=O)c1occc1Br)c1ccccc1[N+](=O)[O-] ZINC000341304255 456837962 /nfs/dbraw/zinc/83/79/62/456837962.db2.gz CLNWQRHPFZIMAA-QMMMGPOBSA-N 0 0 339.145 3.441 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000348810244 456865870 /nfs/dbraw/zinc/86/58/70/456865870.db2.gz MUGHSWIKSBDRCX-UHFFFAOYSA-N 0 0 334.322 3.440 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ncc(-c2cccc(F)c2)o1 ZINC000353766648 456898174 /nfs/dbraw/zinc/89/81/74/456898174.db2.gz KKDOFUJLKPETQX-UHFFFAOYSA-N 0 0 349.705 3.252 10 5 EGBERN CCc1ocnc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341731739 456919506 /nfs/dbraw/zinc/91/95/06/456919506.db2.gz WGYPAVQZEWMEDG-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(F)F)CC1CCC1 ZINC000341756361 456929910 /nfs/dbraw/zinc/92/99/10/456929910.db2.gz STJHIPTVJDHCGB-UHFFFAOYSA-N 0 0 341.358 3.209 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000353934099 456971457 /nfs/dbraw/zinc/97/14/57/456971457.db2.gz WHMKRYLFZXWXHF-KRWDZBQOSA-N 0 0 333.388 3.192 10 5 EGBERN CC1(C)CC[C@@H]2C[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])c3cccc1c32 ZINC000345638028 456985541 /nfs/dbraw/zinc/98/55/41/456985541.db2.gz XMHJGHOKIZDVFU-MFKMUULPSA-N 0 0 340.383 3.348 10 5 EGBERN Cc1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C2CC2)n1 ZINC000339198759 456988519 /nfs/dbraw/zinc/98/85/19/456988519.db2.gz NJVLJGFGRMWXJH-UHFFFAOYSA-N 0 0 346.774 3.405 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2C)c1 ZINC000362599725 456997995 /nfs/dbraw/zinc/99/79/95/456997995.db2.gz BKOIZSNZAYEJIV-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN CN(Cc1ccccc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358903355 457033093 /nfs/dbraw/zinc/03/30/93/457033093.db2.gz KYGVRQLRIKLCBC-UHFFFAOYSA-N 0 0 336.294 3.468 10 5 EGBERN NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330745623 457080446 /nfs/dbraw/zinc/08/04/46/457080446.db2.gz VXBCSCYKKZXWCM-SNVBAGLBSA-N 0 0 325.752 3.168 10 5 EGBERN CCC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000330791018 457085938 /nfs/dbraw/zinc/08/59/38/457085938.db2.gz SYWUCANDZRXQPI-UHFFFAOYSA-N 0 0 328.315 3.458 10 5 EGBERN O=C(COc1c(Cl)cncc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000349943414 457116781 /nfs/dbraw/zinc/11/67/81/457116781.db2.gz DFABWUFBFCYGSL-UHFFFAOYSA-N 0 0 331.715 3.386 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1OCc1noc(Cc2ccccc2)n1 ZINC000349946664 457117578 /nfs/dbraw/zinc/11/75/78/457117578.db2.gz LGWWTXLLQDNRHD-UHFFFAOYSA-N 0 0 346.730 3.196 10 5 EGBERN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000349973185 457127988 /nfs/dbraw/zinc/12/79/88/457127988.db2.gz LBFBBQVCOQXTQV-CQSZACIVSA-N 0 0 327.375 3.065 10 5 EGBERN CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356737867 457141986 /nfs/dbraw/zinc/14/19/86/457141986.db2.gz PZHPFFXAUACWKG-ZBEGNZNMSA-N 0 0 349.431 3.382 10 5 EGBERN COc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000359959494 457172556 /nfs/dbraw/zinc/17/25/56/457172556.db2.gz OGVSHJMTIPYGDH-LBPRGKRZSA-N 0 0 342.351 3.498 10 5 EGBERN Cn1nc2c(c1CNc1ccc([N+](=O)[O-])c3cccnc13)CCCC2 ZINC000359967806 457176878 /nfs/dbraw/zinc/17/68/78/457176878.db2.gz ZPSGOYVZAUPCFH-UHFFFAOYSA-N 0 0 337.383 3.367 10 5 EGBERN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000342282319 457210143 /nfs/dbraw/zinc/21/01/43/457210143.db2.gz PCJJWNHRFODCMR-RYUDHWBXSA-N 0 0 338.367 3.393 10 5 EGBERN Cc1cn2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339690475 457215505 /nfs/dbraw/zinc/21/55/05/457215505.db2.gz FBJCYMKYRSBCMP-UHFFFAOYSA-N 0 0 338.367 3.467 10 5 EGBERN CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342308913 457228607 /nfs/dbraw/zinc/22/86/07/457228607.db2.gz USPKLKBGRNBTBV-LBPRGKRZSA-N 0 0 341.367 3.087 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000360102238 457257055 /nfs/dbraw/zinc/25/70/55/457257055.db2.gz PTDFPUKLSCBJDK-DLBZAZTESA-N 0 0 335.367 3.452 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2cccnc2)c1 ZINC000360155314 457278866 /nfs/dbraw/zinc/27/88/66/457278866.db2.gz DAQPFBXLHCHTJU-CQSZACIVSA-N 0 0 327.340 3.118 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCc2ccc(N)nc2)cc1[N+](=O)[O-] ZINC000347213029 457291000 /nfs/dbraw/zinc/29/10/00/457291000.db2.gz JHUARPTWJISAEF-UHFFFAOYSA-N 0 0 343.387 3.022 10 5 EGBERN CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000340098637 457332887 /nfs/dbraw/zinc/33/28/87/457332887.db2.gz NMFKPLNQOUQODO-JTQLQIEISA-N 0 0 330.369 3.414 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCF ZINC000360829259 457372024 /nfs/dbraw/zinc/37/20/24/457372024.db2.gz AUCFHROAIAQQQP-UHFFFAOYSA-N 0 0 326.371 3.021 10 5 EGBERN CO[C@H](C)c1noc(CN(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375968 457385868 /nfs/dbraw/zinc/38/58/68/457385868.db2.gz SPPLBZMUGHFQNH-YQCJOKCJSA-N 0 0 346.387 3.221 10 5 EGBERN CCOc1cccc(NCc2cc(OC)c(O)c(OC)c2)c1[N+](=O)[O-] ZINC000357263508 457408150 /nfs/dbraw/zinc/40/81/50/457408150.db2.gz OLNPROJNYMNQMB-UHFFFAOYSA-N 0 0 348.355 3.328 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1[C@H](C)C1CC1 ZINC000342621268 457409054 /nfs/dbraw/zinc/40/90/54/457409054.db2.gz AMINGRQPYOWMQG-SECBINFHSA-N 0 0 334.401 3.115 10 5 EGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000363723645 457428923 /nfs/dbraw/zinc/42/89/23/457428923.db2.gz PKYLTSZEJHDDKB-SECBINFHSA-N 0 0 336.783 3.134 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000360918682 457433067 /nfs/dbraw/zinc/43/30/67/457433067.db2.gz LAEDFKBHDFJIMG-LLVKDONJSA-N 0 0 348.403 3.180 10 5 EGBERN C[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000363805841 457448964 /nfs/dbraw/zinc/44/89/64/457448964.db2.gz YZNUJOVEMBDMFM-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccon3)no2)c(Br)c1 ZINC000357369482 457475938 /nfs/dbraw/zinc/47/59/38/457475938.db2.gz HHBROGXIYZNMAV-UHFFFAOYSA-N 0 0 337.089 3.062 10 5 EGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000369957225 457477707 /nfs/dbraw/zinc/47/77/07/457477707.db2.gz GBBAGZXQTWHETE-VIFPVBQESA-N 0 0 336.783 3.134 10 5 EGBERN COc1cc(C)c([S@@](C)=O)cc1Oc1ccc([N+](=O)[O-])c(C)n1 ZINC000425280823 457480282 /nfs/dbraw/zinc/48/02/82/457480282.db2.gz YFWDXGNUIKZRIG-HSZRJFAPSA-N 0 0 336.369 3.145 10 5 EGBERN Cc1c(C(=O)N2CC[C@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000369995911 457492127 /nfs/dbraw/zinc/49/21/27/457492127.db2.gz MAHQRHYIQGSXHW-OAHLLOKOSA-N 0 0 325.368 3.003 10 5 EGBERN CO[C@H](C)CN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347562587 457509786 /nfs/dbraw/zinc/50/97/86/457509786.db2.gz GIOXFJWQYURALC-NEPJUHHUSA-N 0 0 326.368 3.109 10 5 EGBERN COc1ccc(NC(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000347583491 457527294 /nfs/dbraw/zinc/52/72/94/457527294.db2.gz AGTHCUNCESHXQH-NSHDSACASA-N 0 0 335.282 3.312 10 5 EGBERN C[C@H]1C[C@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490058 457560092 /nfs/dbraw/zinc/56/00/92/457560092.db2.gz UTZHMSXECGSGBI-VHSXEESVSA-N 0 0 339.298 3.400 10 5 EGBERN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000357561723 457595987 /nfs/dbraw/zinc/59/59/87/457595987.db2.gz XIESGNMYJQSLBK-ZDUSSCGKSA-N 0 0 343.387 3.042 10 5 EGBERN Cc1sc(C(=O)Nc2cn(C)nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000374561641 457661353 /nfs/dbraw/zinc/66/13/53/457661353.db2.gz IADQTVVJWKPRME-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN C[C@@H]1CC2(CCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000370631910 457686430 /nfs/dbraw/zinc/68/64/30/457686430.db2.gz UNGKJDPCRKDQMQ-GFCCVEGCSA-N 0 0 327.384 3.410 10 5 EGBERN CC(C)c1[nH]nc(-c2nc(-c3ncsc3Cl)no2)c1[N+](=O)[O-] ZINC000361360445 457706224 /nfs/dbraw/zinc/70/62/24/457706224.db2.gz QCHDGAZFFGKLHM-UHFFFAOYSA-N 0 0 340.752 3.268 10 5 EGBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@H](Oc2ccccc2)C1 ZINC000370817574 457724808 /nfs/dbraw/zinc/72/48/08/457724808.db2.gz WEKLPIIVKXYHCD-LBPRGKRZSA-N 0 0 348.305 3.167 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCCC3)cc2)n1 ZINC000357900728 457727861 /nfs/dbraw/zinc/72/78/61/457727861.db2.gz WMYPQACFSMZCHK-UHFFFAOYSA-N 0 0 344.371 3.292 10 5 EGBERN CC(C)(C)C1CC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000457583721 457755353 /nfs/dbraw/zinc/75/53/53/457755353.db2.gz BVCXCNOXBRVHGA-JXQTWKCFSA-N 0 0 346.431 3.075 10 5 EGBERN O=C(NCCCCF)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000361554256 457793370 /nfs/dbraw/zinc/79/33/70/457793370.db2.gz ZMQRUZKMSSNEJZ-UHFFFAOYSA-N 0 0 337.273 3.163 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000358129977 457804754 /nfs/dbraw/zinc/80/47/54/457804754.db2.gz VFMBCKPTVHVREN-GXTWGEPZSA-N 0 0 346.362 3.016 10 5 EGBERN CC(C)CN(C1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443707285 457805545 /nfs/dbraw/zinc/80/55/45/457805545.db2.gz JVGVFZQMQOHDNE-UHFFFAOYSA-N 0 0 340.445 3.325 10 5 EGBERN COc1c(C(=O)Nc2ncc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000361835589 457896009 /nfs/dbraw/zinc/89/60/09/457896009.db2.gz BDFDWAJSZPVNBP-UHFFFAOYSA-N 0 0 347.274 3.331 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444687206 457939449 /nfs/dbraw/zinc/93/94/49/457939449.db2.gz AFDAHVBYHPTDRT-NSHDSACASA-N 0 0 345.321 3.116 10 5 EGBERN Cc1ccc(CC[C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])o1 ZINC000434245927 457964727 /nfs/dbraw/zinc/96/47/27/457964727.db2.gz ZTZUBCZCXMSYHI-JTQLQIEISA-N 0 0 334.376 3.094 10 5 EGBERN C[C@@H](CC1CC1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445008137 458004863 /nfs/dbraw/zinc/00/48/63/458004863.db2.gz PTOJZUGLFLJDPQ-LURJTMIESA-N 0 0 333.207 3.337 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2ccccc2Cl)n1 ZINC000445576009 458065649 /nfs/dbraw/zinc/06/56/49/458065649.db2.gz HXVUMNISSBUEDR-SREVYHEPSA-N 0 0 331.719 3.202 10 5 EGBERN COC1(c2noc(/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000445795189 458088639 /nfs/dbraw/zinc/08/86/39/458088639.db2.gz NJMVRTOXXZFLKH-QXMHVHEDSA-N 0 0 345.355 3.190 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000428284134 458112676 /nfs/dbraw/zinc/11/26/76/458112676.db2.gz JSBXVNKGQQOEPB-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000375912506 458121290 /nfs/dbraw/zinc/12/12/90/458121290.db2.gz CAEXPYINOHWLSR-LLVKDONJSA-N 0 0 342.399 3.359 10 5 EGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412193136 458123824 /nfs/dbraw/zinc/12/38/24/458123824.db2.gz DYAIZHAAIWJPPE-OWLYRPNTSA-N 0 0 346.427 3.146 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CCC[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000412218415 458132067 /nfs/dbraw/zinc/13/20/67/458132067.db2.gz RZLHNLKDTGUEGN-LSDHHAIUSA-N 0 0 348.399 3.023 10 5 EGBERN CCc1nc([C@@H]2CCCCN2Cc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000369234051 458137225 /nfs/dbraw/zinc/13/72/25/458137225.db2.gz AMTKWGBOCARSCO-AWEZNQCLSA-N 0 0 346.387 3.276 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446333350 458179179 /nfs/dbraw/zinc/17/91/79/458179179.db2.gz RHRYVWMGNRNFTL-JTQLQIEISA-N 0 0 349.774 3.451 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000446343833 458180929 /nfs/dbraw/zinc/18/09/29/458180929.db2.gz QQTQMUOXUVIZCM-MRXNPFEDSA-N 0 0 345.443 3.316 10 5 EGBERN COc1cccc(C(=O)N[C@@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000435805543 458208274 /nfs/dbraw/zinc/20/82/74/458208274.db2.gz YACCKRNEDKCLPN-NSHDSACASA-N 0 0 332.356 3.256 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000446698530 458214774 /nfs/dbraw/zinc/21/47/74/458214774.db2.gz XRFIQGDTNGPVGJ-LJQANCHMSA-N 0 0 339.395 3.197 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000376340076 458272032 /nfs/dbraw/zinc/27/20/32/458272032.db2.gz JNGLPFAZHNVSQH-BYIUCRAPSA-N 0 0 342.351 3.191 10 5 EGBERN CCCCOc1ncccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447676970 458329160 /nfs/dbraw/zinc/32/91/60/458329160.db2.gz DSLVFIZHYNHZGV-UHFFFAOYSA-N 0 0 341.371 3.079 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4C[C@H]3CS4)cs2)c1 ZINC000459750635 458467431 /nfs/dbraw/zinc/46/74/31/458467431.db2.gz JFONVHXWRYRQHP-KBPBESRZSA-N 0 0 333.438 3.408 10 5 EGBERN CO[C@@H](Cc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000459984877 458493905 /nfs/dbraw/zinc/49/39/05/458493905.db2.gz IUBHRDDIBUVPIP-ACJLOTCBSA-N 0 0 340.379 3.130 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000462393110 458616865 /nfs/dbraw/zinc/61/68/65/458616865.db2.gz JYNBIJUJECXQFP-UHFFFAOYSA-N 0 0 338.429 3.248 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000462498620 458626174 /nfs/dbraw/zinc/62/61/74/458626174.db2.gz BUJVFEYUMTXXKN-KBPBESRZSA-N 0 0 338.429 3.150 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000494385079 458668980 /nfs/dbraw/zinc/66/89/80/458668980.db2.gz MEQCFRKZVZJXAZ-ZDUSSCGKSA-N 0 0 328.368 3.273 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](CC)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000546878130 458683021 /nfs/dbraw/zinc/68/30/21/458683021.db2.gz GMXXOKILBATHQT-JTQLQIEISA-N 0 0 334.294 3.454 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000432145968 458690042 /nfs/dbraw/zinc/69/00/42/458690042.db2.gz YDSZZYVMXOSMLN-UHFFFAOYSA-N 0 0 347.806 3.175 10 5 EGBERN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](COC)Cc1ccccc1 ZINC000471435960 458694029 /nfs/dbraw/zinc/69/40/29/458694029.db2.gz JGBZGXXJUUXQFW-AWEZNQCLSA-N 0 0 348.424 3.376 10 5 EGBERN COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000456495277 458695477 /nfs/dbraw/zinc/69/54/77/458695477.db2.gz BRGKJXNNQPOIRI-DLBZAZTESA-N 0 0 326.352 3.198 10 5 EGBERN O=[N+]([O-])c1cccc2c(NC[C@H]3COc4ccccc4O3)ccnc21 ZINC000432322776 458715261 /nfs/dbraw/zinc/71/52/61/458715261.db2.gz ACJHBPPGSURULG-LBPRGKRZSA-N 0 0 337.335 3.395 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000494680759 458727298 /nfs/dbraw/zinc/72/72/98/458727298.db2.gz JHONLZBDYXSHNE-LLVKDONJSA-N 0 0 332.356 3.256 10 5 EGBERN Cc1nc([C@@](C)(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000432459784 458743504 /nfs/dbraw/zinc/74/35/04/458743504.db2.gz KGAIXFKUSCAHLY-INIZCTEOSA-N 0 0 345.359 3.042 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H](c2nc[nH]n2)c2ccccc2)ccc2ncccc21 ZINC000547958883 458814197 /nfs/dbraw/zinc/81/41/97/458814197.db2.gz OSAQYQMVGLQXEF-MRXNPFEDSA-N 0 0 346.350 3.463 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccn(C2CCCC2)n1 ZINC000473517294 458832638 /nfs/dbraw/zinc/83/26/38/458832638.db2.gz IABMQPKLFVEWQV-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000457084999 458859839 /nfs/dbraw/zinc/85/98/39/458859839.db2.gz NNESEBIRGCWANY-NSHDSACASA-N 0 0 326.780 3.137 10 5 EGBERN CSc1ccc(C(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000457211138 458898904 /nfs/dbraw/zinc/89/89/04/458898904.db2.gz HLSKSMKCHNPEDY-UHFFFAOYSA-N 0 0 330.356 3.482 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nc2cccc(Cl)c2n1C ZINC000466633068 458910285 /nfs/dbraw/zinc/91/02/85/458910285.db2.gz DIJFWZBWUPYTFV-UHFFFAOYSA-N 0 0 330.775 3.477 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)C1 ZINC000441429300 458940907 /nfs/dbraw/zinc/94/09/07/458940907.db2.gz OOVJZEWKZCYZFB-UWVGGRQHSA-N 0 0 346.305 3.253 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000556396427 458956120 /nfs/dbraw/zinc/95/61/20/458956120.db2.gz WIFLLYIFDMBILU-JJRVBVJISA-N 0 0 334.416 3.266 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cccnc1OCC(F)F ZINC000566571842 458963686 /nfs/dbraw/zinc/96/36/86/458963686.db2.gz KMVYZXLTXLOIIK-UHFFFAOYSA-N 0 0 339.298 3.254 10 5 EGBERN COc1c(C(=O)Nc2cccc3c2OCCC3)cccc1[N+](=O)[O-] ZINC000476334556 458996236 /nfs/dbraw/zinc/99/62/36/458996236.db2.gz JEMDYNJCEAQOKX-UHFFFAOYSA-N 0 0 328.324 3.181 10 5 EGBERN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])O2 ZINC000476564153 459007087 /nfs/dbraw/zinc/00/70/87/459007087.db2.gz MURMMVKRKRXPMW-UGSOOPFHSA-N 0 0 340.379 3.474 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2cc(Cl)ccc21 ZINC000520109403 459032828 /nfs/dbraw/zinc/03/28/28/459032828.db2.gz UGFWFTBSRHHHDA-AWEZNQCLSA-N 0 0 345.786 3.464 10 5 EGBERN Cc1ccc(-c2noc(C[C@H](O)Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000567034944 459037137 /nfs/dbraw/zinc/03/71/37/459037137.db2.gz NWMYYHBMURRKTI-OAHLLOKOSA-N 0 0 339.351 3.099 10 5 EGBERN Cc1ccnc(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000577488320 459041014 /nfs/dbraw/zinc/04/10/14/459041014.db2.gz SMKRGOYTHFQYSG-AAEUAGOBSA-N 0 0 335.404 3.102 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477694835 459054463 /nfs/dbraw/zinc/05/44/63/459054463.db2.gz PJXBXUKEENVVLT-LLVKDONJSA-N 0 0 340.301 3.275 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(C1)CCOCC2 ZINC000590335222 459117603 /nfs/dbraw/zinc/11/76/03/459117603.db2.gz UZNSQPRBBRGULU-UHFFFAOYSA-N 0 0 332.381 3.062 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401272 459125256 /nfs/dbraw/zinc/12/52/56/459125256.db2.gz JZHDCIQOFLQXDI-CQSZACIVSA-N 0 0 325.368 3.318 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(O)cc(C(F)(F)F)c1 ZINC000590424792 459128196 /nfs/dbraw/zinc/12/81/96/459128196.db2.gz VMJXIQCUYPHMMX-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN COC[C@H](CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)OC ZINC000594704969 459135025 /nfs/dbraw/zinc/13/50/25/459135025.db2.gz IGFWMQQXSZWVOG-KRWDZBQOSA-N 0 0 332.356 3.460 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000567620875 459135267 /nfs/dbraw/zinc/13/52/67/459135267.db2.gz RLCYXQKOVWIZLM-JLJPHGGASA-N 0 0 336.432 3.077 10 5 EGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000590574778 459152427 /nfs/dbraw/zinc/15/24/27/459152427.db2.gz LURLBTKPTNPCNI-VIFPVBQESA-N 0 0 342.779 3.039 10 5 EGBERN CC[C@@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000594864231 459163239 /nfs/dbraw/zinc/16/32/39/459163239.db2.gz TVVUUAQGFYCLFO-CYBMUJFWSA-N 0 0 332.809 3.105 10 5 EGBERN CN(C[C@@H]1CCc2ccccc21)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595477445 459316120 /nfs/dbraw/zinc/31/61/20/459316120.db2.gz SXVSMBMUGUNSAC-INIZCTEOSA-N 0 0 339.395 3.466 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000591153036 459324145 /nfs/dbraw/zinc/32/41/45/459324145.db2.gz NTMMXCRVKKENKN-MRVPVSSYSA-N 0 0 341.236 3.217 10 5 EGBERN CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000591177296 459329111 /nfs/dbraw/zinc/32/91/11/459329111.db2.gz RFIDAFJPAGLHEG-WMZOPIPTSA-N 0 0 341.411 3.442 10 5 EGBERN COc1ncc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl ZINC000534509598 459329253 /nfs/dbraw/zinc/32/92/53/459329253.db2.gz AIBOCWPSZRZIOE-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000595544196 459341074 /nfs/dbraw/zinc/34/10/74/459341074.db2.gz NDVPCYZMTOLVQO-YDHLFZDLSA-N 0 0 335.404 3.221 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595551864 459344150 /nfs/dbraw/zinc/34/41/50/459344150.db2.gz ZEWVPCBDOFZILB-ACJLOTCBSA-N 0 0 347.415 3.175 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3ccco3)CC2)c1 ZINC000595616175 459369998 /nfs/dbraw/zinc/36/99/98/459369998.db2.gz PUEVRJHDJFNOLD-UHFFFAOYSA-N 0 0 344.367 3.354 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cscn1 ZINC000595669541 459389233 /nfs/dbraw/zinc/38/92/33/459389233.db2.gz WITZUPLRLTYLFK-NSHDSACASA-N 0 0 334.401 3.039 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc(N3CCCNC3=O)c2)n1 ZINC000541005086 459416210 /nfs/dbraw/zinc/41/62/10/459416210.db2.gz KPCNAIBIADXQNN-UHFFFAOYSA-N 0 0 341.371 3.270 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484563898 459419786 /nfs/dbraw/zinc/41/97/86/459419786.db2.gz FBMWTHMBPIEVLZ-DNVCBOLYSA-N 0 0 342.395 3.436 10 5 EGBERN C[C@@]12COC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761641 459429314 /nfs/dbraw/zinc/42/93/14/459429314.db2.gz YZCZZRCDDGJFTR-BXUZGUMPSA-N 0 0 330.306 3.082 10 5 EGBERN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Cl)cc1 ZINC000485019465 459438248 /nfs/dbraw/zinc/43/82/48/459438248.db2.gz RUNCCVYITJCNGG-VIFPVBQESA-N 0 0 348.742 3.468 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525316983 459446866 /nfs/dbraw/zinc/44/68/66/459446866.db2.gz BDMPJTKAYHRBRK-CQSZACIVSA-N 0 0 335.404 3.338 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000595885451 459473667 /nfs/dbraw/zinc/47/36/67/459473667.db2.gz HRQXLAAISUJJHA-LLVKDONJSA-N 0 0 338.713 3.401 10 5 EGBERN COc1ccc(CC(=O)N[C@@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000525674197 459474946 /nfs/dbraw/zinc/47/49/46/459474946.db2.gz WYSPARGNNXZFQK-LBPRGKRZSA-N 0 0 346.383 3.185 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000595886536 459475109 /nfs/dbraw/zinc/47/51/09/459475109.db2.gz OSCIIGAIKGFGGR-CYBMUJFWSA-N 0 0 348.321 3.147 10 5 EGBERN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889128 459475651 /nfs/dbraw/zinc/47/56/51/459475651.db2.gz HFRUTTNJYQRWIN-UWVGGRQHSA-N 0 0 336.285 3.276 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000591925378 459487637 /nfs/dbraw/zinc/48/76/37/459487637.db2.gz NAGSIXKECQDKSM-HUUCEWRRSA-N 0 0 331.416 3.122 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595921623 459487694 /nfs/dbraw/zinc/48/76/94/459487694.db2.gz XNSBPMAPLOOXJY-BDJLRTHQSA-N 0 0 344.358 3.238 10 5 EGBERN CCOC(=O)Cc1ccc(NC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000591933595 459491015 /nfs/dbraw/zinc/49/10/15/459491015.db2.gz JGPQDSJAVQQQNL-ZDUSSCGKSA-N 0 0 336.388 3.070 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596004693 459493562 /nfs/dbraw/zinc/49/35/62/459493562.db2.gz MEPYWFQIZOHRTG-UHFFFAOYSA-N 0 0 348.790 3.196 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C2CCC2)s1 ZINC000591999982 459508994 /nfs/dbraw/zinc/50/89/94/459508994.db2.gz QSQRLIQMMKZJEA-NSHDSACASA-N 0 0 344.458 3.219 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3c(F)cccc3Cl)C2)s1 ZINC000592007490 459510066 /nfs/dbraw/zinc/51/00/66/459510066.db2.gz WBNHRHXEKNAFNJ-SNVBAGLBSA-N 0 0 343.767 3.422 10 5 EGBERN COc1cc(NC2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1C ZINC000596077666 459510750 /nfs/dbraw/zinc/51/07/50/459510750.db2.gz LKMODRZTMHTLLZ-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN CCc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000562120923 459514191 /nfs/dbraw/zinc/51/41/91/459514191.db2.gz SDNWTIYCUPLKRX-OAHLLOKOSA-N 0 0 325.368 3.182 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C2CCC2)c(F)c1 ZINC000592114726 459526353 /nfs/dbraw/zinc/52/63/53/459526353.db2.gz UGFKUJOWQKGCMB-AWEZNQCLSA-N 0 0 342.392 3.077 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592115451 459527666 /nfs/dbraw/zinc/52/76/66/459527666.db2.gz ZQVNKZYZKXVNOR-OAHLLOKOSA-N 0 0 338.429 3.079 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596130856 459531423 /nfs/dbraw/zinc/53/14/23/459531423.db2.gz ZREPKWOARSUSPP-DTWKUNHWSA-N 0 0 344.820 3.365 10 5 EGBERN COc1cc(NCCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1C ZINC000596175564 459548127 /nfs/dbraw/zinc/54/81/27/459548127.db2.gz UOZCMBIQGPBKQE-UHFFFAOYSA-N 0 0 328.372 3.234 10 5 EGBERN CCCC[C@@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592213154 459550765 /nfs/dbraw/zinc/55/07/65/459550765.db2.gz RSZYWYPPFXKRPY-AWEZNQCLSA-N 0 0 329.784 3.311 10 5 EGBERN COc1cc(NCCCc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1C ZINC000596184040 459552841 /nfs/dbraw/zinc/55/28/41/459552841.db2.gz DJMSGHSUQSNAKM-UHFFFAOYSA-N 0 0 332.404 3.307 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596187751 459553459 /nfs/dbraw/zinc/55/34/59/459553459.db2.gz WZVSYVDOWHWDPS-VHSXEESVSA-N 0 0 342.779 3.262 10 5 EGBERN COC(=O)c1c(Cl)c(N2CC3(C2)CC(F)(F)C3)ccc1[N+](=O)[O-] ZINC000596223682 459566137 /nfs/dbraw/zinc/56/61/37/459566137.db2.gz URBATPJNHLEOSC-UHFFFAOYSA-N 0 0 346.717 3.270 10 5 EGBERN COCC1(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000596237183 459570052 /nfs/dbraw/zinc/57/00/52/459570052.db2.gz DYEGSUUEXXEUBO-UHFFFAOYSA-N 0 0 344.795 3.112 10 5 EGBERN COc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596255782 459575804 /nfs/dbraw/zinc/57/58/04/459575804.db2.gz UMYXTQJFGGDOKE-NSHDSACASA-N 0 0 339.823 3.177 10 5 EGBERN CC(C)(CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000596288144 459585845 /nfs/dbraw/zinc/58/58/45/459585845.db2.gz BDQLHIRXAVTPFB-AWEZNQCLSA-N 0 0 348.321 3.203 10 5 EGBERN CCC[C@@H](C)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596290599 459586955 /nfs/dbraw/zinc/58/69/55/459586955.db2.gz OOXNGTDPBRWWPA-KOLCDFICSA-N 0 0 344.795 3.244 10 5 EGBERN O=[N+]([O-])c1cc(N2CCC(C3(O)CC3)CC2)ccc1C(F)(F)F ZINC000596290638 459586790 /nfs/dbraw/zinc/58/67/90/459586790.db2.gz QGRXGWDCOKTHHG-UHFFFAOYSA-N 0 0 330.306 3.355 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H](C)COCC2CC2)ccc1[N+](=O)[O-] ZINC000596295490 459587488 /nfs/dbraw/zinc/58/74/88/459587488.db2.gz NUUUDTJGPNYODS-SECBINFHSA-N 0 0 342.779 3.262 10 5 EGBERN CO[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596318571 459594739 /nfs/dbraw/zinc/59/47/39/459594739.db2.gz OLTIAGYUWDTKLT-RNCFNFMXSA-N 0 0 334.294 3.077 10 5 EGBERN CO[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000596319225 459595309 /nfs/dbraw/zinc/59/53/09/459595309.db2.gz VQZUNJPOZKJZHV-RNCFNFMXSA-N 0 0 334.294 3.077 10 5 EGBERN COC[C@@H](CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000596330936 459598234 /nfs/dbraw/zinc/59/82/34/459598234.db2.gz SDKFQWMHPMGAIF-SNVBAGLBSA-N 0 0 336.310 3.385 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@](C)(C2CC2)C1 ZINC000596337534 459600460 /nfs/dbraw/zinc/60/04/60/459600460.db2.gz BBDYYTILBYCUHX-GOSISDBHSA-N 0 0 343.383 3.157 10 5 EGBERN CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904738 459610517 /nfs/dbraw/zinc/61/05/17/459610517.db2.gz KHYRKXOBYOXIAY-GXTWGEPZSA-N 0 0 327.375 3.317 10 5 EGBERN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000499157580 459624782 /nfs/dbraw/zinc/62/47/82/459624782.db2.gz QCVIQIZVIZMADL-QMMMGPOBSA-N 0 0 339.193 3.432 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596455713 459642598 /nfs/dbraw/zinc/64/25/98/459642598.db2.gz WIXLOSDQAYKSAA-UONOGXRCSA-N 0 0 342.399 3.462 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000596478235 459650007 /nfs/dbraw/zinc/65/00/07/459650007.db2.gz QEXPLXVJEQVGGH-UHFFFAOYSA-N 0 0 331.347 3.125 10 5 EGBERN C[C@]1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1(F)F ZINC000596477661 459650388 /nfs/dbraw/zinc/65/03/88/459650388.db2.gz NTSYUEIUFLIBOE-CQSZACIVSA-N 0 0 345.321 3.028 10 5 EGBERN CC(=O)c1cc(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596488009 459654253 /nfs/dbraw/zinc/65/42/53/459654253.db2.gz LBCFVDPDKYCNPE-WMLDXEAASA-N 0 0 342.399 3.354 10 5 EGBERN COc1cc(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596490132 459655024 /nfs/dbraw/zinc/65/50/24/459655024.db2.gz ZWRUPYZKWGEYPM-UKRRQHHQSA-N 0 0 330.388 3.160 10 5 EGBERN COC(=O)C[C@@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000596492784 459656212 /nfs/dbraw/zinc/65/62/12/459656212.db2.gz LKWJNUPURJZTPP-JTQLQIEISA-N 0 0 342.779 3.258 10 5 EGBERN CC1(C)[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000596513251 459661794 /nfs/dbraw/zinc/66/17/94/459661794.db2.gz SFOUFTGYIJYQGW-QMMMGPOBSA-N 0 0 336.136 3.456 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000592681984 459664056 /nfs/dbraw/zinc/66/40/56/459664056.db2.gz WMHZORWPTNXQSL-UHFFFAOYSA-N 0 0 339.395 3.280 10 5 EGBERN O=c1[nH]c(N2CCC[C@@H](C3CCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596525166 459665531 /nfs/dbraw/zinc/66/55/31/459665531.db2.gz JSJYZFICWWGORK-GFCCVEGCSA-N 0 0 328.372 3.260 10 5 EGBERN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555648 459674989 /nfs/dbraw/zinc/67/49/89/459674989.db2.gz SBJBKWDZYCNQAC-APPZFPTMSA-N 0 0 339.701 3.189 10 5 EGBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](CC(F)(F)F)O1 ZINC000596554832 459675181 /nfs/dbraw/zinc/67/51/81/459675181.db2.gz MXTGRMKJBLIORC-WPRPVWTQSA-N 0 0 344.293 3.017 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596554773 459675264 /nfs/dbraw/zinc/67/52/64/459675264.db2.gz LYBYHPLDEQURJD-SKDRFNHKSA-N 0 0 346.305 3.344 10 5 EGBERN CCOc1cccc(N2CCO[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596558093 459676183 /nfs/dbraw/zinc/67/61/83/459676183.db2.gz NBJDSWHKRZDGML-JTQLQIEISA-N 0 0 334.294 3.151 10 5 EGBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C1CCC1 ZINC000592734722 459680002 /nfs/dbraw/zinc/68/00/02/459680002.db2.gz HASHJSIOZQAUHZ-HNNXBMFYSA-N 0 0 328.372 3.266 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc2c(c1)CCCO2 ZINC000596572268 459680976 /nfs/dbraw/zinc/68/09/76/459680976.db2.gz DJNZEALETJCUOU-NSHDSACASA-N 0 0 343.383 3.167 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H](C)[C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596589385 459686673 /nfs/dbraw/zinc/68/66/73/459686673.db2.gz DGJVIYAWNRGGDQ-DOMZBBRYSA-N 0 0 331.372 3.235 10 5 EGBERN CO[C@@H]1CC[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000596591953 459687973 /nfs/dbraw/zinc/68/79/73/459687973.db2.gz QTLZVZZQUKKTBS-GXFFZTMASA-N 0 0 342.355 3.332 10 5 EGBERN Cc1ccn([C@H](C)Cc2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)n1 ZINC000596600167 459693661 /nfs/dbraw/zinc/69/36/61/459693661.db2.gz BLJCPZMZNWOTMK-GFCCVEGCSA-N 0 0 327.344 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)CC(F)F)c1 ZINC000592825636 459699410 /nfs/dbraw/zinc/69/94/10/459699410.db2.gz CPSMPGPNOBSOSY-LLVKDONJSA-N 0 0 330.331 3.080 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@](C)(c3ccccc3)C2)n1 ZINC000543790550 459700392 /nfs/dbraw/zinc/70/03/92/459700392.db2.gz SCQZVYXBSYICDD-SFHVURJKSA-N 0 0 327.384 3.359 10 5 EGBERN CCC1(CC)CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000592829583 459700745 /nfs/dbraw/zinc/70/07/45/459700745.db2.gz QXILTFYTLSJANF-UHFFFAOYSA-N 0 0 349.416 3.322 10 5 EGBERN CC1(CC(F)F)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592835352 459701391 /nfs/dbraw/zinc/70/13/91/459701391.db2.gz NXCXAHMKIOEGDE-UHFFFAOYSA-N 0 0 332.734 3.294 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000592872697 459707988 /nfs/dbraw/zinc/70/79/88/459707988.db2.gz DFSSNXVTVAFLCB-TXEJJXNPSA-N 0 0 331.372 3.152 10 5 EGBERN Cc1ccc(NC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000596638427 459709178 /nfs/dbraw/zinc/70/91/78/459709178.db2.gz VIAUPDIJTNDCQI-HDICACEKSA-N 0 0 345.399 3.328 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCc3ccccc3N2)c1 ZINC000543902690 459711488 /nfs/dbraw/zinc/71/14/88/459711488.db2.gz SCMNOTAIVYNACB-CQSZACIVSA-N 0 0 341.367 3.220 10 5 EGBERN Cn1c(C(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592899809 459715810 /nfs/dbraw/zinc/71/58/10/459715810.db2.gz DKSBKYZEVBTYQG-QGZVFWFLSA-N 0 0 337.379 3.467 10 5 EGBERN CC(C)[C@H]1N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592901171 459716773 /nfs/dbraw/zinc/71/67/73/459716773.db2.gz JTVZHQBOTRLAPI-QGZVFWFLSA-N 0 0 330.384 3.177 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000592943294 459722088 /nfs/dbraw/zinc/72/20/88/459722088.db2.gz XUQZCQMYMAUDFU-GXTWGEPZSA-N 0 0 348.399 3.143 10 5 EGBERN CC(C)c1nccc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000573716926 459723851 /nfs/dbraw/zinc/72/38/51/459723851.db2.gz MCDGVALNFRDDGG-UHFFFAOYSA-N 0 0 325.372 3.066 10 5 EGBERN Cc1c(CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cnn1C ZINC000584404166 459729694 /nfs/dbraw/zinc/72/96/94/459729694.db2.gz CXEYQDQMKNSUMY-UHFFFAOYSA-N 0 0 337.383 3.335 10 5 EGBERN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421009 459735547 /nfs/dbraw/zinc/73/55/47/459735547.db2.gz ZJSQLRYKVLYSNE-IUODEOHRSA-N 0 0 341.415 3.251 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000596845543 459776840 /nfs/dbraw/zinc/77/68/40/459776840.db2.gz WYDFEHFJLUUIJM-NSHDSACASA-N 0 0 329.303 3.016 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000596844372 459776911 /nfs/dbraw/zinc/77/69/11/459776911.db2.gz XASFOKFQDCPELT-MEBBXXQBSA-N 0 0 343.330 3.180 10 5 EGBERN CC12CC(C1)CN2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900691 459790285 /nfs/dbraw/zinc/79/02/85/459790285.db2.gz UGAAMQWOJWXGTA-UHFFFAOYSA-N 0 0 340.177 3.374 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596899838 459790309 /nfs/dbraw/zinc/79/03/09/459790309.db2.gz VXRCQNHABBQOAN-STQMWFEESA-N 0 0 347.415 3.393 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)COCC1CC1 ZINC000596913445 459794304 /nfs/dbraw/zinc/79/43/04/459794304.db2.gz YUBBUDRSFVSQHD-CQSZACIVSA-N 0 0 335.404 3.484 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584757661 459796373 /nfs/dbraw/zinc/79/63/73/459796373.db2.gz QLLLGDDADJPJDQ-KBPBESRZSA-N 0 0 342.395 3.454 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584757664 459796401 /nfs/dbraw/zinc/79/64/01/459796401.db2.gz QLLLGDDADJPJDQ-ZIAGYGMSSA-N 0 0 342.395 3.454 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCOC1(C)C ZINC000596930948 459798746 /nfs/dbraw/zinc/79/87/46/459798746.db2.gz NPSKLKFKNURGFJ-OAHLLOKOSA-N 0 0 349.431 3.330 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000593214617 459810245 /nfs/dbraw/zinc/81/02/45/459810245.db2.gz OEYIYUWAXIGIHQ-UHFFFAOYSA-N 0 0 327.340 3.135 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOCC12CCCCC2 ZINC000574440743 459818973 /nfs/dbraw/zinc/81/89/73/459818973.db2.gz ZUELRKRZLCMPDX-UHFFFAOYSA-N 0 0 332.400 3.387 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090558 459835592 /nfs/dbraw/zinc/83/55/92/459835592.db2.gz NMARZBNAYFHTTG-MRVPVSSYSA-N 0 0 326.784 3.483 10 5 EGBERN COC/C(C)=C\c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000593304974 459835800 /nfs/dbraw/zinc/83/58/00/459835800.db2.gz UTNNIRHQKJOIML-NTMALXAHSA-N 0 0 330.344 3.053 10 5 EGBERN COC[C@H](C)Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000593308225 459836459 /nfs/dbraw/zinc/83/64/59/459836459.db2.gz RVHUGODLZWECFS-MRVPVSSYSA-N 0 0 343.286 3.071 10 5 EGBERN C[C@@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094161 459836375 /nfs/dbraw/zinc/83/63/75/459836375.db2.gz MKOAFKBERASZDS-DTORHVGOSA-N 0 0 326.784 3.340 10 5 EGBERN CSC[C@H]1CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100199 459837305 /nfs/dbraw/zinc/83/73/05/459837305.db2.gz GNTROMRDYFXUQR-SECBINFHSA-N 0 0 344.824 3.190 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(c3ccccn3)CC2)n1 ZINC000566326585 459843922 /nfs/dbraw/zinc/84/39/22/459843922.db2.gz XBBOONBBHIYXDD-UHFFFAOYSA-N 0 0 330.363 3.467 10 5 EGBERN CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1cccc(Cl)c1 ZINC000545776544 459854084 /nfs/dbraw/zinc/85/40/84/459854084.db2.gz SSXIZAYSMCCYAC-CYBMUJFWSA-N 0 0 346.730 3.429 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000593357478 459860730 /nfs/dbraw/zinc/86/07/30/459860730.db2.gz GBFWKPQCZGFYAT-CYBMUJFWSA-N 0 0 336.388 3.096 10 5 EGBERN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC2CCC1CC2 ZINC000593372993 459869976 /nfs/dbraw/zinc/86/99/76/459869976.db2.gz NYXJXLKJZZGLPD-WTIISPKJSA-N 0 0 346.383 3.268 10 5 EGBERN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593373430 459870114 /nfs/dbraw/zinc/87/01/14/459870114.db2.gz RBZQPVKAGZFALQ-ZFWWWQNUSA-N 0 0 335.404 3.175 10 5 EGBERN CC1(C)[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000598339970 459871931 /nfs/dbraw/zinc/87/19/31/459871931.db2.gz FIDDLYYMFWUZNL-LLVKDONJSA-N 0 0 330.356 3.094 10 5 EGBERN Cc1sc(C(=O)NC2CC(OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545921070 459872072 /nfs/dbraw/zinc/87/20/72/459872072.db2.gz ZKKFWPUXMXMKDU-UHFFFAOYSA-N 0 0 346.408 3.442 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000598351931 459876290 /nfs/dbraw/zinc/87/62/90/459876290.db2.gz OPIMUFNUGIOTGG-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN CCc1coc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC000574819343 459877517 /nfs/dbraw/zinc/87/75/17/459877517.db2.gz ASEAKXDMUOGKPV-UHFFFAOYSA-N 0 0 337.357 3.128 10 5 EGBERN CC(C)(C(=O)N1CCC(c2ccon2)CC1)c1ccccc1[N+](=O)[O-] ZINC000598398017 459889258 /nfs/dbraw/zinc/88/92/58/459889258.db2.gz AQVLBOIPWAEQDN-UHFFFAOYSA-N 0 0 343.383 3.267 10 5 EGBERN Cc1ccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587115784 459891559 /nfs/dbraw/zinc/89/15/59/459891559.db2.gz DINNXGXVRFWYQP-QGZVFWFLSA-N 0 0 327.384 3.319 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000597249606 459895241 /nfs/dbraw/zinc/89/52/41/459895241.db2.gz WCCSGOMPCUZYTJ-FZKQIMNGSA-N 0 0 330.384 3.205 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000593458896 459895622 /nfs/dbraw/zinc/89/56/22/459895622.db2.gz WAXMUWWSAFPXQZ-SNVBAGLBSA-N 0 0 340.305 3.192 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000593468708 459899052 /nfs/dbraw/zinc/89/90/52/459899052.db2.gz XDEJNJUOMVHTGG-UONOGXRCSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000593468710 459899098 /nfs/dbraw/zinc/89/90/98/459899098.db2.gz XDEJNJUOMVHTGG-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCOC[C@@H](C2CCC2)C1 ZINC000593472107 459900076 /nfs/dbraw/zinc/90/00/76/459900076.db2.gz GETOCTHJQFNLTI-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C2CCC2)CC1 ZINC000597278490 459902509 /nfs/dbraw/zinc/90/25/09/459902509.db2.gz OYHRVMNHXJTPKY-UHFFFAOYSA-N 0 0 341.415 3.407 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598456083 459902601 /nfs/dbraw/zinc/90/26/01/459902601.db2.gz HGCCKJNGPYIVHB-QXAKKESOSA-N 0 0 340.354 3.121 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000593483461 459902588 /nfs/dbraw/zinc/90/25/88/459902588.db2.gz WYJRNYPDMSKHDD-YJBOKZPZSA-N 0 0 327.384 3.352 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCOC1(C)C ZINC000598452963 459902686 /nfs/dbraw/zinc/90/26/86/459902686.db2.gz BWQYQCFMISZQPM-HUUCEWRRSA-N 0 0 334.416 3.095 10 5 EGBERN Cc1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)ccc1[N+](=O)[O-] ZINC000598458008 459903026 /nfs/dbraw/zinc/90/30/26/459903026.db2.gz OQTQDKYPSSOIFC-USXIJHARSA-N 0 0 326.327 3.110 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598459998 459903046 /nfs/dbraw/zinc/90/30/46/459903046.db2.gz UTWXLJRFOZCBPB-CGTJXYLNSA-N 0 0 340.354 3.419 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598464828 459903716 /nfs/dbraw/zinc/90/37/16/459903716.db2.gz IUKUUOAVYDIHLK-UHFFFAOYSA-N 0 0 325.315 3.487 10 5 EGBERN CC(C)c1cccc2c1CCN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C2 ZINC000588030428 459904482 /nfs/dbraw/zinc/90/44/82/459904482.db2.gz DTCQIBIPLKHQQQ-UHFFFAOYSA-N 0 0 341.411 3.355 10 5 EGBERN COc1c2ccccc2oc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588030080 459904511 /nfs/dbraw/zinc/90/45/11/459904511.db2.gz JUVKCBVIRUKMFK-UHFFFAOYSA-N 0 0 343.339 3.036 10 5 EGBERN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000598468286 459904920 /nfs/dbraw/zinc/90/49/20/459904920.db2.gz GBRQOGXRGQFNQW-LSDHHAIUSA-N 0 0 341.367 3.439 10 5 EGBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000598471944 459907419 /nfs/dbraw/zinc/90/74/19/459907419.db2.gz CXJBYIDWAYEMJR-HNNXBMFYSA-N 0 0 325.368 3.293 10 5 EGBERN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCc1ccccc1[N+](=O)[O-] ZINC000597302630 459909052 /nfs/dbraw/zinc/90/90/52/459909052.db2.gz BPLPHEYWCQOIBT-GDBMZVCRSA-N 0 0 338.354 3.469 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(CNc5ccccc54)C3)c21 ZINC000618166229 459914515 /nfs/dbraw/zinc/91/45/15/459914515.db2.gz FNDNOSJTHIYYEL-LJQANCHMSA-N 0 0 347.378 3.112 10 5 EGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1csc(C3CC3)n1)CCCC2 ZINC000575058583 459918560 /nfs/dbraw/zinc/91/85/60/459918560.db2.gz JKVRCYHRWKCGMU-UHFFFAOYSA-N 0 0 331.397 3.018 10 5 EGBERN Cc1c(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000598505392 459923373 /nfs/dbraw/zinc/92/33/73/459923373.db2.gz BNSCGWISFGVLOX-GXSJLCMTSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2ccccc2[C@H]1C ZINC000598576102 459945663 /nfs/dbraw/zinc/94/56/63/459945663.db2.gz YZOKXPOZJAQVIS-CYBMUJFWSA-N 0 0 326.352 3.499 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593687501 459950390 /nfs/dbraw/zinc/95/03/90/459950390.db2.gz JTXMAXCFVWFVFB-HNDXJFMUSA-N 0 0 348.449 3.029 10 5 EGBERN COC(=O)c1ccnc(N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000598599046 459959063 /nfs/dbraw/zinc/95/90/63/459959063.db2.gz XKORTKHIHOLVJO-KRWDZBQOSA-N 0 0 331.372 3.103 10 5 EGBERN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000597480513 459969594 /nfs/dbraw/zinc/96/95/94/459969594.db2.gz PKOWNVVHLOCEDL-IAQYHMDHSA-N 0 0 340.807 3.112 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598655635 459980789 /nfs/dbraw/zinc/98/07/89/459980789.db2.gz XOMUFOLMSHXQBT-CHWSQXEVSA-N 0 0 349.431 3.375 10 5 EGBERN CC(C)(NC(=O)NCC[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598663392 459984215 /nfs/dbraw/zinc/98/42/15/459984215.db2.gz YBFXWMYMVSPCJA-JTQLQIEISA-N 0 0 327.331 3.174 10 5 EGBERN Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cs1 ZINC000588834173 459987529 /nfs/dbraw/zinc/98/75/29/459987529.db2.gz NNZRMJYQJGUQMH-UHFFFAOYSA-N 0 0 334.353 3.378 10 5 EGBERN CN(Cc1ccsc1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588829741 459987599 /nfs/dbraw/zinc/98/75/99/459987599.db2.gz RRIFDPNGIQFPAC-UHFFFAOYSA-N 0 0 326.324 3.136 10 5 EGBERN CC(C)(C)OC(=O)CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000593807802 459992029 /nfs/dbraw/zinc/99/20/29/459992029.db2.gz UQHVZBLBCNNHMG-UHFFFAOYSA-N 0 0 340.401 3.041 10 5 EGBERN CC(C)c1ccc(C(=O)N2NC(=O)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000588855751 459993564 /nfs/dbraw/zinc/99/35/64/459993564.db2.gz HNNRJUVZGZSBRM-UHFFFAOYSA-N 0 0 345.399 3.298 10 5 EGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609624135 459997216 /nfs/dbraw/zinc/99/72/16/459997216.db2.gz JDILKCJQMCOCFI-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C2CC2)C1 ZINC000588903672 460000820 /nfs/dbraw/zinc/00/08/20/460000820.db2.gz GJSASVQKUGFOEI-CQSZACIVSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1n[nH]c(C(=O)N(C)Cc2oc3c(cccc3C)c2C)c1[N+](=O)[O-] ZINC000593851248 460002912 /nfs/dbraw/zinc/00/29/12/460002912.db2.gz XQOAJBLHXSGIBX-UHFFFAOYSA-N 0 0 342.355 3.262 10 5 EGBERN CCS(=O)(=O)N(C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1C ZINC000598729356 460008954 /nfs/dbraw/zinc/00/89/54/460008954.db2.gz PPCMVXOQJODXFZ-BTTYYORXSA-N 0 0 338.429 3.105 10 5 EGBERN COc1ccc(CN(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000618468337 460019702 /nfs/dbraw/zinc/01/97/02/460019702.db2.gz XBPDQMRGBVWFCF-UHFFFAOYSA-N 0 0 349.774 3.232 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(CC2CC2)C1 ZINC000598781369 460031975 /nfs/dbraw/zinc/03/19/75/460031975.db2.gz MZBLLNVYCRPHSN-SNVBAGLBSA-N 0 0 338.791 3.274 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N(C)Cc1nc2ccccc2n1C ZINC000589114257 460032684 /nfs/dbraw/zinc/03/26/84/460032684.db2.gz UULZPTJEGILHQW-UHFFFAOYSA-N 0 0 326.356 3.127 10 5 EGBERN COC(=O)c1cc(C)nc(NC2(C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000575942255 460037805 /nfs/dbraw/zinc/03/78/05/460037805.db2.gz GUOCPSPXCXCNSY-UHFFFAOYSA-N 0 0 341.367 3.054 10 5 EGBERN CCn1ncc(Cl)c1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000598806153 460043197 /nfs/dbraw/zinc/04/31/97/460043197.db2.gz QTSMNGHANHBIOZ-SECBINFHSA-N 0 0 334.763 3.056 10 5 EGBERN C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000589219462 460058897 /nfs/dbraw/zinc/05/88/97/460058897.db2.gz LBPDDBMBLVPKSN-IUODEOHRSA-N 0 0 329.404 3.405 10 5 EGBERN CCCc1nccnc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000598878474 460080897 /nfs/dbraw/zinc/08/08/97/460080897.db2.gz SCWILLITUDYSFV-UHFFFAOYSA-N 0 0 332.385 3.312 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1ccccn1 ZINC000597862640 460084058 /nfs/dbraw/zinc/08/40/58/460084058.db2.gz CSKLZMGENRHGLQ-GDBMZVCRSA-N 0 0 341.411 3.478 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594073932 460088690 /nfs/dbraw/zinc/08/86/90/460088690.db2.gz UWBZEFFXAVUADE-SJORKVTESA-N 0 0 346.427 3.336 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc2c1CCCC2 ZINC000597872937 460090022 /nfs/dbraw/zinc/09/00/22/460090022.db2.gz DVIYUJNUUOCSKT-UHFFFAOYSA-N 0 0 327.340 3.130 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594075081 460089993 /nfs/dbraw/zinc/08/99/93/460089993.db2.gz YVVMSQFIXYFTGM-SJORKVTESA-N 0 0 348.399 3.071 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CC=CCC1 ZINC000598967739 460108748 /nfs/dbraw/zinc/10/87/48/460108748.db2.gz UBNWIWSZKMZPEY-ZDUSSCGKSA-N 0 0 333.388 3.149 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000598974737 460111641 /nfs/dbraw/zinc/11/16/41/460111641.db2.gz GSRQXKGMSGWZNM-LSDHHAIUSA-N 0 0 331.397 3.054 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597923397 460114207 /nfs/dbraw/zinc/11/42/07/460114207.db2.gz BCWPYFPYFFVSKW-MRXNPFEDSA-N 0 0 338.791 3.198 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594137361 460121639 /nfs/dbraw/zinc/12/16/39/460121639.db2.gz LVBLAJRCKIJZJQ-JTQLQIEISA-N 0 0 328.796 3.429 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1F ZINC000589679217 460126457 /nfs/dbraw/zinc/12/64/57/460126457.db2.gz HQVPUMMLHPYNGH-ABAIWWIYSA-N 0 0 348.378 3.008 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(C2CCC2)CC1 ZINC000597994088 460139654 /nfs/dbraw/zinc/13/96/54/460139654.db2.gz FUWWLXRZYXDARK-UHFFFAOYSA-N 0 0 332.400 3.402 10 5 EGBERN C[C@]12COC[C@@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000618721457 460142115 /nfs/dbraw/zinc/14/21/15/460142115.db2.gz GYHSEWPORXUOFI-BTYIYWSLSA-N 0 0 332.403 3.497 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000599067394 460149133 /nfs/dbraw/zinc/14/91/33/460149133.db2.gz VVXFUQWWKSDAIN-JZXOWHBKSA-N 0 0 343.383 3.282 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598042768 460153013 /nfs/dbraw/zinc/15/30/13/460153013.db2.gz XXXIGVTVIYPNFP-OAHLLOKOSA-N 0 0 327.340 3.340 10 5 EGBERN C[C@@H](C(=O)N1CC2(CCC2)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598055395 460156255 /nfs/dbraw/zinc/15/62/55/460156255.db2.gz SHSHDXJUXUWZAS-NWDGAFQWSA-N 0 0 336.363 3.007 10 5 EGBERN CC(C)[C@]1(CO)CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086327 460156629 /nfs/dbraw/zinc/15/66/29/460156629.db2.gz JRJSYWQTHZBGIK-GOSISDBHSA-N 0 0 329.400 3.378 10 5 EGBERN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)OC)c1 ZINC000599115463 460164208 /nfs/dbraw/zinc/16/42/08/460164208.db2.gz MWICWSMSPXKAPU-CQSZACIVSA-N 0 0 337.763 3.451 10 5 EGBERN COc1cccc([C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])OC)c1 ZINC000599115428 460164211 /nfs/dbraw/zinc/16/42/11/460164211.db2.gz LZGVQVPWEGSSIB-OAHLLOKOSA-N 0 0 331.372 3.415 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594237136 460164314 /nfs/dbraw/zinc/16/43/14/460164314.db2.gz ABSSNDFHFXHDJA-CHWSQXEVSA-N 0 0 337.420 3.406 10 5 EGBERN Nc1cc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc(CO)c1[N+](=O)[O-] ZINC000599122575 460166842 /nfs/dbraw/zinc/16/68/42/460166842.db2.gz CRZKFYSQOJSSJY-VNQPRFMTSA-N 0 0 345.786 3.073 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CC(=O)OC)cc1 ZINC000599125270 460168078 /nfs/dbraw/zinc/16/80/78/460168078.db2.gz BLKWWSMURCWAMZ-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599138725 460172767 /nfs/dbraw/zinc/17/27/67/460172767.db2.gz JMXUNLIDKCEZKZ-UHFFFAOYSA-N 0 0 348.321 3.103 10 5 EGBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3C)no1)CC2 ZINC000599166284 460183354 /nfs/dbraw/zinc/18/33/54/460183354.db2.gz YQKFDUPEDHKMCU-LBPRGKRZSA-N 0 0 339.355 3.188 10 5 EGBERN CC(C)(CNc1nccc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599170736 460185787 /nfs/dbraw/zinc/18/57/87/460185787.db2.gz PKDVGGYTSZPSGI-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c2cccnc12)C(=O)N1CCCC1 ZINC000599169854 460186084 /nfs/dbraw/zinc/18/60/84/460186084.db2.gz GNCAAKGHLWRMJM-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599195485 460196558 /nfs/dbraw/zinc/19/65/58/460196558.db2.gz RFWHBVCHMIQJIX-CYBMUJFWSA-N 0 0 348.378 3.261 10 5 EGBERN COc1ccc([C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cn1 ZINC000599206537 460199384 /nfs/dbraw/zinc/19/93/84/460199384.db2.gz POSZYSMTLLZRKE-MRXNPFEDSA-N 0 0 339.355 3.438 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594401081 460205516 /nfs/dbraw/zinc/20/55/16/460205516.db2.gz LITRPNANKSUJAJ-LLVKDONJSA-N 0 0 333.388 3.257 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000598213181 460206298 /nfs/dbraw/zinc/20/62/98/460206298.db2.gz AROVBAUYMBDXMA-LLVKDONJSA-N 0 0 349.131 3.132 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598216444 460207743 /nfs/dbraw/zinc/20/77/43/460207743.db2.gz ZWEUDDOYJQQZGJ-PWSUYJOCSA-N 0 0 326.780 3.244 10 5 EGBERN C[C@]1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1(F)F ZINC000598217898 460208339 /nfs/dbraw/zinc/20/83/39/460208339.db2.gz YGZYXMFXLOZENM-MRXNPFEDSA-N 0 0 347.321 3.432 10 5 EGBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCC(F)(F)CC1 ZINC000594408084 460209123 /nfs/dbraw/zinc/20/91/23/460209123.db2.gz BAMFAPBRWUKIJZ-MRVPVSSYSA-N 0 0 345.321 3.260 10 5 EGBERN Cc1ccc(CC2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000598234354 460217054 /nfs/dbraw/zinc/21/70/54/460217054.db2.gz IADJTCNZVKNYQB-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000610709441 460221591 /nfs/dbraw/zinc/22/15/91/460221591.db2.gz NOPMKJXCKYGUDH-SNVBAGLBSA-N 0 0 338.772 3.482 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610768806 460234453 /nfs/dbraw/zinc/23/44/53/460234453.db2.gz XNHMZXJIZNGNDD-SECBINFHSA-N 0 0 339.273 3.500 10 5 EGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1 ZINC000610960770 460266799 /nfs/dbraw/zinc/26/67/99/460266799.db2.gz LGZYEDHIFNUVSQ-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN CCOC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000610980526 460270269 /nfs/dbraw/zinc/27/02/69/460270269.db2.gz FMPCYFFRKNEBOS-UHFFFAOYSA-N 0 0 348.399 3.099 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1C1CC1 ZINC000611111334 460289412 /nfs/dbraw/zinc/28/94/12/460289412.db2.gz CJZXRDRNLVGEID-UHFFFAOYSA-N 0 0 337.339 3.235 10 5 EGBERN CO[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000615206916 460293469 /nfs/dbraw/zinc/29/34/69/460293469.db2.gz WOGIHXCPWDFRGV-GFCCVEGCSA-N 0 0 326.780 3.198 10 5 EGBERN COC(=O)[C@](C)(NCc1ccc(F)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000599648738 460297363 /nfs/dbraw/zinc/29/73/63/460297363.db2.gz DRRYUMVNGZXUIR-GOSISDBHSA-N 0 0 346.358 3.220 10 5 EGBERN Cn1ncc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C(F)F ZINC000611159869 460298101 /nfs/dbraw/zinc/29/81/01/460298101.db2.gz YTSIWYYLLYEHBH-UHFFFAOYSA-N 0 0 336.254 3.264 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)CO ZINC000619254585 460314914 /nfs/dbraw/zinc/31/49/14/460314914.db2.gz NEJDPJOMBKGLCF-KRWDZBQOSA-N 0 0 342.395 3.393 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611255033 460318206 /nfs/dbraw/zinc/31/82/06/460318206.db2.gz MQAATCKMGPKOPJ-UHFFFAOYSA-N 0 0 326.356 3.401 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599780706 460332458 /nfs/dbraw/zinc/33/24/58/460332458.db2.gz SGOBDPQVBKYIIV-WCQYABFASA-N 0 0 333.369 3.343 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000599787867 460334189 /nfs/dbraw/zinc/33/41/89/460334189.db2.gz WMQHALBIIWCHJB-IUIKQTSFSA-N 0 0 347.415 3.269 10 5 EGBERN CC[C@@H](NC(=O)NC1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611314971 460335755 /nfs/dbraw/zinc/33/57/55/460335755.db2.gz FPAVXMOFDGSTPC-BFHRDPOASA-N 0 0 349.431 3.429 10 5 EGBERN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H](C)O1 ZINC000599830585 460342876 /nfs/dbraw/zinc/34/28/76/460342876.db2.gz USPORDBVSTUCQB-NEPJUHHUSA-N 0 0 344.371 3.174 10 5 EGBERN CC[C@@H](C[C@H](C)CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829304 460343150 /nfs/dbraw/zinc/34/31/50/460343150.db2.gz BRXRCIAAHWYVID-RYUDHWBXSA-N 0 0 346.387 3.062 10 5 EGBERN CN(C[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830592 460343335 /nfs/dbraw/zinc/34/33/35/460343335.db2.gz UUHCNRCRVOVWLI-LBPRGKRZSA-N 0 0 344.371 3.033 10 5 EGBERN CC(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830924 460343988 /nfs/dbraw/zinc/34/39/88/460343988.db2.gz ZOKRCIFUFWODGE-UHFFFAOYSA-N 0 0 346.387 3.327 10 5 EGBERN C[C@@H]1C[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)O1 ZINC000599841383 460347008 /nfs/dbraw/zinc/34/70/08/460347008.db2.gz YTEJBOJZZNDDHN-GRYCIOLGSA-N 0 0 344.371 3.078 10 5 EGBERN Cc1nnc(CSCCOc2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000611372615 460347499 /nfs/dbraw/zinc/34/74/99/460347499.db2.gz CJBGWXXJLKDUII-UHFFFAOYSA-N 0 0 334.401 3.142 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000611377819 460348138 /nfs/dbraw/zinc/34/81/38/460348138.db2.gz ZLFNGBHWCKXDGU-SNVBAGLBSA-N 0 0 346.314 3.012 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C)(F)C3)cc2[N+](=O)[O-])C1 ZINC000619419406 460350709 /nfs/dbraw/zinc/35/07/09/460350709.db2.gz MKAYNJHJGBKSKA-CHWSQXEVSA-N 0 0 349.406 3.261 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431653 460354327 /nfs/dbraw/zinc/35/43/27/460354327.db2.gz VHWGFKIKNKQGDD-GXSJLCMTSA-N 0 0 346.305 3.139 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431656 460354651 /nfs/dbraw/zinc/35/46/51/460354651.db2.gz VHWGFKIKNKQGDD-ONGXEEELSA-N 0 0 346.305 3.139 10 5 EGBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1F ZINC000611494460 460376534 /nfs/dbraw/zinc/37/65/34/460376534.db2.gz RFJRIXSIPIWGKW-DOMZBBRYSA-N 0 0 335.379 3.015 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611505652 460380305 /nfs/dbraw/zinc/38/03/05/460380305.db2.gz LANOQKYKOJGBMK-KCJUWKMLSA-N 0 0 345.168 3.177 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000611505575 460380624 /nfs/dbraw/zinc/38/06/24/460380624.db2.gz DAVWAMAFIRJPJU-UHIISALHSA-N 0 0 326.393 3.282 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611513708 460384377 /nfs/dbraw/zinc/38/43/77/460384377.db2.gz GIPMGRQQSFCNOG-MFKMUULPSA-N 0 0 343.786 3.180 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(Cc2ccccc2)C1 ZINC000611520062 460386514 /nfs/dbraw/zinc/38/65/14/460386514.db2.gz JYKZLLSUEQQPOX-UHFFFAOYSA-N 0 0 335.363 3.391 10 5 EGBERN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1O ZINC000611524967 460387371 /nfs/dbraw/zinc/38/73/71/460387371.db2.gz XSPCZSVFKYSTGI-CJNGLKHVSA-N 0 0 329.400 3.376 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1O ZINC000611524958 460387697 /nfs/dbraw/zinc/38/76/97/460387697.db2.gz COYXFJZAOPHCJZ-XJKSGUPXSA-N 0 0 329.400 3.376 10 5 EGBERN CC(C)c1ccc(C(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000611540346 460392135 /nfs/dbraw/zinc/39/21/35/460392135.db2.gz IVNMRJAMFAVITH-UHFFFAOYSA-N 0 0 330.388 3.117 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCO1 ZINC000611553676 460397532 /nfs/dbraw/zinc/39/75/32/460397532.db2.gz WHISSVLNDMDRIY-CYBMUJFWSA-N 0 0 338.429 3.396 10 5 EGBERN CCOC(=O)CC[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617320 460415318 /nfs/dbraw/zinc/41/53/18/460415318.db2.gz FQPAITGPSVYMCO-CQSZACIVSA-N 0 0 335.404 3.166 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCCOC1 ZINC000600163607 460415559 /nfs/dbraw/zinc/41/55/59/460415559.db2.gz ANZTYIUWRQGXPO-CVEARBPZSA-N 0 0 334.416 3.096 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(NCCc3cccc4[nH]ccc43)c2c1 ZINC000619704841 460419995 /nfs/dbraw/zinc/41/99/95/460419995.db2.gz DHKWJBVTVNLJOU-UHFFFAOYSA-N 0 0 333.351 3.096 10 5 EGBERN Cc1ccsc1[C@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709132 460435303 /nfs/dbraw/zinc/43/53/03/460435303.db2.gz QIMHOSKMAZFLAL-ZDUSSCGKSA-N 0 0 330.369 3.053 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN1CC(Cc3cccs3)C1)OCCO2 ZINC000600216076 460446756 /nfs/dbraw/zinc/44/67/56/460446756.db2.gz RZRXOYHCWSOLFM-UHFFFAOYSA-N 0 0 346.408 3.102 10 5 EGBERN COc1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000616017480 460452061 /nfs/dbraw/zinc/45/20/61/460452061.db2.gz OSUQTOYFTXQYAJ-UHFFFAOYSA-N 0 0 336.373 3.005 10 5 EGBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000600303273 460468196 /nfs/dbraw/zinc/46/81/96/460468196.db2.gz WWDURTPZLSSUGS-GOSISDBHSA-N 0 0 340.383 3.059 10 5 EGBERN CC(C)c1cc(Cl)ccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000600369502 460485409 /nfs/dbraw/zinc/48/54/09/460485409.db2.gz QEFZCVUSDIBLMN-UHFFFAOYSA-N 0 0 349.774 3.172 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600368862 460485680 /nfs/dbraw/zinc/48/56/80/460485680.db2.gz ZDQPAQMPDXZNFU-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN COc1cc(C(=O)NCC[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000600395242 460488763 /nfs/dbraw/zinc/48/87/63/460488763.db2.gz QAYMNBVHCMBWSB-LBPRGKRZSA-N 0 0 334.372 3.088 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000600422846 460493395 /nfs/dbraw/zinc/49/33/95/460493395.db2.gz ONQDWLMUXJZYHH-OAHLLOKOSA-N 0 0 348.399 3.003 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000600479252 460503488 /nfs/dbraw/zinc/50/34/88/460503488.db2.gz VKPXTFWVZBSKKR-VNQPRFMTSA-N 0 0 343.770 3.020 10 5 EGBERN C[C@H](C(=O)NCC(=O)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600485965 460503889 /nfs/dbraw/zinc/50/38/89/460503889.db2.gz FVLZJTUCZHCXMJ-NSHDSACASA-N 0 0 336.363 3.103 10 5 EGBERN O=C(COc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600510843 460508565 /nfs/dbraw/zinc/50/85/65/460508565.db2.gz NXNFFQQIEIEAMZ-UWVGGRQHSA-N 0 0 332.278 3.306 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000600522462 460512160 /nfs/dbraw/zinc/51/21/60/460512160.db2.gz PRPGNTMJVKXTJR-FZMZJTMJSA-N 0 0 336.413 3.004 10 5 EGBERN COC(=O)[C@@](C)(NC(=O)CC1(C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600539028 460515823 /nfs/dbraw/zinc/51/58/23/460515823.db2.gz WPZIROIZEUIAJP-SFHVURJKSA-N 0 0 348.399 3.070 10 5 EGBERN CC1(C)C[C@@H](S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CO1 ZINC000600570638 460528044 /nfs/dbraw/zinc/52/80/44/460528044.db2.gz QHCSVMOGAHPZEQ-KGLIPLIRSA-N 0 0 336.413 3.001 10 5 EGBERN O=C(CSC[C@@H]1C[C@H]2C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600582256 460533592 /nfs/dbraw/zinc/53/35/92/460533592.db2.gz WYTOOGGRWVMVSG-UBSAEIQESA-N 0 0 332.425 3.263 10 5 EGBERN O=[N+]([O-])c1ccsc1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000616400478 460547350 /nfs/dbraw/zinc/54/73/50/460547350.db2.gz JLOSGWUIPRPLLH-SNVBAGLBSA-N 0 0 328.340 3.198 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC(F)(F)C1 ZINC000601160270 460735945 /nfs/dbraw/zinc/73/59/45/460735945.db2.gz VRTIQIMWZWWHOD-LURJTMIESA-N 0 0 328.241 3.194 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601157911 460736133 /nfs/dbraw/zinc/73/61/33/460736133.db2.gz IQRFNJMUGJRFHL-WDSKDSINSA-N 0 0 346.231 3.124 10 5 EGBERN O=C(NCc1cccc(O)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601168942 460738813 /nfs/dbraw/zinc/73/88/13/460738813.db2.gz GHJQARJHTCTYLG-UHFFFAOYSA-N 0 0 326.352 3.039 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(C)(C)c1cccnc1 ZINC000601175014 460741020 /nfs/dbraw/zinc/74/10/20/460741020.db2.gz AIOMOXWNHWURDZ-UHFFFAOYSA-N 0 0 343.309 3.132 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC2(CCCC2)O1 ZINC000601188810 460744612 /nfs/dbraw/zinc/74/46/12/460744612.db2.gz BDGLEVLYVHKBQG-VIFPVBQESA-N 0 0 348.325 3.251 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000601187687 460745371 /nfs/dbraw/zinc/74/53/71/460745371.db2.gz VOCMKPZBXGSQCI-NXEZZACHSA-N 0 0 348.325 3.107 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000601205442 460750004 /nfs/dbraw/zinc/75/00/04/460750004.db2.gz ABIDLFVFELKYPQ-OCCSQVGLSA-N 0 0 339.273 3.349 10 5 EGBERN Cc1cc(Br)c2c(c1)CCN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000601207233 460751277 /nfs/dbraw/zinc/75/12/77/460751277.db2.gz CBZNAGHQXVQLRH-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN O=[N+]([O-])c1c(N2CCC[C@@H](c3cccnc3)C2)nc2sccn21 ZINC000601217565 460754289 /nfs/dbraw/zinc/75/42/89/460754289.db2.gz UECKZEKJDWNGEG-GFCCVEGCSA-N 0 0 329.385 3.083 10 5 EGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC(CCF)CC1 ZINC000601217923 460754896 /nfs/dbraw/zinc/75/48/96/460754896.db2.gz PIFNVWAPZSIZJV-UHFFFAOYSA-N 0 0 332.173 3.328 10 5 EGBERN C[C@H](CC1CCC1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000601245174 460763443 /nfs/dbraw/zinc/76/34/43/460763443.db2.gz DITKGUNTSNSCET-CYBMUJFWSA-N 0 0 347.415 3.058 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2ccc3c(c2)CCO3)no1 ZINC000612912321 460769186 /nfs/dbraw/zinc/76/91/86/460769186.db2.gz YFXKXQCQTPBBQY-UHFFFAOYSA-N 0 0 337.335 3.479 10 5 EGBERN COc1cccc([C@H](C)c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000612918203 460771650 /nfs/dbraw/zinc/77/16/50/460771650.db2.gz WZGODRRFRJMNBN-JTQLQIEISA-N 0 0 326.312 3.200 10 5 EGBERN COCCCCc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601361302 460794967 /nfs/dbraw/zinc/79/49/67/460794967.db2.gz HBQDKIDFZACHPC-UHFFFAOYSA-N 0 0 331.372 3.417 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3cc(C)ccc32)c([N+](=O)[O-])s1 ZINC000601384398 460800783 /nfs/dbraw/zinc/80/07/83/460800783.db2.gz ARWIRSYMAIEERF-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN COCC1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601405808 460805894 /nfs/dbraw/zinc/80/58/94/460805894.db2.gz BQRMEDOBCDQOFG-UHFFFAOYSA-N 0 0 346.427 3.292 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601546916 460829206 /nfs/dbraw/zinc/82/92/06/460829206.db2.gz BHBSLRDHGPICBV-SJORKVTESA-N 0 0 337.379 3.084 10 5 EGBERN Nc1ccc2c(c1)CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601554662 460831383 /nfs/dbraw/zinc/83/13/83/460831383.db2.gz HZMVDTPTXUFOKH-UHFFFAOYSA-N 0 0 337.379 3.141 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601594995 460842478 /nfs/dbraw/zinc/84/24/78/460842478.db2.gz DQINKGOZJIMRQZ-IRXDYDNUSA-N 0 0 347.415 3.050 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2nccn21 ZINC000601616652 460847536 /nfs/dbraw/zinc/84/75/36/460847536.db2.gz FNTFTLYWWOMOJT-IUODEOHRSA-N 0 0 340.383 3.035 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601659124 460859672 /nfs/dbraw/zinc/85/96/72/460859672.db2.gz MJAWTEYXGITIJA-QGZVFWFLSA-N 0 0 339.395 3.329 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC)c2ccc(F)cc2)n1 ZINC000601701611 460875521 /nfs/dbraw/zinc/87/55/21/460875521.db2.gz VXDODPMHYKHKOQ-INIZCTEOSA-N 0 0 334.351 3.006 10 5 EGBERN O=C(N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000601701981 460876379 /nfs/dbraw/zinc/87/63/79/460876379.db2.gz ARQFFLBNNNRBCP-GFCCVEGCSA-N 0 0 339.189 3.420 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC12CC2 ZINC000601705620 460877641 /nfs/dbraw/zinc/87/76/41/460877641.db2.gz QCPXBTSBSWOIIF-QMTHXVAHSA-N 0 0 338.791 3.464 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCC12CC2 ZINC000601706833 460878934 /nfs/dbraw/zinc/87/89/34/460878934.db2.gz WIWOTUXZROUTMN-AWEZNQCLSA-N 0 0 338.791 3.466 10 5 EGBERN C[C@@H](C1CC1)N(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000601715498 460881506 /nfs/dbraw/zinc/88/15/06/460881506.db2.gz SWNPRRLSDMNACK-NSHDSACASA-N 0 0 327.340 3.141 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]12C[C@H]1CCCC2 ZINC000601768363 460893088 /nfs/dbraw/zinc/89/30/88/460893088.db2.gz AYKOZUFWDAKSHC-LYOVBCGYSA-N 0 0 338.791 3.464 10 5 EGBERN C[C@](CO)(NC(=O)c1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601781348 460896067 /nfs/dbraw/zinc/89/60/67/460896067.db2.gz VJYBIIWGOFWRBV-LJQANCHMSA-N 0 0 340.379 3.110 10 5 EGBERN COc1c(C(=O)NCC2([C@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000601856218 460927403 /nfs/dbraw/zinc/92/74/03/460927403.db2.gz ZSNDBFPMOVGDAK-OAHLLOKOSA-N 0 0 348.399 3.073 10 5 EGBERN C[C@H](CC1CCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000601872728 460931681 /nfs/dbraw/zinc/93/16/81/460931681.db2.gz ZPXUSEQNEWAZLL-GFCCVEGCSA-N 0 0 343.383 3.217 10 5 EGBERN COCC[C@H]1CCCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613433889 460946788 /nfs/dbraw/zinc/94/67/88/460946788.db2.gz TUHOQNBXRABOLT-CYBMUJFWSA-N 0 0 330.388 3.181 10 5 EGBERN C[C@@H](C(=O)NCC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617748827 460964654 /nfs/dbraw/zinc/96/46/54/460964654.db2.gz ISUMIZWGWPCPHE-CZUORRHYSA-N 0 0 334.416 3.410 10 5 EGBERN CNc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000618024703 461065543 /nfs/dbraw/zinc/06/55/43/461065543.db2.gz VTBGUMWPFVUARA-VIFPVBQESA-N 0 0 331.294 3.051 10 5 EGBERN CCOCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600791040 468659148 /nfs/dbraw/zinc/65/91/48/468659148.db2.gz DEVYSESZYLRCOD-UHFFFAOYSA-N 0 0 345.399 3.030 10 5 EGBERN CC(C)OC(=O)c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000000258327 519752508 /nfs/dbraw/zinc/75/25/08/519752508.db2.gz BYJRYXNISLQLCN-GFCCVEGCSA-N 0 0 325.386 3.431 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000175175425 528611717 /nfs/dbraw/zinc/61/17/17/528611717.db2.gz UHJUZIRQLCWUJY-MRXNPFEDSA-N 0 0 330.388 3.064 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191336098 528748736 /nfs/dbraw/zinc/74/87/36/528748736.db2.gz MUODHWFLRCEEFV-GFCCVEGCSA-N 0 0 337.376 3.065 10 5 EGBERN COc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000356243646 537149357 /nfs/dbraw/zinc/14/93/57/537149357.db2.gz YZHNAWDQJVETCZ-UHFFFAOYSA-N 0 0 332.703 3.369 10 5 EGBERN CCOc1ccc(C(=O)OCc2cc(Cl)ccn2)cc1[N+](=O)[O-] ZINC000726861756 574574595 /nfs/dbraw/zinc/57/45/95/574574595.db2.gz QTKDFGAITTUHDG-UHFFFAOYSA-N 0 0 336.731 3.399 10 5 EGBERN COC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000727088585 574647328 /nfs/dbraw/zinc/64/73/28/574647328.db2.gz JAJXRAHDRLBJHY-OAHLLOKOSA-N 0 0 331.397 3.269 10 5 EGBERN O=C(N[C@@H]1CCc2c1cccc2F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000727710447 574686857 /nfs/dbraw/zinc/68/68/57/574686857.db2.gz MPTWIGRMXCWEKU-CQSZACIVSA-N 0 0 336.269 3.429 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NC1CCC(C)CC1 ZINC000728201204 574729144 /nfs/dbraw/zinc/72/91/44/574729144.db2.gz GOKZXFBRNPGMMR-JVWICGRDSA-N 0 0 331.416 3.041 10 5 EGBERN Cc1sc(C(=O)OCc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000728619983 574762876 /nfs/dbraw/zinc/76/28/76/574762876.db2.gz WIOPPQQRAUAABT-UHFFFAOYSA-N 0 0 349.290 3.081 10 5 EGBERN CCC/C(C)=C/C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000729194165 574822496 /nfs/dbraw/zinc/82/24/96/574822496.db2.gz VGOMPIHNBYACMU-WYMLVPIESA-N 0 0 347.415 3.496 10 5 EGBERN C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000761164537 574987812 /nfs/dbraw/zinc/98/78/12/574987812.db2.gz FBLXAQKJALRKRH-ZETCQYMHSA-N 0 0 342.562 3.276 10 5 EGBERN CCc1nc(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cs1 ZINC000730805222 575022400 /nfs/dbraw/zinc/02/24/00/575022400.db2.gz DYGVJQZYTHXBIF-ALCCZGGFSA-N 0 0 347.396 3.412 10 5 EGBERN Cc1nn(C)c(Cl)c1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000731719972 575201786 /nfs/dbraw/zinc/20/17/86/575201786.db2.gz TWEKXQAMWHHBEY-UHFFFAOYSA-N 0 0 348.746 3.128 10 5 EGBERN CC(C)(C)/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000732403253 575267157 /nfs/dbraw/zinc/26/71/57/575267157.db2.gz UXIIMWONTPZDLD-VOTSOKGWSA-N 0 0 340.763 3.332 10 5 EGBERN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000756197975 576053314 /nfs/dbraw/zinc/05/33/14/576053314.db2.gz YKKYLKLTKBRAFH-NSHDSACASA-N 0 0 346.836 3.223 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2ccn(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000737413640 576224001 /nfs/dbraw/zinc/22/40/01/576224001.db2.gz JRMIYHQCMNTCGF-ALCCZGGFSA-N 0 0 344.371 3.171 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000741746365 576715950 /nfs/dbraw/zinc/71/59/50/576715950.db2.gz GBIOCJAMUCMKJO-UHFFFAOYSA-N 0 0 348.330 3.150 10 5 EGBERN C/C(=C\C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000742007816 576741419 /nfs/dbraw/zinc/74/14/19/576741419.db2.gz RFEZHDNIICGUGR-ACCUITESSA-N 0 0 328.343 3.496 10 5 EGBERN Cc1cccc(F)c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000742730145 576794429 /nfs/dbraw/zinc/79/44/29/576794429.db2.gz WUHJVXNAARGOGZ-UHFFFAOYSA-N 0 0 327.315 3.454 10 5 EGBERN COCCN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006558653 1291048629 /nfs/dbraw/zinc/04/86/29/1291048629.db2.gz SCNRQOAKDQROPN-ZHACJKMWSA-N 0 0 340.379 3.283 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc3ncccc3c2)c1 ZINC000152484332 1293970724 /nfs/dbraw/zinc/97/07/24/1293970724.db2.gz WFLGDAZQKHGFIX-UHFFFAOYSA-N 0 0 344.348 3.052 10 5 EGBERN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1CO ZINC000157055906 1294167807 /nfs/dbraw/zinc/16/78/07/1294167807.db2.gz COQFPWNUPYZPAR-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN CCOC1CC2(C[C@H]2C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000869934261 1295546237 /nfs/dbraw/zinc/54/62/37/1295546237.db2.gz TUVDDPPJYOYIHS-UYJPIKCFSA-N 0 0 339.775 3.497 10 5 EGBERN CCOc1cc(COC(=O)c2cc(C)cnc2F)ccc1[N+](=O)[O-] ZINC000870001200 1295586683 /nfs/dbraw/zinc/58/66/83/1295586683.db2.gz XCGQWNVKNMZCHW-UHFFFAOYSA-N 0 0 334.303 3.193 10 5 EGBERN O=C(N1CCC(CCF)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000870278259 1295783557 /nfs/dbraw/zinc/78/35/57/1295783557.db2.gz TUXOZJCHTLGFNP-UHFFFAOYSA-N 0 0 330.306 3.285 10 5 EGBERN Cc1cnc(F)c(C(=O)O[C@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])c1 ZINC000870454461 1295881983 /nfs/dbraw/zinc/88/19/83/1295881983.db2.gz LFNJXAVSMUBIDS-YGRLFVJLSA-N 0 0 336.294 3.232 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1Br ZINC000870488455 1295900762 /nfs/dbraw/zinc/90/07/62/1295900762.db2.gz QWOAMXMHTCGQOQ-NWDGAFQWSA-N 0 0 345.168 3.368 10 5 EGBERN CC(C)=C[C@H]1[C@H](C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000870826999 1296104329 /nfs/dbraw/zinc/10/43/29/1296104329.db2.gz RPXOCXAUUWTLTH-RIXNLZLZSA-N 0 0 333.388 3.276 10 5 EGBERN O=C(CCCc1cccs1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870826742 1296105185 /nfs/dbraw/zinc/10/51/85/1296105185.db2.gz MCNJHPVIQBUIQD-UHFFFAOYSA-N 0 0 335.385 3.122 10 5 EGBERN C/C(=C/C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870829194 1296105990 /nfs/dbraw/zinc/10/59/90/1296105990.db2.gz HTYGLODWPSMQOL-GHXNOFRVSA-N 0 0 327.340 3.142 10 5 EGBERN CCOc1cc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1C ZINC000870829664 1296107960 /nfs/dbraw/zinc/10/79/60/1296107960.db2.gz NSFMZFRFARMONW-UHFFFAOYSA-N 0 0 345.355 3.059 10 5 EGBERN C/C(=C/C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000870830383 1296108172 /nfs/dbraw/zinc/10/81/72/1296108172.db2.gz AJYIQACJQKTDCH-YHYXMXQVSA-N 0 0 333.369 3.203 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2CCCS2)c1 ZINC000871027540 1296183530 /nfs/dbraw/zinc/18/35/30/1296183530.db2.gz RBCUWNBAVSWYJV-ZDUSSCGKSA-N 0 0 338.429 3.074 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OC(C)(C)C=C3)n1 ZINC000871114514 1296227713 /nfs/dbraw/zinc/22/77/13/1296227713.db2.gz CYCYRBWOCOVJSH-UHFFFAOYSA-N 0 0 342.355 3.248 10 5 EGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000871123271 1296235210 /nfs/dbraw/zinc/23/52/10/1296235210.db2.gz OXXAPJAAIBSYJZ-ZIAGYGMSSA-N 0 0 338.791 3.326 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000871193273 1296264727 /nfs/dbraw/zinc/26/47/27/1296264727.db2.gz LWIMZFIDATZIQS-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000871275084 1296309692 /nfs/dbraw/zinc/30/96/92/1296309692.db2.gz GKGAOSPOCUKPMC-OAHLLOKOSA-N 0 0 344.367 3.493 10 5 EGBERN CCc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000871296859 1296326115 /nfs/dbraw/zinc/32/61/15/1296326115.db2.gz DYKBCZDZZFNJNW-NVXWUHKLSA-N 0 0 332.400 3.092 10 5 EGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000871296418 1296326207 /nfs/dbraw/zinc/32/62/07/1296326207.db2.gz SNSHXDAWRNMEOV-SJCJKPOMSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000871338466 1296360601 /nfs/dbraw/zinc/36/06/01/1296360601.db2.gz KDBGJOUDLOYYJV-MRXNPFEDSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(CSC2)C1 ZINC000871514024 1296422098 /nfs/dbraw/zinc/42/20/98/1296422098.db2.gz HIKHICANRHAMBT-SNVBAGLBSA-N 0 0 338.454 3.087 10 5 EGBERN CCOc1cc(OCc2nccn2CC(F)F)ccc1[N+](=O)[O-] ZINC000871668872 1296473488 /nfs/dbraw/zinc/47/34/88/1296473488.db2.gz ACAGXOQLHAWJCI-UHFFFAOYSA-N 0 0 327.287 3.034 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(F)c1F ZINC000871677455 1296476157 /nfs/dbraw/zinc/47/61/57/1296476157.db2.gz LBZJWHYHAUQLQD-CSMHCCOUSA-N 0 0 335.253 3.488 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000871756568 1296520607 /nfs/dbraw/zinc/52/06/07/1296520607.db2.gz XGXJMHPVPALPGS-SKDRFNHKSA-N 0 0 347.293 3.168 10 5 EGBERN C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087511 1296727019 /nfs/dbraw/zinc/72/70/19/1296727019.db2.gz IZRFSSOUAGFFFM-SKDRFNHKSA-N 0 0 346.284 3.385 10 5 EGBERN CCNc1ccc(C(=O)N2CCCCc3cccnc32)cc1[N+](=O)[O-] ZINC000872302197 1296905490 /nfs/dbraw/zinc/90/54/90/1296905490.db2.gz RPRSCDZDHDWEKG-UHFFFAOYSA-N 0 0 340.383 3.405 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000312200469 1297115549 /nfs/dbraw/zinc/11/55/49/1297115549.db2.gz CTSNBPXZSPNHGW-VIFPVBQESA-N 0 0 342.193 3.015 10 5 EGBERN CO[C@H]1C[C@@H](COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000873363542 1297463392 /nfs/dbraw/zinc/46/33/92/1297463392.db2.gz KLNYBDVWBWOQDW-WAAGHKOSSA-N 0 0 333.262 3.195 10 5 EGBERN CC[C@H](CCc1cccnc1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000873589142 1297615174 /nfs/dbraw/zinc/61/51/74/1297615174.db2.gz UAYHDSFWAWLGFQ-MRXNPFEDSA-N 0 0 328.368 3.487 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000875348202 1298304969 /nfs/dbraw/zinc/30/49/69/1298304969.db2.gz GDGRGXLHERAWLO-LZWOXQAQSA-N 0 0 349.456 3.440 10 5 EGBERN Cc1cc(NCc2cn(C)nc2[N+](=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000877165536 1299189521 /nfs/dbraw/zinc/18/95/21/1299189521.db2.gz IYDXLPUJBICJLJ-UHFFFAOYSA-N 0 0 340.387 3.051 10 5 EGBERN O=[N+]([O-])c1nc(Br)ccc1OCCSC(F)(F)F ZINC000877891427 1299621937 /nfs/dbraw/zinc/62/19/37/1299621937.db2.gz PVDOHOBCDFVCCY-UHFFFAOYSA-N 0 0 347.112 3.384 10 5 EGBERN O=C(NCCC1=CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000877912921 1299636773 /nfs/dbraw/zinc/63/67/73/1299636773.db2.gz IYDMHDIIMQITPF-UHFFFAOYSA-N 0 0 346.383 3.376 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC(C2CCCC2)C1 ZINC000879839485 1300759301 /nfs/dbraw/zinc/75/93/01/1300759301.db2.gz YWQGOUIFTBAMOJ-UHFFFAOYSA-N 0 0 346.383 3.018 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000882194276 1301873824 /nfs/dbraw/zinc/87/38/24/1301873824.db2.gz GVEVCSCGWQMUFK-CQSZACIVSA-N 0 0 348.399 3.356 10 5 EGBERN O=C(c1cnc(CC2CC2)s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000887861925 1303959754 /nfs/dbraw/zinc/95/97/54/1303959754.db2.gz CXEBGDXOYCIMSH-UHFFFAOYSA-N 0 0 329.381 3.207 10 5 EGBERN C/C(=C/C(=O)NC1CC2(C1)COC(C)(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000889727483 1304575294 /nfs/dbraw/zinc/57/52/94/1304575294.db2.gz NUOXUMQNURUSQT-JYRVWZFOSA-N 0 0 344.411 3.462 10 5 EGBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000890769187 1304875984 /nfs/dbraw/zinc/87/59/84/1304875984.db2.gz LCGXAFSQRZLJOW-NOZJJQNGSA-N 0 0 339.189 3.442 10 5 EGBERN CC(C)(NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000891144039 1304966860 /nfs/dbraw/zinc/96/68/60/1304966860.db2.gz BQEOBVZHKKTNQR-CYBMUJFWSA-N 0 0 332.400 3.438 10 5 EGBERN Cc1nn(C)c(C)c1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893315173 1305823690 /nfs/dbraw/zinc/82/36/90/1305823690.db2.gz ORXAWXWZFZFRAP-UHFFFAOYSA-N 0 0 343.383 3.110 10 5 EGBERN COc1ccc(C(=O)O[C@@H]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000893484436 1305918747 /nfs/dbraw/zinc/91/87/47/1305918747.db2.gz WLXODRHNGOECOQ-DZGCQCFKSA-N 0 0 337.372 3.211 10 5 EGBERN CO[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000893500528 1305933021 /nfs/dbraw/zinc/93/30/21/1305933021.db2.gz MGIMJQCNWYBLCJ-CQSZACIVSA-N 0 0 346.305 3.005 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCn2c(C)cnc21 ZINC000893525223 1305950517 /nfs/dbraw/zinc/95/05/17/1305950517.db2.gz XBTGSRQQCRFUQJ-GDXASINISA-N 0 0 327.340 3.191 10 5 EGBERN CC(C)(C(=O)O[C@H]1c2ccccc2CC[C@H]1F)n1cc([N+](=O)[O-])cn1 ZINC000893720742 1306048502 /nfs/dbraw/zinc/04/85/02/1306048502.db2.gz AADMGFBCRCRLNJ-CABCVRRESA-N 0 0 347.346 3.095 10 5 EGBERN CC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893863566 1306104088 /nfs/dbraw/zinc/10/40/88/1306104088.db2.gz FZAXFWIQAONOAT-MFKMUULPSA-N 0 0 326.780 3.183 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000893910198 1306125925 /nfs/dbraw/zinc/12/59/25/1306125925.db2.gz YEBSPNCCVRXQNX-CQSZACIVSA-N 0 0 332.400 3.352 10 5 EGBERN CC(C)(C(=O)NCc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000894266150 1306309828 /nfs/dbraw/zinc/30/98/28/1306309828.db2.gz JZGAFCHETFBRDH-UHFFFAOYSA-N 0 0 329.356 3.054 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCc3nc[nH]c3C23CCC3)c1 ZINC000895068379 1309178446 /nfs/dbraw/zinc/17/84/46/1309178446.db2.gz WYPGTHYLILPBEO-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(C2CC2)CCC1 ZINC000895359172 1309299731 /nfs/dbraw/zinc/29/97/31/1309299731.db2.gz AYHLKKJTFSPCQB-UHFFFAOYSA-N 0 0 338.791 3.466 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C2CC2)CCC1 ZINC000895360583 1309300645 /nfs/dbraw/zinc/30/06/45/1309300645.db2.gz SCRIPWDSENQFEU-SNVBAGLBSA-N 0 0 338.791 3.464 10 5 EGBERN O=[N+]([O-])c1cccc(Cc2nc([C@H]3CCOC4(CCC4)C3)no2)c1 ZINC000897105235 1310181357 /nfs/dbraw/zinc/18/13/57/1310181357.db2.gz LBGYMHYSENBTSZ-ZDUSSCGKSA-N 0 0 329.356 3.385 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](NC1CC1)C(F)(F)F ZINC000897229950 1310232315 /nfs/dbraw/zinc/23/23/15/1310232315.db2.gz ZJLCTBSIWKVAIM-CQSZACIVSA-N 0 0 345.321 3.282 10 5 EGBERN CC(=O)c1cc(N2CC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000897283328 1310267750 /nfs/dbraw/zinc/26/77/50/1310267750.db2.gz IYPFTYHPCAGHOK-LBPRGKRZSA-N 0 0 331.397 3.323 10 5 EGBERN COc1ccc(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000929180536 1328529331 /nfs/dbraw/zinc/52/93/31/1328529331.db2.gz VQWRMLZXYARAMP-UHFFFAOYSA-N 0 0 346.358 3.034 10 5 EGBERN CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000857572044 1328550893 /nfs/dbraw/zinc/55/08/93/1328550893.db2.gz RLZINWKTLSZDGU-ZDUSSCGKSA-N 0 0 338.335 3.040 10 5 EGBERN COC(=O)C1(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000857577266 1328552383 /nfs/dbraw/zinc/55/23/83/1328552383.db2.gz XZYJXLWYTWUSHK-GFCCVEGCSA-N 0 0 347.367 3.323 10 5 EGBERN CO[C@@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000857599038 1328559466 /nfs/dbraw/zinc/55/94/66/1328559466.db2.gz GNNZDGOLBRYKQD-GFCCVEGCSA-N 0 0 343.177 3.111 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000857637202 1328570605 /nfs/dbraw/zinc/57/06/05/1328570605.db2.gz XYSQIXAWRXWNPW-YUMQZZPRSA-N 0 0 348.233 3.387 10 5 EGBERN COc1cnc(F)c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000857667294 1328579935 /nfs/dbraw/zinc/57/99/35/1328579935.db2.gz SBFLNABRSHRTTA-UHFFFAOYSA-N 0 0 345.330 3.121 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857686327 1328584352 /nfs/dbraw/zinc/58/43/52/1328584352.db2.gz WEZWQDSDNYICCS-SECBINFHSA-N 0 0 347.198 3.307 10 5 EGBERN CCOc1ccc(C(=O)NCC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857690003 1328584666 /nfs/dbraw/zinc/58/46/66/1328584666.db2.gz WLDPSQKOIBLWOR-SNVBAGLBSA-N 0 0 347.198 3.307 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857902518 1328620277 /nfs/dbraw/zinc/62/02/77/1328620277.db2.gz SLAOULUGYVCLPK-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899679998 1317132542 /nfs/dbraw/zinc/13/25/42/1317132542.db2.gz KANNFOCNFNOKPB-WYMLVPIESA-N 0 0 344.411 3.200 10 5 EGBERN Cn1c(C(=O)N2CCCC[C@H]2CC2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC000899750015 1317143616 /nfs/dbraw/zinc/14/36/16/1317143616.db2.gz CBEGNZWKKAOGGF-AWEZNQCLSA-N 0 0 349.431 3.013 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCCc2occc21 ZINC000929900770 1328734425 /nfs/dbraw/zinc/73/44/25/1328734425.db2.gz WMTQVYHQODFGCU-AWEZNQCLSA-N 0 0 332.331 3.453 10 5 EGBERN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)OC ZINC000858339116 1328740557 /nfs/dbraw/zinc/74/05/57/1328740557.db2.gz ZTJXSNDZVNDIIZ-ZBEGNZNMSA-N 0 0 344.367 3.066 10 5 EGBERN CC(C)(C)OC(=O)NCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858366951 1328746058 /nfs/dbraw/zinc/74/60/58/1328746058.db2.gz FVRSSOXODKAODC-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(CCOC1CCSCC1)C1CC1 ZINC000930061273 1328775621 /nfs/dbraw/zinc/77/56/21/1328775621.db2.gz QERQJQTZFYEXSL-UHFFFAOYSA-N 0 0 336.457 3.471 10 5 EGBERN CC(C)OCCCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385252 1319020681 /nfs/dbraw/zinc/02/06/81/1319020681.db2.gz UUAKMXLLFRWMRB-UHFFFAOYSA-N 0 0 332.759 3.209 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000913588090 1319065321 /nfs/dbraw/zinc/06/53/21/1319065321.db2.gz CONXPRHQJRIUFA-LLVKDONJSA-N 0 0 328.372 3.003 10 5 EGBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000913759110 1319117033 /nfs/dbraw/zinc/11/70/33/1319117033.db2.gz IOBTVDZDPXIUQA-WPRPVWTQSA-N 0 0 344.795 3.212 10 5 EGBERN COCC1(N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1 ZINC000913818909 1319136350 /nfs/dbraw/zinc/13/63/50/1319136350.db2.gz RVENOYZHJJGBNG-UHFFFAOYSA-N 0 0 330.743 3.028 10 5 EGBERN O=[N+]([O-])c1c(NC[C@]23OCCC[C@H]2C3(F)F)ccc2cnccc21 ZINC000858627587 1328813885 /nfs/dbraw/zinc/81/38/85/1328813885.db2.gz NJMDFCNZPYGNEV-HIFRSBDPSA-N 0 0 335.310 3.369 10 5 EGBERN C[C@@]1(Br)C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000858649416 1328817347 /nfs/dbraw/zinc/81/73/47/1328817347.db2.gz VXOISVPXAKMSKX-NOZJJQNGSA-N 0 0 338.161 3.210 10 5 EGBERN Cc1cnc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000914239998 1319275316 /nfs/dbraw/zinc/27/53/16/1319275316.db2.gz VSVRYUHQXJUNTR-ZDUSSCGKSA-N 0 0 328.372 3.167 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000915213099 1319444618 /nfs/dbraw/zinc/44/46/18/1319444618.db2.gz OHAWZCLBJXWTPM-VMPITWQZSA-N 0 0 330.340 3.337 10 5 EGBERN Cc1cccc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])s3)n2)c1 ZINC000915232019 1319449398 /nfs/dbraw/zinc/44/93/98/1319449398.db2.gz OJCBQRVDLFKDAT-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@@H]1CC1CC1 ZINC000930316884 1328832030 /nfs/dbraw/zinc/83/20/30/1328832030.db2.gz PTVTUTODTYBSRT-AWEZNQCLSA-N 0 0 333.388 3.244 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000930317299 1328832106 /nfs/dbraw/zinc/83/21/06/1328832106.db2.gz TXUNMQPBBBCGDD-BLQFLSLASA-N 0 0 333.388 3.291 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000930317906 1328832274 /nfs/dbraw/zinc/83/22/74/1328832274.db2.gz XVGDPYHLNHFLQY-CQSZACIVSA-N 0 0 333.388 3.435 10 5 EGBERN CC(F)(F)CCCS(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915708239 1319526053 /nfs/dbraw/zinc/52/60/53/1319526053.db2.gz JNHMPVNDBFALBI-UHFFFAOYSA-N 0 0 343.735 3.392 10 5 EGBERN C[C@@]1(Br)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000858750249 1328851790 /nfs/dbraw/zinc/85/17/90/1328851790.db2.gz QAJBAVRCCVXRMC-XUOSJQGZSA-N 0 0 330.163 3.347 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]1C(F)(F)F ZINC000930517659 1328884031 /nfs/dbraw/zinc/88/40/31/1328884031.db2.gz QATPXDKHAONBQU-SNVBAGLBSA-N 0 0 339.111 3.494 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)OC(C)(C)C ZINC000859280586 1328960260 /nfs/dbraw/zinc/96/02/60/1328960260.db2.gz DHOOOENVJSMWHS-LLVKDONJSA-N 0 0 344.367 3.208 10 5 EGBERN CCCC(=O)N1CCC[C@H](C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000919614126 1322086297 /nfs/dbraw/zinc/08/62/97/1322086297.db2.gz KJLIUCAYSLVEQX-ZFWWWQNUSA-N 0 0 348.399 3.238 10 5 EGBERN COC(=O)/C=C\c1ccc(NCc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000919964673 1322122583 /nfs/dbraw/zinc/12/25/83/1322122583.db2.gz AZOVLDMJLAGZEJ-XQRVVYSFSA-N 0 0 333.369 3.158 10 5 EGBERN CO[C@@H](COc1cc(Cl)c([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000920243535 1322153927 /nfs/dbraw/zinc/15/39/27/1322153927.db2.gz IABADHSJBTXDET-SDBXPKJASA-N 0 0 336.171 3.332 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000920954404 1322238165 /nfs/dbraw/zinc/23/81/65/1322238165.db2.gz KENVPQPEKUKKDS-MJGOQNOKSA-N 0 0 340.379 3.166 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859552617 1329015565 /nfs/dbraw/zinc/01/55/65/1329015565.db2.gz BAFPSQCTDVNBNR-IUODEOHRSA-N 0 0 328.368 3.029 10 5 EGBERN COc1ccc(CNCc2nccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000921611771 1322363387 /nfs/dbraw/zinc/36/33/87/1322363387.db2.gz IYOCMLLZGNMDBD-UHFFFAOYSA-N 0 0 327.384 3.167 10 5 EGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCOC1 ZINC000922134565 1322463119 /nfs/dbraw/zinc/46/31/19/1322463119.db2.gz IPTCCJCIVBNFEO-CMPLNLGQSA-N 0 0 326.780 3.183 10 5 EGBERN CCc1onc(C)c1COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000922160204 1322468826 /nfs/dbraw/zinc/46/88/26/1322468826.db2.gz YXPFFOWLVQTOQT-UHFFFAOYSA-N 0 0 336.369 3.289 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922396179 1322519251 /nfs/dbraw/zinc/51/92/51/1322519251.db2.gz WCDKSNUQMSWXHL-PWSUYJOCSA-N 0 0 333.262 3.170 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1F ZINC000922416307 1322524286 /nfs/dbraw/zinc/52/42/86/1322524286.db2.gz UERJTIZIDYJOIF-PBHICJAKSA-N 0 0 346.333 3.418 10 5 EGBERN CC(C)(C(=O)OCc1ccnc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000859639921 1329042340 /nfs/dbraw/zinc/04/23/40/1329042340.db2.gz OMCUBDRNTSJWJK-UHFFFAOYSA-N 0 0 336.294 3.289 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(F)c1 ZINC000859640099 1329042132 /nfs/dbraw/zinc/04/21/32/1329042132.db2.gz QJWMHHLSQUANEA-CQSZACIVSA-N 0 0 332.331 3.441 10 5 EGBERN CCn1nc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1C1CC1 ZINC000923510582 1322766100 /nfs/dbraw/zinc/76/61/00/1322766100.db2.gz YFKZJUDDNOOSHY-UHFFFAOYSA-N 0 0 333.319 3.185 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@H]1CCC[C@H](O)C1 ZINC000923598503 1322779622 /nfs/dbraw/zinc/77/96/22/1322779622.db2.gz KMSYFSZFOTYUEJ-FZMZJTMJSA-N 0 0 341.791 3.275 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OC[C@@H]1CCC[C@H](O)C1 ZINC000923598504 1322779747 /nfs/dbraw/zinc/77/97/47/1322779747.db2.gz KMSYFSZFOTYUEJ-RISCZKNCSA-N 0 0 341.791 3.275 10 5 EGBERN CCOC1CC(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000923962495 1322856590 /nfs/dbraw/zinc/85/65/90/1322856590.db2.gz OFBIXYRAZLHVQJ-UHFFFAOYSA-N 0 0 325.336 3.025 10 5 EGBERN C[C@H]1C[C@@H](COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000923962601 1322856694 /nfs/dbraw/zinc/85/66/94/1322856694.db2.gz PPPOTQSSOFFBBM-RYUDHWBXSA-N 0 0 325.336 3.025 10 5 EGBERN CC(=O)[C@H](C)CCOC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923961977 1322857164 /nfs/dbraw/zinc/85/71/64/1322857164.db2.gz LUIAGZPIYNODSD-SNVBAGLBSA-N 0 0 327.764 3.339 10 5 EGBERN CC(C)n1ccc(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000923965690 1322858305 /nfs/dbraw/zinc/85/83/05/1322858305.db2.gz XYJFQVBJTUCBFQ-UHFFFAOYSA-N 0 0 335.335 3.187 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC1CCOCC1 ZINC000923968322 1322859448 /nfs/dbraw/zinc/85/94/48/1322859448.db2.gz ZPZBCQXZAHOCHV-UHFFFAOYSA-N 0 0 327.764 3.151 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000931118366 1329054795 /nfs/dbraw/zinc/05/47/95/1329054795.db2.gz RVINZTXMURAHEJ-HNNXBMFYSA-N 0 0 342.399 3.029 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000924020092 1322875129 /nfs/dbraw/zinc/87/51/29/1322875129.db2.gz SDKRZCYMUUVGFG-IVMMDQJWSA-N 0 0 335.404 3.160 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000924020091 1322875243 /nfs/dbraw/zinc/87/52/43/1322875243.db2.gz SDKRZCYMUUVGFG-INWMFGNUSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC[C@H]1CCCCO1 ZINC000924241478 1322949352 /nfs/dbraw/zinc/94/93/52/1322949352.db2.gz XOLIYBGGNZMDDZ-GFCCVEGCSA-N 0 0 327.764 3.293 10 5 EGBERN CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(F)F ZINC000859711036 1329060863 /nfs/dbraw/zinc/06/08/63/1329060863.db2.gz DBUCRYGJOVBLJM-UHFFFAOYSA-N 0 0 333.262 3.141 10 5 EGBERN O=C(COC(=O)C1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000859709500 1329061077 /nfs/dbraw/zinc/06/10/77/1329061077.db2.gz RFEJUVOOIIGTMN-UHFFFAOYSA-N 0 0 349.236 3.192 10 5 EGBERN CC[C@@H](CC(F)F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859717679 1329063116 /nfs/dbraw/zinc/06/31/16/1329063116.db2.gz MPUUJBICIAUFNT-QMMMGPOBSA-N 0 0 333.262 3.141 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCSC[C@H]1C ZINC000931262232 1329081326 /nfs/dbraw/zinc/08/13/26/1329081326.db2.gz OVRHXTNBBMBXAC-LLVKDONJSA-N 0 0 339.417 3.353 10 5 EGBERN CCCCCNC(=O)COC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810370 1329083275 /nfs/dbraw/zinc/08/32/75/1329083275.db2.gz MNLKYFGSXVHBPB-UHFFFAOYSA-N 0 0 344.367 3.211 10 5 EGBERN C[C@@H]1N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1(C)C ZINC000860128574 1329152995 /nfs/dbraw/zinc/15/29/95/1329152995.db2.gz NYQOHOHVPRMPAL-LBPRGKRZSA-N 0 0 328.368 3.388 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCCc2cccnc21 ZINC000931610030 1329153187 /nfs/dbraw/zinc/15/31/87/1329153187.db2.gz NKZJUIFQVWOOAJ-ZDUSSCGKSA-N 0 0 330.319 3.328 10 5 EGBERN O=C(NC[C@@H]1CCCC2(CCC2)O1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931609166 1329153320 /nfs/dbraw/zinc/15/33/20/1329153320.db2.gz CTVGBLDHLJINCW-LBPRGKRZSA-N 0 0 337.351 3.347 10 5 EGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000931624689 1329156180 /nfs/dbraw/zinc/15/61/80/1329156180.db2.gz UUSKBLHHXFQZKZ-ZWNOBZJWSA-N 0 0 339.779 3.103 10 5 EGBERN CC[C@H](C[C@H](C)CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860167923 1329164929 /nfs/dbraw/zinc/16/49/29/1329164929.db2.gz POHHUXCXNLLDOE-GXTWGEPZSA-N 0 0 330.384 3.275 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@@H](c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925243051 1325094292 /nfs/dbraw/zinc/09/42/92/1325094292.db2.gz JTKIZBNSIUOUIT-UKRRQHHQSA-N 0 0 340.383 3.250 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H]2CSC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925246152 1325095720 /nfs/dbraw/zinc/09/57/20/1325095720.db2.gz CKLFKCBAQPJIKI-XBFCOCLRSA-N 0 0 335.429 3.050 10 5 EGBERN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000926316764 1325515469 /nfs/dbraw/zinc/51/54/69/1325515469.db2.gz NJTIYEYRUOSEIX-NWDGAFQWSA-N 0 0 347.293 3.216 10 5 EGBERN CC(C)[C@@H](O)C1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860608927 1329335453 /nfs/dbraw/zinc/33/54/53/1329335453.db2.gz IALXOCFKHHYHEQ-QGZVFWFLSA-N 0 0 342.395 3.275 10 5 EGBERN CC(C)(NC(=O)NC[C@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000927201317 1327916628 /nfs/dbraw/zinc/91/66/28/1327916628.db2.gz IFIHVDSFLRHBMR-KRWDZBQOSA-N 0 0 335.404 3.088 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927478655 1328039692 /nfs/dbraw/zinc/03/96/92/1328039692.db2.gz ICNCRJRAZXSIJD-XEZPLFJOSA-N 0 0 330.384 3.110 10 5 EGBERN COC[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000927586004 1328071302 /nfs/dbraw/zinc/07/13/02/1328071302.db2.gz GXHWBFZIJSRXSO-OAHLLOKOSA-N 0 0 349.431 3.187 10 5 EGBERN COC(=O)CC1CC(NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000927940149 1328158837 /nfs/dbraw/zinc/15/88/37/1328158837.db2.gz XTFDXBCWDSIJIR-UHFFFAOYSA-N 0 0 348.402 3.460 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000928238614 1328249428 /nfs/dbraw/zinc/24/94/28/1328249428.db2.gz GBPJLOZMTIHRKU-JXMNSVBMSA-N 0 0 332.400 3.414 10 5 EGBERN CCn1nc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000928246549 1328254507 /nfs/dbraw/zinc/25/45/07/1328254507.db2.gz GNFWHJSPWHQXGQ-LLVKDONJSA-N 0 0 328.372 3.180 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000928376767 1328295567 /nfs/dbraw/zinc/29/55/67/1328295567.db2.gz LRKSVOXXFDIGJL-ZDUSSCGKSA-N 0 0 346.412 3.028 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CCC(=O)C1 ZINC000861444867 1329418756 /nfs/dbraw/zinc/41/87/56/1329418756.db2.gz DFKOYCDBLWKCSL-JOYOIKCWSA-N 0 0 331.246 3.111 10 5 EGBERN CC(C)(C)c1cc2n(n1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000929116216 1328509410 /nfs/dbraw/zinc/50/94/10/1328509410.db2.gz OKXAUERPAVTAPN-UHFFFAOYSA-N 0 0 343.387 3.137 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(O)(C2CCC2)CC1 ZINC000929119001 1328510678 /nfs/dbraw/zinc/51/06/78/1328510678.db2.gz ZTASZNLTOZQLHY-UHFFFAOYSA-N 0 0 333.388 3.062 10 5 EGBERN COC(=O)C(C)(C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861662726 1329434666 /nfs/dbraw/zinc/43/46/66/1329434666.db2.gz FHOIYLUDDMWUDP-UHFFFAOYSA-N 0 0 344.367 3.067 10 5 EGBERN O=C(NCCO[C@H]1CCCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861783665 1329441586 /nfs/dbraw/zinc/44/15/86/1329441586.db2.gz JCGMXCHMOHFKQH-KRWDZBQOSA-N 0 0 344.367 3.021 10 5 EGBERN COC[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861861053 1329446204 /nfs/dbraw/zinc/44/62/04/1329446204.db2.gz DWNMMOZDJJWWCN-SFHVURJKSA-N 0 0 328.368 3.247 10 5 EGBERN CO[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862126305 1329460410 /nfs/dbraw/zinc/46/04/10/1329460410.db2.gz OWFRYTMFJOSJGG-IAGOWNOFSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H]1CCO ZINC000862179272 1329464243 /nfs/dbraw/zinc/46/42/43/1329464243.db2.gz XODARBIARACJFO-UGSOOPFHSA-N 0 0 342.395 3.371 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC(Cc3ccco3)C2)c1F ZINC000862865582 1329516278 /nfs/dbraw/zinc/51/62/78/1329516278.db2.gz DZDCKNYONMBLRR-UHFFFAOYSA-N 0 0 336.294 3.089 10 5 EGBERN C/C=C/C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340401 1329548583 /nfs/dbraw/zinc/54/85/83/1329548583.db2.gz KKYZSDAXYVKVID-FAAWYNLUSA-N 0 0 341.415 3.489 10 5 EGBERN COC(=O)c1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2ccccc12 ZINC000863362430 1329549951 /nfs/dbraw/zinc/54/99/51/1329549951.db2.gz WFWJAQSETUSZJI-UHFFFAOYSA-N 0 0 344.367 3.400 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863588173 1329565085 /nfs/dbraw/zinc/56/50/85/1329565085.db2.gz FTFBPVQXDUQCQE-BONVTDFDSA-N 0 0 332.385 3.004 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccns2)c1 ZINC000863603469 1329566046 /nfs/dbraw/zinc/56/60/46/1329566046.db2.gz FEUYYHYDEUYNDC-LLVKDONJSA-N 0 0 335.385 3.006 10 5 EGBERN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccns1 ZINC000863612554 1329567442 /nfs/dbraw/zinc/56/74/42/1329567442.db2.gz LOJXIKWDWIIPRB-VIFPVBQESA-N 0 0 337.376 3.345 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863813489 1329583206 /nfs/dbraw/zinc/58/32/06/1329583206.db2.gz IYUCSTDKGVYBJA-BAABZTOOSA-N 0 0 342.399 3.149 10 5 EGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000863938445 1329589968 /nfs/dbraw/zinc/58/99/68/1329589968.db2.gz SUNBOLLDJNEOBZ-MNOVXSKESA-N 0 0 326.805 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ncccn3)C2)c(C(F)F)c1 ZINC000865899103 1329750242 /nfs/dbraw/zinc/75/02/42/1329750242.db2.gz SZTXWYHFBQGMED-SNVBAGLBSA-N 0 0 335.314 3.013 10 5 EGBERN COc1cc(CNc2ccc(C)c(Br)c2[N+](=O)[O-])on1 ZINC000865948697 1329753970 /nfs/dbraw/zinc/75/39/70/1329753970.db2.gz RNBYWJQXIBEZQN-UHFFFAOYSA-N 0 0 342.149 3.274 10 5 EGBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865953091 1329754040 /nfs/dbraw/zinc/75/40/40/1329754040.db2.gz DPNMAALZKTUJAA-NSHDSACASA-N 0 0 341.358 3.273 10 5 EGBERN CC[C@@H](NC(=O)c1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000934209027 1329955766 /nfs/dbraw/zinc/95/57/66/1329955766.db2.gz IRKXJAQCEOANPB-OAHLLOKOSA-N 0 0 328.372 3.397 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000866051809 1330059651 /nfs/dbraw/zinc/05/96/51/1330059651.db2.gz IHUFHCBYRRWTRG-SJORKVTESA-N 0 0 338.367 3.174 10 5 EGBERN COc1cc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000866142142 1330070048 /nfs/dbraw/zinc/07/00/48/1330070048.db2.gz REDMRENNYJRJRC-PXAZEXFGSA-N 0 0 336.388 3.229 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)s1 ZINC000866156244 1330071468 /nfs/dbraw/zinc/07/14/68/1330071468.db2.gz WLOJLELRUIOLIC-UMSPYCQHSA-N 0 0 338.410 3.073 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC34CCOCC4)cc2N1 ZINC000866173986 1330073247 /nfs/dbraw/zinc/07/32/47/1330073247.db2.gz FVKAYXFTXPIDRN-ZDUSSCGKSA-N 0 0 345.399 3.098 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(OC(F)F)cc1F ZINC000866182924 1330074950 /nfs/dbraw/zinc/07/49/50/1330074950.db2.gz IEAHEVUJTQYWRK-UHFFFAOYSA-N 0 0 344.293 3.472 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000866249464 1330085513 /nfs/dbraw/zinc/08/55/13/1330085513.db2.gz XNVSDWPQEVQCGT-OLZOCXBDSA-N 0 0 336.779 3.314 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000868168339 1330258162 /nfs/dbraw/zinc/25/81/62/1330258162.db2.gz WUQQICDIXGJRRB-CYBMUJFWSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000868342908 1330272490 /nfs/dbraw/zinc/27/24/90/1330272490.db2.gz ZSKNGMLOHSPKOW-NWANDNLSSA-N 0 0 349.456 3.359 10 5 EGBERN C[C@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000868609108 1330299556 /nfs/dbraw/zinc/29/95/56/1330299556.db2.gz RRRDKAFOHFUVHE-LRDDRELGSA-N 0 0 326.352 3.166 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000868757306 1330333528 /nfs/dbraw/zinc/33/35/28/1330333528.db2.gz ZNKNRJQXUSFYGP-HNNXBMFYSA-N 0 0 347.415 3.194 10 5 EGBERN Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000869051977 1330402806 /nfs/dbraw/zinc/40/28/06/1330402806.db2.gz WHPHBAMICYRCNT-CQSZACIVSA-N 0 0 343.358 3.457 10 5 EGBERN C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCc2ccccc21 ZINC000869149680 1330425675 /nfs/dbraw/zinc/42/56/75/1330425675.db2.gz SEMSTWDDDVRVHM-ZDUSSCGKSA-N 0 0 342.370 3.465 10 5 EGBERN COC(=O)c1csc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000869445192 1330501275 /nfs/dbraw/zinc/50/12/75/1330501275.db2.gz SIYIUCQBLKAXKI-UHFFFAOYSA-N 0 0 349.364 3.037 10 5 EGBERN CCCCC(=O)COC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000869560315 1330523603 /nfs/dbraw/zinc/52/36/03/1330523603.db2.gz CRPBIQRUOGKJGI-UHFFFAOYSA-N 0 0 344.161 3.273 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)C1([C@@H]2CCCCO2)CCC1 ZINC000869810051 1330568546 /nfs/dbraw/zinc/56/85/46/1330568546.db2.gz OAGVDDNWJXXTBX-LBPRGKRZSA-N 0 0 325.386 3.439 10 5 EGBERN CSc1cccc(C(=O)OCC2CCC(O)CC2)c1[N+](=O)[O-] ZINC001324444573 1387624680 /nfs/dbraw/zinc/62/46/80/1387624680.db2.gz KURJMCJGGUWKRR-UHFFFAOYSA-N 0 0 325.386 3.025 10 5 EGBERN CCSCC[C@H](C)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001185603259 1387759038 /nfs/dbraw/zinc/75/90/38/1387759038.db2.gz RZLDTBXKRPSVDI-QMMMGPOBSA-N 0 0 340.371 3.315 10 5 EGBERN CC(=O)c1cccc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001190242139 1367207520 /nfs/dbraw/zinc/20/75/20/1367207520.db2.gz COTKAFUXKVFNCM-UHFFFAOYSA-N 0 0 329.308 3.148 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C3CC3)nn2C)c1 ZINC001324986100 1387872220 /nfs/dbraw/zinc/87/22/20/1387872220.db2.gz PQAVRIGUHQKRSS-UHFFFAOYSA-N 0 0 332.385 3.180 10 5 EGBERN CCOc1ccccc1OCCN1CCc2c1cccc2[N+](=O)[O-] ZINC001192966978 1367913095 /nfs/dbraw/zinc/91/30/95/1367913095.db2.gz ZFJQUGHFRAWEPY-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1ncccc1F ZINC001186351114 1387927686 /nfs/dbraw/zinc/92/76/86/1387927686.db2.gz MLTHGEDQCMLMSZ-UHFFFAOYSA-N 0 0 332.722 3.365 10 5 EGBERN CCON(Cc1ccccc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001195188172 1368396815 /nfs/dbraw/zinc/39/68/15/1368396815.db2.gz PNLYHCYNGXVQGJ-CQSZACIVSA-N 0 0 343.383 3.376 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCCO[C@@H](C(C)C)C3)c2c1 ZINC001186564537 1387970957 /nfs/dbraw/zinc/97/09/57/1387970957.db2.gz CGACFCSJNFTAQS-QGZVFWFLSA-N 0 0 345.399 3.403 10 5 EGBERN COC(=O)C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC001187034613 1388043431 /nfs/dbraw/zinc/04/34/31/1388043431.db2.gz LYTQRSLWBBSABT-GFCCVEGCSA-N 0 0 329.356 3.144 10 5 EGBERN COc1ccccc1SCc1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001117239763 1371027649 /nfs/dbraw/zinc/02/76/49/1371027649.db2.gz MIFWTQDSYQSFHO-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN CN(Cc1nnc(Cc2ccsc2)o1)c1ccccc1[N+](=O)[O-] ZINC001117254364 1371029487 /nfs/dbraw/zinc/02/94/87/1371029487.db2.gz GGVZPUDKTBJWQO-UHFFFAOYSA-N 0 0 330.369 3.267 10 5 EGBERN CC1(C)C[C@H](OC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC001118388187 1371171502 /nfs/dbraw/zinc/17/15/02/1371171502.db2.gz ZSKLBQCQJHNBGT-LBPRGKRZSA-N 0 0 348.380 3.443 10 5 EGBERN CC(C)c1noc(CCNc2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001118863508 1371242339 /nfs/dbraw/zinc/24/23/39/1371242339.db2.gz TXBTVEANOBVGKG-UHFFFAOYSA-N 0 0 327.344 3.304 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001187558892 1388126211 /nfs/dbraw/zinc/12/62/11/1388126211.db2.gz MBHCANAGUAAXMB-LDYMZIIASA-N 0 0 349.265 3.415 10 5 EGBERN COc1cncc(/C=C/CCSCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119538919 1371363930 /nfs/dbraw/zinc/36/39/30/1371363930.db2.gz IERQCUBMZOIQDR-HWKANZROSA-N 0 0 334.401 3.069 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1Nc1cnn(C2CCC2)c1 ZINC001187739670 1388153372 /nfs/dbraw/zinc/15/33/72/1388153372.db2.gz FDFVTDCAQPRZKB-UHFFFAOYSA-N 0 0 327.319 3.369 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001187757034 1388156036 /nfs/dbraw/zinc/15/60/36/1388156036.db2.gz DRVPKSSYSWTSIC-LRDDRELGSA-N 0 0 331.347 3.074 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1NCc1cnn(CC3CCC3)c1)CCCC2 ZINC001187751210 1388155187 /nfs/dbraw/zinc/15/51/87/1388155187.db2.gz ARBDRNUMKDZIIQ-UHFFFAOYSA-N 0 0 341.415 3.477 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC001187832719 1388173932 /nfs/dbraw/zinc/17/39/32/1388173932.db2.gz MFHDXYMGFWLUHX-CQSZACIVSA-N 0 0 342.355 3.043 10 5 EGBERN O=C(OCc1ccn(C(F)F)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001123037755 1372367613 /nfs/dbraw/zinc/36/76/13/1372367613.db2.gz DJBXDKFVQQVTMM-OLZOCXBDSA-N 0 0 337.282 3.033 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1[nH]cnc1C(F)(F)F ZINC001123043405 1372368119 /nfs/dbraw/zinc/36/81/19/1372368119.db2.gz MKFYKWMGRNYHRJ-UHFFFAOYSA-N 0 0 343.261 3.311 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001123269388 1372410873 /nfs/dbraw/zinc/41/08/73/1372410873.db2.gz YAGUSVIUEBPSTN-SECBINFHSA-N 0 0 329.303 3.303 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@@H](Cc3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001123360573 1372442119 /nfs/dbraw/zinc/44/21/19/1372442119.db2.gz OMOCMQFYPOPCEP-LBPRGKRZSA-N 0 0 346.412 3.456 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCC(F)(F)C1 ZINC001123461663 1372478050 /nfs/dbraw/zinc/47/80/50/1372478050.db2.gz DFCYXABMJIPBNH-VIFPVBQESA-N 0 0 343.282 3.097 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@]2(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC001124102779 1372673425 /nfs/dbraw/zinc/67/34/25/1372673425.db2.gz NEKFBMMESZGWQQ-LJQANCHMSA-N 0 0 340.379 3.027 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1([C@@H]2CCCO2)CCC1 ZINC001124118533 1372675887 /nfs/dbraw/zinc/67/58/87/1372675887.db2.gz JFDMQGAKAPOZKF-INIZCTEOSA-N 0 0 347.415 3.005 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nsc2ccccc21 ZINC001124338698 1372693087 /nfs/dbraw/zinc/69/30/87/1372693087.db2.gz NTXUEWKSDCOYHR-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001124338788 1372693150 /nfs/dbraw/zinc/69/31/50/1372693150.db2.gz RGBSGRRNOWUYLM-UHFFFAOYSA-N 0 0 349.274 3.211 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(F)c(Br)c1 ZINC001124404047 1372698946 /nfs/dbraw/zinc/69/89/46/1372698946.db2.gz UOKKPGXACRCVFO-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN O=C(Cc1ccc2cccnc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124643171 1372719198 /nfs/dbraw/zinc/71/91/98/1372719198.db2.gz YAPXCOXLPKCUGY-UHFFFAOYSA-N 0 0 333.347 3.275 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nncc2ccccc21 ZINC001124747911 1372727793 /nfs/dbraw/zinc/72/77/93/1372727793.db2.gz OKVXRYXGMJRDFT-UHFFFAOYSA-N 0 0 330.250 3.069 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(ccnc2Cl)o1 ZINC001125316186 1372769582 /nfs/dbraw/zinc/76/95/82/1372769582.db2.gz LQHXQPMBVGLPNL-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC2 ZINC001125643248 1372825909 /nfs/dbraw/zinc/82/59/09/1372825909.db2.gz PGUVDXNDLIFKQD-UHFFFAOYSA-N 0 0 340.379 3.419 10 5 EGBERN O=C(c1c(F)ccc2ccncc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126358900 1372959787 /nfs/dbraw/zinc/95/97/87/1372959787.db2.gz MCTQCDQIUUMZLF-UHFFFAOYSA-N 0 0 337.310 3.485 10 5 EGBERN CCc1ccc(F)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001126895337 1373048354 /nfs/dbraw/zinc/04/83/54/1373048354.db2.gz AYOIOAYDAISVRF-UHFFFAOYSA-N 0 0 328.343 3.495 10 5 EGBERN COc1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126922652 1373052418 /nfs/dbraw/zinc/05/24/18/1373052418.db2.gz CRIJJBUPECWNPQ-KBPBESRZSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c(C)n1 ZINC001126970039 1373061056 /nfs/dbraw/zinc/06/10/56/1373061056.db2.gz PQALNBFTZRWSCW-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COC(=O)c1cc(F)c(C)c(OC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001127197575 1373102593 /nfs/dbraw/zinc/10/25/93/1373102593.db2.gz ILXDGCSMSVIDDR-UHFFFAOYSA-N 0 0 347.298 3.357 10 5 EGBERN O=C(Cn1ccc2ccc(F)cc21)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001127356058 1373118258 /nfs/dbraw/zinc/11/82/58/1373118258.db2.gz QKGXZNQUMLCKCY-UHFFFAOYSA-N 0 0 332.262 3.433 10 5 EGBERN Cc1cccc(COCC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001127412313 1373125124 /nfs/dbraw/zinc/12/51/24/1373125124.db2.gz ABQPXONKDCSNST-UHFFFAOYSA-N 0 0 329.352 3.472 10 5 EGBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1(C)C ZINC001127430732 1373126333 /nfs/dbraw/zinc/12/63/33/1373126333.db2.gz CDFFIPRFKQELJU-DAXOMENPSA-N 0 0 346.427 3.192 10 5 EGBERN Cc1cc(COC(=O)c2coc(=O)c3ccccc23)ccc1[N+](=O)[O-] ZINC001127500544 1373132414 /nfs/dbraw/zinc/13/24/14/1373132414.db2.gz QDFILIYPIIQVDX-UHFFFAOYSA-N 0 0 339.303 3.367 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nn(C)c2ccccc12 ZINC001127853079 1373190645 /nfs/dbraw/zinc/19/06/45/1373190645.db2.gz CWDDTBVMVSFJAQ-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN Cc1ncccc1/C=C\C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127963179 1373204475 /nfs/dbraw/zinc/20/44/75/1373204475.db2.gz ZHEFMJPEEGOEEC-TWGQIWQCSA-N 0 0 334.335 3.498 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001128088956 1373217102 /nfs/dbraw/zinc/21/71/02/1373217102.db2.gz BFWNCRNGLMZIFS-SUMWQHHRSA-N 0 0 331.299 3.394 10 5 EGBERN COc1ccc(OC(=O)[C@H](C)OCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001128089569 1373217288 /nfs/dbraw/zinc/21/72/88/1373217288.db2.gz KHQQHAJCJAUHEK-ZDUSSCGKSA-N 0 0 345.351 3.423 10 5 EGBERN CC(C)C(C)(C)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001128200127 1373233432 /nfs/dbraw/zinc/23/34/32/1373233432.db2.gz CAMMDOTYVQQPRF-UHFFFAOYSA-N 0 0 344.415 3.252 10 5 EGBERN Cc1ccnc(C)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001128813589 1373313159 /nfs/dbraw/zinc/31/31/59/1373313159.db2.gz VLTOKKRRKTXXKP-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C/C(=C/c1ccncc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001128864110 1373318285 /nfs/dbraw/zinc/31/82/85/1373318285.db2.gz VJAKHFXTPIDDDF-YPKPFQOOSA-N 0 0 325.368 3.094 10 5 EGBERN Cc1ncncc1COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001128882441 1373320765 /nfs/dbraw/zinc/32/07/65/1373320765.db2.gz SBQRCDDDPNWRTG-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN CCOc1ccc(C(=O)NCCc2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC001129063341 1373341857 /nfs/dbraw/zinc/34/18/57/1373341857.db2.gz GTNQEUOGUNKYTR-UHFFFAOYSA-N 0 0 346.358 3.414 10 5 EGBERN COc1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)ccc1F ZINC001129107347 1373346945 /nfs/dbraw/zinc/34/69/45/1373346945.db2.gz FZTDCNYCTNQJNK-UHFFFAOYSA-N 0 0 334.278 3.085 10 5 EGBERN COc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC001129566394 1373398306 /nfs/dbraw/zinc/39/83/06/1373398306.db2.gz AGTPVRDVZYSQLH-DAXSKMNVSA-N 0 0 333.731 3.304 10 5 EGBERN O=C(N[C@@H]1COCc2ccccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001129854544 1373429295 /nfs/dbraw/zinc/42/92/95/1373429295.db2.gz UFAZHAQFHCORAZ-OAHLLOKOSA-N 0 0 338.319 3.342 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001129848680 1373429574 /nfs/dbraw/zinc/42/95/74/1373429574.db2.gz WECBXMRWTWDPAS-LSDHHAIUSA-N 0 0 331.416 3.339 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COCc3ccccc32)c1 ZINC001130043181 1373447485 /nfs/dbraw/zinc/44/74/85/1373447485.db2.gz MCSVCLTXVXVVNU-HNNXBMFYSA-N 0 0 344.392 3.318 10 5 EGBERN C[C@@H](C(=O)Nc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC001130196725 1373473283 /nfs/dbraw/zinc/47/32/83/1373473283.db2.gz TXBUYOUQUODWFA-MRVPVSSYSA-N 0 0 340.261 3.146 10 5 EGBERN Cc1nc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])sc1C ZINC001130761289 1373589109 /nfs/dbraw/zinc/58/91/09/1373589109.db2.gz NNRAKZGFSSUGJN-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccnc1C(F)F ZINC001131052303 1373633541 /nfs/dbraw/zinc/63/35/41/1373633541.db2.gz YELDLVXQBLKESK-UHFFFAOYSA-N 0 0 339.210 3.055 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(Cl)cn1 ZINC001131251020 1373669541 /nfs/dbraw/zinc/66/95/41/1373669541.db2.gz QUCQGVKFURHYNQ-UHFFFAOYSA-N 0 0 328.715 3.444 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC2 ZINC001131257189 1373670715 /nfs/dbraw/zinc/67/07/15/1373670715.db2.gz LWLTVUMLTOQGLZ-UHFFFAOYSA-N 0 0 330.365 3.261 10 5 EGBERN Cc1cn2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2n1 ZINC001131394040 1373688644 /nfs/dbraw/zinc/68/86/44/1373688644.db2.gz SDUVBLQMZKRRNV-UHFFFAOYSA-N 0 0 332.266 3.081 10 5 EGBERN Cc1ncccc1[C@@H](C)OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001131442915 1373699428 /nfs/dbraw/zinc/69/94/28/1373699428.db2.gz PHJCZJYFZLPARQ-SNVBAGLBSA-N 0 0 326.312 3.093 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)nn1C ZINC001131507495 1373713364 /nfs/dbraw/zinc/71/33/64/1373713364.db2.gz WTDOWIBDVINBAT-UHFFFAOYSA-N 0 0 346.240 3.047 10 5 EGBERN CC(C)(C(=O)Oc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC001131655658 1373747198 /nfs/dbraw/zinc/74/71/98/1373747198.db2.gz ZTPQGHOOTWPGIA-UHFFFAOYSA-N 0 0 327.336 3.413 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc2c(c1)C[C@@H](C)O2 ZINC001131789329 1373808360 /nfs/dbraw/zinc/80/83/60/1373808360.db2.gz LSNRESDURXOUER-LLVKDONJSA-N 0 0 343.335 3.284 10 5 EGBERN CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1OC ZINC001131826911 1373825529 /nfs/dbraw/zinc/82/55/29/1373825529.db2.gz WKKJOWMJSWWSFU-UHFFFAOYSA-N 0 0 345.355 3.348 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H](C)C(C)(C)C ZINC001224861844 1375080491 /nfs/dbraw/zinc/08/04/91/1375080491.db2.gz ANCVFHVPMHCIPG-GFCCVEGCSA-N 0 0 337.420 3.427 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001225569926 1375126188 /nfs/dbraw/zinc/12/61/88/1375126188.db2.gz ANJSPVLIHWEFFR-ZBFHGGJFSA-N 0 0 337.420 3.264 10 5 EGBERN CO[C@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001132421631 1375370713 /nfs/dbraw/zinc/37/07/13/1375370713.db2.gz LCCKTLKDSKNEBN-INIZCTEOSA-N 0 0 332.331 3.046 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(C3CCOCC3)o2)ccc1OC(F)F ZINC001327052312 1388369380 /nfs/dbraw/zinc/36/93/80/1388369380.db2.gz CKRUFWROCWCWJU-UHFFFAOYSA-N 0 0 341.270 3.140 10 5 EGBERN Cc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1[N+](=O)[O-] ZINC001132636925 1375493293 /nfs/dbraw/zinc/49/32/93/1375493293.db2.gz CSMZAGRFQOAXOS-MRXNPFEDSA-N 0 0 346.770 3.177 10 5 EGBERN COc1ccc(OCC(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001132649801 1375498198 /nfs/dbraw/zinc/49/81/98/1375498198.db2.gz QDGNSQSILQFAGH-UHFFFAOYSA-N 0 0 345.351 3.342 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2c(ccnc2Cl)o1 ZINC001132750553 1375546035 /nfs/dbraw/zinc/54/60/35/1375546035.db2.gz RKMMOZZYFZFDDM-UHFFFAOYSA-N 0 0 348.702 3.045 10 5 EGBERN CCc1ccc([C@H](C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001132960281 1375675046 /nfs/dbraw/zinc/67/50/46/1375675046.db2.gz RUFRBYRYYCJLNT-NSHDSACASA-N 0 0 329.356 3.303 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H](C)c1ccccc1C ZINC001132960616 1375675770 /nfs/dbraw/zinc/67/57/70/1375675770.db2.gz ZZIJXVNGNGBVIU-GFCCVEGCSA-N 0 0 329.356 3.439 10 5 EGBERN COc1ccc(F)c(OC)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001133117706 1375785893 /nfs/dbraw/zinc/78/58/93/1375785893.db2.gz RCEZVSSCFACLLZ-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN CO[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001133344187 1375934168 /nfs/dbraw/zinc/93/41/68/1375934168.db2.gz ROVNJPJYJHDCNE-BZNIZROVSA-N 0 0 332.331 3.299 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ncc(Cl)s2)c1F ZINC001133375436 1375955383 /nfs/dbraw/zinc/95/53/83/1375955383.db2.gz RNYGXDSHMCAYRA-UHFFFAOYSA-N 0 0 329.740 3.082 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2c(c1)ncn2C ZINC001133599751 1376112846 /nfs/dbraw/zinc/11/28/46/1376112846.db2.gz YHWBODBITZWVAD-UHFFFAOYSA-N 0 0 338.367 3.028 10 5 EGBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001133655049 1376140391 /nfs/dbraw/zinc/14/03/91/1376140391.db2.gz YFSDJANWJDVPFJ-SNVBAGLBSA-N 0 0 346.314 3.012 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001134274487 1376450019 /nfs/dbraw/zinc/45/00/19/1376450019.db2.gz LHMLMJQCLMFUKE-LBPRGKRZSA-N 0 0 343.339 3.345 10 5 EGBERN CN(CC(=O)NC[C@H]1CCC=CCCC1)c1ccccc1[N+](=O)[O-] ZINC001134952863 1376808035 /nfs/dbraw/zinc/80/80/35/1376808035.db2.gz CJPOYAIOZMKOLH-HNNXBMFYSA-N 0 0 331.416 3.284 10 5 EGBERN CCC(C)(C)C(=O)N(C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001327252972 1388467045 /nfs/dbraw/zinc/46/70/45/1388467045.db2.gz ZNUFMFLJQKPHOV-UHFFFAOYSA-N 0 0 341.477 3.373 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(-n3cccn3)c2)c1C ZINC001135078532 1376883947 /nfs/dbraw/zinc/88/39/47/1376883947.db2.gz NPBQTYZCAPDYAO-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cnc(F)c(F)c1 ZINC001135104878 1376900923 /nfs/dbraw/zinc/90/09/23/1376900923.db2.gz VXYSWHMMHJDNLD-UHFFFAOYSA-N 0 0 341.701 3.493 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001135476712 1377110661 /nfs/dbraw/zinc/11/06/61/1377110661.db2.gz XMZKDEOYTFIFCB-UHFFFAOYSA-N 0 0 344.342 3.355 10 5 EGBERN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001135573002 1377152394 /nfs/dbraw/zinc/15/23/94/1377152394.db2.gz SVUKMVQDTLSSLG-TXEJJXNPSA-N 0 0 327.384 3.448 10 5 EGBERN CCSc1c[nH]c(=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001135880879 1377247942 /nfs/dbraw/zinc/24/79/42/1377247942.db2.gz PDNOXDBBUXRTMN-UHFFFAOYSA-N 0 0 333.369 3.368 10 5 EGBERN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136040880 1377310075 /nfs/dbraw/zinc/31/00/75/1377310075.db2.gz GWBXJPWTXLRWJX-QGZVFWFLSA-N 0 0 342.399 3.273 10 5 EGBERN Nc1c(C(=O)Nc2cccc3c[nH]nc32)cc2ccccc2c1[N+](=O)[O-] ZINC001136041030 1377310105 /nfs/dbraw/zinc/31/01/05/1377310105.db2.gz MAMNLEUMXCNCTF-UHFFFAOYSA-N 0 0 347.334 3.459 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001266572680 1377335363 /nfs/dbraw/zinc/33/53/63/1377335363.db2.gz RHQOTGGIAHKLHN-UHFFFAOYSA-N 0 0 343.335 3.355 10 5 EGBERN COc1ccc(CNC(=O)/C=C\CCc2ccccc2)cc1[N+](=O)[O-] ZINC001136337435 1377379009 /nfs/dbraw/zinc/37/90/09/1377379009.db2.gz HZOMTQAKJCPIQI-POHAHGRESA-N 0 0 340.379 3.409 10 5 EGBERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136375083 1377384744 /nfs/dbraw/zinc/38/47/44/1377384744.db2.gz BWKPXHBJIAULPD-SNVBAGLBSA-N 0 0 340.339 3.118 10 5 EGBERN O=C([C@@H](O)C1CCCCCCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001136912984 1377438906 /nfs/dbraw/zinc/43/89/06/1377438906.db2.gz WZOSAYHBOFWCLA-KRWDZBQOSA-N 0 0 332.400 3.205 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001137072422 1377473145 /nfs/dbraw/zinc/47/31/45/1377473145.db2.gz CJDSKERHUJRZBN-TVYUQYBPSA-N 0 0 342.367 3.189 10 5 EGBERN CCc1cnc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC001137088164 1377476193 /nfs/dbraw/zinc/47/61/93/1377476193.db2.gz WQXKUCLKHROHNX-UHFFFAOYSA-N 0 0 325.777 3.197 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2c(Cl)cncc2Cl)cc1 ZINC001189267174 1388501930 /nfs/dbraw/zinc/50/19/30/1388501930.db2.gz VRNBZEQCTFXTHH-UHFFFAOYSA-N 0 0 347.179 3.271 10 5 EGBERN Cc1cccc([C@@H](O)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001137449770 1377549668 /nfs/dbraw/zinc/54/96/68/1377549668.db2.gz WGTFXPVWYMDBKK-INIZCTEOSA-N 0 0 348.786 3.328 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc(F)cc1 ZINC001137753356 1377610594 /nfs/dbraw/zinc/61/05/94/1377610594.db2.gz JNVJACRZBPTEQG-CQSZACIVSA-N 0 0 335.310 3.336 10 5 EGBERN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001137874040 1377634929 /nfs/dbraw/zinc/63/49/29/1377634929.db2.gz BYQKEDKSMKPSNL-DOMZBBRYSA-N 0 0 334.416 3.268 10 5 EGBERN COCc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC001138020028 1377667323 /nfs/dbraw/zinc/66/73/23/1377667323.db2.gz COCMJMSHJLHIBS-UHFFFAOYSA-N 0 0 344.302 3.009 10 5 EGBERN CC(C)Oc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001138221294 1377690908 /nfs/dbraw/zinc/69/09/08/1377690908.db2.gz FMIFLFWCHLONIW-UHFFFAOYSA-N 0 0 329.356 3.241 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C2CCC2)cc1 ZINC001138231819 1377691677 /nfs/dbraw/zinc/69/16/77/1377691677.db2.gz PQKVDSNXXQIHBG-UHFFFAOYSA-N 0 0 325.368 3.375 10 5 EGBERN Cc1ncsc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001138264747 1377695260 /nfs/dbraw/zinc/69/52/60/1377695260.db2.gz ZXBMMROWRKLJGN-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN CC(C)N(C)c1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001138753710 1377780523 /nfs/dbraw/zinc/78/05/23/1377780523.db2.gz BGAKRLDAJHHOMK-UHFFFAOYSA-N 0 0 329.356 3.397 10 5 EGBERN Nc1ncc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001140102255 1378007523 /nfs/dbraw/zinc/00/75/23/1378007523.db2.gz GLARJUZZIMBJJQ-DZGCQCFKSA-N 0 0 340.383 3.028 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1ccc2c[nH]nc2c1 ZINC001140568167 1378086889 /nfs/dbraw/zinc/08/68/89/1378086889.db2.gz ZLORKODHUCDAML-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ncc[nH]1 ZINC001140723739 1378124702 /nfs/dbraw/zinc/12/47/02/1378124702.db2.gz OKDSPOCVOFXQRH-UHFFFAOYSA-N 0 0 330.369 3.198 10 5 EGBERN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503241 1378335548 /nfs/dbraw/zinc/33/55/48/1378335548.db2.gz PBTLAEFUXOIKHN-DGCLKSJQSA-N 0 0 342.399 3.035 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc2nsnc21 ZINC001141708201 1378364363 /nfs/dbraw/zinc/36/43/63/1378364363.db2.gz XARMLGFSLYOJKN-UHFFFAOYSA-N 0 0 328.353 3.469 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc2ccccc2o1 ZINC001141734356 1378368632 /nfs/dbraw/zinc/36/86/32/1378368632.db2.gz PGGUEJSZBNGQEV-UHFFFAOYSA-N 0 0 328.299 3.339 10 5 EGBERN CC(C)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001142145720 1378415952 /nfs/dbraw/zinc/41/59/52/1378415952.db2.gz DOPPXLCVRJDWMG-UHFFFAOYSA-N 0 0 343.383 3.142 10 5 EGBERN COc1cc(C(=O)Nc2ccccc2-c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC001143828781 1378650985 /nfs/dbraw/zinc/65/09/85/1378650985.db2.gz MQKNXNDPVJLWGC-UHFFFAOYSA-N 0 0 338.323 3.246 10 5 EGBERN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001146679819 1378895490 /nfs/dbraw/zinc/89/54/90/1378895490.db2.gz WWRGJPFBODPVQB-GDBMZVCRSA-N 0 0 334.416 3.303 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@]4(CC4(F)F)C3)c2c1 ZINC001327687025 1388582383 /nfs/dbraw/zinc/58/23/83/1388582383.db2.gz BOCHDXGDXOLHFT-CYBMUJFWSA-N 0 0 340.717 3.427 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001147740810 1379069968 /nfs/dbraw/zinc/06/99/68/1379069968.db2.gz JZTVZVCJMANYPU-NEPJUHHUSA-N 0 0 340.832 3.287 10 5 EGBERN CC1(C)C[C@]1(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001148894517 1379292988 /nfs/dbraw/zinc/29/29/88/1379292988.db2.gz GXKLUOSVOLBSIH-HNNXBMFYSA-N 0 0 334.763 3.027 10 5 EGBERN CC[C@@H](NC(=O)c1cc(C=O)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001151127930 1379663693 /nfs/dbraw/zinc/66/36/93/1379663693.db2.gz ZVMKPBUSMIASBG-MRXNPFEDSA-N 0 0 342.351 3.297 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cscc1C ZINC001151451600 1379720955 /nfs/dbraw/zinc/72/09/55/1379720955.db2.gz CZDSCZPEPKNZBR-UHFFFAOYSA-N 0 0 337.332 3.315 10 5 EGBERN COc1ccc(NC(=O)C(C)(C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001152085637 1379860556 /nfs/dbraw/zinc/86/05/56/1379860556.db2.gz MVLZUNPPPMXOLM-UHFFFAOYSA-N 0 0 330.340 3.225 10 5 EGBERN Cc1ccc(SC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001154532322 1380298999 /nfs/dbraw/zinc/29/89/99/1380298999.db2.gz SFLPTLMXECYZFZ-LBPRGKRZSA-N 0 0 345.424 3.396 10 5 EGBERN Cc1oc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2c1C ZINC001154714519 1380337560 /nfs/dbraw/zinc/33/75/60/1380337560.db2.gz AWFLKVNQAMYBLY-UHFFFAOYSA-N 0 0 327.296 3.311 10 5 EGBERN CC1(C)C(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1(C)C ZINC001155711455 1380485797 /nfs/dbraw/zinc/48/57/97/1380485797.db2.gz UMWIACQRVIBAPK-UHFFFAOYSA-N 0 0 342.399 3.397 10 5 EGBERN CC(C)(C)Nc1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001155859456 1380499790 /nfs/dbraw/zinc/49/97/90/1380499790.db2.gz ZGFKSMQPJYJNLS-UHFFFAOYSA-N 0 0 329.360 3.035 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1cncc2ccccc21 ZINC001157326745 1380843849 /nfs/dbraw/zinc/84/38/49/1380843849.db2.gz IGWZPQOSQFOHMA-UHFFFAOYSA-N 0 0 349.390 3.387 10 5 EGBERN Cc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c(N)c1[N+](=O)[O-] ZINC001158224078 1381165301 /nfs/dbraw/zinc/16/53/01/1381165301.db2.gz NCFVJPKWHLDMEV-UHFFFAOYSA-N 0 0 347.346 3.421 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001287461867 1381217093 /nfs/dbraw/zinc/21/70/93/1381217093.db2.gz XGMKGPQNBPAGLR-DZGCQCFKSA-N 0 0 348.305 3.168 10 5 EGBERN Cc1csc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001158719939 1381364660 /nfs/dbraw/zinc/36/46/60/1381364660.db2.gz NENVHWQOWLOIQK-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001288215665 1381731223 /nfs/dbraw/zinc/73/12/23/1381731223.db2.gz DGVHWDXUSQETSD-GHMZBOCLSA-N 0 0 333.369 3.111 10 5 EGBERN COc1ncc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001288796882 1381941071 /nfs/dbraw/zinc/94/10/71/1381941071.db2.gz YLBBUFJVXRWIOX-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN O=C(NC[C@H]1CCC=CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001289651149 1382006742 /nfs/dbraw/zinc/00/67/42/1382006742.db2.gz DXXMIJIZXRYSKS-LBPRGKRZSA-N 0 0 332.356 3.190 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](c2ccncc2)C1 ZINC001160386492 1382091196 /nfs/dbraw/zinc/09/11/96/1382091196.db2.gz AXTMFDFWJMUBNC-CYBMUJFWSA-N 0 0 336.351 3.101 10 5 EGBERN Cc1cc2sc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC001160432576 1382102473 /nfs/dbraw/zinc/10/24/73/1382102473.db2.gz VJLRHOZLXZUPCS-UHFFFAOYSA-N 0 0 343.368 3.051 10 5 EGBERN C[C@@H](c1cccnc1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001292409139 1382190882 /nfs/dbraw/zinc/19/08/82/1382190882.db2.gz NRZRMPUOCVQCMW-NSHDSACASA-N 0 0 333.775 3.405 10 5 EGBERN CSCCc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001292746449 1382211419 /nfs/dbraw/zinc/21/14/19/1382211419.db2.gz NIAQXXMHJGWHGD-UHFFFAOYSA-N 0 0 340.792 3.129 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCc1cccc(F)c1 ZINC001293054996 1382251308 /nfs/dbraw/zinc/25/13/08/1382251308.db2.gz RMHSFGGGQOQMRY-UHFFFAOYSA-N 0 0 334.322 3.165 10 5 EGBERN O=C(NC1(C(F)(F)F)CCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001294059232 1382412197 /nfs/dbraw/zinc/41/21/97/1382412197.db2.gz MGOLJVHEQLQIDS-UHFFFAOYSA-N 0 0 327.262 3.291 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001328588222 1388783562 /nfs/dbraw/zinc/78/35/62/1388783562.db2.gz YMOLZUOYSZOPAS-ZSBIGDGJSA-N 0 0 339.342 3.189 10 5 EGBERN Cc1ccc2c(c1Br)CN(c1ncc([N+](=O)[O-])c(C)n1)C2 ZINC001328600982 1388787577 /nfs/dbraw/zinc/78/75/77/1388787577.db2.gz HFAJHJSVJJLONT-UHFFFAOYSA-N 0 0 349.188 3.284 10 5 EGBERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001328634850 1388794232 /nfs/dbraw/zinc/79/42/32/1388794232.db2.gz WKGREUIJGNIJLK-MYBUGEPTSA-N 0 0 336.338 3.248 10 5 EGBERN Cc1cc(N(C)Cc2cnn(Cc3ccccc3)c2)ncc1[N+](=O)[O-] ZINC001162032459 1382609255 /nfs/dbraw/zinc/60/92/55/1382609255.db2.gz PMTBIHVQNGERAO-UHFFFAOYSA-N 0 0 337.383 3.179 10 5 EGBERN O=C(Nc1cccc(CNc2cccnc2[N+](=O)[O-])c1)c1ccco1 ZINC001162119838 1382632616 /nfs/dbraw/zinc/63/26/16/1382632616.db2.gz HSCYTGJBFYXKDG-UHFFFAOYSA-N 0 0 338.323 3.447 10 5 EGBERN O=[N+]([O-])c1cnccc1NCC1(c2ccccc2Br)CC1 ZINC001162591779 1382802214 /nfs/dbraw/zinc/80/22/14/1382802214.db2.gz OIMMXMCELURMTC-UHFFFAOYSA-N 0 0 348.200 3.318 10 5 EGBERN COc1ccccc1C[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC001162717412 1382846243 /nfs/dbraw/zinc/84/62/43/1382846243.db2.gz JQOPYTWZYFQQIT-CQSZACIVSA-N 0 0 330.388 3.381 10 5 EGBERN Cn1cc([N+](=O)[O-])c(Oc2ccc(-n3ncc4ccccc43)cc2)n1 ZINC001162900824 1382909369 /nfs/dbraw/zinc/90/93/69/1382909369.db2.gz ZSIDLWYMNCAGDW-UHFFFAOYSA-N 0 0 335.323 3.460 10 5 EGBERN O=c1nc(Cl)cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001162936750 1382921565 /nfs/dbraw/zinc/92/15/65/1382921565.db2.gz NEHVFEMQBDEKOU-UHFFFAOYSA-N 0 0 329.143 3.052 10 5 EGBERN COc1cc(O)cc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c1 ZINC001296285983 1382949367 /nfs/dbraw/zinc/94/93/67/1382949367.db2.gz OISMEVLCAYDJNC-UHFFFAOYSA-N 0 0 338.266 3.148 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1cccc(Br)n1 ZINC001163266354 1383009095 /nfs/dbraw/zinc/00/90/95/1383009095.db2.gz XDZKDQUIYTXEGQ-UHFFFAOYSA-N 0 0 336.189 3.431 10 5 EGBERN CCOC(=O)c1ccnc(NCC(F)(F)C(C)(C)C)c1[N+](=O)[O-] ZINC001163774164 1383120534 /nfs/dbraw/zinc/12/05/34/1383120534.db2.gz GAFPGHSXZUCNJT-UHFFFAOYSA-N 0 0 331.319 3.260 10 5 EGBERN C[C@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001164169832 1383162451 /nfs/dbraw/zinc/16/24/51/1383162451.db2.gz GPTAJGULLYUCBA-AWEZNQCLSA-N 0 0 336.417 3.455 10 5 EGBERN CCc1nc(CNc2cccc(Br)c2[N+](=O)[O-])c[nH]1 ZINC001164234032 1383169423 /nfs/dbraw/zinc/16/94/23/1383169423.db2.gz GXUUCQNGQXQSDM-UHFFFAOYSA-N 0 0 325.166 3.255 10 5 EGBERN NC(=O)c1ccnc(N2CCC(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001164256073 1383171996 /nfs/dbraw/zinc/17/19/96/1383171996.db2.gz YRKOUQDOWRPUDY-UHFFFAOYSA-N 0 0 346.431 3.276 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001164310506 1383176781 /nfs/dbraw/zinc/17/67/81/1383176781.db2.gz NLUNQRACQSBWRF-NEPJUHHUSA-N 0 0 338.408 3.042 10 5 EGBERN CC(C)Oc1nc(NC[C@@H]2OCc3ccccc32)ccc1[N+](=O)[O-] ZINC001164371657 1383182015 /nfs/dbraw/zinc/18/20/15/1383182015.db2.gz FLBXBYDGSWCFEY-HNNXBMFYSA-N 0 0 329.356 3.460 10 5 EGBERN CSc1cccnc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001164568867 1383199768 /nfs/dbraw/zinc/19/97/68/1383199768.db2.gz JHYYYOQEIRZBLZ-UHFFFAOYSA-N 0 0 342.380 3.374 10 5 EGBERN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001298733964 1383425914 /nfs/dbraw/zinc/42/59/14/1383425914.db2.gz ILGVAPHRKZBIIS-UONOGXRCSA-N 0 0 335.404 3.223 10 5 EGBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298757513 1383426316 /nfs/dbraw/zinc/42/63/16/1383426316.db2.gz HNTWYMDIOCEPTC-RKDXNWHRSA-N 0 0 328.800 3.258 10 5 EGBERN CCC1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC001298815424 1383432893 /nfs/dbraw/zinc/43/28/93/1383432893.db2.gz ARQOTAZZXQUVCT-UHFFFAOYSA-N 0 0 340.807 3.114 10 5 EGBERN O=C(NCc1ccnc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001299331516 1383509532 /nfs/dbraw/zinc/50/95/32/1383509532.db2.gz RPPQHDHDUYBHAV-UHFFFAOYSA-N 0 0 331.715 3.319 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N(C)C)c(Cl)c1 ZINC001299862073 1383632634 /nfs/dbraw/zinc/63/26/34/1383632634.db2.gz DZXWEMAEVMKYCY-UHFFFAOYSA-N 0 0 349.778 3.003 10 5 EGBERN COc1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N)sc21 ZINC001300012220 1383639759 /nfs/dbraw/zinc/63/97/59/1383639759.db2.gz VEUKWFHOCSNKHH-UHFFFAOYSA-N 0 0 344.352 3.048 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC001300328275 1383659093 /nfs/dbraw/zinc/65/90/93/1383659093.db2.gz OTSSZBYUIWLBFE-GHMZBOCLSA-N 0 0 326.299 3.211 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](Cn1cccn1)c1ccccc1 ZINC001167686761 1383709964 /nfs/dbraw/zinc/70/99/64/1383709964.db2.gz XZFYSCAAMZVACB-KRWDZBQOSA-N 0 0 340.358 3.462 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cncc(C(F)F)c1 ZINC001302739492 1383766455 /nfs/dbraw/zinc/76/64/55/1383766455.db2.gz XXRHUUPSBBSOMH-UHFFFAOYSA-N 0 0 337.282 3.335 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC001302770671 1383767770 /nfs/dbraw/zinc/76/77/70/1383767770.db2.gz VIQUISLKRKMYQG-UHFFFAOYSA-N 0 0 332.385 3.245 10 5 EGBERN CCC[C@@H](CC)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529430 1383802910 /nfs/dbraw/zinc/80/29/10/1383802910.db2.gz PLTJZUWCKRIHHC-GFCCVEGCSA-N 0 0 332.404 3.346 10 5 EGBERN CCCCCCN(Cc1ccc(C)o1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001303840430 1383815566 /nfs/dbraw/zinc/81/55/66/1383815566.db2.gz LHKZOSJOORBVBO-UHFFFAOYSA-N 0 0 334.376 3.442 10 5 EGBERN COc1cc(Cl)c(F)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001304075914 1383827773 /nfs/dbraw/zinc/82/77/73/1383827773.db2.gz WLMQSAGWOXSTRW-UHFFFAOYSA-N 0 0 339.710 3.230 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001305236394 1383859087 /nfs/dbraw/zinc/85/90/87/1383859087.db2.gz OUVHOCCAMWQRIG-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN Cc1cc(N(C)C[C@@H]2COc3ccccc3O2)c(F)cc1[N+](=O)[O-] ZINC001306910174 1383919116 /nfs/dbraw/zinc/91/91/16/1383919116.db2.gz AGZUROMFUHLXRB-GFCCVEGCSA-N 0 0 332.331 3.319 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001328827063 1388882986 /nfs/dbraw/zinc/88/29/86/1388882986.db2.gz IVRMOVPBIQQRLN-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN CC(C)c1cnc(Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)n1C1CC1 ZINC001306973471 1383928273 /nfs/dbraw/zinc/92/82/73/1383928273.db2.gz KMMABXUSGPBUMH-UHFFFAOYSA-N 0 0 346.412 3.500 10 5 EGBERN Nc1nc(N(CCc2ccccc2)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001306998695 1383931864 /nfs/dbraw/zinc/93/18/64/1383931864.db2.gz ZVMQFPIKZMECPF-UHFFFAOYSA-N 0 0 349.394 3.216 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001307205091 1383956019 /nfs/dbraw/zinc/95/60/19/1383956019.db2.gz DXPSEVVRRSAGAR-AXFHLTTASA-N 0 0 339.189 3.360 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(n3cccn3)CC2)c(Br)c1 ZINC001307216889 1383958334 /nfs/dbraw/zinc/95/83/34/1383958334.db2.gz AZIYWWROQGJAIA-UHFFFAOYSA-N 0 0 337.177 3.155 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 ZINC001307224525 1383960277 /nfs/dbraw/zinc/96/02/77/1383960277.db2.gz FQNQKWLJGQRZOA-CABCVRRESA-N 0 0 333.388 3.101 10 5 EGBERN Cn1cc([N+](=O)[O-])c(NCc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001307232769 1383962064 /nfs/dbraw/zinc/96/20/64/1383962064.db2.gz NBYBSXYTRFEOBW-UHFFFAOYSA-N 0 0 347.375 3.287 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CCC[C@]2(CCOC2)O1 ZINC001307296869 1383968320 /nfs/dbraw/zinc/96/83/20/1383968320.db2.gz DYVSCNWMQFHFBO-IUODEOHRSA-N 0 0 327.764 3.355 10 5 EGBERN COC(=O)C1(c2ccc(COc3ncc(C)cc3[N+](=O)[O-])cc2)CC1 ZINC001307310485 1383970018 /nfs/dbraw/zinc/97/00/18/1383970018.db2.gz SWRRCCZONOXYMT-UHFFFAOYSA-N 0 0 342.351 3.082 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001307406522 1383983534 /nfs/dbraw/zinc/98/35/34/1383983534.db2.gz BPEWQPKGNJWFQU-RNCFNFMXSA-N 0 0 344.770 3.461 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)N(C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC001307661299 1384009171 /nfs/dbraw/zinc/00/91/71/1384009171.db2.gz PRXLBAVRDBTYOV-OCCSQVGLSA-N 0 0 330.306 3.457 10 5 EGBERN C[C@H](c1ccccn1)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168958102 1384070809 /nfs/dbraw/zinc/07/08/09/1384070809.db2.gz MHEXYPLAZDCCGE-GFCCVEGCSA-N 0 0 339.355 3.233 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001308071910 1384085765 /nfs/dbraw/zinc/08/57/65/1384085765.db2.gz HTOMRIDIPHEQGF-OAHLLOKOSA-N 0 0 349.431 3.330 10 5 EGBERN Cn1c2ccccc2cc(CN2CCc3ccc([N+](=O)[O-])cc32)c1=O ZINC001169024722 1384092296 /nfs/dbraw/zinc/09/22/96/1384092296.db2.gz OOVYWHALYUCRKJ-UHFFFAOYSA-N 0 0 335.363 3.009 10 5 EGBERN CC(=O)c1cccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001310097352 1384212011 /nfs/dbraw/zinc/21/20/11/1384212011.db2.gz RLJONASYZGLSOR-UHFFFAOYSA-N 0 0 327.340 3.428 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313678 1384339184 /nfs/dbraw/zinc/33/91/84/1384339184.db2.gz VOCYRRZQRCMGIO-WQVCFCJDSA-N 0 0 335.404 3.112 10 5 EGBERN Cc1ccc(Cl)cc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001171449367 1384527086 /nfs/dbraw/zinc/52/70/86/1384527086.db2.gz DFUQEYBRQMFYLA-KRWDZBQOSA-N 0 0 348.786 3.194 10 5 EGBERN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001171938434 1384689154 /nfs/dbraw/zinc/68/91/54/1384689154.db2.gz DXGLJYBGWKSTED-QGZVFWFLSA-N 0 0 349.337 3.439 10 5 EGBERN C[C@@H](COc1ccccc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001335960690 1388976793 /nfs/dbraw/zinc/97/67/93/1388976793.db2.gz VNACSUJSOGTFOA-ZDUSSCGKSA-N 0 0 346.358 3.250 10 5 EGBERN CC1(C(=O)NCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC001317554786 1385321157 /nfs/dbraw/zinc/32/11/57/1385321157.db2.gz MOAPLOBSEGVDBV-UHFFFAOYSA-N 0 0 345.443 3.256 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001175586597 1385341204 /nfs/dbraw/zinc/34/12/04/1385341204.db2.gz ILVPSTGDQMIXLM-AWEZNQCLSA-N 0 0 338.379 3.430 10 5 EGBERN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ncccc12 ZINC001176038041 1385468911 /nfs/dbraw/zinc/46/89/11/1385468911.db2.gz ZORBCUDSXWFFJB-RYUDHWBXSA-N 0 0 338.367 3.393 10 5 EGBERN Cc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)cnc1C ZINC001176063498 1385475179 /nfs/dbraw/zinc/47/51/79/1385475179.db2.gz FPQIJBKBTMKATQ-UHFFFAOYSA-N 0 0 338.726 3.234 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1C ZINC001176408850 1385577901 /nfs/dbraw/zinc/57/79/01/1385577901.db2.gz YXEJMZJCJZTYBO-UHFFFAOYSA-N 0 0 345.330 3.388 10 5 EGBERN CNc1c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001179445165 1386483960 /nfs/dbraw/zinc/48/39/60/1386483960.db2.gz RPZASAYBSHWQDK-WKZPIUISSA-N 0 0 329.400 3.145 10 5 EGBERN CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001179527361 1386507115 /nfs/dbraw/zinc/50/71/15/1386507115.db2.gz SHUVASPYNUJXQS-NSHDSACASA-N 0 0 348.790 3.380 10 5 EGBERN CCCc1noc(CCCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)n1 ZINC001181022306 1386917917 /nfs/dbraw/zinc/91/79/17/1386917917.db2.gz RKMKSHUJWRXBBQ-UHFFFAOYSA-N 0 0 332.360 3.200 10 5 EGBERN Cc1ccccc1[C@H](O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001182667949 1387203572 /nfs/dbraw/zinc/20/35/72/1387203572.db2.gz SUCONEDDCGRYQF-OAHLLOKOSA-N 0 0 334.759 3.020 10 5 EGBERN C/C=C(/C)C(=O)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001332693714 1390156845 /nfs/dbraw/zinc/15/68/45/1390156845.db2.gz VRULQNLKCHSIGH-MLPAPPSSSA-N 0 0 339.461 3.291 10 5 EGBERN CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939433 1390895395 /nfs/dbraw/zinc/89/53/95/1390895395.db2.gz QIJYKEJXZJGJKH-HOTGVXAUSA-N 0 0 329.356 3.389 10 5 EGBERN CO[C@]12CCC[C@]1(COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC001346060499 1390904381 /nfs/dbraw/zinc/90/43/81/1390904381.db2.gz PPKFDPAHFSQOCI-XWIAVFTESA-N 0 0 349.383 3.175 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001347431161 1391074755 /nfs/dbraw/zinc/07/47/55/1391074755.db2.gz VGWRAUJNYIXTNJ-SNVBAGLBSA-N 0 0 342.804 3.481 10 5 EGBERN C[C@@H](CNC(=O)CCc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC001347926088 1391147324 /nfs/dbraw/zinc/14/73/24/1391147324.db2.gz KGNCKXGPVDDEAB-ZDUSSCGKSA-N 0 0 328.368 3.153 10 5 EGBERN CC1(C)C[C@@H](COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC001347982965 1391154471 /nfs/dbraw/zinc/15/44/71/1391154471.db2.gz TYCZOJGCSNUCHS-LBPRGKRZSA-N 0 0 346.383 3.367 10 5 EGBERN O=C(Nc1cccc(F)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001347996612 1391156813 /nfs/dbraw/zinc/15/68/13/1391156813.db2.gz MAYAHQDZFSTRSH-UHFFFAOYSA-N 0 0 332.287 3.148 10 5 EGBERN C[C@H](C(=O)N[C@@H]1CCOCC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348112659 1391174830 /nfs/dbraw/zinc/17/48/30/1391174830.db2.gz COBWMLLPSRMKRM-XJKSGUPXSA-N 0 0 332.400 3.164 10 5 EGBERN C[C@]1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001348438578 1391219315 /nfs/dbraw/zinc/21/93/15/1391219315.db2.gz MTVAFVDQVMBHJL-KRWDZBQOSA-N 0 0 330.315 3.413 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001348468272 1391223747 /nfs/dbraw/zinc/22/37/47/1391223747.db2.gz YHDUBMLHPQJYGD-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001348754553 1391261971 /nfs/dbraw/zinc/26/19/71/1391261971.db2.gz NGCYQPDCXBNUFO-VHSXEESVSA-N 0 0 332.278 3.207 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001348764453 1391263857 /nfs/dbraw/zinc/26/38/57/1391263857.db2.gz ILSUZYJDEHFIBT-IAGOWNOFSA-N 0 0 344.342 3.072 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@H](F)C1 ZINC001348982894 1391292186 /nfs/dbraw/zinc/29/21/86/1391292186.db2.gz NAEHZTQBXISHHF-RYUDHWBXSA-N 0 0 349.318 3.216 10 5 EGBERN C[C@@H]1CC=CC[C@H]1COC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001349497741 1391335899 /nfs/dbraw/zinc/33/58/99/1391335899.db2.gz HURIRGHTEYYANS-IIYDPXPESA-N 0 0 344.367 3.233 10 5 EGBERN COc1cccc(COC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001349620853 1391345663 /nfs/dbraw/zinc/34/56/63/1391345663.db2.gz GNPIWJZLRNLZMV-SJORKVTESA-N 0 0 327.336 3.450 10 5 EGBERN Cc1c(NC(=O)[C@@H]2COc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC001349899551 1391383024 /nfs/dbraw/zinc/38/30/24/1391383024.db2.gz OZUWZKOZSWXOER-LBPRGKRZSA-N 0 0 330.315 3.232 10 5 EGBERN C[C@H](Cc1ccno1)OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001350289300 1391441714 /nfs/dbraw/zinc/44/17/14/1391441714.db2.gz UISMWASYBYEFCR-SNVBAGLBSA-N 0 0 338.747 3.343 10 5 EGBERN Cc1c(C(=O)OC[C@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC001350353316 1391452060 /nfs/dbraw/zinc/45/20/60/1391452060.db2.gz KYPRQPXUXARNOS-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc2c(cc1Cl)NC(=O)C2 ZINC001350389991 1391457605 /nfs/dbraw/zinc/45/76/05/1391457605.db2.gz XKVONKOIHZEIRG-UHFFFAOYSA-N 0 0 349.705 3.134 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@@H]2Cc3cccc(C)c3O2)c([N+](=O)[O-])c1 ZINC001350586101 1391484587 /nfs/dbraw/zinc/48/45/87/1391484587.db2.gz GFNJEGPYABDVIW-HNNXBMFYSA-N 0 0 327.336 3.429 10 5 EGBERN COc1ccc2onc(CC(=O)Oc3cc([N+](=O)[O-])ccc3C)c2c1 ZINC001350614073 1391490389 /nfs/dbraw/zinc/49/03/89/1391490389.db2.gz DZCBITHIICNKPL-UHFFFAOYSA-N 0 0 342.307 3.201 10 5 EGBERN Cc1ccc(F)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001351592280 1391654800 /nfs/dbraw/zinc/65/48/00/1391654800.db2.gz BKZJYJFFNUPFMG-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN CN(C(=O)c1ccnc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001351682204 1391670125 /nfs/dbraw/zinc/67/01/25/1391670125.db2.gz DHYZANHFJHBHRQ-UHFFFAOYSA-N 0 0 334.335 3.328 10 5 EGBERN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001351681966 1391670265 /nfs/dbraw/zinc/67/02/65/1391670265.db2.gz BVURMAXCKARYAK-HZPDHXFCSA-N 0 0 341.323 3.270 10 5 EGBERN O=C(Nc1nccc(-c2ccccc2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001351864388 1391704092 /nfs/dbraw/zinc/70/40/92/1391704092.db2.gz TWGOLWMSGKIFAH-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN O=C(C[C@@H]1OCc2ccccc21)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353336280 1391991645 /nfs/dbraw/zinc/99/16/45/1391991645.db2.gz BECBIESGRDZLQL-HNNXBMFYSA-N 0 0 334.278 3.473 10 5 EGBERN C[C@@H](Cc1ccco1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001353640853 1392057550 /nfs/dbraw/zinc/05/75/50/1392057550.db2.gz CNXUBGGJOPCQQG-NSHDSACASA-N 0 0 339.351 3.284 10 5 EGBERN Cc1ccc(C)c(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1 ZINC001353894013 1392106238 /nfs/dbraw/zinc/10/62/38/1392106238.db2.gz RVTQGCJTSPRDID-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc(NC(=O)c2nsc3ccccc32)c([N+](=O)[O-])c1 ZINC001355055009 1392189807 /nfs/dbraw/zinc/18/98/07/1392189807.db2.gz BYTUDNAXHBYERV-UHFFFAOYSA-N 0 0 329.337 3.465 10 5 EGBERN C[C@@H](CNC(=O)NCc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC001687570124 1396411948 /nfs/dbraw/zinc/41/19/48/1396411948.db2.gz GQJUYVKXVMOJGE-NSHDSACASA-N 0 0 344.371 3.063 10 5 EGBERN CC(C)[C@H]1CC[C@H](C(=O)NCCN(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001690212635 1404419634 /nfs/dbraw/zinc/41/96/34/1404419634.db2.gz DDMMSOOIYJBHBV-SHTZXODSSA-N 0 0 348.447 3.005 10 5 EGBERN C[C@@H]1C[C@H]1n1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001693584747 1406027201 /nfs/dbraw/zinc/02/72/01/1406027201.db2.gz HNRZKNOYAHLMCR-MLGOLLRUSA-N 0 0 341.415 3.324 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693605208 1406028762 /nfs/dbraw/zinc/02/87/62/1406028762.db2.gz YTUZURVHFNQDSA-GXTWGEPZSA-N 0 0 327.388 3.110 10 5 EGBERN CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC001695191395 1406083372 /nfs/dbraw/zinc/08/33/72/1406083372.db2.gz NQRXRQVFARMJHW-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CN(CCNC(=O)CC1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714534476 1419260503 /nfs/dbraw/zinc/26/05/03/1419260503.db2.gz HBFXTYPOBALOHO-UHFFFAOYSA-N 0 0 333.432 3.113 10 5 EGBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC)C(C)C ZINC001728292684 1427144571 /nfs/dbraw/zinc/14/45/71/1427144571.db2.gz VQEBQIDACXDXIA-UHFFFAOYSA-N 0 0 347.419 3.125 10 5 EGBERN CC/C=C/Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001745076612 1439726379 /nfs/dbraw/zinc/72/63/79/1439726379.db2.gz UKDACDSYFJFIGH-AATRIKPKSA-N 0 0 329.404 3.140 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1C[C@@H]1C ZINC001751887495 1440125553 /nfs/dbraw/zinc/12/55/53/1440125553.db2.gz JVEWKRVSXSRFHF-SWLSCSKDSA-N 0 0 341.415 3.320 10 5 EGBERN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1[C@@H]1C[C@@H]1C ZINC001762529157 1441376334 /nfs/dbraw/zinc/37/63/34/1441376334.db2.gz IGHQLEWEBBDVEB-MEDUHNTESA-N 0 0 327.388 3.245 10 5 EGBERN CCCn1c(C(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001766034849 1441399752 /nfs/dbraw/zinc/39/97/52/1441399752.db2.gz AMILXQPDCYGDBV-UHFFFAOYSA-N 0 0 331.420 3.399 10 5 EGBERN CCc1ccc(C(=O)CCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000053857719 214202263 /nfs/dbraw/zinc/20/22/63/214202263.db2.gz YHYWQMZQQIXUMM-UHFFFAOYSA-N 0 0 340.379 3.437 10 5 EGBERN CC[C@H](NC(=O)NCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181837482 529505970 /nfs/dbraw/zinc/50/59/70/529505970.db2.gz ICKWGLVGYXZYJT-HOTGVXAUSA-N 0 0 335.404 3.304 10 5 EGBERN Cc1nn(CC(=O)N(c2ccccc2C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000065609931 214979686 /nfs/dbraw/zinc/97/96/86/214979686.db2.gz JHKVXOAPBFITGR-UHFFFAOYSA-N 0 0 330.388 3.158 10 5 EGBERN O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372477098 304007274 /nfs/dbraw/zinc/00/72/74/304007274.db2.gz ACLFEJRKVHYMHX-UHFFFAOYSA-N 0 0 339.351 3.031 10 5 EGBERN Cc1ccccc1-n1nnnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000002622736 209875775 /nfs/dbraw/zinc/87/57/75/209875775.db2.gz JCJMVIFYBYUFCV-UHFFFAOYSA-N 0 0 327.369 3.171 10 5 EGBERN CC(C)CN(CC(C)C)c1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040613963 213358482 /nfs/dbraw/zinc/35/84/82/213358482.db2.gz MWSJXKYBQYEXIE-UHFFFAOYSA-N 0 0 338.456 3.218 10 5 EGBERN Cc1ccc(Cl)cc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040593081 213357167 /nfs/dbraw/zinc/35/71/67/213357167.db2.gz MMULFNJAVDBXNM-UHFFFAOYSA-N 0 0 330.735 3.276 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000069384164 215395460 /nfs/dbraw/zinc/39/54/60/215395460.db2.gz HQCRAGAMAMKOLH-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN Cc1sc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181176035 234106842 /nfs/dbraw/zinc/10/68/42/234106842.db2.gz CDPYLMSIKDUHTD-AWEZNQCLSA-N 0 0 346.408 3.048 10 5 EGBERN CCCN(CC1CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037975672 213179216 /nfs/dbraw/zinc/17/92/16/213179216.db2.gz BESHMVIBJYZTKX-UHFFFAOYSA-N 0 0 332.809 3.059 10 5 EGBERN CC1(C)Cc2cccc(OCCNc3ccc([N+](=O)[O-])cn3)c2O1 ZINC000032825090 212851441 /nfs/dbraw/zinc/85/14/41/212851441.db2.gz XTWPWFGZHMBCLQ-UHFFFAOYSA-N 0 0 329.356 3.194 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3ccsc32)c([N+](=O)[O-])c1 ZINC000032853461 212856762 /nfs/dbraw/zinc/85/67/62/212856762.db2.gz FVLOVHCRCKYUMB-UHFFFAOYSA-N 0 0 331.309 3.178 10 5 EGBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075182484 216595597 /nfs/dbraw/zinc/59/55/97/216595597.db2.gz DXAMJRKBFNUGRS-AAEUAGOBSA-N 0 0 349.387 3.227 10 5 EGBERN Cc1c(NS(=O)(=O)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000358832094 241880129 /nfs/dbraw/zinc/88/01/29/241880129.db2.gz SQMONRFRTBIVSE-UHFFFAOYSA-N 0 0 349.393 3.314 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2csc(N3CCCC3)n2)n1 ZINC000359099954 241898725 /nfs/dbraw/zinc/89/87/25/241898725.db2.gz VWCXVNAXVYRDHK-UHFFFAOYSA-N 0 0 347.444 3.318 10 5 EGBERN Cc1c(CNC(=O)N[C@@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000359257375 241902943 /nfs/dbraw/zinc/90/29/43/241902943.db2.gz ZSIFWWLEPJRVNI-QGZVFWFLSA-N 0 0 340.383 3.249 10 5 EGBERN CCC(=O)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000021125739 212209874 /nfs/dbraw/zinc/20/98/74/212209874.db2.gz YBNUYVWRMPAHBR-UHFFFAOYSA-N 0 0 344.323 3.171 10 5 EGBERN CC(=O)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000021025208 212201040 /nfs/dbraw/zinc/20/10/40/212201040.db2.gz XPVVGRFJAZTTSR-UHFFFAOYSA-N 0 0 334.715 3.426 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2c1COc1ccccc1-2 ZINC000021018437 212200411 /nfs/dbraw/zinc/20/04/11/212200411.db2.gz UFDRRPWLJJDSNB-UHFFFAOYSA-N 0 0 336.307 3.130 10 5 EGBERN O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000344636093 284047528 /nfs/dbraw/zinc/04/75/28/284047528.db2.gz VQEQDWFLPSSCCZ-MRVPVSSYSA-N 0 0 325.777 3.445 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCc2cccnc21 ZINC000193934191 284283810 /nfs/dbraw/zinc/28/38/10/284283810.db2.gz NMWNCYLMGGDIQE-SNVBAGLBSA-N 0 0 333.294 3.327 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@]2(C1)CCCOC2 ZINC000375352490 284625896 /nfs/dbraw/zinc/62/58/96/284625896.db2.gz IJIMDKSWWSCQDZ-QGZVFWFLSA-N 0 0 346.408 3.452 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377223047 168998845 /nfs/dbraw/zinc/99/88/45/168998845.db2.gz JBBMWPGHWJHBFG-INIZCTEOSA-N 0 0 339.395 3.393 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](C3CCCCC3)C2)c(Cl)c1 ZINC000408196979 169164710 /nfs/dbraw/zinc/16/47/10/169164710.db2.gz GLHSYCXFNWBHSG-CQSZACIVSA-N 0 0 325.796 3.429 10 5 EGBERN O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000009689670 211115584 /nfs/dbraw/zinc/11/55/84/211115584.db2.gz MGJKILJKZWUNTM-UHFFFAOYSA-N 0 0 340.257 3.423 10 5 EGBERN Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181313 210766570 /nfs/dbraw/zinc/76/65/70/210766570.db2.gz IFEUVQXLKQSAHS-KRWDZBQOSA-N 0 0 326.352 3.302 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000006652129 210670303 /nfs/dbraw/zinc/67/03/03/210670303.db2.gz VKICYODLOQYTKR-UHFFFAOYSA-N 0 0 348.714 3.327 10 5 EGBERN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000005971347 210569417 /nfs/dbraw/zinc/56/94/17/210569417.db2.gz DBQCJFXVWMUMGI-LLVKDONJSA-N 0 0 325.324 3.430 10 5 EGBERN CC[C@H](NC(=O)NCC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000267790461 251349477 /nfs/dbraw/zinc/34/94/77/251349477.db2.gz FYRXKBGIHZQBOV-HNNXBMFYSA-N 0 0 335.404 3.162 10 5 EGBERN O=[N+]([O-])c1c(Br)ccc(Br)c1[N+](=O)[O-] ZINC000005943778 285076447 /nfs/dbraw/zinc/07/64/47/285076447.db2.gz JKATVFUXWHHCFA-UHFFFAOYSA-N 0 0 325.900 3.028 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCc3ncccc3C2)c(Br)c1 ZINC000371008172 285132052 /nfs/dbraw/zinc/13/20/52/285132052.db2.gz XILRPNROEBUQJJ-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2cc[nH]n2)CC1 ZINC000365213987 285170850 /nfs/dbraw/zinc/17/08/50/285170850.db2.gz AHDGZAQKZBZWEB-UHFFFAOYSA-N 0 0 341.293 3.116 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120221190 221516728 /nfs/dbraw/zinc/51/67/28/221516728.db2.gz LLWXNYHJELGLSD-KSSFIOAISA-N 0 0 347.415 3.371 10 5 EGBERN Cc1sc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000155752131 224465010 /nfs/dbraw/zinc/46/50/10/224465010.db2.gz BPAUXBKAJFBBDV-HNNXBMFYSA-N 0 0 346.408 3.208 10 5 EGBERN Cc1ccc(-c2nn3c([nH]c2=O)c2ccccc2nc3=S)cc1C ZINC000032937940 258059021 /nfs/dbraw/zinc/05/90/21/258059021.db2.gz QQXBOBJJWZKMOA-UHFFFAOYSA-N 0 0 334.404 3.210 10 5 EGBERN Cc1nc(Oc2ccc(OCc3cnn(C)c3)cc2)ccc1[N+](=O)[O-] ZINC000095414915 258067058 /nfs/dbraw/zinc/06/70/58/258067058.db2.gz DUGWDTBGWUJITA-UHFFFAOYSA-N 0 0 340.339 3.403 10 5 EGBERN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)NC3=O)cc1 ZINC000004928963 292031105 /nfs/dbraw/zinc/03/11/05/292031105.db2.gz BFDLSYOWQBIKPA-HNNXBMFYSA-N 0 0 334.335 3.126 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000338099073 141093443 /nfs/dbraw/zinc/09/34/43/141093443.db2.gz OSKQRSSCRGRUHJ-INIZCTEOSA-N 0 0 344.342 3.089 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000339559497 141130976 /nfs/dbraw/zinc/13/09/76/141130976.db2.gz WFGKAORFYVOIDP-OIRASMEMSA-N 0 0 346.408 3.132 10 5 EGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000342840218 141152127 /nfs/dbraw/zinc/15/21/27/141152127.db2.gz LHSLXFUQLFPRJD-JTQLQIEISA-N 0 0 347.346 3.124 10 5 EGBERN CCOc1ccc(C(=O)Nc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000344477703 141161187 /nfs/dbraw/zinc/16/11/87/141161187.db2.gz ZVCLMBPWXUAZGQ-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)ccnc1-c1ccccc1 ZINC000350766381 141265739 /nfs/dbraw/zinc/26/57/39/141265739.db2.gz BCZGCVPNELAJAZ-UHFFFAOYSA-N 0 0 334.335 3.491 10 5 EGBERN CCOCc1nc([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)no1 ZINC000356292381 141337425 /nfs/dbraw/zinc/33/74/25/141337425.db2.gz JNHOHYKRVQJKDR-GFCCVEGCSA-N 0 0 348.403 3.489 10 5 EGBERN CSc1cccc(C(=O)Nc2n[nH]c3cc(F)ccc32)c1[N+](=O)[O-] ZINC000356840351 141352572 /nfs/dbraw/zinc/35/25/72/141352572.db2.gz OFDFNOIKLNQFBA-UHFFFAOYSA-N 0 0 346.343 3.006 10 5 EGBERN Cc1nn(C)c(-c2nc([C@@H](C)c3c(F)cccc3F)no2)c1[N+](=O)[O-] ZINC000356852298 141354701 /nfs/dbraw/zinc/35/47/01/141354701.db2.gz WPCSGNFQEHUAIY-ZETCQYMHSA-N 0 0 349.297 3.117 10 5 EGBERN Cc1c(COC(C)(C)C)cccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357915451 141357550 /nfs/dbraw/zinc/35/75/50/141357550.db2.gz ULRNGSLZHHGMKK-UHFFFAOYSA-N 0 0 346.387 3.204 10 5 EGBERN O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366565547 141513695 /nfs/dbraw/zinc/51/36/95/141513695.db2.gz GPAZXVHCGZEFBP-OCCSQVGLSA-N 0 0 329.331 3.195 10 5 EGBERN CCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000106252775 143933813 /nfs/dbraw/zinc/93/38/13/143933813.db2.gz PYMOQCWCSVDNHI-UHFFFAOYSA-N 0 0 333.319 3.454 10 5 EGBERN COC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000171551566 144006265 /nfs/dbraw/zinc/00/62/65/144006265.db2.gz BJFWWOUVLNTRFR-UHFFFAOYSA-N 0 0 342.351 3.261 10 5 EGBERN Cc1cc(S(=O)(=O)N[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000172015343 144015195 /nfs/dbraw/zinc/01/51/95/144015195.db2.gz PTTPTNSMGOIRGF-SNVBAGLBSA-N 0 0 326.399 3.004 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000172955553 144031978 /nfs/dbraw/zinc/03/19/78/144031978.db2.gz DGTOBXKZGWMNCE-CQSZACIVSA-N 0 0 328.368 3.238 10 5 EGBERN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175048704 144056637 /nfs/dbraw/zinc/05/66/37/144056637.db2.gz AXVWTUYFONEZHE-FZMZJTMJSA-N 0 0 339.417 3.399 10 5 EGBERN COc1cc(CN[C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000184300582 144090950 /nfs/dbraw/zinc/09/09/50/144090950.db2.gz AGHPGYPNCSZDRH-JTQLQIEISA-N 0 0 348.330 3.322 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000186747284 144142397 /nfs/dbraw/zinc/14/23/97/144142397.db2.gz WIDGTJSSLAAOMN-NSHDSACASA-N 0 0 337.335 3.340 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187296968 144156748 /nfs/dbraw/zinc/15/67/48/144156748.db2.gz IZLFRYFILIKDQM-UHFFFAOYSA-N 0 0 326.327 3.422 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)CN(C)C(=O)N2 ZINC000187467263 144159291 /nfs/dbraw/zinc/15/92/91/144159291.db2.gz AJVVHTLCCAQBJQ-UHFFFAOYSA-N 0 0 326.356 3.493 10 5 EGBERN CSc1cccc(C(=O)NCc2nccn2CC(C)C)c1[N+](=O)[O-] ZINC000188173118 144169728 /nfs/dbraw/zinc/16/97/28/144169728.db2.gz FVWXSVOFNUWLCQ-UHFFFAOYSA-N 0 0 348.428 3.099 10 5 EGBERN CCSc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000344921334 144242873 /nfs/dbraw/zinc/24/28/73/144242873.db2.gz NIBNCSAZDAKXKT-UHFFFAOYSA-N 0 0 342.380 3.257 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000351604910 144286835 /nfs/dbraw/zinc/28/68/35/144286835.db2.gz FVSYRDJILQFGBS-RYUDHWBXSA-N 0 0 337.351 3.014 10 5 EGBERN Cc1ccsc1[C@@H](CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000351819806 144311502 /nfs/dbraw/zinc/31/15/02/144311502.db2.gz BSOKOOVTLIBRBP-CYBMUJFWSA-N 0 0 328.340 3.066 10 5 EGBERN O=[N+]([O-])c1ccc(NCCNc2cccc(Br)c2)cn1 ZINC000351875233 144319202 /nfs/dbraw/zinc/31/92/02/144319202.db2.gz IPHGBMLWGFDJJJ-UHFFFAOYSA-N 0 0 337.177 3.276 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000363873110 144372946 /nfs/dbraw/zinc/37/29/46/144372946.db2.gz QIFYKIDQAZZAAK-CJNGLKHVSA-N 0 0 325.368 3.256 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000363875444 144372954 /nfs/dbraw/zinc/37/29/54/144372954.db2.gz ZOUCRNJSQQYODP-LBPRGKRZSA-N 0 0 331.759 3.273 10 5 EGBERN Cc1noc(C2CCC(Nc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)n1 ZINC000373047344 144490666 /nfs/dbraw/zinc/49/06/66/144490666.db2.gz QTMIGJPFDDRMES-UHFFFAOYSA-N 0 0 343.387 3.393 10 5 EGBERN Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000373451828 144508037 /nfs/dbraw/zinc/50/80/37/144508037.db2.gz DZTUKGLXANJULQ-SFHVURJKSA-N 0 0 348.362 3.213 10 5 EGBERN CCc1noc2ncc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000341299193 155233524 /nfs/dbraw/zinc/23/35/24/155233524.db2.gz WPQGKWZHLQJJGF-SNVBAGLBSA-N 0 0 340.339 3.184 10 5 EGBERN COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000341406567 155274688 /nfs/dbraw/zinc/27/46/88/155274688.db2.gz PTUCWWJBUHAQDL-MRXNPFEDSA-N 0 0 342.351 3.165 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCC2=O)cc1 ZINC000341476404 155312766 /nfs/dbraw/zinc/31/27/66/155312766.db2.gz GQSNWDHTNHJUNJ-UHFFFAOYSA-N 0 0 341.367 3.342 10 5 EGBERN COc1ccc(C[C@@H](C)Nc2nccc(C)c2[N+](=O)[O-])cc1OC ZINC000115518037 152015236 /nfs/dbraw/zinc/01/52/36/152015236.db2.gz DLDSQUVSHPLYBR-GFCCVEGCSA-N 0 0 331.372 3.359 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116355688 152057262 /nfs/dbraw/zinc/05/72/62/152057262.db2.gz OAJOHLPPCHWNOD-CYBMUJFWSA-N 0 0 336.369 3.022 10 5 EGBERN O=C(C[C@@H]1CCOc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000117585630 152105243 /nfs/dbraw/zinc/10/52/43/152105243.db2.gz PYDHFZXIDXTBEG-ZDUSSCGKSA-N 0 0 338.363 3.440 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000117720850 152111141 /nfs/dbraw/zinc/11/11/41/152111141.db2.gz SZGWUDYIRQYTDZ-UHFFFAOYSA-N 0 0 344.392 3.351 10 5 EGBERN O=C(NCc1ccccc1OC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000118265309 152133575 /nfs/dbraw/zinc/13/35/75/152133575.db2.gz WUUZQOSTRYCZIH-UHFFFAOYSA-N 0 0 326.352 3.456 10 5 EGBERN COCc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000119871104 152234595 /nfs/dbraw/zinc/23/45/95/152234595.db2.gz UGLIVKJUXVSMSQ-UHFFFAOYSA-N 0 0 339.351 3.153 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174540414 152867009 /nfs/dbraw/zinc/86/70/09/152867009.db2.gz BWJZYZMLQLXCJI-KRWDZBQOSA-N 0 0 332.400 3.088 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2SCC)cc1[N+](=O)[O-] ZINC000178074128 152976609 /nfs/dbraw/zinc/97/66/09/152976609.db2.gz PALRSVGWSIUDOK-WFASDCNBSA-N 0 0 338.429 3.398 10 5 EGBERN Cc1c(F)cc(S(=O)(=O)N(CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000186277802 153003492 /nfs/dbraw/zinc/00/34/92/153003492.db2.gz ZDXUMRIBYYIWAX-UHFFFAOYSA-N 0 0 332.397 3.097 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000188509765 153018971 /nfs/dbraw/zinc/01/89/71/153018971.db2.gz YFWPFLBBKCRDTR-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000188661869 153027708 /nfs/dbraw/zinc/02/77/08/153027708.db2.gz CWSRKGYKYJGOIU-UHFFFAOYSA-N 0 0 331.372 3.062 10 5 EGBERN CC1(C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000189188329 153055574 /nfs/dbraw/zinc/05/55/74/153055574.db2.gz YYBZPJCTLJHWPF-UHFFFAOYSA-N 0 0 332.400 3.088 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189580857 153080577 /nfs/dbraw/zinc/08/05/77/153080577.db2.gz SQKHPFQQZNPDIV-OAHLLOKOSA-N 0 0 342.351 3.165 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189951597 153108641 /nfs/dbraw/zinc/10/86/41/153108641.db2.gz XVEPYZGMSQLQRB-HNNXBMFYSA-N 0 0 342.351 3.165 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000194237432 153326153 /nfs/dbraw/zinc/32/61/53/153326153.db2.gz IHNGMOXIQKAMOZ-UHFFFAOYSA-N 0 0 346.358 3.204 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-n1cccn1 ZINC000194839401 153360623 /nfs/dbraw/zinc/36/06/23/153360623.db2.gz KIINULBWMSYUJA-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3c(C)cccc3[N+](=O)[O-])CCO2)o1 ZINC000194953676 153366506 /nfs/dbraw/zinc/36/65/06/153366506.db2.gz CSJGLMNTUYZDIE-OAHLLOKOSA-N 0 0 330.340 3.018 10 5 EGBERN NC(=O)c1ccc(CSc2ccc(N)cc2Cl)c([N+](=O)[O-])c1 ZINC000314209451 154155406 /nfs/dbraw/zinc/15/54/06/154155406.db2.gz BCDXQJZMQSGITI-UHFFFAOYSA-N 0 0 337.788 3.222 10 5 EGBERN O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccccc2)c(F)c1 ZINC000324275506 154174232 /nfs/dbraw/zinc/17/42/32/154174232.db2.gz OTFJHIWALHJMKL-UHFFFAOYSA-N 0 0 331.332 3.002 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3C(F)F)o2)cc1 ZINC000337395141 154331869 /nfs/dbraw/zinc/33/18/69/154331869.db2.gz ITAAAJODKGASMH-LBPRGKRZSA-N 0 0 338.314 3.264 10 5 EGBERN Cc1cnc(CNc2cc(Br)cc([N+](=O)[O-])c2C)nc1 ZINC000345438125 156104594 /nfs/dbraw/zinc/10/45/94/156104594.db2.gz VHLZMOTXVJLOCC-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN CCOc1ccc(C(=O)Nc2cnc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000349056288 156335864 /nfs/dbraw/zinc/33/58/64/156335864.db2.gz UCXPVKMZBLJEHF-UHFFFAOYSA-N 0 0 344.371 3.234 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349075343 156344158 /nfs/dbraw/zinc/34/41/58/156344158.db2.gz BECMAYLMBWSNLZ-MRXNPFEDSA-N 0 0 331.347 3.440 10 5 EGBERN CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000349076851 156344509 /nfs/dbraw/zinc/34/45/09/156344509.db2.gz DNVUJZIPZPSYGX-HNNXBMFYSA-N 0 0 348.424 3.376 10 5 EGBERN COC[C@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000362200607 157071710 /nfs/dbraw/zinc/07/17/10/157071710.db2.gz DSDRWTPJXBMIDW-ZDUSSCGKSA-N 0 0 346.261 3.038 10 5 EGBERN O=C(N[C@H]1COc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000058729211 161539195 /nfs/dbraw/zinc/53/91/95/161539195.db2.gz HEIGSOUKDBFMCE-HNNXBMFYSA-N 0 0 339.351 3.033 10 5 EGBERN COc1cc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110451239 162127796 /nfs/dbraw/zinc/12/77/96/162127796.db2.gz NFYIURIBJFJJGF-CABCVRRESA-N 0 0 326.352 3.137 10 5 EGBERN Cc1c(CN2CCO[C@@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126758011 162311545 /nfs/dbraw/zinc/31/15/45/162311545.db2.gz ICBWRQUSAZZFFJ-GOSISDBHSA-N 0 0 328.368 3.182 10 5 EGBERN Cc1cc([C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000134818253 162501909 /nfs/dbraw/zinc/50/19/09/162501909.db2.gz AZDHUYAMFKOQMB-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000180973220 162767701 /nfs/dbraw/zinc/76/77/01/162767701.db2.gz JWLUPBSVSKTDCE-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN CNC(=O)c1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000337230820 163171594 /nfs/dbraw/zinc/17/15/94/163171594.db2.gz TWFZLSSNBFAJTC-UHFFFAOYSA-N 0 0 347.758 3.169 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000338684007 163317803 /nfs/dbraw/zinc/31/78/03/163317803.db2.gz XSCLBZUVOACDLU-GFCCVEGCSA-N 0 0 339.355 3.357 10 5 EGBERN CC[C@H]1Oc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])nc3)ccc2NC1=O ZINC000342438873 163879905 /nfs/dbraw/zinc/87/99/05/163879905.db2.gz QCGCXSJOMGHKEC-QMTHXVAHSA-N 0 0 342.355 3.272 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000342719492 163949643 /nfs/dbraw/zinc/94/96/43/163949643.db2.gz DXMQWXJFYMXFQE-CQSZACIVSA-N 0 0 342.355 3.043 10 5 EGBERN Cc1nn([C@H]2CCCN(c3ccc(F)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000343819783 164042998 /nfs/dbraw/zinc/04/29/98/164042998.db2.gz NTFFIHQFXMLTHI-HNNXBMFYSA-N 0 0 346.362 3.224 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000344286532 164146988 /nfs/dbraw/zinc/14/69/88/164146988.db2.gz ORAXHAUCVXWFIS-UHFFFAOYSA-N 0 0 347.331 3.141 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000344431760 164177283 /nfs/dbraw/zinc/17/72/83/164177283.db2.gz LEFIMUIMYNLHPQ-UHFFFAOYSA-N 0 0 331.719 3.305 10 5 EGBERN C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ncccc1F ZINC000345771621 164262792 /nfs/dbraw/zinc/26/27/92/164262792.db2.gz FYTUGEORMQKXSI-NSHDSACASA-N 0 0 331.347 3.284 10 5 EGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(C(F)(F)F)on1 ZINC000345977561 164307729 /nfs/dbraw/zinc/30/77/29/164307729.db2.gz CPEFJNJQOYWQEP-UHFFFAOYSA-N 0 0 349.290 3.328 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000354870325 166052090 /nfs/dbraw/zinc/05/20/90/166052090.db2.gz UBHUNLROEIGBKC-VIFPVBQESA-N 0 0 335.335 3.013 10 5 EGBERN COc1cc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)cc([N+](=O)[O-])c1C ZINC000347231071 164464544 /nfs/dbraw/zinc/46/45/44/164464544.db2.gz XOQCIIWSZAHZIE-JOYOIKCWSA-N 0 0 333.344 3.102 10 5 EGBERN CCc1noc(C)c1-c1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000347256432 164468903 /nfs/dbraw/zinc/46/89/03/164468903.db2.gz UZBFYCFCLMHYME-UHFFFAOYSA-N 0 0 330.300 3.179 10 5 EGBERN CO[C@](C)(c1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1)C1CC1 ZINC000350456441 165056340 /nfs/dbraw/zinc/05/63/40/165056340.db2.gz SUAPUNLEOUPXME-INIZCTEOSA-N 0 0 333.344 3.137 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC2(CC2)c2ccccc21 ZINC000351611498 165103550 /nfs/dbraw/zinc/10/35/50/165103550.db2.gz QXMXCKQAESVBOX-UHFFFAOYSA-N 0 0 337.379 3.475 10 5 EGBERN O=C(N[C@@H]1CC2CCC1CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000351687000 165133464 /nfs/dbraw/zinc/13/34/64/165133464.db2.gz AOZUUYOVZOYZTN-QWQCLYJRSA-N 0 0 340.383 3.089 10 5 EGBERN C[C@H]1CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351958776 165168238 /nfs/dbraw/zinc/16/82/38/165168238.db2.gz XQMQCEIRQXLOGJ-CPCISQLKSA-N 0 0 328.166 3.277 10 5 EGBERN COc1cc(CNc2ccc(C(=O)NC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000352041300 165204970 /nfs/dbraw/zinc/20/49/70/165204970.db2.gz WOTKNACDJRPFKW-UHFFFAOYSA-N 0 0 343.383 3.354 10 5 EGBERN CSCCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352153741 165261893 /nfs/dbraw/zinc/26/18/93/165261893.db2.gz OVWSVKCJAJCQCD-UHFFFAOYSA-N 0 0 345.852 3.233 10 5 EGBERN Cc1c(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000355182668 166125356 /nfs/dbraw/zinc/12/53/56/166125356.db2.gz DTEOQPNEXCBYJZ-ZYHUDNBSSA-N 0 0 330.306 3.498 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCn2nccc21 ZINC000355497416 166221871 /nfs/dbraw/zinc/22/18/71/166221871.db2.gz SROLFHRRQSHAKW-UHFFFAOYSA-N 0 0 346.412 3.344 10 5 EGBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(-c3cccnc3)on2)n1 ZINC000355670260 166279430 /nfs/dbraw/zinc/27/94/30/166279430.db2.gz LHKFJBCFEMGMAF-UHFFFAOYSA-N 0 0 349.306 3.286 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000355941948 166354842 /nfs/dbraw/zinc/35/48/42/166354842.db2.gz NSALOOQUPWAPAP-HZSPNIEDSA-N 0 0 342.399 3.287 10 5 EGBERN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1Cc2ccccc21 ZINC000355955555 166358527 /nfs/dbraw/zinc/35/85/27/166358527.db2.gz OCOIKGQEGRAWDG-GOSISDBHSA-N 0 0 333.347 3.367 10 5 EGBERN Cc1nn(C)c(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c1[N+](=O)[O-] ZINC000356527116 166441653 /nfs/dbraw/zinc/44/16/53/166441653.db2.gz PGIYQOCZZSXANH-JTQLQIEISA-N 0 0 327.344 3.147 10 5 EGBERN C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H]1C ZINC000357532829 166703958 /nfs/dbraw/zinc/70/39/58/166703958.db2.gz HWPFQBUTUSQRRD-IUCAKERBSA-N 0 0 332.278 3.016 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccc3cc[nH]c3n2)c(Br)c1 ZINC000357545531 166707644 /nfs/dbraw/zinc/70/76/44/166707644.db2.gz HUPAHVHRSUGWPJ-UHFFFAOYSA-N 0 0 348.160 3.241 10 5 EGBERN CC[C@H](NC(=O)Cn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000357670101 166740448 /nfs/dbraw/zinc/74/04/48/166740448.db2.gz FWXSWDGQUDQHFN-HNNXBMFYSA-N 0 0 338.367 3.212 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2CCC(c3ccccc3)CC2)n1 ZINC000357911311 166810579 /nfs/dbraw/zinc/81/05/79/166810579.db2.gz NNUMAUMNERYAJW-UHFFFAOYSA-N 0 0 342.399 3.032 10 5 EGBERN Cc1cc(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000358055713 166825744 /nfs/dbraw/zinc/82/57/44/166825744.db2.gz ZZIOCASWJOZTNF-UHFFFAOYSA-N 0 0 346.387 3.054 10 5 EGBERN O=C(NCc1ccc(F)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358912355 167003400 /nfs/dbraw/zinc/00/34/00/167003400.db2.gz XSMXCJUQTWOKTJ-UHFFFAOYSA-N 0 0 340.257 3.265 10 5 EGBERN CSCC[C@H](C)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358949135 167016495 /nfs/dbraw/zinc/01/64/95/167016495.db2.gz JNASDZYNEFIQDN-VIFPVBQESA-N 0 0 348.371 3.410 10 5 EGBERN CCN(C[C@H]1COc2ccccc2O1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359081109 167061481 /nfs/dbraw/zinc/06/14/81/167061481.db2.gz HYFCMPOLYBXNGO-AWEZNQCLSA-N 0 0 343.383 3.273 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2ccc(S(C)(=O)=O)cc2)n1 ZINC000359102738 167067604 /nfs/dbraw/zinc/06/76/04/167067604.db2.gz HAJWMNYQLZVTML-UHFFFAOYSA-N 0 0 338.410 3.161 10 5 EGBERN COc1cc(C(=O)N[C@@H]2CCc3c2cccc3F)cc([N+](=O)[O-])c1C ZINC000359165838 167086321 /nfs/dbraw/zinc/08/63/21/167086321.db2.gz JTDNCZVNBRNCAQ-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000359167279 167086457 /nfs/dbraw/zinc/08/64/57/167086457.db2.gz YXQCQQBTFBPZFB-KBXCAEBGSA-N 0 0 332.400 3.402 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359191742 167092042 /nfs/dbraw/zinc/09/20/42/167092042.db2.gz FWEPONVBVMISKE-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2cccnc2)s1 ZINC000359361496 167136289 /nfs/dbraw/zinc/13/62/89/167136289.db2.gz NQEMTUWZAPEQCD-UHFFFAOYSA-N 0 0 340.364 3.295 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1c[nH]c2ccc(F)cc12 ZINC000359486013 167169522 /nfs/dbraw/zinc/16/95/22/167169522.db2.gz TWXBXAYLNFYJRD-UHFFFAOYSA-N 0 0 331.351 3.395 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cncc(F)c1 ZINC000359552843 167191070 /nfs/dbraw/zinc/19/10/70/167191070.db2.gz DZLQDEOAGJERRJ-SNVBAGLBSA-N 0 0 340.314 3.168 10 5 EGBERN CC1CCC(C)(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360214484 167274003 /nfs/dbraw/zinc/27/40/03/167274003.db2.gz CNGHRTYVBWDACJ-UHFFFAOYSA-N 0 0 340.445 3.231 10 5 EGBERN CC[C@H](c1ccccc1OC)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000360512743 167345955 /nfs/dbraw/zinc/34/59/55/167345955.db2.gz UFOROTOMUWUICO-CYBMUJFWSA-N 0 0 346.387 3.043 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCn2c(cc3ccccc32)C1 ZINC000360578491 167362953 /nfs/dbraw/zinc/36/29/53/167362953.db2.gz DGLINPXFRASVBK-UHFFFAOYSA-N 0 0 339.326 3.345 10 5 EGBERN CC(=O)c1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000360919580 167449140 /nfs/dbraw/zinc/44/91/40/167449140.db2.gz SWHAOBMRJQSUSU-UHFFFAOYSA-N 0 0 334.278 3.257 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2cnccn2)CC1 ZINC000366005585 168070547 /nfs/dbraw/zinc/07/05/47/168070547.db2.gz DFHVBRMWDIDDND-UHFFFAOYSA-N 0 0 347.806 3.143 10 5 EGBERN C[C@@H]1C[C@]2(CCO1)CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366808880 168142785 /nfs/dbraw/zinc/14/27/85/168142785.db2.gz KDXAWHWBIFSWDX-IOEBQAGCSA-N 0 0 346.427 3.266 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367548693 168239948 /nfs/dbraw/zinc/23/99/48/168239948.db2.gz FCIRQFNPFFRWFV-BBRMVZONSA-N 0 0 346.408 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367550457 168240564 /nfs/dbraw/zinc/24/05/64/168240564.db2.gz RRVNYDKUFUYZLM-CRAIPNDOSA-N 0 0 340.379 3.411 10 5 EGBERN Cc1c(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000154979886 264812012 /nfs/dbraw/zinc/81/20/12/264812012.db2.gz LTNDSBVIBQIQPV-CZUORRHYSA-N 0 0 335.404 3.356 10 5 EGBERN CCc1cnc(CCNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000173484496 264983871 /nfs/dbraw/zinc/98/38/71/264983871.db2.gz YOOJQSXJTQABOV-UHFFFAOYSA-N 0 0 333.413 3.149 10 5 EGBERN CC[C@@H](NS(=O)(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000175110852 265093102 /nfs/dbraw/zinc/09/31/02/265093102.db2.gz NKLWFDQDCURABV-CQSZACIVSA-N 0 0 338.360 3.164 10 5 EGBERN CC[C@@H](NC(=O)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177797878 265278257 /nfs/dbraw/zinc/27/82/57/265278257.db2.gz LEMWDRCBDNBFAJ-MRXNPFEDSA-N 0 0 344.367 3.493 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000177845793 265283034 /nfs/dbraw/zinc/28/30/34/265283034.db2.gz FBZSRQWXSHWAND-BBRMVZONSA-N 0 0 340.379 3.332 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000178177977 265298746 /nfs/dbraw/zinc/29/87/46/265298746.db2.gz JUCDVEYHQITIDP-CYBMUJFWSA-N 0 0 331.759 3.248 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000183629054 265444457 /nfs/dbraw/zinc/44/44/57/265444457.db2.gz FAUYZJKZDQYLIS-CYBMUJFWSA-N 0 0 345.424 3.397 10 5 EGBERN CCC[C@H](CCc1ccccc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191634022 265921454 /nfs/dbraw/zinc/92/14/54/265921454.db2.gz JFRGACRUCJMCOO-OAHLLOKOSA-N 0 0 344.415 3.343 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc21 ZINC000192889966 265995376 /nfs/dbraw/zinc/99/53/76/265995376.db2.gz HXMKPYHUJUDZIL-UHFFFAOYSA-N 0 0 327.315 3.487 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269904542 266379159 /nfs/dbraw/zinc/37/91/59/266379159.db2.gz BXOZNUHKKHRTMH-UHFFFAOYSA-N 0 0 344.396 3.237 10 5 EGBERN C[C@H]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000272177107 266785984 /nfs/dbraw/zinc/78/59/84/266785984.db2.gz QIRALSFQALBCSE-IUCAKERBSA-N 0 0 343.177 3.111 10 5 EGBERN C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000272636976 266886388 /nfs/dbraw/zinc/88/63/88/266886388.db2.gz YPSOXCAXIBBVIA-QMMMGPOBSA-N 0 0 343.261 3.265 10 5 EGBERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272806196 266921864 /nfs/dbraw/zinc/92/18/64/266921864.db2.gz IMXIPXQSKHGMLU-BXUZGUMPSA-N 0 0 339.417 3.399 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC12CCCC2 ZINC000273251251 267005630 /nfs/dbraw/zinc/00/56/30/267005630.db2.gz JHKLAWJHKGDMPB-WYMLVPIESA-N 0 0 330.384 3.170 10 5 EGBERN CCC1(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000273511983 267050113 /nfs/dbraw/zinc/05/01/13/267050113.db2.gz OTDDNYVVFAGHAS-WYMLVPIESA-N 0 0 332.400 3.321 10 5 EGBERN CC(C)(C(=O)NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000273845579 267124010 /nfs/dbraw/zinc/12/40/10/267124010.db2.gz KIFVBZVXNVLDBS-UHFFFAOYSA-N 0 0 345.374 3.156 10 5 EGBERN C[C@H](c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1)C1CC1 ZINC000274007560 267163589 /nfs/dbraw/zinc/16/35/89/267163589.db2.gz ODSMXLQWIHWADC-LKFCYVNXSA-N 0 0 328.328 3.357 10 5 EGBERN CC1(C)CC[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000278441914 268014083 /nfs/dbraw/zinc/01/40/83/268014083.db2.gz URDWDHXMYVXWDK-GFCCVEGCSA-N 0 0 346.305 3.187 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)n1 ZINC000278498795 268026307 /nfs/dbraw/zinc/02/63/07/268026307.db2.gz WZJLOPOFJKSBPP-GFCCVEGCSA-N 0 0 328.372 3.118 10 5 EGBERN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000006454428 275117319 /nfs/dbraw/zinc/11/73/19/275117319.db2.gz KKDQNBSMHONSCE-UHFFFAOYSA-N 0 0 335.699 3.239 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(OC)c1 ZINC000103376598 275161775 /nfs/dbraw/zinc/16/17/75/275161775.db2.gz GGIRVSLWOGXRHC-LLVKDONJSA-N 0 0 342.351 3.203 10 5 EGBERN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000184987709 275214345 /nfs/dbraw/zinc/21/43/45/275214345.db2.gz YQOAFQRJCGZVHU-BETUJISGSA-N 0 0 343.383 3.026 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000185399440 275215217 /nfs/dbraw/zinc/21/52/17/275215217.db2.gz YHKDCMKEDHZINK-UHFFFAOYSA-N 0 0 344.820 3.121 10 5 EGBERN CC(C)Cc1ncc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000278631731 275260965 /nfs/dbraw/zinc/26/09/65/275260965.db2.gz IGSNYVJTLWIRTH-UHFFFAOYSA-N 0 0 345.428 3.416 10 5 EGBERN CO[C@@]1(C)CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000279320356 275322346 /nfs/dbraw/zinc/32/23/46/275322346.db2.gz DFISSCNTVRFBHX-HNNXBMFYSA-N 0 0 326.780 3.198 10 5 EGBERN CC1(C)CCCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280230850 275424296 /nfs/dbraw/zinc/42/42/96/275424296.db2.gz XOJNSUTUHAXPHV-GFCCVEGCSA-N 0 0 330.388 3.304 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000350831101 275509390 /nfs/dbraw/zinc/50/93/90/275509390.db2.gz CNEOSRDAIHKHMS-UHFFFAOYSA-N 0 0 330.388 3.335 10 5 EGBERN CC(C)(C)c1nnc(COC(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000281338649 275541531 /nfs/dbraw/zinc/54/15/31/275541531.db2.gz XVQNVSNKRVMDJN-UHFFFAOYSA-N 0 0 335.385 3.030 10 5 EGBERN Cc1nc(NC(=O)CO[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000281696263 275569037 /nfs/dbraw/zinc/56/90/37/275569037.db2.gz PJPKMAFOCQRTON-MRXNPFEDSA-N 0 0 341.367 3.331 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC=C(Br)C1 ZINC000281925122 275588940 /nfs/dbraw/zinc/58/89/40/275588940.db2.gz SVIMQVMUHDLPHE-UHFFFAOYSA-N 0 0 340.177 3.420 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000281960760 275591859 /nfs/dbraw/zinc/59/18/59/275591859.db2.gz XQJXCIGQAJMCAH-UHFFFAOYSA-N 0 0 336.779 3.286 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375384257 275730174 /nfs/dbraw/zinc/73/01/74/275730174.db2.gz LJSLWVAVPUZUEM-GPZRYRNASA-N 0 0 330.384 3.027 10 5 EGBERN CC(C)c1nn(-c2ccccc2)cc1CNc1ccncc1[N+](=O)[O-] ZINC000361075091 275769231 /nfs/dbraw/zinc/76/92/31/275769231.db2.gz RXDOZYNRFBWZOC-UHFFFAOYSA-N 0 0 337.383 3.333 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC=C(Br)C2)c1F ZINC000284996332 275840827 /nfs/dbraw/zinc/84/08/27/275840827.db2.gz QTDXYXXLEJNDJY-UHFFFAOYSA-N 0 0 343.152 3.167 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000286341444 275984591 /nfs/dbraw/zinc/98/45/91/275984591.db2.gz IKZBTCXQDWJRMH-UJGDBWEASA-N 0 0 340.383 3.475 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000287240750 276100056 /nfs/dbraw/zinc/10/00/56/276100056.db2.gz WTNXLEKRVNBNMN-OAHLLOKOSA-N 0 0 328.372 3.419 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000287791902 276157651 /nfs/dbraw/zinc/15/76/51/276157651.db2.gz WBIDYTAHPSWLOC-WFASDCNBSA-N 0 0 337.445 3.488 10 5 EGBERN CCc1nn(C)c(Oc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000288073505 276180709 /nfs/dbraw/zinc/18/07/09/276180709.db2.gz HCSVFPLNRLONKP-UHFFFAOYSA-N 0 0 326.696 3.245 10 5 EGBERN Cc1ccc(CS(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000288870092 276262122 /nfs/dbraw/zinc/26/21/22/276262122.db2.gz NVUJEJZTALXCDU-CQSZACIVSA-N 0 0 348.424 3.392 10 5 EGBERN Cc1ccccc1[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)C(C)C ZINC000289218871 276306041 /nfs/dbraw/zinc/30/60/41/276306041.db2.gz VIUIMSHFVRISOL-CQSZACIVSA-N 0 0 341.371 3.475 10 5 EGBERN COC(=O)[C@H](OC)c1ccccc1OCc1cccc([N+](=O)[O-])c1C ZINC000289724451 276383894 /nfs/dbraw/zinc/38/38/94/276383894.db2.gz JUQORSOOPOZDFY-QGZVFWFLSA-N 0 0 345.351 3.343 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCc1nccs1 ZINC000289769846 276391017 /nfs/dbraw/zinc/39/10/17/276391017.db2.gz NKYASGFTTYDSAH-UHFFFAOYSA-N 0 0 334.401 3.422 10 5 EGBERN Cc1cc(OCc2nc(CCC(F)(F)F)no2)ccc1[N+](=O)[O-] ZINC000290182510 276459657 /nfs/dbraw/zinc/45/96/57/276459657.db2.gz SJQGWSPYJVFZEV-UHFFFAOYSA-N 0 0 331.250 3.360 10 5 EGBERN CCc1ccc(C(=O)CCc2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1 ZINC000291147772 276596877 /nfs/dbraw/zinc/59/68/77/276596877.db2.gz ZAZODWCDBGRRRB-UHFFFAOYSA-N 0 0 345.399 3.435 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC(C)(C)C)CC2)c1 ZINC000360129921 277161547 /nfs/dbraw/zinc/16/15/47/277161547.db2.gz WCNXMLZQYTWGHJ-UHFFFAOYSA-N 0 0 336.388 3.165 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000094017167 278664713 /nfs/dbraw/zinc/66/47/13/278664713.db2.gz UEILUZKBNWVFCH-CABCVRRESA-N 0 0 332.400 3.304 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H]1C ZINC000361059126 279236275 /nfs/dbraw/zinc/23/62/75/279236275.db2.gz DWFOFYGHQGHNNZ-CHWSQXEVSA-N 0 0 325.368 3.499 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000268212967 280367282 /nfs/dbraw/zinc/36/72/82/280367282.db2.gz PIPMORAGRTUTTR-AWEZNQCLSA-N 0 0 335.341 3.142 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3ccc(F)cc3)nn21 ZINC000347902259 280382920 /nfs/dbraw/zinc/38/29/20/280382920.db2.gz NXMCDDYFTUXENS-ZDUSSCGKSA-N 0 0 327.319 3.118 10 5 EGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000183168523 281113469 /nfs/dbraw/zinc/11/34/69/281113469.db2.gz CCZFZCFDTYVTIC-APPDUMDISA-N 0 0 325.368 3.149 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000185765740 301837623 /nfs/dbraw/zinc/83/76/23/301837623.db2.gz ZBPWYOSTWSMVMN-GXFFZTMASA-N 0 0 345.355 3.210 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000371592626 302620831 /nfs/dbraw/zinc/62/08/31/302620831.db2.gz IYRTWKAGYJEQTB-HNNXBMFYSA-N 0 0 344.371 3.352 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCOc1ccc(F)cc1 ZINC000053641202 307335829 /nfs/dbraw/zinc/33/58/29/307335829.db2.gz LOCSHUDRKTXOGL-UHFFFAOYSA-N 0 0 347.346 3.026 10 5 EGBERN CC(C)COC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054322450 307337513 /nfs/dbraw/zinc/33/75/13/307337513.db2.gz PJXRNVWMBGNFSB-AWEZNQCLSA-N 0 0 349.431 3.059 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCc3ccccc32)s1 ZINC000066000315 307360956 /nfs/dbraw/zinc/36/09/56/307360956.db2.gz BLTRHXQGXHUWTP-UHFFFAOYSA-N 0 0 338.410 3.188 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCc2noc(Cc3ccccc3)n2)c1 ZINC000068044355 307368813 /nfs/dbraw/zinc/36/88/13/307368813.db2.gz ZMMBACNYOWTOKN-UHFFFAOYSA-N 0 0 325.324 3.456 10 5 EGBERN C[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CS1 ZINC000413944844 309053584 /nfs/dbraw/zinc/05/35/84/309053584.db2.gz FFKKEBIZCZFJET-YUMQZZPRSA-N 0 0 334.319 3.237 10 5 EGBERN CCOC(=O)c1cc(NCc2nccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000135304573 307700822 /nfs/dbraw/zinc/70/08/22/307700822.db2.gz LQXQWYQKDMTTTC-UHFFFAOYSA-N 0 0 346.387 3.236 10 5 EGBERN C[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000155700167 307819001 /nfs/dbraw/zinc/81/90/01/307819001.db2.gz VGHWDWALVNZSQZ-LLVKDONJSA-N 0 0 329.356 3.144 10 5 EGBERN COc1cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000160418845 307889716 /nfs/dbraw/zinc/88/97/16/307889716.db2.gz DVXKVYOYBNXKPK-GFCCVEGCSA-N 0 0 344.367 3.012 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC/C=C\c1ccccc1 ZINC000255307257 308046086 /nfs/dbraw/zinc/04/60/86/308046086.db2.gz JVGWVEQVHQAWBM-TWGQIWQCSA-N 0 0 325.368 3.226 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414471998 309082386 /nfs/dbraw/zinc/08/23/86/309082386.db2.gz NBORHVBCHLRYIZ-DYVFJYSZSA-N 0 0 346.408 3.340 10 5 EGBERN C[C@@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000414473101 309082606 /nfs/dbraw/zinc/08/26/06/309082606.db2.gz PZRBXUNJCFGVLB-CXAGYDPISA-N 0 0 346.408 3.340 10 5 EGBERN CC(C)c1n[nH]c(C(=O)NCc2ccc(C3CC3)cc2F)c1[N+](=O)[O-] ZINC000293712460 308155211 /nfs/dbraw/zinc/15/52/11/308155211.db2.gz RSPHDEYSYQEVOQ-UHFFFAOYSA-N 0 0 346.362 3.388 10 5 EGBERN CCc1noc(C)c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293836793 308166424 /nfs/dbraw/zinc/16/64/24/308166424.db2.gz GYIUDXIZDRYHQD-NSHDSACASA-N 0 0 349.412 3.251 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCCSCC1 ZINC000294616008 308238489 /nfs/dbraw/zinc/23/84/89/308238489.db2.gz WCIBYZSLIYGZIG-UHFFFAOYSA-N 0 0 334.319 3.193 10 5 EGBERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631009 308239919 /nfs/dbraw/zinc/23/99/19/308239919.db2.gz PGYGGONYLABKNI-DDFAGTSDSA-N 0 0 332.322 3.347 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000295497210 308332712 /nfs/dbraw/zinc/33/27/12/308332712.db2.gz JUOSRMOTTUWKSD-KRWDZBQOSA-N 0 0 335.379 3.159 10 5 EGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@](C)(F)C1 ZINC000295514216 308334734 /nfs/dbraw/zinc/33/47/34/308334734.db2.gz UHVHCDFYBZNVQJ-BONVTDFDSA-N 0 0 343.786 3.399 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC(O)CC3)CC2)c1 ZINC000295582965 308340595 /nfs/dbraw/zinc/34/05/95/308340595.db2.gz ONFWOFJLCACPTC-UHFFFAOYSA-N 0 0 332.400 3.061 10 5 EGBERN Cc1cccnc1CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296582767 308443666 /nfs/dbraw/zinc/44/36/66/308443666.db2.gz TXAUHSINUHVOFW-CQSZACIVSA-N 0 0 342.399 3.210 10 5 EGBERN CO[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296858963 308474473 /nfs/dbraw/zinc/47/44/73/308474473.db2.gz FFNFQAGBJYRISH-SICOMBFOSA-N 0 0 332.400 3.272 10 5 EGBERN Cc1ccc2ncnc(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000301122652 308689011 /nfs/dbraw/zinc/68/90/11/308689011.db2.gz SUSPUELMGFEPAA-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000301125921 308689159 /nfs/dbraw/zinc/68/91/59/308689159.db2.gz OCRXEYMIAABHQH-UHFFFAOYSA-N 0 0 333.775 3.480 10 5 EGBERN Cc1cc(NC[C@](C)(O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301222057 308692212 /nfs/dbraw/zinc/69/22/12/308692212.db2.gz CLNWWHKUSNVLAS-KRWDZBQOSA-N 0 0 330.388 3.179 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H]1CCC[C@H]1O ZINC000301470822 308701523 /nfs/dbraw/zinc/70/15/23/308701523.db2.gz OZBQELWAFBWYKA-RDDDGLTNSA-N 0 0 349.265 3.095 10 5 EGBERN O=c1[nH]cnc2cc(NCCc3cc(F)ccc3F)c([N+](=O)[O-])cc12 ZINC000301475192 308701741 /nfs/dbraw/zinc/70/17/41/308701741.db2.gz NNNNKJUYYZKMMJ-UHFFFAOYSA-N 0 0 346.293 3.176 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000301541434 308704430 /nfs/dbraw/zinc/70/44/30/308704430.db2.gz KAPJGFGNLCIIQP-NHBFPYQTSA-N 0 0 340.445 3.233 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301629503 308708132 /nfs/dbraw/zinc/70/81/32/308708132.db2.gz SBBVOLURZQQZLN-NSHDSACASA-N 0 0 336.754 3.473 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000301633524 308708344 /nfs/dbraw/zinc/70/83/44/308708344.db2.gz JZCNMOWSHPWWPQ-GOSISDBHSA-N 0 0 346.358 3.495 10 5 EGBERN COC(=O)c1cc(NCCc2ccc(Cl)nc2)cc(C)c1[N+](=O)[O-] ZINC000301679346 308710653 /nfs/dbraw/zinc/71/06/53/308710653.db2.gz SBCHZBJSQWFODR-UHFFFAOYSA-N 0 0 349.774 3.393 10 5 EGBERN Cc1cc(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301681880 308710772 /nfs/dbraw/zinc/71/07/72/308710772.db2.gz VKTBTJADAFFFEP-MRXNPFEDSA-N 0 0 331.416 3.496 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(NCCCc3cccc(F)c3)cc2N1 ZINC000301692404 308711232 /nfs/dbraw/zinc/71/12/32/308711232.db2.gz OFIGMXMGZAKNLB-UHFFFAOYSA-N 0 0 345.330 3.110 10 5 EGBERN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1cccs1 ZINC000301710574 308712041 /nfs/dbraw/zinc/71/20/41/308712041.db2.gz XPIDWFWRNNIUME-JTQLQIEISA-N 0 0 347.396 3.278 10 5 EGBERN Cc1nc2ccccc2n1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301738175 308713245 /nfs/dbraw/zinc/71/32/45/308713245.db2.gz ISRGYUIMZCOGLM-UHFFFAOYSA-N 0 0 331.763 3.413 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1-n1cccn1 ZINC000301757725 308714027 /nfs/dbraw/zinc/71/40/27/308714027.db2.gz YVUHNIJCIIXKJW-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN CCc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000301768803 308714514 /nfs/dbraw/zinc/71/45/14/308714514.db2.gz JFRHSLUESSTXFS-UHFFFAOYSA-N 0 0 338.360 3.443 10 5 EGBERN C[C@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301784316 308715229 /nfs/dbraw/zinc/71/52/29/308715229.db2.gz KHSLZQMVGNNKOY-NWDGAFQWSA-N 0 0 326.418 3.237 10 5 EGBERN CCO[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000301966131 308723396 /nfs/dbraw/zinc/72/33/96/308723396.db2.gz OHZQUSRBCHTNJQ-NWDGAFQWSA-N 0 0 333.392 3.033 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCC3(Cc4ccccc4)CCC3)nn21 ZINC000301968860 308723452 /nfs/dbraw/zinc/72/34/52/308723452.db2.gz PWPFOLMFOKWMQU-UHFFFAOYSA-N 0 0 337.383 3.462 10 5 EGBERN COC(=O)c1cc(Nc2ccc3c(c2)N(C)CC3)ccc1[N+](=O)[O-] ZINC000301995571 308724627 /nfs/dbraw/zinc/72/46/27/308724627.db2.gz HIPNHHZXZISNEV-UHFFFAOYSA-N 0 0 327.340 3.117 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC1CCN(c2cccc(F)c2)CC1 ZINC000302021526 308725587 /nfs/dbraw/zinc/72/55/87/308725587.db2.gz FOOGPMZSMKKKCH-UHFFFAOYSA-N 0 0 345.374 3.307 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000302032473 308726094 /nfs/dbraw/zinc/72/60/94/308726094.db2.gz KQRKDAQXVZESOE-ZDUSSCGKSA-N 0 0 348.786 3.398 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2c(C)noc2C)c1 ZINC000302198303 308732985 /nfs/dbraw/zinc/73/29/85/308732985.db2.gz UEIGTFLEYQNTFT-VIFPVBQESA-N 0 0 333.344 3.029 10 5 EGBERN CCOc1cc(N2CC[S@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000302210993 308733574 /nfs/dbraw/zinc/73/35/74/308733574.db2.gz CYJKXHCCDGMSBL-QHCPKHFHSA-N 0 0 340.445 3.121 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NC1CCC(O)(c2cccnc2)CC1 ZINC000302279065 308735451 /nfs/dbraw/zinc/73/54/51/308735451.db2.gz UMKGKJZPSBFKME-UHFFFAOYSA-N 0 0 348.790 3.281 10 5 EGBERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302471351 308737647 /nfs/dbraw/zinc/73/76/47/308737647.db2.gz UIRADSXYOQQCJG-YPMHNXCESA-N 0 0 336.392 3.047 10 5 EGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000302605206 308740512 /nfs/dbraw/zinc/74/05/12/308740512.db2.gz DBPIIYSRBKQEFZ-HIFRSBDPSA-N 0 0 346.408 3.214 10 5 EGBERN COCC[C@H](COC)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000312854213 308764645 /nfs/dbraw/zinc/76/46/45/308764645.db2.gz QXLLUXKURABHFT-SNVBAGLBSA-N 0 0 347.209 3.129 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2N1 ZINC000302869736 308748727 /nfs/dbraw/zinc/74/87/27/308748727.db2.gz XSGCRSHOUCDPSR-NWDGAFQWSA-N 0 0 343.314 3.033 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](CO)C2)c(Br)c1 ZINC000311419331 308764291 /nfs/dbraw/zinc/76/42/91/308764291.db2.gz NLXGVQUQZHKDFE-VHSXEESVSA-N 0 0 329.194 3.320 10 5 EGBERN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000331075629 308801799 /nfs/dbraw/zinc/80/17/99/308801799.db2.gz VLJQSKVBZSJINF-MWLCHTKSSA-N 0 0 328.315 3.457 10 5 EGBERN COc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])ccc1NC(C)=O ZINC000359086535 308892371 /nfs/dbraw/zinc/89/23/71/308892371.db2.gz VIKUZQVTUWQQKF-UHFFFAOYSA-N 0 0 330.344 3.317 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000410156694 308915308 /nfs/dbraw/zinc/91/53/08/308915308.db2.gz ZQZOGBULTQTNGS-AULYBMBSSA-N 0 0 343.358 3.301 10 5 EGBERN COc1cc(C(=O)N(CC(F)F)CC2CCC2)c([N+](=O)[O-])cc1F ZINC000410634202 308919465 /nfs/dbraw/zinc/91/94/65/308919465.db2.gz UEALRYCYFUIPLK-UHFFFAOYSA-N 0 0 346.305 3.250 10 5 EGBERN CC1(C2(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000411060758 308925079 /nfs/dbraw/zinc/92/50/79/308925079.db2.gz HIYJPMJVLZFCLF-UHFFFAOYSA-N 0 0 339.189 3.420 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000412174056 308972960 /nfs/dbraw/zinc/97/29/60/308972960.db2.gz WMBCJVHTCKBTSP-YQVWRLOYSA-N 0 0 344.411 3.118 10 5 EGBERN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000412225395 308975788 /nfs/dbraw/zinc/97/57/88/308975788.db2.gz AYPJTLMUDPFAFC-XFBWCDHKSA-N 0 0 326.352 3.281 10 5 EGBERN CCc1noc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412364321 308983099 /nfs/dbraw/zinc/98/30/99/308983099.db2.gz OMCRXURRJNDQPV-UHFFFAOYSA-N 0 0 347.371 3.171 10 5 EGBERN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000412815136 309004077 /nfs/dbraw/zinc/00/40/77/309004077.db2.gz UIDMPYKXKLWLRL-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN COc1cccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000413149266 309018290 /nfs/dbraw/zinc/01/82/90/309018290.db2.gz ROJNVEWTVMXUMA-LBPRGKRZSA-N 0 0 346.362 3.218 10 5 EGBERN CC[C@@H](NC(=O)N[C@H](C)C1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000413348524 309028120 /nfs/dbraw/zinc/02/81/20/309028120.db2.gz DIDGVFLYTJROIP-IUODEOHRSA-N 0 0 335.404 3.303 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CCCC1 ZINC000414987001 309112962 /nfs/dbraw/zinc/11/29/62/309112962.db2.gz DBODVNJTNYSFMM-UHFFFAOYSA-N 0 0 330.306 3.376 10 5 EGBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416612053 309175141 /nfs/dbraw/zinc/17/51/41/309175141.db2.gz COMXQROENXFEPE-VIFPVBQESA-N 0 0 332.809 3.057 10 5 EGBERN O=[N+]([O-])c1ccc(CNc2ccc(F)cc2N2CCOCC2)cc1 ZINC000417072537 309191911 /nfs/dbraw/zinc/19/19/11/309191911.db2.gz WUDBISSYKZNRSW-UHFFFAOYSA-N 0 0 331.347 3.183 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000417465037 309206990 /nfs/dbraw/zinc/20/69/90/309206990.db2.gz HHJPBRGGRCXKHU-RWMBFGLXSA-N 0 0 329.404 3.354 10 5 EGBERN COC1(C(F)(F)F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000418985145 309259248 /nfs/dbraw/zinc/25/92/48/309259248.db2.gz MHFRVVJFGDDHIY-UHFFFAOYSA-N 0 0 339.701 3.191 10 5 EGBERN Cc1ncccc1OC[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419029689 309259753 /nfs/dbraw/zinc/25/97/53/309259753.db2.gz RUWITIGZLGEQDF-CYBMUJFWSA-N 0 0 348.790 3.394 10 5 EGBERN Cc1cnc(N2CCC[C@H]2COc2cccnc2C)c([N+](=O)[O-])c1 ZINC000419028010 309259797 /nfs/dbraw/zinc/25/97/97/309259797.db2.gz POUMAKMFXJDRSF-AWEZNQCLSA-N 0 0 328.372 3.049 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2COc2cccnc2C)n1 ZINC000419032768 309259813 /nfs/dbraw/zinc/25/98/13/309259813.db2.gz XEHNIULQFOLVNT-OAHLLOKOSA-N 0 0 342.399 3.358 10 5 EGBERN CCc1[nH]nc(-c2nc([C@@H](C)Oc3ccccc3)no2)c1[N+](=O)[O-] ZINC000420485002 309287810 /nfs/dbraw/zinc/28/78/10/309287810.db2.gz GFVJVDOLFINTNE-SECBINFHSA-N 0 0 329.316 3.070 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(OCC(C)C)CC1 ZINC000421450914 309325108 /nfs/dbraw/zinc/32/51/08/309325108.db2.gz RNYOSZDERYLWHW-UHFFFAOYSA-N 0 0 334.416 3.489 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(CC(F)F)C1 ZINC000425075709 309465269 /nfs/dbraw/zinc/46/52/69/309465269.db2.gz IGXUESSFBLZFIP-QMMMGPOBSA-N 0 0 348.733 3.129 10 5 EGBERN COc1cc(CN2c3ccccc3CC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000425498061 309483037 /nfs/dbraw/zinc/48/30/37/309483037.db2.gz ZSFIEQGBAXQSNK-MRXNPFEDSA-N 0 0 342.395 3.307 10 5 EGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc2[nH]ccc21 ZINC000425970855 309496226 /nfs/dbraw/zinc/49/62/26/309496226.db2.gz KCRNCSFBPOQFSE-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(C)c2)CC(C)C)n1 ZINC000427197949 309524546 /nfs/dbraw/zinc/52/45/46/309524546.db2.gz SANHISFVZXSJRG-UHFFFAOYSA-N 0 0 344.415 3.418 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000427602544 309532002 /nfs/dbraw/zinc/53/20/02/309532002.db2.gz QKYOMQBRGXFIEP-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428084370 309541897 /nfs/dbraw/zinc/54/18/97/309541897.db2.gz NTBQKCSISCNGRC-DDFAGTSDSA-N 0 0 339.189 3.194 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000428395979 309549861 /nfs/dbraw/zinc/54/98/61/309549861.db2.gz BFRLPRMRPQJZGO-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1cc(OCC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000430405348 309607327 /nfs/dbraw/zinc/60/73/27/309607327.db2.gz DPGORLZMLWGQMO-CVEARBPZSA-N 0 0 344.342 3.093 10 5 EGBERN CC[C@H]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431605286 309637790 /nfs/dbraw/zinc/63/77/90/309637790.db2.gz AHCXEGRRZPWZKA-CTYIDZIISA-N 0 0 340.445 3.026 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCC[C@@H]1COc2ccccc2O1 ZINC000434945855 309722538 /nfs/dbraw/zinc/72/25/38/309722538.db2.gz GFXKMTLQOYKNHC-LLVKDONJSA-N 0 0 335.747 3.285 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NCC[C@@H]1COc3ccccc3O1)CCN2 ZINC000436402694 309754687 /nfs/dbraw/zinc/75/46/87/309754687.db2.gz ZXWRRICTJDTSPF-GFCCVEGCSA-N 0 0 341.367 3.205 10 5 EGBERN Cc1cn([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc1[N+](=O)[O-] ZINC000439196967 309828176 /nfs/dbraw/zinc/82/81/76/309828176.db2.gz HOCNIWGSENPRDK-VIFPVBQESA-N 0 0 342.277 3.318 10 5 EGBERN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1C ZINC000439229417 309828845 /nfs/dbraw/zinc/82/88/45/309828845.db2.gz MYZLFFYZHRWDET-UHFFFAOYSA-N 0 0 338.367 3.375 10 5 EGBERN CC(C)(C(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000439924862 309842267 /nfs/dbraw/zinc/84/22/67/309842267.db2.gz AEPHBEUEKQFMJW-GJZGRUSLSA-N 0 0 346.427 3.148 10 5 EGBERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443778088 309907978 /nfs/dbraw/zinc/90/79/78/309907978.db2.gz XVKCPVISIOABNB-KBPBESRZSA-N 0 0 340.445 3.231 10 5 EGBERN COc1cc(CN(c2nc(C)cc(C)c2[N+](=O)[O-])C2CC2)ccc1O ZINC000444830788 309931704 /nfs/dbraw/zinc/93/17/04/309931704.db2.gz YJCQMWXSYDXFPD-UHFFFAOYSA-N 0 0 343.383 3.490 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446534620 309963440 /nfs/dbraw/zinc/96/34/40/309963440.db2.gz BMJXDOVSYXFZTE-LJQANCHMSA-N 0 0 340.379 3.164 10 5 EGBERN CC(C)[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000447052529 309972824 /nfs/dbraw/zinc/97/28/24/309972824.db2.gz SBYVVBSTJXLTPB-CQSZACIVSA-N 0 0 342.399 3.042 10 5 EGBERN COc1c(C)cnc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000447691453 309985761 /nfs/dbraw/zinc/98/57/61/309985761.db2.gz ROVNOMYMWSSTFH-UHFFFAOYSA-N 0 0 341.371 3.128 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000448797400 310018250 /nfs/dbraw/zinc/01/82/50/310018250.db2.gz QHCFSAHFQIIJDD-IAGOWNOFSA-N 0 0 338.363 3.230 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450005511 310098448 /nfs/dbraw/zinc/09/84/48/310098448.db2.gz WFOWJYVSOBUTFQ-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC2CCC1CC2 ZINC000450157265 310106295 /nfs/dbraw/zinc/10/62/95/310106295.db2.gz NINUGJPOTYIAEU-ZUEPYMLJSA-N 0 0 330.384 3.253 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N(Cc3ccco3)C[C@@H]3CCCO3)nc2c1 ZINC000450392931 310119945 /nfs/dbraw/zinc/11/99/45/310119945.db2.gz PCZUZJKTEJZOCL-AWEZNQCLSA-N 0 0 342.355 3.250 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000450426253 310121882 /nfs/dbraw/zinc/12/18/82/310121882.db2.gz POGCXDAHSLPKHC-HOTGVXAUSA-N 0 0 329.400 3.376 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](NCc2ccccc2)C(F)(F)F)cn1 ZINC000450544376 310129173 /nfs/dbraw/zinc/12/91/73/310129173.db2.gz OCJIPNAOHJSMJM-CYBMUJFWSA-N 0 0 340.305 3.122 10 5 EGBERN CC(C)[C@H]1C[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000450734643 310140014 /nfs/dbraw/zinc/14/00/14/310140014.db2.gz CXBNBELUTJOSGF-ZYHUDNBSSA-N 0 0 336.417 3.463 10 5 EGBERN CC(C)[C@H]1C[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000450740188 310140312 /nfs/dbraw/zinc/14/03/12/310140312.db2.gz SUARUVIIVLIGPU-CXAGYDPISA-N 0 0 329.400 3.428 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000450738665 310140322 /nfs/dbraw/zinc/14/03/22/310140322.db2.gz OVKXDCJXERZKEE-YVEFUNNKSA-N 0 0 347.415 3.343 10 5 EGBERN COC(=O)c1cnc(N2CC(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000450831292 310144671 /nfs/dbraw/zinc/14/46/71/310144671.db2.gz SUFGQDBEGUHUAH-UHFFFAOYSA-N 0 0 347.758 3.034 10 5 EGBERN CCCc1ncc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)o1 ZINC000450846414 310145580 /nfs/dbraw/zinc/14/55/80/310145580.db2.gz MPJYYNLLCXKBIC-UHFFFAOYSA-N 0 0 333.344 3.242 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451317497 310171292 /nfs/dbraw/zinc/17/12/92/310171292.db2.gz WLELTXPMUHCURF-FRRDWIJNSA-N 0 0 342.399 3.492 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000452195815 310217989 /nfs/dbraw/zinc/21/79/89/310217989.db2.gz YXJORBYZJSCEAP-ZDUSSCGKSA-N 0 0 346.362 3.388 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CCOCC1 ZINC000452200032 310218238 /nfs/dbraw/zinc/21/82/38/310218238.db2.gz NVZFOLRUMAYBFT-KRWDZBQOSA-N 0 0 348.443 3.487 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000452503671 310230510 /nfs/dbraw/zinc/23/05/10/310230510.db2.gz UBIOIHCUFXHVHL-XJKSGUPXSA-N 0 0 343.427 3.456 10 5 EGBERN COC(=O)CCCCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452856741 310245850 /nfs/dbraw/zinc/24/58/50/310245850.db2.gz QDQFIJYMFWFXRG-HNNXBMFYSA-N 0 0 348.399 3.034 10 5 EGBERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870655 310246677 /nfs/dbraw/zinc/24/66/77/310246677.db2.gz ZREZYKBOMKQNRI-CQSZACIVSA-N 0 0 342.399 3.461 10 5 EGBERN CCc1nc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)co1 ZINC000453232596 310265694 /nfs/dbraw/zinc/26/56/94/310265694.db2.gz GTMVBRQHBLFCSQ-UHFFFAOYSA-N 0 0 341.327 3.220 10 5 EGBERN COC1(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCC1 ZINC000453236231 310265807 /nfs/dbraw/zinc/26/58/07/310265807.db2.gz KWCNGQVGKRJSOP-UHFFFAOYSA-N 0 0 344.371 3.115 10 5 EGBERN CCOc1ccccc1CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000453257134 310267234 /nfs/dbraw/zinc/26/72/34/310267234.db2.gz UVBQHILDMSCYJW-UHFFFAOYSA-N 0 0 329.312 3.422 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000454576136 310317755 /nfs/dbraw/zinc/31/77/55/310317755.db2.gz IOODSDFXZOYSOM-IRXDYDNUSA-N 0 0 339.395 3.240 10 5 EGBERN C[C@H](F)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455408341 310359286 /nfs/dbraw/zinc/35/92/86/310359286.db2.gz YPEHOFWZWULESZ-ZETCQYMHSA-N 0 0 334.145 3.227 10 5 EGBERN Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000456097020 310388409 /nfs/dbraw/zinc/38/84/09/310388409.db2.gz INBIPSUWYICDSL-BMFZPTHFSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000456114913 310389135 /nfs/dbraw/zinc/38/91/35/310389135.db2.gz QXVVZQOBPULYTQ-LXZKKBNFSA-N 0 0 332.400 3.059 10 5 EGBERN Cc1cnc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(O)c1 ZINC000456153086 310390903 /nfs/dbraw/zinc/39/09/03/310390903.db2.gz WNEMEYVLIZDEMJ-AWEZNQCLSA-N 0 0 341.367 3.024 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456246692 310394788 /nfs/dbraw/zinc/39/47/88/310394788.db2.gz IISKGBJMEIXQON-SUMWQHHRSA-N 0 0 336.338 3.063 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456699764 310418628 /nfs/dbraw/zinc/41/86/28/310418628.db2.gz SXPLYORUVXOBRO-VQIMIIECSA-N 0 0 346.427 3.193 10 5 EGBERN C[C@H]1CC[C@@](C)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000457700128 310467997 /nfs/dbraw/zinc/46/79/97/310467997.db2.gz HEYUGZSYMLEHRA-SGTLLEGYSA-N 0 0 331.416 3.337 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCC(C(F)F)CC1 ZINC000457912215 310477665 /nfs/dbraw/zinc/47/76/65/310477665.db2.gz GXXXGRODQGXFPF-UHFFFAOYSA-N 0 0 327.331 3.218 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000457919083 310478025 /nfs/dbraw/zinc/47/80/25/310478025.db2.gz CUEGJCSVEVATGR-UHFFFAOYSA-N 0 0 340.660 3.283 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2C[C@H]1CS2 ZINC000458325356 310498248 /nfs/dbraw/zinc/49/82/48/310498248.db2.gz SSCNQLDIDSBBNM-RYUDHWBXSA-N 0 0 347.421 3.048 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000463171673 310609637 /nfs/dbraw/zinc/60/96/37/310609637.db2.gz KJINRIXHKJJBJW-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466972814 310665004 /nfs/dbraw/zinc/66/50/04/310665004.db2.gz ALJZXHYKLVSWKK-UHFFFAOYSA-N 0 0 340.426 3.488 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@@H]1CCCC[C@@H]1O ZINC000473518646 310776344 /nfs/dbraw/zinc/77/63/44/310776344.db2.gz KXQFELXMKUVXKR-GUYCJALGSA-N 0 0 329.400 3.308 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000476874550 310835569 /nfs/dbraw/zinc/83/55/69/310835569.db2.gz YNOBBDSRKWFTPT-GXFFZTMASA-N 0 0 345.321 3.467 10 5 EGBERN O=C(NCC1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478978069 310867590 /nfs/dbraw/zinc/86/75/90/310867590.db2.gz AZERNIFDPMRTCA-UHFFFAOYSA-N 0 0 328.372 3.091 10 5 EGBERN CCc1onc(C)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479472790 310875795 /nfs/dbraw/zinc/87/57/95/310875795.db2.gz NXLNYIVMRFELGK-UHFFFAOYSA-N 0 0 337.763 3.080 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000479768365 310883616 /nfs/dbraw/zinc/88/36/16/310883616.db2.gz PRZAQKCHIYRKCV-GFCCVEGCSA-N 0 0 343.387 3.445 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000487088499 311010467 /nfs/dbraw/zinc/01/04/67/311010467.db2.gz RKJAYNRXWACNQN-CYBMUJFWSA-N 0 0 338.367 3.114 10 5 EGBERN COc1cc(C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000487104503 311011121 /nfs/dbraw/zinc/01/11/21/311011121.db2.gz BETIXLCJULTADA-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487125157 311011540 /nfs/dbraw/zinc/01/15/40/311011540.db2.gz XQYZUYRVPHIBQW-KBPBESRZSA-N 0 0 340.383 3.227 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[C@@H](c4ccccc4)C3)nn21 ZINC000487158993 311012901 /nfs/dbraw/zinc/01/29/01/311012901.db2.gz WAMSUQBRDVLDBM-CABCVRRESA-N 0 0 337.383 3.198 10 5 EGBERN CCc1cc(O)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487704682 311034799 /nfs/dbraw/zinc/03/47/99/311034799.db2.gz DCESDWDSAXHNCO-UHFFFAOYSA-N 0 0 336.294 3.322 10 5 EGBERN C[C@H](CC(=O)OC(C)(C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488092119 311050851 /nfs/dbraw/zinc/05/08/51/311050851.db2.gz DPUJZSLXIPHCFH-LLVKDONJSA-N 0 0 331.372 3.097 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccn(-c2ccccc2)n1 ZINC000488096493 311051076 /nfs/dbraw/zinc/05/10/76/311051076.db2.gz YJRVEYATLWZOKR-UHFFFAOYSA-N 0 0 345.362 3.363 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000489421408 311105440 /nfs/dbraw/zinc/10/54/40/311105440.db2.gz GGMTWUHKSQMLHL-UHFFFAOYSA-N 0 0 334.351 3.161 10 5 EGBERN Cn1c(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000500578646 311928320 /nfs/dbraw/zinc/92/83/20/311928320.db2.gz DCBOQKKKTNPIBC-CABCVRRESA-N 0 0 327.384 3.390 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCCN1CCCc2ccccc21 ZINC000503917647 311996392 /nfs/dbraw/zinc/99/63/92/311996392.db2.gz GZNBTQHLNPHVRP-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN CC(C)N(C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000504105306 312000617 /nfs/dbraw/zinc/00/06/17/312000617.db2.gz UKRSOKZICNZKOG-KRWDZBQOSA-N 0 0 348.374 3.389 10 5 EGBERN O=C(NCCc1cc(F)c(F)c(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000504522432 312007566 /nfs/dbraw/zinc/00/75/66/312007566.db2.gz VQFDBCCSFJYQMR-UHFFFAOYSA-N 0 0 339.273 3.376 10 5 EGBERN Cc1cc(OCC(=O)NC2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000506431652 312049015 /nfs/dbraw/zinc/04/90/15/312049015.db2.gz IECMMHHRXLHTPM-UHFFFAOYSA-N 0 0 326.780 3.384 10 5 EGBERN CCCCCOc1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000507095694 312058489 /nfs/dbraw/zinc/05/84/89/312058489.db2.gz VXDDHXRFHGZJIK-UHFFFAOYSA-N 0 0 345.355 3.450 10 5 EGBERN CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000507504232 312075526 /nfs/dbraw/zinc/07/55/26/312075526.db2.gz XLZWLXOOUWBCMM-QWRGUYRKSA-N 0 0 332.447 3.149 10 5 EGBERN CN(C[C@H]1CC=CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000508777859 312102890 /nfs/dbraw/zinc/10/28/90/312102890.db2.gz IVCIYSNUEPCFRG-ZDUSSCGKSA-N 0 0 327.388 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCCCC2)s1 ZINC000512777968 312194752 /nfs/dbraw/zinc/19/47/52/312194752.db2.gz BACVDZAFFSRTMG-LBPRGKRZSA-N 0 0 344.458 3.390 10 5 EGBERN COC(=O)c1cnc(N[C@H]2C[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000513074157 312201125 /nfs/dbraw/zinc/20/11/25/312201125.db2.gz HKCTWPZWFKPUQL-MQMHXKEQSA-N 0 0 341.367 3.443 10 5 EGBERN CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000516758791 312340295 /nfs/dbraw/zinc/34/02/95/312340295.db2.gz MZPPGDJDXAKHTA-HNNXBMFYSA-N 0 0 325.368 3.398 10 5 EGBERN O=C([C@@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000517165383 312366083 /nfs/dbraw/zinc/36/60/83/312366083.db2.gz KQGURVYNIBCIFV-OLZOCXBDSA-N 0 0 335.379 3.327 10 5 EGBERN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)cnn1CCC(C)C ZINC000519741485 312474823 /nfs/dbraw/zinc/47/48/23/312474823.db2.gz WGURUOBOMNVHER-UHFFFAOYSA-N 0 0 331.376 3.047 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000519890420 312486315 /nfs/dbraw/zinc/48/63/15/312486315.db2.gz YVIXYCDGCOYYEY-UHFFFAOYSA-N 0 0 326.399 3.180 10 5 EGBERN CC(=O)Nc1cccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000521430582 312545654 /nfs/dbraw/zinc/54/56/54/312545654.db2.gz TUYMYZPYRABNHA-UHFFFAOYSA-N 0 0 340.383 3.439 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C(C)(C)C)on1 ZINC000525666397 312739103 /nfs/dbraw/zinc/73/91/03/312739103.db2.gz FNCZGQHVVBPRAI-SNVBAGLBSA-N 0 0 329.356 3.472 10 5 EGBERN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000527182665 312837910 /nfs/dbraw/zinc/83/79/10/312837910.db2.gz OCONITSXPFGAPA-ZIAGYGMSSA-N 0 0 331.416 3.454 10 5 EGBERN O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628963 313693506 /nfs/dbraw/zinc/69/35/06/313693506.db2.gz HBRMDFNJAWNAHN-UHFFFAOYSA-N 0 0 331.759 3.105 10 5 EGBERN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532136834 313759570 /nfs/dbraw/zinc/75/95/70/313759570.db2.gz DGDHZBIWTCUXKI-UHFFFAOYSA-N 0 0 343.339 3.152 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(CC(F)(F)F)c1ccccc1 ZINC000532392971 313793403 /nfs/dbraw/zinc/79/34/03/313793403.db2.gz RRJRVOXDJFFYDT-UHFFFAOYSA-N 0 0 325.246 3.199 10 5 EGBERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000537138242 314163514 /nfs/dbraw/zinc/16/35/14/314163514.db2.gz FNMKNLDOQUMITA-NSHDSACASA-N 0 0 330.340 3.103 10 5 EGBERN COc1cc(CN2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605583 314194883 /nfs/dbraw/zinc/19/48/83/314194883.db2.gz VVMYSRTVVAEDGW-GFCCVEGCSA-N 0 0 348.321 3.147 10 5 EGBERN O=C(CCc1ccc(Cl)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538683110 314263661 /nfs/dbraw/zinc/26/36/61/314263661.db2.gz AHTPMPUXFXWJAB-UHFFFAOYSA-N 0 0 345.786 3.161 10 5 EGBERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000539348295 314308352 /nfs/dbraw/zinc/30/83/52/314308352.db2.gz CPXOKNCDBBFRBU-UGSOOPFHSA-N 0 0 340.379 3.393 10 5 EGBERN O=C(NCCCC1CC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539811219 314341362 /nfs/dbraw/zinc/34/13/62/314341362.db2.gz MNEMKESHYBYMIL-UHFFFAOYSA-N 0 0 325.796 3.280 10 5 EGBERN CCOc1ccc(C(=O)NCCCc2cccs2)cc1[N+](=O)[O-] ZINC000539903188 314349874 /nfs/dbraw/zinc/34/98/74/314349874.db2.gz FDMMLBXWQWAFIU-UHFFFAOYSA-N 0 0 334.397 3.418 10 5 EGBERN CNc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000541766214 314486512 /nfs/dbraw/zinc/48/65/12/314486512.db2.gz ZBFDIWMKPTWDSI-KRWDZBQOSA-N 0 0 347.415 3.058 10 5 EGBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000543132481 314606227 /nfs/dbraw/zinc/60/62/27/314606227.db2.gz DEJYDTAHRMLDPW-UHFFFAOYSA-N 0 0 334.401 3.341 10 5 EGBERN C[C@H](C(=O)Nc1cccc(CCCO)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544589776 314705507 /nfs/dbraw/zinc/70/55/07/314705507.db2.gz XOZUWLHMXBMFJW-LBPRGKRZSA-N 0 0 346.358 3.401 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(Cc3ccc(F)cc3Cl)n2)nc1 ZINC000545072887 314732975 /nfs/dbraw/zinc/73/29/75/314732975.db2.gz AERAAMATEOVDOB-UHFFFAOYSA-N 0 0 348.721 3.347 10 5 EGBERN CCOCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000545635905 314773691 /nfs/dbraw/zinc/77/36/91/314773691.db2.gz AYINUAKCDGZZOJ-UHFFFAOYSA-N 0 0 326.312 3.243 10 5 EGBERN Cn1ncc2ccc(-c3noc(-c4ccc(F)cc4[N+](=O)[O-])n3)cc21 ZINC000546415982 314826076 /nfs/dbraw/zinc/82/60/76/314826076.db2.gz FEPDFHZTNYOQCV-UHFFFAOYSA-N 0 0 339.286 3.338 10 5 EGBERN Cn1cnc2cc(-c3noc(CCc4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000547140198 314877088 /nfs/dbraw/zinc/87/70/88/314877088.db2.gz SRHTZMXJMZQVIB-UHFFFAOYSA-N 0 0 349.350 3.317 10 5 EGBERN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551724712 315165444 /nfs/dbraw/zinc/16/54/44/315165444.db2.gz VIZHOYDBSGWPQA-AWEZNQCLSA-N 0 0 339.823 3.129 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551966875 315183443 /nfs/dbraw/zinc/18/34/43/315183443.db2.gz LOQYEGPSHINPCZ-OCAPTIKFSA-N 0 0 328.166 3.372 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553108591 315245454 /nfs/dbraw/zinc/24/54/54/315245454.db2.gz PICZGBZCJJVTHF-LBPRGKRZSA-N 0 0 331.347 3.433 10 5 EGBERN CN1CCc2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)cc21 ZINC000553518515 315268382 /nfs/dbraw/zinc/26/83/82/315268382.db2.gz GBHQBZBOCNRGMS-UHFFFAOYSA-N 0 0 327.369 3.335 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])c1ncnc2c(F)cccc21 ZINC000553608285 315272927 /nfs/dbraw/zinc/27/29/27/315272927.db2.gz ZLZSCYPVGHJFBB-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN Cc1cc(N(C)C)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554694643 315343153 /nfs/dbraw/zinc/34/31/53/315343153.db2.gz OFIZSJAHUJRZDU-UHFFFAOYSA-N 0 0 349.337 3.429 10 5 EGBERN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000554696791 315343232 /nfs/dbraw/zinc/34/32/32/315343232.db2.gz CNYRDGYHKJBBLA-PXAZEXFGSA-N 0 0 343.358 3.335 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000555263343 315376593 /nfs/dbraw/zinc/37/65/93/315376593.db2.gz JFCKIMQWHXCXMD-UXIGCNINSA-N 0 0 336.779 3.275 10 5 EGBERN COC1(c2ccccc2)CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000557770351 315532694 /nfs/dbraw/zinc/53/26/94/315532694.db2.gz HVUBGDNVRNZILA-CQSZACIVSA-N 0 0 340.379 3.082 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000559002264 315614303 /nfs/dbraw/zinc/61/43/03/315614303.db2.gz VNXSNDNJUBYZRA-ROUUACIJSA-N 0 0 325.368 3.291 10 5 EGBERN CC[C@@H]1CCCCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562907441 315919026 /nfs/dbraw/zinc/91/90/26/315919026.db2.gz ODADPCTUCGYEEY-CQSZACIVSA-N 0 0 335.404 3.468 10 5 EGBERN CCOc1ccc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000563461322 316025457 /nfs/dbraw/zinc/02/54/57/316025457.db2.gz AECRAHFOSRIZKT-CQSZACIVSA-N 0 0 347.367 3.121 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000563862307 316081302 /nfs/dbraw/zinc/08/13/02/316081302.db2.gz DMWZJQHSPGAWAE-GOSISDBHSA-N 0 0 344.342 3.071 10 5 EGBERN COc1cc(C)cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000564069391 316108354 /nfs/dbraw/zinc/10/83/54/316108354.db2.gz DMSCMMJUQHXYAE-ZDUSSCGKSA-N 0 0 328.368 3.332 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1C1CCC1 ZINC000564323073 316136125 /nfs/dbraw/zinc/13/61/25/316136125.db2.gz WBOWJBTWVZYQOR-DOTOQJQBSA-N 0 0 342.399 3.106 10 5 EGBERN COCC1(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000565009823 316247239 /nfs/dbraw/zinc/24/72/39/316247239.db2.gz NSBSPPXJMVFNJX-UHFFFAOYSA-N 0 0 334.416 3.439 10 5 EGBERN O=C([C@H]1CCCC[C@@H]1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565022413 316250502 /nfs/dbraw/zinc/25/05/02/316250502.db2.gz ZKFLYNJTJASALR-CVEARBPZSA-N 0 0 329.400 3.091 10 5 EGBERN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC000565055899 316257532 /nfs/dbraw/zinc/25/75/32/316257532.db2.gz FBPJBIPKCQJSEH-UHFFFAOYSA-N 0 0 329.404 3.356 10 5 EGBERN CC[C@@H]1CCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565561096 316339841 /nfs/dbraw/zinc/33/98/41/316339841.db2.gz ONYWUMNIYVFXKG-MLGOLLRUSA-N 0 0 344.415 3.497 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCC(=O)C2CCC(F)(F)CC2)c1 ZINC000565774010 316368562 /nfs/dbraw/zinc/36/85/62/316368562.db2.gz GNCGQCPSKIRAKL-UHFFFAOYSA-N 0 0 329.299 3.377 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Cl)c[nH]1 ZINC000569341803 316900121 /nfs/dbraw/zinc/90/01/21/316900121.db2.gz SJVVBTDPVLQSMY-UHFFFAOYSA-N 0 0 332.747 3.030 10 5 EGBERN CCc1cnccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570443358 317056013 /nfs/dbraw/zinc/05/60/13/317056013.db2.gz VYPHHPBVQXUDFY-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN Cc1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C2CC2)n1 ZINC000570532325 317070715 /nfs/dbraw/zinc/07/07/15/317070715.db2.gz YVEAUQZVPQJMIT-UHFFFAOYSA-N 0 0 337.339 3.304 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000570959233 317133037 /nfs/dbraw/zinc/13/30/37/317133037.db2.gz YETYESWMKUPUIN-NEPJUHHUSA-N 0 0 340.387 3.343 10 5 EGBERN CSc1nnc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)s1 ZINC000571518733 317210665 /nfs/dbraw/zinc/21/06/65/317210665.db2.gz JIZJXUHMAJDKOV-UHFFFAOYSA-N 0 0 337.430 3.054 10 5 EGBERN O=c1[nH]cnc2cc(NC[C@@H]3CC34CCSCC4)c([N+](=O)[O-])cc21 ZINC000573791801 317529041 /nfs/dbraw/zinc/52/90/41/317529041.db2.gz VLJICWHXQYEKAQ-JTQLQIEISA-N 0 0 346.412 3.189 10 5 EGBERN CN(C(=O)COc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000573956309 317546335 /nfs/dbraw/zinc/54/63/35/317546335.db2.gz WXWQECYNJYWSMQ-UHFFFAOYSA-N 0 0 343.383 3.329 10 5 EGBERN CC(C)Oc1nc(N[C@@H](c2cccnc2)C2CC2)ccc1[N+](=O)[O-] ZINC000574704709 317627641 /nfs/dbraw/zinc/62/76/41/317627641.db2.gz ZVNGBCQCMHPPCH-MRXNPFEDSA-N 0 0 328.372 3.157 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1nccn1Cc1ccccc1 ZINC000178950354 323362950 /nfs/dbraw/zinc/36/29/50/323362950.db2.gz MPQYPMYTWPEBHG-UHFFFAOYSA-N 0 0 334.379 3.402 10 5 EGBERN CC[C@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000181437634 323482695 /nfs/dbraw/zinc/48/26/95/323482695.db2.gz YWWVZFNRXDOFKV-JTQLQIEISA-N 0 0 349.412 3.467 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184657855 323670096 /nfs/dbraw/zinc/67/00/96/323670096.db2.gz ZURUPMHOBWVSRO-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1ccc(F)cc1 ZINC000193399793 323836478 /nfs/dbraw/zinc/83/64/78/323836478.db2.gz GTHSXATURSGXNO-UHFFFAOYSA-N 0 0 347.346 3.084 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cscn4)no3)c2c1 ZINC000350553164 324089866 /nfs/dbraw/zinc/08/98/66/324089866.db2.gz OHCUEFWSFKNYIF-UHFFFAOYSA-N 0 0 327.325 3.173 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000350613515 324107773 /nfs/dbraw/zinc/10/77/73/324107773.db2.gz XGVVJQBAENNUFB-KOLCDFICSA-N 0 0 328.328 3.266 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000350795723 324120700 /nfs/dbraw/zinc/12/07/00/324120700.db2.gz SPMKECZOBUOIFC-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN O=[N+]([O-])c1ccc(NCCCc2nc(-c3cncs3)no2)cc1 ZINC000350913251 324138310 /nfs/dbraw/zinc/13/83/10/324138310.db2.gz YMGMDBYSNWZJGV-UHFFFAOYSA-N 0 0 331.357 3.146 10 5 EGBERN CO[C@@H](C)c1nc(C)c(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)s1 ZINC000351140620 324179420 /nfs/dbraw/zinc/17/94/20/324179420.db2.gz BPEUJBHSQKSNCM-ZETCQYMHSA-N 0 0 336.329 3.377 10 5 EGBERN CCc1ccc(S(=O)(=O)N(CC)c2cccnc2C)cc1[N+](=O)[O-] ZINC000578526353 324982925 /nfs/dbraw/zinc/98/29/25/324982925.db2.gz FEMGUZCNMFZJOK-UHFFFAOYSA-N 0 0 349.412 3.076 10 5 EGBERN Cc1ccnc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000579402427 325104029 /nfs/dbraw/zinc/10/40/29/325104029.db2.gz PKXDQRCYWXPYCL-UHFFFAOYSA-N 0 0 339.355 3.144 10 5 EGBERN CC(C)(c1ccccc1)C1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000580041488 325193918 /nfs/dbraw/zinc/19/39/18/325193918.db2.gz INNIFZWTRYNSOS-UHFFFAOYSA-N 0 0 325.368 3.230 10 5 EGBERN CCC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000580795940 325296289 /nfs/dbraw/zinc/29/62/89/325296289.db2.gz DXEYZEPQRCKQOK-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN CN(C)C(=O)c1cccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000581485491 325365256 /nfs/dbraw/zinc/36/52/56/325365256.db2.gz YCHQYUKOUODRFB-UHFFFAOYSA-N 0 0 341.367 3.363 10 5 EGBERN CCn1c(SC[C@@H](OC)C2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000582062091 325411060 /nfs/dbraw/zinc/41/10/60/325411060.db2.gz QBQRFNAWFYCDSP-CQSZACIVSA-N 0 0 348.428 3.390 10 5 EGBERN Cn1c(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)nnc1C(F)F ZINC000583437275 325524322 /nfs/dbraw/zinc/52/43/22/325524322.db2.gz DSEOHRORMYUWCV-UHFFFAOYSA-N 0 0 341.343 3.086 10 5 EGBERN Cc1cc(F)ccc1Cc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000583910985 325561167 /nfs/dbraw/zinc/56/11/67/325561167.db2.gz IXTSEJGCHAZLCO-UHFFFAOYSA-N 0 0 328.303 3.387 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189573136 455219649 /nfs/dbraw/zinc/21/96/49/455219649.db2.gz KZDIHSMAOZWJCM-SECBINFHSA-N 0 0 335.747 3.143 10 5 EGBERN CO[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000189770441 455238947 /nfs/dbraw/zinc/23/89/47/455238947.db2.gz UYFTXKLRYUXEIQ-WPRPVWTQSA-N 0 0 347.293 3.303 10 5 EGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173205514 455247315 /nfs/dbraw/zinc/24/73/15/455247315.db2.gz QBFKPWAHSQIDGH-UWVGGRQHSA-N 0 0 332.809 3.057 10 5 EGBERN O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000000041701 452496242 /nfs/dbraw/zinc/49/62/42/452496242.db2.gz YQROCDFVNMMSSK-UHFFFAOYSA-N 0 0 334.715 3.272 10 5 EGBERN Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183645966 455316611 /nfs/dbraw/zinc/31/66/11/455316611.db2.gz CTXCUHIOQQJNPU-ZDUSSCGKSA-N 0 0 328.372 3.393 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600774345 460598564 /nfs/dbraw/zinc/59/85/64/460598564.db2.gz JXFRPACVBOHNLE-AWEZNQCLSA-N 0 0 326.352 3.239 10 5 EGBERN C[C@H](C(=O)N1CC[C@@H](c2ccc(O)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600776743 460600039 /nfs/dbraw/zinc/60/00/39/460600039.db2.gz RMVDJIAUPKJPMY-XJKSGUPXSA-N 0 0 340.379 3.420 10 5 EGBERN O=C(NC[C@H]1CCCC12CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600803492 460609893 /nfs/dbraw/zinc/60/98/93/460609893.db2.gz JUPIOJRGWLQYLZ-CQSZACIVSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1csc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236537 455365012 /nfs/dbraw/zinc/36/50/12/455365012.db2.gz NJLOJDXPUBJGIW-QWRGUYRKSA-N 0 0 334.401 3.038 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000026851964 453806436 /nfs/dbraw/zinc/80/64/36/453806436.db2.gz POSXZETUNHBTDX-HNNXBMFYSA-N 0 0 339.395 3.114 10 5 EGBERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000029940152 453832727 /nfs/dbraw/zinc/83/27/27/453832727.db2.gz OUMZMXOXBCSZGE-QMMMGPOBSA-N 0 0 346.817 3.349 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000066692606 453862973 /nfs/dbraw/zinc/86/29/73/453862973.db2.gz JKKFFRITWBJNRC-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CCOc1c(OC)cc(CNc2ccncc2[N+](=O)[O-])cc1OC ZINC000066811366 453876556 /nfs/dbraw/zinc/87/65/56/453876556.db2.gz YCTBZDAUSHFRHZ-UHFFFAOYSA-N 0 0 333.344 3.018 10 5 EGBERN Cc1sc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000081612982 453896429 /nfs/dbraw/zinc/89/64/29/453896429.db2.gz PCYFYGBUEZQJNT-NSHDSACASA-N 0 0 345.424 3.445 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047143 453897004 /nfs/dbraw/zinc/89/70/04/453897004.db2.gz RGXDGXNCYFZJIG-GFCCVEGCSA-N 0 0 331.397 3.380 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067059159 453898161 /nfs/dbraw/zinc/89/81/61/453898161.db2.gz VNJXVLQHKZNZML-FUHWJXTLSA-N 0 0 348.362 3.066 10 5 EGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1ccccc1 ZINC000033648734 453916574 /nfs/dbraw/zinc/91/65/74/453916574.db2.gz XLXXMJVOUCDRHX-UHFFFAOYSA-N 0 0 347.396 3.123 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645935 453940838 /nfs/dbraw/zinc/94/08/38/453940838.db2.gz XPHSIJZUNVQGPL-CYBMUJFWSA-N 0 0 343.383 3.206 10 5 EGBERN COc1cc(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000067662584 453954566 /nfs/dbraw/zinc/95/45/66/453954566.db2.gz YCWUGFNXOHHBIG-UHFFFAOYSA-N 0 0 345.355 3.242 10 5 EGBERN COc1ccc(CC(=O)Nc2cccc([C@@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000067834726 453971713 /nfs/dbraw/zinc/97/17/13/453971713.db2.gz FPWXYABPHPMZHU-GFCCVEGCSA-N 0 0 344.367 3.492 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000076399482 453997444 /nfs/dbraw/zinc/99/74/44/453997444.db2.gz LZZVJQQABOFKKS-LBPRGKRZSA-N 0 0 331.338 3.226 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(SC)cc1 ZINC000055747056 454011597 /nfs/dbraw/zinc/01/15/97/454011597.db2.gz ROMUNGBCSRJAFH-UHFFFAOYSA-N 0 0 332.381 3.255 10 5 EGBERN COc1cccc(C[C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087281183 454075019 /nfs/dbraw/zinc/07/50/19/454075019.db2.gz UVNQAMSIMKDADK-AWEZNQCLSA-N 0 0 342.395 3.283 10 5 EGBERN CCN(CC)C(=O)CCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087378045 454081640 /nfs/dbraw/zinc/08/16/40/454081640.db2.gz BOKHKBJHVHKGGB-CYBMUJFWSA-N 0 0 336.388 3.156 10 5 EGBERN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044398343 454100108 /nfs/dbraw/zinc/10/01/08/454100108.db2.gz WXOXFUJXZYCXHB-RVKKMQEKSA-N 0 0 336.347 3.304 10 5 EGBERN Cc1csc(N2CCCN(c3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000057148493 454105916 /nfs/dbraw/zinc/10/59/16/454105916.db2.gz JCFJMRTXQODBHX-UHFFFAOYSA-N 0 0 336.392 3.216 10 5 EGBERN CN(C)C(=O)Nc1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069581391 454121351 /nfs/dbraw/zinc/12/13/51/454121351.db2.gz CTTSSAOWWWCCFD-UHFFFAOYSA-N 0 0 346.318 3.080 10 5 EGBERN COc1ccc(CN(C)[C@@H](C)c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000069580624 454121513 /nfs/dbraw/zinc/12/15/13/454121513.db2.gz GYPIDUSGZLBUHA-NSHDSACASA-N 0 0 334.376 3.303 10 5 EGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 ZINC000045241087 454147265 /nfs/dbraw/zinc/14/72/65/454147265.db2.gz JXTVVKCAIQWTRM-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN Cc1nnc([C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)[nH]1 ZINC000057840187 454151264 /nfs/dbraw/zinc/15/12/64/454151264.db2.gz LMRPUTFBUSYIJY-HNNXBMFYSA-N 0 0 327.319 3.362 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000045413625 454158644 /nfs/dbraw/zinc/15/86/44/454158644.db2.gz RTQTVDMQHRCIJM-UHFFFAOYSA-N 0 0 347.321 3.381 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000089601901 454166645 /nfs/dbraw/zinc/16/66/45/454166645.db2.gz CBAYTNLGZZMAQA-SFHVURJKSA-N 0 0 344.367 3.025 10 5 EGBERN CCc1ccc(CN2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)s1 ZINC000077985890 454174843 /nfs/dbraw/zinc/17/48/43/454174843.db2.gz WLOPPEMUJYXONF-UHFFFAOYSA-N 0 0 346.456 3.244 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2ccccc2)no1 ZINC000045775747 454180346 /nfs/dbraw/zinc/18/03/46/454180346.db2.gz HCIREJARPAFEDB-UHFFFAOYSA-N 0 0 337.335 3.109 10 5 EGBERN CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130683792 454213399 /nfs/dbraw/zinc/21/33/99/454213399.db2.gz JFCGFONMLCFJHT-NSHDSACASA-N 0 0 334.401 3.121 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000058727096 454228999 /nfs/dbraw/zinc/22/89/99/454228999.db2.gz OMKCLCFITYRYFU-XHDPSFHLSA-N 0 0 344.392 3.325 10 5 EGBERN C[C@H](OCCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000089905756 454231074 /nfs/dbraw/zinc/23/10/74/454231074.db2.gz BNIZLWCURSPPNC-ZDUSSCGKSA-N 0 0 341.371 3.217 10 5 EGBERN O=[N+]([O-])c1c(F)cccc1NCCc1csc(N2CCCC2)n1 ZINC000078340379 454235673 /nfs/dbraw/zinc/23/56/73/454235673.db2.gz AXFPKQKJPMTGDA-UHFFFAOYSA-N 0 0 336.392 3.445 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1ccccn1 ZINC000071903397 454250113 /nfs/dbraw/zinc/25/01/13/454250113.db2.gz UKXQYGQXIHCDSR-ZDUSSCGKSA-N 0 0 325.368 3.290 10 5 EGBERN COc1ccc(OC)c([C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c1 ZINC000078435141 454253832 /nfs/dbraw/zinc/25/38/32/454253832.db2.gz WWGDWZHNKUTBRS-HNNXBMFYSA-N 0 0 329.356 3.349 10 5 EGBERN CCn1nc(C)c(Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])c1C ZINC000078452485 454255835 /nfs/dbraw/zinc/25/58/35/454255835.db2.gz SXBDLOZGHMAUML-VQHVLOKHSA-N 0 0 344.371 3.358 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1O ZINC000612449041 460631308 /nfs/dbraw/zinc/63/13/08/460631308.db2.gz AJAZTKXJNNCROY-GOEBONIOSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000120246386 454277499 /nfs/dbraw/zinc/27/74/99/454277499.db2.gz FWSCNZQCLRPKOF-CQSZACIVSA-N 0 0 334.420 3.208 10 5 EGBERN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000072302973 454292207 /nfs/dbraw/zinc/29/22/07/454292207.db2.gz RSSMTSZYEOKSET-STQMWFEESA-N 0 0 333.731 3.131 10 5 EGBERN CC[C@H](NC(=O)N1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685904 454335734 /nfs/dbraw/zinc/33/57/34/454335734.db2.gz BJYCVXXKUDUDJI-INIZCTEOSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000090687946 454336209 /nfs/dbraw/zinc/33/62/09/454336209.db2.gz SICOUFGRIAONJK-LSDHHAIUSA-N 0 0 349.412 3.140 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](C4CCCCC4)C3)c21 ZINC000612457925 460633230 /nfs/dbraw/zinc/63/32/30/460633230.db2.gz VRWDDAIIJCTYEP-INIZCTEOSA-N 0 0 342.399 3.324 10 5 EGBERN Cc1cc([C@@H]2CCCN2C(=O)/C=C\c2cccc([N+](=O)[O-])c2)no1 ZINC000097002950 454386162 /nfs/dbraw/zinc/38/61/62/454386162.db2.gz DNKZPANVUSBEBI-PTZVLDCSSA-N 0 0 327.340 3.268 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)/C=C\c2cccc([N+](=O)[O-])c2)no1 ZINC000097002951 454386535 /nfs/dbraw/zinc/38/65/35/454386535.db2.gz DNKZPANVUSBEBI-XITLMJRVSA-N 0 0 327.340 3.268 10 5 EGBERN CO[C@]1(C)C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000073275280 454415148 /nfs/dbraw/zinc/41/51/48/454415148.db2.gz TYOWGUWPLJESFM-WMLDXEAASA-N 0 0 331.372 3.010 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000121325174 454421168 /nfs/dbraw/zinc/42/11/68/454421168.db2.gz RASAPARTVSHUQL-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000133681311 454454013 /nfs/dbraw/zinc/45/40/13/454454013.db2.gz MGIKOYGDOABYSS-OAHLLOKOSA-N 0 0 348.399 3.422 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000064243284 454469314 /nfs/dbraw/zinc/46/93/14/454469314.db2.gz JORMEHHMVUVJCN-VIFPVBQESA-N 0 0 344.439 3.244 10 5 EGBERN Cc1nc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1C ZINC000101947945 454489094 /nfs/dbraw/zinc/48/90/94/454489094.db2.gz JZCPJFYUXYVUFL-CHWSQXEVSA-N 0 0 336.779 3.232 10 5 EGBERN COc1cc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1F ZINC000134050550 454498170 /nfs/dbraw/zinc/49/81/70/454498170.db2.gz RXKDIKYVVDJSSE-ABAIWWIYSA-N 0 0 334.351 3.027 10 5 EGBERN NC(=O)c1ccc(N2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000079941948 454502550 /nfs/dbraw/zinc/50/25/50/454502550.db2.gz LJAURYCGLJWVEB-OAHLLOKOSA-N 0 0 343.358 3.044 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCOCc1ccccc1 ZINC000103375071 454551319 /nfs/dbraw/zinc/55/13/19/454551319.db2.gz FRRINLABWGLDNL-AWEZNQCLSA-N 0 0 340.379 3.479 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(F)c1 ZINC000103377009 454552139 /nfs/dbraw/zinc/55/21/39/454552139.db2.gz NRHFBNWCIVKRLH-JTQLQIEISA-N 0 0 330.315 3.334 10 5 EGBERN CCO[C@@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000074293377 454557823 /nfs/dbraw/zinc/55/78/23/454557823.db2.gz KYGLCPPYVGNPAR-INIZCTEOSA-N 0 0 333.388 3.257 10 5 EGBERN Cc1sc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134571361 454561944 /nfs/dbraw/zinc/56/19/44/454561944.db2.gz RZEIEWYIOFPQDZ-WCQYABFASA-N 0 0 326.418 3.026 10 5 EGBERN CCc1cnc(CCNc2cc(OC)cc(F)c2[N+](=O)[O-])s1 ZINC000080652254 454612167 /nfs/dbraw/zinc/61/21/67/454612167.db2.gz LBXSGYBTZNHCIG-UHFFFAOYSA-N 0 0 325.365 3.416 10 5 EGBERN C[C@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000074660774 454614854 /nfs/dbraw/zinc/61/48/54/454614854.db2.gz LDPRJIARYDIOJZ-ZDUSSCGKSA-N 0 0 328.372 3.185 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814397 454627189 /nfs/dbraw/zinc/62/71/89/454627189.db2.gz ZZZNUJJWGGVMHH-KKNUOHPOSA-N 0 0 330.384 3.011 10 5 EGBERN C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000974 454648748 /nfs/dbraw/zinc/64/87/48/454648748.db2.gz IGOMJVNFRUFCTK-VIFPVBQESA-N 0 0 344.389 3.177 10 5 EGBERN CCCC(=O)N[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000080976398 454662857 /nfs/dbraw/zinc/66/28/57/454662857.db2.gz WWXQGPZDOWLCES-CQSZACIVSA-N 0 0 342.399 3.028 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000081010545 454669929 /nfs/dbraw/zinc/66/99/29/454669929.db2.gz GWFMJMAGBQFONP-OAHLLOKOSA-N 0 0 341.411 3.179 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000052430894 454672580 /nfs/dbraw/zinc/67/25/80/454672580.db2.gz QPCOEBIZDTXKHW-SNVBAGLBSA-N 0 0 338.770 3.332 10 5 EGBERN Cc1nn(C[C@@H](O)Cc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000152721323 454717295 /nfs/dbraw/zinc/71/72/95/454717295.db2.gz JJZQGBBAMZDGDK-LBPRGKRZSA-N 0 0 343.305 3.031 10 5 EGBERN COC(=O)[C@H](c1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153052124 454756341 /nfs/dbraw/zinc/75/63/41/454756341.db2.gz MXDKWWXIYDZZPL-KRWDZBQOSA-N 0 0 344.342 3.006 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000162342426 454768884 /nfs/dbraw/zinc/76/88/84/454768884.db2.gz RAWUPSQOCVXDIV-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN C[C@H](C(=O)N(C)C1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194353 454769525 /nfs/dbraw/zinc/76/95/25/454769525.db2.gz OPAFHWAVIYLFGU-CQSZACIVSA-N 0 0 345.443 3.133 10 5 EGBERN CCOC[C@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000176686662 454771714 /nfs/dbraw/zinc/77/17/14/454771714.db2.gz UGODDUPLXUEWCH-XJKSGUPXSA-N 0 0 335.404 3.114 10 5 EGBERN CC[C@@H](NC(=O)N(C)Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000176695497 454772336 /nfs/dbraw/zinc/77/23/36/454772336.db2.gz XOMUZPCPYKJZRH-CYBMUJFWSA-N 0 0 334.401 3.344 10 5 EGBERN CCCCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(C)C ZINC000176883576 454794755 /nfs/dbraw/zinc/79/47/55/454794755.db2.gz JXXRKZTZPHCFHG-CABCVRRESA-N 0 0 335.404 3.012 10 5 EGBERN CCc1onc(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176921186 454799931 /nfs/dbraw/zinc/79/99/31/454799931.db2.gz UIHJNDMAYLGYEC-UHFFFAOYSA-N 0 0 326.312 3.254 10 5 EGBERN CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125266090 454809356 /nfs/dbraw/zinc/80/93/56/454809356.db2.gz CNJGBSGOIDHEDJ-PWSUYJOCSA-N 0 0 344.458 3.084 10 5 EGBERN Cc1cnn([C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058892 454816787 /nfs/dbraw/zinc/81/67/87/454816787.db2.gz GIWMSTQNKSBQRU-CQSZACIVSA-N 0 0 341.371 3.078 10 5 EGBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000163200855 454829895 /nfs/dbraw/zinc/82/98/95/454829895.db2.gz NDINQUUJNHAMPQ-OAHLLOKOSA-N 0 0 343.387 3.277 10 5 EGBERN CN(Cc1nc2ccccc2n1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153807284 454835810 /nfs/dbraw/zinc/83/58/10/454835810.db2.gz XJJSWMZDOLSGTB-UHFFFAOYSA-N 0 0 331.763 3.166 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000177206079 454836693 /nfs/dbraw/zinc/83/66/93/454836693.db2.gz PRMODFGOFYVOQG-CZUORRHYSA-N 0 0 344.367 3.225 10 5 EGBERN CC[C@H](NC(=O)[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000177356811 454855868 /nfs/dbraw/zinc/85/58/68/454855868.db2.gz HQEAPAXYFVSUQD-QWHCGFSZSA-N 0 0 326.443 3.011 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000177356784 454855928 /nfs/dbraw/zinc/85/59/28/454855928.db2.gz HQEAPAXYFVSUQD-STQMWFEESA-N 0 0 326.443 3.011 10 5 EGBERN Cc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000164327627 454879609 /nfs/dbraw/zinc/87/96/09/454879609.db2.gz CCROYANNVHREHE-UHFFFAOYSA-N 0 0 340.383 3.172 10 5 EGBERN Cc1c(Br)c(NCC[C@@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165732576 454904028 /nfs/dbraw/zinc/90/40/28/454904028.db2.gz KEPCHYUIWROWAG-VIFPVBQESA-N 0 0 330.182 3.042 10 5 EGBERN Cc1ccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000154687218 454919857 /nfs/dbraw/zinc/91/98/57/454919857.db2.gz GLSJDLOQTCROLR-CJNGLKHVSA-N 0 0 335.404 3.356 10 5 EGBERN CSCCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000170771238 454974466 /nfs/dbraw/zinc/97/44/66/454974466.db2.gz DARWJIQYMWFYPA-UHFFFAOYSA-N 0 0 331.397 3.456 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC1CC1 ZINC000127763828 454995675 /nfs/dbraw/zinc/99/56/75/454995675.db2.gz OPOSAEIONWRQCS-JTQLQIEISA-N 0 0 326.780 3.322 10 5 EGBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151651900 455012121 /nfs/dbraw/zinc/01/21/21/455012121.db2.gz XMQAAASBRKQECV-PXAZEXFGSA-N 0 0 326.352 3.059 10 5 EGBERN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000115668626 455025461 /nfs/dbraw/zinc/02/54/61/455025461.db2.gz BABBTYTVJRWAPD-ZDUSSCGKSA-N 0 0 328.372 3.283 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167132 455040167 /nfs/dbraw/zinc/04/01/67/455040167.db2.gz CRIVFPYXHDZCLP-CYBMUJFWSA-N 0 0 345.374 3.207 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179824340 455085005 /nfs/dbraw/zinc/08/50/05/455085005.db2.gz DYBIZRBJMXQRSZ-UHFFFAOYSA-N 0 0 347.281 3.364 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000156218505 455094275 /nfs/dbraw/zinc/09/42/75/455094275.db2.gz MGZYOKMKUGNVCN-ZDUSSCGKSA-N 0 0 328.368 3.360 10 5 EGBERN CC(=O)c1ccc(OCc2csc(N(C)C3CC3)n2)c([N+](=O)[O-])c1 ZINC000119109978 455126004 /nfs/dbraw/zinc/12/60/04/455126004.db2.gz UGWNJQKBDXRPTG-UHFFFAOYSA-N 0 0 347.396 3.432 10 5 EGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H](OCC)C23CCC3)cc1[N+](=O)[O-] ZINC000152500297 455127534 /nfs/dbraw/zinc/12/75/34/455127534.db2.gz PCQPNTVEJLYLGQ-CVEARBPZSA-N 0 0 348.399 3.071 10 5 EGBERN CCn1cnnc1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177704 455132884 /nfs/dbraw/zinc/13/28/84/455132884.db2.gz NOXDOSCCWCHWOY-GFCCVEGCSA-N 0 0 349.822 3.239 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2cccc(O)c21 ZINC000182927933 455193706 /nfs/dbraw/zinc/19/37/06/455193706.db2.gz WWYPVWATHQQIGF-UHFFFAOYSA-N 0 0 337.335 3.375 10 5 EGBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@]2(CC=CCC2)C1 ZINC000181241812 455306088 /nfs/dbraw/zinc/30/60/88/455306088.db2.gz QLXIOLJYHDPNJV-GOSISDBHSA-N 0 0 344.367 3.286 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](C)C2 ZINC000183614101 455312527 /nfs/dbraw/zinc/31/25/27/455312527.db2.gz OEKUMWKBYOVBES-BZNIZROVSA-N 0 0 326.356 3.353 10 5 EGBERN Cc1ccc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCO2)o1 ZINC000158633392 455317756 /nfs/dbraw/zinc/31/77/56/455317756.db2.gz MPOSRCMFYCTQJF-INIZCTEOSA-N 0 0 343.339 3.211 10 5 EGBERN Cc1cc(NC(=O)c2ccncc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000183692758 455322129 /nfs/dbraw/zinc/32/21/29/455322129.db2.gz FBVYZKZHNAOGNP-UHFFFAOYSA-N 0 0 326.287 3.238 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@H]1c1ncon1 ZINC000184182282 455359782 /nfs/dbraw/zinc/35/97/82/455359782.db2.gz DZKOUPHKOOIXPY-AWEZNQCLSA-N 0 0 330.344 3.044 10 5 EGBERN C[C@H](N[C@@H](C[S@@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245923103 455400197 /nfs/dbraw/zinc/40/01/97/455400197.db2.gz YEQVWRVNFBZKDC-SJZFEPBNSA-N 0 0 332.425 3.365 10 5 EGBERN CC(C)c1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000175189853 455424285 /nfs/dbraw/zinc/42/42/85/455424285.db2.gz GGVKEBFOMINWCM-UHFFFAOYSA-N 0 0 344.371 3.301 10 5 EGBERN CC(C)c1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000175189930 455424427 /nfs/dbraw/zinc/42/44/27/455424427.db2.gz YELOYSOSFBLJHA-UHFFFAOYSA-N 0 0 344.371 3.301 10 5 EGBERN COc1cccc2c1nc(NCc1ccc(C)c([N+](=O)[O-])c1)n2C ZINC000184790237 455448026 /nfs/dbraw/zinc/44/80/26/455448026.db2.gz BWKNGLAEDMGBAR-UHFFFAOYSA-N 0 0 326.356 3.411 10 5 EGBERN Cc1cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000160472842 455463253 /nfs/dbraw/zinc/46/32/53/455463253.db2.gz FVPRSGZVRNJURS-CYBMUJFWSA-N 0 0 328.368 3.312 10 5 EGBERN COc1ccc(-c2noc(-c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cn1 ZINC000191275494 455474005 /nfs/dbraw/zinc/47/40/05/455474005.db2.gz RSHVPXCTGZEJEW-UHFFFAOYSA-N 0 0 342.311 3.032 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc3ccccc32)n1 ZINC000191500136 455490966 /nfs/dbraw/zinc/49/09/66/455490966.db2.gz VRRNSRRXKLEJFI-UHFFFAOYSA-N 0 0 338.367 3.237 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)n1 ZINC000191694458 455510369 /nfs/dbraw/zinc/51/03/69/455510369.db2.gz BRNQQRSURDGDHJ-CYBMUJFWSA-N 0 0 344.415 3.296 10 5 EGBERN COC(=O)c1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000191842976 455525133 /nfs/dbraw/zinc/52/51/33/455525133.db2.gz DSSFQYCQHNEFFF-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000191869795 455527184 /nfs/dbraw/zinc/52/71/84/455527184.db2.gz QJVVFNGVKZUVTG-GFCCVEGCSA-N 0 0 338.385 3.153 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000161110647 455535163 /nfs/dbraw/zinc/53/51/63/455535163.db2.gz HNFOPNAUGAEHKH-UHFFFAOYSA-N 0 0 336.351 3.270 10 5 EGBERN COCCN(Cc1ccco1)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000182641255 455559109 /nfs/dbraw/zinc/55/91/09/455559109.db2.gz PSWLGTOJMOWMRK-WYMLVPIESA-N 0 0 344.367 3.266 10 5 EGBERN Cc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262434 455580464 /nfs/dbraw/zinc/58/04/64/455580464.db2.gz XRADQWIYNIKYLW-KDOFPFPSSA-N 0 0 348.349 3.489 10 5 EGBERN CCc1cnc(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000182761277 455582549 /nfs/dbraw/zinc/58/25/49/455582549.db2.gz CZLXPSBSCCQGRM-UHFFFAOYSA-N 0 0 334.401 3.286 10 5 EGBERN CO[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)C ZINC000277624422 455616726 /nfs/dbraw/zinc/61/67/26/455616726.db2.gz ARWBQNJKHDNWEW-QGZVFWFLSA-N 0 0 338.407 3.494 10 5 EGBERN O=C(NCCCc1nccs1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601033075 460682388 /nfs/dbraw/zinc/68/23/88/460682388.db2.gz PLEGMLTVONHGML-UHFFFAOYSA-N 0 0 345.424 3.222 10 5 EGBERN COCc1nc(CNCc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000268262280 455634387 /nfs/dbraw/zinc/63/43/87/455634387.db2.gz FIIWZELHYQDCFX-UHFFFAOYSA-N 0 0 327.793 3.141 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000192576653 455644562 /nfs/dbraw/zinc/64/45/62/455644562.db2.gz SOQZGLPDLTUZNP-LLVKDONJSA-N 0 0 348.403 3.180 10 5 EGBERN Cc1ncsc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601042103 460685440 /nfs/dbraw/zinc/68/54/40/460685440.db2.gz ULUYKYCDBQNSTJ-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC2=CCCCCC2)c1 ZINC000186032204 455680370 /nfs/dbraw/zinc/68/03/70/455680370.db2.gz MISVGYKXSDHJIS-UHFFFAOYSA-N 0 0 338.429 3.295 10 5 EGBERN C[C@H](CCO)C1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000271759624 455749934 /nfs/dbraw/zinc/74/99/34/455749934.db2.gz BCAAOUGIBAXHPI-KGLIPLIRSA-N 0 0 349.431 3.144 10 5 EGBERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282580 455750241 /nfs/dbraw/zinc/75/02/41/455750241.db2.gz XJDUSDQBCQFURQ-QWHCGFSZSA-N 0 0 331.372 3.482 10 5 EGBERN CC(C)[C@H](CCO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278132603 455766474 /nfs/dbraw/zinc/76/64/74/455766474.db2.gz MZQUWYSOOGNWHI-INIZCTEOSA-N 0 0 338.407 3.230 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)CC2CCCCC2)c(F)c1 ZINC000284990613 455773868 /nfs/dbraw/zinc/77/38/68/455773868.db2.gz GFNKRWFYYSHEEW-UHFFFAOYSA-N 0 0 333.356 3.368 10 5 EGBERN COc1ccccc1[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278175420 455777442 /nfs/dbraw/zinc/77/74/42/455777442.db2.gz BGCKHEDNXNWILN-LBPRGKRZSA-N 0 0 338.367 3.474 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCSCC1 ZINC000272123407 455852030 /nfs/dbraw/zinc/85/20/30/455852030.db2.gz KHBFYDFVOXBGFC-UHFFFAOYSA-N 0 0 345.218 3.439 10 5 EGBERN CCOc1cc(CN2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000285710108 455901222 /nfs/dbraw/zinc/90/12/22/455901222.db2.gz SZJAPRNWULFSER-UHFFFAOYSA-N 0 0 342.399 3.016 10 5 EGBERN CO[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187782863 455952646 /nfs/dbraw/zinc/95/26/46/455952646.db2.gz MVVARPKNFDVQQV-MLGOLLRUSA-N 0 0 334.416 3.389 10 5 EGBERN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280396602 455963884 /nfs/dbraw/zinc/96/38/84/455963884.db2.gz XMDMNAFGQQCLDR-MRXNPFEDSA-N 0 0 340.807 3.018 10 5 EGBERN CC[C@@](C)(OC)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000280420035 455968134 /nfs/dbraw/zinc/96/81/34/455968134.db2.gz SQGSWGYOTVEWKR-GFCCVEGCSA-N 0 0 331.166 3.111 10 5 EGBERN O=C(NC1(CCO)CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000286241166 456007531 /nfs/dbraw/zinc/00/75/31/456007531.db2.gz YJKDHYVOISIPRU-UHFFFAOYSA-N 0 0 334.397 3.235 10 5 EGBERN CC(C)(NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000188185453 456016707 /nfs/dbraw/zinc/01/67/07/456016707.db2.gz MCMSIHYFIXOWRP-AWEZNQCLSA-N 0 0 335.404 3.087 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c(C)onc1CC ZINC000296728300 456020820 /nfs/dbraw/zinc/02/08/20/456020820.db2.gz MKKGRLIEROJTDI-UHFFFAOYSA-N 0 0 348.359 3.174 10 5 EGBERN CN(CC1(CO)CC1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000188465580 456067904 /nfs/dbraw/zinc/06/79/04/456067904.db2.gz AFQQQJVQMXWEAW-UHFFFAOYSA-N 0 0 340.379 3.035 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cn2ccnc2s1 ZINC000188632921 456100325 /nfs/dbraw/zinc/10/03/25/456100325.db2.gz FMYNMLSFBWILMJ-UHFFFAOYSA-N 0 0 339.336 3.105 10 5 EGBERN Cc1cc(NCC(=O)NC2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301424979 456112632 /nfs/dbraw/zinc/11/26/32/456112632.db2.gz BOYCPXZBGQTSSA-UHFFFAOYSA-N 0 0 325.796 3.417 10 5 EGBERN C[C@@H]1CC[C@H](C)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301463590 456121922 /nfs/dbraw/zinc/12/19/22/456121922.db2.gz VRHZULBONAHTTQ-VHSXEESVSA-N 0 0 348.371 3.216 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)c1ccc(F)cc1F ZINC000301481034 456127256 /nfs/dbraw/zinc/12/72/56/456127256.db2.gz WLFDESGYODHXIH-SNVBAGLBSA-N 0 0 349.337 3.448 10 5 EGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301503830 456131756 /nfs/dbraw/zinc/13/17/56/456131756.db2.gz YSVYBJNHMIYTCS-JKSUJKDBSA-N 0 0 333.413 3.202 10 5 EGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000301539959 456142169 /nfs/dbraw/zinc/14/21/69/456142169.db2.gz JTGKLJAWITZUGW-KDGBHJTFSA-N 0 0 326.418 3.095 10 5 EGBERN CC[C@@H](NC(=O)N1CCC(CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273019956 456147562 /nfs/dbraw/zinc/14/75/62/456147562.db2.gz CMFZBVCGFQFCIW-QGZVFWFLSA-N 0 0 349.431 3.240 10 5 EGBERN CC(C)(C)c1nnc(COC(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000281153052 456147912 /nfs/dbraw/zinc/14/79/12/456147912.db2.gz JIJRSEUERQEXAT-UHFFFAOYSA-N 0 0 349.412 3.420 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281175518 456154393 /nfs/dbraw/zinc/15/43/93/456154393.db2.gz YFOQCNWBEHJFJF-MRXNPFEDSA-N 0 0 328.372 3.004 10 5 EGBERN Cc1cc(C(=O)OCc2nnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000281180663 456156770 /nfs/dbraw/zinc/15/67/70/456156770.db2.gz LGDFBQOCBUVXMF-UHFFFAOYSA-N 0 0 335.385 3.409 10 5 EGBERN CCNC(=O)c1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000301618943 456165178 /nfs/dbraw/zinc/16/51/78/456165178.db2.gz LOAPAWKSFLVLIE-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN CS[C@@H]1CCC[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601118011 460717513 /nfs/dbraw/zinc/71/75/13/460717513.db2.gz CXOAOTSSCIXFOV-JGVFFNPUSA-N 0 0 338.355 3.433 10 5 EGBERN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CCO2)c1 ZINC000301658369 456175691 /nfs/dbraw/zinc/17/56/91/456175691.db2.gz BUSNQHKTLTTXJA-GOSISDBHSA-N 0 0 328.368 3.490 10 5 EGBERN CC(C)CC[C@](C)(O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301673808 456182164 /nfs/dbraw/zinc/18/21/64/456182164.db2.gz GMNXUGZRJXGIFP-ZDUSSCGKSA-N 0 0 346.225 3.351 10 5 EGBERN Cc1ccc(C)c(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301699568 456191126 /nfs/dbraw/zinc/19/11/26/456191126.db2.gz FAZNPUSWBBWKMJ-UHFFFAOYSA-N 0 0 326.400 3.242 10 5 EGBERN COC(=O)c1cc(Oc2ncnc3c(C)cccc23)ccc1[N+](=O)[O-] ZINC000301720038 456197882 /nfs/dbraw/zinc/19/78/82/456197882.db2.gz MGOOCLMIIUAENT-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301843019 456230538 /nfs/dbraw/zinc/23/05/38/456230538.db2.gz KISULHULFOODTJ-JTQLQIEISA-N 0 0 344.762 3.397 10 5 EGBERN Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000302028550 456271704 /nfs/dbraw/zinc/27/17/04/456271704.db2.gz AYWZOIPQULMNIB-UHFFFAOYSA-N 0 0 335.345 3.050 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000334039175 456290295 /nfs/dbraw/zinc/29/02/95/456290295.db2.gz WFAXFKFSLZMXSJ-ONGXEEELSA-N 0 0 339.779 3.380 10 5 EGBERN COC(C)(C)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275751701 456303467 /nfs/dbraw/zinc/30/34/67/456303467.db2.gz DJFZEYSXCKYDER-JTQLQIEISA-N 0 0 328.796 3.490 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(Cl)nc2)c1 ZINC000302197908 456314260 /nfs/dbraw/zinc/31/42/60/456314260.db2.gz TZSQLDDKEDFAFX-UHFFFAOYSA-N 0 0 335.747 3.084 10 5 EGBERN C[C@H]1CC(CNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281801457 456324100 /nfs/dbraw/zinc/32/41/00/456324100.db2.gz IIRYHTICYAWQJE-IUCAKERBSA-N 0 0 344.209 3.368 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342951659 456333687 /nfs/dbraw/zinc/33/36/87/456333687.db2.gz VLJSTPMEIAVICM-KSYCFECVSA-N 0 0 349.431 3.405 10 5 EGBERN CC1(C)CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)O1 ZINC000302350491 456336323 /nfs/dbraw/zinc/33/63/23/456336323.db2.gz BOAQANPDUGHWRS-SECBINFHSA-N 0 0 330.182 3.122 10 5 EGBERN CCC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000275923997 456351471 /nfs/dbraw/zinc/35/14/71/456351471.db2.gz YSGLKVLNMCLQIM-UHFFFAOYSA-N 0 0 340.807 3.493 10 5 EGBERN Cc1ccc(NC(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000281946327 456369835 /nfs/dbraw/zinc/36/98/35/456369835.db2.gz UEUVYOUDACJCTN-UHFFFAOYSA-N 0 0 340.177 3.420 10 5 EGBERN COc1cc(NCCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1F ZINC000343051515 456372024 /nfs/dbraw/zinc/37/20/24/456372024.db2.gz NBXZWHASAPMQLX-UHFFFAOYSA-N 0 0 330.319 3.273 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)C2CCCCC2)c1 ZINC000302693762 456376437 /nfs/dbraw/zinc/37/64/37/456376437.db2.gz FVHXHSHJSHNZTK-INIZCTEOSA-N 0 0 326.368 3.486 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000352872631 456380077 /nfs/dbraw/zinc/38/00/77/456380077.db2.gz VPFCWQJWFAKSKX-LLVKDONJSA-N 0 0 332.331 3.104 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000352878437 456384480 /nfs/dbraw/zinc/38/44/80/456384480.db2.gz USEMCXKKLGMUSD-SNVBAGLBSA-N 0 0 334.397 3.334 10 5 EGBERN C[C@](CO)(NCc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601150075 460732435 /nfs/dbraw/zinc/73/24/35/460732435.db2.gz UCFMVUVBAIEAHB-MRXNPFEDSA-N 0 0 338.766 3.385 10 5 EGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1[C@@H]1CCCO1 ZINC000290697905 456407556 /nfs/dbraw/zinc/40/75/56/456407556.db2.gz VOJCPSVJXDTPDI-HOTGVXAUSA-N 0 0 343.383 3.106 10 5 EGBERN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302815223 456407739 /nfs/dbraw/zinc/40/77/39/456407739.db2.gz KLOUWRAZCSDFKC-STQMWFEESA-N 0 0 337.395 3.255 10 5 EGBERN CC(C)(C)Oc1cc(NCC(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000343252677 456484591 /nfs/dbraw/zinc/48/45/91/456484591.db2.gz SAQXLCNJAVVKKN-UHFFFAOYSA-N 0 0 347.371 3.093 10 5 EGBERN O=C(N[C@@H](c1cccnc1)C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340402571 456438889 /nfs/dbraw/zinc/43/88/89/456438889.db2.gz XSGGINCVEIRPAH-MRXNPFEDSA-N 0 0 336.351 3.352 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000348062871 456449495 /nfs/dbraw/zinc/44/94/95/456449495.db2.gz RALFIMQXYOJYRY-UHFFFAOYSA-N 0 0 343.383 3.406 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000290903695 456463608 /nfs/dbraw/zinc/46/36/08/456463608.db2.gz VNAUBHVXMABYAU-JTQLQIEISA-N 0 0 336.348 3.085 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000303779066 456486920 /nfs/dbraw/zinc/48/69/20/456486920.db2.gz SDOYFQSISXNGPI-GFCCVEGCSA-N 0 0 338.367 3.313 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC=C(Br)C1 ZINC000282369946 456491722 /nfs/dbraw/zinc/49/17/22/456491722.db2.gz VOXTUCZYJRRYJT-UHFFFAOYSA-N 0 0 325.162 3.028 10 5 EGBERN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000291055568 456512154 /nfs/dbraw/zinc/51/21/54/456512154.db2.gz CMWRIPXRINABMD-HNNXBMFYSA-N 0 0 345.321 3.024 10 5 EGBERN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000291055570 456512401 /nfs/dbraw/zinc/51/24/01/456512401.db2.gz CMWRIPXRINABMD-OAHLLOKOSA-N 0 0 345.321 3.024 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000340541678 456523050 /nfs/dbraw/zinc/52/30/50/456523050.db2.gz KVDZKHQTWIGLGG-SECBINFHSA-N 0 0 330.369 3.332 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000291244971 456578012 /nfs/dbraw/zinc/57/80/12/456578012.db2.gz OMIZNMGJPYXIHB-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348287742 456598886 /nfs/dbraw/zinc/59/88/86/456598886.db2.gz VXTNCCQZWIEQTO-OPQQBVKSSA-N 0 0 345.321 3.195 10 5 EGBERN Cn1ccnc1[C@H](NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348314419 456616017 /nfs/dbraw/zinc/61/60/17/456616017.db2.gz BHXXWCNSHSUOMO-OAHLLOKOSA-N 0 0 332.379 3.290 10 5 EGBERN CC[C@@H](CSC)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343511113 456671180 /nfs/dbraw/zinc/67/11/80/456671180.db2.gz MXDCZYJSPQJMQP-VIFPVBQESA-N 0 0 332.372 3.016 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCc2cc(Br)ccc2C1 ZINC000340877417 456735272 /nfs/dbraw/zinc/73/52/72/456735272.db2.gz SLTUBZODEYLPQL-UHFFFAOYSA-N 0 0 334.173 3.315 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000299623988 456746547 /nfs/dbraw/zinc/74/65/47/456746547.db2.gz RACNLKZKTRCNRM-CQSZACIVSA-N 0 0 345.378 3.393 10 5 EGBERN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000340897954 456748614 /nfs/dbraw/zinc/74/86/14/456748614.db2.gz KMUQNFHBPMSCCN-VXGBXAGGSA-N 0 0 331.347 3.412 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](CO)c1cccnc1 ZINC000340903137 456751732 /nfs/dbraw/zinc/75/17/32/456751732.db2.gz RPTZZOKTVUXMJM-LLVKDONJSA-N 0 0 341.289 3.197 10 5 EGBERN C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353559492 456760528 /nfs/dbraw/zinc/76/05/28/456760528.db2.gz FRHIQRMVZUSVPK-AWEZNQCLSA-N 0 0 331.441 3.363 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1[N+](=O)[O-] ZINC000277361640 456795109 /nfs/dbraw/zinc/79/51/09/456795109.db2.gz BNTZEGONXHKNNG-DCDXPUDHSA-N 0 0 343.383 3.027 10 5 EGBERN CC(C)[C@H](NCc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338419595 456807097 /nfs/dbraw/zinc/80/70/97/456807097.db2.gz ALFHEAXEPWETRQ-INIZCTEOSA-N 0 0 325.372 3.124 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000301164454 456810620 /nfs/dbraw/zinc/81/06/20/456810620.db2.gz IFFDMLGQCCCVGQ-UHFFFAOYSA-N 0 0 331.416 3.132 10 5 EGBERN O=C(NCCc1nccs1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348740807 456835894 /nfs/dbraw/zinc/83/58/94/456835894.db2.gz OWSOPZGZMVSTQF-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN Cc1cc(NCC[C@H](O)C(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000345081791 456918811 /nfs/dbraw/zinc/91/88/11/456918811.db2.gz PIYXOGCAORLZDH-LBPRGKRZSA-N 0 0 329.278 3.177 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCS1 ZINC000341738838 456922186 /nfs/dbraw/zinc/92/21/86/456922186.db2.gz RAFUYYONHXMQAS-JTQLQIEISA-N 0 0 331.191 3.191 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000339065539 456924909 /nfs/dbraw/zinc/92/49/09/456924909.db2.gz GQFPFISBBIHTOK-KDOFPFPSSA-N 0 0 328.368 3.168 10 5 EGBERN C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341769526 456935016 /nfs/dbraw/zinc/93/50/16/456935016.db2.gz BWUYQHNIEHAJEB-NSHDSACASA-N 0 0 337.335 3.340 10 5 EGBERN CO[C@@H](C)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000339148189 456963877 /nfs/dbraw/zinc/96/38/77/456963877.db2.gz FVVHFXUENUHVSG-VIFPVBQESA-N 0 0 333.319 3.276 10 5 EGBERN CC(C)Oc1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000345777491 456993404 /nfs/dbraw/zinc/99/34/04/456993404.db2.gz LVWVVTRMGYPUJO-UHFFFAOYSA-N 0 0 343.383 3.442 10 5 EGBERN CCOc1cc(NCc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356594896 457074471 /nfs/dbraw/zinc/07/44/71/457074471.db2.gz AVLCAZPJIGQRFE-UHFFFAOYSA-N 0 0 344.293 3.364 10 5 EGBERN CC(C)[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330781838 457084635 /nfs/dbraw/zinc/08/46/35/457084635.db2.gz GIBYUYQKZDEROX-NSHDSACASA-N 0 0 328.315 3.457 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000362796393 457097381 /nfs/dbraw/zinc/09/73/81/457097381.db2.gz UOVHNZVKRAQXNN-UHFFFAOYSA-N 0 0 341.367 3.447 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000356655856 457106055 /nfs/dbraw/zinc/10/60/55/457106055.db2.gz MQQGSMMSRJABQT-GRYCIOLGSA-N 0 0 343.383 3.355 10 5 EGBERN C[C@H]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000360011146 457203041 /nfs/dbraw/zinc/20/30/41/457203041.db2.gz TWCBTQJRZVOYTK-STQMWFEESA-N 0 0 348.399 3.312 10 5 EGBERN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342284336 457211751 /nfs/dbraw/zinc/21/17/51/457211751.db2.gz RNEZMMXDGYBSRQ-LBPRGKRZSA-N 0 0 341.367 3.087 10 5 EGBERN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000342296792 457220117 /nfs/dbraw/zinc/22/01/17/457220117.db2.gz KCVQXZJFLQKNGQ-CYBMUJFWSA-N 0 0 327.384 3.147 10 5 EGBERN COc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000347085573 457222004 /nfs/dbraw/zinc/22/20/04/457222004.db2.gz MANLPBNUXNKRAC-GTNSWQLSSA-N 0 0 326.352 3.267 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ncon2)cc1C(F)(F)F ZINC000363158686 457241842 /nfs/dbraw/zinc/24/18/42/457241842.db2.gz CSMCVKWMDZVYTR-NSHDSACASA-N 0 0 328.250 3.338 10 5 EGBERN Cc1oc2ccccc2c1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000347173967 457271219 /nfs/dbraw/zinc/27/12/19/457271219.db2.gz YOARXZUNWKQTQB-UHFFFAOYSA-N 0 0 339.311 3.408 10 5 EGBERN COc1c(C(=O)N(C)Cc2ccc(F)cc2C)cccc1[N+](=O)[O-] ZINC000357047584 457296718 /nfs/dbraw/zinc/29/67/18/457296718.db2.gz FYNXYZWNZABRBC-UHFFFAOYSA-N 0 0 332.331 3.323 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000360442540 457312079 /nfs/dbraw/zinc/31/20/79/457312079.db2.gz KBPXRGWSPQCIIW-ZWNOBZJWSA-N 0 0 326.418 3.021 10 5 EGBERN Cc1ccc2[nH]c(CNc3ccc4cc([N+](=O)[O-])ccc4n3)nc2c1 ZINC000342461610 457314891 /nfs/dbraw/zinc/31/48/91/457314891.db2.gz WJIXANYOEPPEBK-UHFFFAOYSA-N 0 0 333.351 3.362 10 5 EGBERN Cc1cc(OCc2nc([C@@H]3CCOC[C@@H]3C)no2)ccc1[N+](=O)[O-] ZINC000347262712 457319083 /nfs/dbraw/zinc/31/90/83/457319083.db2.gz LFQFOLGNJDUTQK-WCQYABFASA-N 0 0 333.344 3.005 10 5 EGBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccn1 ZINC000347288343 457332828 /nfs/dbraw/zinc/33/28/28/457332828.db2.gz YAXPXUGXCYJAKI-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COC(=O)[C@@H](Oc1cccnc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000342533528 457353585 /nfs/dbraw/zinc/35/35/85/457353585.db2.gz VSWNZUOFEUHIGM-LBPRGKRZSA-N 0 0 340.694 3.075 10 5 EGBERN Cc1cc(=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000342624055 457410773 /nfs/dbraw/zinc/41/07/73/457410773.db2.gz WTVYTRLGSRIKJK-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1c(F)cccc1F ZINC000360918136 457431498 /nfs/dbraw/zinc/43/14/98/457431498.db2.gz GUHOKMFYZRIPKP-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(F)c3Cl)n2)nc1 ZINC000357332963 457453165 /nfs/dbraw/zinc/45/31/65/457453165.db2.gz CLKLZKNVZCHXNV-UHFFFAOYSA-N 0 0 334.694 3.423 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000425257006 457472706 /nfs/dbraw/zinc/47/27/06/457472706.db2.gz SPAUKXKROLGFGG-LBPRGKRZSA-N 0 0 342.355 3.052 10 5 EGBERN COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000360971240 457479524 /nfs/dbraw/zinc/47/95/24/457479524.db2.gz QYDOQERKCOOMEV-GXSJLCMTSA-N 0 0 346.305 3.406 10 5 EGBERN CC[C@@H](NC(=O)N1CCC[C@H](OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369981777 457486298 /nfs/dbraw/zinc/48/62/98/457486298.db2.gz DEGBSOJTRTXXEI-JKSUJKDBSA-N 0 0 335.404 3.256 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCSc1ccccn1 ZINC000352595897 457492671 /nfs/dbraw/zinc/49/26/71/457492671.db2.gz FHKBFOKDENVOGW-UHFFFAOYSA-N 0 0 331.397 3.210 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C\c4cnccn4)n3)c2c1 ZINC000357399223 457496221 /nfs/dbraw/zinc/49/62/21/457496221.db2.gz IWEIRWBWWXULKL-RJRFIUFISA-N 0 0 348.322 3.010 10 5 EGBERN COc1cc2c(cc1F)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000347629831 457560962 /nfs/dbraw/zinc/56/09/62/457560962.db2.gz MAUOCBIVQWAONK-UHFFFAOYSA-N 0 0 346.358 3.309 10 5 EGBERN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000357535335 457585116 /nfs/dbraw/zinc/58/51/16/457585116.db2.gz KJRIEUHJMPGGBK-ZJUUUORDSA-N 0 0 345.321 3.282 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000357589561 457609851 /nfs/dbraw/zinc/60/98/51/457609851.db2.gz CNPCEWCOQFPDPO-QAPCUYQASA-N 0 0 327.384 3.185 10 5 EGBERN Cc1cc(-c2nc(-c3ncccc3-n3cccn3)no2)cc([N+](=O)[O-])c1 ZINC000361175236 457629026 /nfs/dbraw/zinc/62/90/26/457629026.db2.gz MZSGFBWCVGDAOL-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CO[C@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000410508318 457645484 /nfs/dbraw/zinc/64/54/84/457645484.db2.gz KINGKZBERCVVQV-SNVBAGLBSA-N 0 0 348.321 3.499 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000374547773 457656689 /nfs/dbraw/zinc/65/66/89/457656689.db2.gz HVROQZAUIZRGND-UHFFFAOYSA-N 0 0 344.798 3.492 10 5 EGBERN Cc1c(CC(=O)N2CC(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000361229703 457657822 /nfs/dbraw/zinc/65/78/22/457657822.db2.gz SIYXXOIMVFLQNM-UHFFFAOYSA-N 0 0 328.343 3.211 10 5 EGBERN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370537157 457669174 /nfs/dbraw/zinc/66/91/74/457669174.db2.gz ARRNUOOCXIUWMD-MRXNPFEDSA-N 0 0 328.372 3.086 10 5 EGBERN CC(C)OCc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)no1 ZINC000357812617 457698788 /nfs/dbraw/zinc/69/87/88/457698788.db2.gz RRDDBYRSTNJSIA-QMMMGPOBSA-N 0 0 341.755 3.124 10 5 EGBERN CC1=C(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000361353588 457703930 /nfs/dbraw/zinc/70/39/30/457703930.db2.gz UMCCQONEKKDHNU-UHFFFAOYSA-N 0 0 326.299 3.379 10 5 EGBERN COc1c(-c2nc(-c3ncsc3Cl)no2)cccc1[N+](=O)[O-] ZINC000361364099 457706905 /nfs/dbraw/zinc/70/69/05/457706905.db2.gz ANICJOPTWXXYFG-UHFFFAOYSA-N 0 0 338.732 3.430 10 5 EGBERN CO[C@@H]1CCC[C@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000410705126 457746837 /nfs/dbraw/zinc/74/68/37/457746837.db2.gz OEUBZBDZRYGOSO-GXTWGEPZSA-N 0 0 343.383 3.017 10 5 EGBERN CC(C)C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443764257 457811080 /nfs/dbraw/zinc/81/10/80/457811080.db2.gz MBUJLHAIVIYCBQ-AWEZNQCLSA-N 0 0 340.445 3.183 10 5 EGBERN COc1cc(C(=O)N[C@@H](C)c2ccccc2OC)cc([N+](=O)[O-])c1C ZINC000358145614 457813089 /nfs/dbraw/zinc/81/30/89/457813089.db2.gz FYZSPXQBEVTUIE-LBPRGKRZSA-N 0 0 344.367 3.411 10 5 EGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411181353 457821922 /nfs/dbraw/zinc/82/19/22/457821922.db2.gz FSEPZWSBSURJFF-SJLPKXTDSA-N 0 0 343.358 3.008 10 5 EGBERN COCCN(Cc1ccnn1C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000426494104 457842788 /nfs/dbraw/zinc/84/27/88/457842788.db2.gz FJOXTZADYIPEKE-UHFFFAOYSA-N 0 0 346.431 3.100 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC2(CC2)CC1 ZINC000433559286 457847624 /nfs/dbraw/zinc/84/76/24/457847624.db2.gz RBZULAWMIZKKHH-UHFFFAOYSA-N 0 0 333.388 3.125 10 5 EGBERN CSc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433996402 457927341 /nfs/dbraw/zinc/92/73/41/457927341.db2.gz ZXOJQACRACECMR-UHFFFAOYSA-N 0 0 334.401 3.093 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC(C)C)n1 ZINC000427181781 457954018 /nfs/dbraw/zinc/95/40/18/457954018.db2.gz JCXZGRBYTQHRHU-UHFFFAOYSA-N 0 0 330.388 3.110 10 5 EGBERN Cc1cc(C)cc(CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000434341695 457978440 /nfs/dbraw/zinc/97/84/40/457978440.db2.gz MTSYCZBKASROEL-UHFFFAOYSA-N 0 0 338.367 3.360 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2cc(F)ccc12 ZINC000434547399 458017545 /nfs/dbraw/zinc/01/75/45/458017545.db2.gz MXZZIQLIBFCPEB-UHFFFAOYSA-N 0 0 327.315 3.188 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000371710542 458044550 /nfs/dbraw/zinc/04/45/50/458044550.db2.gz MZRSPSSUYNEZCP-INIZCTEOSA-N 0 0 330.315 3.027 10 5 EGBERN C[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000358561751 458078488 /nfs/dbraw/zinc/07/84/88/458078488.db2.gz AIDJXGZASAZUCK-RJIBLYRGSA-N 0 0 342.317 3.341 10 5 EGBERN COCc1cccc(OCC2(Cn3nccc3[N+](=O)[O-])CCC2)c1 ZINC000358568735 458081733 /nfs/dbraw/zinc/08/17/33/458081733.db2.gz ZQXVUZJAQUHUPQ-UHFFFAOYSA-N 0 0 331.372 3.187 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412211747 458129024 /nfs/dbraw/zinc/12/90/24/458129024.db2.gz BPXNTMIFEUVZKL-AEFFLSMTSA-N 0 0 328.343 3.138 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412233597 458138034 /nfs/dbraw/zinc/13/80/34/458138034.db2.gz ORJGMVOXYRILFF-LSDHHAIUSA-N 0 0 331.759 3.063 10 5 EGBERN CC(C)(C)C(C)(C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458704743 458142167 /nfs/dbraw/zinc/14/21/67/458142167.db2.gz JTYUGVOCVWCRPH-UHFFFAOYSA-N 0 0 333.392 3.095 10 5 EGBERN Cn1c(=O)ccc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000362460356 458194073 /nfs/dbraw/zinc/19/40/73/458194073.db2.gz KDIYMBRCPVFXPS-UHFFFAOYSA-N 0 0 338.323 3.091 10 5 EGBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000362487853 458212794 /nfs/dbraw/zinc/21/27/94/458212794.db2.gz WJDHAGYMTUBDJQ-FZMZJTMJSA-N 0 0 331.372 3.448 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000362497730 458219061 /nfs/dbraw/zinc/21/90/61/458219061.db2.gz JSDBKIKCNPVBEX-HNNXBMFYSA-N 0 0 348.399 3.240 10 5 EGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc2ncsc2c1 ZINC000362499950 458221707 /nfs/dbraw/zinc/22/17/07/458221707.db2.gz QSXPIAPVLDBSFN-SECBINFHSA-N 0 0 342.380 3.278 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000376194904 458230261 /nfs/dbraw/zinc/23/02/61/458230261.db2.gz KAEOZIBBVZBUFB-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446899730 458244310 /nfs/dbraw/zinc/24/43/10/458244310.db2.gz UFOFOAXZBLMMKR-GRYCIOLGSA-N 0 0 345.403 3.047 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000436160698 458261241 /nfs/dbraw/zinc/26/12/41/458261241.db2.gz JBKBITOMXBSRRN-NXEZZACHSA-N 0 0 346.836 3.366 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H]1c1ccccc1 ZINC000362569390 458275377 /nfs/dbraw/zinc/27/53/77/458275377.db2.gz NPFLETYFTTUMAF-MRXNPFEDSA-N 0 0 332.306 3.389 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(Oc3cnccn3)CC2)c1 ZINC000369628892 458295047 /nfs/dbraw/zinc/29/50/47/458295047.db2.gz HFFLTBLPKUNUGY-UHFFFAOYSA-N 0 0 348.790 3.082 10 5 EGBERN O=[N+]([O-])c1cc(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1Cl ZINC000372919417 458349413 /nfs/dbraw/zinc/34/94/13/458349413.db2.gz CKIMRUXZMHBJTA-HNNXBMFYSA-N 0 0 343.774 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CCCc3n[nH]cc32)n1 ZINC000373196069 458426180 /nfs/dbraw/zinc/42/61/80/458426180.db2.gz RDDGTVLURBLNGW-NSHDSACASA-N 0 0 339.355 3.453 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC4(C3)CCOCC4)cs2)c1 ZINC000459626041 458430379 /nfs/dbraw/zinc/43/03/79/458430379.db2.gz VZAPCBHCDACOFC-UHFFFAOYSA-N 0 0 345.424 3.331 10 5 EGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000437369354 458449339 /nfs/dbraw/zinc/44/93/39/458449339.db2.gz DXZKCMYJYCUOGU-ZJUUUORDSA-N 0 0 338.266 3.075 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430832176 458496767 /nfs/dbraw/zinc/49/67/67/458496767.db2.gz GFSPSTMXQZLPRY-UHFFFAOYSA-N 0 0 342.248 3.390 10 5 EGBERN Cc1c(CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000460856914 458537351 /nfs/dbraw/zinc/53/73/51/458537351.db2.gz QLPJZXDVVRQFSY-MRXNPFEDSA-N 0 0 329.400 3.377 10 5 EGBERN O=c1cc(C2CC2)nc(SCCOc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000470451968 458633819 /nfs/dbraw/zinc/63/38/19/458633819.db2.gz AGERLNWNWPAFDU-UHFFFAOYSA-N 0 0 333.369 3.139 10 5 EGBERN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1C ZINC000439228248 458673030 /nfs/dbraw/zinc/67/30/30/458673030.db2.gz FUVKYEOLGNJSNI-UHFFFAOYSA-N 0 0 338.367 3.306 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nc2cc(Cl)ccc2n1C ZINC000463498181 458706793 /nfs/dbraw/zinc/70/67/93/458706793.db2.gz FVNCULLPSIPKRP-UHFFFAOYSA-N 0 0 330.775 3.477 10 5 EGBERN CO[C@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000456580376 458719321 /nfs/dbraw/zinc/71/93/21/458719321.db2.gz SONHOYCJNFOBMA-AMIZOPFISA-N 0 0 346.305 3.157 10 5 EGBERN Cc1ccc(CCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471922359 458751683 /nfs/dbraw/zinc/75/16/83/458751683.db2.gz YIZBPUYETBPBTE-UHFFFAOYSA-N 0 0 340.339 3.253 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2ccc(CCC(C)C)cn2)c1[N+](=O)[O-] ZINC000456789505 458783413 /nfs/dbraw/zinc/78/34/13/458783413.db2.gz VDRZIMMBPSYHPW-UHFFFAOYSA-N 0 0 331.376 3.116 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000456803969 458787226 /nfs/dbraw/zinc/78/72/26/458787226.db2.gz UGIAGVKLAHLJJD-UONOGXRCSA-N 0 0 342.399 3.431 10 5 EGBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1C[C@H]1C1CC1 ZINC000456868507 458807146 /nfs/dbraw/zinc/80/71/46/458807146.db2.gz CNFKFGRVHJKURW-YJBOKZPZSA-N 0 0 346.430 3.317 10 5 EGBERN Cc1cccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000457006980 458838237 /nfs/dbraw/zinc/83/82/37/458838237.db2.gz DJSGTYWFPZSOFG-AWEZNQCLSA-N 0 0 328.368 3.468 10 5 EGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(Br)s1 ZINC000474332788 458877149 /nfs/dbraw/zinc/87/71/49/458877149.db2.gz VOLGEIYQXWHYIU-UHFFFAOYSA-N 0 0 349.593 3.282 10 5 EGBERN COc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000518930696 458899922 /nfs/dbraw/zinc/89/99/22/458899922.db2.gz BVDIZGDPXQECGB-BUXKBTBVSA-N 0 0 340.379 3.196 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000556483768 458964961 /nfs/dbraw/zinc/96/49/61/458964961.db2.gz ZEHASTGOYHPNCE-ZDUSSCGKSA-N 0 0 336.388 3.026 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000566679655 458981839 /nfs/dbraw/zinc/98/18/39/458981839.db2.gz BYWVDATUQJGUQC-SJCJKPOMSA-N 0 0 343.383 3.107 10 5 EGBERN CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000531881648 458994091 /nfs/dbraw/zinc/99/40/91/458994091.db2.gz MMPWMMLODTVUFM-UHFFFAOYSA-N 0 0 342.355 3.289 10 5 EGBERN COC(=O)c1cc(N[C@H](CO)c2ccccc2C)cc(C)c1[N+](=O)[O-] ZINC000531881969 458994144 /nfs/dbraw/zinc/99/41/44/458994144.db2.gz YYJXKCVFKXTJCC-MRXNPFEDSA-N 0 0 344.367 3.144 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000442694401 459024139 /nfs/dbraw/zinc/02/41/39/459024139.db2.gz JMSHOKMDMFEFRE-SKDRFNHKSA-N 0 0 337.763 3.362 10 5 EGBERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139065 459036026 /nfs/dbraw/zinc/03/60/26/459036026.db2.gz JMOUKSOYSUNESR-HNNXBMFYSA-N 0 0 327.384 3.392 10 5 EGBERN COc1cccc(C2(c3noc(-c4ccc([N+](=O)[O-])cn4)n3)CC2)c1 ZINC000520658931 459082800 /nfs/dbraw/zinc/08/28/00/459082800.db2.gz LCLDYFMTERPQDP-UHFFFAOYSA-N 0 0 338.323 3.128 10 5 EGBERN COC(=O)Cc1ccc(NCc2cccc(C)c2OC)c([N+](=O)[O-])c1 ZINC000594596195 459103245 /nfs/dbraw/zinc/10/32/45/459103245.db2.gz PQAUBLBJCYJQKY-UHFFFAOYSA-N 0 0 344.367 3.239 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ncc(C)cc2C)c1 ZINC000594595794 459103617 /nfs/dbraw/zinc/10/36/17/459103617.db2.gz KHTUCARVUPQNAZ-UHFFFAOYSA-N 0 0 329.356 3.048 10 5 EGBERN CC[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594603801 459107536 /nfs/dbraw/zinc/10/75/36/459107536.db2.gz VVDXWJIMRIWMKV-RHSMWYFYSA-N 0 0 347.415 3.247 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(C)(C)Cc2ccccc21 ZINC000590428972 459130071 /nfs/dbraw/zinc/13/00/71/459130071.db2.gz PJKOGANZWHZGIZ-UHFFFAOYSA-N 0 0 342.399 3.105 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCc2ccccc2C1 ZINC000558105427 459132284 /nfs/dbraw/zinc/13/22/84/459132284.db2.gz ZGEODAZORCSPST-UHFFFAOYSA-N 0 0 346.333 3.391 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCOC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594710745 459136010 /nfs/dbraw/zinc/13/60/10/459136010.db2.gz HRJWBYJUVKJKBD-GFCCVEGCSA-N 0 0 341.367 3.107 10 5 EGBERN COC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000578202809 459161593 /nfs/dbraw/zinc/16/15/93/459161593.db2.gz MKTCZOVPYPWZSI-PXAZEXFGSA-N 0 0 346.358 3.341 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2cc(F)c(F)cc21 ZINC000533033590 459179652 /nfs/dbraw/zinc/17/96/52/459179652.db2.gz XNBOABHWPQPTHW-UHFFFAOYSA-N 0 0 347.321 3.183 10 5 EGBERN C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956086 459192230 /nfs/dbraw/zinc/19/22/30/459192230.db2.gz FADNYHPIDBNFLM-IAQYHMDHSA-N 0 0 339.355 3.242 10 5 EGBERN CC(C)(C)C(F)(F)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001333 459211754 /nfs/dbraw/zinc/21/17/54/459211754.db2.gz SGVQTLARUNKVHQ-UHFFFAOYSA-N 0 0 330.331 3.137 10 5 EGBERN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041408 459225748 /nfs/dbraw/zinc/22/57/48/459225748.db2.gz PSXNVPFDKWTSTF-VXGBXAGGSA-N 0 0 331.372 3.419 10 5 EGBERN COc1cnccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041396 459226035 /nfs/dbraw/zinc/22/60/35/459226035.db2.gz PSXNVPFDKWTSTF-NEPJUHHUSA-N 0 0 331.372 3.419 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@H]2C)c1C ZINC000480995953 459226897 /nfs/dbraw/zinc/22/68/97/459226897.db2.gz YNXMLNRSUNPJIO-GFCCVEGCSA-N 0 0 326.418 3.165 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000595107431 459247224 /nfs/dbraw/zinc/24/72/24/459247224.db2.gz CVVDIOYAECIIME-LBPRGKRZSA-N 0 0 335.404 3.091 10 5 EGBERN Cc1c(CC(=O)N2CCOCC23CCCCC3)cccc1[N+](=O)[O-] ZINC000590880269 459256240 /nfs/dbraw/zinc/25/62/40/459256240.db2.gz DVZWMUWZCHKXTR-UHFFFAOYSA-N 0 0 332.400 3.007 10 5 EGBERN C[C@@H](C(=O)N1CC[C@@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000559494802 459263197 /nfs/dbraw/zinc/26/31/97/459263197.db2.gz ACXGKFBAEXQONT-MNOVXSKESA-N 0 0 330.306 3.499 10 5 EGBERN Cc1noc(CN2CCC(OC3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595314137 459274461 /nfs/dbraw/zinc/27/44/61/459274461.db2.gz ZYXGZIOFFLCDQC-UHFFFAOYSA-N 0 0 337.420 3.451 10 5 EGBERN Cc1sc(C(=O)NCc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000523263868 459287713 /nfs/dbraw/zinc/28/77/13/459287713.db2.gz PBXOWLAOMVTOTC-UHFFFAOYSA-N 0 0 342.380 3.146 10 5 EGBERN CC(C)Oc1cc(C(=O)N2CC3(C2)CC(F)(F)C3)ccc1[N+](=O)[O-] ZINC000591071380 459305356 /nfs/dbraw/zinc/30/53/56/459305356.db2.gz HWMZKHNZPYFRTO-UHFFFAOYSA-N 0 0 340.326 3.253 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595453558 459308147 /nfs/dbraw/zinc/30/81/47/459308147.db2.gz PYAGFYOGMCOILW-YVEFUNNKSA-N 0 0 325.368 3.122 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C2CCC2)CC1 ZINC000595471773 459315327 /nfs/dbraw/zinc/31/53/27/459315327.db2.gz QAFOFBLNPDSVBO-UHFFFAOYSA-N 0 0 347.415 3.325 10 5 EGBERN CC[C@H](COCC1CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595479238 459317364 /nfs/dbraw/zinc/31/73/64/459317364.db2.gz DSGWGVMHRKLRCT-SWLSCSKDSA-N 0 0 335.404 3.160 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000595523218 459334219 /nfs/dbraw/zinc/33/42/19/459334219.db2.gz PRKKBMCQRWNNRS-UHFFFAOYSA-N 0 0 343.383 3.320 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000524644588 459377574 /nfs/dbraw/zinc/37/75/74/459377574.db2.gz AQXPAKFLJOCOTR-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3cccnc23)n1 ZINC000569080568 459392105 /nfs/dbraw/zinc/39/21/05/459392105.db2.gz LJSHWPZGEGHJHW-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCCCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000560800435 459397366 /nfs/dbraw/zinc/39/73/66/459397366.db2.gz NUUWTBOIZMCMDB-UHFFFAOYSA-N 0 0 345.403 3.362 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@]1(F)c1ccccc1)OCCO2 ZINC000591640250 459416554 /nfs/dbraw/zinc/41/65/54/459416554.db2.gz ZBKMXTXBBNSOGG-ROUUACIJSA-N 0 0 344.342 3.093 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000595733893 459418686 /nfs/dbraw/zinc/41/86/86/459418686.db2.gz JTCYNXDYNAFOLO-BRWVUGGUSA-N 0 0 332.400 3.149 10 5 EGBERN COC(=O)c1cc(NCc2ccn(C(C)C)n2)cc(C)c1[N+](=O)[O-] ZINC000582879908 459443120 /nfs/dbraw/zinc/44/31/20/459443120.db2.gz CAXKAXPMWXGOHX-UHFFFAOYSA-N 0 0 332.360 3.079 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCO[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000595885414 459474522 /nfs/dbraw/zinc/47/45/22/459474522.db2.gz HIDOVNPAPWPQRB-SECBINFHSA-N 0 0 340.248 3.026 10 5 EGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](CC(F)(F)F)O1 ZINC000595890856 459476607 /nfs/dbraw/zinc/47/66/07/459476607.db2.gz NFWLVJBVMFDMBA-CABZTGNLSA-N 0 0 336.285 3.276 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000485902207 459477287 /nfs/dbraw/zinc/47/72/87/459477287.db2.gz AWCAMVRNCVMERJ-QFBILLFUSA-N 0 0 340.379 3.372 10 5 EGBERN C[S@@](=O)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000591922127 459485411 /nfs/dbraw/zinc/48/54/11/459485411.db2.gz QRPZNGNNTPPZLM-XMMPIXPASA-N 0 0 345.424 3.218 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000596004568 459493470 /nfs/dbraw/zinc/49/34/70/459493470.db2.gz IOGAXOLLHZSYIG-UHFFFAOYSA-N 0 0 348.790 3.196 10 5 EGBERN CCOc1cccc(N[C@@H]2C[C@@H](OCC)[C@H]2SC)c1[N+](=O)[O-] ZINC000591990624 459507134 /nfs/dbraw/zinc/50/71/34/459507134.db2.gz JMESADVLPSNGIG-KYOSRNDESA-N 0 0 326.418 3.314 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592005945 459510309 /nfs/dbraw/zinc/51/03/09/459510309.db2.gz HVUKDJAEQVZTMQ-NWDGAFQWSA-N 0 0 338.408 3.042 10 5 EGBERN COc1cc(N2CCO[C@@H](c3ccco3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156993 459541121 /nfs/dbraw/zinc/54/11/21/459541121.db2.gz VXQNXKRQETWGPO-OAHLLOKOSA-N 0 0 338.747 3.428 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000596185752 459553143 /nfs/dbraw/zinc/55/31/43/459553143.db2.gz PJGNPGFZYVYIFW-JOYOIKCWSA-N 0 0 342.779 3.262 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000497790081 459556719 /nfs/dbraw/zinc/55/67/19/459556719.db2.gz JETJHNQLRTXAIO-PBFPGSCMSA-N 0 0 332.400 3.468 10 5 EGBERN C[C@H](C(=O)N(C)C1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000542540321 459569164 /nfs/dbraw/zinc/56/91/64/459569164.db2.gz BJXUOZVTUWSYPB-LBPRGKRZSA-N 0 0 342.370 3.463 10 5 EGBERN COc1cc(N[C@H]([C@H](CO)C2CC2)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596262958 459578714 /nfs/dbraw/zinc/57/87/14/459578714.db2.gz KNCOLNMXMSGOAQ-BZNIZROVSA-N 0 0 340.807 3.466 10 5 EGBERN COc1cc(N2CCC(c3ccncn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596270824 459579910 /nfs/dbraw/zinc/57/99/10/459579910.db2.gz SPWLWMRJIUEDPQ-UHFFFAOYSA-N 0 0 348.790 3.431 10 5 EGBERN CCOc1cc(N(C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596312277 459592028 /nfs/dbraw/zinc/59/20/28/459592028.db2.gz JGKXHFTWUIKENI-INIZCTEOSA-N 0 0 330.384 3.033 10 5 EGBERN Cc1cc(F)ccc1C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596327696 459597273 /nfs/dbraw/zinc/59/72/73/459597273.db2.gz KPUXQOMYNYOXIF-LLVKDONJSA-N 0 0 333.363 3.160 10 5 EGBERN COC[C@H](CCNc1cc(C)c([N+](=O)[O-])cc1Br)OC ZINC000596332630 459599019 /nfs/dbraw/zinc/59/90/19/459599019.db2.gz ZKYHTPOUTQJWBE-JTQLQIEISA-N 0 0 347.209 3.129 10 5 EGBERN CCOc1cccnc1-c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000583844313 459605291 /nfs/dbraw/zinc/60/52/91/459605291.db2.gz CIJBRQLQBBSFAH-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596365318 459608999 /nfs/dbraw/zinc/60/89/99/459608999.db2.gz BJDQLDXVHGMYIC-AHIWAGSCSA-N 0 0 345.399 3.121 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596369076 459611348 /nfs/dbraw/zinc/61/13/48/459611348.db2.gz NCNDDXJASLKTFK-OGHNNQOOSA-N 0 0 345.399 3.121 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC3(CCCC3)CC2)n1 ZINC000596375709 459613733 /nfs/dbraw/zinc/61/37/33/459613733.db2.gz LNCJAGHQGKBFTE-UHFFFAOYSA-N 0 0 333.388 3.327 10 5 EGBERN COc1cc(CSC[C@H](OC)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000596389400 459618651 /nfs/dbraw/zinc/61/86/51/459618651.db2.gz PHKLPXYCGFZELC-BONVTDFDSA-N 0 0 345.392 3.027 10 5 EGBERN Cc1ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000592515588 459620394 /nfs/dbraw/zinc/62/03/94/459620394.db2.gz JOTCLHVSIFQQKE-JSGCOSHPSA-N 0 0 332.322 3.038 10 5 EGBERN COc1ccc(CC(=O)N2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000543086130 459623724 /nfs/dbraw/zinc/62/37/24/459623724.db2.gz ATWPEGOGLSRFGU-LBPRGKRZSA-N 0 0 326.352 3.249 10 5 EGBERN C[C@@H](SCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000596413190 459628769 /nfs/dbraw/zinc/62/87/69/459628769.db2.gz PDAQJWBBNCUFCH-LLVKDONJSA-N 0 0 335.433 3.373 10 5 EGBERN CSc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000592580775 459635151 /nfs/dbraw/zinc/63/51/51/459635151.db2.gz WWRNWCGVHJPDDM-SNVBAGLBSA-N 0 0 329.381 3.303 10 5 EGBERN Cc1cnc(N2CC3(CCOCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000596446789 459639624 /nfs/dbraw/zinc/63/96/24/459639624.db2.gz OAHQVVSNXCYKMX-OAHLLOKOSA-N 0 0 329.356 3.249 10 5 EGBERN CC[C@H](NC(=O)N1CCCC[C@@H]1[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596452532 459641713 /nfs/dbraw/zinc/64/17/13/459641713.db2.gz GFNOXHUIWAODGP-XOKHGSTOSA-N 0 0 349.431 3.238 10 5 EGBERN O=[N+]([O-])c1c(NC[C@@H]2C[C@H](c3ccccc3)CO2)nc2sccn21 ZINC000596472852 459648995 /nfs/dbraw/zinc/64/89/95/459648995.db2.gz DLUSVGCPISQPLI-STQMWFEESA-N 0 0 344.396 3.289 10 5 EGBERN C[C@@H]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])O1 ZINC000596474819 459649452 /nfs/dbraw/zinc/64/94/52/459649452.db2.gz OVBPZSLRRNOZGF-SCZZXKLOSA-N 0 0 330.182 3.122 10 5 EGBERN CCc1nn(C)c(N2CC[C@](C)(c3cccc(OC)c3)C2)c1[N+](=O)[O-] ZINC000596484286 459653202 /nfs/dbraw/zinc/65/32/02/459653202.db2.gz UGHNDGRVWOPPJQ-SFHVURJKSA-N 0 0 344.415 3.067 10 5 EGBERN CCC(=O)c1ccc(NC[C@H](CC(=O)OC)C2CC2)c([N+](=O)[O-])c1 ZINC000596491257 459655273 /nfs/dbraw/zinc/65/52/73/459655273.db2.gz JNPHVYSRZRULDW-ZDUSSCGKSA-N 0 0 334.372 3.189 10 5 EGBERN COC(=O)Cc1ccc(NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC000596513436 459661779 /nfs/dbraw/zinc/66/17/79/459661779.db2.gz WUNYQCPVJRZDIP-GFCCVEGCSA-N 0 0 328.315 3.014 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCC(F)CC1 ZINC000596514398 459662767 /nfs/dbraw/zinc/66/27/67/459662767.db2.gz LSVKCXDYMWFFRG-VOMCLLRMSA-N 0 0 344.408 3.327 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000592681987 459664499 /nfs/dbraw/zinc/66/44/99/459664499.db2.gz WNDBKWCNSNQZFF-UHFFFAOYSA-N 0 0 339.395 3.280 10 5 EGBERN CCOc1cccc(NCC2(O)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000596527585 459667002 /nfs/dbraw/zinc/66/70/02/459667002.db2.gz IIPPPUKEBLLNMO-UHFFFAOYSA-N 0 0 330.331 3.346 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2ccccc2F)CCC1 ZINC000592690163 459667067 /nfs/dbraw/zinc/66/70/67/459667067.db2.gz KLGCJIVGRQMMRV-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN CC(C)Oc1nc(N2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000596527970 459667241 /nfs/dbraw/zinc/66/72/41/459667241.db2.gz YZBVERSICZXKQF-UHFFFAOYSA-N 0 0 332.360 3.149 10 5 EGBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)[C@@]1(O)CCCOC1 ZINC000596536356 459669813 /nfs/dbraw/zinc/66/98/13/459669813.db2.gz VYVPEHLYSATWMT-GOSISDBHSA-N 0 0 345.399 3.123 10 5 EGBERN C[C@@H](NC(=O)NCC1(O)CCC(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000596542252 459670639 /nfs/dbraw/zinc/67/06/39/459670639.db2.gz OSKXUNSXNVZXQW-CYBMUJFWSA-N 0 0 349.431 3.286 10 5 EGBERN NC(=O)CC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000596549288 459673388 /nfs/dbraw/zinc/67/33/88/459673388.db2.gz IEHNPUCPSLEJHQ-UHFFFAOYSA-N 0 0 342.399 3.381 10 5 EGBERN CC(=O)c1cc(NCC2(CC(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000596551732 459674030 /nfs/dbraw/zinc/67/40/30/459674030.db2.gz LLECLCNPXVJGHY-UHFFFAOYSA-N 0 0 333.388 3.035 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596553368 459674120 /nfs/dbraw/zinc/67/41/20/459674120.db2.gz FIYPNDQRKHJFIF-ZJUUUORDSA-N 0 0 334.294 3.150 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596553364 459674637 /nfs/dbraw/zinc/67/46/37/459674637.db2.gz FIYPNDQRKHJFIF-UWVGGRQHSA-N 0 0 334.294 3.150 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1C[C@]34COC[C@@]3(C1)CCCC4)CCCC2 ZINC000596566745 459679302 /nfs/dbraw/zinc/67/93/02/459679302.db2.gz KGGPKANEZHOSJT-KDURUIRLSA-N 0 0 343.427 3.266 10 5 EGBERN COC(=O)c1cnc([C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)s1 ZINC000596569367 459680299 /nfs/dbraw/zinc/68/02/99/459680299.db2.gz JJCXCVWPBWGLBW-NSHDSACASA-N 0 0 347.396 3.222 10 5 EGBERN CC(=O)c1cc(N2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596573063 459682014 /nfs/dbraw/zinc/68/20/14/459682014.db2.gz SFSRBYLUHUABPS-VFZGTOFNSA-N 0 0 328.315 3.046 10 5 EGBERN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596572611 459682377 /nfs/dbraw/zinc/68/23/77/459682377.db2.gz NVXDXAHOGDOYAX-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000543675616 459682670 /nfs/dbraw/zinc/68/26/70/459682670.db2.gz OCQWFIPAWBWKBT-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN CC1(C)C[C@]1(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596601117 459693535 /nfs/dbraw/zinc/69/35/35/459693535.db2.gz MRNCRQKPDDMOKD-KRWDZBQOSA-N 0 0 330.388 3.106 10 5 EGBERN C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)CC(F)F ZINC000592825872 459699056 /nfs/dbraw/zinc/69/90/56/459699056.db2.gz JCWQIECXGDSPBW-VIFPVBQESA-N 0 0 338.314 3.006 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N=c2[nH][nH]cc2C2CC2)cc1[N+](=O)[O-] ZINC000592827710 459699420 /nfs/dbraw/zinc/69/94/20/459699420.db2.gz GOKGIBDMEJCZLK-UHFFFAOYSA-N 0 0 328.372 3.167 10 5 EGBERN Cc1ccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000596620962 459701604 /nfs/dbraw/zinc/70/16/04/459701604.db2.gz QMAAKJNWZHRFHB-CQSZACIVSA-N 0 0 334.372 3.210 10 5 EGBERN Cc1nc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)[nH]c1C ZINC000596619894 459701972 /nfs/dbraw/zinc/70/19/72/459701972.db2.gz KGTVNTJDYMMOEA-UHFFFAOYSA-N 0 0 327.344 3.311 10 5 EGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000592949127 459722814 /nfs/dbraw/zinc/72/28/14/459722814.db2.gz GHDUNMNFAQLSSK-UHFFFAOYSA-N 0 0 346.387 3.211 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000573765886 459730336 /nfs/dbraw/zinc/73/03/36/459730336.db2.gz CWTJKVFOPVONGU-HUUCEWRRSA-N 0 0 347.415 3.438 10 5 EGBERN Cc1cccc2c1ccnc2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000584407760 459730777 /nfs/dbraw/zinc/73/07/77/459730777.db2.gz YVJXBANJYALLGH-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000593013079 459740002 /nfs/dbraw/zinc/74/00/02/459740002.db2.gz BFDGLIWORNJWGC-NWDGAFQWSA-N 0 0 334.372 3.291 10 5 EGBERN C[C@@](Cc1ccccc1)(NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000584454168 459741836 /nfs/dbraw/zinc/74/18/36/459741836.db2.gz UCXZKYRDBMOEGZ-SFHVURJKSA-N 0 0 325.368 3.131 10 5 EGBERN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000584505688 459755753 /nfs/dbraw/zinc/75/57/53/459755753.db2.gz UUDDVSOZIKXLEF-HNNXBMFYSA-N 0 0 349.774 3.103 10 5 EGBERN COC(=O)c1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000573991500 459766322 /nfs/dbraw/zinc/76/63/22/459766322.db2.gz XIPGBIPJSOQFPR-UHFFFAOYSA-N 0 0 332.356 3.308 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000596817678 459769706 /nfs/dbraw/zinc/76/97/06/459769706.db2.gz QKGBKIQPBHMASX-OAHLLOKOSA-N 0 0 342.355 3.154 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000596823042 459771387 /nfs/dbraw/zinc/77/13/87/459771387.db2.gz NLCVXWQEDRORBZ-CZUORRHYSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596838221 459775741 /nfs/dbraw/zinc/77/57/41/459775741.db2.gz KZTQKEFEKGVXTD-KRWDZBQOSA-N 0 0 333.388 3.244 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000596845541 459777143 /nfs/dbraw/zinc/77/71/43/459777143.db2.gz WYDFEHFJLUUIJM-LLVKDONJSA-N 0 0 329.303 3.016 10 5 EGBERN COc1ccccc1[C@H](C[N+](=O)[O-])[C@H]1CCCC=C1N1CCOCC1 ZINC000584653846 459778890 /nfs/dbraw/zinc/77/88/90/459778890.db2.gz JKWJLOFTSVQTOO-NVXWUHKLSA-N 0 0 346.427 3.072 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596899835 459790136 /nfs/dbraw/zinc/79/01/36/459790136.db2.gz VXRCQNHABBQOAN-CHWSQXEVSA-N 0 0 347.415 3.393 10 5 EGBERN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1ccccc1Cl ZINC000545100302 459801031 /nfs/dbraw/zinc/80/10/31/459801031.db2.gz SYMWJSYQHFEPAA-ZDUSSCGKSA-N 0 0 346.730 3.429 10 5 EGBERN O=C(NC1(c2ccccc2Cl)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000593199247 459805692 /nfs/dbraw/zinc/80/56/92/459805692.db2.gz HGTUWQJTUXCAOR-UHFFFAOYSA-N 0 0 331.759 3.452 10 5 EGBERN C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000584813930 459806057 /nfs/dbraw/zinc/80/60/57/459806057.db2.gz VQCHBOPQJFYLGT-CYBMUJFWSA-N 0 0 344.415 3.450 10 5 EGBERN O=[N+]([O-])c1ccc(CN(Cc2cn(C3CCC3)nn2)C2CC2)cc1 ZINC000596979048 459808765 /nfs/dbraw/zinc/80/87/65/459808765.db2.gz GLNVTBZBIYROCL-UHFFFAOYSA-N 0 0 327.388 3.076 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593217625 459810583 /nfs/dbraw/zinc/81/05/83/459810583.db2.gz BWFJWWYZWQEXIO-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000584876634 459817762 /nfs/dbraw/zinc/81/77/62/459817762.db2.gz KDXPPPXJKJPYOA-LLVKDONJSA-N 0 0 331.294 3.079 10 5 EGBERN Nc1c(NC(=O)NC[C@@H]2CCCSC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597092718 459836369 /nfs/dbraw/zinc/83/63/69/459836369.db2.gz QVBLEBYJSBULBE-QMMMGPOBSA-N 0 0 344.824 3.095 10 5 EGBERN CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098129 459836104 /nfs/dbraw/zinc/83/61/04/459836104.db2.gz SBLYPPGLPFWLBY-KCJUWKMLSA-N 0 0 326.784 3.483 10 5 EGBERN CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098130 459836264 /nfs/dbraw/zinc/83/62/64/459836264.db2.gz SBLYPPGLPFWLBY-KWQFWETISA-N 0 0 326.784 3.483 10 5 EGBERN CSC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597095669 459836552 /nfs/dbraw/zinc/83/65/52/459836552.db2.gz DKSHLBLFZSVJPD-UHFFFAOYSA-N 0 0 344.824 3.238 10 5 EGBERN CC[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(F)(F)F ZINC000597093933 459836708 /nfs/dbraw/zinc/83/67/08/459836708.db2.gz AMVJHFIWPDTVBX-QMMMGPOBSA-N 0 0 340.689 3.293 10 5 EGBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000585740172 459838767 /nfs/dbraw/zinc/83/87/67/459838767.db2.gz BEICWJFWHYHTTN-UHFFFAOYSA-N 0 0 334.397 3.151 10 5 EGBERN Cc1cc(C)c2c(c1)N(C(=O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000593316303 459839003 /nfs/dbraw/zinc/83/90/03/459839003.db2.gz OPTDNIGBCAOIOY-UHFFFAOYSA-N 0 0 342.351 3.016 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298955 459852596 /nfs/dbraw/zinc/85/25/96/459852596.db2.gz YNLUPKLSUBAOOH-YCPHGPKFSA-N 0 0 334.416 3.189 10 5 EGBERN CC(C)(C(=O)N1CC[C@@]2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000593354839 459860258 /nfs/dbraw/zinc/86/02/58/459860258.db2.gz UUWTZJBBOKXIJJ-OAHLLOKOSA-N 0 0 342.317 3.269 10 5 EGBERN Cc1c(C(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000598354099 459876877 /nfs/dbraw/zinc/87/68/77/459876877.db2.gz VSLRRXAWMGNFKO-QZTJIDSGSA-N 0 0 342.395 3.391 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H](C)C2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000598363203 459879036 /nfs/dbraw/zinc/87/90/36/459879036.db2.gz AKLXGVJFIAQUIP-HSBZDZAISA-N 0 0 338.379 3.315 10 5 EGBERN CC(C)Oc1ccc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587169272 459891685 /nfs/dbraw/zinc/89/16/85/459891685.db2.gz DLDFPLSRAGXGAI-UHFFFAOYSA-N 0 0 345.399 3.111 10 5 EGBERN C[C@H](c1cc(F)ccc1F)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587344639 459892437 /nfs/dbraw/zinc/89/24/37/459892437.db2.gz YSCLGAGFNWPLAA-SECBINFHSA-N 0 0 337.326 3.145 10 5 EGBERN Nc1cc(N2CCC[C@@H]2Cc2cccc(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000587325625 459892484 /nfs/dbraw/zinc/89/24/84/459892484.db2.gz JFOQXQZLNIANQM-OAHLLOKOSA-N 0 0 345.374 3.020 10 5 EGBERN Nc1cc(N(Cc2ccc(Cl)cc2)C2CC2)cc(CO)c1[N+](=O)[O-] ZINC000587344552 459892600 /nfs/dbraw/zinc/89/26/00/459892600.db2.gz RZPBCGGZHQCSAF-UHFFFAOYSA-N 0 0 347.802 3.492 10 5 EGBERN CN(CCCNc1ccnc2cc([N+](=O)[O-])ccc21)CC(F)(F)F ZINC000593454778 459894361 /nfs/dbraw/zinc/89/43/61/459894361.db2.gz KOZPWPCHOOCSQF-UHFFFAOYSA-N 0 0 342.321 3.439 10 5 EGBERN CCC[C@@H](Cc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587837847 459894963 /nfs/dbraw/zinc/89/49/63/459894963.db2.gz RLLGQLPSNGMFCF-HNNXBMFYSA-N 0 0 329.400 3.493 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000587972375 459897038 /nfs/dbraw/zinc/89/70/38/459897038.db2.gz SSJNZBMJQATMTF-HNNXBMFYSA-N 0 0 341.367 3.493 10 5 EGBERN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[C@@H]1c1ccccc1 ZINC000587985924 459898090 /nfs/dbraw/zinc/89/80/90/459898090.db2.gz JBBHRRJVAXKXMD-DYVFJYSZSA-N 0 0 341.411 3.299 10 5 EGBERN Nc1cc(NCc2ccccc2OCC2CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982656 459898343 /nfs/dbraw/zinc/89/83/43/459898343.db2.gz DZZUBLQNIDULCT-UHFFFAOYSA-N 0 0 343.383 3.070 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c1 ZINC000588016410 459902703 /nfs/dbraw/zinc/90/27/03/459902703.db2.gz SYSLLCMVHNLPFJ-AWEZNQCLSA-N 0 0 341.411 3.280 10 5 EGBERN CC[C@@H](CC(F)(F)F)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000588017582 459902853 /nfs/dbraw/zinc/90/28/53/459902853.db2.gz QMKDRTGHUDPTSD-QMMMGPOBSA-N 0 0 335.282 3.228 10 5 EGBERN Cc1cc(C)cc([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c1 ZINC000588016411 459903104 /nfs/dbraw/zinc/90/31/04/459903104.db2.gz SYSLLCMVHNLPFJ-CQSZACIVSA-N 0 0 341.411 3.280 10 5 EGBERN CO[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000597282782 459903570 /nfs/dbraw/zinc/90/35/70/459903570.db2.gz RYFKFNLEQUTYRS-KRWDZBQOSA-N 0 0 334.416 3.239 10 5 EGBERN COc1cc(C(=O)NCC(F)(F)C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000598466364 459904792 /nfs/dbraw/zinc/90/47/92/459904792.db2.gz ZOVRUUYAWWMWSR-UHFFFAOYSA-N 0 0 330.331 3.323 10 5 EGBERN Cc1ccc([C@H]2C[C@@H](C)N(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000588035664 459905350 /nfs/dbraw/zinc/90/53/50/459905350.db2.gz BTJJOERTQHFTQU-HIFRSBDPSA-N 0 0 341.411 3.360 10 5 EGBERN COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(C)(C)O1 ZINC000588054695 459907232 /nfs/dbraw/zinc/90/72/32/459907232.db2.gz LUSOYZGOKICUNT-NSHDSACASA-N 0 0 348.321 3.244 10 5 EGBERN CC[C@H](NC(=O)c1cccc([S@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000613716065 459910929 /nfs/dbraw/zinc/91/09/29/459910929.db2.gz TUQLVSZLNQMENT-FYSMJZIKSA-N 0 0 346.408 3.213 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598497761 459919511 /nfs/dbraw/zinc/91/95/11/459919511.db2.gz QWTZEEVKNHLEAC-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)Cc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000597347782 459924555 /nfs/dbraw/zinc/92/45/55/459924555.db2.gz CEYQOFSHBXBHNY-NSHDSACASA-N 0 0 333.775 3.372 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598506315 459924964 /nfs/dbraw/zinc/92/49/64/459924964.db2.gz DWPKTOUOFYMFGB-JQWIXIFHSA-N 0 0 346.305 3.085 10 5 EGBERN CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598549513 459934442 /nfs/dbraw/zinc/93/44/42/459934442.db2.gz CQDXGWFWDIGGQR-JTQLQIEISA-N 0 0 328.315 3.314 10 5 EGBERN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC1(F)F ZINC000588232731 459935185 /nfs/dbraw/zinc/93/51/85/459935185.db2.gz ZPQHPXYSOBTHBQ-GXFFZTMASA-N 0 0 327.331 3.089 10 5 EGBERN COCC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000598555740 459936306 /nfs/dbraw/zinc/93/63/06/459936306.db2.gz QUXSRYHXFKMYDM-UHFFFAOYSA-N 0 0 332.356 3.420 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC1(F)F ZINC000588299474 459943064 /nfs/dbraw/zinc/94/30/64/459943064.db2.gz CWHUAEFCJRVNPT-LBPRGKRZSA-N 0 0 329.303 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593695061 459954185 /nfs/dbraw/zinc/95/41/85/459954185.db2.gz GPHJBTNMGBLNCC-ZDUSSCGKSA-N 0 0 334.269 3.427 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c(C)c1[N+](=O)[O-] ZINC000598611088 459962871 /nfs/dbraw/zinc/96/28/71/459962871.db2.gz RGDOCHQLTJFHGC-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN C[C@@H](Cc1ccco1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597479630 459969566 /nfs/dbraw/zinc/96/95/66/459969566.db2.gz NLKGUICOHBBGOX-NSHDSACASA-N 0 0 336.775 3.379 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000598655636 459980001 /nfs/dbraw/zinc/98/00/01/459980001.db2.gz XOMUFOLMSHXQBT-OLZOCXBDSA-N 0 0 349.431 3.375 10 5 EGBERN CC(C)(NC(=O)NCC[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000598663393 459984012 /nfs/dbraw/zinc/98/40/12/459984012.db2.gz YBFXWMYMVSPCJA-SNVBAGLBSA-N 0 0 327.331 3.174 10 5 EGBERN CC(C)n1cc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000609570389 459985341 /nfs/dbraw/zinc/98/53/41/459985341.db2.gz GLVBJBJJUYWXJP-NSHDSACASA-N 0 0 341.371 3.345 10 5 EGBERN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593784940 459985704 /nfs/dbraw/zinc/98/57/04/459985704.db2.gz WITYETRGAZSADH-MRXNPFEDSA-N 0 0 348.790 3.209 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588869890 459994888 /nfs/dbraw/zinc/99/48/88/459994888.db2.gz UTUMMEVSKAYPQR-UHFFFAOYSA-N 0 0 340.248 3.216 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000597617367 460009458 /nfs/dbraw/zinc/00/94/58/460009458.db2.gz NFKVEEGQPPMHJC-YOEHRIQHSA-N 0 0 339.395 3.187 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]1C(F)(F)F ZINC000597666583 460023204 /nfs/dbraw/zinc/02/32/04/460023204.db2.gz RFXNAYANSZMNLC-SECBINFHSA-N 0 0 342.195 3.390 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597685349 460027220 /nfs/dbraw/zinc/02/72/20/460027220.db2.gz VNTPVSDAVAFZCT-NSHDSACASA-N 0 0 331.372 3.435 10 5 EGBERN CC(C)Oc1cc(C(=O)NCC[C@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000598777329 460030129 /nfs/dbraw/zinc/03/01/29/460030129.db2.gz QUWFLDQLRAZDAC-NSHDSACASA-N 0 0 328.315 3.157 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000598779111 460031384 /nfs/dbraw/zinc/03/13/84/460031384.db2.gz ALXPZTQGMDEMBL-ZETCQYMHSA-N 0 0 349.131 3.132 10 5 EGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598781776 460032034 /nfs/dbraw/zinc/03/20/34/460032034.db2.gz QDRZEWJDTOZFNO-UHFFFAOYSA-N 0 0 328.290 3.486 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728869 460040820 /nfs/dbraw/zinc/04/08/20/460040820.db2.gz ZKRMHWNQSRDIIK-QGZVFWFLSA-N 0 0 338.363 3.011 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1cccnc1 ZINC000598806288 460042723 /nfs/dbraw/zinc/04/27/23/460042723.db2.gz VQJNXXRHQDXDCH-ZDUSSCGKSA-N 0 0 325.368 3.290 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000598832816 460058312 /nfs/dbraw/zinc/05/83/12/460058312.db2.gz SIJHIVODEASHRS-JTQLQIEISA-N 0 0 346.339 3.100 10 5 EGBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610087241 460060905 /nfs/dbraw/zinc/06/09/05/460060905.db2.gz UZKLXFXCKCYOPK-CYBMUJFWSA-N 0 0 326.418 3.247 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3c(F)c(F)cc(F)c3F)nc2c1 ZINC000618585095 460075598 /nfs/dbraw/zinc/07/55/98/460075598.db2.gz UMZYWPZNQRZSOZ-UHFFFAOYSA-N 0 0 340.236 3.062 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000594055508 460076714 /nfs/dbraw/zinc/07/67/14/460076714.db2.gz LAFFAFMYMJVUIW-NSHDSACASA-N 0 0 339.392 3.176 10 5 EGBERN CC1(C)CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000610179355 460077186 /nfs/dbraw/zinc/07/71/86/460077186.db2.gz MEETVOJVIVYBKO-UHFFFAOYSA-N 0 0 334.372 3.065 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C2CC2)C2CC2)cc1OC ZINC000598879085 460080925 /nfs/dbraw/zinc/08/09/25/460080925.db2.gz MAUKEYUJVLJROD-UHFFFAOYSA-N 0 0 348.399 3.311 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594072007 460087355 /nfs/dbraw/zinc/08/73/55/460087355.db2.gz MUHIJUUWEBZKCN-IRXDYDNUSA-N 0 0 347.415 3.104 10 5 EGBERN Cc1cc(C)c(C(=O)NC2CCN(c3sccc3[N+](=O)[O-])CC2)o1 ZINC000598913617 460091862 /nfs/dbraw/zinc/09/18/62/460091862.db2.gz TYDHPXAEHWKJBO-UHFFFAOYSA-N 0 0 349.412 3.265 10 5 EGBERN Cc1nc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)sc1C ZINC000618632218 460094505 /nfs/dbraw/zinc/09/45/05/460094505.db2.gz NFBLUTXRABIKQP-UHFFFAOYSA-N 0 0 349.368 3.082 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2cccnc21 ZINC000598950205 460098683 /nfs/dbraw/zinc/09/86/83/460098683.db2.gz HMXXHCHHRYEEGM-CQSZACIVSA-N 0 0 325.368 3.066 10 5 EGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594094900 460099084 /nfs/dbraw/zinc/09/90/84/460099084.db2.gz QKVKVGMSYYPXCT-JSGCOSHPSA-N 0 0 337.376 3.073 10 5 EGBERN COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000594108964 460104356 /nfs/dbraw/zinc/10/43/56/460104356.db2.gz KITQSJJMYSCVCZ-UHFFFAOYSA-N 0 0 338.429 3.252 10 5 EGBERN C/C=C\C[C@@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598967051 460108024 /nfs/dbraw/zinc/10/80/24/460108024.db2.gz MKFBOMNFMUFACX-VQTKUKTRSA-N 0 0 347.415 3.491 10 5 EGBERN COC[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000594142147 460124283 /nfs/dbraw/zinc/12/42/83/460124283.db2.gz XPTOTVPBYNGHOV-NWDGAFQWSA-N 0 0 340.395 3.405 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002967 460124499 /nfs/dbraw/zinc/12/44/99/460124499.db2.gz GAXKTPZNNGKJMZ-ZJOBFFGXSA-N 0 0 349.431 3.029 10 5 EGBERN Cc1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594165684 460135536 /nfs/dbraw/zinc/13/55/36/460135536.db2.gz QYFXRIHJGKRZJI-YPMHNXCESA-N 0 0 346.305 3.133 10 5 EGBERN CC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594171940 460136136 /nfs/dbraw/zinc/13/61/36/460136136.db2.gz DAPTYRVUAUTWTH-NVXWUHKLSA-N 0 0 345.399 3.013 10 5 EGBERN CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594177437 460138637 /nfs/dbraw/zinc/13/86/37/460138637.db2.gz QKENWBVTPGVWJR-DGCLKSJQSA-N 0 0 326.780 3.326 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594185352 460139956 /nfs/dbraw/zinc/13/99/56/460139956.db2.gz HOFUEJWVNINELT-RHSMWYFYSA-N 0 0 347.415 3.247 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594186385 460140621 /nfs/dbraw/zinc/14/06/21/460140621.db2.gz OPWSOWBQUVOAGC-TZMCWYRMSA-N 0 0 338.429 3.394 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599064713 460146626 /nfs/dbraw/zinc/14/66/26/460146626.db2.gz GSXPWZIXVLZNMC-HOCLYGCPSA-N 0 0 329.400 3.376 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)OC(C)(C)C)C1CCC1 ZINC000594199852 460147392 /nfs/dbraw/zinc/14/73/92/460147392.db2.gz LYLNSHCEKCIPAQ-UHFFFAOYSA-N 0 0 348.399 3.240 10 5 EGBERN Nc1cc(NC[C@H]2CCCCC(F)(F)C2)cc(CO)c1[N+](=O)[O-] ZINC000589870123 460153307 /nfs/dbraw/zinc/15/33/07/460153307.db2.gz XUYPDFHKQOSLKI-JTQLQIEISA-N 0 0 329.347 3.297 10 5 EGBERN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)[nH]1 ZINC000618744233 460153652 /nfs/dbraw/zinc/15/36/52/460153652.db2.gz BHVXKZGMTZFTAG-UHFFFAOYSA-N 0 0 341.289 3.489 10 5 EGBERN CCO[C@@H]1C[C@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1(C)C ZINC000599082032 460154848 /nfs/dbraw/zinc/15/48/48/460154848.db2.gz WXIBWMPSHLVXLO-QAPCUYQASA-N 0 0 345.399 3.121 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598061704 460157366 /nfs/dbraw/zinc/15/73/66/460157366.db2.gz GAINNZIQTRUKSM-UHFFFAOYSA-N 0 0 338.791 3.137 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1Cc3ccccc3CO1)CCN2 ZINC000599123275 460167121 /nfs/dbraw/zinc/16/71/21/460167121.db2.gz DHZGQCREDMOKBX-AWEZNQCLSA-N 0 0 325.368 3.116 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H]2CCCN2CC(F)F)ccc2cnccc21 ZINC000599134633 460170135 /nfs/dbraw/zinc/17/01/35/460170135.db2.gz ZOOSKVHUMXKCMC-GFCCVEGCSA-N 0 0 336.342 3.284 10 5 EGBERN O=[N+]([O-])c1cnc(N2CC(Cc3ccco3)C2)c(Br)c1 ZINC000599152403 460178653 /nfs/dbraw/zinc/17/86/53/460178653.db2.gz XPYKMBKGOFWLTR-UHFFFAOYSA-N 0 0 338.161 3.024 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000599153783 460179651 /nfs/dbraw/zinc/17/96/51/460179651.db2.gz KKBKWGLBZFZBTJ-VXGBXAGGSA-N 0 0 343.318 3.179 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000599153780 460180082 /nfs/dbraw/zinc/18/00/82/460180082.db2.gz KKBKWGLBZFZBTJ-NWDGAFQWSA-N 0 0 343.318 3.179 10 5 EGBERN COC(=O)c1cc(N2CCC(F)(F)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000599162629 460182180 /nfs/dbraw/zinc/18/21/80/460182180.db2.gz OPQJSOQKYAPRHX-JTQLQIEISA-N 0 0 328.315 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC(Cc3nc(C4CCC4)no3)CC2)cn1 ZINC000599168036 460184636 /nfs/dbraw/zinc/18/46/36/460184636.db2.gz ZRNLAYPAOXNQCK-UHFFFAOYSA-N 0 0 343.387 3.099 10 5 EGBERN O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@H](CCF)C3)n2)cc1 ZINC000599168457 460184779 /nfs/dbraw/zinc/18/47/79/460184779.db2.gz DXQPZPQXBYGPRZ-CYBMUJFWSA-N 0 0 337.376 3.283 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(OC2CC2)c1F ZINC000598141027 460186416 /nfs/dbraw/zinc/18/64/16/460186416.db2.gz YOWWSOVGYUAUNX-UHFFFAOYSA-N 0 0 344.342 3.134 10 5 EGBERN COc1cccc2c1CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC000599178525 460189098 /nfs/dbraw/zinc/18/90/98/460189098.db2.gz AEAYNRBKJDHZBC-UHFFFAOYSA-N 0 0 325.368 3.397 10 5 EGBERN CC(C)Cc1ccccc1-c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000599183555 460191258 /nfs/dbraw/zinc/19/12/58/460191258.db2.gz XWFVCALQWZGPLL-UHFFFAOYSA-N 0 0 341.371 3.283 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000599190695 460193441 /nfs/dbraw/zinc/19/34/41/460193441.db2.gz DQEBGCGRWISQSQ-AWEZNQCLSA-N 0 0 342.351 3.081 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610596554 460194054 /nfs/dbraw/zinc/19/40/54/460194054.db2.gz HRPBETKYGAFYIG-KBPBESRZSA-N 0 0 342.399 3.462 10 5 EGBERN COc1cc(N2CC[C@H](c3ccc(O)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000599191225 460195021 /nfs/dbraw/zinc/19/50/21/460195021.db2.gz JJCWCENSUWUAJJ-LBPRGKRZSA-N 0 0 332.331 3.442 10 5 EGBERN COC(=O)c1cc(-c2nc(C3(C)CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000599198181 460197299 /nfs/dbraw/zinc/19/72/99/460197299.db2.gz YZGJYSPOMWUJOJ-UHFFFAOYSA-N 0 0 331.328 3.263 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC2(CC2(F)F)C1 ZINC000594387008 460202412 /nfs/dbraw/zinc/20/24/12/460202412.db2.gz BXPSQZUWRVZTIE-UHFFFAOYSA-N 0 0 336.216 3.095 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594395779 460204255 /nfs/dbraw/zinc/20/42/55/460204255.db2.gz HTFMNHKKSZOVHT-WBVHZDCISA-N 0 0 343.383 3.154 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000598209976 460205410 /nfs/dbraw/zinc/20/54/10/460205410.db2.gz WJFFFOQESIEWEU-RDJZCZTQSA-N 0 0 340.379 3.206 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000598212176 460205938 /nfs/dbraw/zinc/20/59/38/460205938.db2.gz JGTKBXJLGRKHAU-NOZJJQNGSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@]1(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000598217324 460209008 /nfs/dbraw/zinc/20/90/08/460209008.db2.gz YFAWQXRDBLXDSP-OAHLLOKOSA-N 0 0 341.358 3.339 10 5 EGBERN CCOC(=O)c1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000610716383 460223458 /nfs/dbraw/zinc/22/34/58/460223458.db2.gz RZBQXFLSCCEACM-UHFFFAOYSA-N 0 0 338.291 3.124 10 5 EGBERN CC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000610811239 460241081 /nfs/dbraw/zinc/24/10/81/460241081.db2.gz ZRTRONNYRWLOHK-OAHLLOKOSA-N 0 0 342.399 3.088 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc([N+](=O)[O-])c1 ZINC000599531785 460268680 /nfs/dbraw/zinc/26/86/80/460268680.db2.gz PCHUBDHVZXYWMK-UONOGXRCSA-N 0 0 346.364 3.185 10 5 EGBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000599547527 460271830 /nfs/dbraw/zinc/27/18/30/460271830.db2.gz CWDAHYZHMYVUHD-KRWDZBQOSA-N 0 0 344.367 3.159 10 5 EGBERN CSc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000611231025 460312598 /nfs/dbraw/zinc/31/25/98/460312598.db2.gz VSJVZWNQAPGNRA-UHFFFAOYSA-N 0 0 342.380 3.374 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)C(C)(C)CO ZINC000619254587 460314565 /nfs/dbraw/zinc/31/45/65/460314565.db2.gz NEJDPJOMBKGLCF-QGZVFWFLSA-N 0 0 342.395 3.393 10 5 EGBERN COc1ccc(NC(=O)[C@H](C)OCc2ccccc2C)cc1[N+](=O)[O-] ZINC000599744366 460325743 /nfs/dbraw/zinc/32/57/43/460325743.db2.gz KFYKSQWEXXBHNI-ZDUSSCGKSA-N 0 0 344.367 3.456 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccco2)C1 ZINC000599787714 460334033 /nfs/dbraw/zinc/33/40/33/460334033.db2.gz ZQEAXBYZMGJPHX-UHFFFAOYSA-N 0 0 329.356 3.457 10 5 EGBERN COCCCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829017 460342996 /nfs/dbraw/zinc/34/29/96/460342996.db2.gz BGECHFSAKOMHIW-UHFFFAOYSA-N 0 0 332.360 3.081 10 5 EGBERN CCCC[C@@H](COC)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830867 460343654 /nfs/dbraw/zinc/34/36/54/460343654.db2.gz XMOHSKQBLCALDR-LBPRGKRZSA-N 0 0 346.387 3.470 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCCSC1 ZINC000599832092 460343984 /nfs/dbraw/zinc/34/39/84/460343984.db2.gz STJSYVQWVBQSCE-JTQLQIEISA-N 0 0 332.385 3.160 10 5 EGBERN C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831538 460344054 /nfs/dbraw/zinc/34/40/54/460344054.db2.gz OJGLWDDETHTRQW-RYUDHWBXSA-N 0 0 344.371 3.080 10 5 EGBERN CCCCN(CCOC)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830889 460344085 /nfs/dbraw/zinc/34/40/85/460344085.db2.gz YGFPEVZZMSHAOL-UHFFFAOYSA-N 0 0 346.387 3.423 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[C@@H]1C ZINC000599833429 460344733 /nfs/dbraw/zinc/34/47/33/460344733.db2.gz RNIRWZHVLMDKLJ-MEDUHNTESA-N 0 0 344.371 3.032 10 5 EGBERN CO[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[C@H]1C ZINC000599833427 460344801 /nfs/dbraw/zinc/34/48/01/460344801.db2.gz RNIRWZHVLMDKLJ-BZNIZROVSA-N 0 0 344.371 3.032 10 5 EGBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1F ZINC000599833868 460344875 /nfs/dbraw/zinc/34/48/75/460344875.db2.gz ZECBQYNZCWPSHO-ZWNOBZJWSA-N 0 0 332.335 3.355 10 5 EGBERN C[C@H]1SCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835448 460345513 /nfs/dbraw/zinc/34/55/13/460345513.db2.gz WWGQMOMHHGWBSB-SKDRFNHKSA-N 0 0 332.385 3.159 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)OC ZINC000599837396 460345702 /nfs/dbraw/zinc/34/57/02/460345702.db2.gz COTUZDQEYKHJEN-BZNIZROVSA-N 0 0 346.387 3.326 10 5 EGBERN CCOCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599839020 460346259 /nfs/dbraw/zinc/34/62/59/460346259.db2.gz NNIROWLHDYKXLD-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN COC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCC1 ZINC000599841290 460347185 /nfs/dbraw/zinc/34/71/85/460347185.db2.gz XFLSKNUMWVKIJS-UHFFFAOYSA-N 0 0 344.371 3.224 10 5 EGBERN O=C(NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611509959 460383216 /nfs/dbraw/zinc/38/32/16/460383216.db2.gz QCXWSBAZRYCCAC-UHFFFAOYSA-N 0 0 346.673 3.373 10 5 EGBERN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521530 460385486 /nfs/dbraw/zinc/38/54/86/460385486.db2.gz QMHVPXFVDYJPPC-BLLLJJGKSA-N 0 0 332.379 3.175 10 5 EGBERN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521531 460386530 /nfs/dbraw/zinc/38/65/30/460386530.db2.gz QMHVPXFVDYJPPC-LRDDRELGSA-N 0 0 332.379 3.175 10 5 EGBERN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)no1 ZINC000611534233 460390542 /nfs/dbraw/zinc/39/05/42/460390542.db2.gz MSTYHXITTMSYGI-CYBMUJFWSA-N 0 0 347.375 3.187 10 5 EGBERN Cn1ccnc1[C@H](NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000611560294 460398773 /nfs/dbraw/zinc/39/87/73/460398773.db2.gz PZVVYZOFWQHCRI-OAHLLOKOSA-N 0 0 346.774 3.454 10 5 EGBERN CCC(CC)C(=O)N1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616591 460414874 /nfs/dbraw/zinc/41/48/74/460414874.db2.gz FKZHAPZAPFPCNB-UHFFFAOYSA-N 0 0 348.447 3.446 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1 ZINC000611616273 460415162 /nfs/dbraw/zinc/41/51/62/460415162.db2.gz UQJLOMBOTXEFRR-ZDUSSCGKSA-N 0 0 345.403 3.497 10 5 EGBERN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1(F)F ZINC000600185987 460427840 /nfs/dbraw/zinc/42/78/40/460427840.db2.gz WYRRPRBBZXJHBV-NXEZZACHSA-N 0 0 337.326 3.439 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000604476371 460430648 /nfs/dbraw/zinc/43/06/48/460430648.db2.gz XLZVYUJBDDMWMT-UHFFFAOYSA-N 0 0 333.294 3.145 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@H](CCF)C2)o1 ZINC000600205964 460439681 /nfs/dbraw/zinc/43/96/81/460439681.db2.gz VUVUYAHSDHFTRK-CYBMUJFWSA-N 0 0 334.347 3.415 10 5 EGBERN Cc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000604564808 460448629 /nfs/dbraw/zinc/44/86/29/460448629.db2.gz MIEPIPMVYONLCZ-UHFFFAOYSA-N 0 0 327.384 3.278 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000600226910 460451520 /nfs/dbraw/zinc/45/15/20/460451520.db2.gz VMABSUMWIQOSFU-UHFFFAOYSA-N 0 0 344.396 3.208 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000611764042 460455776 /nfs/dbraw/zinc/45/57/76/460455776.db2.gz ZRYHZKRWAUXCCL-CQSZACIVSA-N 0 0 335.367 3.002 10 5 EGBERN Cc1cc(N[C@H]2CCC[C@@H](O)C2)c(Br)cc1[N+](=O)[O-] ZINC000616055160 460460868 /nfs/dbraw/zinc/46/08/68/460460868.db2.gz RJWWYOGOSZBBEE-VHSXEESVSA-N 0 0 329.194 3.381 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600268462 460461426 /nfs/dbraw/zinc/46/14/26/460461426.db2.gz BVJNVVYEPCUJIA-NSHDSACASA-N 0 0 338.379 3.253 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271148 460462651 /nfs/dbraw/zinc/46/26/51/460462651.db2.gz ICHAHJZSLMIZTJ-FXUDXRNXSA-N 0 0 332.425 3.195 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600277833 460463701 /nfs/dbraw/zinc/46/37/01/460463701.db2.gz CUGDSFKIWKIWSD-OLZOCXBDSA-N 0 0 336.413 3.104 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600279825 460464008 /nfs/dbraw/zinc/46/40/08/460464008.db2.gz WOXYVJJHQNNQHA-NEPJUHHUSA-N 0 0 331.397 3.186 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccn1)C1CCC1 ZINC000600300644 460467073 /nfs/dbraw/zinc/46/70/73/460467073.db2.gz GDCZQJDMZZDONK-SFHVURJKSA-N 0 0 325.368 3.190 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600361307 460481476 /nfs/dbraw/zinc/48/14/76/460481476.db2.gz ILZSIKPFPXFVRW-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN CCCOc1cncc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1 ZINC000600364630 460483494 /nfs/dbraw/zinc/48/34/94/460483494.db2.gz GLWAUKKUSUZYBW-UHFFFAOYSA-N 0 0 330.344 3.073 10 5 EGBERN CCCOc1cncc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000600367983 460484664 /nfs/dbraw/zinc/48/46/64/460484664.db2.gz VRUDENAFEGWKNL-UHFFFAOYSA-N 0 0 331.328 3.040 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000600390458 460487614 /nfs/dbraw/zinc/48/76/14/460487614.db2.gz TZZCBZFAWQYSOD-UHFFFAOYSA-N 0 0 332.322 3.464 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600396721 460488992 /nfs/dbraw/zinc/48/89/92/460488992.db2.gz ZYJJARQYAJENPI-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600431305 460494331 /nfs/dbraw/zinc/49/43/31/460494331.db2.gz USYTUHFUJYJLAO-AWEZNQCLSA-N 0 0 331.347 3.470 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)COc1cccc([N+](=O)[O-])c1C ZINC000600519855 460510422 /nfs/dbraw/zinc/51/04/22/460510422.db2.gz GPWSKIKGYCPYKF-UHFFFAOYSA-N 0 0 334.294 3.083 10 5 EGBERN CCCN(CC(F)(F)F)C(=O)CNc1cccc([N+](=O)[O-])c1C ZINC000600543470 460516279 /nfs/dbraw/zinc/51/62/79/460516279.db2.gz AYEVYTAHHSWKJI-UHFFFAOYSA-N 0 0 333.310 3.116 10 5 EGBERN Cn1ncc(C2CCC2)c1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601195221 460747521 /nfs/dbraw/zinc/74/75/21/460747521.db2.gz HSBYCBYSBVPNGZ-UHFFFAOYSA-N 0 0 337.383 3.178 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC2(CCc3ccccc3O2)CC1 ZINC000601196802 460747640 /nfs/dbraw/zinc/74/76/40/460747640.db2.gz WCLYSDHZJYVJML-UHFFFAOYSA-N 0 0 343.358 3.493 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000601199269 460748712 /nfs/dbraw/zinc/74/87/12/460748712.db2.gz RORJAZYQMMJZGX-NSHDSACASA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(CCF)CC2)c(Br)c1 ZINC000601218083 460754753 /nfs/dbraw/zinc/75/47/53/460754753.db2.gz RKBVWIBPBJBGRQ-UHFFFAOYSA-N 0 0 332.173 3.328 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601254440 460766585 /nfs/dbraw/zinc/76/65/85/460766585.db2.gz BJFQGGVTUTUXCR-NSHDSACASA-N 0 0 346.774 3.495 10 5 EGBERN CC[C@H](NC(=O)c1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601280134 460774126 /nfs/dbraw/zinc/77/41/26/460774126.db2.gz CURNGKRCDHEFGH-INIZCTEOSA-N 0 0 342.399 3.473 10 5 EGBERN CCN(c1ccccc1C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601284582 460775627 /nfs/dbraw/zinc/77/56/27/460775627.db2.gz KSRNQKVKPMPVCX-UHFFFAOYSA-N 0 0 340.426 3.488 10 5 EGBERN Cc1c(-c2noc(Cc3cnn4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000601379568 460799674 /nfs/dbraw/zinc/79/96/74/460799674.db2.gz AOQMWXCGQDDXKW-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N(c2ccccc2)C2CCC2)c1 ZINC000601500081 460819451 /nfs/dbraw/zinc/81/94/51/460819451.db2.gz OHZXZOLDWAQHGU-UHFFFAOYSA-N 0 0 332.381 3.343 10 5 EGBERN COC(=O)c1ccc(Oc2ncnc3c(C)cccc23)cc1[N+](=O)[O-] ZINC000613114326 460832500 /nfs/dbraw/zinc/83/25/00/460832500.db2.gz XYVAUXNNCNBXHY-UHFFFAOYSA-N 0 0 339.307 3.425 10 5 EGBERN CCCN(Cc1ccccc1F)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617367237 460833389 /nfs/dbraw/zinc/83/33/89/460833389.db2.gz YNNDLUGZZISTOD-UHFFFAOYSA-N 0 0 334.351 3.003 10 5 EGBERN CC(C)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000601595105 460841705 /nfs/dbraw/zinc/84/17/05/460841705.db2.gz HKYWTAREQOXHAU-UONOGXRCSA-N 0 0 332.400 3.009 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000601598969 460843250 /nfs/dbraw/zinc/84/32/50/460843250.db2.gz SQPOGDXULUXRPP-GFCCVEGCSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1C ZINC000601625554 460850439 /nfs/dbraw/zinc/85/04/39/460850439.db2.gz MRJJBYVFPJPTKF-UHFFFAOYSA-N 0 0 339.395 3.345 10 5 EGBERN Cc1ccc(CN(CC2CC2)C(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000601650411 460857043 /nfs/dbraw/zinc/85/70/43/460857043.db2.gz CWBRXASISLVQBD-UHFFFAOYSA-N 0 0 343.358 3.490 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000601653620 460857947 /nfs/dbraw/zinc/85/79/47/460857947.db2.gz BWDAHZNMJPPSAY-CYBMUJFWSA-N 0 0 329.331 3.149 10 5 EGBERN Cc1ccncc1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601664349 460862483 /nfs/dbraw/zinc/86/24/83/460862483.db2.gz MMVDJTHIILRGCE-UHFFFAOYSA-N 0 0 339.395 3.079 10 5 EGBERN O=C(NCCCc1ccco1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601670508 460864111 /nfs/dbraw/zinc/86/41/11/460864111.db2.gz KCDVPFYVDDZHJR-UHFFFAOYSA-N 0 0 328.368 3.359 10 5 EGBERN Cc1nn(CCC(=O)N2CC(C)(C)[C@@H]2c2ccco2)c(C)c1[N+](=O)[O-] ZINC000601699631 460875841 /nfs/dbraw/zinc/87/58/41/460875841.db2.gz POZLUEWJTKFNGK-INIZCTEOSA-N 0 0 346.387 3.001 10 5 EGBERN CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000601701691 460876908 /nfs/dbraw/zinc/87/69/08/460876908.db2.gz WZTDQQJAHSLKLR-MRXNPFEDSA-N 0 0 330.340 3.176 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC12CC2 ZINC000601705621 460877632 /nfs/dbraw/zinc/87/76/32/460877632.db2.gz QCPXBTSBSWOIIF-YGRLFVJLSA-N 0 0 338.791 3.464 10 5 EGBERN CCc1[nH]nc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000601715079 460881104 /nfs/dbraw/zinc/88/11/04/460881104.db2.gz NCDMGFOSUWZXPJ-NSHDSACASA-N 0 0 328.372 3.326 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601743040 460886911 /nfs/dbraw/zinc/88/69/11/460886911.db2.gz KHJYGPJVZQBXCB-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN Cc1cc(C(=O)N2CCC(Cc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000601742465 460887122 /nfs/dbraw/zinc/88/71/22/460887122.db2.gz DUVHLWMNCGVUCI-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601743357 460887193 /nfs/dbraw/zinc/88/71/93/460887193.db2.gz OQWDJQARJOQYHV-UHFFFAOYSA-N 0 0 345.424 3.455 10 5 EGBERN COCC1(C2CC2)CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000601770827 460894509 /nfs/dbraw/zinc/89/45/09/460894509.db2.gz ZCFOSFUUVAVVGG-UHFFFAOYSA-N 0 0 332.400 3.019 10 5 EGBERN CC1=C(C)C[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601776307 460895446 /nfs/dbraw/zinc/89/54/46/460895446.db2.gz IOSYYLBGRZXLHY-KDOFPFPSSA-N 0 0 332.400 3.055 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601880611 460934989 /nfs/dbraw/zinc/93/49/89/460934989.db2.gz CGGIQRCKRLUXFR-IRXDYDNUSA-N 0 0 346.427 3.336 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178245377 534093993 /nfs/dbraw/zinc/09/39/93/534093993.db2.gz QZEJLBBYIVQSER-RYUDHWBXSA-N 0 0 331.338 3.224 10 5 EGBERN Cn1cccc1[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173555071 534783398 /nfs/dbraw/zinc/78/33/98/534783398.db2.gz SMAFJBVWBSFGAE-QGZVFWFLSA-N 0 0 327.384 3.230 10 5 EGBERN Cc1csc(CCCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000171472330 534801583 /nfs/dbraw/zinc/80/15/83/534801583.db2.gz DRWBOYQACUREHY-UHFFFAOYSA-N 0 0 339.442 3.482 10 5 EGBERN CCOC[C@@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000176686679 528934689 /nfs/dbraw/zinc/93/46/89/528934689.db2.gz UGODDUPLXUEWCH-CZUORRHYSA-N 0 0 335.404 3.114 10 5 EGBERN CCOC(=O)[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000359102548 535468470 /nfs/dbraw/zinc/46/84/70/535468470.db2.gz SEIXWNQSYVORAJ-HNNXBMFYSA-N 0 0 343.383 3.365 10 5 EGBERN COc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000170981930 537061987 /nfs/dbraw/zinc/06/19/87/537061987.db2.gz QYQKWKFOXDHXJH-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN COC(=O)c1ccc(OCCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000427097070 547888965 /nfs/dbraw/zinc/88/89/65/547888965.db2.gz OBUCDMVHRYJHEH-UHFFFAOYSA-N 0 0 337.278 3.281 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1(C(F)(F)F)CC1 ZINC000726323514 574548163 /nfs/dbraw/zinc/54/81/63/574548163.db2.gz KEEQGQZLZVAFOE-UHFFFAOYSA-N 0 0 333.262 3.379 10 5 EGBERN O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000727710446 574686843 /nfs/dbraw/zinc/68/68/43/574686843.db2.gz MPTWIGRMXCWEKU-AWEZNQCLSA-N 0 0 336.269 3.429 10 5 EGBERN CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000728344894 574741551 /nfs/dbraw/zinc/74/15/51/574741551.db2.gz SGFQLYOAFYLMHV-UHFFFAOYSA-N 0 0 345.326 3.438 10 5 EGBERN Cc1cc(C(=O)N[C@H]2CCc3c2cccc3F)c(N)c([N+](=O)[O-])c1 ZINC000729528576 574869358 /nfs/dbraw/zinc/86/93/58/574869358.db2.gz ZOVHGHKKJTXBAB-AWEZNQCLSA-N 0 0 329.331 3.042 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000730193221 574940291 /nfs/dbraw/zinc/94/02/91/574940291.db2.gz SKAFKJAQRBPLMH-NLZINVLXSA-N 0 0 332.400 3.416 10 5 EGBERN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000730455561 574989310 /nfs/dbraw/zinc/98/93/10/574989310.db2.gz BYSSMRGNOGZYAV-ZWKOTPCHSA-N 0 0 339.395 3.427 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000731030503 575046732 /nfs/dbraw/zinc/04/67/32/575046732.db2.gz RWILEZAMMCBGAA-QGZVFWFLSA-N 0 0 331.347 3.079 10 5 EGBERN CC[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000731720224 575201706 /nfs/dbraw/zinc/20/17/06/575201706.db2.gz DFKWEDHMUMMZFJ-CQSZACIVSA-N 0 0 346.339 3.119 10 5 EGBERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000733684065 575382932 /nfs/dbraw/zinc/38/29/32/575382932.db2.gz PMYOXGBXMUMOIH-CZUORRHYSA-N 0 0 348.399 3.236 10 5 EGBERN C[C@H]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000734404948 575481074 /nfs/dbraw/zinc/48/10/74/575481074.db2.gz OPDONDJIJGKOSK-NWDGAFQWSA-N 0 0 335.360 3.449 10 5 EGBERN COC(=O)c1cc(C(=O)OC[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000735128195 575607081 /nfs/dbraw/zinc/60/70/81/575607081.db2.gz WHJSEFUQCKRQNB-LBPRGKRZSA-N 0 0 343.335 3.342 10 5 EGBERN C[C@H](CC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000735209697 575621660 /nfs/dbraw/zinc/62/16/60/575621660.db2.gz DQGZTMKGLGDDJS-CQSZACIVSA-N 0 0 331.372 3.027 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000743545128 576811600 /nfs/dbraw/zinc/81/16/00/576811600.db2.gz MCYCVBRFUZNKKF-LBPRGKRZSA-N 0 0 344.415 3.275 10 5 EGBERN CCCc1ncc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000744073882 576819928 /nfs/dbraw/zinc/81/99/28/576819928.db2.gz IBDMYMCWLWMUBP-UHFFFAOYSA-N 0 0 349.412 3.297 10 5 EGBERN C[C@@H](OC(=O)/C=C/C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000745551386 576849858 /nfs/dbraw/zinc/84/98/58/576849858.db2.gz MBBTXNAFXFFXIJ-ILFKPUCNSA-N 0 0 338.747 3.085 10 5 EGBERN O=[N+]([O-])c1cc(NS(=O)(=O)/C=C\c2ccccc2)c(F)cc1F ZINC000056696763 1291832758 /nfs/dbraw/zinc/83/27/58/1291832758.db2.gz IYGDODNEKBKMEP-SREVYHEPSA-N 0 0 340.307 3.286 10 5 EGBERN CCCCCCOCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000068104195 1292186200 /nfs/dbraw/zinc/18/62/00/1292186200.db2.gz ZFTHUCIIHPZFPG-UHFFFAOYSA-N 0 0 346.387 3.316 10 5 EGBERN CCc1ccc(OC(=O)Cn2ncc3ccccc32)c([N+](=O)[O-])c1 ZINC000115926280 1293197656 /nfs/dbraw/zinc/19/76/56/1293197656.db2.gz AOEMCDONEKRGNO-UHFFFAOYSA-N 0 0 325.324 3.113 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)OCCC(F)(F)F)cc1OC ZINC000122771002 1293424055 /nfs/dbraw/zinc/42/40/55/1293424055.db2.gz GAQSOXFPGVRVHB-UHFFFAOYSA-N 0 0 337.250 3.111 10 5 EGBERN Cc1ccc([C@H](C)CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000127371160 1293561620 /nfs/dbraw/zinc/56/16/20/1293561620.db2.gz HYCGXKQRDQQQRJ-CYBMUJFWSA-N 0 0 346.358 3.341 10 5 EGBERN CC(=O)c1cc(C)ccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134109783 1293763054 /nfs/dbraw/zinc/76/30/54/1293763054.db2.gz RUWAUZINWDQKCJ-UHFFFAOYSA-N 0 0 349.364 3.015 10 5 EGBERN CCOC(=O)[C@H](CC)Oc1cccc([N+](=O)[O-])c1Br ZINC000135104698 1293787783 /nfs/dbraw/zinc/78/77/83/1293787783.db2.gz KPXJSJIWYUBVEK-VIFPVBQESA-N 0 0 332.150 3.078 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1cccc(Br)c1 ZINC000138159640 1293833883 /nfs/dbraw/zinc/83/38/83/1293833883.db2.gz CNPBFIUYVRPQQQ-UHFFFAOYSA-N 0 0 339.145 3.053 10 5 EGBERN C[C@@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171118495 1294394704 /nfs/dbraw/zinc/39/47/04/1294394704.db2.gz CBJCPVXTNVBJJC-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN CN1CCOc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000173949308 1294474718 /nfs/dbraw/zinc/47/47/18/1294474718.db2.gz CNJKHRFTRRMWJN-UHFFFAOYSA-N 0 0 347.758 3.329 10 5 EGBERN CC(C)(C)n1cccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c1=O ZINC000869977976 1295570103 /nfs/dbraw/zinc/57/01/03/1295570103.db2.gz LAUTWBLBMWKPFN-UHFFFAOYSA-N 0 0 348.330 3.008 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)OCCSc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000870278359 1295783906 /nfs/dbraw/zinc/78/39/06/1295783906.db2.gz KFQIAFJYTLDSMS-UHIISALHSA-N 0 0 325.386 3.044 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000870730506 1296048963 /nfs/dbraw/zinc/04/89/63/1296048963.db2.gz UZGIXSRZHQSIJZ-MNOVXSKESA-N 0 0 326.780 3.196 10 5 EGBERN Cc1ccc(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000870818975 1296100562 /nfs/dbraw/zinc/10/05/62/1296100562.db2.gz SFCNDLQNWPMOIM-XYPYZODXSA-N 0 0 333.262 3.170 10 5 EGBERN C/C(=C/C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870829661 1296107702 /nfs/dbraw/zinc/10/77/02/1296107702.db2.gz NOTHDJWZFKEQTI-WDZFZDKYSA-N 0 0 345.330 3.281 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830440 1296107864 /nfs/dbraw/zinc/10/78/64/1296107864.db2.gz BWLRBNFGIWMERS-MPCAOIJTSA-N 0 0 341.367 3.150 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000871309741 1296338663 /nfs/dbraw/zinc/33/86/63/1296338663.db2.gz JSFIZUWIUJITHM-WMLDXEAASA-N 0 0 332.400 3.147 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000871326116 1296351174 /nfs/dbraw/zinc/35/11/74/1296351174.db2.gz AXJJZQGHRCYHBG-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000871338757 1296360877 /nfs/dbraw/zinc/36/08/77/1296360877.db2.gz RIKOFOCBBQEJLR-OAHLLOKOSA-N 0 0 332.400 3.467 10 5 EGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871338292 1296361056 /nfs/dbraw/zinc/36/10/56/1296361056.db2.gz FQGITMKUPWBSJE-INIZCTEOSA-N 0 0 332.400 3.088 10 5 EGBERN CCn1c(SCc2nocc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000871659746 1296471174 /nfs/dbraw/zinc/47/11/74/1296471174.db2.gz UEHGELORQBVQEJ-UHFFFAOYSA-N 0 0 345.384 3.462 10 5 EGBERN CCOC(=O)c1cccc(CNc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871828490 1296550819 /nfs/dbraw/zinc/55/08/19/1296550819.db2.gz BVKYFEXIJXFEBR-UHFFFAOYSA-N 0 0 329.356 3.395 10 5 EGBERN O=C([O-])C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000871881658 1296591578 /nfs/dbraw/zinc/59/15/78/1296591578.db2.gz CQLDUOHFVLGDDX-UHFFFAOYSA-N 0 0 332.381 3.276 10 5 EGBERN C[C@H](NCC(=O)N(C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041638 1296690945 /nfs/dbraw/zinc/69/09/45/1296690945.db2.gz VLPNRDVXUYLUSA-LBPRGKRZSA-N 0 0 337.395 3.176 10 5 EGBERN CC[C@@H](CCc1cccnc1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000873589141 1297615329 /nfs/dbraw/zinc/61/53/29/1297615329.db2.gz UAYHDSFWAWLGFQ-INIZCTEOSA-N 0 0 328.368 3.487 10 5 EGBERN CC(C)(C(=O)N1CC(CC2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000881923924 1301758009 /nfs/dbraw/zinc/75/80/09/1301758009.db2.gz VGMAZKJNVFFGLZ-UHFFFAOYSA-N 0 0 346.427 3.148 10 5 EGBERN CC(=O)c1ccc(OC[C@H]2CCC3(CCOCC3)CO2)c([N+](=O)[O-])c1 ZINC000882148443 1301848790 /nfs/dbraw/zinc/84/87/90/1301848790.db2.gz WMKUWZOWNATVMF-OAHLLOKOSA-N 0 0 349.383 3.152 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000882157233 1301851180 /nfs/dbraw/zinc/85/11/80/1301851180.db2.gz NLSVVIQMVZDJGA-HUUCEWRRSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC2(CCOCC2)CO1 ZINC000882787008 1302104150 /nfs/dbraw/zinc/10/41/50/1302104150.db2.gz CYWATWCKSSCDMH-OAHLLOKOSA-N 0 0 348.399 3.185 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000882787007 1302104232 /nfs/dbraw/zinc/10/42/32/1302104232.db2.gz CYWATWCKSSCDMH-HNNXBMFYSA-N 0 0 348.399 3.185 10 5 EGBERN C[C@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000883553122 1302496380 /nfs/dbraw/zinc/49/63/80/1302496380.db2.gz LHWHYBUKEJYYLZ-MJEQTWJJSA-N 0 0 333.388 3.057 10 5 EGBERN O=C1COc2cc(NC/C=C\c3ccccc3[N+](=O)[O-])ccc2N1 ZINC000885679321 1303232750 /nfs/dbraw/zinc/23/27/50/1303232750.db2.gz AWJSOBSEYHRGAO-HYXAFXHYSA-N 0 0 325.324 3.051 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000893495937 1305928628 /nfs/dbraw/zinc/92/86/28/1305928628.db2.gz WELQSHYUKRAOCJ-ZFWWWQNUSA-N 0 0 337.372 3.211 10 5 EGBERN CC/C(C)=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893617399 1305988183 /nfs/dbraw/zinc/98/81/83/1305988183.db2.gz BDYCZYPRXWQPKE-RMKNXTFCSA-N 0 0 327.178 3.330 10 5 EGBERN CC[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893855709 1306099814 /nfs/dbraw/zinc/09/98/14/1306099814.db2.gz HCJDBLWAVMMCHF-YPMHNXCESA-N 0 0 338.429 3.252 10 5 EGBERN CC[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000893855745 1306100004 /nfs/dbraw/zinc/10/00/04/1306100004.db2.gz IDLSVFXZQKRVSR-GJZGRUSLSA-N 0 0 334.416 3.455 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000894337853 1306349090 /nfs/dbraw/zinc/34/90/90/1306349090.db2.gz RYTJXUMQWRHEQR-OCAPTIKFSA-N 0 0 347.223 3.337 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894403713 1308857963 /nfs/dbraw/zinc/85/79/63/1308857963.db2.gz XYCMDJWQWPRQNA-GFCCVEGCSA-N 0 0 338.791 3.246 10 5 EGBERN C/C(=C/C(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000894403296 1308857973 /nfs/dbraw/zinc/85/79/73/1308857973.db2.gz VEIKANMEYDHAES-RCBBPTIPSA-N 0 0 330.384 3.074 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC2(CCC2)CO1 ZINC000894530851 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3.465 10 5 EGBERN CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)O1 ZINC000931611919 1329153123 /nfs/dbraw/zinc/15/31/23/1329153123.db2.gz VVTVLEBFZZZFNF-NSHDSACASA-N 0 0 325.340 3.203 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC000860162360 1329163339 /nfs/dbraw/zinc/16/33/39/1329163339.db2.gz NDSXZTURIQQEGF-QWHCGFSZSA-N 0 0 348.336 3.411 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000925249756 1325097010 /nfs/dbraw/zinc/09/70/10/1325097010.db2.gz AKRVGJYGGNSSIV-CZUORRHYSA-N 0 0 347.415 3.447 10 5 EGBERN C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860555227 1329330272 /nfs/dbraw/zinc/33/02/72/1329330272.db2.gz GOYMYYJDYLMEEB-QWHCGFSZSA-N 0 0 328.368 3.293 10 5 EGBERN CC(C)(CCCO)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860578136 1329332539 /nfs/dbraw/zinc/33/25/39/1329332539.db2.gz RXFYRBRYCTURCZ-UHFFFAOYSA-N 0 0 330.384 3.277 10 5 EGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1O ZINC000860620894 1329336895 /nfs/dbraw/zinc/33/68/95/1329336895.db2.gz ZRINMQHMWSXPLC-WCQYABFASA-N 0 0 340.807 3.117 10 5 EGBERN CCO[C@@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000860647897 1329339783 /nfs/dbraw/zinc/33/97/83/1329339783.db2.gz BUHDYUYRTVGQGJ-CQSZACIVSA-N 0 0 325.386 3.045 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927295155 1327961152 /nfs/dbraw/zinc/96/11/52/1327961152.db2.gz SSBZCESNDBKMLC-GFCCVEGCSA-N 0 0 332.253 3.101 10 5 EGBERN COc1c(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000927396383 1328004269 /nfs/dbraw/zinc/00/42/69/1328004269.db2.gz AEJKZQPHNYOTDL-YOGCLGLASA-N 0 0 336.413 3.007 10 5 EGBERN C/C=C/CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000861177475 1329394643 /nfs/dbraw/zinc/39/46/43/1329394643.db2.gz KYYNGUFTFBFTRB-VUDBWIFFSA-N 0 0 335.257 3.213 10 5 EGBERN O=C(NC[C@]12C[C@H]1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000927703931 1328112996 /nfs/dbraw/zinc/11/29/96/1328112996.db2.gz LFJKIXDJSFBZBQ-KDOFPFPSSA-N 0 0 329.400 3.459 10 5 EGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccs2)C1 ZINC000928272592 1328269026 /nfs/dbraw/zinc/26/90/26/1328269026.db2.gz ASTSOVMOKHHLKH-NSHDSACASA-N 0 0 349.387 3.285 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC2(C(F)(F)F)CCCC2)n1 ZINC000861309855 1329406922 /nfs/dbraw/zinc/40/69/22/1329406922.db2.gz FVAYNBUFGBHQGK-UHFFFAOYSA-N 0 0 335.282 3.091 10 5 EGBERN CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000928915629 1328472387 /nfs/dbraw/zinc/47/23/87/1328472387.db2.gz WONSGQTZWOCTCL-UHFFFAOYSA-N 0 0 348.403 3.289 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861531181 1329424528 /nfs/dbraw/zinc/42/45/28/1329424528.db2.gz OWFRYTMFJOSJGG-IRXDYDNUSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@@H]1C2(F)F ZINC000861799663 1329442369 /nfs/dbraw/zinc/44/23/69/1329442369.db2.gz KAGQPJASGSHTQT-GXFFZTMASA-N 0 0 330.718 3.366 10 5 EGBERN C[C@H]1CCC[C@]1(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861841981 1329444842 /nfs/dbraw/zinc/44/48/42/1329444842.db2.gz YGEADSCDHDLJBF-SGTLLEGYSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861841980 1329444897 /nfs/dbraw/zinc/44/48/97/1329444897.db2.gz YGEADSCDHDLJBF-KZULUSFZSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861841979 1329445034 /nfs/dbraw/zinc/44/50/34/1329445034.db2.gz YGEADSCDHDLJBF-KPZWWZAWSA-N 0 0 328.368 3.029 10 5 EGBERN CC(C)O[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862090781 1329458055 /nfs/dbraw/zinc/45/80/55/1329458055.db2.gz PPYPCIMEBDUNOP-OAHLLOKOSA-N 0 0 328.368 3.388 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862142717 1329461840 /nfs/dbraw/zinc/46/18/40/1329461840.db2.gz CKTGEBJQBRBRPG-JTQLQIEISA-N 0 0 328.796 3.429 10 5 EGBERN Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000862629807 1329500402 /nfs/dbraw/zinc/50/04/02/1329500402.db2.gz RMKFWKKZIKWUIL-HNNXBMFYSA-N 0 0 349.406 3.179 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000862944326 1329519023 /nfs/dbraw/zinc/51/90/23/1329519023.db2.gz JXKJATHKAGIMTH-UHFFFAOYSA-N 0 0 333.310 3.117 10 5 EGBERN C/C=C/C[C@@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000863340507 1329548632 /nfs/dbraw/zinc/54/86/32/1329548632.db2.gz KVQGAIMKVAIZPJ-KXMPLOMGSA-N 0 0 343.225 3.190 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCSC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000863355369 1329549655 /nfs/dbraw/zinc/54/96/55/1329549655.db2.gz PHHVWFHXABQIAV-CLLJXQQHSA-N 0 0 341.454 3.148 10 5 EGBERN CN(OCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000863845936 1329585275 /nfs/dbraw/zinc/58/52/75/1329585275.db2.gz KFYUPQWOGUXZFD-UHFFFAOYSA-N 0 0 346.183 3.180 10 5 EGBERN Cc1c(CNC(=O)c2cnn(CC3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000864144341 1329601874 /nfs/dbraw/zinc/60/18/74/1329601874.db2.gz ZHIUHXDTDBDQRV-UHFFFAOYSA-N 0 0 342.399 3.220 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000864906768 1329650920 /nfs/dbraw/zinc/65/09/20/1329650920.db2.gz RSNAPGIFPAXJKI-AEFFLSMTSA-N 0 0 340.379 3.001 10 5 EGBERN O=c1c(Br)cc([N+](=O)[O-])cn1CC1CC2(CCC2)C1 ZINC000865359818 1329688622 /nfs/dbraw/zinc/68/86/22/1329688622.db2.gz WPTIIJMEIWEAAT-UHFFFAOYSA-N 0 0 327.178 3.099 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(F)cc1OC[C@@H]1CC2(CO1)CCOCC2 ZINC000865366302 1329689276 /nfs/dbraw/zinc/68/92/76/1329689276.db2.gz KXWVBSZCOZEBFG-JTQLQIEISA-N 0 0 345.754 3.352 10 5 EGBERN CC1(C)CC[C@H](Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)OC1 ZINC000865369463 1329689432 /nfs/dbraw/zinc/68/94/32/1329689432.db2.gz XGXZVJLGCTZZIW-GFCCVEGCSA-N 0 0 334.351 3.198 10 5 EGBERN C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc2c(c1)OCO2 ZINC000865425954 1329695668 /nfs/dbraw/zinc/69/56/68/1329695668.db2.gz WKQIZWGGMQJZCA-SECBINFHSA-N 0 0 334.303 3.128 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000865426749 1329695720 /nfs/dbraw/zinc/69/57/20/1329695720.db2.gz XPCKBMHMNXSYOF-INIZCTEOSA-N 0 0 331.347 3.079 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(Cl)nc1 ZINC000865452228 1329698998 /nfs/dbraw/zinc/69/89/98/1329698998.db2.gz FHVUSIPITVQZER-UHFFFAOYSA-N 0 0 335.673 3.008 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(N3CCCC3)nn2)c1 ZINC000865606905 1329719127 /nfs/dbraw/zinc/71/91/27/1329719127.db2.gz LZAMTNALYOIBKC-UHFFFAOYSA-N 0 0 333.779 3.251 10 5 EGBERN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000865838470 1329744167 /nfs/dbraw/zinc/74/41/67/1329744167.db2.gz JETMIYZUAZXGTG-LLVKDONJSA-N 0 0 343.412 3.303 10 5 EGBERN CC(C)[C@H]1C[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865851641 1329745672 /nfs/dbraw/zinc/74/56/72/1329745672.db2.gz OIOFQNCONXXWLO-BDJLRTHQSA-N 0 0 326.368 3.089 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000866129556 1330068426 /nfs/dbraw/zinc/06/84/26/1330068426.db2.gz ICSDASNZKMDNRR-IAQYHMDHSA-N 0 0 337.351 3.061 10 5 EGBERN O=[N+]([O-])c1sccc1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000866153664 1330071197 /nfs/dbraw/zinc/07/11/97/1330071197.db2.gz ISQKHSXLISZGCQ-UMSPYCQHSA-N 0 0 338.410 3.073 10 5 EGBERN C[C@]1(C(F)(F)F)CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000866157900 1330071803 /nfs/dbraw/zinc/07/18/03/1330071803.db2.gz DQCXVYHRCGLKBQ-CQSZACIVSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC4(CO3)CCOCC4)ccc2c1 ZINC000866177034 1330073913 /nfs/dbraw/zinc/07/39/13/1330073913.db2.gz UYJOGNOEULSFNC-HNNXBMFYSA-N 0 0 343.383 3.141 10 5 EGBERN Cc1ccc(CNc2nccn3c2nnc3C(C)C)cc1[N+](=O)[O-] ZINC000866182175 1330074514 /nfs/dbraw/zinc/07/45/14/1330074514.db2.gz URRJEYHLNYSADU-UHFFFAOYSA-N 0 0 326.360 3.076 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CSC[C@H]2C1 ZINC000866200220 1330077460 /nfs/dbraw/zinc/07/74/60/1330077460.db2.gz GADCYJWMBQEAFY-VXGBXAGGSA-N 0 0 345.424 3.341 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866260016 1330086705 /nfs/dbraw/zinc/08/67/05/1330086705.db2.gz RUWWUWGWUPYSLN-RHSMWYFYSA-N 0 0 332.331 3.165 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403492 1330107488 /nfs/dbraw/zinc/10/74/88/1330107488.db2.gz QNYOCXBUQMWZAU-CZUORRHYSA-N 0 0 346.456 3.151 10 5 EGBERN O=C(C1CC2(CSC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000866775371 1330147976 /nfs/dbraw/zinc/14/79/76/1330147976.db2.gz BQMNXIRYKLAEJF-UHFFFAOYSA-N 0 0 332.425 3.229 10 5 EGBERN Cc1c(Cc2noc([C@@H]3C[C@H]3C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000866942468 1330159719 /nfs/dbraw/zinc/15/97/19/1330159719.db2.gz UAAWBGLRODTFOB-LSDHHAIUSA-N 0 0 343.383 3.407 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000867292653 1330191526 /nfs/dbraw/zinc/19/15/26/1330191526.db2.gz CBELUZDJZRIWEW-NSHDSACASA-N 0 0 335.360 3.306 10 5 EGBERN COc1ccc([C@H](C)NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000868168340 1330258104 /nfs/dbraw/zinc/25/81/04/1330258104.db2.gz WUQQICDIXGJRRB-ZDUSSCGKSA-N 0 0 343.383 3.472 10 5 EGBERN Cc1ccc(CNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000868461145 1330282419 /nfs/dbraw/zinc/28/24/19/1330282419.db2.gz PUFKUURIJMQKED-HOCLYGCPSA-N 0 0 349.431 3.296 10 5 EGBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000868606063 1330299111 /nfs/dbraw/zinc/29/91/11/1330299111.db2.gz MVHRLPRZWSPJNF-MRVPVSSYSA-N 0 0 325.098 3.381 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868673628 1330312145 /nfs/dbraw/zinc/31/21/45/1330312145.db2.gz WJBKXVFTHWUCCD-DOTOQJQBSA-N 0 0 349.431 3.154 10 5 EGBERN CSCC1(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000868767741 1330337233 /nfs/dbraw/zinc/33/72/33/1330337233.db2.gz HZOJDRIEWCILAA-UHFFFAOYSA-N 0 0 337.445 3.236 10 5 EGBERN CCOC(CN(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC ZINC000868771975 1330338858 /nfs/dbraw/zinc/33/88/58/1330338858.db2.gz PPTOEZQHPZVYQJ-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN Cc1ccc(CNC(=O)N(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000869053412 1330403678 /nfs/dbraw/zinc/40/36/78/1330403678.db2.gz MKGCFLOEFJBBEX-GFCCVEGCSA-N 0 0 348.428 3.305 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C(C)(F)F ZINC000869070996 1330408515 /nfs/dbraw/zinc/40/85/15/1330408515.db2.gz RGBPPGHXEYNCIV-UHFFFAOYSA-N 0 0 343.374 3.460 10 5 EGBERN C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C ZINC000869160598 1330426464 /nfs/dbraw/zinc/42/64/64/1330426464.db2.gz IHFXFWPOAHXVSP-SECBINFHSA-N 0 0 343.221 3.451 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869434836 1330492952 /nfs/dbraw/zinc/49/29/52/1330492952.db2.gz QCUVYVQKJDZESN-UHFFFAOYSA-N 0 0 332.322 3.464 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@]12C[C@@H]1CCCC2 ZINC000869706378 1330549224 /nfs/dbraw/zinc/54/92/24/1330549224.db2.gz KKGMHSQPZKJJBQ-GUYCJALGSA-N 0 0 333.340 3.085 10 5 EGBERN Cc1ccc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000869810442 1330568371 /nfs/dbraw/zinc/56/83/71/1330568371.db2.gz HKCKMUUWDLPTQY-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)c1c(Cl)n[nH]c1C1CC1 ZINC000869901056 1330586657 /nfs/dbraw/zinc/58/66/57/1330586657.db2.gz MRVPNTCACHLYOM-UHFFFAOYSA-N 0 0 327.749 3.267 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)OCCOc1ccccc1[N+](=O)[O-] ZINC001323324269 1387337944 /nfs/dbraw/zinc/33/79/44/1387337944.db2.gz NLTUFHAYICTOOB-UHFFFAOYSA-N 0 0 333.262 3.249 10 5 EGBERN CCCC1CCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC001323452001 1387371664 /nfs/dbraw/zinc/37/16/64/1387371664.db2.gz UVPSAGGRLBPOAC-UHFFFAOYSA-N 0 0 348.399 3.424 10 5 EGBERN CCn1c(CNc2cc(F)c([N+](=O)[O-])cc2CO)nc2ccccc21 ZINC001184644121 1387502528 /nfs/dbraw/zinc/50/25/28/1387502528.db2.gz IQLDKTUWYPKDAV-UHFFFAOYSA-N 0 0 344.346 3.208 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)Cn2cccn2)cc1C ZINC001184865562 1387550492 /nfs/dbraw/zinc/55/04/92/1387550492.db2.gz RKOHZWVXWPTUSQ-GFCCVEGCSA-N 0 0 346.387 3.025 10 5 EGBERN CC(C)Cn1ccnc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001324472203 1387635782 /nfs/dbraw/zinc/63/57/82/1387635782.db2.gz WPVAPCFDEFUAIN-UHFFFAOYSA-N 0 0 336.779 3.031 10 5 EGBERN COC(=O)Cc1ccc(NCc2c(C)cccc2F)c([N+](=O)[O-])c1 ZINC001185498199 1387732361 /nfs/dbraw/zinc/73/23/61/1387732361.db2.gz QQTOLWIGWBPNOI-UHFFFAOYSA-N 0 0 332.331 3.370 10 5 EGBERN Nc1nc(NCCc2ccc(-c3ccccc3)cc2)ncc1[N+](=O)[O-] ZINC001185701924 1387782753 /nfs/dbraw/zinc/78/27/53/1387782753.db2.gz POTUPHOCOGEQKK-UHFFFAOYSA-N 0 0 335.367 3.289 10 5 EGBERN O=[N+]([O-])c1cnc(NCCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC001185756829 1387791008 /nfs/dbraw/zinc/79/10/08/1387791008.db2.gz UKIHRCLWAUKSIE-UHFFFAOYSA-N 0 0 347.133 3.322 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCc3cscn3)c2c1 ZINC001185775455 1387796535 /nfs/dbraw/zinc/79/65/35/1387796535.db2.gz OPMGZUXAEXSYPO-UHFFFAOYSA-N 0 0 335.776 3.303 10 5 EGBERN C[C@H]1CC[C@H](C(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001105436089 1366467548 /nfs/dbraw/zinc/46/75/48/1366467548.db2.gz SJOBUJVWZZYTGK-SHTZXODSSA-N 0 0 333.432 3.316 10 5 EGBERN COC(=O)c1csc(COc2cc(C)c([N+](=O)[O-])cc2Cl)n1 ZINC001189300354 1366982522 /nfs/dbraw/zinc/98/25/22/1366982522.db2.gz SIBNNHFLOOJIDM-UHFFFAOYSA-N 0 0 342.760 3.379 10 5 EGBERN COC(=O)c1cc(COc2c(Cl)cncc2[N+](=O)[O-])cs1 ZINC001189312599 1366985214 /nfs/dbraw/zinc/98/52/14/1366985214.db2.gz ONHVKPQVEOCQAR-UHFFFAOYSA-N 0 0 328.733 3.070 10 5 EGBERN CCOc1ccccc1N(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001192284631 1367739162 /nfs/dbraw/zinc/73/91/62/1367739162.db2.gz WCWHVKCGQOERLF-UHFFFAOYSA-N 0 0 344.367 3.417 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001192867994 1367891596 /nfs/dbraw/zinc/89/15/96/1367891596.db2.gz DUEZOKIVCINXSH-RISCZKNCSA-N 0 0 330.306 3.376 10 5 EGBERN C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001195045554 1368365911 /nfs/dbraw/zinc/36/59/11/1368365911.db2.gz LMQJWSIIMZZRSS-NSHDSACASA-N 0 0 338.379 3.429 10 5 EGBERN CC[C@H]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001186478742 1387951611 /nfs/dbraw/zinc/95/16/11/1387951611.db2.gz DQUBWKQJWBWRSK-NWDGAFQWSA-N 0 0 326.418 3.237 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC001187124074 1388056582 /nfs/dbraw/zinc/05/65/82/1388056582.db2.gz VPAMPOKWWWDNBJ-IYNGYCSASA-N 0 0 340.326 3.484 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001187305761 1388092068 /nfs/dbraw/zinc/09/20/68/1388092068.db2.gz HLPGTVOEDXOHQY-PXBLZKCCSA-N 0 0 328.290 3.449 10 5 EGBERN O=[N+]([O-])c1cnc(NCC[C@H](O)C2CCCC2)c(Br)c1 ZINC001187380724 1388101344 /nfs/dbraw/zinc/10/13/44/1388101344.db2.gz VNEVTDZWIQRICD-LBPRGKRZSA-N 0 0 344.209 3.105 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@H]3CCC[C@H](C)C3)C2)n1 ZINC001187393042 1388102226 /nfs/dbraw/zinc/10/22/26/1388102226.db2.gz VHNMZXBQJQWCIN-RYUDHWBXSA-N 0 0 333.388 3.039 10 5 EGBERN O=C1C[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1CC1CC1 ZINC001187437325 1388108022 /nfs/dbraw/zinc/10/80/22/1388108022.db2.gz GHHDBOASAJAFJZ-VIFPVBQESA-N 0 0 344.198 3.324 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1-c1nnc(CCOc2ccccc2)o1 ZINC001117254908 1371029690 /nfs/dbraw/zinc/02/96/90/1371029690.db2.gz DBSGNFMFDGVBCF-UHFFFAOYSA-N 0 0 329.287 3.405 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CCOCC1 ZINC001117819120 1371095727 /nfs/dbraw/zinc/09/57/27/1371095727.db2.gz OTQNVKYTEFTXGH-BUHFOSPRSA-N 0 0 332.400 3.321 10 5 EGBERN CCc1nnc([C@H](C)OC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC001118392256 1371171943 /nfs/dbraw/zinc/17/19/43/1371171943.db2.gz BKMBVFWSXZIACF-NSHDSACASA-N 0 0 332.360 3.119 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118700758 1371213271 /nfs/dbraw/zinc/21/32/71/1371213271.db2.gz RGANPHVTYZLGGY-VHDGCEQUSA-N 0 0 338.354 3.277 10 5 EGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001118735588 1371218634 /nfs/dbraw/zinc/21/86/34/1371218634.db2.gz KXDKAWKSQJIYAZ-DEBLGDTFSA-N 0 0 330.384 3.168 10 5 EGBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001187541705 1388122968 /nfs/dbraw/zinc/12/29/68/1388122968.db2.gz MSUFCLZNZGTPAY-KPZWWZAWSA-N 0 0 346.383 3.454 10 5 EGBERN CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)(F)F ZINC001118978655 1371258164 /nfs/dbraw/zinc/25/81/64/1371258164.db2.gz USTASKIPSNYTGV-UHFFFAOYSA-N 0 0 341.358 3.344 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001119340787 1371317369 /nfs/dbraw/zinc/31/73/69/1371317369.db2.gz WHKQFBIIBOCFLR-UHFFFAOYSA-N 0 0 348.790 3.489 10 5 EGBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC001187654627 1388137686 /nfs/dbraw/zinc/13/76/86/1388137686.db2.gz LHEUHUNUPOXTMV-MWLCHTKSSA-N 0 0 327.406 3.324 10 5 EGBERN O=C(OC[C@H]1CCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001123219479 1372399582 /nfs/dbraw/zinc/39/95/82/1372399582.db2.gz OWAIWZCEBLFOPP-OAHLLOKOSA-N 0 0 342.351 3.153 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1([C@H]2CCCO2)CCC1 ZINC001123409159 1372458476 /nfs/dbraw/zinc/45/84/76/1372458476.db2.gz SOMNTRQUPQVWSV-CQSZACIVSA-N 0 0 333.388 3.435 10 5 EGBERN C[C@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001123487804 1372487592 /nfs/dbraw/zinc/48/75/92/1372487592.db2.gz VAPFURRGOSGTDD-WFASDCNBSA-N 0 0 333.388 3.057 10 5 EGBERN CC(C)(C)C1CCN(c2nnc(CCC[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123516571 1372494369 /nfs/dbraw/zinc/49/43/69/1372494369.db2.gz WKDZWDOSVOORFJ-UHFFFAOYSA-N 0 0 349.479 3.160 10 5 EGBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC001124367931 1372695779 /nfs/dbraw/zinc/69/57/79/1372695779.db2.gz GZSMBHYKYVWZGO-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN O=C(Oc1cccc(F)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001124378744 1372696582 /nfs/dbraw/zinc/69/65/82/1372696582.db2.gz VNTQAIUTPVYGFL-UHFFFAOYSA-N 0 0 341.298 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001124404095 1372699225 /nfs/dbraw/zinc/69/92/25/1372699225.db2.gz WPTXFECQESIGKL-DYVFJYSZSA-N 0 0 330.315 3.427 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nccc2ccsc21 ZINC001124882375 1372737561 /nfs/dbraw/zinc/73/75/61/1372737561.db2.gz UGVNIEZCFAWSKR-UHFFFAOYSA-N 0 0 327.365 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3ccccc3C)CC2)n1 ZINC001125649515 1372828927 /nfs/dbraw/zinc/82/89/27/1372828927.db2.gz NCRJDXHOKVLVLL-UHFFFAOYSA-N 0 0 325.368 3.068 10 5 EGBERN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001126125948 1372939380 /nfs/dbraw/zinc/93/93/80/1372939380.db2.gz GIGMXPDPLJHMAK-VXGBXAGGSA-N 0 0 334.372 3.270 10 5 EGBERN C[S@](=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001126243484 1372951847 /nfs/dbraw/zinc/95/18/47/1372951847.db2.gz UPOUVKOYFQKKIW-DXMSMQRWSA-N 0 0 344.392 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCOc2ccccc2C(C)C)n1 ZINC001126266487 1372953155 /nfs/dbraw/zinc/95/31/55/1372953155.db2.gz VCNVCPLQRUQTFI-UHFFFAOYSA-N 0 0 343.383 3.230 10 5 EGBERN O=C(NCc1cccc(Cl)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001126538053 1372973242 /nfs/dbraw/zinc/97/32/42/1372973242.db2.gz KYJFRAABBZZUFO-UHFFFAOYSA-N 0 0 326.686 3.456 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001126701935 1373001858 /nfs/dbraw/zinc/00/18/58/1373001858.db2.gz ZFIFZOANWRPKFT-HZPDHXFCSA-N 0 0 334.416 3.237 10 5 EGBERN Cc1nn(C(C)C)cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001126880197 1373045612 /nfs/dbraw/zinc/04/56/12/1373045612.db2.gz NLGHGPPVSCXYDU-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnn(CC2CC2)c1 ZINC001126880562 1373046317 /nfs/dbraw/zinc/04/63/17/1373046317.db2.gz ZCRXOLXBJJFQDK-UHFFFAOYSA-N 0 0 337.339 3.002 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC001127071056 1373080211 /nfs/dbraw/zinc/08/02/11/1373080211.db2.gz IWVFKYBDOSBIOE-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2F)n1C ZINC001127146108 1373097557 /nfs/dbraw/zinc/09/75/57/1373097557.db2.gz BCKAEFMHKDFHBG-UHFFFAOYSA-N 0 0 346.293 3.320 10 5 EGBERN CS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001127379027 1373121569 /nfs/dbraw/zinc/12/15/69/1373121569.db2.gz UJTKEQXRFDDIMI-NSHDSACASA-N 0 0 326.393 3.400 10 5 EGBERN COc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)cc1[N+](=O)[O-] ZINC001127384502 1373122316 /nfs/dbraw/zinc/12/23/16/1373122316.db2.gz BOJLGCDPOUAIKF-UHFFFAOYSA-N 0 0 348.295 3.104 10 5 EGBERN C/C(=C/c1cccnc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001127498095 1373132330 /nfs/dbraw/zinc/13/23/30/1373132330.db2.gz YCFKAYNOOPOZGS-XFXZXTDPSA-N 0 0 345.786 3.405 10 5 EGBERN CC[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC001127710971 1373165718 /nfs/dbraw/zinc/16/57/18/1373165718.db2.gz UEYCETRTJJVXAO-IPYPFGDCSA-N 0 0 335.356 3.178 10 5 EGBERN O=C(c1c2c(ccc1F)OCO2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127747728 1373173038 /nfs/dbraw/zinc/17/30/38/1373173038.db2.gz BTFJAZJMDGFHKS-UHFFFAOYSA-N 0 0 344.298 3.056 10 5 EGBERN CCN(CC(F)F)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001127856748 1373191222 /nfs/dbraw/zinc/19/12/22/1373191222.db2.gz UHXSPRVBBAHOOR-UHFFFAOYSA-N 0 0 335.310 3.384 10 5 EGBERN CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H]1C ZINC001128281772 1373245646 /nfs/dbraw/zinc/24/56/46/1373245646.db2.gz AFSVOPJVZFDQAH-QWHCGFSZSA-N 0 0 328.372 3.041 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C/c1cccnc1 ZINC001128513739 1373280674 /nfs/dbraw/zinc/28/06/74/1373280674.db2.gz AAOXBXLJTNTZQU-FMIVXFBMSA-N 0 0 327.340 3.431 10 5 EGBERN CC(C)Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001128649050 1373300941 /nfs/dbraw/zinc/30/09/41/1373300941.db2.gz BPNOPWCSBYQMTA-JKSUJKDBSA-N 0 0 340.383 3.326 10 5 EGBERN Cc1ccnc(C)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001128717240 1373304752 /nfs/dbraw/zinc/30/47/52/1373304752.db2.gz FCDNKTRTTUXLCT-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COc1ccc(C(=O)O[C@H](C)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001128989259 1373331551 /nfs/dbraw/zinc/33/15/51/1373331551.db2.gz NJVAVVMDJZESEH-SNVBAGLBSA-N 0 0 345.307 3.250 10 5 EGBERN CC[C@H](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OC ZINC001129069548 1373341786 /nfs/dbraw/zinc/34/17/86/1373341786.db2.gz VMHAJERKDBQUBV-ZANVPECISA-N 0 0 348.321 3.405 10 5 EGBERN C/C(=C\c1ccccn1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129107934 1373346960 /nfs/dbraw/zinc/34/69/60/1373346960.db2.gz KXAGSXXAYOJDHO-ZHACJKMWSA-N 0 0 327.315 3.122 10 5 EGBERN Cc1nn(C)c2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])ccc12 ZINC001129128612 1373348574 /nfs/dbraw/zinc/34/85/74/1373348574.db2.gz MNCCFUBIOZJNNC-UHFFFAOYSA-N 0 0 328.303 3.181 10 5 EGBERN COc1ccc(F)cc1CC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001129134957 1373350535 /nfs/dbraw/zinc/35/05/35/1373350535.db2.gz HVSPCRZHBDKWPO-UHFFFAOYSA-N 0 0 333.315 3.337 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(Cc1cnn(C)c1)CC(C)C ZINC001129515411 1373393452 /nfs/dbraw/zinc/39/34/52/1373393452.db2.gz JZGBTXAPLQWSGS-UHFFFAOYSA-N 0 0 348.378 3.074 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1F ZINC001129580642 1373399825 /nfs/dbraw/zinc/39/98/25/1373399825.db2.gz WFZVVXDHEKCDNW-SWLSCSKDSA-N 0 0 332.306 3.467 10 5 EGBERN CCO[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129672708 1373411082 /nfs/dbraw/zinc/41/10/82/1373411082.db2.gz SRSNGSBKWZJEDM-HUUCEWRRSA-N 0 0 343.383 3.018 10 5 EGBERN O=C(N[C@H]1COCc2ccccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001129854543 1373429655 /nfs/dbraw/zinc/42/96/55/1373429655.db2.gz UFAZHAQFHCORAZ-HNNXBMFYSA-N 0 0 338.319 3.342 10 5 EGBERN COc1cc(Cl)ccc1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001130007094 1373446048 /nfs/dbraw/zinc/44/60/48/1373446048.db2.gz GGWIKRYWVLNXNS-UHFFFAOYSA-N 0 0 337.715 3.241 10 5 EGBERN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H](F)C1 ZINC001326630566 1388262905 /nfs/dbraw/zinc/26/29/05/1388262905.db2.gz AQZBLFVMSVHKQB-NEPJUHHUSA-N 0 0 349.318 3.216 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001130318846 1373492390 /nfs/dbraw/zinc/49/23/90/1373492390.db2.gz UOPUXFLTFGYZQT-CVEARBPZSA-N 0 0 336.363 3.120 10 5 EGBERN Cc1nocc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001130356969 1373502609 /nfs/dbraw/zinc/50/26/09/1373502609.db2.gz LDEJWBIJNXVSLI-UHFFFAOYSA-N 0 0 333.347 3.090 10 5 EGBERN Cc1cc(C(=O)N2CCOc3c(F)cc(F)cc32)ccc1[N+](=O)[O-] ZINC001130638341 1373574179 /nfs/dbraw/zinc/57/41/79/1373574179.db2.gz KCTYKWOWCMKFPB-UHFFFAOYSA-N 0 0 334.278 3.221 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnn(CC2CC2)c1 ZINC001130761320 1373589457 /nfs/dbraw/zinc/58/94/57/1373589457.db2.gz OVIFOSLEMULSTM-UHFFFAOYSA-N 0 0 337.339 3.002 10 5 EGBERN Cc1cc(C(=O)NCCc2ccnc3ccccc23)ccc1[N+](=O)[O-] ZINC001130943503 1373612584 /nfs/dbraw/zinc/61/25/84/1373612584.db2.gz YTEOLPRROMRJLR-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN Cc1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)nn1C(C)C ZINC001130955058 1373615057 /nfs/dbraw/zinc/61/50/57/1373615057.db2.gz XZMBVWGFLAAXCY-UHFFFAOYSA-N 0 0 339.355 3.481 10 5 EGBERN Cc1ccc2oc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC001131047730 1373632342 /nfs/dbraw/zinc/63/23/42/1373632342.db2.gz ISTVAADZERJBAA-UHFFFAOYSA-N 0 0 340.335 3.345 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)nn1 ZINC001131208117 1373662312 /nfs/dbraw/zinc/66/23/12/1373662312.db2.gz QVVJEPDJBRTDFM-UHFFFAOYSA-N 0 0 336.348 3.278 10 5 EGBERN CC1(C)CCC[C@@H]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001131528656 1373715983 /nfs/dbraw/zinc/71/59/83/1373715983.db2.gz KYVGCFUYJJOROQ-LLVKDONJSA-N 0 0 330.388 3.417 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ncc(F)cc1Cl ZINC001131695350 1373767839 /nfs/dbraw/zinc/76/78/39/1373767839.db2.gz VAZPQIBIRMDIRU-UHFFFAOYSA-N 0 0 341.701 3.493 10 5 EGBERN Cc1cc2nccc(NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])n2n1 ZINC001131730265 1373777442 /nfs/dbraw/zinc/77/74/42/1373777442.db2.gz UHZURCKZKBDSDQ-UHFFFAOYSA-N 0 0 345.746 3.160 10 5 EGBERN COC(=O)c1ccc(OC[C@@H](OC)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001188408539 1388304875 /nfs/dbraw/zinc/30/48/75/1388304875.db2.gz OLCDSSFMAIIAMH-MRXNPFEDSA-N 0 0 337.372 3.356 10 5 EGBERN Cc1cc(Cl)c(C(=O)Nc2cncc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001132001780 1375092358 /nfs/dbraw/zinc/09/23/58/1375092358.db2.gz DWNMYARUPHTOQN-UHFFFAOYSA-N 0 0 334.763 3.270 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC001132151717 1375171486 /nfs/dbraw/zinc/17/14/86/1375171486.db2.gz KJACPCJPPITLGH-KNHMANMVSA-N 0 0 333.344 3.202 10 5 EGBERN COc1ccc(C(=O)Nc2noc(C(C)(C)C)c2C)cc1[N+](=O)[O-] ZINC001132459122 1375402430 /nfs/dbraw/zinc/40/24/30/1375402430.db2.gz UKDJNQBRNBSYEG-UHFFFAOYSA-N 0 0 333.344 3.450 10 5 EGBERN COCc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001132637724 1375493094 /nfs/dbraw/zinc/49/30/94/1375493094.db2.gz VSANLROIIKWYPD-UHFFFAOYSA-N 0 0 332.331 3.119 10 5 EGBERN CN1CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001132746826 1375543231 /nfs/dbraw/zinc/54/32/31/1375543231.db2.gz FNEFQEHKUCETSQ-UHFFFAOYSA-N 0 0 325.368 3.470 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(Cl)s2)c1C ZINC001133156605 1375813730 /nfs/dbraw/zinc/81/37/30/1375813730.db2.gz RVIKVXNMAFALED-UHFFFAOYSA-N 0 0 325.777 3.252 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2N(C)C)c1 ZINC001133183571 1375828266 /nfs/dbraw/zinc/82/82/66/1375828266.db2.gz GEZDSLYRDSLHQI-UHFFFAOYSA-N 0 0 333.319 3.061 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2cc(Cl)ccc2[nH]1 ZINC001133190837 1375831562 /nfs/dbraw/zinc/83/15/62/1375831562.db2.gz UYGNJDWQVDYMCX-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnccc1C(F)(F)F ZINC001133479703 1376032579 /nfs/dbraw/zinc/03/25/79/1376032579.db2.gz XYZFOGSQOLXRNE-UHFFFAOYSA-N 0 0 341.245 3.026 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N=[S@](C)(=O)c2ccc(C)cc2)c1 ZINC001134282397 1376456353 /nfs/dbraw/zinc/45/63/53/1376456353.db2.gz IBMYRXQXYHHYKZ-XMMPIXPASA-N 0 0 348.380 3.209 10 5 EGBERN C[C@H](CNC(=O)c1ccc2nsnc2c1)c1ccccc1[N+](=O)[O-] ZINC001134496439 1376569004 /nfs/dbraw/zinc/56/90/04/1376569004.db2.gz ZAEMIMCMSJIEQB-SNVBAGLBSA-N 0 0 342.380 3.133 10 5 EGBERN CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001134535100 1376580607 /nfs/dbraw/zinc/58/06/07/1376580607.db2.gz BHILCKAJBYCSCZ-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN O=C(Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1)c1ccc([N+](=O)[O-])o1 ZINC001134799455 1376730232 /nfs/dbraw/zinc/73/02/32/1376730232.db2.gz JTXIHNARXQQBHN-UHFFFAOYSA-N 0 0 349.306 3.378 10 5 EGBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1ccccc1[N+](=O)[O-] ZINC001135031590 1376858383 /nfs/dbraw/zinc/85/83/83/1376858383.db2.gz KUEZRSREBGPBLK-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN COC(=O)c1coc(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC001135040942 1376864531 /nfs/dbraw/zinc/86/45/31/1376864531.db2.gz CFLLUDLLNHQTRX-UHFFFAOYSA-N 0 0 340.291 3.380 10 5 EGBERN Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)cc([N+](=O)[O-])c1 ZINC001135145118 1376932898 /nfs/dbraw/zinc/93/28/98/1376932898.db2.gz LEBHADSCCYFWJR-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN O=C(Nc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1Cl ZINC001135151511 1376938065 /nfs/dbraw/zinc/93/80/65/1376938065.db2.gz KTLQSDKLBCKLBT-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001135312173 1377032623 /nfs/dbraw/zinc/03/26/23/1377032623.db2.gz FILUEHYBHQFBMQ-UHFFFAOYSA-N 0 0 343.364 3.367 10 5 EGBERN Cc1ccnc2[nH]c(SCCOc3ccc([N+](=O)[O-])cc3)nc21 ZINC001189225001 1388487627 /nfs/dbraw/zinc/48/76/27/1388487627.db2.gz HDVODIJAIHANLN-UHFFFAOYSA-N 0 0 330.369 3.346 10 5 EGBERN CC(C)(C(=O)Oc1ccc2cncnc2c1)c1ccccc1[N+](=O)[O-] ZINC001266616314 1377346405 /nfs/dbraw/zinc/34/64/05/1377346405.db2.gz SQIKGSRBIPCXDP-UHFFFAOYSA-N 0 0 337.335 3.421 10 5 EGBERN COc1cccc([C@@H](C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001136178109 1377361644 /nfs/dbraw/zinc/36/16/44/1377361644.db2.gz MJPKUMCDOFCDNF-LLVKDONJSA-N 0 0 332.331 3.162 10 5 EGBERN Cc1ccccc1[C@H]1CCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136326580 1377377646 /nfs/dbraw/zinc/37/76/46/1377377646.db2.gz IKGHRZWXVDBKGC-LLVKDONJSA-N 0 0 334.763 3.257 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1N ZINC001136400806 1377388093 /nfs/dbraw/zinc/38/80/93/1377388093.db2.gz BBCITPGZJJIYGX-UHFFFAOYSA-N 0 0 331.347 3.367 10 5 EGBERN CCOc1c(Cl)cccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136410223 1377390521 /nfs/dbraw/zinc/39/05/21/1377390521.db2.gz PZBXGMRDAVZPPY-UHFFFAOYSA-N 0 0 345.142 3.276 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](O)c1ccccc1 ZINC001137387980 1377537584 /nfs/dbraw/zinc/53/75/84/1377537584.db2.gz LBBBLURDRKTISJ-MRXNPFEDSA-N 0 0 348.786 3.031 10 5 EGBERN COc1ccc2[nH]c(NC(=O)c3ccc([N+](=O)[O-])cc3OC)cc2c1 ZINC001138195599 1377689496 /nfs/dbraw/zinc/68/94/96/1377689496.db2.gz XPABYEVDEUHOMD-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN COc1ccc2[nH]c(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2c1 ZINC001138195640 1377689550 /nfs/dbraw/zinc/68/95/50/1377689550.db2.gz YPCPKSRZVOOTKI-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC001141538476 1378342061 /nfs/dbraw/zinc/34/20/61/1378342061.db2.gz NOGSTMVJAAKZNX-UHFFFAOYSA-N 0 0 338.323 3.251 10 5 EGBERN O=C(NCc1nc2ccccc2o1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001141591522 1378347724 /nfs/dbraw/zinc/34/77/24/1378347724.db2.gz FYNGVGCEBFWXDW-UONOGXRCSA-N 0 0 337.335 3.156 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(Cl)c1 ZINC001142186203 1378419273 /nfs/dbraw/zinc/41/92/73/1378419273.db2.gz JZSYBAWQTVGKJZ-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN CSc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC001142246564 1378424998 /nfs/dbraw/zinc/42/49/98/1378424998.db2.gz PIKVQQIWADGWLO-UHFFFAOYSA-N 0 0 338.776 3.200 10 5 EGBERN CCCn1ccc2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccc21 ZINC001142588792 1378461892 /nfs/dbraw/zinc/46/18/92/1378461892.db2.gz GLEJPDSSOLATKK-UHFFFAOYSA-N 0 0 339.355 3.189 10 5 EGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cnccn1 ZINC001144307352 1378715077 /nfs/dbraw/zinc/71/50/77/1378715077.db2.gz QISBUKLQHBOCOP-SECBINFHSA-N 0 0 328.353 3.091 10 5 EGBERN COc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001147093513 1378967530 /nfs/dbraw/zinc/96/75/30/1378967530.db2.gz QHKNLNKYYQAFFG-UHFFFAOYSA-N 0 0 345.358 3.337 10 5 EGBERN CCCc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC001147171641 1378981818 /nfs/dbraw/zinc/98/18/18/1378981818.db2.gz WASTZLBAEAXHSS-UHFFFAOYSA-N 0 0 336.779 3.495 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(OCC(C)C)C1 ZINC001148282404 1379145083 /nfs/dbraw/zinc/14/50/83/1379145083.db2.gz LUIXYDQCRMQBSR-HNNXBMFYSA-N 0 0 334.416 3.047 10 5 EGBERN C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001148721903 1379253343 /nfs/dbraw/zinc/25/33/43/1379253343.db2.gz ZJBYDFNLDYADGK-MEDUHNTESA-N 0 0 348.786 3.143 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC001149370347 1379370981 /nfs/dbraw/zinc/37/09/81/1379370981.db2.gz BNKPTNAEXDJWAW-HNNXBMFYSA-N 0 0 340.379 3.369 10 5 EGBERN CC(C)OC1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001149713639 1379434795 /nfs/dbraw/zinc/43/47/95/1379434795.db2.gz NCMCDJNXONLFKS-UHFFFAOYSA-N 0 0 349.431 3.251 10 5 EGBERN COc1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(C)c1 ZINC001149748453 1379439661 /nfs/dbraw/zinc/43/96/61/1379439661.db2.gz MZDNGQRLBUZCAU-UHFFFAOYSA-N 0 0 349.774 3.077 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001327887591 1388616729 /nfs/dbraw/zinc/61/67/29/1388616729.db2.gz CZKKBCOQNLPPIZ-JLLWLGSASA-N 0 0 327.356 3.315 10 5 EGBERN O=Cc1ccc(/C=C/C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001150827202 1379619068 /nfs/dbraw/zinc/61/90/68/1379619068.db2.gz JFPIEEHYPLKUPI-VMPITWQZSA-N 0 0 344.754 3.390 10 5 EGBERN CNc1c(C(=O)NCc2ccc(C(C)(C)C)o2)cccc1[N+](=O)[O-] ZINC001151859871 1379802302 /nfs/dbraw/zinc/80/23/02/1379802302.db2.gz QBTQTHCDPKTJNV-UHFFFAOYSA-N 0 0 331.372 3.457 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2cncnc2[C@@H](C)C1 ZINC001153033738 1380011758 /nfs/dbraw/zinc/01/17/58/1380011758.db2.gz JAURQJZRASMXRS-LBPRGKRZSA-N 0 0 340.383 3.070 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC2(CCCC2)C1 ZINC001153496080 1380085178 /nfs/dbraw/zinc/08/51/78/1380085178.db2.gz ZOHZMTIYRPRCQX-LLVKDONJSA-N 0 0 344.371 3.149 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC001154340041 1380259551 /nfs/dbraw/zinc/25/95/51/1380259551.db2.gz BZVXCWUNOGDMBT-HOCLYGCPSA-N 0 0 348.786 3.490 10 5 EGBERN CCc1ccc(C(=O)Nc2c[nH]nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001155021655 1380392873 /nfs/dbraw/zinc/39/28/73/1380392873.db2.gz LMWGZUKZOWLMFS-UHFFFAOYSA-N 0 0 328.250 3.151 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc(=O)c(Cl)c[nH]1 ZINC001155399454 1380445940 /nfs/dbraw/zinc/44/59/40/1380445940.db2.gz RMRYLUWGQOGLLG-UHFFFAOYSA-N 0 0 339.710 3.059 10 5 EGBERN CC(C)(CCC(=O)N1CCS[C@@]1(C)Cc1ccccc1)[N+](=O)[O-] ZINC001155805806 1380494069 /nfs/dbraw/zinc/49/40/69/1380494069.db2.gz CHWLRYPMQKOUBH-KRWDZBQOSA-N 0 0 336.457 3.356 10 5 EGBERN CON(C[C@@H]1CCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001156007795 1380513074 /nfs/dbraw/zinc/51/30/74/1380513074.db2.gz LHBXEIUXKKQDJF-ZDUSSCGKSA-N 0 0 329.356 3.047 10 5 EGBERN CCNc1ncc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1Cl ZINC001156416340 1380573543 /nfs/dbraw/zinc/57/35/43/1380573543.db2.gz YIAZCCWINFBVKM-UHFFFAOYSA-N 0 0 348.790 3.048 10 5 EGBERN CC(C)(NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(F)F ZINC001156895894 1380720064 /nfs/dbraw/zinc/72/00/64/1380720064.db2.gz YJEVYLJKAWORBO-UHFFFAOYSA-N 0 0 335.310 3.430 10 5 EGBERN CCC(=O)c1ccc(N2CCc3cc(Cl)nnc3C2)c([N+](=O)[O-])c1 ZINC001328133279 1388679929 /nfs/dbraw/zinc/67/99/29/1388679929.db2.gz BHIYCJWWPWMHAZ-UHFFFAOYSA-N 0 0 346.774 3.194 10 5 EGBERN COCC1(CCNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001328133559 1388680047 /nfs/dbraw/zinc/68/00/47/1388680047.db2.gz CIYLHQWGKJMULT-GQCTYLIASA-N 0 0 334.372 3.010 10 5 EGBERN CCc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1O ZINC001157814944 1381041614 /nfs/dbraw/zinc/04/16/14/1381041614.db2.gz UHVGGSHXPLGPBW-UHFFFAOYSA-N 0 0 330.340 3.270 10 5 EGBERN Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)c(N)c1[N+](=O)[O-] ZINC001158231478 1381168348 /nfs/dbraw/zinc/16/83/48/1381168348.db2.gz GKDVDFIKYOORGE-UHFFFAOYSA-N 0 0 338.323 3.393 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc2cccnc2c1 ZINC001287718709 1381362508 /nfs/dbraw/zinc/36/25/08/1381362508.db2.gz SQCPDSBJLMVYGV-UHFFFAOYSA-N 0 0 339.326 3.141 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3ccc(Cl)c(C)c3C2)n1 ZINC001288143694 1381570990 /nfs/dbraw/zinc/57/09/90/1381570990.db2.gz YNAMWIUUORHITB-UHFFFAOYSA-N 0 0 345.786 3.459 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001288216520 1381731987 /nfs/dbraw/zinc/73/19/87/1381731987.db2.gz XAQBHYRUBXFQSR-JTQLQIEISA-N 0 0 349.774 3.469 10 5 EGBERN C[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288790273 1381940528 /nfs/dbraw/zinc/94/05/28/1381940528.db2.gz AWILNJSHCVJBHD-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN NC(=O)c1cc(NC(=O)/C=C\C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001289257621 1381989575 /nfs/dbraw/zinc/98/95/75/1381989575.db2.gz CNFMYZZSQBNLTC-YFHOEESVSA-N 0 0 331.372 3.159 10 5 EGBERN COc1ccc(F)cc1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001289341837 1381993187 /nfs/dbraw/zinc/99/31/87/1381993187.db2.gz XXIXKZGRANXFQB-NSHDSACASA-N 0 0 332.331 3.276 10 5 EGBERN CN(Cc1cccc(F)c1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001289981943 1382035151 /nfs/dbraw/zinc/03/51/51/1382035151.db2.gz CLPPNCUVRFRLQP-UHFFFAOYSA-N 0 0 344.342 3.355 10 5 EGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1F ZINC001292686083 1382208070 /nfs/dbraw/zinc/20/80/70/1382208070.db2.gz KQBULFTWUIOLOR-UHFFFAOYSA-N 0 0 331.347 3.024 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1Cc2ccc(Cl)cc2C1 ZINC001161344012 1382377566 /nfs/dbraw/zinc/37/75/66/1382377566.db2.gz BFEVSBGQJUZKQO-UHFFFAOYSA-N 0 0 334.734 3.472 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)Sc2ccccc2)n1 ZINC001294171243 1382424162 /nfs/dbraw/zinc/42/41/62/1382424162.db2.gz ANFKZAOYMBUXPK-GFCCVEGCSA-N 0 0 331.397 3.209 10 5 EGBERN CNc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001294339572 1382443318 /nfs/dbraw/zinc/44/33/18/1382443318.db2.gz UIGITSGGXDIERO-LLVKDONJSA-N 0 0 333.413 3.401 10 5 EGBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001161695227 1382483243 /nfs/dbraw/zinc/48/32/43/1382483243.db2.gz WJDSPOCFRINMCP-JTQLQIEISA-N 0 0 346.314 3.263 10 5 EGBERN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccn1 ZINC001294687140 1382483659 /nfs/dbraw/zinc/48/36/59/1382483659.db2.gz MQATWBUFHFSORZ-CYBMUJFWSA-N 0 0 325.368 3.285 10 5 EGBERN CN(Cc1ccc(Br)cc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001161947861 1382567647 /nfs/dbraw/zinc/56/76/47/1382567647.db2.gz OSNBBQVJDFRATK-UHFFFAOYSA-N 0 0 338.161 3.094 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1NCCCOc1ccccc1F ZINC001162032338 1382609130 /nfs/dbraw/zinc/60/91/30/1382609130.db2.gz NCBUXVASUWOQGW-UHFFFAOYSA-N 0 0 325.727 3.085 10 5 EGBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328676271 1388804543 /nfs/dbraw/zinc/80/45/43/1388804543.db2.gz BTOQUZRQGOENLS-AEFFLSMTSA-N 0 0 326.327 3.322 10 5 EGBERN Cc1ccc([C@@H](C)Nc2ccnc(-c3nccs3)n2)cc1[N+](=O)[O-] ZINC001162638484 1382819094 /nfs/dbraw/zinc/81/90/94/1382819094.db2.gz QXPFLSGZFIKOME-LLVKDONJSA-N 0 0 341.396 3.412 10 5 EGBERN COc1cccc2[nH]c(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc21 ZINC001295918101 1382867670 /nfs/dbraw/zinc/86/76/70/1382867670.db2.gz CDMFUESPRSTNSS-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN CCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162806188 1382878507 /nfs/dbraw/zinc/87/85/07/1382878507.db2.gz OVRNTWZSKKAEQS-UHFFFAOYSA-N 0 0 329.356 3.013 10 5 EGBERN CC(C)[C@H]1C[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC001162921683 1382917731 /nfs/dbraw/zinc/91/77/31/1382917731.db2.gz JYJVDDOFDOQAJY-BLLLJJGKSA-N 0 0 333.363 3.320 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(F)c(F)cc1F ZINC001163054902 1382956024 /nfs/dbraw/zinc/95/60/24/1382956024.db2.gz PKRISERKWGPEPJ-UHFFFAOYSA-N 0 0 339.273 3.235 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CCC(=Cc3ccc(F)c(F)c3)CC2)n1 ZINC001163119347 1382969903 /nfs/dbraw/zinc/96/99/03/1382969903.db2.gz BZXCBTNUIIFLOW-UHFFFAOYSA-N 0 0 334.326 3.290 10 5 EGBERN Cc1cc(NCCc2cnc3c(Cl)cnn3c2)ccc1[N+](=O)[O-] ZINC001163407922 1383044427 /nfs/dbraw/zinc/04/44/27/1383044427.db2.gz GLPISRONDQCPGH-UHFFFAOYSA-N 0 0 331.763 3.254 10 5 EGBERN CN(C[C@H](O)Cc1ccccc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001163410704 1383046237 /nfs/dbraw/zinc/04/62/37/1383046237.db2.gz BHVPVZRNHAABDD-MRXNPFEDSA-N 0 0 337.379 3.183 10 5 EGBERN CC1(C)CCc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001296871569 1383078058 /nfs/dbraw/zinc/07/80/58/1383078058.db2.gz WLUTYEFXGSTLGO-CQSZACIVSA-N 0 0 328.372 3.152 10 5 EGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C1CCC1)C1CCCCC1 ZINC001163583340 1383083221 /nfs/dbraw/zinc/08/32/21/1383083221.db2.gz OKVDAUIHUFYZRT-OAHLLOKOSA-N 0 0 332.404 3.250 10 5 EGBERN CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](Cc2ccccc2)C1 ZINC001163662567 1383097607 /nfs/dbraw/zinc/09/76/07/1383097607.db2.gz NYCFENZIHUXADA-OAHLLOKOSA-N 0 0 347.365 3.236 10 5 EGBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCn2nccc2C1 ZINC001163798188 1383123399 /nfs/dbraw/zinc/12/33/99/1383123399.db2.gz YYLMBJSVSXWSIR-UHFFFAOYSA-N 0 0 329.747 3.013 10 5 EGBERN COC(=O)/C=C\c1ccc(NC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001164078689 1383153635 /nfs/dbraw/zinc/15/36/35/1383153635.db2.gz YYZWGXIPSZGATC-VGVVRCBHSA-N 0 0 334.372 3.008 10 5 EGBERN CC(C)Oc1nc(NCc2nc3cnccc3s2)ccc1[N+](=O)[O-] ZINC001164137929 1383160318 /nfs/dbraw/zinc/16/03/18/1383160318.db2.gz DMPSBGYAZZIIPW-UHFFFAOYSA-N 0 0 345.384 3.394 10 5 EGBERN COC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001164170349 1383162326 /nfs/dbraw/zinc/16/23/26/1383162326.db2.gz NAVXGRVRPAICAC-BDAKNGLRSA-N 0 0 343.177 3.111 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@H](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164379394 1383182898 /nfs/dbraw/zinc/18/28/98/1383182898.db2.gz HXVLLIUTLIRKKI-AWEZNQCLSA-N 0 0 337.420 3.418 10 5 EGBERN Cc1noc(CSc2nnc(-c3ccc(F)cc3)n2C)c1[N+](=O)[O-] ZINC001164620555 1383209626 /nfs/dbraw/zinc/20/96/26/1383209626.db2.gz HQCYRPHSODSIPC-UHFFFAOYSA-N 0 0 349.347 3.118 10 5 EGBERN COC(=O)c1ccc(OC[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC001165287944 1383266759 /nfs/dbraw/zinc/26/67/59/1383266759.db2.gz CBWLQODRTROTKK-CQSZACIVSA-N 0 0 349.383 3.357 10 5 EGBERN Cc1cncc(-c2nc(COc3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC001165870610 1383353943 /nfs/dbraw/zinc/35/39/43/1383353943.db2.gz XJOMOCMEDDDXFY-UHFFFAOYSA-N 0 0 326.312 3.236 10 5 EGBERN Cc1sc(NC(=O)c2c([N+](=O)[O-])cnn2C)nc1C1CCCCC1 ZINC001298162995 1383379748 /nfs/dbraw/zinc/37/97/48/1383379748.db2.gz FILNCMWDDTXGRY-UHFFFAOYSA-N 0 0 349.416 3.393 10 5 EGBERN Nc1nc(SCCCSCc2ccccc2)ncc1[N+](=O)[O-] ZINC001166211789 1383402821 /nfs/dbraw/zinc/40/28/21/1383402821.db2.gz LAYMIDQFRDGBCW-UHFFFAOYSA-N 0 0 336.442 3.383 10 5 EGBERN COC(=O)c1ccoc1COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC001166460384 1383424731 /nfs/dbraw/zinc/42/47/31/1383424731.db2.gz QRGLGFJNQNWQFO-UHFFFAOYSA-N 0 0 349.192 3.110 10 5 EGBERN Cc1cc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc(C)n1 ZINC001299550891 1383565510 /nfs/dbraw/zinc/56/55/10/1383565510.db2.gz PSBDXFUTCCRARC-UHFFFAOYSA-N 0 0 333.775 3.119 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2ccc(O)cc21 ZINC001167287761 1383584862 /nfs/dbraw/zinc/58/48/62/1383584862.db2.gz LRSHRRCEPSZDNF-INIZCTEOSA-N 0 0 346.770 3.300 10 5 EGBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001299752450 1383626187 /nfs/dbraw/zinc/62/61/87/1383626187.db2.gz WXRFBRVZTHNLLL-FUHWJXTLSA-N 0 0 339.326 3.443 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCOc2ccccc21 ZINC001299931773 1383635616 /nfs/dbraw/zinc/63/56/16/1383635616.db2.gz FFMGZRLAPUOAEL-LBPRGKRZSA-N 0 0 348.305 3.056 10 5 EGBERN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC001300098047 1383644221 /nfs/dbraw/zinc/64/42/21/1383644221.db2.gz STYWGXXDJIFVBS-CQSZACIVSA-N 0 0 339.823 3.051 10 5 EGBERN C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001167477991 1383645449 /nfs/dbraw/zinc/64/54/49/1383645449.db2.gz JMFDRKAHVOUJJU-QWRGUYRKSA-N 0 0 325.796 3.307 10 5 EGBERN CC[C@H](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001300498673 1383668365 /nfs/dbraw/zinc/66/83/65/1383668365.db2.gz URBSXLFLWBFHEE-JTQLQIEISA-N 0 0 343.221 3.452 10 5 EGBERN C[C@@]1(C2CCCCC2)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001302916321 1383772697 /nfs/dbraw/zinc/77/26/97/1383772697.db2.gz LHRRHOFWDBMGOS-AEFFLSMTSA-N 0 0 332.400 3.200 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCc2cc(F)c(F)cc2C1 ZINC001303080344 1383782257 /nfs/dbraw/zinc/78/22/57/1383782257.db2.gz SMFCHQAVCOWWHZ-UHFFFAOYSA-N 0 0 336.269 3.211 10 5 EGBERN Nc1c(C(=O)Nc2cnc3[nH]ccc3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001303461742 1383799397 /nfs/dbraw/zinc/79/93/97/1383799397.db2.gz JBUAZZPSARAYDW-UHFFFAOYSA-N 0 0 347.334 3.410 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc(Cl)cc2c1OCC2 ZINC001304015089 1383821355 /nfs/dbraw/zinc/82/13/55/1383821355.db2.gz BIYKNKZMWUBRMS-QMMMGPOBSA-N 0 0 335.747 3.002 10 5 EGBERN O=C(Nc1c[nH]c2ccccc12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001304096290 1383829610 /nfs/dbraw/zinc/82/96/10/1383829610.db2.gz FUJPPPJCNMSDHT-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN O=C(Nc1c[nH]nc1Cl)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001306832246 1383908368 /nfs/dbraw/zinc/90/83/68/1383908368.db2.gz UTHKURPMHAMUMN-UHFFFAOYSA-N 0 0 334.641 3.242 10 5 EGBERN O=[N+]([O-])c1ccc(CCCCNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001306983937 1383929968 /nfs/dbraw/zinc/92/99/68/1383929968.db2.gz MALPBFYARLBLDV-UHFFFAOYSA-N 0 0 334.307 3.472 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[C@H]1OC ZINC001307079993 1383937586 /nfs/dbraw/zinc/93/75/86/1383937586.db2.gz GHAOZNQFQLECAI-TVQRCGJNSA-N 0 0 342.779 3.262 10 5 EGBERN Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nn(C)cc1[N+](=O)[O-])CC3 ZINC001307080392 1383937646 /nfs/dbraw/zinc/93/76/46/1383937646.db2.gz MOHJJPQAZYBRIH-LLVKDONJSA-N 0 0 325.372 3.087 10 5 EGBERN COC(=O)[C@@](C)(CNc1cc(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC001307095200 1383939508 /nfs/dbraw/zinc/93/95/08/1383939508.db2.gz AKFMCPLSGLAKQZ-SFHVURJKSA-N 0 0 328.368 3.446 10 5 EGBERN Cc1cc(N[C@@H](Cc2ccccc2)c2nccn2C)ncc1[N+](=O)[O-] ZINC001307156296 1383946820 /nfs/dbraw/zinc/94/68/20/1383946820.db2.gz BZJYDYWLELCIKS-HNNXBMFYSA-N 0 0 337.383 3.428 10 5 EGBERN COc1cc(N[C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC001307169236 1383949557 /nfs/dbraw/zinc/94/95/57/1383949557.db2.gz KVZQOUVXHJLZMN-GFCCVEGCSA-N 0 0 348.330 3.167 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](c2cccnc2)C1 ZINC001307182348 1383951465 /nfs/dbraw/zinc/95/14/65/1383951465.db2.gz LWCSTXUWAIWXTE-ZDUSSCGKSA-N 0 0 328.328 3.282 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCc3noc4ccc(F)cc34)c21 ZINC001307189301 1383953113 /nfs/dbraw/zinc/95/31/13/1383953113.db2.gz DQQSPIXKPHASRV-UHFFFAOYSA-N 0 0 339.286 3.430 10 5 EGBERN COC(=O)CC1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC001307224368 1383960357 /nfs/dbraw/zinc/96/03/57/1383960357.db2.gz HHLZBSRJDJTCKM-UHFFFAOYSA-N 0 0 332.360 3.007 10 5 EGBERN O=[N+]([O-])c1cc(CO)c(N2CCc3cc(F)cc(F)c3C2)cc1F ZINC001307233708 1383962850 /nfs/dbraw/zinc/96/28/50/1383962850.db2.gz HHAHJSMBMHGNNZ-UHFFFAOYSA-N 0 0 338.285 3.067 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001307296868 1383968290 /nfs/dbraw/zinc/96/82/90/1383968290.db2.gz DYVSCNWMQFHFBO-DOMZBBRYSA-N 0 0 327.764 3.355 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCOc2cc(Cl)ccc2Cl)n1 ZINC001307348748 1383975454 /nfs/dbraw/zinc/97/54/54/1383975454.db2.gz DBVGYBZIEXSQJC-UHFFFAOYSA-N 0 0 347.114 3.085 10 5 EGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307894260 1384052211 /nfs/dbraw/zinc/05/22/11/1384052211.db2.gz ZQCGCWSJPRBTGS-CQSZACIVSA-N 0 0 344.358 3.425 10 5 EGBERN CCOc1ccc(NC(=O)CN(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001307953092 1384063996 /nfs/dbraw/zinc/06/39/96/1384063996.db2.gz ZEPVZBQKGFCWFL-UHFFFAOYSA-N 0 0 343.383 3.377 10 5 EGBERN C[C@]1(CO)CN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 ZINC001307983351 1384069079 /nfs/dbraw/zinc/06/90/79/1384069079.db2.gz XVKVCTKBDJIFSA-QGZVFWFLSA-N 0 0 348.786 3.398 10 5 EGBERN CC1CC[NH+](CC[C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308002820 1384072922 /nfs/dbraw/zinc/07/29/22/1384072922.db2.gz OKRVLLYAOBQCIJ-KRWDZBQOSA-N 0 0 347.459 3.387 10 5 EGBERN C=Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001309077310 1384168740 /nfs/dbraw/zinc/16/87/40/1384168740.db2.gz PETOGEYEZBGYDU-LBPRGKRZSA-N 0 0 332.381 3.277 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H]([C@H]2CCCO2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312313684 1384339448 /nfs/dbraw/zinc/33/94/48/1384339448.db2.gz VRIXKYLZGSPLRZ-USXIJHARSA-N 0 0 347.415 3.256 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12C[C@H]1CCCC2 ZINC001312377949 1384344314 /nfs/dbraw/zinc/34/43/14/1384344314.db2.gz BIOOEKWKTPBAMN-MLGOLLRUSA-N 0 0 337.807 3.423 10 5 EGBERN CCCc1occc1C(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001316594047 1384463191 /nfs/dbraw/zinc/46/31/91/1384463191.db2.gz JSEKDJMFYIJLBM-UHFFFAOYSA-N 0 0 345.399 3.315 10 5 EGBERN CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001177252179 1385885563 /nfs/dbraw/zinc/88/55/63/1385885563.db2.gz MHRVEJJTEKXLQO-ZBFHGGJFSA-N 0 0 348.786 3.490 10 5 EGBERN CC(C)(C)c1ccc(C(=O)NCc2cncc(F)c2)cc1[N+](=O)[O-] ZINC001177545174 1385991565 /nfs/dbraw/zinc/99/15/65/1385991565.db2.gz NBBZJAAMUUJZTI-UHFFFAOYSA-N 0 0 331.347 3.356 10 5 EGBERN Cc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])n[nH]2)c(Cl)c1 ZINC001177806443 1386051600 /nfs/dbraw/zinc/05/16/00/1386051600.db2.gz QVHSGSJCHZWZOX-UHFFFAOYSA-N 0 0 338.751 3.077 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC001319940899 1386404065 /nfs/dbraw/zinc/40/40/65/1386404065.db2.gz UEJGWABJJYYTFD-AWEZNQCLSA-N 0 0 346.412 3.209 10 5 EGBERN COc1ccc(COC(=O)c2cncc(C)c2Cl)cc1[N+](=O)[O-] ZINC001319984391 1386434952 /nfs/dbraw/zinc/43/49/52/1386434952.db2.gz CTTPGHDWVJCDNY-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC001179734245 1386567389 /nfs/dbraw/zinc/56/73/89/1386567389.db2.gz RFSDXYSXRFSDCP-LBPRGKRZSA-N 0 0 346.774 3.033 10 5 EGBERN Cc1ccc(NC(=O)c2ccc(-c3c[nH]cn3)cc2)c(N)c1[N+](=O)[O-] ZINC001179878936 1386616035 /nfs/dbraw/zinc/61/60/35/1386616035.db2.gz GTFJEZMOVWEJIM-UHFFFAOYSA-N 0 0 337.339 3.128 10 5 EGBERN CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC001320936083 1386763704 /nfs/dbraw/zinc/76/37/04/1386763704.db2.gz QIDSJNFQDKFNMP-IINYFYTJSA-N 0 0 343.221 3.214 10 5 EGBERN Cn1nc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 ZINC001180692858 1386864220 /nfs/dbraw/zinc/86/42/20/1386864220.db2.gz MMKVJHSPUIWQNA-UHFFFAOYSA-N 0 0 335.323 3.215 10 5 EGBERN CC(C)(O)C1CCC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001329646039 1389196970 /nfs/dbraw/zinc/19/69/70/1389196970.db2.gz HDMQFPYHPSDIPC-UHFFFAOYSA-N 0 0 332.400 3.014 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329644390 1389197115 /nfs/dbraw/zinc/19/71/15/1389197115.db2.gz XCERMGIJKCHRFP-IEBDPFPHSA-N 0 0 326.299 3.223 10 5 EGBERN Cc1cc(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001330153401 1389317004 /nfs/dbraw/zinc/31/70/04/1389317004.db2.gz WRINQSSUPSVYGZ-GRYCIOLGSA-N 0 0 325.315 3.459 10 5 EGBERN CC(C)(CC(F)(F)F)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001330285078 1389377794 /nfs/dbraw/zinc/37/77/94/1389377794.db2.gz XBZGBDVJLMKRKO-UHFFFAOYSA-N 0 0 333.262 3.299 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CO1 ZINC001333217677 1390268238 /nfs/dbraw/zinc/26/82/38/1390268238.db2.gz XXGBKFPUNLVPDQ-CYBMUJFWSA-N 0 0 337.375 3.406 10 5 EGBERN O=C([C@@H]1CCOC2(CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333254583 1390272117 /nfs/dbraw/zinc/27/21/17/1390272117.db2.gz XBXBFMXUQYNPGO-OAHLLOKOSA-N 0 0 344.411 3.219 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3c(C)cncc3[N+](=O)[O-])C2)c1 ZINC001333741936 1390390025 /nfs/dbraw/zinc/39/00/25/1390390025.db2.gz RONXMEPZCHWRFT-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)nc1 ZINC001341329379 1390472125 /nfs/dbraw/zinc/47/21/25/1390472125.db2.gz MCQXXFLFGMVTST-UHFFFAOYSA-N 0 0 347.128 3.469 10 5 EGBERN Cn1cc(Br)cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001341705215 1390519844 /nfs/dbraw/zinc/51/98/44/1390519844.db2.gz JOEQMIBPGAONMW-UHFFFAOYSA-N 0 0 349.144 3.413 10 5 EGBERN COc1cccc(C(=O)OCCc2sc(C)nc2C)c1[N+](=O)[O-] ZINC001344343607 1390784965 /nfs/dbraw/zinc/78/49/65/1390784965.db2.gz PASKTWPDFJJJQU-UHFFFAOYSA-N 0 0 336.369 3.076 10 5 EGBERN C[C@@H]1COCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001344853325 1390819417 /nfs/dbraw/zinc/81/94/17/1390819417.db2.gz HGYYYFDUNURDDX-RISCZKNCSA-N 0 0 329.356 3.295 10 5 EGBERN CC[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345465575 1390861067 /nfs/dbraw/zinc/86/10/67/1390861067.db2.gz JGTDSHOUCXLMTN-WBMJQRKESA-N 0 0 343.383 3.373 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC001345701624 1390877849 /nfs/dbraw/zinc/87/78/49/1390877849.db2.gz GLBIHIWPBTZHKF-UHFFFAOYSA-N 0 0 325.280 3.349 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001346196416 1390914429 /nfs/dbraw/zinc/91/44/29/1390914429.db2.gz FBGIFDOLBPMBLE-MFKMUULPSA-N 0 0 327.764 3.147 10 5 EGBERN CO[C@]12CCC[C@@]1(COC(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC001347298332 1391050083 /nfs/dbraw/zinc/05/00/83/1391050083.db2.gz GIWDNVKNXWULQE-ROUUACIJSA-N 0 0 349.383 3.302 10 5 EGBERN Nc1c(C(=O)NCCc2cccs2)cc2ccccc2c1[N+](=O)[O-] ZINC001347789212 1391124575 /nfs/dbraw/zinc/12/45/75/1391124575.db2.gz QTGMWZWTHNVGIK-UHFFFAOYSA-N 0 0 341.392 3.364 10 5 EGBERN CCS[C@H](C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC001347948707 1391150127 /nfs/dbraw/zinc/15/01/27/1391150127.db2.gz KZZFYEJEWMSLGK-AWEZNQCLSA-N 0 0 341.385 3.049 10 5 EGBERN C[C@H](C(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001348269611 1391196753 /nfs/dbraw/zinc/19/67/53/1391196753.db2.gz XZOGWJABHGQAOU-NHYWBVRUSA-N 0 0 336.363 3.055 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001348438745 1391219853 /nfs/dbraw/zinc/21/98/53/1391219853.db2.gz JGNGPRCXXCGCPW-UHFFFAOYSA-N 0 0 336.250 3.477 10 5 EGBERN Cc1cc(C)c(OC(=O)C(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC001348808154 1391270012 /nfs/dbraw/zinc/27/00/12/1391270012.db2.gz RZPJRJPFGSNGCT-UHFFFAOYSA-N 0 0 339.347 3.489 10 5 EGBERN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001349397158 1391326655 /nfs/dbraw/zinc/32/66/55/1391326655.db2.gz ZBKSZFLLGWJZTJ-NVXWUHKLSA-N 0 0 348.362 3.143 10 5 EGBERN C[C@H](Cc1cnccn1)OC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001349596612 1391343995 /nfs/dbraw/zinc/34/39/95/1391343995.db2.gz OWIXJXXBMXJITN-LLVKDONJSA-N 0 0 349.774 3.145 10 5 EGBERN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H]1C ZINC001349636050 1391347373 /nfs/dbraw/zinc/34/73/73/1391347373.db2.gz FUDHHOTUDDZHHK-NVNVUAJTSA-N 0 0 345.399 3.029 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001349887412 1391381461 /nfs/dbraw/zinc/38/14/61/1391381461.db2.gz XYHATMPKSRKANI-ZIAGYGMSSA-N 0 0 330.315 3.103 10 5 EGBERN Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccco2)n1 ZINC001349898198 1391382628 /nfs/dbraw/zinc/38/26/28/1391382628.db2.gz IYRXNDHGGIGDMJ-UHFFFAOYSA-N 0 0 346.730 3.494 10 5 EGBERN CC1=NO[C@@](C)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001350393148 1391457840 /nfs/dbraw/zinc/45/78/40/1391457840.db2.gz ZCMUPIUZRBCZNQ-OAHLLOKOSA-N 0 0 346.368 3.212 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccn(CC(F)(F)F)n1 ZINC001350396902 1391458404 /nfs/dbraw/zinc/45/84/04/1391458404.db2.gz MNDKDHQFUYUILM-UHFFFAOYSA-N 0 0 348.668 3.259 10 5 EGBERN COC(=O)Nc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001350407703 1391460059 /nfs/dbraw/zinc/46/00/59/1391460059.db2.gz QOGDIKJJLCMPBT-UHFFFAOYSA-N 0 0 333.275 3.165 10 5 EGBERN COc1ccc(NC(=O)c2cn(-c3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC001350450966 1391466505 /nfs/dbraw/zinc/46/65/05/1391466505.db2.gz OCIIJGFMBFCAOG-UHFFFAOYSA-N 0 0 338.323 3.041 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1nscc1Br ZINC001350617218 1391490948 /nfs/dbraw/zinc/49/09/48/1391490948.db2.gz XEWLWDRRTLENBT-UHFFFAOYSA-N 0 0 343.158 3.341 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccn1 ZINC001351450019 1391640350 /nfs/dbraw/zinc/64/03/50/1391640350.db2.gz AZGIHZRFZQPJPC-UHFFFAOYSA-N 0 0 326.230 3.366 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001351789274 1391690479 /nfs/dbraw/zinc/69/04/79/1391690479.db2.gz CVUGKAHYIUDUKJ-QYNIQEEDSA-N 0 0 340.252 3.193 10 5 EGBERN O=C(Nc1cccnc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001352001558 1391742590 /nfs/dbraw/zinc/74/25/90/1391742590.db2.gz MKHDPPBGWSPKND-UHFFFAOYSA-N 0 0 349.730 3.057 10 5 EGBERN CCOc1ccccc1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001352368563 1391789801 /nfs/dbraw/zinc/78/98/01/1391789801.db2.gz JRCLKQVTKCMGTK-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1 ZINC001352635160 1391826764 /nfs/dbraw/zinc/82/67/64/1391826764.db2.gz VLNRCVZAFYYQQN-LBPRGKRZSA-N 0 0 329.331 3.199 10 5 EGBERN COc1ccn2c(c1)ncc2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001352649156 1391828029 /nfs/dbraw/zinc/82/80/29/1391828029.db2.gz SSHCDBLEIICWJT-UHFFFAOYSA-N 0 0 346.730 3.157 10 5 EGBERN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001353546422 1392036855 /nfs/dbraw/zinc/03/68/55/1392036855.db2.gz PSDRGHZQKSMZIK-MNOVXSKESA-N 0 0 345.424 3.296 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)n1 ZINC001353814612 1392095670 /nfs/dbraw/zinc/09/56/70/1392095670.db2.gz XHINLYHRXHHTKP-CYBMUJFWSA-N 0 0 340.383 3.173 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2ncccc21 ZINC001353868237 1392103879 /nfs/dbraw/zinc/10/38/79/1392103879.db2.gz HLRFHZRHHRFSOP-UHFFFAOYSA-N 0 0 325.299 3.463 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCOc2ccc(C(C)C)cc2)n1 ZINC001354214601 1392128265 /nfs/dbraw/zinc/12/82/65/1392128265.db2.gz HSJMMNIOQRLOCW-UHFFFAOYSA-N 0 0 343.383 3.230 10 5 EGBERN COC(=O)c1ccsc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001354506831 1392149385 /nfs/dbraw/zinc/14/93/85/1392149385.db2.gz YOIDUSNRZPXKDX-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN CS(C)(=O)=Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001355016401 1392185980 /nfs/dbraw/zinc/18/59/80/1392185980.db2.gz SCPJMYQULSGLFS-UHFFFAOYSA-N 0 0 333.369 3.206 10 5 EGBERN C[C@H](CNC(=O)NCc1cc(C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC001687570123 1396412109 /nfs/dbraw/zinc/41/21/09/1396412109.db2.gz GQJUYVKXVMOJGE-LLVKDONJSA-N 0 0 344.371 3.063 10 5 EGBERN C[C@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001687732315 1396474068 /nfs/dbraw/zinc/47/40/68/1396474068.db2.gz HKOASMJWKKSVNS-CYBMUJFWSA-N 0 0 349.431 3.297 10 5 EGBERN CN(CC1CC(F)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC001696733977 1406120112 /nfs/dbraw/zinc/12/01/12/1406120112.db2.gz BKWYAMHUUXRLMA-UHFFFAOYSA-N 0 0 345.378 3.373 10 5 EGBERN CCN(CCNC(=O)c1cccc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001713480335 1418166156 /nfs/dbraw/zinc/16/61/56/1418166156.db2.gz UWGROTPVOCRVMN-UHFFFAOYSA-N 0 0 341.411 3.155 10 5 EGBERN CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001713708417 1418468027 /nfs/dbraw/zinc/46/80/27/1418468027.db2.gz YAFZCMMVEMIULA-SPSVOKCTSA-N 0 0 343.427 3.126 10 5 EGBERN CCCN(CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001714646682 1419422468 /nfs/dbraw/zinc/42/24/68/1419422468.db2.gz MDXWHNKOIRJUMT-UHFFFAOYSA-N 0 0 341.477 3.421 10 5 EGBERN CCCC1(C(=O)N(C)C2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001733311144 1429494855 /nfs/dbraw/zinc/49/48/55/1429494855.db2.gz SVRJFGITQFLGAZ-UHFFFAOYSA-N 0 0 345.443 3.208 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCCSC ZINC001727508996 1427107606 /nfs/dbraw/zinc/10/76/06/1427107606.db2.gz SFHWSQCTDJONLA-UHFFFAOYSA-N 0 0 349.460 3.138 10 5 EGBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)SC ZINC001764706523 1441390909 /nfs/dbraw/zinc/39/09/09/1441390909.db2.gz BTGSKFYEIIVQMP-UHFFFAOYSA-N 0 0 349.460 3.451 10 5 EGBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1csc([N+](=O)[O-])c1 ZINC000368249208 168331728 /nfs/dbraw/zinc/33/17/28/168331728.db2.gz HYRWYQNBWHESIJ-KGLIPLIRSA-N 0 0 332.381 3.306 10 5 EGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(Cc1ccco1)C1CC1 ZINC000056633549 214381932 /nfs/dbraw/zinc/38/19/32/214381932.db2.gz SZMRNTWTDRXCBA-UHFFFAOYSA-N 0 0 325.324 3.474 10 5 EGBERN CC[C@]1(CO)CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000187051877 529418065 /nfs/dbraw/zinc/41/80/65/529418065.db2.gz GPWWKPWUJGLKSU-BJRSVTDJSA-N 0 0 332.400 3.009 10 5 EGBERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808497 529750147 /nfs/dbraw/zinc/75/01/47/529750147.db2.gz RPXLTDJVTRPUKR-OCCSQVGLSA-N 0 0 329.404 3.243 10 5 EGBERN CCCOc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000066184613 215020431 /nfs/dbraw/zinc/02/04/31/215020431.db2.gz CPYSLJJHIPUBFP-UHFFFAOYSA-N 0 0 344.367 3.322 10 5 EGBERN Cc1nn(CCC(=O)N[C@H]2CCCC[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000103054531 219250681 /nfs/dbraw/zinc/25/06/81/219250681.db2.gz LSNAKXUMDWMLJO-GJZGRUSLSA-N 0 0 336.436 3.129 10 5 EGBERN CC(C)(C)Nc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000040581469 213354026 /nfs/dbraw/zinc/35/40/26/213354026.db2.gz KYWDVSKHOOTYRQ-UHFFFAOYSA-N 0 0 331.332 3.068 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N(C)Cc1cn(C)nc1C(F)(F)F ZINC000127546062 222854632 /nfs/dbraw/zinc/85/46/32/222854632.db2.gz LVAKRKJEZMSLLX-UHFFFAOYSA-N 0 0 328.294 3.292 10 5 EGBERN Cc1c(Cn2nnc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000040117068 213268052 /nfs/dbraw/zinc/26/80/52/213268052.db2.gz PXQDGVYQHIKALH-UHFFFAOYSA-N 0 0 329.747 3.258 10 5 EGBERN O=[N+]([O-])c1ccc(CNS(=O)(=O)CC2CCCCC2)c(Cl)c1 ZINC000184248938 235346000 /nfs/dbraw/zinc/34/60/00/235346000.db2.gz SBFIJVYQXNNQJK-UHFFFAOYSA-N 0 0 346.836 3.248 10 5 EGBERN O=C(Nc1ncc(Br)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000037437310 213147450 /nfs/dbraw/zinc/14/74/50/213147450.db2.gz HEMMXJUVIORZRV-UHFFFAOYSA-N 0 0 343.162 3.458 10 5 EGBERN C[C@@H]1CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000037247153 213136742 /nfs/dbraw/zinc/13/67/42/213136742.db2.gz HDIYGAFBHVFOGQ-SECBINFHSA-N 0 0 327.178 3.229 10 5 EGBERN Cc1cn2c(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)csc2n1 ZINC000025050529 212457254 /nfs/dbraw/zinc/45/72/54/212457254.db2.gz MHPLPUFMCKDEQN-UHFFFAOYSA-N 0 0 330.369 3.102 10 5 EGBERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000191937492 239392622 /nfs/dbraw/zinc/39/26/22/239392622.db2.gz IENNADSCEVTHCS-WCBMZHEXSA-N 0 0 343.177 3.111 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345678104 241707891 /nfs/dbraw/zinc/70/78/91/241707891.db2.gz NAXBDVXAPOZXHV-JKSUJKDBSA-N 0 0 333.347 3.429 10 5 EGBERN Cc1oc2ncnc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2c1C ZINC000225398639 241843125 /nfs/dbraw/zinc/84/31/25/241843125.db2.gz INPDVFITBXFEGV-UHFFFAOYSA-N 0 0 326.312 3.309 10 5 EGBERN O=C1CCC(=O)N1c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000021127731 212209926 /nfs/dbraw/zinc/20/99/26/212209926.db2.gz RHLOVFDTJJUEEH-UHFFFAOYSA-N 0 0 337.291 3.056 10 5 EGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(Cl)cc1 ZINC000021090866 212206100 /nfs/dbraw/zinc/20/61/00/212206100.db2.gz CGVFQTFVWOVFMV-MRXNPFEDSA-N 0 0 345.742 3.487 10 5 EGBERN CCC(=O)Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000021028456 212202248 /nfs/dbraw/zinc/20/22/48/212202248.db2.gz YUABLRYTMXDFQH-UHFFFAOYSA-N 0 0 328.324 3.471 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378399699 169114113 /nfs/dbraw/zinc/11/41/13/169114113.db2.gz SAJYTCSDXFJFNP-QFBILLFUSA-N 0 0 340.379 3.031 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC=C(c2ccccc2F)C1 ZINC000378604761 169145619 /nfs/dbraw/zinc/14/56/19/169145619.db2.gz HORBJRUZCXQQNE-UHFFFAOYSA-N 0 0 330.290 3.412 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC3(CCCC3)C2)c1 ZINC000408443800 169177781 /nfs/dbraw/zinc/17/77/81/169177781.db2.gz PMOYEBWBULHRCY-UHFFFAOYSA-N 0 0 338.429 3.081 10 5 EGBERN CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095083319 218274788 /nfs/dbraw/zinc/27/47/88/218274788.db2.gz GEUXYECEWRPHNY-LLVKDONJSA-N 0 0 349.343 3.124 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152763056 224008499 /nfs/dbraw/zinc/00/84/99/224008499.db2.gz QSJCQYVAVKHFPP-WBMJQRKESA-N 0 0 338.791 3.015 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccs2)C1 ZINC000268536739 252004504 /nfs/dbraw/zinc/00/45/04/252004504.db2.gz YLIGESBGBGLAQX-ZDUSSCGKSA-N 0 0 333.369 3.262 10 5 EGBERN CCn1c(SC[C@H](C)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000269019079 255514949 /nfs/dbraw/zinc/51/49/49/255514949.db2.gz NNXGCMATBLYARF-JTQLQIEISA-N 0 0 334.401 3.190 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408516383 257981796 /nfs/dbraw/zinc/98/17/96/257981796.db2.gz UUNJYFPBBGLHNO-MAZHCROVSA-N 0 0 340.807 3.005 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCOc4cccc(F)c4C3)nc2c1 ZINC000337819135 296510332 /nfs/dbraw/zinc/51/03/32/296510332.db2.gz PVXJSPNZACIQEA-UHFFFAOYSA-N 0 0 328.303 3.009 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338095691 141093031 /nfs/dbraw/zinc/09/30/31/141093031.db2.gz OPNMEHYESYITAT-HNNXBMFYSA-N 0 0 330.315 3.160 10 5 EGBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000338138059 141100614 /nfs/dbraw/zinc/10/06/14/141100614.db2.gz GGNCCGIOOFDBKO-AWEZNQCLSA-N 0 0 330.315 3.160 10 5 EGBERN C[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000338143919 141102354 /nfs/dbraw/zinc/10/23/54/141102354.db2.gz SVYMAZIFPJTKDO-CQSZACIVSA-N 0 0 327.384 3.185 10 5 EGBERN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000346196223 141178267 /nfs/dbraw/zinc/17/82/67/141178267.db2.gz SOGAJOVWNDLTNC-AWEZNQCLSA-N 0 0 327.375 3.065 10 5 EGBERN CC(=O)N(Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1)C1CC1 ZINC000346439130 141194869 /nfs/dbraw/zinc/19/48/69/141194869.db2.gz HZHMMEWEEUQCHT-UHFFFAOYSA-N 0 0 326.356 3.244 10 5 EGBERN O=C(c1cccc2nccnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000347997002 141230791 /nfs/dbraw/zinc/23/07/91/141230791.db2.gz ORSQBBAAAFOOAR-UHFFFAOYSA-N 0 0 348.362 3.343 10 5 EGBERN COc1ncccc1-c1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000356263082 141331003 /nfs/dbraw/zinc/33/10/03/141331003.db2.gz RLQQRKGGUWXUMD-SECBINFHSA-N 0 0 344.302 3.339 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[nH]c2cc(F)ccc21 ZINC000356826342 141349709 /nfs/dbraw/zinc/34/97/09/141349709.db2.gz XQSAXROCKSNMJS-UHFFFAOYSA-N 0 0 346.343 3.341 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000053867175 142582630 /nfs/dbraw/zinc/58/26/30/142582630.db2.gz NBPNQBQPICZDPU-UHFFFAOYSA-N 0 0 340.314 3.054 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CCO2)o1 ZINC000127487490 143953087 /nfs/dbraw/zinc/95/30/87/143953087.db2.gz IEWRJGYJCUWLAD-CYBMUJFWSA-N 0 0 336.369 3.080 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cnc(-c2ccncc2)s1 ZINC000172774821 144027843 /nfs/dbraw/zinc/02/78/43/144027843.db2.gz OSJLUZKKAICHDZ-UHFFFAOYSA-N 0 0 340.364 3.043 10 5 EGBERN CN(C)c1ncccc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000174682082 144050421 /nfs/dbraw/zinc/05/04/21/144050421.db2.gz HIWSHXQFDIBZKE-UHFFFAOYSA-N 0 0 338.314 3.269 10 5 EGBERN COc1cccc(NC2CCN(c3ccc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000185469940 144113391 /nfs/dbraw/zinc/11/33/91/144113391.db2.gz YNFBXZURXTYEHP-UHFFFAOYSA-N 0 0 342.399 3.388 10 5 EGBERN COC[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccccc1 ZINC000186449162 144133589 /nfs/dbraw/zinc/13/35/89/144133589.db2.gz OSEQCELWLXFMSX-CQSZACIVSA-N 0 0 346.408 3.434 10 5 EGBERN CSc1cccc(C(=O)N(C(C)C)C2CCOCC2)c1[N+](=O)[O-] ZINC000186558935 144137558 /nfs/dbraw/zinc/13/75/58/144137558.db2.gz ISBOZQBSNTWTAA-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187449674 144159376 /nfs/dbraw/zinc/15/93/76/144159376.db2.gz UMRFVHNDANDWOY-UHFFFAOYSA-N 0 0 338.363 3.048 10 5 EGBERN CC[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000351734527 144298604 /nfs/dbraw/zinc/29/86/04/144298604.db2.gz JNSBOMIGZXHHFY-SNVBAGLBSA-N 0 0 349.328 3.034 10 5 EGBERN Cc1ccsc1[C@H](CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000351819808 144311537 /nfs/dbraw/zinc/31/15/37/144311537.db2.gz BSOKOOVTLIBRBP-ZDUSSCGKSA-N 0 0 328.340 3.066 10 5 EGBERN COc1ncc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000341145419 155189429 /nfs/dbraw/zinc/18/94/29/155189429.db2.gz AFBVXCQNDPJJDT-UHFFFAOYSA-N 0 0 325.683 3.043 10 5 EGBERN CC(=O)c1cc(NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000341169295 155205578 /nfs/dbraw/zinc/20/55/78/155205578.db2.gz NLAUPRQZQAMWMU-CYBMUJFWSA-N 0 0 328.324 3.049 10 5 EGBERN CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000341299775 155235209 /nfs/dbraw/zinc/23/52/09/155235209.db2.gz XYMANORZHOGFAI-AWEZNQCLSA-N 0 0 331.376 3.218 10 5 EGBERN C[C@H](NC(=O)c1cccc2ccc(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000341396732 155268102 /nfs/dbraw/zinc/26/81/02/155268102.db2.gz ZZLXDWGGEUAZLW-NSHDSACASA-N 0 0 337.335 3.340 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000116423776 152059601 /nfs/dbraw/zinc/05/96/01/152059601.db2.gz DUPCJBYLIWMGKQ-HNNXBMFYSA-N 0 0 329.356 3.277 10 5 EGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000117590043 152104461 /nfs/dbraw/zinc/10/44/61/152104461.db2.gz WSCIJWRMMSBVEB-GLEZIHRCSA-N 0 0 334.278 3.376 10 5 EGBERN CCc1noc(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120901280 152309895 /nfs/dbraw/zinc/30/98/95/152309895.db2.gz BGTDQZLEEBNBMV-UHFFFAOYSA-N 0 0 330.344 3.280 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000120931538 152311366 /nfs/dbraw/zinc/31/13/66/152311366.db2.gz HQYMEAWAQNNVCK-UHFFFAOYSA-N 0 0 349.778 3.383 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000121084158 152324308 /nfs/dbraw/zinc/32/43/08/152324308.db2.gz PTQRWKRQIIOXPV-FZMZJTMJSA-N 0 0 349.749 3.377 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000175525754 152876989 /nfs/dbraw/zinc/87/69/89/152876989.db2.gz QPVPFUBLMJTQCX-NSHDSACASA-N 0 0 349.412 3.339 10 5 EGBERN COc1ccc(F)c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000189224258 153057796 /nfs/dbraw/zinc/05/77/96/153057796.db2.gz NGKVRXVDUHGYFB-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000189615135 153084735 /nfs/dbraw/zinc/08/47/35/153084735.db2.gz QZUJOJVAKOTGDT-WDEREUQCSA-N 0 0 347.346 3.118 10 5 EGBERN CC(C)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000190207719 153122453 /nfs/dbraw/zinc/12/24/53/153122453.db2.gz AZKUXVJGHMVAOM-QZTJIDSGSA-N 0 0 340.379 3.106 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000191641501 153213454 /nfs/dbraw/zinc/21/34/54/153213454.db2.gz FFJFDLMDEVJVPP-WCQYABFASA-N 0 0 338.429 3.393 10 5 EGBERN CC[C@@H](Nc1cc(-n2cnnn2)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000192765972 153257768 /nfs/dbraw/zinc/25/77/68/153257768.db2.gz OCFOPPRWAQTUMZ-MRXNPFEDSA-N 0 0 338.371 3.442 10 5 EGBERN Nc1c(C(=O)N2CC=C(c3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000193508836 153292897 /nfs/dbraw/zinc/29/28/97/153292897.db2.gz TWKJVFCMQYIWPD-UHFFFAOYSA-N 0 0 341.342 3.246 10 5 EGBERN Nc1cccc2c1CCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237868512 153538581 /nfs/dbraw/zinc/53/85/81/153538581.db2.gz ZLCAZDOFKYZWOW-UHFFFAOYSA-N 0 0 325.368 3.089 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1C ZINC000360193743 292292080 /nfs/dbraw/zinc/29/20/80/292292080.db2.gz KQXFIMDTFDHYKC-HUUCEWRRSA-N 0 0 346.408 3.046 10 5 EGBERN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000341711157 155440459 /nfs/dbraw/zinc/44/04/59/155440459.db2.gz CPRIBAOFPRAKCR-RKDXNWHRSA-N 0 0 343.177 3.111 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](c3cccnc3)C3CC3)cc2N1 ZINC000340081492 155093046 /nfs/dbraw/zinc/09/30/46/155093046.db2.gz FCYSNLSUXLDBMV-SFHVURJKSA-N 0 0 338.367 3.438 10 5 EGBERN CCc1nc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cs1 ZINC000341062587 155131603 /nfs/dbraw/zinc/13/16/03/155131603.db2.gz CHHODKAHZSJYBU-UHFFFAOYSA-N 0 0 348.428 3.122 10 5 EGBERN COC1CCC(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342944771 155593372 /nfs/dbraw/zinc/59/33/72/155593372.db2.gz PHRVKOGSYDCZJB-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000345443962 156108761 /nfs/dbraw/zinc/10/87/61/156108761.db2.gz KOERWSFXKHGINV-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000346881519 156176371 /nfs/dbraw/zinc/17/63/71/156176371.db2.gz FIXNNZIJCTZOKP-LBPRGKRZSA-N 0 0 329.278 3.007 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000346923749 156198477 /nfs/dbraw/zinc/19/84/77/156198477.db2.gz QTNGNBYZQZACNO-ZDUSSCGKSA-N 0 0 345.321 3.486 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000346973222 156224412 /nfs/dbraw/zinc/22/44/12/156224412.db2.gz CLGFYCMQJVGTPS-UHFFFAOYSA-N 0 0 348.305 3.080 10 5 EGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356439335 156689789 /nfs/dbraw/zinc/68/97/89/156689789.db2.gz VJMKLCBUYAMFKX-SNVBAGLBSA-N 0 0 340.788 3.082 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000368756579 157281062 /nfs/dbraw/zinc/28/10/62/157281062.db2.gz ILGCGUDODYRXDE-GFCCVEGCSA-N 0 0 326.418 3.244 10 5 EGBERN COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000368865557 157310722 /nfs/dbraw/zinc/31/07/22/157310722.db2.gz JIXKTCKMTYFVNR-NSHDSACASA-N 0 0 348.380 3.227 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1noc(Cc2ccccc2)n1 ZINC000068043143 161601771 /nfs/dbraw/zinc/60/17/71/161601771.db2.gz ZJBDFTHLFHRXHG-UHFFFAOYSA-N 0 0 341.323 3.156 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000105850240 162059268 /nfs/dbraw/zinc/05/92/68/162059268.db2.gz WFSXXRTVJCNVCM-MRXNPFEDSA-N 0 0 342.399 3.231 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc([N+](=O)[O-])ccc1Cl ZINC000126839507 162315246 /nfs/dbraw/zinc/31/52/46/162315246.db2.gz SBIIHYMGXFIARX-VNQPRFMTSA-N 0 0 328.755 3.316 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccccc2C(F)(F)F)c1=O ZINC000127228100 162326762 /nfs/dbraw/zinc/32/67/62/162326762.db2.gz SJAODJVYIPCGTE-UHFFFAOYSA-N 0 0 342.273 3.163 10 5 EGBERN COc1cc(C(C)=O)c(OC)cc1OCc1csc([N+](=O)[O-])c1 ZINC000131550905 162404809 /nfs/dbraw/zinc/40/48/09/162404809.db2.gz MHIDYXDJPMFVRV-UHFFFAOYSA-N 0 0 337.353 3.455 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000133119226 162451001 /nfs/dbraw/zinc/45/10/01/162451001.db2.gz DGJGQGYJGCPWAH-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000247321758 162948558 /nfs/dbraw/zinc/94/85/58/162948558.db2.gz LVRKAVAZSPYFNF-CQSZACIVSA-N 0 0 325.368 3.450 10 5 EGBERN CCOC(=O)c1csc(COc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000336892844 163087850 /nfs/dbraw/zinc/08/78/50/163087850.db2.gz KCKRVMLXLWGNCO-UHFFFAOYSA-N 0 0 342.760 3.460 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(OC)cc(OC)c2C)c1 ZINC000337125342 163135366 /nfs/dbraw/zinc/13/53/66/163135366.db2.gz DVZBUKDXHNCTDQ-UHFFFAOYSA-N 0 0 346.339 3.181 10 5 EGBERN COc1cc(CN2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245549 163178100 /nfs/dbraw/zinc/17/81/00/163178100.db2.gz HGUSLLNNVRTACA-OAHLLOKOSA-N 0 0 330.388 3.064 10 5 EGBERN C[C@@H](C(=O)N1CCCC[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000337254198 163181631 /nfs/dbraw/zinc/18/16/31/163181631.db2.gz PWZMYZYIRLBKFV-RNCFNFMXSA-N 0 0 330.306 3.484 10 5 EGBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000338104332 163196321 /nfs/dbraw/zinc/19/63/21/163196321.db2.gz XHSJBNCXZDEMPL-OAHLLOKOSA-N 0 0 344.342 3.468 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338497265 163247317 /nfs/dbraw/zinc/24/73/17/163247317.db2.gz QIMZYPTYCOFYAQ-NSHDSACASA-N 0 0 346.861 3.351 10 5 EGBERN Cc1nn(CCC(=O)N(Cc2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000338618484 163295150 /nfs/dbraw/zinc/29/51/50/163295150.db2.gz AQUPJQZJPFYCKL-UHFFFAOYSA-N 0 0 344.415 3.235 10 5 EGBERN CCOc1cccc(N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)c1[N+](=O)[O-] ZINC000338839538 163360297 /nfs/dbraw/zinc/36/02/97/163360297.db2.gz HDHSINONLNDHPP-BMFZPTHFSA-N 0 0 346.387 3.021 10 5 EGBERN C[C@H](NC(=O)c1cccc2ccc(=O)[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000343626408 163997036 /nfs/dbraw/zinc/99/70/36/163997036.db2.gz ZXBQUMVOSNYPAS-NSHDSACASA-N 0 0 337.335 3.340 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000354802799 166036162 /nfs/dbraw/zinc/03/61/62/166036162.db2.gz MGCOQPPOOHDQDL-UHFFFAOYSA-N 0 0 339.233 3.064 10 5 EGBERN Cc1cn2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000343824060 164043763 /nfs/dbraw/zinc/04/37/63/164043763.db2.gz LBNQBQZCXNYFIH-UHFFFAOYSA-N 0 0 342.380 3.282 10 5 EGBERN CCOc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000343849855 164050609 /nfs/dbraw/zinc/05/06/09/164050609.db2.gz VZUQBWDVGVNTMB-CYBMUJFWSA-N 0 0 348.399 3.430 10 5 EGBERN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)C(F)(F)F ZINC000344208110 164127033 /nfs/dbraw/zinc/12/70/33/164127033.db2.gz JMICHDDUIODTQL-SSDOTTSWSA-N 0 0 340.248 3.215 10 5 EGBERN C[C@@H](c1cccc(Nc2ccc([N+](=O)[O-])nc2)c1)N1CCOCC1 ZINC000344425396 164176187 /nfs/dbraw/zinc/17/61/87/164176187.db2.gz VTURHARBKXBOBS-ZDUSSCGKSA-N 0 0 328.372 3.127 10 5 EGBERN C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000345545424 164213122 /nfs/dbraw/zinc/21/31/22/164213122.db2.gz QTVNNKMMMHZHFD-VXGBXAGGSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1ccccc1F ZINC000345729394 164253680 /nfs/dbraw/zinc/25/36/80/164253680.db2.gz YXIWNQXVGFBMEA-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN CCOc1ccc(C(=O)N2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC000345740896 164256173 /nfs/dbraw/zinc/25/61/73/164256173.db2.gz HKTLUQREFUUCFB-UHFFFAOYSA-N 0 0 328.324 3.081 10 5 EGBERN Cn1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000345829710 164274372 /nfs/dbraw/zinc/27/43/72/164274372.db2.gz KRQHALFKADRQLS-UHFFFAOYSA-N 0 0 328.397 3.347 10 5 EGBERN O=C(NC[C@@H]1CCCSC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000345859640 164281509 /nfs/dbraw/zinc/28/15/09/164281509.db2.gz ONZXGNDNCARSHA-VIFPVBQESA-N 0 0 348.346 3.487 10 5 EGBERN CC(C)(NC(=O)c1csc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000346005208 164315683 /nfs/dbraw/zinc/31/56/83/164315683.db2.gz SZFLZHUOXRDYAO-UHFFFAOYSA-N 0 0 349.290 3.328 10 5 EGBERN Cc1nn([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000354920824 166064310 /nfs/dbraw/zinc/06/43/10/166064310.db2.gz OONVYHDIKVHDKH-SECBINFHSA-N 0 0 333.735 3.412 10 5 EGBERN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccccc1[N+](=O)[O-] ZINC000348807060 164819865 /nfs/dbraw/zinc/81/98/65/164819865.db2.gz UIHAPPOZLFQNOQ-JSGCOSHPSA-N 0 0 325.368 3.371 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000354939355 166069295 /nfs/dbraw/zinc/06/92/95/166069295.db2.gz VSQZABJAYVHJDX-CVEARBPZSA-N 0 0 346.427 3.409 10 5 EGBERN COC1CCC(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000349550580 164894915 /nfs/dbraw/zinc/89/49/15/164894915.db2.gz BFHXPFLOSSPDJM-UHFFFAOYSA-N 0 0 345.399 3.401 10 5 EGBERN C[C@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000349838828 164956913 /nfs/dbraw/zinc/95/69/13/164956913.db2.gz YNFHBBLMUTZPIJ-LBPRGKRZSA-N 0 0 327.388 3.159 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCCO1 ZINC000351680282 165131064 /nfs/dbraw/zinc/13/10/64/165131064.db2.gz PZFUAIAYOXGNGH-UHFFFAOYSA-N 0 0 333.369 3.276 10 5 EGBERN COc1cc(COc2cc(C(=O)N(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000351898235 165142073 /nfs/dbraw/zinc/14/20/73/165142073.db2.gz OWZRLELVVAUJNH-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000351903510 165144112 /nfs/dbraw/zinc/14/41/12/165144112.db2.gz XUKMKKVPGQHLOT-CABCVRRESA-N 0 0 346.408 3.046 10 5 EGBERN COc1cc(COc2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000352062758 165215912 /nfs/dbraw/zinc/21/59/12/165215912.db2.gz RWPWYCZGEUCJHW-UHFFFAOYSA-N 0 0 325.324 3.368 10 5 EGBERN Cc1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000352253761 165310084 /nfs/dbraw/zinc/31/00/84/165310084.db2.gz OFMQQIITKUFWKZ-QGZVFWFLSA-N 0 0 333.388 3.328 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000352252698 165310929 /nfs/dbraw/zinc/31/09/29/165310929.db2.gz FLSRUJMOLQSESI-QGZVFWFLSA-N 0 0 333.388 3.328 10 5 EGBERN Cc1cccc2[nH]c(CNc3nc4ccccc4cc3[N+](=O)[O-])nc21 ZINC000352368338 165366975 /nfs/dbraw/zinc/36/69/75/165366975.db2.gz UGZVYUZBYWOMEL-UHFFFAOYSA-N 0 0 333.351 3.362 10 5 EGBERN COC(C)(C)c1nc(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352917557 165565993 /nfs/dbraw/zinc/56/59/93/165565993.db2.gz TTZRKVRGYQOWRZ-UHFFFAOYSA-N 0 0 349.412 3.171 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000355161503 166120157 /nfs/dbraw/zinc/12/01/57/166120157.db2.gz IRGPQICAJYCLCL-SGTLLEGYSA-N 0 0 334.416 3.210 10 5 EGBERN Cc1nc(CC(C)C)oc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355877064 166335414 /nfs/dbraw/zinc/33/54/14/166335414.db2.gz FTAPLYKPSBRWPZ-UHFFFAOYSA-N 0 0 331.372 3.062 10 5 EGBERN COC(=O)c1cc(F)ccc1COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355933880 166352157 /nfs/dbraw/zinc/35/21/57/166352157.db2.gz FRCPQSDRANINOM-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000355937018 166352841 /nfs/dbraw/zinc/35/28/41/166352841.db2.gz GLRWIWWKRNEIJS-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCC[C@@H]1CCO ZINC000356733388 166494967 /nfs/dbraw/zinc/49/49/67/166494967.db2.gz BBLRJSZCESFPFU-LLVKDONJSA-N 0 0 326.780 3.015 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCC1 ZINC000357540328 166705458 /nfs/dbraw/zinc/70/54/58/166705458.db2.gz XDZXXAOOIVURKW-CYBMUJFWSA-N 0 0 347.415 3.058 10 5 EGBERN CCOc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000358551578 166896856 /nfs/dbraw/zinc/89/68/56/166896856.db2.gz GEZTYEMGXYAMBB-DZGCQCFKSA-N 0 0 340.326 3.111 10 5 EGBERN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccn1 ZINC000358923552 167006685 /nfs/dbraw/zinc/00/66/85/167006685.db2.gz WKDQBMKMEYTBOU-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000359083526 167062424 /nfs/dbraw/zinc/06/24/24/167062424.db2.gz ONJCURVMKQRKIJ-LBPRGKRZSA-N 0 0 347.806 3.346 10 5 EGBERN COc1ccc(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000359083636 167062806 /nfs/dbraw/zinc/06/28/06/167062806.db2.gz PBHSMBTYNWOSJF-UHFFFAOYSA-N 0 0 331.372 3.260 10 5 EGBERN COC(=O)[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000359090491 167064034 /nfs/dbraw/zinc/06/40/34/167064034.db2.gz FYTKJBVKYGKELU-HNNXBMFYSA-N 0 0 343.383 3.284 10 5 EGBERN COc1ccc(F)cc1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359280846 167114141 /nfs/dbraw/zinc/11/41/41/167114141.db2.gz QGULVZHSNFOSGF-UHFFFAOYSA-N 0 0 347.346 3.050 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cncc(F)c1 ZINC000359552842 167191124 /nfs/dbraw/zinc/19/11/24/167191124.db2.gz DZLQDEOAGJERRJ-JTQLQIEISA-N 0 0 340.314 3.168 10 5 EGBERN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cncc(F)c1 ZINC000359556078 167191972 /nfs/dbraw/zinc/19/19/72/167191972.db2.gz UXQJACZRGQHZFD-VIFPVBQESA-N 0 0 328.303 3.101 10 5 EGBERN CNC(=O)C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000360281769 167288608 /nfs/dbraw/zinc/28/86/08/167288608.db2.gz CFXFOVXQSQHWAD-CQSZACIVSA-N 0 0 335.310 3.162 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360625593 167372285 /nfs/dbraw/zinc/37/22/85/167372285.db2.gz BDDJRUPLKCXCKT-CYBMUJFWSA-N 0 0 343.358 3.144 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000360639199 167375809 /nfs/dbraw/zinc/37/58/09/167375809.db2.gz QMJOAXARLKVARH-AWEZNQCLSA-N 0 0 331.397 3.476 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3/C=C/c3ccccc3)nn21 ZINC000360641055 167376439 /nfs/dbraw/zinc/37/64/39/167376439.db2.gz ICLKIUWCXXBGIB-XVJNWHFHSA-N 0 0 335.367 3.320 10 5 EGBERN Cc1ccc(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cn1 ZINC000360700310 167391421 /nfs/dbraw/zinc/39/14/21/167391421.db2.gz SJOZPFGLGAIXLV-UHFFFAOYSA-N 0 0 343.358 3.457 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000361074787 167510787 /nfs/dbraw/zinc/51/07/87/167510787.db2.gz QSNUSNHLPIAXMT-HNNXBMFYSA-N 0 0 327.388 3.213 10 5 EGBERN C[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000364964981 168006096 /nfs/dbraw/zinc/00/60/96/168006096.db2.gz RQVUKUUQQUKWHG-LLVKDONJSA-N 0 0 338.791 3.279 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000364990393 168008784 /nfs/dbraw/zinc/00/87/84/168008784.db2.gz PDZIBKLKHZQKDW-KRWDZBQOSA-N 0 0 348.399 3.025 10 5 EGBERN COC(=O)c1cnc(N2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000365092887 168020892 /nfs/dbraw/zinc/02/08/92/168020892.db2.gz WXEBXBWGZKFWLQ-CQSZACIVSA-N 0 0 341.367 3.079 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000366194141 168092864 /nfs/dbraw/zinc/09/28/64/168092864.db2.gz YVWNDQXDUNOXBB-HNNXBMFYSA-N 0 0 325.368 3.400 10 5 EGBERN Cc1sc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000367548694 168239694 /nfs/dbraw/zinc/23/96/94/168239694.db2.gz FCIRQFNPFFRWFV-CJNGLKHVSA-N 0 0 346.408 3.472 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(-c4ccccc4)ccc32)n1 ZINC000367555749 168241521 /nfs/dbraw/zinc/24/15/21/168241521.db2.gz CIJABQONHVHOMJ-UHFFFAOYSA-N 0 0 348.362 3.198 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](c2ccsc2)C1 ZINC000367928270 168285286 /nfs/dbraw/zinc/28/52/86/168285286.db2.gz RKGZULUFSNRRNB-INIZCTEOSA-N 0 0 332.381 3.437 10 5 EGBERN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167528055 226193987 /nfs/dbraw/zinc/19/39/87/226193987.db2.gz GZHPXLQXQDDHIV-GOSISDBHSA-N 0 0 328.368 3.177 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)CC(F)F ZINC000174628895 265060413 /nfs/dbraw/zinc/06/04/13/265060413.db2.gz VULKOJRCIXEHHI-UHFFFAOYSA-N 0 0 335.310 3.206 10 5 EGBERN CC[C@H](NC(=O)c1cc(F)cc2[nH]cnc21)c1cccc([N+](=O)[O-])c1 ZINC000177790191 265278384 /nfs/dbraw/zinc/27/83/84/265278384.db2.gz WCNJXIVXCBKGLE-AWEZNQCLSA-N 0 0 342.330 3.491 10 5 EGBERN CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000177791788 265278719 /nfs/dbraw/zinc/27/87/19/265278719.db2.gz MDHBEMQJRFTSBD-OAHLLOKOSA-N 0 0 330.388 3.427 10 5 EGBERN CCOc1cccc(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000178845675 265345844 /nfs/dbraw/zinc/34/58/44/265345844.db2.gz ORBVCNXTZIJUEO-UHFFFAOYSA-N 0 0 343.383 3.035 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000185602386 265497350 /nfs/dbraw/zinc/49/73/50/265497350.db2.gz SNKBNMKJDVWHCR-NSHDSACASA-N 0 0 330.315 3.470 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)n1 ZINC000191540470 265911912 /nfs/dbraw/zinc/91/19/12/265911912.db2.gz FNEXTTHTYRRUGA-LBPRGKRZSA-N 0 0 346.387 3.156 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(-c2ccccn2)s1 ZINC000193328616 266023654 /nfs/dbraw/zinc/02/36/54/266023654.db2.gz MLKOAQQNBHFQJI-UHFFFAOYSA-N 0 0 327.369 3.429 10 5 EGBERN CCOc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000195482666 266185479 /nfs/dbraw/zinc/18/54/79/266185479.db2.gz GMPQWVSZSZQSCS-UHFFFAOYSA-N 0 0 344.367 3.274 10 5 EGBERN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000269394907 266286143 /nfs/dbraw/zinc/28/61/43/266286143.db2.gz MRDWUNOHTVXEOB-LLVKDONJSA-N 0 0 331.376 3.060 10 5 EGBERN C[C@@H]1C[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269630732 266329780 /nfs/dbraw/zinc/32/97/80/266329780.db2.gz HRBCLDRTNUZAGC-RQJHMYQMSA-N 0 0 347.596 3.397 10 5 EGBERN CCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])c(C)n3)ccc21 ZINC000273509661 267050938 /nfs/dbraw/zinc/05/09/38/267050938.db2.gz PWXAMQRXAYJSOY-UHFFFAOYSA-N 0 0 326.356 3.341 10 5 EGBERN CC[C@H](C)Oc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000273915246 267141266 /nfs/dbraw/zinc/14/12/66/267141266.db2.gz QGJNFVGICBARAZ-JTQLQIEISA-N 0 0 343.343 3.223 10 5 EGBERN CCOC(CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OCC ZINC000276487580 267559758 /nfs/dbraw/zinc/55/97/58/267559758.db2.gz NASQLQWCTVLRAY-UHFFFAOYSA-N 0 0 344.795 3.076 10 5 EGBERN C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000276538400 267569980 /nfs/dbraw/zinc/56/99/80/267569980.db2.gz CVLRHCQSPVBAFG-SUMWQHHRSA-N 0 0 337.383 3.427 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000277843914 267881043 /nfs/dbraw/zinc/88/10/43/267881043.db2.gz JAMUIVGAWVFZMX-LBPRGKRZSA-N 0 0 348.790 3.098 10 5 EGBERN Cc1cc(C[C@@H](C)Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])n[nH]1 ZINC000278461885 268018433 /nfs/dbraw/zinc/01/84/33/268018433.db2.gz STYCNOQJXDNVNT-SSDOTTSWSA-N 0 0 329.282 3.083 10 5 EGBERN CSc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000278513934 268030204 /nfs/dbraw/zinc/03/02/04/268030204.db2.gz BTGDDQUMVRFJKM-LBPRGKRZSA-N 0 0 332.385 3.017 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000363875440 275012752 /nfs/dbraw/zinc/01/27/52/275012752.db2.gz ZOUCRNJSQQYODP-GFCCVEGCSA-N 0 0 331.759 3.273 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000183173932 275210644 /nfs/dbraw/zinc/21/06/44/275210644.db2.gz NVUWUJIBTPWZCB-IAQYHMDHSA-N 0 0 342.399 3.242 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc3cc[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000194829184 275227249 /nfs/dbraw/zinc/22/72/49/275227249.db2.gz PYFGFNHYXAYCOO-UHFFFAOYSA-N 0 0 339.307 3.115 10 5 EGBERN O=C(NCC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000279777532 275358651 /nfs/dbraw/zinc/35/86/51/275358651.db2.gz NIRVYSRIISDMGU-UHFFFAOYSA-N 0 0 339.395 3.241 10 5 EGBERN CCc1nc(CNc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000280366705 275442545 /nfs/dbraw/zinc/44/25/45/275442545.db2.gz KBYRSSWSVVISNI-UHFFFAOYSA-N 0 0 341.165 3.223 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000282081037 275601421 /nfs/dbraw/zinc/60/14/21/275601421.db2.gz DBADAZZMAKWDGP-AWEZNQCLSA-N 0 0 342.399 3.162 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000283584931 275736026 /nfs/dbraw/zinc/73/60/26/275736026.db2.gz LCYNBZWRSHJXME-ZDUSSCGKSA-N 0 0 343.387 3.144 10 5 EGBERN CC[C@H](C)[C@H](NC(C)=O)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000285673631 275901885 /nfs/dbraw/zinc/90/18/85/275901885.db2.gz NEKQIXYEJPCHQD-PKWAYOAASA-N 0 0 336.388 3.058 10 5 EGBERN CCOC(=O)C(F)(F)[C@@]1(N)CCC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000095642919 276272714 /nfs/dbraw/zinc/27/27/14/276272714.db2.gz VSIMRJQCWWLCFB-OAHLLOKOSA-N 0 0 342.342 3.019 10 5 EGBERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289616413 276366978 /nfs/dbraw/zinc/36/69/78/276366978.db2.gz JMIYYADAUKCAEC-SECBINFHSA-N 0 0 343.767 3.102 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCCCc2nccs2)cc1[N+](=O)[O-] ZINC000290848031 276550325 /nfs/dbraw/zinc/55/03/25/276550325.db2.gz ZSSPAKJTKFWJSZ-LBPRGKRZSA-N 0 0 348.428 3.353 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000290864140 276552807 /nfs/dbraw/zinc/55/28/07/276552807.db2.gz AFLIUPCJJOISJM-INIZCTEOSA-N 0 0 329.400 3.111 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000291757392 276686724 /nfs/dbraw/zinc/68/67/24/276686724.db2.gz ZCXMJRJKCVIDSH-NSNJOPQOSA-N 0 0 344.411 3.414 10 5 EGBERN C[C@H]1COCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292169875 276744514 /nfs/dbraw/zinc/74/45/14/276744514.db2.gz FWYMXCAMPQPQEJ-WRWORJQWSA-N 0 0 333.171 3.056 10 5 EGBERN CC[C@@H]1CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000292486518 276806622 /nfs/dbraw/zinc/80/66/22/276806622.db2.gz CDWHGOZUUXELFT-LLVKDONJSA-N 0 0 331.294 3.308 10 5 EGBERN COCCCOC1CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000338677397 277208975 /nfs/dbraw/zinc/20/89/75/277208975.db2.gz OJWPQQIRUKICQS-UHFFFAOYSA-N 0 0 348.321 3.164 10 5 EGBERN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000120603112 277352522 /nfs/dbraw/zinc/35/25/22/277352522.db2.gz CBKVARZHRRIFDQ-QGZVFWFLSA-N 0 0 340.379 3.304 10 5 EGBERN CC1(C)SC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338492724 278421609 /nfs/dbraw/zinc/42/16/09/278421609.db2.gz ZQBXUUHIFBZXHE-JTQLQIEISA-N 0 0 334.319 3.237 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CCC23CCC3)cc1[N+](=O)[O-] ZINC000337976638 278582711 /nfs/dbraw/zinc/58/27/11/278582711.db2.gz IVPCDJXXLWALFR-UHFFFAOYSA-N 0 0 339.189 3.434 10 5 EGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189950542 278937947 /nfs/dbraw/zinc/93/79/47/278937947.db2.gz BKGKQIVLLLHIOS-AWEZNQCLSA-N 0 0 330.315 3.296 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000171447678 280023020 /nfs/dbraw/zinc/02/30/20/280023020.db2.gz ZPMZTIMIDWNTMQ-KIFYNCCSSA-N 0 0 342.395 3.268 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N(C)C)cc1 ZINC000348883354 280023814 /nfs/dbraw/zinc/02/38/14/280023814.db2.gz CBBSPKVEKIEPJO-LBPRGKRZSA-N 0 0 325.368 3.252 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055875 280095661 /nfs/dbraw/zinc/09/56/61/280095661.db2.gz UOLMFOZNJVNZCC-XPUUQOCRSA-N 0 0 332.307 3.377 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cccnc1OC ZINC000360789832 280159121 /nfs/dbraw/zinc/15/91/21/280159121.db2.gz XWSOMLDCNWVXIW-AWEZNQCLSA-N 0 0 343.383 3.230 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000355903216 280658462 /nfs/dbraw/zinc/65/84/62/280658462.db2.gz FTWIBNIFQVFUON-ZDUSSCGKSA-N 0 0 326.352 3.327 10 5 EGBERN CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947864 281525563 /nfs/dbraw/zinc/52/55/63/281525563.db2.gz RVEQYQNCBZJIBL-JKSUJKDBSA-N 0 0 341.415 3.251 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)cc1F ZINC000052021131 307331482 /nfs/dbraw/zinc/33/14/82/307331482.db2.gz KFZJKBYTYCHDKX-UHFFFAOYSA-N 0 0 333.319 3.477 10 5 EGBERN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000054646449 307338801 /nfs/dbraw/zinc/33/88/01/307338801.db2.gz FUPSCGKQZOJXAE-LLVKDONJSA-N 0 0 349.337 3.476 10 5 EGBERN Cc1ncsc1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066407390 307362134 /nfs/dbraw/zinc/36/21/34/307362134.db2.gz YYYPQKHXUPENOF-UHFFFAOYSA-N 0 0 330.369 3.113 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067466296 307365988 /nfs/dbraw/zinc/36/59/88/307365988.db2.gz DYJKZIHNWJFZOR-CYBMUJFWSA-N 0 0 346.358 3.250 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079431947 307425597 /nfs/dbraw/zinc/42/55/97/307425597.db2.gz UEMKBGYAFUWUEE-LBPRGKRZSA-N 0 0 329.356 3.268 10 5 EGBERN COCC[C@H](C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000413884065 309051347 /nfs/dbraw/zinc/05/13/47/309051347.db2.gz WBJNWNANZBJNMD-VIFPVBQESA-N 0 0 334.294 3.016 10 5 EGBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000121398070 307518755 /nfs/dbraw/zinc/51/87/55/307518755.db2.gz XXVBJXCFZVCWTN-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122771086 307532805 /nfs/dbraw/zinc/53/28/05/307532805.db2.gz JJRWUDDZICZARY-OCCSQVGLSA-N 0 0 339.417 3.399 10 5 EGBERN CCc1ccc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000134564246 307689989 /nfs/dbraw/zinc/68/99/89/307689989.db2.gz BWAVABQOLZCXMS-PBHICJAKSA-N 0 0 334.416 3.218 10 5 EGBERN COc1c(C)cnc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153333741 307771127 /nfs/dbraw/zinc/77/11/27/307771127.db2.gz BRLZDXGUKZEYGW-UHFFFAOYSA-N 0 0 327.384 3.174 10 5 EGBERN Cc1sc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000159145477 307869005 /nfs/dbraw/zinc/86/90/05/307869005.db2.gz OARPOJDAFPRDEF-JTQLQIEISA-N 0 0 334.397 3.374 10 5 EGBERN Cc1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)n1 ZINC000165756307 307930074 /nfs/dbraw/zinc/93/00/74/307930074.db2.gz BEHPEJSDNDURAN-UHFFFAOYSA-N 0 0 337.177 3.376 10 5 EGBERN C[C@]12CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(F)F ZINC000292987136 308087208 /nfs/dbraw/zinc/08/72/08/308087208.db2.gz XWKDBSKBFRWFNS-ZBFHGGJFSA-N 0 0 349.337 3.053 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631022 308239851 /nfs/dbraw/zinc/23/98/51/308239851.db2.gz PGYGGONYLABKNI-UWVGGRQHSA-N 0 0 332.322 3.347 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294786450 308256801 /nfs/dbraw/zinc/25/68/01/308256801.db2.gz AOTRBPOKHBFEOM-VXGBXAGGSA-N 0 0 328.372 3.246 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@](C)(F)C1 ZINC000295410067 308324009 /nfs/dbraw/zinc/32/40/09/308324009.db2.gz MTESWEPHPCLSCU-BONVTDFDSA-N 0 0 343.786 3.399 10 5 EGBERN C[C@H](NC(=O)NCCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000296969178 308485195 /nfs/dbraw/zinc/48/51/95/308485195.db2.gz GOYDNJKVUMSBCZ-NSHDSACASA-N 0 0 334.401 3.044 10 5 EGBERN C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)c1ccccc1[N+](=O)[O-] ZINC000297359200 308526106 /nfs/dbraw/zinc/52/61/06/308526106.db2.gz BZLYXJDDCFHNPE-SNVBAGLBSA-N 0 0 328.324 3.198 10 5 EGBERN CC1(C)OCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297837566 308567222 /nfs/dbraw/zinc/56/72/22/308567222.db2.gz WEHSSKYUANHLLG-SNVBAGLBSA-N 0 0 333.171 3.199 10 5 EGBERN C[C@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000297886323 308570265 /nfs/dbraw/zinc/57/02/65/308570265.db2.gz VKSHCHCXNQZTLC-ZDUSSCGKSA-N 0 0 345.168 3.322 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000299624756 308681977 /nfs/dbraw/zinc/68/19/77/308681977.db2.gz KNSFDIIOWWVEOO-UHFFFAOYSA-N 0 0 341.367 3.017 10 5 EGBERN CCOc1ccccc1C1=CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301089660 308687867 /nfs/dbraw/zinc/68/78/67/308687867.db2.gz KHQGQYREOWWFDQ-UHFFFAOYSA-N 0 0 342.399 3.329 10 5 EGBERN Cc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000301246573 308693248 /nfs/dbraw/zinc/69/32/48/308693248.db2.gz AUUKYXVTITVIMY-UHFFFAOYSA-N 0 0 328.284 3.053 10 5 EGBERN C[C@@H]1[C@H](C)SCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301252320 308693568 /nfs/dbraw/zinc/69/35/68/308693568.db2.gz AGNJMWWUMHTSGB-OLZOCXBDSA-N 0 0 349.456 3.161 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CCOCC2)cc1 ZINC000301428137 308699964 /nfs/dbraw/zinc/69/99/64/308699964.db2.gz DRCXFRGCEDZJJX-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN CN(C[C@@H]1CCCO1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301499543 308702743 /nfs/dbraw/zinc/70/27/43/308702743.db2.gz DAXDCEIZZPETRU-VIFPVBQESA-N 0 0 349.265 3.137 10 5 EGBERN COc1cc(NCCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000301611642 308707330 /nfs/dbraw/zinc/70/73/30/308707330.db2.gz DXZARDBJCKWLLD-UHFFFAOYSA-N 0 0 333.319 3.183 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@]2(C)CCCS2)c([N+](=O)[O-])c1 ZINC000301664653 308709726 /nfs/dbraw/zinc/70/97/26/308709726.db2.gz ZJMLWVGIAJXKNI-BIENSFFJSA-N 0 0 336.413 3.479 10 5 EGBERN COC(=O)c1cc(N[C@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301693656 308711162 /nfs/dbraw/zinc/71/11/62/308711162.db2.gz LWXVEMZZBKEFTQ-ZDUSSCGKSA-N 0 0 334.372 3.285 10 5 EGBERN CCc1nc(CNc2ncc(Br)cc2[N+](=O)[O-])cs1 ZINC000301702831 308711650 /nfs/dbraw/zinc/71/16/50/308711650.db2.gz UITVFGDZOXVEDC-UHFFFAOYSA-N 0 0 343.206 3.383 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@H]2O)c1 ZINC000301764332 308714293 /nfs/dbraw/zinc/71/42/93/308714293.db2.gz NCSALEWWHDQASI-IAQYHMDHSA-N 0 0 326.368 3.486 10 5 EGBERN CCOc1cc(N[C@@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000301947391 308722674 /nfs/dbraw/zinc/72/26/74/308722674.db2.gz DDJIOHXWNNPAJT-NSHDSACASA-N 0 0 331.376 3.094 10 5 EGBERN Cc1cc([C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000301983768 308724090 /nfs/dbraw/zinc/72/40/90/308724090.db2.gz AVNZAADEDXPVIK-GOSISDBHSA-N 0 0 346.358 3.113 10 5 EGBERN Cc1ccc([C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c(C)c1 ZINC000302029966 308725937 /nfs/dbraw/zinc/72/59/37/308725937.db2.gz JOELDRVYBJXWFY-LJQANCHMSA-N 0 0 342.395 3.282 10 5 EGBERN CCOc1cccc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302150746 308730992 /nfs/dbraw/zinc/73/09/92/308730992.db2.gz LWZNHLMJXSLRLP-UHFFFAOYSA-N 0 0 327.384 3.320 10 5 EGBERN CN(C[C@@H]1CC=CCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000302202274 308733166 /nfs/dbraw/zinc/73/31/66/308733166.db2.gz ZROMGUCZOMJTJK-CYBMUJFWSA-N 0 0 329.400 3.280 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2nccs2)CC1 ZINC000302677826 308741671 /nfs/dbraw/zinc/74/16/71/308741671.db2.gz NNDCZLMJEXNVSW-UHFFFAOYSA-N 0 0 338.820 3.340 10 5 EGBERN O=C1[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302707348 308742664 /nfs/dbraw/zinc/74/26/64/308742664.db2.gz HFMZHUHUYALQQC-HNNXBMFYSA-N 0 0 347.321 3.086 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000323971035 308768871 /nfs/dbraw/zinc/76/88/71/308768871.db2.gz IIKVLQWYDKAKRA-UHFFFAOYSA-N 0 0 338.360 3.258 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330794528 308798848 /nfs/dbraw/zinc/79/88/48/308798848.db2.gz DRYSWXFBYNQMKJ-VIFPVBQESA-N 0 0 328.315 3.457 10 5 EGBERN Cc1ccc(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cn1 ZINC000363675954 308897557 /nfs/dbraw/zinc/89/75/57/308897557.db2.gz VDMMEKJUNHDFFO-UHFFFAOYSA-N 0 0 343.412 3.391 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000411186036 308930055 /nfs/dbraw/zinc/93/00/55/308930055.db2.gz PCIJKBKTHBTCMG-KWCYVHTRSA-N 0 0 342.317 3.499 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411187737 308930226 /nfs/dbraw/zinc/93/02/26/308930226.db2.gz LBBXFOYIYMTGGR-RDTXWAMCSA-N 0 0 343.358 3.008 10 5 EGBERN CC[C@@H](NC(=O)C[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000412170527 308972645 /nfs/dbraw/zinc/97/26/45/308972645.db2.gz SUEFBHWTFNZAPU-BLLLJJGKSA-N 0 0 330.388 3.089 10 5 EGBERN CCOc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000412765221 309001647 /nfs/dbraw/zinc/00/16/47/309001647.db2.gz AEWDLSZUVXHJGQ-NSHDSACASA-N 0 0 336.388 3.263 10 5 EGBERN Cc1nn(C)c(C)c1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413050485 309013427 /nfs/dbraw/zinc/01/34/27/309013427.db2.gz JWSXIEVLTZBLFP-UHFFFAOYSA-N 0 0 343.309 3.014 10 5 EGBERN O=[N+]([O-])c1cnc(NC[C@@H](O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000413121130 309017242 /nfs/dbraw/zinc/01/72/42/309017242.db2.gz FODNCMWJVAKMNO-LBPRGKRZSA-N 0 0 341.289 3.024 10 5 EGBERN CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000413153930 309018519 /nfs/dbraw/zinc/01/85/19/309018519.db2.gz IFYPKRGFKPGMFZ-UHFFFAOYSA-N 0 0 335.404 3.324 10 5 EGBERN O=[N+]([O-])c1cnc(NCC2(CO)CC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000413270288 309024389 /nfs/dbraw/zinc/02/43/89/309024389.db2.gz QPVGVGINLGUQMH-UHFFFAOYSA-N 0 0 345.321 3.363 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc(Br)cn2)cn1 ZINC000413382442 309029691 /nfs/dbraw/zinc/02/96/91/309029691.db2.gz WALYNMWRHVXPLW-CYBMUJFWSA-N 0 0 349.188 3.489 10 5 EGBERN Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000415621359 309138953 /nfs/dbraw/zinc/13/89/53/309138953.db2.gz JTHPWNXTLCFVCL-LSDHHAIUSA-N 0 0 338.367 3.313 10 5 EGBERN O=C(N[C@@H](CO)CC1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000416330354 309168954 /nfs/dbraw/zinc/16/89/54/309168954.db2.gz FEGSGBOKRDISQL-CYBMUJFWSA-N 0 0 345.399 3.137 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419029691 309259708 /nfs/dbraw/zinc/25/97/08/309259708.db2.gz RUWITIGZLGEQDF-ZDUSSCGKSA-N 0 0 348.790 3.394 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CSCc1cn(CC2CC2)nn1 ZINC000419565896 309269635 /nfs/dbraw/zinc/26/96/35/309269635.db2.gz FGBKVEWNXXZCIT-UHFFFAOYSA-N 0 0 334.401 3.038 10 5 EGBERN CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000420609533 309289967 /nfs/dbraw/zinc/28/99/67/309289967.db2.gz HQJYDBONKZBSBH-NSHDSACASA-N 0 0 345.321 3.109 10 5 EGBERN Cc1cc(C)cc([C@H]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)c1 ZINC000420608775 309290055 /nfs/dbraw/zinc/29/00/55/309290055.db2.gz FEVHKXKGVYJUNY-AWEZNQCLSA-N 0 0 339.395 3.304 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421422976 309324013 /nfs/dbraw/zinc/32/40/13/309324013.db2.gz PFFUFTCEVSBEQB-MGPQQGTHSA-N 0 0 340.383 3.464 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1c(C)nn(C)c1C ZINC000421496858 309327113 /nfs/dbraw/zinc/32/71/13/309327113.db2.gz GLYLQNTZJNDHCN-OAHLLOKOSA-N 0 0 344.415 3.443 10 5 EGBERN C[C@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000421546619 309329222 /nfs/dbraw/zinc/32/92/22/309329222.db2.gz WPBMJFLYLHUHAA-SNVBAGLBSA-N 0 0 335.104 3.341 10 5 EGBERN CO[C@@H](CSCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000424155490 309431186 /nfs/dbraw/zinc/43/11/86/309431186.db2.gz PSKNBRLJGMVTKK-AWEZNQCLSA-N 0 0 325.386 3.120 10 5 EGBERN CCOc1ccc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000424962542 309460439 /nfs/dbraw/zinc/46/04/39/309460439.db2.gz DFFQUFGPFLXPFE-WMZOPIPTSA-N 0 0 344.342 3.361 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000425024460 309462546 /nfs/dbraw/zinc/46/25/46/309462546.db2.gz YQKSAXVSFQNYFY-WMZOPIPTSA-N 0 0 328.343 3.281 10 5 EGBERN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448220 309480652 /nfs/dbraw/zinc/48/06/52/309480652.db2.gz RAUXJWAUZIJFHL-UWVGGRQHSA-N 0 0 343.221 3.091 10 5 EGBERN Cc1cccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1C ZINC000426721681 309513622 /nfs/dbraw/zinc/51/36/22/309513622.db2.gz CYCCWHIMAOFEBM-QGZVFWFLSA-N 0 0 328.368 3.436 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3OC(F)F)nc2c1 ZINC000427986373 309539873 /nfs/dbraw/zinc/53/98/73/309539873.db2.gz ZKTGVCVHHLWHCB-UHFFFAOYSA-N 0 0 334.282 3.107 10 5 EGBERN CCn1c(COc2ccc([N+](=O)[O-])c(CO)c2)nc2cc(F)ccc21 ZINC000428085265 309541881 /nfs/dbraw/zinc/54/18/81/309541881.db2.gz LEBWAPRMDPHONX-UHFFFAOYSA-N 0 0 345.330 3.175 10 5 EGBERN COc1ccc(F)cc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000428270861 309546211 /nfs/dbraw/zinc/54/62/11/309546211.db2.gz BHLCMJQCWJSELI-UHFFFAOYSA-N 0 0 343.314 3.154 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000429219453 309574087 /nfs/dbraw/zinc/57/40/87/309574087.db2.gz XZGSWOWMWAHVGX-LBPRGKRZSA-N 0 0 335.385 3.128 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnccc2-c2ccccc2)n1 ZINC000429224389 309574123 /nfs/dbraw/zinc/57/41/23/309574123.db2.gz BPBAKSXVGPUWTR-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429222991 309574161 /nfs/dbraw/zinc/57/41/61/309574161.db2.gz PXKLWSNNMCRWIB-LBPRGKRZSA-N 0 0 335.385 3.128 10 5 EGBERN CC(C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431482174 309633956 /nfs/dbraw/zinc/63/39/56/309633956.db2.gz FMOKLSXAJNOIAU-SNVBAGLBSA-N 0 0 341.205 3.475 10 5 EGBERN Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(C)C)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431941207 309647385 /nfs/dbraw/zinc/64/73/85/309647385.db2.gz WGLXHWWCPLUJMG-SWLSCSKDSA-N 0 0 333.388 3.273 10 5 EGBERN CN(Cc1nc(-c2cccnc2)no1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432312717 309656942 /nfs/dbraw/zinc/65/69/42/309656942.db2.gz KIZKKDCEOKEFAX-UHFFFAOYSA-N 0 0 345.746 3.330 10 5 EGBERN CCC(C)(CC)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432494380 309662200 /nfs/dbraw/zinc/66/22/00/309662200.db2.gz NFPZXUIGXFPGAP-UHFFFAOYSA-N 0 0 331.372 3.217 10 5 EGBERN Cc1c(CNc2ccc(C(N)=O)c(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000432700736 309666288 /nfs/dbraw/zinc/66/62/88/309666288.db2.gz VFZZIBXZOILWOC-UHFFFAOYSA-N 0 0 343.383 3.401 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000433815825 309697134 /nfs/dbraw/zinc/69/71/34/309697134.db2.gz QAQVBOFQLBZKPR-SECBINFHSA-N 0 0 332.278 3.160 10 5 EGBERN COc1ccc(C(=O)N(C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000433991161 309702005 /nfs/dbraw/zinc/70/20/05/309702005.db2.gz UOSNYVVGTITZOE-UHFFFAOYSA-N 0 0 328.368 3.492 10 5 EGBERN Cc1c(NC(=O)NC[C@@H]2C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327979 309728979 /nfs/dbraw/zinc/72/89/79/309728979.db2.gz JRCINFFEZOJMHL-APPZFPTMSA-N 0 0 342.193 3.443 10 5 EGBERN COc1ccccc1[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435641054 309737048 /nfs/dbraw/zinc/73/70/48/309737048.db2.gz GKURKLZJLFZQJZ-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN COc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1O ZINC000438082867 309806152 /nfs/dbraw/zinc/80/61/52/309806152.db2.gz WFKUKQNZJXAILW-UHFFFAOYSA-N 0 0 327.296 3.043 10 5 EGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438143135 309807908 /nfs/dbraw/zinc/80/79/08/309807908.db2.gz UIPMDUGMBKBBRM-PEBVRCNWSA-N 0 0 326.352 3.278 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@H]4CCOC4)C3)ccc2c1 ZINC000439081683 309825944 /nfs/dbraw/zinc/82/59/44/309825944.db2.gz XNCGTXHRDNHFFC-GJZGRUSLSA-N 0 0 327.384 3.396 10 5 EGBERN Cn1cc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000444092175 309913252 /nfs/dbraw/zinc/91/32/52/309913252.db2.gz ZTMIYKALMOMRPE-SNVBAGLBSA-N 0 0 334.405 3.237 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@H](c4cccs4)C3)nc2c1 ZINC000444651923 309924156 /nfs/dbraw/zinc/92/41/56/309924156.db2.gz IJPSCAMKJHKIOI-AWEZNQCLSA-N 0 0 344.396 3.106 10 5 EGBERN COc1cc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1 ZINC000447670446 309985507 /nfs/dbraw/zinc/98/55/07/309985507.db2.gz JHLFHWOYPJDYLH-UHFFFAOYSA-N 0 0 342.355 3.125 10 5 EGBERN COc1ccc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000447690322 309985800 /nfs/dbraw/zinc/98/58/00/309985800.db2.gz CKWYDRRBRHWAOP-UHFFFAOYSA-N 0 0 326.356 3.425 10 5 EGBERN CC[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000448612718 310008928 /nfs/dbraw/zinc/00/89/28/310008928.db2.gz RZVUANWJMOBMMX-BPLDGKMQSA-N 0 0 348.399 3.140 10 5 EGBERN C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000449793454 310087602 /nfs/dbraw/zinc/08/76/02/310087602.db2.gz WWYDLHZZDORARC-NWDGAFQWSA-N 0 0 326.352 3.409 10 5 EGBERN CC[C@@H](NC(=O)c1cc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000450052143 310100746 /nfs/dbraw/zinc/10/07/46/310100746.db2.gz KMELJHKWMWRUAL-OAHLLOKOSA-N 0 0 328.372 3.009 10 5 EGBERN O=[N+]([O-])c1ccc2c(ccnc2NCc2ccn(C3CCCC3)n2)c1 ZINC000450387061 310119621 /nfs/dbraw/zinc/11/96/21/310119621.db2.gz FUECOAHMYBJPTL-UHFFFAOYSA-N 0 0 337.383 3.489 10 5 EGBERN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1ccc([N+](=O)[O-])nc1 ZINC000450494971 310126282 /nfs/dbraw/zinc/12/62/82/310126282.db2.gz QMGHONJOOSQZPY-CQSZACIVSA-N 0 0 332.381 3.175 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCCc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000450551666 310129642 /nfs/dbraw/zinc/12/96/42/310129642.db2.gz GHILWARFMONIGA-AWEZNQCLSA-N 0 0 345.330 3.405 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450652588 310135219 /nfs/dbraw/zinc/13/52/19/310135219.db2.gz GDLRZGKTZSATBK-SJLPKXTDSA-N 0 0 330.359 3.208 10 5 EGBERN COc1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000450679064 310136771 /nfs/dbraw/zinc/13/67/71/310136771.db2.gz IXWPNGFETVSCTD-GHJWDPDVSA-N 0 0 338.379 3.262 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451114712 310161206 /nfs/dbraw/zinc/16/12/06/310161206.db2.gz DYKRCMKCVXYWOH-MGPQQGTHSA-N 0 0 332.400 3.451 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000451352326 310173610 /nfs/dbraw/zinc/17/36/10/310173610.db2.gz KQZKXTVATXFJFR-JCURWCKSSA-N 0 0 340.370 3.389 10 5 EGBERN COc1cc(C(=O)N2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000451847758 310200115 /nfs/dbraw/zinc/20/01/15/310200115.db2.gz HKIYDMNNMJJXIK-UHFFFAOYSA-N 0 0 336.363 3.395 10 5 EGBERN O=C(NCCCC1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000452209426 310218712 /nfs/dbraw/zinc/21/87/12/310218712.db2.gz PQRSMOBAEQYNFE-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](F)C3)cc2[N+](=O)[O-])C1 ZINC000452363678 310224863 /nfs/dbraw/zinc/22/48/63/310224863.db2.gz CQSSPLIHHMDILR-OCCSQVGLSA-N 0 0 335.379 3.015 10 5 EGBERN CC[C@@H](C)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OC ZINC000452798398 310242421 /nfs/dbraw/zinc/24/24/21/310242421.db2.gz AIHAQBFVQVTQOL-SKDRFNHKSA-N 0 0 348.321 3.405 10 5 EGBERN C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000452831925 310244311 /nfs/dbraw/zinc/24/43/11/310244311.db2.gz AHFOVRVHGRTEMR-RHSMWYFYSA-N 0 0 346.427 3.364 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000452861542 310246204 /nfs/dbraw/zinc/24/62/04/310246204.db2.gz YHKXSCASCWSTDI-RDJZCZTQSA-N 0 0 334.416 3.095 10 5 EGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000452883394 310247235 /nfs/dbraw/zinc/24/72/35/310247235.db2.gz KYPYAZFIRPFOMW-SJCJKPOMSA-N 0 0 345.399 3.257 10 5 EGBERN CC[C@@H]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000453004444 310252582 /nfs/dbraw/zinc/25/25/82/310252582.db2.gz SZMOXXBAGWOORY-MNOVXSKESA-N 0 0 326.343 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCOCC3)n2)c2c1NCCC2 ZINC000453232663 310265677 /nfs/dbraw/zinc/26/56/77/310265677.db2.gz HATGJSBIJLBUKD-NSHDSACASA-N 0 0 344.371 3.287 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000454146726 310294482 /nfs/dbraw/zinc/29/44/82/310294482.db2.gz MFKLXUGTTJIWCH-UXLLHSPISA-N 0 0 347.415 3.451 10 5 EGBERN C[C@@]12CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000454305577 310302536 /nfs/dbraw/zinc/30/25/36/310302536.db2.gz SELZHIDWCIIDGQ-PCUPFXIVSA-N 0 0 331.347 3.410 10 5 EGBERN CCc1ncc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000454598118 310319186 /nfs/dbraw/zinc/31/91/86/310319186.db2.gz FRNSCOPIMIKQHH-LLVKDONJSA-N 0 0 332.360 3.014 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454849008 310332522 /nfs/dbraw/zinc/33/25/22/310332522.db2.gz QOSQCYVQDVWPMZ-ZMSDIMECSA-N 0 0 347.415 3.051 10 5 EGBERN CC[C@@H](NC(=O)NCC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000455551321 310366301 /nfs/dbraw/zinc/36/63/01/310366301.db2.gz ZQAYUXWLULNAFB-CQSZACIVSA-N 0 0 337.420 3.142 10 5 EGBERN CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000455551320 310366331 /nfs/dbraw/zinc/36/63/31/310366331.db2.gz ZQAYUXWLULNAFB-AWEZNQCLSA-N 0 0 337.420 3.142 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000456098119 310388442 /nfs/dbraw/zinc/38/84/42/310388442.db2.gz YJLWBAZMQJQKSE-WCBMZHEXSA-N 0 0 331.294 3.101 10 5 EGBERN CC(C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000456150768 310390757 /nfs/dbraw/zinc/39/07/57/310390757.db2.gz UDNBVXFBSXTCHF-UHFFFAOYSA-N 0 0 328.372 3.089 10 5 EGBERN COc1cc(C(=O)NC2CCC(C(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000458143860 310488129 /nfs/dbraw/zinc/48/81/29/310488129.db2.gz ARKZUXZDQIRAIN-UHFFFAOYSA-N 0 0 346.305 3.296 10 5 EGBERN CO[C@H](Cc1ccccc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000459984881 310578663 /nfs/dbraw/zinc/57/86/63/310578663.db2.gz IUBHRDDIBUVPIP-SCLBCKFNSA-N 0 0 340.379 3.130 10 5 EGBERN C[C@@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000466993325 310665864 /nfs/dbraw/zinc/66/58/64/310665864.db2.gz XVWZBUBMZDRYPH-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN COc1ccc(C)nc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000471702287 310743068 /nfs/dbraw/zinc/74/30/68/310743068.db2.gz NDHVBUSKAJJDTP-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(c2ccccc2)CC1 ZINC000473508055 310775966 /nfs/dbraw/zinc/77/59/66/310775966.db2.gz NMVFHZOYNHDSMJ-UHFFFAOYSA-N 0 0 334.379 3.470 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000474397423 310792636 /nfs/dbraw/zinc/79/26/36/310792636.db2.gz ZENYWNHFWZCTPW-GMTAPVOTSA-N 0 0 346.836 3.303 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000476775526 310834414 /nfs/dbraw/zinc/83/44/14/310834414.db2.gz PMAVZTOVWKJGQN-UHFFFAOYSA-N 0 0 342.330 3.210 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000480557688 310896519 /nfs/dbraw/zinc/89/65/19/310896519.db2.gz SVVMMJCFARRDNT-WCBMZHEXSA-N 0 0 332.278 3.159 10 5 EGBERN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000480693204 310899456 /nfs/dbraw/zinc/89/94/56/310899456.db2.gz LDUJHFKUXHIETB-CYBMUJFWSA-N 0 0 346.408 3.477 10 5 EGBERN C[C@](O)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000481348120 310911325 /nfs/dbraw/zinc/91/13/25/310911325.db2.gz PZEKJLZWFRANAK-INIZCTEOSA-N 0 0 340.807 3.309 10 5 EGBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000487140672 311012273 /nfs/dbraw/zinc/01/22/73/311012273.db2.gz GGCWCMRPGPUZQY-OSAQELSMSA-N 0 0 347.415 3.193 10 5 EGBERN Cc1cccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1[N+](=O)[O-] ZINC000487148885 311012379 /nfs/dbraw/zinc/01/23/79/311012379.db2.gz HRQGHMOBERWBFS-UHFFFAOYSA-N 0 0 337.335 3.007 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000487455801 311024351 /nfs/dbraw/zinc/02/43/51/311024351.db2.gz PIGFBPQDIQJVOD-HNNXBMFYSA-N 0 0 342.395 3.372 10 5 EGBERN CC(C)OC(=O)CC[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487714555 311034892 /nfs/dbraw/zinc/03/48/92/311034892.db2.gz AMUWVAGLHMICNC-GFCCVEGCSA-N 0 0 331.372 3.097 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(OC(F)F)cn1 ZINC000487762572 311036913 /nfs/dbraw/zinc/03/69/13/311036913.db2.gz ZSQAGFLMVIXJFO-UHFFFAOYSA-N 0 0 346.293 3.173 10 5 EGBERN O=C1CCN1c1cccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000487764586 311037006 /nfs/dbraw/zinc/03/70/06/311037006.db2.gz VPIDNAYGMATGHB-UHFFFAOYSA-N 0 0 334.335 3.045 10 5 EGBERN CC(C)[C@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487841219 311039574 /nfs/dbraw/zinc/03/95/74/311039574.db2.gz RCWKVHXLHPCLLB-LLVKDONJSA-N 0 0 327.812 3.382 10 5 EGBERN COc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc1F ZINC000487912315 311042460 /nfs/dbraw/zinc/04/24/60/311042460.db2.gz IZHKOWLSKZTLMY-UHFFFAOYSA-N 0 0 327.315 3.325 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000488738255 311077591 /nfs/dbraw/zinc/07/75/91/311077591.db2.gz JGKMUPCNNLEBNA-CQSZACIVSA-N 0 0 340.445 3.493 10 5 EGBERN COc1cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc([N+](=O)[O-])c1C ZINC000488939379 311085593 /nfs/dbraw/zinc/08/55/93/311085593.db2.gz IZUKRKZZRXODHU-UHFFFAOYSA-N 0 0 344.302 3.180 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)c(F)c3C2)c1 ZINC000488958227 311086787 /nfs/dbraw/zinc/08/67/87/311086787.db2.gz VQVPENCCSYFXNH-UHFFFAOYSA-N 0 0 332.306 3.380 10 5 EGBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(O)cc1 ZINC000493382391 311368533 /nfs/dbraw/zinc/36/85/33/311368533.db2.gz IFNAXVFXIGZPHN-MRXNPFEDSA-N 0 0 330.340 3.243 10 5 EGBERN COc1cccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000494301529 311469129 /nfs/dbraw/zinc/46/91/29/311469129.db2.gz PLYGAEJITBQLGQ-CYBMUJFWSA-N 0 0 328.368 3.273 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C2CC2)cc1 ZINC000499588458 311908483 /nfs/dbraw/zinc/90/84/83/311908483.db2.gz HOCHAOUTNACGGC-LBPRGKRZSA-N 0 0 343.383 3.387 10 5 EGBERN CCOC(=O)c1cc(C(=O)N[C@@H](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000505143178 312016117 /nfs/dbraw/zinc/01/61/17/312016117.db2.gz VKMOJUSAZUFTFA-NSHDSACASA-N 0 0 334.372 3.080 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000513724026 312216366 /nfs/dbraw/zinc/21/63/66/312216366.db2.gz INFMPUYEWNZSOG-UHFFFAOYSA-N 0 0 334.278 3.399 10 5 EGBERN C[C@H]1CCC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514628030 312235076 /nfs/dbraw/zinc/23/50/76/312235076.db2.gz YRFFNAFWARJXCJ-QWRGUYRKSA-N 0 0 326.343 3.453 10 5 EGBERN CCOc1cccc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000517065029 312361647 /nfs/dbraw/zinc/36/16/47/312361647.db2.gz AZBCFYKZBNRRHG-CQSZACIVSA-N 0 0 342.395 3.456 10 5 EGBERN C[C@@H](O)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000519704877 312472691 /nfs/dbraw/zinc/47/26/91/312472691.db2.gz JVBGXKIWVHVJBG-XWCIJXRUSA-N 0 0 346.358 3.076 10 5 EGBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525038098 312692839 /nfs/dbraw/zinc/69/28/39/312692839.db2.gz RMNVWVSBEPFDBC-IEBWSBKVSA-N 0 0 340.379 3.372 10 5 EGBERN CC(C)(C)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000530415134 313533054 /nfs/dbraw/zinc/53/30/54/313533054.db2.gz OYYHMXZPXHXQTO-UHFFFAOYSA-N 0 0 334.372 3.222 10 5 EGBERN COC(=O)c1cc(NCc2ccc3c(c2)CCO3)cc(C)c1[N+](=O)[O-] ZINC000531881954 313725545 /nfs/dbraw/zinc/72/55/45/313725545.db2.gz RGLVFURVEIMLNP-UHFFFAOYSA-N 0 0 342.351 3.237 10 5 EGBERN O=C(Nc1c(F)cccc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000531890269 313727002 /nfs/dbraw/zinc/72/70/02/313727002.db2.gz CVBGAFGGBHVQKV-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000532137111 313759358 /nfs/dbraw/zinc/75/93/58/313759358.db2.gz KBZQLWGPZLBJFV-UHFFFAOYSA-N 0 0 343.730 3.081 10 5 EGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OCC(F)F ZINC000532397647 313794110 /nfs/dbraw/zinc/79/41/10/313794110.db2.gz MYSFDDHGMQJMOJ-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN CC(C)CCC[C@@H](C)NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248726 314034656 /nfs/dbraw/zinc/03/46/56/314034656.db2.gz YIKLESIYJJXZHH-OAHLLOKOSA-N 0 0 347.459 3.284 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000539500631 314317975 /nfs/dbraw/zinc/31/79/75/314317975.db2.gz NTXBOPCIBSNLSF-UHFFFAOYSA-N 0 0 346.358 3.470 10 5 EGBERN COc1ccc(O[C@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000541933321 314506151 /nfs/dbraw/zinc/50/61/51/314506151.db2.gz MTTBQDKQVFQBBJ-CYBMUJFWSA-N 0 0 331.372 3.495 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000542837674 314587118 /nfs/dbraw/zinc/58/71/18/314587118.db2.gz RMEWIAACALTPNT-GJZGRUSLSA-N 0 0 340.383 3.260 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000542837675 314587125 /nfs/dbraw/zinc/58/71/25/314587125.db2.gz RMEWIAACALTPNT-HUUCEWRRSA-N 0 0 340.383 3.260 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ccc(F)c(F)c3C2)c1 ZINC000542972417 314596671 /nfs/dbraw/zinc/59/66/71/314596671.db2.gz OSQFOXCDQHBETQ-UHFFFAOYSA-N 0 0 348.305 3.222 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000545604603 314771903 /nfs/dbraw/zinc/77/19/03/314771903.db2.gz NXENAFDICZCYCW-UHFFFAOYSA-N 0 0 339.307 3.273 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1 ZINC000547109974 314875188 /nfs/dbraw/zinc/87/51/88/314875188.db2.gz RWBSKDIEYFQBKR-UHFFFAOYSA-N 0 0 333.307 3.498 10 5 EGBERN CNc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000548494892 315017309 /nfs/dbraw/zinc/01/73/09/315017309.db2.gz BEKZASIRCIWNNC-ONGXEEELSA-N 0 0 345.321 3.440 10 5 EGBERN C[C@@H]1c2ccccc2CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548751391 315042679 /nfs/dbraw/zinc/04/26/79/315042679.db2.gz IMTHVSWZJVPJMY-CYBMUJFWSA-N 0 0 325.368 3.424 10 5 EGBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000549365248 315088505 /nfs/dbraw/zinc/08/85/05/315088505.db2.gz XRYSSEBZNFTAPP-ZDUSSCGKSA-N 0 0 334.763 3.339 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)C2CN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000552745500 315230806 /nfs/dbraw/zinc/23/08/06/315230806.db2.gz QSJYAURRUMPPMK-UHFFFAOYSA-N 0 0 341.358 3.028 10 5 EGBERN COC(=O)c1cc(C)nc(NCc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000553502020 315267468 /nfs/dbraw/zinc/26/74/68/315267468.db2.gz NPLLECSALGFDDM-UHFFFAOYSA-N 0 0 349.774 3.081 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000555261829 315376145 /nfs/dbraw/zinc/37/61/45/315376145.db2.gz BUGMPBKXNNKOCD-YUELXQCFSA-N 0 0 336.779 3.275 10 5 EGBERN C[C@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000557534112 315516771 /nfs/dbraw/zinc/51/67/71/315516771.db2.gz HTICZBOTCZALJA-GFCCVEGCSA-N 0 0 338.367 3.271 10 5 EGBERN COC(=O)c1cc(C)nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000561268488 315753152 /nfs/dbraw/zinc/75/31/52/315753152.db2.gz NBOGSIFPTPHPPH-ZKYQVNSYSA-N 0 0 333.388 3.100 10 5 EGBERN COC(=O)c1cc(C)nc(Nc2ccc3scnc3c2)c1[N+](=O)[O-] ZINC000561341343 315757921 /nfs/dbraw/zinc/75/79/21/315757921.db2.gz INKABGDIUWGSBX-UHFFFAOYSA-N 0 0 344.352 3.438 10 5 EGBERN CN(CCOCC1CC1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000562902352 315918544 /nfs/dbraw/zinc/91/85/44/315918544.db2.gz UWLGTPGAJNYSBY-UHFFFAOYSA-N 0 0 346.305 3.112 10 5 EGBERN C[C@@H](Cc1ccccc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000563263501 315987212 /nfs/dbraw/zinc/98/72/12/315987212.db2.gz YODBJBYWCMRPNV-AWEZNQCLSA-N 0 0 327.384 3.002 10 5 EGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CCOCC1 ZINC000564128880 316115998 /nfs/dbraw/zinc/11/59/98/316115998.db2.gz CYAVRSHBTCRFKH-SECBINFHSA-N 0 0 346.305 3.159 10 5 EGBERN CC(C)Oc1nc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000565226348 316295317 /nfs/dbraw/zinc/29/53/17/316295317.db2.gz JYYANZLLEHKOCD-SQWLQELKSA-N 0 0 349.431 3.297 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000567412463 316613954 /nfs/dbraw/zinc/61/39/54/316613954.db2.gz BVBQLVCWILNZSN-CHWSQXEVSA-N 0 0 344.415 3.306 10 5 EGBERN C[C@@H]1CC[C@@H](C)N1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570331130 317040678 /nfs/dbraw/zinc/04/06/78/317040678.db2.gz DNNSSYKUHVDHQU-VXGBXAGGSA-N 0 0 330.388 3.201 10 5 EGBERN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000571418293 317197324 /nfs/dbraw/zinc/19/73/24/317197324.db2.gz JXHJXKCBCMOKIP-WDEREUQCSA-N 0 0 334.401 3.119 10 5 EGBERN CC(C)[C@H]1C[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000571851976 317255972 /nfs/dbraw/zinc/25/59/72/317255972.db2.gz VAPHRLASZDTKHN-MEDUHNTESA-N 0 0 346.387 3.107 10 5 EGBERN C[C@@H]1CCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572557005 317355659 /nfs/dbraw/zinc/35/56/59/317355659.db2.gz DSQYBGIBILYORS-ABAIWWIYSA-N 0 0 330.388 3.106 10 5 EGBERN CCOc1cc(CNc2cc(Cl)ccc2C(N)=O)ccc1[N+](=O)[O-] ZINC000572816080 317395012 /nfs/dbraw/zinc/39/50/12/317395012.db2.gz DSQDTRBHVBTYLG-UHFFFAOYSA-N 0 0 349.774 3.358 10 5 EGBERN C[C@H]1CCCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573520036 317495709 /nfs/dbraw/zinc/49/57/09/317495709.db2.gz OCEGKRBAGVDQPT-LRDDRELGSA-N 0 0 344.415 3.497 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC000574171632 317569195 /nfs/dbraw/zinc/56/91/95/317569195.db2.gz OJHZJNZUBAARIG-OAHLLOKOSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1cc(NC2CCC(O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000235852753 456154721 /nfs/dbraw/zinc/15/47/21/456154721.db2.gz MOXKKCVSLKLJJL-UHFFFAOYSA-N 0 0 329.194 3.381 10 5 EGBERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708899 323247660 /nfs/dbraw/zinc/24/76/60/323247660.db2.gz YSBFVFKXASWQTC-HNNXBMFYSA-N 0 0 335.404 3.086 10 5 EGBERN CCc1n[nH]c(C(=O)NCCc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000171778603 323251490 /nfs/dbraw/zinc/25/14/90/323251490.db2.gz HBIGSONHMTYYCH-UHFFFAOYSA-N 0 0 338.367 3.006 10 5 EGBERN C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000175974798 323324484 /nfs/dbraw/zinc/32/44/84/323324484.db2.gz ODAKFGFONKGBMU-NSHDSACASA-N 0 0 349.337 3.476 10 5 EGBERN Cc1csc([C@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183707163 323628375 /nfs/dbraw/zinc/62/83/75/323628375.db2.gz HUHWJSCDXKJDKO-ZJUUUORDSA-N 0 0 337.376 3.480 10 5 EGBERN C[C@H]1COCC[C@@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000350598102 324101185 /nfs/dbraw/zinc/10/11/85/324101185.db2.gz BDUGLXVDTWMKRC-GWCFXTLKSA-N 0 0 342.355 3.190 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000576847362 324693962 /nfs/dbraw/zinc/69/39/62/324693962.db2.gz VKGSKMSBAXZTJA-LBPRGKRZSA-N 0 0 335.404 3.347 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000577699886 324849567 /nfs/dbraw/zinc/84/95/67/324849567.db2.gz YZMYVUKMIJWFMC-IINYFYTJSA-N 0 0 335.722 3.068 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](O)CC12CCC2 ZINC000579461100 325113017 /nfs/dbraw/zinc/11/30/17/325113017.db2.gz GZIPCSOWOGAPDY-ZDUSSCGKSA-N 0 0 346.408 3.329 10 5 EGBERN Cc1cc(S(=O)(=O)NC2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000579620575 325137131 /nfs/dbraw/zinc/13/71/31/325137131.db2.gz RCWSOFQDRDIYSJ-UHFFFAOYSA-N 0 0 326.418 3.006 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCCN4c5ccccc5C[C@@H]4C3)nc2c1 ZINC000579657808 325139463 /nfs/dbraw/zinc/13/94/63/325139463.db2.gz LBWXAQZPABHZSR-OAHLLOKOSA-N 0 0 349.394 3.113 10 5 EGBERN COc1cc(N2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1F ZINC000580416070 325247501 /nfs/dbraw/zinc/24/75/01/325247501.db2.gz VFEPLFXOBZSDGT-UHFFFAOYSA-N 0 0 332.331 3.450 10 5 EGBERN CC(C)Oc1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000580902245 325308070 /nfs/dbraw/zinc/30/80/70/325308070.db2.gz GODZQDGRHVJFDA-UONOGXRCSA-N 0 0 335.404 3.030 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCCC1 ZINC000581104490 325329929 /nfs/dbraw/zinc/32/99/29/325329929.db2.gz ZEBBGHIWOAWWPY-UHFFFAOYSA-N 0 0 330.388 3.204 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2OC(C)C)n1 ZINC000581346544 325353232 /nfs/dbraw/zinc/35/32/32/325353232.db2.gz BCLGSQQEIADKHR-GFCCVEGCSA-N 0 0 346.387 3.089 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000582193731 325421642 /nfs/dbraw/zinc/42/16/42/325421642.db2.gz ZEAJWJZQQJPAOX-GOSISDBHSA-N 0 0 343.358 3.375 10 5 EGBERN CS[C@@H](C)CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582509732 325447056 /nfs/dbraw/zinc/44/70/56/325447056.db2.gz DLLDMMZFFKWFML-NSHDSACASA-N 0 0 335.429 3.267 10 5 EGBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(C)c1 ZINC000189595496 455221843 /nfs/dbraw/zinc/22/18/43/455221843.db2.gz QDXFWSCVUHFVNZ-KRWDZBQOSA-N 0 0 346.358 3.355 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@@H](c3cccs3)C2)c1 ZINC000157871841 455242276 /nfs/dbraw/zinc/24/22/76/455242276.db2.gz WXTHODLGDSTAHF-OAHLLOKOSA-N 0 0 334.397 3.109 10 5 EGBERN Cc1c(CNC(=O)NCC(F)(F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595588080 459356731 /nfs/dbraw/zinc/35/67/31/459356731.db2.gz PGGXPZKZUQUWKS-UHFFFAOYSA-N 0 0 329.347 3.384 10 5 EGBERN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158017646 455259986 /nfs/dbraw/zinc/25/99/86/455259986.db2.gz XLSWEIBFVVGEBJ-MRXNPFEDSA-N 0 0 348.424 3.499 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000600679746 460566449 /nfs/dbraw/zinc/56/64/49/460566449.db2.gz AHFFRZIXWPOVAZ-UHFFFAOYSA-N 0 0 325.340 3.155 10 5 EGBERN CCn1ccc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000616484853 460568298 /nfs/dbraw/zinc/56/82/98/460568298.db2.gz SIDSEIADWISLIQ-UHFFFAOYSA-N 0 0 326.356 3.170 10 5 EGBERN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](CCc1ccccc1)C(F)F ZINC000600700779 460572262 /nfs/dbraw/zinc/57/22/62/460572262.db2.gz NSBHGAOBPJYADB-CQSZACIVSA-N 0 0 337.326 3.261 10 5 EGBERN COc1cccc(OC)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005462859 452876850 /nfs/dbraw/zinc/87/68/50/452876850.db2.gz WYHLFSLVOSPXSG-UHFFFAOYSA-N 0 0 337.715 3.485 10 5 EGBERN O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005488311 452879022 /nfs/dbraw/zinc/87/90/22/452879022.db2.gz SSHWJIMBIKDAQF-UHFFFAOYSA-N 0 0 339.395 3.128 10 5 EGBERN Cc1nc2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000008110269 453164146 /nfs/dbraw/zinc/16/41/46/453164146.db2.gz ZPJRKNWOTYAGHU-UHFFFAOYSA-N 0 0 347.352 3.154 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(Cc2cccs2)C1 ZINC000600759262 460593955 /nfs/dbraw/zinc/59/39/55/460593955.db2.gz DRESFKMFHWHDSC-UHFFFAOYSA-N 0 0 330.409 3.290 10 5 EGBERN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccccc1-c1ccccc1 ZINC000012823301 453413137 /nfs/dbraw/zinc/41/31/37/453413137.db2.gz LCRBNQVRUICCFW-UHFFFAOYSA-N 0 0 336.351 3.487 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000016174046 453597028 /nfs/dbraw/zinc/59/70/28/453597028.db2.gz QKXLRGKQTHYGFB-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN Cc1ccc(OCCN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000016966475 453625361 /nfs/dbraw/zinc/62/53/61/453625361.db2.gz CHBAVHFCTAKDAV-UHFFFAOYSA-N 0 0 328.368 3.363 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600808536 460612037 /nfs/dbraw/zinc/61/20/37/460612037.db2.gz LYFMJZSCAMTBKO-DLGQBQFBSA-N 0 0 332.356 3.142 10 5 EGBERN C/C=C/C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600807884 460612216 /nfs/dbraw/zinc/61/22/16/460612216.db2.gz WZGAUZVPSZVGFZ-IHVVCDCBSA-N 0 0 348.399 3.430 10 5 EGBERN C/C=C\C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600812263 460613203 /nfs/dbraw/zinc/61/32/03/460613203.db2.gz UXMIRCVZTRRRNF-ZRMMWKCHSA-N 0 0 346.383 3.184 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000024469279 453734788 /nfs/dbraw/zinc/73/47/88/453734788.db2.gz ITXQYELSHQDMJT-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN Cc1sc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000027843658 453820779 /nfs/dbraw/zinc/82/07/79/453820779.db2.gz KDUZVHAFNQELBD-CYBMUJFWSA-N 0 0 345.424 3.221 10 5 EGBERN Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483423 453829368 /nfs/dbraw/zinc/82/93/68/453829368.db2.gz CQANVOMCUPHANU-KRWDZBQOSA-N 0 0 339.395 3.461 10 5 EGBERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000030270422 453834713 /nfs/dbraw/zinc/83/47/13/453834713.db2.gz ZGQOAPHOEMPNRK-SECBINFHSA-N 0 0 347.396 3.414 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000052712169 453842474 /nfs/dbraw/zinc/84/24/74/453842474.db2.gz BCJXBPKFKJFFPT-NSHDSACASA-N 0 0 345.355 3.495 10 5 EGBERN O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000032027847 453861932 /nfs/dbraw/zinc/86/19/32/453861932.db2.gz DDHJTGJROAQZQF-UHFFFAOYSA-N 0 0 336.307 3.429 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066712923 453865846 /nfs/dbraw/zinc/86/58/46/453865846.db2.gz OPQVDXAVFZMNID-CXAGYDPISA-N 0 0 326.352 3.197 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000032448928 453873449 /nfs/dbraw/zinc/87/34/49/453873449.db2.gz LBHYCZGQJXMXTB-UHFFFAOYSA-N 0 0 345.380 3.109 10 5 EGBERN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000032475857 453874612 /nfs/dbraw/zinc/87/46/12/453874612.db2.gz MPZUSCIHFVWSGG-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047142 453897079 /nfs/dbraw/zinc/89/70/79/453897079.db2.gz RGXDGXNCYFZJIG-LBPRGKRZSA-N 0 0 331.397 3.380 10 5 EGBERN CCCn1nccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000075598501 453909193 /nfs/dbraw/zinc/90/91/93/453909193.db2.gz KSUXUKLCPBHCOD-NSHDSACASA-N 0 0 334.401 3.321 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCOCC3)cc2)s1 ZINC000054389584 453927400 /nfs/dbraw/zinc/92/74/00/453927400.db2.gz KVPNBWOQRGACQI-UHFFFAOYSA-N 0 0 333.413 3.101 10 5 EGBERN Cc1sc(C(=O)NCCCOCCc2ccccc2)cc1[N+](=O)[O-] ZINC000054594124 453937599 /nfs/dbraw/zinc/93/75/99/453937599.db2.gz PTJZLONRSHFQBS-UHFFFAOYSA-N 0 0 348.424 3.344 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067513896 453937924 /nfs/dbraw/zinc/93/79/24/453937924.db2.gz LGKKBTNKIUSXLN-GDBMZVCRSA-N 0 0 325.368 3.069 10 5 EGBERN C[C@H]1c2ccsc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536277 453940470 /nfs/dbraw/zinc/94/04/70/453940470.db2.gz YFLZIZLTLRPJTM-NSHDSACASA-N 0 0 331.397 3.485 10 5 EGBERN Cc1csc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000067861817 453973532 /nfs/dbraw/zinc/97/35/32/453973532.db2.gz KVJKPEQEFXTKCM-LLVKDONJSA-N 0 0 334.401 3.039 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCc2cc(Cl)ccc21 ZINC000055732963 454010255 /nfs/dbraw/zinc/01/02/55/454010255.db2.gz WPWRBCPFEBZWDU-AWEZNQCLSA-N 0 0 346.770 3.431 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)cc1F ZINC000087142084 454065850 /nfs/dbraw/zinc/06/58/50/454065850.db2.gz YVBKRLGNSSNDRG-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077330181 454092600 /nfs/dbraw/zinc/09/26/00/454092600.db2.gz VLYBEXKBQJWHAA-HNNXBMFYSA-N 0 0 340.335 3.301 10 5 EGBERN CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000057095053 454102762 /nfs/dbraw/zinc/10/27/62/454102762.db2.gz KLLQTBGAWUKKKY-GFCCVEGCSA-N 0 0 348.428 3.415 10 5 EGBERN CC(C)c1csc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000044653256 454112167 /nfs/dbraw/zinc/11/21/67/454112167.db2.gz CXYIJDYXPLHXKT-UHFFFAOYSA-N 0 0 331.357 3.303 10 5 EGBERN Cn1cccc1-c1csc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000069529976 454116823 /nfs/dbraw/zinc/11/68/23/454116823.db2.gz ZDDGBZGDUMYJHC-UHFFFAOYSA-N 0 0 346.343 3.448 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184554552 455401921 /nfs/dbraw/zinc/40/19/21/455401921.db2.gz OFTBAFRPPBVMGA-SECBINFHSA-N 0 0 347.400 3.100 10 5 EGBERN CCc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C)o1 ZINC000069708659 454135941 /nfs/dbraw/zinc/13/59/41/454135941.db2.gz VMDHOPFCRHUWBR-MRXNPFEDSA-N 0 0 348.403 3.159 10 5 EGBERN CCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000057812440 454148867 /nfs/dbraw/zinc/14/88/67/454148867.db2.gz IRIDGNRVDQIADU-UHFFFAOYSA-N 0 0 334.294 3.297 10 5 EGBERN CCc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n[nH]1 ZINC000069930495 454158850 /nfs/dbraw/zinc/15/88/50/454158850.db2.gz YGWVALBGBRCDMA-UHFFFAOYSA-N 0 0 326.356 3.430 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])c1cnc(N2CCCCC2)s1 ZINC000071063443 454198375 /nfs/dbraw/zinc/19/83/75/454198375.db2.gz KLPSRWXWJZLTNL-UHFFFAOYSA-N 0 0 347.396 3.303 10 5 EGBERN O=[N+]([O-])c1ccc(CN(Cc2nc(-c3ccoc3)no2)C2CC2)cc1 ZINC000130723669 454214284 /nfs/dbraw/zinc/21/42/84/454214284.db2.gz MSWBYVRDGLHEHV-UHFFFAOYSA-N 0 0 340.339 3.402 10 5 EGBERN CN(C)c1ncccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046289275 454237715 /nfs/dbraw/zinc/23/77/15/454237715.db2.gz HJCCUBCSPWDEBP-UHFFFAOYSA-N 0 0 349.778 3.031 10 5 EGBERN O=C(NC1CC1)c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000046479106 454254716 /nfs/dbraw/zinc/25/47/16/454254716.db2.gz KAHJXWPBPDZXOY-UHFFFAOYSA-N 0 0 331.397 3.203 10 5 EGBERN CCCn1cc(Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000078472753 454257655 /nfs/dbraw/zinc/25/76/55/454257655.db2.gz XKOGLDUMOMYWAI-FNORWQNLSA-N 0 0 330.344 3.131 10 5 EGBERN Cc1cnc(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078668676 454295831 /nfs/dbraw/zinc/29/58/31/454295831.db2.gz HNMBHBIXAIZZDL-LRDDRELGSA-N 0 0 331.347 3.404 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000072545359 454306853 /nfs/dbraw/zinc/30/68/53/454306853.db2.gz WZPZPKXGLJTCBA-OLZOCXBDSA-N 0 0 342.399 3.256 10 5 EGBERN CC[C@H](NC(=O)C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000090466953 454309729 /nfs/dbraw/zinc/30/97/29/454309729.db2.gz UIDBKSGRAIZAJG-KBPBESRZSA-N 0 0 340.470 3.401 10 5 EGBERN CC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000090613604 454327713 /nfs/dbraw/zinc/32/77/13/454327713.db2.gz DRVARIGWDMOFTE-YYIAUSFCSA-N 0 0 347.415 3.303 10 5 EGBERN C[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078927712 454337636 /nfs/dbraw/zinc/33/76/36/454337636.db2.gz QHPMLGBRBJYQHP-LLVKDONJSA-N 0 0 327.369 3.424 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@@H](CC)CSC)cc1[N+](=O)[O-] ZINC000091150951 454391615 /nfs/dbraw/zinc/39/16/15/454391615.db2.gz VSVLSXCHDKQUED-LBPRGKRZSA-N 0 0 326.418 3.207 10 5 EGBERN Cc1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc([N+](=O)[O-])c1 ZINC000121131761 454396129 /nfs/dbraw/zinc/39/61/29/454396129.db2.gz INXFTGQLAYTWEI-OAHLLOKOSA-N 0 0 332.381 3.178 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2cccnc2-n2ccnc2)c2ccncc21 ZINC000073291963 454416974 /nfs/dbraw/zinc/41/69/74/454416974.db2.gz ROMQKCPPCNLOEA-UHFFFAOYSA-N 0 0 346.350 3.336 10 5 EGBERN CC(C)(C)OC(=O)N1CC=C(c2ccc(CO)c([N+](=O)[O-])c2)CC1 ZINC000091353239 454430311 /nfs/dbraw/zinc/43/03/11/454430311.db2.gz RQNCFUOMEWUOMQ-UHFFFAOYSA-N 0 0 334.372 3.111 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079526700 454430673 /nfs/dbraw/zinc/43/06/73/454430673.db2.gz YOZMWSIRIKURAZ-VIFPVBQESA-N 0 0 329.194 3.379 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000073513182 454444654 /nfs/dbraw/zinc/44/46/54/454444654.db2.gz DJBBOQYQSLXHTG-ZIAGYGMSSA-N 0 0 330.315 3.485 10 5 EGBERN Cc1cc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000091628920 454451714 /nfs/dbraw/zinc/45/17/14/454451714.db2.gz RSNHDWFFOADQJT-AWEZNQCLSA-N 0 0 344.390 3.321 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cn3cccc(C)c3n2)c1 ZINC000091628399 454452283 /nfs/dbraw/zinc/45/22/83/454452283.db2.gz UGGORRYEXHZZIS-UHFFFAOYSA-N 0 0 330.319 3.311 10 5 EGBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091631578 454452802 /nfs/dbraw/zinc/45/28/02/454452802.db2.gz MXKZYCWIBTZVNJ-ZDUSSCGKSA-N 0 0 345.378 3.040 10 5 EGBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000098097961 454453546 /nfs/dbraw/zinc/45/35/46/454453546.db2.gz JGLASHXDOLTVBD-LLVKDONJSA-N 0 0 344.415 3.425 10 5 EGBERN Cc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000098101830 454454690 /nfs/dbraw/zinc/45/46/90/454454690.db2.gz OBISXYQCDLSBPX-UHFFFAOYSA-N 0 0 348.380 3.307 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CCO2)o1 ZINC000133902164 454480742 /nfs/dbraw/zinc/48/07/42/454480742.db2.gz XLZARJWUBWXMAT-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)nn1-c1ccccc1 ZINC000133897670 454481097 /nfs/dbraw/zinc/48/10/97/454481097.db2.gz SGWJTMOUYZMQBJ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1ccc(C[S@@](=O)CCCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000600910098 460639984 /nfs/dbraw/zinc/63/99/84/460639984.db2.gz UPPCPBKSUZVPPG-DEOSSOPVSA-N 0 0 348.424 3.324 10 5 EGBERN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)ccc1[N+](=O)[O-] ZINC000074099427 454532052 /nfs/dbraw/zinc/53/20/52/454532052.db2.gz IAOFDJLUZRPQAH-MRXNPFEDSA-N 0 0 341.367 3.124 10 5 EGBERN Cc1ccccc1OCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376609 454551252 /nfs/dbraw/zinc/55/12/52/454551252.db2.gz LJWHFNUXBANKEG-ZDUSSCGKSA-N 0 0 326.352 3.260 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc([S@](C)=O)cc2)c1 ZINC000080246617 454555817 /nfs/dbraw/zinc/55/58/17/454555817.db2.gz PHMWRELSPWCUCU-HSZRJFAPSA-N 0 0 338.360 3.092 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000074352404 454569424 /nfs/dbraw/zinc/56/94/24/454569424.db2.gz BYQVYJBIOFBNIV-UHFFFAOYSA-N 0 0 333.369 3.484 10 5 EGBERN Cc1nn(C(F)F)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000065539952 454587695 /nfs/dbraw/zinc/58/76/95/454587695.db2.gz AULXIWFGIIHIJK-UHFFFAOYSA-N 0 0 338.314 3.009 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Sc2ncn(-c3ccccc3)n2)c1 ZINC000092584573 454589874 /nfs/dbraw/zinc/58/98/74/454589874.db2.gz UVWZMRWAXZYLEO-UHFFFAOYSA-N 0 0 346.343 3.474 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092686730 454610661 /nfs/dbraw/zinc/61/06/61/454610661.db2.gz HULBGZMKQBPZGP-WDEREUQCSA-N 0 0 343.330 3.042 10 5 EGBERN Cc1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000080662424 454615194 /nfs/dbraw/zinc/61/51/94/454615194.db2.gz FOFUCRABZCGWGQ-AWEZNQCLSA-N 0 0 328.368 3.409 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)c(F)c1 ZINC000123300250 454622723 /nfs/dbraw/zinc/62/27/23/454622723.db2.gz GQXVGDDNAFUWDC-JTQLQIEISA-N 0 0 332.306 3.393 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000105850466 454659099 /nfs/dbraw/zinc/65/90/99/454659099.db2.gz FDCBFSRCLLAEFQ-OAHLLOKOSA-N 0 0 346.362 3.062 10 5 EGBERN C[C@@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000092977569 454664511 /nfs/dbraw/zinc/66/45/11/454664511.db2.gz JYRDLBDYOKJOAM-KRTXAFLBSA-N 0 0 338.713 3.474 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccs2)n[nH]1 ZINC000080980962 454665474 /nfs/dbraw/zinc/66/54/74/454665474.db2.gz MNXPJLYSAAQAEJ-UHFFFAOYSA-N 0 0 345.384 3.200 10 5 EGBERN CCCn1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000161818892 454726918 /nfs/dbraw/zinc/72/69/18/454726918.db2.gz CZLAKCRWCZHMOP-UHFFFAOYSA-N 0 0 339.355 3.310 10 5 EGBERN CCOc1ccc(C(=O)NCc2cc(C)cc(OC)c2)cc1[N+](=O)[O-] ZINC000162003069 454744938 /nfs/dbraw/zinc/74/49/38/454744938.db2.gz FKQPGOLULRCBLU-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN Cc1cc(C)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000600940096 460652508 /nfs/dbraw/zinc/65/25/08/460652508.db2.gz FYGSBXXKKADHEO-UHFFFAOYSA-N 0 0 348.424 3.338 10 5 EGBERN C[C@H](C(=O)NC1CCC(C)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153083946 454758831 /nfs/dbraw/zinc/75/88/31/454758831.db2.gz AUTVFGNVEWSSEX-NPCAHTBFSA-N 0 0 345.443 3.036 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccccn1 ZINC000612532715 460653008 /nfs/dbraw/zinc/65/30/08/460653008.db2.gz OPHASOCNTZKJGZ-VIFPVBQESA-N 0 0 339.273 3.500 10 5 EGBERN CC[C@H](OC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(Cl)c1 ZINC000176622532 454764710 /nfs/dbraw/zinc/76/47/10/454764710.db2.gz NSEGPSABWCVWJF-ZDUSSCGKSA-N 0 0 337.763 3.448 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000162339107 454768033 /nfs/dbraw/zinc/76/80/33/454768033.db2.gz UUEQBPNKPPRVHV-UHFFFAOYSA-N 0 0 347.375 3.050 10 5 EGBERN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293474 454779686 /nfs/dbraw/zinc/77/96/86/454779686.db2.gz FNZLKCRVUIAJMC-RBSFLKMASA-N 0 0 345.443 3.131 10 5 EGBERN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000108141547 454787667 /nfs/dbraw/zinc/78/76/67/454787667.db2.gz ZAVXCAOAXQEOFK-SWLSCSKDSA-N 0 0 349.774 3.016 10 5 EGBERN Cc1cnn([C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058907 454817371 /nfs/dbraw/zinc/81/73/71/454817371.db2.gz GIWMSTQNKSBQRU-AWEZNQCLSA-N 0 0 341.371 3.078 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000125444843 454822048 /nfs/dbraw/zinc/82/20/48/454822048.db2.gz QOIFVEFEDOXAKT-HNNXBMFYSA-N 0 0 348.399 3.240 10 5 EGBERN Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000153794900 454833739 /nfs/dbraw/zinc/83/37/39/454833739.db2.gz UFTBVACHEHINQQ-HOCLYGCPSA-N 0 0 343.387 3.405 10 5 EGBERN Cc1c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000177206063 454836673 /nfs/dbraw/zinc/83/66/73/454836673.db2.gz PRMODFGOFYVOQG-BBRMVZONSA-N 0 0 344.367 3.225 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN1CCc2nc(C(C)C)ncc2C1 ZINC000143392932 454842736 /nfs/dbraw/zinc/84/27/36/454842736.db2.gz ZADUGIMPDSORFF-UHFFFAOYSA-N 0 0 342.399 3.075 10 5 EGBERN CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125784945 454846447 /nfs/dbraw/zinc/84/64/47/454846447.db2.gz QFHYSDADBXTQKV-YPMHNXCESA-N 0 0 344.458 3.084 10 5 EGBERN C[C@H](Cc1ccccc1F)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160508333 455467245 /nfs/dbraw/zinc/46/72/45/455467245.db2.gz ASIRTCCAOKYSQP-CYBMUJFWSA-N 0 0 345.374 3.207 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2cccs2)C1 ZINC000154057650 454861072 /nfs/dbraw/zinc/86/10/72/454861072.db2.gz FKHDMOJCBDBNCP-NSHDSACASA-N 0 0 325.777 3.283 10 5 EGBERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000164177333 454876237 /nfs/dbraw/zinc/87/62/37/454876237.db2.gz MVIOOUYTADGDTH-UHFFFAOYSA-N 0 0 334.759 3.495 10 5 EGBERN CC[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000177785425 454905039 /nfs/dbraw/zinc/90/50/39/454905039.db2.gz HHSUMUZNZPOHDN-RDJZCZTQSA-N 0 0 326.352 3.166 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000177960679 454922853 /nfs/dbraw/zinc/92/28/53/454922853.db2.gz WYUPOKGWQJZAJV-QGZVFWFLSA-N 0 0 343.383 3.042 10 5 EGBERN CCNC(=O)N1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000127176071 454944131 /nfs/dbraw/zinc/94/41/31/454944131.db2.gz LOQJRTSQJXQDEN-MRVPVSSYSA-N 0 0 347.202 3.117 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000151250704 454959257 /nfs/dbraw/zinc/95/92/57/454959257.db2.gz RDXPBAGASFTCHI-UHFFFAOYSA-N 0 0 343.387 3.048 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2oc3ccccc3c2C)n1 ZINC000191548238 455496065 /nfs/dbraw/zinc/49/60/65/455496065.db2.gz WANRSXAJYJYPSR-NSHDSACASA-N 0 0 342.355 3.357 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127612900 454981736 /nfs/dbraw/zinc/98/17/36/454981736.db2.gz JZBCEXNVYXXHSR-VNQPRFMTSA-N 0 0 328.755 3.316 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000170891277 454995576 /nfs/dbraw/zinc/99/55/76/454995576.db2.gz ZRSVLTFRGKUDER-NSHDSACASA-N 0 0 332.385 3.463 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000115227679 455006245 /nfs/dbraw/zinc/00/62/45/455006245.db2.gz GLXIFYVAQUKBRQ-NSHDSACASA-N 0 0 344.327 3.121 10 5 EGBERN CN(c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(N2CCCC2)n1 ZINC000115390015 455013039 /nfs/dbraw/zinc/01/30/39/455013039.db2.gz PRFWKKBYHDKOPG-UHFFFAOYSA-N 0 0 342.355 3.087 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128132708 455028803 /nfs/dbraw/zinc/02/88/03/455028803.db2.gz CRQZCRUFBGDILK-MEDUHNTESA-N 0 0 338.791 3.015 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000128811605 455084823 /nfs/dbraw/zinc/08/48/23/455084823.db2.gz CLLJFCQFASTTNQ-DYZYQPBXSA-N 0 0 342.326 3.015 10 5 EGBERN Cc1c(CC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000129855013 455130157 /nfs/dbraw/zinc/13/01/57/455130157.db2.gz JVOODOXBTUZFDF-XJKSGUPXSA-N 0 0 340.379 3.127 10 5 EGBERN COc1cccc2c1N(C(=O)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000119168835 455130532 /nfs/dbraw/zinc/13/05/32/455130532.db2.gz KUQJTXUAYGHBKY-UHFFFAOYSA-N 0 0 340.379 3.434 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172362942 455148514 /nfs/dbraw/zinc/14/85/14/455148514.db2.gz RFNPRXFYASRSGS-SOSAQKQKSA-N 0 0 346.408 3.043 10 5 EGBERN COC(=O)C1CCC(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000180331318 455158761 /nfs/dbraw/zinc/15/87/61/455158761.db2.gz NBKKJTYYBPCHCD-IYXRBSQSSA-N 0 0 348.399 3.060 10 5 EGBERN Cc1ccc(OC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000182851469 455177260 /nfs/dbraw/zinc/17/72/60/455177260.db2.gz JEVVEVVJRLJCTP-UHFFFAOYSA-N 0 0 327.384 3.342 10 5 EGBERN Cc1cccc(C(=O)N[C@@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000172956472 455212831 /nfs/dbraw/zinc/21/28/31/455212831.db2.gz PPKYCOOHXKLZFY-AWEZNQCLSA-N 0 0 328.368 3.238 10 5 EGBERN CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180652263 455218613 /nfs/dbraw/zinc/21/86/13/455218613.db2.gz CFSPBNYSNDIPIF-GDBMZVCRSA-N 0 0 343.431 3.365 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000183336608 455278522 /nfs/dbraw/zinc/27/85/22/455278522.db2.gz GEXZGHPNBTYVIW-SADTYBKJSA-N 0 0 330.384 3.026 10 5 EGBERN Cc1cc(COC(=O)[C@H]2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000181296652 455314486 /nfs/dbraw/zinc/31/44/86/455314486.db2.gz NNJDPUXABXZBER-AWEZNQCLSA-N 0 0 340.335 3.072 10 5 EGBERN CC[C@H](NC(=O)NC1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245559340 455330414 /nfs/dbraw/zinc/33/04/14/455330414.db2.gz BNXPDYLFNQDCEH-MKBNYLNASA-N 0 0 335.404 3.301 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000174511331 455398443 /nfs/dbraw/zinc/39/84/43/455398443.db2.gz WNPDGNGKQHPZOM-HNNXBMFYSA-N 0 0 332.400 3.467 10 5 EGBERN CC(C)C[C@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000184568660 455404965 /nfs/dbraw/zinc/40/49/65/455404965.db2.gz LZEMDDZFIDUZDO-CYBMUJFWSA-N 0 0 348.321 3.093 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174664495 455410704 /nfs/dbraw/zinc/41/07/04/455410704.db2.gz ZFWQWYCNAGXBSE-SNVBAGLBSA-N 0 0 332.360 3.075 10 5 EGBERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000160142295 455431504 /nfs/dbraw/zinc/43/15/04/455431504.db2.gz UNKUOVFOAGQHFF-JTQLQIEISA-N 0 0 348.330 3.242 10 5 EGBERN O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160603123 455479195 /nfs/dbraw/zinc/47/91/95/455479195.db2.gz ASIDYFDPSCVGHE-MRXNPFEDSA-N 0 0 341.415 3.250 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)s1 ZINC000160599959 455479347 /nfs/dbraw/zinc/47/93/47/455479347.db2.gz SCKBHZXVTKXQFD-UHFFFAOYSA-N 0 0 330.431 3.001 10 5 EGBERN O=C(CC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182306757 455484906 /nfs/dbraw/zinc/48/49/06/455484906.db2.gz HUKADACMJGTULO-VIFPVBQESA-N 0 0 343.177 3.113 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175724032 455487468 /nfs/dbraw/zinc/48/74/68/455487468.db2.gz SDMUBFPKPMIYIS-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000191500795 455491052 /nfs/dbraw/zinc/49/10/52/455491052.db2.gz WLYIVSFAQLMQNP-UHFFFAOYSA-N 0 0 348.790 3.269 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)n1 ZINC000191528066 455494133 /nfs/dbraw/zinc/49/41/33/455494133.db2.gz KBMFQRXRONTOOI-UHFFFAOYSA-N 0 0 343.368 3.187 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)n1 ZINC000191642514 455506768 /nfs/dbraw/zinc/50/67/68/455506768.db2.gz RRTZSQOKHQKTBF-UHFFFAOYSA-N 0 0 342.277 3.391 10 5 EGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175862498 455508259 /nfs/dbraw/zinc/50/82/59/455508259.db2.gz BGKFAEFMMTXAFZ-SECBINFHSA-N 0 0 342.779 3.050 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CSc2ccc(C)cc2)n1 ZINC000191713991 455512123 /nfs/dbraw/zinc/51/21/23/455512123.db2.gz BWHGTBMUBSNMOZ-LBPRGKRZSA-N 0 0 348.428 3.030 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1 ZINC000191828384 455524327 /nfs/dbraw/zinc/52/43/27/455524327.db2.gz COKOCXALFNSBQL-FZMZJTMJSA-N 0 0 346.362 3.174 10 5 EGBERN CC[C@@H](NC(=O)c1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000267265619 455527298 /nfs/dbraw/zinc/52/72/98/455527298.db2.gz HIHLGEZIUSCGKW-CQSZACIVSA-N 0 0 329.356 3.343 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000176035641 455531498 /nfs/dbraw/zinc/53/14/98/455531498.db2.gz YXRPCOMEPOQNOU-SWLSCSKDSA-N 0 0 341.367 3.397 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000267305147 455536123 /nfs/dbraw/zinc/53/61/23/455536123.db2.gz RLGDTHCAMLXZQG-RHSMWYFYSA-N 0 0 342.351 3.002 10 5 EGBERN CCCCCN(CCO)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267342986 455542447 /nfs/dbraw/zinc/54/24/47/455542447.db2.gz HADIJXWYUWCHFG-INIZCTEOSA-N 0 0 337.420 3.240 10 5 EGBERN CC1(C)[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000247101714 455559904 /nfs/dbraw/zinc/55/99/04/455559904.db2.gz VFPFSBRVAOTYKB-OASPWFOLSA-N 0 0 339.779 3.183 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000185600179 455583457 /nfs/dbraw/zinc/58/34/57/455583457.db2.gz MNOVJYDYBDFPBM-HIFRSBDPSA-N 0 0 337.420 3.013 10 5 EGBERN Cc1cc(OCc2cc(-c3cnn(C)c3)no2)c(F)cc1[N+](=O)[O-] ZINC000185668800 455592864 /nfs/dbraw/zinc/59/28/64/455592864.db2.gz SJISINWBTYZVGN-UHFFFAOYSA-N 0 0 332.291 3.010 10 5 EGBERN O=C(NCCOCC1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277609929 455613465 /nfs/dbraw/zinc/61/34/65/455613465.db2.gz AOAHOTOLIIOKOB-UHFFFAOYSA-N 0 0 336.391 3.250 10 5 EGBERN CCCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC000271384949 455618775 /nfs/dbraw/zinc/61/87/75/455618775.db2.gz KDWRCRVWBXXVMQ-UHFFFAOYSA-N 0 0 338.751 3.023 10 5 EGBERN CCc1n[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185773727 455619590 /nfs/dbraw/zinc/61/95/90/455619590.db2.gz SMHZCJBRHIAUKI-JQWIXIFHSA-N 0 0 332.360 3.087 10 5 EGBERN Cc1cc(N(C)[C@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185878289 455641675 /nfs/dbraw/zinc/64/16/75/455641675.db2.gz HXCZKEMBRSDMEB-INIZCTEOSA-N 0 0 344.415 3.203 10 5 EGBERN Cc1sc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000268306642 455646539 /nfs/dbraw/zinc/64/65/39/455646539.db2.gz OQTJQWJCSJKYDA-BXUZGUMPSA-N 0 0 348.424 3.249 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271492762 455659548 /nfs/dbraw/zinc/65/95/48/455659548.db2.gz KGHGDUUGOCIWRO-UHFFFAOYSA-N 0 0 343.387 3.142 10 5 EGBERN O=C(NCc1nc2ccccc2n1C1CC1)c1csc([N+](=O)[O-])c1 ZINC000186005245 455673081 /nfs/dbraw/zinc/67/30/81/455673081.db2.gz ZGKBACSQPHPDGH-UHFFFAOYSA-N 0 0 342.380 3.271 10 5 EGBERN Cc1cc(Cc2noc([C@H]3CCCc4n[nH]cc43)n2)ccc1[N+](=O)[O-] ZINC000277819224 455676900 /nfs/dbraw/zinc/67/69/00/455676900.db2.gz HLYCUEYQWQSWGJ-LBPRGKRZSA-N 0 0 339.355 3.068 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000192806550 455697834 /nfs/dbraw/zinc/69/78/34/455697834.db2.gz KRENMHQYDCVIBJ-GFCCVEGCSA-N 0 0 347.371 3.184 10 5 EGBERN C[C@@H]1C[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192868503 455707931 /nfs/dbraw/zinc/70/79/31/455707931.db2.gz BWTZXKJROHOIPJ-WBMJQRKESA-N 0 0 326.352 3.312 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cccc2ccccc21 ZINC000193207005 455746653 /nfs/dbraw/zinc/74/66/53/455746653.db2.gz MJVQDFXZDVOWQY-UHFFFAOYSA-N 0 0 335.363 3.424 10 5 EGBERN C[C@@H](CCO)C1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000271759621 455749715 /nfs/dbraw/zinc/74/97/15/455749715.db2.gz BCAAOUGIBAXHPI-KBPBESRZSA-N 0 0 349.431 3.144 10 5 EGBERN C[C@@H](CO)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278167577 455775821 /nfs/dbraw/zinc/77/58/21/455775821.db2.gz YQHGOBLGXDPSDB-CYBMUJFWSA-N 0 0 338.407 3.232 10 5 EGBERN CO[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000278271776 455802977 /nfs/dbraw/zinc/80/29/77/455802977.db2.gz FIAPZMDYRVASHR-TVQRCGJNSA-N 0 0 326.780 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000278307011 455813020 /nfs/dbraw/zinc/81/30/20/455813020.db2.gz APLDJSGGMCCVOW-UHFFFAOYSA-N 0 0 340.383 3.347 10 5 EGBERN CCc1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000272141909 455857417 /nfs/dbraw/zinc/85/74/17/455857417.db2.gz UTPMBFHGBFHQRP-HOCLYGCPSA-N 0 0 334.416 3.026 10 5 EGBERN CN(CC(C)(C)CO)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000295804488 455859628 /nfs/dbraw/zinc/85/96/28/455859628.db2.gz FYKPWMUIAFPKSS-UHFFFAOYSA-N 0 0 338.407 3.184 10 5 EGBERN COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C)o1 ZINC000272249741 455891544 /nfs/dbraw/zinc/89/15/44/455891544.db2.gz IBTUIHMCSSEXFS-LLVKDONJSA-N 0 0 338.385 3.374 10 5 EGBERN CCN(CC(F)(F)F)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601072641 460700039 /nfs/dbraw/zinc/70/00/39/460700039.db2.gz ODEFSYTZAKANLF-UHFFFAOYSA-N 0 0 340.685 3.038 10 5 EGBERN O=C(c1cc2ccccc2c2cccnc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195331978 455945021 /nfs/dbraw/zinc/94/50/21/455945021.db2.gz DBSDBXHHLHRIIJ-MRXNPFEDSA-N 0 0 331.419 3.308 10 5 EGBERN CCc1ccc(N(CC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000280340741 455950667 /nfs/dbraw/zinc/95/06/67/455950667.db2.gz WEXWZSOZXGEBKP-UHFFFAOYSA-N 0 0 330.388 3.194 10 5 EGBERN CS(=O)(=O)c1ccc(N[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000198107583 455998341 /nfs/dbraw/zinc/99/83/41/455998341.db2.gz QKRYTBNSSKOWFQ-AWEZNQCLSA-N 0 0 332.381 3.098 10 5 EGBERN CCc1nnc([C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000270701210 456018007 /nfs/dbraw/zinc/01/80/07/456018007.db2.gz IPGQMQNPTNPRRU-ZETCQYMHSA-N 0 0 329.282 3.467 10 5 EGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOC[C@H]1CC(F)F ZINC000286324788 456024186 /nfs/dbraw/zinc/02/41/86/456024186.db2.gz ITWIWUDEPDUNKR-SECBINFHSA-N 0 0 340.248 3.474 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC1CCC1)[C@H](C)CO ZINC000280835534 456062822 /nfs/dbraw/zinc/06/28/22/456062822.db2.gz PSZSOXJEXJMTRV-LLVKDONJSA-N 0 0 340.807 3.180 10 5 EGBERN CNC(=O)c1ccc(N2CC=C(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000301297709 456084698 /nfs/dbraw/zinc/08/46/98/456084698.db2.gz SPLKFKLKVNCMHP-UHFFFAOYSA-N 0 0 343.408 3.310 10 5 EGBERN COc1ccc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(OC)c1 ZINC000601100588 460709868 /nfs/dbraw/zinc/70/98/68/460709868.db2.gz VODMKFITYKQAKE-UHFFFAOYSA-N 0 0 346.265 3.108 10 5 EGBERN Cc1cc(N2CCc3[nH]c4ccc(F)cc4c3C2)ncc1[N+](=O)[O-] ZINC000301451192 456119438 /nfs/dbraw/zinc/11/94/38/456119438.db2.gz UCDLNZNFUBMBEH-UHFFFAOYSA-N 0 0 326.331 3.481 10 5 EGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccncc1 ZINC000601119174 460717223 /nfs/dbraw/zinc/71/72/23/460717223.db2.gz OMZAPQDLTUOQIT-VIFPVBQESA-N 0 0 329.282 3.305 10 5 EGBERN COc1cc(NC2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000301637184 456170182 /nfs/dbraw/zinc/17/01/82/456170182.db2.gz XGFHJQAOTQXXDE-UHFFFAOYSA-N 0 0 346.362 3.218 10 5 EGBERN CC(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000301739922 456202974 /nfs/dbraw/zinc/20/29/74/456202974.db2.gz XDBPEKZIEVCCRL-SFHVURJKSA-N 0 0 342.351 3.081 10 5 EGBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301789685 456215134 /nfs/dbraw/zinc/21/51/34/456215134.db2.gz QUIYLQNBWDBLAQ-HIFRSBDPSA-N 0 0 347.415 3.200 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H](OC)C2)cc1Cl ZINC000301807504 456219037 /nfs/dbraw/zinc/21/90/37/456219037.db2.gz YTUAZRGSMLAQJL-ZJUUUORDSA-N 0 0 342.779 3.404 10 5 EGBERN Cc1nc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c(C)s1 ZINC000301834309 456227694 /nfs/dbraw/zinc/22/76/94/456227694.db2.gz KJKQIXFLNZEQKG-UHFFFAOYSA-N 0 0 346.412 3.172 10 5 EGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301843020 456230232 /nfs/dbraw/zinc/23/02/32/456230232.db2.gz KISULHULFOODTJ-SNVBAGLBSA-N 0 0 344.762 3.397 10 5 EGBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000301857919 456234828 /nfs/dbraw/zinc/23/48/28/456234828.db2.gz SATIZCXAMJJINI-LLVKDONJSA-N 0 0 327.319 3.488 10 5 EGBERN Cc1cnc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908901 456247961 /nfs/dbraw/zinc/24/79/61/456247961.db2.gz RNJDHYLDVYETJQ-ZBFHGGJFSA-N 0 0 348.353 3.434 10 5 EGBERN Cc1cc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908890 456248680 /nfs/dbraw/zinc/24/86/80/456248680.db2.gz RMWRYWPZRQBMMD-YOEHRIQHSA-N 0 0 348.353 3.434 10 5 EGBERN CC(C)c1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301941581 456255560 /nfs/dbraw/zinc/25/55/60/456255560.db2.gz UYLRPZFQWVHUEG-GFCCVEGCSA-N 0 0 342.399 3.255 10 5 EGBERN CCOc1cc(N2CCC[C@H]2Cn2ccnc2C)ccc1[N+](=O)[O-] ZINC000301967964 456260512 /nfs/dbraw/zinc/26/05/12/456260512.db2.gz XKABPKFZHAVGOG-HNNXBMFYSA-N 0 0 330.388 3.167 10 5 EGBERN COc1cc(CN(C)Cc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000352783726 456302551 /nfs/dbraw/zinc/30/25/51/456302551.db2.gz LBYFQXUWPOTBKV-UHFFFAOYSA-N 0 0 327.340 3.377 10 5 EGBERN Cc1cn2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc2n1 ZINC000342907515 456305014 /nfs/dbraw/zinc/30/50/14/456305014.db2.gz PQPFZNOIZSKNEA-UHFFFAOYSA-N 0 0 335.323 3.285 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1OC(C)C ZINC000352802799 456322038 /nfs/dbraw/zinc/32/20/38/456322038.db2.gz GFFZVNRTZXJKSQ-UHFFFAOYSA-N 0 0 333.319 3.477 10 5 EGBERN COc1cc2c(cc1F)ncnc2NCc1ccccc1[N+](=O)[O-] ZINC000302252258 456329834 /nfs/dbraw/zinc/32/98/34/456329834.db2.gz AUWBQEZDZWGASN-UHFFFAOYSA-N 0 0 328.303 3.298 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@H](O)CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297963474 456334712 /nfs/dbraw/zinc/33/47/12/456334712.db2.gz NEYAMGOFAOPVCC-JKSUJKDBSA-N 0 0 349.431 3.238 10 5 EGBERN COC(=O)c1cc(NCC2(OC)CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000302425569 456342436 /nfs/dbraw/zinc/34/24/36/456342436.db2.gz OVPGTVKZIHDYRG-UHFFFAOYSA-N 0 0 336.388 3.451 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CC2(O)CCCCCC2)c1 ZINC000302461640 456344621 /nfs/dbraw/zinc/34/46/21/456344621.db2.gz UPRYFDKBUNLGDR-UHFFFAOYSA-N 0 0 326.368 3.264 10 5 EGBERN COc1cc(F)ccc1N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000302472558 456346502 /nfs/dbraw/zinc/34/65/02/456346502.db2.gz DDJXTBUMMGHTOG-UHFFFAOYSA-N 0 0 345.374 3.378 10 5 EGBERN CC(C)c1cccc2c1CCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2 ZINC000302764752 456393530 /nfs/dbraw/zinc/39/35/30/456393530.db2.gz LFZCEAFHVHBKLE-UHFFFAOYSA-N 0 0 337.383 3.324 10 5 EGBERN COc1cc(OC)c2ncnc(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000302841108 456415807 /nfs/dbraw/zinc/41/58/07/456415807.db2.gz CVXKDDWGRLALQA-UHFFFAOYSA-N 0 0 340.339 3.167 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340398856 456437717 /nfs/dbraw/zinc/43/77/17/456437717.db2.gz YQUQXIKKRYVXQI-QGZVFWFLSA-N 0 0 340.383 3.303 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC(C)(C)CC(F)(F)F ZINC000601150749 460733228 /nfs/dbraw/zinc/73/32/28/460733228.db2.gz BPFLYNHRXPOAJB-UHFFFAOYSA-N 0 0 334.220 3.490 10 5 EGBERN Cc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cccc1N(C)C ZINC000343307543 456521303 /nfs/dbraw/zinc/52/13/03/456521303.db2.gz YDCPOWYZVCOCNI-UHFFFAOYSA-N 0 0 331.376 3.068 10 5 EGBERN COC(=O)c1cc(NC(=O)c2nc(C)sc2C)c(C)c([N+](=O)[O-])c1 ZINC000276723814 456560910 /nfs/dbraw/zinc/56/09/10/456560910.db2.gz BRKCYRQWZBYFOK-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000353320795 456636199 /nfs/dbraw/zinc/63/61/99/456636199.db2.gz CHNQTDSCPUUMKL-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN C[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000324525416 456669058 /nfs/dbraw/zinc/66/90/58/456669058.db2.gz YAXNJTFPPUUKSE-LBPRGKRZSA-N 0 0 325.368 3.444 10 5 EGBERN CCOC(=O)c1sc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)nc1C ZINC000348498340 456716535 /nfs/dbraw/zinc/71/65/35/456716535.db2.gz SZUNKKNZPWTDKA-NSHDSACASA-N 0 0 349.412 3.387 10 5 EGBERN COc1ccc(NC(C)=O)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000353548917 456750860 /nfs/dbraw/zinc/75/08/60/456750860.db2.gz YTDYFAOVNVPLJJ-UHFFFAOYSA-N 0 0 349.368 3.184 10 5 EGBERN CCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCCOCC ZINC000283618680 456813967 /nfs/dbraw/zinc/81/39/67/456813967.db2.gz NMXZUVJSHRXIKB-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277461788 456833362 /nfs/dbraw/zinc/83/33/62/456833362.db2.gz PDICBTXXODVYEG-JTQLQIEISA-N 0 0 345.321 3.075 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000344990189 456888451 /nfs/dbraw/zinc/88/84/51/456888451.db2.gz KEQMYTOEZJLIGI-GFCCVEGCSA-N 0 0 329.356 3.106 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338992074 456889397 /nfs/dbraw/zinc/88/93/97/456889397.db2.gz DYGCYRCTEMMQDR-CQSZACIVSA-N 0 0 343.349 3.282 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000339020918 456903165 /nfs/dbraw/zinc/90/31/65/456903165.db2.gz JSKOFKODPOUEIV-UHFFFAOYSA-N 0 0 343.318 3.267 10 5 EGBERN CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341723825 456915389 /nfs/dbraw/zinc/91/53/89/456915389.db2.gz WFLIWCOULRFRRP-UFBFGSQYSA-N 0 0 345.193 3.357 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341724795 456916186 /nfs/dbraw/zinc/91/61/86/456916186.db2.gz CAQGVIBJUHOFDC-CQSZACIVSA-N 0 0 327.340 3.036 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000341798768 456949008 /nfs/dbraw/zinc/94/90/08/456949008.db2.gz CZPIMFZTJMIQFG-RYUDHWBXSA-N 0 0 329.356 3.422 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CO)c(F)c1 ZINC000353918756 456965483 /nfs/dbraw/zinc/96/54/83/456965483.db2.gz ZKUOEUFKGNIOMQ-UHFFFAOYSA-N 0 0 347.346 3.110 10 5 EGBERN Cc1ncc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000339201606 456989289 /nfs/dbraw/zinc/98/92/89/456989289.db2.gz QHUJKPRNRZFLNM-UHFFFAOYSA-N 0 0 341.371 3.011 10 5 EGBERN COc1cccc2c1[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000349676203 457013288 /nfs/dbraw/zinc/01/32/88/457013288.db2.gz CUZJZMRYFZKLDK-HNNXBMFYSA-N 0 0 340.379 3.258 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)n1 ZINC000354031057 457020048 /nfs/dbraw/zinc/02/00/48/457020048.db2.gz BOGJBWYUZJEENV-UHFFFAOYSA-N 0 0 335.270 3.157 10 5 EGBERN COCC[C@@H]1CCCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000341971415 457033402 /nfs/dbraw/zinc/03/34/02/457033402.db2.gz PANYTGREUQOYET-LBPRGKRZSA-N 0 0 339.367 3.404 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnccn1 ZINC000356577446 457064530 /nfs/dbraw/zinc/06/45/30/457064530.db2.gz NFPWRVQCRTWZBA-UHFFFAOYSA-N 0 0 346.412 3.159 10 5 EGBERN Cc1cc(=NC(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000362730050 457067415 /nfs/dbraw/zinc/06/74/15/457067415.db2.gz UHHSNDWYWISVOF-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccoc2)n1C ZINC000349828627 457068531 /nfs/dbraw/zinc/06/85/31/457068531.db2.gz GWOVQHVVYRQGOJ-UHFFFAOYSA-N 0 0 341.371 3.398 10 5 EGBERN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331292055 457161349 /nfs/dbraw/zinc/16/13/49/457161349.db2.gz BOQWKQOOXRPRHN-UKRRQHHQSA-N 0 0 334.416 3.125 10 5 EGBERN COC(=O)c1cc(NC(=O)NCC2(C)CCC2)c(C)c([N+](=O)[O-])c1 ZINC000362993204 457187862 /nfs/dbraw/zinc/18/78/62/457187862.db2.gz QKZJHGGIGJUXMR-UHFFFAOYSA-N 0 0 335.360 3.002 10 5 EGBERN C/C(=C\c1nc(Cc2cc(C)on2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356925969 457223903 /nfs/dbraw/zinc/22/39/03/457223903.db2.gz YVJAYFULNNTVCT-JXMROGBWSA-N 0 0 326.312 3.426 10 5 EGBERN CCOc1cc(NCc2ccc3c(=O)cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000347089989 457224880 /nfs/dbraw/zinc/22/48/80/457224880.db2.gz IOPPGCFZVXKVFP-UHFFFAOYSA-N 0 0 339.351 3.447 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C2CCC2)cn1 ZINC000360061641 457232448 /nfs/dbraw/zinc/23/24/48/457232448.db2.gz SNFSBIVQQXODSS-UHFFFAOYSA-N 0 0 327.340 3.275 10 5 EGBERN CC(C)Oc1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1[N+](=O)[O-] ZINC000351176505 457233704 /nfs/dbraw/zinc/23/37/04/457233704.db2.gz BWFAOWCPDCBIQP-LBPRGKRZSA-N 0 0 333.344 3.154 10 5 EGBERN CC(C)Oc1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1[N+](=O)[O-] ZINC000351176502 457233894 /nfs/dbraw/zinc/23/38/94/457233894.db2.gz BWFAOWCPDCBIQP-GFCCVEGCSA-N 0 0 333.344 3.154 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C(C)C)nc3)no2)n1 ZINC000347134233 457248311 /nfs/dbraw/zinc/24/83/11/457248311.db2.gz IRPZERHHPRLWKP-UHFFFAOYSA-N 0 0 328.332 3.047 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnc(OC(C)C)c2)c1 ZINC000360137320 457271169 /nfs/dbraw/zinc/27/11/69/457271169.db2.gz ZIHGPSJVWWHCGZ-UHFFFAOYSA-N 0 0 345.355 3.176 10 5 EGBERN CCN1C[C@@H](c2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)CC1=O ZINC000351443041 457290370 /nfs/dbraw/zinc/29/03/70/457290370.db2.gz RYSVISRNIXYPEP-LBPRGKRZSA-N 0 0 344.371 3.104 10 5 EGBERN O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000360227575 457296343 /nfs/dbraw/zinc/29/63/43/457296343.db2.gz VZAGUOSWIVZUEV-UHFFFAOYSA-N 0 0 345.168 3.369 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc4ncccc43)no2)n1 ZINC000347229698 457299814 /nfs/dbraw/zinc/29/98/14/457299814.db2.gz WUSIQVBKWUWHPG-UHFFFAOYSA-N 0 0 336.311 3.076 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccncc1F ZINC000347288559 457332530 /nfs/dbraw/zinc/33/25/30/457332530.db2.gz ZFHSQYRVTQZPHZ-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN Cc1ccncc1N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000340107217 457335091 /nfs/dbraw/zinc/33/50/91/457335091.db2.gz USKJLSWDXSBBHO-UHFFFAOYSA-N 0 0 346.818 3.274 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000357141897 457343988 /nfs/dbraw/zinc/34/39/88/457343988.db2.gz ALSPEXMOFSMACC-UHFFFAOYSA-N 0 0 335.323 3.420 10 5 EGBERN COc1cc(NCC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000360788880 457354083 /nfs/dbraw/zinc/35/40/83/457354083.db2.gz ZXZUMPSIVKNYEI-ZDUSSCGKSA-N 0 0 330.340 3.245 10 5 EGBERN COC(=O)c1c(C)c(NCc2cc([N+](=O)[O-])ccc2OC)ccc1F ZINC000357187834 457365654 /nfs/dbraw/zinc/36/56/54/457365654.db2.gz NMBKENGTVFASRE-UHFFFAOYSA-N 0 0 348.330 3.450 10 5 EGBERN COCc1noc([C@@H](C)SCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000342560508 457366842 /nfs/dbraw/zinc/36/68/42/457366842.db2.gz RYKQUDGEVYFNJR-SECBINFHSA-N 0 0 339.373 3.127 10 5 EGBERN COC(=O)C1(CSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000347420017 457416587 /nfs/dbraw/zinc/41/65/87/457416587.db2.gz ULJQQUBIUMSXAP-UHFFFAOYSA-N 0 0 346.202 3.403 10 5 EGBERN C[C@H](C(=O)Nc1cn(C)nc1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000360894584 457415596 /nfs/dbraw/zinc/41/55/96/457415596.db2.gz UXVOVAOCLIINMV-VIFPVBQESA-N 0 0 332.335 3.087 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000363731874 457432030 /nfs/dbraw/zinc/43/20/30/457432030.db2.gz CUEMKNFWAZDTCC-GDBMZVCRSA-N 0 0 345.399 3.134 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000355944978 457432890 /nfs/dbraw/zinc/43/28/90/457432890.db2.gz RLHLJUYCJVJGQJ-MCIONIFRSA-N 0 0 342.399 3.287 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CC(F)F)C1 ZINC000425088336 457433816 /nfs/dbraw/zinc/43/38/16/457433816.db2.gz NAHNBQJXGGQOIM-SECBINFHSA-N 0 0 330.356 3.189 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2cccc(OC(F)F)c21 ZINC000363871199 457460621 /nfs/dbraw/zinc/46/06/21/457460621.db2.gz ACDMEECUGLIKBW-UHFFFAOYSA-N 0 0 349.293 3.184 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000360987235 457491530 /nfs/dbraw/zinc/49/15/30/457491530.db2.gz YMKLRYYVYUJVDW-UEKVPHQBSA-N 0 0 330.388 3.485 10 5 EGBERN Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccncc2[N+](=O)[O-])cc1 ZINC000360989405 457493251 /nfs/dbraw/zinc/49/32/51/457493251.db2.gz CLYFLSIIMPNCBQ-YJBOKZPZSA-N 0 0 327.384 3.300 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC000347553112 457502873 /nfs/dbraw/zinc/50/28/73/457502873.db2.gz BFSBHYOSQMMWDA-UHFFFAOYSA-N 0 0 344.342 3.056 10 5 EGBERN O=C(Nc1ccccc1-c1nc[nH]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356219986 457543662 /nfs/dbraw/zinc/54/36/62/457543662.db2.gz WZXWPIFDMXDDQV-UHFFFAOYSA-N 0 0 348.322 3.114 10 5 EGBERN C[C@H]1C[C@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCO1 ZINC000357463964 457545436 /nfs/dbraw/zinc/54/54/36/457545436.db2.gz FTUAFOCSQGRDMV-VHSXEESVSA-N 0 0 328.328 3.409 10 5 EGBERN C[C@@H]1C[C@@H](c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000357490828 457562201 /nfs/dbraw/zinc/56/22/01/457562201.db2.gz XAFSCYGRHVYMEU-OLZOCXBDSA-N 0 0 346.387 3.305 10 5 EGBERN CC[C@](C)(C(=O)OC)N(Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000425505500 457579877 /nfs/dbraw/zinc/57/98/77/457579877.db2.gz BKCFYUUWUOILPQ-QGZVFWFLSA-N 0 0 338.379 3.288 10 5 EGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000364393480 457590677 /nfs/dbraw/zinc/59/06/77/457590677.db2.gz LHEDLKCCAGIPAF-QGZVFWFLSA-N 0 0 344.392 3.318 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000357574172 457601678 /nfs/dbraw/zinc/60/16/78/457601678.db2.gz XGSKTRXMMIYTEZ-MRVPVSSYSA-N 0 0 326.740 3.341 10 5 EGBERN C[C@H](c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1)C1CC1 ZINC000357593773 457611597 /nfs/dbraw/zinc/61/15/97/457611597.db2.gz ITWYBPXIJKJXFV-JTQLQIEISA-N 0 0 325.328 3.344 10 5 EGBERN CNc1c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000361175799 457630495 /nfs/dbraw/zinc/63/04/95/457630495.db2.gz GWKHKZQKRNBAEU-ZIAGYGMSSA-N 0 0 329.331 3.062 10 5 EGBERN CNc1c(C(=O)N[C@H](C)Cc2cccc(OC)c2)cccc1[N+](=O)[O-] ZINC000361222459 457653072 /nfs/dbraw/zinc/65/30/72/457653072.db2.gz YENHVJVSHOIOBW-GFCCVEGCSA-N 0 0 343.383 3.006 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@H](c4ccsc4)C3)nc2c1 ZINC000361268801 457673275 /nfs/dbraw/zinc/67/32/75/457673275.db2.gz XHFABPVKJJVNIB-HNNXBMFYSA-N 0 0 344.396 3.106 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC12CCC2 ZINC000426278461 457800188 /nfs/dbraw/zinc/80/01/88/457800188.db2.gz QFOGLGPKXNJIDB-UHFFFAOYSA-N 0 0 343.305 3.452 10 5 EGBERN COc1cc(C)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000358133869 457807144 /nfs/dbraw/zinc/80/71/44/457807144.db2.gz RISOWKDXAURBCA-UHFFFAOYSA-N 0 0 330.340 3.102 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC2CC1(C(F)(F)F)C2 ZINC000411120962 457807710 /nfs/dbraw/zinc/80/77/10/457807710.db2.gz IODUTTNVOJSKMO-UHFFFAOYSA-N 0 0 346.330 3.240 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774657 457811211 /nfs/dbraw/zinc/81/12/11/457811211.db2.gz JUJSDADHGFDGEP-HOTGVXAUSA-N 0 0 340.445 3.229 10 5 EGBERN CCCCN(Cc1ccccc1F)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000443949101 457829017 /nfs/dbraw/zinc/82/90/17/457829017.db2.gz RJVOZIGRQMCJKW-UHFFFAOYSA-N 0 0 348.378 3.462 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCc2nc[nH]c2C1 ZINC000371279737 457847966 /nfs/dbraw/zinc/84/79/66/457847966.db2.gz KRCSRDMVSUCDCE-VIFPVBQESA-N 0 0 337.177 3.050 10 5 EGBERN Cn1cc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000444092174 457850822 /nfs/dbraw/zinc/85/08/22/457850822.db2.gz ZTMIYKALMOMRPE-JTQLQIEISA-N 0 0 334.405 3.237 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000366559553 457851982 /nfs/dbraw/zinc/85/19/82/457851982.db2.gz RAZAQJAAPSXDQW-GWKQRERASA-N 0 0 344.411 3.273 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)cc2Cl)n1 ZINC000427123985 457946729 /nfs/dbraw/zinc/94/67/29/457946729.db2.gz MOQQBRCWLXXQBW-UHFFFAOYSA-N 0 0 343.170 3.048 10 5 EGBERN Cc1cc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000434146104 457953236 /nfs/dbraw/zinc/95/32/36/457953236.db2.gz VGBXXZXMRRSBAS-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CC(C)(C)n1nnnc1CSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361916033 457953379 /nfs/dbraw/zinc/95/33/79/457953379.db2.gz KUXCFRHBNSIAGP-UHFFFAOYSA-N 0 0 341.824 3.423 10 5 EGBERN O=C(NC1(C2CCC2)CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000458230276 457979765 /nfs/dbraw/zinc/97/97/65/457979765.db2.gz DHLUOIPCAKIBRB-UHFFFAOYSA-N 0 0 340.383 3.233 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000444895001 457994272 /nfs/dbraw/zinc/99/42/72/457994272.db2.gz JCKFGYMVMKMJPT-VIFPVBQESA-N 0 0 329.303 3.303 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000444909784 457996182 /nfs/dbraw/zinc/99/61/82/457996182.db2.gz ZXLDTSQCBCUSHP-CQSZACIVSA-N 0 0 341.367 3.282 10 5 EGBERN CC(C)N1C(=O)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000362355638 458125126 /nfs/dbraw/zinc/12/51/26/458125126.db2.gz YSBSGHFDRRFHJP-UHFFFAOYSA-N 0 0 339.823 3.079 10 5 EGBERN CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000362373821 458132707 /nfs/dbraw/zinc/13/27/07/458132707.db2.gz PQJWLVLOTDGHHN-CYBMUJFWSA-N 0 0 329.400 3.233 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](Cc4ccccc4)C3)nn21 ZINC000362428392 458170082 /nfs/dbraw/zinc/17/00/82/458170082.db2.gz JAULCZBAZMDPPO-HNNXBMFYSA-N 0 0 337.383 3.097 10 5 EGBERN CCc1cnccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446287253 458172114 /nfs/dbraw/zinc/17/21/14/458172114.db2.gz HCOWCTNINLYLKO-UHFFFAOYSA-N 0 0 333.775 3.444 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 ZINC000428679977 458190156 /nfs/dbraw/zinc/19/01/56/458190156.db2.gz MUHPZFSQUWUETC-FUHWJXTLSA-N 0 0 345.374 3.315 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NCc1ccnc(-n2ccnc2)c1 ZINC000376119325 458203334 /nfs/dbraw/zinc/20/33/34/458203334.db2.gz VUPQCFQYVOMADJ-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000358798089 458224546 /nfs/dbraw/zinc/22/45/46/458224546.db2.gz YNZUBGKJYDSFNN-LLVKDONJSA-N 0 0 327.331 3.244 10 5 EGBERN CCCc1ncc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000459053623 458254278 /nfs/dbraw/zinc/25/42/78/458254278.db2.gz RSNBCYXQZJKRCD-UHFFFAOYSA-N 0 0 346.387 3.270 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCC(Oc3cnccn3)CC2)ccc1Cl ZINC000369671891 458311652 /nfs/dbraw/zinc/31/16/52/458311652.db2.gz WNLXTXLUWBVBET-UHFFFAOYSA-N 0 0 348.790 3.082 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(OCC(F)F)c3)nc2c1 ZINC000447674286 458328093 /nfs/dbraw/zinc/32/80/93/458328093.db2.gz BFDZLQTYYPQNGO-UHFFFAOYSA-N 0 0 348.309 3.149 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000447681949 458328629 /nfs/dbraw/zinc/32/86/29/458328629.db2.gz UDBNXFQWELAZHL-GOSISDBHSA-N 0 0 336.351 3.107 10 5 EGBERN CC(C)(C)OC(=O)CCCCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447675666 458328979 /nfs/dbraw/zinc/32/89/79/458328979.db2.gz OCNLQPRBTFXXFZ-UHFFFAOYSA-N 0 0 348.403 3.207 10 5 EGBERN CSc1ccc(F)cc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685354 458330060 /nfs/dbraw/zinc/33/00/60/458330060.db2.gz KMUFUDBPCLWLQA-UHFFFAOYSA-N 0 0 332.360 3.366 10 5 EGBERN O=[N+]([O-])c1cccc(OC[C@H](O)CN2Cc3ccc(Cl)cc3C2)c1 ZINC000459750899 458468717 /nfs/dbraw/zinc/46/87/17/458468717.db2.gz AREDTYMEPLQPHO-MRXNPFEDSA-N 0 0 348.786 3.004 10 5 EGBERN Cc1cc(N2CCC3(C2)Oc2ccccc2O3)c(F)cc1[N+](=O)[O-] ZINC000461868023 458576277 /nfs/dbraw/zinc/57/62/77/458576277.db2.gz XXCQJOQCBKOWGZ-UHFFFAOYSA-N 0 0 330.315 3.420 10 5 EGBERN Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000493905155 458597018 /nfs/dbraw/zinc/59/70/18/458597018.db2.gz GWCXJDOKMRYMKW-ZIAGYGMSSA-N 0 0 338.429 3.022 10 5 EGBERN Cc1noc(C2CCC(NC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)n1 ZINC000378049035 458611457 /nfs/dbraw/zinc/61/14/57/458611457.db2.gz QWEOZUKLGRHOGF-UHFFFAOYSA-N 0 0 344.371 3.051 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000438940222 458631911 /nfs/dbraw/zinc/63/19/11/458631911.db2.gz VHIUHTPOMRLJBR-LLVKDONJSA-N 0 0 326.780 3.244 10 5 EGBERN Cc1cc(NC(=O)C(C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462584437 458632585 /nfs/dbraw/zinc/63/25/85/458632585.db2.gz JOMNOQVEJBOTCL-UHFFFAOYSA-N 0 0 325.368 3.248 10 5 EGBERN CCc1cccnc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000462585010 458632938 /nfs/dbraw/zinc/63/29/38/458632938.db2.gz QJDAAXRWQFTRCO-UHFFFAOYSA-N 0 0 336.351 3.083 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c2ncccc12 ZINC000439078986 458650216 /nfs/dbraw/zinc/65/02/16/458650216.db2.gz RXKFHMXPHNVOKC-ZIAGYGMSSA-N 0 0 327.384 3.396 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000439143507 458661241 /nfs/dbraw/zinc/66/12/41/458661241.db2.gz UTNAVOWOOJURHQ-UHFFFAOYSA-N 0 0 339.351 3.048 10 5 EGBERN NC(=O)c1ccc(N2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000432133451 458687433 /nfs/dbraw/zinc/68/74/33/458687433.db2.gz MHWMUAPEGTYXLO-ZDUSSCGKSA-N 0 0 345.786 3.341 10 5 EGBERN O=C(NCCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000432143376 458689495 /nfs/dbraw/zinc/68/94/95/458689495.db2.gz NGEJGZUHFXTUOV-UHFFFAOYSA-N 0 0 333.775 3.480 10 5 EGBERN Cn1c2ccc(Cl)cc2nc1NCc1ccc([N+](=O)[O-])cc1F ZINC000463497872 458704750 /nfs/dbraw/zinc/70/47/50/458704750.db2.gz OQOIFSXGLSSCIR-UHFFFAOYSA-N 0 0 334.738 3.308 10 5 EGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432324980 458715375 /nfs/dbraw/zinc/71/53/75/458715375.db2.gz IYSGZIHGPBAJHA-JTQLQIEISA-N 0 0 344.820 3.201 10 5 EGBERN Cc1nc2ccncc2cc1OCCOc1ccccc1[N+](=O)[O-] ZINC000432341601 458720210 /nfs/dbraw/zinc/72/02/10/458720210.db2.gz YEVNMYRZWJQLGZ-UHFFFAOYSA-N 0 0 325.324 3.304 10 5 EGBERN Cc1oc2ccccc2c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000547344939 458722963 /nfs/dbraw/zinc/72/29/63/458722963.db2.gz FIMSGOXDSJUEKD-UHFFFAOYSA-N 0 0 340.335 3.458 10 5 EGBERN Cc1ccc(CN(CCO)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000432430689 458738685 /nfs/dbraw/zinc/73/86/85/458738685.db2.gz MEZJJAGTAFFRJL-UHFFFAOYSA-N 0 0 347.371 3.139 10 5 EGBERN COC(=O)c1ccoc1COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471862558 458744603 /nfs/dbraw/zinc/74/46/03/458744603.db2.gz BZVOMXNLHVATFL-UHFFFAOYSA-N 0 0 328.280 3.102 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N3CCC(F)(c4ccccc4)CC3)nn21 ZINC000432833061 458796213 /nfs/dbraw/zinc/79/62/13/458796213.db2.gz URLYEDRMKIIPHF-UHFFFAOYSA-N 0 0 341.346 3.103 10 5 EGBERN Cc1sc(C(=O)N2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000456869462 458807062 /nfs/dbraw/zinc/80/70/62/458807062.db2.gz MEYMPEXHGQBDKP-CQSZACIVSA-N 0 0 326.443 3.324 10 5 EGBERN COCc1nc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)co1 ZINC000547864064 458808737 /nfs/dbraw/zinc/80/87/37/458808737.db2.gz IXIJEOFWWVHROX-UHFFFAOYSA-N 0 0 345.355 3.319 10 5 EGBERN CC(C)c1ncc(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000440661978 458839980 /nfs/dbraw/zinc/83/99/80/458839980.db2.gz KKTKMOUJZSTGAE-UHFFFAOYSA-N 0 0 326.360 3.021 10 5 EGBERN COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000457027826 458841935 /nfs/dbraw/zinc/84/19/35/458841935.db2.gz GMNABIGOWIWFGZ-NSHDSACASA-N 0 0 326.780 3.137 10 5 EGBERN CN(CCc1cccc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531627614 458948654 /nfs/dbraw/zinc/94/86/54/458948654.db2.gz BACKEBJMHLWBDO-UHFFFAOYSA-N 0 0 335.363 3.458 10 5 EGBERN CO[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000441474568 458951802 /nfs/dbraw/zinc/95/18/02/458951802.db2.gz QXGWVZKKDJLWMU-ZYHUDNBSSA-N 0 0 326.780 3.196 10 5 EGBERN Cc1nc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000531859424 458990064 /nfs/dbraw/zinc/99/00/64/458990064.db2.gz PBMMXFOMKMBELN-CYBMUJFWSA-N 0 0 335.404 3.246 10 5 EGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000531882795 458994244 /nfs/dbraw/zinc/99/42/44/458994244.db2.gz OCXBOYXTVXTVSW-MRXNPFEDSA-N 0 0 327.384 3.476 10 5 EGBERN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531881395 458994268 /nfs/dbraw/zinc/99/42/68/458994268.db2.gz VRNXCRJABIARKJ-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CCCCC1 ZINC000468345873 459015803 /nfs/dbraw/zinc/01/58/03/459015803.db2.gz LEYZAZLFRCGDER-INIZCTEOSA-N 0 0 348.443 3.365 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000476874549 459020737 /nfs/dbraw/zinc/02/07/37/459020737.db2.gz YNOBBDSRKWFTPT-GWCFXTLKSA-N 0 0 345.321 3.467 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000520111681 459033452 /nfs/dbraw/zinc/03/34/52/459033452.db2.gz LYORVZQBCRYAOU-UHFFFAOYSA-N 0 0 334.397 3.427 10 5 EGBERN CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137186 459035580 /nfs/dbraw/zinc/03/55/80/459035580.db2.gz SBUVWCREBGQLJC-CQSZACIVSA-N 0 0 329.356 3.270 10 5 EGBERN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594489301 459057409 /nfs/dbraw/zinc/05/74/09/459057409.db2.gz YHNKFTVKAHFRDW-JTQLQIEISA-N 0 0 348.371 3.087 10 5 EGBERN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000478000657 459069898 /nfs/dbraw/zinc/06/98/98/459069898.db2.gz VBKMNUYOUYRMPR-GDBMZVCRSA-N 0 0 347.415 3.246 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CCCC1 ZINC000557497013 459078338 /nfs/dbraw/zinc/07/83/38/459078338.db2.gz WLBPUEVSFSCPNG-UHFFFAOYSA-N 0 0 330.388 3.108 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000532388484 459079534 /nfs/dbraw/zinc/07/95/34/459079534.db2.gz LKFAULTXPHKWEF-VIFPVBQESA-N 0 0 337.282 3.082 10 5 EGBERN COc1cc(OCc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)ccc1[N+](=O)[O-] ZINC000594534883 459081915 /nfs/dbraw/zinc/08/19/15/459081915.db2.gz DPYQZJLVIGHAHE-CYZMBNFOSA-N 0 0 345.355 3.469 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N[C@@H](C3CC3)[C@H]3CCCCO3)c21 ZINC000594590721 459100363 /nfs/dbraw/zinc/10/03/63/459100363.db2.gz NMZNHSNOGCORIJ-ZBFHGGJFSA-N 0 0 328.372 3.298 10 5 EGBERN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591846 459100822 /nfs/dbraw/zinc/10/08/22/459100822.db2.gz MXBKHVPZSSQPFY-MELADBBJSA-N 0 0 344.415 3.053 10 5 EGBERN CC[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594603803 459107712 /nfs/dbraw/zinc/10/77/12/459107712.db2.gz VVDXWJIMRIWMKV-YOEHRIQHSA-N 0 0 347.415 3.247 10 5 EGBERN CCc1[nH]nc(C(=O)N2CC(C)(C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000590425354 459128732 /nfs/dbraw/zinc/12/87/32/459128732.db2.gz CEDADNYFFAGZRO-UHFFFAOYSA-N 0 0 328.372 3.109 10 5 EGBERN CC[C@H]1CC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000479625426 459154606 /nfs/dbraw/zinc/15/46/06/459154606.db2.gz UEEBVBFQQULEIE-CTYIDZIISA-N 0 0 342.399 3.479 10 5 EGBERN CO[C@@H](COc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC000594886752 459166958 /nfs/dbraw/zinc/16/69/58/459166958.db2.gz AHKYALWHWHNLNN-ZANVPECISA-N 0 0 335.278 3.044 10 5 EGBERN Cc1c(Br)c(=O)n(C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000594898196 459170515 /nfs/dbraw/zinc/17/05/15/459170515.db2.gz IIDXCEFMUGRXNY-MXWKQRLJSA-N 0 0 341.205 3.264 10 5 EGBERN COc1cccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1Cl ZINC000594905979 459171547 /nfs/dbraw/zinc/17/15/47/459171547.db2.gz DXQIDMDVWRUXGC-UHFFFAOYSA-N 0 0 348.786 3.346 10 5 EGBERN C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000558641442 459186711 /nfs/dbraw/zinc/18/67/11/459186711.db2.gz ZSCUJFXMHBXQKB-OLZOCXBDSA-N 0 0 344.415 3.449 10 5 EGBERN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000521905509 459191718 /nfs/dbraw/zinc/19/17/18/459191718.db2.gz PWQTXACWHCDQJW-AEFFLSMTSA-N 0 0 346.427 3.493 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCOCC23CCCCC3)c(F)c1 ZINC000590761812 459207799 /nfs/dbraw/zinc/20/77/99/459207799.db2.gz RPGBHWXYROROMO-UHFFFAOYSA-N 0 0 326.343 3.408 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000558958114 459225053 /nfs/dbraw/zinc/22/50/53/459225053.db2.gz AOBJVCAUFAXWJA-JTQLQIEISA-N 0 0 346.355 3.161 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cccc2c1CN(C)C2=O ZINC000595049992 459227793 /nfs/dbraw/zinc/22/77/93/459227793.db2.gz DSZJODNAHITNTR-NSHDSACASA-N 0 0 341.367 3.362 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3c(c2)CCC3)c1 ZINC000522333571 459239041 /nfs/dbraw/zinc/23/90/41/459239041.db2.gz FMTXSDHTLGUSKE-UHFFFAOYSA-N 0 0 327.336 3.449 10 5 EGBERN CCc1ccc(C(=O)NC[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000481337873 459246111 /nfs/dbraw/zinc/24/61/11/459246111.db2.gz OMUVOYJHEZKBDJ-SFHVURJKSA-N 0 0 334.416 3.218 10 5 EGBERN COc1cccc([C@@H]2CN(c3cc(C)ccc3[N+](=O)[O-])CCO2)c1 ZINC000481819541 459275337 /nfs/dbraw/zinc/27/53/37/459275337.db2.gz ZIVUEHDMZGXNDP-SFHVURJKSA-N 0 0 328.368 3.490 10 5 EGBERN CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000523417814 459299090 /nfs/dbraw/zinc/29/90/90/459299090.db2.gz TWVSYAYJUUIWIR-QWRGUYRKSA-N 0 0 332.447 3.246 10 5 EGBERN C[C@@]1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC=CCC1 ZINC000560314114 459321221 /nfs/dbraw/zinc/32/12/21/459321221.db2.gz KTMMEUDOAABDPX-GOSISDBHSA-N 0 0 327.384 3.481 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000523757261 459330087 /nfs/dbraw/zinc/33/00/87/459330087.db2.gz AKCPXPMWBZBUOW-CYBMUJFWSA-N 0 0 340.445 3.493 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000560540772 459369485 /nfs/dbraw/zinc/36/94/85/459369485.db2.gz UHLYQCVTBNCWCA-WHCBVINPSA-N 0 0 342.399 3.106 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC/C=C/c1ccccc1 ZINC000540835217 459391496 /nfs/dbraw/zinc/39/14/96/459391496.db2.gz KSJWIMRIMDHSGJ-QPJJXVBHSA-N 0 0 335.363 3.379 10 5 EGBERN CNc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000525164373 459422415 /nfs/dbraw/zinc/42/24/15/459422415.db2.gz ALSANXCVMDJKMO-HNNXBMFYSA-N 0 0 347.415 3.200 10 5 EGBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000484682502 459426398 /nfs/dbraw/zinc/42/63/98/459426398.db2.gz TZPIQYVITXYQGO-IBGZPJMESA-N 0 0 342.370 3.467 10 5 EGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](CCF)C3)n2)c1 ZINC000595755548 459427784 /nfs/dbraw/zinc/42/77/84/459427784.db2.gz NUGSEWYXTWKZSK-GFCCVEGCSA-N 0 0 334.351 3.216 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595760352 459429478 /nfs/dbraw/zinc/42/94/78/459429478.db2.gz QLFSLBNMEWFGJK-SFHVURJKSA-N 0 0 346.358 3.186 10 5 EGBERN CCOc1cc(CN2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000595845185 459462346 /nfs/dbraw/zinc/46/23/46/459462346.db2.gz LFLCXAFHFOCMHR-UHFFFAOYSA-N 0 0 344.367 3.094 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H](C4CC4)C3)o2)cc1 ZINC000485714871 459467187 /nfs/dbraw/zinc/46/71/87/459467187.db2.gz FOUOKUPTBXWIAL-SFHVURJKSA-N 0 0 328.368 3.466 10 5 EGBERN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889129 459475210 /nfs/dbraw/zinc/47/52/10/459475210.db2.gz HFRUTTNJYQRWIN-VHSXEESVSA-N 0 0 336.285 3.276 10 5 EGBERN O=C(CC[C@@H]1CCCCO1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561771245 459482864 /nfs/dbraw/zinc/48/28/64/459482864.db2.gz UKRUMYPIZVOGND-HNNXBMFYSA-N 0 0 345.399 3.084 10 5 EGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1Oc1ccccc1 ZINC000486021616 459484651 /nfs/dbraw/zinc/48/46/51/459484651.db2.gz YNHYEXNLWPRSEP-INMHGKMJSA-N 0 0 329.356 3.027 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596003282 459493699 /nfs/dbraw/zinc/49/36/99/459493699.db2.gz QHBINXXAFBUPPH-UHFFFAOYSA-N 0 0 343.387 3.243 10 5 EGBERN CCOC(=O)Cc1ccc(N[C@@H]2CCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000591950317 459496278 /nfs/dbraw/zinc/49/62/78/459496278.db2.gz HMODAHCTWFKFMY-ZIAGYGMSSA-N 0 0 336.388 3.070 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000591972521 459500734 /nfs/dbraw/zinc/50/07/34/459500734.db2.gz RECNIGGEJDQMNL-NWDGAFQWSA-N 0 0 338.371 3.399 10 5 EGBERN CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000591988562 459506131 /nfs/dbraw/zinc/50/61/31/459506131.db2.gz USPREXPCTKZSOY-OKILXGFUSA-N 0 0 349.431 3.491 10 5 EGBERN CCOC(=O)c1ccnc(N2CC3(CC=CC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000591992977 459507601 /nfs/dbraw/zinc/50/76/01/459507601.db2.gz JIEFVJPVRZTFII-OAHLLOKOSA-N 0 0 345.399 3.348 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000596092929 459517351 /nfs/dbraw/zinc/51/73/51/459517351.db2.gz YBKDJTJUFNWMQW-VIFPVBQESA-N 0 0 328.752 3.016 10 5 EGBERN COc1cc(NCc2nccn2CC(F)(F)F)c([N+](=O)[O-])cc1C ZINC000596110051 459524523 /nfs/dbraw/zinc/52/45/23/459524523.db2.gz IRJPZRXBUYHICP-UHFFFAOYSA-N 0 0 344.293 3.283 10 5 EGBERN Cc1sc(S(=O)(=O)N2CCCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592112971 459526784 /nfs/dbraw/zinc/52/67/84/459526784.db2.gz LXRSFATWKPZBBB-LBPRGKRZSA-N 0 0 344.458 3.308 10 5 EGBERN CCC(CC)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124430 459528950 /nfs/dbraw/zinc/52/89/50/459528950.db2.gz WMGOORPRDRGDCI-LBPRGKRZSA-N 0 0 344.795 3.244 10 5 EGBERN COC(=O)C[C@H](C)Sc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596128863 459531169 /nfs/dbraw/zinc/53/11/69/459531169.db2.gz PCYZLZVZFJYPDC-ZETCQYMHSA-N 0 0 347.776 3.079 10 5 EGBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCS1 ZINC000596145046 459536068 /nfs/dbraw/zinc/53/60/68/459536068.db2.gz PQGOHHWRFWLGRG-SECBINFHSA-N 0 0 344.820 3.367 10 5 EGBERN CCN(CC)C(=O)CSc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596172047 459546650 /nfs/dbraw/zinc/54/66/50/459546650.db2.gz ILBXCHJOXOTOTI-UHFFFAOYSA-N 0 0 332.809 3.217 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1NCCC1CCS(=O)(=O)CC1 ZINC000596177773 459549337 /nfs/dbraw/zinc/54/93/37/459549337.db2.gz GIVDFBJQTTWFKI-UHFFFAOYSA-N 0 0 348.371 3.159 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592210843 459550681 /nfs/dbraw/zinc/55/06/81/459550681.db2.gz FBNYHQARAWNXMM-MRXNPFEDSA-N 0 0 347.415 3.378 10 5 EGBERN Cn1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1C1CCC1 ZINC000596188772 459555436 /nfs/dbraw/zinc/55/54/36/459555436.db2.gz ADMUTTBKDDQJLD-UHFFFAOYSA-N 0 0 325.781 3.190 10 5 EGBERN CC[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000596204475 459559590 /nfs/dbraw/zinc/55/95/90/459559590.db2.gz WZUNGWWIYGGUHT-HNNXBMFYSA-N 0 0 342.779 3.040 10 5 EGBERN Cc1ccccc1C[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596212431 459561722 /nfs/dbraw/zinc/56/17/22/459561722.db2.gz GNUKJCKLZACWEY-ZDUSSCGKSA-N 0 0 327.384 3.070 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596224868 459567390 /nfs/dbraw/zinc/56/73/90/459567390.db2.gz JCJAHRYEVNGHOF-MQMHXKEQSA-N 0 0 325.368 3.360 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000596233155 459569130 /nfs/dbraw/zinc/56/91/30/459569130.db2.gz YUOGFWFAXWGYBD-HAQNSBGRSA-N 0 0 347.806 3.295 10 5 EGBERN CCc1cc(N2CC[C@@H]2C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596247269 459573761 /nfs/dbraw/zinc/57/37/61/459573761.db2.gz JMCASFUSJMHUGN-CYBMUJFWSA-N 0 0 334.326 3.458 10 5 EGBERN CC1(C)CCC[C@H]1[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289158 459585810 /nfs/dbraw/zinc/58/58/10/459585810.db2.gz WHGTZGBGAYLCNP-WFASDCNBSA-N 0 0 331.416 3.346 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@@H]1CCOC1 ZINC000596318725 459594443 /nfs/dbraw/zinc/59/44/43/459594443.db2.gz QCHMPNBPQVIDBS-MLGOLLRUSA-N 0 0 338.404 3.236 10 5 EGBERN CCc1cc(N2CC(CCOC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596358525 459607437 /nfs/dbraw/zinc/60/74/37/459607437.db2.gz WWONQEWUUUZJEA-UHFFFAOYSA-N 0 0 342.399 3.087 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000596366578 459609511 /nfs/dbraw/zinc/60/95/11/459609511.db2.gz CMDLCOXABQVMJL-YWPYICTPSA-N 0 0 326.368 3.020 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000596366580 459609605 /nfs/dbraw/zinc/60/96/05/459609605.db2.gz CMDLCOXABQVMJL-ZOWXZIJZSA-N 0 0 326.368 3.020 10 5 EGBERN COc1ccc(OCCSCCO[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000596400765 459623656 /nfs/dbraw/zinc/62/36/56/459623656.db2.gz OYVXOFZLROQZRT-ZDUSSCGKSA-N 0 0 349.355 3.140 10 5 EGBERN CC(C)N(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(C)(C)C1 ZINC000562698196 459625512 /nfs/dbraw/zinc/62/55/12/459625512.db2.gz QWPVZISETCEIRN-UHFFFAOYSA-N 0 0 334.372 3.363 10 5 EGBERN CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262761 459630840 /nfs/dbraw/zinc/63/08/40/459630840.db2.gz IIAHDWPVSMWKOI-ZDUSSCGKSA-N 0 0 347.793 3.410 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@H](OC)C2CCC2)c1 ZINC000596419583 459631593 /nfs/dbraw/zinc/63/15/93/459631593.db2.gz VAYZCPYNKQSQFI-HNNXBMFYSA-N 0 0 339.413 3.430 10 5 EGBERN Cc1nc(N2CC3(CCOCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000596445718 459638779 /nfs/dbraw/zinc/63/87/79/459638779.db2.gz HJQZPBMEUYDRJP-MRXNPFEDSA-N 0 0 329.356 3.249 10 5 EGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H](C)C1=O ZINC000596448122 459639898 /nfs/dbraw/zinc/63/98/98/459639898.db2.gz VOPRXEONMBQCQW-VXGBXAGGSA-N 0 0 343.358 3.457 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527453703 459642810 /nfs/dbraw/zinc/64/28/10/459642810.db2.gz KKAMDNHNDFDFBI-JOYOIKCWSA-N 0 0 331.294 3.077 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527453702 459642869 /nfs/dbraw/zinc/64/28/69/459642869.db2.gz KKAMDNHNDFDFBI-CABZTGNLSA-N 0 0 331.294 3.077 10 5 EGBERN C[C@H](C(=O)N1CCOC[C@H]1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000584075682 459647020 /nfs/dbraw/zinc/64/70/20/459647020.db2.gz RCOQSPCVXJJJCS-SUMWQHHRSA-N 0 0 332.400 3.116 10 5 EGBERN Cc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596469680 459647192 /nfs/dbraw/zinc/64/71/92/459647192.db2.gz OKQUNKZJAOBCHS-UWVGGRQHSA-N 0 0 332.322 3.375 10 5 EGBERN COC(=O)C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000596494059 459655867 /nfs/dbraw/zinc/65/58/67/459655867.db2.gz WVSKVRMVZICKFJ-SNVBAGLBSA-N 0 0 344.314 3.197 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCC2 ZINC000596493053 459655978 /nfs/dbraw/zinc/65/59/78/459655978.db2.gz GHCWMYXTKBTJAV-CABCVRRESA-N 0 0 349.431 3.208 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000596502772 459658944 /nfs/dbraw/zinc/65/89/44/459658944.db2.gz IRWAIDLPFPGXQH-YOEHRIQHSA-N 0 0 348.399 3.167 10 5 EGBERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000596514021 459662830 /nfs/dbraw/zinc/66/28/30/459662830.db2.gz FDFIMIYMEANBHY-VOMCLLRMSA-N 0 0 344.408 3.327 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000596515517 459663201 /nfs/dbraw/zinc/66/32/01/459663201.db2.gz ZDAKZICVDKFZOE-BXKDBHETSA-N 0 0 347.293 3.168 10 5 EGBERN O=c1[nH]c(N2CCC[C@H](C3CCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596525167 459665894 /nfs/dbraw/zinc/66/58/94/459665894.db2.gz JSJYZFICWWGORK-LBPRGKRZSA-N 0 0 328.372 3.260 10 5 EGBERN Cc1cc(N2CC[C@@H]3COC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000596529995 459667601 /nfs/dbraw/zinc/66/76/01/459667601.db2.gz SOMVEWWPRVHYMU-GHMZBOCLSA-N 0 0 341.205 3.138 10 5 EGBERN O=C(c1ccccc1)c1ccc(N2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000596530313 459667862 /nfs/dbraw/zinc/66/78/62/459667862.db2.gz NVSPJBMJCUBMHT-UHFFFAOYSA-N 0 0 338.363 3.053 10 5 EGBERN Cc1cccc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596544991 459672239 /nfs/dbraw/zinc/67/22/39/459672239.db2.gz UNZPKSJJGNNWDP-MRXNPFEDSA-N 0 0 325.368 3.492 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Cl)c3)CCC2)n1 ZINC000592716942 459674866 /nfs/dbraw/zinc/67/48/66/459674866.db2.gz DKAFMCYRADVSQC-UHFFFAOYSA-N 0 0 348.790 3.274 10 5 EGBERN CCOC(=O)c1cc(N[C@@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596567739 459679316 /nfs/dbraw/zinc/67/93/16/459679316.db2.gz VMVXMUZREPKDSU-SJKOYZFVSA-N 0 0 344.367 3.306 10 5 EGBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@](C)(C(F)F)O1 ZINC000596570631 459680440 /nfs/dbraw/zinc/68/04/40/459680440.db2.gz ANLDBMMWXYBWLZ-QFYYESIMSA-N 0 0 341.358 3.118 10 5 EGBERN C[C@]1(C(F)F)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596573092 459682350 /nfs/dbraw/zinc/68/23/50/459682350.db2.gz UCWFZDKNAAVFEF-GFCCVEGCSA-N 0 0 340.248 3.474 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)c1 ZINC000596590669 459687797 /nfs/dbraw/zinc/68/77/97/459687797.db2.gz DCWNSLRJFVUVIY-HONMWMINSA-N 0 0 329.356 3.481 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)c1 ZINC000596590671 459687954 /nfs/dbraw/zinc/68/79/54/459687954.db2.gz DCWNSLRJFVUVIY-ZLKJLUDKSA-N 0 0 329.356 3.481 10 5 EGBERN C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000592818125 459697459 /nfs/dbraw/zinc/69/74/59/459697459.db2.gz BXWPJICWCCHZLF-OCCSQVGLSA-N 0 0 348.399 3.035 10 5 EGBERN Cc1nc(-c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)[nH]c1C ZINC000596621051 459701380 /nfs/dbraw/zinc/70/13/80/459701380.db2.gz RCELUGYKXVPUAU-QWHCGFSZSA-N 0 0 325.328 3.256 10 5 EGBERN O=C([C@@H]1CCCC2(CC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596652058 459714722 /nfs/dbraw/zinc/71/47/22/459714722.db2.gz XLHFARLEFJDFMB-OAHLLOKOSA-N 0 0 343.427 3.214 10 5 EGBERN Cc1n[nH]c(C(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592901544 459716881 /nfs/dbraw/zinc/71/68/81/459716881.db2.gz LVJASTDYZPJZOW-INIZCTEOSA-N 0 0 338.367 3.160 10 5 EGBERN CNc1ccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592901609 459717236 /nfs/dbraw/zinc/71/72/36/459717236.db2.gz LPDRRGYSYFGRJC-MRXNPFEDSA-N 0 0 329.400 3.453 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000592903528 459717343 /nfs/dbraw/zinc/71/73/43/459717343.db2.gz UXFMLKZWUCBUQQ-HNNXBMFYSA-N 0 0 332.404 3.258 10 5 EGBERN CCOc1cc(NC(=O)N2CC3CC2(C)C3)c([N+](=O)[O-])cc1OCC ZINC000596659706 459718328 /nfs/dbraw/zinc/71/83/28/459718328.db2.gz QIMNYFNLEKPZHD-UHFFFAOYSA-N 0 0 349.387 3.408 10 5 EGBERN Cc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000592938841 459720430 /nfs/dbraw/zinc/72/04/30/459720430.db2.gz FMWAKZAPZUBFRB-QWHCGFSZSA-N 0 0 348.399 3.143 10 5 EGBERN COc1cc(C(=O)NC[C@H]2CC3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000563175134 459730039 /nfs/dbraw/zinc/73/00/39/459730039.db2.gz JOBLZUNSVIQVCT-HTAVTVPLSA-N 0 0 336.363 3.299 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000593020562 459742433 /nfs/dbraw/zinc/74/24/33/459742433.db2.gz OQAYHYRMEAGBJO-LBPRGKRZSA-N 0 0 344.367 3.241 10 5 EGBERN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000596744618 459750025 /nfs/dbraw/zinc/75/00/25/459750025.db2.gz QXXCUUCRHJJUEX-JTQLQIEISA-N 0 0 334.401 3.347 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000544447813 459761605 /nfs/dbraw/zinc/76/16/05/459761605.db2.gz FMYCQZZYXFIKFV-KRWDZBQOSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000593110173 459776196 /nfs/dbraw/zinc/77/61/96/459776196.db2.gz DVVXWMWBTBWBBK-UHFFFAOYSA-N 0 0 330.306 3.170 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000596840975 459776219 /nfs/dbraw/zinc/77/62/19/459776219.db2.gz BKCWGZSEKZRLLR-CYBMUJFWSA-N 0 0 333.388 3.469 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000593134070 459784088 /nfs/dbraw/zinc/78/40/88/459784088.db2.gz GZUQMMWKYHXKAB-UHFFFAOYSA-N 0 0 340.354 3.350 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000593138879 459785869 /nfs/dbraw/zinc/78/58/69/459785869.db2.gz VEPALUGEWAVABM-VIFPVBQESA-N 0 0 334.269 3.077 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000596899861 459790712 /nfs/dbraw/zinc/79/07/12/459790712.db2.gz WVRQLPJLFVWVOR-SGTLLEGYSA-N 0 0 349.431 3.375 10 5 EGBERN Cn1ncc2ccc(-c3noc(Cc4cccc([N+](=O)[O-])c4)n3)cc21 ZINC000544991552 459796098 /nfs/dbraw/zinc/79/60/98/459796098.db2.gz OUTDFIGZKSRIQM-UHFFFAOYSA-N 0 0 335.323 3.122 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593218647 459810773 /nfs/dbraw/zinc/81/07/73/459810773.db2.gz RJCAGCSPBKQOLV-QGZVFWFLSA-N 0 0 347.415 3.484 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593219061 459810859 /nfs/dbraw/zinc/81/08/59/459810859.db2.gz WYQBEQVVGWRSBM-CQSZACIVSA-N 0 0 325.315 3.420 10 5 EGBERN Cc1cc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc([N+](=O)[O-])c1 ZINC000593244810 459818674 /nfs/dbraw/zinc/81/86/74/459818674.db2.gz PMVHCZWPRBHBPC-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593244141 459818708 /nfs/dbraw/zinc/81/87/08/459818708.db2.gz LQTAUBOXHNLPRM-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094163 459836547 /nfs/dbraw/zinc/83/65/47/459836547.db2.gz MKOAFKBERASZDS-RKDXNWHRSA-N 0 0 326.784 3.340 10 5 EGBERN Nc1c(NC(=O)N[C@H]2CCCC2(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597093904 459836751 /nfs/dbraw/zinc/83/67/51/459836751.db2.gz ZUYDKUWFLUSEMK-VIFPVBQESA-N 0 0 334.710 3.140 10 5 EGBERN CO[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)(C)C ZINC000597105911 459837335 /nfs/dbraw/zinc/83/73/35/459837335.db2.gz ZNHGSVMQYIKJTI-LLVKDONJSA-N 0 0 344.799 3.013 10 5 EGBERN CCn1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593310575 459837042 /nfs/dbraw/zinc/83/70/42/459837042.db2.gz ROXOKPZEOBBMRF-UHFFFAOYSA-N 0 0 330.388 3.170 10 5 EGBERN CCCC[C@H](COC)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104575 459837299 /nfs/dbraw/zinc/83/72/99/459837299.db2.gz RNAJENPXMLWQAU-SNVBAGLBSA-N 0 0 344.799 3.157 10 5 EGBERN CC[C@](C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000598252062 459840540 /nfs/dbraw/zinc/84/05/40/459840540.db2.gz ZJBSDJZPPNVNSY-KRWDZBQOSA-N 0 0 328.372 3.089 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C12CCC2 ZINC000598296650 459852524 /nfs/dbraw/zinc/85/25/24/459852524.db2.gz NMTRBDWWPNITIS-UONOGXRCSA-N 0 0 347.415 3.033 10 5 EGBERN COc1cc(Cc2noc(CCc3ccc(C)o3)n2)ccc1[N+](=O)[O-] ZINC000545776084 459854072 /nfs/dbraw/zinc/85/40/72/459854072.db2.gz FPTSTOCUAXIMQC-UHFFFAOYSA-N 0 0 343.339 3.264 10 5 EGBERN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593348576 459855830 /nfs/dbraw/zinc/85/58/30/459855830.db2.gz OZPIPKXLTCIETE-KRWDZBQOSA-N 0 0 349.431 3.128 10 5 EGBERN CO[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000597180118 459864366 /nfs/dbraw/zinc/86/43/66/459864366.db2.gz OSJGTYTXXNAPEN-CQSZACIVSA-N 0 0 347.396 3.472 10 5 EGBERN COCCC1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597182944 459866546 /nfs/dbraw/zinc/86/65/46/459866546.db2.gz FSOJRUZEUSPBKJ-UHFFFAOYSA-N 0 0 333.413 3.187 10 5 EGBERN CCOc1cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000586777532 459870789 /nfs/dbraw/zinc/87/07/89/459870789.db2.gz QXJVUXGLOPZJKX-YGRLFVJLSA-N 0 0 348.321 3.145 10 5 EGBERN CC(C)(C(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000598340787 459872265 /nfs/dbraw/zinc/87/22/65/459872265.db2.gz LRNIKNCPRVOYLY-GFCCVEGCSA-N 0 0 344.333 3.419 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000598352672 459876250 /nfs/dbraw/zinc/87/62/50/459876250.db2.gz PUDFZJBBDAPFQO-MSOLQXFVSA-N 0 0 342.395 3.391 10 5 EGBERN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000598382221 459884029 /nfs/dbraw/zinc/88/40/29/459884029.db2.gz VNMLERHXBBPEFP-CYBMUJFWSA-N 0 0 328.315 3.361 10 5 EGBERN CC(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598380510 459884171 /nfs/dbraw/zinc/88/41/71/459884171.db2.gz HEPXPCYXBZALFV-UHFFFAOYSA-N 0 0 329.400 3.478 10 5 EGBERN CC(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(C1CC1)C1CC1 ZINC000598382236 459884569 /nfs/dbraw/zinc/88/45/69/459884569.db2.gz WOGCOOLFRWEKJA-UHFFFAOYSA-N 0 0 327.384 3.314 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cc3n(n2)CCC3)c(C(F)(F)F)c1 ZINC000593424298 459885779 /nfs/dbraw/zinc/88/57/79/459885779.db2.gz XVBCFLWRDGLPLP-UHFFFAOYSA-N 0 0 327.262 3.335 10 5 EGBERN CCOc1ccc([C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587079480 459891204 /nfs/dbraw/zinc/89/12/04/459891204.db2.gz UCTAGMFZEJMORI-LLVKDONJSA-N 0 0 331.372 3.241 10 5 EGBERN Nc1cc(NCCCSc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587110505 459891469 /nfs/dbraw/zinc/89/14/69/459891469.db2.gz BXRIQBCTWVLLPS-UHFFFAOYSA-N 0 0 333.413 3.264 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@]12CCC[C@H]1OCC2 ZINC000602310101 459891706 /nfs/dbraw/zinc/89/17/06/459891706.db2.gz DCZYYXCCRDBSKG-PBHICJAKSA-N 0 0 327.340 3.041 10 5 EGBERN CC(C)COc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587416149 459892489 /nfs/dbraw/zinc/89/24/89/459892489.db2.gz QBZXPLBTCUQJDS-UHFFFAOYSA-N 0 0 345.399 3.316 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@H](CC(F)(F)F)C1 ZINC000597243996 459893472 /nfs/dbraw/zinc/89/34/72/459893472.db2.gz QIRDMIODGCIOQJ-HSBHDXMMSA-N 0 0 330.306 3.261 10 5 EGBERN CC(C)(C)n1ncnc1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593473421 459899870 /nfs/dbraw/zinc/89/98/70/459899870.db2.gz DFAGCFSHJHWVIB-UHFFFAOYSA-N 0 0 326.360 3.102 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000593473592 459900190 /nfs/dbraw/zinc/90/01/90/459900190.db2.gz SYRWWIOTIDLRBU-ZDUSSCGKSA-N 0 0 343.774 3.444 10 5 EGBERN CC(C)(C)c1nnc(CNc2ccnc3cc([N+](=O)[O-])ccc32)[nH]1 ZINC000593482460 459902661 /nfs/dbraw/zinc/90/26/61/459902661.db2.gz PTSLDRYCNKFWMH-UHFFFAOYSA-N 0 0 326.360 3.171 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000593483453 459902750 /nfs/dbraw/zinc/90/27/50/459902750.db2.gz WYJRNYPDMSKHDD-MAUKXSAKSA-N 0 0 327.384 3.352 10 5 EGBERN CCc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000598460458 459903160 /nfs/dbraw/zinc/90/31/60/459903160.db2.gz YWAGESBDNLNYHL-BPQIPLTHSA-N 0 0 340.354 3.364 10 5 EGBERN COc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000593488707 459903994 /nfs/dbraw/zinc/90/39/94/459903994.db2.gz DFQJTBNZQWFYBG-UHFFFAOYSA-N 0 0 334.269 3.474 10 5 EGBERN C/C(=C\c1ccccc1)CN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588033056 459904578 /nfs/dbraw/zinc/90/45/78/459904578.db2.gz WSDRJRGOUHVHOQ-MDWZMJQESA-N 0 0 327.384 3.209 10 5 EGBERN Cc1ccc(NCCCNC(=O)C[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000597283967 459904664 /nfs/dbraw/zinc/90/46/64/459904664.db2.gz XPHYDXNDQJNRDX-WMLDXEAASA-N 0 0 349.431 3.027 10 5 EGBERN O=[N+]([O-])c1ccc2nc(N[C@@H](C3CC3)C3CCOCC3)ccc2c1 ZINC000593491889 459905682 /nfs/dbraw/zinc/90/56/82/459905682.db2.gz LEVAQHMDQFBXNZ-SFHVURJKSA-N 0 0 327.384 3.182 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000546273726 459906861 /nfs/dbraw/zinc/90/68/61/459906861.db2.gz NLYSNBYFVFUPIO-UHFFFAOYSA-N 0 0 339.307 3.391 10 5 EGBERN C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000593505169 459908249 /nfs/dbraw/zinc/90/82/49/459908249.db2.gz YGTKICRLPUJKOO-KOLCDFICSA-N 0 0 349.416 3.017 10 5 EGBERN CC(C)(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532849 459916960 /nfs/dbraw/zinc/91/69/60/459916960.db2.gz ZVWAOOZWWXRHPD-OAHLLOKOSA-N 0 0 349.412 3.056 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000598506115 459924319 /nfs/dbraw/zinc/92/43/19/459924319.db2.gz DNWYDRZLASHNBP-CMPLNLGQSA-N 0 0 346.305 3.085 10 5 EGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCC1(F)F ZINC000588180136 459926388 /nfs/dbraw/zinc/92/63/88/459926388.db2.gz JUZXXENKENPSFD-LBPRGKRZSA-N 0 0 348.733 3.321 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000598509976 459926512 /nfs/dbraw/zinc/92/65/12/459926512.db2.gz VSRDQQCUAWCYND-WDEREUQCSA-N 0 0 346.305 3.085 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000598579091 459948703 /nfs/dbraw/zinc/94/87/03/459948703.db2.gz WIRBEZAPSDSLKS-GFCCVEGCSA-N 0 0 326.352 3.411 10 5 EGBERN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CC(F)(F)F ZINC000598582267 459952054 /nfs/dbraw/zinc/95/20/54/459952054.db2.gz WENRXZJTSZSXPB-UHFFFAOYSA-N 0 0 348.277 3.032 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](O)CC12CCC2 ZINC000575241517 459956348 /nfs/dbraw/zinc/95/63/48/459956348.db2.gz TWUFPRHJILXQDL-NSHDSACASA-N 0 0 339.779 3.160 10 5 EGBERN COC(=O)c1ccnc(N[C@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000598598605 459959516 /nfs/dbraw/zinc/95/95/16/459959516.db2.gz CRSPVWLIAVPXFI-SNVBAGLBSA-N 0 0 333.344 3.111 10 5 EGBERN COCC1(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000575407577 459970150 /nfs/dbraw/zinc/97/01/50/459970150.db2.gz SRSFNEIGCSODBU-UHFFFAOYSA-N 0 0 346.305 3.160 10 5 EGBERN Cc1cc(NCC[C@@H]2CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598635094 459972063 /nfs/dbraw/zinc/97/20/63/459972063.db2.gz BAYXVVPYVYVOCU-GFCCVEGCSA-N 0 0 334.326 3.239 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000593764244 459978901 /nfs/dbraw/zinc/97/89/01/459978901.db2.gz ZTYGNYSEXSNBSQ-AWEZNQCLSA-N 0 0 340.383 3.370 10 5 EGBERN CC[C@H](OCCNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000593787257 459985902 /nfs/dbraw/zinc/98/59/02/459985902.db2.gz PYQJZSPZRZLTTK-INIZCTEOSA-N 0 0 343.383 3.075 10 5 EGBERN Cn1ccnc1[C@H](NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677220 459987851 /nfs/dbraw/zinc/98/78/51/459987851.db2.gz NGDDOYIYPUVMLS-TZMCWYRMSA-N 0 0 336.342 3.053 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1occ2c1CCC2 ZINC000588937428 460009056 /nfs/dbraw/zinc/00/90/56/460009056.db2.gz VFVYWPIANVDNBF-UHFFFAOYSA-N 0 0 339.351 3.130 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000597630651 460012482 /nfs/dbraw/zinc/01/24/82/460012482.db2.gz FMKXLKWVAQJXJY-BRPSZJMVSA-N 0 0 325.162 3.342 10 5 EGBERN O=C(CN1CCC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977667 460014746 /nfs/dbraw/zinc/01/47/46/460014746.db2.gz GCXYAIVFMCPIDI-GFCCVEGCSA-N 0 0 337.807 3.309 10 5 EGBERN Cc1cc(C(=O)NCC[C@@H]2CCc3ccccc3N2)cc([N+](=O)[O-])c1 ZINC000593915942 460017025 /nfs/dbraw/zinc/01/70/25/460017025.db2.gz LWKLOLCNKWSJDM-INIZCTEOSA-N 0 0 339.395 3.450 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC2(CCCC2)C1 ZINC000614121220 460020357 /nfs/dbraw/zinc/02/03/57/460020357.db2.gz MFELNSOBPQWWAA-UHFFFAOYSA-N 0 0 343.383 3.109 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 ZINC000609796773 460020594 /nfs/dbraw/zinc/02/05/94/460020594.db2.gz QYLASJMJVSGKLY-NSHDSACASA-N 0 0 334.326 3.206 10 5 EGBERN CC(C)(C)c1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000589102683 460030026 /nfs/dbraw/zinc/03/00/26/460030026.db2.gz FCUQHTDZGJUBBR-UHFFFAOYSA-N 0 0 341.415 3.009 10 5 EGBERN COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc1OC ZINC000609893375 460037542 /nfs/dbraw/zinc/03/75/42/460037542.db2.gz AOEUKSUYHMABIZ-UHFFFAOYSA-N 0 0 337.763 3.297 10 5 EGBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCO1 ZINC000598825964 460054427 /nfs/dbraw/zinc/05/44/27/460054427.db2.gz AYVISUDSYJPHNJ-XHDPSFHLSA-N 0 0 329.356 3.287 10 5 EGBERN CC(C)[C@@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610051267 460056826 /nfs/dbraw/zinc/05/68/26/460056826.db2.gz FBLMJYOZEQGDTL-NSHDSACASA-N 0 0 328.796 3.425 10 5 EGBERN CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000598829596 460056903 /nfs/dbraw/zinc/05/69/03/460056903.db2.gz ZMVFJEMUCBHMOH-RTHLEPHNSA-N 0 0 344.289 3.367 10 5 EGBERN Cc1c(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594057364 460078920 /nfs/dbraw/zinc/07/89/20/460078920.db2.gz ZBIWOUPRJKHZFJ-HZPDHXFCSA-N 0 0 333.388 3.372 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598883140 460082785 /nfs/dbraw/zinc/08/27/85/460082785.db2.gz SFNQUCJORPDUBD-NSHDSACASA-N 0 0 338.791 3.422 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc(OC(C)C)n2)c1 ZINC000594067355 460084682 /nfs/dbraw/zinc/08/46/82/460084682.db2.gz KQAMZVAGMPNUNQ-UHFFFAOYSA-N 0 0 348.384 3.146 10 5 EGBERN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000597864828 460085390 /nfs/dbraw/zinc/08/53/90/460085390.db2.gz PJTHGGBUPCUZKL-UHOFOFEASA-N 0 0 325.368 3.013 10 5 EGBERN CC(C)(C(=O)N1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000594070553 460085876 /nfs/dbraw/zinc/08/58/76/460085876.db2.gz ZNBOTSQHKYFLQA-UHFFFAOYSA-N 0 0 325.368 3.247 10 5 EGBERN CC(C)CCc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000597870536 460088667 /nfs/dbraw/zinc/08/86/67/460088667.db2.gz OHXOPKYGBKJNPN-UHFFFAOYSA-N 0 0 334.401 3.216 10 5 EGBERN CC(C)(C(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594073929 460088719 /nfs/dbraw/zinc/08/87/19/460088719.db2.gz UWBZEFFXAVUADE-IAGOWNOFSA-N 0 0 346.427 3.336 10 5 EGBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1C2CCCC1CCC2 ZINC000610235897 460090900 /nfs/dbraw/zinc/09/09/00/460090900.db2.gz HOKMULCVVITVMY-UHFFFAOYSA-N 0 0 340.383 3.328 10 5 EGBERN CCOc1ccc(C(=O)N[C@@](C)(CC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000610247524 460096406 /nfs/dbraw/zinc/09/64/06/460096406.db2.gz WWIKLWOCKATLPQ-ZDUSSCGKSA-N 0 0 334.294 3.454 10 5 EGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000610266992 460101682 /nfs/dbraw/zinc/10/16/82/460101682.db2.gz YGGGODBXPTXRBL-OAHLLOKOSA-N 0 0 346.408 3.415 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000598960851 460104096 /nfs/dbraw/zinc/10/40/96/460104096.db2.gz GLYYQAJWWNYXGK-KRWDZBQOSA-N 0 0 340.383 3.330 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597919746 460111223 /nfs/dbraw/zinc/11/12/23/460111223.db2.gz PLWPNKIYJORGJN-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000598978558 460112713 /nfs/dbraw/zinc/11/27/13/460112713.db2.gz HCWNYUAVSUVZES-QGZVFWFLSA-N 0 0 340.383 3.330 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164253 460135115 /nfs/dbraw/zinc/13/51/15/460135115.db2.gz HNXQPKRLYBTGTQ-ZYHUDNBSSA-N 0 0 346.305 3.133 10 5 EGBERN Cc1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000594164466 460135531 /nfs/dbraw/zinc/13/55/31/460135531.db2.gz JAFDDJOUOHJGCB-ZYHUDNBSSA-N 0 0 346.305 3.133 10 5 EGBERN CCOC(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCC1 ZINC000599049475 460140929 /nfs/dbraw/zinc/14/09/29/460140929.db2.gz YCOPAVPGMHNPBZ-UHFFFAOYSA-N 0 0 329.356 3.288 10 5 EGBERN C[C@@]12COC[C@@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000618721474 460142870 /nfs/dbraw/zinc/14/28/70/460142870.db2.gz GYHSEWPORXUOFI-YCRPNKLZSA-N 0 0 332.403 3.497 10 5 EGBERN Cc1ccc(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594205499 460150504 /nfs/dbraw/zinc/15/05/04/460150504.db2.gz XFFXFFFLYDJWOV-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000594205671 460151340 /nfs/dbraw/zinc/15/13/40/460151340.db2.gz DBYCAOUPEBXLOR-CQSZACIVSA-N 0 0 346.427 3.480 10 5 EGBERN C[C@H]1COC2(CCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598053715 460156183 /nfs/dbraw/zinc/15/61/83/460156183.db2.gz IGIRIQMHRYTEEG-NSHDSACASA-N 0 0 330.340 3.125 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000598053710 460156928 /nfs/dbraw/zinc/15/69/28/460156928.db2.gz IDEZOWZLYLVDHO-ZBFHGGJFSA-N 0 0 346.427 3.334 10 5 EGBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000598063826 460157831 /nfs/dbraw/zinc/15/78/31/460157831.db2.gz JJFYSLNZLWFOOC-QGZVFWFLSA-N 0 0 344.367 3.029 10 5 EGBERN CCn1nnc(C)c1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599091702 460158230 /nfs/dbraw/zinc/15/82/30/460158230.db2.gz YNWKXVAVMQIHOR-UHFFFAOYSA-N 0 0 329.282 3.146 10 5 EGBERN CC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594280936 460179594 /nfs/dbraw/zinc/17/95/94/460179594.db2.gz QLVQEAAWPSLKCE-DLBZAZTESA-N 0 0 349.431 3.126 10 5 EGBERN Cc1cc(C(F)F)oc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000599153678 460179869 /nfs/dbraw/zinc/17/98/69/460179869.db2.gz IBUSRALXCLWARR-UHFFFAOYSA-N 0 0 339.258 3.193 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000599178931 460188805 /nfs/dbraw/zinc/18/88/05/460188805.db2.gz CFWJBFHGOZPNKH-SKDRFNHKSA-N 0 0 340.763 3.014 10 5 EGBERN C[C@H]1CC(=O)N(C)c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc21 ZINC000599183167 460191335 /nfs/dbraw/zinc/19/13/35/460191335.db2.gz XSMPWJGVDMZPFN-VIFPVBQESA-N 0 0 346.774 3.279 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(NCC3(C(F)(F)F)CCCC3)c21 ZINC000599183879 460191359 /nfs/dbraw/zinc/19/13/59/460191359.db2.gz CNRHRGNRRTYVPY-UHFFFAOYSA-N 0 0 340.305 3.495 10 5 EGBERN COC(=O)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000614655161 460194785 /nfs/dbraw/zinc/19/47/85/460194785.db2.gz XWGOODNCSJUEKG-MRXNPFEDSA-N 0 0 332.331 3.046 10 5 EGBERN O=[N+]([O-])c1ccc2ncnc(N3CC(Cc4cccs4)C3)c2c1 ZINC000599197229 460196393 /nfs/dbraw/zinc/19/63/93/460196393.db2.gz ZMXKWSMOWSZRFK-UHFFFAOYSA-N 0 0 326.381 3.278 10 5 EGBERN Cc1cc(N[C@H]2CCN(C3CCC3)C2=O)c2cccc([N+](=O)[O-])c2n1 ZINC000599206488 460199284 /nfs/dbraw/zinc/19/92/84/460199284.db2.gz ONMGLIMKCOZIMF-AWEZNQCLSA-N 0 0 340.383 3.017 10 5 EGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594395773 460205109 /nfs/dbraw/zinc/20/51/09/460205109.db2.gz HSVPLWPYLQVECV-GJZGRUSLSA-N 0 0 338.791 3.326 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594400873 460205840 /nfs/dbraw/zinc/20/58/40/460205840.db2.gz IWFPQNILZHCMCH-LBPRGKRZSA-N 0 0 333.388 3.257 10 5 EGBERN C[C@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1(F)F ZINC000598213701 460206097 /nfs/dbraw/zinc/20/60/97/460206097.db2.gz CWKWNTZEPZZXJD-LLVKDONJSA-N 0 0 338.232 3.389 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000598214802 460207304 /nfs/dbraw/zinc/20/73/04/460207304.db2.gz VMIRORUVSZJORO-UWVGGRQHSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598215654 460207668 /nfs/dbraw/zinc/20/76/68/460207668.db2.gz XQCHVYABPFSCFP-MBNYWOFBSA-N 0 0 338.429 3.149 10 5 EGBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](CCF)C1 ZINC000598219690 460210239 /nfs/dbraw/zinc/21/02/39/460210239.db2.gz IZJPNXMRZOHLNB-CQSZACIVSA-N 0 0 349.406 3.407 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](CCF)C1 ZINC000598220782 460210251 /nfs/dbraw/zinc/21/02/51/460210251.db2.gz NPMSIVWQVJLWOX-NSHDSACASA-N 0 0 328.771 3.389 10 5 EGBERN CC(C)(C(=O)NCC[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598222110 460211408 /nfs/dbraw/zinc/21/14/08/460211408.db2.gz YMHFDJAADOVLJX-OAHLLOKOSA-N 0 0 326.343 3.424 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000598226297 460212583 /nfs/dbraw/zinc/21/25/83/460212583.db2.gz DFECBJBSYPMKGA-SCLBCKFNSA-N 0 0 332.400 3.001 10 5 EGBERN COC(=O)c1ccc(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000599443032 460255192 /nfs/dbraw/zinc/25/51/92/460255192.db2.gz HIDPGQBVZFCLOD-UHFFFAOYSA-N 0 0 349.774 3.062 10 5 EGBERN COc1cc(N2CC(c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000610915113 460260333 /nfs/dbraw/zinc/26/03/33/460260333.db2.gz HGDUXYHPAGNRKY-UHFFFAOYSA-N 0 0 342.330 3.223 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ncccc2C1 ZINC000611007517 460277593 /nfs/dbraw/zinc/27/75/93/460277593.db2.gz OUQXNNJCZIYAKD-UHFFFAOYSA-N 0 0 339.376 3.403 10 5 EGBERN O=c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640108 460296046 /nfs/dbraw/zinc/29/60/46/460296046.db2.gz BTBSYEFIUKONDZ-CYBMUJFWSA-N 0 0 334.763 3.081 10 5 EGBERN COc1ccc(CN2CC(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000611172817 460300929 /nfs/dbraw/zinc/30/09/29/460300929.db2.gz GPXBZIFEMYTDGX-UHFFFAOYSA-N 0 0 330.359 3.417 10 5 EGBERN C/C=C\C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690681 460312595 /nfs/dbraw/zinc/31/25/95/460312595.db2.gz PBRALZUXAWCZGA-VQTKUKTRSA-N 0 0 347.415 3.220 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599695126 460314096 /nfs/dbraw/zinc/31/40/96/460314096.db2.gz SYJNMPIIJBQMAR-UHFFFAOYSA-N 0 0 337.376 3.025 10 5 EGBERN CSc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccn1 ZINC000611238436 460314904 /nfs/dbraw/zinc/31/49/04/460314904.db2.gz HMQWSUHJVZSKDP-UHFFFAOYSA-N 0 0 328.353 3.445 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cccnc3)CC2)c1 ZINC000611256059 460319294 /nfs/dbraw/zinc/31/92/94/460319294.db2.gz IDDIDHLCWKOUPG-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN CC(C)(C)CN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829369 460343270 /nfs/dbraw/zinc/34/32/70/460343270.db2.gz GHTGSCGPHLSDCE-UHFFFAOYSA-N 0 0 346.387 3.015 10 5 EGBERN CN(C[C@@H]1CCCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829043 460343415 /nfs/dbraw/zinc/34/34/15/460343415.db2.gz BVRXDOFOCBDZGX-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834439 460344771 /nfs/dbraw/zinc/34/47/71/460344771.db2.gz JIPBNQBVQFLCRM-ZSYFIWHWSA-N 0 0 344.371 3.076 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H](O)C(C)C ZINC000599838584 460346214 /nfs/dbraw/zinc/34/62/14/460346214.db2.gz KTUSZRSJACYGPJ-CJNGLKHVSA-N 0 0 346.387 3.060 10 5 EGBERN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1(C)CCCC1 ZINC000599845562 460347542 /nfs/dbraw/zinc/34/75/42/460347542.db2.gz AXCBQQRNRDVEPT-UHFFFAOYSA-N 0 0 346.362 3.324 10 5 EGBERN CCO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000599917515 460358846 /nfs/dbraw/zinc/35/88/46/460358846.db2.gz RHSYUBRPCWVOFJ-GFCCVEGCSA-N 0 0 345.193 3.357 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000600042947 460372645 /nfs/dbraw/zinc/37/26/45/460372645.db2.gz DZKYWCBISCDWKX-AWEZNQCLSA-N 0 0 345.399 3.013 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000619516747 460372882 /nfs/dbraw/zinc/37/28/82/460372882.db2.gz FRZKBLNDNHAGRV-MGPLVRAMSA-N 0 0 326.327 3.351 10 5 EGBERN C[C@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(F)F ZINC000600101955 460381865 /nfs/dbraw/zinc/38/18/65/460381865.db2.gz HSSZPTSBKDBHPC-LLVKDONJSA-N 0 0 349.131 3.132 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C1CC1 ZINC000611514120 460384732 /nfs/dbraw/zinc/38/47/32/460384732.db2.gz ANIHNRDCOXQFJS-AWEZNQCLSA-N 0 0 337.807 3.375 10 5 EGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1-c1ccccc1 ZINC000611538550 460392657 /nfs/dbraw/zinc/39/26/57/460392657.db2.gz GIRFIGJWWDJNRR-UHFFFAOYSA-N 0 0 336.351 3.272 10 5 EGBERN COC(=O)c1ccc(CNc2ccsc2[N+](=O)[O-])nc1C1CC1 ZINC000611539724 460392737 /nfs/dbraw/zinc/39/27/37/460392737.db2.gz PSHSYVFAWCUIFS-UHFFFAOYSA-N 0 0 333.369 3.327 10 5 EGBERN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccn1C ZINC000619610870 460396576 /nfs/dbraw/zinc/39/65/76/460396576.db2.gz MAKHPXGFCOHOSR-UHFFFAOYSA-N 0 0 325.271 3.095 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000611616133 460415353 /nfs/dbraw/zinc/41/53/53/460415353.db2.gz KINGIVMYGYYJKQ-UHFFFAOYSA-N 0 0 326.299 3.212 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCCOC1 ZINC000600165514 460416064 /nfs/dbraw/zinc/41/60/64/460416064.db2.gz RBOFIQFPBWVFCM-NSHDSACASA-N 0 0 326.780 3.103 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC(C2CCOCC2)C1 ZINC000619727515 460423681 /nfs/dbraw/zinc/42/36/81/460423681.db2.gz STKGZYBTJVEJNS-UHFFFAOYSA-N 0 0 333.388 3.102 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600186962 460427134 /nfs/dbraw/zinc/42/71/34/460427134.db2.gz WCQVVVPBCFYMCT-GFCCVEGCSA-N 0 0 347.321 3.288 10 5 EGBERN CCN(CCc1nccs1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611712447 460436215 /nfs/dbraw/zinc/43/62/15/460436215.db2.gz LVVQYQNAQJRXSB-UHFFFAOYSA-N 0 0 329.385 3.064 10 5 EGBERN O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc([N+](=O)[O-])s1 ZINC000600202253 460436786 /nfs/dbraw/zinc/43/67/86/460436786.db2.gz BYWAUVKMXBHNBP-DDTOSNHZSA-N 0 0 334.784 3.378 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](CCF)C3)o2)cc1 ZINC000600204895 460437724 /nfs/dbraw/zinc/43/77/24/460437724.db2.gz OIADZRZBKWBIHN-HNNXBMFYSA-N 0 0 334.347 3.415 10 5 EGBERN CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1[N+](=O)[O-] ZINC000600206942 460440087 /nfs/dbraw/zinc/44/00/87/460440087.db2.gz IFIILAFPMYCRTG-USGALAMMSA-N 0 0 336.457 3.204 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600280106 460464720 /nfs/dbraw/zinc/46/47/20/460464720.db2.gz YDUQSSIJUAVXEY-KGLIPLIRSA-N 0 0 338.454 3.183 10 5 EGBERN CC1(C)CCC[C@](CO)(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000600367783 460484796 /nfs/dbraw/zinc/48/47/96/460484796.db2.gz WWARSIFDBPTLPR-SFHVURJKSA-N 0 0 345.399 3.137 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccco2)C1 ZINC000600368532 460486042 /nfs/dbraw/zinc/48/60/42/460486042.db2.gz TYJKJYLCPWYTDF-LBPRGKRZSA-N 0 0 346.408 3.370 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000600426517 460494099 /nfs/dbraw/zinc/49/40/99/460494099.db2.gz JWVVNLSWKYTKRD-UHFFFAOYSA-N 0 0 341.367 3.323 10 5 EGBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600551764 460521191 /nfs/dbraw/zinc/52/11/91/460521191.db2.gz HJRVVJFXGXPAHO-WDEREUQCSA-N 0 0 346.305 3.003 10 5 EGBERN CC(C)(C)N1CC[C@H](SCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000600569470 460528072 /nfs/dbraw/zinc/52/80/72/460528072.db2.gz OSEMLKIBNJROEH-AWEZNQCLSA-N 0 0 338.429 3.106 10 5 EGBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCN1Cc1ccc(F)cc1 ZINC000616402987 460547297 /nfs/dbraw/zinc/54/72/97/460547297.db2.gz GZKXXMREHSSLAH-LBPRGKRZSA-N 0 0 335.360 3.008 10 5 EGBERN O=[N+]([O-])c1ccc2nccc(N[C@H](C3CC3)C3CCOCC3)c2c1 ZINC000601183664 460742041 /nfs/dbraw/zinc/74/20/41/460742041.db2.gz BKLFQUQHULBWSR-GOSISDBHSA-N 0 0 327.384 3.182 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCc2ccccc21 ZINC000601195053 460747844 /nfs/dbraw/zinc/74/78/44/460747844.db2.gz BPUYVHIVUKIQSJ-SNVBAGLBSA-N 0 0 326.278 3.447 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(Oc2ccccc2F)CC1 ZINC000601216510 460753439 /nfs/dbraw/zinc/75/34/39/460753439.db2.gz MTTCESOTCMOMPM-UHFFFAOYSA-N 0 0 348.378 3.307 10 5 EGBERN Cc1cnc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601245667 460764389 /nfs/dbraw/zinc/76/43/89/460764389.db2.gz KEZTYENIVYRQIX-UHFFFAOYSA-N 0 0 331.397 3.098 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601249754 460764426 /nfs/dbraw/zinc/76/44/26/460764426.db2.gz GZNJBRPHGAXNQJ-UWVGGRQHSA-N 0 0 348.325 3.107 10 5 EGBERN COC(=O)c1cc(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000601251712 460765406 /nfs/dbraw/zinc/76/54/06/460765406.db2.gz FDPUCQIVUTUHSK-UHFFFAOYSA-N 0 0 345.355 3.062 10 5 EGBERN CC1(C)C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601370008 460797078 /nfs/dbraw/zinc/79/70/78/460797078.db2.gz TWZMILAIYKRYFJ-AWEZNQCLSA-N 0 0 332.400 3.090 10 5 EGBERN COC[C@H](C)Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601382976 460800966 /nfs/dbraw/zinc/80/09/66/460800966.db2.gz BBFWFVXILXTBMX-GFCCVEGCSA-N 0 0 331.372 3.273 10 5 EGBERN CC(C)[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601404025 460805757 /nfs/dbraw/zinc/80/57/57/460805757.db2.gz FACSZYAYIOTERK-RDJZCZTQSA-N 0 0 346.427 3.336 10 5 EGBERN CN(C[C@H]1CCCC[C@H]1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601414180 460807091 /nfs/dbraw/zinc/80/70/91/460807091.db2.gz RVQHXKJLWSFYPP-RHSMWYFYSA-N 0 0 346.427 3.026 10 5 EGBERN CCN(Cc1occc1C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601441645 460812379 /nfs/dbraw/zinc/81/23/79/460812379.db2.gz LOKGDLXQDGAZOG-UHFFFAOYSA-N 0 0 344.414 3.077 10 5 EGBERN O=C(N1CC[C@@]2(C1)CCCOC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601560194 460832022 /nfs/dbraw/zinc/83/20/22/460832022.db2.gz RIKKICAGPPJJLC-GOSISDBHSA-N 0 0 344.411 3.046 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[C@H]1CCCCO1 ZINC000601570290 460835347 /nfs/dbraw/zinc/83/53/47/460835347.db2.gz GXWDEVFQXIXAGJ-MRXNPFEDSA-N 0 0 334.416 3.191 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000617378604 460837421 /nfs/dbraw/zinc/83/74/21/460837421.db2.gz AIZGRNGZNSNZAS-HNNXBMFYSA-N 0 0 348.399 3.167 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000613195716 460858560 /nfs/dbraw/zinc/85/85/60/460858560.db2.gz MZMBSYIZPIURDK-LLVKDONJSA-N 0 0 325.324 3.209 10 5 EGBERN CSC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000601691189 460870658 /nfs/dbraw/zinc/87/06/58/460870658.db2.gz IILSSIXPKMUWGK-UHFFFAOYSA-N 0 0 346.355 3.164 10 5 EGBERN CC[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601773636 460894221 /nfs/dbraw/zinc/89/42/21/460894221.db2.gz AGOZFGALVSNHPY-MJGOQNOKSA-N 0 0 342.395 3.112 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601853027 460926343 /nfs/dbraw/zinc/92/63/43/460926343.db2.gz FUFZWTYMGHAKLF-HNNXBMFYSA-N 0 0 332.400 3.372 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000601876276 460933421 /nfs/dbraw/zinc/93/34/21/460933421.db2.gz HYDMIOFDOWCKQY-SJORKVTESA-N 0 0 346.427 3.336 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC2(O)CCC(c3ccccc3)CC2)c1=O ZINC000601956454 460960781 /nfs/dbraw/zinc/96/07/81/460960781.db2.gz AVKCFHWXXFPHOV-UHFFFAOYSA-N 0 0 342.395 3.154 10 5 EGBERN COc1ccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2c1 ZINC000617862811 461004578 /nfs/dbraw/zinc/00/45/78/461004578.db2.gz RSZDEYJBNFYWMI-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000618078171 461081745 /nfs/dbraw/zinc/08/17/45/461081745.db2.gz XNVCMDDCTGQVCQ-LBPRGKRZSA-N 0 0 344.367 3.493 10 5 EGBERN Cc1c(CC(=O)Nc2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000178662637 533840736 /nfs/dbraw/zinc/84/07/36/533840736.db2.gz HXPKRZCDOAFKCK-UHFFFAOYSA-N 0 0 326.352 3.409 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000160299005 533893977 /nfs/dbraw/zinc/89/39/77/533893977.db2.gz OEAFBTQYODYFDF-DOMZBBRYSA-N 0 0 334.372 3.059 10 5 EGBERN C[C@@H]1C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132040249 534041525 /nfs/dbraw/zinc/04/15/25/534041525.db2.gz DSEJAICBHXPORU-SVGQVSJJSA-N 0 0 333.569 3.149 10 5 EGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000129298812 534887691 /nfs/dbraw/zinc/88/76/91/534887691.db2.gz NDBTZDHKNLUOLF-MRXNPFEDSA-N 0 0 346.408 3.092 10 5 EGBERN CC(C)c1csc([C@@H]2CCCN(c3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000266107403 535378213 /nfs/dbraw/zinc/37/82/13/535378213.db2.gz LYTBPMGHSIDLKD-LLVKDONJSA-N 0 0 335.433 3.292 10 5 EGBERN COCCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000179857854 536297468 /nfs/dbraw/zinc/29/74/68/536297468.db2.gz QGGTUQNXPHUTQS-VIFPVBQESA-N 0 0 345.193 3.359 10 5 EGBERN COc1ccccc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025126500 537083842 /nfs/dbraw/zinc/08/38/42/537083842.db2.gz DFYWGEIEQAVGJK-UHFFFAOYSA-N 0 0 336.731 3.274 10 5 EGBERN COc1ncccc1-c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000356260745 537149785 /nfs/dbraw/zinc/14/97/85/537149785.db2.gz OSMTUOJXEOFLKU-UHFFFAOYSA-N 0 0 344.352 3.341 10 5 EGBERN COc1ccc(Cl)cc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172811703 546999422 /nfs/dbraw/zinc/99/94/22/546999422.db2.gz SOIVQBJEPURTGR-UHFFFAOYSA-N 0 0 334.759 3.116 10 5 EGBERN CC[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000726006472 574522033 /nfs/dbraw/zinc/52/20/33/574522033.db2.gz JINHCOOGMVXIMY-HNNXBMFYSA-N 0 0 348.355 3.315 10 5 EGBERN CCCCc1noc([C@H](C)OC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000727900363 574700257 /nfs/dbraw/zinc/70/02/57/574700257.db2.gz IVQNGHCNKCTAFR-JTQLQIEISA-N 0 0 348.359 3.129 10 5 EGBERN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(F)c1 ZINC000728201658 574729107 /nfs/dbraw/zinc/72/91/07/574729107.db2.gz LSKMDXXXUVRJKH-GFCCVEGCSA-N 0 0 343.358 3.432 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000728202036 574729429 /nfs/dbraw/zinc/72/94/29/574729429.db2.gz RLDNJAQHIBAPTC-HZSPNIEDSA-N 0 0 331.416 3.135 10 5 EGBERN C=CC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000728994932 574792299 /nfs/dbraw/zinc/79/22/99/574792299.db2.gz DZBIZHCUIJTJAB-UHFFFAOYSA-N 0 0 344.298 3.215 10 5 EGBERN C[C@H](COc1cccc(F)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000731780387 575206872 /nfs/dbraw/zinc/20/68/72/575206872.db2.gz IFRIZKVPQJHGNZ-GFCCVEGCSA-N 0 0 333.315 3.287 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000733189540 575318861 /nfs/dbraw/zinc/31/88/61/575318861.db2.gz QJHPUQKKCLSVFJ-GFCCVEGCSA-N 0 0 336.392 3.191 10 5 EGBERN COC(=O)/C=C\c1ccc(NCC2CCSCC2)c([N+](=O)[O-])c1 ZINC000733302018 575326654 /nfs/dbraw/zinc/32/66/54/575326654.db2.gz GVWAKSUKBGIJAQ-HYXAFXHYSA-N 0 0 336.413 3.336 10 5 EGBERN CCc1noc(CCCC(=O)Oc2ccc(CC)cc2[N+](=O)[O-])n1 ZINC000734739382 575547164 /nfs/dbraw/zinc/54/71/64/575547164.db2.gz IVGPCRDRQFLEQV-UHFFFAOYSA-N 0 0 333.344 3.031 10 5 EGBERN O=[N+]([O-])c1c(N[C@H]2C[C@@H]2c2c(F)cccc2F)nc2ccccn21 ZINC000734831866 575562280 /nfs/dbraw/zinc/56/22/80/575562280.db2.gz DRPZXDZNBWVYKL-CABZTGNLSA-N 0 0 330.294 3.489 10 5 EGBERN CCOc1ccc(C(=O)OCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000741126189 576657484 /nfs/dbraw/zinc/65/74/84/576657484.db2.gz MBYMELRJUHZTEI-UHFFFAOYSA-N 0 0 345.351 3.367 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CCOc2ccccc2F)c1 ZINC000741746488 576716070 /nfs/dbraw/zinc/71/60/70/576716070.db2.gz LBIQWJGMCAEGQY-UHFFFAOYSA-N 0 0 338.310 3.397 10 5 EGBERN COc1ccc(OCCOC(=O)CSC(C)(C)C)c([N+](=O)[O-])c1 ZINC000741827173 576725651 /nfs/dbraw/zinc/72/56/51/576725651.db2.gz ZFUZVJKDRZPRAN-UHFFFAOYSA-N 0 0 343.401 3.057 10 5 EGBERN COC(=O)/C=C/c1ccc(Oc2ncc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000742428882 576783610 /nfs/dbraw/zinc/78/36/10/576783610.db2.gz ULNNHHPYRIKMLY-FNORWQNLSA-N 0 0 344.323 3.285 10 5 EGBERN O=C(NCCc1ccc2ccccc2n1)c1cc([N+](=O)[O-])ccc1F ZINC000743730509 576815326 /nfs/dbraw/zinc/81/53/26/576815326.db2.gz PWBQEWMAFSTSNG-UHFFFAOYSA-N 0 0 339.326 3.255 10 5 EGBERN COc1cccc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000744330049 576825652 /nfs/dbraw/zinc/82/56/52/576825652.db2.gz OUVJBVQTKSQDDG-LLVKDONJSA-N 0 0 349.314 3.426 10 5 EGBERN CCN(C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103059 576841322 /nfs/dbraw/zinc/84/13/22/576841322.db2.gz ZGNIPZBNKWLFEN-HNNXBMFYSA-N 0 0 334.397 3.393 10 5 EGBERN CCCCc1noc([C@@H](C)OC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000745332936 576845945 /nfs/dbraw/zinc/84/59/45/576845945.db2.gz KBJCPIRALOINPO-LLVKDONJSA-N 0 0 333.344 3.167 10 5 EGBERN C[C@H](OC(=O)c1cccn(C(C)(C)C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000869979108 1295572601 /nfs/dbraw/zinc/57/26/01/1295572601.db2.gz XGXINXRAOLGIPK-LBPRGKRZSA-N 0 0 344.367 3.430 10 5 EGBERN C[C@@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000869991589 1295583615 /nfs/dbraw/zinc/58/36/15/1295583615.db2.gz USAQAQBCAUXROH-LLVKDONJSA-N 0 0 328.324 3.009 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccn(C2CC2)c1=O ZINC000869992843 1295585980 /nfs/dbraw/zinc/58/59/80/1295585980.db2.gz SANSBNOWBSVQJO-GFCCVEGCSA-N 0 0 342.351 3.318 10 5 EGBERN CO[C@H]1CC[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000870727071 1296046239 /nfs/dbraw/zinc/04/62/39/1296046239.db2.gz ZSVAJBDESWGWEY-PWSUYJOCSA-N 0 0 326.780 3.196 10 5 EGBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCc2ccccc21 ZINC000870826701 1296104292 /nfs/dbraw/zinc/10/42/92/1296104292.db2.gz KLVSMEOHEDUERN-PUJMQQBBSA-N 0 0 341.367 3.158 10 5 EGBERN O=C(CCc1ccccc1Cl)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827329 1296104511 /nfs/dbraw/zinc/10/45/11/1296104511.db2.gz YIYHPDDZEURXSH-UHFFFAOYSA-N 0 0 349.774 3.324 10 5 EGBERN O=C(CCCc1ccsc1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870827496 1296106628 /nfs/dbraw/zinc/10/66/28/1296106628.db2.gz CBGHMHBQIBTBNJ-UHFFFAOYSA-N 0 0 335.385 3.122 10 5 EGBERN C[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(Cl)c1 ZINC000870829765 1296107490 /nfs/dbraw/zinc/10/74/90/1296107490.db2.gz QBSPLJCXYXZUBA-KKJMOOEGSA-N 0 0 349.774 3.495 10 5 EGBERN Cc1cc(F)cc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000871122077 1296233121 /nfs/dbraw/zinc/23/31/21/1296233121.db2.gz HTOCNNSRMDHIBE-GJZGRUSLSA-N 0 0 336.363 3.120 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NOCCCC(F)(F)F ZINC000871215018 1296278826 /nfs/dbraw/zinc/27/88/26/1296278826.db2.gz YBCWRVYYFMCVRN-UHFFFAOYSA-N 0 0 345.277 3.009 10 5 EGBERN C[C@H](SCc1cn(C[C@@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000871715907 1296497156 /nfs/dbraw/zinc/49/71/56/1296497156.db2.gz HWRUOLZYNPUENU-STQMWFEESA-N 0 0 348.428 3.217 10 5 EGBERN CC(C)(CCc1noc(Cc2ccc3cccnc3c2)n1)[N+](=O)[O-] ZINC000871847443 1296565146 /nfs/dbraw/zinc/56/51/46/1296565146.db2.gz KKVBGKYYAJAAHO-UHFFFAOYSA-N 0 0 326.356 3.197 10 5 EGBERN O=C([O-])C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000871881990 1296591731 /nfs/dbraw/zinc/59/17/31/1296591731.db2.gz SDBUOCHUEHSKHM-UHFFFAOYSA-N 0 0 332.381 3.276 10 5 EGBERN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000872022048 1296665335 /nfs/dbraw/zinc/66/53/35/1296665335.db2.gz WBODUYLNHRLZAY-NWDGAFQWSA-N 0 0 347.394 3.464 10 5 EGBERN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041635 1296692795 /nfs/dbraw/zinc/69/27/95/1296692795.db2.gz VLPNRDVXUYLUSA-GFCCVEGCSA-N 0 0 337.395 3.176 10 5 EGBERN C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047419 1296699934 /nfs/dbraw/zinc/69/99/34/1296699934.db2.gz BNOSHUGGKZZFFS-WFASDCNBSA-N 0 0 349.406 3.318 10 5 EGBERN C[C@H](NCc1nn(C)cc1C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091762 1296730720 /nfs/dbraw/zinc/73/07/20/1296730720.db2.gz IYIMVFLIKOFMFP-QMMMGPOBSA-N 0 0 328.294 3.256 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872167884 1296791881 /nfs/dbraw/zinc/79/18/81/1296791881.db2.gz LDZNYXCIOLEACI-XDTLVQLUSA-N 0 0 346.305 3.159 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000872302661 1296906572 /nfs/dbraw/zinc/90/65/72/1296906572.db2.gz HJRRHCUGCKWEIH-OCCSQVGLSA-N 0 0 344.289 3.055 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)nc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309561557 1297074434 /nfs/dbraw/zinc/07/44/34/1297074434.db2.gz RLUQRORXCUSTIB-ZDUSSCGKSA-N 0 0 333.775 3.297 10 5 EGBERN CO[C@]12CCC[C@@]1(C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000873446422 1297514101 /nfs/dbraw/zinc/51/41/01/1297514101.db2.gz SIPODWYJTADRNK-DQYPLSBCSA-N 0 0 335.356 3.132 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000873571022 1297594359 /nfs/dbraw/zinc/59/43/59/1297594359.db2.gz QBNBNDKCVUHDEK-SWLSCSKDSA-N 0 0 337.372 3.354 10 5 EGBERN Cc1c(CC(=O)O[C@@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873576213 1297602026 /nfs/dbraw/zinc/60/20/26/1297602026.db2.gz LNZTWRABFZFIHK-OAHLLOKOSA-N 0 0 333.384 3.481 10 5 EGBERN CC[C@H](CCc1cccnc1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000873587737 1297614359 /nfs/dbraw/zinc/61/43/59/1297614359.db2.gz HHHOZNJKQXWYKV-QGZVFWFLSA-N 0 0 328.368 3.487 10 5 EGBERN CC(=O)N1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000876231257 1298653851 /nfs/dbraw/zinc/65/38/51/1298653851.db2.gz SRFMEGXSGJMYQW-ZDUSSCGKSA-N 0 0 346.364 3.311 10 5 EGBERN Cc1ccsc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878441134 1300003266 /nfs/dbraw/zinc/00/32/66/1300003266.db2.gz QCFXRLJAOBIVSS-UHFFFAOYSA-N 0 0 348.380 3.056 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](c2ccccc2)C1 ZINC000881789131 1301722595 /nfs/dbraw/zinc/72/25/95/1301722595.db2.gz RKXVDPRCKUMYLF-QGZVFWFLSA-N 0 0 326.352 3.375 10 5 EGBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C(F)=C1CCC1 ZINC000881865294 1301746760 /nfs/dbraw/zinc/74/67/60/1301746760.db2.gz UEPXXLORTJDXAV-UHFFFAOYSA-N 0 0 343.152 3.381 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000882157234 1301852060 /nfs/dbraw/zinc/85/20/60/1301852060.db2.gz NLSVVIQMVZDJGA-LSDHHAIUSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000882194274 1301873866 /nfs/dbraw/zinc/87/38/66/1301873866.db2.gz GVEVCSCGWQMUFK-AWEZNQCLSA-N 0 0 348.399 3.356 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000882386900 1301941486 /nfs/dbraw/zinc/94/14/86/1301941486.db2.gz QXBZTPAWVGNRQR-LBPRGKRZSA-N 0 0 334.763 3.099 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CCCCO2)CC1 ZINC000882433193 1301962789 /nfs/dbraw/zinc/96/27/89/1301962789.db2.gz AGPGILHBGBDNHA-UHFFFAOYSA-N 0 0 343.383 3.251 10 5 EGBERN CC(=O)c1c(N[C@@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000882640319 1302042227 /nfs/dbraw/zinc/04/22/27/1302042227.db2.gz UNICYADVNXWDJM-OAHLLOKOSA-N 0 0 345.399 3.143 10 5 EGBERN O=[N+]([O-])c1c(N2C[C@@H]3CCC[C@]3(CO)C2)cccc1C(F)(F)F ZINC000884566471 1302911802 /nfs/dbraw/zinc/91/18/02/1302911802.db2.gz LGTITYZNEODODI-IINYFYTJSA-N 0 0 330.306 3.212 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000885475371 1303155384 /nfs/dbraw/zinc/15/53/84/1303155384.db2.gz WOKGDBXFKCKXIU-DKYWFLSFSA-N 0 0 344.411 3.320 10 5 EGBERN C/C(=C\C(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000887089913 1303670229 /nfs/dbraw/zinc/67/02/29/1303670229.db2.gz ACOCTBBYRXJKLF-DBTPVHCXSA-N 0 0 330.384 3.216 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000888723126 1304251927 /nfs/dbraw/zinc/25/19/27/1304251927.db2.gz ARPSCROUMLLSHD-KVEVAJDUSA-N 0 0 330.384 3.072 10 5 EGBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000890163544 1304688999 /nfs/dbraw/zinc/68/89/99/1304688999.db2.gz LATJVUXEELBJMI-MEDUHNTESA-N 0 0 348.424 3.006 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Cc2ccoc2)C1 ZINC000890572975 1304821312 /nfs/dbraw/zinc/82/13/12/1304821312.db2.gz QDYOVJFRZYBHRE-MDWZMJQESA-N 0 0 326.352 3.292 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCc3nccnc32)c1C ZINC000893287773 1305806268 /nfs/dbraw/zinc/80/62/68/1305806268.db2.gz DJSDVOXHKNEERM-CQSZACIVSA-N 0 0 327.340 3.236 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCCC1(F)F ZINC000893404596 1305874103 /nfs/dbraw/zinc/87/41/03/1305874103.db2.gz DRLRSJYPQWQQLL-LBPRGKRZSA-N 0 0 342.342 3.305 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C)nc1Cl ZINC000893629161 1305994386 /nfs/dbraw/zinc/99/43/86/1305994386.db2.gz FWJZMPXCSLWHHB-UHFFFAOYSA-N 0 0 349.774 3.280 10 5 EGBERN COC(=O)c1cnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000893945611 1306140266 /nfs/dbraw/zinc/14/02/66/1306140266.db2.gz BOTGXZGMOVANPM-UHFFFAOYSA-N 0 0 347.396 3.003 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC1CC1)c1ccc(C)cc1 ZINC000894234282 1306292050 /nfs/dbraw/zinc/29/20/50/1306292050.db2.gz FBGULCGJSBGATJ-UHFFFAOYSA-N 0 0 342.399 3.241 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(C2CC2)no1 ZINC000894267742 1306311970 /nfs/dbraw/zinc/31/19/70/1306311970.db2.gz BPSBHONNGMNQPD-UHFFFAOYSA-N 0 0 335.747 3.352 10 5 EGBERN CSc1cccc(C(=O)NCc2cc(C3CC3)no2)c1[N+](=O)[O-] ZINC000894269182 1306313768 /nfs/dbraw/zinc/31/37/68/1306313768.db2.gz PYJBFMXXUZIHOA-UHFFFAOYSA-N 0 0 333.369 3.112 10 5 EGBERN CSc1cccc(C(=O)NC[C@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000894400965 1308856197 /nfs/dbraw/zinc/85/61/97/1308856197.db2.gz FABWYGHHZAYMDL-LLVKDONJSA-N 0 0 336.413 3.006 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000894524376 1308936637 /nfs/dbraw/zinc/93/66/37/1308936637.db2.gz MMRNYARWYPQZQE-CQSZACIVSA-N 0 0 332.400 3.291 10 5 EGBERN C[C@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCOC2(CCC2)C1 ZINC000894671150 1309015932 /nfs/dbraw/zinc/01/59/32/1309015932.db2.gz BELXBAKRQCOVCC-MTIYJEKLSA-N 0 0 344.411 3.464 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894706438 1309030683 /nfs/dbraw/zinc/03/06/83/1309030683.db2.gz WRBMCOBXTDPCLZ-OHKBXWSGSA-N 0 0 330.384 3.026 10 5 EGBERN CCn1cc(Cl)c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000894898766 1309119359 /nfs/dbraw/zinc/11/93/59/1309119359.db2.gz KIPGWZOZJYRPFF-UHFFFAOYSA-N 0 0 338.751 3.034 10 5 EGBERN O=C(NC1CCC=CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000895205678 1309239661 /nfs/dbraw/zinc/23/96/61/1309239661.db2.gz FYIMDTPUPKUMNB-UHFFFAOYSA-N 0 0 326.356 3.009 10 5 EGBERN CC(=O)c1ccc(N2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC000897282416 1310267829 /nfs/dbraw/zinc/26/78/29/1310267829.db2.gz KKZLTDLZYWIRCP-LBPRGKRZSA-N 0 0 331.397 3.323 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000897563749 1310382517 /nfs/dbraw/zinc/38/25/17/1310382517.db2.gz KWZWEAKYJKMBEA-HUUCEWRRSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1ccc(N2CCCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000897568244 1310385589 /nfs/dbraw/zinc/38/55/89/1310385589.db2.gz RBZMZSTURNRQAD-HOTGVXAUSA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)c1C ZINC000898270581 1310655487 /nfs/dbraw/zinc/65/54/87/1310655487.db2.gz WKAIXVAEOXOTRT-SJKOYZFVSA-N 0 0 346.358 3.203 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](O)c3ccccc32)c1C ZINC000898723655 1310829951 /nfs/dbraw/zinc/82/99/51/1310829951.db2.gz JDHROONQAARUAF-GOEBONIOSA-N 0 0 326.352 3.120 10 5 EGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CC1CC1 ZINC000929212726 1328538521 /nfs/dbraw/zinc/53/85/21/1328538521.db2.gz SFGRUNJXQHVHSP-LBPRGKRZSA-N 0 0 339.779 3.281 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000929220743 1328540300 /nfs/dbraw/zinc/54/03/00/1328540300.db2.gz CSRORLNUKHTSTO-ZDUSSCGKSA-N 0 0 343.387 3.048 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000929221837 1328541187 /nfs/dbraw/zinc/54/11/87/1328541187.db2.gz XAFNFOTXQYWUBL-OAHLLOKOSA-N 0 0 329.360 3.006 10 5 EGBERN CO[C@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000857599563 1328560478 /nfs/dbraw/zinc/56/04/78/1328560478.db2.gz FTBONOXKEAFIJR-SCZZXKLOSA-N 0 0 343.177 3.111 10 5 EGBERN CCOc1cncc(COC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000857667087 1328580051 /nfs/dbraw/zinc/58/00/51/1328580051.db2.gz WMZSUZNBTIIOHZ-UHFFFAOYSA-N 0 0 348.380 3.224 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857952183 1328638931 /nfs/dbraw/zinc/63/89/31/1328638931.db2.gz BQVUHPZYOKNGOM-JTQLQIEISA-N 0 0 328.372 3.243 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCc3cccnc32)c1F ZINC000857968094 1328643473 /nfs/dbraw/zinc/64/34/73/1328643473.db2.gz GMUUGXZDODLICP-NSHDSACASA-N 0 0 347.321 3.036 10 5 EGBERN Cc1ccc(O[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)nc1 ZINC000858008909 1328655369 /nfs/dbraw/zinc/65/53/69/1328655369.db2.gz NDLKOLSBEZVPNO-GFCCVEGCSA-N 0 0 334.763 3.004 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000899461221 1317045484 /nfs/dbraw/zinc/04/54/84/1317045484.db2.gz ODNFVMGVNGIOOO-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000899460844 1317045653 /nfs/dbraw/zinc/04/56/53/1317045653.db2.gz JSEUVUCMQUKEKK-LBPRGKRZSA-N 0 0 331.372 3.011 10 5 EGBERN COCCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858388750 1328751066 /nfs/dbraw/zinc/75/10/66/1328751066.db2.gz WRQXSSVNNNGSTL-UHFFFAOYSA-N 0 0 330.384 3.493 10 5 EGBERN Cc1cc(OS(=O)(=O)CCCC(C)(F)F)c(F)cc1[N+](=O)[O-] ZINC000914393395 1319317202 /nfs/dbraw/zinc/31/72/02/1319317202.db2.gz WQNNQPUOUVJCNI-UHFFFAOYSA-N 0 0 341.307 3.186 10 5 EGBERN Cc1sc(C(=O)O[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000914585554 1319349701 /nfs/dbraw/zinc/34/97/01/1319349701.db2.gz SOVHOSYPAANISM-GFCCVEGCSA-N 0 0 342.417 3.061 10 5 EGBERN O=C1N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])Nc2cc(Cl)ccc21 ZINC000914796265 1319380440 /nfs/dbraw/zinc/38/04/40/1319380440.db2.gz SMVRBKGSUNIKER-KKTNHOPESA-N 0 0 329.743 3.443 10 5 EGBERN COC(=O)/C=C\c1ccc(NCCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000915213100 1319444923 /nfs/dbraw/zinc/44/49/23/1319444923.db2.gz OHAWZCLBJXWTPM-YVMONPNESA-N 0 0 330.340 3.337 10 5 EGBERN Cc1nn(Cc2cnc(N(C)C)c3ccccc23)c(C)c1[N+](=O)[O-] ZINC000915323226 1319467617 /nfs/dbraw/zinc/46/76/17/1319467617.db2.gz YHOABZAVNFFUSC-UHFFFAOYSA-N 0 0 325.372 3.071 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@](O)(c2ccccc2)C1 ZINC000858716936 1328838379 /nfs/dbraw/zinc/83/83/79/1328838379.db2.gz MONRUTOEYABLQA-SFHVURJKSA-N 0 0 328.368 3.091 10 5 EGBERN CCOC(=O)C1=CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000858736713 1328846177 /nfs/dbraw/zinc/84/61/77/1328846177.db2.gz QLVVNJGHZYRJLD-LBPRGKRZSA-N 0 0 327.340 3.207 10 5 EGBERN Cc1c(Br)c(=O)n(CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000917457175 1319815308 /nfs/dbraw/zinc/81/53/08/1319815308.db2.gz HCUMUOBPKUALNL-UHFFFAOYSA-N 0 0 339.136 3.263 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CCC2(COC2)O1 ZINC000917611010 1319849414 /nfs/dbraw/zinc/84/94/14/1319849414.db2.gz DVICZYHHCAXWIS-MRVPVSSYSA-N 0 0 334.155 3.228 10 5 EGBERN Nc1nc(SC[C@@H]2[C@@H](c3ccccc3)C2(F)F)ncc1[N+](=O)[O-] ZINC000917785162 1319871925 /nfs/dbraw/zinc/87/19/25/1319871925.db2.gz UNLLFAFZHLVOEZ-MWLCHTKSSA-N 0 0 338.339 3.108 10 5 EGBERN O=[N+]([O-])c1cn(C[C@H]2CCC3(CCC3)CO2)nc1-c1ccc(F)cn1 ZINC000917788865 1319872317 /nfs/dbraw/zinc/87/23/17/1319872317.db2.gz GYRZJTFGKPQTHV-CYBMUJFWSA-N 0 0 346.362 3.342 10 5 EGBERN CCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000917862532 1319883536 /nfs/dbraw/zinc/88/35/36/1319883536.db2.gz GDHINCFPLKUIIJ-UHFFFAOYSA-N 0 0 327.383 3.295 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC2(CC2)CC1 ZINC000858836086 1328872410 /nfs/dbraw/zinc/87/24/10/1328872410.db2.gz UZPFHJXRCHZBKD-UHFFFAOYSA-N 0 0 349.343 3.060 10 5 EGBERN C/C=C/C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000858864365 1328878880 /nfs/dbraw/zinc/87/88/80/1328878880.db2.gz XNWKXJGOPQPJLG-ITDFMYJTSA-N 0 0 338.429 3.181 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(OCCC(C)C)c1 ZINC000930714192 1328946629 /nfs/dbraw/zinc/94/66/29/1328946629.db2.gz WEDFTQPXUWYHHW-UHFFFAOYSA-N 0 0 346.387 3.163 10 5 EGBERN CCCN(CC(=O)OCC)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859363425 1328976930 /nfs/dbraw/zinc/97/69/30/1328976930.db2.gz XXNYNCUUCWACPV-UHFFFAOYSA-N 0 0 344.367 3.163 10 5 EGBERN O=C(OCc1ccnc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000859473766 1328995516 /nfs/dbraw/zinc/99/55/16/1328995516.db2.gz XVYWDVYTMPCJME-UHFFFAOYSA-N 0 0 345.330 3.086 10 5 EGBERN CCC/C=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919106442 1322028259 /nfs/dbraw/zinc/02/82/59/1322028259.db2.gz XZOWJYUZGCMBKG-PLNGDYQASA-N 0 0 327.178 3.330 10 5 EGBERN CCO[C@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859483613 1328998515 /nfs/dbraw/zinc/99/85/15/1328998515.db2.gz DJCMSBDVQDVVEK-CQSZACIVSA-N 0 0 325.386 3.045 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921687375 1322378564 /nfs/dbraw/zinc/37/85/64/1322378564.db2.gz DCQVNRQGQKPBPH-UHFFFAOYSA-N 0 0 336.779 3.147 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H](CO)c1ccccc1 ZINC000922105156 1322456396 /nfs/dbraw/zinc/45/63/96/1322456396.db2.gz DMJNVDBMSJMZKN-AWEZNQCLSA-N 0 0 334.397 3.160 10 5 EGBERN Cc1cccc(C(=O)OCc2cc(C(F)(F)F)n(C)n2)c1[N+](=O)[O-] ZINC000922139316 1322464431 /nfs/dbraw/zinc/46/44/31/1322464431.db2.gz AWSOPKQQBCOSFH-UHFFFAOYSA-N 0 0 343.261 3.013 10 5 EGBERN COc1ccc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000922186280 1322474675 /nfs/dbraw/zinc/47/46/75/1322474675.db2.gz UDGMRNQBJIVHOU-GUDFOSOFSA-N 0 0 327.283 3.052 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922520148 1322547575 /nfs/dbraw/zinc/54/75/75/1322547575.db2.gz HSKZQKYQQYUVHE-OLZOCXBDSA-N 0 0 347.289 3.181 10 5 EGBERN CCc1onc(C)c1COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000922606648 1322569671 /nfs/dbraw/zinc/56/96/71/1322569671.db2.gz FOIVRSSVQVYDJP-SECBINFHSA-N 0 0 336.319 3.440 10 5 EGBERN COc1cc(CNCc2c(F)cc(C)cc2F)c([N+](=O)[O-])cc1O ZINC000922946118 1322655788 /nfs/dbraw/zinc/65/57/88/1322655788.db2.gz CUIWHFLTBSZHFT-UHFFFAOYSA-N 0 0 338.310 3.185 10 5 EGBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000922965420 1322664334 /nfs/dbraw/zinc/66/43/34/1322664334.db2.gz QOYYWCMWQGTUCF-TZMCWYRMSA-N 0 0 342.399 3.125 10 5 EGBERN C[C@@H](NC(=O)NCCC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000923338508 1322736492 /nfs/dbraw/zinc/73/64/92/1322736492.db2.gz ALGUWAVEKOVKFB-SNVBAGLBSA-N 0 0 341.458 3.151 10 5 EGBERN Cc1ccc(C(=O)OCc2cccnc2[N+](=O)[O-])c2c1NCCC2 ZINC000923678325 1322789935 /nfs/dbraw/zinc/78/99/35/1322789935.db2.gz WNOLPLMDPOXTLT-UHFFFAOYSA-N 0 0 327.340 3.013 10 5 EGBERN Cc1cc(C(=O)OCc2cccnc2[N+](=O)[O-])cc2c1NCCC2 ZINC000923689742 1322790903 /nfs/dbraw/zinc/79/09/03/1322790903.db2.gz RLQVBOVAFMSVAI-UHFFFAOYSA-N 0 0 327.340 3.013 10 5 EGBERN O=C(COC(=O)[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000859683268 1329053891 /nfs/dbraw/zinc/05/38/91/1329053891.db2.gz XTLIZCMBMUXWJA-VIFPVBQESA-N 0 0 345.273 3.285 10 5 EGBERN Cc1nnc([C@@H](C)OC(=O)CCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000923961948 1322856957 /nfs/dbraw/zinc/85/69/57/1322856957.db2.gz LIBPUYJXWBVZTE-MRVPVSSYSA-N 0 0 339.348 3.131 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1CCC[C@H](O)C1 ZINC000923966010 1322858647 /nfs/dbraw/zinc/85/86/47/1322858647.db2.gz BHVZZDUMHYJGQU-RYUDHWBXSA-N 0 0 341.791 3.275 10 5 EGBERN C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000923968151 1322859509 /nfs/dbraw/zinc/85/95/09/1322859509.db2.gz UVHQCTRVWOYIBD-BVGQSLNGSA-N 0 0 340.379 3.238 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCCC[C@@H]1CCOC1 ZINC000924241322 1322949396 /nfs/dbraw/zinc/94/93/96/1322949396.db2.gz UQHNKUSSOLDXET-LLVKDONJSA-N 0 0 327.764 3.151 10 5 EGBERN CC(C)(CCC(=O)OCc1coc(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000859710247 1329060626 /nfs/dbraw/zinc/06/06/26/1329060626.db2.gz ZLLBXQCYXFNDCV-UHFFFAOYSA-N 0 0 336.319 3.359 10 5 EGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1COc2cc(F)ccc2C1 ZINC000859857461 1329098713 /nfs/dbraw/zinc/09/87/13/1329098713.db2.gz FMJGIIXSUVHCMC-LLVKDONJSA-N 0 0 337.328 3.090 10 5 EGBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000931371056 1329104721 /nfs/dbraw/zinc/10/47/21/1329104721.db2.gz ZTFDQWVLCSVGHV-XYLWRLHESA-N 0 0 327.340 3.349 10 5 EGBERN Cc1nc2sccn2c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000859906216 1329109063 /nfs/dbraw/zinc/10/90/63/1329109063.db2.gz FAYBKVIESZTGOM-SNVBAGLBSA-N 0 0 344.396 3.412 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000931610770 1329153190 /nfs/dbraw/zinc/15/31/90/1329153190.db2.gz QTSCJQZXFFASJS-XHDPSFHLSA-N 0 0 337.351 3.061 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000931610763 1329153448 /nfs/dbraw/zinc/15/34/48/1329153448.db2.gz QTSCJQZXFFASJS-ABAIWWIYSA-N 0 0 337.351 3.061 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000931676269 1329162640 /nfs/dbraw/zinc/16/26/40/1329162640.db2.gz SVUDMYRNCLHOPX-UHFFFAOYSA-N 0 0 332.791 3.409 10 5 EGBERN COC(=O)C1C[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000860188600 1329169900 /nfs/dbraw/zinc/16/99/00/1329169900.db2.gz NDDHUHRBVZNPNH-QWRGUYRKSA-N 0 0 340.807 3.410 10 5 EGBERN CC(C)n1ncc(C(=O)OCc2csc([N+](=O)[O-])c2)c1Cl ZINC000860210812 1329175048 /nfs/dbraw/zinc/17/50/48/1329175048.db2.gz ZZTOBISWKYHIMV-UHFFFAOYSA-N 0 0 329.765 3.444 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235496 1325089973 /nfs/dbraw/zinc/08/99/73/1325089973.db2.gz LSJUHGYBVZPBLP-KCXAZCMYSA-N 0 0 349.431 3.094 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000860399455 1329313321 /nfs/dbraw/zinc/31/33/21/1329313321.db2.gz JLGLIUJTYVIHDB-CYBMUJFWSA-N 0 0 328.368 3.435 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860586262 1329333710 /nfs/dbraw/zinc/33/37/10/1329333710.db2.gz ZQUQERHVCAHRJX-NMSKTSORSA-N 0 0 327.768 3.182 10 5 EGBERN C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000926927885 1327781273 /nfs/dbraw/zinc/78/12/73/1327781273.db2.gz VVGKTYIDSWNTSQ-MRVPVSSYSA-N 0 0 346.284 3.337 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927304049 1327965109 /nfs/dbraw/zinc/96/51/09/1327965109.db2.gz NAIQAFKCDKEDMI-LYSIVYOWSA-N 0 0 348.402 3.498 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927319761 1327970768 /nfs/dbraw/zinc/97/07/68/1327970768.db2.gz QGBGEABODHUGCN-XTIRWZRGSA-N 0 0 334.375 3.408 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2cccnc21 ZINC000927385365 1327997587 /nfs/dbraw/zinc/99/75/87/1327997587.db2.gz JKKASBWXOWKEPR-HNNXBMFYSA-N 0 0 340.383 3.209 10 5 EGBERN CNc1ccc(C(=O)NCC2CCC(SC)CC2)cc1[N+](=O)[O-] ZINC000927393623 1328002215 /nfs/dbraw/zinc/00/22/15/1328002215.db2.gz WJWDIVCVKGDQMC-UHFFFAOYSA-N 0 0 337.445 3.288 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@]12C[C@H]1CCCC2 ZINC000927435397 1328024455 /nfs/dbraw/zinc/02/44/55/1328024455.db2.gz ALAYUHOJGJNMRU-ACJLOTCBSA-N 0 0 327.384 3.315 10 5 EGBERN O=C(NCc1nccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000927615031 1328080774 /nfs/dbraw/zinc/08/07/74/1328080774.db2.gz GYVYNJJWUBYRDX-UHFFFAOYSA-N 0 0 345.786 3.452 10 5 EGBERN O=C(NCC[C@H]1OCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000927662319 1328095178 /nfs/dbraw/zinc/09/51/78/1328095178.db2.gz CTKOMRSZNNRRSG-QGZVFWFLSA-N 0 0 341.367 3.420 10 5 EGBERN CC[C@@]1(CO)CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861202541 1329397076 /nfs/dbraw/zinc/39/70/76/1329397076.db2.gz NSUFTJKKIIQSSI-SFHVURJKSA-N 0 0 328.368 3.125 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928237092 1328248233 /nfs/dbraw/zinc/24/82/33/1328248233.db2.gz QSFFPAPZNSLXLY-GFCCVEGCSA-N 0 0 345.399 3.496 10 5 EGBERN C[C@@H](NC(=O)C1CCC(C(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246251 1328253488 /nfs/dbraw/zinc/25/34/88/1328253488.db2.gz FWOPXJPZPCFBIL-LRVUVFPRSA-N 0 0 334.416 3.349 10 5 EGBERN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@H]1CCC(=O)C1 ZINC000861444863 1329418790 /nfs/dbraw/zinc/41/87/90/1329418790.db2.gz DFKOYCDBLWKCSL-CABZTGNLSA-N 0 0 331.246 3.111 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000861445674 1329418848 /nfs/dbraw/zinc/41/88/48/1329418848.db2.gz MOQUJCFYWRKLGU-FVCCEPFGSA-N 0 0 345.273 3.309 10 5 EGBERN CCn1ccc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC000861446826 1329419161 /nfs/dbraw/zinc/41/91/61/1329419161.db2.gz YSUDKNZFUPWDSK-LBPRGKRZSA-N 0 0 343.261 3.272 10 5 EGBERN Cc1ccc(NC(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000929118563 1328509761 /nfs/dbraw/zinc/50/97/61/1328509761.db2.gz PRTUJNWMYFTEGS-LLVKDONJSA-N 0 0 349.334 3.415 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929132490 1328514981 /nfs/dbraw/zinc/51/49/81/1328514981.db2.gz DNEUVFPZXSLOGL-PWSUYJOCSA-N 0 0 332.278 3.342 10 5 EGBERN CC1(C)C[C@@H](O)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861920631 1329450225 /nfs/dbraw/zinc/45/02/25/1329450225.db2.gz QMURCQWSPBHRRS-HNNXBMFYSA-N 0 0 342.395 3.371 10 5 EGBERN O=C(NCCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861926786 1329451146 /nfs/dbraw/zinc/45/11/46/1329451146.db2.gz BVUAQUZJLJBAMU-CYBMUJFWSA-N 0 0 328.368 3.295 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncco2)CC1 ZINC000862108601 1329459255 /nfs/dbraw/zinc/45/92/55/1329459255.db2.gz FJCINWTTZKNCRC-SEYXRHQNSA-N 0 0 341.367 3.392 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000862945961 1329519134 /nfs/dbraw/zinc/51/91/34/1329519134.db2.gz DEQWLRRVJWPKTC-UHFFFAOYSA-N 0 0 345.302 3.304 10 5 EGBERN Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863005899 1329522523 /nfs/dbraw/zinc/52/25/23/1329522523.db2.gz WKTXYTZUKOPNMF-QWHCGFSZSA-N 0 0 347.352 3.159 10 5 EGBERN C[C@H](S[C@@H]1COC(C)(C)C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000863355418 1329549629 /nfs/dbraw/zinc/54/96/29/1329549629.db2.gz NMYDZIDFAYLUST-ONGXEEELSA-N 0 0 342.392 3.362 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(C(C)(C)C)c1=O ZINC000864406285 1329612238 /nfs/dbraw/zinc/61/22/38/1329612238.db2.gz NATVQHHVTULZFF-UHFFFAOYSA-N 0 0 329.356 3.072 10 5 EGBERN CC(C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864415454 1329613122 /nfs/dbraw/zinc/61/31/22/1329613122.db2.gz MEPBWFCRARRSPB-UHFFFAOYSA-N 0 0 329.194 3.062 10 5 EGBERN Cn1ncc(-c2ccc([N+](=O)[O-])cc2)c1CNC(=O)OC(C)(C)C ZINC000864541781 1329624484 /nfs/dbraw/zinc/62/44/84/1329624484.db2.gz WQRUKDLPUAPUFE-UHFFFAOYSA-N 0 0 332.360 3.020 10 5 EGBERN C[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000864931884 1329653089 /nfs/dbraw/zinc/65/30/89/1329653089.db2.gz SYEYAIMNDJGHNM-GFCCVEGCSA-N 0 0 343.383 3.003 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000865257603 1329680382 /nfs/dbraw/zinc/68/03/82/1329680382.db2.gz CSYPNCQDDZAQOY-CABCVRRESA-N 0 0 335.429 3.229 10 5 EGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCOC1CCOCC1 ZINC000865359535 1329688817 /nfs/dbraw/zinc/68/88/17/1329688817.db2.gz OHURTMSPHKYELP-UHFFFAOYSA-N 0 0 346.177 3.198 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(OC[C@H]2CC3(CO2)CCOCC3)cc1F ZINC000865368468 1329689503 /nfs/dbraw/zinc/68/95/03/1329689503.db2.gz UIEXKPDMBLVWMU-SNVBAGLBSA-N 0 0 345.754 3.352 10 5 EGBERN O=[N+]([O-])c1cc(CNCc2cn(C3CC3)cn2)cc(C(F)(F)F)c1 ZINC000865545933 1329711938 /nfs/dbraw/zinc/71/19/38/1329711938.db2.gz QZRPWXKFEZTJSO-UHFFFAOYSA-N 0 0 340.305 3.435 10 5 EGBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000865573381 1329715053 /nfs/dbraw/zinc/71/50/53/1329715053.db2.gz LXZXMEJBHZPTPJ-IYBDPMFKSA-N 0 0 338.363 3.193 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCc1ccc(Cl)nc1 ZINC000865613442 1329720291 /nfs/dbraw/zinc/72/02/91/1329720291.db2.gz SGRALICECXCTIQ-UHFFFAOYSA-N 0 0 349.700 3.050 10 5 EGBERN C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC2(CCCCC2)O1 ZINC000865919383 1329751701 /nfs/dbraw/zinc/75/17/01/1329751701.db2.gz WSZJHXPMVKNBSH-LBPRGKRZSA-N 0 0 338.379 3.154 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C3(C)OCCO3)cc2)n1 ZINC000866007224 1329758597 /nfs/dbraw/zinc/75/85/97/1329758597.db2.gz IZLSEKCNKVRIKG-UHFFFAOYSA-N 0 0 343.383 3.438 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(OC(C)(C)C)CC1 ZINC000866050277 1330059426 /nfs/dbraw/zinc/05/94/26/1330059426.db2.gz YIIKSCGASNGIOD-UHFFFAOYSA-N 0 0 349.431 3.493 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000866051988 1330059548 /nfs/dbraw/zinc/05/95/48/1330059548.db2.gz JMRLRZCWCRILTQ-WBVHZDCISA-N 0 0 327.384 3.309 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CCC3)[C@@H]3CCOC3)cc2N1 ZINC000866144173 1330070132 /nfs/dbraw/zinc/07/01/32/1330070132.db2.gz XWPUCHXTHOPWCF-FZKQIMNGSA-N 0 0 345.399 3.097 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157281 1330071551 /nfs/dbraw/zinc/07/15/51/1330071551.db2.gz PQDHNVGJFFOLNA-GFCCVEGCSA-N 0 0 345.790 3.027 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000866177079 1330073751 /nfs/dbraw/zinc/07/37/51/1330073751.db2.gz WGSGVQXOBAKXSQ-GFCCVEGCSA-N 0 0 326.780 3.246 10 5 EGBERN COC(=O)Cc1ccc(NCC(C)(C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000866185624 1330075215 /nfs/dbraw/zinc/07/52/15/1330075215.db2.gz WMNLRKZINSQPCY-UHFFFAOYSA-N 0 0 330.331 3.404 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])c1 ZINC000866195255 1330076479 /nfs/dbraw/zinc/07/64/79/1330076479.db2.gz QERLRWCKNVIGBZ-GOSISDBHSA-N 0 0 325.368 3.396 10 5 EGBERN Cc1cc(N2CCC(c3nc(C4CCC4)no3)CC2)ncc1[N+](=O)[O-] ZINC000866199846 1330077526 /nfs/dbraw/zinc/07/75/26/1330077526.db2.gz POWQLISABZMHRF-UHFFFAOYSA-N 0 0 343.387 3.333 10 5 EGBERN Cc1c(Cl)ccc2c1CN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000866285679 1330090840 /nfs/dbraw/zinc/09/08/40/1330090840.db2.gz LIRKMGCSPOAEFM-UHFFFAOYSA-N 0 0 343.774 3.162 10 5 EGBERN Cn1ccnc1[C@@H](NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403490 1330107294 /nfs/dbraw/zinc/10/72/94/1330107294.db2.gz QNYOCXBUQMWZAU-BBRMVZONSA-N 0 0 346.456 3.151 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC2(CSC2)C1 ZINC000867252713 1330188709 /nfs/dbraw/zinc/18/87/09/1330188709.db2.gz AHIWIPMMDSWZHZ-UHFFFAOYSA-N 0 0 340.832 3.050 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1scnc1C(F)F ZINC000868113594 1330250866 /nfs/dbraw/zinc/25/08/66/1330250866.db2.gz VZIOXTFOYQAZNN-UHFFFAOYSA-N 0 0 341.339 3.304 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000868341140 1330272485 /nfs/dbraw/zinc/27/24/85/1330272485.db2.gz NNLDYOBUKDUEIW-VBNZEHGJSA-N 0 0 347.415 3.079 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@]12C[C@@H]1CCCC2 ZINC000868404429 1330277323 /nfs/dbraw/zinc/27/73/23/1330277323.db2.gz LYUVLEOOAAHWDD-UGSOOPFHSA-N 0 0 327.384 3.315 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000868673652 1330312017 /nfs/dbraw/zinc/31/20/17/1330312017.db2.gz XCRXRFWZSJEDEN-LBPRGKRZSA-N 0 0 327.331 3.138 10 5 EGBERN Cc1ccc(CNC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000868744098 1330329534 /nfs/dbraw/zinc/32/95/34/1330329534.db2.gz QBMYWKQWCKULEB-LSDHHAIUSA-N 0 0 343.786 3.407 10 5 EGBERN CCOC(CN(CC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000868766600 1330336642 /nfs/dbraw/zinc/33/66/42/1330336642.db2.gz JXVVAARQUNSXKF-UHFFFAOYSA-N 0 0 344.795 3.109 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000869053037 1330403023 /nfs/dbraw/zinc/40/30/23/1330403023.db2.gz HYIDMFSLXVARRM-INIZCTEOSA-N 0 0 340.383 3.345 10 5 EGBERN Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000869053476 1330403274 /nfs/dbraw/zinc/40/32/74/1330403274.db2.gz APDNHGOXSPNFAI-JKSUJKDBSA-N 0 0 347.415 3.002 10 5 EGBERN CC1(C)CC[C@@H](COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)OC1 ZINC000869430443 1330491575 /nfs/dbraw/zinc/49/15/75/1330491575.db2.gz GPAOUWUETOBOTR-VIFPVBQESA-N 0 0 329.299 3.235 10 5 EGBERN Cc1ccc(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)N2)cc1[N+](=O)[O-] ZINC000869520877 1330516251 /nfs/dbraw/zinc/51/62/51/1330516251.db2.gz QQHWELIDQSGOIK-AAEUAGOBSA-N 0 0 346.305 3.019 10 5 EGBERN O=C(NCC[C@H]1CCSC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000869611841 1330533246 /nfs/dbraw/zinc/53/32/46/1330533246.db2.gz HYVLPGLVTKUYMP-NSHDSACASA-N 0 0 335.429 3.042 10 5 EGBERN C[C@H](OC(=O)[C@]12C[C@H]1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000869707695 1330549409 /nfs/dbraw/zinc/54/94/09/1330549409.db2.gz OTPYRVJWXYPNBZ-XWCIJXRUSA-N 0 0 332.356 3.045 10 5 EGBERN CC(C)(C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000869713253 1330551004 /nfs/dbraw/zinc/55/10/04/1330551004.db2.gz VXISBALAPZMLIX-CQSZACIVSA-N 0 0 325.336 3.372 10 5 EGBERN COc1ccc(COC(=O)C(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000869714568 1330551099 /nfs/dbraw/zinc/55/10/99/1330551099.db2.gz CMHGJIGWRXMOGW-OAHLLOKOSA-N 0 0 337.372 3.242 10 5 EGBERN CC(C)(C(=O)OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000869715132 1330551917 /nfs/dbraw/zinc/55/19/17/1330551917.db2.gz MOFKTUBWERIDEV-CQSZACIVSA-N 0 0 325.336 3.372 10 5 EGBERN CCOC1CC(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000869810086 1330568583 /nfs/dbraw/zinc/56/85/83/1330568583.db2.gz CYAPDRMCPZVVAL-UHFFFAOYSA-N 0 0 333.384 3.375 10 5 EGBERN C[C@H](C1CC1)N(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000869881066 1330581950 /nfs/dbraw/zinc/58/19/50/1330581950.db2.gz OWFSYSCMPJRZHR-FZKQIMNGSA-N 0 0 340.379 3.460 10 5 EGBERN C[C@@H]1CCCC[C@@H]1NC(=O)c1c(Br)cncc1[N+](=O)[O-] ZINC000952883614 1334587602 /nfs/dbraw/zinc/58/76/02/1334587602.db2.gz XXAQSKKEJIEJAM-SCZZXKLOSA-N 0 0 342.193 3.061 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccn3ccnc3c2)c(C(F)(F)F)c1 ZINC001185767348 1387793933 /nfs/dbraw/zinc/79/39/33/1387793933.db2.gz TYBQHKMTJWDUAG-UHFFFAOYSA-N 0 0 337.261 3.268 10 5 EGBERN Cc1ccc(OC(F)F)c(CSc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC001189392031 1367010805 /nfs/dbraw/zinc/01/08/05/1367010805.db2.gz VPOYXFGEZOPWTB-UHFFFAOYSA-N 0 0 342.327 3.169 10 5 EGBERN Cn1cnc2c1ncnc2SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001190064569 1367164483 /nfs/dbraw/zinc/16/44/83/1367164483.db2.gz XNUMNRMKBFEPTR-UHFFFAOYSA-N 0 0 335.776 3.217 10 5 EGBERN COC(=O)[C@H]1CCCC[C@@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190273321 1367214522 /nfs/dbraw/zinc/21/45/22/1367214522.db2.gz HEWOJGQETRPWFZ-ZBFHGGJFSA-N 0 0 343.383 3.438 10 5 EGBERN CC[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001192814244 1367880234 /nfs/dbraw/zinc/88/02/34/1367880234.db2.gz FYJUKNMSNYQHQR-OAHLLOKOSA-N 0 0 338.367 3.485 10 5 EGBERN CO[C@@H]1COCC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186550558 1387969774 /nfs/dbraw/zinc/96/97/74/1387969774.db2.gz QXBVEYNRIGXJID-GZMMTYOYSA-N 0 0 335.187 3.365 10 5 EGBERN Cc1c(CN2CCn3nc(C(C)(C)C)cc3C2)cccc1[N+](=O)[O-] ZINC001198363277 1369016111 /nfs/dbraw/zinc/01/61/11/1369016111.db2.gz LXTXEIFXXNGKMW-UHFFFAOYSA-N 0 0 328.416 3.413 10 5 EGBERN Cc1cc(N[C@@H]2CCC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186821101 1388011304 /nfs/dbraw/zinc/01/13/04/1388011304.db2.gz BKTSDMCXSMWWPM-UONOGXRCSA-N 0 0 330.363 3.475 10 5 EGBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001117296573 1371034972 /nfs/dbraw/zinc/03/49/72/1371034972.db2.gz GYGAPXUZFSLHNR-ZDUSSCGKSA-N 0 0 335.404 3.246 10 5 EGBERN COC(=O)c1cc(C)nc(Oc2cnc(F)cc2Cl)c1[N+](=O)[O-] ZINC001117312200 1371036206 /nfs/dbraw/zinc/03/62/06/1371036206.db2.gz PFPRWOFCFYKIEF-UHFFFAOYSA-N 0 0 341.682 3.065 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](Oc3ccccc3)C2)c1 ZINC001118124772 1371133636 /nfs/dbraw/zinc/13/36/36/1371133636.db2.gz JLGZAJAUJOUNQH-ZDUSSCGKSA-N 0 0 332.331 3.400 10 5 EGBERN O=C(NC[C@H]1CCC2(CCCC2)O1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118311751 1371161892 /nfs/dbraw/zinc/16/18/92/1371161892.db2.gz JIXMJWRPMZBIQM-MRXNPFEDSA-N 0 0 345.399 3.112 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(Cc3cccnc3)o2)ccc1OC(F)F ZINC001118361127 1371166565 /nfs/dbraw/zinc/16/65/65/1371166565.db2.gz SVTXSCXROQDXIH-UHFFFAOYSA-N 0 0 348.265 3.232 10 5 EGBERN O=C(COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001118482759 1371188487 /nfs/dbraw/zinc/18/84/87/1371188487.db2.gz SGWIATVYNDKGMN-KGYLQXTDSA-N 0 0 339.294 3.002 10 5 EGBERN CC1(C)C[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)O1 ZINC001119710302 1371392339 /nfs/dbraw/zinc/39/23/39/1371392339.db2.gz WFKPIJHVAFBLRN-CQSZACIVSA-N 0 0 347.415 3.214 10 5 EGBERN CCOC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001187765710 1388158098 /nfs/dbraw/zinc/15/80/98/1388158098.db2.gz OUTOPJNEFHWNKP-SECBINFHSA-N 0 0 332.278 3.003 10 5 EGBERN COC(=O)/C=C/c1ccc(SCc2cnc(C)o2)c([N+](=O)[O-])c1 ZINC001187807615 1388167192 /nfs/dbraw/zinc/16/71/92/1388167192.db2.gz FQXUOGBICCURPK-GQCTYLIASA-N 0 0 334.353 3.370 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC001326400883 1388177560 /nfs/dbraw/zinc/17/75/60/1388177560.db2.gz MICFXMKJUUCWIV-ZDUSSCGKSA-N 0 0 343.221 3.358 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cccn1C(F)F ZINC001123250814 1372407357 /nfs/dbraw/zinc/40/73/57/1372407357.db2.gz AMZHYGBJOIVSNH-UHFFFAOYSA-N 0 0 339.298 3.337 10 5 EGBERN CC(C)(C(=O)OC[C@@]12CCC[C@@H]1OCC2)c1ccccc1[N+](=O)[O-] ZINC001123329443 1372428188 /nfs/dbraw/zinc/42/81/88/1372428188.db2.gz FIOILTSLKBHPQY-YJBOKZPZSA-N 0 0 333.384 3.375 10 5 EGBERN C[C@@H]1[C@H](O)CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001123354396 1372439364 /nfs/dbraw/zinc/43/93/64/1372439364.db2.gz SOLKNHXZEWPGJP-BDJLRTHQSA-N 0 0 329.356 3.125 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC1CC2(C1)CC1(CCC1)C2 ZINC001123479905 1372484578 /nfs/dbraw/zinc/48/45/78/1372484578.db2.gz FAICDMNJRXCIFH-UHFFFAOYSA-N 0 0 347.415 3.394 10 5 EGBERN CC(C)n1cnc2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc21 ZINC001123982338 1372646673 /nfs/dbraw/zinc/64/66/73/1372646673.db2.gz ZEZWSFVYQWOBRJ-UHFFFAOYSA-N 0 0 332.404 3.069 10 5 EGBERN CC(C)Oc1cc(C(=O)NC2([C@@H]3CCCO3)CCC2)ccc1[N+](=O)[O-] ZINC001124034193 1372660955 /nfs/dbraw/zinc/66/09/55/1372660955.db2.gz BDNNHOYBUDMRLZ-INIZCTEOSA-N 0 0 348.399 3.214 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2c(F)cccc2Cl)n1 ZINC001124166889 1372680782 /nfs/dbraw/zinc/68/07/82/1372680782.db2.gz JNQFQYHFMVPQFI-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1sccn1C ZINC001124209449 1372683643 /nfs/dbraw/zinc/68/36/43/1372683643.db2.gz NARMOJVMOYFVQV-UHFFFAOYSA-N 0 0 337.426 3.236 10 5 EGBERN COC(=O)c1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001124396145 1372698244 /nfs/dbraw/zinc/69/82/44/1372698244.db2.gz FOZXAVYLOAAFGX-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001124404096 1372698899 /nfs/dbraw/zinc/69/88/99/1372698899.db2.gz WPTXFECQESIGKL-GUYCJALGSA-N 0 0 330.315 3.427 10 5 EGBERN COC(=O)/C=C\c1ccc(C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC001124518021 1372708244 /nfs/dbraw/zinc/70/82/44/1372708244.db2.gz UYNXTCNOPXAJND-ALCCZGGFSA-N 0 0 345.307 3.210 10 5 EGBERN O=C([C@H]1CCOc2c(F)cccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001124546949 1372710641 /nfs/dbraw/zinc/71/06/41/1372710641.db2.gz LLLLBDQZGAQKQK-AWEZNQCLSA-N 0 0 342.326 3.189 10 5 EGBERN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1nccs1 ZINC001124669978 1372721208 /nfs/dbraw/zinc/72/12/08/1372721208.db2.gz MXLJJIZFKFBHQH-UHFFFAOYSA-N 0 0 325.777 3.300 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1nn(C)c2ccccc12 ZINC001124809769 1372732277 /nfs/dbraw/zinc/73/22/77/1372732277.db2.gz MRMINLQKRUFDEN-UHFFFAOYSA-N 0 0 338.367 3.280 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC001125150017 1372756177 /nfs/dbraw/zinc/75/61/77/1372756177.db2.gz MCKIMDVKFWLHQE-DIFFPNOSSA-N 0 0 335.356 3.177 10 5 EGBERN C[C@@H](NC(=O)c1ncnc2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC001125252386 1372763466 /nfs/dbraw/zinc/76/34/66/1372763466.db2.gz ZHGXKRUYGVSITL-SECBINFHSA-N 0 0 328.353 3.091 10 5 EGBERN CP(C)(=O)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC001125419233 1372784158 /nfs/dbraw/zinc/78/41/58/1372784158.db2.gz TVVKUDUMTLCXNY-UHFFFAOYSA-N 0 0 333.280 3.200 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC001126072325 1372926537 /nfs/dbraw/zinc/92/65/37/1372926537.db2.gz CHWSMIPXDXXGRD-HSZRJFAPSA-N 0 0 332.381 3.201 10 5 EGBERN COC[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C ZINC001126230968 1372950324 /nfs/dbraw/zinc/95/03/24/1372950324.db2.gz XQZFFWPAUKXFPM-OAHLLOKOSA-N 0 0 343.383 3.058 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1CC2CCC1CC2 ZINC001326543596 1388235275 /nfs/dbraw/zinc/23/52/75/1388235275.db2.gz DSKRZZSWSVLPIR-QIMFLAQGSA-N 0 0 349.362 3.001 10 5 EGBERN CCO[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1)C1CCCC1 ZINC001126834843 1373037902 /nfs/dbraw/zinc/03/79/02/1373037902.db2.gz OIALOFYLPRHRMX-MRXNPFEDSA-N 0 0 335.404 3.013 10 5 EGBERN CCc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001126830617 1373038226 /nfs/dbraw/zinc/03/82/26/1373038226.db2.gz POIWHYKEJQVBSS-UHFFFAOYSA-N 0 0 340.133 3.160 10 5 EGBERN Cc1cc(COC(=O)c2cnc(N(C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC001127500562 1373132473 /nfs/dbraw/zinc/13/24/73/1373132473.db2.gz QNUZVMHDWVBKJM-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COc1ccc2c(c1)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC001127611551 1373148125 /nfs/dbraw/zinc/14/81/25/1373148125.db2.gz KQHBOECWMWDMFP-GOSISDBHSA-N 0 0 340.379 3.340 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1nccc2ccsc21 ZINC001127730052 1373169202 /nfs/dbraw/zinc/16/92/02/1373169202.db2.gz SNMRQQDLUCVHRU-UHFFFAOYSA-N 0 0 327.365 3.177 10 5 EGBERN CC[C@@H](OC(=O)c1ccnc2c1ncn2C)c1cccc([N+](=O)[O-])c1 ZINC001127828129 1373187464 /nfs/dbraw/zinc/18/74/64/1373187464.db2.gz HNPQMAJHDXNZRE-CQSZACIVSA-N 0 0 340.339 3.185 10 5 EGBERN Cn1nc(C2CC2)cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127864007 1373191912 /nfs/dbraw/zinc/19/19/12/1373191912.db2.gz GJXZWVPVKGTRGW-UHFFFAOYSA-N 0 0 337.339 3.006 10 5 EGBERN COc1cc(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)ccc1C ZINC001128002225 1373207908 /nfs/dbraw/zinc/20/79/08/1373207908.db2.gz GJZDGKMDHDVOPB-UHFFFAOYSA-N 0 0 344.367 3.335 10 5 EGBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC001128236125 1373238657 /nfs/dbraw/zinc/23/86/57/1373238657.db2.gz BCDSVSMSTMIFGY-UHFFFAOYSA-N 0 0 343.170 3.302 10 5 EGBERN COC(=O)c1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001128946609 1373327537 /nfs/dbraw/zinc/32/75/37/1373327537.db2.gz AVRYLJYZPCFNPD-UHFFFAOYSA-N 0 0 348.742 3.216 10 5 EGBERN COc1ccc(C(=O)O[C@@H](C)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001128989257 1373331807 /nfs/dbraw/zinc/33/18/07/1373331807.db2.gz NJVAVVMDJZESEH-JTQLQIEISA-N 0 0 345.307 3.250 10 5 EGBERN CC[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001129002404 1373333874 /nfs/dbraw/zinc/33/38/74/1373333874.db2.gz CHYFHCSQOYAKCQ-OGHNNQOOSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1ccc(COC(=O)c2ccc(-n3cccc3)nc2)cc1[N+](=O)[O-] ZINC001129134447 1373350162 /nfs/dbraw/zinc/35/01/62/1373350162.db2.gz BCXGYRHKTODVRS-UHFFFAOYSA-N 0 0 337.335 3.446 10 5 EGBERN C=COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001129587426 1373400465 /nfs/dbraw/zinc/40/04/65/1373400465.db2.gz RKPGLGRVDOXWAP-UHFFFAOYSA-N 0 0 344.323 3.143 10 5 EGBERN C[C@H](C(=O)Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001129594894 1373401138 /nfs/dbraw/zinc/40/11/38/1373401138.db2.gz ZLGAEQYHFRVDHA-JTQLQIEISA-N 0 0 328.303 3.124 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccnc(Cl)c1F ZINC001129747152 1373419649 /nfs/dbraw/zinc/41/96/49/1373419649.db2.gz WWBBKDWGOZVWHK-UHFFFAOYSA-N 0 0 348.721 3.445 10 5 EGBERN Cc1cc(C(=O)Nc2ncc(-c3cnccn3)s2)ccc1[N+](=O)[O-] ZINC001129877239 1373431369 /nfs/dbraw/zinc/43/13/69/1373431369.db2.gz JQCDGDKTOCLSEF-UHFFFAOYSA-N 0 0 341.352 3.069 10 5 EGBERN CCc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nn1C ZINC001130113293 1373457379 /nfs/dbraw/zinc/45/73/79/1373457379.db2.gz MFEVTGBGQXNINF-UHFFFAOYSA-N 0 0 330.369 3.358 10 5 EGBERN Nc1c(C(=O)N[C@@H]2CCC[C@@H](F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130126027 1373459161 /nfs/dbraw/zinc/45/91/61/1373459161.db2.gz IUTALINAWHIQOY-VXGBXAGGSA-N 0 0 331.347 3.341 10 5 EGBERN O=C(Nc1cc2ccccc2nn1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001130175450 1373470004 /nfs/dbraw/zinc/47/00/04/1373470004.db2.gz MQGQKXWTWUNHJZ-HUUCEWRRSA-N 0 0 334.335 3.280 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC001130215168 1373475159 /nfs/dbraw/zinc/47/51/59/1373475159.db2.gz YXFIUTBGOQGGOK-UHFFFAOYSA-N 0 0 336.269 3.477 10 5 EGBERN CCOc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC001130796946 1373592293 /nfs/dbraw/zinc/59/22/93/1373592293.db2.gz OHRLBIUOWYFOFL-UHFFFAOYSA-N 0 0 344.323 3.017 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2c1ccn2C(F)F ZINC001130830134 1373595931 /nfs/dbraw/zinc/59/59/31/1373595931.db2.gz KUBQQGPARXRFQJ-UHFFFAOYSA-N 0 0 349.297 3.088 10 5 EGBERN Cc1cc(CCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])no1 ZINC001130959445 1373616740 /nfs/dbraw/zinc/61/67/40/1373616740.db2.gz HBHLVUIQZQPBID-UHFFFAOYSA-N 0 0 326.312 3.011 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)n1 ZINC001131274681 1373673771 /nfs/dbraw/zinc/67/37/71/1373673771.db2.gz CHDJYGLHDSSSTF-GFCCVEGCSA-N 0 0 341.367 3.114 10 5 EGBERN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001131654188 1373745663 /nfs/dbraw/zinc/74/56/63/1373745663.db2.gz LFADEVNRJWMYHV-MAUKXSAKSA-N 0 0 348.399 3.009 10 5 EGBERN COC(=O)c1ccc(OC[C@H](OC)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001188408538 1388304520 /nfs/dbraw/zinc/30/45/20/1388304520.db2.gz OLCDSSFMAIIAMH-INIZCTEOSA-N 0 0 337.372 3.356 10 5 EGBERN CO[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001226216095 1375221971 /nfs/dbraw/zinc/22/19/71/1375221971.db2.gz HHKJKZXILKRIPT-QGZVFWFLSA-N 0 0 349.431 3.298 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1OCc1ncsc1Br ZINC001188718254 1388366969 /nfs/dbraw/zinc/36/69/69/1388366969.db2.gz MZBDGNXSDSREIK-UHFFFAOYSA-N 0 0 345.174 3.401 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(F)c(F)c(F)c1F ZINC001132498186 1375425634 /nfs/dbraw/zinc/42/56/34/1375425634.db2.gz VFHATTFVWLIVQP-UHFFFAOYSA-N 0 0 328.221 3.332 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc2c(c1)OCO2 ZINC001132649742 1375498539 /nfs/dbraw/zinc/49/85/39/1375498539.db2.gz PQIHJUNCUHFFMD-UHFFFAOYSA-N 0 0 329.308 3.297 10 5 EGBERN CC1(C)C[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2Br)CO1 ZINC001327103030 1388381311 /nfs/dbraw/zinc/38/13/11/1388381311.db2.gz LFAXGQBIPZWMKI-MRVPVSSYSA-N 0 0 344.161 3.082 10 5 EGBERN CC(C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001132740500 1375539324 /nfs/dbraw/zinc/53/93/24/1375539324.db2.gz KEKGXDVJFCZYGO-CYBMUJFWSA-N 0 0 326.780 3.326 10 5 EGBERN Cc1cc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c2cnn(C)c2n1 ZINC001132750580 1375546136 /nfs/dbraw/zinc/54/61/36/1375546136.db2.gz UCWRPLMMEVNEEV-NSHDSACASA-N 0 0 340.339 3.103 10 5 EGBERN COc1cccc2[nH]c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC001133049182 1375741571 /nfs/dbraw/zinc/74/15/71/1375741571.db2.gz UMIWNOCLWTVQBP-JXMROGBWSA-N 0 0 338.323 3.132 10 5 EGBERN C[C@H](NC(=O)c1c(Cl)nn(C)c1Cl)c1ccccc1[N+](=O)[O-] ZINC001133111342 1375782363 /nfs/dbraw/zinc/78/23/63/1375782363.db2.gz UVWFIEMRXVPTIT-ZETCQYMHSA-N 0 0 343.170 3.126 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001133480085 1376033214 /nfs/dbraw/zinc/03/32/14/1376033214.db2.gz NDZOHVNUTZPWGK-BBRMVZONSA-N 0 0 330.315 3.105 10 5 EGBERN Cc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001133654544 1376140554 /nfs/dbraw/zinc/14/05/54/1376140554.db2.gz MQHGNQQVCPSCBY-LLVKDONJSA-N 0 0 329.312 3.302 10 5 EGBERN C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001133706236 1376166897 /nfs/dbraw/zinc/16/68/97/1376166897.db2.gz IIWWGFLQZCRQAS-NSHDSACASA-N 0 0 331.347 3.291 10 5 EGBERN CC(C)Oc1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001134271629 1376448448 /nfs/dbraw/zinc/44/84/48/1376448448.db2.gz YRUPRWWCYDTPBG-CYBMUJFWSA-N 0 0 343.383 3.311 10 5 EGBERN C[C@@H](CNC(=O)Cc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001134495763 1376569410 /nfs/dbraw/zinc/56/94/10/1376569410.db2.gz QHXOWTXICWDMIC-NSHDSACASA-N 0 0 334.322 3.335 10 5 EGBERN CCc1nc(OC)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001134684756 1376657425 /nfs/dbraw/zinc/65/74/25/1376657425.db2.gz HBNMJSXZRPXPFU-POHAHGRESA-N 0 0 327.340 3.213 10 5 EGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC12CCCCC2 ZINC001134715499 1376675787 /nfs/dbraw/zinc/67/57/87/1376675787.db2.gz BWUFOMGPVZSCMF-HWYHOQROSA-N 0 0 330.384 3.216 10 5 EGBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001134785692 1376719779 /nfs/dbraw/zinc/71/97/79/1376719779.db2.gz YSKLMZDWQBCTRI-MKPLZMMCSA-N 0 0 339.189 3.276 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC001135055318 1376871024 /nfs/dbraw/zinc/87/10/24/1376871024.db2.gz JCEWHAQDRAEEJB-ZIAGYGMSSA-N 0 0 347.371 3.368 10 5 EGBERN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001135145317 1376932892 /nfs/dbraw/zinc/93/28/92/1376932892.db2.gz PCQOXJOWVVYARE-GFCCVEGCSA-N 0 0 342.351 3.417 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001135200427 1376971276 /nfs/dbraw/zinc/97/12/76/1376971276.db2.gz HIAINLZPPXUOMS-IIAWOOMASA-N 0 0 334.416 3.189 10 5 EGBERN O=C(NC1CCCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001135255141 1377004170 /nfs/dbraw/zinc/00/41/70/1377004170.db2.gz MRWMGUIJLTVDBD-UHFFFAOYSA-N 0 0 328.372 3.438 10 5 EGBERN O=C(Nc1nn(CC(F)F)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001135284965 1377020922 /nfs/dbraw/zinc/02/09/22/1377020922.db2.gz ASIOZBMSVACAKT-UHFFFAOYSA-N 0 0 346.293 3.462 10 5 EGBERN CC1CCC(C)(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001135425358 1377089747 /nfs/dbraw/zinc/08/97/47/1377089747.db2.gz DFLATXXOGHXSFA-UHFFFAOYSA-N 0 0 345.443 3.460 10 5 EGBERN CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001135504337 1377122024 /nfs/dbraw/zinc/12/20/24/1377122024.db2.gz KWEWFLNZDXEHLV-UHFFFAOYSA-N 0 0 349.387 3.179 10 5 EGBERN Cc1cccc(OCCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001264254487 1377141784 /nfs/dbraw/zinc/14/17/84/1377141784.db2.gz QYUKMAYROYHEPX-UHFFFAOYSA-N 0 0 328.368 3.329 10 5 EGBERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001265724256 1377163901 /nfs/dbraw/zinc/16/39/01/1377163901.db2.gz IPSPYVYOBMERAJ-FZMZJTMJSA-N 0 0 348.399 3.311 10 5 EGBERN Cc1ccc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001135880938 1377247972 /nfs/dbraw/zinc/24/79/72/1377247972.db2.gz PXHPAPYBVUXWHI-UHFFFAOYSA-N 0 0 341.245 3.275 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3ccccc3)CCC2)n1 ZINC001135986078 1377287595 /nfs/dbraw/zinc/28/75/95/1377287595.db2.gz LIJJCKARPKQIFV-UHFFFAOYSA-N 0 0 325.368 3.150 10 5 EGBERN COc1ccc(CNC(=O)/C=C\C=C(Cl)Cl)cc1[N+](=O)[O-] ZINC001136337789 1377379025 /nfs/dbraw/zinc/37/90/25/1377379025.db2.gz VFZOVWPDINXNGR-RQOWECAXSA-N 0 0 331.155 3.095 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCc3c2cccc3O)c1F ZINC001136796821 1377423629 /nfs/dbraw/zinc/42/36/29/1377423629.db2.gz WOWJQXDVMNSLBV-LLVKDONJSA-N 0 0 348.305 3.304 10 5 EGBERN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001136912915 1377438934 /nfs/dbraw/zinc/43/89/34/1377438934.db2.gz UPIYGRVZVVWQQQ-UHFFFAOYSA-N 0 0 349.346 3.360 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC001137167835 1377489364 /nfs/dbraw/zinc/48/93/64/1377489364.db2.gz XHYPDPCWTIXZNS-CYBMUJFWSA-N 0 0 345.321 3.418 10 5 EGBERN CCCOC1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCCCC1 ZINC001137196156 1377495156 /nfs/dbraw/zinc/49/51/56/1377495156.db2.gz TVEWBKCUEQJLNK-UHFFFAOYSA-N 0 0 335.404 3.036 10 5 EGBERN Cc1cc(C)nc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001137666787 1377586771 /nfs/dbraw/zinc/58/67/71/1377586771.db2.gz NPMKWJGJYDWIPY-UHFFFAOYSA-N 0 0 327.340 3.208 10 5 EGBERN COc1ccnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001137974445 1377657186 /nfs/dbraw/zinc/65/71/86/1377657186.db2.gz NCXDHSPLURXNIH-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN CC(C)(C)c1csc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC001138021041 1377667378 /nfs/dbraw/zinc/66/73/78/1377667378.db2.gz STYDKWWUNFLDMN-UHFFFAOYSA-N 0 0 345.384 3.477 10 5 EGBERN Cc1cc(O)ccc1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001141425732 1378322442 /nfs/dbraw/zinc/32/24/42/1378322442.db2.gz YVVFTAPGJPOQEQ-UHFFFAOYSA-N 0 0 348.786 3.463 10 5 EGBERN CC(C)c1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001141502839 1378335492 /nfs/dbraw/zinc/33/54/92/1378335492.db2.gz HIUWKWWXLVOUSE-UHFFFAOYSA-N 0 0 343.383 3.484 10 5 EGBERN C[C@H](NC(=O)NC1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001327523623 1388547705 /nfs/dbraw/zinc/54/77/05/1388547705.db2.gz BHNOHODJMGFDND-VOIZVOFFSA-N 0 0 325.315 3.143 10 5 EGBERN Cc1cc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n[nH]1 ZINC001141884189 1378389100 /nfs/dbraw/zinc/38/91/00/1378389100.db2.gz AYWVLRGKAITAEL-UHFFFAOYSA-N 0 0 333.106 3.325 10 5 EGBERN CNc1nccc(C(=O)Nc2ccc(OC)c(SC)c2)c1[N+](=O)[O-] ZINC001141984568 1378400968 /nfs/dbraw/zinc/40/09/68/1378400968.db2.gz QWAHHTCWRGLYGI-UHFFFAOYSA-N 0 0 348.384 3.014 10 5 EGBERN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC001142394077 1378439147 /nfs/dbraw/zinc/43/91/47/1378439147.db2.gz KPRAXLXBYTXFMV-UHFFFAOYSA-N 0 0 349.774 3.111 10 5 EGBERN COc1cccc(SC)c1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001142437665 1378443448 /nfs/dbraw/zinc/44/34/48/1378443448.db2.gz AJMRUQSUNAXXEG-UHFFFAOYSA-N 0 0 333.369 3.160 10 5 EGBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001142506326 1378450337 /nfs/dbraw/zinc/45/03/37/1378450337.db2.gz ONFIJCXDARVAET-GXSJLCMTSA-N 0 0 325.796 3.385 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2ccccc2n1 ZINC001143376659 1378588720 /nfs/dbraw/zinc/58/87/20/1378588720.db2.gz JHURATASZUIXKW-UHFFFAOYSA-N 0 0 343.289 3.351 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327577150 1388562471 /nfs/dbraw/zinc/56/24/71/1388562471.db2.gz JVMYCPNOHUCWTE-MXWKQRLJSA-N 0 0 329.274 3.459 10 5 EGBERN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001143981133 1378666032 /nfs/dbraw/zinc/66/60/32/1378666032.db2.gz QCRHSGFZMJAABN-UHFFFAOYSA-N 0 0 348.746 3.041 10 5 EGBERN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2cc(F)ccc21 ZINC001144660561 1378756754 /nfs/dbraw/zinc/75/67/54/1378756754.db2.gz FBXMXNMPSJIXJF-UHFFFAOYSA-N 0 0 329.331 3.254 10 5 EGBERN Cc1c2c(sc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1)CCCC2 ZINC001147164429 1378979954 /nfs/dbraw/zinc/97/99/54/1378979954.db2.gz UMYOUUZRBHGDHC-UHFFFAOYSA-N 0 0 332.385 3.073 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cn(C)nc1-c1ccco1 ZINC001147911812 1379100153 /nfs/dbraw/zinc/10/01/53/1379100153.db2.gz GNFIWTQJSSGDOI-UHFFFAOYSA-N 0 0 344.302 3.288 10 5 EGBERN COc1ccc(C[C@@H]2CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001149363953 1379368966 /nfs/dbraw/zinc/36/89/66/1379368966.db2.gz MUXBAXZTFYJFCB-INIZCTEOSA-N 0 0 340.379 3.369 10 5 EGBERN O=C(Nc1cccc2nsnc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001149588950 1379410322 /nfs/dbraw/zinc/41/03/22/1379410322.db2.gz RZTQTVZWWZSUGT-UHFFFAOYSA-N 0 0 339.336 3.333 10 5 EGBERN CO[C@@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001327968581 1388634871 /nfs/dbraw/zinc/63/48/71/1388634871.db2.gz WOYTWMNBCKSLDH-BONVTDFDSA-N 0 0 325.336 3.196 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400310 1379927069 /nfs/dbraw/zinc/92/70/69/1379927069.db2.gz FTHPWWJBLUZTCG-NEPJUHHUSA-N 0 0 334.420 3.169 10 5 EGBERN C[C@H](C(=O)Nc1cc(CC2CC2)[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC001152522548 1379944783 /nfs/dbraw/zinc/94/47/83/1379944783.db2.gz PTPGGCRIEVLLQL-VIFPVBQESA-N 0 0 332.335 3.152 10 5 EGBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001152894872 1379991883 /nfs/dbraw/zinc/99/18/83/1379991883.db2.gz RILVPDMKFZCMOR-NSHDSACASA-N 0 0 340.339 3.025 10 5 EGBERN C[C@@H](CSC(F)(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001153485639 1380084025 /nfs/dbraw/zinc/08/40/25/1380084025.db2.gz NGOFHBDBFMRBRG-LURJTMIESA-N 0 0 348.306 3.299 10 5 EGBERN CN1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001153609986 1380102609 /nfs/dbraw/zinc/10/26/09/1380102609.db2.gz SQTLXJUGLRLJQR-CQSZACIVSA-N 0 0 345.786 3.165 10 5 EGBERN COc1nscc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001153904124 1380153360 /nfs/dbraw/zinc/15/33/60/1380153360.db2.gz WDIRHKDFALYMSV-UHFFFAOYSA-N 0 0 341.776 3.285 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001154570746 1380307899 /nfs/dbraw/zinc/30/78/99/1380307899.db2.gz IXHGPSSPJPYMLH-JTQLQIEISA-N 0 0 347.321 3.085 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@](C)(CO)C1CCCCC1 ZINC001155033826 1380395688 /nfs/dbraw/zinc/39/56/88/1380395688.db2.gz CJMIJURDMUASRN-QGZVFWFLSA-N 0 0 338.379 3.103 10 5 EGBERN CC1(c2ccccc2)CC(NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001156158600 1380533290 /nfs/dbraw/zinc/53/32/90/1380533290.db2.gz WWLSTRACJOGYKM-UHFFFAOYSA-N 0 0 325.368 3.027 10 5 EGBERN Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1OC(C)C ZINC001156359354 1380564377 /nfs/dbraw/zinc/56/43/77/1380564377.db2.gz HAVRKXPTKYSMAP-UHFFFAOYSA-N 0 0 338.751 3.319 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2n[nH]cc2c1 ZINC001157079646 1380769985 /nfs/dbraw/zinc/76/99/85/1380769985.db2.gz UMDLNRPMPCVKGW-UHFFFAOYSA-N 0 0 343.368 3.230 10 5 EGBERN Cc1cccnc1CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001157811696 1381040417 /nfs/dbraw/zinc/04/04/17/1381040417.db2.gz OKOQYYQZSSNJOZ-UHFFFAOYSA-N 0 0 338.367 3.142 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231523 1381168684 /nfs/dbraw/zinc/16/86/84/1381168684.db2.gz HXWQMTHUVLAFHK-YVEFUNNKSA-N 0 0 329.331 3.309 10 5 EGBERN COc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(F)c1 ZINC001287796537 1381377943 /nfs/dbraw/zinc/37/79/43/1381377943.db2.gz MXPIIBSWYJESJQ-UHFFFAOYSA-N 0 0 343.314 3.336 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nnc(-c2cccc(N(C)C)c2)o1 ZINC001328291117 1388717982 /nfs/dbraw/zinc/71/79/82/1388717982.db2.gz JXLRLIARAZUFNQ-UHFFFAOYSA-N 0 0 325.328 3.081 10 5 EGBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001288215613 1381731171 /nfs/dbraw/zinc/73/11/71/1381731171.db2.gz BCZQGRSCBWTXJS-KGLIPLIRSA-N 0 0 345.330 3.270 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(F)cccc1OC ZINC001289338911 1381993347 /nfs/dbraw/zinc/99/33/47/1381993347.db2.gz HRWSKINVUXYRGL-UHFFFAOYSA-N 0 0 348.330 3.071 10 5 EGBERN Nc1c(C(=O)Nc2ccc3[nH]cnc3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001292189496 1382173300 /nfs/dbraw/zinc/17/33/00/1382173300.db2.gz JFOFTDNBKRSRQB-UHFFFAOYSA-N 0 0 349.709 3.098 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001294094490 1382417088 /nfs/dbraw/zinc/41/70/88/1382417088.db2.gz LEBAWSTUXKYWJY-QMMMGPOBSA-N 0 0 342.277 3.136 10 5 EGBERN COc1c(F)cc(F)cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001294543444 1382469754 /nfs/dbraw/zinc/46/97/54/1382469754.db2.gz WKAUHGFUAIVEBE-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001295136682 1382552212 /nfs/dbraw/zinc/55/22/12/1382552212.db2.gz OMPHGLYAONALQU-ARFHVFGLSA-N 0 0 348.399 3.142 10 5 EGBERN Cc1ccc(CC(C)(C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001162235458 1382663464 /nfs/dbraw/zinc/66/34/64/1382663464.db2.gz FABIKKSEEAUJHA-UHFFFAOYSA-N 0 0 336.779 3.031 10 5 EGBERN CCOC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)nc(C)n1 ZINC001162308150 1382726812 /nfs/dbraw/zinc/72/68/12/1382726812.db2.gz PPMYPOQLBRQTBP-UHFFFAOYSA-N 0 0 337.719 3.316 10 5 EGBERN CC(C)Oc1nc(NCCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC001162355940 1382739150 /nfs/dbraw/zinc/73/91/50/1382739150.db2.gz NAJNQFCGMTZGOH-UHFFFAOYSA-N 0 0 344.415 3.498 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2Nc1ccc(OCCO)cc1 ZINC001162515040 1382779080 /nfs/dbraw/zinc/77/90/80/1382779080.db2.gz DTKFJRCOSFLGHH-UHFFFAOYSA-N 0 0 325.324 3.258 10 5 EGBERN CSc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)ccn1 ZINC001295692693 1382779114 /nfs/dbraw/zinc/77/91/14/1382779114.db2.gz VCHXQSXMZKWRMC-UHFFFAOYSA-N 0 0 337.788 3.295 10 5 EGBERN COc1ccc(O)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001295831777 1382840124 /nfs/dbraw/zinc/84/01/24/1382840124.db2.gz CDTQMTDSHHMQTB-UHFFFAOYSA-N 0 0 342.351 3.369 10 5 EGBERN Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(N)c1Cl ZINC001295987919 1382891903 /nfs/dbraw/zinc/89/19/03/1382891903.db2.gz GFMJOEMXCIPTDT-UHFFFAOYSA-N 0 0 345.746 3.267 10 5 EGBERN CCOc1cc(Cl)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162880746 1382903731 /nfs/dbraw/zinc/90/37/31/1382903731.db2.gz LGMMTQQSKAXTBK-UHFFFAOYSA-N 0 0 349.774 3.358 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC001296169697 1382912918 /nfs/dbraw/zinc/91/29/18/1382912918.db2.gz DKIIZTWDZAGCPE-WCABBAIRSA-N 0 0 334.401 3.154 10 5 EGBERN CSc1cc(F)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001162983972 1382937379 /nfs/dbraw/zinc/93/73/79/1382937379.db2.gz KGTBCLCROJCZNR-UHFFFAOYSA-N 0 0 330.728 3.085 10 5 EGBERN COc1ccc2c(c1)CN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC001163382657 1383037658 /nfs/dbraw/zinc/03/76/58/1383037658.db2.gz NLJSSTQECADTNH-UHFFFAOYSA-N 0 0 337.335 3.241 10 5 EGBERN CCS(=O)(=O)Cc1ccc(Nc2sccc2[N+](=O)[O-])cc1 ZINC001163519621 1383071529 /nfs/dbraw/zinc/07/15/29/1383071529.db2.gz MJBINZONRWDUNF-UHFFFAOYSA-N 0 0 326.399 3.335 10 5 EGBERN Cc1cc(C)cc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001296932598 1383096988 /nfs/dbraw/zinc/09/69/88/1383096988.db2.gz OITSXCGEKSRRLN-QGZVFWFLSA-N 0 0 346.358 3.123 10 5 EGBERN CN(CC(=O)N1CCC[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001296975448 1383101490 /nfs/dbraw/zinc/10/14/90/1383101490.db2.gz XZKCPHKFRRCCHA-AWEZNQCLSA-N 0 0 333.432 3.316 10 5 EGBERN O=C1Nc2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)cc2CO1 ZINC001163728507 1383115342 /nfs/dbraw/zinc/11/53/42/1383115342.db2.gz MLZSUBMVPSIOIS-UHFFFAOYSA-N 0 0 343.324 3.405 10 5 EGBERN COC(=O)C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC001163728882 1383115421 /nfs/dbraw/zinc/11/54/21/1383115421.db2.gz PFUOSQSJMMSHAU-CYBMUJFWSA-N 0 0 329.356 3.144 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@H](O)C(F)(F)C(F)(F)F)c(Cl)c1 ZINC001163984777 1383143329 /nfs/dbraw/zinc/14/33/29/1383143329.db2.gz XXUCOCZIPGNNFE-QMMMGPOBSA-N 0 0 334.628 3.219 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001164119694 1383158026 /nfs/dbraw/zinc/15/80/26/1383158026.db2.gz FIAATOSEGPSFPQ-HNAYVOBHSA-N 0 0 338.363 3.159 10 5 EGBERN Nc1nc(NCc2ccccc2SC(F)(F)F)ncc1[N+](=O)[O-] ZINC001164325802 1383177925 /nfs/dbraw/zinc/17/79/25/1383177925.db2.gz QFDCBUWFCGPSSX-UHFFFAOYSA-N 0 0 345.306 3.191 10 5 EGBERN O=c1ccnc([C@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3F)CC2)[nH]1 ZINC001164350301 1383179853 /nfs/dbraw/zinc/17/98/53/1383179853.db2.gz IHMVPBLAQXUUBL-XYPYZODXSA-N 0 0 332.335 3.368 10 5 EGBERN Cc1cnc(OCOc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001165746831 1383338061 /nfs/dbraw/zinc/33/80/61/1383338061.db2.gz UQLRLNNBYAZCHB-UHFFFAOYSA-N 0 0 339.145 3.476 10 5 EGBERN Cc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(C)c1 ZINC001165841140 1383351809 /nfs/dbraw/zinc/35/18/09/1383351809.db2.gz LGXCOBBCQWDFRA-UHFFFAOYSA-N 0 0 337.173 3.184 10 5 EGBERN CNc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)s1 ZINC001298190780 1383380322 /nfs/dbraw/zinc/38/03/22/1383380322.db2.gz DFMSZLNJHQXHSM-UHFFFAOYSA-N 0 0 335.389 3.166 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001166101592 1383389958 /nfs/dbraw/zinc/38/99/58/1383389958.db2.gz FZUQVSAMEGTHLT-HNNXBMFYSA-N 0 0 348.362 3.168 10 5 EGBERN O=C(Nc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC001299711317 1383621915 /nfs/dbraw/zinc/62/19/15/1383621915.db2.gz SBPARFFHMCUFMM-UHFFFAOYSA-N 0 0 331.662 3.430 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001299750815 1383626120 /nfs/dbraw/zinc/62/61/20/1383626120.db2.gz RNNRYVMWRZWYFS-RHSMWYFYSA-N 0 0 332.306 3.409 10 5 EGBERN COc1cc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001299753034 1383626467 /nfs/dbraw/zinc/62/64/67/1383626467.db2.gz YNWPBMDWGSLWRL-AEFFLSMTSA-N 0 0 344.342 3.279 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC001300223088 1383653562 /nfs/dbraw/zinc/65/35/62/1383653562.db2.gz STWODAMPWIJDBR-CQSZACIVSA-N 0 0 344.745 3.439 10 5 EGBERN Cc1ccc(C2(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CCC2)cc1 ZINC001300277829 1383657112 /nfs/dbraw/zinc/65/71/12/1383657112.db2.gz DRUAYKBPAKBORS-UHFFFAOYSA-N 0 0 325.368 3.295 10 5 EGBERN CC[C@](C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001300982846 1383688627 /nfs/dbraw/zinc/68/86/27/1383688627.db2.gz ONYBXPWBZCAZPE-AWEZNQCLSA-N 0 0 329.759 3.278 10 5 EGBERN CCc1ccc(C(=O)N[C@@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001300976362 1383688658 /nfs/dbraw/zinc/68/86/58/1383688658.db2.gz YOZITCPXQMMTTK-SFHVURJKSA-N 0 0 334.416 3.218 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001301093098 1383695326 /nfs/dbraw/zinc/69/53/26/1383695326.db2.gz IKIUHLMRGATELP-VEGGFIAOSA-N 0 0 338.363 3.288 10 5 EGBERN CCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1C ZINC001167768592 1383735655 /nfs/dbraw/zinc/73/56/55/1383735655.db2.gz ZXLHAFFURGMCAY-UHFFFAOYSA-N 0 0 340.339 3.431 10 5 EGBERN CCCC[C@@H](O)CCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001301923761 1383736373 /nfs/dbraw/zinc/73/63/73/1383736373.db2.gz YRUSRUYEAWBKGG-LLVKDONJSA-N 0 0 346.786 3.335 10 5 EGBERN CC(C)=C(C)CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528885 1383803036 /nfs/dbraw/zinc/80/30/36/1383803036.db2.gz HQEYGIUVEZPOCO-UHFFFAOYSA-N 0 0 330.388 3.266 10 5 EGBERN CON(Cc1ccc(C)o1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001303824784 1383814865 /nfs/dbraw/zinc/81/48/65/1383814865.db2.gz HTOVGKFSNVRZSF-JKSUJKDBSA-N 0 0 330.340 3.190 10 5 EGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001304193571 1383838640 /nfs/dbraw/zinc/83/86/40/1383838640.db2.gz VOMMZGWVLVSVSX-SNVBAGLBSA-N 0 0 347.302 3.176 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001306862178 1383911697 /nfs/dbraw/zinc/91/16/97/1383911697.db2.gz DUTVINIYQZTZSK-UHFFFAOYSA-N 0 0 335.319 3.330 10 5 EGBERN COc1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001306910818 1383918870 /nfs/dbraw/zinc/91/88/70/1383918870.db2.gz KWCVBLACJQKCDW-UHFFFAOYSA-N 0 0 344.758 3.234 10 5 EGBERN CCOC(=O)C[C@H](C)Sc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001306969884 1383927994 /nfs/dbraw/zinc/92/79/94/1383927994.db2.gz IDUCDPNCXBENRI-VIFPVBQESA-N 0 0 329.374 3.046 10 5 EGBERN CC(C)Cc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001306999389 1383931457 /nfs/dbraw/zinc/93/14/57/1383931457.db2.gz LOVBRIDRCXOMLW-UHFFFAOYSA-N 0 0 349.412 3.184 10 5 EGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H]2CCCC[C@H]21 ZINC001307077762 1383937622 /nfs/dbraw/zinc/93/76/22/1383937622.db2.gz UWKRYJRENOPHLY-KXUCPTDWSA-N 0 0 332.326 3.362 10 5 EGBERN COCCC(C)(C)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001307095746 1383939654 /nfs/dbraw/zinc/93/96/54/1383939654.db2.gz RCVMFVOFQMGULM-UHFFFAOYSA-N 0 0 333.388 3.048 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC001307146685 1383945328 /nfs/dbraw/zinc/94/53/28/1383945328.db2.gz WKRMHTQGAOQALM-NWDGAFQWSA-N 0 0 336.392 3.094 10 5 EGBERN O=C1O[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001307152264 1383946244 /nfs/dbraw/zinc/94/62/44/1383946244.db2.gz ZRYQRIJNDAJHAN-MRVPVSSYSA-N 0 0 346.170 3.297 10 5 EGBERN Cc1cc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001307174358 1383950268 /nfs/dbraw/zinc/95/02/68/1383950268.db2.gz IKNRFNDSJKQIKP-GOEBONIOSA-N 0 0 336.775 3.063 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1NCC[C@H](O)C1CCCC1 ZINC001307190803 1383954091 /nfs/dbraw/zinc/95/40/91/1383954091.db2.gz CTJJZYBGZOGUDP-LBPRGKRZSA-N 0 0 344.209 3.105 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CCC[C@@H](C(F)(F)F)O3)nc2c1 ZINC001307203752 1383955822 /nfs/dbraw/zinc/95/58/22/1383955822.db2.gz IUFORHGYSDDSLE-SKDRFNHKSA-N 0 0 344.293 3.383 10 5 EGBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001307205855 1383957126 /nfs/dbraw/zinc/95/71/26/1383957126.db2.gz TVVVVZVFLMDUKQ-XVKPBYJWSA-N 0 0 335.238 3.025 10 5 EGBERN O=C(CSC[C@@H]1CC1(Cl)Cl)Nc1ccccc1[N+](=O)[O-] ZINC001307295893 1383968265 /nfs/dbraw/zinc/96/82/65/1383968265.db2.gz NWIOSLBLJFYGTA-QMMMGPOBSA-N 0 0 335.212 3.460 10 5 EGBERN Cn1c(=O)oc2ccc(COc3cc([N+](=O)[O-])ccc3Cl)cc21 ZINC001307308854 1383969413 /nfs/dbraw/zinc/96/94/13/1383969413.db2.gz BGJCRHLPTFTJAT-UHFFFAOYSA-N 0 0 334.715 3.272 10 5 EGBERN Cc1nn(Cc2nc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC001307351754 1383975932 /nfs/dbraw/zinc/97/59/32/1383975932.db2.gz BUICRINSNFFPLY-UHFFFAOYSA-N 0 0 337.133 3.052 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(CCOC3CCCCC3)CC2)c1 ZINC001307416346 1383985615 /nfs/dbraw/zinc/98/56/15/1383985615.db2.gz ZPEFVMKWWIBBCZ-UHFFFAOYSA-N 0 0 333.432 3.066 10 5 EGBERN CN(Cc1ccc(Cl)nn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001307571499 1384004297 /nfs/dbraw/zinc/00/42/97/1384004297.db2.gz ITTVYODUCSCARD-UHFFFAOYSA-N 0 0 327.171 3.324 10 5 EGBERN COC[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307838895 1384040159 /nfs/dbraw/zinc/04/01/59/1384040159.db2.gz IKOZPKOZBNUERS-NSHDSACASA-N 0 0 343.221 3.358 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C[C@@H](C)C1=O ZINC001311330113 1384274939 /nfs/dbraw/zinc/27/49/39/1384274939.db2.gz CPGBUAGUEHGQNV-VXGBXAGGSA-N 0 0 341.367 3.437 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@H]1[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001312433740 1384347768 /nfs/dbraw/zinc/34/77/68/1384347768.db2.gz WCOYLEHVYBCMHV-PVAVHDDUSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001312606559 1384359916 /nfs/dbraw/zinc/35/99/16/1384359916.db2.gz VIKRDHXYHWNKOT-JKSUJKDBSA-N 0 0 343.358 3.398 10 5 EGBERN CCCC(O)(CCC)CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001313154198 1384399593 /nfs/dbraw/zinc/39/95/93/1384399593.db2.gz BIQJLLCDNCUGSK-UHFFFAOYSA-N 0 0 337.420 3.034 10 5 EGBERN C[C@@H](CNC(=O)N(C)OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001313352071 1384412373 /nfs/dbraw/zinc/41/23/73/1384412373.db2.gz LLWYKWRVONAPST-AWEZNQCLSA-N 0 0 343.383 3.472 10 5 EGBERN COC(=O)[C@]1(NCc2cc(F)ccc2[N+](=O)[O-])CCCC(C)(C)C1 ZINC001174680280 1385133396 /nfs/dbraw/zinc/13/33/96/1385133396.db2.gz FBWCCFATJHRSRN-KRWDZBQOSA-N 0 0 338.379 3.336 10 5 EGBERN CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001174875654 1385163287 /nfs/dbraw/zinc/16/32/87/1385163287.db2.gz XSXHWMURQCUIJL-KRWDZBQOSA-N 0 0 338.379 3.430 10 5 EGBERN C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001176045517 1385470907 /nfs/dbraw/zinc/47/09/07/1385470907.db2.gz JFJBFEDSBTYRBC-SFHVURJKSA-N 0 0 325.368 3.328 10 5 EGBERN O=C(CN1CCCCC[C@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001176113244 1385487638 /nfs/dbraw/zinc/48/76/38/1385487638.db2.gz IIYRLCSGAOTPEO-ZDUSSCGKSA-N 0 0 345.321 3.340 10 5 EGBERN O=[N+]([O-])c1cc(CN2CCN(c3cc(Cl)ccn3)CC2)cs1 ZINC001176288610 1385539549 /nfs/dbraw/zinc/53/95/49/1385539549.db2.gz PTRALLWWPJXQHD-UHFFFAOYSA-N 0 0 338.820 3.027 10 5 EGBERN C[C@H]1CCC(F)(F)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001176897717 1385736465 /nfs/dbraw/zinc/73/64/65/1385736465.db2.gz NQOXLVVTEBDALV-JTQLQIEISA-N 0 0 338.314 3.264 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1NC1CCCCC1 ZINC001177133811 1385827768 /nfs/dbraw/zinc/82/77/68/1385827768.db2.gz XCIGEKKMGKEEJD-UHFFFAOYSA-N 0 0 343.387 3.325 10 5 EGBERN Cc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1[N+](=O)[O-] ZINC001319151420 1385982574 /nfs/dbraw/zinc/98/25/74/1385982574.db2.gz QDLSYTXSMIUUBX-UHFFFAOYSA-N 0 0 326.139 3.279 10 5 EGBERN CC1(C)CO[C@H](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001177762893 1386037116 /nfs/dbraw/zinc/03/71/16/1386037116.db2.gz DCTHOJSHRZSVNX-SNVBAGLBSA-N 0 0 344.770 3.322 10 5 EGBERN COC(=O)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CC1CCCC1 ZINC001180200056 1386731323 /nfs/dbraw/zinc/73/13/23/1386731323.db2.gz FOLCGMVQMWRRKM-AWEZNQCLSA-N 0 0 348.399 3.003 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc2c(o1)CCCC2 ZINC001180589242 1386843771 /nfs/dbraw/zinc/84/37/71/1386843771.db2.gz LKAUNPAOVHYVRW-UHFFFAOYSA-N 0 0 344.371 3.292 10 5 EGBERN Cc1cc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001181021198 1386917646 /nfs/dbraw/zinc/91/76/46/1386917646.db2.gz ABGBEDWLKNEVBC-CYBMUJFWSA-N 0 0 341.367 3.050 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181021949 1386918017 /nfs/dbraw/zinc/91/80/17/1386918017.db2.gz MLIUCTXDDJNAJQ-AWEZNQCLSA-N 0 0 339.395 3.289 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001181062340 1386928066 /nfs/dbraw/zinc/92/80/66/1386928066.db2.gz IGBVXPDGWUNPIA-ZDUSSCGKSA-N 0 0 334.420 3.484 10 5 EGBERN CC1(C)CO[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001332005388 1389941877 /nfs/dbraw/zinc/94/18/77/1389941877.db2.gz VKQDTAHXWPLEIT-JTQLQIEISA-N 0 0 326.780 3.183 10 5 EGBERN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CF)CCC1 ZINC001332136482 1390002307 /nfs/dbraw/zinc/00/23/07/1390002307.db2.gz PFLRHCQQSGUDPR-UHFFFAOYSA-N 0 0 334.303 3.433 10 5 EGBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC001332170885 1390019143 /nfs/dbraw/zinc/01/91/43/1390019143.db2.gz PBYYNMMELNMFFG-NXEZZACHSA-N 0 0 325.246 3.280 10 5 EGBERN Cn1ccc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC001332478474 1390126372 /nfs/dbraw/zinc/12/63/72/1390126372.db2.gz PFZRZLPBLGACQX-GFCCVEGCSA-N 0 0 348.790 3.002 10 5 EGBERN C[C@]1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[C@]1(F)Cl ZINC001332586821 1390137687 /nfs/dbraw/zinc/13/76/87/1390137687.db2.gz FGAGGKRRFRUJHW-LSDHHAIUSA-N 0 0 341.770 3.325 10 5 EGBERN O=[N+]([O-])c1cc(F)cc(-c2nnc(CCOc3ccccc3)o2)c1 ZINC001333076637 1390245606 /nfs/dbraw/zinc/24/56/06/1390245606.db2.gz GHHYKZKPPNQPTN-UHFFFAOYSA-N 0 0 329.287 3.405 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001333720657 1390383271 /nfs/dbraw/zinc/38/32/71/1390383271.db2.gz CGJSUHXFGBNTCM-OUAUKWLOSA-N 0 0 326.299 3.227 10 5 EGBERN C[C@H](OC1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001335030686 1390632512 /nfs/dbraw/zinc/63/25/12/1390632512.db2.gz XBYIVGKAKXIPGT-JTQLQIEISA-N 0 0 342.342 3.227 10 5 EGBERN CC(C)[C@H]1COCC[C@@H]1OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001344340353 1390784618 /nfs/dbraw/zinc/78/46/18/1390784618.db2.gz AGBBTVJUDCVEKI-WBVHZDCISA-N 0 0 349.383 3.162 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001345639129 1390870975 /nfs/dbraw/zinc/87/09/75/1390870975.db2.gz SGSVKVKWJPAIEY-UIBIWLFHSA-N 0 0 331.368 3.201 10 5 EGBERN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@H](F)C1 ZINC001345656441 1390872784 /nfs/dbraw/zinc/87/27/84/1390872784.db2.gz QEEIOMPSRCIMNA-GWCFXTLKSA-N 0 0 339.319 3.033 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001345689776 1390876710 /nfs/dbraw/zinc/87/67/10/1390876710.db2.gz NWQHWLCLMRZBQM-LBPRGKRZSA-N 0 0 325.361 3.039 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC001346198553 1390914751 /nfs/dbraw/zinc/91/47/51/1390914751.db2.gz YRDXBNOUWFKGIB-LLVKDONJSA-N 0 0 339.298 3.022 10 5 EGBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1csc(N(C)c2ccccc2)n1 ZINC001347430945 1391074471 /nfs/dbraw/zinc/07/44/71/1391074471.db2.gz SFVSNMONQMZOSI-LBPRGKRZSA-N 0 0 335.385 3.123 10 5 EGBERN CN(C)c1cc(F)c(C(=O)Oc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC001347903383 1391143797 /nfs/dbraw/zinc/14/37/97/1391143797.db2.gz UBCGICLSRCPWBG-UHFFFAOYSA-N 0 0 340.257 3.297 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCOC3(CCOCC3)C2)c1 ZINC001347992812 1391155952 /nfs/dbraw/zinc/15/59/52/1391155952.db2.gz JBZBJNOTTBYOMT-AWEZNQCLSA-N 0 0 349.383 3.036 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001348279373 1391198228 /nfs/dbraw/zinc/19/82/28/1391198228.db2.gz KBKACALXMYIPKN-JFIYKMOQSA-N 0 0 346.427 3.191 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC2([C@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001348591599 1391242523 /nfs/dbraw/zinc/24/25/23/1391242523.db2.gz ODKMGQPCASHJHM-XJKSGUPXSA-N 0 0 347.415 3.365 10 5 EGBERN C[C@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001348803068 1391269408 /nfs/dbraw/zinc/26/94/08/1391269408.db2.gz CGWAPDVLLYAMAP-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001348808131 1391270067 /nfs/dbraw/zinc/27/00/67/1391270067.db2.gz JIANYUWSWGNQHW-BXUZGUMPSA-N 0 0 346.408 3.451 10 5 EGBERN COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349293526 1391318067 /nfs/dbraw/zinc/31/80/67/1391318067.db2.gz DHEFCLBRDYVYAK-LSDHHAIUSA-N 0 0 340.335 3.124 10 5 EGBERN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001349558632 1391340900 /nfs/dbraw/zinc/34/09/00/1391340900.db2.gz DQZYZLALLPMEEB-BRWVUGGUSA-N 0 0 328.343 3.039 10 5 EGBERN O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001350231383 1391433660 /nfs/dbraw/zinc/43/36/60/1391433660.db2.gz TWAYLEHRLANIQY-VXGBXAGGSA-N 0 0 328.290 3.463 10 5 EGBERN Cc1c(Br)cc(C(=O)N[C@@H](C)C(F)F)cc1[N+](=O)[O-] ZINC001350309653 1391445016 /nfs/dbraw/zinc/44/50/16/1391445016.db2.gz LEZOSWJPPPIFEB-LURJTMIESA-N 0 0 337.120 3.049 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001350397219 1391458542 /nfs/dbraw/zinc/45/85/42/1391458542.db2.gz OMZDKNPOWMVOEH-INIZCTEOSA-N 0 0 343.314 3.174 10 5 EGBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001350407955 1391459815 /nfs/dbraw/zinc/45/98/15/1391459815.db2.gz ROKAMPZXJRAWBK-UHFFFAOYSA-N 0 0 329.312 3.419 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001350966374 1391569548 /nfs/dbraw/zinc/56/95/48/1391569548.db2.gz ASWDUJLYLOUQIN-IMJJTQAJSA-N 0 0 347.415 3.175 10 5 EGBERN CO[C@@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC001351152400 1391605250 /nfs/dbraw/zinc/60/52/50/1391605250.db2.gz CGETYKISPWIWLV-MRXNPFEDSA-N 0 0 330.315 3.011 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1COc2ccccc2O1 ZINC001351313084 1391625229 /nfs/dbraw/zinc/62/52/29/1391625229.db2.gz UUNMMNXFOJFTSR-ZDUSSCGKSA-N 0 0 328.324 3.072 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1nn(C)c2ccccc12 ZINC001351335837 1391628365 /nfs/dbraw/zinc/62/83/65/1391628365.db2.gz JMIQZEWPKUQKKB-UHFFFAOYSA-N 0 0 338.367 3.280 10 5 EGBERN C[C@@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001351443420 1391640118 /nfs/dbraw/zinc/64/01/18/1391640118.db2.gz CGWAPDVLLYAMAP-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN Cc1ccnc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001351587770 1391654281 /nfs/dbraw/zinc/65/42/81/1391654281.db2.gz FTXSBKYEESZXKA-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN Cc1noc(CSCc2ncccc2Br)c1[N+](=O)[O-] ZINC001351772192 1391687997 /nfs/dbraw/zinc/68/79/97/1391687997.db2.gz RSHNQPVMWWLGIE-UHFFFAOYSA-N 0 0 344.190 3.482 10 5 EGBERN O=C(c1ncccc1-c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001352192475 1391771209 /nfs/dbraw/zinc/77/12/09/1391771209.db2.gz HHPQJSOJYFNMQE-UHFFFAOYSA-N 0 0 346.346 3.255 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001352646283 1391827348 /nfs/dbraw/zinc/82/73/48/1391827348.db2.gz CJOUZGUGPKEPFS-CHWSQXEVSA-N 0 0 345.286 3.384 10 5 EGBERN CC1(C)C(C)(C)C1(C)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001352657905 1391829152 /nfs/dbraw/zinc/82/91/52/1391829152.db2.gz LTRBDCUWUUPTOR-UHFFFAOYSA-N 0 0 334.372 3.149 10 5 EGBERN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC001352703924 1391834891 /nfs/dbraw/zinc/83/48/91/1391834891.db2.gz PJNMHNPFYWVJOF-SFHVURJKSA-N 0 0 340.335 3.014 10 5 EGBERN Cc1ccc(-c2nn(C)cc2C(=O)OCc2ccc([N+](=O)[O-])cc2)o1 ZINC001352762929 1391844875 /nfs/dbraw/zinc/84/48/75/1391844875.db2.gz IWBQVGPYEYPARV-UHFFFAOYSA-N 0 0 341.323 3.254 10 5 EGBERN O=C(NCc1cccc(F)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001352890065 1391872051 /nfs/dbraw/zinc/87/20/51/1391872051.db2.gz BTDKHVRQBJBCSB-UHFFFAOYSA-N 0 0 328.343 3.472 10 5 EGBERN COC(=O)c1ccc(/C=C/C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001353253895 1391975070 /nfs/dbraw/zinc/97/50/70/1391975070.db2.gz BDJJHPWQHYNHAB-MXMFLMJRSA-N 0 0 345.307 3.292 10 5 EGBERN C[C@H](OC(=O)CCc1nnc(C(F)F)o1)c1cccc([N+](=O)[O-])c1 ZINC001353255223 1391975527 /nfs/dbraw/zinc/97/55/27/1391975527.db2.gz PTMZTKIGYKFFMJ-QMMMGPOBSA-N 0 0 341.270 3.152 10 5 EGBERN CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC001353315964 1391987873 /nfs/dbraw/zinc/98/78/73/1391987873.db2.gz ZQRYXTPPZKQXKD-LBPRGKRZSA-N 0 0 337.395 3.452 10 5 EGBERN CCNC(=O)c1ccc(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001353564689 1392039952 /nfs/dbraw/zinc/03/99/52/1392039952.db2.gz HMSFEGCMHJWWOI-UHFFFAOYSA-N 0 0 342.351 3.181 10 5 EGBERN C[C@H](Cc1ccco1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001353640851 1392057412 /nfs/dbraw/zinc/05/74/12/1392057412.db2.gz CNXUBGGJOPCQQG-LLVKDONJSA-N 0 0 339.351 3.284 10 5 EGBERN Cc1occc1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001353674875 1392065003 /nfs/dbraw/zinc/06/50/03/1392065003.db2.gz ISSKWUSISYWIOF-UHFFFAOYSA-N 0 0 337.335 3.488 10 5 EGBERN CN(C(=O)c1ccc(-c2csnn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001353919846 1392108192 /nfs/dbraw/zinc/10/81/92/1392108192.db2.gz IJOXMGCGWIWDAP-UHFFFAOYSA-N 0 0 340.364 3.390 10 5 EGBERN CC[C@H]1CCCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353960736 1392110084 /nfs/dbraw/zinc/11/00/84/1392110084.db2.gz ZOOBDUHTSDLTDI-GUYCJALGSA-N 0 0 345.399 3.269 10 5 EGBERN Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1-n1cccn1 ZINC001354562346 1392152789 /nfs/dbraw/zinc/15/27/89/1392152789.db2.gz CBVGZXDVDLLHDN-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CSc1ccccc1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001354688631 1392161455 /nfs/dbraw/zinc/16/14/55/1392161455.db2.gz JPRJWHSBUFLWCB-UHFFFAOYSA-N 0 0 346.364 3.322 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc2ncccc2o1 ZINC001354875933 1392174468 /nfs/dbraw/zinc/17/44/68/1392174468.db2.gz PGXCTNFXALKQDE-UHFFFAOYSA-N 0 0 339.351 3.489 10 5 EGBERN Cc1c(OC(=O)c2c(C(F)F)nc3cnccn32)cccc1[N+](=O)[O-] ZINC001354883881 1392174876 /nfs/dbraw/zinc/17/48/76/1392174876.db2.gz SBQQUNLQESNSIP-UHFFFAOYSA-N 0 0 348.265 3.103 10 5 EGBERN Cc1ccc(C2=NO[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC001354995802 1392183866 /nfs/dbraw/zinc/18/38/66/1392183866.db2.gz VKEOJOZXZCSAHE-KRWDZBQOSA-N 0 0 339.351 3.343 10 5 EGBERN O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001355003971 1392184921 /nfs/dbraw/zinc/18/49/21/1392184921.db2.gz KIKTWLOQSRAHFB-NSHDSACASA-N 0 0 346.240 3.063 10 5 EGBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001355066269 1392190886 /nfs/dbraw/zinc/19/08/86/1392190886.db2.gz KNBWSFGWUIKNSR-INIZCTEOSA-N 0 0 325.324 3.035 10 5 EGBERN O=C(N[C@@H]1CCCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001687713295 1396468992 /nfs/dbraw/zinc/46/89/92/1396468992.db2.gz AYDKBXBJSKQXPF-OAHLLOKOSA-N 0 0 329.400 3.385 10 5 EGBERN CCCC(C)(C)C(=O)NCC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001732131192 1428378376 /nfs/dbraw/zinc/37/83/76/1428378376.db2.gz KTFBNSQSCNWMTE-UHFFFAOYSA-N 0 0 339.461 3.031 10 5 EGBERN Cc1cc(F)ccc1C(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001705472191 1417122937 /nfs/dbraw/zinc/12/29/37/1417122937.db2.gz OERYJCROSMISLY-UHFFFAOYSA-N 0 0 345.374 3.251 10 5 EGBERN CCCC(C)(C)C(=O)N(C)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001716747765 1420900595 /nfs/dbraw/zinc/90/05/95/1420900595.db2.gz NGMWUJRRQRVHOW-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)SC ZINC001765916104 1441398895 /nfs/dbraw/zinc/39/88/95/1441398895.db2.gz BKVPTCAKSDAGLT-LBPRGKRZSA-N 0 0 349.460 3.451 10 5 EGBERN CS(=O)(=O)c1cc(N2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000125557768 222577914 /nfs/dbraw/zinc/57/79/14/222577914.db2.gz UTTASQBVPWXWAA-UHFFFAOYSA-N 0 0 338.429 3.159 10 5 EGBERN COc1cc(NCCc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000368170853 168320475 /nfs/dbraw/zinc/32/04/75/168320475.db2.gz JZYZEZSWEIVCDT-UHFFFAOYSA-N 0 0 339.355 3.043 10 5 EGBERN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000054149676 214219374 /nfs/dbraw/zinc/21/93/74/214219374.db2.gz BVRLOFHTCMROQU-UHFFFAOYSA-N 0 0 334.303 3.312 10 5 EGBERN CNC(=O)c1ccc(N2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114451530 290627654 /nfs/dbraw/zinc/62/76/54/290627654.db2.gz IJMKDJSWAKYCRS-SFHVURJKSA-N 0 0 329.400 3.281 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000184413066 282168824 /nfs/dbraw/zinc/16/88/24/282168824.db2.gz WWXMONRWCPBPEE-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN NC(=O)c1ccc(CN(Cc2ccco2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000048368645 213934024 /nfs/dbraw/zinc/93/40/24/213934024.db2.gz LOSWPTQRGJCNIP-UHFFFAOYSA-N 0 0 343.383 3.232 10 5 EGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1F ZINC000004070193 210112480 /nfs/dbraw/zinc/11/24/80/210112480.db2.gz XYSVSBPBGYRPPM-UHFFFAOYSA-N 0 0 346.137 3.205 10 5 EGBERN C[C@H]1CC(=O)N(c2ccc(NCc3cccs3)c([N+](=O)[O-])c2)C1=O ZINC000102603539 219213977 /nfs/dbraw/zinc/21/39/77/219213977.db2.gz SXQOFYCBWBMJHK-JTQLQIEISA-N 0 0 345.380 3.168 10 5 EGBERN O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)ncnc1N1CCCC1 ZINC000040609137 213358577 /nfs/dbraw/zinc/35/85/77/213358577.db2.gz JAWLATQRTPXUAA-UHFFFAOYSA-N 0 0 333.779 3.251 10 5 EGBERN COC(=O)c1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000001752586 209789734 /nfs/dbraw/zinc/78/97/34/209789734.db2.gz WXPZPUCFZBUHCH-UHFFFAOYSA-N 0 0 345.311 3.034 10 5 EGBERN Cc1ccc(OCCCCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000040122470 213270118 /nfs/dbraw/zinc/27/01/18/213270118.db2.gz NXRHNXJFTCGACZ-UHFFFAOYSA-N 0 0 343.383 3.196 10 5 EGBERN Cc1ccc(NC(=O)NCCCOCc2ccco2)cc1[N+](=O)[O-] ZINC000040095637 213263803 /nfs/dbraw/zinc/26/38/03/213263803.db2.gz GJFUKHFFQPWBQY-UHFFFAOYSA-N 0 0 333.344 3.225 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000183335741 235014849 /nfs/dbraw/zinc/01/48/49/235014849.db2.gz KQLBUBXJHGVGDX-UHFFFAOYSA-N 0 0 328.416 3.318 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184277032 235353915 /nfs/dbraw/zinc/35/39/15/235353915.db2.gz NYYUCEYPIQVYOI-CQSZACIVSA-N 0 0 348.399 3.097 10 5 EGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000037975704 213178197 /nfs/dbraw/zinc/17/81/97/213178197.db2.gz XKUHJVGBDVYETM-UHFFFAOYSA-N 0 0 330.724 3.188 10 5 EGBERN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1C ZINC000187804431 236305216 /nfs/dbraw/zinc/30/52/16/236305216.db2.gz JMNCSWAMMRFLIY-NOZJJQNGSA-N 0 0 346.305 3.111 10 5 EGBERN C[S@](=O)Cc1cc(Nc2ncccc2[N+](=O)[O-])ccc1Cl ZINC000071908987 215952015 /nfs/dbraw/zinc/95/20/15/215952015.db2.gz VQTXFGAVSPKLFF-OAQYLSRUSA-N 0 0 325.777 3.265 10 5 EGBERN C[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000031664658 212742425 /nfs/dbraw/zinc/74/24/25/212742425.db2.gz PIIAGPZRDNMUKQ-CYBMUJFWSA-N 0 0 340.383 3.168 10 5 EGBERN CCC[C@@H](C)[C@@H]1CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000133156191 283498137 /nfs/dbraw/zinc/49/81/37/283498137.db2.gz WUEFMMXMFDHOEA-OLZOCXBDSA-N 0 0 330.388 3.008 10 5 EGBERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075182485 216595666 /nfs/dbraw/zinc/59/56/66/216595666.db2.gz DXAMJRKBFNUGRS-DGCLKSJQSA-N 0 0 349.387 3.227 10 5 EGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000075291658 216605281 /nfs/dbraw/zinc/60/52/81/216605281.db2.gz RKSBZFPHRDUVLK-CHWSQXEVSA-N 0 0 328.372 3.041 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000354529232 241804148 /nfs/dbraw/zinc/80/41/48/241804148.db2.gz GIJKJFGCSFDFOS-SNVBAGLBSA-N 0 0 338.772 3.482 10 5 EGBERN COc1cccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)c1 ZINC000225515729 241908381 /nfs/dbraw/zinc/90/83/81/241908381.db2.gz XCMDTAKSEVTKLY-SFHVURJKSA-N 0 0 339.351 3.301 10 5 EGBERN O=C(N[C@@H]1CCOc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195137899 284085401 /nfs/dbraw/zinc/08/54/01/284085401.db2.gz CRYATMBWERGZCU-MRXNPFEDSA-N 0 0 337.335 3.330 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000078733492 217111393 /nfs/dbraw/zinc/11/13/93/217111393.db2.gz JYTYXOIVTVJZPF-HSZRJFAPSA-N 0 0 332.381 3.034 10 5 EGBERN O=C(Nc1cccc2c1OCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000370487496 284358483 /nfs/dbraw/zinc/35/84/83/284358483.db2.gz KTCPRNCREVGQKA-UHFFFAOYSA-N 0 0 338.323 3.048 10 5 EGBERN COC(=O)c1cc(C)nc(N2Cc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000342825185 284526393 /nfs/dbraw/zinc/52/63/93/284526393.db2.gz OKVSDNOIBKUOOJ-LLVKDONJSA-N 0 0 327.340 3.166 10 5 EGBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000378387355 169111594 /nfs/dbraw/zinc/11/15/94/169111594.db2.gz DEGKEUXTDUSDEN-WFASDCNBSA-N 0 0 332.381 3.164 10 5 EGBERN CC1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000407980632 169154955 /nfs/dbraw/zinc/15/49/55/169154955.db2.gz NFKSJFDKSWQXMP-BETUJISGSA-N 0 0 331.416 3.169 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]2COCC[C@@H]21 ZINC000408001044 169155811 /nfs/dbraw/zinc/15/58/11/169155811.db2.gz MEIUQYXAGGBQBY-FZMZJTMJSA-N 0 0 346.408 3.451 10 5 EGBERN C[C@@H]1N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC12CCOCC2 ZINC000408209339 169165803 /nfs/dbraw/zinc/16/58/03/169165803.db2.gz ZVIZIUCSYHMBFD-LBPRGKRZSA-N 0 0 343.383 3.107 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nc(Cn1ccnc1)n2-c1ccc(F)cc1 ZINC000011407965 211215383 /nfs/dbraw/zinc/21/53/83/211215383.db2.gz CKGFGZCYBHAJRI-UHFFFAOYSA-N 0 0 337.314 3.318 10 5 EGBERN O=C(c1cnc2cnccc2c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000341336913 296286855 /nfs/dbraw/zinc/28/68/55/296286855.db2.gz AKKCEZNTVKZKQZ-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN COc1cc(NCc2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1F ZINC000095411920 218349029 /nfs/dbraw/zinc/34/90/29/218349029.db2.gz SYXPZONKPVYKKW-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN CCN(C[C@@H](C)OC)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000362291735 285015247 /nfs/dbraw/zinc/01/52/47/285015247.db2.gz WPUWYYIDIIDCFG-SECBINFHSA-N 0 0 334.294 3.111 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005446530 210464892 /nfs/dbraw/zinc/46/48/92/210464892.db2.gz RQTXREWEWSMMFD-VMPITWQZSA-N 0 0 343.295 3.164 10 5 EGBERN COc1ccc(C(=O)[C@H](C)Oc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000005051292 210376030 /nfs/dbraw/zinc/37/60/30/210376030.db2.gz IIVCXJIJDAHTQV-NSHDSACASA-N 0 0 331.324 3.262 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2Cc2c(F)cccc2Cl)nc1 ZINC000364909854 285173765 /nfs/dbraw/zinc/17/37/65/285173765.db2.gz XVDUMFOPKPSIHI-JTQLQIEISA-N 0 0 336.754 3.389 10 5 EGBERN O=c1c2ccccc2oc2nc3ccc(CN4CCOCC4)cc3cc12 ZINC000012788497 285213266 /nfs/dbraw/zinc/21/32/66/285213266.db2.gz PHASARDSGKVVNZ-UHFFFAOYSA-N 0 0 346.386 3.327 10 5 EGBERN Cc1sc(C(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000118735829 221175568 /nfs/dbraw/zinc/17/55/68/221175568.db2.gz WWMBSUBYBRGIMQ-VIFPVBQESA-N 0 0 344.396 3.342 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189860396 533464366 /nfs/dbraw/zinc/46/43/66/533464366.db2.gz RBHDAAAHGJCABY-TVQRCGJNSA-N 0 0 327.768 3.137 10 5 EGBERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263522647 141055674 /nfs/dbraw/zinc/05/56/74/141055674.db2.gz RTFASQRCLOLSCI-MRXNPFEDSA-N 0 0 328.368 3.161 10 5 EGBERN CN(C)c1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341175028 141131685 /nfs/dbraw/zinc/13/16/85/141131685.db2.gz DYPNSZOCPWKZIF-UHFFFAOYSA-N 0 0 335.310 3.120 10 5 EGBERN COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc2cccnc21 ZINC000341205267 141138211 /nfs/dbraw/zinc/13/82/11/141138211.db2.gz VDYLGCOBRFGIGU-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341307229 142631762 /nfs/dbraw/zinc/63/17/62/142631762.db2.gz GJYOFISTJFDAPF-SNVBAGLBSA-N 0 0 336.294 3.129 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1Br ZINC000147646768 143972849 /nfs/dbraw/zinc/97/28/49/143972849.db2.gz YMTFDYMAVNXNCY-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000171920496 144012613 /nfs/dbraw/zinc/01/26/13/144012613.db2.gz PRCCSTNWJYYHFD-OAHLLOKOSA-N 0 0 348.424 3.263 10 5 EGBERN COc1cccc(NCc2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] ZINC000185190721 144106558 /nfs/dbraw/zinc/10/65/58/144106558.db2.gz GOLWHQNDOXAVRB-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185316926 144110489 /nfs/dbraw/zinc/11/04/89/144110489.db2.gz YXRRDIIRBOJDIL-JTQLQIEISA-N 0 0 345.403 3.127 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186610350 144138802 /nfs/dbraw/zinc/13/88/02/144138802.db2.gz PNRCFHZFHOCGNB-SFHVURJKSA-N 0 0 328.343 3.365 10 5 EGBERN CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000192386305 144173858 /nfs/dbraw/zinc/17/38/58/144173858.db2.gz JPPMAGLZCCUSTA-LLVKDONJSA-N 0 0 346.309 3.432 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000363874852 144372970 /nfs/dbraw/zinc/37/29/70/144372970.db2.gz XAAFYARHSWCIEI-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN Cc1cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC000374648789 144552441 /nfs/dbraw/zinc/55/24/41/144552441.db2.gz REGSWTDWMWFWTB-HNNXBMFYSA-N 0 0 325.368 3.003 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000341112678 155166322 /nfs/dbraw/zinc/16/63/22/155166322.db2.gz WVPAVCWQTMLSME-SWLSCSKDSA-N 0 0 344.371 3.499 10 5 EGBERN Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000341112673 155166395 /nfs/dbraw/zinc/16/63/95/155166395.db2.gz WVPAVCWQTMLSME-IUODEOHRSA-N 0 0 344.371 3.499 10 5 EGBERN CO[C@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000346894131 285988762 /nfs/dbraw/zinc/98/87/62/285988762.db2.gz JUGJGQPDDAEPKK-GFCCVEGCSA-N 0 0 346.261 3.038 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1csc(C(F)(F)F)n1 ZINC000341348714 155247944 /nfs/dbraw/zinc/24/79/44/155247944.db2.gz HWIXYDGATGDACD-UHFFFAOYSA-N 0 0 345.302 3.043 10 5 EGBERN CCc1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000341413613 155279311 /nfs/dbraw/zinc/27/93/11/155279311.db2.gz WUGVFNGUWDUHIZ-MRXNPFEDSA-N 0 0 332.400 3.188 10 5 EGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220488 152000046 /nfs/dbraw/zinc/00/00/46/152000046.db2.gz JBHGYSGPDRXYNH-UHFFFAOYSA-N 0 0 344.342 3.418 10 5 EGBERN COc1cc(F)ccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115550635 152017489 /nfs/dbraw/zinc/01/74/89/152017489.db2.gz MMFJTAVCZBRNFF-UHFFFAOYSA-N 0 0 345.374 3.065 10 5 EGBERN Cn1ccnc1CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116278441 152054919 /nfs/dbraw/zinc/05/49/19/152054919.db2.gz VMCLFGVDSQLVDZ-UHFFFAOYSA-N 0 0 348.834 3.436 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(Nc2cccnn2)CC1 ZINC000116277813 152056035 /nfs/dbraw/zinc/05/60/35/152056035.db2.gz LZHZKPAGCZOBDZ-UHFFFAOYSA-N 0 0 347.806 3.115 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)onc2CC)cc1OC ZINC000120933112 152311389 /nfs/dbraw/zinc/31/13/89/152311389.db2.gz XOHMLZYURURZFN-UHFFFAOYSA-N 0 0 349.343 3.113 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121402677 152348782 /nfs/dbraw/zinc/34/87/82/152348782.db2.gz OIBRMIAZUXPIAO-HNNXBMFYSA-N 0 0 341.367 3.330 10 5 EGBERN COc1cc(NCCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000154492917 152587027 /nfs/dbraw/zinc/58/70/27/152587027.db2.gz GSLGTBRMXLFDPJ-NHYWBVRUSA-N 0 0 326.368 3.486 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000172036884 152798803 /nfs/dbraw/zinc/79/88/03/152798803.db2.gz CKMLKGHHOAGYAP-QLJPJBMISA-N 0 0 328.324 3.107 10 5 EGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000189805077 153099732 /nfs/dbraw/zinc/09/97/32/153099732.db2.gz AYFUTILGIQRNRF-GFCCVEGCSA-N 0 0 338.385 3.153 10 5 EGBERN Cc1cccc2c1OCC[C@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000190150266 153120992 /nfs/dbraw/zinc/12/09/92/153120992.db2.gz WZWWCKYTGUEOER-QGZVFWFLSA-N 0 0 340.379 3.476 10 5 EGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000190447303 153143262 /nfs/dbraw/zinc/14/32/62/153143262.db2.gz PIPCHZWTIVMVNW-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000341608415 155380309 /nfs/dbraw/zinc/38/03/09/155380309.db2.gz IJPJTCVUAIHJSN-UHFFFAOYSA-N 0 0 343.339 3.204 10 5 EGBERN CC(C)c1ccc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000194314802 153330191 /nfs/dbraw/zinc/33/01/91/153330191.db2.gz XMEQOPZZNGGSOO-ZDUSSCGKSA-N 0 0 330.388 3.182 10 5 EGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000195185012 153387311 /nfs/dbraw/zinc/38/73/11/153387311.db2.gz JTUFBCNCQPBMIS-JTQLQIEISA-N 0 0 349.350 3.443 10 5 EGBERN C[C@@H](c1ccncc1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341632583 155392277 /nfs/dbraw/zinc/39/22/77/155392277.db2.gz IFVPTEAWUFVVQD-JTQLQIEISA-N 0 0 335.310 3.030 10 5 EGBERN Cc1c(Br)c(N[C@H]2CCC[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000312731134 154152978 /nfs/dbraw/zinc/15/29/78/154152978.db2.gz JGOKHYDQMWRBSU-UWVGGRQHSA-N 0 0 344.209 3.024 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2c1cccc2F ZINC000340113100 155102103 /nfs/dbraw/zinc/10/21/03/155102103.db2.gz WDRAVBUPQIUJAH-QGZVFWFLSA-N 0 0 343.358 3.263 10 5 EGBERN Cc1cccc(-c2nnc(Sc3ccncc3[N+](=O)[O-])n2C)c1 ZINC000340150690 155114870 /nfs/dbraw/zinc/11/48/70/155114870.db2.gz AYHVWDDKJLLMNH-UHFFFAOYSA-N 0 0 327.369 3.245 10 5 EGBERN Cc1ccc(-c2nnc(Sc3ccncc3[N+](=O)[O-])n2C)cc1 ZINC000340155339 155115928 /nfs/dbraw/zinc/11/59/28/155115928.db2.gz QPANRGPSGITOGS-UHFFFAOYSA-N 0 0 327.369 3.245 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343036718 155622483 /nfs/dbraw/zinc/62/24/83/155622483.db2.gz BIPQKJCHQAUSSN-UHFFFAOYSA-N 0 0 330.731 3.055 10 5 EGBERN C[C@H](NC(=O)c1cc(-n2cccc2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000345138403 155952924 /nfs/dbraw/zinc/95/29/24/155952924.db2.gz VGLQLDLZHAWBSA-ZDUSSCGKSA-N 0 0 336.351 3.272 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000346981460 156228095 /nfs/dbraw/zinc/22/80/95/156228095.db2.gz LUNVDKAIRZZYHF-UHFFFAOYSA-N 0 0 336.344 3.003 10 5 EGBERN CCNC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000360101541 156917467 /nfs/dbraw/zinc/91/74/67/156917467.db2.gz LMKZYKMHQVQAAP-UHFFFAOYSA-N 0 0 329.360 3.208 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CO)c(Cl)c2)c1 ZINC000362204806 157073400 /nfs/dbraw/zinc/07/34/00/157073400.db2.gz WJPFXGQIUPANAB-UHFFFAOYSA-N 0 0 336.731 3.001 10 5 EGBERN COc1ccc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000067286354 161592319 /nfs/dbraw/zinc/59/23/19/161592319.db2.gz WWLCIKUIHTXLGU-LLVKDONJSA-N 0 0 347.346 3.032 10 5 EGBERN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073304056 161666929 /nfs/dbraw/zinc/66/69/29/161666929.db2.gz IWVCBURQQOSSQH-UHFFFAOYSA-N 0 0 344.415 3.270 10 5 EGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000105846935 162058421 /nfs/dbraw/zinc/05/84/21/162058421.db2.gz WUOKLASIZURSIG-MRXNPFEDSA-N 0 0 342.399 3.231 10 5 EGBERN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3F)n2)cc1OC ZINC000109464300 162100977 /nfs/dbraw/zinc/10/09/77/162100977.db2.gz SICXXIZAURCSKW-UHFFFAOYSA-N 0 0 345.286 3.468 10 5 EGBERN Cc1c(NC(=O)c2cnc(-c3cnn(C)c3)s2)cccc1[N+](=O)[O-] ZINC000112164264 162163937 /nfs/dbraw/zinc/16/39/37/162163937.db2.gz TYMSTFPOTNCFEJ-UHFFFAOYSA-N 0 0 343.368 3.013 10 5 EGBERN CC[C@H](NC(=O)N1CCCCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000354144612 165973668 /nfs/dbraw/zinc/97/36/68/165973668.db2.gz UTGLZJHHBIJGHN-RDJZCZTQSA-N 0 0 349.431 3.383 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nccn2CC(C)C)c1 ZINC000131508931 162402866 /nfs/dbraw/zinc/40/28/66/162402866.db2.gz DPXFIMQMZHAXPE-UHFFFAOYSA-N 0 0 348.428 3.099 10 5 EGBERN Cc1ccc(CO)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000305638507 163079726 /nfs/dbraw/zinc/07/97/26/163079726.db2.gz APEUMYQWUQXPEO-UHFFFAOYSA-N 0 0 325.324 3.129 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(SC)cc2)n1 ZINC000337108405 163129796 /nfs/dbraw/zinc/12/97/96/163129796.db2.gz KJYROQUHNMNJOF-SNVBAGLBSA-N 0 0 334.401 3.024 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccc(Cl)cc3n2)n1 ZINC000337161127 163148256 /nfs/dbraw/zinc/14/82/56/163148256.db2.gz UFVGROLLTFJBMB-UHFFFAOYSA-N 0 0 345.746 3.265 10 5 EGBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1Cc2ccccc2C1 ZINC000338888867 163376791 /nfs/dbraw/zinc/37/67/91/163376791.db2.gz APZZPISOULPFCK-UHFFFAOYSA-N 0 0 335.363 3.316 10 5 EGBERN O=C(N[C@H](c1cccnc1)C1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340402453 163571085 /nfs/dbraw/zinc/57/10/85/163571085.db2.gz PYLUZXCAQSPNQM-KRWDZBQOSA-N 0 0 336.351 3.352 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1(c2ccccc2)CC1 ZINC000341944829 163744721 /nfs/dbraw/zinc/74/47/21/163744721.db2.gz NRXORVLDSJOJLH-UHFFFAOYSA-N 0 0 332.306 3.221 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCC(F)(F)CC1 ZINC000343700498 164016018 /nfs/dbraw/zinc/01/60/18/164016018.db2.gz ZGGLSLVBZMTBCC-UHFFFAOYSA-N 0 0 334.269 3.110 10 5 EGBERN CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000344198325 164124354 /nfs/dbraw/zinc/12/43/54/164124354.db2.gz BREZTNVJPWQIFE-OAHLLOKOSA-N 0 0 341.367 3.160 10 5 EGBERN COc1cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(OC)c1 ZINC000344205101 164126770 /nfs/dbraw/zinc/12/67/70/164126770.db2.gz DWJYVDUHPMPJLQ-UHFFFAOYSA-N 0 0 348.330 3.023 10 5 EGBERN CSCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680408 164241346 /nfs/dbraw/zinc/24/13/46/164241346.db2.gz FCUARUICFYMKHP-AWEZNQCLSA-N 0 0 326.443 3.312 10 5 EGBERN COCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000345690558 164244087 /nfs/dbraw/zinc/24/40/87/164244087.db2.gz UCHQQMQVNXMFOR-MRXNPFEDSA-N 0 0 348.380 3.222 10 5 EGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(F)(F)F ZINC000346005507 164315660 /nfs/dbraw/zinc/31/56/60/164315660.db2.gz YPRBJMCQVLXPBM-YFKPBYRVSA-N 0 0 330.184 3.294 10 5 EGBERN C[C@@H]1CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000346088691 164334486 /nfs/dbraw/zinc/33/44/86/164334486.db2.gz UJPSYVVQERLBAQ-PELKAZGASA-N 0 0 331.294 3.211 10 5 EGBERN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346545471 164394101 /nfs/dbraw/zinc/39/41/01/164394101.db2.gz ATMARBWMUQERQY-SFHVURJKSA-N 0 0 338.342 3.403 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cc(C)cc(C)n2)no1 ZINC000346547009 164394542 /nfs/dbraw/zinc/39/45/42/164394542.db2.gz AHWVHSTYDBKLLA-UHFFFAOYSA-N 0 0 326.312 3.332 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)NCc2cccnn2)cc1[N+](=O)[O-] ZINC000347165285 164453905 /nfs/dbraw/zinc/45/39/05/164453905.db2.gz GWXURIDDRUKARW-UHFFFAOYSA-N 0 0 329.360 3.004 10 5 EGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351650499 165114648 /nfs/dbraw/zinc/11/46/48/165114648.db2.gz OZWQBLASEQYDLT-VIFPVBQESA-N 0 0 347.302 3.345 10 5 EGBERN CCNC(=O)c1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352020491 165195089 /nfs/dbraw/zinc/19/50/89/165195089.db2.gz IIVCUCQFABRMKH-UHFFFAOYSA-N 0 0 343.383 3.274 10 5 EGBERN COc1cc(CNc2ccc(F)c(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000352280163 165324759 /nfs/dbraw/zinc/32/47/59/165324759.db2.gz QKJLLOSKCJBQQE-UHFFFAOYSA-N 0 0 333.319 3.313 10 5 EGBERN COc1cc(CNc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000352290886 165326613 /nfs/dbraw/zinc/32/66/13/165326613.db2.gz UVKQHMVPPYJSLD-UHFFFAOYSA-N 0 0 341.367 3.342 10 5 EGBERN CC(C)c1ccccc1OC[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000352432024 165399518 /nfs/dbraw/zinc/39/95/18/165399518.db2.gz QDTNALWXKVIHOG-AWEZNQCLSA-N 0 0 345.399 3.232 10 5 EGBERN COCCNC(=O)c1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353866569 165908011 /nfs/dbraw/zinc/90/80/11/165908011.db2.gz IEDGCYOHKKFZPT-ZDUSSCGKSA-N 0 0 343.383 3.144 10 5 EGBERN Cc1c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000355182665 166125820 /nfs/dbraw/zinc/12/58/20/166125820.db2.gz DTEOQPNEXCBYJZ-CMPLNLGQSA-N 0 0 330.306 3.498 10 5 EGBERN COc1ccc(F)c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000355215610 166136411 /nfs/dbraw/zinc/13/64/11/166136411.db2.gz AMAWWLPUAIMEAO-UHFFFAOYSA-N 0 0 329.287 3.476 10 5 EGBERN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000355328523 166164744 /nfs/dbraw/zinc/16/47/44/166164744.db2.gz AVUZPIMPWBOZHN-ZJUUUORDSA-N 0 0 333.310 3.126 10 5 EGBERN Cc1sc(C(=O)NCCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000355741811 166293382 /nfs/dbraw/zinc/29/33/82/166293382.db2.gz XRBVNZLEZUDOIV-UHFFFAOYSA-N 0 0 344.314 3.355 10 5 EGBERN CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1[N+](=O)[O-] ZINC000355855038 166328845 /nfs/dbraw/zinc/32/88/45/166328845.db2.gz RCQISIPYWOWULD-UHFFFAOYSA-N 0 0 326.312 3.414 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccnc(-n3cccn3)c2)no1 ZINC000355871145 166334176 /nfs/dbraw/zinc/33/41/76/166334176.db2.gz SZONSSYUYAUVPL-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCc2cccnc21 ZINC000356006479 166373564 /nfs/dbraw/zinc/37/35/64/166373564.db2.gz FDZBEMUGXCXJPU-AWEZNQCLSA-N 0 0 328.372 3.248 10 5 EGBERN Cc1nn(C)c(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1[N+](=O)[O-] ZINC000356527117 166441051 /nfs/dbraw/zinc/44/10/51/166441051.db2.gz PGIYQOCZZSXANH-SNVBAGLBSA-N 0 0 327.344 3.147 10 5 EGBERN NC(=O)c1ccnc(NCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000357326581 166647083 /nfs/dbraw/zinc/64/70/83/166647083.db2.gz GJKTXIBTTMPHFQ-UHFFFAOYSA-N 0 0 341.154 3.008 10 5 EGBERN CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000358910193 167002654 /nfs/dbraw/zinc/00/26/54/167002654.db2.gz TVSGQYOCYKVNCI-AWEZNQCLSA-N 0 0 331.372 3.052 10 5 EGBERN Cc1cc(=O)[nH]cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000358924588 167007450 /nfs/dbraw/zinc/00/74/50/167007450.db2.gz COPNXHRKUWSTKA-JTQLQIEISA-N 0 0 333.369 3.123 10 5 EGBERN C[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H]1C ZINC000358979247 167026507 /nfs/dbraw/zinc/02/65/07/167026507.db2.gz LJRNMBVWDPQENZ-UWVGGRQHSA-N 0 0 328.315 3.457 10 5 EGBERN O=C(NCCC1=CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359001871 167034421 /nfs/dbraw/zinc/03/44/21/167034421.db2.gz MZNPHMDRUWDXFA-UHFFFAOYSA-N 0 0 326.299 3.426 10 5 EGBERN C[C@]1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCS1 ZINC000359005331 167035497 /nfs/dbraw/zinc/03/54/97/167035497.db2.gz ULZXTRXWCDYOBV-CQSZACIVSA-N 0 0 346.355 3.212 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccco2)C[C@@H]2CCCO2)n1 ZINC000359089617 167063945 /nfs/dbraw/zinc/06/39/45/167063945.db2.gz BPINYAVWYJEMDR-HNNXBMFYSA-N 0 0 331.372 3.385 10 5 EGBERN COc1cccc([C@H]2CN(c3nc(C)cc(C)c3[N+](=O)[O-])CCO2)c1 ZINC000359095105 167065493 /nfs/dbraw/zinc/06/54/93/167065493.db2.gz JPEQEYWYLBSRKP-MRXNPFEDSA-N 0 0 343.383 3.193 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2nc3cc(F)ccc3[nH]2)n1 ZINC000359102620 167067460 /nfs/dbraw/zinc/06/74/60/167067460.db2.gz SRAOJNIFYFYJEJ-UHFFFAOYSA-N 0 0 329.335 3.277 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000359122994 167073885 /nfs/dbraw/zinc/07/38/85/167073885.db2.gz IMPWTLOHGKABRX-GFCCVEGCSA-N 0 0 330.388 3.043 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359134503 167077633 /nfs/dbraw/zinc/07/76/33/167077633.db2.gz CNVNMQFOFUKOLJ-UHFFFAOYSA-N 0 0 343.383 3.092 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359189215 167091445 /nfs/dbraw/zinc/09/14/45/167091445.db2.gz DBRDTBZUNJHGLT-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359189150 167091526 /nfs/dbraw/zinc/09/15/26/167091526.db2.gz DBRDTBZUNJHGLT-BLLLJJGKSA-N 0 0 338.429 3.104 10 5 EGBERN O=C(Nc1ncccc1Cl)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359427346 167153079 /nfs/dbraw/zinc/15/30/79/167153079.db2.gz WYXOPOWMLBVSHH-UHFFFAOYSA-N 0 0 343.673 3.497 10 5 EGBERN COC(=O)c1cc(F)ccc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000359431805 167155358 /nfs/dbraw/zinc/15/53/58/167155358.db2.gz GOBCLORYYZKIPU-UHFFFAOYSA-N 0 0 343.314 3.227 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc21 ZINC000359490377 167170344 /nfs/dbraw/zinc/17/03/44/167170344.db2.gz XLOBYGCFQROYCD-UHFFFAOYSA-N 0 0 341.367 3.213 10 5 EGBERN Cc1c(CNC(=O)NCCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000359534325 167182061 /nfs/dbraw/zinc/18/20/61/167182061.db2.gz RGONARSVCRDFQN-RHSMWYFYSA-N 0 0 349.431 3.034 10 5 EGBERN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H](C)CO2)c1 ZINC000359541171 167186212 /nfs/dbraw/zinc/18/62/12/167186212.db2.gz XQKMRHXTAVTPRL-CZUORRHYSA-N 0 0 343.383 3.142 10 5 EGBERN Cc1cccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)c1[N+](=O)[O-] ZINC000359808619 167238704 /nfs/dbraw/zinc/23/87/04/167238704.db2.gz ZGYASKVYTPQSJD-UHFFFAOYSA-N 0 0 337.335 3.087 10 5 EGBERN COc1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000359847802 167247589 /nfs/dbraw/zinc/24/75/89/167247589.db2.gz GFBLXJANIXRKPE-LBPRGKRZSA-N 0 0 334.294 3.229 10 5 EGBERN CCOc1cc(N[C@@H](CC(=O)NC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000360283455 167289101 /nfs/dbraw/zinc/28/91/01/167289101.db2.gz IVXURAMBCPIYLN-HNNXBMFYSA-N 0 0 343.383 3.283 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000360515795 167346648 /nfs/dbraw/zinc/34/66/48/167346648.db2.gz QCRHCIWEVPMVSS-LLVKDONJSA-N 0 0 330.388 3.309 10 5 EGBERN CNc1c(C(=O)N2CCc3cc(F)c(F)cc32)cccc1[N+](=O)[O-] ZINC000361145706 167537357 /nfs/dbraw/zinc/53/73/57/167537357.db2.gz NOTHNAATKZGQBL-UHFFFAOYSA-N 0 0 333.294 3.118 10 5 EGBERN CC(C)Cc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000365116618 168023836 /nfs/dbraw/zinc/02/38/36/168023836.db2.gz KQTMPLNDBJCZCE-UHFFFAOYSA-N 0 0 349.460 3.283 10 5 EGBERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366139977 168087173 /nfs/dbraw/zinc/08/71/73/168087173.db2.gz FOXZQONXJJSKKP-DVOMOZLQSA-N 0 0 325.368 3.397 10 5 EGBERN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366189182 168091942 /nfs/dbraw/zinc/09/19/42/168091942.db2.gz DHYLLNOFCDFBFV-KBPBESRZSA-N 0 0 325.368 3.316 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOc2cccc(F)c2C1 ZINC000367172573 168188431 /nfs/dbraw/zinc/18/84/31/168188431.db2.gz NAEBJXSUMZXPLA-UHFFFAOYSA-N 0 0 331.303 3.160 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCC2CCCCC2)n1 ZINC000367557327 168241417 /nfs/dbraw/zinc/24/14/17/168241417.db2.gz POTQVNJCBORESG-AWEZNQCLSA-N 0 0 334.420 3.293 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1NCc1cccnc1-n1ccnc1 ZINC000367643986 168254494 /nfs/dbraw/zinc/25/44/94/168254494.db2.gz MPZHJNMDCZXTLM-UHFFFAOYSA-N 0 0 329.747 3.441 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158829799 225092412 /nfs/dbraw/zinc/09/24/12/225092412.db2.gz GQEODDDJQKNWBZ-NWDGAFQWSA-N 0 0 333.262 3.170 10 5 EGBERN Cc1cccc(C(C)C)c1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000120531522 221604994 /nfs/dbraw/zinc/60/49/94/221604994.db2.gz YHAXYQQGAVMMCC-UHFFFAOYSA-N 0 0 331.376 3.045 10 5 EGBERN CCOC(=O)CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])C(C)(C)C ZINC000122414646 222082829 /nfs/dbraw/zinc/08/28/29/222082829.db2.gz LPWCYMPTWWTICU-UHFFFAOYSA-N 0 0 336.388 3.097 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000122899636 222180529 /nfs/dbraw/zinc/18/05/29/222180529.db2.gz NYMDQMSZMUYLEM-AWEZNQCLSA-N 0 0 345.359 3.086 10 5 EGBERN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccnc1 ZINC000123359544 222263916 /nfs/dbraw/zinc/26/39/16/222263916.db2.gz ROUHPFFCKKKGCC-AWEZNQCLSA-N 0 0 327.384 3.450 10 5 EGBERN CCC1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000123910101 222349757 /nfs/dbraw/zinc/34/97/57/222349757.db2.gz UJXRDSHNKGMWEZ-UHFFFAOYSA-N 0 0 326.418 3.379 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C(=O)CCC2 ZINC000087225095 264684339 /nfs/dbraw/zinc/68/43/39/264684339.db2.gz GXNKOFRDZDUPDU-UHFFFAOYSA-N 0 0 345.380 3.142 10 5 EGBERN CCC(CC)CS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090222971 264714263 /nfs/dbraw/zinc/71/42/63/264714263.db2.gz VSPBCOATLFZVCX-HNNXBMFYSA-N 0 0 328.434 3.402 10 5 EGBERN COC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)c1 ZINC000174868447 265075751 /nfs/dbraw/zinc/07/57/51/265075751.db2.gz KGPUBRKSVZZMFI-UHFFFAOYSA-N 0 0 339.307 3.407 10 5 EGBERN CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000174910006 265079864 /nfs/dbraw/zinc/07/98/64/265079864.db2.gz AFDDXMPMLFRZSM-UHFFFAOYSA-N 0 0 327.178 3.420 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000176731454 265199491 /nfs/dbraw/zinc/19/94/91/265199491.db2.gz NLJWTGVSJCUFJD-BMLIUANNSA-N 0 0 343.358 3.491 10 5 EGBERN CC[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177806819 265278245 /nfs/dbraw/zinc/27/82/45/265278245.db2.gz YIOIDORRIYTORX-OAHLLOKOSA-N 0 0 349.431 3.105 10 5 EGBERN CC(C)(C)NC(=O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178702723 265337073 /nfs/dbraw/zinc/33/70/73/265337073.db2.gz KVTVTZHQRPHIEG-UHFFFAOYSA-N 0 0 342.395 3.479 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2ccc(C(C)C)cc2)n1 ZINC000191620255 265920945 /nfs/dbraw/zinc/92/09/45/265920945.db2.gz FRNVVMLUJNXSBU-UHFFFAOYSA-N 0 0 344.415 3.297 10 5 EGBERN CC(C)Oc1c(Cl)cccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270816571 266562467 /nfs/dbraw/zinc/56/24/67/266562467.db2.gz QJAQNWUAFYEFOY-UHFFFAOYSA-N 0 0 338.751 3.021 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274961616 267311421 /nfs/dbraw/zinc/31/14/21/267311421.db2.gz URLQRTUBLUTTII-GFCCVEGCSA-N 0 0 343.387 3.127 10 5 EGBERN CC[C@H]1CO[C@@H](C)CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275923862 267451267 /nfs/dbraw/zinc/45/12/67/267451267.db2.gz QJUNJUDQFJWDQE-JQWIXIFHSA-N 0 0 326.780 3.196 10 5 EGBERN CO[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000278271779 267976687 /nfs/dbraw/zinc/97/66/87/267976687.db2.gz FIAPZMDYRVASHR-ZANVPECISA-N 0 0 326.780 3.054 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000278454966 268017555 /nfs/dbraw/zinc/01/75/55/268017555.db2.gz UZHGLGDUKLOGEF-SNVBAGLBSA-N 0 0 331.294 3.079 10 5 EGBERN Cc1ccc(Cl)c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])nc12 ZINC000343013406 274745080 /nfs/dbraw/zinc/74/50/80/274745080.db2.gz IKFFUQYMETYQPQ-UHFFFAOYSA-N 0 0 345.746 3.091 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Br ZINC000047835334 275143518 /nfs/dbraw/zinc/14/35/18/275143518.db2.gz VIGULFVLSFEJGL-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(OC)c1 ZINC000103376599 275161840 /nfs/dbraw/zinc/16/18/40/275161840.db2.gz GGIRVSLWOGXRHC-NSHDSACASA-N 0 0 342.351 3.203 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000106604318 275169337 /nfs/dbraw/zinc/16/93/37/275169337.db2.gz OLAQXOVJBWZWLE-IRXDYDNUSA-N 0 0 338.363 3.296 10 5 EGBERN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000120765084 275190686 /nfs/dbraw/zinc/19/06/86/275190686.db2.gz GCGBGCSMUZJENL-HNNXBMFYSA-N 0 0 344.342 3.401 10 5 EGBERN CCCCc1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184987111 275214382 /nfs/dbraw/zinc/21/43/82/275214382.db2.gz WZGWPFMQBJXOQQ-UHFFFAOYSA-N 0 0 328.328 3.448 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000191755559 275222420 /nfs/dbraw/zinc/22/24/20/275222420.db2.gz VRGMNLJVRSHJBK-WCQYABFASA-N 0 0 347.396 3.016 10 5 EGBERN COc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000194916564 275230092 /nfs/dbraw/zinc/23/00/92/275230092.db2.gz FKERMBHJIMEOSZ-UHFFFAOYSA-N 0 0 338.363 3.291 10 5 EGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000286341436 275984633 /nfs/dbraw/zinc/98/46/33/275984633.db2.gz IKZBTCXQDWJRMH-GZKZCVOOSA-N 0 0 340.383 3.475 10 5 EGBERN CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000287406179 276116646 /nfs/dbraw/zinc/11/66/46/276116646.db2.gz AJBSVXINACHULP-BBWFWOEESA-N 0 0 347.415 3.399 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](CC(F)(F)F)C2)s1 ZINC000287750299 276153565 /nfs/dbraw/zinc/15/35/65/276153565.db2.gz MPWDHUDWRFIAQX-SSDOTTSWSA-N 0 0 332.307 3.378 10 5 EGBERN CC(C)OCc1nc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000289423974 276336976 /nfs/dbraw/zinc/33/69/76/276336976.db2.gz CMBBWJZAKULMCH-NEPJUHHUSA-N 0 0 334.376 3.315 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C1CCC1 ZINC000290137904 276451784 /nfs/dbraw/zinc/45/17/84/276451784.db2.gz HUVMNURMWHCXHL-HNNXBMFYSA-N 0 0 327.388 3.159 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000291633786 276669242 /nfs/dbraw/zinc/66/92/42/276669242.db2.gz NZBMDHSERMNSFP-PKNBQFBNSA-N 0 0 326.356 3.248 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOC[C@@H](C2CCC2)C1 ZINC000292348461 276775744 /nfs/dbraw/zinc/77/57/44/276775744.db2.gz QPPWDRAWVWUCNT-AWEZNQCLSA-N 0 0 327.384 3.396 10 5 EGBERN CC(=O)c1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000167698165 277110752 /nfs/dbraw/zinc/11/07/52/277110752.db2.gz VCLCWLJYWVZVTD-CQSZACIVSA-N 0 0 348.399 3.356 10 5 EGBERN CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035516149 277168848 /nfs/dbraw/zinc/16/88/48/277168848.db2.gz GLFHWBBYXFUQFB-MRXNPFEDSA-N 0 0 342.399 3.309 10 5 EGBERN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000115665837 279002085 /nfs/dbraw/zinc/00/20/85/279002085.db2.gz XQDYKUBKHOJEHX-AWEZNQCLSA-N 0 0 342.399 3.325 10 5 EGBERN C[C@@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000363872563 279072124 /nfs/dbraw/zinc/07/21/24/279072124.db2.gz NSXXVWIOWHOBCK-BLLLJJGKSA-N 0 0 343.408 3.309 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055872 279098618 /nfs/dbraw/zinc/09/86/18/279098618.db2.gz UOLMFOZNJVNZCC-HTRCEHHLSA-N 0 0 332.307 3.377 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000369328687 279116662 /nfs/dbraw/zinc/11/66/62/279116662.db2.gz CGRHGVRYFLOCOB-LBPRGKRZSA-N 0 0 331.397 3.476 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000372983058 280258286 /nfs/dbraw/zinc/25/82/86/280258286.db2.gz OSQXNHPEWIDCDZ-SNVBAGLBSA-N 0 0 333.344 3.216 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](n3cnc4ccccc43)C2)n1 ZINC000347407664 280399333 /nfs/dbraw/zinc/39/93/33/280399333.db2.gz AZYCPIYVLUONFP-AWEZNQCLSA-N 0 0 337.383 3.408 10 5 EGBERN CCc1nc(C2(NCc3c(F)cccc3[N+](=O)[O-])CCCC2)no1 ZINC000173692712 281498825 /nfs/dbraw/zinc/49/88/25/281498825.db2.gz OPHIUCIMLBYYQN-UHFFFAOYSA-N 0 0 334.351 3.238 10 5 EGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000408106116 297076666 /nfs/dbraw/zinc/07/66/66/297076666.db2.gz JFXQAMZYSSEWFA-YMTOWFKASA-N 0 0 347.198 3.286 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCCC2 ZINC000370371230 295264595 /nfs/dbraw/zinc/26/45/95/295264595.db2.gz ZTYVDFRGTFYNHA-UHFFFAOYSA-N 0 0 341.367 3.290 10 5 EGBERN C[C@@H]1C[C@@]2(CCO1)CN(c1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000367928208 297317794 /nfs/dbraw/zinc/31/77/94/297317794.db2.gz RLPLUWBZIJUAKC-WQGACYEGSA-N 0 0 340.807 3.411 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000361434452 301265240 /nfs/dbraw/zinc/26/52/40/301265240.db2.gz CWOMSQZGGGRSEO-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1Cc2ccccc2[C@H]1C ZINC000340856157 302046694 /nfs/dbraw/zinc/04/66/94/302046694.db2.gz USFQOQVOIBYSQV-GFCCVEGCSA-N 0 0 332.381 3.169 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000343473806 304798331 /nfs/dbraw/zinc/79/83/31/304798331.db2.gz QWJURDZCVXOLSH-KGLIPLIRSA-N 0 0 327.384 3.396 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CCC(C)C)c1 ZINC000075125196 307397909 /nfs/dbraw/zinc/39/79/09/307397909.db2.gz GOSPYVQEEXIWNR-INIZCTEOSA-N 0 0 340.445 3.234 10 5 EGBERN Cc1cc(OCC(=O)N(CC(C)C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000077222665 307411488 /nfs/dbraw/zinc/41/14/88/307411488.db2.gz VOUDNYPCJICLBN-UHFFFAOYSA-N 0 0 348.321 3.329 10 5 EGBERN COCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413870734 309050717 /nfs/dbraw/zinc/05/07/17/309050717.db2.gz YYFJTQXJBPZPBN-JKSUJKDBSA-N 0 0 342.351 3.189 10 5 EGBERN CCOc1c(F)cccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000079706909 307428415 /nfs/dbraw/zinc/42/84/15/307428415.db2.gz CFIDJCBRSVJZEP-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000090507130 307459760 /nfs/dbraw/zinc/45/97/60/307459760.db2.gz TVQRZQVCIAMTIV-UHFFFAOYSA-N 0 0 347.321 3.038 10 5 EGBERN COc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000118166921 307487089 /nfs/dbraw/zinc/48/70/89/307487089.db2.gz WCKOEAMXBVJVBR-UHFFFAOYSA-N 0 0 346.730 3.293 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413996792 309055847 /nfs/dbraw/zinc/05/58/47/309055847.db2.gz UOUXYJITDAIEKW-CQSZACIVSA-N 0 0 325.368 3.333 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H](C)CO ZINC000151148918 307728979 /nfs/dbraw/zinc/72/89/79/307728979.db2.gz JRURVFAOCXREQP-CHWSQXEVSA-N 0 0 344.367 3.134 10 5 EGBERN CCN(c1ccc(F)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151381220 307732267 /nfs/dbraw/zinc/73/22/67/307732267.db2.gz GVCPNGMEEPKPJM-UHFFFAOYSA-N 0 0 338.360 3.090 10 5 EGBERN CC(C)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000151426539 307733111 /nfs/dbraw/zinc/73/31/11/307733111.db2.gz JLWNUDOOEBHTPI-KRWDZBQOSA-N 0 0 348.424 3.412 10 5 EGBERN CC[C@H]1CCCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151545939 307734774 /nfs/dbraw/zinc/73/47/74/307734774.db2.gz LDLWBZNZYWQBOP-AWEZNQCLSA-N 0 0 326.418 3.079 10 5 EGBERN Cc1ccn(-c2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000151991381 307743059 /nfs/dbraw/zinc/74/30/59/307743059.db2.gz NKOQRZHZMYCCIR-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN CCS[C@H](C)c1noc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153070022 307765458 /nfs/dbraw/zinc/76/54/58/307765458.db2.gz WMLITJJYSNQILH-LLVKDONJSA-N 0 0 348.428 3.350 10 5 EGBERN CO[C@H](C)c1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cs1 ZINC000153279563 307769965 /nfs/dbraw/zinc/76/99/65/307769965.db2.gz MSEDVXYYJIFQID-LLVKDONJSA-N 0 0 333.413 3.317 10 5 EGBERN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000155365335 307813203 /nfs/dbraw/zinc/81/32/03/307813203.db2.gz HOXSNQHEXVDONY-UONOGXRCSA-N 0 0 348.424 3.206 10 5 EGBERN Cc1sc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000163231255 307920962 /nfs/dbraw/zinc/92/09/62/307920962.db2.gz XNMSVWFWQKVXPQ-UHFFFAOYSA-N 0 0 349.343 3.241 10 5 EGBERN COCCC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000293030407 308091836 /nfs/dbraw/zinc/09/18/36/308091836.db2.gz NMGNMOIHMVCACP-UHFFFAOYSA-N 0 0 347.198 3.400 10 5 EGBERN CC(C)(C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000293750671 308158725 /nfs/dbraw/zinc/15/87/25/308158725.db2.gz WGKUSKKNWPMTQA-XJKSGUPXSA-N 0 0 338.354 3.376 10 5 EGBERN C[C@@H](c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1)C(F)(F)F ZINC000294948760 308275247 /nfs/dbraw/zinc/27/52/47/308275247.db2.gz LXRAMTDJDBMOTQ-JTQLQIEISA-N 0 0 326.274 3.471 10 5 EGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295037146 308284017 /nfs/dbraw/zinc/28/40/17/308284017.db2.gz WSZVCVPBZIAMMG-CYBMUJFWSA-N 0 0 326.400 3.064 10 5 EGBERN CC(F)(F)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295444968 308327536 /nfs/dbraw/zinc/32/75/36/308327536.db2.gz FXMFXKAJYJHQDS-UHFFFAOYSA-N 0 0 338.257 3.361 10 5 EGBERN CC(F)(F)CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295748774 308356136 /nfs/dbraw/zinc/35/61/36/308356136.db2.gz NCXWQOQCUAPQIG-UHFFFAOYSA-N 0 0 338.314 3.150 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295772334 308358399 /nfs/dbraw/zinc/35/83/99/308358399.db2.gz PGNXUWGBUDYBQD-OAHLLOKOSA-N 0 0 344.770 3.368 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CCC3(CCC(O)CC3)CC2)c(F)c1 ZINC000295794173 308360425 /nfs/dbraw/zinc/36/04/25/308360425.db2.gz VKOYPNXEHHRKCH-UHFFFAOYSA-N 0 0 340.370 3.390 10 5 EGBERN C[C@@H](c1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1)C(F)(F)F ZINC000295887341 308371280 /nfs/dbraw/zinc/37/12/80/308371280.db2.gz DHRYANFRWIZIRN-JTQLQIEISA-N 0 0 326.274 3.471 10 5 EGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296274328 308410772 /nfs/dbraw/zinc/41/07/72/308410772.db2.gz MKWZFKABLXPSBU-CMPLNLGQSA-N 0 0 345.321 3.467 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccccn1 ZINC000296383795 308421714 /nfs/dbraw/zinc/42/17/14/308421714.db2.gz HZCHGDCUHAVSOD-WYMLVPIESA-N 0 0 339.395 3.487 10 5 EGBERN O=C(CSC1CC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000297760509 308561427 /nfs/dbraw/zinc/56/14/27/308561427.db2.gz KHWCCYPSQQPPPL-UHFFFAOYSA-N 0 0 331.191 3.191 10 5 EGBERN CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301234462 308692916 /nfs/dbraw/zinc/69/29/16/308692916.db2.gz CIYUCGSGAXYVQV-AWEZNQCLSA-N 0 0 325.796 3.085 10 5 EGBERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301435179 308700280 /nfs/dbraw/zinc/70/02/80/308700280.db2.gz KCNIAZMBSGOMRN-SMDDNHRTSA-N 0 0 328.372 3.160 10 5 EGBERN CSc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1Cl ZINC000301474278 308701696 /nfs/dbraw/zinc/70/16/96/308701696.db2.gz MTHKVYKXWWXOEM-UHFFFAOYSA-N 0 0 338.776 3.208 10 5 EGBERN CC(=O)c1ccc(N[C@@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000301473889 308701740 /nfs/dbraw/zinc/70/17/40/308701740.db2.gz VHHRNUWSWDOSMS-JTQLQIEISA-N 0 0 330.388 3.191 10 5 EGBERN CO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cs1 ZINC000301582207 308706065 /nfs/dbraw/zinc/70/60/65/308706065.db2.gz VCOURVQLHAERPG-MRVPVSSYSA-N 0 0 342.808 3.444 10 5 EGBERN COC(=O)c1cccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c1 ZINC000301614041 308707377 /nfs/dbraw/zinc/70/73/77/308707377.db2.gz HTIKKEDYIHCYTI-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN Cc1cnc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000301675831 308710386 /nfs/dbraw/zinc/71/03/86/308710386.db2.gz QIVBIZFEWBBOLL-INIZCTEOSA-N 0 0 331.347 3.140 10 5 EGBERN O=[N+]([O-])c1cc(F)c(NC2CCN(c3ccccn3)CC2)c(F)c1 ZINC000301811282 308716330 /nfs/dbraw/zinc/71/63/30/308716330.db2.gz YAINHCCKIAIAPI-UHFFFAOYSA-N 0 0 334.326 3.349 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CCc2ncc(C)s2)c1 ZINC000301813215 308716365 /nfs/dbraw/zinc/71/63/65/308716365.db2.gz CCVUISGCNGJXCD-UHFFFAOYSA-N 0 0 325.365 3.186 10 5 EGBERN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cc(F)ccc1F ZINC000301892586 308720364 /nfs/dbraw/zinc/72/03/64/308720364.db2.gz AFFJHILCODTSJR-GFCCVEGCSA-N 0 0 333.298 3.479 10 5 EGBERN NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301957079 308723038 /nfs/dbraw/zinc/72/30/38/308723038.db2.gz LDNAJEDKRPDUMO-JQWIXIFHSA-N 0 0 345.321 3.460 10 5 EGBERN Cc1cc(N2CCC3(CC2)OC[C@@H](C)O3)c2cccc([N+](=O)[O-])c2n1 ZINC000302000795 308724755 /nfs/dbraw/zinc/72/47/55/308724755.db2.gz IXNZLIAVYMRBEB-CYBMUJFWSA-N 0 0 343.383 3.183 10 5 EGBERN COc1cc(N2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000302043253 308726652 /nfs/dbraw/zinc/72/66/52/308726652.db2.gz XBDBXSVRXYCLDU-CQSZACIVSA-N 0 0 346.358 3.190 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H](Nc2ccccc2)C1 ZINC000302060340 308727442 /nfs/dbraw/zinc/72/74/42/308727442.db2.gz RSYNOKKCEGOVGG-INIZCTEOSA-N 0 0 327.384 3.168 10 5 EGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000302158049 308731272 /nfs/dbraw/zinc/73/12/72/308731272.db2.gz OGZRHNZJWSRZPU-CQSZACIVSA-N 0 0 331.372 3.304 10 5 EGBERN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CCN(CC(F)(F)F)CC1 ZINC000302558255 308739671 /nfs/dbraw/zinc/73/96/71/308739671.db2.gz MCAHMSRTYZVTCB-JTQLQIEISA-N 0 0 332.326 3.065 10 5 EGBERN COc1cc2c(cc1F)ncnc2Oc1ccc([N+](=O)[O-])cc1OC ZINC000302595322 308740358 /nfs/dbraw/zinc/74/03/58/308740358.db2.gz XEQQQWKFKQMGML-UHFFFAOYSA-N 0 0 345.286 3.487 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(C)ccc3C2)c1 ZINC000302696962 308742257 /nfs/dbraw/zinc/74/22/57/308742257.db2.gz GXEJMHFRGFYOEU-UHFFFAOYSA-N 0 0 326.352 3.253 10 5 EGBERN C[C@@H]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)C1 ZINC000302739715 308743938 /nfs/dbraw/zinc/74/39/38/308743938.db2.gz CJHMOLNEUJZNSS-WBMJQRKESA-N 0 0 338.429 3.015 10 5 EGBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000302849911 308748003 /nfs/dbraw/zinc/74/80/03/308748003.db2.gz IJXZECIHWGNHAD-LBPRGKRZSA-N 0 0 341.346 3.161 10 5 EGBERN CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331292056 308803971 /nfs/dbraw/zinc/80/39/71/308803971.db2.gz BOQWKQOOXRPRHN-ZFWWWQNUSA-N 0 0 334.416 3.125 10 5 EGBERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000411207990 308930895 /nfs/dbraw/zinc/93/08/95/308930895.db2.gz KADPCZRTGFAPGF-CABCVRRESA-N 0 0 347.415 3.173 10 5 EGBERN O=C(NCCc1cc(F)ccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412167958 308972575 /nfs/dbraw/zinc/97/25/75/308972575.db2.gz WWCUYIGSVRKSTP-JKSUJKDBSA-N 0 0 346.333 3.335 10 5 EGBERN COCC1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000412689163 308997905 /nfs/dbraw/zinc/99/79/05/308997905.db2.gz WURYZGZDUHOBEH-UHFFFAOYSA-N 0 0 331.372 3.011 10 5 EGBERN Cc1cnc(CCN(C)c2ncc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000413203532 309021253 /nfs/dbraw/zinc/02/12/53/309021253.db2.gz NJQHVXWRMMMWKL-UHFFFAOYSA-N 0 0 346.334 3.452 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@H](C2CCC2)C1 ZINC000413478549 309033767 /nfs/dbraw/zinc/03/37/67/309033767.db2.gz PFUGRQXIFPWJPZ-QGZVFWFLSA-N 0 0 343.383 3.157 10 5 EGBERN COCCCCN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000416126200 309159702 /nfs/dbraw/zinc/15/97/02/309159702.db2.gz CSFJFUBVIZEZHC-UHFFFAOYSA-N 0 0 334.294 3.112 10 5 EGBERN C[C@@H]1C[C@@H]1N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416597788 309174569 /nfs/dbraw/zinc/17/45/69/309174569.db2.gz SISBGDUVENIJPJ-WBMJQRKESA-N 0 0 332.381 3.199 10 5 EGBERN CC(C)[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000417409422 309204924 /nfs/dbraw/zinc/20/49/24/309204924.db2.gz PXLGQWHTLWDCSB-ZDUSSCGKSA-N 0 0 347.337 3.366 10 5 EGBERN Cc1ncccc1OC[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387686 309266325 /nfs/dbraw/zinc/26/63/25/309266325.db2.gz CRGGHXXJTFAGRJ-AWEZNQCLSA-N 0 0 345.374 3.481 10 5 EGBERN CCc1[nH]nc(-c2nc([C@H](C)Oc3ccccc3)no2)c1[N+](=O)[O-] ZINC000420485005 309287784 /nfs/dbraw/zinc/28/77/84/309287784.db2.gz GFVJVDOLFINTNE-VIFPVBQESA-N 0 0 329.316 3.070 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000420622814 309290500 /nfs/dbraw/zinc/29/05/00/309290500.db2.gz UBSWWYXOYQUXPW-GJZGRUSLSA-N 0 0 347.415 3.200 10 5 EGBERN O=C(NC[C@H]1CC12CCSCC2)Nc1ccc([N+](=O)[O-])cc1F ZINC000421218714 309316610 /nfs/dbraw/zinc/31/66/10/309316610.db2.gz KTVACEXVUMGESG-SNVBAGLBSA-N 0 0 339.392 3.389 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000421494021 309327039 /nfs/dbraw/zinc/32/70/39/309327039.db2.gz YWDDUIIGKXCXRA-UHFFFAOYSA-N 0 0 326.356 3.440 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCO1 ZINC000421678209 309334241 /nfs/dbraw/zinc/33/42/41/309334241.db2.gz ZAFCKANSFKBGEX-UWVGGRQHSA-N 0 0 346.305 3.301 10 5 EGBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC(OC(C)(C)C)C1 ZINC000422018883 309351380 /nfs/dbraw/zinc/35/13/80/309351380.db2.gz UQWRJKYACLHZOX-UHFFFAOYSA-N 0 0 345.399 3.494 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]12CCOC2 ZINC000422075094 309354096 /nfs/dbraw/zinc/35/40/96/309354096.db2.gz RKFPBYAEHNMVTP-MRXNPFEDSA-N 0 0 336.413 3.102 10 5 EGBERN CC[C@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000422173232 309356597 /nfs/dbraw/zinc/35/65/97/309356597.db2.gz HIODGNXQJJTULR-CVEARBPZSA-N 0 0 347.415 3.135 10 5 EGBERN CC(C)(C)N1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1=O ZINC000424562033 309445504 /nfs/dbraw/zinc/44/55/04/309445504.db2.gz JZJRSBWFZPVJCJ-SNVBAGLBSA-N 0 0 343.330 3.008 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424975861 309460727 /nfs/dbraw/zinc/46/07/27/309460727.db2.gz UKXCKTKBLQYVOA-FUHWJXTLSA-N 0 0 343.358 3.150 10 5 EGBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000425440352 309480448 /nfs/dbraw/zinc/48/04/48/309480448.db2.gz GOEOBIAKXSCRRU-GMTAPVOTSA-N 0 0 343.221 3.355 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425558601 309486231 /nfs/dbraw/zinc/48/62/31/309486231.db2.gz FLTKOGJIJSVQOG-VXGBXAGGSA-N 0 0 331.347 3.340 10 5 EGBERN CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000427178001 309524025 /nfs/dbraw/zinc/52/40/25/309524025.db2.gz NDHBGGALACLAEH-OAHLLOKOSA-N 0 0 342.399 3.351 10 5 EGBERN COc1ccc([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000427999536 309540169 /nfs/dbraw/zinc/54/01/69/309540169.db2.gz ZSKDQBJGIYYEEP-CYBMUJFWSA-N 0 0 338.367 3.474 10 5 EGBERN O=[N+]([O-])c1ccc(OCc2cc(F)cc3cccnc32)cc1CO ZINC000428082450 309541813 /nfs/dbraw/zinc/54/18/13/309541813.db2.gz ZSDDKJJSRRNVRJ-UHFFFAOYSA-N 0 0 328.299 3.353 10 5 EGBERN CC(C)(c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1)C(F)(F)F ZINC000428668140 309558243 /nfs/dbraw/zinc/55/82/43/309558243.db2.gz YHJFPQNFYHEZAK-UHFFFAOYSA-N 0 0 341.293 3.381 10 5 EGBERN CCCn1ccnc1CCCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000428685111 309558703 /nfs/dbraw/zinc/55/87/03/309558703.db2.gz XHPJTWJLJPXYSL-UHFFFAOYSA-N 0 0 331.420 3.282 10 5 EGBERN Cc1cc(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc2[nH]1 ZINC000430180394 309600564 /nfs/dbraw/zinc/60/05/64/309600564.db2.gz RETJESFTWCQGEU-UHFFFAOYSA-N 0 0 337.335 3.305 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC23CCCC3)cc1SC ZINC000430215460 309601892 /nfs/dbraw/zinc/60/18/92/309601892.db2.gz DXAWRWJNZPXODQ-CQSZACIVSA-N 0 0 336.413 3.388 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000430405352 309607369 /nfs/dbraw/zinc/60/73/69/309607369.db2.gz DPGORLZMLWGQMO-HZPDHXFCSA-N 0 0 344.342 3.093 10 5 EGBERN Cc1ocnc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431239540 309628146 /nfs/dbraw/zinc/62/81/46/309628146.db2.gz XFRDGJWHIGYPRR-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN C/C=C/C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000432903840 309672544 /nfs/dbraw/zinc/67/25/44/309672544.db2.gz WMADBYHTENUUMO-KQIUPUNMSA-N 0 0 326.780 3.236 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434283426 309708124 /nfs/dbraw/zinc/70/81/24/309708124.db2.gz PLNZNHWELYIFRY-VIFPVBQESA-N 0 0 341.289 3.491 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(OC)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000436577865 309762487 /nfs/dbraw/zinc/76/24/87/309762487.db2.gz VWWSLKFLUJEAKJ-OAHLLOKOSA-N 0 0 330.340 3.190 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(cc1O)CCCC2 ZINC000436762726 309772954 /nfs/dbraw/zinc/77/29/54/309772954.db2.gz UEEMNSICILWGQK-UHFFFAOYSA-N 0 0 340.379 3.451 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436782189 309773768 /nfs/dbraw/zinc/77/37/68/309773768.db2.gz HWAXCOULNBKLDI-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OCc1cncn1Cc1ccccc1 ZINC000437606669 309795679 /nfs/dbraw/zinc/79/56/79/309795679.db2.gz VGIBUKGCTAXZSO-UHFFFAOYSA-N 0 0 339.351 3.427 10 5 EGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438143920 309807934 /nfs/dbraw/zinc/80/79/34/309807934.db2.gz QMSDISNAAWWIOX-QHRIQVFBSA-N 0 0 340.379 3.207 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Cc1ccccc1 ZINC000440991217 309859763 /nfs/dbraw/zinc/85/97/63/309859763.db2.gz OAFIWIMBIJLPMI-NSHDSACASA-N 0 0 346.770 3.178 10 5 EGBERN C[C@@H](NC(=O)c1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000441705154 309875915 /nfs/dbraw/zinc/87/59/15/309875915.db2.gz RLNGJZKCUXFSDV-GFCCVEGCSA-N 0 0 325.368 3.360 10 5 EGBERN C[C@@H]1COCC[C@@H]1c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000442687606 309884653 /nfs/dbraw/zinc/88/46/53/309884653.db2.gz NEJSBHQHKOSKAS-SKDRFNHKSA-N 0 0 339.298 3.258 10 5 EGBERN CC[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443766573 309907708 /nfs/dbraw/zinc/90/77/08/309907708.db2.gz XKSMYTVIOGUBOT-HOCLYGCPSA-N 0 0 340.445 3.325 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC/C=C/c2ccccc2)n1 ZINC000445579928 309943754 /nfs/dbraw/zinc/94/37/54/309943754.db2.gz RBQMWRHUXWUOMD-WEVVVXLNSA-N 0 0 325.328 3.024 10 5 EGBERN CC(=O)N(C)c1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000447316713 309977192 /nfs/dbraw/zinc/97/71/92/309977192.db2.gz HUUUQMQRNNGEBI-UHFFFAOYSA-N 0 0 341.367 3.447 10 5 EGBERN Cc1cc(C(=O)Nc2cc(-c3ccccc3F)on2)ccc1[N+](=O)[O-] ZINC000448490831 310004618 /nfs/dbraw/zinc/00/46/18/310004618.db2.gz DRWQUIXBIIZGAB-UHFFFAOYSA-N 0 0 341.298 3.372 10 5 EGBERN Cc1cc(CN(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])no1 ZINC000448679565 310012091 /nfs/dbraw/zinc/01/20/91/310012091.db2.gz DJBAPUKQYNMEQA-UHFFFAOYSA-N 0 0 343.261 3.182 10 5 EGBERN C[C@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000450413572 310121109 /nfs/dbraw/zinc/12/11/09/310121109.db2.gz VBMODLSQCQORHD-NEPJUHHUSA-N 0 0 326.352 3.409 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c(Cl)cc(F)cc2C1 ZINC000450591675 310131916 /nfs/dbraw/zinc/13/19/16/310131916.db2.gz XWHKGFGOAKFEGE-UHFFFAOYSA-N 0 0 338.770 3.475 10 5 EGBERN Cc1cc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(F)cc1[N+](=O)[O-] ZINC000450642533 310134564 /nfs/dbraw/zinc/13/45/64/310134564.db2.gz CDGSAHCSYLXZPS-KDOFPFPSSA-N 0 0 348.349 3.347 10 5 EGBERN Cc1cc(N2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000450701682 310138250 /nfs/dbraw/zinc/13/82/50/310138250.db2.gz HBKQLBPJLHJBEK-GFCCVEGCSA-N 0 0 340.248 3.128 10 5 EGBERN Cc1cccc(N2CCN(CC(F)(F)F)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450868080 310146787 /nfs/dbraw/zinc/14/67/87/310146787.db2.gz HXUVPKXXDXJOTN-NSHDSACASA-N 0 0 331.338 3.224 10 5 EGBERN C[C@@H]1CN(CC(F)(F)F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450878404 310147342 /nfs/dbraw/zinc/14/73/42/310147342.db2.gz VLZIRTMURAUUJD-SNVBAGLBSA-N 0 0 335.301 3.054 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000450929932 310150373 /nfs/dbraw/zinc/15/03/73/310150373.db2.gz DNEXJCZWSMTRBC-UHFFFAOYSA-N 0 0 331.338 3.366 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCC1(F)F ZINC000452718356 310238618 /nfs/dbraw/zinc/23/86/18/310238618.db2.gz SGUACVFOZYMANG-VIFPVBQESA-N 0 0 348.296 3.357 10 5 EGBERN CCc1nc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000452843371 310245084 /nfs/dbraw/zinc/24/50/84/310245084.db2.gz IEAHICAUOAQOHL-CQSZACIVSA-N 0 0 343.383 3.473 10 5 EGBERN CC[C@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000453004451 310252676 /nfs/dbraw/zinc/25/26/76/310252676.db2.gz SZMOXXBAGWOORY-WDEREUQCSA-N 0 0 326.343 3.358 10 5 EGBERN O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CCCO3)n2)c2c1NCCC2 ZINC000453227589 310265307 /nfs/dbraw/zinc/26/53/07/310265307.db2.gz BDWXABCJBQKPNJ-NSHDSACASA-N 0 0 344.371 3.115 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000454136950 310294148 /nfs/dbraw/zinc/29/41/48/310294148.db2.gz ATSAOYBMLQTNIZ-HNNXBMFYSA-N 0 0 333.388 3.326 10 5 EGBERN Cc1nnccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455134776 310346295 /nfs/dbraw/zinc/34/62/95/310346295.db2.gz GIZYFMMHRAYJHM-CQSZACIVSA-N 0 0 341.371 3.105 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000455157138 310347732 /nfs/dbraw/zinc/34/77/32/310347732.db2.gz DLMCLIJOFQJGNS-USXIJHARSA-N 0 0 347.415 3.451 10 5 EGBERN C[C@H](NC(=O)Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000455401036 310359026 /nfs/dbraw/zinc/35/90/26/310359026.db2.gz CXZKQRHAAGMIPP-NSHDSACASA-N 0 0 341.371 3.220 10 5 EGBERN CCCc1ncc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)o1 ZINC000455461482 310361673 /nfs/dbraw/zinc/36/16/73/310361673.db2.gz JHPZKPOMODFIEV-UHFFFAOYSA-N 0 0 332.360 3.419 10 5 EGBERN COC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456170181 310391761 /nfs/dbraw/zinc/39/17/61/310391761.db2.gz BOSFKJGUTWELMZ-UHFFFAOYSA-N 0 0 337.376 3.087 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000456242744 310394677 /nfs/dbraw/zinc/39/46/77/310394677.db2.gz KWUNQGMBPKYIQV-TZMCWYRMSA-N 0 0 347.396 3.010 10 5 EGBERN CCOc1ccc(C(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000456600877 310414389 /nfs/dbraw/zinc/41/43/89/310414389.db2.gz WXYPMKFCLGCHJG-HZPDHXFCSA-N 0 0 348.399 3.023 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC000457018869 310432731 /nfs/dbraw/zinc/43/27/31/310432731.db2.gz MQHGCGJNAMYMCR-LJQANCHMSA-N 0 0 339.395 3.439 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](COC)CC1 ZINC000457096067 310437420 /nfs/dbraw/zinc/43/74/20/310437420.db2.gz VUXWFFWVBPNGSN-DLBZAZTESA-N 0 0 348.443 3.439 10 5 EGBERN COc1c(C(=O)NC2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000458184116 310490202 /nfs/dbraw/zinc/49/02/02/310490202.db2.gz RZEKZKVBHMIZMX-UHFFFAOYSA-N 0 0 328.315 3.157 10 5 EGBERN CCCn1nccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000459996700 310578883 /nfs/dbraw/zinc/57/88/83/310578883.db2.gz RJALHKHWBIZOGC-UHFFFAOYSA-N 0 0 342.277 3.472 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000463951350 310616565 /nfs/dbraw/zinc/61/65/65/310616565.db2.gz QGQYNQQAGMVWKF-LSDHHAIUSA-N 0 0 347.415 3.492 10 5 EGBERN C[C@@H](Nc1cccc2c1OCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000466981777 310665259 /nfs/dbraw/zinc/66/52/59/310665259.db2.gz AQMIXCFVTVGIIX-GFCCVEGCSA-N 0 0 341.367 3.359 10 5 EGBERN COc1cc(C)cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000470455969 310722723 /nfs/dbraw/zinc/72/27/23/310722723.db2.gz QJMYWFUIMJSGRW-UHFFFAOYSA-N 0 0 343.383 3.295 10 5 EGBERN Cc1cc(NC[C@H](CO)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000477687539 310847841 /nfs/dbraw/zinc/84/78/41/310847841.db2.gz AXNVCXXPLYMTQR-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN Cc1ccc(CN2CCO[C@@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483436071 310950458 /nfs/dbraw/zinc/95/04/58/310950458.db2.gz CFYREMPZYKLXNZ-GOSISDBHSA-N 0 0 342.395 3.183 10 5 EGBERN O=[N+]([O-])c1ccc(OC2CN(c3nc4c(cccc4F)o3)C2)cc1 ZINC000486034823 310986545 /nfs/dbraw/zinc/98/65/45/310986545.db2.gz IWBPZNXKUIEJPG-UHFFFAOYSA-N 0 0 329.287 3.143 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000487450624 311024215 /nfs/dbraw/zinc/02/42/15/311024215.db2.gz LFGNLRSOKGNSHA-CYBMUJFWSA-N 0 0 327.384 3.310 10 5 EGBERN CCC1(CC)CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@]1=O ZINC000487729812 311035721 /nfs/dbraw/zinc/03/57/21/311035721.db2.gz ZJTQYMCKBGEYAG-DEOSSOPVSA-N 0 0 347.440 3.271 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@H](c2ccco2)C1 ZINC000488066580 311049622 /nfs/dbraw/zinc/04/96/22/311049622.db2.gz GJWYISAWCWMMSE-MRXNPFEDSA-N 0 0 325.324 3.314 10 5 EGBERN C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000488076164 311050326 /nfs/dbraw/zinc/05/03/26/311050326.db2.gz DTAHQBWTPWWTBW-SUMWQHHRSA-N 0 0 337.383 3.427 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1O ZINC000488119119 311052286 /nfs/dbraw/zinc/05/22/86/311052286.db2.gz BZCSCEAOMSGORR-XJKSGUPXSA-N 0 0 329.400 3.376 10 5 EGBERN CC(C)(C)OC(=O)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488133589 311052932 /nfs/dbraw/zinc/05/29/32/311052932.db2.gz ZZGCIPRLHDNIQM-UHFFFAOYSA-N 0 0 331.372 3.099 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccc3F)C2)n1 ZINC000488756516 311078812 /nfs/dbraw/zinc/07/88/12/311078812.db2.gz WCQWRTPGAPCJSR-CYBMUJFWSA-N 0 0 330.363 3.437 10 5 EGBERN Cc1c(CC(=O)Nc2nc3cc(F)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000488896685 311083769 /nfs/dbraw/zinc/08/37/69/311083769.db2.gz LQDRBDUCBLJQCA-UHFFFAOYSA-N 0 0 328.303 3.100 10 5 EGBERN COc1ccc(Cn2ccnc2Sc2ccc([N+](=O)[O-])cn2)cc1 ZINC000490071666 311132304 /nfs/dbraw/zinc/13/23/04/311132304.db2.gz JQHXHAKCZHTFEB-UHFFFAOYSA-N 0 0 342.380 3.394 10 5 EGBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000492960864 311311866 /nfs/dbraw/zinc/31/18/66/311311866.db2.gz MLEOFULTNJTDLO-UHFFFAOYSA-N 0 0 344.758 3.187 10 5 EGBERN Cc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000495166950 311539998 /nfs/dbraw/zinc/53/99/98/311539998.db2.gz XVOVOUDRUATCBA-UHFFFAOYSA-N 0 0 325.368 3.164 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000497313205 311854434 /nfs/dbraw/zinc/85/44/34/311854434.db2.gz MRQMBKVPSJPOTE-CQSZACIVSA-N 0 0 328.368 3.468 10 5 EGBERN C[C@@H](Oc1ccccc1F)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504285533 312002874 /nfs/dbraw/zinc/00/28/74/312002874.db2.gz BXZQFMFESJNDJI-NWDGAFQWSA-N 0 0 344.342 3.479 10 5 EGBERN C[C@H](Oc1ccccc1F)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504285534 312003060 /nfs/dbraw/zinc/00/30/60/312003060.db2.gz BXZQFMFESJNDJI-RYUDHWBXSA-N 0 0 344.342 3.479 10 5 EGBERN CC(C)(C)C1CC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000504733184 312010222 /nfs/dbraw/zinc/01/02/22/312010222.db2.gz KPYKJOUTACSZHW-UHFFFAOYSA-N 0 0 342.399 3.335 10 5 EGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000505164254 312016365 /nfs/dbraw/zinc/01/63/65/312016365.db2.gz MMSCMZABJOIAPQ-LBPRGKRZSA-N 0 0 336.351 3.476 10 5 EGBERN COc1cccc(N2C[C@@H](Nc3ccc([N+](=O)[O-])c(C)c3)CC2=O)c1 ZINC000506765541 312053986 /nfs/dbraw/zinc/05/39/86/312053986.db2.gz YLCCEBPKOIAPAI-AWEZNQCLSA-N 0 0 341.367 3.129 10 5 EGBERN CC(C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000508173185 312090110 /nfs/dbraw/zinc/09/01/10/312090110.db2.gz PRWBTYYHDLCFIL-CYBMUJFWSA-N 0 0 329.404 3.263 10 5 EGBERN C[C@@H]1CCC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514628029 312234893 /nfs/dbraw/zinc/23/48/93/312234893.db2.gz YRFFNAFWARJXCJ-MNOVXSKESA-N 0 0 326.343 3.453 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@@H]1C1CCC1 ZINC000514864037 312250354 /nfs/dbraw/zinc/25/03/54/312250354.db2.gz XWQRBJRYWCXRDB-CQSZACIVSA-N 0 0 338.791 3.198 10 5 EGBERN C[C@H]1C[C@@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000515090896 312265242 /nfs/dbraw/zinc/26/52/42/312265242.db2.gz PZXIVZADUVMNOH-VNHYZAJKSA-N 0 0 331.416 3.217 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@@H](c3ccccc3)C1)CCCC2 ZINC000515378280 312280114 /nfs/dbraw/zinc/28/01/14/312280114.db2.gz PAIIMZZKMQAANG-GOSISDBHSA-N 0 0 339.395 3.447 10 5 EGBERN Cc1ccc(-c2noc(Cn3cnc4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000515537650 312288141 /nfs/dbraw/zinc/28/81/41/312288141.db2.gz KRZCZRHRZLXOQC-UHFFFAOYSA-N 0 0 339.355 3.077 10 5 EGBERN CN(CCC1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515568672 312289945 /nfs/dbraw/zinc/28/99/45/312289945.db2.gz JPNNQKLTKCDOIM-UHFFFAOYSA-N 0 0 330.388 3.060 10 5 EGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000519152060 312442382 /nfs/dbraw/zinc/44/23/82/312442382.db2.gz VMRYWDSRESFKLO-QPUJVOFHSA-N 0 0 332.809 3.024 10 5 EGBERN CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000523417812 312618914 /nfs/dbraw/zinc/61/89/14/312618914.db2.gz TWVSYAYJUUIWIR-GHMZBOCLSA-N 0 0 332.447 3.246 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000524106199 312644502 /nfs/dbraw/zinc/64/45/02/312644502.db2.gz ZBPZYXTZTDZLPG-CQSZACIVSA-N 0 0 341.367 3.136 10 5 EGBERN COc1cc(Cc2noc(C(C)(C)CCC(C)=O)n2)ccc1[N+](=O)[O-] ZINC000530525227 313550063 /nfs/dbraw/zinc/55/00/63/313550063.db2.gz CDKPTQIOEGBDFR-UHFFFAOYSA-N 0 0 347.371 3.224 10 5 EGBERN CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(C(C)(C)C)n1 ZINC000531881357 313725418 /nfs/dbraw/zinc/72/54/18/313725418.db2.gz BJIGJZKHSCWUKV-UHFFFAOYSA-N 0 0 345.403 3.491 10 5 EGBERN Cc1ccnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)n1 ZINC000532393002 313793409 /nfs/dbraw/zinc/79/34/09/313793409.db2.gz VHDSRBXOSCAXIU-UHFFFAOYSA-N 0 0 335.323 3.008 10 5 EGBERN CCOc1cc(Nc2cccc([C@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000538933319 314286315 /nfs/dbraw/zinc/28/63/15/314286315.db2.gz VHXHMDZTSJSVBY-CYBMUJFWSA-N 0 0 341.367 3.341 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545364067 314760052 /nfs/dbraw/zinc/76/00/52/314760052.db2.gz GVEOUBWVALLYTP-GJZGRUSLSA-N 0 0 340.445 3.229 10 5 EGBERN Cc1c(CC(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000546210213 314817063 /nfs/dbraw/zinc/81/70/63/314817063.db2.gz PSRXKKAJZLTFEL-BFUOFWGJSA-N 0 0 348.443 3.139 10 5 EGBERN COc1ccc(Cl)cc1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546944020 314867028 /nfs/dbraw/zinc/86/70/28/314867028.db2.gz TYJRQNGUVSDVIA-UHFFFAOYSA-N 0 0 346.730 3.293 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H](c4ccccc4Cl)C3)nn21 ZINC000549298634 315086259 /nfs/dbraw/zinc/08/62/59/315086259.db2.gz BZEFNDHHSNNFPF-XYPYZODXSA-N 0 0 343.774 3.071 10 5 EGBERN COC(=O)c1cc(C)nc(N[C@H](C)CCCC(F)(F)F)c1[N+](=O)[O-] ZINC000553583278 315271412 /nfs/dbraw/zinc/27/14/12/315271412.db2.gz WSOYFKZKNIOOQC-MRVPVSSYSA-N 0 0 349.309 3.040 10 5 EGBERN CCOC(=O)[C@@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555799472 315403500 /nfs/dbraw/zinc/40/35/00/315403500.db2.gz PKVLGWMSYAWLMR-GOSISDBHSA-N 0 0 340.379 3.257 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-] ZINC000561210535 315749274 /nfs/dbraw/zinc/74/92/74/315749274.db2.gz CSNFXDMZJYFXOI-UHFFFAOYSA-N 0 0 339.351 3.268 10 5 EGBERN COc1ccc(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000561806610 315783358 /nfs/dbraw/zinc/78/33/58/315783358.db2.gz WBJUEWZDGJXNOJ-UHFFFAOYSA-N 0 0 327.384 3.458 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1ccc(OC)c(OC)c1OC ZINC000564239985 316127940 /nfs/dbraw/zinc/12/79/40/316127940.db2.gz QSKYHZKNGRAKLJ-UHFFFAOYSA-N 0 0 348.355 3.241 10 5 EGBERN Cc1ccc(NCCCNC(=O)N2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000564416878 316148834 /nfs/dbraw/zinc/14/88/34/316148834.db2.gz JLMRNRXEUZVPLG-UHFFFAOYSA-N 0 0 334.420 3.289 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](OCC3CC3)C1)CCCC2 ZINC000564892961 316228175 /nfs/dbraw/zinc/22/81/75/316228175.db2.gz GTPXGLAGMRIEBG-OAHLLOKOSA-N 0 0 331.416 3.264 10 5 EGBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000565708022 316359810 /nfs/dbraw/zinc/35/98/10/316359810.db2.gz NUFYKVDBKGYROS-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000568101121 316725089 /nfs/dbraw/zinc/72/50/89/316725089.db2.gz UXXTUDNXPQLVAC-GASCZTMLSA-N 0 0 343.383 3.182 10 5 EGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C1CCC1 ZINC000568641605 316802389 /nfs/dbraw/zinc/80/23/89/316802389.db2.gz OHXUCLJTXVHTJX-GOEBONIOSA-N 0 0 327.384 3.171 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccsc1)c1cccnc1 ZINC000568828612 316827788 /nfs/dbraw/zinc/82/77/88/316827788.db2.gz ASBVUOAZKNXIGU-UHFFFAOYSA-N 0 0 340.364 3.293 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000569587940 316936166 /nfs/dbraw/zinc/93/61/66/316936166.db2.gz ARASKSLNPWTVCB-ZDUSSCGKSA-N 0 0 333.388 3.123 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](c3cccnc3)C2)cc(C)c1[N+](=O)[O-] ZINC000572031804 317281700 /nfs/dbraw/zinc/28/17/00/317281700.db2.gz PBFZYJHPCDKULB-AWEZNQCLSA-N 0 0 341.367 3.079 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(n4cc(Cl)cn4)CC3)nc2c1 ZINC000572708751 317379089 /nfs/dbraw/zinc/37/90/89/317379089.db2.gz DAPHRBRCTVYOKU-UHFFFAOYSA-N 0 0 346.778 3.163 10 5 EGBERN CC(C)(C)n1nccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573553649 317500215 /nfs/dbraw/zinc/50/02/15/317500215.db2.gz QGAJLHAWJGCWOM-UHFFFAOYSA-N 0 0 343.387 3.137 10 5 EGBERN CCC[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000574235053 317575192 /nfs/dbraw/zinc/57/51/92/317575192.db2.gz DIYMTUQNJNZWIC-NSHDSACASA-N 0 0 326.343 3.454 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720103 323248075 /nfs/dbraw/zinc/24/80/75/323248075.db2.gz XAHJBKNYNIOKOO-MRXNPFEDSA-N 0 0 335.404 3.086 10 5 EGBERN C[C@@H](NCc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180399426 323439275 /nfs/dbraw/zinc/43/92/75/323439275.db2.gz OIXYQUDQBRHSSI-CYBMUJFWSA-N 0 0 337.383 3.241 10 5 EGBERN CCOc1ccc(C(=O)NC[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000186030061 323720986 /nfs/dbraw/zinc/72/09/86/323720986.db2.gz ADUDHQIOKBGZCP-JTQLQIEISA-N 0 0 349.412 3.292 10 5 EGBERN O=C(NCCc1ccc(F)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000191649426 323808640 /nfs/dbraw/zinc/80/86/40/323808640.db2.gz WVWZVHSOKXRNRM-UHFFFAOYSA-N 0 0 345.305 3.327 10 5 EGBERN CCCOc1nc(C)ccc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141574 324179444 /nfs/dbraw/zinc/17/94/44/324179444.db2.gz CUMMMMGSHXJNNI-UHFFFAOYSA-N 0 0 330.300 3.397 10 5 EGBERN C[C@H](C(=O)Nc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000577576851 324829284 /nfs/dbraw/zinc/82/92/84/324829284.db2.gz AIKUBDBOAQULPQ-ZDUSSCGKSA-N 0 0 340.383 3.332 10 5 EGBERN C[C@@H]1[C@H](C)CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000578744969 325012649 /nfs/dbraw/zinc/01/26/49/325012649.db2.gz ZVTKJFXCUZRFSH-UPJWGTAASA-N 0 0 344.415 3.305 10 5 EGBERN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000578876847 325031907 /nfs/dbraw/zinc/03/19/07/325031907.db2.gz SWHXPGZJLORLSN-SFHVURJKSA-N 0 0 343.358 3.366 10 5 EGBERN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000579204537 325076182 /nfs/dbraw/zinc/07/61/82/325076182.db2.gz BAFXDLLUEVNLIG-MRXNPFEDSA-N 0 0 329.331 3.415 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000579556885 325125922 /nfs/dbraw/zinc/12/59/22/325125922.db2.gz ZSGWMWRHJHBIMW-ONGXEEELSA-N 0 0 333.310 3.174 10 5 EGBERN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000579730134 325152373 /nfs/dbraw/zinc/15/23/73/325152373.db2.gz CMSNUENOPPKNCO-OAHLLOKOSA-N 0 0 325.368 3.236 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000579906296 325173439 /nfs/dbraw/zinc/17/34/39/325173439.db2.gz FCFDBNZEVHYEHQ-ZDUSSCGKSA-N 0 0 346.362 3.189 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CSc4ccccc4O3)no2)nc1 ZINC000580032515 325191861 /nfs/dbraw/zinc/19/18/61/325191861.db2.gz MKKVEYTZPMQSMX-LBPRGKRZSA-N 0 0 342.336 3.266 10 5 EGBERN O=C(Nc1ccc2c(n1)CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581927640 325399264 /nfs/dbraw/zinc/39/92/64/325399264.db2.gz MPRJFXGDSTZWCO-UHFFFAOYSA-N 0 0 338.367 3.069 10 5 EGBERN C[C@@H]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000582145435 325417529 /nfs/dbraw/zinc/41/75/29/325417529.db2.gz HJTZAVQLTQLKDO-VWYCJHECSA-N 0 0 326.343 3.356 10 5 EGBERN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000583170240 325500743 /nfs/dbraw/zinc/50/07/43/325500743.db2.gz QJQSLPFXDMESMB-UHFFFAOYSA-N 0 0 340.248 3.120 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000189618052 455223811 /nfs/dbraw/zinc/22/38/11/455223811.db2.gz LBFHGMKFCQAYMO-SNVBAGLBSA-N 0 0 347.396 3.211 10 5 EGBERN O=[N+]([O-])c1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000237997715 455243456 /nfs/dbraw/zinc/24/34/56/455243456.db2.gz NJKMQSYFBQMLAF-UHFFFAOYSA-N 0 0 328.372 3.414 10 5 EGBERN CC1(C)CCC[C@]2(C1)NC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C2=O ZINC000600692892 460570836 /nfs/dbraw/zinc/57/08/36/460570836.db2.gz OESRBETUHBPZGC-GOSISDBHSA-N 0 0 345.399 3.028 10 5 EGBERN Cc1ccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)cc1 ZINC000006836383 452995486 /nfs/dbraw/zinc/99/54/86/452995486.db2.gz BIRMWEQTPRSHNT-ZDUSSCGKSA-N 0 0 339.351 3.261 10 5 EGBERN O=C(NC1CC1)[C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000006991241 453016165 /nfs/dbraw/zinc/01/61/65/453016165.db2.gz HRRRQDZAQARITL-MRXNPFEDSA-N 0 0 330.315 3.133 10 5 EGBERN Cc1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1[N+](=O)[O-] ZINC000007793848 453117378 /nfs/dbraw/zinc/11/73/78/453117378.db2.gz KVTZNKOKUFQLAW-UHFFFAOYSA-N 0 0 342.380 3.462 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000010643214 453297325 /nfs/dbraw/zinc/29/73/25/453297325.db2.gz VGHITGHEZRCJRD-SECBINFHSA-N 0 0 331.284 3.405 10 5 EGBERN Cc1ccccc1[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000010810174 453303639 /nfs/dbraw/zinc/30/36/39/453303639.db2.gz FXXKHBQEYSODPC-LBPRGKRZSA-N 0 0 334.397 3.480 10 5 EGBERN CCOc1cc(C(=O)N2CCCC3(CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000600769255 460595715 /nfs/dbraw/zinc/59/57/15/460595715.db2.gz KSAYJNANQBJMJE-UHFFFAOYSA-N 0 0 348.399 3.408 10 5 EGBERN C[C@@H](C(=O)N1CC(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600760186 460593877 /nfs/dbraw/zinc/59/38/77/460593877.db2.gz HMDNXYYSLSLTAZ-GFCCVEGCSA-N 0 0 330.409 3.461 10 5 EGBERN NN1C(=O)c2c3c4ccccc4[nH]c3c3[nH]c4ccccc4c3c2C1=O ZINC000013760065 453489020 /nfs/dbraw/zinc/48/90/20/453489020.db2.gz GROIMOJMDVEEMB-UHFFFAOYSA-N 0 0 340.342 3.425 10 5 EGBERN CNc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000015695440 453583374 /nfs/dbraw/zinc/58/33/74/453583374.db2.gz HQWRQTOLIQUQES-SECBINFHSA-N 0 0 335.310 3.406 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(F)cc1 ZINC000016632636 453616734 /nfs/dbraw/zinc/61/67/34/453616734.db2.gz PQCVIZOJDBOHEY-LBPRGKRZSA-N 0 0 331.347 3.193 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600808958 460611854 /nfs/dbraw/zinc/61/18/54/460611854.db2.gz MQAXABSNLOOEIK-MBVDDHJVSA-N 0 0 334.420 3.003 10 5 EGBERN C/C=C/C[C@@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000600809989 460612197 /nfs/dbraw/zinc/61/21/97/460612197.db2.gz PMUVKCIECSLRKJ-RDFMZFSFSA-N 0 0 332.400 3.351 10 5 EGBERN O=C(NCCc1ccco1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017910050 453639649 /nfs/dbraw/zinc/63/96/49/453639649.db2.gz RGWIKDMLRZKYGC-UHFFFAOYSA-N 0 0 343.383 3.151 10 5 EGBERN COC(=O)c1cc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)oc1C ZINC000024862466 453749434 /nfs/dbraw/zinc/74/94/34/453749434.db2.gz NVLQCVLNNODCAW-LLVKDONJSA-N 0 0 332.356 3.476 10 5 EGBERN COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1[N+](=O)[O-] ZINC000159285647 455366695 /nfs/dbraw/zinc/36/66/95/455366695.db2.gz WTHUZOQFQKSKAF-UHFFFAOYSA-N 0 0 327.296 3.305 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066660970 453860043 /nfs/dbraw/zinc/86/00/43/453860043.db2.gz RSBUUJUBIJHAMM-SNVBAGLBSA-N 0 0 339.355 3.496 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000075138889 453866156 /nfs/dbraw/zinc/86/61/56/453866156.db2.gz GYPZBKSTYVAAHN-ZDUSSCGKSA-N 0 0 348.428 3.142 10 5 EGBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000032422936 453872062 /nfs/dbraw/zinc/87/20/62/453872062.db2.gz BYPVJUNAEUUAII-UHFFFAOYSA-N 0 0 326.355 3.065 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000075263910 453873715 /nfs/dbraw/zinc/87/37/15/453873715.db2.gz VYXZHPXXSCKWNK-SFHVURJKSA-N 0 0 336.432 3.176 10 5 EGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000066851609 453880641 /nfs/dbraw/zinc/88/06/41/453880641.db2.gz YCZFCTMFGIHRBH-DNVCBOLYSA-N 0 0 342.395 3.436 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000055012934 453955934 /nfs/dbraw/zinc/95/59/34/453955934.db2.gz HQVGPARJIIRSAX-MRXNPFEDSA-N 0 0 335.404 3.029 10 5 EGBERN COc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000055368783 453978359 /nfs/dbraw/zinc/97/83/59/453978359.db2.gz MRXXDYOUXAKETP-UHFFFAOYSA-N 0 0 332.331 3.057 10 5 EGBERN C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000055466053 453986947 /nfs/dbraw/zinc/98/69/47/453986947.db2.gz PMWXBOJKXMNKLK-MGPLVRAMSA-N 0 0 346.770 3.429 10 5 EGBERN Cc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2cccnc2)cc1[N+](=O)[O-] ZINC000084808153 454010990 /nfs/dbraw/zinc/01/09/90/454010990.db2.gz ROOJMHSRODNWFF-OLZOCXBDSA-N 0 0 330.340 3.370 10 5 EGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000055974693 454030470 /nfs/dbraw/zinc/03/04/70/454030470.db2.gz BSCBQDFGOHTJJC-VIFPVBQESA-N 0 0 344.776 3.189 10 5 EGBERN CCc1noc(CCCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000056199700 454043893 /nfs/dbraw/zinc/04/38/93/454043893.db2.gz NZLBQAFUQXSCJX-LBPRGKRZSA-N 0 0 346.387 3.083 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 ZINC000087004025 454055995 /nfs/dbraw/zinc/05/59/95/454055995.db2.gz VSPCIHWQIQSBAP-INIZCTEOSA-N 0 0 326.352 3.167 10 5 EGBERN COc1ccc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000056460144 454060005 /nfs/dbraw/zinc/06/00/05/454060005.db2.gz KPEFRNXGYYINFU-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccsc1 ZINC000043770919 454077045 /nfs/dbraw/zinc/07/70/45/454077045.db2.gz NVWPBKMODQUEFN-LLVKDONJSA-N 0 0 336.438 3.496 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000184590268 455408994 /nfs/dbraw/zinc/40/89/94/455408994.db2.gz VVBMOBKPWGVPJZ-KGLIPLIRSA-N 0 0 346.456 3.491 10 5 EGBERN COC(=O)/C=C\c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1 ZINC000043930560 454083559 /nfs/dbraw/zinc/08/35/59/454083559.db2.gz VJRAKKYCDNWDGI-CLTKARDFSA-N 0 0 345.380 3.464 10 5 EGBERN C[C@H](COc1ccccc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089204644 454126476 /nfs/dbraw/zinc/12/64/76/454126476.db2.gz DPZOGXVFPQTVPT-LLVKDONJSA-N 0 0 340.339 3.125 10 5 EGBERN Cc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000077658608 454136373 /nfs/dbraw/zinc/13/63/73/454136373.db2.gz DEWMMHIRBPUEJR-OAHLLOKOSA-N 0 0 329.356 3.148 10 5 EGBERN Cc1sc(C(=O)NCCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000045139805 454141431 /nfs/dbraw/zinc/14/14/31/454141431.db2.gz WNMOBKUYKKVBGI-UHFFFAOYSA-N 0 0 344.396 3.135 10 5 EGBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057926863 454157408 /nfs/dbraw/zinc/15/74/08/454157408.db2.gz OYQFCLHKZLBYRA-LBPRGKRZSA-N 0 0 326.418 3.184 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000119257488 454182382 /nfs/dbraw/zinc/18/23/82/454182382.db2.gz HDRUTAHAICMZDV-WMZOPIPTSA-N 0 0 339.395 3.240 10 5 EGBERN CC(=O)N(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000071185290 454201659 /nfs/dbraw/zinc/20/16/59/454201659.db2.gz SIOTYQLXGROZBM-UHFFFAOYSA-N 0 0 341.367 3.134 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)cc1[N+](=O)[O-] ZINC000071478571 454207650 /nfs/dbraw/zinc/20/76/50/454207650.db2.gz FBTQPYBXAYVXBP-UHFFFAOYSA-N 0 0 340.339 3.202 10 5 EGBERN Cc1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000071855269 454232310 /nfs/dbraw/zinc/23/23/10/454232310.db2.gz SGEJVENVGMFVJX-UHFFFAOYSA-N 0 0 337.426 3.441 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1NCCc1csc(N2CCCC2)n1 ZINC000078340387 454235071 /nfs/dbraw/zinc/23/50/71/454235071.db2.gz HWORMVGZAQPOGH-UHFFFAOYSA-N 0 0 333.417 3.010 10 5 EGBERN Cc1c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cnn1C ZINC000095945509 454236021 /nfs/dbraw/zinc/23/60/21/454236021.db2.gz VEBPYIXQCAENIS-CQSZACIVSA-N 0 0 348.790 3.267 10 5 EGBERN CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000131334522 454246647 /nfs/dbraw/zinc/24/66/47/454246647.db2.gz JEDIJUYYDBIRDJ-GFCCVEGCSA-N 0 0 337.426 3.411 10 5 EGBERN CCN(Cc1ccccc1)C(=O)COc1cc([N+](=O)[O-])ccc1C ZINC000059125289 454254674 /nfs/dbraw/zinc/25/46/74/454254674.db2.gz LAALFHWLMMAESE-UHFFFAOYSA-N 0 0 328.368 3.331 10 5 EGBERN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1c1ccccc1 ZINC000078460863 454256479 /nfs/dbraw/zinc/25/64/79/454256479.db2.gz ZVOLGHIITIBOGN-HZMBPMFUSA-N 0 0 346.774 3.249 10 5 EGBERN CC[S@@](=O)CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072284369 454283000 /nfs/dbraw/zinc/28/30/00/454283000.db2.gz BZLVIUKNDAIINW-DEOSSOPVSA-N 0 0 346.408 3.006 10 5 EGBERN CCOC(=O)Cc1csc(Sc2ncc(C)cc2[N+](=O)[O-])n1 ZINC000078626895 454288839 /nfs/dbraw/zinc/28/88/39/454288839.db2.gz AAZXUNMYCZYNRP-UHFFFAOYSA-N 0 0 339.398 3.012 10 5 EGBERN CC(C)N(CCc1nccs1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000132325552 454329585 /nfs/dbraw/zinc/32/95/85/454329585.db2.gz HVSYENDORUTXJD-UHFFFAOYSA-N 0 0 333.413 3.074 10 5 EGBERN Cc1cccc2c1ncnc2N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000132796687 454366667 /nfs/dbraw/zinc/36/66/67/454366667.db2.gz JGCJYEMTYGHLDP-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CNC(=O)C1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000063282319 454401050 /nfs/dbraw/zinc/40/10/50/454401050.db2.gz AZKUEXOIVDPAFP-UHFFFAOYSA-N 0 0 345.321 3.330 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000133413071 454423510 /nfs/dbraw/zinc/42/35/10/454423510.db2.gz QIQHJKWSMWZDST-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000121343427 454423632 /nfs/dbraw/zinc/42/36/32/454423632.db2.gz OSFOOOGDEGDLJJ-UHOFOFEASA-N 0 0 328.393 3.423 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000091627850 454451631 /nfs/dbraw/zinc/45/16/31/454451631.db2.gz NHKUARAYQSDZAN-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN Cc1cnc(N2CCN([C@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000091628964 454451785 /nfs/dbraw/zinc/45/17/85/454451785.db2.gz OSAHNVTWHNIWMT-CQSZACIVSA-N 0 0 344.390 3.321 10 5 EGBERN Cc1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000091627872 454452126 /nfs/dbraw/zinc/45/21/26/454452126.db2.gz STFVFELAVVWPNM-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN C[C@H](c1cccs1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244783 454469310 /nfs/dbraw/zinc/46/93/10/454469310.db2.gz KIHALTAYVPBVTG-MRVPVSSYSA-N 0 0 332.428 3.100 10 5 EGBERN Cc1sc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000175462972 455450721 /nfs/dbraw/zinc/45/07/21/455450721.db2.gz TZADREXHSBUITI-JQWIXIFHSA-N 0 0 326.443 3.465 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccn(-c2ccccc2)n1 ZINC000103375867 454551265 /nfs/dbraw/zinc/55/12/65/454551265.db2.gz RXRXIKFFRITKHF-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN O=C1Nc2ccccc2[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 ZINC000103359516 454551572 /nfs/dbraw/zinc/55/15/72/454551572.db2.gz MAAPOBWPTYWEIF-AZUAARDMSA-N 0 0 349.390 3.400 10 5 EGBERN Cc1noc(C)c1[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375229 454551609 /nfs/dbraw/zinc/55/16/09/454551609.db2.gz XZIJETNHYNYYKA-ZJUUUORDSA-N 0 0 329.356 3.281 10 5 EGBERN CN(CC(=O)NC(C)(C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000049602789 454553255 /nfs/dbraw/zinc/55/32/55/454553255.db2.gz WJFYSNLUYQPFBD-UHFFFAOYSA-N 0 0 349.434 3.375 10 5 EGBERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000065621327 454606854 /nfs/dbraw/zinc/60/68/54/454606854.db2.gz DIKVVTMTWFMUEO-LBPRGKRZSA-N 0 0 341.367 3.353 10 5 EGBERN Cc1cc(NCc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000051422970 454624227 /nfs/dbraw/zinc/62/42/27/454624227.db2.gz SRUSNIFUZDFJNW-UHFFFAOYSA-N 0 0 341.411 3.348 10 5 EGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814343 454626592 /nfs/dbraw/zinc/62/65/92/454626592.db2.gz OUKOMEOKELZNDY-KKNUOHPOSA-N 0 0 343.427 3.312 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065813757 454627079 /nfs/dbraw/zinc/62/70/79/454627079.db2.gz MXXQIMUZCGBTQQ-PJPHBNEVSA-N 0 0 343.427 3.434 10 5 EGBERN COc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1CO ZINC000092763570 454627880 /nfs/dbraw/zinc/62/78/80/454627880.db2.gz RDCUKERCFOFUBN-UHFFFAOYSA-N 0 0 344.367 3.273 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000074809514 454639081 /nfs/dbraw/zinc/63/90/81/454639081.db2.gz FWQYHEGVKAWOLH-HIFRSBDPSA-N 0 0 348.790 3.358 10 5 EGBERN Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n1 ZINC000052473154 454676608 /nfs/dbraw/zinc/67/66/08/454676608.db2.gz WBGFSLCWQSNUPV-UHFFFAOYSA-N 0 0 328.372 3.049 10 5 EGBERN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327486 454684859 /nfs/dbraw/zinc/68/48/59/454684859.db2.gz WPPZNSRNEXHMNP-MRVPVSSYSA-N 0 0 344.439 3.026 10 5 EGBERN C[C@]1(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCCO1 ZINC000124095909 454699274 /nfs/dbraw/zinc/69/92/74/454699274.db2.gz WDIZUNSLFNOIDS-CQSZACIVSA-N 0 0 346.305 3.055 10 5 EGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1 ZINC000161579298 454704762 /nfs/dbraw/zinc/70/47/62/454704762.db2.gz MUJAFRAXUYBQIC-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000176247523 454716170 /nfs/dbraw/zinc/71/61/70/454716170.db2.gz FRVWLDFJBYXCPR-AWEZNQCLSA-N 0 0 345.424 3.390 10 5 EGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000152787853 454725729 /nfs/dbraw/zinc/72/57/29/454725729.db2.gz DAVWSHTWUATMGM-QMTHXVAHSA-N 0 0 330.315 3.028 10 5 EGBERN CC(C)COC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000124446470 454734253 /nfs/dbraw/zinc/73/42/53/454734253.db2.gz AMVFYCJTTZSOPR-UHFFFAOYSA-N 0 0 334.416 3.191 10 5 EGBERN CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153136401 454763417 /nfs/dbraw/zinc/76/34/17/454763417.db2.gz ACBCAFWKFCZNMS-MRXNPFEDSA-N 0 0 348.424 3.036 10 5 EGBERN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@@H]2c2nccs2)c1 ZINC000137016189 454764857 /nfs/dbraw/zinc/76/48/57/454764857.db2.gz CQVRWCDABKWRFL-HUUCEWRRSA-N 0 0 333.413 3.312 10 5 EGBERN Cc1cc(C)c(CS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000600941754 460654119 /nfs/dbraw/zinc/65/41/19/460654119.db2.gz IPXYGGUIHKQLDK-UHFFFAOYSA-N 0 0 334.397 3.030 10 5 EGBERN O=C(C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000137666020 454783621 /nfs/dbraw/zinc/78/36/21/454783621.db2.gz OKIQDMZAGAVEHN-UHFFFAOYSA-N 0 0 349.406 3.353 10 5 EGBERN CN(Cc1cccnc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600941812 460654464 /nfs/dbraw/zinc/65/44/64/460654464.db2.gz KMEMUJUXBWZYEG-UHFFFAOYSA-N 0 0 325.368 3.070 10 5 EGBERN O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000153431933 454792539 /nfs/dbraw/zinc/79/25/39/454792539.db2.gz UPAKRHNIWNZBRY-UHFFFAOYSA-N 0 0 334.416 3.112 10 5 EGBERN COc1ccc(F)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000125042361 454792855 /nfs/dbraw/zinc/79/28/55/454792855.db2.gz FYLLRSLYQCFCGD-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(F)cc2C1 ZINC000162819758 454802753 /nfs/dbraw/zinc/80/27/53/454802753.db2.gz SOVBVCDXYWZMKJ-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125265317 454808908 /nfs/dbraw/zinc/80/89/08/454808908.db2.gz CNJGBSGOIDHEDJ-CMPLNLGQSA-N 0 0 344.458 3.084 10 5 EGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1cccs1 ZINC000125321918 454814628 /nfs/dbraw/zinc/81/46/28/454814628.db2.gz NVDKVJXBIWRIBA-JTQLQIEISA-N 0 0 340.426 3.275 10 5 EGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125412858 454819830 /nfs/dbraw/zinc/81/98/30/454819830.db2.gz XVEMUACRFHNPCA-WBMJQRKESA-N 0 0 342.399 3.245 10 5 EGBERN C[C@@](O)(CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000153777819 454832457 /nfs/dbraw/zinc/83/24/57/454832457.db2.gz GLRLVKKAQGBEBC-CQSZACIVSA-N 0 0 343.717 3.241 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCOCc1ccc(Cl)cc1 ZINC000163237940 454832577 /nfs/dbraw/zinc/83/25/77/454832577.db2.gz PEXVZVKTMSDBCO-UHFFFAOYSA-N 0 0 348.786 3.124 10 5 EGBERN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Cl ZINC000144925238 454851018 /nfs/dbraw/zinc/85/10/18/454851018.db2.gz PGPVCQBZWSMDFP-UHFFFAOYSA-N 0 0 348.746 3.162 10 5 EGBERN COC(=O)[C@H](C)CN(Cc1ccccc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000154268468 454879967 /nfs/dbraw/zinc/87/99/67/454879967.db2.gz GDCNSAAYMBFTAG-CQSZACIVSA-N 0 0 343.383 3.114 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000150789500 454892861 /nfs/dbraw/zinc/89/28/61/454892861.db2.gz LAFNBQQYMJSNFV-JKSUJKDBSA-N 0 0 332.400 3.405 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000150811632 454895632 /nfs/dbraw/zinc/89/56/32/454895632.db2.gz KGILHRSCWGXAOH-HOTGVXAUSA-N 0 0 343.383 3.154 10 5 EGBERN Cc1c(Br)c(N[C@@H](C)[C@@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000165721351 454902840 /nfs/dbraw/zinc/90/28/40/454902840.db2.gz ASYXVUPMMNIRHF-WPRPVWTQSA-N 0 0 330.182 3.040 10 5 EGBERN CC[C@H](NC(=O)[C@H](C)Oc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177805298 454908826 /nfs/dbraw/zinc/90/88/26/454908826.db2.gz VYVSIBNIQLMXDM-LRDDRELGSA-N 0 0 329.356 3.025 10 5 EGBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113892072 454937416 /nfs/dbraw/zinc/93/74/16/454937416.db2.gz OQZBHQHDSJLLMQ-CYBMUJFWSA-N 0 0 334.763 3.339 10 5 EGBERN CC[C@@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671904 454967631 /nfs/dbraw/zinc/96/76/31/454967631.db2.gz MFDRZKBLCQWPEE-CVEARBPZSA-N 0 0 331.347 3.001 10 5 EGBERN O=[N+]([O-])c1ccc(SCc2ccc(Br)cn2)nc1 ZINC000178752033 454972660 /nfs/dbraw/zinc/97/26/60/454972660.db2.gz CTJWNDDNPSHBDX-UHFFFAOYSA-N 0 0 326.175 3.440 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127566358 454977606 /nfs/dbraw/zinc/97/76/06/454977606.db2.gz QLJMUZBGROQHGD-MEDUHNTESA-N 0 0 338.791 3.015 10 5 EGBERN Cc1c(NC(=O)N2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000151458920 454987374 /nfs/dbraw/zinc/98/73/74/454987374.db2.gz LCEWBICYRVJHCV-UHFFFAOYSA-N 0 0 329.360 3.038 10 5 EGBERN Cc1ccsc1[C@H](CO)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127756112 454994854 /nfs/dbraw/zinc/99/48/54/454994854.db2.gz IJDJKRSBAQJPHF-LBPRGKRZSA-N 0 0 349.412 3.437 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1cccnc1 ZINC000115228175 455006092 /nfs/dbraw/zinc/00/60/92/455006092.db2.gz BUQQBRHVYZBZLV-LBPRGKRZSA-N 0 0 347.346 3.117 10 5 EGBERN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1cccnc1 ZINC000115228176 455006140 /nfs/dbraw/zinc/00/61/40/455006140.db2.gz BUQQBRHVYZBZLV-GFCCVEGCSA-N 0 0 347.346 3.117 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000151743535 455024758 /nfs/dbraw/zinc/02/47/58/455024758.db2.gz HGRYFMDJZCBIAO-ZIAGYGMSSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156060709 455077808 /nfs/dbraw/zinc/07/78/08/455077808.db2.gz LDDSNCNPSLTOTP-NSHDSACASA-N 0 0 345.403 3.006 10 5 EGBERN COc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1 ZINC000129867612 455131155 /nfs/dbraw/zinc/13/11/55/455131155.db2.gz ROGACNARWVXZLT-UHFFFAOYSA-N 0 0 341.323 3.346 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000180150557 455139952 /nfs/dbraw/zinc/13/99/52/455139952.db2.gz ZVEWRBIKSCCEGY-SMDDNHRTSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@@H]1CC[C@@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)O1 ZINC000180291521 455155477 /nfs/dbraw/zinc/15/54/77/455155477.db2.gz JIWGEAZVEBQIGB-YGRLFVJLSA-N 0 0 347.396 3.249 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCO1 ZINC000181061934 455282131 /nfs/dbraw/zinc/28/21/31/455282131.db2.gz QDBPMDJJXIKYMR-CYBMUJFWSA-N 0 0 338.429 3.346 10 5 EGBERN CCOC(=O)c1csc(CCNc2ccc([N+](=O)[O-])cc2F)n1 ZINC000190215094 455288717 /nfs/dbraw/zinc/28/87/17/455288717.db2.gz LSNHUHFSVXHGAA-UHFFFAOYSA-N 0 0 339.348 3.022 10 5 EGBERN C[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccccc1 ZINC000158388416 455298091 /nfs/dbraw/zinc/29/80/91/455298091.db2.gz TXFDDUWOPYPYBN-JTQLQIEISA-N 0 0 337.173 3.323 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCc2cc(Cl)ccc21 ZINC000183604168 455311216 /nfs/dbraw/zinc/31/12/16/455311216.db2.gz SWRCMNUDUSOLSJ-GFCCVEGCSA-N 0 0 332.747 3.452 10 5 EGBERN CO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000190418584 455312162 /nfs/dbraw/zinc/31/21/62/455312162.db2.gz DCWSLZBQIZRDDS-TVQRCGJNSA-N 0 0 327.768 3.137 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265451460 455327287 /nfs/dbraw/zinc/32/72/87/455327287.db2.gz CKBNIOVPVOCBFR-UHFFFAOYSA-N 0 0 344.415 3.485 10 5 EGBERN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000159334787 455370557 /nfs/dbraw/zinc/37/05/57/455370557.db2.gz XOGVWMFFFPVJKP-GFCCVEGCSA-N 0 0 343.383 3.298 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccccc1Cl ZINC000159351329 455371485 /nfs/dbraw/zinc/37/14/85/455371485.db2.gz GRBNSDLFWPRREN-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832371 455390031 /nfs/dbraw/zinc/39/00/31/455390031.db2.gz DJINEJASYSVGIH-ZDUSSCGKSA-N 0 0 348.424 3.191 10 5 EGBERN CC1(C)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000159985064 455419892 /nfs/dbraw/zinc/41/98/92/455419892.db2.gz ZBKFBKFDEGSHNQ-ZDUSSCGKSA-N 0 0 341.367 3.209 10 5 EGBERN CCn1cnnc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109943 455438250 /nfs/dbraw/zinc/43/82/50/455438250.db2.gz MUFIFPGSZLQVNR-ZDUSSCGKSA-N 0 0 349.822 3.239 10 5 EGBERN O=C(NCc1ccc(Cl)cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000182133998 455443983 /nfs/dbraw/zinc/44/39/83/455443983.db2.gz LOBDYJLLXBRRMN-UHFFFAOYSA-N 0 0 326.139 3.227 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000191499237 455491087 /nfs/dbraw/zinc/49/10/87/455491087.db2.gz RNJKGQWAFORCSO-ZDUSSCGKSA-N 0 0 348.790 3.442 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)n1 ZINC000191627817 455505414 /nfs/dbraw/zinc/50/54/14/455505414.db2.gz XMGODSVGIVOGBL-CYBMUJFWSA-N 0 0 346.387 3.470 10 5 EGBERN CCCn1nccc1NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000185216375 455522729 /nfs/dbraw/zinc/52/27/29/455522729.db2.gz NQNXNRNPKFGDGR-AWEZNQCLSA-N 0 0 330.388 3.409 10 5 EGBERN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000267342905 455542976 /nfs/dbraw/zinc/54/29/76/455542976.db2.gz GXKVQJDQFTWDQM-CYBMUJFWSA-N 0 0 332.335 3.133 10 5 EGBERN Cc1ccc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000182569044 455543675 /nfs/dbraw/zinc/54/36/75/455543675.db2.gz CLCPTHVHCSFUHU-LLVKDONJSA-N 0 0 328.328 3.397 10 5 EGBERN CC(C)c1ccc(/C=C/CC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000161306126 455557379 /nfs/dbraw/zinc/55/73/79/455557379.db2.gz CVZBTVJPHCCAAN-ONEGZZNKSA-N 0 0 342.399 3.134 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000185602407 455584397 /nfs/dbraw/zinc/58/43/97/455584397.db2.gz SNKBNMKJDVWHCR-LLVKDONJSA-N 0 0 330.315 3.470 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H](C)c2nccs2)CC1 ZINC000185619186 455585902 /nfs/dbraw/zinc/58/59/02/455585902.db2.gz ILMAODNRLYGTQR-AWEZNQCLSA-N 0 0 346.456 3.239 10 5 EGBERN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271375862 455615665 /nfs/dbraw/zinc/61/56/65/455615665.db2.gz IUKSDTMHTKSWBR-SUMWQHHRSA-N 0 0 342.399 3.250 10 5 EGBERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271375849 455615734 /nfs/dbraw/zinc/61/57/34/455615734.db2.gz IUKSDTMHTKSWBR-DYVFJYSZSA-N 0 0 342.399 3.250 10 5 EGBERN CCC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000192487016 455629493 /nfs/dbraw/zinc/62/94/93/455629493.db2.gz WPNCPKPAJQJKKQ-GFCCVEGCSA-N 0 0 336.388 3.143 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000271425688 455631935 /nfs/dbraw/zinc/63/19/35/455631935.db2.gz QWIRSPGTAQKJFZ-LJWDBELGSA-N 0 0 348.790 3.109 10 5 EGBERN COC(=O)c1cc(NCCC[C@@H]2CCCCO2)cc(C)c1[N+](=O)[O-] ZINC000186079514 455690192 /nfs/dbraw/zinc/69/01/92/455690192.db2.gz FHWOVTZRNLSXQR-AWEZNQCLSA-N 0 0 336.388 3.451 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)c2cccc(O)c21 ZINC000186254939 455726123 /nfs/dbraw/zinc/72/61/23/455726123.db2.gz OEQNUUPWOLAQLA-SNVBAGLBSA-N 0 0 327.340 3.158 10 5 EGBERN COc1ccc(F)cc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186364718 455752850 /nfs/dbraw/zinc/75/28/50/455752850.db2.gz BBUJRFPRVWJOJW-NSHDSACASA-N 0 0 347.346 3.303 10 5 EGBERN Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)n(C)n1 ZINC000278097910 455757367 /nfs/dbraw/zinc/75/73/67/455757367.db2.gz WDTZOYVAMFZTEX-OAHLLOKOSA-N 0 0 329.404 3.026 10 5 EGBERN CC(C)[C@@H](CCO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278132607 455766454 /nfs/dbraw/zinc/76/64/54/455766454.db2.gz MZQUWYSOOGNWHI-MRXNPFEDSA-N 0 0 338.407 3.230 10 5 EGBERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272068714 455838425 /nfs/dbraw/zinc/83/84/25/455838425.db2.gz FCFFPOPIJZJLCC-GHMZBOCLSA-N 0 0 330.388 3.306 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(C2CCCC2)no1 ZINC000194775891 455881669 /nfs/dbraw/zinc/88/16/69/455881669.db2.gz CYICHYWMQCGBQO-NSHDSACASA-N 0 0 344.371 3.435 10 5 EGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cc3n(n2)CCCC3)c1 ZINC000285633188 455886444 /nfs/dbraw/zinc/88/64/44/455886444.db2.gz YUMXQVKJJVIORZ-UHFFFAOYSA-N 0 0 338.314 3.341 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296246203 455890817 /nfs/dbraw/zinc/89/08/17/455890817.db2.gz OQHXMOCZWNZJBA-AAEUAGOBSA-N 0 0 344.358 3.027 10 5 EGBERN Cc1cc(=O)n(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000601078559 460700779 /nfs/dbraw/zinc/70/07/79/460700779.db2.gz MBMOQUKFVXPSRN-PHIMTYICSA-N 0 0 346.305 3.003 10 5 EGBERN CCN(CC(F)(F)F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000601081364 460702009 /nfs/dbraw/zinc/70/20/09/460702009.db2.gz WBUCMWNOWYXGOW-UHFFFAOYSA-N 0 0 336.335 3.239 10 5 EGBERN CCc1noc(C)c1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000296511158 455959601 /nfs/dbraw/zinc/95/96/01/455959601.db2.gz CJCDJFWKMSXHLO-SNVBAGLBSA-N 0 0 332.360 3.014 10 5 EGBERN CCC[C@H](OC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000296546309 455968719 /nfs/dbraw/zinc/96/87/19/455968719.db2.gz BNMSNKAUOOIYNQ-LBPRGKRZSA-N 0 0 345.193 3.419 10 5 EGBERN C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286077042 455972129 /nfs/dbraw/zinc/97/21/29/455972129.db2.gz AAWGRUSEHWAQKF-STQMWFEESA-N 0 0 345.399 3.232 10 5 EGBERN CC1(C)CC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000188201097 456020704 /nfs/dbraw/zinc/02/07/04/456020704.db2.gz PZQQQQWHIHIWPW-INIZCTEOSA-N 0 0 347.415 3.226 10 5 EGBERN Cc1nc(Cl)ccc1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000270709624 456020768 /nfs/dbraw/zinc/02/07/68/456020768.db2.gz CHVHUGVPEXETDS-UHFFFAOYSA-N 0 0 333.775 3.153 10 5 EGBERN CO[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296858959 456054408 /nfs/dbraw/zinc/05/44/08/456054408.db2.gz FFNFQAGBJYRISH-BYIUCRAPSA-N 0 0 332.400 3.272 10 5 EGBERN Cc1c(NC(=O)N[C@@H]2C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000280804549 456055517 /nfs/dbraw/zinc/05/55/17/456055517.db2.gz RPHWAOOUCVUFOI-HZGVNTEJSA-N 0 0 328.166 3.196 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2ccnc(OCC3CC3)c2)c(Cl)c1 ZINC000301261118 456074183 /nfs/dbraw/zinc/07/41/83/456074183.db2.gz GDWWDSGNOBLSFI-UHFFFAOYSA-N 0 0 334.763 3.439 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000296967222 456077542 /nfs/dbraw/zinc/07/75/42/456077542.db2.gz PSSBLCSBHBIMSS-HTQZYQBOSA-N 0 0 349.284 3.119 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2ccccc2F)CC1 ZINC000301287808 456082370 /nfs/dbraw/zinc/08/23/70/456082370.db2.gz RLTNAXZQICUTHR-UHFFFAOYSA-N 0 0 343.358 3.237 10 5 EGBERN CCOc1cc(OCC(=O)Nc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000188584604 456088757 /nfs/dbraw/zinc/08/87/57/456088757.db2.gz OZTFCZYIUYKQMT-UHFFFAOYSA-N 0 0 330.340 3.319 10 5 EGBERN CC[C@H]1CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000297042344 456100625 /nfs/dbraw/zinc/10/06/25/456100625.db2.gz LQFLKHHFMBAKIW-ZETCQYMHSA-N 0 0 339.200 3.075 10 5 EGBERN COc1cc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057990 456115679 /nfs/dbraw/zinc/11/56/79/456115679.db2.gz BGGNGKDOMQFSEV-ABAIWWIYSA-N 0 0 334.351 3.027 10 5 EGBERN COc1cc(N[C@H]2CCN(c3ncccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000301618601 456163949 /nfs/dbraw/zinc/16/39/49/456163949.db2.gz LEIKGXWELDOZDZ-LBPRGKRZSA-N 0 0 348.790 3.343 10 5 EGBERN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccs1 ZINC000301639749 456170505 /nfs/dbraw/zinc/17/05/05/456170505.db2.gz MUDZWNLOJZHUJY-UHFFFAOYSA-N 0 0 347.396 3.377 10 5 EGBERN C[C@H](CCc1cccn1C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121688 460718549 /nfs/dbraw/zinc/71/85/49/460718549.db2.gz PZIKREIUHDVFDH-SECBINFHSA-N 0 0 345.325 3.119 10 5 EGBERN CSCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188958794 456182771 /nfs/dbraw/zinc/18/27/71/456182771.db2.gz AGZDFDXOXGQXNG-UHFFFAOYSA-N 0 0 332.381 3.475 10 5 EGBERN COC(=O)c1cc(N2CCS[C@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695627 456190325 /nfs/dbraw/zinc/19/03/25/456190325.db2.gz PKUJNAQUXXSGCX-AWEZNQCLSA-N 0 0 338.429 3.268 10 5 EGBERN Cc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000601129019 460722676 /nfs/dbraw/zinc/72/26/76/460722676.db2.gz LDFSOGRNIVYBJV-AWEZNQCLSA-N 0 0 347.346 3.217 10 5 EGBERN COc1cc(NCCc2nc3cc(F)ccc3[nH]2)c([N+](=O)[O-])cc1F ZINC000301726120 456199034 /nfs/dbraw/zinc/19/90/34/456199034.db2.gz PYVCOLMUDZKPMA-UHFFFAOYSA-N 0 0 348.309 3.413 10 5 EGBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301750849 456205142 /nfs/dbraw/zinc/20/51/42/456205142.db2.gz URTGMOYVUNNGSR-ZWNOBZJWSA-N 0 0 344.396 3.132 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ncc(F)cc2[N+](=O)[O-])cs1 ZINC000601121314 460718999 /nfs/dbraw/zinc/71/89/99/460718999.db2.gz OLWGUZORDZDPCP-VIFPVBQESA-N 0 0 340.380 3.319 10 5 EGBERN Cc1ccc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC000301908634 456248660 /nfs/dbraw/zinc/24/86/60/456248660.db2.gz ALZVCGFPSMWEQJ-QMMMGPOBSA-N 0 0 330.387 3.134 10 5 EGBERN CCCCO[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C ZINC000302005081 456268778 /nfs/dbraw/zinc/26/87/78/456268778.db2.gz SHXHSKXIWIELHH-RYUDHWBXSA-N 0 0 333.392 3.033 10 5 EGBERN C[C@H]1CC[C@@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000302064356 456278931 /nfs/dbraw/zinc/27/89/31/456278931.db2.gz VIWVAQCDEJMMEX-BLLLJJGKSA-N 0 0 338.429 3.015 10 5 EGBERN CN(C)c1ncccc1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302073343 456279833 /nfs/dbraw/zinc/27/98/33/456279833.db2.gz ZVTGXKQTVUMCKW-UHFFFAOYSA-N 0 0 338.314 3.269 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(OCc2ccc(F)cc2)CC1 ZINC000601137024 460726307 /nfs/dbraw/zinc/72/63/07/460726307.db2.gz QGPOCHVRYJPPTJ-UHFFFAOYSA-N 0 0 349.337 3.454 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000302176209 456307962 /nfs/dbraw/zinc/30/79/62/456307962.db2.gz MZAGNUFNBXTIFU-CYBMUJFWSA-N 0 0 334.372 3.285 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000275782771 456312111 /nfs/dbraw/zinc/31/21/11/456312111.db2.gz JRDAPECBKCAYIZ-OCCSQVGLSA-N 0 0 338.791 3.244 10 5 EGBERN CCO[C@H]1C[C@@H](N(C)c2ccc3ncc([N+](=O)[O-])n3n2)C1(CC)CC ZINC000340252104 456342357 /nfs/dbraw/zinc/34/23/57/456342357.db2.gz FUXFHSKLZHGBMU-OLZOCXBDSA-N 0 0 347.419 3.058 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000343012545 456355528 /nfs/dbraw/zinc/35/55/28/456355528.db2.gz LJCFACXVFBVTLW-UHFFFAOYSA-N 0 0 338.323 3.251 10 5 EGBERN COC(=O)c1ccc(CNc2cc(C)nc3c2cccc3[N+](=O)[O-])o1 ZINC000302739880 456389035 /nfs/dbraw/zinc/38/90/35/456389035.db2.gz YOENZUQENSIZML-UHFFFAOYSA-N 0 0 341.323 3.443 10 5 EGBERN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000347845814 456401712 /nfs/dbraw/zinc/40/17/12/456401712.db2.gz KHHHWZQELGFHNL-ONGXEEELSA-N 0 0 346.305 3.325 10 5 EGBERN O=C(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 ZINC000343120941 456416916 /nfs/dbraw/zinc/41/69/16/456416916.db2.gz QWQGTSUKPGRFME-UHFFFAOYSA-N 0 0 342.326 3.108 10 5 EGBERN C[C@H]1CN(C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302853633 456416931 /nfs/dbraw/zinc/41/69/31/456416931.db2.gz JWWYAOIXJYPZGV-RYUDHWBXSA-N 0 0 325.384 3.034 10 5 EGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1ccnc2cc(F)cnc21 ZINC000343152796 456437793 /nfs/dbraw/zinc/43/77/93/456437793.db2.gz HYRCHOPAXXNMHF-UHFFFAOYSA-N 0 0 326.331 3.356 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(OC(F)F)cc1)CC2 ZINC000353002475 456441155 /nfs/dbraw/zinc/44/11/55/456441155.db2.gz FNHZZVFUELAEDK-UHFFFAOYSA-N 0 0 335.310 3.150 10 5 EGBERN C[C@H]1N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000348051673 456446674 /nfs/dbraw/zinc/44/66/74/456446674.db2.gz SOFZIQRFUYVGGC-CQSZACIVSA-N 0 0 346.427 3.290 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2cccc(C)n2)c1 ZINC000343222993 456462941 /nfs/dbraw/zinc/46/29/41/456462941.db2.gz OVJOYYPUWUJNNZ-UHFFFAOYSA-N 0 0 329.356 3.130 10 5 EGBERN COc1ccc2occ(C(=O)NCCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000337705103 456494058 /nfs/dbraw/zinc/49/40/58/456494058.db2.gz ISKSXDSIPAWBCJ-UHFFFAOYSA-N 0 0 340.335 3.322 10 5 EGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(-c2ccccc2)n1 ZINC000343377703 456572309 /nfs/dbraw/zinc/57/23/09/456572309.db2.gz ZQDNQIKHCCAVFP-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN COCc1cccc(OCC2(Cn3cc(C)c([N+](=O)[O-])n3)CCC2)c1 ZINC000337941130 456612589 /nfs/dbraw/zinc/61/25/89/456612589.db2.gz HGLFSUKYRZPUOE-UHFFFAOYSA-N 0 0 345.399 3.495 10 5 EGBERN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000340692983 456631130 /nfs/dbraw/zinc/63/11/30/456631130.db2.gz WVHLIDDMZKISRM-UHFFFAOYSA-N 0 0 330.340 3.057 10 5 EGBERN Cn1ccc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000353419187 456689032 /nfs/dbraw/zinc/68/90/32/456689032.db2.gz AWNWXWZISLFDBL-UHFFFAOYSA-N 0 0 330.388 3.197 10 5 EGBERN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000326777760 456698965 /nfs/dbraw/zinc/69/89/65/456698965.db2.gz SWBBOFMHOIGPOX-UHFFFAOYSA-N 0 0 340.257 3.249 10 5 EGBERN CC1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000338204967 456704600 /nfs/dbraw/zinc/70/46/00/456704600.db2.gz NVBMDLNZBNGZKF-UHFFFAOYSA-N 0 0 325.368 3.299 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)OCCCO3)c1 ZINC000328394407 456713047 /nfs/dbraw/zinc/71/30/47/456713047.db2.gz OIHXZSYRGJGPEK-UHFFFAOYSA-N 0 0 344.323 3.286 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353499929 456718507 /nfs/dbraw/zinc/71/85/07/456718507.db2.gz FEWFIOWPFHPKTG-UHFFFAOYSA-N 0 0 339.351 3.057 10 5 EGBERN O=[N+]([O-])c1cc2cnn(Cc3ccc4c(c3)OCCO4)c2c(Cl)c1 ZINC000340851886 456719346 /nfs/dbraw/zinc/71/93/46/456719346.db2.gz GBCNLKWCUPRADG-UHFFFAOYSA-N 0 0 345.742 3.417 10 5 EGBERN Cc1ccoc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000343583076 456723157 /nfs/dbraw/zinc/72/31/57/456723157.db2.gz RQDOEZAKADIUAA-UHFFFAOYSA-N 0 0 328.246 3.445 10 5 EGBERN C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000340957704 456783648 /nfs/dbraw/zinc/78/36/48/456783648.db2.gz IGYCREOSUMSLHC-SNVBAGLBSA-N 0 0 332.743 3.308 10 5 EGBERN COc1ccc(NC(=O)[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000301061383 456786522 /nfs/dbraw/zinc/78/65/22/456786522.db2.gz ATQFUTXBUMCHLN-QGZVFWFLSA-N 0 0 341.367 3.211 10 5 EGBERN Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cn1 ZINC000348638531 456793824 /nfs/dbraw/zinc/79/38/24/456793824.db2.gz WKODBRDCIPKDPK-UHFFFAOYSA-N 0 0 339.273 3.247 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301132371 456803863 /nfs/dbraw/zinc/80/38/63/456803863.db2.gz TWHOYBHBWVOHKC-GFCCVEGCSA-N 0 0 337.395 3.111 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277393579 456807601 /nfs/dbraw/zinc/80/76/01/456807601.db2.gz JIYVRDYCLJSKDM-NSHDSACASA-N 0 0 346.305 3.165 10 5 EGBERN CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000301222420 456824552 /nfs/dbraw/zinc/82/45/52/456824552.db2.gz CWIWUROCNLDMGO-HNNXBMFYSA-N 0 0 347.321 3.115 10 5 EGBERN CCN(CC)C(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301234463 456829404 /nfs/dbraw/zinc/82/94/04/456829404.db2.gz CIYUCGSGAXYVQV-CQSZACIVSA-N 0 0 325.796 3.085 10 5 EGBERN CNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301241720 456830679 /nfs/dbraw/zinc/83/06/79/456830679.db2.gz JYLMPXBMIOCABK-PIGZYNQJSA-N 0 0 325.368 3.300 10 5 EGBERN CCN(C[C@H]1COc2ccccc2O1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301253940 456835564 /nfs/dbraw/zinc/83/55/64/456835564.db2.gz CNHVCBPKKBCMEN-LBPRGKRZSA-N 0 0 349.774 3.310 10 5 EGBERN CCc1nc(C)c(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000292047026 456840858 /nfs/dbraw/zinc/84/08/58/456840858.db2.gz BCUNFEOCSBBRJF-PKNBQFBNSA-N 0 0 329.356 3.173 10 5 EGBERN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000344953560 456876393 /nfs/dbraw/zinc/87/63/93/456876393.db2.gz RIAJPONBTBCLHD-UHFFFAOYSA-N 0 0 343.339 3.123 10 5 EGBERN COc1cc2c(cc1OC)CCN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000341758126 456931473 /nfs/dbraw/zinc/93/14/73/456931473.db2.gz NHHOARPIMZIXCI-UHFFFAOYSA-N 0 0 346.358 3.356 10 5 EGBERN CO[C@@H](C)CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)C ZINC000353917080 456964727 /nfs/dbraw/zinc/96/47/27/456964727.db2.gz YPWKZPOUXYEVCU-LBPRGKRZSA-N 0 0 335.404 3.055 10 5 EGBERN CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341915943 457000353 /nfs/dbraw/zinc/00/03/53/457000353.db2.gz IUQHCXQPSIKCNU-GUYCJALGSA-N 0 0 337.420 3.142 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354011189 457006722 /nfs/dbraw/zinc/00/67/22/457006722.db2.gz RQDKAGADJKQEOS-NXEZZACHSA-N 0 0 346.305 3.399 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356471226 457007076 /nfs/dbraw/zinc/00/70/76/457007076.db2.gz CGZSNAYEFNREBD-CJNGLKHVSA-N 0 0 332.381 3.125 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358865960 457012013 /nfs/dbraw/zinc/01/20/13/457012013.db2.gz ZZGQGTAFKKBXGN-VIFPVBQESA-N 0 0 336.294 3.373 10 5 EGBERN COc1ccc2c(c1)CCN2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000341935897 457013085 /nfs/dbraw/zinc/01/30/85/457013085.db2.gz ZLLBSKIHJUWMDD-UHFFFAOYSA-N 0 0 328.353 3.302 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ncc[nH]4)no3)cs2)cc1 ZINC000349763906 457042498 /nfs/dbraw/zinc/04/24/98/457042498.db2.gz KJTIKEKQIXNQJJ-UHFFFAOYSA-N 0 0 340.324 3.158 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1cnc(C2CC2)nc1 ZINC000339367607 457071244 /nfs/dbraw/zinc/07/12/44/457071244.db2.gz WPCSJEDRFSPRKG-UHFFFAOYSA-N 0 0 328.372 3.063 10 5 EGBERN CC1CCC(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000330693837 457071870 /nfs/dbraw/zinc/07/18/70/457071870.db2.gz BQAYGRRTXUQWLT-UHFFFAOYSA-N 0 0 335.404 3.123 10 5 EGBERN CCOc1cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)ccc1C ZINC000354132343 457085332 /nfs/dbraw/zinc/08/53/32/457085332.db2.gz RWPCFSACIDYYDJ-UHFFFAOYSA-N 0 0 344.367 3.241 10 5 EGBERN C[C@@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccccc1[N+](=O)[O-] ZINC000342061314 457085708 /nfs/dbraw/zinc/08/57/08/457085708.db2.gz YCMFRCWWWVXROA-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN Cc1c(Br)cc(C(=O)NCC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000356642181 457097948 /nfs/dbraw/zinc/09/79/48/457097948.db2.gz GONVZFLPCKUBJB-SSDOTTSWSA-N 0 0 333.157 3.144 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000356652926 457103870 /nfs/dbraw/zinc/10/38/70/457103870.db2.gz VFLAPZPRTZHBLM-UHFFFAOYSA-N 0 0 348.322 3.201 10 5 EGBERN COc1cc(CNc2cccc(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000339427987 457111700 /nfs/dbraw/zinc/11/17/00/457111700.db2.gz IEJMSEIHQYCVLW-UHFFFAOYSA-N 0 0 329.356 3.497 10 5 EGBERN CCOc1ccc(-c2nc(-c3nc(C)cs3)no2)cc1[N+](=O)[O-] ZINC000356709094 457127371 /nfs/dbraw/zinc/12/73/71/457127371.db2.gz NMCOHBINURAWQK-UHFFFAOYSA-N 0 0 332.341 3.475 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000346738229 457139465 /nfs/dbraw/zinc/13/94/65/457139465.db2.gz HQTKWHUWJLJWCV-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN CCOC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000356778054 457163581 /nfs/dbraw/zinc/16/35/81/457163581.db2.gz MSWTVHGIYXEDLF-OAHLLOKOSA-N 0 0 329.356 3.057 10 5 EGBERN CCOC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000356778053 457163588 /nfs/dbraw/zinc/16/35/88/457163588.db2.gz MSWTVHGIYXEDLF-HNNXBMFYSA-N 0 0 329.356 3.057 10 5 EGBERN CCN(C)C(=O)c1cccc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000342219105 457174675 /nfs/dbraw/zinc/17/46/75/457174675.db2.gz FXDSAZMIGNCDRP-UHFFFAOYSA-N 0 0 343.383 3.307 10 5 EGBERN CCOC(=O)c1ccnc(N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000362995278 457189372 /nfs/dbraw/zinc/18/93/72/457189372.db2.gz BDHBUVFXZAZJQN-VIFPVBQESA-N 0 0 329.303 3.156 10 5 EGBERN COc1ccc(NC(=O)c2ncccc2OC(C)C)cc1[N+](=O)[O-] ZINC000359993159 457191068 /nfs/dbraw/zinc/19/10/68/457191068.db2.gz PWLYYNRXTKFNFV-UHFFFAOYSA-N 0 0 331.328 3.038 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347069912 457215235 /nfs/dbraw/zinc/21/52/35/457215235.db2.gz CKGBCGLGTYOPMR-KPZWWZAWSA-N 0 0 326.352 3.023 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1nccs1)C(F)(F)F ZINC000356934313 457229652 /nfs/dbraw/zinc/22/96/52/457229652.db2.gz YPDPXXQJMPNWFF-LLVKDONJSA-N 0 0 345.302 3.014 10 5 EGBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn(C)n1 ZINC000347158245 457261489 /nfs/dbraw/zinc/26/14/89/457261489.db2.gz HAUFRBYHUGMNFX-UHFFFAOYSA-N 0 0 348.428 3.151 10 5 EGBERN COCCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347279904 457327540 /nfs/dbraw/zinc/32/75/40/457327540.db2.gz MXFMAIZYVPAVNB-UHFFFAOYSA-N 0 0 331.166 3.113 10 5 EGBERN COc1cccc(OC)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342486744 457330394 /nfs/dbraw/zinc/33/03/94/457330394.db2.gz LHCATPMQFGNEEH-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN COc1c(C(=O)N2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000357156836 457350740 /nfs/dbraw/zinc/35/07/40/457350740.db2.gz ZDLONCOFRXESEZ-SECBINFHSA-N 0 0 332.278 3.018 10 5 EGBERN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000352433701 457363988 /nfs/dbraw/zinc/36/39/88/457363988.db2.gz PZBFLVWCEUKZTI-OAHLLOKOSA-N 0 0 330.388 3.154 10 5 EGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000360870440 457395816 /nfs/dbraw/zinc/39/58/16/457395816.db2.gz HCKMCCQDYHALAT-GXFFZTMASA-N 0 0 346.305 3.163 10 5 EGBERN Cc1noc(COc2ccc(Oc3nc(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000360872649 457397675 /nfs/dbraw/zinc/39/76/75/457397675.db2.gz PJQSKNMFEQNEFK-UHFFFAOYSA-N 0 0 342.311 3.361 10 5 EGBERN O=C(NCC1(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347419296 457416623 /nfs/dbraw/zinc/41/66/23/457416623.db2.gz LFTGLXJKZGNADR-UHFFFAOYSA-N 0 0 343.305 3.005 10 5 EGBERN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1[C@@H](C)C1CC1 ZINC000342651193 457428891 /nfs/dbraw/zinc/42/88/91/457428891.db2.gz XWYDRWMSAYWDAR-LBPRGKRZSA-N 0 0 328.372 3.053 10 5 EGBERN CNc1c(C(=O)N2CCO[C@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000360919542 457432598 /nfs/dbraw/zinc/43/25/98/457432598.db2.gz QSUVTGHUCWLJKC-INIZCTEOSA-N 0 0 347.415 3.058 10 5 EGBERN CN1CCOc2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)cc21 ZINC000342822880 457541993 /nfs/dbraw/zinc/54/19/93/457541993.db2.gz FRHJSYIRCRYEEG-UHFFFAOYSA-N 0 0 343.368 3.172 10 5 EGBERN CCOc1ccccc1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000342861878 457563758 /nfs/dbraw/zinc/56/37/58/457563758.db2.gz OSALLFCSSJIXAJ-ZDUSSCGKSA-N 0 0 344.367 3.250 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000352736398 457568926 /nfs/dbraw/zinc/56/89/26/457568926.db2.gz RCUCVXFZJLWTIT-UHFFFAOYSA-N 0 0 338.429 3.104 10 5 EGBERN Cn1cncc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000357606279 457618264 /nfs/dbraw/zinc/61/82/64/457618264.db2.gz MNNPCVBSUDCCIE-UHFFFAOYSA-N 0 0 336.351 3.171 10 5 EGBERN CC[C@H](CC(F)F)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000410431356 457641304 /nfs/dbraw/zinc/64/13/04/457641304.db2.gz FDXSYQWWUPNNAR-SNVBAGLBSA-N 0 0 338.314 3.400 10 5 EGBERN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000361249358 457665964 /nfs/dbraw/zinc/66/59/64/457665964.db2.gz FRAZDVJBZIXRDQ-HNNXBMFYSA-N 0 0 333.413 3.329 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000370724312 457706708 /nfs/dbraw/zinc/70/67/08/457706708.db2.gz KOPIBAMEHXMZLT-OAHLLOKOSA-N 0 0 327.384 3.063 10 5 EGBERN COc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000370723814 457706966 /nfs/dbraw/zinc/70/69/66/457706966.db2.gz WSSWYWKMJRTYBR-MRXNPFEDSA-N 0 0 327.384 3.063 10 5 EGBERN Cc1ccncc1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000357839389 457707683 /nfs/dbraw/zinc/70/76/83/457707683.db2.gz XYPPGJGHRUAXRC-CYBMUJFWSA-N 0 0 345.424 3.437 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3nc(C)sc32)c1 ZINC000374818371 457712724 /nfs/dbraw/zinc/71/27/24/457712724.db2.gz KNWUBDXZVPPQCP-ZDUSSCGKSA-N 0 0 347.396 3.176 10 5 EGBERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000374839330 457717983 /nfs/dbraw/zinc/71/79/83/457717983.db2.gz CHVJESAMEBWYQR-AWEZNQCLSA-N 0 0 330.344 3.044 10 5 EGBERN C[C@@H]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358024898 457743399 /nfs/dbraw/zinc/74/33/99/457743399.db2.gz IQZLYQHPAJVHTK-ZJUUUORDSA-N 0 0 328.315 3.362 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cn(C)nc1C(C)(C)C ZINC000426267604 457798967 /nfs/dbraw/zinc/79/89/67/457798967.db2.gz PMVYSXJOHMCNHD-NSHDSACASA-N 0 0 342.399 3.217 10 5 EGBERN COc1cc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc([N+](=O)[O-])c1C ZINC000411118912 457806429 /nfs/dbraw/zinc/80/64/29/457806429.db2.gz VLOMNLJARXYNRF-UHFFFAOYSA-N 0 0 344.289 3.079 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1[N+](=O)[O-] ZINC000457786906 457829222 /nfs/dbraw/zinc/82/92/22/457829222.db2.gz NBDSNZLUNGJPOT-CYZMBNFOSA-N 0 0 330.384 3.446 10 5 EGBERN O=C(CCN(CC(F)F)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411410736 457878861 /nfs/dbraw/zinc/87/88/61/457878861.db2.gz DSLSBKOUKHKCEK-UHFFFAOYSA-N 0 0 341.358 3.291 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC(F)F)cn1 ZINC000361845131 457903782 /nfs/dbraw/zinc/90/37/82/457903782.db2.gz YTUAPGVPFPRXIO-SECBINFHSA-N 0 0 349.293 3.183 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411581585 457923453 /nfs/dbraw/zinc/92/34/53/457923453.db2.gz JAJKSSCUFKAKBW-FUHWJXTLSA-N 0 0 328.343 3.138 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000375450736 457936467 /nfs/dbraw/zinc/93/64/67/457936467.db2.gz CTCDPDCLOVBXLE-OAHLLOKOSA-N 0 0 344.415 3.488 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCC(C(F)F)CC1 ZINC000458178163 457957267 /nfs/dbraw/zinc/95/72/67/457957267.db2.gz JHAKIWGLCLJEED-UHFFFAOYSA-N 0 0 326.343 3.468 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCC2(CC2)CC1 ZINC000434336591 457978373 /nfs/dbraw/zinc/97/83/73/457978373.db2.gz ZUHWKWOIMMXGMY-UHFFFAOYSA-N 0 0 332.404 3.029 10 5 EGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000361968697 457984738 /nfs/dbraw/zinc/98/47/38/457984738.db2.gz ONWSPVLFYMBZDA-UHFFFAOYSA-N 0 0 329.331 3.149 10 5 EGBERN CCc1onc(C)c1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000358426527 457997762 /nfs/dbraw/zinc/99/77/62/457997762.db2.gz MXOJFCTZTJFKMK-UHFFFAOYSA-N 0 0 343.343 3.158 10 5 EGBERN C[C@H](CC1CC1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445008138 458004854 /nfs/dbraw/zinc/00/48/54/458004854.db2.gz PTOJZUGLFLJDPQ-ZCFIWIBFSA-N 0 0 333.207 3.337 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000445500205 458056621 /nfs/dbraw/zinc/05/66/21/458056621.db2.gz COGDPEWJAUYRMF-IBGZPJMESA-N 0 0 339.395 3.468 10 5 EGBERN C[C@]1(c2ccccc2)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000445504407 458057203 /nfs/dbraw/zinc/05/72/03/458057203.db2.gz PKEBEUJIZVFJPZ-IBGZPJMESA-N 0 0 339.395 3.468 10 5 EGBERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000369122614 458091273 /nfs/dbraw/zinc/09/12/73/458091273.db2.gz SERPVSOUOFSNKW-INIZCTEOSA-N 0 0 336.294 3.346 10 5 EGBERN CCc1noc(C)c1-c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000445810120 458092096 /nfs/dbraw/zinc/09/20/96/458092096.db2.gz JQMLQYNRHXSPKE-UHFFFAOYSA-N 0 0 328.328 3.403 10 5 EGBERN CC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000412118555 458098385 /nfs/dbraw/zinc/09/83/85/458098385.db2.gz JFBDJEAJPZBKME-UHFFFAOYSA-N 0 0 349.368 3.293 10 5 EGBERN CN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349272 458120533 /nfs/dbraw/zinc/12/05/33/458120533.db2.gz TZHYGAXYRRUXOZ-AWEZNQCLSA-N 0 0 331.347 3.411 10 5 EGBERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446614376 458204824 /nfs/dbraw/zinc/20/48/24/458204824.db2.gz ZPQZWTFHIGWVQU-UTLUCORTSA-N 0 0 346.305 3.252 10 5 EGBERN COc1cccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435810210 458209033 /nfs/dbraw/zinc/20/90/33/458209033.db2.gz RMEXTFWTEISIPG-LJQANCHMSA-N 0 0 340.379 3.407 10 5 EGBERN COc1cccc(C(=O)NC2(c3nc(C)cs3)CCC2)c1[N+](=O)[O-] ZINC000435877049 458216496 /nfs/dbraw/zinc/21/64/96/458216496.db2.gz MXFTWHBXBSWUKQ-UHFFFAOYSA-N 0 0 347.396 3.178 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362499040 458220652 /nfs/dbraw/zinc/22/06/52/458220652.db2.gz NPBLKZRJUJVGEO-SECBINFHSA-N 0 0 342.380 3.399 10 5 EGBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000446980929 458254344 /nfs/dbraw/zinc/25/43/44/458254344.db2.gz VFQVQDWGLNEDTC-CYBMUJFWSA-N 0 0 344.415 3.453 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)n[nH]2)c(F)c1 ZINC000436425575 458303325 /nfs/dbraw/zinc/30/33/25/458303325.db2.gz RGUIKCOGRIOOBU-UHFFFAOYSA-N 0 0 327.319 3.174 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](Cc3ccncc3)C2)s1 ZINC000376456581 458305983 /nfs/dbraw/zinc/30/59/83/458305983.db2.gz WDQJQFJBKOGBKY-GFCCVEGCSA-N 0 0 341.396 3.064 10 5 EGBERN CSC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000447620194 458322986 /nfs/dbraw/zinc/32/29/86/458322986.db2.gz IWXNBMMIDVKDPU-UHFFFAOYSA-N 0 0 334.319 3.239 10 5 EGBERN Cc1nc2c(s1)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CCC2 ZINC000376614531 458354500 /nfs/dbraw/zinc/35/45/00/458354500.db2.gz IEOQWNBUNKUAOI-LBPRGKRZSA-N 0 0 346.412 3.058 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COc1cc2cnccc2nc1C ZINC000429788667 458371270 /nfs/dbraw/zinc/37/12/70/458371270.db2.gz JYYBVMXJYZTMDC-UHFFFAOYSA-N 0 0 325.324 3.434 10 5 EGBERN Cc1ccc(C)c(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000430210249 458421912 /nfs/dbraw/zinc/42/19/12/458421912.db2.gz UHGDUSQJXODRHV-UHFFFAOYSA-N 0 0 331.347 3.205 10 5 EGBERN O=C(N[C@H]1CC12CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430224630 458424460 /nfs/dbraw/zinc/42/44/60/458424460.db2.gz ZCQKQDCODVNLME-KRWDZBQOSA-N 0 0 343.427 3.260 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000430250806 458428877 /nfs/dbraw/zinc/42/88/77/458428877.db2.gz MTAMCGYJGRUMDO-GFCCVEGCSA-N 0 0 326.299 3.259 10 5 EGBERN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000423483933 458441278 /nfs/dbraw/zinc/44/12/78/458441278.db2.gz QJNRIPDCZSAYIL-RISCZKNCSA-N 0 0 345.415 3.052 10 5 EGBERN CC1=C[C@@H](C)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430874726 458499867 /nfs/dbraw/zinc/49/98/67/458499867.db2.gz GTGHSZKEOLKZMG-CYBMUJFWSA-N 0 0 326.400 3.393 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C(C)C ZINC000460170575 458503384 /nfs/dbraw/zinc/50/33/84/458503384.db2.gz RMUMGINOGZTORC-OAHLLOKOSA-N 0 0 329.404 3.498 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438154659 458542624 /nfs/dbraw/zinc/54/26/24/458542624.db2.gz LXQOIEDVFAGDTN-HFBDOXOYSA-N 0 0 332.381 3.339 10 5 EGBERN Cc1c(NC(=O)Cc2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000431271126 458548835 /nfs/dbraw/zinc/54/88/35/458548835.db2.gz WGWMGNJTCFSUCT-UHFFFAOYSA-N 0 0 339.145 3.440 10 5 EGBERN Cc1noc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000438339552 458566180 /nfs/dbraw/zinc/56/61/80/458566180.db2.gz SUCAIADHIQKGRU-UHFFFAOYSA-N 0 0 329.234 3.471 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cn(C)nc1C(C)C ZINC000431437208 458573936 /nfs/dbraw/zinc/57/39/36/458573936.db2.gz XZMLFBABJGTKJR-UHFFFAOYSA-N 0 0 333.348 3.104 10 5 EGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000438497839 458587053 /nfs/dbraw/zinc/58/70/53/458587053.db2.gz LNCZPJDVBVTWIK-SFHVURJKSA-N 0 0 346.383 3.402 10 5 EGBERN CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813650 458611607 /nfs/dbraw/zinc/61/16/07/458611607.db2.gz UWUDBSMCVHJSMG-HOCLYGCPSA-N 0 0 340.807 3.018 10 5 EGBERN C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000438843378 458620522 /nfs/dbraw/zinc/62/05/22/458620522.db2.gz VONPGASFOQNZSZ-CWRNSKLLSA-N 0 0 347.415 3.114 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000438933567 458630921 /nfs/dbraw/zinc/63/09/21/458630921.db2.gz FAVHCWUSRHSOQG-WDEREUQCSA-N 0 0 326.780 3.102 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470933330 458667019 /nfs/dbraw/zinc/66/70/19/458667019.db2.gz RGMABJPRDAWWFY-ZYHUDNBSSA-N 0 0 345.321 3.114 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471740958 458722611 /nfs/dbraw/zinc/72/26/11/458722611.db2.gz ZCPAWTJYMBNVSJ-GWCFXTLKSA-N 0 0 345.321 3.120 10 5 EGBERN CN1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000456592439 458724165 /nfs/dbraw/zinc/72/41/65/458724165.db2.gz HPQQTTALBCFBNP-ZDUSSCGKSA-N 0 0 331.397 3.357 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000494693453 458730523 /nfs/dbraw/zinc/73/05/23/458730523.db2.gz XSUGRHSVYVLGTC-SNVBAGLBSA-N 0 0 348.330 3.242 10 5 EGBERN Cc1nc([C@](C)(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000432459786 458743593 /nfs/dbraw/zinc/74/35/93/458743593.db2.gz KGAIXFKUSCAHLY-MRXNPFEDSA-N 0 0 345.359 3.042 10 5 EGBERN COC(=O)c1cc(N(C)Cc2cccc(O)c2)cc(C)c1[N+](=O)[O-] ZINC000530326969 458748155 /nfs/dbraw/zinc/74/81/55/458748155.db2.gz ATTQSIGQMIYHRI-UHFFFAOYSA-N 0 0 330.340 3.032 10 5 EGBERN COc1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000473427521 458827983 /nfs/dbraw/zinc/82/79/83/458827983.db2.gz KBABBYDMTULSAE-UPJWGTAASA-N 0 0 335.404 3.179 10 5 EGBERN Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000518696473 458885409 /nfs/dbraw/zinc/88/54/09/458885409.db2.gz ZHZLSXDQGYNMLT-UHFFFAOYSA-N 0 0 325.368 3.275 10 5 EGBERN CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466903614 458931390 /nfs/dbraw/zinc/93/13/90/458931390.db2.gz XRUFGIQIVCWCNU-KOLCDFICSA-N 0 0 346.836 3.366 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)Cc1ccco1 ZINC000531887593 458994848 /nfs/dbraw/zinc/99/48/48/458994848.db2.gz PBFPHXZSULCESW-UHFFFAOYSA-N 0 0 327.296 3.018 10 5 EGBERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531886575 458995361 /nfs/dbraw/zinc/99/53/61/458995361.db2.gz CSOKBWGJMSGXTI-INIZCTEOSA-N 0 0 331.347 3.126 10 5 EGBERN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000532138926 459035944 /nfs/dbraw/zinc/03/59/44/459035944.db2.gz DHZUVIFUPPKEFO-CABCVRRESA-N 0 0 335.404 3.046 10 5 EGBERN CC(C)c1noc(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC000520400860 459055821 /nfs/dbraw/zinc/05/58/21/459055821.db2.gz XAPFTIKIDOUGPQ-UHFFFAOYSA-N 0 0 345.403 3.420 10 5 EGBERN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000478001306 459070591 /nfs/dbraw/zinc/07/05/91/459070591.db2.gz VBKMNUYOUYRMPR-GOEBONIOSA-N 0 0 347.415 3.246 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594520833 459077474 /nfs/dbraw/zinc/07/74/74/459077474.db2.gz PYIRADVZLSKWCE-UONOGXRCSA-N 0 0 332.322 3.493 10 5 EGBERN COC(=O)c1cc(N2CCC[C@H]2c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000532392098 459079473 /nfs/dbraw/zinc/07/94/73/459079473.db2.gz LNWFCNPTUFFPHO-INIZCTEOSA-N 0 0 341.367 3.426 10 5 EGBERN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000532396054 459080488 /nfs/dbraw/zinc/08/04/88/459080488.db2.gz QSIBWQMLKCNTOZ-LSDHHAIUSA-N 0 0 335.404 3.046 10 5 EGBERN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000532397719 459081020 /nfs/dbraw/zinc/08/10/20/459081020.db2.gz DCRUTWBCAGFVCL-LBPRGKRZSA-N 0 0 333.344 3.096 10 5 EGBERN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397734 459081027 /nfs/dbraw/zinc/08/10/27/459081027.db2.gz HCSLLCJSFUSOFV-UHFFFAOYSA-N 0 0 341.245 3.183 10 5 EGBERN COc1cc(OCc2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)ccc1[N+](=O)[O-] ZINC000594534885 459082286 /nfs/dbraw/zinc/08/22/86/459082286.db2.gz DPYQZJLVIGHAHE-RTXFEEFZSA-N 0 0 345.355 3.469 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594538847 459084491 /nfs/dbraw/zinc/08/44/91/459084491.db2.gz VQCOHRDKTUZGBD-LSDHHAIUSA-N 0 0 337.351 3.203 10 5 EGBERN CC(C)Oc1nc(N2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000594574644 459095455 /nfs/dbraw/zinc/09/54/55/459095455.db2.gz GXNLUNCLCBSYRY-HNNXBMFYSA-N 0 0 342.399 3.241 10 5 EGBERN Nc1c(F)c(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594601101 459106321 /nfs/dbraw/zinc/10/63/21/459106321.db2.gz JDOOKJCCMIJTOX-OIBJUYFYSA-N 0 0 337.273 3.228 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000567553932 459122114 /nfs/dbraw/zinc/12/21/14/459122114.db2.gz MHXBIFQJFBQCMB-CABCVRRESA-N 0 0 331.416 3.496 10 5 EGBERN Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000521164003 459124620 /nfs/dbraw/zinc/12/46/20/459124620.db2.gz JBGKYFRYEHZBFC-YVEFUNNKSA-N 0 0 346.408 3.115 10 5 EGBERN Cc1ccc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000590401666 459124821 /nfs/dbraw/zinc/12/48/21/459124821.db2.gz NHSOKHGCVSOZSO-HNNXBMFYSA-N 0 0 325.368 3.318 10 5 EGBERN CNc1c(C(=O)N2CC(F)(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000590443310 459132487 /nfs/dbraw/zinc/13/24/87/459132487.db2.gz KEMGRGXJHBENKF-UHFFFAOYSA-N 0 0 347.321 3.096 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000521323448 459140968 /nfs/dbraw/zinc/14/09/68/459140968.db2.gz SEILVCAAFBOMFT-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN COc1cc(NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])cc1C ZINC000590573577 459152461 /nfs/dbraw/zinc/15/24/61/459152461.db2.gz CYSWTMIPFDQXQW-UHFFFAOYSA-N 0 0 326.356 3.480 10 5 EGBERN COC(=O)c1c(Cl)c(S[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000590583587 459153751 /nfs/dbraw/zinc/15/37/51/459153751.db2.gz ZJQIIPLUKCJQAS-CBAPKCEASA-N 0 0 331.777 3.304 10 5 EGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000521615703 459167032 /nfs/dbraw/zinc/16/70/32/459167032.db2.gz NZHDDEHNWGBCHT-IRXDYDNUSA-N 0 0 338.363 3.296 10 5 EGBERN C[C@@]1(F)CNCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000567848609 459177436 /nfs/dbraw/zinc/17/74/36/459177436.db2.gz SCXTWZWRDGKWFG-HXUWFJFHSA-N 0 0 337.398 3.162 10 5 EGBERN C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957414 459191965 /nfs/dbraw/zinc/19/19/65/459191965.db2.gz OIJJNVQTRXHBNQ-RISCZKNCSA-N 0 0 339.355 3.242 10 5 EGBERN CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000558706016 459200945 /nfs/dbraw/zinc/20/09/45/459200945.db2.gz ISRNPXXHPYKZPN-UHFFFAOYSA-N 0 0 333.310 3.025 10 5 EGBERN Cc1ccc(CNc2cccc3c2CCN(C)C3=O)cc1[N+](=O)[O-] ZINC000594980837 459203971 /nfs/dbraw/zinc/20/39/71/459203971.db2.gz UDGHMMAQCQTUHF-UHFFFAOYSA-N 0 0 325.368 3.143 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCC(OC(F)F)CC1 ZINC000590800332 459225240 /nfs/dbraw/zinc/22/52/40/459225240.db2.gz ALCPZBOIDHWLRJ-UHFFFAOYSA-N 0 0 347.293 3.406 10 5 EGBERN Cc1cc(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000590825602 459234727 /nfs/dbraw/zinc/23/47/27/459234727.db2.gz LULQMCYVIAEROW-GXTWGEPZSA-N 0 0 325.315 3.412 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1c(C2CCC2)cnn1C ZINC000595097472 459244808 /nfs/dbraw/zinc/24/48/08/459244808.db2.gz IRRPATNKNFNLBL-GFCCVEGCSA-N 0 0 344.415 3.455 10 5 EGBERN C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000559349943 459254764 /nfs/dbraw/zinc/25/47/64/459254764.db2.gz VLEIGEYUROQPTI-IUCAKERBSA-N 0 0 346.168 3.040 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000559998328 459290003 /nfs/dbraw/zinc/29/00/03/459290003.db2.gz RSQNFCWIJZLWGZ-UHFFFAOYSA-N 0 0 343.383 3.401 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2ccco2)CC1 ZINC000595445584 459304579 /nfs/dbraw/zinc/30/45/79/459304579.db2.gz DUWWPPPGVJJBOJ-UHFFFAOYSA-N 0 0 329.356 3.277 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000595448103 459305860 /nfs/dbraw/zinc/30/58/60/459305860.db2.gz RSPBLZXFRNXCDO-KOMQPUFPSA-N 0 0 341.367 3.004 10 5 EGBERN C[C@H]1CC(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H](C)O1 ZINC000582208980 459326109 /nfs/dbraw/zinc/32/61/09/459326109.db2.gz WEQPKEAEFJJWDD-IUCAKERBSA-N 0 0 346.305 3.299 10 5 EGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ccccn1 ZINC000524272209 459354579 /nfs/dbraw/zinc/35/45/79/459354579.db2.gz RDSSVLVVDWYHBX-QGZVFWFLSA-N 0 0 336.351 3.448 10 5 EGBERN CNc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000524694939 459380749 /nfs/dbraw/zinc/38/07/49/459380749.db2.gz JFXPIODZYDCUAD-PIGZYNQJSA-N 0 0 325.368 3.300 10 5 EGBERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000524708180 459381339 /nfs/dbraw/zinc/38/13/39/459381339.db2.gz CWGWAGFRLQNHLF-BXUZGUMPSA-N 0 0 331.372 3.448 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cscn1 ZINC000595669540 459388922 /nfs/dbraw/zinc/38/89/22/459388922.db2.gz WITZUPLRLTYLFK-LLVKDONJSA-N 0 0 334.401 3.039 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000591482768 459390433 /nfs/dbraw/zinc/39/04/33/459390433.db2.gz CFYPZFJVZQZLKJ-ZDUSSCGKSA-N 0 0 333.388 3.123 10 5 EGBERN CCn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])nc1 ZINC000582629313 459398315 /nfs/dbraw/zinc/39/83/15/459398315.db2.gz MHIFMNRHYGXSFC-UHFFFAOYSA-N 0 0 341.396 3.343 10 5 EGBERN O=[N+]([O-])c1cccc(OCCN2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000595760348 459429583 /nfs/dbraw/zinc/42/95/83/459429583.db2.gz QLFSLBNMEWFGJK-GOSISDBHSA-N 0 0 346.358 3.186 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595831582 459458338 /nfs/dbraw/zinc/45/83/38/459458338.db2.gz FZMUECPEXGIFES-HNNXBMFYSA-N 0 0 331.416 3.354 10 5 EGBERN COc1cc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595890474 459477070 /nfs/dbraw/zinc/47/70/70/459477070.db2.gz MOWJPNDLATXTPV-PWSUYJOCSA-N 0 0 348.321 3.145 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000485902206 459477218 /nfs/dbraw/zinc/47/72/18/459477218.db2.gz AWCAMVRNCVMERJ-LPHOPBHVSA-N 0 0 340.379 3.372 10 5 EGBERN CCOc1cc(CN2CCO[C@@H](C)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000595895227 459479239 /nfs/dbraw/zinc/47/92/39/459479239.db2.gz GCRIPVAEJLPNEE-HZMBPMFUSA-N 0 0 348.321 3.145 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@](C)(C(F)F)C1 ZINC000595914754 459484266 /nfs/dbraw/zinc/48/42/66/459484266.db2.gz FWYWOJHUDMJKNE-INIZCTEOSA-N 0 0 344.358 3.238 10 5 EGBERN COc1cccc([N+](=O)[O-])c1NCc1cnn(Cc2ccccc2)c1 ZINC000561880671 459489168 /nfs/dbraw/zinc/48/91/68/459489168.db2.gz RYTXVYHWJPORED-UHFFFAOYSA-N 0 0 338.367 3.460 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCc2n[nH]cc2C1 ZINC000596011439 459496217 /nfs/dbraw/zinc/49/62/17/459496217.db2.gz ZWULYOLKXFXIAH-UHFFFAOYSA-N 0 0 342.380 3.121 10 5 EGBERN C[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000591963144 459499467 /nfs/dbraw/zinc/49/94/67/459499467.db2.gz OZMXVIJBGRLPIA-VIFPVBQESA-N 0 0 349.765 3.381 10 5 EGBERN C[S@](=O)Cc1cccc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000583200376 459499698 /nfs/dbraw/zinc/49/96/98/459499698.db2.gz IOGWMJKZNQJXFV-DEOSSOPVSA-N 0 0 345.424 3.491 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000591971617 459500988 /nfs/dbraw/zinc/50/09/88/459500988.db2.gz JXEMZDUXGMNFHY-OLZOCXBDSA-N 0 0 337.383 3.426 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000596055411 459504159 /nfs/dbraw/zinc/50/41/59/459504159.db2.gz JIEODNJPTLUDND-UHFFFAOYSA-N 0 0 349.774 3.109 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@]1(O)CCOC1 ZINC000591988994 459506268 /nfs/dbraw/zinc/50/62/68/459506268.db2.gz YNEXZQNLSPPKAC-CQSZACIVSA-N 0 0 348.321 3.203 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C2CCCCC2)C1=O ZINC000562065391 459509051 /nfs/dbraw/zinc/50/90/51/459509051.db2.gz FUKDTHVKAUHKCV-NHYWBVRUSA-N 0 0 331.372 3.157 10 5 EGBERN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048017 459523370 /nfs/dbraw/zinc/52/33/70/459523370.db2.gz WNLWWNREYJWOQG-GFCCVEGCSA-N 0 0 347.793 3.410 10 5 EGBERN COc1cc(N2CCC[C@H](c3ncc[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596109273 459524244 /nfs/dbraw/zinc/52/42/44/459524244.db2.gz USBUZLRDRCAACY-JTQLQIEISA-N 0 0 336.779 3.364 10 5 EGBERN O=C1NCCC[C@H]1Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000486999001 459525110 /nfs/dbraw/zinc/52/51/10/459525110.db2.gz OYIRMCSVYNBUAP-MRXNPFEDSA-N 0 0 348.431 3.406 10 5 EGBERN CC(C)C(C)(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272411 459526717 /nfs/dbraw/zinc/52/67/17/459526717.db2.gz HUJNNNHKDGOEFQ-UHFFFAOYSA-N 0 0 332.404 3.352 10 5 EGBERN COc1cc(NCC(=O)NC2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596114439 459526952 /nfs/dbraw/zinc/52/69/52/459526952.db2.gz CIEPFPDBCJFBOK-UHFFFAOYSA-N 0 0 341.795 3.118 10 5 EGBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@H](C)O1 ZINC000596120826 459528249 /nfs/dbraw/zinc/52/82/49/459528249.db2.gz TWMRWHUMBLBMJJ-UWVGGRQHSA-N 0 0 342.779 3.039 10 5 EGBERN O=[N+]([O-])c1ccccc1CN(Cc1cccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592131046 459531025 /nfs/dbraw/zinc/53/10/25/459531025.db2.gz RRYCNDUYJNPZSO-IYARVYRRSA-N 0 0 341.411 3.296 10 5 EGBERN COc1cc(NCCCOC2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596146393 459537660 /nfs/dbraw/zinc/53/76/60/459537660.db2.gz MDMGQKIIPPGOEN-UHFFFAOYSA-N 0 0 344.795 3.254 10 5 EGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000596156473 459541616 /nfs/dbraw/zinc/54/16/16/459541616.db2.gz HWULZPVFCUDTMQ-MRVPVSSYSA-N 0 0 330.793 3.342 10 5 EGBERN COc1cc(N(C)CCc2nccs2)c(Cl)cc1[N+](=O)[O-] ZINC000596172926 459548511 /nfs/dbraw/zinc/54/85/11/459548511.db2.gz OLAJWDONMXNZAL-UHFFFAOYSA-N 0 0 327.793 3.392 10 5 EGBERN COc1cc(N2CCOc3ncccc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198876 459559085 /nfs/dbraw/zinc/55/90/85/459559085.db2.gz MXISVXTVCBGJRK-UHFFFAOYSA-N 0 0 335.747 3.051 10 5 EGBERN COC(=O)c1c(Cl)c(N(C)Cc2cnccc2C)ccc1[N+](=O)[O-] ZINC000596218085 459563698 /nfs/dbraw/zinc/56/36/98/459563698.db2.gz UCCRSYPYHZBQCL-UHFFFAOYSA-N 0 0 349.774 3.375 10 5 EGBERN COCC1(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCC1 ZINC000596225902 459567295 /nfs/dbraw/zinc/56/72/95/459567295.db2.gz GXBQTEXHCPEBGP-UHFFFAOYSA-N 0 0 342.779 3.263 10 5 EGBERN CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000596236795 459570241 /nfs/dbraw/zinc/57/02/41/459570241.db2.gz RCDORHGYLOORBM-LBPRGKRZSA-N 0 0 344.433 3.049 10 5 EGBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])s1 ZINC000596248579 459573912 /nfs/dbraw/zinc/57/39/12/459573912.db2.gz JGVJFURJLMYSFJ-BBRMVZONSA-N 0 0 336.388 3.269 10 5 EGBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596259307 459577814 /nfs/dbraw/zinc/57/78/14/459577814.db2.gz XMFCCZXUWIHFPF-SECBINFHSA-N 0 0 337.367 3.285 10 5 EGBERN CC(C)Oc1nc(N2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000572855878 459587778 /nfs/dbraw/zinc/58/77/78/459587778.db2.gz PZVPABYOKSWFHQ-CQSZACIVSA-N 0 0 335.404 3.172 10 5 EGBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H]1CCOC1 ZINC000596318713 459594221 /nfs/dbraw/zinc/59/42/21/459594221.db2.gz QCHMPNBPQVIDBS-BLLLJJGKSA-N 0 0 338.404 3.236 10 5 EGBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000596317628 459594501 /nfs/dbraw/zinc/59/45/01/459594501.db2.gz YUUDCHZMJQYNKC-LBPRGKRZSA-N 0 0 332.791 3.004 10 5 EGBERN Cc1cc(N[C@H](CO)C2CCC2)c(Br)cc1[N+](=O)[O-] ZINC000596323355 459596104 /nfs/dbraw/zinc/59/61/04/459596104.db2.gz JSFGARMBRQRMBO-GFCCVEGCSA-N 0 0 329.194 3.239 10 5 EGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596369146 459611048 /nfs/dbraw/zinc/61/10/48/459611048.db2.gz OAQZEBVHBLWIKS-SUHUHFCYSA-N 0 0 328.796 3.226 10 5 EGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596369144 459611146 /nfs/dbraw/zinc/61/11/46/459611146.db2.gz OAQZEBVHBLWIKS-QKCSRTOESA-N 0 0 328.796 3.226 10 5 EGBERN C[C@H](C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000573096843 459626232 /nfs/dbraw/zinc/62/62/32/459626232.db2.gz CECUPOBHWDCUIP-CQSZACIVSA-N 0 0 328.368 3.318 10 5 EGBERN C[C@@]1(C2CC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596448027 459639644 /nfs/dbraw/zinc/63/96/44/459639644.db2.gz YGXBFTVSHOXIRA-HNNXBMFYSA-N 0 0 339.779 3.281 10 5 EGBERN Cc1ccc([C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543253247 459639998 /nfs/dbraw/zinc/63/99/98/459639998.db2.gz HOCBNDHZHXJTDK-INIZCTEOSA-N 0 0 340.379 3.298 10 5 EGBERN CC[C@H](NC(=O)N1CC2(CCC2)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596451802 459641490 /nfs/dbraw/zinc/64/14/90/459641490.db2.gz BSNAOHYWOPOODL-CJNGLKHVSA-N 0 0 347.415 3.399 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@](O)(C3CC3)C2)cc1C(F)(F)F ZINC000596460744 459644116 /nfs/dbraw/zinc/64/41/16/459644116.db2.gz ANVGZJDAQJWVDM-CQSZACIVSA-N 0 0 330.306 3.355 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@](O)(C2CC2)C1 ZINC000596461488 459645126 /nfs/dbraw/zinc/64/51/26/459645126.db2.gz FIDLOKFLOAOHEN-CQSZACIVSA-N 0 0 341.205 3.099 10 5 EGBERN Cc1c(Br)cc(C(=O)N2[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000527471733 459645986 /nfs/dbraw/zinc/64/59/86/459645986.db2.gz OHWCOQGTBFPDEO-YUMQZZPRSA-N 0 0 327.178 3.289 10 5 EGBERN COc1cc(NCc2c(C3CC3)cnn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596474204 459649315 /nfs/dbraw/zinc/64/93/15/459649315.db2.gz WYTCZDXKRYIQOS-UHFFFAOYSA-N 0 0 336.779 3.480 10 5 EGBERN CCOC(=O)c1ccnc(NCC[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000596475949 459650444 /nfs/dbraw/zinc/65/04/44/459650444.db2.gz NSCBTBFLWHWKOY-ZDUSSCGKSA-N 0 0 329.303 3.014 10 5 EGBERN COc1cccc([C@@]2(C)CCN(c3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000596481541 459651195 /nfs/dbraw/zinc/65/11/95/459651195.db2.gz CCEVZIPBIJLSCB-SFHVURJKSA-N 0 0 327.384 3.475 10 5 EGBERN COc1cccc([C@]2(C)CCN(c3nccc(C)c3[N+](=O)[O-])C2)c1 ZINC000596482548 459651852 /nfs/dbraw/zinc/65/18/52/459651852.db2.gz LTPVULQKPLZCEZ-GOSISDBHSA-N 0 0 327.384 3.475 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC([C@H]4CCCCO4)CC3)nc2c1 ZINC000596496998 459656725 /nfs/dbraw/zinc/65/67/25/459656725.db2.gz IWUYMEQQZILNDP-MRXNPFEDSA-N 0 0 330.388 3.257 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000596498571 459657315 /nfs/dbraw/zinc/65/73/15/459657315.db2.gz FMYJVLNITJOFOH-XLKFXECMSA-N 0 0 347.293 3.010 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC000596515550 459662563 /nfs/dbraw/zinc/66/25/63/459662563.db2.gz ZKKKYQLBDQHRMQ-CABCVRRESA-N 0 0 347.415 3.232 10 5 EGBERN CCc1nn(C)c(NCCc2nsc3ccccc32)c1[N+](=O)[O-] ZINC000596526055 459665632 /nfs/dbraw/zinc/66/56/32/459665632.db2.gz PRBQPDDRQVSLJL-UHFFFAOYSA-N 0 0 331.401 3.155 10 5 EGBERN CCOc1cc(NCC2(O)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000596528048 459666632 /nfs/dbraw/zinc/66/66/32/459666632.db2.gz MOWOQVQHBRHTIQ-UHFFFAOYSA-N 0 0 330.331 3.346 10 5 EGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000592697148 459669905 /nfs/dbraw/zinc/66/99/05/459669905.db2.gz PMEGEYHCSUXZPV-AOOOYVTPSA-N 0 0 326.780 3.324 10 5 EGBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)[C@]1(O)CCCOC1 ZINC000596536357 459669916 /nfs/dbraw/zinc/66/99/16/459669916.db2.gz VYVPEHLYSATWMT-SFHVURJKSA-N 0 0 345.399 3.123 10 5 EGBERN C[C@@H](O)[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596543089 459671274 /nfs/dbraw/zinc/67/12/74/459671274.db2.gz SWEXEKMXOJLMMM-AHIWAGSCSA-N 0 0 343.383 3.077 10 5 EGBERN CC1(C)OCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596544725 459672117 /nfs/dbraw/zinc/67/21/17/459672117.db2.gz PHBHPUGQFJXZDN-CYBMUJFWSA-N 0 0 347.415 3.058 10 5 EGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2cccc(Cl)c2)CCC1 ZINC000592721314 459676068 /nfs/dbraw/zinc/67/60/68/459676068.db2.gz PGYNMIAFYYPBMP-UHFFFAOYSA-N 0 0 348.790 3.030 10 5 EGBERN O=[N+]([O-])c1ccc2ccnc(N3CCO[C@H](CC(F)(F)F)C3)c2c1 ZINC000596558969 459676192 /nfs/dbraw/zinc/67/61/92/459676192.db2.gz VUOIVVBHUHPRPD-GFCCVEGCSA-N 0 0 341.289 3.301 10 5 EGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596559411 459677526 /nfs/dbraw/zinc/67/75/26/459677526.db2.gz YCOFOFNRSXTNOO-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000543640270 459679836 /nfs/dbraw/zinc/67/98/36/459679836.db2.gz BPCYXBJZZJFKCL-UHFFFAOYSA-N 0 0 329.331 3.365 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000596572013 459681080 /nfs/dbraw/zinc/68/10/80/459681080.db2.gz IZBLLLSCXHOGRU-PSLIRLAXSA-N 0 0 328.315 3.046 10 5 EGBERN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@](C)(C(F)F)O1 ZINC000596572514 459682243 /nfs/dbraw/zinc/68/22/43/459682243.db2.gz FGDFZCILORXBEM-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C(F)F)O1 ZINC000596573862 459682497 /nfs/dbraw/zinc/68/24/97/459682497.db2.gz YRNIGTOEVHOHCW-QFYYESIMSA-N 0 0 337.326 3.392 10 5 EGBERN CO[C@@H]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000596602455 459694689 /nfs/dbraw/zinc/69/46/89/459694689.db2.gz LUWMOAOZPGXHAE-GHMZBOCLSA-N 0 0 344.371 3.285 10 5 EGBERN COc1cc(C(=O)N2CC(C)(CC(F)F)C2)cc([N+](=O)[O-])c1C ZINC000592840226 459702716 /nfs/dbraw/zinc/70/27/16/459702716.db2.gz QTCJWGPKPRWEMW-UHFFFAOYSA-N 0 0 328.315 3.029 10 5 EGBERN COc1cc(-c2cc([N+](=O)[O-])ccc2CCO)cnc1C(F)(F)F ZINC000596647703 459713626 /nfs/dbraw/zinc/71/36/26/459713626.db2.gz VNQAXSDMUJLGTG-UHFFFAOYSA-N 0 0 342.273 3.219 10 5 EGBERN COC(=O)[C@@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)s1 ZINC000596647426 459714071 /nfs/dbraw/zinc/71/40/71/459714071.db2.gz KFCZVLVVTZBELR-JTQLQIEISA-N 0 0 335.381 3.135 10 5 EGBERN CC[C@@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(F)(F)F ZINC000593017012 459740943 /nfs/dbraw/zinc/74/09/43/459740943.db2.gz BKBKTPXJYVZWCA-CYBMUJFWSA-N 0 0 334.294 3.202 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCc3n[nH]cc32)n1 ZINC000574004425 459767147 /nfs/dbraw/zinc/76/71/47/459767147.db2.gz BTUOMHBMUVLSLE-GFCCVEGCSA-N 0 0 325.328 3.145 10 5 EGBERN CSc1cccnc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000593103142 459773642 /nfs/dbraw/zinc/77/36/42/459773642.db2.gz GYHJDHOXDMRHDW-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2sc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000584657257 459779784 /nfs/dbraw/zinc/77/97/84/459779784.db2.gz JHXPYZAZYUNIFH-UHFFFAOYSA-N 0 0 346.258 3.109 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@H](C)c2nc(C)no2)c1 ZINC000593187841 459801179 /nfs/dbraw/zinc/80/11/79/459801179.db2.gz UWMISHCAQBKZQW-MRVPVSSYSA-N 0 0 337.357 3.067 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CS[C@@H](C)c2cnc(C)cn2)c1 ZINC000593196655 459804222 /nfs/dbraw/zinc/80/42/22/459804222.db2.gz LXMCGSDPWQDCJD-NSHDSACASA-N 0 0 347.396 3.474 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC[C@H](OC)C2CC2)c1 ZINC000593196687 459804339 /nfs/dbraw/zinc/80/43/39/459804339.db2.gz BSSOMCQBTKHNLT-AWEZNQCLSA-N 0 0 325.386 3.040 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593206913 459807652 /nfs/dbraw/zinc/80/76/52/459807652.db2.gz DMRUJAIOKVJSQG-CQSZACIVSA-N 0 0 341.314 3.257 10 5 EGBERN CCOC(=O)C1CCC(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584841858 459812835 /nfs/dbraw/zinc/81/28/35/459812835.db2.gz SRPJUVVSDPSPTP-UHFFFAOYSA-N 0 0 348.399 3.317 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593239117 459816829 /nfs/dbraw/zinc/81/68/29/459816829.db2.gz AGXAFQBHNPTQRX-UHFFFAOYSA-N 0 0 346.280 3.410 10 5 EGBERN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593249435 459820162 /nfs/dbraw/zinc/82/01/62/459820162.db2.gz RQDXZTSDDYRWGC-SUMWQHHRSA-N 0 0 346.333 3.396 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2CCC2(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597090755 459835410 /nfs/dbraw/zinc/83/54/10/459835410.db2.gz QKYINDOTFRUZBY-AWEZNQCLSA-N 0 0 328.372 3.464 10 5 EGBERN C[C@@H](NC(=O)N1CC[C@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593314013 459838203 /nfs/dbraw/zinc/83/82/03/459838203.db2.gz DNCIKCICRWMCRM-YGRLFVJLSA-N 0 0 325.315 3.097 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)CCn2ccccc2=O)cc1[N+](=O)[O-] ZINC000585753377 459841109 /nfs/dbraw/zinc/84/11/09/459841109.db2.gz YTWNDVWKDUHFHA-UHFFFAOYSA-N 0 0 343.383 3.083 10 5 EGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000598297657 459853104 /nfs/dbraw/zinc/85/31/04/459853104.db2.gz RJROVTVNFYZWSX-HOTGVXAUSA-N 0 0 346.427 3.380 10 5 EGBERN CN(C(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585810202 459853666 /nfs/dbraw/zinc/85/36/66/459853666.db2.gz WXUQXCFPGQUJSZ-UHFFFAOYSA-N 0 0 328.368 3.367 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000598306409 459857219 /nfs/dbraw/zinc/85/72/19/459857219.db2.gz NXXXNBSAMHKBLQ-QGZVFWFLSA-N 0 0 332.400 3.325 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593354450 459858750 /nfs/dbraw/zinc/85/87/50/459858750.db2.gz SAYLDXLRQRTSFB-CYBMUJFWSA-N 0 0 330.718 3.428 10 5 EGBERN Cc1cc(Cc2noc(-c3cccc4nccnc43)n2)ccc1[N+](=O)[O-] ZINC000545854475 459860813 /nfs/dbraw/zinc/86/08/13/459860813.db2.gz RLDGBGXPXKMHOC-UHFFFAOYSA-N 0 0 347.334 3.487 10 5 EGBERN CNc1c(C(=O)NC2CCC3(CC3(F)F)CC2)cccc1[N+](=O)[O-] ZINC000598318069 459864495 /nfs/dbraw/zinc/86/44/95/459864495.db2.gz UWYVLTOOUFDZAY-UHFFFAOYSA-N 0 0 339.342 3.334 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](O)C(F)(F)C3)o2)cc1 ZINC000597188537 459868540 /nfs/dbraw/zinc/86/85/40/459868540.db2.gz ULSJFGPSWCWOOY-OAHLLOKOSA-N 0 0 338.310 3.057 10 5 EGBERN CSc1cccc(C(=O)NC[C@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000598339665 459871795 /nfs/dbraw/zinc/87/17/95/459871795.db2.gz BWOIVMYXGNJMTP-JTQLQIEISA-N 0 0 330.356 3.338 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C(C)(C)C2(F)F)c1 ZINC000598339596 459871924 /nfs/dbraw/zinc/87/19/24/459871924.db2.gz AKFWOVKVBLCDDS-NSHDSACASA-N 0 0 330.356 3.338 10 5 EGBERN CC1(C)[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000598339638 459872249 /nfs/dbraw/zinc/87/22/49/459872249.db2.gz BEZOIHJKCZHGGS-CYBMUJFWSA-N 0 0 337.326 3.026 10 5 EGBERN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000598352681 459876396 /nfs/dbraw/zinc/87/63/96/459876396.db2.gz PUDFZJBBDAPFQO-ZWKOTPCHSA-N 0 0 342.395 3.391 10 5 EGBERN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000597210429 459877702 /nfs/dbraw/zinc/87/77/02/459877702.db2.gz GZCGICPQIINZLM-YVEFUNNKSA-N 0 0 330.409 3.280 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2cnc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000586834221 459883450 /nfs/dbraw/zinc/88/34/50/459883450.db2.gz GOYSGJFYZMHGKN-UHFFFAOYSA-N 0 0 339.355 3.416 10 5 EGBERN CC(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)(C1CC1)C1CC1 ZINC000598381662 459884068 /nfs/dbraw/zinc/88/40/68/459884068.db2.gz QIXPDOHWSCKPEM-UHFFFAOYSA-N 0 0 327.384 3.244 10 5 EGBERN C[C@H](C(=O)N1CCC(c2ccon2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598399780 459889511 /nfs/dbraw/zinc/88/95/11/459889511.db2.gz UONACEITDXWUSP-NSHDSACASA-N 0 0 347.346 3.232 10 5 EGBERN CCOCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000608870808 459892016 /nfs/dbraw/zinc/89/20/16/459892016.db2.gz LJSCJGUMMDWJDV-UHFFFAOYSA-N 0 0 348.330 3.402 10 5 EGBERN CC(C)C(=O)N1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457977 459893962 /nfs/dbraw/zinc/89/39/62/459893962.db2.gz NULXUDQASPOPJA-UHFFFAOYSA-N 0 0 342.399 3.202 10 5 EGBERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976037 459897993 /nfs/dbraw/zinc/89/79/93/459897993.db2.gz LCKCROLGONQEED-KXBFYZLASA-N 0 0 342.395 3.436 10 5 EGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000598436994 459898895 /nfs/dbraw/zinc/89/88/95/459898895.db2.gz CDBSGDFYHXTNDQ-ZDUSSCGKSA-N 0 0 326.418 3.290 10 5 EGBERN Nc1cc(N[C@H]2CC[C@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588027488 459904318 /nfs/dbraw/zinc/90/43/18/459904318.db2.gz JZQTZGSFDKKGJN-ZBFHGGJFSA-N 0 0 341.411 3.493 10 5 EGBERN CCc1cccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000593487961 459904328 /nfs/dbraw/zinc/90/43/28/459904328.db2.gz DRQSALPTRTZLRB-UHFFFAOYSA-N 0 0 327.384 3.499 10 5 EGBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@H](C1CC1)C1CCOCC1 ZINC000593490874 459904960 /nfs/dbraw/zinc/90/49/60/459904960.db2.gz BPPGBWAMHORYNC-QGZVFWFLSA-N 0 0 327.384 3.182 10 5 EGBERN Nc1cc(N[C@H]2C[C@H](c3ccccc3F)C2)cc(CO)c1[N+](=O)[O-] ZINC000588039385 459905449 /nfs/dbraw/zinc/90/54/49/459905449.db2.gz VCZYYCUUVKTWMH-UMSPYCQHSA-N 0 0 331.347 3.167 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000588068421 459908397 /nfs/dbraw/zinc/90/83/97/459908397.db2.gz NLHZXGYOGZRQCL-TVQRCGJNSA-N 0 0 341.289 3.299 10 5 EGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1noc2c1CCCC2 ZINC000609140985 459910065 /nfs/dbraw/zinc/91/00/65/459910065.db2.gz LXZAXTILBLGKLP-SNVBAGLBSA-N 0 0 327.340 3.053 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC2CC1(C)C2 ZINC000597329315 459917757 /nfs/dbraw/zinc/91/77/57/459917757.db2.gz VFRODUABIMNDPO-UHFFFAOYSA-N 0 0 341.415 3.498 10 5 EGBERN CC[C@@H](NC(=O)C[C@H](C)n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000597352902 459926574 /nfs/dbraw/zinc/92/65/74/459926574.db2.gz ZFKZAKRBRFAKIZ-XJKSGUPXSA-N 0 0 330.388 3.318 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000598541181 459933261 /nfs/dbraw/zinc/93/32/61/459933261.db2.gz UFXPABHHXZHPGP-SUMWQHHRSA-N 0 0 328.368 3.064 10 5 EGBERN COC(=O)c1ccc2c(c1)CN([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313358 459941404 /nfs/dbraw/zinc/94/14/04/459941404.db2.gz WEFUYYKMUZGMQP-LBPRGKRZSA-N 0 0 326.352 3.458 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1F)[C@H](C)O ZINC000593660036 459942881 /nfs/dbraw/zinc/94/28/81/459942881.db2.gz YXALXXPMWLGFRP-SGTLLEGYSA-N 0 0 348.374 3.344 10 5 EGBERN Cc1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2)o1 ZINC000609428404 459960865 /nfs/dbraw/zinc/96/08/65/459960865.db2.gz XHUXGIASHZOXSK-UHFFFAOYSA-N 0 0 326.312 3.149 10 5 EGBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000609456647 459966077 /nfs/dbraw/zinc/96/60/77/459966077.db2.gz PADHIMRZUXMOCO-LLVKDONJSA-N 0 0 330.388 3.324 10 5 EGBERN CCS[C@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000613921713 459967229 /nfs/dbraw/zinc/96/72/29/459967229.db2.gz BWBJDYSBCHNNRO-KBPBESRZSA-N 0 0 325.434 3.146 10 5 EGBERN COc1nc(C)cc(C)c1CN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000598650095 459977730 /nfs/dbraw/zinc/97/77/30/459977730.db2.gz MAASJPUPZNAHTA-UHFFFAOYSA-N 0 0 343.383 3.454 10 5 EGBERN Cc1cccc(COCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000598666186 459984658 /nfs/dbraw/zinc/98/46/58/459984658.db2.gz VKAIILALMUZTPV-CQSZACIVSA-N 0 0 328.368 3.297 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCC2(CC2)C1 ZINC000598681384 459991324 /nfs/dbraw/zinc/99/13/24/459991324.db2.gz HZFFNHCQTYWFKL-GFCCVEGCSA-N 0 0 341.371 3.289 10 5 EGBERN COc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000609599046 459992331 /nfs/dbraw/zinc/99/23/31/459992331.db2.gz COXXFCMVMQFXCD-CQSZACIVSA-N 0 0 344.367 3.225 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593826947 459998137 /nfs/dbraw/zinc/99/81/37/459998137.db2.gz ACCOZRXXZMBDNM-CYBMUJFWSA-N 0 0 331.347 3.299 10 5 EGBERN CC(C)c1ccc(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000609739300 460012333 /nfs/dbraw/zinc/01/23/33/460012333.db2.gz VEIIEUZHUKRJJQ-UHFFFAOYSA-N 0 0 342.399 3.257 10 5 EGBERN Cc1nnc(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000597630638 460012598 /nfs/dbraw/zinc/01/25/98/460012598.db2.gz FFDPCZJEZAQVKU-UHFFFAOYSA-N 0 0 334.401 3.233 10 5 EGBERN CO[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000597632419 460013300 /nfs/dbraw/zinc/01/33/00/460013300.db2.gz PWQXSVOCAGPODL-QGZVFWFLSA-N 0 0 334.416 3.191 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C(=O)OC(C)(C)C)CCCC1 ZINC000609790782 460018921 /nfs/dbraw/zinc/01/89/21/460018921.db2.gz PGTGKQQUDNBGDC-UHFFFAOYSA-N 0 0 348.399 3.288 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000618470589 460019366 /nfs/dbraw/zinc/01/93/66/460019366.db2.gz WAWMQAHOJWGZIU-SNVBAGLBSA-N 0 0 348.733 3.400 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(c2ccccn2)CC1 ZINC000618469770 460019402 /nfs/dbraw/zinc/01/94/02/460019402.db2.gz DMGOBVSQPHHPHF-UHFFFAOYSA-N 0 0 345.786 3.413 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597685077 460026147 /nfs/dbraw/zinc/02/61/47/460026147.db2.gz QAJAIUNFJXXHEO-UHFFFAOYSA-N 0 0 347.371 3.100 10 5 EGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000598779110 460030950 /nfs/dbraw/zinc/03/09/50/460030950.db2.gz ALXPZTQGMDEMBL-SSDOTTSWSA-N 0 0 349.131 3.132 10 5 EGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000589107769 460031415 /nfs/dbraw/zinc/03/14/15/460031415.db2.gz KDQDIYSHTFIOPP-LBPRGKRZSA-N 0 0 349.341 3.403 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(CC2CC2)C1 ZINC000598781366 460032031 /nfs/dbraw/zinc/03/20/31/460032031.db2.gz MZBLLNVYCRPHSN-JTQLQIEISA-N 0 0 338.791 3.274 10 5 EGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC(CC3CC3)C2)cc1SC ZINC000598782267 460033642 /nfs/dbraw/zinc/03/36/42/460033642.db2.gz XAGFKPAVXDYJRY-UHFFFAOYSA-N 0 0 336.413 3.197 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597729168 460042539 /nfs/dbraw/zinc/04/25/39/460042539.db2.gz COOUDSJULWDMNJ-HNNXBMFYSA-N 0 0 328.372 3.419 10 5 EGBERN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC1 ZINC000598828776 460055531 /nfs/dbraw/zinc/05/55/31/460055531.db2.gz QMFWOGOXADNEKD-GFCCVEGCSA-N 0 0 332.278 3.367 10 5 EGBERN Cc1ccc(NCCCNC(=O)NCCCC2CC2)c([N+](=O)[O-])c1 ZINC000610091021 460062309 /nfs/dbraw/zinc/06/23/09/460062309.db2.gz ZYZIBDPZXBKRPX-UHFFFAOYSA-N 0 0 334.420 3.195 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594056743 460078392 /nfs/dbraw/zinc/07/83/92/460078392.db2.gz WBXVSWQRLTXQPM-ZDUSSCGKSA-N 0 0 349.387 3.217 10 5 EGBERN O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610203900 460081952 /nfs/dbraw/zinc/08/19/52/460081952.db2.gz UJZKQKXONHUISW-ACJLOTCBSA-N 0 0 335.363 3.437 10 5 EGBERN COc1ccc2c(c1)N(C(=O)c1cccc(OC)c1[N+](=O)[O-])CCC2 ZINC000598883725 460083207 /nfs/dbraw/zinc/08/32/07/460083207.db2.gz YEKAEXGZISVHTL-UHFFFAOYSA-N 0 0 342.351 3.205 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594071354 460085736 /nfs/dbraw/zinc/08/57/36/460085736.db2.gz ZJAZJGOZTSHMLA-IAGOWNOFSA-N 0 0 332.400 3.289 10 5 EGBERN C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597864311 460085893 /nfs/dbraw/zinc/08/58/93/460085893.db2.gz MRKNIHFQVKLGFG-CYBMUJFWSA-N 0 0 327.384 3.187 10 5 EGBERN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597866651 460086892 /nfs/dbraw/zinc/08/68/92/460086892.db2.gz YBJGDRALXATACB-VXGBXAGGSA-N 0 0 331.347 3.152 10 5 EGBERN CC[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594079054 460091261 /nfs/dbraw/zinc/09/12/61/460091261.db2.gz QSRUQPAAHIHNQV-TZMCWYRMSA-N 0 0 337.376 3.073 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000598938291 460095772 /nfs/dbraw/zinc/09/57/72/460095772.db2.gz YQRAHWZPSCSEQZ-UHFFFAOYSA-N 0 0 340.383 3.015 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2cccc(C)c2)c1 ZINC000589495029 460095731 /nfs/dbraw/zinc/09/57/31/460095731.db2.gz OLTSADQLLYFSNH-UHFFFAOYSA-N 0 0 328.368 3.322 10 5 EGBERN Cc1cc([N+](=O)[O-])cnc1N1CCc2nccc(Br)c2C1 ZINC000598942138 460098054 /nfs/dbraw/zinc/09/80/54/460098054.db2.gz IWMPQDSGGQESJF-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN CC(C)(C(=O)NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000598950187 460098733 /nfs/dbraw/zinc/09/87/33/460098733.db2.gz HEWDESRMYCXKCO-CQSZACIVSA-N 0 0 339.395 3.114 10 5 EGBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1Cc2ccccc2N(C)C(=O)C1 ZINC000598949316 460098916 /nfs/dbraw/zinc/09/89/16/460098916.db2.gz YCRBGHKUMLSUGD-ZDUSSCGKSA-N 0 0 325.368 3.134 10 5 EGBERN C[C@H](O)CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000594105978 460103214 /nfs/dbraw/zinc/10/32/14/460103214.db2.gz LKOIBDJUSSFIQU-NSHDSACASA-N 0 0 335.404 3.269 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccn1)C1CCC1 ZINC000598966885 460108701 /nfs/dbraw/zinc/10/87/01/460108701.db2.gz KMLWVUVQVCMXSU-QGZVFWFLSA-N 0 0 340.383 3.330 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCNc1ncnc2cc(Cl)ccc21 ZINC000610337102 460124334 /nfs/dbraw/zinc/12/43/34/460124334.db2.gz DYYMDSARMOMDOT-UHFFFAOYSA-N 0 0 343.774 3.137 10 5 EGBERN CCC(C)(C)[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000597950264 460124825 /nfs/dbraw/zinc/12/48/25/460124825.db2.gz BIEQCJXWNVPHAZ-LBPRGKRZSA-N 0 0 330.388 3.335 10 5 EGBERN C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1F ZINC000589679231 460125726 /nfs/dbraw/zinc/12/57/26/460125726.db2.gz HQVPUMMLHPYNGH-IAQYHMDHSA-N 0 0 348.378 3.008 10 5 EGBERN Cc1noc([C@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)n1 ZINC000599026541 460130575 /nfs/dbraw/zinc/13/05/75/460130575.db2.gz HIUPOZMKLCYJQF-ZDUSSCGKSA-N 0 0 339.355 3.218 10 5 EGBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(C2CC2)C1 ZINC000589725106 460131289 /nfs/dbraw/zinc/13/12/89/460131289.db2.gz VSLFTSPDEVKCEW-UHFFFAOYSA-N 0 0 329.381 3.200 10 5 EGBERN Cc1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000594164463 460135653 /nfs/dbraw/zinc/13/56/53/460135653.db2.gz JAFDDJOUOHJGCB-CMPLNLGQSA-N 0 0 346.305 3.133 10 5 EGBERN CSc1cccc(C(=O)NC[C@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000614416003 460135884 /nfs/dbraw/zinc/13/58/84/460135884.db2.gz JGOBIGUKKMZSNR-NSHDSACASA-N 0 0 331.397 3.245 10 5 EGBERN CC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594173064 460136634 /nfs/dbraw/zinc/13/66/34/460136634.db2.gz BAMRMQHOBBQPQK-HOTGVXAUSA-N 0 0 334.416 3.336 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594186384 460140665 /nfs/dbraw/zinc/14/06/65/460140665.db2.gz OPWSOWBQUVOAGC-OCCSQVGLSA-N 0 0 338.429 3.394 10 5 EGBERN O=[N+]([O-])c1c(NCCCOC2CCOCC2)ccc2cnccc21 ZINC000599051497 460141102 /nfs/dbraw/zinc/14/11/02/460141102.db2.gz UOAYWFDBBUZNDE-UHFFFAOYSA-N 0 0 331.372 3.141 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000594201856 460148172 /nfs/dbraw/zinc/14/81/72/460148172.db2.gz CADUOOVLRIISSG-AWEZNQCLSA-N 0 0 332.400 3.467 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594211987 460153676 /nfs/dbraw/zinc/15/36/76/460153676.db2.gz KCRUPAKEPNEOPC-BBRMVZONSA-N 0 0 347.415 3.447 10 5 EGBERN CSc1ccc(C(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598049604 460153796 /nfs/dbraw/zinc/15/37/96/460153796.db2.gz WYIXTNMIZPDOCG-NSHDSACASA-N 0 0 336.413 3.100 10 5 EGBERN O=[N+]([O-])c1c(N[C@@H]([C@@H](CO)C2CC2)C2CC2)ccc2cnccc21 ZINC000599084224 460156254 /nfs/dbraw/zinc/15/62/54/460156254.db2.gz QBKXNCSLQXRCSV-DOTOQJQBSA-N 0 0 327.384 3.352 10 5 EGBERN CCO[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598060611 460157718 /nfs/dbraw/zinc/15/77/18/460157718.db2.gz TYOLQVLLYXUXAU-XYPYZODXSA-N 0 0 344.820 3.024 10 5 EGBERN Cc1ccnc([C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000599103675 460161557 /nfs/dbraw/zinc/16/15/57/460161557.db2.gz XRPSKCIHHUMWDU-ZDUSSCGKSA-N 0 0 335.367 3.235 10 5 EGBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000599110934 460164302 /nfs/dbraw/zinc/16/43/02/460164302.db2.gz HJNYCDNSNAIDNU-MGPLVRAMSA-N 0 0 337.326 3.392 10 5 EGBERN COc1cc(NC[C@@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1C ZINC000599119047 460166329 /nfs/dbraw/zinc/16/63/29/460166329.db2.gz XDWJVPMEACTMPN-CYBMUJFWSA-N 0 0 344.293 3.324 10 5 EGBERN COC(=O)c1cc(N2CCCC(F)(F)CC2)cc(C)c1[N+](=O)[O-] ZINC000599133979 460170307 /nfs/dbraw/zinc/17/03/07/460170307.db2.gz OLXXLSMHWSLEPQ-UHFFFAOYSA-N 0 0 328.315 3.315 10 5 EGBERN O=[N+]([O-])c1ccc(NCC2(OCCO)CCC(F)(F)CC2)c(F)c1 ZINC000599139283 460172797 /nfs/dbraw/zinc/17/27/97/460172797.db2.gz PSSCFYFKABUXCX-UHFFFAOYSA-N 0 0 348.321 3.103 10 5 EGBERN COC(=O)c1c(Cl)c(N[C@@]23C[C@@H]2COC3(C)C)ccc1[N+](=O)[O-] ZINC000599143700 460173608 /nfs/dbraw/zinc/17/36/08/460173608.db2.gz VJODXKWKXOEDRB-GLEZIHRCSA-N 0 0 340.763 3.014 10 5 EGBERN COc1cc(Cc2noc(C[C@@H](C)C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000599144878 460173810 /nfs/dbraw/zinc/17/38/10/460173810.db2.gz UIIGUTVPZXRNCA-MRVPVSSYSA-N 0 0 345.277 3.318 10 5 EGBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598102178 460175072 /nfs/dbraw/zinc/17/50/72/460175072.db2.gz VSCUUZKKUWAFAL-SUMWQHHRSA-N 0 0 339.395 3.241 10 5 EGBERN Nc1cc(N[C@@H]2CCc3cc(Cl)ccc32)cc(CO)c1[N+](=O)[O-] ZINC000599157150 460181166 /nfs/dbraw/zinc/18/11/66/460181166.db2.gz PTBSPWATHXYTTB-OAHLLOKOSA-N 0 0 333.775 3.422 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C(F)(F)F ZINC000599172222 460186762 /nfs/dbraw/zinc/18/67/62/460186762.db2.gz FJHGOUVCABALNS-GEDWGEIESA-N 0 0 348.346 3.103 10 5 EGBERN O=[N+]([O-])c1ccsc1N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599180214 460190824 /nfs/dbraw/zinc/19/08/24/460190824.db2.gz WHGJHAFZHSSBCS-UHFFFAOYSA-N 0 0 342.424 3.460 10 5 EGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599182628 460191853 /nfs/dbraw/zinc/19/18/53/460191853.db2.gz ZSYKWWHIZFPRDY-BXKDBHETSA-N 0 0 327.178 3.337 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](c3ccc(O)cc3)C2)s1 ZINC000599192400 460194711 /nfs/dbraw/zinc/19/47/11/460194711.db2.gz QWPUVNHQAYPDBQ-NSHDSACASA-N 0 0 342.380 3.299 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1nc(-c2coc(C3CC3)n2)no1 ZINC000599191460 460194831 /nfs/dbraw/zinc/19/48/31/460194831.db2.gz HJGJJDQTYJLXOA-UHFFFAOYSA-N 0 0 341.327 3.165 10 5 EGBERN COc1ccc(-c2nc(-c3coc(C4CC4)n3)no2)cc1[N+](=O)[O-] ZINC000599192466 460194982 /nfs/dbraw/zinc/19/49/82/460194982.db2.gz UVWRFMRRAPCZDC-UHFFFAOYSA-N 0 0 328.284 3.186 10 5 EGBERN C/C=C/C[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000599199526 460197433 /nfs/dbraw/zinc/19/74/33/460197433.db2.gz IALTUGYKOQXNCY-JDGPPOGSSA-N 0 0 328.372 3.426 10 5 EGBERN C[C@@H](C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598201403 460202630 /nfs/dbraw/zinc/20/26/30/460202630.db2.gz LOIMXJXCNMWOGO-DDUZABMNSA-N 0 0 340.379 3.425 10 5 EGBERN Cc1cccc(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)c1 ZINC000610659768 460207376 /nfs/dbraw/zinc/20/73/76/460207376.db2.gz RKRLDZAGVZWFFI-UHFFFAOYSA-N 0 0 328.343 3.357 10 5 EGBERN C[C@]1(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000598219587 460209596 /nfs/dbraw/zinc/20/95/96/460209596.db2.gz LZSMIPHRQNKBRD-ZDUSSCGKSA-N 0 0 332.734 3.342 10 5 EGBERN CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594410948 460210640 /nfs/dbraw/zinc/21/06/40/460210640.db2.gz NLZCJXFBMPHXEV-JSGCOSHPSA-N 0 0 326.780 3.326 10 5 EGBERN CC(C)(C(=O)NCC[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598222109 460211242 /nfs/dbraw/zinc/21/12/42/460211242.db2.gz YMHFDJAADOVLJX-HNNXBMFYSA-N 0 0 326.343 3.424 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000610677203 460213549 /nfs/dbraw/zinc/21/35/49/460213549.db2.gz LKDUCHQVIDBOQL-UHFFFAOYSA-N 0 0 337.383 3.330 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOc2ncccc2C1 ZINC000618905847 460216913 /nfs/dbraw/zinc/21/69/13/460216913.db2.gz HIUWSRSOZWVAFO-UHFFFAOYSA-N 0 0 342.355 3.033 10 5 EGBERN Cc1ccc(CC2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000598234795 460217340 /nfs/dbraw/zinc/21/73/40/460217340.db2.gz JPPIZZFCEVMEGU-UHFFFAOYSA-N 0 0 342.370 3.286 10 5 EGBERN COC(=O)c1ccc2c(c1)CN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000610715686 460223648 /nfs/dbraw/zinc/22/36/48/460223648.db2.gz FQGHRZCQCUBXIL-UHFFFAOYSA-N 0 0 346.314 3.049 10 5 EGBERN CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000614869761 460236162 /nfs/dbraw/zinc/23/61/62/460236162.db2.gz YFQMYDGFUKZDKV-CQSZACIVSA-N 0 0 346.305 3.087 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000610968283 460267527 /nfs/dbraw/zinc/26/75/27/460267527.db2.gz QWXJOIIVFCUROV-SNVBAGLBSA-N 0 0 342.367 3.333 10 5 EGBERN C/C=C\C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599527457 460268356 /nfs/dbraw/zinc/26/83/56/460268356.db2.gz AURLGVXXRCQXMO-PYLYLYNFSA-N 0 0 338.429 3.103 10 5 EGBERN Cn1cc(CSCc2cccc(OC(F)F)c2)c([N+](=O)[O-])n1 ZINC000603326677 460285136 /nfs/dbraw/zinc/28/51/36/460285136.db2.gz BOEBPWABLLRQGY-UHFFFAOYSA-N 0 0 329.328 3.363 10 5 EGBERN CC(C)(NC(=O)c1ocnc1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599645598 460296935 /nfs/dbraw/zinc/29/69/35/460296935.db2.gz QKXRFJQBJYUXAE-UHFFFAOYSA-N 0 0 325.271 3.186 10 5 EGBERN COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]2CCC[C@@H]21 ZINC000599650128 460298027 /nfs/dbraw/zinc/29/80/27/460298027.db2.gz CUKYQTGJQOPOEU-BFYDXBDKSA-N 0 0 332.400 3.067 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(CC(F)(F)F)C1 ZINC000611155512 460298470 /nfs/dbraw/zinc/29/84/70/460298470.db2.gz MPYMFMBJXLYOQS-UHFFFAOYSA-N 0 0 341.289 3.029 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C(F)F)C1 ZINC000611180213 460302194 /nfs/dbraw/zinc/30/21/94/460302194.db2.gz UTDIJBOHSLJOTJ-BDAKNGLRSA-N 0 0 347.749 3.162 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599694983 460313838 /nfs/dbraw/zinc/31/38/38/460313838.db2.gz SDNHAEFQHQJYGW-NWDGAFQWSA-N 0 0 333.369 3.343 10 5 EGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC3CCCCC3)cc2)n1 ZINC000611335101 460338754 /nfs/dbraw/zinc/33/87/54/460338754.db2.gz SDJLGNBJSRRVPU-UHFFFAOYSA-N 0 0 343.387 3.325 10 5 EGBERN CC(C)(C)OCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830072 460343553 /nfs/dbraw/zinc/34/35/53/460343553.db2.gz PXUHANAWSUVTAN-UHFFFAOYSA-N 0 0 332.360 3.080 10 5 EGBERN C[C@H]1CC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599833180 460343857 /nfs/dbraw/zinc/34/38/57/460343857.db2.gz QPUAVPWZTRJZSH-QWRGUYRKSA-N 0 0 344.371 3.221 10 5 EGBERN COC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840388 460346257 /nfs/dbraw/zinc/34/62/57/460346257.db2.gz SJPIFVMFDFRNKA-LBPRGKRZSA-N 0 0 344.371 3.176 10 5 EGBERN CC[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599840309 460346338 /nfs/dbraw/zinc/34/63/38/460346338.db2.gz ROFXYEHNNQNPPX-VXGBXAGGSA-N 0 0 344.371 3.222 10 5 EGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C(F)F ZINC000619422049 460351798 /nfs/dbraw/zinc/35/17/98/460351798.db2.gz VKHLASPZKOGEPA-SSDOTTSWSA-N 0 0 336.722 3.175 10 5 EGBERN O=C(N[C@@H]1CCCC1(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000599943470 460362448 /nfs/dbraw/zinc/36/24/48/460362448.db2.gz LTTMMVVUKFKWSU-SECBINFHSA-N 0 0 349.131 3.275 10 5 EGBERN CCCNC(=O)c1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611510429 460382572 /nfs/dbraw/zinc/38/25/72/460382572.db2.gz JKTPHQNGZPUPHP-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN COC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000619587064 460390330 /nfs/dbraw/zinc/39/03/30/460390330.db2.gz OYJOZSQTNHBVOM-NSHDSACASA-N 0 0 345.193 3.357 10 5 EGBERN CCOc1ccc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000604228370 460393101 /nfs/dbraw/zinc/39/31/01/460393101.db2.gz JHOTWGKPWZKFMG-JTQLQIEISA-N 0 0 347.346 3.206 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](OC(F)F)C2)cc1OC(F)F ZINC000611583348 460409661 /nfs/dbraw/zinc/40/96/61/460409661.db2.gz BIYNGCWEKLIRSQ-SECBINFHSA-N 0 0 338.257 3.404 10 5 EGBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600161063 460413999 /nfs/dbraw/zinc/41/39/99/460413999.db2.gz HTEPQNOZAVBHTC-FMKPAKJESA-N 0 0 343.427 3.361 10 5 EGBERN CCCCN(C)C(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616691 460414676 /nfs/dbraw/zinc/41/46/76/460414676.db2.gz NVWHQAWDZGDWOW-UHFFFAOYSA-N 0 0 348.447 3.082 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000611617446 460415072 /nfs/dbraw/zinc/41/50/72/460415072.db2.gz VGIVDGLQWJFVGJ-IUODEOHRSA-N 0 0 349.337 3.197 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(nc(C(C)C)n3C)C2)n1 ZINC000611616507 460415200 /nfs/dbraw/zinc/41/52/00/460415200.db2.gz URFNXOZCNLCPBG-UHFFFAOYSA-N 0 0 329.404 3.026 10 5 EGBERN COc1ccc(CC(=O)NCC(C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC000600164361 460415400 /nfs/dbraw/zinc/41/54/00/460415400.db2.gz IMMBCCMIBBVFTF-UHFFFAOYSA-N 0 0 346.427 3.479 10 5 EGBERN O=C(NC1(C(F)(F)F)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618516 460416345 /nfs/dbraw/zinc/41/63/45/460416345.db2.gz IXMQCFKXLFYYNB-UHFFFAOYSA-N 0 0 340.204 3.021 10 5 EGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600170977 460419096 /nfs/dbraw/zinc/41/90/96/460419096.db2.gz UVFURGJQEWHNCN-NFAWXSAZSA-N 0 0 327.384 3.102 10 5 EGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC000619735286 460424664 /nfs/dbraw/zinc/42/46/64/460424664.db2.gz BIQYWQSEUCUQJR-ZDUSSCGKSA-N 0 0 329.404 3.263 10 5 EGBERN COc1ccccc1C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000604486508 460433405 /nfs/dbraw/zinc/43/34/05/460433405.db2.gz JAGMYAKTEDYPMV-UHFFFAOYSA-N 0 0 343.383 3.014 10 5 EGBERN CCC(C)(C)OC1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000600268963 460460825 /nfs/dbraw/zinc/46/08/25/460460825.db2.gz ZPERANOSANRBLE-UHFFFAOYSA-N 0 0 338.429 3.346 10 5 EGBERN CNc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000600301749 460466523 /nfs/dbraw/zinc/46/65/23/460466523.db2.gz JSQIUJWEAHRQPV-QGZVFWFLSA-N 0 0 340.383 3.303 10 5 EGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccn1)C1CCC1 ZINC000600300633 460466540 /nfs/dbraw/zinc/46/65/40/460466540.db2.gz FZVANGXMDVCMCI-SFHVURJKSA-N 0 0 341.367 3.026 10 5 EGBERN COc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000600301834 460467755 /nfs/dbraw/zinc/46/77/55/460467755.db2.gz MTNNBVQPSSPQQJ-KRWDZBQOSA-N 0 0 341.367 3.270 10 5 EGBERN COc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000600301835 460468220 /nfs/dbraw/zinc/46/82/20/460468220.db2.gz MTNNBVQPSSPQQJ-QGZVFWFLSA-N 0 0 341.367 3.270 10 5 EGBERN COc1ccc(NC(=O)N2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000611828634 460471682 /nfs/dbraw/zinc/47/16/82/460471682.db2.gz BULHBPIBDIJGMJ-UHFFFAOYSA-N 0 0 333.266 3.020 10 5 EGBERN CCC(F)(F)C(C)(C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000600386756 460487837 /nfs/dbraw/zinc/48/78/37/460487837.db2.gz HUTPVIXSJIYOLZ-UHFFFAOYSA-N 0 0 343.374 3.219 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600390530 460487874 /nfs/dbraw/zinc/48/78/74/460487874.db2.gz BKPOAFUUQYFDSL-LBPRGKRZSA-N 0 0 341.367 3.325 10 5 EGBERN CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600424773 460493097 /nfs/dbraw/zinc/49/30/97/460493097.db2.gz CXYVSPGTIWMTAV-ZDUSSCGKSA-N 0 0 331.347 3.470 10 5 EGBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600445188 460496139 /nfs/dbraw/zinc/49/61/39/460496139.db2.gz ZTSGRKVNLJHSQY-YDEXJTGXSA-N 0 0 346.305 3.155 10 5 EGBERN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600475338 460501352 /nfs/dbraw/zinc/50/13/52/460501352.db2.gz HJXWRSNFVBOFTI-AWEZNQCLSA-N 0 0 331.347 3.470 10 5 EGBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]2C[C@H]2C1 ZINC000600495602 460506080 /nfs/dbraw/zinc/50/60/80/460506080.db2.gz WHARZMDOQATJCD-FVGIMDHTSA-N 0 0 325.368 3.309 10 5 EGBERN COc1ccc(OCCS[C@@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000600568161 460527104 /nfs/dbraw/zinc/52/71/04/460527104.db2.gz FWIVADOGRLSBEZ-LBPRGKRZSA-N 0 0 327.402 3.283 10 5 EGBERN C[C@@H]1Oc2ccccc2[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165731 460738467 /nfs/dbraw/zinc/73/84/67/460738467.db2.gz FTSBBGVLLBBQCC-XVKPBYJWSA-N 0 0 342.277 3.281 10 5 EGBERN O=[N+]([O-])c1cnccc1N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000601187017 460743045 /nfs/dbraw/zinc/74/30/45/460743045.db2.gz KSFWMQVNWSTNGR-UHFFFAOYSA-N 0 0 337.383 3.325 10 5 EGBERN COc1cccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1C ZINC000601199466 460748872 /nfs/dbraw/zinc/74/88/72/460748872.db2.gz VMHSIYHJGXQYES-UHFFFAOYSA-N 0 0 344.293 3.276 10 5 EGBERN CCn1nc(C)c(CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)c1C ZINC000601210701 460751706 /nfs/dbraw/zinc/75/17/06/460751706.db2.gz SHGXVYNQDABJAT-UHFFFAOYSA-N 0 0 329.404 3.032 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)c1 ZINC000612892666 460765009 /nfs/dbraw/zinc/76/50/09/460765009.db2.gz PIGLEDKALSIQHD-UHFFFAOYSA-N 0 0 339.307 3.007 10 5 EGBERN Cc1nc(N2CC[C@@H](c3ccc4cccnc4n3)C2)ccc1[N+](=O)[O-] ZINC000601255871 460766124 /nfs/dbraw/zinc/76/61/24/460766124.db2.gz GJXQAIBADVXWDI-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN O=[N+]([O-])c1ccccc1NCCc1noc(C2(C(F)(F)F)CC2)n1 ZINC000612928791 460774124 /nfs/dbraw/zinc/77/41/24/460774124.db2.gz GYEHSUJTIYRXNJ-UHFFFAOYSA-N 0 0 342.277 3.226 10 5 EGBERN Cc1cc(S(=O)(=O)N(C)Cc2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC000601284046 460775755 /nfs/dbraw/zinc/77/57/55/460775755.db2.gz DEVZBHHKBNKIIN-UHFFFAOYSA-N 0 0 340.426 3.094 10 5 EGBERN Cc1cc(S(=O)(=O)N2CCc3c2cccc3C)c([N+](=O)[O-])s1 ZINC000601325909 460788826 /nfs/dbraw/zinc/78/88/26/460788826.db2.gz HKBKCBTTZXVYRJ-UHFFFAOYSA-N 0 0 338.410 3.025 10 5 EGBERN Cc1ccc(-c2noc([C@@H]3C[C@H]3C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000601356690 460794023 /nfs/dbraw/zinc/79/40/23/460794023.db2.gz DQDOOGLEBWIINZ-UONOGXRCSA-N 0 0 329.356 3.483 10 5 EGBERN C[C@H]1CCn2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)nc2C1 ZINC000601353835 460794050 /nfs/dbraw/zinc/79/40/50/460794050.db2.gz HKAHYHUFSYTKFI-JTQLQIEISA-N 0 0 325.328 3.091 10 5 EGBERN Cc1ccc(-c2noc(-c3cn4c(n3)C[C@@H](C)CC4)n2)cc1[N+](=O)[O-] ZINC000601356901 460794206 /nfs/dbraw/zinc/79/42/06/460794206.db2.gz HOOXVSNXTOKZMG-JTQLQIEISA-N 0 0 339.355 3.399 10 5 EGBERN C[C@H]1C[C@H](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601431932 460809800 /nfs/dbraw/zinc/80/98/00/460809800.db2.gz TXBHPQAZKXVKMF-LSDHHAIUSA-N 0 0 346.427 3.338 10 5 EGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601559131 460832124 /nfs/dbraw/zinc/83/21/24/460832124.db2.gz AURQWUVNUBHYIE-INIZCTEOSA-N 0 0 347.415 3.133 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2ccccc2C)C1 ZINC000617408659 460851590 /nfs/dbraw/zinc/85/15/90/460851590.db2.gz UHIVQSGDXRWIKK-UHFFFAOYSA-N 0 0 340.379 3.227 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3cccnc3)C2)c1 ZINC000601661468 460860887 /nfs/dbraw/zinc/86/08/87/460860887.db2.gz YPBXNSYKXGEQEL-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccco1 ZINC000601700952 460875265 /nfs/dbraw/zinc/87/52/65/460875265.db2.gz SPSXDQDGLLXUEE-INIZCTEOSA-N 0 0 330.340 3.176 10 5 EGBERN C[C@@H](C1CC1)N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000601715745 460882266 /nfs/dbraw/zinc/88/22/66/460882266.db2.gz WKBLOESUEHRJFX-ZDUSSCGKSA-N 0 0 328.372 3.013 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601854207 460925840 /nfs/dbraw/zinc/92/58/40/460925840.db2.gz NGCCOIFOMHHAQQ-INIZCTEOSA-N 0 0 348.399 3.073 10 5 EGBERN O=C(NCC1([C@@H]2CCCCO2)CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000601858780 460928091 /nfs/dbraw/zinc/92/80/91/460928091.db2.gz ZFIQZXIGTGXJKC-HNNXBMFYSA-N 0 0 336.363 3.203 10 5 EGBERN COCC[C@@H]1CCCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000613435940 460947817 /nfs/dbraw/zinc/94/78/17/460947817.db2.gz QVMQHPVMAPSKJG-ZDUSSCGKSA-N 0 0 330.388 3.181 10 5 EGBERN COC(=O)c1cc(NCCCCn2ccnc2C)cc(C)c1[N+](=O)[O-] ZINC000130903351 533892093 /nfs/dbraw/zinc/89/20/93/533892093.db2.gz JCCORZZHGMKTIE-UHFFFAOYSA-N 0 0 346.387 3.087 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174873552 534719803 /nfs/dbraw/zinc/71/98/03/534719803.db2.gz CMTRNIDPIODGAX-KGLIPLIRSA-N 0 0 346.408 3.385 10 5 EGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000185854467 527526635 /nfs/dbraw/zinc/52/66/35/527526635.db2.gz XTNKMPASSBCSBT-JIIJFUIFSA-N 0 0 340.383 3.095 10 5 EGBERN CC(C)C[C@@]1(CO)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191521792 528435336 /nfs/dbraw/zinc/43/53/36/528435336.db2.gz ZDTKZZPKLUUXSV-GOSISDBHSA-N 0 0 345.399 3.089 10 5 EGBERN CCN(CCc1nccs1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000131591626 528600543 /nfs/dbraw/zinc/60/05/43/528600543.db2.gz KYXXXJWNJMHXDO-UHFFFAOYSA-N 0 0 333.413 3.075 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131544220 528604873 /nfs/dbraw/zinc/60/48/73/528604873.db2.gz LUBCXGZIGNKUBX-UHFFFAOYSA-N 0 0 339.804 3.410 10 5 EGBERN CCN(CCc1nccs1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000159269376 528609680 /nfs/dbraw/zinc/60/96/80/528609680.db2.gz HTMNNGFZXPUJDY-UHFFFAOYSA-N 0 0 346.412 3.005 10 5 EGBERN CCOCCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000158563596 528630077 /nfs/dbraw/zinc/63/00/77/528630077.db2.gz PGDRMMZXGGISQP-UHFFFAOYSA-N 0 0 331.372 3.013 10 5 EGBERN COc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000357996261 536524633 /nfs/dbraw/zinc/52/46/33/536524633.db2.gz UYNKFQVUUKPXFH-CABCVRRESA-N 0 0 326.352 3.198 10 5 EGBERN O=C(O[C@@H]1CCc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000727631901 574678779 /nfs/dbraw/zinc/67/87/79/574678779.db2.gz LMDGARGGTJWMKZ-OAHLLOKOSA-N 0 0 341.319 3.210 10 5 EGBERN Nc1nc(Oc2ccc(C3SCCS3)cc2)ncc1[N+](=O)[O-] ZINC000728049080 574713540 /nfs/dbraw/zinc/71/35/40/574713540.db2.gz LYULPVMVKCBBQB-UHFFFAOYSA-N 0 0 336.398 3.238 10 5 EGBERN CCN(C)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000730240209 574961505 /nfs/dbraw/zinc/96/15/05/574961505.db2.gz ORYQDWVAVPBUBZ-UHFFFAOYSA-N 0 0 327.384 3.289 10 5 EGBERN COC(=O)/C=C/c1ccc(NCCc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000732050615 575234269 /nfs/dbraw/zinc/23/42/69/575234269.db2.gz XCDOZIIEYPTEQS-SOFGYWHQSA-N 0 0 341.367 3.139 10 5 EGBERN O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000732054156 575234548 /nfs/dbraw/zinc/23/45/48/575234548.db2.gz QSNAFLPTZCTJPS-LBPRGKRZSA-N 0 0 337.807 3.087 10 5 EGBERN CC(C)(C)/C=C\C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000732401198 575266739 /nfs/dbraw/zinc/26/67/39/575266739.db2.gz GWTGPPWZXVQOPW-HJWRWDBZSA-N 0 0 331.328 3.290 10 5 EGBERN C[C@@H]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000734405979 575481097 /nfs/dbraw/zinc/48/10/97/575481097.db2.gz SFDGYAHNONEYPR-CHWSQXEVSA-N 0 0 338.379 3.445 10 5 EGBERN C[C@@H]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000734404947 575481102 /nfs/dbraw/zinc/48/11/02/575481102.db2.gz OPDONDJIJGKOSK-NEPJUHHUSA-N 0 0 335.360 3.449 10 5 EGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000735487055 575668486 /nfs/dbraw/zinc/66/84/86/575668486.db2.gz ASCUIIFWQPCFSC-GFCCVEGCSA-N 0 0 328.155 3.442 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000735487636 575668632 /nfs/dbraw/zinc/66/86/32/575668632.db2.gz QZCPBAOWKCUPEX-ZDUSSCGKSA-N 0 0 336.392 3.191 10 5 EGBERN CC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000743020370 576799984 /nfs/dbraw/zinc/79/99/84/576799984.db2.gz OOVHTKZVAPDATO-AWEZNQCLSA-N 0 0 347.444 3.383 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1ccc(C(F)(F)F)n1 ZINC000744137394 576821215 /nfs/dbraw/zinc/82/12/15/576821215.db2.gz OCXZRQGDWFGZHK-VIFPVBQESA-N 0 0 326.278 3.219 10 5 EGBERN COc1cccc([C@H](C)OC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000744325375 576825494 /nfs/dbraw/zinc/82/54/94/576825494.db2.gz HIWBVAATOAHCOX-LBPRGKRZSA-N 0 0 345.351 3.459 10 5 EGBERN C[C@H]1CCCN(c2ccc(C(=O)OCC3(C)COC3)cc2[N+](=O)[O-])C1 ZINC000744616242 576831910 /nfs/dbraw/zinc/83/19/10/576831910.db2.gz BELNPUTZBLBRIN-ZDUSSCGKSA-N 0 0 348.399 3.024 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 ZINC000745386375 576847223 /nfs/dbraw/zinc/84/72/23/576847223.db2.gz SOLPYZNWJZFYLP-UHFFFAOYSA-N 0 0 338.319 3.424 10 5 EGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000697953773 1298167948 /nfs/dbraw/zinc/16/79/48/1298167948.db2.gz ZEJCRFOFNQUEHP-UHFFFAOYSA-N 0 0 337.120 3.132 10 5 EGBERN O=C(Cn1ncc2ccccc21)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000107144988 1293061478 /nfs/dbraw/zinc/06/14/78/1293061478.db2.gz CSQNMNITGRDSFF-UHFFFAOYSA-N 0 0 330.731 3.237 10 5 EGBERN C[C@H](Nc1ccc2c(c1)CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171118538 1294394489 /nfs/dbraw/zinc/39/44/89/1294394489.db2.gz QDJNUFBSPWGPAN-LBPRGKRZSA-N 0 0 341.367 3.359 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000176795979 1294631322 /nfs/dbraw/zinc/63/13/22/1294631322.db2.gz LRCVISYUKGIGFH-UHFFFAOYSA-N 0 0 349.343 3.270 10 5 EGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccccc3)n2)c1 ZINC000177263210 1294662771 /nfs/dbraw/zinc/66/27/71/1294662771.db2.gz HSJCWQSXHUGJSB-UHFFFAOYSA-N 0 0 325.280 3.036 10 5 EGBERN C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@]12C[C@H]1CCCC2 ZINC000870526488 1295927108 /nfs/dbraw/zinc/92/71/08/1295927108.db2.gz JSAGWMXXAPFXEL-WRSAYESZSA-N 0 0 342.399 3.030 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H]1CCCc2nccnc21 ZINC000870540987 1295932292 /nfs/dbraw/zinc/93/22/92/1295932292.db2.gz JGIGGCBKVRBEIZ-HNNXBMFYSA-N 0 0 327.340 3.236 10 5 EGBERN Cc1cc(C(=O)O[C@H]2C[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000870818943 1296100475 /nfs/dbraw/zinc/10/04/75/1296100475.db2.gz RIRBHGYXQOKLLL-XYPYZODXSA-N 0 0 333.262 3.170 10 5 EGBERN CCc1ccc(CCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870826747 1296104369 /nfs/dbraw/zinc/10/43/69/1296104369.db2.gz MGUGYYRECQUUKK-UHFFFAOYSA-N 0 0 343.383 3.233 10 5 EGBERN CC[C@@H](Cc1ccccc1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829394 1296106168 /nfs/dbraw/zinc/10/61/68/1296106168.db2.gz KNEGOIAPGCKCFS-UQPPLGOBSA-N 0 0 343.383 3.307 10 5 EGBERN C[C@H](CC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000870829538 1296106704 /nfs/dbraw/zinc/10/67/04/1296106704.db2.gz MIUIOUDMYDKTAK-OLQXHTCTSA-N 0 0 347.346 3.371 10 5 EGBERN CCC[C@H](Oc1c(Br)cccc1[N+](=O)[O-])C(=O)OCC ZINC000216254898 1296119689 /nfs/dbraw/zinc/11/96/89/1296119689.db2.gz CKLUFISXDGHEHD-NSHDSACASA-N 0 0 346.177 3.468 10 5 EGBERN CCOC(=O)c1nc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)sc1C ZINC000221940543 1296128791 /nfs/dbraw/zinc/12/87/91/1296128791.db2.gz WYWRRCMOWLKHKV-ALCCZGGFSA-N 0 0 334.353 3.412 10 5 EGBERN C[C@H](C(=O)NC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000871168860 1296256495 /nfs/dbraw/zinc/25/64/95/1296256495.db2.gz IULZUNVMPSOBGL-NHYWBVRUSA-N 0 0 338.379 3.301 10 5 EGBERN CC(C)(C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000871296620 1296327478 /nfs/dbraw/zinc/32/74/78/1296327478.db2.gz CFKYEEQTIGEWCR-PBHICJAKSA-N 0 0 346.427 3.194 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871330451 1296354583 /nfs/dbraw/zinc/35/45/83/1296354583.db2.gz AEINGUBRSQDMTB-KRWDZBQOSA-N 0 0 332.400 3.088 10 5 EGBERN C/C(=C\C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000871583788 1296442385 /nfs/dbraw/zinc/44/23/85/1296442385.db2.gz XOJJTRFAHMWPNE-GRNBYLDVSA-N 0 0 344.411 3.321 10 5 EGBERN C[C@@H](SCc1cn(C[C@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000871715904 1296497273 /nfs/dbraw/zinc/49/72/73/1296497273.db2.gz HWRUOLZYNPUENU-CHWSQXEVSA-N 0 0 348.428 3.217 10 5 EGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000871756627 1296520286 /nfs/dbraw/zinc/52/02/86/1296520286.db2.gz XWXNJGFXGAAXGI-CABZTGNLSA-N 0 0 347.293 3.168 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCCc2cccnc21 ZINC000872293653 1296901221 /nfs/dbraw/zinc/90/12/21/1296901221.db2.gz DJPMBUZAQBZGBB-UHFFFAOYSA-N 0 0 325.368 3.292 10 5 EGBERN COc1cccc(C(=O)O[C@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000873576768 1297602213 /nfs/dbraw/zinc/60/22/13/1297602213.db2.gz PSJIRRLDHGUZPQ-LBPRGKRZSA-N 0 0 335.356 3.252 10 5 EGBERN O=C(COc1ccccc1[N+](=O)[O-])O[C@H]1CCOC2(CCCC2)C1 ZINC000873580966 1297605788 /nfs/dbraw/zinc/60/57/88/1297605788.db2.gz MZBTUDKSPWPQRL-ZDUSSCGKSA-N 0 0 335.356 3.009 10 5 EGBERN CC[C@H](CCc1cccnc1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000873585445 1297612114 /nfs/dbraw/zinc/61/21/14/1297612114.db2.gz DIVHNFBYYIZOIE-OAHLLOKOSA-N 0 0 344.367 3.323 10 5 EGBERN Cc1nc(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000875423355 1298334803 /nfs/dbraw/zinc/33/48/03/1298334803.db2.gz LGESKJFFYKIPMC-ZBFHGGJFSA-N 0 0 341.367 3.027 10 5 EGBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCCCCCC1 ZINC000877942731 1299658137 /nfs/dbraw/zinc/65/81/37/1299658137.db2.gz OPCIIFIKINBANB-UHFFFAOYSA-N 0 0 334.372 3.162 10 5 EGBERN CCCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C(C)C ZINC000882651997 1302046411 /nfs/dbraw/zinc/04/64/11/1302046411.db2.gz LYXROQLDILDIKJ-UHFFFAOYSA-N 0 0 346.387 3.342 10 5 EGBERN C[C@H](NC(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000883715439 1302562574 /nfs/dbraw/zinc/56/25/74/1302562574.db2.gz KWEGQAPWQCKLES-SWLSCSKDSA-N 0 0 333.388 3.057 10 5 EGBERN COc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cc2sc(=O)oc21 ZINC000885981016 1303308931 /nfs/dbraw/zinc/30/89/31/1303308931.db2.gz IZQSFBCXHYTEQC-IHWYPQMZSA-N 0 0 330.321 3.337 10 5 EGBERN C/C(=C/C(=O)N1CC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000888017050 1304014119 /nfs/dbraw/zinc/01/41/19/1304014119.db2.gz FKPHZYUDYSBRHO-CUZBXDDWSA-N 0 0 328.290 3.409 10 5 EGBERN Cc1nc(C2CCC2)sc1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000888552398 1304191652 /nfs/dbraw/zinc/19/16/52/1304191652.db2.gz LNDUOOYBAMYRRS-UHFFFAOYSA-N 0 0 345.424 3.486 10 5 EGBERN C/C(=C/C(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000890172451 1304691653 /nfs/dbraw/zinc/69/16/53/1304691653.db2.gz PHTJOMAYLYJUTK-XGZAABKCSA-N 0 0 342.395 3.074 10 5 EGBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@]12CCC[C@H]1OCC2 ZINC000892640279 1305485149 /nfs/dbraw/zinc/48/51/49/1305485149.db2.gz UAKHKZHVMCZUPO-PBHICJAKSA-N 0 0 327.340 3.041 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(C)c1Cl ZINC000892960088 1305627407 /nfs/dbraw/zinc/62/74/07/1305627407.db2.gz NGVJCSUTLZJOMQ-NSHDSACASA-N 0 0 336.779 3.189 10 5 EGBERN C[C@]1(c2ccccc2)C[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000893305508 1305816851 /nfs/dbraw/zinc/81/68/51/1305816851.db2.gz SIYJOPPGEBGIAM-JMRUKAPWSA-N 0 0 341.367 3.016 10 5 EGBERN CCNc1ccc(C(=O)NCC(C)(C)CC(F)F)cc1[N+](=O)[O-] ZINC000893376758 1305857271 /nfs/dbraw/zinc/85/72/71/1305857271.db2.gz FLBPWNWMYFMIJV-UHFFFAOYSA-N 0 0 329.347 3.438 10 5 EGBERN COc1cc(C(=O)O[C@H]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000893495935 1305928988 /nfs/dbraw/zinc/92/89/88/1305928988.db2.gz WELQSHYUKRAOCJ-HIFRSBDPSA-N 0 0 337.372 3.211 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC2(CCC2)O1 ZINC000893911264 1306125447 /nfs/dbraw/zinc/12/54/47/1306125447.db2.gz NINUSLADZAYXDQ-CYBMUJFWSA-N 0 0 338.791 3.009 10 5 EGBERN CCc1[nH]c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)OC ZINC000894315739 1306339192 /nfs/dbraw/zinc/33/91/92/1306339192.db2.gz HZNJWVYPSQQPAS-GFCCVEGCSA-N 0 0 345.399 3.431 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894706437 1309030241 /nfs/dbraw/zinc/03/02/41/1309030241.db2.gz WRBMCOBXTDPCLZ-JLNOUXKISA-N 0 0 330.384 3.026 10 5 EGBERN CC(=O)c1ccc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000895446976 1309340668 /nfs/dbraw/zinc/34/06/68/1309340668.db2.gz VKUAIXSBPIEEGC-GWCFXTLKSA-N 0 0 332.278 3.319 10 5 EGBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000895741591 1309498243 /nfs/dbraw/zinc/49/82/43/1309498243.db2.gz KAJWKTCMAHLIGT-UHFFFAOYSA-N 0 0 343.170 3.310 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(Cl)c1 ZINC000896083928 1309692864 /nfs/dbraw/zinc/69/28/64/1309692864.db2.gz DYYGIJDMTWXPPM-FDOIEUKUSA-N 0 0 333.171 3.117 10 5 EGBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)[C@@H]2C1 ZINC000897018593 1310139160 /nfs/dbraw/zinc/13/91/60/1310139160.db2.gz GITDEVDFLTXRID-FKGLVLAHSA-N 0 0 341.367 3.143 10 5 EGBERN C[C@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H]1F ZINC000897331945 1310295256 /nfs/dbraw/zinc/29/52/56/1310295256.db2.gz XJMHKMZATGHSHL-IINYFYTJSA-N 0 0 331.347 3.150 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000897542041 1310372148 /nfs/dbraw/zinc/37/21/48/1310372148.db2.gz DNALMIHTZWYIML-NEPJUHHUSA-N 0 0 329.356 3.287 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000897563747 1310382252 /nfs/dbraw/zinc/38/22/52/1310382252.db2.gz KWZWEAKYJKMBEA-CABCVRRESA-N 0 0 332.400 3.440 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc3n(n2)CCCC3)c1C ZINC000898389831 1310705582 /nfs/dbraw/zinc/70/55/82/1310705582.db2.gz RJKOTCPVGPRANP-CYBMUJFWSA-N 0 0 342.399 3.235 10 5 EGBERN Cn1nccc1[C@H]1CCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000929208475 1328536315 /nfs/dbraw/zinc/53/63/15/1328536315.db2.gz BQUGHRJGRBAIAW-CYBMUJFWSA-N 0 0 349.778 3.351 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000857578642 1328552467 /nfs/dbraw/zinc/55/24/67/1328552467.db2.gz OJPKADVAJMQFBE-CQSZACIVSA-N 0 0 335.356 3.177 10 5 EGBERN CO[C@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000857599565 1328560106 /nfs/dbraw/zinc/56/01/06/1328560106.db2.gz FTBONOXKEAFIJR-WPRPVWTQSA-N 0 0 343.177 3.111 10 5 EGBERN C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000929346259 1328575720 /nfs/dbraw/zinc/57/57/20/1328575720.db2.gz QIOAFRNXTLJFKI-NSHDSACASA-N 0 0 333.775 3.453 10 5 EGBERN CCNc1ccc(C(=O)NCC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857688864 1328584673 /nfs/dbraw/zinc/58/46/73/1328584673.db2.gz QTBRXJHMLVRTCR-JTQLQIEISA-N 0 0 346.214 3.340 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC000929487091 1328612846 /nfs/dbraw/zinc/61/28/46/1328612846.db2.gz DJWKGYZFBIXPLR-UHFFFAOYSA-N 0 0 335.360 3.250 10 5 EGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000899537416 1317078034 /nfs/dbraw/zinc/07/80/34/1317078034.db2.gz QHKXTPLVUVFRLI-NSHDSACASA-N 0 0 346.774 3.058 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899681929 1317133680 /nfs/dbraw/zinc/13/36/80/1317133680.db2.gz TUHGGCBPDDIDAL-UHFFFAOYSA-N 0 0 332.400 3.027 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000858287583 1328730461 /nfs/dbraw/zinc/73/04/61/1328730461.db2.gz DNHYFQCTBDZXCG-KRWDZBQOSA-N 0 0 338.363 3.223 10 5 EGBERN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000930099461 1328784977 /nfs/dbraw/zinc/78/49/77/1328784977.db2.gz LAJBVXLVVGSDIW-BXUZGUMPSA-N 0 0 330.306 3.063 10 5 EGBERN C[C@@H](OC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000913302364 1319001122 /nfs/dbraw/zinc/00/11/22/1319001122.db2.gz XUACRJWCVRRLFX-SNVBAGLBSA-N 0 0 327.296 3.496 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(c2ccccn2)C1 ZINC000913372160 1319016299 /nfs/dbraw/zinc/01/62/99/1319016299.db2.gz FKYUYNGKDXYYSK-LBPRGKRZSA-N 0 0 343.408 3.096 10 5 EGBERN Cc1cc(Cl)c(C(=O)N2CC(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000913381708 1319019314 /nfs/dbraw/zinc/01/93/14/1319019314.db2.gz GVAZKKHHXXLGGG-UHFFFAOYSA-N 0 0 331.759 3.191 10 5 EGBERN COCCC[C@@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384720 1319020119 /nfs/dbraw/zinc/02/01/19/1319020119.db2.gz COIAQLUJLZOZFS-SECBINFHSA-N 0 0 332.759 3.066 10 5 EGBERN CC[C@@H]1C[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000913385275 1319020590 /nfs/dbraw/zinc/02/05/90/1319020590.db2.gz VTMQNSJATAOMMO-WDEREUQCSA-N 0 0 344.770 3.209 10 5 EGBERN O=C(CC1(O)CCCCC1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385306 1319020625 /nfs/dbraw/zinc/02/06/25/1319020625.db2.gz XGODMWFYRDSLLA-UHFFFAOYSA-N 0 0 344.770 3.089 10 5 EGBERN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386059 1319021151 /nfs/dbraw/zinc/02/11/51/1319021151.db2.gz MMTGWKVLYXJOEC-VWYCJHECSA-N 0 0 326.755 3.440 10 5 EGBERN CNc1nccc(C(=O)N(c2ccccc2)C2CCC2)c1[N+](=O)[O-] ZINC000913673508 1319094438 /nfs/dbraw/zinc/09/44/38/1319094438.db2.gz IMOIJLXZAVNELD-UHFFFAOYSA-N 0 0 326.356 3.231 10 5 EGBERN COCC1(N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000913818748 1319134955 /nfs/dbraw/zinc/13/49/55/1319134955.db2.gz MLEJXFSXTTXOEY-UHFFFAOYSA-N 0 0 340.807 3.208 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)CC(F)F)c1 ZINC000914374461 1319312604 /nfs/dbraw/zinc/31/26/04/1319312604.db2.gz DRNOVNOOINUGCW-UHFFFAOYSA-N 0 0 344.358 3.470 10 5 EGBERN CC(C)(CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CC(F)F ZINC000914378295 1319313967 /nfs/dbraw/zinc/31/39/67/1319313967.db2.gz XHTDKCUIDLFMDK-UHFFFAOYSA-N 0 0 335.738 3.242 10 5 EGBERN Cc1nn(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000915322826 1319467928 /nfs/dbraw/zinc/46/79/28/1319467928.db2.gz VIDVKTACUAQWJN-OLZOCXBDSA-N 0 0 338.408 3.102 10 5 EGBERN COC(=O)C1=CC[C@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000858691979 1328832580 /nfs/dbraw/zinc/83/25/80/1328832580.db2.gz NYDNTHPXHQHKFB-VIFPVBQESA-N 0 0 341.161 3.031 10 5 EGBERN O=C(OC[C@@H]1CC=CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915804874 1319538720 /nfs/dbraw/zinc/53/87/20/1319538720.db2.gz XLVYDWJNCKGLII-CYBMUJFWSA-N 0 0 327.340 3.294 10 5 EGBERN C[C@H](NS(=O)(=O)CCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000915969156 1319573095 /nfs/dbraw/zinc/57/30/95/1319573095.db2.gz GRLJMFPXLVYCPF-JTQLQIEISA-N 0 0 336.360 3.011 10 5 EGBERN CCOC(=O)C1=CC[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000858737407 1328846405 /nfs/dbraw/zinc/84/64/05/1328846405.db2.gz XOUGIAHRXHFPBP-CYBMUJFWSA-N 0 0 327.340 3.207 10 5 EGBERN CC(C)C[NH+]1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000917040598 1319742792 /nfs/dbraw/zinc/74/27/92/1319742792.db2.gz OHEUNQZDYXCRSU-XQRVVYSFSA-N 0 0 347.415 3.225 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@]2(C)C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000858801111 1328863538 /nfs/dbraw/zinc/86/35/38/1328863538.db2.gz ZWJDNUJGQQHZMF-CULMDFNYSA-N 0 0 335.360 3.152 10 5 EGBERN CCCc1cncc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000859297421 1328964376 /nfs/dbraw/zinc/96/43/76/1328964376.db2.gz DVWXUWQHIZWTTJ-UHFFFAOYSA-N 0 0 342.398 3.080 10 5 EGBERN O=C(Cc1coc2cc(O)ccc12)OCCc1ccc([N+](=O)[O-])cc1 ZINC000918827233 1322000203 /nfs/dbraw/zinc/00/02/03/1322000203.db2.gz UTDVWDHNCZJWCR-UHFFFAOYSA-N 0 0 341.319 3.375 10 5 EGBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000918907394 1322011467 /nfs/dbraw/zinc/01/14/67/1322011467.db2.gz BFGAQXFQLBAXRT-MRXNPFEDSA-N 0 0 347.754 3.338 10 5 EGBERN C[C@H](Oc1ccc(F)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918972356 1322017267 /nfs/dbraw/zinc/01/72/67/1322017267.db2.gz IXLHKCNMCJQRIA-VIFPVBQESA-N 0 0 325.317 3.306 10 5 EGBERN O=C(C=C(C1CC1)C1CC1)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859513790 1329005152 /nfs/dbraw/zinc/00/51/52/1329005152.db2.gz CYFZAACBSHYLEI-UHFFFAOYSA-N 0 0 333.315 3.206 10 5 EGBERN CO[C@@H](COc1cc(Cl)c([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000920243533 1322153824 /nfs/dbraw/zinc/15/38/24/1322153824.db2.gz IABADHSJBTXDET-OQPBUACISA-N 0 0 336.171 3.332 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3CC4(CCC4)CO3)n2)c1 ZINC000920416907 1322175421 /nfs/dbraw/zinc/17/54/21/1322175421.db2.gz FWWZYOSAOHYEPB-ZDUSSCGKSA-N 0 0 348.790 3.466 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000921420115 1322311437 /nfs/dbraw/zinc/31/14/37/1322311437.db2.gz UVJZLWPUTLSGQX-MWLCHTKSSA-N 0 0 343.836 3.332 10 5 EGBERN CCSc1ccccc1COC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000922647080 1322579250 /nfs/dbraw/zinc/57/92/50/1322579250.db2.gz KGJBTHHRAJLDLP-UHFFFAOYSA-N 0 0 335.385 3.280 10 5 EGBERN CCO[C@@H](COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000859634626 1329041674 /nfs/dbraw/zinc/04/16/74/1329041674.db2.gz GVPDDSDZACDSCB-LBPRGKRZSA-N 0 0 331.727 3.359 10 5 EGBERN C[C@@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000923318867 1322733141 /nfs/dbraw/zinc/73/31/41/1322733141.db2.gz LBIBBEJKISHZOJ-SKDRFNHKSA-N 0 0 327.331 3.246 10 5 EGBERN C[C@H](OC(=O)C1(C2CC2)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923331732 1322734811 /nfs/dbraw/zinc/73/48/11/1322734811.db2.gz FRNONNUXUKNUHN-NSHDSACASA-N 0 0 332.356 3.045 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000923421578 1322748406 /nfs/dbraw/zinc/74/84/06/1322748406.db2.gz HBIKBTDZUKFWQY-ZDUSSCGKSA-N 0 0 349.383 3.386 10 5 EGBERN Cc1nnc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000923594714 1322779470 /nfs/dbraw/zinc/77/94/70/1322779470.db2.gz NYWZRLOCNWIVEA-UHFFFAOYSA-N 0 0 341.776 3.084 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1CCc1nc(C2CCOCC2)no1 ZINC000923870693 1322829639 /nfs/dbraw/zinc/82/96/39/1322829639.db2.gz LVIWVXRYACOABV-UHFFFAOYSA-N 0 0 337.763 3.310 10 5 EGBERN Cc1nsc(C)c1COC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923961429 1322856930 /nfs/dbraw/zinc/85/69/30/1322856930.db2.gz JMGABNQCKIZCIV-UHFFFAOYSA-N 0 0 338.360 3.483 10 5 EGBERN Cc1nc(C)c(COC(=O)CCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000923962961 1322857568 /nfs/dbraw/zinc/85/75/68/1322857568.db2.gz LHUGTSRAMWFGJS-UHFFFAOYSA-N 0 0 338.360 3.483 10 5 EGBERN Cc1ccnc(COC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000923966660 1322858166 /nfs/dbraw/zinc/85/81/66/1322858166.db2.gz IPCLPCXJUWIBFD-UHFFFAOYSA-N 0 0 335.747 3.023 10 5 EGBERN C[C@H](OC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)C1CC1 ZINC000923967818 1322859360 /nfs/dbraw/zinc/85/93/60/1322859360.db2.gz RQTZKPQFGSZCPI-VIFPVBQESA-N 0 0 325.748 3.092 10 5 EGBERN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000924021897 1322875843 /nfs/dbraw/zinc/87/58/43/1322875843.db2.gz KWEGQAPWQCKLES-DOMZBBRYSA-N 0 0 333.388 3.057 10 5 EGBERN CCO[C@H](COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1 ZINC000859720573 1329063817 /nfs/dbraw/zinc/06/38/17/1329063817.db2.gz QPKSEGAVDODKCY-MRXNPFEDSA-N 0 0 337.372 3.354 10 5 EGBERN Cc1c(NC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000924493907 1323037651 /nfs/dbraw/zinc/03/76/51/1323037651.db2.gz MHLVACQXJHGSQU-SKDRFNHKSA-N 0 0 347.293 3.135 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccc2c1CCCC2 ZINC000924526724 1323043290 /nfs/dbraw/zinc/04/32/90/1323043290.db2.gz XGBUDKHKPPIDRR-UHFFFAOYSA-N 0 0 340.383 3.499 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCS[C@H](C)C1 ZINC000931262194 1329081384 /nfs/dbraw/zinc/08/13/84/1329081384.db2.gz NMOVTMPPWZFPPM-MNOVXSKESA-N 0 0 339.417 3.399 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@H](C)c2ccco2)c1 ZINC000859816213 1329084658 /nfs/dbraw/zinc/08/46/58/1329084658.db2.gz YPBYMQJLKVYUGU-NSHDSACASA-N 0 0 347.323 3.211 10 5 EGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCOC12CCCC2 ZINC000931296429 1329088094 /nfs/dbraw/zinc/08/80/94/1329088094.db2.gz GKHXPVFUXDHJAK-LBPRGKRZSA-N 0 0 339.779 3.471 10 5 EGBERN C[C@H]1C(=O)CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000931334750 1329096644 /nfs/dbraw/zinc/09/66/44/1329096644.db2.gz PJJQFDNAPAYZBC-NSHDSACASA-N 0 0 333.388 3.478 10 5 EGBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccsc1 ZINC000860164442 1329163320 /nfs/dbraw/zinc/16/33/20/1329163320.db2.gz IFXBZSUUTPVRCE-LSDHHAIUSA-N 0 0 333.365 3.382 10 5 EGBERN O=C(COC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000860164314 1329163385 /nfs/dbraw/zinc/16/33/85/1329163385.db2.gz JBADRJHNHIJHOF-UONOGXRCSA-N 0 0 331.349 3.186 10 5 EGBERN Cc1noc(COC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000860148041 1329159307 /nfs/dbraw/zinc/15/93/07/1329159307.db2.gz XTTJGEGEKMWWHI-OLZOCXBDSA-N 0 0 334.303 3.267 10 5 EGBERN Cc1ccnc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000926103768 1325427631 /nfs/dbraw/zinc/42/76/31/1325427631.db2.gz WFDYHJZLVPOBLX-UHFFFAOYSA-N 0 0 326.356 3.226 10 5 EGBERN O=C(NCC[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860584247 1329333231 /nfs/dbraw/zinc/33/32/31/1329333231.db2.gz ICDBMSLQSNXGPN-JTQLQIEISA-N 0 0 327.768 3.186 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1O ZINC000860620893 1329336887 /nfs/dbraw/zinc/33/68/87/1329336887.db2.gz ZRINMQHMWSXPLC-DGCLKSJQSA-N 0 0 340.807 3.117 10 5 EGBERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860847581 1329362123 /nfs/dbraw/zinc/36/21/23/1329362123.db2.gz AYBLUBPKXDQKGB-KBXCAEBGSA-N 0 0 340.379 3.435 10 5 EGBERN Cc1cnc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000926766345 1327706447 /nfs/dbraw/zinc/70/64/47/1327706447.db2.gz VGTHCOICXOGWLH-UHFFFAOYSA-N 0 0 342.399 3.341 10 5 EGBERN C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000927236916 1327924841 /nfs/dbraw/zinc/92/48/41/1327924841.db2.gz QNDLUGDTNFQRFL-VXGBXAGGSA-N 0 0 337.445 3.413 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCS[C@@H](C)C1 ZINC000927254888 1327934069 /nfs/dbraw/zinc/93/40/69/1327934069.db2.gz ZOXPYVWTCNXBOI-UWVGGRQHSA-N 0 0 325.390 3.009 10 5 EGBERN CC[C@@H]1OCC[C@H]1C(=O)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000861179838 1329394965 /nfs/dbraw/zinc/39/49/65/1329394965.db2.gz OAEJDRRXQPXEGX-KOLCDFICSA-N 0 0 344.161 3.078 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000928090786 1328195679 /nfs/dbraw/zinc/19/56/79/1328195679.db2.gz UWFGZCXJPOUCQM-GUYCJALGSA-N 0 0 344.342 3.413 10 5 EGBERN CC(C)(C)OC[C@@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928240192 1328250295 /nfs/dbraw/zinc/25/02/95/1328250295.db2.gz IUXLGNNJMOMHFQ-INIZCTEOSA-N 0 0 334.416 3.334 10 5 EGBERN COC(C)(C)[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928594893 1328368171 /nfs/dbraw/zinc/36/81/71/1328368171.db2.gz JPELQPNDRHTSGA-SNVBAGLBSA-N 0 0 349.412 3.262 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[C@]1(C)Br ZINC000861762166 1329440040 /nfs/dbraw/zinc/44/00/40/1329440040.db2.gz FNTRFSCCCYIEFY-RNCFNFMXSA-N 0 0 327.178 3.324 10 5 EGBERN O=C(N[C@@H](CO)C1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861781605 1329441445 /nfs/dbraw/zinc/44/14/45/1329441445.db2.gz QETKXUTWBVXUJJ-KRWDZBQOSA-N 0 0 328.368 3.029 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC000862204098 1329465285 /nfs/dbraw/zinc/46/52/85/1329465285.db2.gz XKSMPFZLXFMADT-WFASDCNBSA-N 0 0 328.368 3.435 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccco3)C2)cc1Cl ZINC000862865567 1329516228 /nfs/dbraw/zinc/51/62/28/1329516228.db2.gz DQUOBXNELDOTNG-UHFFFAOYSA-N 0 0 334.759 3.464 10 5 EGBERN C/C(=C\C(=O)N1CC(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000862865156 1329516358 /nfs/dbraw/zinc/51/63/58/1329516358.db2.gz OOKJCKSPHDFZAD-UKTHLTGXSA-N 0 0 326.352 3.292 10 5 EGBERN O=[N+]([O-])c1ccc2nc(SCCOC3CCOCC3)sc2c1 ZINC000863228832 1329536698 /nfs/dbraw/zinc/53/66/98/1329536698.db2.gz NORHEOLMXCNSNW-UHFFFAOYSA-N 0 0 340.426 3.492 10 5 EGBERN C/C=C/C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340407 1329548296 /nfs/dbraw/zinc/54/82/96/1329548296.db2.gz KKYZSDAXYVKVID-XYBNCVKDSA-N 0 0 341.415 3.489 10 5 EGBERN C[C@@H]1C[C@H]1COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000863348178 1329549090 /nfs/dbraw/zinc/54/90/90/1329549090.db2.gz ZVJZFEUTHPOUNV-RQJHMYQMSA-N 0 0 331.122 3.300 10 5 EGBERN C[C@@H]1C[C@@H]1COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000863348177 1329549158 /nfs/dbraw/zinc/54/91/58/1329549158.db2.gz ZVJZFEUTHPOUNV-RNFRBKRXSA-N 0 0 331.122 3.300 10 5 EGBERN Nc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000863506768 1329559483 /nfs/dbraw/zinc/55/94/83/1329559483.db2.gz NOBXYFGRVKMIAX-UHFFFAOYSA-N 0 0 331.294 3.030 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccn(C(C)(C)C)c1=O ZINC000864445184 1329614874 /nfs/dbraw/zinc/61/48/74/1329614874.db2.gz PMCFCRKUCHNYEL-UHFFFAOYSA-N 0 0 343.383 3.381 10 5 EGBERN Cc1csc2nc(CC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn12 ZINC000864932344 1329653022 /nfs/dbraw/zinc/65/30/22/1329653022.db2.gz YDWYXCVDFTZFHS-NSHDSACASA-N 0 0 344.396 3.032 10 5 EGBERN O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCC23CCOCC3)cc1 ZINC000865265075 1329681289 /nfs/dbraw/zinc/68/12/89/1329681289.db2.gz RCRHFWMZEHPXBR-LBPRGKRZSA-N 0 0 335.429 3.088 10 5 EGBERN CC1(C)C[C@@H](SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000865371915 1329689778 /nfs/dbraw/zinc/68/97/78/1329689778.db2.gz IMTZRFISVWKVSK-SNVBAGLBSA-N 0 0 335.385 3.446 10 5 EGBERN CCC[C@@H](O)CCCSCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000865381769 1329690337 /nfs/dbraw/zinc/69/03/37/1329690337.db2.gz NYQMAAGKGGSLCS-GFCCVEGCSA-N 0 0 344.408 3.347 10 5 EGBERN CC1(C)[C@H]2[C@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1O ZINC000866002316 1329758172 /nfs/dbraw/zinc/75/81/72/1329758172.db2.gz SSYDSGWREIQOJR-MAZHCROVSA-N 0 0 327.384 3.129 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2[C@H](O)c2ccccc2)c(Cl)c1 ZINC000866054092 1330060209 /nfs/dbraw/zinc/06/02/09/1330060209.db2.gz XAFMUVFPQRSKTO-HUUCEWRRSA-N 0 0 333.775 3.346 10 5 EGBERN CCC(=O)c1ccc(N2CCO[C@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000866063558 1330061331 /nfs/dbraw/zinc/06/13/31/1330061331.db2.gz QMIYADONXBHJCI-AWEZNQCLSA-N 0 0 328.315 3.048 10 5 EGBERN O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(C(F)F)c1 ZINC000866075709 1330062428 /nfs/dbraw/zinc/06/24/28/1330062428.db2.gz APAVICNCMSUNIE-OIBJUYFYSA-N 0 0 340.248 3.139 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](OC4CCC4)CC3)c21 ZINC000866146124 1330070572 /nfs/dbraw/zinc/07/05/72/1330070572.db2.gz GELAPDSYSDYCIR-CQSZACIVSA-N 0 0 342.399 3.466 10 5 EGBERN NC(=O)c1cc(N2CCC[C@@](F)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000866148946 1330070680 /nfs/dbraw/zinc/07/06/80/1330070680.db2.gz BJYLOBBZZNFEOX-SFHVURJKSA-N 0 0 343.358 3.159 10 5 EGBERN O=[N+]([O-])c1cc(F)c(N2Cc3cccnc3N3CCC[C@@H]3C2)c(F)c1 ZINC000866157143 1330071405 /nfs/dbraw/zinc/07/14/05/1330071405.db2.gz IWOIDZAKAKJGBH-GFCCVEGCSA-N 0 0 346.337 3.257 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC23CCOCC3)c1 ZINC000866175954 1330073782 /nfs/dbraw/zinc/07/37/82/1330073782.db2.gz YCUCIZLTOVSKDK-CYBMUJFWSA-N 0 0 334.372 3.000 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866175639 1330073863 /nfs/dbraw/zinc/07/38/63/1330073863.db2.gz XMZWCVNAFPLCNR-ZDUSSCGKSA-N 0 0 343.383 3.141 10 5 EGBERN CCc1nn(C)c(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000866178175 1330074124 /nfs/dbraw/zinc/07/41/24/1330074124.db2.gz ORANHCRZHFGVKG-VHSXEESVSA-N 0 0 332.326 3.447 10 5 EGBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC000866180645 1330074443 /nfs/dbraw/zinc/07/44/43/1330074443.db2.gz VBVWGPVXBLUJTF-QWRGUYRKSA-N 0 0 334.401 3.074 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC(c3nc(C4CCC4)no3)CC2)s1 ZINC000866198815 1330077228 /nfs/dbraw/zinc/07/72/28/1330077228.db2.gz AFNIQXMFRLJAQB-UHFFFAOYSA-N 0 0 335.389 3.086 10 5 EGBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CSC[C@H]3C2)c(OC(F)F)c1 ZINC000866201234 1330077831 /nfs/dbraw/zinc/07/78/31/1330077831.db2.gz LQGXANVHTJDOPK-NXEZZACHSA-N 0 0 330.356 3.386 10 5 EGBERN COc1ccc([C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)cc1 ZINC000866235376 1330082313 /nfs/dbraw/zinc/08/23/13/1330082313.db2.gz BXPJVYSNTAWNFC-INIZCTEOSA-N 0 0 332.331 3.320 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000866253187 1330085575 /nfs/dbraw/zinc/08/55/75/1330085575.db2.gz GDIIXZLFUZLGOJ-AWEZNQCLSA-N 0 0 328.347 3.118 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NCC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000868340265 1330272462 /nfs/dbraw/zinc/27/24/62/1330272462.db2.gz CSRISJQIFRKDQY-QWHCGFSZSA-N 0 0 337.445 3.407 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000868404056 1330277403 /nfs/dbraw/zinc/27/74/03/1330277403.db2.gz JZHHISVAXMVWJP-UCDYDWOKSA-N 0 0 327.384 3.027 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868673629 1330312026 /nfs/dbraw/zinc/31/20/26/1330312026.db2.gz WJBKXVFTHWUCCD-NVXWUHKLSA-N 0 0 349.431 3.154 10 5 EGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868682478 1330314287 /nfs/dbraw/zinc/31/42/87/1330314287.db2.gz DBTHCNZOJALMCI-MWLCHTKSSA-N 0 0 348.296 3.466 10 5 EGBERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869053844 1330404096 /nfs/dbraw/zinc/40/40/96/1330404096.db2.gz VKPPWQVMQGBMKM-MRXNPFEDSA-N 0 0 349.431 3.394 10 5 EGBERN Cc1ccc(CNC(=O)N2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000869054340 1330404157 /nfs/dbraw/zinc/40/41/57/1330404157.db2.gz JWIZMPLDESLBTF-NSHDSACASA-N 0 0 327.331 3.090 10 5 EGBERN COCc1sccc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000869807205 1330567513 /nfs/dbraw/zinc/56/75/13/1330567513.db2.gz MSNKWIISWAVQHT-UHFFFAOYSA-N 0 0 337.353 3.039 10 5 EGBERN CCO[C@@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000869876485 1330580638 /nfs/dbraw/zinc/58/06/38/1330580638.db2.gz CQXOIFFVNXUEDX-MLGOLLRUSA-N 0 0 337.372 3.031 10 5 EGBERN C[C@@H](C1CC1)N(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000869881070 1330581832 /nfs/dbraw/zinc/58/18/32/1330581832.db2.gz OWFSYSCMPJRZHR-UGSOOPFHSA-N 0 0 340.379 3.460 10 5 EGBERN C[C@@H](C1CC1)N(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000869881068 1330581888 /nfs/dbraw/zinc/58/18/88/1330581888.db2.gz OWFSYSCMPJRZHR-SCLBCKFNSA-N 0 0 340.379 3.460 10 5 EGBERN CNC(=O)c1ccc(SC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001184945609 1387568650 /nfs/dbraw/zinc/56/86/50/1387568650.db2.gz BONUWRTYMQCEHI-QMMMGPOBSA-N 0 0 335.212 3.240 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)OCC2CCC(O)CC2)cc1Cl ZINC001324726497 1387753048 /nfs/dbraw/zinc/75/30/48/1387753048.db2.gz QBXUVTZKZMYVEV-UHFFFAOYSA-N 0 0 327.764 3.265 10 5 EGBERN CSc1cc(C)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001185775209 1387795914 /nfs/dbraw/zinc/79/59/14/1387795914.db2.gz FIMSBEFCHBEPPO-UHFFFAOYSA-N 0 0 331.397 3.336 10 5 EGBERN O=c1[nH]ccc(NCCc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC001185784316 1387798682 /nfs/dbraw/zinc/79/86/82/1387798682.db2.gz BAACTBGVDSMCDB-UHFFFAOYSA-N 0 0 343.261 3.249 10 5 EGBERN Cc1cc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)ncc1[N+](=O)[O-] ZINC001105435787 1366467212 /nfs/dbraw/zinc/46/72/12/1366467212.db2.gz CUDNXQIJCYAPFK-CTYIDZIISA-N 0 0 348.447 3.019 10 5 EGBERN COc1cc(NCCOc2ncccc2F)c(Cl)cc1[N+](=O)[O-] ZINC001185848882 1387814163 /nfs/dbraw/zinc/81/41/63/1387814163.db2.gz QUJZSBGALMLWRZ-UHFFFAOYSA-N 0 0 341.726 3.282 10 5 EGBERN C[C@H]1OCC[C@@H]1Sc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186014045 1387845632 /nfs/dbraw/zinc/84/56/32/1387845632.db2.gz FJFPXHHWTWTZAX-OQPBUACISA-N 0 0 335.341 3.321 10 5 EGBERN C[C@@H]1OCC[C@@H]1Sc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186014046 1387845734 /nfs/dbraw/zinc/84/57/34/1387845734.db2.gz FJFPXHHWTWTZAX-SDBXPKJASA-N 0 0 335.341 3.321 10 5 EGBERN O=[N+]([O-])c1ncccc1COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC001189667319 1367081735 /nfs/dbraw/zinc/08/17/35/1367081735.db2.gz NDIHBPFQDWPWPP-UHFFFAOYSA-N 0 0 347.180 3.033 10 5 EGBERN COC(=O)[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1C ZINC001186130879 1387875728 /nfs/dbraw/zinc/87/57/28/1387875728.db2.gz IKJWZMAFUNNVMD-WPRPVWTQSA-N 0 0 332.278 3.001 10 5 EGBERN C[Si](C)(CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC001186174904 1387890437 /nfs/dbraw/zinc/89/04/37/1387890437.db2.gz IQXVSIIDBPTYIE-UHFFFAOYSA-N 0 0 344.472 3.166 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC001192867995 1367891686 /nfs/dbraw/zinc/89/16/86/1367891686.db2.gz DUEZOKIVCINXSH-SMDDNHRTSA-N 0 0 330.306 3.376 10 5 EGBERN C[C@@H](C1CC1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC001196937364 1368717131 /nfs/dbraw/zinc/71/71/31/1368717131.db2.gz YGVAEGDOOPHRTI-ZDUSSCGKSA-N 0 0 339.395 3.499 10 5 EGBERN CC[C@]1(CNc2c(Cl)cncc2[N+](=O)[O-])OCCc2ccccc21 ZINC001186639548 1387992662 /nfs/dbraw/zinc/99/26/62/1387992662.db2.gz IBFNLMDVFNCPLQ-QGZVFWFLSA-N 0 0 347.802 3.355 10 5 EGBERN O=C(OCc1ccccc1)N1CC(Nc2ccccc2[N+](=O)[O-])C1 ZINC001186675828 1387997450 /nfs/dbraw/zinc/99/74/50/1387997450.db2.gz QXOZKCLKYNOTLW-UHFFFAOYSA-N 0 0 327.340 3.028 10 5 EGBERN O=C1NCCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H]1CC1CCCCC1 ZINC001186738889 1388002214 /nfs/dbraw/zinc/00/22/14/1388002214.db2.gz HNXSOVCGEIIMDR-MRXNPFEDSA-N 0 0 335.379 3.009 10 5 EGBERN CCOC(=O)C(CC)(CC)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001187234322 1388078632 /nfs/dbraw/zinc/07/86/32/1388078632.db2.gz XNTAUPOLBXNCND-UHFFFAOYSA-N 0 0 345.399 3.346 10 5 EGBERN Cc1cnc(NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001187340400 1388096075 /nfs/dbraw/zinc/09/60/75/1388096075.db2.gz DMTYSPWGDROGJN-HAQNSBGRSA-N 0 0 336.392 3.013 10 5 EGBERN COc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001118529968 1371193099 /nfs/dbraw/zinc/19/30/99/1371193099.db2.gz WYBDWQXHEMLTLQ-YGRLFVJLSA-N 0 0 326.780 3.262 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118787703 1371228312 /nfs/dbraw/zinc/22/83/12/1371228312.db2.gz GDDBCYWRUYAABG-UTUOFQBUSA-N 0 0 339.342 3.190 10 5 EGBERN COc1ccc(OC)c([C@@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001187541707 1388122909 /nfs/dbraw/zinc/12/29/09/1388122909.db2.gz MSUFCLZNZGTPAY-SGTLLEGYSA-N 0 0 346.383 3.454 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118967650 1371256011 /nfs/dbraw/zinc/25/60/11/1371256011.db2.gz IPWGCNDQVFFWGU-JKSUJKDBSA-N 0 0 328.393 3.345 10 5 EGBERN Cc1c(Br)cccc1CCNc1ccncc1[N+](=O)[O-] ZINC001187568765 1388126724 /nfs/dbraw/zinc/12/67/24/1388126724.db2.gz SAOXOSDGZJRPOU-UHFFFAOYSA-N 0 0 336.189 3.137 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC001326295615 1388144858 /nfs/dbraw/zinc/14/48/58/1388144858.db2.gz KAELWLIXSQZBIE-ZDUSSCGKSA-N 0 0 348.346 3.326 10 5 EGBERN C[C@@H](CNc1nc(Cl)nc2nc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC001187752542 1388155514 /nfs/dbraw/zinc/15/55/14/1388155514.db2.gz URHAXUQNRAPPJH-QMMMGPOBSA-N 0 0 332.751 3.082 10 5 EGBERN CC(C)(C)OC(=O)CCCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC001326329754 1388155954 /nfs/dbraw/zinc/15/59/54/1388155954.db2.gz KQLHVOKFLHKXJY-UHFFFAOYSA-N 0 0 329.374 3.212 10 5 EGBERN O=[N+]([O-])c1ncccc1N1CC(Cc2ccc(Br)cc2)C1 ZINC001187792980 1388163534 /nfs/dbraw/zinc/16/35/34/1388163534.db2.gz WQHYZPGIQVZEIK-UHFFFAOYSA-N 0 0 348.200 3.431 10 5 EGBERN CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC001326400880 1388178022 /nfs/dbraw/zinc/17/80/22/1388178022.db2.gz MICFXMKJUUCWIV-CYBMUJFWSA-N 0 0 343.221 3.358 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)Cc1sc(C)nc1-c1cccs1 ZINC001123255597 1372408425 /nfs/dbraw/zinc/40/84/25/1372408425.db2.gz KOZIAWHDPNVJJI-SNVBAGLBSA-N 0 0 340.426 3.321 10 5 EGBERN C[C@H](O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001123354308 1372439670 /nfs/dbraw/zinc/43/96/70/1372439670.db2.gz PWOXKQZPSIODKZ-LBPRGKRZSA-N 0 0 343.383 3.373 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)NC1(CF)CCOCC1 ZINC001123445828 1372471967 /nfs/dbraw/zinc/47/19/67/1372471967.db2.gz BIIBFSIUSPONQS-UHFFFAOYSA-N 0 0 347.346 3.388 10 5 EGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc(C(F)(F)F)co1 ZINC001187986859 1388206252 /nfs/dbraw/zinc/20/62/52/1388206252.db2.gz GYYJUEKWZJIRCI-UHFFFAOYSA-N 0 0 340.213 3.003 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC001124120560 1372676567 /nfs/dbraw/zinc/67/65/67/1372676567.db2.gz UQVJAUQBFHRTBZ-BXUZGUMPSA-N 0 0 338.791 3.198 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001124126509 1372677552 /nfs/dbraw/zinc/67/75/52/1372677552.db2.gz AIXGKVQYIXPLSF-HOTGVXAUSA-N 0 0 342.370 3.271 10 5 EGBERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001124333983 1372692442 /nfs/dbraw/zinc/69/24/42/1372692442.db2.gz NLZKAQNHIKHUEX-OAHLLOKOSA-N 0 0 340.335 3.266 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnc(-c2ccccn2)n1 ZINC001124332603 1372692490 /nfs/dbraw/zinc/69/24/90/1372692490.db2.gz GUEZJKLYXTXWOH-UHFFFAOYSA-N 0 0 349.350 3.316 10 5 EGBERN Cc1ccc(NC(=O)c2c(Cl)nn(C)c2Cl)cc1[N+](=O)[O-] ZINC001124340896 1372693106 /nfs/dbraw/zinc/69/31/06/1372693106.db2.gz QZLZYAHYJRBCJS-UHFFFAOYSA-N 0 0 329.143 3.196 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001124404094 1372699059 /nfs/dbraw/zinc/69/90/59/1372699059.db2.gz WPTXFECQESIGKL-CXAGYDPISA-N 0 0 330.315 3.427 10 5 EGBERN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC001124516060 1372708165 /nfs/dbraw/zinc/70/81/65/1372708165.db2.gz GGUFABSKKQDCIH-UHFFFAOYSA-N 0 0 332.316 3.438 10 5 EGBERN O=C(c1cnccc1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001124643034 1372719002 /nfs/dbraw/zinc/71/90/02/1372719002.db2.gz VYBQTIXERNRTTE-UHFFFAOYSA-N 0 0 337.257 3.212 10 5 EGBERN Cc1cc(Cl)nc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001124748277 1372727447 /nfs/dbraw/zinc/72/74/47/1372727447.db2.gz UGRWMGNCRVDSAI-UHFFFAOYSA-N 0 0 327.674 3.482 10 5 EGBERN O=C(C[C@@H]1CSc2ccccc2O1)NCc1ccccc1[N+](=O)[O-] ZINC001125155414 1372757225 /nfs/dbraw/zinc/75/72/25/1372757225.db2.gz FSDLHPGYZMNZCN-CYBMUJFWSA-N 0 0 344.392 3.154 10 5 EGBERN COC(=O)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1C ZINC001125418248 1372784422 /nfs/dbraw/zinc/78/44/22/1372784422.db2.gz CJCFEGOTRFSECA-UHFFFAOYSA-N 0 0 329.308 3.047 10 5 EGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1nccc2occc21 ZINC001125791397 1372857206 /nfs/dbraw/zinc/85/72/06/1372857206.db2.gz MAQKKKVPIMQZGV-UHFFFAOYSA-N 0 0 349.306 3.174 10 5 EGBERN Cn1nc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1C(F)(F)F ZINC001125797030 1372859073 /nfs/dbraw/zinc/85/90/73/1372859073.db2.gz YYHOELPBAJHWEC-UHFFFAOYSA-N 0 0 348.668 3.253 10 5 EGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1(C)C ZINC001126453534 1372967041 /nfs/dbraw/zinc/96/70/41/1372967041.db2.gz WWYZIYHBOMGKHC-JKSUJKDBSA-N 0 0 334.416 3.487 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)/C=C/c2cccnc2C)cc1[N+](=O)[O-] ZINC001126533486 1372972891 /nfs/dbraw/zinc/97/28/91/1372972891.db2.gz USIKKGZXRAFAHI-VFNNOXKTSA-N 0 0 325.368 3.497 10 5 EGBERN CCc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001126532253 1372973059 /nfs/dbraw/zinc/97/30/59/1372973059.db2.gz KKDYEZCMLCVEKX-JTQLQIEISA-N 0 0 348.790 3.400 10 5 EGBERN O=C(c1ncc2cc(Cl)ccn21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126687998 1372999550 /nfs/dbraw/zinc/99/95/50/1372999550.db2.gz BFTGKDADWROHIC-UHFFFAOYSA-N 0 0 342.742 3.052 10 5 EGBERN CCOc1ccc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC001126692844 1372999825 /nfs/dbraw/zinc/99/98/25/1372999825.db2.gz VCNNTHJOIKFYIK-LBPRGKRZSA-N 0 0 347.371 3.193 10 5 EGBERN CCOc1ccc([C@H](C)OC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC001126768194 1373018616 /nfs/dbraw/zinc/01/86/16/1373018616.db2.gz QYGKGTSVDWYVKI-NSHDSACASA-N 0 0 333.344 3.128 10 5 EGBERN COc1cc(C(=O)N(C)[C@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC001126797353 1373027396 /nfs/dbraw/zinc/02/73/96/1373027396.db2.gz QIVLKLPKVHEHNT-LLVKDONJSA-N 0 0 334.397 3.368 10 5 EGBERN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1(C)C ZINC001126844217 1373040141 /nfs/dbraw/zinc/04/01/41/1373040141.db2.gz LOWHQOPEMKIXLH-HOTGVXAUSA-N 0 0 349.431 3.354 10 5 EGBERN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncccc1F ZINC001127340239 1373116499 /nfs/dbraw/zinc/11/64/99/1373116499.db2.gz ZYSHFNSYKPSNAI-UHFFFAOYSA-N 0 0 337.738 3.378 10 5 EGBERN Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001127376061 1373120919 /nfs/dbraw/zinc/12/09/19/1373120919.db2.gz KTHRKKDQGJUDJZ-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN Cc1cc(NC(=O)c2cnc(Br)s2)ccc1[N+](=O)[O-] ZINC001127463648 1373129038 /nfs/dbraw/zinc/12/90/38/1373129038.db2.gz YBUHWOHMOLSAMZ-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC001127864679 1373191696 /nfs/dbraw/zinc/19/16/96/1373191696.db2.gz DRNWNRCVXOMOBQ-NEPJUHHUSA-N 0 0 329.356 3.429 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC001128422826 1373265079 /nfs/dbraw/zinc/26/50/79/1373265079.db2.gz IXGGMPJSVDCJCM-SMDDNHRTSA-N 0 0 349.749 3.377 10 5 EGBERN C[C@@H]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC001128472370 1373273271 /nfs/dbraw/zinc/27/32/71/1373273271.db2.gz XPUIOQYYKDFIEQ-GRYCIOLGSA-N 0 0 330.388 3.273 10 5 EGBERN C[Si](C)(C)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001128608415 1373297120 /nfs/dbraw/zinc/29/71/20/1373297120.db2.gz OLUCRNPPTIELNL-UHFFFAOYSA-N 0 0 328.444 3.070 10 5 EGBERN C[C@@H](CC1CCCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001128607530 1373297270 /nfs/dbraw/zinc/29/72/70/1373297270.db2.gz USERPMAJIMPQLU-NSHDSACASA-N 0 0 334.372 3.412 10 5 EGBERN CCOC(=O)c1cc(C(=O)NCC2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001129046245 1373340119 /nfs/dbraw/zinc/34/01/19/1373340119.db2.gz ZWILCDZNIRSIFP-UHFFFAOYSA-N 0 0 348.399 3.472 10 5 EGBERN CC[C@@H](CNc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129205926 1373361567 /nfs/dbraw/zinc/36/15/67/1373361567.db2.gz JCKQXIBPJVBVLZ-NSHDSACASA-N 0 0 349.337 3.494 10 5 EGBERN O=C(N[C@@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001129857740 1373429896 /nfs/dbraw/zinc/42/98/96/1373429896.db2.gz CWWHQLWHJUCOMZ-MRXNPFEDSA-N 0 0 349.346 3.144 10 5 EGBERN COCc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001130390128 1373515873 /nfs/dbraw/zinc/51/58/73/1373515873.db2.gz NLLNPRJVIRREDY-UHFFFAOYSA-N 0 0 333.369 3.110 10 5 EGBERN COc1cc(C(=O)N2Cc3cc(F)c(F)cc3C2)cc([N+](=O)[O-])c1C ZINC001130420241 1373530406 /nfs/dbraw/zinc/53/04/06/1373530406.db2.gz OTJJLVWHXGLJSE-UHFFFAOYSA-N 0 0 348.305 3.346 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnc2cnccc2c1 ZINC001130759016 1373588545 /nfs/dbraw/zinc/58/85/45/1373588545.db2.gz XATFZJNFIWPRNR-UHFFFAOYSA-N 0 0 345.318 3.339 10 5 EGBERN Cc1cccc2c1O[C@H](C(=O)Nc1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001130954632 1373614584 /nfs/dbraw/zinc/61/45/84/1373614584.db2.gz GAOPLDGPDWRZSF-INIZCTEOSA-N 0 0 349.346 3.394 10 5 EGBERN Cc1cccc2c1O[C@@H](C(=O)Nc1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001130954633 1373614695 /nfs/dbraw/zinc/61/46/95/1373614695.db2.gz GAOPLDGPDWRZSF-MRXNPFEDSA-N 0 0 349.346 3.394 10 5 EGBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CC1(Cl)Cl ZINC001130956992 1373615625 /nfs/dbraw/zinc/61/56/25/1373615625.db2.gz LGROJCMEQBEAGM-SNVBAGLBSA-N 0 0 326.139 3.275 10 5 EGBERN COc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001131050035 1373633554 /nfs/dbraw/zinc/63/35/54/1373633554.db2.gz YQQKXRKQGGIBCK-UHFFFAOYSA-N 0 0 332.268 3.039 10 5 EGBERN COc1ccc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC001188324775 1388290803 /nfs/dbraw/zinc/29/08/03/1388290803.db2.gz QXQGHRVILIMRCI-UHFFFAOYSA-N 0 0 339.344 3.025 10 5 EGBERN C[C@@H](OC(=O)C1(CF)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001326797614 1388312882 /nfs/dbraw/zinc/31/28/82/1388312882.db2.gz RLMSWNDJCAAMMO-SNVBAGLBSA-N 0 0 349.318 3.389 10 5 EGBERN CCC(C)(C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC001188626860 1388346896 /nfs/dbraw/zinc/34/68/96/1388346896.db2.gz CXGDZITZMCIZKQ-QGZVFWFLSA-N 0 0 333.388 3.188 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(F)c(F)c1F ZINC001132716089 1375527630 /nfs/dbraw/zinc/52/76/30/1375527630.db2.gz NCCSIWMVBCTBOH-UHFFFAOYSA-N 0 0 344.220 3.169 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CCC[C@]3(CCOC3)O2)c1 ZINC001188862538 1388393392 /nfs/dbraw/zinc/39/33/92/1388393392.db2.gz CVIRGJSTRWKVEI-SWLSCSKDSA-N 0 0 327.764 3.355 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CCC[C@@]3(CCOC3)O2)c1 ZINC001188862536 1388393637 /nfs/dbraw/zinc/39/36/37/1388393637.db2.gz CVIRGJSTRWKVEI-DOMZBBRYSA-N 0 0 327.764 3.355 10 5 EGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001133420847 1375998785 /nfs/dbraw/zinc/99/87/85/1375998785.db2.gz RIHXGATVYSTYSD-GFCCVEGCSA-N 0 0 343.339 3.313 10 5 EGBERN COc1cccc(C(=O)NCc2cccc3ncccc23)c1[N+](=O)[O-] ZINC001133463583 1376021762 /nfs/dbraw/zinc/02/17/62/1376021762.db2.gz IKASGYHRGZKFEL-UHFFFAOYSA-N 0 0 337.335 3.082 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001230822616 1376159438 /nfs/dbraw/zinc/15/94/38/1376159438.db2.gz VLJSTPMEIAVICM-RAEVTNRLSA-N 0 0 349.431 3.405 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2c(C)ccnc2Cl)c1 ZINC001189042472 1388445767 /nfs/dbraw/zinc/44/57/67/1388445767.db2.gz SMSUROYLBGYIFB-UHFFFAOYSA-N 0 0 336.731 3.317 10 5 EGBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc4nccnc4c3)c2)c1 ZINC001189062039 1388449933 /nfs/dbraw/zinc/44/99/33/1388449933.db2.gz RZSZPZBNTXBFOG-UHFFFAOYSA-N 0 0 331.335 3.450 10 5 EGBERN C[C@@H](CNC(=O)c1ccc2nsnc2c1)c1ccccc1[N+](=O)[O-] ZINC001134496438 1376569144 /nfs/dbraw/zinc/56/91/44/1376569144.db2.gz ZAEMIMCMSJIEQB-JTQLQIEISA-N 0 0 342.380 3.133 10 5 EGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001134837554 1376748449 /nfs/dbraw/zinc/74/84/49/1376748449.db2.gz KDQYWCIBSZVSJI-NTZNESFSSA-N 0 0 338.791 3.486 10 5 EGBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC001135055315 1376870656 /nfs/dbraw/zinc/87/06/56/1376870656.db2.gz JCEWHAQDRAEEJB-KBPBESRZSA-N 0 0 347.371 3.368 10 5 EGBERN Cc1cc(NC(=O)c2cc(OCC(F)F)ccn2)cc([N+](=O)[O-])c1 ZINC001135145904 1376933371 /nfs/dbraw/zinc/93/33/71/1376933371.db2.gz XCASTJVBIJWDOB-UHFFFAOYSA-N 0 0 337.282 3.194 10 5 EGBERN Cc1cccc(-n2cc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)nn2)c1 ZINC001135145908 1376933517 /nfs/dbraw/zinc/93/35/17/1376933517.db2.gz XHQHSHJAWSRSDE-UHFFFAOYSA-N 0 0 337.339 3.045 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1N(C)C ZINC001135322203 1377036999 /nfs/dbraw/zinc/03/69/99/1377036999.db2.gz UDEGCKMJRJMXNG-VIFPVBQESA-N 0 0 337.376 3.352 10 5 EGBERN COc1cccc([C@]2(C)CCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC001261655330 1377125375 /nfs/dbraw/zinc/12/53/75/1377125375.db2.gz SWKOVVCHNAFVGN-GOSISDBHSA-N 0 0 344.415 3.038 10 5 EGBERN C[C@H]1C[C@H](C)CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001135573001 1377152220 /nfs/dbraw/zinc/15/22/20/1377152220.db2.gz SVUKMVQDTLSSLG-RYUDHWBXSA-N 0 0 327.384 3.448 10 5 EGBERN Cc1cc(NC(=O)c2csc(-c3ncc[nH]3)n2)ccc1[N+](=O)[O-] ZINC001266631106 1377351911 /nfs/dbraw/zinc/35/19/11/1377351911.db2.gz MQEVQCWFZYBLMY-UHFFFAOYSA-N 0 0 329.341 3.002 10 5 EGBERN O=C(N[C@H]1CCc2c1cccc2Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136386451 1377385887 /nfs/dbraw/zinc/38/58/87/1377385887.db2.gz FTBBXGNRCMDVOK-HOTGVXAUSA-N 0 0 346.770 3.085 10 5 EGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1(Nc2ccccc2)CC1 ZINC001138020909 1377667353 /nfs/dbraw/zinc/66/73/53/1377667353.db2.gz RDUFMOROGXJOKJ-UHFFFAOYSA-N 0 0 337.339 3.054 10 5 EGBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001138277410 1377696529 /nfs/dbraw/zinc/69/65/29/1377696529.db2.gz ZMYFUPMUXMZAQK-VIFPVBQESA-N 0 0 337.738 3.202 10 5 EGBERN COc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001141184509 1378261795 /nfs/dbraw/zinc/26/17/95/1378261795.db2.gz ZOMFXEUHJKEYIJ-UHFFFAOYSA-N 0 0 330.344 3.071 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)nc1 ZINC001141401854 1378318176 /nfs/dbraw/zinc/31/81/76/1378318176.db2.gz QJVISGNLDBEAMB-UHFFFAOYSA-N 0 0 333.731 3.245 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001280488769 1378350490 /nfs/dbraw/zinc/35/04/90/1378350490.db2.gz HNPRIZBHHDSHMC-UHFFFAOYSA-N 0 0 331.225 3.344 10 5 EGBERN CC(C)c1noc2ncc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc21 ZINC001141767810 1378372874 /nfs/dbraw/zinc/37/28/74/1378372874.db2.gz RFHPLGBXTBCJIH-UHFFFAOYSA-N 0 0 341.327 3.089 10 5 EGBERN C[C@@H](NC(=O)NC1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001327523621 1388547507 /nfs/dbraw/zinc/54/75/07/1388547507.db2.gz BHNOHODJMGFDND-FDMSEYEVSA-N 0 0 325.315 3.143 10 5 EGBERN C[C@@H](c1ccccn1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001142732892 1378482836 /nfs/dbraw/zinc/48/28/36/1378482836.db2.gz OLUVITLRSCTIPA-NSHDSACASA-N 0 0 333.775 3.405 10 5 EGBERN CNc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001144413496 1378727530 /nfs/dbraw/zinc/72/75/30/1378727530.db2.gz NRMVDLMZYPNDKR-UHFFFAOYSA-N 0 0 349.774 3.099 10 5 EGBERN O=[N+]([O-])c1cc(N2C[C@H]3CCC[C@@H](C2)C3O)ccc1C(F)(F)F ZINC001327648800 1388572688 /nfs/dbraw/zinc/57/26/88/1388572688.db2.gz PKYFQOUCJMYMMI-XFLKPENQSA-N 0 0 330.306 3.211 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001146825327 1378929323 /nfs/dbraw/zinc/92/93/23/1378929323.db2.gz VYKVLJKNUNFDNB-UHFFFAOYSA-N 0 0 345.286 3.450 10 5 EGBERN CO[C@@]1(C)C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1(C)C ZINC001147882265 1379097083 /nfs/dbraw/zinc/09/70/83/1379097083.db2.gz VCIUUKYTKRKXCI-ABAIWWIYSA-N 0 0 344.770 3.321 10 5 EGBERN O=C(N[C@@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1Cl ZINC001147951743 1379101585 /nfs/dbraw/zinc/10/15/85/1379101585.db2.gz IWNALTXGUOEDAV-CYBMUJFWSA-N 0 0 332.743 3.371 10 5 EGBERN O=C(OCC1CCC(O)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001327789646 1388596922 /nfs/dbraw/zinc/59/69/22/1388596922.db2.gz KDSBQIRFWUIYCB-UHFFFAOYSA-N 0 0 347.289 3.322 10 5 EGBERN CCCCc1ccc(N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001149250856 1379354505 /nfs/dbraw/zinc/35/45/05/1379354505.db2.gz MRQYABZDMVZAFI-UHFFFAOYSA-N 0 0 328.372 3.191 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC001327899462 1388618470 /nfs/dbraw/zinc/61/84/70/1388618470.db2.gz JFXKVGRGFABZGE-UHFFFAOYSA-N 0 0 340.126 3.352 10 5 EGBERN O=C(Nc1cccc(O)c1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001151092278 1379660536 /nfs/dbraw/zinc/66/05/36/1379660536.db2.gz DWCYBOLWWZBUBT-UHFFFAOYSA-N 0 0 330.315 3.500 10 5 EGBERN CCc1ccc(C(=O)NC2(CO)CCCCCCC2)cc1[N+](=O)[O-] ZINC001152185295 1379880283 /nfs/dbraw/zinc/88/02/83/1379880283.db2.gz QVILKIVKMFGROW-UHFFFAOYSA-N 0 0 334.416 3.362 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001152974222 1380000802 /nfs/dbraw/zinc/00/08/02/1380000802.db2.gz PWQMKJXSXRVCTG-OAHLLOKOSA-N 0 0 326.352 3.295 10 5 EGBERN O=C(NCc1nc2c(cccc2F)[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC001153149172 1380027909 /nfs/dbraw/zinc/02/79/09/1380027909.db2.gz CVQBXZBTYIOYIP-UHFFFAOYSA-N 0 0 348.721 3.194 10 5 EGBERN CNc1nccc(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001154202929 1380226373 /nfs/dbraw/zinc/22/63/73/1380226373.db2.gz BLKRSZPBADPZIZ-PIGZYNQJSA-N 0 0 334.420 3.366 10 5 EGBERN CC(C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001154486296 1380287360 /nfs/dbraw/zinc/28/73/60/1380287360.db2.gz SKCTVRFYGONXPZ-SNVBAGLBSA-N 0 0 325.796 3.339 10 5 EGBERN C[C@@H](NC(=O)c1ccc(C2CC2)[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001154713361 1380337713 /nfs/dbraw/zinc/33/77/13/1380337713.db2.gz JRMZTFFHRCNUTJ-SNVBAGLBSA-N 0 0 327.340 3.064 10 5 EGBERN C[C@H](NC(=O)c1ccc(Cl)c(F)c1N)c1ccc([N+](=O)[O-])cc1 ZINC001154946123 1380379468 /nfs/dbraw/zinc/37/94/68/1380379468.db2.gz SFZFPZRYRSXMBZ-QMMMGPOBSA-N 0 0 337.738 3.461 10 5 EGBERN CCC1(CC)CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001156493480 1380583900 /nfs/dbraw/zinc/58/39/00/1380583900.db2.gz UNHIUGPINVXYFJ-UHFFFAOYSA-N 0 0 328.800 3.450 10 5 EGBERN Cn1cnc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc21 ZINC001156781750 1380634131 /nfs/dbraw/zinc/63/41/31/1380634131.db2.gz QUQHTMLGMXWDFU-UHFFFAOYSA-N 0 0 347.334 3.282 10 5 EGBERN CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1OC ZINC001158225080 1381165200 /nfs/dbraw/zinc/16/52/00/1381165200.db2.gz UVPGOHULFFXYBF-UHFFFAOYSA-N 0 0 345.355 3.145 10 5 EGBERN Cc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001158231522 1381168288 /nfs/dbraw/zinc/16/82/88/1381168288.db2.gz HXWQMTHUVLAFHK-SJKOYZFVSA-N 0 0 329.331 3.309 10 5 EGBERN COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001158231899 1381168491 /nfs/dbraw/zinc/16/84/91/1381168491.db2.gz MZHYGIQXLONUMB-UXBLZVDNSA-N 0 0 327.340 3.146 10 5 EGBERN Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)o1 ZINC001287340431 1381177149 /nfs/dbraw/zinc/17/71/49/1381177149.db2.gz WGRCXZPMWRUQFR-UHFFFAOYSA-N 0 0 328.246 3.445 10 5 EGBERN Cc1sccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001287722378 1381366642 /nfs/dbraw/zinc/36/66/42/1381366642.db2.gz ADWHEAWLZSDLFW-AWEZNQCLSA-N 0 0 331.353 3.096 10 5 EGBERN COc1cccc2c1CN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)C2 ZINC001287840066 1381378403 /nfs/dbraw/zinc/37/84/03/1381378403.db2.gz QUAGLRJKYAYFAT-UHFFFAOYSA-N 0 0 330.315 3.207 10 5 EGBERN CCOc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001158788991 1381401307 /nfs/dbraw/zinc/40/13/07/1381401307.db2.gz JVDYRKFRISCYRK-UHFFFAOYSA-N 0 0 335.747 3.481 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328302301 1388720198 /nfs/dbraw/zinc/72/01/98/1388720198.db2.gz LGCXZFHMXMQOKH-HZSPNIEDSA-N 0 0 338.354 3.277 10 5 EGBERN C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccnn1C ZINC001288054444 1381549332 /nfs/dbraw/zinc/54/93/32/1381549332.db2.gz ZMIOYGPMPUJUMX-SSDOTTSWSA-N 0 0 343.170 3.126 10 5 EGBERN CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC001288109211 1381569060 /nfs/dbraw/zinc/56/90/60/1381569060.db2.gz TWKHXNNDGCZVKM-LBPRGKRZSA-N 0 0 345.355 3.185 10 5 EGBERN CCc1nc(C(C)C)ccc1C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001288216527 1381731675 /nfs/dbraw/zinc/73/16/75/1381731675.db2.gz XAWMXOAQWYQCTC-UHFFFAOYSA-N 0 0 344.371 3.332 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@H]1F ZINC001288236865 1381747800 /nfs/dbraw/zinc/74/78/00/1381747800.db2.gz KLIQOAHOQXLWJZ-AEFFLSMTSA-N 0 0 344.342 3.115 10 5 EGBERN COc1cccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3C)nc21 ZINC001288434786 1381811779 /nfs/dbraw/zinc/81/17/79/1381811779.db2.gz ALPBMQVHSJEYFN-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN COc1cccc(C(=O)Nc2cnccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001288620050 1381898055 /nfs/dbraw/zinc/89/80/55/1381898055.db2.gz AEOFKYOTVKLWGU-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN COc1c(C(=O)Nc2cncc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001289814103 1382011498 /nfs/dbraw/zinc/01/14/98/1382011498.db2.gz BNLCIXHWZGOLNZ-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN CCCC1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001289946985 1382028584 /nfs/dbraw/zinc/02/85/84/1382028584.db2.gz XUEYTVGHJDHHSJ-KRWDZBQOSA-N 0 0 345.399 3.127 10 5 EGBERN Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CCC1CC1 ZINC001290740352 1382106651 /nfs/dbraw/zinc/10/66/51/1382106651.db2.gz MVALEZFODCBJOR-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN CC(C)(C)[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001290992205 1382121307 /nfs/dbraw/zinc/12/13/07/1382121307.db2.gz AXCAEJASCAAZEW-AWEZNQCLSA-N 0 0 346.362 3.228 10 5 EGBERN Cc1ccccc1CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001292715652 1382209798 /nfs/dbraw/zinc/20/97/98/1382209798.db2.gz LVZFCFCQMZPACQ-UHFFFAOYSA-N 0 0 327.384 3.237 10 5 EGBERN CCON(Cc1ccccc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001161099577 1382295932 /nfs/dbraw/zinc/29/59/32/1382295932.db2.gz JGHKLLVZOVYBKX-UHFFFAOYSA-N 0 0 332.331 3.257 10 5 EGBERN CCON(CC1CCCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC001161350179 1382380347 /nfs/dbraw/zinc/38/03/47/1382380347.db2.gz OLFOFOPUFOUYIX-UHFFFAOYSA-N 0 0 338.408 3.415 10 5 EGBERN COCc1cc(O)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001161483300 1382420465 /nfs/dbraw/zinc/42/04/65/1382420465.db2.gz RDABCOISLCAEOP-UHFFFAOYSA-N 0 0 341.323 3.180 10 5 EGBERN COCc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161486501 1382420858 /nfs/dbraw/zinc/42/08/58/1382420858.db2.gz AYMCVSBHNCWSEL-HOTGVXAUSA-N 0 0 342.351 3.189 10 5 EGBERN Cc1ccc2[nH]c(CNC(=O)c3cccc([N+](=O)[O-])c3Cl)nc2c1 ZINC001294204090 1382427546 /nfs/dbraw/zinc/42/75/46/1382427546.db2.gz GFWCJHWSHTYEOU-UHFFFAOYSA-N 0 0 344.758 3.363 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC001294222072 1382428894 /nfs/dbraw/zinc/42/88/94/1382428894.db2.gz UOZLGZMHKSDAPG-AOOOYVTPSA-N 0 0 328.821 3.143 10 5 EGBERN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001161843337 1382526464 /nfs/dbraw/zinc/52/64/64/1382526464.db2.gz FSDIWFGVNZLDNC-UKPHBRMFSA-N 0 0 334.416 3.351 10 5 EGBERN Cn1c2ccccc2c(NCCCc2ccccc2)c([N+](=O)[O-])c1=O ZINC001162049369 1382613788 /nfs/dbraw/zinc/61/37/88/1382613788.db2.gz LBOITAGQLWVLLY-UHFFFAOYSA-N 0 0 337.379 3.491 10 5 EGBERN COC(=O)c1ccnc(SCc2cccc(OC)c2)c1[N+](=O)[O-] ZINC001162277560 1382719065 /nfs/dbraw/zinc/71/90/65/1382719065.db2.gz OMDSIKGFGREDGK-UHFFFAOYSA-N 0 0 334.353 3.077 10 5 EGBERN Cc1ccncc1[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001295582854 1382733681 /nfs/dbraw/zinc/73/36/81/1382733681.db2.gz PNPBRSBPKVBTKK-SECBINFHSA-N 0 0 334.763 3.025 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC001295653246 1382762241 /nfs/dbraw/zinc/76/22/41/1382762241.db2.gz FLYLVNSBHQQJSU-CQSZACIVSA-N 0 0 346.408 3.070 10 5 EGBERN Cc1ccc(C2=CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cn1 ZINC001295657725 1382762793 /nfs/dbraw/zinc/76/27/93/1382762793.db2.gz LWKRHUGZPIJORO-UHFFFAOYSA-N 0 0 341.342 3.367 10 5 EGBERN Cc1cn2cc(Nc3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])ccc2n1 ZINC001162568007 1382793395 /nfs/dbraw/zinc/79/33/95/1382793395.db2.gz LURGNXMOAYQMQZ-UHFFFAOYSA-N 0 0 349.350 3.146 10 5 EGBERN O=C(C=CC=C(Cl)Cl)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987893 1382891727 /nfs/dbraw/zinc/89/17/27/1382891727.db2.gz FBHIKSRWCPWKTO-HNQUOIGGSA-N 0 0 327.127 3.285 10 5 EGBERN C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001162907393 1382911736 /nfs/dbraw/zinc/91/17/36/1382911736.db2.gz OZTDBXOVDIXZJG-IOASZLSFSA-N 0 0 341.411 3.462 10 5 EGBERN CC(C)[C@@H]1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC001162921686 1382917324 /nfs/dbraw/zinc/91/73/24/1382917324.db2.gz JYJVDDOFDOQAJY-WBMJQRKESA-N 0 0 333.363 3.320 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccccc1C ZINC001163055082 1382956131 /nfs/dbraw/zinc/95/61/31/1382956131.db2.gz SEBWDXLGXOKJSX-UHFFFAOYSA-N 0 0 329.356 3.353 10 5 EGBERN COC[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001163083547 1382962184 /nfs/dbraw/zinc/96/21/84/1382962184.db2.gz ACICXDHLCQQCEF-RKDXNWHRSA-N 0 0 335.187 3.142 10 5 EGBERN Cn1ncc([N+](=O)[O-])c1NC/C=C/c1ccc(Br)cc1 ZINC001163373958 1383035437 /nfs/dbraw/zinc/03/54/37/1383035437.db2.gz ZGKBYXHVHRIPHD-NSCUHMNNSA-N 0 0 337.177 3.216 10 5 EGBERN CC(C)c1[nH]nc(C(=O)N(C)c2cccc3cccnc32)c1[N+](=O)[O-] ZINC001296858734 1383071762 /nfs/dbraw/zinc/07/17/62/1383071762.db2.gz PEZLFKQZKMMDBZ-UHFFFAOYSA-N 0 0 339.355 3.266 10 5 EGBERN Cc1ccc2n[nH]cc2c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001296874400 1383077811 /nfs/dbraw/zinc/07/78/11/1383077811.db2.gz DVCCIGAOIOEYMZ-UHFFFAOYSA-N 0 0 338.367 3.094 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2c(n1)CCCC2 ZINC001297104785 1383118352 /nfs/dbraw/zinc/11/83/52/1383118352.db2.gz LQYCIMZRQIPKCW-UHFFFAOYSA-N 0 0 343.358 3.246 10 5 EGBERN Cc1cscc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001297303314 1383140028 /nfs/dbraw/zinc/14/00/28/1383140028.db2.gz SZNGMHAJIUGOIT-UHFFFAOYSA-N 0 0 343.767 3.269 10 5 EGBERN COC(=O)c1ccnc(Oc2cc(C)c(C(C)=O)c(C)c2)c1[N+](=O)[O-] ZINC001164029339 1383148290 /nfs/dbraw/zinc/14/82/90/1383148290.db2.gz DNVUDHSILFUSCK-UHFFFAOYSA-N 0 0 344.323 3.388 10 5 EGBERN CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccccc1 ZINC001164086604 1383154400 /nfs/dbraw/zinc/15/44/00/1383154400.db2.gz ZOPQBHBJPVVRMO-NVXWUHKLSA-N 0 0 338.367 3.462 10 5 EGBERN Cc1cc(F)cc(C(=O)Nc2cccc(C3OCCO3)c2)c1[N+](=O)[O-] ZINC001297464306 1383166113 /nfs/dbraw/zinc/16/61/13/1383166113.db2.gz LUIHWWNCBWJHMT-UHFFFAOYSA-N 0 0 346.314 3.340 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001164276107 1383173802 /nfs/dbraw/zinc/17/38/02/1383173802.db2.gz APIYZIUTKOYYGN-HNNXBMFYSA-N 0 0 341.367 3.136 10 5 EGBERN Cc1nn(C)c(N[C@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001164293731 1383175402 /nfs/dbraw/zinc/17/54/02/1383175402.db2.gz FRUYBKMAGWCHFP-MRXNPFEDSA-N 0 0 337.383 3.428 10 5 EGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(O)c(Cl)c1 ZINC001297645008 1383205648 /nfs/dbraw/zinc/20/56/48/1383205648.db2.gz BXAQLBWHULIYIZ-UHFFFAOYSA-N 0 0 348.786 3.197 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ccc(C(C)=O)cc2C)c1 ZINC001165644348 1383319348 /nfs/dbraw/zinc/31/93/48/1383319348.db2.gz ZCONHHXUWWWQPY-UHFFFAOYSA-N 0 0 343.335 3.471 10 5 EGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccsc1Cl ZINC001165841632 1383351739 /nfs/dbraw/zinc/35/17/39/1383351739.db2.gz OUYUOMKMFGNJLO-UHFFFAOYSA-N 0 0 349.593 3.282 10 5 EGBERN CCC/C=C\[C@H](O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298143000 1383379422 /nfs/dbraw/zinc/37/94/22/1383379422.db2.gz URAYRVWSJTUAAT-VLMYMSAOSA-N 0 0 332.400 3.018 10 5 EGBERN Cc1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccn1 ZINC001298199914 1383381157 /nfs/dbraw/zinc/38/11/57/1383381157.db2.gz FLWMCJBLCKUYRJ-UHFFFAOYSA-N 0 0 343.386 3.315 10 5 EGBERN Cc1cc(C)c(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC001298809399 1383432531 /nfs/dbraw/zinc/43/25/31/1383432531.db2.gz NJCYTHSRMKEUDC-UHFFFAOYSA-N 0 0 329.356 3.110 10 5 EGBERN CC(C)(C)CCNC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001166956236 1383504306 /nfs/dbraw/zinc/50/43/06/1383504306.db2.gz CDDBWWGHPKTLSW-UHFFFAOYSA-N 0 0 330.388 3.011 10 5 EGBERN COc1cc(C(=O)Nc2nccc3cc[nH]c32)cc([N+](=O)[O-])c1C ZINC001167127138 1383546555 /nfs/dbraw/zinc/54/65/55/1383546555.db2.gz JJCJIVDVKHRXKI-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2[nH]c(C)nc21 ZINC001299859475 1383632908 /nfs/dbraw/zinc/63/29/08/1383632908.db2.gz ZUKHLSUYRCWUSE-UHFFFAOYSA-N 0 0 325.328 3.074 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(-c2ccccc2)[nH]n1 ZINC001300033074 1383640116 /nfs/dbraw/zinc/64/01/16/1383640116.db2.gz TXWMHIGVDANDRH-UHFFFAOYSA-N 0 0 340.314 3.305 10 5 EGBERN O=C(Nc1ccccc1Sc1ncccn1)c1cc([N+](=O)[O-])c[nH]1 ZINC001300236155 1383654767 /nfs/dbraw/zinc/65/47/67/1383654767.db2.gz ZCZRMERDTQIDOT-UHFFFAOYSA-N 0 0 341.352 3.116 10 5 EGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(F)cccc2c1 ZINC001300489633 1383667535 /nfs/dbraw/zinc/66/75/35/1383667535.db2.gz XFJSDOZFZJQJTR-UHFFFAOYSA-N 0 0 344.277 3.256 10 5 EGBERN CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1C ZINC001303169025 1383786148 /nfs/dbraw/zinc/78/61/48/1383786148.db2.gz GRKHTROCZJDYIM-UHFFFAOYSA-N 0 0 327.340 3.249 10 5 EGBERN Cc1ncccc1C=CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001303181053 1383786329 /nfs/dbraw/zinc/78/63/29/1383786329.db2.gz VCIXLTVEXFEHAE-FPLPWBNLSA-N 0 0 349.350 3.340 10 5 EGBERN CCc1[nH]nc(C(=O)Nc2ccc(C)c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC001303364987 1383796413 /nfs/dbraw/zinc/79/64/13/1383796413.db2.gz IHPXSDKJQFUATO-UHFFFAOYSA-N 0 0 343.387 3.041 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC(Cc4ccco4)C3)c2c1 ZINC001328815919 1388881103 /nfs/dbraw/zinc/88/11/03/1388881103.db2.gz UPGKSBSLONHEGX-UHFFFAOYSA-N 0 0 344.758 3.463 10 5 EGBERN Cn1cnc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 ZINC001304029189 1383822200 /nfs/dbraw/zinc/82/22/00/1383822200.db2.gz AOEIRHIMDMEHPP-UHFFFAOYSA-N 0 0 342.380 3.212 10 5 EGBERN Cc1ccc([S@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001304191714 1383839012 /nfs/dbraw/zinc/83/90/12/1383839012.db2.gz ZECYIQMFODARPM-QHCPKHFHSA-N 0 0 336.344 3.339 10 5 EGBERN CCC[C@](C)(NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001305293168 1383859881 /nfs/dbraw/zinc/85/98/81/1383859881.db2.gz ZIXXZMQIPZXDCE-KRWDZBQOSA-N 0 0 328.372 3.017 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCOC ZINC001306770605 1383903493 /nfs/dbraw/zinc/90/34/93/1383903493.db2.gz VJHGIWYBNIZSDR-UHFFFAOYSA-N 0 0 347.419 3.126 10 5 EGBERN CC(F)(F)C1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CC1 ZINC001306865634 1383912662 /nfs/dbraw/zinc/91/26/62/1383912662.db2.gz NFKGXAGGQZDRFC-UHFFFAOYSA-N 0 0 336.298 3.359 10 5 EGBERN CCOc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001306946780 1383924508 /nfs/dbraw/zinc/92/45/08/1383924508.db2.gz OGXXZBQTAAYTRT-LLVKDONJSA-N 0 0 329.356 3.266 10 5 EGBERN C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC001306962382 1383926342 /nfs/dbraw/zinc/92/63/42/1383926342.db2.gz NPUFVMKTMCGCPB-QWRGUYRKSA-N 0 0 347.337 3.135 10 5 EGBERN Cc1ccc(N2CC[C@@H](Nc3cc(C)ccc3[N+](=O)[O-])C2=O)cc1 ZINC001306972826 1383928611 /nfs/dbraw/zinc/92/86/11/1383928611.db2.gz ZWYFQSPZEKPDDG-OAHLLOKOSA-N 0 0 325.368 3.429 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](OC)C(C)(C)C)c2c1 ZINC001306982310 1383929029 /nfs/dbraw/zinc/92/90/29/1383929029.db2.gz YREYKSDDIGVTQY-OAHLLOKOSA-N 0 0 333.388 3.047 10 5 EGBERN O=C(N[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001306979066 1383929388 /nfs/dbraw/zinc/92/93/88/1383929388.db2.gz QABGATFUBGXQQI-CYBMUJFWSA-N 0 0 331.397 3.055 10 5 EGBERN COc1ccc2ncc([N+](=O)[O-])c(N3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC001306984887 1383929971 /nfs/dbraw/zinc/92/99/71/1383929971.db2.gz UCFPWQSGZNTUKD-QWRGUYRKSA-N 0 0 333.413 3.482 10 5 EGBERN O=[N+]([O-])c1ccc(CN(c2nc(Cl)nc3nc[nH]c32)C2CC2)cc1 ZINC001307083558 1383938327 /nfs/dbraw/zinc/93/83/27/1383938327.db2.gz PBAVALHWSBJMCV-UHFFFAOYSA-N 0 0 344.762 3.084 10 5 EGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001307148539 1383945419 /nfs/dbraw/zinc/94/54/19/1383945419.db2.gz FZJAPFZPAKFKMD-WFASDCNBSA-N 0 0 329.400 3.335 10 5 EGBERN COc1ccc(F)cc1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001307208206 1383957222 /nfs/dbraw/zinc/95/72/22/1383957222.db2.gz HYYKVIIUYCFSEO-UHFFFAOYSA-N 0 0 342.330 3.340 10 5 EGBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1cc2ccccc2o1 ZINC001307340952 1383974446 /nfs/dbraw/zinc/97/44/46/1383974446.db2.gz LGQPJKWDKJOJBX-UHFFFAOYSA-N 0 0 327.321 3.161 10 5 EGBERN O=[N+]([O-])c1cc2c(cc1OCc1cnc3ccccc3c1)OCCO2 ZINC001307407291 1383984654 /nfs/dbraw/zinc/98/46/54/1383984654.db2.gz JXXJTLKVGWZVBI-UHFFFAOYSA-N 0 0 338.319 3.493 10 5 EGBERN Cc1cc(C(=O)COc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1F ZINC001307407946 1383984872 /nfs/dbraw/zinc/98/48/72/1383984872.db2.gz VUTDKISVIPINAP-UHFFFAOYSA-N 0 0 347.298 3.075 10 5 EGBERN Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)NCCC1CCCCC1)CC2 ZINC001307638509 1384006901 /nfs/dbraw/zinc/00/69/01/1384006901.db2.gz CGTRDUFZCKKXNS-UHFFFAOYSA-N 0 0 345.443 3.352 10 5 EGBERN CO[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997784 1384071918 /nfs/dbraw/zinc/07/19/18/1384071918.db2.gz WBTZYOYLYKEVBP-GWCFXTLKSA-N 0 0 343.221 3.357 10 5 EGBERN CC1CC[NH+](CC[C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308002821 1384072898 /nfs/dbraw/zinc/07/28/98/1384072898.db2.gz OKRVLLYAOBQCIJ-QGZVFWFLSA-N 0 0 347.459 3.387 10 5 EGBERN CC(=O)c1nc(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC001310762885 1384237264 /nfs/dbraw/zinc/23/72/64/1384237264.db2.gz FEOARPCYCFXEJT-MRVPVSSYSA-N 0 0 348.384 3.445 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001312379290 1384344139 /nfs/dbraw/zinc/34/41/39/1384344139.db2.gz GOUMHSWBCDIQND-FPMFFAJLSA-N 0 0 337.807 3.279 10 5 EGBERN O=C(NC[C@@H]1C[C@@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001313421212 1384417062 /nfs/dbraw/zinc/41/70/62/1384417062.db2.gz FZKYAJKBFXUEIW-MAUKXSAKSA-N 0 0 343.427 3.489 10 5 EGBERN O=C(NC[C@H]1C[C@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001313421213 1384417315 /nfs/dbraw/zinc/41/73/15/1384417315.db2.gz FZKYAJKBFXUEIW-QAPCUYQASA-N 0 0 343.427 3.489 10 5 EGBERN O=[N+]([O-])c1ccn(CCN2c3ccccc3C[C@H]2Cc2ccccc2)n1 ZINC001175250166 1385229917 /nfs/dbraw/zinc/22/99/17/1385229917.db2.gz OFZKZIAAGZKZDD-GOSISDBHSA-N 0 0 348.406 3.465 10 5 EGBERN CO[C@H](c1nnc(COc2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC001329136261 1388986128 /nfs/dbraw/zinc/98/61/28/1388986128.db2.gz XYJGXXAGTGPHCX-HNNXBMFYSA-N 0 0 333.344 3.435 10 5 EGBERN CCCC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001318951207 1385894069 /nfs/dbraw/zinc/89/40/69/1385894069.db2.gz KRPPWZSIHGRWGG-UHFFFAOYSA-N 0 0 326.418 3.104 10 5 EGBERN Cc1cc(C)c(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001319991055 1386439232 /nfs/dbraw/zinc/43/92/32/1386439232.db2.gz XTASOTLQWMKCDF-UHFFFAOYSA-N 0 0 345.399 3.009 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(F)c(O)cc2Cl)n1 ZINC001179659555 1386543082 /nfs/dbraw/zinc/54/30/82/1386543082.db2.gz BSUMNVUUOOHJII-UHFFFAOYSA-N 0 0 325.683 3.049 10 5 EGBERN CCNc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cn1 ZINC001179711116 1386561298 /nfs/dbraw/zinc/56/12/98/1386561298.db2.gz CPGFWRUTIHEAPC-UHFFFAOYSA-N 0 0 339.355 3.015 10 5 EGBERN CCOc1c(F)cccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875361 1386614341 /nfs/dbraw/zinc/61/43/41/1386614341.db2.gz SCKVNNLBYOAYMI-UHFFFAOYSA-N 0 0 333.319 3.276 10 5 EGBERN Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179878871 1386616276 /nfs/dbraw/zinc/61/62/76/1386616276.db2.gz GCNNFBZWDJMDLG-CYBMUJFWSA-N 0 0 343.383 3.338 10 5 EGBERN Cc1ccc(NC(=O)Cc2ccc(O)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001179878921 1386616285 /nfs/dbraw/zinc/61/62/85/1386616285.db2.gz GODDRFCZLHEANF-UHFFFAOYSA-N 0 0 335.747 3.026 10 5 EGBERN Cc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c(N)c1[N+](=O)[O-] ZINC001179879926 1386617031 /nfs/dbraw/zinc/61/70/31/1386617031.db2.gz WCPFMPQWLOKZME-LBPRGKRZSA-N 0 0 333.388 3.163 10 5 EGBERN COC(=O)c1cc(NC(=O)c2c(C)cccc2F)c(C)c([N+](=O)[O-])c1 ZINC001321895740 1387005961 /nfs/dbraw/zinc/00/59/61/1387005961.db2.gz QLINKIJQEZHPAJ-UHFFFAOYSA-N 0 0 346.314 3.390 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001330685105 1389496618 /nfs/dbraw/zinc/49/66/18/1389496618.db2.gz KOUYESPOFHUJGD-GRYCIOLGSA-N 0 0 340.326 3.156 10 5 EGBERN COc1ccc([C@@H]2CCN(c3c(C)cncc3[N+](=O)[O-])C2)cc1F ZINC001331557248 1389797826 /nfs/dbraw/zinc/79/78/26/1389797826.db2.gz YYQXVTTWDWHPRZ-CYBMUJFWSA-N 0 0 331.347 3.440 10 5 EGBERN Cc1nc(CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)sc1C ZINC001339273304 1389968688 /nfs/dbraw/zinc/96/86/88/1389968688.db2.gz UGDXIJRMKXYBNV-UHFFFAOYSA-N 0 0 331.397 3.190 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCCOC(F)(F)F)c1 ZINC001332190939 1390032094 /nfs/dbraw/zinc/03/20/94/1390032094.db2.gz BGBQOFIFDOKTMH-UHFFFAOYSA-N 0 0 325.264 3.010 10 5 EGBERN O=C(Nc1ccc2cc[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001339503105 1390048908 /nfs/dbraw/zinc/04/89/08/1390048908.db2.gz VRBCTCUQDJPMCP-UHFFFAOYSA-N 0 0 325.280 3.057 10 5 EGBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001332228303 1390057455 /nfs/dbraw/zinc/05/74/55/1390057455.db2.gz YQUZMLYCJGZXBW-YHPBZONMSA-N 0 0 344.745 3.341 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc21 ZINC001332995811 1390233102 /nfs/dbraw/zinc/23/31/02/1390233102.db2.gz AEOJHQLATYXRHS-AWEZNQCLSA-N 0 0 328.343 3.123 10 5 EGBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H](O)CC34CCC4)c2c1 ZINC001333721155 1390383484 /nfs/dbraw/zinc/38/34/84/1390383484.db2.gz JNWXVDNUKCJFLT-NSHDSACASA-N 0 0 348.790 3.075 10 5 EGBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC001334176353 1390493613 /nfs/dbraw/zinc/49/36/13/1390493613.db2.gz JWBLUHJUUKBFAO-MRXNPFEDSA-N 0 0 342.399 3.244 10 5 EGBERN O=C(CC1(C(F)(F)F)CC1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001334221528 1390501111 /nfs/dbraw/zinc/50/11/11/1390501111.db2.gz CKFYFDNDMYSZRD-UHFFFAOYSA-N 0 0 338.232 3.222 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC1CCC(O)CC1 ZINC001343865927 1390740836 /nfs/dbraw/zinc/74/08/36/1390740836.db2.gz RATLSGPQNWNGGB-CKDBGZEDSA-N 0 0 335.400 3.258 10 5 EGBERN CCn1cc(COC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001343975650 1390747710 /nfs/dbraw/zinc/74/77/10/1390747710.db2.gz PFXHBTDQSHSMHO-UHFFFAOYSA-N 0 0 337.763 3.141 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001344620330 1390803876 /nfs/dbraw/zinc/80/38/76/1390803876.db2.gz JZBFHWUIAURPPU-ZWNOBZJWSA-N 0 0 339.779 3.281 10 5 EGBERN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC(F)(F)CC1 ZINC001344936629 1390826374 /nfs/dbraw/zinc/82/63/74/1390826374.db2.gz MAIGBKXTZIFEIY-UHFFFAOYSA-N 0 0 343.282 3.097 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCC1=O ZINC001345467439 1390861359 /nfs/dbraw/zinc/86/13/59/1390861359.db2.gz XGVPRIIAHPLHAL-LLVKDONJSA-N 0 0 327.340 3.191 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCO1 ZINC001346630502 1390963988 /nfs/dbraw/zinc/96/39/88/1390963988.db2.gz LSTURKZJHOQQBN-LBPRGKRZSA-N 0 0 329.356 3.391 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1cc(C2CC2)no1 ZINC001347125299 1391003712 /nfs/dbraw/zinc/00/37/12/1391003712.db2.gz PGMOSZTWROINHF-UHFFFAOYSA-N 0 0 330.340 3.363 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC001347686472 1391111177 /nfs/dbraw/zinc/11/11/77/1391111177.db2.gz ZXXDPZMWPAHSKY-UHFFFAOYSA-N 0 0 347.758 3.216 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OC[C@H]1CCCCO1 ZINC001347962104 1391151577 /nfs/dbraw/zinc/15/15/77/1391151577.db2.gz KTQKFUOVQVJNJS-LLVKDONJSA-N 0 0 327.764 3.293 10 5 EGBERN COc1c(C(=O)OC[C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC001347982339 1391154099 /nfs/dbraw/zinc/15/40/99/1391154099.db2.gz MQEOAFYNZBOIBL-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccccc2)cc1Cl ZINC001348079003 1391170337 /nfs/dbraw/zinc/17/03/37/1391170337.db2.gz KHXRBCYLHULANS-UHFFFAOYSA-N 0 0 334.759 3.365 10 5 EGBERN Cn1nc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1Cl ZINC001348437861 1391219157 /nfs/dbraw/zinc/21/91/57/1391219157.db2.gz AWBDAJDWPKITOH-UHFFFAOYSA-N 0 0 333.106 3.027 10 5 EGBERN O=C(NCc1nc2ccccc2s1)c1c(F)cccc1[N+](=O)[O-] ZINC001348456351 1391222248 /nfs/dbraw/zinc/22/22/48/1391222248.db2.gz QILHVKACZORBBO-UHFFFAOYSA-N 0 0 331.328 3.274 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001349031005 1391297608 /nfs/dbraw/zinc/29/76/08/1391297608.db2.gz YHLRUYWBYADBFJ-KBXCAEBGSA-N 0 0 327.336 3.487 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1 ZINC001349815715 1391370809 /nfs/dbraw/zinc/37/08/09/1391370809.db2.gz QZHIIBMGPNITDT-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001349845396 1391374929 /nfs/dbraw/zinc/37/49/29/1391374929.db2.gz BTYJUEZSBUSXEZ-GDBMZVCRSA-N 0 0 333.388 3.469 10 5 EGBERN C[C@H](OCCc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001349887297 1391381318 /nfs/dbraw/zinc/38/13/18/1391381318.db2.gz WAOPINPEHARKHP-LBPRGKRZSA-N 0 0 332.331 3.320 10 5 EGBERN COC(=O)c1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)o1 ZINC001349897185 1391382574 /nfs/dbraw/zinc/38/25/74/1391382574.db2.gz BGXWHMUXCZOHAH-UHFFFAOYSA-N 0 0 338.703 3.189 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)=O)c(C)c1 ZINC001349951045 1391390148 /nfs/dbraw/zinc/39/01/48/1391390148.db2.gz KKHYCCYSXPSQQX-UHFFFAOYSA-N 0 0 328.324 3.367 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001350098534 1391410962 /nfs/dbraw/zinc/41/09/62/1391410962.db2.gz XHZCDUZBYGZOBN-VXGBXAGGSA-N 0 0 337.376 3.025 10 5 EGBERN COc1cc(C(=O)Oc2ccc(C(C)=O)cc2)c([N+](=O)[O-])cc1F ZINC001350170231 1391424087 /nfs/dbraw/zinc/42/40/87/1391424087.db2.gz FGMRPULMWJNMGJ-UHFFFAOYSA-N 0 0 333.271 3.164 10 5 EGBERN O=C(Nc1ccc(CO)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001350183123 1391426037 /nfs/dbraw/zinc/42/60/37/1391426037.db2.gz UELRZHKDSIBMEU-UHFFFAOYSA-N 0 0 341.367 3.284 10 5 EGBERN C[C@@H](OC(=O)c1cc(C(F)(F)F)ncn1)c1cccc([N+](=O)[O-])c1 ZINC001350189757 1391427230 /nfs/dbraw/zinc/42/72/30/1391427230.db2.gz QIVMTGRYFYMHSK-MRVPVSSYSA-N 0 0 341.245 3.322 10 5 EGBERN CC[C@](C)(O)CCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001350334750 1391449069 /nfs/dbraw/zinc/44/90/69/1391449069.db2.gz PORYQOVULDAXFO-ZDUSSCGKSA-N 0 0 335.278 3.322 10 5 EGBERN Nc1c(NC(=O)N[C@H]2CCC[C@H](F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC001350614174 1391490363 /nfs/dbraw/zinc/49/03/63/1391490363.db2.gz BQSQZYCHVDYFKI-IUCAKERBSA-N 0 0 330.747 3.233 10 5 EGBERN Cc1cccc(OCCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001350648041 1391498582 /nfs/dbraw/zinc/49/85/82/1391498582.db2.gz YJGOKXJTJYIUNZ-UHFFFAOYSA-N 0 0 346.358 3.170 10 5 EGBERN COc1cc(C(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC001350678182 1391504486 /nfs/dbraw/zinc/50/44/86/1391504486.db2.gz IPFTZHBADMMCKO-UHFFFAOYSA-N 0 0 336.294 3.154 10 5 EGBERN Cc1cnc(COC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(C)c1[N+](=O)[O-] ZINC001351257064 1391617550 /nfs/dbraw/zinc/61/75/50/1391617550.db2.gz XLLSAYDTOCJVAJ-GRYCIOLGSA-N 0 0 340.326 3.331 10 5 EGBERN Cc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc2n1 ZINC001351305255 1391624455 /nfs/dbraw/zinc/62/44/55/1391624455.db2.gz IICMSVILUBGXCD-UHFFFAOYSA-N 0 0 325.299 3.265 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(c2ccccc2)C1 ZINC001351312334 1391625444 /nfs/dbraw/zinc/62/54/44/1391625444.db2.gz PSWYKTHQJOZCKW-LBPRGKRZSA-N 0 0 329.331 3.199 10 5 EGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001351482291 1391643852 /nfs/dbraw/zinc/64/38/52/1391643852.db2.gz MYMSMGNGDVMGCE-KRWDZBQOSA-N 0 0 333.432 3.205 10 5 EGBERN O=C(Nc1cnc(-c2ccccc2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC001351548208 1391650801 /nfs/dbraw/zinc/65/08/01/1391650801.db2.gz KRCLBJWJPALQNV-UHFFFAOYSA-N 0 0 338.298 3.443 10 5 EGBERN COc1ccc2c(c1)CC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)C2 ZINC001351594587 1391654922 /nfs/dbraw/zinc/65/49/22/1391654922.db2.gz OBZBEBRDSKEJBQ-INIZCTEOSA-N 0 0 341.363 3.452 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Oc1cccc([N+](=O)[O-])c1 ZINC001351937174 1391720121 /nfs/dbraw/zinc/72/01/21/1391720121.db2.gz SWIVAMKUVUSVKY-LLVKDONJSA-N 0 0 326.308 3.016 10 5 EGBERN Cc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2nccn2c1 ZINC001352649714 1391829237 /nfs/dbraw/zinc/82/92/37/1391829237.db2.gz WDWYXMGLLCXWIK-UHFFFAOYSA-N 0 0 330.731 3.457 10 5 EGBERN CCn1ncnc1-c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001352702590 1391833940 /nfs/dbraw/zinc/83/39/40/1391833940.db2.gz GHYZUZWIQGZXRS-UHFFFAOYSA-N 0 0 337.339 3.126 10 5 EGBERN CCCc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001352883010 1391870411 /nfs/dbraw/zinc/87/04/11/1391870411.db2.gz IYFSQQIWAKHZSV-UHFFFAOYSA-N 0 0 334.397 3.418 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](c3nccs3)C2)c1F ZINC001353570172 1392041246 /nfs/dbraw/zinc/04/12/46/1392041246.db2.gz DPCQVKKFCRQJBC-SNVBAGLBSA-N 0 0 335.360 3.129 10 5 EGBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)s1 ZINC001354164421 1392123785 /nfs/dbraw/zinc/12/37/85/1392123785.db2.gz NCEOCLZLWIKSAH-UHFFFAOYSA-N 0 0 342.380 3.080 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(C)COc2ccccc2O1 ZINC001354532740 1392150920 /nfs/dbraw/zinc/15/09/20/1392150920.db2.gz BKCUHRYTPSBVMW-KRWDZBQOSA-N 0 0 329.308 3.039 10 5 EGBERN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001354569373 1392153230 /nfs/dbraw/zinc/15/32/30/1392153230.db2.gz RSTDPWLFKOIADT-ZDUSSCGKSA-N 0 0 327.384 3.276 10 5 EGBERN Cc1cc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c2nccn2c1 ZINC001354617191 1392156491 /nfs/dbraw/zinc/15/64/91/1392156491.db2.gz YGHLHRSTSOEKSO-LBPRGKRZSA-N 0 0 325.324 3.469 10 5 EGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001354669635 1392159970 /nfs/dbraw/zinc/15/99/70/1392159970.db2.gz HMFWHELHDYMHIT-HMTTWLPMSA-N 0 0 340.383 3.320 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnc(F)c(Br)c1 ZINC001355015879 1392185950 /nfs/dbraw/zinc/18/59/50/1392185950.db2.gz MMYCTNFBYJLWOV-UHFFFAOYSA-N 0 0 340.108 3.144 10 5 EGBERN C[Si](C)(C)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001355016727 1392185966 /nfs/dbraw/zinc/18/59/66/1392185966.db2.gz XMGQZZYMADMEOB-UHFFFAOYSA-N 0 0 328.444 3.321 10 5 EGBERN CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001481374892 1394216719 /nfs/dbraw/zinc/21/67/19/1394216719.db2.gz CNNXNGKNPFMESA-HDICACEKSA-N 0 0 345.443 3.206 10 5 EGBERN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)CC)OC ZINC001708779455 1417409122 /nfs/dbraw/zinc/40/91/22/1417409122.db2.gz WMYLUYSYGUWZQB-OAHLLOKOSA-N 0 0 347.419 3.125 10 5 EGBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1C[C@@H]1C ZINC001709038768 1417415788 /nfs/dbraw/zinc/41/57/88/1417415788.db2.gz VERZZMXTOJNFOV-GXTWGEPZSA-N 0 0 329.404 3.041 10 5 EGBERN CN(CCN(C)C(=O)C1=CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001715812847 1420353044 /nfs/dbraw/zinc/35/30/44/1420353044.db2.gz AIZJJRJWPZNFQJ-UHFFFAOYSA-N 0 0 345.443 3.376 10 5 EGBERN CC(C)C(C)(C)C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001716683894 1420838022 /nfs/dbraw/zinc/83/80/22/1420838022.db2.gz UTPMVBMKJRBXJF-UHFFFAOYSA-N 0 0 339.461 3.077 10 5 EGBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccoc1 ZINC001728090012 1427136223 /nfs/dbraw/zinc/13/62/23/1427136223.db2.gz KQIXPECZBDCLHC-UHFFFAOYSA-N 0 0 341.371 3.341 10 5 EGBERN C[C@H]1C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001742970055 1439532808 /nfs/dbraw/zinc/53/28/08/1439532808.db2.gz MEODCRXEKKGPJX-WCQYABFASA-N 0 0 327.388 3.108 10 5 EGBERN COC(=O)c1cc(N2CCC(OCC3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000368553483 168371538 /nfs/dbraw/zinc/37/15/38/168371538.db2.gz DSZTYCZOGNUBHH-UHFFFAOYSA-N 0 0 348.399 3.085 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000344720971 282167665 /nfs/dbraw/zinc/16/76/65/282167665.db2.gz IBFFUCKXAUHYEW-INIZCTEOSA-N 0 0 329.331 3.415 10 5 EGBERN CC[C@H](NC(=O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177812138 529478404 /nfs/dbraw/zinc/47/84/04/529478404.db2.gz VCORRVHJIGRYAW-KRWDZBQOSA-N 0 0 328.368 3.379 10 5 EGBERN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000175111295 231386175 /nfs/dbraw/zinc/38/61/75/231386175.db2.gz PGAXUCYSBAYWCH-AWEZNQCLSA-N 0 0 327.384 3.232 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000348910912 282265414 /nfs/dbraw/zinc/26/54/14/282265414.db2.gz XEZCFHNUPDKTJQ-QWRGUYRKSA-N 0 0 342.399 3.026 10 5 EGBERN CC(=C1N[C@H](c2cccc(F)c2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100061344 219090292 /nfs/dbraw/zinc/09/02/92/219090292.db2.gz WSMXPEJAGPFQGG-KMPOOHAWSA-N 0 0 328.299 3.310 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2cccs2)CCOCC1 ZINC000004478918 210198786 /nfs/dbraw/zinc/19/87/86/210198786.db2.gz RJJPDPDPVKURDL-UHFFFAOYSA-N 0 0 332.381 3.343 10 5 EGBERN Cc1c(CC(=O)N2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000178567772 232261808 /nfs/dbraw/zinc/26/18/08/232261808.db2.gz ZWAIHRYRYAZQEG-LBPRGKRZSA-N 0 0 330.306 3.247 10 5 EGBERN CCOc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040659645 213365557 /nfs/dbraw/zinc/36/55/57/213365557.db2.gz VIUOKCPLVAPSIJ-UHFFFAOYSA-N 0 0 328.353 3.483 10 5 EGBERN CC(C)(C)NN=c1nc[nH]c(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040648646 213363864 /nfs/dbraw/zinc/36/38/64/213363864.db2.gz DHZYPQGGEGIHTJ-UHFFFAOYSA-N 0 0 336.783 3.497 10 5 EGBERN COC(=O)c1cccn1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000069349303 215382450 /nfs/dbraw/zinc/38/24/50/215382450.db2.gz CXOGNHKPOHBNRM-UHFFFAOYSA-N 0 0 347.346 3.164 10 5 EGBERN O=[N+]([O-])c1c(Oc2cccc3cccnc32)ncnc1N1CCCC1 ZINC000040608938 213358197 /nfs/dbraw/zinc/35/81/97/213358197.db2.gz XHBQKHBPTLIFDA-UHFFFAOYSA-N 0 0 337.339 3.326 10 5 EGBERN COCCNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607698 213357846 /nfs/dbraw/zinc/35/78/46/213357846.db2.gz FADDIVBDQUBOMJ-UHFFFAOYSA-N 0 0 340.792 3.248 10 5 EGBERN CC(C)(C)Nc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000040581722 213353419 /nfs/dbraw/zinc/35/34/19/213353419.db2.gz WKJYMAWFKYWWNA-UHFFFAOYSA-N 0 0 332.320 3.247 10 5 EGBERN O=[N+]([O-])c1ccc(NCCc2coc(-c3ccc(F)cc3)n2)nc1 ZINC000069378784 215393310 /nfs/dbraw/zinc/39/33/10/215393310.db2.gz YQYGXZVSVVDGDQ-UHFFFAOYSA-N 0 0 328.303 3.439 10 5 EGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1cccc(F)c1[N+](=O)[O-] ZINC000127636584 222866602 /nfs/dbraw/zinc/86/66/02/222866602.db2.gz TUAUEUAKRBHSNS-UHFFFAOYSA-N 0 0 332.257 3.123 10 5 EGBERN CNC(=O)c1ccc(N2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000370287843 283474372 /nfs/dbraw/zinc/47/43/72/283474372.db2.gz KFBVXKKVPZZJHR-UHFFFAOYSA-N 0 0 341.367 3.231 10 5 EGBERN CN(C)C(=S)Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000226142 209495449 /nfs/dbraw/zinc/49/54/49/209495449.db2.gz FPRCTNRNTVMCBZ-UHFFFAOYSA-N 0 0 345.380 3.072 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CCCCO2)C1 ZINC000369693783 242014066 /nfs/dbraw/zinc/01/40/66/242014066.db2.gz VIAKKCPKXCAVRA-MRXNPFEDSA-N 0 0 338.791 3.424 10 5 EGBERN CCc1ccc([C@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000263642656 245471353 /nfs/dbraw/zinc/47/13/53/245471353.db2.gz DCMBOPWSEZTURX-LBPRGKRZSA-N 0 0 344.415 3.238 10 5 EGBERN CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000265407559 247477473 /nfs/dbraw/zinc/47/74/73/247477473.db2.gz COHUMFGWSPCRBS-UHFFFAOYSA-N 0 0 349.774 3.172 10 5 EGBERN O=C(c1cccc2nccnc21)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000347849949 296258826 /nfs/dbraw/zinc/25/88/26/296258826.db2.gz SIDVWQOBVALVQF-UHFFFAOYSA-N 0 0 334.335 3.131 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529156 284667536 /nfs/dbraw/zinc/66/75/36/284667536.db2.gz ULRBLUPBMVLBCZ-UHFFFAOYSA-N 0 0 339.326 3.414 10 5 EGBERN COc1cc(OCC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000378620291 169148091 /nfs/dbraw/zinc/14/80/91/169148091.db2.gz SHBRPDAYVVAUJL-FZKQIMNGSA-N 0 0 348.399 3.021 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(C)(C)C1 ZINC000408168023 169162963 /nfs/dbraw/zinc/16/29/63/169162963.db2.gz ZSDXHXDEMMTTEQ-CHWSQXEVSA-N 0 0 331.416 3.337 10 5 EGBERN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012257574 211332110 /nfs/dbraw/zinc/33/21/10/211332110.db2.gz SUZIDAKATDVXHS-SECBINFHSA-N 0 0 349.416 3.130 10 5 EGBERN CC[C@H](NC(=O)N(C)Cc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000090687762 217948621 /nfs/dbraw/zinc/94/86/21/217948621.db2.gz AQTQDSAJSUIYFG-HNNXBMFYSA-N 0 0 332.360 3.184 10 5 EGBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@@H](c2nccs2)C1 ZINC000092831348 218173347 /nfs/dbraw/zinc/17/33/47/218173347.db2.gz PYWGQQMJFFMTQD-SJDLMVEWSA-N 0 0 331.397 3.138 10 5 EGBERN Cc1cnc(N[C@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])c1 ZINC000095415040 218353005 /nfs/dbraw/zinc/35/30/05/218353005.db2.gz RWHOOXOLISRTNJ-AWEZNQCLSA-N 0 0 326.360 3.150 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCOc4ccccc43)cc2N1 ZINC000193665411 284818229 /nfs/dbraw/zinc/81/82/29/284818229.db2.gz NQBHXKDURJMHCH-ZDUSSCGKSA-N 0 0 339.351 3.415 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCCO)c1ccccc1 ZINC000152982938 224040364 /nfs/dbraw/zinc/04/03/64/224040364.db2.gz XSEGMUJIRMIMKG-QGZVFWFLSA-N 0 0 328.368 3.147 10 5 EGBERN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 ZINC000005125899 210395019 /nfs/dbraw/zinc/39/50/19/210395019.db2.gz XQIMETSKYOMRMW-BOPFTXTBSA-N 0 0 337.335 3.410 10 5 EGBERN Cc1c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]c1-c1ccncc1 ZINC000097299756 219011109 /nfs/dbraw/zinc/01/11/09/219011109.db2.gz VMAWRHXYLZERFG-SREVYHEPSA-N 0 0 349.350 3.340 10 5 EGBERN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000181950649 533086813 /nfs/dbraw/zinc/08/68/13/533086813.db2.gz USTBYITUFOVKRF-SKDRFNHKSA-N 0 0 344.820 3.024 10 5 EGBERN COc1cc(OCC(=O)N2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000174009883 533089750 /nfs/dbraw/zinc/08/97/50/533089750.db2.gz DOSIECRPOZUTQZ-UHFFFAOYSA-N 0 0 348.399 3.165 10 5 EGBERN Cc1nn(C)c(C)c1OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000154686166 224290291 /nfs/dbraw/zinc/29/02/91/224290291.db2.gz QUVGROVSJYYTOG-LLVKDONJSA-N 0 0 335.385 3.031 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338093713 141092595 /nfs/dbraw/zinc/09/25/95/141092595.db2.gz RLRGOOMPPLMXMT-UHFFFAOYSA-N 0 0 340.261 3.273 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1csc2ccccc12 ZINC000339519856 141125765 /nfs/dbraw/zinc/12/57/65/141125765.db2.gz UVJGXACDWVUYIT-UHFFFAOYSA-N 0 0 327.365 3.443 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000341183226 141133647 /nfs/dbraw/zinc/13/36/47/141133647.db2.gz MNSIKJUXDVYIAP-UHFFFAOYSA-N 0 0 337.335 3.121 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000342840219 141152187 /nfs/dbraw/zinc/15/21/87/141152187.db2.gz LHSLXFUQLFPRJD-SNVBAGLBSA-N 0 0 347.346 3.124 10 5 EGBERN Cc1ccc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc1 ZINC000346215457 141182239 /nfs/dbraw/zinc/18/22/39/141182239.db2.gz PXCQRNKLYWOOSI-UHFFFAOYSA-N 0 0 337.282 3.176 10 5 EGBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000346289718 141192173 /nfs/dbraw/zinc/19/21/73/141192173.db2.gz GJMHQCSULMRLJS-GFCCVEGCSA-N 0 0 328.372 3.347 10 5 EGBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000346289719 141192415 /nfs/dbraw/zinc/19/24/15/141192415.db2.gz GJMHQCSULMRLJS-LBPRGKRZSA-N 0 0 328.372 3.347 10 5 EGBERN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000347916778 141216202 /nfs/dbraw/zinc/21/62/02/141216202.db2.gz KHAQTAINQOIHSK-LLVKDONJSA-N 0 0 334.401 3.039 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000347944292 141222701 /nfs/dbraw/zinc/22/27/01/141222701.db2.gz DUMWWZLZEBFDEE-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(F)cc3cccnc31)CC2 ZINC000353010603 141285237 /nfs/dbraw/zinc/28/52/37/141285237.db2.gz ZWPBTUCIHGNEBV-UHFFFAOYSA-N 0 0 338.342 3.235 10 5 EGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354694374 141320480 /nfs/dbraw/zinc/32/04/80/141320480.db2.gz ALFHNZYJQUVRPM-MGPQQGTHSA-N 0 0 329.400 3.443 10 5 EGBERN CSc1ccc(C(=O)Nc2n[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000356819770 141348465 /nfs/dbraw/zinc/34/84/65/141348465.db2.gz VWCMKHKBFKYJIE-UHFFFAOYSA-N 0 0 346.343 3.006 10 5 EGBERN COCc1ccccc1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360150817 141409856 /nfs/dbraw/zinc/40/98/56/141409856.db2.gz VUBICEDLUMXCCM-UHFFFAOYSA-N 0 0 330.340 3.140 10 5 EGBERN CCOc1ccc(-c2nc(CCC3CCOCC3)no2)cc1[N+](=O)[O-] ZINC000341285049 142629821 /nfs/dbraw/zinc/62/98/21/142629821.db2.gz ZJEOBHWCSAVBJT-UHFFFAOYSA-N 0 0 347.371 3.403 10 5 EGBERN O=[N+]([O-])c1ccc(NCCNc2ccnc3cc(F)cnc32)cc1 ZINC000341358889 142635911 /nfs/dbraw/zinc/63/59/11/142635911.db2.gz ZRLDTVDCSYFSFL-UHFFFAOYSA-N 0 0 327.319 3.201 10 5 EGBERN CCOc1ccc(C(=O)Nc2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000172819559 144029659 /nfs/dbraw/zinc/02/96/59/144029659.db2.gz LDXZRWPZNWEEHW-UHFFFAOYSA-N 0 0 332.360 3.079 10 5 EGBERN CCC1(CC)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000185263195 144109770 /nfs/dbraw/zinc/10/97/70/144109770.db2.gz UISAEUDUIMSSSA-QFIPXVFZSA-N 0 0 344.864 3.371 10 5 EGBERN CSc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000186167144 144126322 /nfs/dbraw/zinc/12/63/22/144126322.db2.gz LZPOGZPUDJXQBU-OLZOCXBDSA-N 0 0 336.413 3.100 10 5 EGBERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187112115 144152715 /nfs/dbraw/zinc/15/27/15/144152715.db2.gz FBFTWFAORGZSNP-SNVBAGLBSA-N 0 0 349.774 3.052 10 5 EGBERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000187314322 144156561 /nfs/dbraw/zinc/15/65/61/144156561.db2.gz LXEHXALEVZZZTF-IRXDYDNUSA-N 0 0 345.399 3.400 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000187455063 144159701 /nfs/dbraw/zinc/15/97/01/144159701.db2.gz ZRQKBXQTAVVUEJ-UHFFFAOYSA-N 0 0 338.363 3.048 10 5 EGBERN COc1cccc2c1nc(NC(=O)c1c(C)cccc1[N+](=O)[O-])n2C ZINC000192515680 144175707 /nfs/dbraw/zinc/17/57/07/144175707.db2.gz GOJWSJISUOWIIM-UHFFFAOYSA-N 0 0 340.339 3.051 10 5 EGBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000361705917 144351832 /nfs/dbraw/zinc/35/18/32/144351832.db2.gz STVMQIIERGQTLA-JTQLQIEISA-N 0 0 347.293 3.256 10 5 EGBERN Cc1noc(C2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000374389482 144542207 /nfs/dbraw/zinc/54/22/07/144542207.db2.gz UWEAYSLKMBSZJB-UHFFFAOYSA-N 0 0 337.767 3.473 10 5 EGBERN COc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1F ZINC000341301829 155235158 /nfs/dbraw/zinc/23/51/58/155235158.db2.gz FVMNRBWEMPUSHD-UHFFFAOYSA-N 0 0 340.257 3.202 10 5 EGBERN COc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)ccc1[N+](=O)[O-] ZINC000115366147 286193654 /nfs/dbraw/zinc/19/36/54/286193654.db2.gz QRGQAKGYCHDHBO-CYBMUJFWSA-N 0 0 347.396 3.427 10 5 EGBERN COc1cc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000367373380 286228911 /nfs/dbraw/zinc/22/89/11/286228911.db2.gz XLTLNDPEYPZWLK-STQMWFEESA-N 0 0 338.379 3.386 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000116045492 152039578 /nfs/dbraw/zinc/03/95/78/152039578.db2.gz QYISKTJIMMGRSS-CYBMUJFWSA-N 0 0 331.284 3.073 10 5 EGBERN Cc1c(C(=O)NCCc2c[nH]c3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC000116821905 152077892 /nfs/dbraw/zinc/07/78/92/152077892.db2.gz FIATUCGUBSGZIO-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])s1 ZINC000116820445 152078053 /nfs/dbraw/zinc/07/80/53/152078053.db2.gz RXPCPSINMNLWBX-UHFFFAOYSA-N 0 0 333.344 3.249 10 5 EGBERN Nc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000117857664 152119438 /nfs/dbraw/zinc/11/94/38/152119438.db2.gz SROLHECMOWJHDZ-UHFFFAOYSA-N 0 0 329.381 3.168 10 5 EGBERN CCOc1ccc(C(=O)N2CCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000118277159 152135515 /nfs/dbraw/zinc/13/55/15/152135515.db2.gz ZXLVTJJZUWREGX-UHFFFAOYSA-N 0 0 346.314 3.172 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nccn1CC(C)C ZINC000119815467 152228846 /nfs/dbraw/zinc/22/88/46/152228846.db2.gz CNWAIEKXIGPRRH-UHFFFAOYSA-N 0 0 345.403 3.386 10 5 EGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1c1ccco1 ZINC000121408441 152348590 /nfs/dbraw/zinc/34/85/90/152348590.db2.gz GHVCPHCDMMAWGY-GHMZBOCLSA-N 0 0 344.323 3.091 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])N(CC(F)F)CC1CCC1 ZINC000341583950 155367099 /nfs/dbraw/zinc/36/70/99/155367099.db2.gz WRCPCUDSQISFND-UHFFFAOYSA-N 0 0 327.331 3.172 10 5 EGBERN CO[C@@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000190346963 153133260 /nfs/dbraw/zinc/13/32/60/153133260.db2.gz PRZMHZPUCPFZJZ-GOEBONIOSA-N 0 0 335.404 3.082 10 5 EGBERN CO[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000191641482 153213170 /nfs/dbraw/zinc/21/31/70/153213170.db2.gz FFJFDLMDEVJVPP-DGCLKSJQSA-N 0 0 338.429 3.393 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000194259709 153328035 /nfs/dbraw/zinc/32/80/35/153328035.db2.gz GFPMJIKZNSIQDG-MLGOLLRUSA-N 0 0 341.367 3.479 10 5 EGBERN C[C@H]1CCCC[C@H]1OCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219654 153388361 /nfs/dbraw/zinc/38/83/61/153388361.db2.gz JNIHDYYEYNPPJI-YVEFUNNKSA-N 0 0 345.399 3.401 10 5 EGBERN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000325112179 154176435 /nfs/dbraw/zinc/17/64/35/154176435.db2.gz HBWGKCLEVQBMQK-OLZOCXBDSA-N 0 0 329.404 3.325 10 5 EGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccoc1C1CC1 ZINC000336925310 154241165 /nfs/dbraw/zinc/24/11/65/154241165.db2.gz KXDYWIFBSLVRPI-UHFFFAOYSA-N 0 0 339.311 3.103 10 5 EGBERN Cc1nn(C)c(C)c1[C@H](NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000339853089 155002727 /nfs/dbraw/zinc/00/27/27/155002727.db2.gz MZWTZLPBBHDODM-AWEZNQCLSA-N 0 0 342.321 3.338 10 5 EGBERN C[C@@H](NC(=O)Nc1cnc(CC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000346852043 156165212 /nfs/dbraw/zinc/16/52/12/156165212.db2.gz PKVFJNSWMSEXQS-LLVKDONJSA-N 0 0 341.371 3.220 10 5 EGBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@@H](C(F)(F)F)C3)n2)nc1 ZINC000346865666 156170044 /nfs/dbraw/zinc/17/00/44/156170044.db2.gz GSGKABDKEIHXSN-RKDXNWHRSA-N 0 0 342.277 3.410 10 5 EGBERN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000346882170 156175600 /nfs/dbraw/zinc/17/56/00/156175600.db2.gz RMMUKMMMFBGCBS-INIZCTEOSA-N 0 0 342.395 3.317 10 5 EGBERN CC(C)[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000346880581 156176407 /nfs/dbraw/zinc/17/64/07/156176407.db2.gz DGRHXSUUQAAGNM-AWEZNQCLSA-N 0 0 343.305 3.253 10 5 EGBERN COc1cc2c(cc1F)CN(C(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000346983869 156230837 /nfs/dbraw/zinc/23/08/37/156230837.db2.gz NMTMLSLFBMNBJN-UHFFFAOYSA-N 0 0 336.344 3.003 10 5 EGBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000356450724 156697227 /nfs/dbraw/zinc/69/72/27/156697227.db2.gz XHBOEWUNQTXPNF-GFCCVEGCSA-N 0 0 340.326 3.458 10 5 EGBERN O=C(CCOCC1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000360068540 156903873 /nfs/dbraw/zinc/90/38/73/156903873.db2.gz JVUBBACABGKDEB-UHFFFAOYSA-N 0 0 332.278 3.369 10 5 EGBERN COc1ccccc1N(C(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C ZINC000362172420 157057494 /nfs/dbraw/zinc/05/74/94/157057494.db2.gz CGXOJXJLOOVIIZ-UHFFFAOYSA-N 0 0 329.356 3.362 10 5 EGBERN COc1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1F ZINC000372789634 157385357 /nfs/dbraw/zinc/38/53/57/157385357.db2.gz YFZMPZZRHJAUTF-GFCCVEGCSA-N 0 0 348.378 3.489 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000378087929 157466372 /nfs/dbraw/zinc/46/63/72/157466372.db2.gz LETVEOMXGFIKGA-LJQANCHMSA-N 0 0 340.379 3.164 10 5 EGBERN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000105984915 162061088 /nfs/dbraw/zinc/06/10/88/162061088.db2.gz FKIMFYLAJCBUMS-UHFFFAOYSA-N 0 0 338.360 3.433 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109088295 162091590 /nfs/dbraw/zinc/09/15/90/162091590.db2.gz GQLNGHJZXWOUBW-OLZOCXBDSA-N 0 0 332.306 3.293 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110347968 162124797 /nfs/dbraw/zinc/12/47/97/162124797.db2.gz DYNNSPNGFORRLU-OAHLLOKOSA-N 0 0 341.411 3.154 10 5 EGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110444417 162127576 /nfs/dbraw/zinc/12/75/76/162127576.db2.gz PELFRIQIJHXBQF-JKSUJKDBSA-N 0 0 340.379 3.284 10 5 EGBERN CCCc1occc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000336880180 163087182 /nfs/dbraw/zinc/08/71/82/163087182.db2.gz BSPPPCIZHIYNRI-UHFFFAOYSA-N 0 0 343.383 3.103 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000337070731 163121369 /nfs/dbraw/zinc/12/13/69/163121369.db2.gz OHGMZPIGUDGUHL-UHFFFAOYSA-N 0 0 349.253 3.012 10 5 EGBERN Cc1ccc(C(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000354324588 166003152 /nfs/dbraw/zinc/00/31/52/166003152.db2.gz NTXAWVWESGVVMO-UHFFFAOYSA-N 0 0 338.367 3.445 10 5 EGBERN Cc1c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cccc1[N+](=O)[O-] ZINC000338500519 163248408 /nfs/dbraw/zinc/24/84/08/163248408.db2.gz HKAJJFCWOUCMBK-UHFFFAOYSA-N 0 0 339.351 3.385 10 5 EGBERN COC(=O)c1csc(Sc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000338817772 163356128 /nfs/dbraw/zinc/35/61/28/163356128.db2.gz UYWGETORMJERDU-UHFFFAOYSA-N 0 0 332.309 3.267 10 5 EGBERN Cc1[nH]c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2c1C ZINC000354373873 166011946 /nfs/dbraw/zinc/01/19/46/166011946.db2.gz WITHTXISVFEQLL-UHFFFAOYSA-N 0 0 338.367 3.205 10 5 EGBERN O=C(COc1ccnc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000340706939 163650185 /nfs/dbraw/zinc/65/01/85/163650185.db2.gz FFTRLVODZWMQNP-UHFFFAOYSA-N 0 0 326.230 3.270 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1C ZINC000354750864 166023090 /nfs/dbraw/zinc/02/30/90/166023090.db2.gz ANXXXUIDHIGNFI-CVEARBPZSA-N 0 0 346.408 3.046 10 5 EGBERN CSCCCN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000342167937 163804417 /nfs/dbraw/zinc/80/44/17/163804417.db2.gz HPZZHUMSZLYJCQ-UHFFFAOYSA-N 0 0 334.344 3.021 10 5 EGBERN Cc1ccncc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000343681064 164010671 /nfs/dbraw/zinc/01/06/71/164010671.db2.gz QCTRETVAJVPJEI-GQCTYLIASA-N 0 0 338.411 3.134 10 5 EGBERN COc1cc(N2CCC=C(c3ccncc3)C2)c(F)cc1[N+](=O)[O-] ZINC000343992585 164078388 /nfs/dbraw/zinc/07/83/88/164078388.db2.gz ZACWPKWODXEDPE-UHFFFAOYSA-N 0 0 329.331 3.431 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccc2ccccc2n1 ZINC000344113920 164106207 /nfs/dbraw/zinc/10/62/07/164106207.db2.gz KGOOEYWNBWPWNW-UHFFFAOYSA-N 0 0 335.363 3.044 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C2CC2)oc1C ZINC000344195398 164123537 /nfs/dbraw/zinc/12/35/37/164123537.db2.gz BJOSHDMQLVZHTG-UHFFFAOYSA-N 0 0 331.328 3.420 10 5 EGBERN Cc1ccc(C(=O)CCC(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1C ZINC000344202551 164125806 /nfs/dbraw/zinc/12/58/06/164125806.db2.gz ULFDLQKPWBPINS-UHFFFAOYSA-N 0 0 341.367 3.233 10 5 EGBERN Cc1c(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)sc2nccc(C)c12 ZINC000344215599 164128518 /nfs/dbraw/zinc/12/85/18/164128518.db2.gz NJUDAFURTBHNQR-UHFFFAOYSA-N 0 0 342.380 3.493 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cn1 ZINC000344435206 164178129 /nfs/dbraw/zinc/17/81/29/164178129.db2.gz OWPGXCRZQKXSCF-CQSZACIVSA-N 0 0 337.738 3.360 10 5 EGBERN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000266493586 287051950 /nfs/dbraw/zinc/05/19/50/287051950.db2.gz TYNMOEMPXGREPR-OLZOCXBDSA-N 0 0 348.424 3.410 10 5 EGBERN CC(C)Oc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000345920946 164295437 /nfs/dbraw/zinc/29/54/37/164295437.db2.gz HJTLAAQECXQHJN-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN CSc1ccc(-c2nc(Cc3ccccn3)no2)cc1[N+](=O)[O-] ZINC000346050191 164326504 /nfs/dbraw/zinc/32/65/04/164326504.db2.gz BVMYXPLEWWRUMT-UHFFFAOYSA-N 0 0 328.353 3.353 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C(C)C)C(F)(F)F ZINC000346387441 164378761 /nfs/dbraw/zinc/37/87/61/164378761.db2.gz QWEXLAWDPHCJBD-LLVKDONJSA-N 0 0 335.282 3.312 10 5 EGBERN CSC[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000347365017 164487983 /nfs/dbraw/zinc/48/79/83/164487983.db2.gz ZRRMRATXUKFRRV-SNVBAGLBSA-N 0 0 344.383 3.017 10 5 EGBERN Cc1sc(C(=O)Nc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-] ZINC000347726116 164559138 /nfs/dbraw/zinc/55/91/38/164559138.db2.gz RPMJNCLVQVYQNA-UHFFFAOYSA-N 0 0 329.284 3.213 10 5 EGBERN Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)s1 ZINC000347753586 164567581 /nfs/dbraw/zinc/56/75/81/164567581.db2.gz IBXRBBWOJWBLJL-UHFFFAOYSA-N 0 0 349.397 3.074 10 5 EGBERN Cc1sc(NC(=O)Cc2ccon2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000348132087 164643694 /nfs/dbraw/zinc/64/36/94/164643694.db2.gz GQPRFRBYQNPTOQ-UHFFFAOYSA-N 0 0 344.352 3.196 10 5 EGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1coc2cc(F)ccc12 ZINC000354931410 166066497 /nfs/dbraw/zinc/06/64/97/166066497.db2.gz OEMZOVQMAGOXFN-UHFFFAOYSA-N 0 0 328.299 3.453 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352175445 165270229 /nfs/dbraw/zinc/27/02/29/165270229.db2.gz HFUJQYBIULQDAH-UHFFFAOYSA-N 0 0 347.415 3.054 10 5 EGBERN Cc1c(NC(=O)N2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000352265515 165317138 /nfs/dbraw/zinc/31/71/38/165317138.db2.gz IPMAVWYXVLXRID-KRWDZBQOSA-N 0 0 333.388 3.328 10 5 EGBERN CCC(CC)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccs1 ZINC000355491590 166219082 /nfs/dbraw/zinc/21/90/82/166219082.db2.gz IJSCLJNSUWNHDE-CYBMUJFWSA-N 0 0 336.417 3.297 10 5 EGBERN CC(=O)Nc1ccc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000355710767 166287749 /nfs/dbraw/zinc/28/77/49/166287749.db2.gz AJMLLXZSNWDQQC-UHFFFAOYSA-N 0 0 342.286 3.409 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)OCO4)no2)s1 ZINC000355757274 166299136 /nfs/dbraw/zinc/29/91/36/166299136.db2.gz HUKVGMWRNJMXGI-UHFFFAOYSA-N 0 0 331.309 3.026 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)s1 ZINC000355916252 166347383 /nfs/dbraw/zinc/34/73/83/166347383.db2.gz UVMLAMNKGMHVNL-UHFFFAOYSA-N 0 0 347.274 3.088 10 5 EGBERN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1Cc2ccccc21 ZINC000356062027 166388848 /nfs/dbraw/zinc/38/88/48/166388848.db2.gz PZGKLAIODNUUHW-SFHVURJKSA-N 0 0 333.347 3.367 10 5 EGBERN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000357540571 166705634 /nfs/dbraw/zinc/70/56/34/166705634.db2.gz TVSRXLPTKNTGOH-ZETCQYMHSA-N 0 0 338.726 3.054 10 5 EGBERN Cc1ccncc1CN(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000357830105 166785983 /nfs/dbraw/zinc/78/59/83/166785983.db2.gz DAXJETRCMLQZPE-GFCCVEGCSA-N 0 0 331.347 3.199 10 5 EGBERN Cc1ccsc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358891331 166995399 /nfs/dbraw/zinc/99/53/99/166995399.db2.gz SYTXPDWOSNXQLB-UHFFFAOYSA-N 0 0 342.323 3.496 10 5 EGBERN CCN(C[C@@H]1COc2ccccc2O1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359081110 167062124 /nfs/dbraw/zinc/06/21/24/167062124.db2.gz HYFCMPOLYBXNGO-CQSZACIVSA-N 0 0 343.383 3.273 10 5 EGBERN COCc1ccsc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359128273 167075783 /nfs/dbraw/zinc/07/57/83/167075783.db2.gz HIJHVUIHDMFQOQ-UHFFFAOYSA-N 0 0 334.397 3.117 10 5 EGBERN CC[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000359144900 167080668 /nfs/dbraw/zinc/08/06/68/167080668.db2.gz SUMXPWWDWFKQGE-HNNXBMFYSA-N 0 0 345.399 3.394 10 5 EGBERN CC[C@@H](C)n1ncc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000359162818 167086031 /nfs/dbraw/zinc/08/60/31/167086031.db2.gz FMFPJQGSKUDYJR-LLVKDONJSA-N 0 0 346.387 3.009 10 5 EGBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359196517 167093564 /nfs/dbraw/zinc/09/35/64/167093564.db2.gz LULGUZBAHLFZST-WBMJQRKESA-N 0 0 338.429 3.104 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359206355 167095748 /nfs/dbraw/zinc/09/57/48/167095748.db2.gz YBHWCNFRBUTHOS-LRDDRELGSA-N 0 0 338.429 3.104 10 5 EGBERN O=C(Nc1cc(F)ccc1O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359368812 167137663 /nfs/dbraw/zinc/13/76/63/167137663.db2.gz TTZSBEBQGURIPC-UHFFFAOYSA-N 0 0 342.229 3.293 10 5 EGBERN Cc1noc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000359378398 167141271 /nfs/dbraw/zinc/14/12/71/167141271.db2.gz LNIZXPCXTJEKOF-VIFPVBQESA-N 0 0 339.735 3.259 10 5 EGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC=C(c2cccc(OC)c2)CC1 ZINC000359454031 167160629 /nfs/dbraw/zinc/16/06/29/167160629.db2.gz GVNBBJGGPOVKAQ-UHFFFAOYSA-N 0 0 342.399 3.422 10 5 EGBERN COC[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360404165 167321479 /nfs/dbraw/zinc/32/14/79/167321479.db2.gz BUMSKFGUTHLIGE-AWEZNQCLSA-N 0 0 345.355 3.113 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(CC2)c2ccccc21 ZINC000360481945 167338504 /nfs/dbraw/zinc/33/85/04/167338504.db2.gz IIMVCBRBMIKOAG-ZDUSSCGKSA-N 0 0 337.379 3.474 10 5 EGBERN COc1cc(NCC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000360783434 167411462 /nfs/dbraw/zinc/41/14/62/167411462.db2.gz TXUFZBCMIZKVIM-LLVKDONJSA-N 0 0 348.330 3.385 10 5 EGBERN O=[N+]([O-])c1ccccc1NCc1nc(-c2ncsc2Cl)no1 ZINC000361363681 167603091 /nfs/dbraw/zinc/60/30/91/167603091.db2.gz IJEJRNAFWLYXGQ-UHFFFAOYSA-N 0 0 337.748 3.367 10 5 EGBERN CSc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000362644988 167815566 /nfs/dbraw/zinc/81/55/66/167815566.db2.gz DLJPUYZPKIRCDJ-UHFFFAOYSA-N 0 0 335.360 3.089 10 5 EGBERN O=C(Cc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362911745 167860681 /nfs/dbraw/zinc/86/06/81/167860681.db2.gz DDHVYZJLERVLSH-UHFFFAOYSA-N 0 0 338.285 3.473 10 5 EGBERN COC(=O)c1cnc(N[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000365076442 168018846 /nfs/dbraw/zinc/01/88/46/168018846.db2.gz GTXDMOJTLWNUBB-NSHDSACASA-N 0 0 348.384 3.031 10 5 EGBERN CC1=C(c2ccco2)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000366877950 168151674 /nfs/dbraw/zinc/15/16/74/168151674.db2.gz AYCRAFHEIGSBBI-UHFFFAOYSA-N 0 0 327.340 3.090 10 5 EGBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(F)ccc1[N+](=O)[O-] ZINC000367402344 168220642 /nfs/dbraw/zinc/22/06/42/168220642.db2.gz QUSZFPYKCNMVSM-RHSMWYFYSA-N 0 0 344.342 3.384 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(NCc2noc(-c3cccc(F)c3)n2)n1 ZINC000367829837 168275276 /nfs/dbraw/zinc/27/52/76/168275276.db2.gz XZJOEADLBJYEQH-UHFFFAOYSA-N 0 0 329.291 3.099 10 5 EGBERN C[C@H](C1CC1)n1nccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156841824 224725184 /nfs/dbraw/zinc/72/51/84/224725184.db2.gz OIGURZMMVIEARZ-GFCCVEGCSA-N 0 0 343.387 3.127 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000160987592 225521997 /nfs/dbraw/zinc/52/19/97/225521997.db2.gz OWJODCXWZDDFRD-NSHDSACASA-N 0 0 332.381 3.356 10 5 EGBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000123906985 222350753 /nfs/dbraw/zinc/35/07/53/222350753.db2.gz XFRITOMSTZSIDI-LBPRGKRZSA-N 0 0 334.397 3.480 10 5 EGBERN Cc1ccc([C@@H]2CCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000124625746 222455637 /nfs/dbraw/zinc/45/56/37/222455637.db2.gz IJCGAJIHTBBKLU-HNNXBMFYSA-N 0 0 343.383 3.322 10 5 EGBERN Cc1c(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000154979567 264811982 /nfs/dbraw/zinc/81/19/82/264811982.db2.gz LTNDSBVIBQIQPV-BBRMVZONSA-N 0 0 335.404 3.356 10 5 EGBERN COC(=O)c1cc(O[C@@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000174151539 265027534 /nfs/dbraw/zinc/02/75/34/265027534.db2.gz MQSWDWMCFUOTIK-VIFPVBQESA-N 0 0 349.343 3.202 10 5 EGBERN CC[C@@H](NS(=O)(=O)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175111796 265093889 /nfs/dbraw/zinc/09/38/89/265093889.db2.gz ZELSURKWKOBIAB-CQSZACIVSA-N 0 0 328.434 3.402 10 5 EGBERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000175423969 265114109 /nfs/dbraw/zinc/11/41/09/265114109.db2.gz NBKSAZIJMUERJI-JTQLQIEISA-N 0 0 347.396 3.270 10 5 EGBERN CN(C)c1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)ns1 ZINC000176991243 265221677 /nfs/dbraw/zinc/22/16/77/265221677.db2.gz QGMUDTJQIFWMCO-UHFFFAOYSA-N 0 0 348.306 3.110 10 5 EGBERN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1(CC)CC ZINC000177710330 265273983 /nfs/dbraw/zinc/27/39/83/265273983.db2.gz QAKDOVDZFIZDPG-CABCVRRESA-N 0 0 335.404 3.012 10 5 EGBERN COc1cccc(N[C@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000185554867 265496134 /nfs/dbraw/zinc/49/61/34/265496134.db2.gz PFEFDYXGTFOOML-NSHDSACASA-N 0 0 348.790 3.343 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C2CCCC2)n1 ZINC000191548595 265912004 /nfs/dbraw/zinc/91/20/04/265912004.db2.gz SAQHLBDXZJHTQF-MRXNPFEDSA-N 0 0 342.399 3.473 10 5 EGBERN C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193749828 266059105 /nfs/dbraw/zinc/05/91/05/266059105.db2.gz MJKZMLAARVAFAT-QMTHXVAHSA-N 0 0 327.340 3.064 10 5 EGBERN COc1cc(N2CCO[C@H](c3ccsc3)C2)c(F)cc1[N+](=O)[O-] ZINC000271095049 266602228 /nfs/dbraw/zinc/60/22/28/266602228.db2.gz MDFYGJJDOUPXBN-HNNXBMFYSA-N 0 0 338.360 3.382 10 5 EGBERN CC(C)C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000271976529 266750440 /nfs/dbraw/zinc/75/04/40/266750440.db2.gz LDXFIUYVMPODKI-TZMCWYRMSA-N 0 0 345.399 3.400 10 5 EGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1O ZINC000272064536 266764649 /nfs/dbraw/zinc/76/46/49/266764649.db2.gz GXWMLOGCAPTORF-TZMCWYRMSA-N 0 0 340.807 3.117 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000273427914 267037796 /nfs/dbraw/zinc/03/77/96/267037796.db2.gz KNTLEXKULCWLBY-UHFFFAOYSA-N 0 0 339.395 3.167 10 5 EGBERN Cc1ccc(-c2noc(-c3cnn4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000273702419 267086018 /nfs/dbraw/zinc/08/60/18/267086018.db2.gz GWRONHMHVVPBMQ-UHFFFAOYSA-N 0 0 325.328 3.153 10 5 EGBERN Cc1cc(C)c(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(C)c1 ZINC000273862069 267126749 /nfs/dbraw/zinc/12/67/49/267126749.db2.gz GZOZHRWMVVMYOI-UHFFFAOYSA-N 0 0 338.367 3.480 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1OC[C@@H](O)CC(F)(F)F ZINC000276322920 267517990 /nfs/dbraw/zinc/51/79/90/267517990.db2.gz FPYJYUZSKLUJJC-ZETCQYMHSA-N 0 0 344.083 3.049 10 5 EGBERN CC[C@@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000276856907 267641843 /nfs/dbraw/zinc/64/18/43/267641843.db2.gz JVEZAPRWVQQJCY-CABCVRRESA-N 0 0 337.420 3.141 10 5 EGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnn(-c2ccccc2)c1 ZINC000103376896 274626865 /nfs/dbraw/zinc/62/68/65/274626865.db2.gz QIIFWWIOQYBQSC-ZDUSSCGKSA-N 0 0 348.362 3.372 10 5 EGBERN Cc1ccn2cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)nc2c1 ZINC000348912309 274816022 /nfs/dbraw/zinc/81/60/22/274816022.db2.gz RXWDKILMTUALOE-GFCCVEGCSA-N 0 0 336.351 3.142 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2Cc2c(F)cccc2Cl)nc1 ZINC000364909859 275040863 /nfs/dbraw/zinc/04/08/63/275040863.db2.gz XVDUMFOPKPSIHI-SNVBAGLBSA-N 0 0 336.754 3.389 10 5 EGBERN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596688 275129384 /nfs/dbraw/zinc/12/93/84/275129384.db2.gz QPLOQHOJXRJAGV-JTQLQIEISA-N 0 0 328.210 3.254 10 5 EGBERN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000046180668 275136047 /nfs/dbraw/zinc/13/60/47/275136047.db2.gz HXBOCNSHGJHQIW-UHFFFAOYSA-N 0 0 329.356 3.017 10 5 EGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000103326282 275161543 /nfs/dbraw/zinc/16/15/43/275161543.db2.gz JVUCCIXMBGRCCR-DZGCQCFKSA-N 0 0 347.415 3.173 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000106604319 275169354 /nfs/dbraw/zinc/16/93/54/275169354.db2.gz OLAQXOVJBWZWLE-SJORKVTESA-N 0 0 338.363 3.296 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000110567542 275181193 /nfs/dbraw/zinc/18/11/93/275181193.db2.gz SYZDAIKJYDZWAP-PIGZYNQJSA-N 0 0 326.352 3.267 10 5 EGBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116297375 275189378 /nfs/dbraw/zinc/18/93/78/275189378.db2.gz XDMDHIDZTMYUIJ-SWLSCSKDSA-N 0 0 329.356 3.352 10 5 EGBERN CC1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000184986867 275214437 /nfs/dbraw/zinc/21/44/37/275214437.db2.gz IDBCMKWXJFFANW-UHFFFAOYSA-N 0 0 343.383 3.217 10 5 EGBERN COc1cnccc1[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189613618 275220162 /nfs/dbraw/zinc/22/01/62/275220162.db2.gz JUXBZTSXKFISAR-VIFPVBQESA-N 0 0 335.747 3.143 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCN(Cc3ccc(Cl)s3)CC2)s1 ZINC000195506182 275231516 /nfs/dbraw/zinc/23/15/16/275231516.db2.gz UMMNYUNCLURBOA-UHFFFAOYSA-N 0 0 344.849 3.088 10 5 EGBERN CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000278657328 275262823 /nfs/dbraw/zinc/26/28/23/275262823.db2.gz GZZXRJNXWJVGRS-UHFFFAOYSA-N 0 0 337.376 3.204 10 5 EGBERN CCC[C@]12CCCN1C(=O)N([C@@H](C)c1ccccc1[N+](=O)[O-])C2=O ZINC000279863856 275367111 /nfs/dbraw/zinc/36/71/11/275367111.db2.gz BWTNOOBTZYCWKN-YVEFUNNKSA-N 0 0 331.372 3.253 10 5 EGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000281269681 275535416 /nfs/dbraw/zinc/53/54/16/275535416.db2.gz MSYRWCKOECIJKG-OAHLLOKOSA-N 0 0 348.790 3.349 10 5 EGBERN COC(=O)c1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000286483834 276006047 /nfs/dbraw/zinc/00/60/47/276006047.db2.gz QAYKKFVYQBRTRI-UHFFFAOYSA-N 0 0 349.774 3.062 10 5 EGBERN CCCO[C@H]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360118746 276019375 /nfs/dbraw/zinc/01/93/75/276019375.db2.gz RHZBYPWZERIZMJ-AWEZNQCLSA-N 0 0 336.388 3.167 10 5 EGBERN CCC(=O)c1ccc(N2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000286643863 276026801 /nfs/dbraw/zinc/02/68/01/276026801.db2.gz UCNISKQUVUBUSF-UHFFFAOYSA-N 0 0 340.383 3.215 10 5 EGBERN CC[C@H](NC(=O)NC[C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286987464 276067280 /nfs/dbraw/zinc/06/72/80/276067280.db2.gz PDEHMRXWKSYZRQ-NOLJZWGESA-N 0 0 335.404 3.018 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000287712828 276150017 /nfs/dbraw/zinc/15/00/17/276150017.db2.gz DYPZWWRVIYJKLQ-SJKOYZFVSA-N 0 0 328.372 3.081 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@@H]1CC(F)F ZINC000289035781 276281697 /nfs/dbraw/zinc/28/16/97/276281697.db2.gz JQIDCUPQIAUMND-NSHDSACASA-N 0 0 343.330 3.100 10 5 EGBERN CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291938934 276710527 /nfs/dbraw/zinc/71/05/27/276710527.db2.gz MRQAPAUDLFWYBZ-CHWSQXEVSA-N 0 0 342.399 3.202 10 5 EGBERN CN(C)c1ccnc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000361640306 276808137 /nfs/dbraw/zinc/80/81/37/276808137.db2.gz PPSMUVRRMGXCTJ-UHFFFAOYSA-N 0 0 339.355 3.323 10 5 EGBERN CC(=O)c1ccc(N2CCC=C(Br)C2)c([N+](=O)[O-])c1 ZINC000281755030 277110765 /nfs/dbraw/zinc/11/07/65/277110765.db2.gz YHBASEURWCAMQF-UHFFFAOYSA-N 0 0 325.162 3.286 10 5 EGBERN COC(=O)C[C@](C)(NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000353151144 277331150 /nfs/dbraw/zinc/33/11/50/277331150.db2.gz UKTBLPLLNCNJQH-SFHVURJKSA-N 0 0 346.358 3.302 10 5 EGBERN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922274 278369143 /nfs/dbraw/zinc/36/91/43/278369143.db2.gz WMQHFVJDHXMBCG-RHSMWYFYSA-N 0 0 339.395 3.441 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000365548372 279802293 /nfs/dbraw/zinc/80/22/93/279802293.db2.gz PJSOMEOVMBUTDQ-HNNXBMFYSA-N 0 0 348.790 3.199 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)CSCC2 ZINC000376075563 280659348 /nfs/dbraw/zinc/65/93/48/280659348.db2.gz WUEYTDJGCLPYDB-UHFFFAOYSA-N 0 0 335.410 3.401 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000360438686 280663852 /nfs/dbraw/zinc/66/38/52/280663852.db2.gz SNGCUYIMJXLKQQ-UHFFFAOYSA-N 0 0 326.418 3.150 10 5 EGBERN Cc1ccn(-c2ccccc2NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000177351984 281426211 /nfs/dbraw/zinc/42/62/11/281426211.db2.gz IKZPYMXCYXZDCG-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000187504202 294072639 /nfs/dbraw/zinc/07/26/39/294072639.db2.gz XHFRUIDOORVSNX-YPMHNXCESA-N 0 0 326.418 3.288 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncnc3oc(C)c(C)c32)c1 ZINC000118198612 295253836 /nfs/dbraw/zinc/25/38/36/295253836.db2.gz HQMHVUASOWZKRT-UHFFFAOYSA-N 0 0 342.311 3.009 10 5 EGBERN Cc1cc(N2CCO[C@@H]3CCC[C@H]32)c(Br)cc1[N+](=O)[O-] ZINC000408298393 301340002 /nfs/dbraw/zinc/34/00/02/301340002.db2.gz OFQZAJGAAJGYBQ-BXUZGUMPSA-N 0 0 341.205 3.423 10 5 EGBERN Cc1cccc([C@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000366764049 302034785 /nfs/dbraw/zinc/03/47/85/302034785.db2.gz AMZVOIROZLVUCK-OAHLLOKOSA-N 0 0 342.399 3.394 10 5 EGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000075287841 307398583 /nfs/dbraw/zinc/39/85/83/307398583.db2.gz KVJGQIAZDXEGIO-OLZOCXBDSA-N 0 0 328.372 3.041 10 5 EGBERN CCc1ccc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000134564227 307690144 /nfs/dbraw/zinc/69/01/44/307690144.db2.gz BWAVABQOLZCXMS-YOEHRIQHSA-N 0 0 334.416 3.218 10 5 EGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(CCCC3)CC2)c1 ZINC000154220875 307790423 /nfs/dbraw/zinc/79/04/23/307790423.db2.gz YBJTXLJXLBMOPE-UHFFFAOYSA-N 0 0 338.429 3.081 10 5 EGBERN CC(=O)c1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000157883319 307851666 /nfs/dbraw/zinc/85/16/66/307851666.db2.gz BJLYIXOEERUTRT-UHFFFAOYSA-N 0 0 339.351 3.388 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650254 308008530 /nfs/dbraw/zinc/00/85/30/308008530.db2.gz UQFYNGXABRCPOA-YJBOKZPZSA-N 0 0 348.349 3.489 10 5 EGBERN C[C@]12CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000292951315 308083549 /nfs/dbraw/zinc/08/35/49/308083549.db2.gz VHPZZBJKIVPBSH-YPMHNXCESA-N 0 0 330.718 3.366 10 5 EGBERN C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000294936437 308273918 /nfs/dbraw/zinc/27/39/18/308273918.db2.gz LDKPIXQTRDCQLN-KRWDZBQOSA-N 0 0 335.379 3.159 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@](C)(F)C1 ZINC000295410057 308324036 /nfs/dbraw/zinc/32/40/36/308324036.db2.gz MTESWEPHPCLSCU-BMIGLBTASA-N 0 0 343.786 3.399 10 5 EGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@](C)(F)C1 ZINC000295410076 308324140 /nfs/dbraw/zinc/32/41/40/308324140.db2.gz MTESWEPHPCLSCU-MEBBXXQBSA-N 0 0 343.786 3.399 10 5 EGBERN Cc1nn(CCC(=O)Nc2ccc3c(c2)CCCC3)c(C)c1[N+](=O)[O-] ZINC000295614720 308343851 /nfs/dbraw/zinc/34/38/51/308343851.db2.gz JEHNGLAKEUWQAN-UHFFFAOYSA-N 0 0 342.399 3.316 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000295868431 308368899 /nfs/dbraw/zinc/36/88/99/308368899.db2.gz FGLGHKLHQUFNCD-ONGXEEELSA-N 0 0 345.321 3.418 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000297471819 308537110 /nfs/dbraw/zinc/53/71/10/308537110.db2.gz DCVITVFVBMMHSY-GDZNZVCISA-N 0 0 343.383 3.077 10 5 EGBERN Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])nc(-c2cccnc2)n1 ZINC000301133103 308689438 /nfs/dbraw/zinc/68/94/38/308689438.db2.gz XXHPBFQRZQKMRC-UHFFFAOYSA-N 0 0 336.307 3.360 10 5 EGBERN Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301274308 308694483 /nfs/dbraw/zinc/69/44/83/308694483.db2.gz YITIVDFRXDAPBH-CABCVRRESA-N 0 0 328.372 3.076 10 5 EGBERN COc1ccccc1N1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301602288 308706877 /nfs/dbraw/zinc/70/68/77/308706877.db2.gz JZISBSIYEYKIJW-ZDUSSCGKSA-N 0 0 331.347 3.433 10 5 EGBERN COc1cc(NCCc2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1F ZINC000301610332 308707293 /nfs/dbraw/zinc/70/72/93/308707293.db2.gz CJTANXPZZHAOJB-UHFFFAOYSA-N 0 0 332.331 3.332 10 5 EGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCc4cc(F)ccc43)cc2N1 ZINC000301683503 308710705 /nfs/dbraw/zinc/71/07/05/308710705.db2.gz KNEOBFDLOPPSAF-GFCCVEGCSA-N 0 0 343.314 3.164 10 5 EGBERN COC(=O)c1cc(N2CCS[C@@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301695628 308711263 /nfs/dbraw/zinc/71/12/63/308711263.db2.gz PKUJNAQUXXSGCX-CQSZACIVSA-N 0 0 338.429 3.268 10 5 EGBERN COc1cc(N(C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1F ZINC000301740587 308713408 /nfs/dbraw/zinc/71/34/08/308713408.db2.gz DNQAHQMWVLOGNZ-UHFFFAOYSA-N 0 0 333.363 3.445 10 5 EGBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301811941 308716329 /nfs/dbraw/zinc/71/63/29/308716329.db2.gz XVRRYMSTVFZVEU-JQWIXIFHSA-N 0 0 344.458 3.084 10 5 EGBERN CC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(OC)cc1 ZINC000301827690 308717254 /nfs/dbraw/zinc/71/72/54/308717254.db2.gz FTLBJIUFBXQPTL-ZDUSSCGKSA-N 0 0 327.344 3.209 10 5 EGBERN COC(=O)c1cc(NCc2nc(C)sc2C)cc(C)c1[N+](=O)[O-] ZINC000301845882 308718020 /nfs/dbraw/zinc/71/80/20/308718020.db2.gz TYDQZXCBONTXTN-UHFFFAOYSA-N 0 0 335.385 3.375 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCc3ccc(Cl)cc3)nn21 ZINC000301952496 308722873 /nfs/dbraw/zinc/72/28/73/308722873.db2.gz CEECOGKWSJKCQO-UHFFFAOYSA-N 0 0 331.763 3.336 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000301982153 308723973 /nfs/dbraw/zinc/72/39/73/308723973.db2.gz AGATZTFJHWJVRR-CRAIPNDOSA-N 0 0 328.368 3.277 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000302014568 308725094 /nfs/dbraw/zinc/72/50/94/308725094.db2.gz BQWAEKYHVMDQCA-LBPRGKRZSA-N 0 0 349.337 3.056 10 5 EGBERN C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026373 308725750 /nfs/dbraw/zinc/72/57/50/308725750.db2.gz IEMTXMKAVRDUPC-GTNSWQLSSA-N 0 0 334.347 3.150 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)cc2OC)c1 ZINC000302133961 308730147 /nfs/dbraw/zinc/73/01/47/308730147.db2.gz CQKRBWBZMJFRAK-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nc(C)n3C)c1 ZINC000302158109 308731249 /nfs/dbraw/zinc/73/12/49/308731249.db2.gz JELRUTTZYJYSQN-UHFFFAOYSA-N 0 0 340.339 3.320 10 5 EGBERN Cc1nn(C)c(NCCc2cn(C)c3cc(C)ccc23)c1[N+](=O)[O-] ZINC000302510439 308738601 /nfs/dbraw/zinc/73/86/01/308738601.db2.gz SHUMFZNLASQUBW-UHFFFAOYSA-N 0 0 327.388 3.091 10 5 EGBERN CC(C)c1nnc2n1CCN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]2C ZINC000302594912 308740294 /nfs/dbraw/zinc/74/02/94/308740294.db2.gz XELHMRIGFISYPZ-SECBINFHSA-N 0 0 337.330 3.169 10 5 EGBERN O=C1[C@@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000302727176 308743353 /nfs/dbraw/zinc/74/33/53/308743353.db2.gz OKLSAGUNELVGPV-LBPRGKRZSA-N 0 0 335.360 3.008 10 5 EGBERN COc1cc(OC)c2ncnc(Oc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000302872093 308748804 /nfs/dbraw/zinc/74/88/04/308748804.db2.gz ZOYDPVCVJLYAGA-UHFFFAOYSA-N 0 0 327.296 3.348 10 5 EGBERN CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000331292052 308803859 /nfs/dbraw/zinc/80/38/59/308803859.db2.gz BOQWKQOOXRPRHN-DZGCQCFKSA-N 0 0 334.416 3.125 10 5 EGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000410739665 308920694 /nfs/dbraw/zinc/92/06/94/308920694.db2.gz JQQGYNMBQYJGJB-UTLUCORTSA-N 0 0 346.305 3.252 10 5 EGBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000412298360 308979697 /nfs/dbraw/zinc/97/96/97/308979697.db2.gz YIKKHCKOATZKCW-DDTOSNHZSA-N 0 0 342.317 3.499 10 5 EGBERN CC(C)c1ccc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412454439 308987058 /nfs/dbraw/zinc/98/70/58/308987058.db2.gz FRPNEUAODGFKAW-KRWDZBQOSA-N 0 0 332.400 3.359 10 5 EGBERN C[C@@H]1CC(C)(C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000412781833 309002315 /nfs/dbraw/zinc/00/23/15/309002315.db2.gz MWFAUYYDMJDOMS-GFCCVEGCSA-N 0 0 343.383 3.169 10 5 EGBERN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412841405 309005492 /nfs/dbraw/zinc/00/54/92/309005492.db2.gz PCDNKFCUYOHKCT-UHFFFAOYSA-N 0 0 342.399 3.431 10 5 EGBERN CCOC(=O)c1cc(C(=O)N(CC)C2CC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000412847031 309005768 /nfs/dbraw/zinc/00/57/68/309005768.db2.gz XUAGEJRREYASHR-UHFFFAOYSA-N 0 0 348.399 3.422 10 5 EGBERN CCO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2F)cs1 ZINC000413168685 309019343 /nfs/dbraw/zinc/01/93/43/309019343.db2.gz NBFNBEMOEZORKH-VIFPVBQESA-N 0 0 340.380 3.319 10 5 EGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000413194096 309020792 /nfs/dbraw/zinc/02/07/92/309020792.db2.gz BFIJJFLLPVHFKJ-MNOVXSKESA-N 0 0 345.321 3.262 10 5 EGBERN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000413195897 309020854 /nfs/dbraw/zinc/02/08/54/309020854.db2.gz NOQKPAZLLRGVSE-ZETCQYMHSA-N 0 0 329.282 3.083 10 5 EGBERN Cc1ccncc1N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413272417 309024470 /nfs/dbraw/zinc/02/44/70/309024470.db2.gz RGXCKPZFSNBHMU-UHFFFAOYSA-N 0 0 349.394 3.173 10 5 EGBERN CCOC(=O)C1CCC(Sc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413311844 309026236 /nfs/dbraw/zinc/02/62/36/309026236.db2.gz JEIYZHLPKMJRNR-UHFFFAOYSA-N 0 0 328.365 3.343 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000413371587 309029310 /nfs/dbraw/zinc/02/93/10/309029310.db2.gz WTXZZYMBBYFICX-DYVFJYSZSA-N 0 0 347.415 3.175 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCSC3(CCC3)CC2)c1 ZINC000413479810 309033756 /nfs/dbraw/zinc/03/37/56/309033756.db2.gz KMCHLPMJSQNEQX-UHFFFAOYSA-N 0 0 336.413 3.247 10 5 EGBERN COc1ccc(CNC(=O)C2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000414967291 309111976 /nfs/dbraw/zinc/11/19/76/309111976.db2.gz AVVRYBJWXKSUFX-UHFFFAOYSA-N 0 0 346.305 3.342 10 5 EGBERN Cc1cc(S(=O)(=O)N([C@@H](C)C2CC2)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416367528 309170257 /nfs/dbraw/zinc/17/02/57/309170257.db2.gz GCPXUXNWSLNONF-LBPRGKRZSA-N 0 0 338.429 3.163 10 5 EGBERN Cc1cc(S(=O)(=O)N(C(C)C)C2CCC2)c(C)cc1[N+](=O)[O-] ZINC000416453294 309171899 /nfs/dbraw/zinc/17/18/99/309171899.db2.gz CPCUNUHTBBASAN-UHFFFAOYSA-N 0 0 326.418 3.163 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000416898184 309185761 /nfs/dbraw/zinc/18/57/61/309185761.db2.gz BHYXUXOZWIZDQT-HNNXBMFYSA-N 0 0 333.388 3.244 10 5 EGBERN CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000420621002 309290448 /nfs/dbraw/zinc/29/04/48/309290448.db2.gz RHXHHHAALGHKMQ-GJZGRUSLSA-N 0 0 327.384 3.448 10 5 EGBERN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(F)(c2ccccc2)CC1 ZINC000420625304 309290712 /nfs/dbraw/zinc/29/07/12/309290712.db2.gz KYZQBAFLJIUYMZ-UHFFFAOYSA-N 0 0 343.358 3.159 10 5 EGBERN CC[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000421036096 309309576 /nfs/dbraw/zinc/30/95/76/309309576.db2.gz FAMUYIPNMDONNF-GXSJLCMTSA-N 0 0 327.768 3.327 10 5 EGBERN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccnn1C ZINC000421538914 309328998 /nfs/dbraw/zinc/32/89/98/309328998.db2.gz HMQDCMGNSZZQHV-LLVKDONJSA-N 0 0 330.388 3.368 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000421787877 309340176 /nfs/dbraw/zinc/34/01/76/309340176.db2.gz VVYMBFFMWKDHEX-RHSMWYFYSA-N 0 0 334.416 3.273 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421864496 309344241 /nfs/dbraw/zinc/34/42/41/309344241.db2.gz BEOGHEPDNGRTBJ-GFCCVEGCSA-N 0 0 329.356 3.106 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421947175 309347594 /nfs/dbraw/zinc/34/75/94/309347594.db2.gz UKOWWKZMWBASAW-SNVBAGLBSA-N 0 0 331.294 3.103 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]12CCOC2 ZINC000422075093 309354101 /nfs/dbraw/zinc/35/41/01/309354101.db2.gz RKFPBYAEHNMVTP-INIZCTEOSA-N 0 0 336.413 3.102 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425023010 309462490 /nfs/dbraw/zinc/46/24/90/309462490.db2.gz XTQVTBNANBFZBE-CRAIPNDOSA-N 0 0 344.342 3.361 10 5 EGBERN COc1cc(C)c([S@](C)=O)cc1Oc1cc(C)c([N+](=O)[O-])cn1 ZINC000425275957 309471010 /nfs/dbraw/zinc/47/10/10/309471010.db2.gz OOQIDDSBGTWNLH-QHCPKHFHSA-N 0 0 336.369 3.145 10 5 EGBERN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000426773966 309515844 /nfs/dbraw/zinc/51/58/44/309515844.db2.gz RSCXHABSQPPNQK-QGZVFWFLSA-N 0 0 344.367 3.217 10 5 EGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428077508 309541801 /nfs/dbraw/zinc/54/18/01/309541801.db2.gz FUBLRCMNLPNWQN-MSRIBSCDSA-N 0 0 326.805 3.255 10 5 EGBERN Cc1ccc(C)c(CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000428412011 309550234 /nfs/dbraw/zinc/55/02/34/309550234.db2.gz UYRNBQPUDYKEID-UHFFFAOYSA-N 0 0 348.424 3.173 10 5 EGBERN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000430678321 309614606 /nfs/dbraw/zinc/61/46/06/309614606.db2.gz MEJNZNAMKDPTKV-LBPRGKRZSA-N 0 0 335.385 3.006 10 5 EGBERN Cc1cc(OCC(=O)N2CC3(CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC000430679411 309614815 /nfs/dbraw/zinc/61/48/15/309614815.db2.gz POHJKCSGKUGHRE-UHFFFAOYSA-N 0 0 338.363 3.360 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[C@H]1C1CC1 ZINC000431204023 309627756 /nfs/dbraw/zinc/62/77/56/309627756.db2.gz RSVXNYLNFIVPIM-VHSXEESVSA-N 0 0 327.287 3.116 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000432329223 309657639 /nfs/dbraw/zinc/65/76/39/309657639.db2.gz ZJWPACYHHXNWOR-LLVKDONJSA-N 0 0 333.779 3.119 10 5 EGBERN Cc1nc([C@](C)(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000432475371 309661904 /nfs/dbraw/zinc/66/19/04/309661904.db2.gz GLNHLNDGYFNALB-MRXNPFEDSA-N 0 0 345.359 3.042 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000432547047 309663416 /nfs/dbraw/zinc/66/34/16/309663416.db2.gz QRNPIRUETKHNPT-BXUZGUMPSA-N 0 0 338.429 3.250 10 5 EGBERN Cc1noc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000433216229 309682598 /nfs/dbraw/zinc/68/25/98/309682598.db2.gz WGBSFPAMJFVNIU-UHFFFAOYSA-N 0 0 340.133 3.214 10 5 EGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433244975 309683476 /nfs/dbraw/zinc/68/34/76/309683476.db2.gz HXJNWLVTJYCTOU-DOMZBBRYSA-N 0 0 346.383 3.402 10 5 EGBERN CCOc1cccc(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000433575617 309691552 /nfs/dbraw/zinc/69/15/52/309691552.db2.gz VCAQPCSRKCOGFJ-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000434770245 309719682 /nfs/dbraw/zinc/71/96/82/309719682.db2.gz ZCJJRZNLFXDWLS-UHFFFAOYSA-N 0 0 348.424 3.341 10 5 EGBERN Cc1nn([C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000436473658 309756354 /nfs/dbraw/zinc/75/63/54/309756354.db2.gz KGGGTPGVQAXYAM-ZETCQYMHSA-N 0 0 344.158 3.001 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000437914471 309803212 /nfs/dbraw/zinc/80/32/12/309803212.db2.gz JLLDNLSGCGXMEG-SECBINFHSA-N 0 0 334.307 3.020 10 5 EGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000438497837 309815399 /nfs/dbraw/zinc/81/53/99/309815399.db2.gz LNCZPJDVBVTWIK-GOSISDBHSA-N 0 0 346.383 3.402 10 5 EGBERN CC(C)c1ccc(C(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000438956450 309823242 /nfs/dbraw/zinc/82/32/42/309823242.db2.gz WUNATJRMCZQICE-UHFFFAOYSA-N 0 0 331.376 3.317 10 5 EGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439280905 309830461 /nfs/dbraw/zinc/83/04/61/309830461.db2.gz SXLRTUGZECBYSS-NEPJUHHUSA-N 0 0 338.791 3.137 10 5 EGBERN CC1CCN(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443045466 309894049 /nfs/dbraw/zinc/89/40/49/309894049.db2.gz IFIANMSLFMLHLL-OAHLLOKOSA-N 0 0 335.429 3.494 10 5 EGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)Cc1cccc(OC)c1 ZINC000443455888 309901500 /nfs/dbraw/zinc/90/15/00/309901500.db2.gz QYRIPLFYBMHNBG-GFCCVEGCSA-N 0 0 343.383 3.006 10 5 EGBERN CCCc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444632262 309923578 /nfs/dbraw/zinc/92/35/78/309923578.db2.gz OPAYOVSMKUIMDX-UHFFFAOYSA-N 0 0 338.367 3.354 10 5 EGBERN CCc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)o1 ZINC000445230319 309938114 /nfs/dbraw/zinc/93/81/14/309938114.db2.gz HNPMYENGQAPHHU-BQYQJAHWSA-N 0 0 326.312 3.289 10 5 EGBERN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445662315 309945134 /nfs/dbraw/zinc/94/51/34/309945134.db2.gz AAELHGODEKSDFK-IHRRRGAJSA-N 0 0 342.399 3.362 10 5 EGBERN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])o1 ZINC000447715118 309986361 /nfs/dbraw/zinc/98/63/61/309986361.db2.gz PWYVCEPPMUKQRI-NSHDSACASA-N 0 0 332.209 3.202 10 5 EGBERN CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000449907911 310093436 /nfs/dbraw/zinc/09/34/36/310093436.db2.gz QQRJXHMKGXBJSK-ZDUSSCGKSA-N 0 0 347.396 3.282 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000450383937 310119399 /nfs/dbraw/zinc/11/93/99/310119399.db2.gz AISWYGJMODXPDR-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2NCC1(CO)CC2(CCC2)C1 ZINC000450480239 310125189 /nfs/dbraw/zinc/12/51/89/310125189.db2.gz ARDXGYLKGBADHR-UHFFFAOYSA-N 0 0 327.384 3.498 10 5 EGBERN COc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)ccc1Cl ZINC000450690416 310137581 /nfs/dbraw/zinc/13/75/81/310137581.db2.gz GSTPKVYQMPGBIQ-UHFFFAOYSA-N 0 0 333.775 3.210 10 5 EGBERN COc1cc(OC)c(C[C@H](C)Nc2ncccc2[N+](=O)[O-])c(OC)c1 ZINC000450712386 310138840 /nfs/dbraw/zinc/13/88/40/310138840.db2.gz QTFCIDPSOQHVMG-NSHDSACASA-N 0 0 347.371 3.059 10 5 EGBERN O=[N+]([O-])c1cnc(N2C[C@H](C3CC3)[C@H]2C2CC2)c(Br)c1 ZINC000450796764 310143089 /nfs/dbraw/zinc/14/30/89/310143089.db2.gz PRAXMTLDZAQUBZ-DGCLKSJQSA-N 0 0 338.205 3.377 10 5 EGBERN Nc1nc(N2CCCC[C@@H]2c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000450831812 310144770 /nfs/dbraw/zinc/14/47/70/310144770.db2.gz QKVNRDDQDBMPTK-GFCCVEGCSA-N 0 0 333.779 3.182 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@@H]2c2ccc(F)cc2)n1 ZINC000450840373 310145313 /nfs/dbraw/zinc/14/53/13/310145313.db2.gz XDCLXSKZXLQPNT-OAHLLOKOSA-N 0 0 331.347 3.324 10 5 EGBERN Cc1c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271625 310169017 /nfs/dbraw/zinc/16/90/17/310169017.db2.gz VFQULMBQYVGANM-MJGOQNOKSA-N 0 0 344.386 3.203 10 5 EGBERN CC1=C[C@@H](C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000451591129 310188249 /nfs/dbraw/zinc/18/82/49/310188249.db2.gz CZLXKQFEAKLOIS-LLVKDONJSA-N 0 0 326.356 3.023 10 5 EGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872368 310201338 /nfs/dbraw/zinc/20/13/38/310201338.db2.gz MGONQYKATXLMHH-STQMWFEESA-N 0 0 345.365 3.472 10 5 EGBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452095023 310211848 /nfs/dbraw/zinc/21/18/48/310211848.db2.gz KJCOHHMVWYQUFH-UHFFFAOYSA-N 0 0 340.445 3.324 10 5 EGBERN C[C@@]12CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452601568 310234126 /nfs/dbraw/zinc/23/41/26/310234126.db2.gz NXUXOLXJCUWGDV-RGFKIIKPSA-N 0 0 344.436 3.358 10 5 EGBERN C[C@@]12CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452607615 310234545 /nfs/dbraw/zinc/23/45/45/310234545.db2.gz TYEYXZQNURIJIQ-YEWFCNIMSA-N 0 0 326.396 3.198 10 5 EGBERN O=C1CCC(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453239597 310266178 /nfs/dbraw/zinc/26/61/78/310266178.db2.gz QJMMYCCFCWAIMK-UHFFFAOYSA-N 0 0 342.355 3.230 10 5 EGBERN Cc1nscc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453241305 310266322 /nfs/dbraw/zinc/26/63/22/310266322.db2.gz UITDIFKGBRJWSY-UHFFFAOYSA-N 0 0 343.368 3.435 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000454547553 310316113 /nfs/dbraw/zinc/31/61/13/310316113.db2.gz HXQCPZPYXMCNQF-QGZVFWFLSA-N 0 0 337.395 3.451 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000454613585 310320122 /nfs/dbraw/zinc/32/01/22/310320122.db2.gz NMXDMGRELQIJRE-KBXCAEBGSA-N 0 0 347.415 3.176 10 5 EGBERN COC(=O)c1cc(NC(=O)N[C@H](C)C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000455260679 310352826 /nfs/dbraw/zinc/35/28/26/310352826.db2.gz VHFDHIUXIAZRPQ-LLVKDONJSA-N 0 0 349.387 3.390 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(CF)CCOCC1 ZINC000456118315 310389253 /nfs/dbraw/zinc/38/92/53/310389253.db2.gz HCRWUJUSBOFIMB-UHFFFAOYSA-N 0 0 338.379 3.016 10 5 EGBERN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000456127759 310389737 /nfs/dbraw/zinc/38/97/37/310389737.db2.gz ZDQGJJLBVKLVQM-UHFFFAOYSA-N 0 0 326.343 3.358 10 5 EGBERN CO[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000456133875 310390008 /nfs/dbraw/zinc/39/00/08/310390008.db2.gz GENKDYQIZCQSLP-SKDRFNHKSA-N 0 0 346.305 3.111 10 5 EGBERN CC(C)(C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1cnc[nH]1 ZINC000456138017 310390192 /nfs/dbraw/zinc/39/01/92/310390192.db2.gz JZSJMYDQMAZSEL-CQSZACIVSA-N 0 0 342.399 3.002 10 5 EGBERN CCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456238789 310394535 /nfs/dbraw/zinc/39/45/35/310394535.db2.gz BASVTIUITFQCHT-RHSMWYFYSA-N 0 0 330.384 3.254 10 5 EGBERN CO[C@@H]([C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000456558761 310412306 /nfs/dbraw/zinc/41/23/06/310412306.db2.gz KLUIDJUPOBHGCX-OTYXRUKQSA-N 0 0 326.780 3.100 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456566973 310412673 /nfs/dbraw/zinc/41/26/73/310412673.db2.gz ORLCHNIOYAPTJS-KRWDZBQOSA-N 0 0 326.352 3.484 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@]2(CCOC2)C1 ZINC000456747438 310421002 /nfs/dbraw/zinc/42/10/02/310421002.db2.gz ZZIBGXYXINEIEI-QGZVFWFLSA-N 0 0 346.408 3.452 10 5 EGBERN CC[C@@H](NC(=O)N1CC(F)(F)C(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000458525163 310508250 /nfs/dbraw/zinc/50/82/50/310508250.db2.gz XAAMYZDPVVPLFG-LLVKDONJSA-N 0 0 349.284 3.342 10 5 EGBERN CC(C)(O)C(C)(C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459083344 310533050 /nfs/dbraw/zinc/53/30/50/310533050.db2.gz GQFIBJIPXNOJKV-UHFFFAOYSA-N 0 0 349.431 3.066 10 5 EGBERN Cc1cc(N2CCO[C@@H](COc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461948848 310594002 /nfs/dbraw/zinc/59/40/02/310594002.db2.gz OQZKZTPOMBGCSF-OAHLLOKOSA-N 0 0 346.358 3.327 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)OCCC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462565803 310601702 /nfs/dbraw/zinc/60/17/02/310601702.db2.gz MCBGQIPCCHINMA-ZDUSSCGKSA-N 0 0 345.399 3.263 10 5 EGBERN CCOc1cccnc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479352675 310873104 /nfs/dbraw/zinc/87/31/04/310873104.db2.gz RWKXZTQGNPURLA-UHFFFAOYSA-N 0 0 349.774 3.014 10 5 EGBERN COC(=O)c1cc(N2CC[C@H](C(F)(F)F)[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000480555478 310896476 /nfs/dbraw/zinc/89/64/76/310896476.db2.gz POFOBKNDVXQNQM-SKDRFNHKSA-N 0 0 346.305 3.467 10 5 EGBERN Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)O2 ZINC000483115689 310942358 /nfs/dbraw/zinc/94/23/58/310942358.db2.gz CODCRHYFHJYCFV-KRWDZBQOSA-N 0 0 326.352 3.260 10 5 EGBERN COC(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000485374118 310976257 /nfs/dbraw/zinc/97/62/57/310976257.db2.gz FMXGDWHMUWAUNI-CVEARBPZSA-N 0 0 348.399 3.326 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000485374209 310976262 /nfs/dbraw/zinc/97/62/62/310976262.db2.gz LGNDZELMOMDOOG-UHFFFAOYSA-N 0 0 333.369 3.269 10 5 EGBERN CCC1(C)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486035583 310986897 /nfs/dbraw/zinc/98/68/97/310986897.db2.gz KJKKCJMLHJTQTF-UHFFFAOYSA-N 0 0 326.343 3.454 10 5 EGBERN COC(=O)c1cc(NC(=O)NC[C@@H](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486893486 311001369 /nfs/dbraw/zinc/00/13/69/311001369.db2.gz KTPJBGOOMSZICQ-SNVBAGLBSA-N 0 0 337.376 3.103 10 5 EGBERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000487024287 311007432 /nfs/dbraw/zinc/00/74/32/311007432.db2.gz GNEILTWWWOGRIU-OCCSQVGLSA-N 0 0 330.388 3.416 10 5 EGBERN CC(C)OC(=O)CC[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487714557 311034942 /nfs/dbraw/zinc/03/49/42/311034942.db2.gz AMUWVAGLHMICNC-LBPRGKRZSA-N 0 0 331.372 3.097 10 5 EGBERN C[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000487720650 311035066 /nfs/dbraw/zinc/03/50/66/311035066.db2.gz NMPXWCLUTINYQS-ROUUACIJSA-N 0 0 327.384 3.182 10 5 EGBERN NC(=O)c1ccc(NCc2ccc(C3CC3)cc2F)c([N+](=O)[O-])c1 ZINC000488489240 311068275 /nfs/dbraw/zinc/06/82/75/311068275.db2.gz ALGWSGFGANURBG-UHFFFAOYSA-N 0 0 329.331 3.322 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488793231 311080247 /nfs/dbraw/zinc/08/02/47/311080247.db2.gz IIFWPLDRSYDQBZ-HUUCEWRRSA-N 0 0 326.418 3.088 10 5 EGBERN CC(C)c1ccc(/C=C\CC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000489222610 311096257 /nfs/dbraw/zinc/09/62/57/311096257.db2.gz CVZBTVJPHCCAAN-ARJAWSKDSA-N 0 0 342.399 3.134 10 5 EGBERN CCOc1cc(N[C@@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489915335 311125040 /nfs/dbraw/zinc/12/50/40/311125040.db2.gz NZVRELSIIPPREC-MRXNPFEDSA-N 0 0 339.355 3.313 10 5 EGBERN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CCCC1 ZINC000490627154 311146966 /nfs/dbraw/zinc/14/69/66/311146966.db2.gz IWHWPYYVKRGCJK-UHFFFAOYSA-N 0 0 328.372 3.185 10 5 EGBERN Cc1ccsc1[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494673389 311501660 /nfs/dbraw/zinc/50/16/60/311501660.db2.gz PZMQYMGYBZINPU-LBPRGKRZSA-N 0 0 326.805 3.441 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)COCC ZINC000494776030 311510637 /nfs/dbraw/zinc/51/06/37/311510637.db2.gz XEUOMUHOCGTTDO-NSHDSACASA-N 0 0 326.418 3.252 10 5 EGBERN O=[N+]([O-])c1cccc(F)c1CN1CCN(Cc2ccccc2)CC1 ZINC000505595225 312027366 /nfs/dbraw/zinc/02/73/66/312027366.db2.gz BYJJZABMZMRGCV-UHFFFAOYSA-N 0 0 329.375 3.052 10 5 EGBERN Cc1ccc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000507842031 312083390 /nfs/dbraw/zinc/08/33/90/312083390.db2.gz QKYBZSWGIOJVKL-UHFFFAOYSA-N 0 0 337.383 3.335 10 5 EGBERN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000511611404 312164020 /nfs/dbraw/zinc/16/40/20/312164020.db2.gz IXJJFCDQQFCZPH-UHFFFAOYSA-N 0 0 328.368 3.274 10 5 EGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000512759012 312194379 /nfs/dbraw/zinc/19/43/79/312194379.db2.gz PWLHVLJALVXZIV-IJLUTSLNSA-N 0 0 344.458 3.294 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCCCO1 ZINC000515118719 312266205 /nfs/dbraw/zinc/26/62/05/312266205.db2.gz JEFJXIOSGDKYLU-UHFFFAOYSA-N 0 0 331.275 3.146 10 5 EGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000515250659 312273352 /nfs/dbraw/zinc/27/33/52/312273352.db2.gz ZQSGFRROOMSTRK-OUAUKWLOSA-N 0 0 326.343 3.309 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1[N+](=O)[O-] ZINC000516199518 312314498 /nfs/dbraw/zinc/31/44/98/312314498.db2.gz JXIBLHURVGEBHG-UHFFFAOYSA-N 0 0 328.372 3.356 10 5 EGBERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000521769717 312557945 /nfs/dbraw/zinc/55/79/45/312557945.db2.gz BAULINKLIBIBTE-UHFFFAOYSA-N 0 0 338.360 3.258 10 5 EGBERN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525940114 312771143 /nfs/dbraw/zinc/77/11/43/312771143.db2.gz BEOQMOAIZSDPAE-MELADBBJSA-N 0 0 331.416 3.454 10 5 EGBERN Cc1cncn1C1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000526017470 312783371 /nfs/dbraw/zinc/78/33/71/312783371.db2.gz QSPODKDGNGPUHQ-AWEZNQCLSA-N 0 0 342.399 3.067 10 5 EGBERN CC(=O)c1c(C)cccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526101226 312793818 /nfs/dbraw/zinc/79/38/18/312793818.db2.gz BZLMOXHQDZZQFV-UHFFFAOYSA-N 0 0 342.307 3.087 10 5 EGBERN COc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cn3)CCCC2)cc1 ZINC000531627836 313692654 /nfs/dbraw/zinc/69/26/54/313692654.db2.gz FXJMGDMJFLQFHT-UHFFFAOYSA-N 0 0 341.367 3.198 10 5 EGBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000531813433 313716723 /nfs/dbraw/zinc/71/67/23/313716723.db2.gz WIWGOWVHJJEDGJ-NSHDSACASA-N 0 0 348.790 3.343 10 5 EGBERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532387735 313792854 /nfs/dbraw/zinc/79/28/54/313792854.db2.gz CVFSAHPRFFNBCA-CQSZACIVSA-N 0 0 329.356 3.335 10 5 EGBERN CC[C@@](C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000535499110 314049228 /nfs/dbraw/zinc/04/92/28/314049228.db2.gz CVSXBWOMNAVMEW-CQSZACIVSA-N 0 0 343.305 3.466 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(C2CCCCC2)n[nH]1 ZINC000536236754 314102049 /nfs/dbraw/zinc/10/20/49/314102049.db2.gz CBYBKLMRZJWXFD-UHFFFAOYSA-N 0 0 342.399 3.338 10 5 EGBERN COc1ccc(OC)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000537138402 314163478 /nfs/dbraw/zinc/16/34/78/314163478.db2.gz OAFNBBGIKZQRQT-LLVKDONJSA-N 0 0 330.340 3.103 10 5 EGBERN CCc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1CC ZINC000540447834 314381124 /nfs/dbraw/zinc/38/11/24/314381124.db2.gz KJFVQVSLYRQHEK-UHFFFAOYSA-N 0 0 330.388 3.290 10 5 EGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCNc1ccccc1F ZINC000542416498 314543375 /nfs/dbraw/zinc/54/33/75/314543375.db2.gz PADZSPZTCDCNFK-UHFFFAOYSA-N 0 0 345.374 3.285 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(COc2ccc(O)cc2)n1 ZINC000548269835 314987601 /nfs/dbraw/zinc/98/76/01/314987601.db2.gz GQNLCSMGWPJIIA-UHFFFAOYSA-N 0 0 327.296 3.238 10 5 EGBERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC000548747768 315042483 /nfs/dbraw/zinc/04/24/83/315042483.db2.gz AVHZNJRSMFNADQ-GXFFZTMASA-N 0 0 332.360 3.087 10 5 EGBERN O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])c1cnccn1 ZINC000551091925 315141757 /nfs/dbraw/zinc/14/17/57/315141757.db2.gz ICCSNFNQORRAGV-UHFFFAOYSA-N 0 0 349.346 3.237 10 5 EGBERN C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1cccc([N+](=O)[O-])c1 ZINC000553003924 315241131 /nfs/dbraw/zinc/24/11/31/315241131.db2.gz AUNRPAWSBCIOCZ-ABAIWWIYSA-N 0 0 326.352 3.208 10 5 EGBERN CCC[C@@H](C)[C@@H]1CCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553147866 315247234 /nfs/dbraw/zinc/24/72/34/315247234.db2.gz WGVNTEJSIRVPFB-RISCZKNCSA-N 0 0 335.404 3.490 10 5 EGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C)(C)CC1 ZINC000555096779 315366547 /nfs/dbraw/zinc/36/65/47/315366547.db2.gz HWIICXZHQCNOMF-UHFFFAOYSA-N 0 0 329.404 3.500 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000557433819 315510324 /nfs/dbraw/zinc/51/03/24/315510324.db2.gz HUZNROPFHVYRHV-BETUJISGSA-N 0 0 338.429 3.346 10 5 EGBERN CCCCn1ncc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000557632580 315523604 /nfs/dbraw/zinc/52/36/04/315523604.db2.gz SCAPLOMAXKSIAR-UHFFFAOYSA-N 0 0 347.375 3.133 10 5 EGBERN Cc1cc(F)ccc1CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000559047473 315615341 /nfs/dbraw/zinc/61/53/41/315615341.db2.gz FLKFRBBWVNCTOJ-UHFFFAOYSA-N 0 0 346.314 3.043 10 5 EGBERN O=C(CO[C@@H]1CCCc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000562376106 315825153 /nfs/dbraw/zinc/82/51/53/315825153.db2.gz NTFSUUIRHMIJMK-GOSISDBHSA-N 0 0 340.379 3.305 10 5 EGBERN CSC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000562898368 315917856 /nfs/dbraw/zinc/91/78/56/315917856.db2.gz MDADGMVBYCPMEF-UHFFFAOYSA-N 0 0 333.413 3.021 10 5 EGBERN COc1cccc([C@@H]2CN(c3c(OC)cccc3[N+](=O)[O-])CCO2)c1 ZINC000564098967 316113535 /nfs/dbraw/zinc/11/35/35/316113535.db2.gz CREAEIGNLVJCBK-KRWDZBQOSA-N 0 0 344.367 3.190 10 5 EGBERN CC1(C)CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564502394 316159832 /nfs/dbraw/zinc/15/98/32/316159832.db2.gz NSPGSHPIDXBGIC-UHFFFAOYSA-N 0 0 330.388 3.060 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C)n1 ZINC000564528450 316162440 /nfs/dbraw/zinc/16/24/40/316162440.db2.gz UPOYGGYAZCSLJY-UHFFFAOYSA-N 0 0 335.747 3.350 10 5 EGBERN CC(=O)N(C)c1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000564718027 316194154 /nfs/dbraw/zinc/19/41/54/316194154.db2.gz HMQQEQDYJRHQCS-GFCCVEGCSA-N 0 0 341.367 3.320 10 5 EGBERN CC(C)[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564720415 316194166 /nfs/dbraw/zinc/19/41/66/316194166.db2.gz OCWRCUPPLOLTPY-AWEZNQCLSA-N 0 0 344.415 3.306 10 5 EGBERN CC[NH+](CC)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000565038571 316254222 /nfs/dbraw/zinc/25/42/22/316254222.db2.gz RGCCMMWXIJBWAG-CQSZACIVSA-N 0 0 337.420 3.461 10 5 EGBERN CC[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000565414724 316321436 /nfs/dbraw/zinc/32/14/36/316321436.db2.gz RUJGVZFISRMPCA-LLVKDONJSA-N 0 0 326.343 3.454 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000565981226 316396821 /nfs/dbraw/zinc/39/68/21/316396821.db2.gz XSUVBRHRSUWSJV-HOCLYGCPSA-N 0 0 349.431 3.418 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC(Oc2ccncc2C)CC1 ZINC000566481963 316484874 /nfs/dbraw/zinc/48/48/74/316484874.db2.gz JLRMIXJDKDZYTL-UHFFFAOYSA-N 0 0 343.383 3.355 10 5 EGBERN Cc1ccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000567034943 316559047 /nfs/dbraw/zinc/55/90/47/316559047.db2.gz NWMYYHBMURRKTI-HNNXBMFYSA-N 0 0 339.351 3.099 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(=O)[O-])CCC(F)(F)CC1 ZINC000570060359 317003112 /nfs/dbraw/zinc/00/31/12/317003112.db2.gz IVHLMZPJHXWYSD-UHFFFAOYSA-N 0 0 328.315 3.026 10 5 EGBERN C[C@H]1CC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570123677 317010828 /nfs/dbraw/zinc/01/08/28/317010828.db2.gz VREPMVQRAOBWEN-STQMWFEESA-N 0 0 344.415 3.354 10 5 EGBERN C[C@@H]1CC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570123673 317011048 /nfs/dbraw/zinc/01/10/48/317011048.db2.gz VREPMVQRAOBWEN-OLZOCXBDSA-N 0 0 344.415 3.354 10 5 EGBERN C[C@H](C(=O)N1CCC[C@@]2(CCCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571465590 317202979 /nfs/dbraw/zinc/20/29/79/317202979.db2.gz KAUWDVZOCITUGD-KBXCAEBGSA-N 0 0 332.400 3.118 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000571581311 317219733 /nfs/dbraw/zinc/21/97/33/317219733.db2.gz LKQYWEFNJNWJQL-KRWDZBQOSA-N 0 0 336.388 3.162 10 5 EGBERN O=C1[C@H](Nc2c(F)cccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000571709068 317235581 /nfs/dbraw/zinc/23/55/81/317235581.db2.gz UEUMIBNSDRZBID-CQSZACIVSA-N 0 0 347.321 3.086 10 5 EGBERN CC(C)Oc1nc(N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000571938571 317268691 /nfs/dbraw/zinc/26/86/91/317268691.db2.gz HLQPDZJQBYAFIG-ZDUSSCGKSA-N 0 0 349.412 3.416 10 5 EGBERN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1cccc(Cl)c1 ZINC000572362371 317328339 /nfs/dbraw/zinc/32/83/39/317328339.db2.gz HZOOVONLIZFNFI-UHFFFAOYSA-N 0 0 346.770 3.172 10 5 EGBERN C[C@H](O)[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984961 317421392 /nfs/dbraw/zinc/42/13/92/317421392.db2.gz UCVHAPYQYXACBU-SDDDUWNISA-N 0 0 330.359 3.433 10 5 EGBERN Cc1cc(NC2CC[NH+](C3CCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573374896 317475715 /nfs/dbraw/zinc/47/57/15/317475715.db2.gz CCIFKHXLYOZSIS-UHFFFAOYSA-N 0 0 333.388 3.030 10 5 EGBERN O=[N+]([O-])c1cccc2ncnc(N3CCC(C4CCOCC4)CC3)c21 ZINC000573604622 317507951 /nfs/dbraw/zinc/50/79/51/317507951.db2.gz LONCPMFJWTTZNI-UHFFFAOYSA-N 0 0 342.399 3.181 10 5 EGBERN COC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171315979 323229651 /nfs/dbraw/zinc/22/96/51/323229651.db2.gz BZRFCWQMNJMYDB-CQSZACIVSA-N 0 0 346.408 3.434 10 5 EGBERN Cc1cccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000175921099 323324602 /nfs/dbraw/zinc/32/46/02/323324602.db2.gz KRRZTAANRVSKOU-CYBMUJFWSA-N 0 0 328.372 3.167 10 5 EGBERN COC[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000183674733 323627754 /nfs/dbraw/zinc/62/77/54/323627754.db2.gz NKYYDZJYRMTKAC-PXAZEXFGSA-N 0 0 346.358 3.341 10 5 EGBERN CC(C)(C)C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184499870 323661236 /nfs/dbraw/zinc/66/12/36/323661236.db2.gz NSECAIVMIKOACF-UHFFFAOYSA-N 0 0 340.445 3.183 10 5 EGBERN Cc1sc(C(=O)NCCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000190285562 323793473 /nfs/dbraw/zinc/79/34/73/323793473.db2.gz MWBHCTFIGUWJMM-UHFFFAOYSA-N 0 0 326.324 3.215 10 5 EGBERN CCOc1ccc(-c2nc(-c3ccncc3OC)no2)cc1[N+](=O)[O-] ZINC000350932565 324141543 /nfs/dbraw/zinc/14/15/43/324141543.db2.gz PNSHSJAGHKOPLU-UHFFFAOYSA-N 0 0 342.311 3.114 10 5 EGBERN CC[C@@H]1C[C@H]1c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000351111260 324172388 /nfs/dbraw/zinc/17/23/88/324172388.db2.gz HQWFURKDDIVZJP-BXKDBHETSA-N 0 0 333.344 3.099 10 5 EGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCc2c1cccc2Br ZINC000340696243 456632354 /nfs/dbraw/zinc/63/23/54/456632354.db2.gz NAVNJUUVFQWGIP-LBPRGKRZSA-N 0 0 334.173 3.274 10 5 EGBERN O=[N+]([O-])c1ccccc1OC[C@H](O)CNc1ccc2c(c1)CCCC2 ZINC000581247286 325345673 /nfs/dbraw/zinc/34/56/73/325345673.db2.gz UPHWCZOOHYJOMV-QGZVFWFLSA-N 0 0 342.395 3.325 10 5 EGBERN O=c1[nH]cnc2cc(NCc3ccc4ccccc4n3)c([N+](=O)[O-])cc21 ZINC000581342405 325353036 /nfs/dbraw/zinc/35/30/36/325353036.db2.gz NYOTZUNTPFSEBY-UHFFFAOYSA-N 0 0 347.334 3.404 10 5 EGBERN Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610337 325376305 /nfs/dbraw/zinc/37/63/05/325376305.db2.gz JVDADPYSRSXFFX-YPMHNXCESA-N 0 0 335.404 3.134 10 5 EGBERN COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000582548149 325450571 /nfs/dbraw/zinc/45/05/71/325450571.db2.gz SHIWFHQFGFNGHL-LSDHHAIUSA-N 0 0 332.400 3.436 10 5 EGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000582562450 325451406 /nfs/dbraw/zinc/45/14/06/325451406.db2.gz ZJJOFNAZMGRUHV-ZDUSSCGKSA-N 0 0 335.404 3.347 10 5 EGBERN CC1(C)Cc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000600670226 460561371 /nfs/dbraw/zinc/56/13/71/460561371.db2.gz OPYWBWPSSLWEOK-UHFFFAOYSA-N 0 0 338.410 3.186 10 5 EGBERN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000215075 452539824 /nfs/dbraw/zinc/53/98/24/452539824.db2.gz LPDHTUCWLRCKKF-UHFFFAOYSA-N 0 0 340.742 3.311 10 5 EGBERN COc1ccc(F)cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000007605113 453091582 /nfs/dbraw/zinc/09/15/82/453091582.db2.gz BLRQMQZLORHAHB-UHFFFAOYSA-N 0 0 335.287 3.108 10 5 EGBERN Cc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000011559058 453324447 /nfs/dbraw/zinc/32/44/47/453324447.db2.gz OFEFJSHIKCOIRC-UHFFFAOYSA-N 0 0 336.351 3.019 10 5 EGBERN C[C@]12CCCC[C@H]1CN2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600761330 460593446 /nfs/dbraw/zinc/59/34/46/460593446.db2.gz PAPWHEXSKFUQQE-UGSOOPFHSA-N 0 0 340.383 3.185 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012789004 453406832 /nfs/dbraw/zinc/40/68/32/453406832.db2.gz LCHGHXMCTJOFBL-OAHLLOKOSA-N 0 0 332.743 3.499 10 5 EGBERN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000021588842 453677803 /nfs/dbraw/zinc/67/78/03/453677803.db2.gz QIAXKFBTKGVRBH-LBPRGKRZSA-N 0 0 332.331 3.299 10 5 EGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000022419187 453692295 /nfs/dbraw/zinc/69/22/95/453692295.db2.gz MLYQWHXEUXGZGW-LLVKDONJSA-N 0 0 346.412 3.175 10 5 EGBERN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)cs1 ZINC000052736696 453843229 /nfs/dbraw/zinc/84/32/29/453843229.db2.gz PKZQEHFWRRVODV-UHFFFAOYSA-N 0 0 342.380 3.285 10 5 EGBERN CC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000075109069 453861781 /nfs/dbraw/zinc/86/17/81/453861781.db2.gz KPMYPOFJAHFIDB-LBPRGKRZSA-N 0 0 334.401 3.044 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000066689135 453862283 /nfs/dbraw/zinc/86/22/83/453862283.db2.gz IBQXUGXIZQSUTI-KRWDZBQOSA-N 0 0 344.342 3.256 10 5 EGBERN CCOc1ccccc1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053216143 453865655 /nfs/dbraw/zinc/86/56/55/453865655.db2.gz KBRUFDUPEQBHCB-UHFFFAOYSA-N 0 0 342.395 3.285 10 5 EGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066713056 453865923 /nfs/dbraw/zinc/86/59/23/453865923.db2.gz RGGJOOWKOMAROO-KBXCAEBGSA-N 0 0 340.379 3.126 10 5 EGBERN Cc1sc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1[N+](=O)[O-] ZINC000032423360 453871814 /nfs/dbraw/zinc/87/18/14/453871814.db2.gz ZSMZPZYOXKZRRU-UHFFFAOYSA-N 0 0 349.393 3.261 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCNc1ncc(Cl)cc1Cl ZINC000066808997 453875636 /nfs/dbraw/zinc/87/56/36/453875636.db2.gz KGHAOJYDQPYYLO-UHFFFAOYSA-N 0 0 328.159 3.216 10 5 EGBERN O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)c2ccncc21 ZINC000053601999 453890047 /nfs/dbraw/zinc/89/00/47/453890047.db2.gz GTFGWKOJUOWQTO-UHFFFAOYSA-N 0 0 327.315 3.387 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1cccc2c1CCC2=O ZINC000032789180 453890897 /nfs/dbraw/zinc/89/08/97/453890897.db2.gz HIPAZCXBAYPRJR-UHFFFAOYSA-N 0 0 340.335 3.050 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000067033493 453895414 /nfs/dbraw/zinc/89/54/14/453895414.db2.gz AISPEBPUYZAZJV-NSHDSACASA-N 0 0 328.324 3.123 10 5 EGBERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000075512360 453899664 /nfs/dbraw/zinc/89/96/64/453899664.db2.gz UAHKANBIYNJJCY-BZNIZROVSA-N 0 0 339.351 3.442 10 5 EGBERN O=C(CNc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1 ZINC000033885406 453918044 /nfs/dbraw/zinc/91/80/44/453918044.db2.gz NSDXOTRZOSYAAS-UHFFFAOYSA-N 0 0 328.353 3.202 10 5 EGBERN C[C@@H](Sc1nnnn1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000036800297 453931483 /nfs/dbraw/zinc/93/14/83/453931483.db2.gz BHQQGPGUBPOUAI-SNVBAGLBSA-N 0 0 331.357 3.076 10 5 EGBERN CNc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000055369753 453978799 /nfs/dbraw/zinc/97/87/99/453978799.db2.gz URPUKZNTFPRMLR-UHFFFAOYSA-N 0 0 331.347 3.090 10 5 EGBERN Cc1csc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000067938548 453982514 /nfs/dbraw/zinc/98/25/14/453982514.db2.gz WZTXZENGVJQRHZ-VIFPVBQESA-N 0 0 330.369 3.332 10 5 EGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068185156 454005684 /nfs/dbraw/zinc/00/56/84/454005684.db2.gz FKDOYQYWVSBZSU-IAGOWNOFSA-N 0 0 344.342 3.033 10 5 EGBERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000085333000 454023287 /nfs/dbraw/zinc/02/32/87/454023287.db2.gz MKROXRRYNPHWLU-LLVKDONJSA-N 0 0 339.417 3.481 10 5 EGBERN Cc1cccc(CC2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)c1 ZINC000085457998 454029640 /nfs/dbraw/zinc/02/96/40/454029640.db2.gz WGYXZVFGHXDYRM-UHFFFAOYSA-N 0 0 339.395 3.016 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCCC[C@@H]1O ZINC000086015597 454041361 /nfs/dbraw/zinc/04/13/61/454041361.db2.gz UINVBDFERIKPEL-RNCFNFMXSA-N 0 0 329.194 3.320 10 5 EGBERN CN(CCc1ccc(F)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087172082 454068410 /nfs/dbraw/zinc/06/84/10/454068410.db2.gz PZBFXDNNBBTVLW-UHFFFAOYSA-N 0 0 330.359 3.368 10 5 EGBERN O=C(c1cccc2ncccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251971 454096360 /nfs/dbraw/zinc/09/63/60/454096360.db2.gz KEVVFGPKKATZSQ-UHFFFAOYSA-N 0 0 333.347 3.342 10 5 EGBERN O=c1ccccn1Cc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057140991 454105485 /nfs/dbraw/zinc/10/54/85/454105485.db2.gz NUTOGEIBDUEDFL-UHFFFAOYSA-N 0 0 335.363 3.417 10 5 EGBERN O=[N+]([O-])c1cc(I)ccc1N1CCCCC1 ZINC000058194177 454169968 /nfs/dbraw/zinc/16/99/68/454169968.db2.gz GATWWBRIMATKLG-UHFFFAOYSA-N 0 0 332.141 3.190 10 5 EGBERN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccncc1[N+](=O)[O-] ZINC000058200911 454170578 /nfs/dbraw/zinc/17/05/78/454170578.db2.gz KVYAUJTWNNNABT-LLVKDONJSA-N 0 0 347.396 3.426 10 5 EGBERN Cc1cccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000130362095 454193037 /nfs/dbraw/zinc/19/30/37/454193037.db2.gz MZJHRIOIEBAGHH-GFCCVEGCSA-N 0 0 331.397 3.095 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000130841414 454221037 /nfs/dbraw/zinc/22/10/37/454221037.db2.gz FOXBJUHXTPGMAT-LBPRGKRZSA-N 0 0 331.347 3.332 10 5 EGBERN COc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000078326249 454232547 /nfs/dbraw/zinc/23/25/47/454232547.db2.gz SKZBCHRHJYEVOH-SNVBAGLBSA-N 0 0 330.344 3.023 10 5 EGBERN CCOC(CNc1cc(C)c([N+](=O)[O-])cn1)(OCC)c1ccccn1 ZINC000095941781 454234187 /nfs/dbraw/zinc/23/41/87/454234187.db2.gz QHWQSNLSAXQAPM-UHFFFAOYSA-N 0 0 346.387 3.031 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000078579183 454280038 /nfs/dbraw/zinc/28/00/38/454280038.db2.gz IITIPFAKVRYSBK-SNVBAGLBSA-N 0 0 349.337 3.448 10 5 EGBERN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccs1 ZINC000046896445 454298261 /nfs/dbraw/zinc/29/82/61/454298261.db2.gz BJUJYOZKSTVHDQ-LLVKDONJSA-N 0 0 342.380 3.333 10 5 EGBERN Cc1nc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000120421275 454300774 /nfs/dbraw/zinc/30/07/74/454300774.db2.gz JKGUUIBIJCSFOY-ZDUSSCGKSA-N 0 0 348.790 3.394 10 5 EGBERN CC[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466143 454309668 /nfs/dbraw/zinc/30/96/68/454309668.db2.gz HQVZLJYYPZDEBG-INIZCTEOSA-N 0 0 342.351 3.263 10 5 EGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000060921880 454319054 /nfs/dbraw/zinc/31/90/54/454319054.db2.gz FFJDSYAHNVWFFY-CYBMUJFWSA-N 0 0 340.445 3.493 10 5 EGBERN CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000090585997 454324154 /nfs/dbraw/zinc/32/41/54/454324154.db2.gz GJPGSMQCFMTGTH-ZBEGNZNMSA-N 0 0 345.403 3.148 10 5 EGBERN Cc1nccn1-c1ncccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000047174450 454335692 /nfs/dbraw/zinc/33/56/92/454335692.db2.gz CZHBNMQHKQRJCB-BQYQJAHWSA-N 0 0 349.350 3.136 10 5 EGBERN CC[C@H](NC(=O)NC[C@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090684812 454335758 /nfs/dbraw/zinc/33/57/58/454335758.db2.gz MCRBJSFEHSEJTM-GJZGRUSLSA-N 0 0 337.420 3.406 10 5 EGBERN CCOC(=O)c1c(C)csc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000078940736 454340957 /nfs/dbraw/zinc/34/09/57/454340957.db2.gz BXJOYZOCVVKZDQ-UHFFFAOYSA-N 0 0 340.382 3.455 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCSCC1 ZINC000120865072 454358252 /nfs/dbraw/zinc/35/82/52/454358252.db2.gz XKJYPMUZXUCKDN-UHFFFAOYSA-N 0 0 337.445 3.066 10 5 EGBERN Cc1c(OCC(=O)N[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000047355592 454362573 /nfs/dbraw/zinc/36/25/73/454362573.db2.gz NDSHIWZGLZASDY-GFCCVEGCSA-N 0 0 332.331 3.299 10 5 EGBERN CCOc1cccc(N2CCO[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000097108536 454409560 /nfs/dbraw/zinc/40/95/60/454409560.db2.gz OMSRLPFPLSAZFF-ZDUSSCGKSA-N 0 0 335.385 3.028 10 5 EGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434154 454434795 /nfs/dbraw/zinc/43/47/95/454434795.db2.gz DFTSDGQYFSPPJT-WDEREUQCSA-N 0 0 346.305 3.211 10 5 EGBERN COC(=O)c1cc(N(C)[C@@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000091463575 454438818 /nfs/dbraw/zinc/43/88/18/454438818.db2.gz CYZDUFFLMXCYPP-LBPRGKRZSA-N 0 0 329.356 3.282 10 5 EGBERN Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000091627896 454452155 /nfs/dbraw/zinc/45/21/55/454452155.db2.gz ZCEQZEXMCQXELE-ZDUSSCGKSA-N 0 0 327.388 3.214 10 5 EGBERN CN(CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1ccccc1[N+](=O)[O-] ZINC000079788957 454478737 /nfs/dbraw/zinc/47/87/37/454478737.db2.gz COJCGGZHRLLKRD-PJPHBNEVSA-N 0 0 343.427 3.068 10 5 EGBERN CCOc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000079988067 454510628 /nfs/dbraw/zinc/51/06/28/454510628.db2.gz VRJBMCQBDZOXDV-SFHVURJKSA-N 0 0 348.399 3.026 10 5 EGBERN COC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000103362606 454551215 /nfs/dbraw/zinc/55/12/15/454551215.db2.gz UQBJPPVGBJVEKX-GFCCVEGCSA-N 0 0 342.351 3.047 10 5 EGBERN O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134540974 454556922 /nfs/dbraw/zinc/55/69/22/454556922.db2.gz BJHKMZYVUPFVRX-UHFFFAOYSA-N 0 0 346.774 3.496 10 5 EGBERN CCc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1F ZINC000122725383 454563318 /nfs/dbraw/zinc/56/33/18/454563318.db2.gz DBPFPAXCZDANSD-UHFFFAOYSA-N 0 0 334.351 3.138 10 5 EGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000092583749 454590151 /nfs/dbraw/zinc/59/01/51/454590151.db2.gz ZBXNRWDVUFTCSD-QMMMGPOBSA-N 0 0 347.302 3.206 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000123022173 454593668 /nfs/dbraw/zinc/59/36/68/454593668.db2.gz MLBZRSCAZHMXHK-UHFFFAOYSA-N 0 0 341.342 3.416 10 5 EGBERN CCNC(=O)c1cccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c1 ZINC000080574015 454601419 /nfs/dbraw/zinc/60/14/19/454601419.db2.gz VWBFZUUNBYYPJB-UHFFFAOYSA-N 0 0 347.346 3.104 10 5 EGBERN COC(=O)c1cc(NCc2ncc(C(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000092663766 454605005 /nfs/dbraw/zinc/60/50/05/454605005.db2.gz QSJDTKLVDROYNW-UHFFFAOYSA-N 0 0 333.344 3.279 10 5 EGBERN O=[N+]([O-])c1cnc(N[C@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000092961233 454659728 /nfs/dbraw/zinc/65/97/28/454659728.db2.gz PAOFTVHILTVIEE-GFCCVEGCSA-N 0 0 328.155 3.442 10 5 EGBERN Cc1nc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000105866447 454660972 /nfs/dbraw/zinc/66/09/72/454660972.db2.gz QMBBMFAVPPKXSA-UHFFFAOYSA-N 0 0 346.456 3.068 10 5 EGBERN Cc1ccc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000093104434 454683518 /nfs/dbraw/zinc/68/35/18/454683518.db2.gz FLUIBCZRNOOBSR-QGZVFWFLSA-N 0 0 339.395 3.141 10 5 EGBERN COc1cc(F)ccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124149958 454701554 /nfs/dbraw/zinc/70/15/54/454701554.db2.gz YNOPYWNATACITQ-UHFFFAOYSA-N 0 0 345.330 3.333 10 5 EGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000152787767 454725607 /nfs/dbraw/zinc/72/56/07/454725607.db2.gz DAVWSHTWUATMGM-IINYFYTJSA-N 0 0 330.315 3.028 10 5 EGBERN Cn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000124442999 454733104 /nfs/dbraw/zinc/73/31/04/454733104.db2.gz DQNMPADPVPJCDO-UHFFFAOYSA-N 0 0 348.790 3.002 10 5 EGBERN Cc1cc(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000152909010 454740565 /nfs/dbraw/zinc/74/05/65/454740565.db2.gz KGCHJIQZORTPJS-UHFFFAOYSA-N 0 0 344.367 3.069 10 5 EGBERN CC[C@@H](NC(=O)NCCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000162033056 454747000 /nfs/dbraw/zinc/74/70/00/454747000.db2.gz ZGNQBMSCCQZUEI-QGZVFWFLSA-N 0 0 342.399 3.291 10 5 EGBERN CC(C)(C)c1csc(CSCCn2cc([N+](=O)[O-])cn2)n1 ZINC000162366058 454770635 /nfs/dbraw/zinc/77/06/35/454770635.db2.gz PNSKUNKONDQUJZ-UHFFFAOYSA-N 0 0 326.447 3.479 10 5 EGBERN C[C@H](CC1CC1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176692389 454772551 /nfs/dbraw/zinc/77/25/51/454772551.db2.gz YZCLSFLPCDSTLA-CYBMUJFWSA-N 0 0 347.415 3.336 10 5 EGBERN Nc1ccc(C(=O)N2CC=C(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000137352705 454777870 /nfs/dbraw/zinc/77/78/70/454777870.db2.gz HJZJYTPFSXKHKP-UHFFFAOYSA-N 0 0 341.342 3.246 10 5 EGBERN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293214 454779085 /nfs/dbraw/zinc/77/90/85/454779085.db2.gz FNZLKCRVUIAJMC-QLFBSQMISA-N 0 0 345.443 3.131 10 5 EGBERN CC(C)N(C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000153384027 454787809 /nfs/dbraw/zinc/78/78/09/454787809.db2.gz SXSAFMOFOPYDEO-UHFFFAOYSA-N 0 0 345.443 3.133 10 5 EGBERN CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176849181 454790367 /nfs/dbraw/zinc/79/03/67/454790367.db2.gz QKQVRTCWCQUCCF-UHFFFAOYSA-N 0 0 345.424 3.131 10 5 EGBERN COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000125260190 454808013 /nfs/dbraw/zinc/80/80/13/454808013.db2.gz OWIXARZJXXXXEH-INIZCTEOSA-N 0 0 334.397 3.238 10 5 EGBERN CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000153654619 454817507 /nfs/dbraw/zinc/81/75/07/454817507.db2.gz KXDHVGMPAXOJAA-MRXNPFEDSA-N 0 0 344.415 3.145 10 5 EGBERN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153792968 454834179 /nfs/dbraw/zinc/83/41/79/454834179.db2.gz ZFIKQDKUMBQMCC-GFCCVEGCSA-N 0 0 339.461 3.029 10 5 EGBERN Cc1cccc2[nH]c(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)nc21 ZINC000153805286 454835468 /nfs/dbraw/zinc/83/54/68/454835468.db2.gz FYZORTRGESOGGG-UHFFFAOYSA-N 0 0 339.355 3.410 10 5 EGBERN Cc1cc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000153828707 454837242 /nfs/dbraw/zinc/83/72/42/454837242.db2.gz UITAFLWLNXELIB-BBRMVZONSA-N 0 0 335.404 3.356 10 5 EGBERN CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000148226170 454869369 /nfs/dbraw/zinc/86/93/69/454869369.db2.gz BEEPTHITZGERLT-UHFFFAOYSA-N 0 0 341.249 3.106 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn2c1CCCC2 ZINC000126130906 454872903 /nfs/dbraw/zinc/87/29/03/454872903.db2.gz YDHASKFLTSCEPU-UHFFFAOYSA-N 0 0 348.790 3.053 10 5 EGBERN CC[C@@H](NC(=O)CCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000177786082 454905323 /nfs/dbraw/zinc/90/53/23/454905323.db2.gz KEHSFHVDSHCDJM-CQSZACIVSA-N 0 0 346.387 3.301 10 5 EGBERN Cc1ccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000154687115 454919858 /nfs/dbraw/zinc/91/98/58/454919858.db2.gz GLSJDLOQTCROLR-BBRMVZONSA-N 0 0 335.404 3.356 10 5 EGBERN COc1ccc(CSCC(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000127935011 455011023 /nfs/dbraw/zinc/01/10/23/455011023.db2.gz GKYVHKYQJLLQMD-UHFFFAOYSA-N 0 0 338.429 3.143 10 5 EGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171006954 455014408 /nfs/dbraw/zinc/01/44/08/455014408.db2.gz ALUCFFQIMGMRKJ-RISCZKNCSA-N 0 0 332.381 3.259 10 5 EGBERN Cc1ccc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000151716275 455020646 /nfs/dbraw/zinc/02/06/46/455020646.db2.gz QJNAEQDWAHJUHY-MRXNPFEDSA-N 0 0 330.340 3.018 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000151794422 455031699 /nfs/dbraw/zinc/03/16/99/455031699.db2.gz VVPFVDXPJIHXQS-UHFFFAOYSA-N 0 0 339.395 3.492 10 5 EGBERN CCOc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000128864820 455087912 /nfs/dbraw/zinc/08/79/12/455087912.db2.gz AAPKIJQDNROQLG-UHFFFAOYSA-N 0 0 336.294 3.202 10 5 EGBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000152241493 455091541 /nfs/dbraw/zinc/09/15/41/455091541.db2.gz DBXXDXGYGMKKJJ-YVEFUNNKSA-N 0 0 344.342 3.336 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000171841912 455097684 /nfs/dbraw/zinc/09/76/84/455097684.db2.gz RLECDYCOCADRAY-NVXWUHKLSA-N 0 0 325.368 3.198 10 5 EGBERN COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000172069144 455117045 /nfs/dbraw/zinc/11/70/45/455117045.db2.gz IYGHRTRKXAUVQZ-MRXNPFEDSA-N 0 0 348.786 3.295 10 5 EGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000152576794 455138205 /nfs/dbraw/zinc/13/82/05/455138205.db2.gz MRTADDOTVHJCCA-HIFRSBDPSA-N 0 0 332.306 3.293 10 5 EGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000180150527 455139977 /nfs/dbraw/zinc/13/99/77/455139977.db2.gz ZVEWRBIKSCCEGY-FZMZJTMJSA-N 0 0 338.429 3.393 10 5 EGBERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172441775 455154358 /nfs/dbraw/zinc/15/43/58/455154358.db2.gz OWXRMYAEKVFKAT-GJZGRUSLSA-N 0 0 347.418 3.162 10 5 EGBERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172441769 455154408 /nfs/dbraw/zinc/15/44/08/455154408.db2.gz OWXRMYAEKVFKAT-LSDHHAIUSA-N 0 0 347.418 3.162 10 5 EGBERN CO[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000189342380 455180977 /nfs/dbraw/zinc/18/09/77/455180977.db2.gz AVDYPZLVFIXKGJ-LRDDRELGSA-N 0 0 331.372 3.107 10 5 EGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc2ccccc2c1 ZINC000180494836 455181779 /nfs/dbraw/zinc/18/17/79/455181779.db2.gz RYIAVGWNZHKFKB-LLVKDONJSA-N 0 0 336.351 3.216 10 5 EGBERN O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(CCO)cc1 ZINC000157314296 455183389 /nfs/dbraw/zinc/18/33/89/455183389.db2.gz KCJNRNWGRRUANX-UHFFFAOYSA-N 0 0 339.145 3.079 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@@H]2Cc3ccccc3[C@H]2O)cc1OC(F)F ZINC000181067420 455283232 /nfs/dbraw/zinc/28/32/32/455283232.db2.gz QUBXSNYNYQLVHB-IUODEOHRSA-N 0 0 336.294 3.266 10 5 EGBERN COc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1CO ZINC000190196002 455288105 /nfs/dbraw/zinc/28/81/05/455288105.db2.gz TUJMEAHLBYBLJR-UHFFFAOYSA-N 0 0 344.367 3.471 10 5 EGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000181244682 455306354 /nfs/dbraw/zinc/30/63/54/455306354.db2.gz ALVVMSBSGZXQPJ-UHFFFAOYSA-N 0 0 348.362 3.169 10 5 EGBERN COc1cccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000265370525 455313962 /nfs/dbraw/zinc/31/39/62/455313962.db2.gz VUYDPQGTVOYISB-CYBMUJFWSA-N 0 0 328.372 3.079 10 5 EGBERN O=[N+]([O-])c1cnc(Sc2nnc3n2CCCCC3)c(Cl)c1 ZINC000265591945 455346450 /nfs/dbraw/zinc/34/64/50/455346450.db2.gz YFCQFBSTHLFMKN-UHFFFAOYSA-N 0 0 325.781 3.112 10 5 EGBERN COc1cccc(F)c1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000174500087 455397400 /nfs/dbraw/zinc/39/74/00/455397400.db2.gz IGEJOSPRHMSLSD-NSHDSACASA-N 0 0 332.331 3.162 10 5 EGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](C)C2 ZINC000182203948 455460791 /nfs/dbraw/zinc/46/07/91/455460791.db2.gz WRZBRAWIRPVBKP-GTNSWQLSSA-N 0 0 325.368 3.270 10 5 EGBERN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218645 455463604 /nfs/dbraw/zinc/46/36/04/455463604.db2.gz CXHJTFANECPVEC-LBPRGKRZSA-N 0 0 340.807 3.412 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160575645 455476455 /nfs/dbraw/zinc/47/64/55/455476455.db2.gz BDVVTUPKXAYHOB-QAPCUYQASA-N 0 0 328.368 3.419 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1snnc1C(C)(C)C ZINC000191356177 455478545 /nfs/dbraw/zinc/47/85/45/455478545.db2.gz DYRXTQXMBDEBOF-UHFFFAOYSA-N 0 0 336.373 3.005 10 5 EGBERN CCN(CCc1nccs1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000160679405 455486921 /nfs/dbraw/zinc/48/69/21/455486921.db2.gz XGDBHDVSROKRDN-UHFFFAOYSA-N 0 0 334.401 3.456 10 5 EGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000191504692 455491946 /nfs/dbraw/zinc/49/19/46/455491946.db2.gz JZKIXJFIPUSIIW-GFCCVEGCSA-N 0 0 346.387 3.043 10 5 EGBERN CCc1ccc([C@@H]2CCCCN2C(=O)c2nn(CC)cc2[N+](=O)[O-])o1 ZINC000191633814 455505366 /nfs/dbraw/zinc/50/53/66/455505366.db2.gz BBUJXKQVMPXCAF-ZDUSSCGKSA-N 0 0 346.387 3.334 10 5 EGBERN CCc1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160859596 455506598 /nfs/dbraw/zinc/50/65/98/455506598.db2.gz SBFROAFNVQFMRU-HWPZZCPQSA-N 0 0 329.356 3.211 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(ccc(F)c3C)s2)n1 ZINC000191667105 455508429 /nfs/dbraw/zinc/50/84/29/455508429.db2.gz LKBSFOREYVBRBS-UHFFFAOYSA-N 0 0 349.347 3.121 10 5 EGBERN CCc1cnc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000175877879 455509827 /nfs/dbraw/zinc/50/98/27/455509827.db2.gz UPJFKXWLHCMJJL-UHFFFAOYSA-N 0 0 325.415 3.256 10 5 EGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C)c(C)c3c2)n1 ZINC000191715459 455512802 /nfs/dbraw/zinc/51/28/02/455512802.db2.gz VOXKCOIERCPIMF-UHFFFAOYSA-N 0 0 328.328 3.427 10 5 EGBERN COC(=O)CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000191809052 455521899 /nfs/dbraw/zinc/52/18/99/455521899.db2.gz UBQJZQOVBDPZQK-UHFFFAOYSA-N 0 0 334.372 3.355 10 5 EGBERN CN(CCc1ccccn1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601018733 460677990 /nfs/dbraw/zinc/67/79/90/460677990.db2.gz PGBBSIWDJIAFNE-UHFFFAOYSA-N 0 0 339.395 3.113 10 5 EGBERN CC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000192228782 455577940 /nfs/dbraw/zinc/57/79/40/455577940.db2.gz GFLIGHWHWRGICR-MFKMUULPSA-N 0 0 347.337 3.045 10 5 EGBERN COc1cccc(N2CC[C@H](CNc3cc(N)ccc3[N+](=O)[O-])C2)c1 ZINC000192788339 455693975 /nfs/dbraw/zinc/69/39/75/455693975.db2.gz HCBZKQINTGTUJE-CYBMUJFWSA-N 0 0 342.399 3.124 10 5 EGBERN CC(=O)c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000186155649 455705096 /nfs/dbraw/zinc/70/50/96/455705096.db2.gz ZKTJCOXTRXFEHL-GJZGRUSLSA-N 0 0 346.408 3.071 10 5 EGBERN CSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000186167124 455709544 /nfs/dbraw/zinc/70/95/44/455709544.db2.gz LZPOGZPUDJXQBU-QWHCGFSZSA-N 0 0 336.413 3.100 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 ZINC000278063418 455748419 /nfs/dbraw/zinc/74/84/19/455748419.db2.gz NIZOSAXXTZBZCA-STQMWFEESA-N 0 0 336.391 3.391 10 5 EGBERN Cc1nc([C@H]2CCCN2C(=O)NCc2cccc([N+](=O)[O-])c2)cs1 ZINC000186467746 455774291 /nfs/dbraw/zinc/77/42/91/455774291.db2.gz NENFMYBUMPBXIL-OAHLLOKOSA-N 0 0 346.412 3.406 10 5 EGBERN CC(C)c1n[nH]c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000269305624 455831721 /nfs/dbraw/zinc/83/17/21/455831721.db2.gz DMZZCHSVQPHGEN-MRVPVSSYSA-N 0 0 338.314 3.211 10 5 EGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C(=O)OC)c1ccccc1 ZINC000269326502 455835707 /nfs/dbraw/zinc/83/57/07/455835707.db2.gz GZEXEWOTJDSDOP-MRXNPFEDSA-N 0 0 344.367 3.110 10 5 EGBERN CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194748616 455879413 /nfs/dbraw/zinc/87/94/13/455879413.db2.gz YSXSVDASJXAIMG-QGZVFWFLSA-N 0 0 328.368 3.297 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000194846193 455890658 /nfs/dbraw/zinc/89/06/58/455890658.db2.gz CZPALXDKEYGZDT-ZDUSSCGKSA-N 0 0 332.381 3.178 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1 ZINC000285667652 455893178 /nfs/dbraw/zinc/89/31/78/455893178.db2.gz YDOPBRMTAHFUHD-SUMDDJOVSA-N 0 0 346.427 3.449 10 5 EGBERN Cc1sc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000187504165 455918907 /nfs/dbraw/zinc/91/89/07/455918907.db2.gz XHFRUIDOORVSNX-DGCLKSJQSA-N 0 0 326.418 3.288 10 5 EGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1=O ZINC000601081049 460702495 /nfs/dbraw/zinc/70/24/95/460702495.db2.gz SMWAEIPPFDMAFT-PHIMTYICSA-N 0 0 346.305 3.003 10 5 EGBERN CCc1nocc1CN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000296554225 455972165 /nfs/dbraw/zinc/97/21/65/455972165.db2.gz FTEQDVAKGHUKEG-NSHDSACASA-N 0 0 332.360 3.048 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)Cc1cc(C)on1 ZINC000296628383 455993824 /nfs/dbraw/zinc/99/38/24/455993824.db2.gz VNSHLEFTMCFLAF-UHFFFAOYSA-N 0 0 328.328 3.084 10 5 EGBERN CCCC(=O)Nc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601104860 460711802 /nfs/dbraw/zinc/71/18/02/460711802.db2.gz JJHHRZOCIHDARU-UHFFFAOYSA-N 0 0 332.335 3.480 10 5 EGBERN Cc1ccc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262718737 456055684 /nfs/dbraw/zinc/05/56/84/456055684.db2.gz UCCOOPFFENASHQ-QGZVFWFLSA-N 0 0 342.395 3.469 10 5 EGBERN C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC000188481822 456070907 /nfs/dbraw/zinc/07/09/07/456070907.db2.gz OIGVTRMMMYBCLN-LLVKDONJSA-N 0 0 347.396 3.190 10 5 EGBERN CNC(=O)c1ccc(NCC2(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000301266879 456075169 /nfs/dbraw/zinc/07/51/69/456075169.db2.gz IAHRQIUBZIOAIV-UHFFFAOYSA-N 0 0 343.358 3.237 10 5 EGBERN Cc1nc2ccccc2n1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601100556 460709549 /nfs/dbraw/zinc/70/95/49/460709549.db2.gz NFJIQPQFZADWFQ-UHFFFAOYSA-N 0 0 329.335 3.289 10 5 EGBERN CC(C)NC(=O)c1ccc(N2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301303137 456086421 /nfs/dbraw/zinc/08/64/21/456086421.db2.gz WKDNFRYFTUGRAP-RYUDHWBXSA-N 0 0 337.445 3.063 10 5 EGBERN CCC[C@@]1(CO)CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000225518542 456088516 /nfs/dbraw/zinc/08/85/16/456088516.db2.gz MWUGYOZNCWJUSY-HNNXBMFYSA-N 0 0 330.331 3.328 10 5 EGBERN Cc1cc(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])cc(C)c1O ZINC000188719838 456121328 /nfs/dbraw/zinc/12/13/28/456121328.db2.gz VQZKHYIOMZPENJ-UHFFFAOYSA-N 0 0 328.368 3.198 10 5 EGBERN O=c1[nH]c(N2CCC3(C2)CCCCC3)nc2ccc([N+](=O)[O-])cc21 ZINC000281077947 456127044 /nfs/dbraw/zinc/12/70/44/456127044.db2.gz BIUZRVCSZPSERG-UHFFFAOYSA-N 0 0 328.372 3.404 10 5 EGBERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188829447 456146904 /nfs/dbraw/zinc/14/69/04/456146904.db2.gz MVFBSGGJEDWRKD-LLVKDONJSA-N 0 0 330.344 3.190 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc(F)ccc1F ZINC000601113532 460716062 /nfs/dbraw/zinc/71/60/62/460716062.db2.gz HYOSGQCIRFUHBV-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN Cc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000301627971 456167963 /nfs/dbraw/zinc/16/79/63/456167963.db2.gz HWTXOZICGBVYKT-CQSZACIVSA-N 0 0 327.340 3.368 10 5 EGBERN CS[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601118010 460717742 /nfs/dbraw/zinc/71/77/42/460717742.db2.gz CXOAOTSSCIXFOV-HTQZYQBOSA-N 0 0 338.355 3.433 10 5 EGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301733649 456200976 /nfs/dbraw/zinc/20/09/76/456200976.db2.gz AKCVGUSPWONTND-AWEZNQCLSA-N 0 0 346.305 3.393 10 5 EGBERN CCc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH]1 ZINC000271302558 456212226 /nfs/dbraw/zinc/21/22/26/456212226.db2.gz GZEDKXUIBWNJMJ-SSDOTTSWSA-N 0 0 327.291 3.050 10 5 EGBERN O=[N+]([O-])c1cc(F)c(Sc2nnnn2Cc2ccccc2)c(F)c1 ZINC000301803516 456219246 /nfs/dbraw/zinc/21/92/46/456219246.db2.gz UTTGGCTZNLQSAQ-UHFFFAOYSA-N 0 0 349.322 3.059 10 5 EGBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301811940 456220554 /nfs/dbraw/zinc/22/05/54/456220554.db2.gz XVRRYMSTVFZVEU-CMPLNLGQSA-N 0 0 344.458 3.084 10 5 EGBERN C[C@H]1C(=O)NCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094134 456224514 /nfs/dbraw/zinc/22/45/14/456224514.db2.gz SIDCFVKRZZXVAG-LBPRGKRZSA-N 0 0 345.424 3.034 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCc2c1cccc2O ZINC000601125186 460719517 /nfs/dbraw/zinc/71/95/17/460719517.db2.gz OCACWPVXLJLSBR-VIFPVBQESA-N 0 0 342.277 3.152 10 5 EGBERN CC(C)Cn1ccnc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000263801930 456228092 /nfs/dbraw/zinc/22/80/92/456228092.db2.gz KVHSQEUASBNRQV-UHFFFAOYSA-N 0 0 327.344 3.181 10 5 EGBERN Cc1cccc2c1CCN2c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301860944 456235250 /nfs/dbraw/zinc/23/52/50/456235250.db2.gz DOOGDSQURKWFQR-UHFFFAOYSA-N 0 0 332.381 3.001 10 5 EGBERN CC(C)CC[C@@](C)(O)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301882325 456240562 /nfs/dbraw/zinc/24/05/62/456240562.db2.gz KOKHKSOIXBADPX-CYBMUJFWSA-N 0 0 346.225 3.351 10 5 EGBERN CCS[C@H]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301878122 456240825 /nfs/dbraw/zinc/24/08/25/456240825.db2.gz JFQJLCJMKBAWLV-QWRGUYRKSA-N 0 0 344.458 3.084 10 5 EGBERN Cc1nc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903506 456246735 /nfs/dbraw/zinc/24/67/35/456246735.db2.gz OYBMHBZWTSVIBX-WMLDXEAASA-N 0 0 348.353 3.434 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCc3ccc4ccccc4c3)nn21 ZINC000301911935 456249219 /nfs/dbraw/zinc/24/92/19/456249219.db2.gz GUAMKSTYIIVMHO-UHFFFAOYSA-N 0 0 333.351 3.445 10 5 EGBERN Cc1cc(Cc2noc(C[C@@H](O)CC(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000290154406 456254357 /nfs/dbraw/zinc/25/43/57/456254357.db2.gz SFFFBEMGJKGJEM-CYBMUJFWSA-N 0 0 333.388 3.217 10 5 EGBERN C[C@@H](c1cc(F)ccc1F)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301941552 456256224 /nfs/dbraw/zinc/25/62/24/456256224.db2.gz UXBKRKKPXJMJEH-VIFPVBQESA-N 0 0 333.298 3.113 10 5 EGBERN C[C@H](c1cc(F)ccc1F)N(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301941551 456256314 /nfs/dbraw/zinc/25/63/14/456256314.db2.gz UXBKRKKPXJMJEH-SECBINFHSA-N 0 0 333.298 3.113 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(NCCCSc3ccc(F)cc3)nn21 ZINC000301948775 456257383 /nfs/dbraw/zinc/25/73/83/456257383.db2.gz YUMGFSHEKJOZNS-UHFFFAOYSA-N 0 0 347.375 3.371 10 5 EGBERN CC1(C)C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)c2ccccc2O1 ZINC000301965558 456261085 /nfs/dbraw/zinc/26/10/85/456261085.db2.gz ODVCSAXVHXCNCH-LBPRGKRZSA-N 0 0 339.355 3.352 10 5 EGBERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301988580 456265381 /nfs/dbraw/zinc/26/53/81/456265381.db2.gz LNPUDOWTPBWQTN-AAEUAGOBSA-N 0 0 341.346 3.159 10 5 EGBERN CNC(=O)c1ccc(N[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000302021915 456269924 /nfs/dbraw/zinc/26/99/24/456269924.db2.gz IMZGQEUAZQQEJC-CYBMUJFWSA-N 0 0 346.412 3.209 10 5 EGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1nnc(-c2ccccc2)s1 ZINC000302052866 456276510 /nfs/dbraw/zinc/27/65/10/456276510.db2.gz PIWIBCJMANYFDD-UHFFFAOYSA-N 0 0 342.380 3.218 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2cccc(F)c2C1 ZINC000601136892 460726456 /nfs/dbraw/zinc/72/64/56/460726456.db2.gz LLVWXLYTIVPNRZ-UHFFFAOYSA-N 0 0 344.268 3.049 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000275781050 456311418 /nfs/dbraw/zinc/31/14/18/456311418.db2.gz JRDAPECBKCAYIZ-GXTWGEPZSA-N 0 0 338.791 3.244 10 5 EGBERN CCOc1cccc(NCCC(=O)Nc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000302204692 456317082 /nfs/dbraw/zinc/31/70/82/456317082.db2.gz CQFCIMZXNDBWJY-UHFFFAOYSA-N 0 0 344.371 3.138 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000337066109 456324861 /nfs/dbraw/zinc/32/48/61/456324861.db2.gz WMLZIMNCBGUDEI-NSHDSACASA-N 0 0 348.371 3.020 10 5 EGBERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cncc(F)c1 ZINC000601139456 460727676 /nfs/dbraw/zinc/72/76/76/460727676.db2.gz HDFHJQRWRAWQBO-LURJTMIESA-N 0 0 333.245 3.054 10 5 EGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC2CCC1CC2 ZINC000340233199 456328381 /nfs/dbraw/zinc/32/83/81/456328381.db2.gz IATSZLDVCQSLPJ-VCMHEYGDSA-N 0 0 327.384 3.314 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000275884804 456341457 /nfs/dbraw/zinc/34/14/57/456341457.db2.gz QMAUJEVEUZYBTR-SCRDCRAPSA-N 0 0 338.791 3.244 10 5 EGBERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000281864147 456343457 /nfs/dbraw/zinc/34/34/57/456343457.db2.gz NAZJEDZCRCBJAN-DWZYQQQCSA-N 0 0 339.823 3.409 10 5 EGBERN Cc1cc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000302533068 456356630 /nfs/dbraw/zinc/35/66/30/456356630.db2.gz FTNAJWPQFCBMET-LLVKDONJSA-N 0 0 346.353 3.373 10 5 EGBERN CCOCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000290561457 456363691 /nfs/dbraw/zinc/36/36/91/456363691.db2.gz AJSZILRVALTTEM-MRVPVSSYSA-N 0 0 326.740 3.341 10 5 EGBERN C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302610539 456364025 /nfs/dbraw/zinc/36/40/25/456364025.db2.gz BLWPIHYRXXRGFQ-RYUDHWBXSA-N 0 0 326.418 3.379 10 5 EGBERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302815220 456408345 /nfs/dbraw/zinc/40/83/45/456408345.db2.gz KLOUWRAZCSDFKC-CHWSQXEVSA-N 0 0 337.395 3.255 10 5 EGBERN COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1CO ZINC000343147820 456434390 /nfs/dbraw/zinc/43/43/90/456434390.db2.gz CYZLTRBYIMZDGP-UHFFFAOYSA-N 0 0 344.367 3.012 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000348017758 456439349 /nfs/dbraw/zinc/43/93/49/456439349.db2.gz RDUUCOYXGVCUAC-CQSZACIVSA-N 0 0 346.305 3.255 10 5 EGBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000290864142 456451612 /nfs/dbraw/zinc/45/16/12/456451612.db2.gz AFLIUPCJJOISJM-MRXNPFEDSA-N 0 0 329.400 3.111 10 5 EGBERN CCc1sc(NC(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000343198008 456460045 /nfs/dbraw/zinc/46/00/45/456460045.db2.gz RVIGSECYASNGER-UHFFFAOYSA-N 0 0 343.368 3.256 10 5 EGBERN O=C(Nc1ccc(OC2CCCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353082462 456478374 /nfs/dbraw/zinc/47/83/74/456478374.db2.gz DSCYCRDLOYSQOD-UHFFFAOYSA-N 0 0 330.344 3.282 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000348208910 456538148 /nfs/dbraw/zinc/53/81/48/456538148.db2.gz HOPAMUKTWZKXSP-JTQLQIEISA-N 0 0 335.385 3.249 10 5 EGBERN COc1nn(C)cc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353189764 456548964 /nfs/dbraw/zinc/54/89/64/456548964.db2.gz GRSWIMYBIVDORX-UHFFFAOYSA-N 0 0 328.328 3.209 10 5 EGBERN CC(C)c1nn(C)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282562179 456554578 /nfs/dbraw/zinc/55/45/78/456554578.db2.gz AFUKRBDIWQIYAW-UHFFFAOYSA-N 0 0 345.403 3.158 10 5 EGBERN COc1c2ccccc2[nH]c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000353287707 456612260 /nfs/dbraw/zinc/61/22/60/456612260.db2.gz QDODRGMYAIHDEQ-UHFFFAOYSA-N 0 0 337.335 3.288 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(F)(F)C(F)F ZINC000276909301 456617942 /nfs/dbraw/zinc/61/79/42/456617942.db2.gz JTJKLTSWDQJCOJ-UHFFFAOYSA-N 0 0 328.649 3.187 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282846072 456643214 /nfs/dbraw/zinc/64/32/14/456643214.db2.gz NFRSWAWSMZMEJI-NHYWBVRUSA-N 0 0 340.807 3.228 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000338034300 456655368 /nfs/dbraw/zinc/65/53/68/456655368.db2.gz BNWRGQWIPALXGY-QGZVFWFLSA-N 0 0 326.352 3.117 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)cc2OC)c1 ZINC000326408843 456693410 /nfs/dbraw/zinc/69/34/10/456693410.db2.gz KGULJWOCGDGNEU-UHFFFAOYSA-N 0 0 332.312 3.142 10 5 EGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ncccc1Cl ZINC000343578669 456720717 /nfs/dbraw/zinc/72/07/17/456720717.db2.gz NNIMEVGXMFPLNY-UHFFFAOYSA-N 0 0 327.674 3.103 10 5 EGBERN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000299594789 456739310 /nfs/dbraw/zinc/73/93/10/456739310.db2.gz GIHPCXZNUYKVCZ-UHFFFAOYSA-N 0 0 344.367 3.193 10 5 EGBERN COc1cc(Nc2cc(C)n([C@@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000343613080 456744746 /nfs/dbraw/zinc/74/47/46/456744746.db2.gz WVFPHXZAULNRLS-NSHDSACASA-N 0 0 346.387 3.253 10 5 EGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCCCC2)cc1OC ZINC000299630385 456748813 /nfs/dbraw/zinc/74/88/13/456748813.db2.gz QPVMYHVKDDLBLA-UHFFFAOYSA-N 0 0 336.388 3.312 10 5 EGBERN CC[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000338308287 456764187 /nfs/dbraw/zinc/76/41/87/456764187.db2.gz RZMGXBKRZKPKEW-KRWDZBQOSA-N 0 0 342.399 3.457 10 5 EGBERN Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CCCCC2)no1 ZINC000299692977 456766100 /nfs/dbraw/zinc/76/61/00/456766100.db2.gz MGYYEWHRPJEBKD-UHFFFAOYSA-N 0 0 344.371 3.184 10 5 EGBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000301149321 456807499 /nfs/dbraw/zinc/80/74/99/456807499.db2.gz CIEBYGODPMIHIO-LLVKDONJSA-N 0 0 329.331 3.124 10 5 EGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301198256 456820710 /nfs/dbraw/zinc/82/07/10/456820710.db2.gz OWLHYUUYAUFVQF-LBPRGKRZSA-N 0 0 328.328 3.194 10 5 EGBERN CC(C)(C)C[C@H](O)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000292030526 456835338 /nfs/dbraw/zinc/83/53/38/456835338.db2.gz CTCQHBOQORYYLS-GFCCVEGCSA-N 0 0 328.796 3.052 10 5 EGBERN C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1[N+](=O)[O-] ZINC000341310515 456840570 /nfs/dbraw/zinc/84/05/70/456840570.db2.gz VUWCWFWWXSIJAH-LLVKDONJSA-N 0 0 331.347 3.291 10 5 EGBERN COC(=O)c1c(C)csc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000344949175 456874304 /nfs/dbraw/zinc/87/43/04/456874304.db2.gz UWTBPRYRRWDPCJ-UHFFFAOYSA-N 0 0 334.353 3.312 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000344950590 456875341 /nfs/dbraw/zinc/87/53/41/456875341.db2.gz NSONEEHJKPANCI-UHFFFAOYSA-N 0 0 337.738 3.363 10 5 EGBERN COC(=O)c1cc(C)nc(N2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000341724794 456916382 /nfs/dbraw/zinc/91/63/82/456916382.db2.gz CAQGVIBJUHOFDC-AWEZNQCLSA-N 0 0 327.340 3.036 10 5 EGBERN O=C1CCc2cccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)c2C1 ZINC000353810925 456917239 /nfs/dbraw/zinc/91/72/39/456917239.db2.gz MGVULKAGXBXSRP-UHFFFAOYSA-N 0 0 349.346 3.293 10 5 EGBERN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000339065540 456924567 /nfs/dbraw/zinc/92/45/67/456924567.db2.gz GQFPFISBBIHTOK-KSSFIOAISA-N 0 0 328.368 3.168 10 5 EGBERN C[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO[C@H]1C1CC1 ZINC000345132631 456937044 /nfs/dbraw/zinc/93/70/44/456937044.db2.gz CUKCQLHGVULYCH-FUHWJXTLSA-N 0 0 343.383 3.011 10 5 EGBERN Cc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341774761 456937973 /nfs/dbraw/zinc/93/79/73/456937973.db2.gz RFKLWKXGADPTPG-GFCCVEGCSA-N 0 0 338.367 3.130 10 5 EGBERN C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccccc1[N+](=O)[O-] ZINC000341774205 456938625 /nfs/dbraw/zinc/93/86/25/456938625.db2.gz GHHZFTSLNNOTPB-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN CC(C)Oc1cccnc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341779945 456941264 /nfs/dbraw/zinc/94/12/64/456941264.db2.gz VGHAMZYJUGTZII-GFCCVEGCSA-N 0 0 329.356 3.268 10 5 EGBERN CCOc1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344259 456947818 /nfs/dbraw/zinc/94/78/18/456947818.db2.gz RLYRBPJVZXIIEY-FZMZJTMJSA-N 0 0 336.413 3.439 10 5 EGBERN CCc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000339206974 456991677 /nfs/dbraw/zinc/99/16/77/456991677.db2.gz YLDBJVOTENJRBL-UHFFFAOYSA-N 0 0 326.356 3.385 10 5 EGBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356469279 457004637 /nfs/dbraw/zinc/00/46/37/457004637.db2.gz DTRSUIHEAQBJKB-AEFFLSMTSA-N 0 0 344.342 3.203 10 5 EGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358865959 457012079 /nfs/dbraw/zinc/01/20/79/457012079.db2.gz ZZGQGTAFKKBXGN-SECBINFHSA-N 0 0 336.294 3.373 10 5 EGBERN Cc1csc([C@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000341936592 457012704 /nfs/dbraw/zinc/01/27/04/457012704.db2.gz CYWCVRLOEAFOLM-QMMMGPOBSA-N 0 0 341.339 3.058 10 5 EGBERN Cc1occc1CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358899028 457030923 /nfs/dbraw/zinc/03/09/23/457030923.db2.gz JDIFLDNBHZDHFY-UHFFFAOYSA-N 0 0 340.282 3.370 10 5 EGBERN CCOC(=O)c1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000362663686 457033977 /nfs/dbraw/zinc/03/39/77/457033977.db2.gz AUBUECZDYPOXCV-UHFFFAOYSA-N 0 0 345.789 3.428 10 5 EGBERN CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330525396 457053259 /nfs/dbraw/zinc/05/32/59/457053259.db2.gz JQKPLHBBXOECBD-CYBMUJFWSA-N 0 0 347.415 3.089 10 5 EGBERN O=C1CCc2cccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)c2C1 ZINC000354151368 457096137 /nfs/dbraw/zinc/09/61/37/457096137.db2.gz LJUQNRWWCXHSBS-UHFFFAOYSA-N 0 0 341.348 3.431 10 5 EGBERN CCOc1cccc(NCCCNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000359706756 457121160 /nfs/dbraw/zinc/12/11/60/457121160.db2.gz LZLFSUMZDUMQBR-UHFFFAOYSA-N 0 0 343.383 3.226 10 5 EGBERN CCOC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(C)C ZINC000356706924 457127450 /nfs/dbraw/zinc/12/74/50/457127450.db2.gz UITBKCMIHWDYKW-NSHDSACASA-N 0 0 348.321 3.405 10 5 EGBERN CCOC(=O)c1ccnc(N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000362995277 457189419 /nfs/dbraw/zinc/18/94/19/457189419.db2.gz BDHBUVFXZAZJQN-SECBINFHSA-N 0 0 329.303 3.156 10 5 EGBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347069921 457215072 /nfs/dbraw/zinc/21/50/72/457215072.db2.gz CKGBCGLGTYOPMR-XIKOKIGWSA-N 0 0 326.352 3.023 10 5 EGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(Cl)cc3C)no2)n1 ZINC000347125211 457241578 /nfs/dbraw/zinc/24/15/78/457241578.db2.gz ZHPYHRIVRFDGKR-UHFFFAOYSA-N 0 0 347.762 3.414 10 5 EGBERN CC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])c1ccncc1 ZINC000342349826 457250961 /nfs/dbraw/zinc/25/09/61/457250961.db2.gz OAZHNMZFVZNMDT-CYBMUJFWSA-N 0 0 330.344 3.043 10 5 EGBERN CCOC(=O)c1cc(N(C)Cc2cnccc2C)ccc1[N+](=O)[O-] ZINC000360114186 457262577 /nfs/dbraw/zinc/26/25/77/457262577.db2.gz FRQXFWVJJMHZEN-UHFFFAOYSA-N 0 0 329.356 3.111 10 5 EGBERN O=C(NCC(F)(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347159122 457262966 /nfs/dbraw/zinc/26/29/66/457262966.db2.gz RHLBPSJOIJDOBQ-UHFFFAOYSA-N 0 0 342.071 3.041 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(COC[C@@H]2CCOC2)no1 ZINC000351424311 457285499 /nfs/dbraw/zinc/28/54/99/457285499.db2.gz XCVTUKWHGVRULX-ICDLMJIXSA-N 0 0 345.355 3.091 10 5 EGBERN C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000347216372 457293447 /nfs/dbraw/zinc/29/34/47/457293447.db2.gz MGNSIJQBYVERSX-QMMMGPOBSA-N 0 0 328.166 3.231 10 5 EGBERN Cc1cc(OCc2nc([C@H]3CCOC[C@H]3C)no2)ccc1[N+](=O)[O-] ZINC000347262713 457318631 /nfs/dbraw/zinc/31/86/31/457318631.db2.gz LFQFOLGNJDUTQK-YPMHNXCESA-N 0 0 333.344 3.005 10 5 EGBERN CCO[C@H](CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000360733790 457329915 /nfs/dbraw/zinc/32/99/15/457329915.db2.gz WDJQKRRUPSTUEC-QGZVFWFLSA-N 0 0 345.399 3.263 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cncs1 ZINC000347288096 457332645 /nfs/dbraw/zinc/33/26/45/457332645.db2.gz JTILRQHZCIXQTR-UHFFFAOYSA-N 0 0 328.147 3.066 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000378105581 457374842 /nfs/dbraw/zinc/37/48/42/457374842.db2.gz FAPNUEYYCWBPOM-CVEARBPZSA-N 0 0 330.384 3.077 10 5 EGBERN CC(=O)c1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000360936117 457445009 /nfs/dbraw/zinc/44/50/09/457445009.db2.gz LRERRKMINOOJOO-UHFFFAOYSA-N 0 0 334.278 3.257 10 5 EGBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCOCC4CC4)n3)c2c1 ZINC000357365226 457474643 /nfs/dbraw/zinc/47/46/43/457474643.db2.gz CBFJPFOTZRXRJF-UHFFFAOYSA-N 0 0 342.355 3.019 10 5 EGBERN COCC[C@H]1CCCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000364123241 457488029 /nfs/dbraw/zinc/48/80/29/457488029.db2.gz XYVRHAUDLWWMGI-OAHLLOKOSA-N 0 0 349.431 3.062 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1oc(C)nc1C ZINC000425304993 457490324 /nfs/dbraw/zinc/49/03/24/457490324.db2.gz NTPXMNXSZFFFJB-UHFFFAOYSA-N 0 0 335.385 3.242 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1oc(C)nc1C ZINC000425311485 457491466 /nfs/dbraw/zinc/49/14/66/457491466.db2.gz YUZCJPQVHLVJNL-CQSZACIVSA-N 0 0 331.372 3.085 10 5 EGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000357405255 457500178 /nfs/dbraw/zinc/50/01/78/457500178.db2.gz XVOVXPMIABCIAE-QWRGUYRKSA-N 0 0 346.305 3.163 10 5 EGBERN C[C@H](c1cccc(F)c1)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361057148 457551857 /nfs/dbraw/zinc/55/18/57/457551857.db2.gz KZQQFWTVSGXSTI-CYBMUJFWSA-N 0 0 330.363 3.012 10 5 EGBERN NC(=O)c1ccnc(NC2CC(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000357482196 457556690 /nfs/dbraw/zinc/55/66/90/457556690.db2.gz HRWVVOLSKADDRH-UHFFFAOYSA-N 0 0 346.774 3.100 10 5 EGBERN Cc1cnc(CSc2nc3cc4ccccc4cc3c(=O)n2C)nc1 ZINC000361086563 457574022 /nfs/dbraw/zinc/57/40/22/457574022.db2.gz JAKPFRBXRLJAEC-UHFFFAOYSA-N 0 0 348.431 3.477 10 5 EGBERN COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c(C)c([N+](=O)[O-])c1 ZINC000425560285 457599765 /nfs/dbraw/zinc/59/97/65/457599765.db2.gz JGLXULYOWNGCPJ-ZYHUDNBSSA-N 0 0 338.335 3.157 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC(c2ccccc2F)C1 ZINC000361225147 457654335 /nfs/dbraw/zinc/65/43/35/457654335.db2.gz OHWZELJSQPEOTL-UHFFFAOYSA-N 0 0 339.326 3.455 10 5 EGBERN COc1ccc(-c2nc(CC3CCC(OC)CC3)no2)cc1[N+](=O)[O-] ZINC000357754183 457678692 /nfs/dbraw/zinc/67/86/92/457678692.db2.gz YUUSYVTYASCBSG-UHFFFAOYSA-N 0 0 347.371 3.401 10 5 EGBERN CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ncccc1C ZINC000410814610 457756937 /nfs/dbraw/zinc/75/69/37/457756937.db2.gz BAVBKPSDKOPNBW-UHFFFAOYSA-N 0 0 333.319 3.113 10 5 EGBERN CCc1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000443464104 457768003 /nfs/dbraw/zinc/76/80/03/457768003.db2.gz DLBQSHTTZSYJEV-UHFFFAOYSA-N 0 0 343.358 3.298 10 5 EGBERN CCOc1cc(C(=O)NC(C)(C)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000411043202 457783470 /nfs/dbraw/zinc/78/34/70/457783470.db2.gz NRFBLJBOTWRGSC-UHFFFAOYSA-N 0 0 336.388 3.311 10 5 EGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCOCC1 ZINC000375148353 457810207 /nfs/dbraw/zinc/81/02/07/457810207.db2.gz LMEYLDKLYQRQHR-VIFPVBQESA-N 0 0 343.177 3.113 10 5 EGBERN C[C@@H]1CCCC[C@@H]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443774761 457811203 /nfs/dbraw/zinc/81/12/03/457811203.db2.gz SIMAMTFGXYSCBP-UKRRQHHQSA-N 0 0 340.445 3.231 10 5 EGBERN CN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411148009 457813025 /nfs/dbraw/zinc/81/30/25/457813025.db2.gz JYHLQQIABUGSRU-DLBZAZTESA-N 0 0 328.343 3.496 10 5 EGBERN CCOC(=O)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000433548713 457846506 /nfs/dbraw/zinc/84/65/06/457846506.db2.gz DRHKXAFGNYHQJY-UHFFFAOYSA-N 0 0 349.387 3.291 10 5 EGBERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000366610829 457869038 /nfs/dbraw/zinc/86/90/38/457869038.db2.gz TVENORLYZZHCPT-MRXNPFEDSA-N 0 0 342.399 3.487 10 5 EGBERN Cc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000445172832 458023058 /nfs/dbraw/zinc/02/30/58/458023058.db2.gz LQAMJKSKBPGPMA-HNNXBMFYSA-N 0 0 341.367 3.290 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000427710856 458025336 /nfs/dbraw/zinc/02/53/36/458025336.db2.gz GPYAYNGVQLBQHT-UHFFFAOYSA-N 0 0 326.312 3.040 10 5 EGBERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cccc([N+](=O)[O-])c1 ZINC000434791395 458052577 /nfs/dbraw/zinc/05/25/77/458052577.db2.gz CLVVJFCNEPZUGZ-ROUUACIJSA-N 0 0 340.379 3.474 10 5 EGBERN Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744655 458057737 /nfs/dbraw/zinc/05/77/37/458057737.db2.gz ATOJSXYAVMDPPF-MJGOQNOKSA-N 0 0 326.396 3.426 10 5 EGBERN C/C(=C\c1ccc(C)cc1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445585282 458067369 /nfs/dbraw/zinc/06/73/69/458067369.db2.gz VYHVMCHVUCHKKO-DHZHZOJOSA-N 0 0 325.328 3.247 10 5 EGBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000428100793 458080276 /nfs/dbraw/zinc/08/02/76/458080276.db2.gz QUODGIYKUZKWCI-DDFAGTSDSA-N 0 0 344.289 3.064 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@]1(O)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000458529761 458083257 /nfs/dbraw/zinc/08/32/57/458083257.db2.gz ZRGRRIHJKLRQIZ-QAPCUYQASA-N 0 0 349.431 3.286 10 5 EGBERN Cc1cn(CCC(=O)Nc2cccc(C(F)(F)F)c2)nc1[N+](=O)[O-] ZINC000362316154 458101295 /nfs/dbraw/zinc/10/12/95/458101295.db2.gz BSHPIPPMMMSAGJ-UHFFFAOYSA-N 0 0 342.277 3.147 10 5 EGBERN COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000358707802 458162399 /nfs/dbraw/zinc/16/23/99/458162399.db2.gz WQGQYQWNFPBSSH-MSOLQXFVSA-N 0 0 340.379 3.066 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCNc1ccccc1F ZINC000446416485 458188423 /nfs/dbraw/zinc/18/84/23/458188423.db2.gz SKLLVBSUYKRBAT-UHFFFAOYSA-N 0 0 331.347 3.274 10 5 EGBERN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)nn1[C@@H](C)C1CC1 ZINC000446484698 458191131 /nfs/dbraw/zinc/19/11/31/458191131.db2.gz KMSSBJYXNLHTJF-LBPRGKRZSA-N 0 0 343.387 3.445 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000412457081 458209243 /nfs/dbraw/zinc/20/92/43/458209243.db2.gz JKENFAUAXKUURG-QAPCUYQASA-N 0 0 346.427 3.191 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000358798094 458224335 /nfs/dbraw/zinc/22/43/35/458224335.db2.gz YNZUBGKJYDSFNN-NSHDSACASA-N 0 0 327.331 3.244 10 5 EGBERN CC1=C[C@H](C)CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000436012971 458236189 /nfs/dbraw/zinc/23/61/89/458236189.db2.gz AYPUDZYOIDVZKE-CMPLNLGQSA-N 0 0 338.791 3.440 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000412691861 458272873 /nfs/dbraw/zinc/27/28/73/458272873.db2.gz MIBFPOYUSFITGZ-AEGPPILISA-N 0 0 342.399 3.031 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](C3CCCCC3)C1)CCN2 ZINC000436322918 458288739 /nfs/dbraw/zinc/28/87/39/458288739.db2.gz FCZNEYNXQUFGDK-KRWDZBQOSA-N 0 0 331.416 3.348 10 5 EGBERN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436354733 458294013 /nfs/dbraw/zinc/29/40/13/458294013.db2.gz WLEFEEZBXZMLMX-SFHVURJKSA-N 0 0 348.399 3.241 10 5 EGBERN CC(C)Oc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447674520 458328121 /nfs/dbraw/zinc/32/81/21/458328121.db2.gz DPASSRNVZAVJIL-UHFFFAOYSA-N 0 0 326.356 3.292 10 5 EGBERN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436779397 458379708 /nfs/dbraw/zinc/37/97/08/458379708.db2.gz KPNQKZIBHVWQLT-UHFFFAOYSA-N 0 0 349.431 3.027 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1CN(C)CCOc1ccc(C)cc1 ZINC000430193507 458418838 /nfs/dbraw/zinc/41/88/38/458418838.db2.gz GKKVMZCXNZMKNO-UHFFFAOYSA-N 0 0 330.384 3.423 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000430235090 458426427 /nfs/dbraw/zinc/42/64/27/458426427.db2.gz CHWKMIIYXLZKLL-GFCCVEGCSA-N 0 0 339.189 3.420 10 5 EGBERN O=C(N[C@@H]1CC12CCCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000430244582 458427429 /nfs/dbraw/zinc/42/74/29/458427429.db2.gz PQGWMDFTWKZTGL-GFCCVEGCSA-N 0 0 326.299 3.259 10 5 EGBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249182 458428429 /nfs/dbraw/zinc/42/84/29/458428429.db2.gz IBAWZDGNFJWOEZ-BASYENTBSA-N 0 0 334.416 3.314 10 5 EGBERN CN(C(=O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326447 458439136 /nfs/dbraw/zinc/43/91/36/458439136.db2.gz JWWSKOPVKKUVTH-CQSZACIVSA-N 0 0 345.424 3.141 10 5 EGBERN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000423483932 458441285 /nfs/dbraw/zinc/44/12/85/458441285.db2.gz QJNRIPDCZSAYIL-FZMZJTMJSA-N 0 0 345.415 3.052 10 5 EGBERN Cc1cc(OCC(=O)N(C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000430405760 458447526 /nfs/dbraw/zinc/44/75/26/458447526.db2.gz KRTRRHHGUSHFQE-UHFFFAOYSA-N 0 0 346.358 3.122 10 5 EGBERN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000430536473 458457708 /nfs/dbraw/zinc/45/77/08/458457708.db2.gz DFYAMIWQUORKMD-UHFFFAOYSA-N 0 0 342.351 3.246 10 5 EGBERN CC[C@@H]1CN(c2ccccc2)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000460962686 458542470 /nfs/dbraw/zinc/54/24/70/458542470.db2.gz LNWJVSVJORCMBO-OAHLLOKOSA-N 0 0 326.400 3.403 10 5 EGBERN Cc1c(NC(=O)[C@@H]2CCO[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000431247194 458546675 /nfs/dbraw/zinc/54/66/75/458546675.db2.gz DRZXXXCOLMGNKS-PSASIEDQSA-N 0 0 343.177 3.029 10 5 EGBERN Cc1cc(F)cc2[nH]c(C(=O)NCCc3ccccc3[N+](=O)[O-])cc21 ZINC000461273018 458554456 /nfs/dbraw/zinc/55/44/56/458554456.db2.gz QZTRYTVIMVUNQY-UHFFFAOYSA-N 0 0 341.342 3.496 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1noc(C)n1 ZINC000377937980 458578208 /nfs/dbraw/zinc/57/82/08/458578208.db2.gz AOOXVHSSTOLCRS-HNNXBMFYSA-N 0 0 346.387 3.412 10 5 EGBERN Cc1cc(N[C@@H](C)c2ncc(Br)cn2)ncc1[N+](=O)[O-] ZINC000431491227 458579812 /nfs/dbraw/zinc/57/98/12/458579812.db2.gz SKAHQCSOSNTZPJ-QMMMGPOBSA-N 0 0 338.165 3.024 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000494144462 458632429 /nfs/dbraw/zinc/63/24/29/458632429.db2.gz HCQUBMFLVBXNMP-UHFFFAOYSA-N 0 0 343.383 3.041 10 5 EGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456377489 458655231 /nfs/dbraw/zinc/65/52/31/458655231.db2.gz LNUDUBZSSPYVTG-GFCCVEGCSA-N 0 0 334.763 3.339 10 5 EGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000439129286 458659674 /nfs/dbraw/zinc/65/96/74/458659674.db2.gz IUHKVGLOXMYJAB-ZDUSSCGKSA-N 0 0 346.770 3.290 10 5 EGBERN CCCc1ncc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1 ZINC000456538615 458707264 /nfs/dbraw/zinc/70/72/64/458707264.db2.gz UACHDVBOAZGJOW-UHFFFAOYSA-N 0 0 335.385 3.187 10 5 EGBERN O=[N+]([O-])c1cccc(Cl)c1NCCCc1nnc2ccccn21 ZINC000432325462 458715391 /nfs/dbraw/zinc/71/53/91/458715391.db2.gz KSJFGRMNAKRQHY-UHFFFAOYSA-N 0 0 331.763 3.336 10 5 EGBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295494 458715944 /nfs/dbraw/zinc/71/59/44/458715944.db2.gz QQBFESPNIIGILX-HNNXBMFYSA-N 0 0 349.362 3.130 10 5 EGBERN Cc1nc2sc3c(c2c(-n2cc([N+](=O)[O-])cn2)n1)CCCCC3 ZINC000439615215 458731366 /nfs/dbraw/zinc/73/13/66/458731366.db2.gz BLKSFGJHLFLPLO-UHFFFAOYSA-N 0 0 329.385 3.363 10 5 EGBERN O=C(NCc1ccncc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000547739320 458782939 /nfs/dbraw/zinc/78/29/39/458782939.db2.gz GICOXXPRPPFONX-UHFFFAOYSA-N 0 0 343.236 3.078 10 5 EGBERN COc1nn(C)cc1N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000474075446 458859249 /nfs/dbraw/zinc/85/92/49/458859249.db2.gz UDCAFVHPNKWVGK-OCCSQVGLSA-N 0 0 330.388 3.160 10 5 EGBERN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633393 458949926 /nfs/dbraw/zinc/94/99/26/458949926.db2.gz PIBDQHBRLBPTNJ-UHFFFAOYSA-N 0 0 326.356 3.151 10 5 EGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475613139 458954460 /nfs/dbraw/zinc/95/44/60/458954460.db2.gz AIVHMUCSTRMLMD-RNYZQXAPSA-N 0 0 346.427 3.268 10 5 EGBERN CO[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000441716035 458972050 /nfs/dbraw/zinc/97/20/50/458972050.db2.gz ILOMBLPJRYCLCT-CQDKDKBSSA-N 0 0 338.429 3.149 10 5 EGBERN Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577224203 459002192 /nfs/dbraw/zinc/00/21/92/459002192.db2.gz URMGPFAWCIWODG-CYBMUJFWSA-N 0 0 335.404 3.278 10 5 EGBERN COC(C)(C)c1nc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000566884610 459016288 /nfs/dbraw/zinc/01/62/88/459016288.db2.gz MGYXSRMMUJJQCC-UHFFFAOYSA-N 0 0 349.412 3.171 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000476874551 459020674 /nfs/dbraw/zinc/02/06/74/459020674.db2.gz YNOBBDSRKWFTPT-MFKMUULPSA-N 0 0 345.321 3.467 10 5 EGBERN COc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000477084695 459030131 /nfs/dbraw/zinc/03/01/31/459030131.db2.gz GDGHTFNNZBYBAZ-UHFFFAOYSA-N 0 0 330.340 3.481 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000567092738 459045949 /nfs/dbraw/zinc/04/59/49/459045949.db2.gz ANHKPHKRUSVLEM-INIZCTEOSA-N 0 0 339.395 3.343 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477691012 459054495 /nfs/dbraw/zinc/05/44/95/459054495.db2.gz DOSFJCICYAQZEO-CYBMUJFWSA-N 0 0 336.338 3.445 10 5 EGBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](C3CC3)[C@@H]3CCCCO3)cc2N1 ZINC000594589985 459100282 /nfs/dbraw/zinc/10/02/82/459100282.db2.gz HCHKTXKSHVRPPU-FUHWJXTLSA-N 0 0 345.399 3.239 10 5 EGBERN C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591845 459100777 /nfs/dbraw/zinc/10/07/77/459100777.db2.gz MXBKHVPZSSQPFY-MCIONIFRSA-N 0 0 344.415 3.053 10 5 EGBERN COc1c(C)cccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000594595013 459102438 /nfs/dbraw/zinc/10/24/38/459102438.db2.gz FGIRUFYGHYMSQZ-UHFFFAOYSA-N 0 0 341.367 3.409 10 5 EGBERN Cc1nc(C(C)C)oc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000590392909 459122625 /nfs/dbraw/zinc/12/26/25/459122625.db2.gz IWDJQKLDSAHXDV-UHFFFAOYSA-N 0 0 342.355 3.426 10 5 EGBERN CN(Cc1cccc(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000532669790 459127669 /nfs/dbraw/zinc/12/76/69/459127669.db2.gz CGQDQZNXWDGSKO-UHFFFAOYSA-N 0 0 325.324 3.054 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000594689122 459130243 /nfs/dbraw/zinc/13/02/43/459130243.db2.gz CSRULAWRYPVSLC-SUMWQHHRSA-N 0 0 328.368 3.250 10 5 EGBERN CC(C)[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000558123043 459133478 /nfs/dbraw/zinc/13/34/78/459133478.db2.gz RBXIUOUZGKPLKR-OAHLLOKOSA-N 0 0 326.343 3.453 10 5 EGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734084 459144887 /nfs/dbraw/zinc/14/48/87/459144887.db2.gz OACLWNXEPPJZTO-JLLWLGSASA-N 0 0 346.305 3.241 10 5 EGBERN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1F ZINC000532789984 459146140 /nfs/dbraw/zinc/14/61/40/459146140.db2.gz YKKRVVPREXNLGI-UHFFFAOYSA-N 0 0 346.314 3.320 10 5 EGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756129 459151876 /nfs/dbraw/zinc/15/18/76/459151876.db2.gz XNLFFJSMQZLMJG-GFCCVEGCSA-N 0 0 349.412 3.096 10 5 EGBERN CCCC[C@@H](C)N(CCCC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777256 459153998 /nfs/dbraw/zinc/15/39/98/459153998.db2.gz XYNKNXJQYSLMSE-CYBMUJFWSA-N 0 0 343.449 3.359 10 5 EGBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]1C(F)F ZINC000590608036 459161609 /nfs/dbraw/zinc/16/16/09/459161609.db2.gz XKIJSNNPACXJBM-MRVPVSSYSA-N 0 0 337.229 3.068 10 5 EGBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000578331303 459183389 /nfs/dbraw/zinc/18/33/89/459183389.db2.gz NJWAWZMCCUNKMW-JOYOIKCWSA-N 0 0 348.321 3.141 10 5 EGBERN COC(=O)c1ccc(OCc2cc(C(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000590736827 459199779 /nfs/dbraw/zinc/19/97/79/459199779.db2.gz QOWFLLHDBZVZJO-UHFFFAOYSA-N 0 0 334.328 3.246 10 5 EGBERN COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000590876697 459254584 /nfs/dbraw/zinc/25/45/84/459254584.db2.gz JHQWOXXHOUHGIL-UHFFFAOYSA-N 0 0 326.352 3.110 10 5 EGBERN CCC(CC)CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595206237 459257313 /nfs/dbraw/zinc/25/73/13/459257313.db2.gz SPOZSZMOYIKFIP-UHFFFAOYSA-N 0 0 335.404 3.208 10 5 EGBERN Cc1c(CNC(=O)[C@@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000481495110 459257588 /nfs/dbraw/zinc/25/75/88/459257588.db2.gz RVGGECMKIQXDAN-ZDUSSCGKSA-N 0 0 328.368 3.235 10 5 EGBERN Cc1c(CC(=O)NC2CCC(OC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000590883917 459257941 /nfs/dbraw/zinc/25/79/41/459257941.db2.gz JDOXXZWRAAAUPC-UHFFFAOYSA-N 0 0 342.342 3.112 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3ncccc3C)CC2)n1 ZINC000559590554 459267262 /nfs/dbraw/zinc/26/72/62/459267262.db2.gz JWNMCGCUCLDSNM-UHFFFAOYSA-N 0 0 342.399 3.358 10 5 EGBERN Cc1noc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)c1[N+](=O)[O-] ZINC000595421770 459295644 /nfs/dbraw/zinc/29/56/44/459295644.db2.gz UROTZDAGOHWLAC-NSHDSACASA-N 0 0 341.371 3.236 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595471741 459315160 /nfs/dbraw/zinc/31/51/60/459315160.db2.gz PIVQSGVDZHTUTO-AWEZNQCLSA-N 0 0 347.415 3.325 10 5 EGBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000568688540 459328745 /nfs/dbraw/zinc/32/87/45/459328745.db2.gz RZZGJVZPESPVFI-CYBMUJFWSA-N 0 0 345.403 3.160 10 5 EGBERN O=c1[nH]cnc2cc(NC3CCC(C(F)F)CC3)c([N+](=O)[O-])cc12 ZINC000591178728 459329105 /nfs/dbraw/zinc/32/91/05/459329105.db2.gz GRWNLIAZXTUFCV-UHFFFAOYSA-N 0 0 338.314 3.479 10 5 EGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1 ZINC000534512205 459329505 /nfs/dbraw/zinc/32/95/05/459329505.db2.gz UFFRIQPFESCZEX-UHFFFAOYSA-N 0 0 345.786 3.245 10 5 EGBERN Cc1cc(N[C@H]2CCNC(=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591196025 459330626 /nfs/dbraw/zinc/33/06/26/459330626.db2.gz VKENDCAJZSIWLS-SECBINFHSA-N 0 0 331.294 3.003 10 5 EGBERN CCc1nnc([C@@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519750 459331328 /nfs/dbraw/zinc/33/13/28/459331328.db2.gz CCDWIPVCKZDLEF-OCCSQVGLSA-N 0 0 329.404 3.216 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595524164 459334485 /nfs/dbraw/zinc/33/44/85/459334485.db2.gz YRJUZCHBSLMXLJ-UHFFFAOYSA-N 0 0 329.347 3.118 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595549654 459342832 /nfs/dbraw/zinc/34/28/32/459342832.db2.gz UQZYPIJCCCKOMS-GXTWGEPZSA-N 0 0 335.404 3.079 10 5 EGBERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595549656 459344658 /nfs/dbraw/zinc/34/46/58/459344658.db2.gz UQZYPIJCCCKOMS-OCCSQVGLSA-N 0 0 335.404 3.079 10 5 EGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC000595574059 459351599 /nfs/dbraw/zinc/35/15/99/459351599.db2.gz NVHGAFJDIFXRLW-MRXNPFEDSA-N 0 0 331.416 3.359 10 5 EGBERN CCc1cccc(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000568895999 459362346 /nfs/dbraw/zinc/36/23/46/459362346.db2.gz VRRMLHBFNGQJCE-UHFFFAOYSA-N 0 0 326.396 3.401 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000591513803 459394732 /nfs/dbraw/zinc/39/47/32/459394732.db2.gz DNJAJHCSEZXBRN-GXFFZTMASA-N 0 0 346.305 3.003 10 5 EGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CCOC)C1 ZINC000591786076 459435795 /nfs/dbraw/zinc/43/57/95/459435795.db2.gz WJVHPULCYIRQQF-UHFFFAOYSA-N 0 0 338.429 3.205 10 5 EGBERN CC1(C)CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000569439385 459450839 /nfs/dbraw/zinc/45/08/39/459450839.db2.gz PONUAPZNIRHYCU-UHFFFAOYSA-N 0 0 332.385 3.214 10 5 EGBERN C[C@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816845 459451488 /nfs/dbraw/zinc/45/14/88/459451488.db2.gz YGOLQPDFUVUACG-LBPRGKRZSA-N 0 0 330.388 3.005 10 5 EGBERN C[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395761 459452396 /nfs/dbraw/zinc/45/23/96/459452396.db2.gz PUWVJXNHUHRLPB-GFCCVEGCSA-N 0 0 345.374 3.393 10 5 EGBERN O=[N+]([O-])c1cccc(N2CCN(c3nc4c(cccc4F)o3)CC2)c1 ZINC000485825466 459472725 /nfs/dbraw/zinc/47/27/25/459472725.db2.gz UFHQTZJUXVHZJV-UHFFFAOYSA-N 0 0 342.330 3.202 10 5 EGBERN O=[N+]([O-])c1cc2c(nc1N1CCOc3ccccc3C1)CCCC2 ZINC000591898921 459472738 /nfs/dbraw/zinc/47/27/38/459472738.db2.gz QHLXJWPMTUSCBL-UHFFFAOYSA-N 0 0 325.368 3.268 10 5 EGBERN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889130 459477038 /nfs/dbraw/zinc/47/70/38/459477038.db2.gz HFRUTTNJYQRWIN-ZJUUUORDSA-N 0 0 336.285 3.276 10 5 EGBERN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978486 459482175 /nfs/dbraw/zinc/48/21/75/459482175.db2.gz JMFFOGVFZFMWDT-ZBFHGGJFSA-N 0 0 334.326 3.125 10 5 EGBERN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000595923517 459487266 /nfs/dbraw/zinc/48/72/66/459487266.db2.gz XXQMODHGGKSHGD-RTHLEPHNSA-N 0 0 336.285 3.118 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(C)c1 ZINC000486127073 459489428 /nfs/dbraw/zinc/48/94/28/459489428.db2.gz VNOLDDDAVGBMCS-UHFFFAOYSA-N 0 0 329.356 3.353 10 5 EGBERN CC(C)[C@@H]1N(C(=O)NCc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000591933559 459490710 /nfs/dbraw/zinc/49/07/10/459490710.db2.gz JDLRBPSWOSZDHW-INIZCTEOSA-N 0 0 329.400 3.481 10 5 EGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000591941667 459491757 /nfs/dbraw/zinc/49/17/57/459491757.db2.gz QQJCRAYXSZLUQE-BZUAXINKSA-N 0 0 331.416 3.405 10 5 EGBERN CC1(C)Cc2n[nH]cc2CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000596001324 459493071 /nfs/dbraw/zinc/49/30/71/459493071.db2.gz RIGVXMLQVWEZAY-UHFFFAOYSA-N 0 0 337.383 3.455 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCc2n[nH]cc2C1 ZINC000596004312 459493837 /nfs/dbraw/zinc/49/38/37/459493837.db2.gz XIPAZMRAMBVMRF-UHFFFAOYSA-N 0 0 337.177 3.033 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000591958283 459496658 /nfs/dbraw/zinc/49/66/58/459496658.db2.gz RPCNAQRYXWLMID-DGCLKSJQSA-N 0 0 335.404 3.102 10 5 EGBERN Cc1cc(NCCCc2ncn(C)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591967743 459500336 /nfs/dbraw/zinc/50/03/36/459500336.db2.gz POROVLHAQVGJNY-UHFFFAOYSA-N 0 0 343.309 3.095 10 5 EGBERN CC[C@H](NC(=O)N1CCOC[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000591972851 459501896 /nfs/dbraw/zinc/50/18/96/459501896.db2.gz ABEKAOTZPOXOPZ-IRXDYDNUSA-N 0 0 347.415 3.256 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000541935894 459512653 /nfs/dbraw/zinc/51/26/53/459512653.db2.gz JGVVLHMUSOZXEI-CZUORRHYSA-N 0 0 327.384 3.435 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000541933308 459512956 /nfs/dbraw/zinc/51/29/56/459512956.db2.gz LWPOTLVWKSDTNF-NSHDSACASA-N 0 0 333.310 3.154 10 5 EGBERN COc1cc(NCCCc2nc(C(C)C)no2)c([N+](=O)[O-])cc1C ZINC000596094089 459519083 /nfs/dbraw/zinc/51/90/83/459519083.db2.gz LUMIGTSUXZPNFF-UHFFFAOYSA-N 0 0 334.376 3.463 10 5 EGBERN COc1ccccc1CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596105191 459522542 /nfs/dbraw/zinc/52/25/42/459522542.db2.gz SCHQYRLFZIAQMV-UHFFFAOYSA-N 0 0 343.383 3.163 10 5 EGBERN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048032 459522828 /nfs/dbraw/zinc/52/28/28/459522828.db2.gz WNLWWNREYJWOQG-LBPRGKRZSA-N 0 0 347.793 3.410 10 5 EGBERN COCC1(C2CCC2)CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000596168006 459545940 /nfs/dbraw/zinc/54/59/40/459545940.db2.gz MYOWVZIJOGNXRC-ZDUSSCGKSA-N 0 0 347.415 3.114 10 5 EGBERN COC(=O)c1c(Cl)c(N2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596204943 459559684 /nfs/dbraw/zinc/55/96/84/459559684.db2.gz DNHGQKWCNYMCFP-SECBINFHSA-N 0 0 344.820 3.367 10 5 EGBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1(c2cccc(Cl)c2)CCC1 ZINC000592246948 459560108 /nfs/dbraw/zinc/56/01/08/459560108.db2.gz QEFYDPGLORTRRU-UHFFFAOYSA-N 0 0 346.774 3.266 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCC(F)CC1 ZINC000592250573 459560113 /nfs/dbraw/zinc/56/01/13/459560113.db2.gz SLWXMWHJXDXCRQ-UHFFFAOYSA-N 0 0 325.340 3.253 10 5 EGBERN CC(C)C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596280093 459582905 /nfs/dbraw/zinc/58/29/05/459582905.db2.gz AHNRLMMAUIYWQG-NSHDSACASA-N 0 0 339.392 3.111 10 5 EGBERN CCc1cc(CCCn2ccc3ccc([N+](=O)[O-])cc3c2=O)on1 ZINC000596298875 459587751 /nfs/dbraw/zinc/58/77/51/459587751.db2.gz BBECOAVMGQTVHJ-UHFFFAOYSA-N 0 0 327.340 3.093 10 5 EGBERN Cn1c(CSc2ccccc2[N+](=O)[O-])nnc1N1CCCC1(C)C ZINC000592395341 459590986 /nfs/dbraw/zinc/59/09/86/459590986.db2.gz ARUAIOJUZLKGON-UHFFFAOYSA-N 0 0 347.444 3.394 10 5 EGBERN COc1cc(N2CCO[C@](C)(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596337553 459600710 /nfs/dbraw/zinc/60/07/10/459600710.db2.gz BPCXKPNPXOPQLC-HNNXBMFYSA-N 0 0 326.780 3.262 10 5 EGBERN Cc1noc([C@H](C)N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000583881114 459612185 /nfs/dbraw/zinc/61/21/85/459612185.db2.gz SCEYKQJXQPHCEL-QMMMGPOBSA-N 0 0 338.751 3.081 10 5 EGBERN CO[C@@H](CSCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000596390584 459619681 /nfs/dbraw/zinc/61/96/81/459619681.db2.gz RTCPMXYJPJNIMS-XPTSAGLGSA-N 0 0 333.356 3.158 10 5 EGBERN Cc1c(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]c1C(C)C ZINC000592523818 459623430 /nfs/dbraw/zinc/62/34/30/459623430.db2.gz CPIVUPIEORMXFG-LLVKDONJSA-N 0 0 345.403 3.001 10 5 EGBERN C[C@H](SCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000596413191 459628463 /nfs/dbraw/zinc/62/84/63/459628463.db2.gz PDAQJWBBNCUFCH-NSHDSACASA-N 0 0 335.433 3.373 10 5 EGBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC2(CCC2)OC[C@H]1C ZINC000596439263 459636742 /nfs/dbraw/zinc/63/67/42/459636742.db2.gz CEVHFHRNQGBNND-GFCCVEGCSA-N 0 0 343.383 3.299 10 5 EGBERN Cc1cc(N2C[C@]3(C)COC[C@]3(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596442171 459638170 /nfs/dbraw/zinc/63/81/70/459638170.db2.gz JCELIOPBMRJTSU-HDICACEKSA-N 0 0 327.384 3.314 10 5 EGBERN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C2CC2)cc1 ZINC000499588457 459641267 /nfs/dbraw/zinc/64/12/67/459641267.db2.gz HOCHAOUTNACGGC-GFCCVEGCSA-N 0 0 343.383 3.387 10 5 EGBERN CC[C@H](NC(=O)N[C@H](C1CC1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000596455260 459642746 /nfs/dbraw/zinc/64/27/46/459642746.db2.gz RCRHYINCWGNZBV-JKSUJKDBSA-N 0 0 349.431 3.142 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@](O)(C2CC2)C1 ZINC000596468717 459646755 /nfs/dbraw/zinc/64/67/55/459646755.db2.gz MXOCVFQKGQRAPT-HNNXBMFYSA-N 0 0 339.779 3.017 10 5 EGBERN CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000596472401 459648865 /nfs/dbraw/zinc/64/88/65/459648865.db2.gz ACKCCAMPQYKNHZ-OCCSQVGLSA-N 0 0 335.404 3.103 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(c2ccon2)CC1 ZINC000596486812 459653904 /nfs/dbraw/zinc/65/39/04/459653904.db2.gz CNFHICBBMGBTIQ-UHFFFAOYSA-N 0 0 334.307 3.133 10 5 EGBERN COC(=O)C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000596491330 459655230 /nfs/dbraw/zinc/65/52/30/459655230.db2.gz KDKCRGAVNZGSGP-SNVBAGLBSA-N 0 0 344.314 3.197 10 5 EGBERN C[C@]1(C(F)F)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596502523 459658644 /nfs/dbraw/zinc/65/86/44/459658644.db2.gz RNXXKCHOGLKYKF-CYBMUJFWSA-N 0 0 349.721 3.136 10 5 EGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596502350 459658734 /nfs/dbraw/zinc/65/87/34/459658734.db2.gz MXPQNNRWICYZBD-YMTOWFKASA-N 0 0 341.289 3.299 10 5 EGBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000592675974 459662465 /nfs/dbraw/zinc/66/24/65/459662465.db2.gz GXZLTGFMKWVEFT-UHFFFAOYSA-N 0 0 326.352 3.331 10 5 EGBERN O=C(N[C@@H](C1CCC1)C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592680999 459664379 /nfs/dbraw/zinc/66/43/79/459664379.db2.gz KBYFJVQKMQUQFK-QGZVFWFLSA-N 0 0 346.383 3.412 10 5 EGBERN C[C@@H](NC(=O)N[C@@H]1CCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000596539061 459670223 /nfs/dbraw/zinc/67/02/23/459670223.db2.gz AOVNAJLLZQGHBR-BDJLRTHQSA-N 0 0 341.367 3.348 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CCC(F)CC1 ZINC000592720071 459676131 /nfs/dbraw/zinc/67/61/31/459676131.db2.gz AWVFDAICGSWHKA-UHFFFAOYSA-N 0 0 326.393 3.331 10 5 EGBERN O=C(NC1(c2cccc(Cl)c2)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000592723203 459677046 /nfs/dbraw/zinc/67/70/46/459677046.db2.gz ZPGXUOFYLVJGHW-UHFFFAOYSA-N 0 0 331.759 3.452 10 5 EGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596559093 459677292 /nfs/dbraw/zinc/67/72/92/459677292.db2.gz WJPRYKZDZUPFIX-JTQLQIEISA-N 0 0 341.289 3.301 10 5 EGBERN C[C@@H](O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000596567760 459679028 /nfs/dbraw/zinc/67/90/28/459679028.db2.gz VOOYZMJFTFOGER-ZMZPIMSZSA-N 0 0 341.367 3.014 10 5 EGBERN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C(F)F)O1 ZINC000596572016 459681534 /nfs/dbraw/zinc/68/15/34/459681534.db2.gz IZNPQPCRDALSFD-HWPZZCPQSA-N 0 0 337.326 3.392 10 5 EGBERN CC(C)Oc1nc(N2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572360 459682137 /nfs/dbraw/zinc/68/21/37/459682137.db2.gz MAHDBUBCZRKLBK-BONVTDFDSA-N 0 0 345.346 3.026 10 5 EGBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@](C)(C(F)F)O1 ZINC000596573863 459682168 /nfs/dbraw/zinc/68/21/68/459682168.db2.gz YRNIGTOEVHOHCW-QLJPJBMISA-N 0 0 337.326 3.392 10 5 EGBERN COc1cc(N2CCO[C@](C)(C(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596576012 459682957 /nfs/dbraw/zinc/68/29/57/459682957.db2.gz XYBVZFULKMIVPQ-ZDUSSCGKSA-N 0 0 336.722 3.117 10 5 EGBERN CCc1nccn1[C@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592773185 459688540 /nfs/dbraw/zinc/68/85/40/459688540.db2.gz YCSLYVXOSWJQSH-CYBMUJFWSA-N 0 0 344.415 3.356 10 5 EGBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](OC)C3CCC3)n2)c1 ZINC000596593942 459688784 /nfs/dbraw/zinc/68/87/84/459688784.db2.gz WDLINXWJZRILOZ-HNNXBMFYSA-N 0 0 333.344 3.065 10 5 EGBERN Cc1cc(OCC(=O)N2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000584263228 459693224 /nfs/dbraw/zinc/69/32/24/459693224.db2.gz MBYRMSFULVJLSI-UHFFFAOYSA-N 0 0 332.400 3.321 10 5 EGBERN COc1cccc(C(=O)NC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000500936164 459703560 /nfs/dbraw/zinc/70/35/60/459703560.db2.gz HTHGDOPTVMWVJF-UHFFFAOYSA-N 0 0 326.352 3.279 10 5 EGBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000592875591 459709561 /nfs/dbraw/zinc/70/95/61/459709561.db2.gz ZHUBFGVBIAZSSB-CHWSQXEVSA-N 0 0 331.416 3.465 10 5 EGBERN CC(C)(C)c1ccc(NC(=O)N(CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000501074977 459709848 /nfs/dbraw/zinc/70/98/48/459709848.db2.gz SRAJZHLSWHSZQX-UHFFFAOYSA-N 0 0 335.404 3.129 10 5 EGBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000596647672 459713221 /nfs/dbraw/zinc/71/32/21/459713221.db2.gz UPPDSVJRECSBHW-GOSISDBHSA-N 0 0 343.379 3.354 10 5 EGBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 ZINC000592902649 459716922 /nfs/dbraw/zinc/71/69/22/459716922.db2.gz RWMKRDCYYDEDCA-INIZCTEOSA-N 0 0 330.384 3.420 10 5 EGBERN O=C([O-])C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000596658530 459717622 /nfs/dbraw/zinc/71/76/22/459717622.db2.gz SYWUWAWVEQTMQF-UHFFFAOYSA-N 0 0 347.396 3.063 10 5 EGBERN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000592977495 459727250 /nfs/dbraw/zinc/72/72/50/459727250.db2.gz NCBBWMNOPROYRL-NVXWUHKLSA-N 0 0 341.367 3.150 10 5 EGBERN CCc1cnccc1[C@H](C)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022754 459743781 /nfs/dbraw/zinc/74/37/81/459743781.db2.gz JSVJJFNRGIGNOZ-LBPRGKRZSA-N 0 0 343.383 3.190 10 5 EGBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000593038803 459750874 /nfs/dbraw/zinc/75/08/74/459750874.db2.gz KXLZCQRWYACYPQ-UHFFFAOYSA-N 0 0 346.362 3.138 10 5 EGBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593057043 459757853 /nfs/dbraw/zinc/75/78/53/459757853.db2.gz JLQNQUBBEIGNHF-BBATYDOGSA-N 0 0 328.343 3.326 10 5 EGBERN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000593061367 459760851 /nfs/dbraw/zinc/76/08/51/459760851.db2.gz JOPMADFMNGQZNU-LBPRGKRZSA-N 0 0 331.347 3.281 10 5 EGBERN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCO1 ZINC000596801491 459766181 /nfs/dbraw/zinc/76/61/81/459766181.db2.gz QQUVBKHNBKOONO-CABZTGNLSA-N 0 0 344.314 3.340 10 5 EGBERN O=C([C@@H]1CCCC2(CC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596814560 459769273 /nfs/dbraw/zinc/76/92/73/459769273.db2.gz VGNWXWQQWQZQKK-OAHLLOKOSA-N 0 0 343.427 3.214 10 5 EGBERN C[C@H]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000596824339 459771447 /nfs/dbraw/zinc/77/14/47/459771447.db2.gz VMRCADCRXLGDIU-GUYCJALGSA-N 0 0 347.415 3.226 10 5 EGBERN COc1ccc(NC(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000596833025 459773552 /nfs/dbraw/zinc/77/35/52/459773552.db2.gz UHHQFLAYMUUQFB-ZDUSSCGKSA-N 0 0 329.303 3.160 10 5 EGBERN C[C@H](NC(=O)[C@@H]1COC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596840886 459775480 /nfs/dbraw/zinc/77/54/80/459775480.db2.gz DWCLURHNLPDEFP-MORSLUCNSA-N 0 0 340.379 3.202 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000596837393 459775757 /nfs/dbraw/zinc/77/57/57/459775757.db2.gz UFJQUUBKNUDYMO-GUYCJALGSA-N 0 0 343.383 3.455 10 5 EGBERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000544721708 459780289 /nfs/dbraw/zinc/78/02/89/459780289.db2.gz NIYNBZKETWKIFU-ZIAGYGMSSA-N 0 0 340.445 3.231 10 5 EGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593134306 459784345 /nfs/dbraw/zinc/78/43/45/459784345.db2.gz KNPPDLUXIREZRP-SKDRFNHKSA-N 0 0 348.296 3.466 10 5 EGBERN C[C@@]1(F)CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000584706029 459787773 /nfs/dbraw/zinc/78/77/73/459787773.db2.gz NFXYNMBGYBIASD-QGZVFWFLSA-N 0 0 348.378 3.152 10 5 EGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccccn1 ZINC000596891874 459788840 /nfs/dbraw/zinc/78/88/40/459788840.db2.gz WLKUIIVMIVPOCQ-GFCCVEGCSA-N 0 0 344.371 3.314 10 5 EGBERN Cc1cn(C)nc1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899504 459790243 /nfs/dbraw/zinc/79/02/43/459790243.db2.gz JTWONEQCWCEXNZ-UHFFFAOYSA-N 0 0 331.376 3.000 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ccccn1 ZINC000596913561 459794467 /nfs/dbraw/zinc/79/44/67/459794467.db2.gz ZHNIUENFIBRYKR-LBPRGKRZSA-N 0 0 328.372 3.477 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000574290792 459803128 /nfs/dbraw/zinc/80/31/28/459803128.db2.gz RVYDOTQVFAYRGT-INIZCTEOSA-N 0 0 332.400 3.180 10 5 EGBERN Cc1ccc(NCCCNC(=O)Nc2cc(F)ccn2)c([N+](=O)[O-])c1 ZINC000597010328 459816641 /nfs/dbraw/zinc/81/66/41/459816641.db2.gz WFQKUKKGHGBSIU-UHFFFAOYSA-N 0 0 347.350 3.061 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000593295444 459832678 /nfs/dbraw/zinc/83/26/78/459832678.db2.gz LKTMNJDCHPXROZ-NSHDSACASA-N 0 0 346.305 3.255 10 5 EGBERN CCOC(=O)CC1(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000574571062 459835510 /nfs/dbraw/zinc/83/55/10/459835510.db2.gz RLAIWGWGMVBVRG-CYBMUJFWSA-N 0 0 348.399 3.081 10 5 EGBERN CCC(C)(C)OCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091260 459835602 /nfs/dbraw/zinc/83/56/02/459835602.db2.gz ZXEPVMQXPFQCHX-UHFFFAOYSA-N 0 0 344.799 3.157 10 5 EGBERN Nc1c(NC(=O)N2CCCC[C@@H]2C(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597092738 459836566 /nfs/dbraw/zinc/83/65/66/459836566.db2.gz RTBANTHYLLWVCD-SECBINFHSA-N 0 0 348.737 3.482 10 5 EGBERN CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103884 459837157 /nfs/dbraw/zinc/83/71/57/459837157.db2.gz LUZFSVQFAYJBAK-SCZZXKLOSA-N 0 0 326.784 3.483 10 5 EGBERN CCc1c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000585750312 459840319 /nfs/dbraw/zinc/84/03/19/459840319.db2.gz CJBYKVOXMWITJJ-UHFFFAOYSA-N 0 0 330.388 3.441 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000593329591 459846844 /nfs/dbraw/zinc/84/68/44/459846844.db2.gz YXUTYMUSIPEOSU-ZDUSSCGKSA-N 0 0 340.379 3.405 10 5 EGBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000598298211 459852925 /nfs/dbraw/zinc/85/29/25/459852925.db2.gz ZIPIIITXVDRCBR-JKSUJKDBSA-N 0 0 346.427 3.380 10 5 EGBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598307110 459858460 /nfs/dbraw/zinc/85/84/60/459858460.db2.gz KORILFVHTNVGKS-NWDGAFQWSA-N 0 0 332.381 3.259 10 5 EGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000593358450 459861131 /nfs/dbraw/zinc/86/11/31/459861131.db2.gz FWYHJZWJGWTKKZ-AWEZNQCLSA-N 0 0 336.388 3.096 10 5 EGBERN Cc1cc(Cc2noc(Cn3ncc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000545848829 459861374 /nfs/dbraw/zinc/86/13/74/459861374.db2.gz CVFAXLBVPOXVKZ-UHFFFAOYSA-N 0 0 349.350 3.275 10 5 EGBERN O=[N+]([O-])c1cc(F)c(CN2CC[C@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769528 459868538 /nfs/dbraw/zinc/86/85/38/459868538.db2.gz HYGLGEXZGPBRSW-CYBMUJFWSA-N 0 0 333.338 3.333 10 5 EGBERN CC[C@@H](NC(=O)N1CC[C@@]2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000593372166 459870042 /nfs/dbraw/zinc/87/00/42/459870042.db2.gz XNXIIYVQVCBKJZ-UKRRQHHQSA-N 0 0 339.342 3.487 10 5 EGBERN Cc1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)c(O)cc1Cl ZINC000598334826 459869980 /nfs/dbraw/zinc/86/99/80/459869980.db2.gz ZKVLXFBEHBLCJG-JTQLQIEISA-N 0 0 349.774 3.220 10 5 EGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586777889 459870403 /nfs/dbraw/zinc/87/04/03/459870403.db2.gz ZXWFFKSRRPKCRK-QPUJVOFHSA-N 0 0 338.713 3.400 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000598350021 459874735 /nfs/dbraw/zinc/87/47/35/459874735.db2.gz LITVMWPKYHWDAQ-CABCVRRESA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@H](O)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000598349083 459875384 /nfs/dbraw/zinc/87/53/84/459875384.db2.gz KUWGEFUZVFYRSS-CABCVRRESA-N 0 0 334.397 3.144 10 5 EGBERN CC(C)[C@H](O)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598353417 459876835 /nfs/dbraw/zinc/87/68/35/459876835.db2.gz SNDLFUIAHQWDCN-OALUTQOASA-N 0 0 342.395 3.012 10 5 EGBERN CC(C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000598381855 459884609 /nfs/dbraw/zinc/88/46/09/459884609.db2.gz QTLMPXAIDBNLCP-ZDUSSCGKSA-N 0 0 328.315 3.361 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000598392584 459886610 /nfs/dbraw/zinc/88/66/10/459886610.db2.gz HJWKWQLHNRXXRO-KBPBESRZSA-N 0 0 332.400 3.001 10 5 EGBERN COc1ccc(C)cc1[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587029571 459890721 /nfs/dbraw/zinc/89/07/21/459890721.db2.gz CZTQFKWMFXXASE-LLVKDONJSA-N 0 0 331.372 3.159 10 5 EGBERN Cc1cc(C)c(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587353165 459892071 /nfs/dbraw/zinc/89/20/71/459892071.db2.gz QXRXDHWDFFGDGD-UHFFFAOYSA-N 0 0 329.400 3.249 10 5 EGBERN CC[C@@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608909358 459893930 /nfs/dbraw/zinc/89/39/30/459893930.db2.gz YAAIFLTYHRXYBU-QGZVFWFLSA-N 0 0 330.384 3.251 10 5 EGBERN COc1ccccc1[C@@H]1CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587837790 459895437 /nfs/dbraw/zinc/89/54/37/459895437.db2.gz GTMVSJRKRPTYSH-INIZCTEOSA-N 0 0 343.383 3.019 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000593468706 459899004 /nfs/dbraw/zinc/89/90/04/459899004.db2.gz XDEJNJUOMVHTGG-KBPBESRZSA-N 0 0 327.384 3.396 10 5 EGBERN CC(C)(C)[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000593469253 459899440 /nfs/dbraw/zinc/89/94/40/459899440.db2.gz KKHDJGHHLIUXLN-WMLDXEAASA-N 0 0 329.400 3.376 10 5 EGBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000587994141 459899933 /nfs/dbraw/zinc/89/99/33/459899933.db2.gz YTVUOQGQTJKIME-LDLUMPKVSA-N 0 0 343.383 3.034 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000598464125 459903810 /nfs/dbraw/zinc/90/38/10/459903810.db2.gz GGDZXPDZKHCBCT-UHFFFAOYSA-N 0 0 325.315 3.487 10 5 EGBERN CC(C)(C)C(F)(F)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598465269 459903943 /nfs/dbraw/zinc/90/39/43/459903943.db2.gz KHNVOWWJRDPLMS-UHFFFAOYSA-N 0 0 332.372 3.485 10 5 EGBERN Nc1cc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588027486 459904638 /nfs/dbraw/zinc/90/46/38/459904638.db2.gz JZQTZGSFDKKGJN-GOEBONIOSA-N 0 0 341.411 3.493 10 5 EGBERN CCOc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])nc1C ZINC000598467041 459904777 /nfs/dbraw/zinc/90/47/77/459904777.db2.gz MFXVYDHEXXZLMH-UHFFFAOYSA-N 0 0 347.396 3.428 10 5 EGBERN Nc1cc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc(CO)c1[N+](=O)[O-] ZINC000588039313 459904997 /nfs/dbraw/zinc/90/49/97/459904997.db2.gz QLWXRUNQBLYLQS-DZGCQCFKSA-N 0 0 333.775 3.291 10 5 EGBERN CC[C@@H](OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000593489335 459905533 /nfs/dbraw/zinc/90/55/33/459905533.db2.gz QLMINCCDDTUHMV-QGZVFWFLSA-N 0 0 343.383 3.274 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000598468512 459905593 /nfs/dbraw/zinc/90/55/93/459905593.db2.gz FCDSFZKZSXFZFR-AWEZNQCLSA-N 0 0 325.368 3.100 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598498160 459919328 /nfs/dbraw/zinc/91/93/28/459919328.db2.gz YOGDDFPXBZQHPZ-UHFFFAOYSA-N 0 0 348.399 3.145 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000597348085 459924660 /nfs/dbraw/zinc/92/46/60/459924660.db2.gz DOCFCNZRZNHWNS-ZIAGYGMSSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000598506316 459924932 /nfs/dbraw/zinc/92/49/32/459924932.db2.gz DWPKTOUOFYMFGB-PWSUYJOCSA-N 0 0 346.305 3.085 10 5 EGBERN Cc1ccn([C@H](C)CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000597348083 459925371 /nfs/dbraw/zinc/92/53/71/459925371.db2.gz DOCFCNZRZNHWNS-KGLIPLIRSA-N 0 0 330.388 3.237 10 5 EGBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000598508936 459925675 /nfs/dbraw/zinc/92/56/75/459925675.db2.gz SBEVPDDRHOTDKZ-ZYHUDNBSSA-N 0 0 346.305 3.085 10 5 EGBERN CN(C[C@H]1CC1(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598549514 459934449 /nfs/dbraw/zinc/93/44/49/459934449.db2.gz CQDXGWFWDIGGQR-SNVBAGLBSA-N 0 0 328.315 3.314 10 5 EGBERN Cc1c(Br)cc(C(=O)N2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000598572572 459943275 /nfs/dbraw/zinc/94/32/75/459943275.db2.gz XEAFIDVMFCGGKE-UHFFFAOYSA-N 0 0 339.189 3.290 10 5 EGBERN C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCCO1 ZINC000597411119 459944507 /nfs/dbraw/zinc/94/45/07/459944507.db2.gz ULRFWIZTIXKQFQ-CXAGYDPISA-N 0 0 332.400 3.291 10 5 EGBERN C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCO1 ZINC000597411133 459944874 /nfs/dbraw/zinc/94/48/74/459944874.db2.gz ULRFWIZTIXKQFQ-GUYCJALGSA-N 0 0 332.400 3.291 10 5 EGBERN CO[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000597419603 459946746 /nfs/dbraw/zinc/94/67/46/459946746.db2.gz FBELFVNWMNPKFV-QGZVFWFLSA-N 0 0 332.400 3.291 10 5 EGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598579161 459949786 /nfs/dbraw/zinc/94/97/86/459949786.db2.gz XMAJIQDDQJSGHA-LBPRGKRZSA-N 0 0 326.352 3.411 10 5 EGBERN CNc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000598582659 459952009 /nfs/dbraw/zinc/95/20/09/459952009.db2.gz BVYDHCONXURGCM-UHFFFAOYSA-N 0 0 333.310 3.345 10 5 EGBERN COC(=O)c1ccnc(N[C@@H](C)c2ccc(OC)c(F)c2)c1[N+](=O)[O-] ZINC000598600417 459959367 /nfs/dbraw/zinc/95/93/67/459959367.db2.gz DSLHETZVTUXKGH-VIFPVBQESA-N 0 0 349.318 3.097 10 5 EGBERN COc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000593754156 459973789 /nfs/dbraw/zinc/97/37/89/459973789.db2.gz KRLRCIDPTFLNNT-UHFFFAOYSA-N 0 0 341.367 3.018 10 5 EGBERN Cc1c(Br)c(N2CC(CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000598644021 459974806 /nfs/dbraw/zinc/97/48/06/459974806.db2.gz ZWVBYNBRQPLHNV-UHFFFAOYSA-N 0 0 326.194 3.297 10 5 EGBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000593761683 459977946 /nfs/dbraw/zinc/97/79/46/459977946.db2.gz NLESPSYJYUOFBD-GOSISDBHSA-N 0 0 343.358 3.120 10 5 EGBERN O=C(NCC[C@H]1CC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598660646 459982526 /nfs/dbraw/zinc/98/25/26/459982526.db2.gz BPLFGTAHWMQZBA-LBPRGKRZSA-N 0 0 339.342 3.314 10 5 EGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000593792196 459987673 /nfs/dbraw/zinc/98/76/73/459987673.db2.gz KVFZJKNIGWMHPH-KRWDZBQOSA-N 0 0 343.383 3.011 10 5 EGBERN C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000588888045 459996572 /nfs/dbraw/zinc/99/65/72/459996572.db2.gz YFLQUGYTRZASAD-NSHDSACASA-N 0 0 330.388 3.106 10 5 EGBERN COc1ccccc1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588885240 459996651 /nfs/dbraw/zinc/99/66/51/459996651.db2.gz IKFMRSIUPLHUGX-UHFFFAOYSA-N 0 0 336.294 3.087 10 5 EGBERN Cc1csc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000618398542 459997787 /nfs/dbraw/zinc/99/77/87/459997787.db2.gz ZMWRSQTZYFAPPV-UHFFFAOYSA-N 0 0 339.804 3.294 10 5 EGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC[C@@H]1c1ccco1 ZINC000609728867 460011409 /nfs/dbraw/zinc/01/14/09/460011409.db2.gz BNMKWSHKSYBIBN-CYBMUJFWSA-N 0 0 342.307 3.148 10 5 EGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCc2ccccc2N1 ZINC000593916271 460017320 /nfs/dbraw/zinc/01/73/20/460017320.db2.gz OVWDVPQUQJWFBI-MRXNPFEDSA-N 0 0 339.395 3.071 10 5 EGBERN C[C@@H](NC(=O)C[C@H]1OCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593965824 460030927 /nfs/dbraw/zinc/03/09/27/460030927.db2.gz VYBKSFOSDTXEDG-SJKOYZFVSA-N 0 0 326.352 3.434 10 5 EGBERN CSc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cnn1C ZINC000589128415 460035206 /nfs/dbraw/zinc/03/52/06/460035206.db2.gz SMNVPFRGGKUMBN-UHFFFAOYSA-N 0 0 331.357 3.076 10 5 EGBERN CCOc1cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC ZINC000598803869 460041831 /nfs/dbraw/zinc/04/18/31/460041831.db2.gz QRJMGLPRDUGUHD-GDNZZTSVSA-N 0 0 334.372 3.377 10 5 EGBERN CCn1ncc(Cl)c1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000598806154 460042736 /nfs/dbraw/zinc/04/27/36/460042736.db2.gz QTSMNGHANHBIOZ-VIFPVBQESA-N 0 0 334.763 3.056 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598807256 460043572 /nfs/dbraw/zinc/04/35/72/460043572.db2.gz GHWPQMVOMINMNY-CYBMUJFWSA-N 0 0 338.335 3.040 10 5 EGBERN CSc1cccc(C(=O)N2CCCc3cccnc32)c1[N+](=O)[O-] ZINC000594068116 460084629 /nfs/dbraw/zinc/08/46/29/460084629.db2.gz ILTFHOVPYAWNIP-UHFFFAOYSA-N 0 0 329.381 3.305 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2cccnc21 ZINC000594072622 460086988 /nfs/dbraw/zinc/08/69/88/460086988.db2.gz VBPKFFROZJSCJD-LBPRGKRZSA-N 0 0 343.408 3.450 10 5 EGBERN Cc1cc(C)c(C(=O)NC2CCN(c3ccsc3[N+](=O)[O-])CC2)o1 ZINC000598913471 460091464 /nfs/dbraw/zinc/09/14/64/460091464.db2.gz QDYAXSBMMWDSPY-UHFFFAOYSA-N 0 0 349.412 3.265 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000589494280 460095178 /nfs/dbraw/zinc/09/51/78/460095178.db2.gz HNMRGLSVSAJMOP-INIZCTEOSA-N 0 0 329.356 3.047 10 5 EGBERN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000589505111 460097208 /nfs/dbraw/zinc/09/72/08/460097208.db2.gz RDYVEWMTWQIVCE-CYBMUJFWSA-N 0 0 349.412 3.387 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000589514082 460098631 /nfs/dbraw/zinc/09/86/31/460098631.db2.gz BKBJASCFUKXTEI-CABZTGNLSA-N 0 0 346.305 3.154 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514077 460099216 /nfs/dbraw/zinc/09/92/16/460099216.db2.gz BKBJASCFUKXTEI-BXKDBHETSA-N 0 0 346.305 3.154 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC(=O)Nc2cc(F)ccc21 ZINC000589517096 460099445 /nfs/dbraw/zinc/09/94/45/460099445.db2.gz VBYDKIVYSGZQOQ-UHFFFAOYSA-N 0 0 329.331 3.391 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CC=CCC1 ZINC000598967738 460108157 /nfs/dbraw/zinc/10/81/57/460108157.db2.gz UBNWIWSZKMZPEY-CYBMUJFWSA-N 0 0 333.388 3.149 10 5 EGBERN CC[C@@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597920604 460112628 /nfs/dbraw/zinc/11/26/28/460112628.db2.gz UVZQAFQEHHZZRJ-NSHDSACASA-N 0 0 326.780 3.183 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](COC)CC(C)(C)C ZINC000594138113 460121501 /nfs/dbraw/zinc/12/15/01/460121501.db2.gz NEMYYZROVXVYIO-LBPRGKRZSA-N 0 0 338.404 3.175 10 5 EGBERN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C ZINC000589648253 460123171 /nfs/dbraw/zinc/12/31/71/460123171.db2.gz RAFWHOZWNSQQCH-CYBMUJFWSA-N 0 0 329.404 3.498 10 5 EGBERN CCOc1ccc(C(=O)N[C@H](COC)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000594140346 460123325 /nfs/dbraw/zinc/12/33/25/460123325.db2.gz STANOCCCIQTHFR-ZDUSSCGKSA-N 0 0 338.404 3.175 10 5 EGBERN COC[C@H](CC(C)(C)C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000594142656 460124565 /nfs/dbraw/zinc/12/45/65/460124565.db2.gz YTOILIANLSPZJY-NSHDSACASA-N 0 0 340.445 3.498 10 5 EGBERN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000594171800 460136741 /nfs/dbraw/zinc/13/67/41/460136741.db2.gz BFWCHADOLYKOBX-DZGCQCFKSA-N 0 0 332.356 3.419 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(OC(C)(C)C)n1 ZINC000599043509 460138210 /nfs/dbraw/zinc/13/82/10/460138210.db2.gz SIXPBFURAFAFNP-UHFFFAOYSA-N 0 0 343.383 3.439 10 5 EGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594178995 460139059 /nfs/dbraw/zinc/13/90/59/460139059.db2.gz FQAPKMRRQZIKCS-KBPBESRZSA-N 0 0 326.780 3.326 10 5 EGBERN CCNc1ccc(C(=O)N[C@@H](CC)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594183171 460140310 /nfs/dbraw/zinc/14/03/10/460140310.db2.gz UENQFAPULPPKDD-XJKSGUPXSA-N 0 0 335.404 3.104 10 5 EGBERN C[C@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594212254 460154554 /nfs/dbraw/zinc/15/45/54/460154554.db2.gz LXMPCLRCMYGRCG-JCURWCKSSA-N 0 0 347.415 3.303 10 5 EGBERN C[C@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594212257 460154568 /nfs/dbraw/zinc/15/45/68/460154568.db2.gz LXMPCLRCMYGRCG-ZLIFDBKOSA-N 0 0 347.415 3.303 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(F)(c3ccccc3F)C2)c1 ZINC000589873009 460155664 /nfs/dbraw/zinc/15/56/64/460155664.db2.gz JXOUBVBRNVHGHH-UHFFFAOYSA-N 0 0 348.305 3.206 10 5 EGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000599084187 460156080 /nfs/dbraw/zinc/15/60/80/460156080.db2.gz PTVROSNIDLIBDQ-IAOVAPTHSA-N 0 0 342.782 3.450 10 5 EGBERN COc1cc(NC[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599115796 460164510 /nfs/dbraw/zinc/16/45/10/460164510.db2.gz DLUIHDIRZQOGTL-GFCCVEGCSA-N 0 0 330.266 3.015 10 5 EGBERN COc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000598099348 460173268 /nfs/dbraw/zinc/17/32/68/460173268.db2.gz CEJUWPADBYMWIW-XHDPSFHLSA-N 0 0 326.352 3.062 10 5 EGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594252921 460173420 /nfs/dbraw/zinc/17/34/20/460173420.db2.gz CIJYHJWATPZVOZ-SJORKVTESA-N 0 0 347.415 3.084 10 5 EGBERN CC[C@H](NC(=O)c1ccc(NC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000610525882 460174924 /nfs/dbraw/zinc/17/49/24/460174924.db2.gz DECOHPPUXOECCO-INIZCTEOSA-N 0 0 340.383 3.445 10 5 EGBERN CC[C@@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000610525826 460175286 /nfs/dbraw/zinc/17/52/86/460175286.db2.gz BPZGYPIBPLRZKP-CYBMUJFWSA-N 0 0 341.323 3.323 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C2CCc3ccccc3CC2)n1 ZINC000599151057 460179036 /nfs/dbraw/zinc/17/90/36/460179036.db2.gz JLXFUSRDMVMHAP-UHFFFAOYSA-N 0 0 339.355 3.041 10 5 EGBERN Cc1c(Br)c(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000599163343 460181729 /nfs/dbraw/zinc/18/17/29/460181729.db2.gz GLHBCMNJESQAIC-RUFUGSNLSA-N 0 0 344.209 3.285 10 5 EGBERN CC(C)(CNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)N1CCCC1 ZINC000599171019 460185164 /nfs/dbraw/zinc/18/51/64/460185164.db2.gz UVHMGDOPRMTASN-UHFFFAOYSA-N 0 0 342.399 3.204 10 5 EGBERN COc1cc(-c2nc(-c3coc(C4CC4)n3)no2)ccc1[N+](=O)[O-] ZINC000599193091 460195095 /nfs/dbraw/zinc/19/50/95/460195095.db2.gz VDDRGAHBXYNEQK-UHFFFAOYSA-N 0 0 328.284 3.186 10 5 EGBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594380908 460200989 /nfs/dbraw/zinc/20/09/89/460200989.db2.gz WDMLOJJJQJMPCU-UHFFFAOYSA-N 0 0 336.216 3.095 10 5 EGBERN Cc1cccc(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598199876 460202699 /nfs/dbraw/zinc/20/26/99/460202699.db2.gz KMHKLXFJSFOQMT-CTYIDZIISA-N 0 0 326.352 3.243 10 5 EGBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598209894 460205438 /nfs/dbraw/zinc/20/54/38/460205438.db2.gz VPLOMNRXEBXUJB-MDZLAQPJSA-N 0 0 341.367 3.015 10 5 EGBERN C[C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000598216018 460207317 /nfs/dbraw/zinc/20/73/17/460207317.db2.gz NJXZZBZTDPVRIL-GXSJLCMTSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)O1 ZINC000598216019 460207404 /nfs/dbraw/zinc/20/74/04/460207404.db2.gz NJXZZBZTDPVRIL-KOLCDFICSA-N 0 0 346.305 3.301 10 5 EGBERN C[C@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000598215118 460207770 /nfs/dbraw/zinc/20/77/70/460207770.db2.gz KBJKIBXHLFJLBW-LLVKDONJSA-N 0 0 349.131 3.132 10 5 EGBERN Cc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000598230903 460215754 /nfs/dbraw/zinc/21/57/54/460215754.db2.gz QJTPGULGVMOZQB-QGZVFWFLSA-N 0 0 344.342 3.256 10 5 EGBERN CC[C@@](C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000598249299 460221253 /nfs/dbraw/zinc/22/12/53/460221253.db2.gz HWOWDHQCVUKVML-QGZVFWFLSA-N 0 0 328.372 3.089 10 5 EGBERN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCCO1 ZINC000610718717 460225168 /nfs/dbraw/zinc/22/51/68/460225168.db2.gz BPXMVEOYWUZLTA-HNNXBMFYSA-N 0 0 345.399 3.401 10 5 EGBERN CC(C)C[C@H](C(=O)OC(C)(C)C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354004 460236237 /nfs/dbraw/zinc/23/62/37/460236237.db2.gz RRYWIFVIPANGLX-MRXNPFEDSA-N 0 0 349.431 3.104 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C3CCCC2CCC3)c1C ZINC000610800304 460239020 /nfs/dbraw/zinc/23/90/20/460239020.db2.gz BKTUDLSJUOXSAT-UHFFFAOYSA-N 0 0 338.429 3.307 10 5 EGBERN CC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC000599424055 460250243 /nfs/dbraw/zinc/25/02/43/460250243.db2.gz ITDMXUQBFDOCDB-UHFFFAOYSA-N 0 0 342.342 3.305 10 5 EGBERN COC(=O)c1ccc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448908 460256215 /nfs/dbraw/zinc/25/62/15/460256215.db2.gz CZZTUFCKNKVNSA-CYBMUJFWSA-N 0 0 343.383 3.278 10 5 EGBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000599543218 460271094 /nfs/dbraw/zinc/27/10/94/460271094.db2.gz NDPMMCGMMPGVLF-AWEZNQCLSA-N 0 0 331.416 3.402 10 5 EGBERN CC1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000599638037 460294931 /nfs/dbraw/zinc/29/49/31/460294931.db2.gz LHXCCSGEFLODOI-UHFFFAOYSA-N 0 0 327.178 3.277 10 5 EGBERN COC(=O)[C@@](C)(NCCCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000599655721 460299868 /nfs/dbraw/zinc/29/98/68/460299868.db2.gz WQBUPSVZDBKYCT-KRWDZBQOSA-N 0 0 348.424 3.267 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599691953 460312751 /nfs/dbraw/zinc/31/27/51/460312751.db2.gz ICNAVVHYMLNNEJ-NEPJUHHUSA-N 0 0 337.401 3.105 10 5 EGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000603512884 460314984 /nfs/dbraw/zinc/31/49/84/460314984.db2.gz UIBVBZRWCKOKJH-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN O=C(c1ocnc1C(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599709761 460318089 /nfs/dbraw/zinc/31/80/89/460318089.db2.gz XNYMYPLOGPUOJJ-UHFFFAOYSA-N 0 0 337.282 3.325 10 5 EGBERN O=C(CC(C1CCC1)C1CCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599741913 460324757 /nfs/dbraw/zinc/32/47/57/460324757.db2.gz FZTZOTGHACYPEH-UHFFFAOYSA-N 0 0 343.427 3.481 10 5 EGBERN O=C(c1cc2c(cc1O)CCCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000611281260 460328408 /nfs/dbraw/zinc/32/84/08/460328408.db2.gz OAUWGKHHPMBWJY-UHFFFAOYSA-N 0 0 338.363 3.382 10 5 EGBERN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599770598 460330631 /nfs/dbraw/zinc/33/06/31/460330631.db2.gz ORXYVZHYBCQBKL-NWDGAFQWSA-N 0 0 333.369 3.343 10 5 EGBERN C[C@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599801854 460336763 /nfs/dbraw/zinc/33/67/63/460336763.db2.gz YJOICEIYDOISQP-ZETCQYMHSA-N 0 0 348.737 3.482 10 5 EGBERN CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830331 460342853 /nfs/dbraw/zinc/34/28/53/460342853.db2.gz QSVXPLIIEFLGEK-LBPRGKRZSA-N 0 0 344.371 3.033 10 5 EGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CCOCC1 ZINC000599831607 460344006 /nfs/dbraw/zinc/34/40/06/460344006.db2.gz PQFRDNRTQZNMOY-LLVKDONJSA-N 0 0 344.371 3.080 10 5 EGBERN C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1(F)F ZINC000599835048 460344825 /nfs/dbraw/zinc/34/48/25/460344825.db2.gz SNLMHXKYHIWYCY-CQSZACIVSA-N 0 0 336.298 3.310 10 5 EGBERN CCN(C[C@H](C)OC)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835813 460345420 /nfs/dbraw/zinc/34/54/20/460345420.db2.gz OQHQFQOHESFPNK-NSHDSACASA-N 0 0 332.360 3.032 10 5 EGBERN CC[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599840308 460346129 /nfs/dbraw/zinc/34/61/29/460346129.db2.gz ROFXYEHNNQNPPX-RYUDHWBXSA-N 0 0 344.371 3.222 10 5 EGBERN CS[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599840864 460346903 /nfs/dbraw/zinc/34/69/03/460346903.db2.gz UTUVSPNAANOBIO-SNVBAGLBSA-N 0 0 332.385 3.112 10 5 EGBERN O=C(CCC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619437893 460356119 /nfs/dbraw/zinc/35/61/19/460356119.db2.gz FDPWFFODFKMUCW-UHFFFAOYSA-N 0 0 328.315 3.010 10 5 EGBERN CCN1C[C@H](CN(C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933566 460360760 /nfs/dbraw/zinc/36/07/60/460360760.db2.gz QIOPKSUJLMUBCF-AWEZNQCLSA-N 0 0 347.440 3.376 10 5 EGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccnc(C)n1 ZINC000619460328 460362099 /nfs/dbraw/zinc/36/20/99/460362099.db2.gz JHNFTMLUPCZCBB-UHFFFAOYSA-N 0 0 338.161 3.343 10 5 EGBERN C[C@@H]1CCCN(c2ccc(C(=O)N3CC=CCC3)cc2[N+](=O)[O-])C1 ZINC000611513185 460383206 /nfs/dbraw/zinc/38/32/06/460383206.db2.gz NVVVBXHJPHWMTN-CQSZACIVSA-N 0 0 329.400 3.233 10 5 EGBERN COC(=O)c1ccc(CNc2sccc2[N+](=O)[O-])nc1C1CC1 ZINC000611539744 460392098 /nfs/dbraw/zinc/39/20/98/460392098.db2.gz VKEZWFJBRIHIBX-UHFFFAOYSA-N 0 0 333.369 3.327 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000611615523 460413837 /nfs/dbraw/zinc/41/38/37/460413837.db2.gz PSVXCZGGAWKBIC-UHFFFAOYSA-N 0 0 330.363 3.072 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3ccccn3)CC2)n1 ZINC000611615814 460414309 /nfs/dbraw/zinc/41/43/09/460414309.db2.gz GPOOUUWZMZJHQG-UHFFFAOYSA-N 0 0 327.388 3.083 10 5 EGBERN COC(=O)CCN(Cc1ccccc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611617190 460414775 /nfs/dbraw/zinc/41/47/75/460414775.db2.gz NQARUELGIZQBFY-UHFFFAOYSA-N 0 0 343.383 3.176 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C(C)C)C2)n1 ZINC000611616460 460415088 /nfs/dbraw/zinc/41/50/88/460415088.db2.gz QZQYWOXZKZMJBE-CQSZACIVSA-N 0 0 344.419 3.163 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n1 ZINC000611617423 460415172 /nfs/dbraw/zinc/41/51/72/460415172.db2.gz QDXNWERMIUUQJQ-LSDHHAIUSA-N 0 0 331.347 3.058 10 5 EGBERN Cc1nn(CCC(=O)NCC(C2CCC2)C2CCC2)c(C)c1[N+](=O)[O-] ZINC000600163883 460415404 /nfs/dbraw/zinc/41/54/04/460415404.db2.gz CDHVREDZHFONJB-UHFFFAOYSA-N 0 0 348.447 3.131 10 5 EGBERN C[C@H]1Cc2ccccc2N1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000619694560 460416114 /nfs/dbraw/zinc/41/61/14/460416114.db2.gz RMXVOJMQKJRRFI-LBPRGKRZSA-N 0 0 344.440 3.471 10 5 EGBERN O=C(NC[C@H]1Cc2ccccc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611635011 460420407 /nfs/dbraw/zinc/42/04/07/460420407.db2.gz DPTCOQZQJKOAGQ-GFCCVEGCSA-N 0 0 348.305 3.266 10 5 EGBERN CC[C@@H](NC(=O)N1CC(C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000619733733 460424992 /nfs/dbraw/zinc/42/49/92/460424992.db2.gz BATNJXSKFVKITK-QGZVFWFLSA-N 0 0 347.415 3.114 10 5 EGBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)C1(F)F ZINC000600185320 460425777 /nfs/dbraw/zinc/42/57/77/460425777.db2.gz KSTAOFNAOPRQSI-DTORHVGOSA-N 0 0 348.296 3.165 10 5 EGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C2CCCCC2)c1 ZINC000600194141 460432024 /nfs/dbraw/zinc/43/20/24/460432024.db2.gz APPJFKGZLCZKFN-UHFFFAOYSA-N 0 0 328.372 3.478 10 5 EGBERN C[C@H](Cc1ccc(O)cc1)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705787 460434148 /nfs/dbraw/zinc/43/41/48/460434148.db2.gz BNJRPLLZXWHQJZ-GFCCVEGCSA-N 0 0 338.367 3.311 10 5 EGBERN CCOc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1F ZINC000611705466 460434237 /nfs/dbraw/zinc/43/42/37/460434237.db2.gz FNSJSFDYIPRSAI-UHFFFAOYSA-N 0 0 342.330 3.110 10 5 EGBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000600207726 460440386 /nfs/dbraw/zinc/44/03/86/460440386.db2.gz LWMRAHUDMVGWKR-HOTGVXAUSA-N 0 0 325.368 3.099 10 5 EGBERN COC[C@@]1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600212815 460443588 /nfs/dbraw/zinc/44/35/88/460443588.db2.gz IAGIFAQQMJSSIT-GOSISDBHSA-N 0 0 346.383 3.092 10 5 EGBERN Cc1cn2c(n1)CN(c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)CC2 ZINC000611764383 460455695 /nfs/dbraw/zinc/45/56/95/460455695.db2.gz QDQOLUAZUNHHDJ-UHFFFAOYSA-N 0 0 330.388 3.297 10 5 EGBERN CCC(NC(=O)CCOc1ccccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000600245345 460456462 /nfs/dbraw/zinc/45/64/62/460456462.db2.gz ITLQJBNOCYBXJR-UHFFFAOYSA-N 0 0 332.400 3.449 10 5 EGBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272576 460462263 /nfs/dbraw/zinc/46/22/63/460462263.db2.gz YMXRSQXHVSRUKL-MNOVXSKESA-N 0 0 331.397 3.186 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600275368 460463493 /nfs/dbraw/zinc/46/34/93/460463493.db2.gz AZJWYGOPPHKDIA-CVEARBPZSA-N 0 0 349.456 3.283 10 5 EGBERN O=C(NCC[C@H]1CC=CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600392570 460488773 /nfs/dbraw/zinc/48/87/73/460488773.db2.gz HVJRSMDECNKWQD-AWEZNQCLSA-N 0 0 340.383 3.257 10 5 EGBERN O=C(N[C@@H]1C[C@H]1c1ccsc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600444557 460496763 /nfs/dbraw/zinc/49/67/63/460496763.db2.gz IFFRLXFWJXGCQV-CAOSSQGBSA-N 0 0 328.393 3.432 10 5 EGBERN CC1(C)C[C@@H](S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CO1 ZINC000600570641 460527651 /nfs/dbraw/zinc/52/76/51/460527651.db2.gz QHCSVMOGAHPZEQ-ZIAGYGMSSA-N 0 0 336.413 3.001 10 5 EGBERN CC1(C)C[C@H](S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CO1 ZINC000600570635 460528142 /nfs/dbraw/zinc/52/81/42/460528142.db2.gz QHCSVMOGAHPZEQ-KBPBESRZSA-N 0 0 336.413 3.001 10 5 EGBERN CCn1nc(C)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000600606842 460543780 /nfs/dbraw/zinc/54/37/80/460543780.db2.gz SZJXJGISPSZXQR-UHFFFAOYSA-N 0 0 334.351 3.175 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000601162364 460735874 /nfs/dbraw/zinc/73/58/74/460735874.db2.gz MGZSVTMXSSCLOI-LBPRGKRZSA-N 0 0 345.378 3.046 10 5 EGBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(N2CCc3ccccc32)CC1 ZINC000601162392 460736170 /nfs/dbraw/zinc/73/61/70/460736170.db2.gz MPMVKGGOQZRUND-UHFFFAOYSA-N 0 0 342.374 3.160 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(c2ccco2)CC1 ZINC000601192488 460747423 /nfs/dbraw/zinc/74/74/23/460747423.db2.gz WXLLEDOWRQNMCF-UHFFFAOYSA-N 0 0 344.293 3.324 10 5 EGBERN COC(=O)C(C)(C)CSc1ncc([N+](=O)[O-])cc1Br ZINC000601212624 460751976 /nfs/dbraw/zinc/75/19/76/460751976.db2.gz LUAYQYXEDLHWID-UHFFFAOYSA-N 0 0 349.206 3.044 10 5 EGBERN Nc1c(F)c(N2CCC(Cc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000601215901 460753689 /nfs/dbraw/zinc/75/36/89/460753689.db2.gz HKGDOQSDZMHSNA-UHFFFAOYSA-N 0 0 336.392 3.232 10 5 EGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1C(F)(F)F ZINC000601230695 460759129 /nfs/dbraw/zinc/75/91/29/460759129.db2.gz DUMDUEZIYQWGLA-LLVKDONJSA-N 0 0 340.248 3.474 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cccc(F)c1F ZINC000601239377 460762789 /nfs/dbraw/zinc/76/27/89/460762789.db2.gz KWYDIXGCTTYGII-UHFFFAOYSA-N 0 0 336.220 3.237 10 5 EGBERN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000601243977 460763483 /nfs/dbraw/zinc/76/34/83/460763483.db2.gz JLSMXXGKLYTWAT-GOSISDBHSA-N 0 0 327.384 3.469 10 5 EGBERN Cc1cc(N2CC[C@@H](c3ccc4cccnc4n3)C2)ncc1[N+](=O)[O-] ZINC000601256318 460767446 /nfs/dbraw/zinc/76/74/46/460767446.db2.gz OLTYEPYTUKZRIY-CQSZACIVSA-N 0 0 335.367 3.235 10 5 EGBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000601438594 460812101 /nfs/dbraw/zinc/81/21/01/460812101.db2.gz CENBLXUWILXVIG-OAHLLOKOSA-N 0 0 336.363 3.155 10 5 EGBERN CO[C@]1(C)CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601540210 460826825 /nfs/dbraw/zinc/82/68/25/460826825.db2.gz FJDCWWDKQDORTH-QGZVFWFLSA-N 0 0 332.400 3.044 10 5 EGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@H]2CCCO2)no1 ZINC000613169634 460850018 /nfs/dbraw/zinc/85/00/18/460850018.db2.gz GYGSYMGLRRFYCJ-UKRRQHHQSA-N 0 0 331.372 3.436 10 5 EGBERN COc1c(C(=O)N2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000601656299 460859073 /nfs/dbraw/zinc/85/90/73/460859073.db2.gz HCPLWLQRWYLNLO-AWEZNQCLSA-N 0 0 341.367 3.018 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601659067 460860312 /nfs/dbraw/zinc/86/03/12/460860312.db2.gz UMNCNBLMLNFLFL-CQSZACIVSA-N 0 0 341.367 3.018 10 5 EGBERN C[C@]1(C2CC2)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601665100 460863216 /nfs/dbraw/zinc/86/32/16/460863216.db2.gz CYGQUXDZLSALJG-GOSISDBHSA-N 0 0 344.411 3.044 10 5 EGBERN COc1c(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000601699640 460875840 /nfs/dbraw/zinc/87/58/40/460875840.db2.gz PPXZLQRUEVNWCJ-HNNXBMFYSA-N 0 0 330.340 3.420 10 5 EGBERN CNc1c(C(=O)N2CC(Cc3ccccc3C)C2)cccc1[N+](=O)[O-] ZINC000613234705 460877167 /nfs/dbraw/zinc/87/71/67/460877167.db2.gz FOBIRHIWPNAPBS-UHFFFAOYSA-N 0 0 339.395 3.260 10 5 EGBERN CNc1c(C(=O)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000613235930 460878543 /nfs/dbraw/zinc/87/85/43/460878543.db2.gz UDESDGFJLMMNOV-UHFFFAOYSA-N 0 0 340.383 3.051 10 5 EGBERN CCc1[nH]nc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000601715077 460881521 /nfs/dbraw/zinc/88/15/21/460881521.db2.gz NCDMGFOSUWZXPJ-LLVKDONJSA-N 0 0 328.372 3.326 10 5 EGBERN C[C@@](CO)(NC(=O)C1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601781425 460896303 /nfs/dbraw/zinc/89/63/03/460896303.db2.gz WCXWRAMNOMIJJA-SFHVURJKSA-N 0 0 334.416 3.135 10 5 EGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601878188 460933636 /nfs/dbraw/zinc/93/36/36/460933636.db2.gz URCOKSPXEDSOGH-WBVHZDCISA-N 0 0 348.399 3.071 10 5 EGBERN C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000610774034 469069329 /nfs/dbraw/zinc/06/93/29/469069329.db2.gz UCSJYDJJLZKHEK-LBPRGKRZSA-N 0 0 337.339 3.048 10 5 EGBERN COC(=O)c1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000160299222 533894622 /nfs/dbraw/zinc/89/46/22/533894622.db2.gz OEAFBTQYODYFDF-IUODEOHRSA-N 0 0 334.372 3.059 10 5 EGBERN CC(=O)c1csc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000106614784 517370331 /nfs/dbraw/zinc/37/03/31/517370331.db2.gz VVJJPKONBSVKPR-SECBINFHSA-N 0 0 330.365 3.450 10 5 EGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H]3COc4ccccc4O3)ccc2c1 ZINC000301108827 518203140 /nfs/dbraw/zinc/20/31/40/518203140.db2.gz XEDJKDDSDIURNB-CQSZACIVSA-N 0 0 337.335 3.395 10 5 EGBERN CCn1c(C)cc(C(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000338365989 535962998 /nfs/dbraw/zinc/96/29/98/535962998.db2.gz VVBXMRYKFKPZOR-UHFFFAOYSA-N 0 0 343.427 3.390 10 5 EGBERN COc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377262 537102119 /nfs/dbraw/zinc/10/21/19/537102119.db2.gz NZSKXVPNHYUTKC-GFCCVEGCSA-N 0 0 326.352 3.124 10 5 EGBERN COc1ncccc1-c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000356234246 537148669 /nfs/dbraw/zinc/14/86/69/537148669.db2.gz CNQPCRUMXAOPOS-UHFFFAOYSA-N 0 0 337.295 3.197 10 5 EGBERN O=C(NC/C=C/c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171992937 546997184 /nfs/dbraw/zinc/99/71/84/546997184.db2.gz VTLMZOBGJFUSKI-QPJJXVBHSA-N 0 0 348.362 3.224 10 5 EGBERN O=C(NCC1CCC(F)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000592722209 548104158 /nfs/dbraw/zinc/10/41/58/548104158.db2.gz NRXMHBFZNCJWBE-UHFFFAOYSA-N 0 0 346.362 3.039 10 5 EGBERN O=C(OCc1ccoc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000727043464 574636188 /nfs/dbraw/zinc/63/61/88/574636188.db2.gz ZHSZSMFANHTYFQ-UHFFFAOYSA-N 0 0 345.229 3.486 10 5 EGBERN Cc1cc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000727901446 574700449 /nfs/dbraw/zinc/70/04/49/574700449.db2.gz WGYKWQHPZXRHHI-SNVBAGLBSA-N 0 0 345.311 3.312 10 5 EGBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000728503395 574755240 /nfs/dbraw/zinc/75/52/40/574755240.db2.gz VAGXUUPDXFKCIW-GJZGRUSLSA-N 0 0 335.360 3.448 10 5 EGBERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000728503396 574755320 /nfs/dbraw/zinc/75/53/20/574755320.db2.gz VAGXUUPDXFKCIW-HUUCEWRRSA-N 0 0 335.360 3.448 10 5 EGBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1coc(Br)c1 ZINC000728992993 574792325 /nfs/dbraw/zinc/79/23/25/574792325.db2.gz ZSLKMACKIMORKF-UHFFFAOYSA-N 0 0 344.092 3.446 10 5 EGBERN COC(=O)c1cc(F)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000728999361 574796518 /nfs/dbraw/zinc/79/65/18/574796518.db2.gz BQGJZPCFJWUQSE-UHFFFAOYSA-N 0 0 347.298 3.186 10 5 EGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1cccc(O)c1 ZINC000729118391 574815945 /nfs/dbraw/zinc/81/59/45/574815945.db2.gz ADYKGBVIFVUSDV-UHFFFAOYSA-N 0 0 345.351 3.374 10 5 EGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000730015866 574904029 /nfs/dbraw/zinc/90/40/29/574904029.db2.gz YDIVZYWGZRDJBC-JTQLQIEISA-N 0 0 331.284 3.124 10 5 EGBERN O=C(OCc1noc2c1CCCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000731245543 575062678 /nfs/dbraw/zinc/06/26/78/575062678.db2.gz JTSHRZBVJMAMNV-UHFFFAOYSA-N 0 0 341.323 3.300 10 5 EGBERN CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000733189542 575318852 /nfs/dbraw/zinc/31/88/52/575318852.db2.gz QJHPUQKKCLSVFJ-LBPRGKRZSA-N 0 0 336.392 3.191 10 5 EGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(N2CCOC2=O)cc1 ZINC000735487358 575668481 /nfs/dbraw/zinc/66/84/81/575668481.db2.gz VGWLXMWQSVUXMI-LLVKDONJSA-N 0 0 328.328 3.120 10 5 EGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000735832071 575720661 /nfs/dbraw/zinc/72/06/61/575720661.db2.gz DGJCQDWJKKSTFB-MRXNPFEDSA-N 0 0 345.786 3.490 10 5 EGBERN CC[C@@H](C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000756418265 576114372 /nfs/dbraw/zinc/11/43/72/576114372.db2.gz LFSVZFJWOJENQF-MRVPVSSYSA-N 0 0 344.161 3.129 10 5 EGBERN Cc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000741922393 576733998 /nfs/dbraw/zinc/73/39/98/576733998.db2.gz CONBZGGWUJRSLM-UHFFFAOYSA-N 0 0 327.127 3.252 10 5 EGBERN Cc1ccc(CC[C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)o1 ZINC000743718195 576815201 /nfs/dbraw/zinc/81/52/01/576815201.db2.gz KQMCFZHOIREPEV-LLVKDONJSA-N 0 0 331.372 3.138 10 5 EGBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCCc1ccc(C(F)(F)F)cc1 ZINC000744215271 576823350 /nfs/dbraw/zinc/82/33/50/576823350.db2.gz LZMQAYPTSQHBFC-UHFFFAOYSA-N 0 0 342.273 3.352 10 5 EGBERN COc1cccc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000744327142 576825616 /nfs/dbraw/zinc/82/56/16/576825616.db2.gz CVXKFKLZJIDLHZ-GFCCVEGCSA-N 0 0 331.324 3.287 10 5 EGBERN Cc1noc(-c2ccccc2C(=O)OCc2csc([N+](=O)[O-])c2)n1 ZINC000745258252 576844454 /nfs/dbraw/zinc/84/44/54/576844454.db2.gz HFDUCPNXEKUIEO-UHFFFAOYSA-N 0 0 345.336 3.372 10 5 EGBERN O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(F)cc1 ZINC000034690567 1291391407 /nfs/dbraw/zinc/39/14/07/1291391407.db2.gz NFIFOIYVXKGVEY-WTKPLQERSA-N 0 0 329.283 3.173 10 5 EGBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccccc1F ZINC000096911677 1292954749 /nfs/dbraw/zinc/95/47/49/1292954749.db2.gz KGHSFPFRJUNOSB-WAYWQWQTSA-N 0 0 344.298 3.252 10 5 EGBERN COC(=O)c1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1C ZINC000096839903 1292955539 /nfs/dbraw/zinc/95/55/39/1292955539.db2.gz CTRXJQGJQPSQKN-KTKRTIGZSA-N 0 0 340.335 3.342 10 5 EGBERN C[C@@]1(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000177257891 1294662026 /nfs/dbraw/zinc/66/20/26/1294662026.db2.gz WSFDMQZEDFKGCI-INIZCTEOSA-N 0 0 348.380 3.444 10 5 EGBERN C[C@H](OC(=O)c1cccn(C(C)(C)C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000869976136 1295570776 /nfs/dbraw/zinc/57/07/76/1295570776.db2.gz HYKLMFMQSLMQDU-LBPRGKRZSA-N 0 0 344.367 3.430 10 5 EGBERN CC(C)(C)n1cccc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c1=O ZINC000869978705 1295572265 /nfs/dbraw/zinc/57/22/65/1295572265.db2.gz PJGBBUNJUAQWJX-UHFFFAOYSA-N 0 0 348.330 3.008 10 5 EGBERN CC(C)(C)n1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c1=O ZINC000869978300 1295572275 /nfs/dbraw/zinc/57/22/75/1295572275.db2.gz VDKUAONXBMEHOM-UHFFFAOYSA-N 0 0 348.330 3.008 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000869999135 1295585260 /nfs/dbraw/zinc/58/52/60/1295585260.db2.gz CMFFVRJYZMYMBF-YIONKMFJSA-N 0 0 331.368 3.424 10 5 EGBERN C[C@H](c1ccccc1F)[C@@H](O)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000870073753 1295626303 /nfs/dbraw/zinc/62/63/03/1295626303.db2.gz HYJCWGYCNWDIPG-YMTOWFKASA-N 0 0 339.344 3.003 10 5 EGBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(Cc2nccs2)CC1 ZINC000870267671 1295775357 /nfs/dbraw/zinc/77/53/57/1295775357.db2.gz WKYMCJXSQSHUSM-UHFFFAOYSA-N 0 0 349.387 3.285 10 5 EGBERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000870723411 1296044036 /nfs/dbraw/zinc/04/40/36/1296044036.db2.gz AYUBLUFFUJUYLY-GXSJLCMTSA-N 0 0 346.305 3.253 10 5 EGBERN Cc1cc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)n1C(C)C ZINC000870826472 1296104862 /nfs/dbraw/zinc/10/48/62/1296104862.db2.gz CNHSXWUQXIWPCL-UHFFFAOYSA-N 0 0 346.387 3.351 10 5 EGBERN CCc1ccc([C@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829440 1296106321 /nfs/dbraw/zinc/10/63/21/1296106321.db2.gz LFRSNCUMBIQXMC-VWDMACCTSA-N 0 0 343.383 3.404 10 5 EGBERN CCc1ccc(F)cc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870830468 1296108044 /nfs/dbraw/zinc/10/80/44/1296108044.db2.gz DAIZFTCSIQWVGP-UHFFFAOYSA-N 0 0 333.319 3.053 10 5 EGBERN O=C(NCC[C@@H]1CCCS1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000871024055 1296182672 /nfs/dbraw/zinc/18/26/72/1296182672.db2.gz LGIUJWTWSPRWNT-ZDUSSCGKSA-N 0 0 335.429 3.185 10 5 EGBERN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000871165550 1296253985 /nfs/dbraw/zinc/25/39/85/1296253985.db2.gz AJZWTRBTRDIXGE-AWEZNQCLSA-N 0 0 340.807 3.255 10 5 EGBERN CC(C)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000871168931 1296256178 /nfs/dbraw/zinc/25/61/78/1296256178.db2.gz JUQDGZYDWRTTDQ-CYBMUJFWSA-N 0 0 342.342 3.151 10 5 EGBERN O=C(Nc1ccnn1CC1CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000871193793 1296265460 /nfs/dbraw/zinc/26/54/60/1296265460.db2.gz ZUBFFOJNMIZXFM-UHFFFAOYSA-N 0 0 334.763 3.497 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871337903 1296360705 /nfs/dbraw/zinc/36/07/05/1296360705.db2.gz UTKUZYQQTVJZDC-OAHLLOKOSA-N 0 0 348.399 3.167 10 5 EGBERN O=C(NC[C@@H]1CCC12CCOCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000871577695 1296438468 /nfs/dbraw/zinc/43/84/68/1296438468.db2.gz AOTNEGULXPQGBC-LBPRGKRZSA-N 0 0 343.383 3.013 10 5 EGBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1scnc1Cl ZINC000871649401 1296468438 /nfs/dbraw/zinc/46/84/38/1296468438.db2.gz GZAQUFVPNMLJIR-UHFFFAOYSA-N 0 0 337.586 3.020 10 5 EGBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000871756626 1296520429 /nfs/dbraw/zinc/52/04/29/1296520429.db2.gz XWXNJGFXGAAXGI-BXKDBHETSA-N 0 0 347.293 3.168 10 5 EGBERN COc1ccc(CCO)cc1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000871791476 1296535080 /nfs/dbraw/zinc/53/50/80/1296535080.db2.gz PMINVZBDQUMVAM-UHFFFAOYSA-N 0 0 337.759 3.371 10 5 EGBERN Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000871920895 1296612512 /nfs/dbraw/zinc/61/25/12/1296612512.db2.gz KHFPXVPVQWKWJJ-GOSISDBHSA-N 0 0 339.395 3.013 10 5 EGBERN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043643 1296692124 /nfs/dbraw/zinc/69/21/24/1296692124.db2.gz JPVIGRIPTNHAEQ-IUODEOHRSA-N 0 0 343.358 3.190 10 5 EGBERN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043408 1296692823 /nfs/dbraw/zinc/69/28/23/1296692823.db2.gz HWBQNRGBKATXIG-TZMCWYRMSA-N 0 0 349.406 3.176 10 5 EGBERN C[C@H](NCc1c(C(F)(F)F)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086558 1296725581 /nfs/dbraw/zinc/72/55/81/1296725581.db2.gz AAAWNEKHETWIDD-QMMMGPOBSA-N 0 0 346.284 3.337 10 5 EGBERN O=C(N[C@]12CCC[C@H]1OCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000872269289 1296874142 /nfs/dbraw/zinc/87/41/42/1296874142.db2.gz PKCVQWBRPFADEN-ZBFHGGJFSA-N 0 0 332.381 3.251 10 5 EGBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCCc2cccnc21 ZINC000872292497 1296901229 /nfs/dbraw/zinc/90/12/29/1296901229.db2.gz XMMNDDLHOOECHO-UHFFFAOYSA-N 0 0 343.408 3.451 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000872753236 1297091941 /nfs/dbraw/zinc/09/19/41/1297091941.db2.gz KAQNVBFKRRSOIE-OTYXRUKQSA-N 0 0 346.305 3.344 10 5 EGBERN C[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000874473156 1297907707 /nfs/dbraw/zinc/90/77/07/1297907707.db2.gz AYAUXMRPTCHLHP-GZBFAFLISA-N 0 0 342.317 3.499 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000875746571 1298460016 /nfs/dbraw/zinc/46/00/16/1298460016.db2.gz IFRXQPKCTXFTJT-ZIAGYGMSSA-N 0 0 348.399 3.464 10 5 EGBERN COc1cnc(F)c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000876021029 1298556601 /nfs/dbraw/zinc/55/66/01/1298556601.db2.gz FGIUYGLKCIFPCA-UHFFFAOYSA-N 0 0 333.319 3.054 10 5 EGBERN Cn1cc(CNc2cc(F)ccc2OCC(F)(F)F)c([N+](=O)[O-])n1 ZINC000876840054 1299027122 /nfs/dbraw/zinc/02/71/22/1299027122.db2.gz HNSZEMLHRSIYMP-UHFFFAOYSA-N 0 0 348.256 3.021 10 5 EGBERN O=C(N[C@@H]1CCC[C@]12CCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000882613608 1302034870 /nfs/dbraw/zinc/03/48/70/1302034870.db2.gz HYAYKSLEHIFXGW-AEFFLSMTSA-N 0 0 345.399 3.001 10 5 EGBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000884656801 1302940314 /nfs/dbraw/zinc/94/03/14/1302940314.db2.gz VCBDEZNOCOMKNO-GWCFXTLKSA-N 0 0 332.326 3.288 10 5 EGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000888723125 1304251341 /nfs/dbraw/zinc/25/13/41/1304251341.db2.gz ARPSCROUMLLSHD-HVUGFKLRSA-N 0 0 330.384 3.072 10 5 EGBERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000888796035 1304277700 /nfs/dbraw/zinc/27/77/00/1304277700.db2.gz BAGKXRKEVKTOBS-VHDGCEQUSA-N 0 0 334.441 3.489 10 5 EGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]23C[C@H]2COC32CCC2)c1 ZINC000890183003 1304697266 /nfs/dbraw/zinc/69/72/66/1304697266.db2.gz AVNXSQDOZGCMMK-MEDUHNTESA-N 0 0 348.424 3.006 10 5 EGBERN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(=O)C[C@H]1C1CC1 ZINC000891811628 1305175728 /nfs/dbraw/zinc/17/57/28/1305175728.db2.gz YKJTWUAVWWBLMK-SFHVURJKSA-N 0 0 338.363 3.332 10 5 EGBERN CC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893862142 1306103199 /nfs/dbraw/zinc/10/31/99/1306103199.db2.gz BHBFUFVFAZOURM-BXUZGUMPSA-N 0 0 338.429 3.252 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000893910197 1306125518 /nfs/dbraw/zinc/12/55/18/1306125518.db2.gz YEBSPNCCVRXQNX-AWEZNQCLSA-N 0 0 332.400 3.352 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000894401032 1308856567 /nfs/dbraw/zinc/85/65/67/1308856567.db2.gz HAFBVIDEIKBDOF-AWEZNQCLSA-N 0 0 332.400 3.209 10 5 EGBERN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000894909812 1309124425 /nfs/dbraw/zinc/12/44/25/1309124425.db2.gz RALRVXITSTXSIA-AWEZNQCLSA-N 0 0 336.388 3.083 10 5 EGBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(Nc2ccccn2)CC1 ZINC000895347200 1309291346 /nfs/dbraw/zinc/29/13/46/1309291346.db2.gz QVEFCLIRQZXQNR-UHFFFAOYSA-N 0 0 340.383 3.273 10 5 EGBERN CC(=O)c1ccc(NC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC000895446979 1309340358 /nfs/dbraw/zinc/34/03/58/1309340358.db2.gz VKUAIXSBPIEEGC-ZWNOBZJWSA-N 0 0 332.278 3.319 10 5 EGBERN CC(C)(CCc1noc([C@@]2(c3ccccc3)C[C@H](F)C2)n1)[N+](=O)[O-] ZINC000896313918 1309799897 /nfs/dbraw/zinc/79/98/97/1309799897.db2.gz AAFXTBQLDZOVQW-WJYNOGRTSA-N 0 0 333.363 3.476 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C2CCOCC2)C1 ZINC000896588933 1309925574 /nfs/dbraw/zinc/92/55/74/1309925574.db2.gz IUMCCDKWKUEHRW-HNNXBMFYSA-N 0 0 332.400 3.440 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H](NC1CC1)C(F)(F)F ZINC000897229949 1310231767 /nfs/dbraw/zinc/23/17/67/1310231767.db2.gz ZJLCTBSIWKVAIM-AWEZNQCLSA-N 0 0 345.321 3.282 10 5 EGBERN C[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@@H]1F ZINC000897331947 1310295195 /nfs/dbraw/zinc/29/51/95/1310295195.db2.gz XJMHKMZATGHSHL-YGRLFVJLSA-N 0 0 331.347 3.150 10 5 EGBERN COC(=O)C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000897541105 1310370712 /nfs/dbraw/zinc/37/07/12/1310370712.db2.gz KHVUGKBCRRXABE-BDAKNGLRSA-N 0 0 347.293 3.152 10 5 EGBERN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(Cl)n1 ZINC000898075230 1310580400 /nfs/dbraw/zinc/58/04/00/1310580400.db2.gz MUTBJSHJRSOTLV-UHFFFAOYSA-N 0 0 333.775 3.498 10 5 EGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC1(Cl)Cl ZINC000857688920 1328584867 /nfs/dbraw/zinc/58/48/67/1328584867.db2.gz RMWQSYFAZOLVKG-GQOHGMTASA-N 0 0 329.183 3.308 10 5 EGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000857741549 1328594273 /nfs/dbraw/zinc/59/42/73/1328594273.db2.gz GZKZWVQANQVAPU-CYBMUJFWSA-N 0 0 327.331 3.121 10 5 EGBERN O=c1c(Br)cn(C[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000857761133 1328594939 /nfs/dbraw/zinc/59/49/39/1328594939.db2.gz YDEVJTNBGUABIF-VQXHTEKXSA-N 0 0 341.205 3.345 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(N2CCc3nccc(Br)c3C2)n1 ZINC000857898964 1328618960 /nfs/dbraw/zinc/61/89/60/1328618960.db2.gz QJWQVQHYVZGGRX-UHFFFAOYSA-N 0 0 349.188 3.018 10 5 EGBERN CC[C@@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000857939616 1328635398 /nfs/dbraw/zinc/63/53/98/1328635398.db2.gz PQPNOWOJKCWXEY-SWLSCSKDSA-N 0 0 342.399 3.255 10 5 EGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000857968565 1328643774 /nfs/dbraw/zinc/64/37/74/1328643774.db2.gz NBHSUGHRQWDWAX-NSHDSACASA-N 0 0 331.759 3.103 10 5 EGBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899404284 1317021147 /nfs/dbraw/zinc/02/11/47/1317021147.db2.gz KUOQAVIYXBEAES-FIXIBIHLSA-N 0 0 327.384 3.027 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000899520404 1317070422 /nfs/dbraw/zinc/07/04/22/1317070422.db2.gz VRSRDKIVGGFXON-AWEZNQCLSA-N 0 0 340.383 3.021 10 5 EGBERN Cc1nnsc1[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748388 1328686723 /nfs/dbraw/zinc/68/67/23/1328686723.db2.gz JDEWSBCAJBQYKS-GFCCVEGCSA-N 0 0 348.428 3.359 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858209303 1328712109 /nfs/dbraw/zinc/71/21/09/1328712109.db2.gz IAEZNASPXVSGHX-GFCCVEGCSA-N 0 0 348.712 3.338 10 5 EGBERN O=[N+]([O-])CCN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000930085197 1328781243 /nfs/dbraw/zinc/78/12/43/1328781243.db2.gz APWDRZPSFHAWLM-CQSZACIVSA-N 0 0 336.436 3.039 10 5 EGBERN Cc1cc(CN(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000930086213 1328781741 /nfs/dbraw/zinc/78/17/41/1328781741.db2.gz FZAHYOGMXROZLX-UHFFFAOYSA-N 0 0 337.763 3.136 10 5 EGBERN CCCc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)no1 ZINC000913385632 1319020056 /nfs/dbraw/zinc/02/00/56/1319020056.db2.gz GDAVOHQADIKURT-UHFFFAOYSA-N 0 0 341.726 3.258 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC000913385690 1319020600 /nfs/dbraw/zinc/02/06/00/1319020600.db2.gz BAQJZIIUSOHXSB-UHFFFAOYSA-N 0 0 336.697 3.439 10 5 EGBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000913386128 1319020989 /nfs/dbraw/zinc/02/09/89/1319020989.db2.gz OSFUSEOLDOMUCO-HBNTYKKESA-N 0 0 326.755 3.440 10 5 EGBERN CC1(C)CO[C@H](CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386924 1319021109 /nfs/dbraw/zinc/02/11/09/1319021109.db2.gz KQFOVABIOQVDNQ-SNVBAGLBSA-N 0 0 344.770 3.209 10 5 EGBERN C[C@H](Cc1ccco1)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385844 1319021165 /nfs/dbraw/zinc/02/11/65/1319021165.db2.gz LXLXOCPDKKYNLF-SECBINFHSA-N 0 0 340.738 3.475 10 5 EGBERN CO[C@H]1CCC[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386419 1319021273 /nfs/dbraw/zinc/02/12/73/1319021273.db2.gz UKWBAVQRCACZFR-QWRGUYRKSA-N 0 0 344.770 3.209 10 5 EGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913588486 1319065360 /nfs/dbraw/zinc/06/53/60/1319065360.db2.gz JNWKCHUWZLPDJJ-JTQLQIEISA-N 0 0 346.412 3.189 10 5 EGBERN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000913640727 1319084521 /nfs/dbraw/zinc/08/45/21/1319084521.db2.gz MWMDJYITDIQUMN-UHFFFAOYSA-N 0 0 338.360 3.385 10 5 EGBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000858651605 1328817313 /nfs/dbraw/zinc/81/73/13/1328817313.db2.gz PUSSTVUZUWCRPS-GRYCIOLGSA-N 0 0 335.360 3.152 10 5 EGBERN CC(C)(C)OC[C@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000914325679 1319295974 /nfs/dbraw/zinc/29/59/74/1319295974.db2.gz QCYFIJLQROXPKJ-MRXNPFEDSA-N 0 0 349.431 3.126 10 5 EGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](n1cccn1)C(F)(F)F ZINC000858655582 1328820214 /nfs/dbraw/zinc/82/02/14/1328820214.db2.gz HHHFQXRBMPHERF-ZDUSSCGKSA-N 0 0 342.277 3.209 10 5 EGBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1c(C(F)(F)F)cnn1C ZINC000858657990 1328820919 /nfs/dbraw/zinc/82/09/19/1328820919.db2.gz DLXKIWDZGQJQMA-UHFFFAOYSA-N 0 0 342.277 3.162 10 5 EGBERN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000914474955 1319333038 /nfs/dbraw/zinc/33/30/38/1319333038.db2.gz ZOBWWVXMGCCYLD-UHFFFAOYSA-N 0 0 329.312 3.478 10 5 EGBERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000915129493 1319430416 /nfs/dbraw/zinc/43/04/16/1319430416.db2.gz JUUXUPVRBGLVKM-MEDUHNTESA-N 0 0 340.335 3.409 10 5 EGBERN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H]3CCC4(CCC4)CO3)n2)cc1 ZINC000916841035 1319711972 /nfs/dbraw/zinc/71/19/72/1319711972.db2.gz AFBIOLUGTXAXME-HNNXBMFYSA-N 0 0 328.372 3.203 10 5 EGBERN O=[N+]([O-])c1cc(Br)ccc1SCCO[C@@H]1CCOC1 ZINC000917162690 1319764349 /nfs/dbraw/zinc/76/43/49/1319764349.db2.gz BBRZKKRNDNNVPV-SNVBAGLBSA-N 0 0 348.218 3.255 10 5 EGBERN C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)CN1C(=O)OC(C)(C)C ZINC000858779857 1328858125 /nfs/dbraw/zinc/85/81/25/1328858125.db2.gz DTIYFJNORIDOHQ-UWVGGRQHSA-N 0 0 342.421 3.251 10 5 EGBERN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccns1 ZINC000858830131 1328870303 /nfs/dbraw/zinc/87/03/03/1328870303.db2.gz QIZFZHLGUNBPAB-SECBINFHSA-N 0 0 332.385 3.117 10 5 EGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000858873727 1328880893 /nfs/dbraw/zinc/88/08/93/1328880893.db2.gz BLPZLTPUTCKQBU-UHFFFAOYSA-N 0 0 337.344 3.375 10 5 EGBERN Cc1cc(NC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000930732190 1328951800 /nfs/dbraw/zinc/95/18/00/1328951800.db2.gz BQFIPZAHVZZRNA-ZYHUDNBSSA-N 0 0 347.293 3.135 10 5 EGBERN O=C(Cc1coc2cc(O)ccc12)OCc1csc([N+](=O)[O-])c1 ZINC000918827203 1322000744 /nfs/dbraw/zinc/00/07/44/1322000744.db2.gz SFTSFPCOHMEQKW-UHFFFAOYSA-N 0 0 333.321 3.394 10 5 EGBERN CCC/C=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919106445 1322028092 /nfs/dbraw/zinc/02/80/92/1322028092.db2.gz XZOWJYUZGCMBKG-SNAWJCMRSA-N 0 0 327.178 3.330 10 5 EGBERN CO[C@H](COc1cc(Cl)c([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000920243527 1322153902 /nfs/dbraw/zinc/15/39/02/1322153902.db2.gz IABADHSJBTXDET-AMIZOPFISA-N 0 0 336.171 3.332 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3C[C@H]4CCC[C@H]4O3)n2)c1 ZINC000920417414 1322175159 /nfs/dbraw/zinc/17/51/59/1322175159.db2.gz OFGKTLUSMGDULN-DDTOSNHZSA-N 0 0 348.790 3.464 10 5 EGBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)n2)c1 ZINC000920417413 1322175216 /nfs/dbraw/zinc/17/52/16/1322175216.db2.gz OFGKTLUSMGDULN-BPNCWPANSA-N 0 0 348.790 3.464 10 5 EGBERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000921807991 1322401445 /nfs/dbraw/zinc/40/14/45/1322401445.db2.gz WVHUTQUOYBFSQU-ATZCPNFKSA-N 0 0 331.294 3.153 10 5 EGBERN CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000922143596 1322465817 /nfs/dbraw/zinc/46/58/17/1322465817.db2.gz YLWJBWMKVXMYDJ-GXFFZTMASA-N 0 0 326.780 3.183 10 5 EGBERN CCc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)oc1CC ZINC000859596665 1329030382 /nfs/dbraw/zinc/03/03/82/1329030382.db2.gz CFKBNIQWKDCDTN-UHFFFAOYSA-N 0 0 349.314 3.491 10 5 EGBERN COc1cc(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000922402781 1322520536 /nfs/dbraw/zinc/52/05/36/1322520536.db2.gz PDVRPDPITMHGCV-GUDFOSOFSA-N 0 0 327.283 3.052 10 5 EGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922403846 1322520601 /nfs/dbraw/zinc/52/06/01/1322520601.db2.gz VGRVBGVLIMFXFB-JQWIXIFHSA-N 0 0 333.262 3.170 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922648109 1322579188 /nfs/dbraw/zinc/57/91/88/1322579188.db2.gz WBKAOBUUADLMPH-ZSPDNNCOSA-N 0 0 327.283 3.052 10 5 EGBERN O=C(COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000923595972 1322779523 /nfs/dbraw/zinc/77/95/23/1322779523.db2.gz YMZHROKEXQWJNE-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN CC(C)C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)n1ccnc1 ZINC000923761770 1322804785 /nfs/dbraw/zinc/80/47/85/1322804785.db2.gz SNZMYEGMTVVQPY-CQSZACIVSA-N 0 0 327.344 3.477 10 5 EGBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])OC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000923962450 1322857095 /nfs/dbraw/zinc/85/70/95/1322857095.db2.gz NMBJIISDTMDWIW-NOLJZWGESA-N 0 0 337.347 3.167 10 5 EGBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCC(=O)C1CCC1 ZINC000923966270 1322858706 /nfs/dbraw/zinc/85/87/06/1322858706.db2.gz FRVBDEGFKLFICB-UHFFFAOYSA-N 0 0 325.748 3.093 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C[C@H]1CC=CCC1 ZINC000924239290 1322948350 /nfs/dbraw/zinc/94/83/50/1322948350.db2.gz KEYYHSDKCJHOBI-ZDUSSCGKSA-N 0 0 332.356 3.131 10 5 EGBERN CCC(C)(C)[C@H](O)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000859766214 1329072988 /nfs/dbraw/zinc/07/29/88/1329072988.db2.gz QAQOCZZHTVROOT-CQSZACIVSA-N 0 0 348.355 3.090 10 5 EGBERN CC(C)[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859810875 1329082994 /nfs/dbraw/zinc/08/29/94/1329082994.db2.gz WMXSKDNFJKHIIM-LBPRGKRZSA-N 0 0 344.367 3.066 10 5 EGBERN COC(=O)CCCCOC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811317 1329083358 /nfs/dbraw/zinc/08/33/58/1329083358.db2.gz LVFBHNZFNYOVDO-UHFFFAOYSA-N 0 0 331.324 3.248 10 5 EGBERN C[C@H]1CC2(CC(NC(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)CO1 ZINC000931297872 1329088497 /nfs/dbraw/zinc/08/84/97/1329088497.db2.gz QXZMHMYOOFMSJX-YLTRJXTNSA-N 0 0 339.779 3.327 10 5 EGBERN COC(=O)[C@@](C)(NCCSC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000859945165 1329115986 /nfs/dbraw/zinc/11/59/86/1329115986.db2.gz MNBLQHPOWCJDOZ-INIZCTEOSA-N 0 0 340.445 3.104 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Br)OCC(F)(F)F ZINC000931532095 1329136513 /nfs/dbraw/zinc/13/65/13/1329136513.db2.gz BCQWOHWEHTULOA-UHFFFAOYSA-N 0 0 343.099 3.283 10 5 EGBERN CCC[C@H](CCO)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860107250 1329148771 /nfs/dbraw/zinc/14/87/71/1329148771.db2.gz DFVCQOIWEFWOHB-CYBMUJFWSA-N 0 0 330.384 3.277 10 5 EGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000931610766 1329153450 /nfs/dbraw/zinc/15/34/50/1329153450.db2.gz QTSCJQZXFFASJS-NHYWBVRUSA-N 0 0 337.351 3.061 10 5 EGBERN C[C@H](OC(=O)[C@@H]1CCCC12CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000860178179 1329167407 /nfs/dbraw/zinc/16/74/07/1329167407.db2.gz HIQRYPRKDSEUHQ-FZMZJTMJSA-N 0 0 332.356 3.045 10 5 EGBERN O=C(NCC[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860584248 1329333144 /nfs/dbraw/zinc/33/31/44/1329333144.db2.gz ICDBMSLQSNXGPN-SNVBAGLBSA-N 0 0 327.768 3.186 10 5 EGBERN CC(C)C[C@@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860934746 1329370983 /nfs/dbraw/zinc/37/09/83/1329370983.db2.gz HFBVPGPENAERRC-HNNXBMFYSA-N 0 0 330.384 3.227 10 5 EGBERN CC(C)C(=O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000926879439 1327753089 /nfs/dbraw/zinc/75/30/89/1327753089.db2.gz OZCQIYILVSBQDY-SFHVURJKSA-N 0 0 340.379 3.220 10 5 EGBERN C[C@H](NCc1cc(C(F)(F)F)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000926927887 1327780613 /nfs/dbraw/zinc/78/06/13/1327780613.db2.gz VVGKTYIDSWNTSQ-QMMMGPOBSA-N 0 0 346.284 3.337 10 5 EGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(C)nnc1C ZINC000861062074 1329383935 /nfs/dbraw/zinc/38/39/35/1329383935.db2.gz XQSHAXWKENJPDA-HNNXBMFYSA-N 0 0 343.383 3.314 10 5 EGBERN C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCS1 ZINC000927247140 1327930601 /nfs/dbraw/zinc/93/06/01/1327930601.db2.gz MOBMVVBVWMTGMX-JSGCOSHPSA-N 0 0 337.445 3.063 10 5 EGBERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000861277349 1329404237 /nfs/dbraw/zinc/40/42/37/1329404237.db2.gz HYIGXDNHBSYXPP-KRWDZBQOSA-N 0 0 340.379 3.258 10 5 EGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC000928274142 1328270661 /nfs/dbraw/zinc/27/06/61/1328270661.db2.gz UAZSAXCYQCOFDW-CYBMUJFWSA-N 0 0 345.424 3.455 10 5 EGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928281521 1328275691 /nfs/dbraw/zinc/27/56/91/1328275691.db2.gz ZGWLPLJBQYVWDL-JTQLQIEISA-N 0 0 337.426 3.208 10 5 EGBERN O=C(/C=C/[C@@H]1CCCO1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861446182 1329418757 /nfs/dbraw/zinc/41/87/57/1329418757.db2.gz SMTXQROECKDUDF-FCSZMHKNSA-N 0 0 345.273 3.477 10 5 EGBERN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000861445803 1329418869 /nfs/dbraw/zinc/41/88/69/1329418869.db2.gz NXNOOODAETWSCL-FDYHWXHSSA-N 0 0 345.273 3.166 10 5 EGBERN COC/C(C)=C\C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445912 1329418944 /nfs/dbraw/zinc/41/89/44/1329418944.db2.gz PSDBORRTTBHOBP-JWJUJFCLSA-N 0 0 333.262 3.334 10 5 EGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000929094880 1328504107 /nfs/dbraw/zinc/50/41/07/1328504107.db2.gz FNQMJJFRHHTEMY-CLYYMRHHSA-N 0 0 337.401 3.152 10 5 EGBERN Cc1ccc(NC(=O)N2CCS[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000929118564 1328509073 /nfs/dbraw/zinc/50/90/73/1328509073.db2.gz PRTUJNWMYFTEGS-NSHDSACASA-N 0 0 349.334 3.415 10 5 EGBERN Cc1ccc(NC(=O)NC2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC000929118548 1328509644 /nfs/dbraw/zinc/50/96/44/1328509644.db2.gz QZQYSYIZTJVIKK-UHFFFAOYSA-N 0 0 333.388 3.372 10 5 EGBERN COC1(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000861832735 1329444030 /nfs/dbraw/zinc/44/40/30/1329444030.db2.gz XGCHYAIOIKWUEG-UHFFFAOYSA-N 0 0 328.368 3.437 10 5 EGBERN O=C(N[C@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862005135 1329454983 /nfs/dbraw/zinc/45/49/83/1329454983.db2.gz UCVFXDUYVRQOPC-JSGCOSHPSA-N 0 0 328.368 3.029 10 5 EGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(=O)CC(C)(C)C2)c1F ZINC000862771414 1329507717 /nfs/dbraw/zinc/50/77/17/1329507717.db2.gz XJIBDKGXDYWHHY-UHFFFAOYSA-N 0 0 340.326 3.013 10 5 EGBERN O=[N+]([O-])c1cnn(CCSCc2c(Cl)cncc2Cl)c1 ZINC000865289055 1329683471 /nfs/dbraw/zinc/68/34/71/1329683471.db2.gz XRGFKYMFFCJWLL-UHFFFAOYSA-N 0 0 333.200 3.427 10 5 EGBERN O=[N+]([O-])c1cc(OC[C@H]2CC3(CO2)CCOCC3)ccc1Cl ZINC000865367299 1329689500 /nfs/dbraw/zinc/68/95/00/1329689500.db2.gz APIYWKFJYFVAHQ-GFCCVEGCSA-N 0 0 327.764 3.213 10 5 EGBERN O=[N+]([O-])c1c(F)c(F)c(OCc2nc(CC3CC3)no2)c(F)c1F ZINC000865371335 1329689649 /nfs/dbraw/zinc/68/96/49/1329689649.db2.gz AEPNXQZZAWXGOT-UHFFFAOYSA-N 0 0 347.224 3.066 10 5 EGBERN CCn1nc(C)c(CN(C)c2cc(OC)cc(F)c2[N+](=O)[O-])c1C ZINC000865993087 1329757385 /nfs/dbraw/zinc/75/73/85/1329757385.db2.gz UBESBRQUMJNTNL-UHFFFAOYSA-N 0 0 336.367 3.212 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000866011440 1329758789 /nfs/dbraw/zinc/75/87/89/1329758789.db2.gz PAIGFBYZCLFGET-UHFFFAOYSA-N 0 0 335.751 3.470 10 5 EGBERN Nc1ccc(N2CCC(Oc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000866018722 1329759434 /nfs/dbraw/zinc/75/94/34/1329759434.db2.gz RBEICMKJOTUDIA-UHFFFAOYSA-N 0 0 331.347 3.364 10 5 EGBERN CC(C)(C)OC1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000866050266 1330059441 /nfs/dbraw/zinc/05/94/41/1330059441.db2.gz YGQPWRYOSHJIQN-UHFFFAOYSA-N 0 0 333.392 3.176 10 5 EGBERN Nc1c(F)c(N2CCC[C@@H]2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051438 1330059676 /nfs/dbraw/zinc/05/96/76/1330059676.db2.gz FCCOIWXQWKHNLR-RHSMWYFYSA-N 0 0 331.347 3.019 10 5 EGBERN Nc1c(F)c(N2CCC[C@H]2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000866051441 1330059739 /nfs/dbraw/zinc/05/97/39/1330059739.db2.gz FCCOIWXQWKHNLR-YOEHRIQHSA-N 0 0 331.347 3.019 10 5 EGBERN O=[N+]([O-])c1cc(F)ccc1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157101 1330071403 /nfs/dbraw/zinc/07/14/03/1330071403.db2.gz GDIIXZLFUZLGOJ-CQSZACIVSA-N 0 0 328.347 3.118 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157434 1330071700 /nfs/dbraw/zinc/07/17/00/1330071700.db2.gz TTXDTCRRJJLIBR-CYBMUJFWSA-N 0 0 345.790 3.027 10 5 EGBERN COc1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(OC)c3)CCO2)cc1 ZINC000866236539 1330082572 /nfs/dbraw/zinc/08/25/72/1330082572.db2.gz YXGVKBXFFNGDOB-SFHVURJKSA-N 0 0 344.367 3.190 10 5 EGBERN C[C@@]1(c2ccccc2)CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866484105 1330117892 /nfs/dbraw/zinc/11/78/92/1330117892.db2.gz QROGTZGNWDQRBW-LJQANCHMSA-N 0 0 342.370 3.467 10 5 EGBERN O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000866617967 1330133769 /nfs/dbraw/zinc/13/37/69/1330133769.db2.gz SIJFXYWQKMYEPP-ZETCQYMHSA-N 0 0 341.719 3.002 10 5 EGBERN C[C@H](NC(=O)N1CC[C@@H]2CSC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000868122820 1330251773 /nfs/dbraw/zinc/25/17/73/1330251773.db2.gz RHVXDFVLZADMSU-IACUBPJLSA-N 0 0 335.429 3.050 10 5 EGBERN Cc1ccc(CNC(=O)NC[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000868716334 1330322539 /nfs/dbraw/zinc/32/25/39/1330322539.db2.gz YGFLDPYSWWGTNZ-CQSZACIVSA-N 0 0 349.456 3.236 10 5 EGBERN CC[C@@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000868755016 1330333208 /nfs/dbraw/zinc/33/32/08/1330333208.db2.gz RKYHNIJAPISNST-ZBFHGGJFSA-N 0 0 335.404 3.050 10 5 EGBERN Cc1cc(C)c(COC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000869314119 1330459821 /nfs/dbraw/zinc/45/98/21/1330459821.db2.gz LPQBZNLWWIQNNR-UHFFFAOYSA-N 0 0 330.340 3.037 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000869352320 1330470420 /nfs/dbraw/zinc/47/04/20/1330470420.db2.gz DWLFOZGEANRMND-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000869362697 1330473524 /nfs/dbraw/zinc/47/35/24/1330473524.db2.gz NFNPVIDWFKSREK-ZDUSSCGKSA-N 0 0 339.319 3.011 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1coc(C2CC2)n1 ZINC000869498816 1330511558 /nfs/dbraw/zinc/51/15/58/1330511558.db2.gz ROFABIPYUDZVOS-UHFFFAOYSA-N 0 0 336.731 3.400 10 5 EGBERN CSc1cccc(C(=O)NCC[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000869600030 1330530789 /nfs/dbraw/zinc/53/07/89/1330530789.db2.gz ATMUPZBVAZVALH-SNVBAGLBSA-N 0 0 326.443 3.190 10 5 EGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCSC1 ZINC000869611723 1330532845 /nfs/dbraw/zinc/53/28/45/1330532845.db2.gz FKMHCICTPRRLBC-CYBMUJFWSA-N 0 0 337.445 3.046 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000869702913 1330548797 /nfs/dbraw/zinc/54/87/97/1330548797.db2.gz XXHWCDODIYNECF-GUYCJALGSA-N 0 0 333.340 3.005 10 5 EGBERN COc1ccc(COC(=O)C(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000869714567 1330551494 /nfs/dbraw/zinc/55/14/94/1330551494.db2.gz CMHGJIGWRXMOGW-HNNXBMFYSA-N 0 0 337.372 3.242 10 5 EGBERN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccco1 ZINC000869787399 1330564139 /nfs/dbraw/zinc/56/41/39/1330564139.db2.gz IFSIZNGPFZVOOM-INIZCTEOSA-N 0 0 348.330 3.315 10 5 EGBERN Cc1ccncc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810432 1330568603 /nfs/dbraw/zinc/56/86/03/1330568603.db2.gz HDKMHUIBHPDPGW-UHFFFAOYSA-N 0 0 326.352 3.463 10 5 EGBERN O=C(OCC[C@H]1CCCC1=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811001 1330569096 /nfs/dbraw/zinc/56/90/96/1330569096.db2.gz MOTCGRKHGCRBHK-CYBMUJFWSA-N 0 0 331.368 3.319 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)nc2C1 ZINC000869855224 1330577361 /nfs/dbraw/zinc/57/73/61/1330577361.db2.gz CHFMMDUTGQHVJT-SNVBAGLBSA-N 0 0 349.774 3.384 10 5 EGBERN C[C@@H]1CCn2cc(C(=O)OCc3cc(Cl)ccc3[N+](=O)[O-])nc2C1 ZINC000869856838 1330577389 /nfs/dbraw/zinc/57/73/89/1330577389.db2.gz QANCNJRBUOXXSM-SNVBAGLBSA-N 0 0 349.774 3.384 10 5 EGBERN CCN1C[C@H](CN(C)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC001184673239 1387506734 /nfs/dbraw/zinc/50/67/34/1387506734.db2.gz KUYAGVGVEALWPF-INIZCTEOSA-N 0 0 327.384 3.319 10 5 EGBERN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCCN(c2ccccc2)C1 ZINC001185414612 1387709919 /nfs/dbraw/zinc/70/99/19/1387709919.db2.gz TZMTYTRNPAOUOO-LBPRGKRZSA-N 0 0 332.791 3.146 10 5 EGBERN COC(=O)Cc1ccc(N2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC001185499152 1387732331 /nfs/dbraw/zinc/73/23/31/1387732331.db2.gz ZVWNUIBNLLMNMH-UHFFFAOYSA-N 0 0 332.400 3.471 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC001324685509 1387735784 /nfs/dbraw/zinc/73/57/84/1387735784.db2.gz JDXYEKJCOCVGSL-IAQYHMDHSA-N 0 0 340.807 3.429 10 5 EGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001185685677 1387778670 /nfs/dbraw/zinc/77/86/70/1387778670.db2.gz RFTRYRGCTBFIHI-DZGCQCFKSA-N 0 0 339.823 3.304 10 5 EGBERN COC(=O)[C@H]1CCCC[C@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190273319 1367214859 /nfs/dbraw/zinc/21/48/59/1367214859.db2.gz HEWOJGQETRPWFZ-HOCLYGCPSA-N 0 0 343.383 3.438 10 5 EGBERN C[C@H](N[C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135113 1368752224 /nfs/dbraw/zinc/75/22/24/1368752224.db2.gz GSSKYMVENXFEBN-MEDUHNTESA-N 0 0 349.337 3.361 10 5 EGBERN Cc1nc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])sc1C ZINC001325394765 1387959428 /nfs/dbraw/zinc/95/94/28/1387959428.db2.gz MJZHOVLYERMXJL-UHFFFAOYSA-N 0 0 333.413 3.262 10 5 EGBERN Cn1cc([N+](=O)[O-])c(N2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC001186550431 1387969889 /nfs/dbraw/zinc/96/98/89/1387969889.db2.gz LXPQFYFPXSOZJL-GFCCVEGCSA-N 0 0 338.820 3.353 10 5 EGBERN O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001198828264 1369123674 /nfs/dbraw/zinc/12/36/74/1369123674.db2.gz LAMGGNTWDGTWII-GOSISDBHSA-N 0 0 334.416 3.399 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](OC)C23CCC3)cc1C ZINC001186669936 1387996954 /nfs/dbraw/zinc/99/69/54/1387996954.db2.gz QELOQNYPEWGPDJ-HZPDHXFCSA-N 0 0 348.399 3.449 10 5 EGBERN Cc1nc(N[C@@H](Cc2ccccc2)c2nccn2C)ccc1[N+](=O)[O-] ZINC001186905433 1388026423 /nfs/dbraw/zinc/02/64/23/1388026423.db2.gz FWWALRZLFNEMJT-HNNXBMFYSA-N 0 0 337.383 3.428 10 5 EGBERN COC(=O)/C=C/c1ccc(NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])c1 ZINC001187124077 1388056451 /nfs/dbraw/zinc/05/64/51/1388056451.db2.gz VPAMPOKWWWDNBJ-VUDGCMKMSA-N 0 0 340.326 3.484 10 5 EGBERN Cc1cc(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001187340397 1388096674 /nfs/dbraw/zinc/09/66/74/1388096674.db2.gz DLDFYSUFBGQDOV-TXEJJXNPSA-N 0 0 336.392 3.013 10 5 EGBERN Cn1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c2cc(F)ccc21 ZINC001116901028 1370997486 /nfs/dbraw/zinc/99/74/86/1370997486.db2.gz YZKKMBLGPBJDQM-UHFFFAOYSA-N 0 0 339.326 3.382 10 5 EGBERN O=C1C[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1CC1CC1 ZINC001187437324 1388107981 /nfs/dbraw/zinc/10/79/81/1388107981.db2.gz GHHDBOASAJAFJZ-SECBINFHSA-N 0 0 344.198 3.324 10 5 EGBERN Cn1cc([N+](=O)[O-])c(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)n1 ZINC001118129514 1371135070 /nfs/dbraw/zinc/13/50/70/1371135070.db2.gz ZJIJSIRZNAHATI-UHFFFAOYSA-N 0 0 343.387 3.137 10 5 EGBERN CO[C@@H]1CC[C@@H](C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001118479447 1371187543 /nfs/dbraw/zinc/18/75/43/1371187543.db2.gz MFLHVQZEJHAVBZ-IUODEOHRSA-N 0 0 346.339 3.108 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1COCC2 ZINC001118785489 1371227213 /nfs/dbraw/zinc/22/72/13/1371227213.db2.gz JTTOYHCRNPFODA-UHFFFAOYSA-N 0 0 326.352 3.482 10 5 EGBERN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC001119047154 1371269194 /nfs/dbraw/zinc/26/91/94/1371269194.db2.gz ZVVMYTGTHJQCRP-PTZCXBDSSA-N 0 0 333.171 3.197 10 5 EGBERN CCc1cc(NCCCC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187558492 1388125843 /nfs/dbraw/zinc/12/58/43/1388125843.db2.gz HTVXVMBYPUHHNU-UHFFFAOYSA-N 0 0 336.342 3.493 10 5 EGBERN Cc1cc(NC[C@H]2CCCN2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001187558281 1388125969 /nfs/dbraw/zinc/12/59/69/1388125969.db2.gz DTLKNLBDZIEPMD-SNVBAGLBSA-N 0 0 335.301 3.481 10 5 EGBERN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC001119305988 1371303119 /nfs/dbraw/zinc/30/31/19/1371303119.db2.gz SXTWJCBOUYBRBX-CQSZACIVSA-N 0 0 349.774 3.151 10 5 EGBERN CC(C)(C(=O)OCC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001326212118 1388128611 /nfs/dbraw/zinc/12/86/11/1388128611.db2.gz VQNSUJLHVHABEE-UHFFFAOYSA-N 0 0 339.363 3.106 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC3(CCC3)CO2)cc1C ZINC001187640421 1388134433 /nfs/dbraw/zinc/13/44/33/1388134433.db2.gz PIIKEOPMMNKTJA-CYBMUJFWSA-N 0 0 348.399 3.451 10 5 EGBERN COC(=O)/C=C\c1ccc(SCc2cnc(C)o2)c([N+](=O)[O-])c1 ZINC001187807616 1388166890 /nfs/dbraw/zinc/16/68/90/1388166890.db2.gz FQXUOGBICCURPK-XQRVVYSFSA-N 0 0 334.353 3.370 10 5 EGBERN CNC(=O)c1ccc(NC[C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001187897022 1388186127 /nfs/dbraw/zinc/18/61/27/1388186127.db2.gz KXFSPQLBJJVCPM-HOTGVXAUSA-N 0 0 339.395 3.245 10 5 EGBERN C[C@@H]([C@H](OC(=O)Cc1cc(C2CC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001123035526 1372366190 /nfs/dbraw/zinc/36/61/90/1372366190.db2.gz VVFVWVBAULDAMT-BTDLBPIBSA-N 0 0 348.330 3.183 10 5 EGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]1(CO)c1ccccc1 ZINC001124018152 1372658367 /nfs/dbraw/zinc/65/83/67/1372658367.db2.gz GFQXRGCBXVESCR-IBGZPJMESA-N 0 0 340.379 3.027 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC001124120562 1372676368 /nfs/dbraw/zinc/67/63/68/1372676368.db2.gz UQVJAUQBFHRTBZ-RISCZKNCSA-N 0 0 338.791 3.198 10 5 EGBERN Cc1ccc(F)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001124165111 1372681195 /nfs/dbraw/zinc/68/11/95/1372681195.db2.gz XRJPXGXDOJJYMQ-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H](F)CC1CCCCC1 ZINC001124499851 1372706927 /nfs/dbraw/zinc/70/69/27/1372706927.db2.gz GUQUEZHSVVHZRC-CQSZACIVSA-N 0 0 337.395 3.431 10 5 EGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccn2)nc1 ZINC001125485096 1372794549 /nfs/dbraw/zinc/79/45/49/1372794549.db2.gz ARZCACRPEBUJDS-UHFFFAOYSA-N 0 0 335.319 3.409 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC001125662252 1372832605 /nfs/dbraw/zinc/83/26/05/1372832605.db2.gz JSDKVNAZYBNIOA-UHFFFAOYSA-N 0 0 349.343 3.270 10 5 EGBERN CSc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001125748488 1372846902 /nfs/dbraw/zinc/84/69/02/1372846902.db2.gz ZLXGKKUURAOWNW-UHFFFAOYSA-N 0 0 335.360 3.422 10 5 EGBERN CCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001125771533 1372854093 /nfs/dbraw/zinc/85/40/93/1372854093.db2.gz YIQONAVMSUSNHW-OAHLLOKOSA-N 0 0 327.384 3.439 10 5 EGBERN C/C(=C/c1cccnc1)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125791895 1372857479 /nfs/dbraw/zinc/85/74/79/1372857479.db2.gz VMBZBRUZYJZLOD-QBFSEMIESA-N 0 0 349.350 3.218 10 5 EGBERN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC001126179837 1372946460 /nfs/dbraw/zinc/94/64/60/1372946460.db2.gz MPZBXZJOYDTIIH-UHFFFAOYSA-N 0 0 339.326 3.488 10 5 EGBERN Cc1ccc([C@H](C)NC(=O)c2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001126534281 1372972536 /nfs/dbraw/zinc/97/25/36/1372972536.db2.gz ZFOUCEYCGQIAOX-JTQLQIEISA-N 0 0 346.314 3.262 10 5 EGBERN O=C(c1ccnc(-c2ccco2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001126611698 1372983151 /nfs/dbraw/zinc/98/31/51/1372983151.db2.gz MCYWZMMCAVAEQX-UHFFFAOYSA-N 0 0 335.319 3.406 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001126613796 1372983990 /nfs/dbraw/zinc/98/39/90/1372983990.db2.gz XGCZAKYKFRIFTK-UHFFFAOYSA-N 0 0 341.323 3.276 10 5 EGBERN CCCn1nccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001126880242 1373045384 /nfs/dbraw/zinc/04/53/84/1373045384.db2.gz OTTFERRACXQFAN-UHFFFAOYSA-N 0 0 325.328 3.002 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(F)cc32)c1C ZINC001126946891 1373056473 /nfs/dbraw/zinc/05/64/73/1373056473.db2.gz WEAJOJYYBQHQRR-UHFFFAOYSA-N 0 0 330.315 3.390 10 5 EGBERN Cc1cc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1F ZINC001127110926 1373087862 /nfs/dbraw/zinc/08/78/62/1373087862.db2.gz KAIXLXWSWKFBDN-UHFFFAOYSA-N 0 0 347.298 3.423 10 5 EGBERN Cc1ncccc1/C=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127205710 1373103321 /nfs/dbraw/zinc/10/33/21/1373103321.db2.gz RHJGBDVMCFLQKS-DAXSKMNVSA-N 0 0 331.759 3.281 10 5 EGBERN C/C(=C\c1ccccn1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001127206327 1373103616 /nfs/dbraw/zinc/10/36/16/1373103616.db2.gz ZBVOPJTYUSENRG-DHZHZOJOSA-N 0 0 331.759 3.363 10 5 EGBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)n1 ZINC001127273070 1373110886 /nfs/dbraw/zinc/11/08/86/1373110886.db2.gz ZKGSYWFZZDXSHR-UHFFFAOYSA-N 0 0 330.193 3.367 10 5 EGBERN COCc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC001127474144 1373129550 /nfs/dbraw/zinc/12/95/50/1373129550.db2.gz RFDFZWLTYKSPJR-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1(C)C ZINC001127522797 1373134915 /nfs/dbraw/zinc/13/49/15/1373134915.db2.gz PWDZPQYHGHLXGZ-BIGNPOOSSA-N 0 0 338.429 3.106 10 5 EGBERN O=C(NCC12CCC(CC1)C2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001127612767 1373147982 /nfs/dbraw/zinc/14/79/82/1373147982.db2.gz WSWIREACPJGCEJ-UHFFFAOYSA-N 0 0 340.383 3.091 10 5 EGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001127786699 1373179878 /nfs/dbraw/zinc/17/98/78/1373179878.db2.gz MDPCITFBQRSAFM-CABCVRRESA-N 0 0 338.379 3.364 10 5 EGBERN Cc1nn(CCC(=O)N[C@@H](C)C2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC001127957934 1373204030 /nfs/dbraw/zinc/20/40/30/1373204030.db2.gz RYXXYMXTDVKCHI-LBPRGKRZSA-N 0 0 336.436 3.273 10 5 EGBERN Cc1ncccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001127963178 1373204628 /nfs/dbraw/zinc/20/46/28/1373204628.db2.gz ZHEFMJPEEGOEEC-RMKNXTFCSA-N 0 0 334.335 3.498 10 5 EGBERN COc1ccc(OC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001128088955 1373217254 /nfs/dbraw/zinc/21/72/54/1373217254.db2.gz BFWNCRNGLMZIFS-GUYCJALGSA-N 0 0 331.299 3.394 10 5 EGBERN CC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC001128971033 1373329749 /nfs/dbraw/zinc/32/97/49/1373329749.db2.gz OJAZZIUVIRWJBW-MRXNPFEDSA-N 0 0 342.399 3.479 10 5 EGBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001128984158 1373331062 /nfs/dbraw/zinc/33/10/62/1373331062.db2.gz CXARVJRWALGJPC-UHFFFAOYSA-N 0 0 338.323 3.373 10 5 EGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1cnc(-c2ccccc2)nc1 ZINC001188170227 1388256525 /nfs/dbraw/zinc/25/65/25/1388256525.db2.gz SIFALLNYGSBLMV-UHFFFAOYSA-N 0 0 335.319 3.443 10 5 EGBERN COc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1F ZINC001129141007 1373352001 /nfs/dbraw/zinc/35/20/01/1373352001.db2.gz UWDMTWAEPFPYBC-UHFFFAOYSA-N 0 0 338.266 3.143 10 5 EGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001129486583 1373389671 /nfs/dbraw/zinc/38/96/71/1373389671.db2.gz MHNJUWDPHPGCLA-UHFFFAOYSA-N 0 0 340.339 3.403 10 5 EGBERN CCc1cccc(F)c1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001129686961 1373412386 /nfs/dbraw/zinc/41/23/86/1373412386.db2.gz XGJMTGFGIQASBV-UHFFFAOYSA-N 0 0 333.315 3.419 10 5 EGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CC1(C)C ZINC001129858577 1373429931 /nfs/dbraw/zinc/42/99/31/1373429931.db2.gz NOQNIWIFBBRTNW-CHWSQXEVSA-N 0 0 335.360 3.366 10 5 EGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1COCc2ccccc21 ZINC001130042553 1373447785 /nfs/dbraw/zinc/44/77/85/1373447785.db2.gz DLRHXESIWRJXSV-MRXNPFEDSA-N 0 0 346.770 3.178 10 5 EGBERN O=C(N[C@H]1COCc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC001130043502 1373448305 /nfs/dbraw/zinc/44/83/05/1373448305.db2.gz RKTNHQWGEAWXHY-ZDUSSCGKSA-N 0 0 332.743 3.250 10 5 EGBERN CCc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1C ZINC001130113355 1373457582 /nfs/dbraw/zinc/45/75/82/1373457582.db2.gz NXEQGLJIIXQOLN-UHFFFAOYSA-N 0 0 343.170 3.450 10 5 EGBERN Nc1c(C(=O)N[C@H]2CCC[C@@H](F)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001130126024 1373459031 /nfs/dbraw/zinc/45/90/31/1373459031.db2.gz IUTALINAWHIQOY-NEPJUHHUSA-N 0 0 331.347 3.341 10 5 EGBERN O=C(NC[C@@H]1CSc2ccccc2O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001130167823 1373468399 /nfs/dbraw/zinc/46/83/99/1373468399.db2.gz HYKXOAUYCDROCN-CYBMUJFWSA-N 0 0 348.355 3.017 10 5 EGBERN COc1ccc(CC(=O)Nc2ccc(C)c(C(C)=O)c2)cc1[N+](=O)[O-] ZINC001130449313 1373544087 /nfs/dbraw/zinc/54/40/87/1373544087.db2.gz FJFNAVXPOIPQJV-UHFFFAOYSA-N 0 0 342.351 3.296 10 5 EGBERN C[C@@H]1C[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1=O ZINC001130761685 1373588869 /nfs/dbraw/zinc/58/88/69/1373588869.db2.gz XOPFHQZKOSATOM-MNOVXSKESA-N 0 0 327.340 3.087 10 5 EGBERN CC(C)(C)n1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001130957714 1373615696 /nfs/dbraw/zinc/61/56/96/1373615696.db2.gz ZQFNWHGGHDWUFE-UHFFFAOYSA-N 0 0 339.355 3.347 10 5 EGBERN Cc1cccc2c1C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)CO2 ZINC001131528521 1373715885 /nfs/dbraw/zinc/71/58/85/1373715885.db2.gz JJMMGFNHCPMUEG-LBPRGKRZSA-N 0 0 344.342 3.084 10 5 EGBERN Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cs1 ZINC001131606098 1373730394 /nfs/dbraw/zinc/73/03/94/1373730394.db2.gz XPYRZOFCVUYWIX-UHFFFAOYSA-N 0 0 328.353 3.403 10 5 EGBERN Cc1cc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1 ZINC001131657430 1373747436 /nfs/dbraw/zinc/74/74/36/1373747436.db2.gz AVEMUWGIMFITII-SNVBAGLBSA-N 0 0 341.323 3.241 10 5 EGBERN Cc1c(C(=O)N[C@H](C)CC2CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001131927300 1375051012 /nfs/dbraw/zinc/05/10/12/1375051012.db2.gz OKEYGIOJLFWJIU-SECBINFHSA-N 0 0 335.360 3.428 10 5 EGBERN CS[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001131933406 1375055242 /nfs/dbraw/zinc/05/52/42/1375055242.db2.gz HNIDHFARZNDUBW-XYPYZODXSA-N 0 0 344.820 3.027 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(OCC(C)C)ncn1 ZINC001131982656 1375081633 /nfs/dbraw/zinc/08/16/33/1375081633.db2.gz YTOPETDFOAOYIX-UHFFFAOYSA-N 0 0 344.371 3.289 10 5 EGBERN O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001132099519 1375147079 /nfs/dbraw/zinc/14/70/79/1375147079.db2.gz YZTDWNIRQNAXKD-UONOGXRCSA-N 0 0 335.379 3.206 10 5 EGBERN Cc1ccc(CNC(=O)/C=C\c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC001132418765 1375366115 /nfs/dbraw/zinc/36/61/15/1375366115.db2.gz LMOPXWNWWJENTL-ALCCZGGFSA-N 0 0 331.759 3.281 10 5 EGBERN COCc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1OC ZINC001132617155 1375486730 /nfs/dbraw/zinc/48/67/30/1375486730.db2.gz JPPBLZRCQDGMHZ-UHFFFAOYSA-N 0 0 330.340 3.311 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC001132907076 1375637780 /nfs/dbraw/zinc/63/77/80/1375637780.db2.gz DSZVTDYHTGQKDS-AWEZNQCLSA-N 0 0 334.416 3.455 10 5 EGBERN COc1cccc2[nH]c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC001133049183 1375741624 /nfs/dbraw/zinc/74/16/24/1375741624.db2.gz UMIWNOCLWTVQBP-YFHOEESVSA-N 0 0 338.323 3.132 10 5 EGBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(n1)CCCC2 ZINC001133389736 1375974262 /nfs/dbraw/zinc/97/42/62/1375974262.db2.gz QNQRZTZPXHXBQH-UHFFFAOYSA-N 0 0 340.383 3.309 10 5 EGBERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC001133420774 1375998803 /nfs/dbraw/zinc/99/88/03/1375998803.db2.gz OMKQOPYLTOGZIE-FZKQIMNGSA-N 0 0 340.379 3.393 10 5 EGBERN Cn1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])nc2ccccc21 ZINC001133478152 1376031366 /nfs/dbraw/zinc/03/13/66/1376031366.db2.gz DHVNGEAPHOKRJK-UHFFFAOYSA-N 0 0 330.731 3.387 10 5 EGBERN CC(C)c1ccc(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001133638066 1376130399 /nfs/dbraw/zinc/13/03/99/1376130399.db2.gz QNJOCPGDNVLMBO-AWEZNQCLSA-N 0 0 332.400 3.407 10 5 EGBERN C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001133705733 1376166743 /nfs/dbraw/zinc/16/67/43/1376166743.db2.gz ADBVENILFSLFMX-JTQLQIEISA-N 0 0 336.294 3.129 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N=[S@](C)(=O)c2cccc(F)c2)c1 ZINC001134013095 1376312439 /nfs/dbraw/zinc/31/24/39/1376312439.db2.gz UHXYHEWYCFOIFA-HSZRJFAPSA-N 0 0 336.344 3.339 10 5 EGBERN CCNc1ccc(C(=O)Nc2cnc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC001134112208 1376373684 /nfs/dbraw/zinc/37/36/84/1376373684.db2.gz UADUXRISMCHSPF-UHFFFAOYSA-N 0 0 338.726 3.466 10 5 EGBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)cccc21 ZINC001134305300 1376465446 /nfs/dbraw/zinc/46/54/46/1376465446.db2.gz BUKSCCKRYWNEEQ-CQSZACIVSA-N 0 0 348.305 3.056 10 5 EGBERN CC(C)(C)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134358223 1376493087 /nfs/dbraw/zinc/49/30/87/1376493087.db2.gz RMEPEQBQNKRQDQ-UHFFFAOYSA-N 0 0 341.367 3.244 10 5 EGBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001134599293 1376619776 /nfs/dbraw/zinc/61/97/76/1376619776.db2.gz QCZWDCFXAMFOBN-LKFCYVNXSA-N 0 0 326.805 3.073 10 5 EGBERN COC(=O)c1coc([C@H](C)Sc2ccc([N+](=O)[O-])cc2F)n1 ZINC001189094998 1388457097 /nfs/dbraw/zinc/45/70/97/1388457097.db2.gz VOSSOQSUFDMZNY-ZETCQYMHSA-N 0 0 326.305 3.362 10 5 EGBERN Cc1cc(NC(=O)c2ccc(-n3cccn3)c(F)c2)cc([N+](=O)[O-])c1 ZINC001134962819 1376812798 /nfs/dbraw/zinc/81/27/98/1376812798.db2.gz IQXCDSYHRYCVIS-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CCc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC001135076159 1376880646 /nfs/dbraw/zinc/88/06/46/1376880646.db2.gz LOXKYVNWKCNWLB-UHFFFAOYSA-N 0 0 340.379 3.364 10 5 EGBERN CCc1ccc2c(c1)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC001135072745 1376880796 /nfs/dbraw/zinc/88/07/96/1376880796.db2.gz KGSVVULFBSBJBL-UHFFFAOYSA-N 0 0 340.379 3.121 10 5 EGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc(C(F)(F)F)c1 ZINC001135192101 1376963621 /nfs/dbraw/zinc/96/36/21/1376963621.db2.gz QTUAHWAVYFIDTK-UHFFFAOYSA-N 0 0 341.245 3.270 10 5 EGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001135494876 1377117759 /nfs/dbraw/zinc/11/77/59/1377117759.db2.gz LSKSERYTDGBJDL-UHFFFAOYSA-N 0 0 339.355 3.193 10 5 EGBERN Cc1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1Br ZINC001135504078 1377121919 /nfs/dbraw/zinc/12/19/19/1377121919.db2.gz BRDJACLTMZJPLU-UHFFFAOYSA-N 0 0 342.174 3.375 10 5 EGBERN COCC1(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001261656741 1377125323 /nfs/dbraw/zinc/12/53/23/1377125323.db2.gz JAXLTROIIVYKKD-UHFFFAOYSA-N 0 0 336.779 3.420 10 5 EGBERN COc1ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc1[N+](=O)[O-] ZINC001136337788 1377378953 /nfs/dbraw/zinc/37/89/53/1377378953.db2.gz VFZOVWPDINXNGR-DUXPYHPUSA-N 0 0 331.155 3.095 10 5 EGBERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(CC)CC ZINC001137064246 1377471574 /nfs/dbraw/zinc/47/15/74/1377471574.db2.gz YALOMPVRJDRJBR-HZPDHXFCSA-N 0 0 349.431 3.350 10 5 EGBERN COc1ccc(C[C@H]2CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001137253732 1377505406 /nfs/dbraw/zinc/50/54/06/1377505406.db2.gz IQNIMXDEHWPFFZ-CYBMUJFWSA-N 0 0 332.381 3.122 10 5 EGBERN Cc1ccc2c(CCNC(=O)c3cc([N+](=O)[O-])cc(C)n3)c[nH]c2c1 ZINC001138334697 1377704602 /nfs/dbraw/zinc/70/46/02/1377704602.db2.gz UBNUUROAPKNGKW-UHFFFAOYSA-N 0 0 338.367 3.060 10 5 EGBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001139892904 1377973620 /nfs/dbraw/zinc/97/36/20/1377973620.db2.gz WTCPFKUXFGBNLN-UKRRQHHQSA-N 0 0 332.306 3.088 10 5 EGBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001139967072 1377985470 /nfs/dbraw/zinc/98/54/70/1377985470.db2.gz DXFVFRSPUUSZLB-BMIGLBTASA-N 0 0 334.759 3.159 10 5 EGBERN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001141617994 1378351844 /nfs/dbraw/zinc/35/18/44/1378351844.db2.gz MPUFWVBRBOQIQK-LLVKDONJSA-N 0 0 330.315 3.157 10 5 EGBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]cnc2c1 ZINC001142428493 1378442475 /nfs/dbraw/zinc/44/24/75/1378442475.db2.gz PZASYOKGVSXGMO-UHFFFAOYSA-N 0 0 338.323 3.073 10 5 EGBERN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](C)c1ccccc1 ZINC001142569846 1378460174 /nfs/dbraw/zinc/46/01/74/1378460174.db2.gz UKDUEZVJJDRMTG-ZDUSSCGKSA-N 0 0 343.383 3.027 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)c(F)cc1N ZINC001143100102 1378539312 /nfs/dbraw/zinc/53/93/12/1378539312.db2.gz JWMCMXAHJBBFJO-UHFFFAOYSA-N 0 0 338.726 3.264 10 5 EGBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1F ZINC001143377271 1378589109 /nfs/dbraw/zinc/58/91/09/1378589109.db2.gz UTQYMBBGJMWKDN-UHFFFAOYSA-N 0 0 328.221 3.081 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC001143786825 1378646194 /nfs/dbraw/zinc/64/61/94/1378646194.db2.gz HEDYEIODWPQSLW-UHFFFAOYSA-N 0 0 328.250 3.206 10 5 EGBERN C[C@H]1CCCCN1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001144069666 1378678984 /nfs/dbraw/zinc/67/89/84/1378678984.db2.gz DWFHDKBOBPULNT-VIFPVBQESA-N 0 0 331.294 3.133 10 5 EGBERN CCCOC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCCCC1 ZINC001149059635 1379317671 /nfs/dbraw/zinc/31/76/71/1379317671.db2.gz QJHZUYSLIODSRM-UHFFFAOYSA-N 0 0 349.431 3.345 10 5 EGBERN CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1(C)C ZINC001149201613 1379345397 /nfs/dbraw/zinc/34/53/97/1379345397.db2.gz BYXFNWXDJBYAKK-HZPDHXFCSA-N 0 0 349.431 3.350 10 5 EGBERN Cc1cccc([C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C(C)C)c1 ZINC001150927651 1379633856 /nfs/dbraw/zinc/63/38/56/1379633856.db2.gz HZNQMRXTELBSBB-GFCCVEGCSA-N 0 0 336.779 3.407 10 5 EGBERN CCCc1n[nH]c(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC001152400311 1379927080 /nfs/dbraw/zinc/92/70/80/1379927080.db2.gz FTHPWWJBLUZTCG-NWDGAFQWSA-N 0 0 334.420 3.169 10 5 EGBERN CC[C@]1(CCc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001153464958 1380081706 /nfs/dbraw/zinc/08/17/06/1380081706.db2.gz JMPPOTLLURLLDJ-GOSISDBHSA-N 0 0 342.399 3.336 10 5 EGBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001153916471 1380154314 /nfs/dbraw/zinc/15/43/14/1380154314.db2.gz XTNUNKUJSIUSLN-UHFFFAOYSA-N 0 0 339.395 3.462 10 5 EGBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1-c1cccnc1 ZINC001154566755 1380307299 /nfs/dbraw/zinc/30/72/99/1380307299.db2.gz YRCLPFXCFVDDGV-UHFFFAOYSA-N 0 0 341.302 3.080 10 5 EGBERN CC[C@H]1CCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845407 1380363970 /nfs/dbraw/zinc/36/39/70/1380363970.db2.gz TXYKNIFWMZMGKX-JSGCOSHPSA-N 0 0 344.415 3.346 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NN1CCCc2ccccc21 ZINC001155245758 1380428741 /nfs/dbraw/zinc/42/87/41/1380428741.db2.gz OERZPPZOEZUMNK-UHFFFAOYSA-N 0 0 329.331 3.140 10 5 EGBERN C[C@H](NC(=O)c1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001328102581 1388673761 /nfs/dbraw/zinc/67/37/61/1388673761.db2.gz SHCWLUIFRNIXQN-NSHDSACASA-N 0 0 338.323 3.136 10 5 EGBERN C[C@@H](NC(=O)c1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001328102580 1388673778 /nfs/dbraw/zinc/67/37/78/1388673778.db2.gz SHCWLUIFRNIXQN-LLVKDONJSA-N 0 0 338.323 3.136 10 5 EGBERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c(N)c1[N+](=O)[O-] ZINC001158232193 1381168608 /nfs/dbraw/zinc/16/86/08/1381168608.db2.gz SNAKAJRJPYOCBZ-CYBMUJFWSA-N 0 0 339.351 3.184 10 5 EGBERN Cc1ccc(NC(=O)c2cc(Cl)c(F)cc2N)c(N)c1[N+](=O)[O-] ZINC001158231497 1381168628 /nfs/dbraw/zinc/16/86/28/1381168628.db2.gz HDYSAONHBVTMRM-UHFFFAOYSA-N 0 0 338.726 3.112 10 5 EGBERN COCc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OC ZINC001288123065 1381572230 /nfs/dbraw/zinc/57/22/30/1381572230.db2.gz SKZBXMNNOVJKHN-UHFFFAOYSA-N 0 0 334.303 3.141 10 5 EGBERN Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cn2C)c1Br ZINC001288246108 1381749420 /nfs/dbraw/zinc/74/94/20/1381749420.db2.gz NPFXLKXZKJDMCC-UHFFFAOYSA-N 0 0 339.145 3.223 10 5 EGBERN CC(C)c1nccnc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001289190319 1381979348 /nfs/dbraw/zinc/97/93/48/1381979348.db2.gz UBGLHMKZGQXXRB-UHFFFAOYSA-N 0 0 339.355 3.102 10 5 EGBERN Cc1cnc2c(c1)N(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCN2C ZINC001289779021 1382010827 /nfs/dbraw/zinc/01/08/27/1382010827.db2.gz YDSXZUIMWCDQDT-UHFFFAOYSA-N 0 0 340.383 3.012 10 5 EGBERN Cc1c(CC(=O)Nc2ccc3occc(=O)c3c2)cccc1[N+](=O)[O-] ZINC001289866544 1382014936 /nfs/dbraw/zinc/01/49/36/1382014936.db2.gz LZVPOZJMWXSJEN-UHFFFAOYSA-N 0 0 338.319 3.191 10 5 EGBERN Cc1nc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1-c1ccccc1 ZINC001160209008 1382034018 /nfs/dbraw/zinc/03/40/18/1382034018.db2.gz GCGPBLQHNPUSIF-UHFFFAOYSA-N 0 0 349.350 3.195 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCNc1ccccn1 ZINC001162004314 1382596779 /nfs/dbraw/zinc/59/67/79/1382596779.db2.gz ISJSYJVHESCZBY-UHFFFAOYSA-N 0 0 343.774 3.137 10 5 EGBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCc2cc(OC)ccc21 ZINC001162285030 1382721326 /nfs/dbraw/zinc/72/13/26/1382721326.db2.gz FVDZPUKCBMFTSR-UHFFFAOYSA-N 0 0 342.351 3.393 10 5 EGBERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001295615413 1382743338 /nfs/dbraw/zinc/74/33/38/1382743338.db2.gz YVJQXPATYKABHE-KRWDZBQOSA-N 0 0 337.335 3.262 10 5 EGBERN CN(C)c1nnc(Sc2nccc3c2cccc3[N+](=O)[O-])s1 ZINC001162502007 1382774525 /nfs/dbraw/zinc/77/45/25/1382774525.db2.gz BZRCSTOKDWYCCU-UHFFFAOYSA-N 0 0 333.398 3.212 10 5 EGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCc2ccccc21 ZINC001162510980 1382777250 /nfs/dbraw/zinc/77/72/50/1382777250.db2.gz UQWQBUNNARHWKO-SNVBAGLBSA-N 0 0 340.305 3.489 10 5 EGBERN CCOC(=O)CCc1cc(Oc2cccc(C)c2[N+](=O)[O-])nc(C)n1 ZINC001162838391 1382891199 /nfs/dbraw/zinc/89/11/99/1382891199.db2.gz NHUAMIZDWRKQAM-UHFFFAOYSA-N 0 0 345.355 3.290 10 5 EGBERN CCC1(CC)[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1OC ZINC001162892190 1382907261 /nfs/dbraw/zinc/90/72/61/1382907261.db2.gz OKICGMXWRZVLQI-HUUCEWRRSA-N 0 0 336.388 3.387 10 5 EGBERN CC(C)(C)Oc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC001162943754 1382922936 /nfs/dbraw/zinc/92/29/36/1382922936.db2.gz SARVTAHZICKLQB-UHFFFAOYSA-N 0 0 336.779 3.250 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC001163001110 1382943544 /nfs/dbraw/zinc/94/35/44/1382943544.db2.gz USMPUOYTQKTWBG-CABCVRRESA-N 0 0 336.388 3.385 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(c3ccc(F)cc3)C2)c1 ZINC001163373502 1383035690 /nfs/dbraw/zinc/03/56/90/1383035690.db2.gz RWZKMQVAAVTMOS-UHFFFAOYSA-N 0 0 330.315 3.124 10 5 EGBERN CC(C)Oc1nc(NC[C@@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001163402826 1383043755 /nfs/dbraw/zinc/04/37/55/1383043755.db2.gz BLFRMWKGEVFDFX-AWEZNQCLSA-N 0 0 337.420 3.378 10 5 EGBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccnc(Cl)c1 ZINC001163480134 1383060836 /nfs/dbraw/zinc/06/08/36/1383060836.db2.gz BIEHMMRNOGNSCT-UHFFFAOYSA-N 0 0 332.722 3.365 10 5 EGBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001296827281 1383067242 /nfs/dbraw/zinc/06/72/42/1383067242.db2.gz NMOHMUMLZPLQRO-DZGCQCFKSA-N 0 0 330.771 3.463 10 5 EGBERN Nc1nc(NCCCc2c(Cl)cccc2Cl)ncc1[N+](=O)[O-] ZINC001163617326 1383089651 /nfs/dbraw/zinc/08/96/51/1383089651.db2.gz FRBUQMWDTLUKOU-UHFFFAOYSA-N 0 0 342.186 3.319 10 5 EGBERN C[C@H](CSc1ccccc1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001163676078 1383103516 /nfs/dbraw/zinc/10/35/16/1383103516.db2.gz PSPMLSFGKPEJFL-GFCCVEGCSA-N 0 0 345.424 3.311 10 5 EGBERN Cc1ccc([C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC001163678846 1383104220 /nfs/dbraw/zinc/10/42/20/1383104220.db2.gz XUNQRVZMLCICBA-GFCCVEGCSA-N 0 0 343.261 3.112 10 5 EGBERN CN(Cc1cscc1Br)c1ncccc1[N+](=O)[O-] ZINC001164030416 1383148304 /nfs/dbraw/zinc/14/83/04/1383148304.db2.gz SPDVNLDPBLIBGX-UHFFFAOYSA-N 0 0 328.191 3.450 10 5 EGBERN CCC(=O)c1ccc(N[C@@H]2CCC[C@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC001164384288 1383183500 /nfs/dbraw/zinc/18/35/00/1383183500.db2.gz UXGWUYJVSKYOQN-WCQYABFASA-N 0 0 334.372 3.331 10 5 EGBERN O=C1Nc2ccccc2S[C@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001164575272 1383200832 /nfs/dbraw/zinc/20/08/32/1383200832.db2.gz AYBLHUNAPWLESE-HNNXBMFYSA-N 0 0 330.365 3.477 10 5 EGBERN Cn1c(SCc2ccnc(N)c2)nc2cc3ccccc3cc2c1=O ZINC001165297593 1383268521 /nfs/dbraw/zinc/26/85/21/1383268521.db2.gz VPHHJEDLJISZBP-UHFFFAOYSA-N 0 0 348.431 3.356 10 5 EGBERN CC1(C)C[C@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC001165615681 1383316026 /nfs/dbraw/zinc/31/60/26/1383316026.db2.gz QTBUOSUSXDOYEG-GFCCVEGCSA-N 0 0 347.371 3.005 10 5 EGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCOc1cccc(C=O)c1 ZINC001298809595 1383432446 /nfs/dbraw/zinc/43/24/46/1383432446.db2.gz QMSUOLYTMRLIJC-UHFFFAOYSA-N 0 0 342.351 3.432 10 5 EGBERN CCC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC001299213830 1383487623 /nfs/dbraw/zinc/48/76/23/1383487623.db2.gz UXXMOYYPSKGHIK-MRXNPFEDSA-N 0 0 342.399 3.479 10 5 EGBERN C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001167477990 1383645618 /nfs/dbraw/zinc/64/56/18/1383645618.db2.gz JMFDRKAHVOUJJU-MNOVXSKESA-N 0 0 325.796 3.307 10 5 EGBERN Cc1ccc(-n2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC001300150212 1383649215 /nfs/dbraw/zinc/64/92/15/1383649215.db2.gz QKCULUZCXJQPQH-UHFFFAOYSA-N 0 0 340.314 3.480 10 5 EGBERN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])c2cc(F)ccc21 ZINC001300222743 1383654095 /nfs/dbraw/zinc/65/40/95/1383654095.db2.gz QFCCCQMQDXJNFS-UHFFFAOYSA-N 0 0 329.331 3.254 10 5 EGBERN CCc1ccc(C(=O)N[C@]2(CO)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001300976360 1383688803 /nfs/dbraw/zinc/68/88/03/1383688803.db2.gz YOZITCPXQMMTTK-GOSISDBHSA-N 0 0 334.416 3.218 10 5 EGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(NC=O)c1 ZINC001304102086 1383830397 /nfs/dbraw/zinc/83/03/97/1383830397.db2.gz PDTQHSTYXRZPOQ-NSHDSACASA-N 0 0 345.380 3.282 10 5 EGBERN Cc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])[nH]n1 ZINC001304124736 1383834312 /nfs/dbraw/zinc/83/43/12/1383834312.db2.gz TVRGVNMPGZDCJY-OAHLLOKOSA-N 0 0 332.335 3.133 10 5 EGBERN O=C(N[C@@H](CO)CC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306858672 1383911373 /nfs/dbraw/zinc/91/13/73/1383911373.db2.gz MIWSJPMBBAEOTL-CYBMUJFWSA-N 0 0 340.807 3.309 10 5 EGBERN CCn1c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccccc21 ZINC001306918432 1383920411 /nfs/dbraw/zinc/92/04/11/1383920411.db2.gz RTWWRFMIABBYNL-UHFFFAOYSA-N 0 0 336.355 3.453 10 5 EGBERN COC(=O)Cc1ccc(NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001306926455 1383921840 /nfs/dbraw/zinc/92/18/40/1383921840.db2.gz YWXKGFDEIANZOU-UHFFFAOYSA-N 0 0 340.379 3.454 10 5 EGBERN O=[N+]([O-])c1cnc(NCc2n[nH]cc2Br)c2ccccc21 ZINC001306961536 1383926443 /nfs/dbraw/zinc/92/64/43/1383926443.db2.gz YRIUZYUVMZUULL-UHFFFAOYSA-N 0 0 348.160 3.241 10 5 EGBERN O=[N+]([O-])c1cnccc1NCCCc1cccc(Br)c1 ZINC001306969243 1383928045 /nfs/dbraw/zinc/92/80/45/1383928045.db2.gz DCLDBYYCAZMASC-UHFFFAOYSA-N 0 0 336.189 3.219 10 5 EGBERN CCOCCC1(CNc2c(Cl)cncc2[N+](=O)[O-])CCCC1 ZINC001306993031 1383930846 /nfs/dbraw/zinc/93/08/46/1383930846.db2.gz KLQGYNYLHOZYNH-UHFFFAOYSA-N 0 0 327.812 3.464 10 5 EGBERN CC[C@@H]1CCCC[C@H]1N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001306999548 1383931573 /nfs/dbraw/zinc/93/15/73/1383931573.db2.gz NSDLIRKBJQVZNS-TZMCWYRMSA-N 0 0 335.404 3.490 10 5 EGBERN Cc1cc(C)n(-c2ccccc2CNc2ncc([N+](=O)[O-])c(C)n2)n1 ZINC001307000602 1383932126 /nfs/dbraw/zinc/93/21/26/1383932126.db2.gz HAHQCOMDXNJVOG-UHFFFAOYSA-N 0 0 338.371 3.108 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(F)F ZINC001307020059 1383933439 /nfs/dbraw/zinc/93/34/39/1383933439.db2.gz TUNVUYKALNRJIM-UHFFFAOYSA-N 0 0 339.346 3.355 10 5 EGBERN CN(CCC(=O)OC(C)(C)C)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001307069407 1383936260 /nfs/dbraw/zinc/93/62/60/1383936260.db2.gz UQMREZKJTBRIAY-UHFFFAOYSA-N 0 0 349.362 3.450 10 5 EGBERN Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nn(C)cc1[N+](=O)[O-])CC3 ZINC001307080393 1383937564 /nfs/dbraw/zinc/93/75/64/1383937564.db2.gz MOHJJPQAZYBRIH-NSHDSACASA-N 0 0 325.372 3.087 10 5 EGBERN COC(=O)CN(CCc1ccccc1)c1cc(C)ccc1[N+](=O)[O-] ZINC001307080123 1383937689 /nfs/dbraw/zinc/93/76/89/1383937689.db2.gz HTALGLUKYCYIET-UHFFFAOYSA-N 0 0 328.368 3.125 10 5 EGBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCSC[C@@H](C)C2)cc1C ZINC001307111968 1383941410 /nfs/dbraw/zinc/94/14/10/1383941410.db2.gz RWYFACGNJAVGDC-NSHDSACASA-N 0 0 338.429 3.269 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC001307144469 1383944914 /nfs/dbraw/zinc/94/49/14/1383944914.db2.gz AFZIRRKXSSUXPF-PZBABLGHSA-N 0 0 342.355 3.053 10 5 EGBERN COC(=O)/C=C/c1ccc(N[C@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC001307144465 1383944993 /nfs/dbraw/zinc/94/49/93/1383944993.db2.gz AFZIRRKXSSUXPF-HOSRBBHYSA-N 0 0 342.355 3.053 10 5 EGBERN NC(=O)CC1(CNc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001307173319 1383950491 /nfs/dbraw/zinc/95/04/91/1383950491.db2.gz HTQZZWKWLDITBU-UHFFFAOYSA-N 0 0 325.796 3.486 10 5 EGBERN CCC(=O)c1ccc(N[C@@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001307186240 1383952197 /nfs/dbraw/zinc/95/21/97/1383952197.db2.gz WXOJRIHUGXNSGY-OAHLLOKOSA-N 0 0 339.351 3.163 10 5 EGBERN C[C@@H]1Cc2cc(CNc3nc4sccn4c3[N+](=O)[O-])ccc2O1 ZINC001307204438 1383956208 /nfs/dbraw/zinc/95/62/08/1383956208.db2.gz ORQJPJHOXUXHCH-SECBINFHSA-N 0 0 330.369 3.240 10 5 EGBERN O=[N+]([O-])c1c(NC[C@H](O)Cc2ccc(F)cc2)ccc2ncccc21 ZINC001307210716 1383957842 /nfs/dbraw/zinc/95/78/42/1383957842.db2.gz WJWGKHYXQYQFLJ-CQSZACIVSA-N 0 0 341.342 3.298 10 5 EGBERN Cc1cc(NCc2nc(Cc3ccccc3F)no2)ncc1[N+](=O)[O-] ZINC001307208438 1383958062 /nfs/dbraw/zinc/95/80/62/1383958062.db2.gz ZAOCYJJNWIJMHM-UHFFFAOYSA-N 0 0 343.318 3.023 10 5 EGBERN COC(=O)c1ccnc(N(C)Cc2c(C)cccc2C)c1[N+](=O)[O-] ZINC001307221583 1383959091 /nfs/dbraw/zinc/95/90/91/1383959091.db2.gz ZASJHFGSBFQUKZ-UHFFFAOYSA-N 0 0 329.356 3.030 10 5 EGBERN COC(=O)/C=C/c1ccc(SCc2cc(C)on2)c([N+](=O)[O-])c1 ZINC001307230167 1383961756 /nfs/dbraw/zinc/96/17/56/1383961756.db2.gz QBEKEHPSDWRLJZ-GQCTYLIASA-N 0 0 334.353 3.370 10 5 EGBERN Cc1noc(CSc2nnc(C)n2-c2ccccc2)c1[N+](=O)[O-] ZINC001307262431 1383964934 /nfs/dbraw/zinc/96/49/34/1383964934.db2.gz MVXKRSIKTZJUAU-UHFFFAOYSA-N 0 0 331.357 3.073 10 5 EGBERN O=C(COc1ccc(F)cc1)COc1cc([N+](=O)[O-])ccc1Cl ZINC001307309030 1383969982 /nfs/dbraw/zinc/96/99/82/1383969982.db2.gz DZOHYEXZQJQJJH-UHFFFAOYSA-N 0 0 339.706 3.414 10 5 EGBERN Cc1cccc(Cl)c1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001307341020 1383974469 /nfs/dbraw/zinc/97/44/69/1383974469.db2.gz OCUCUXXMYHFASA-UHFFFAOYSA-N 0 0 335.772 3.376 10 5 EGBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(C)cc2C)c1 ZINC001307363128 1383977788 /nfs/dbraw/zinc/97/77/88/1383977788.db2.gz IOEBCUFESNYWKN-UHFFFAOYSA-N 0 0 330.340 3.238 10 5 EGBERN CCCCCC(=O)Nc1ccc(C(=O)Cn2ccnc2[N+](=O)[O-])cc1 ZINC001307385316 1383980192 /nfs/dbraw/zinc/98/01/92/1383980192.db2.gz SNICDYVWMRNSFN-UHFFFAOYSA-N 0 0 344.371 3.193 10 5 EGBERN CCOC(=O)c1cccc(N(CC)Cc2cccnc2[N+](=O)[O-])c1 ZINC001307535267 1383998657 /nfs/dbraw/zinc/99/86/57/1383998657.db2.gz LKYFXEREDBNPLS-UHFFFAOYSA-N 0 0 329.356 3.193 10 5 EGBERN COc1ccc2c(c1)N(CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001307959504 1384064884 /nfs/dbraw/zinc/06/48/84/1384064884.db2.gz WTOYHFULQMFAHD-UHFFFAOYSA-N 0 0 328.368 3.435 10 5 EGBERN COc1ccc(CN2CCC[C@H]2c2nc(C)c(C)[nH]2)cc1[N+](=O)[O-] ZINC001308069874 1384084585 /nfs/dbraw/zinc/08/45/85/1384084585.db2.gz BXMMKEYNGHWTFM-AWEZNQCLSA-N 0 0 330.388 3.280 10 5 EGBERN CC[C@@H](NC(=O)N1C[C@@H](OC)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313122 1384339283 /nfs/dbraw/zinc/33/92/83/1384339283.db2.gz MBOUGNIWNNAMBL-UHOFOFEASA-N 0 0 335.404 3.255 10 5 EGBERN CC[C@@H](NC(=O)NC[C@@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001312312816 1384339329 /nfs/dbraw/zinc/33/93/29/1384339329.db2.gz CKYWISDAPBHIMM-JFIYKMOQSA-N 0 0 349.431 3.286 10 5 EGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001312379299 1384344301 /nfs/dbraw/zinc/34/43/01/1384344301.db2.gz GOUMHSWBCDIQND-MRVWCRGKSA-N 0 0 337.807 3.279 10 5 EGBERN Cc1cc(F)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC001312493427 1384352280 /nfs/dbraw/zinc/35/22/80/1384352280.db2.gz XFSIHUGTTHGMII-UHFFFAOYSA-N 0 0 349.337 3.489 10 5 EGBERN CCN(CCNC(=O)C1CCC=CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317490536 1385190421 /nfs/dbraw/zinc/19/04/21/1385190421.db2.gz ZBOHQJJYIYJHIZ-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN CSc1ccc(C(=O)NCc2cc(C(F)F)on2)cc1[N+](=O)[O-] ZINC001178009374 1386107920 /nfs/dbraw/zinc/10/79/20/1386107920.db2.gz LMEFGCIXARXJFV-UHFFFAOYSA-N 0 0 343.311 3.172 10 5 EGBERN CC(C)(C)c1ccc(C(=O)N[C@H](c2ncon2)C2CC2)cc1[N+](=O)[O-] ZINC001178445500 1386219855 /nfs/dbraw/zinc/21/98/55/1386219855.db2.gz CGKKNJSBCXGCJG-AWEZNQCLSA-N 0 0 344.371 3.156 10 5 EGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1cc(OCC(F)F)ccn1 ZINC001319996418 1386443126 /nfs/dbraw/zinc/44/31/26/1386443126.db2.gz URUFCLWMUHRZGT-UHFFFAOYSA-N 0 0 344.705 3.294 10 5 EGBERN C[C@H]1CCC(F)(F)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001180692276 1386864315 /nfs/dbraw/zinc/86/43/15/1386864315.db2.gz GHSQEXNAHZWNMD-VIFPVBQESA-N 0 0 332.734 3.437 10 5 EGBERN O=C(Nc1nc(-c2ccccc2)no1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001182541082 1387183663 /nfs/dbraw/zinc/18/36/63/1387183663.db2.gz ROAYCDGFVTYWSH-UHFFFAOYSA-N 0 0 328.259 3.036 10 5 EGBERN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(OC(F)F)c3)o2)nc1 ZINC001322595672 1387211292 /nfs/dbraw/zinc/21/12/92/1387211292.db2.gz BRUINNMMGFTATQ-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001322617755 1387214684 /nfs/dbraw/zinc/21/46/84/1387214684.db2.gz PGSRFZQPKNMSDX-LBPRGKRZSA-N 0 0 331.397 3.148 10 5 EGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001329349338 1389071621 /nfs/dbraw/zinc/07/16/21/1389071621.db2.gz MONBCQPGXPPQMD-UHFFFAOYSA-N 0 0 335.367 3.306 10 5 EGBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329654905 1389198446 /nfs/dbraw/zinc/19/84/46/1389198446.db2.gz LSSGFFPIDZMSDV-VSYUYLJXSA-N 0 0 342.254 3.090 10 5 EGBERN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCCO1 ZINC001329939239 1389268246 /nfs/dbraw/zinc/26/82/46/1389268246.db2.gz GXIJVFCTKDCFEI-IAGOWNOFSA-N 0 0 347.415 3.010 10 5 EGBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)C(C)C ZINC001330572783 1389458980 /nfs/dbraw/zinc/45/89/80/1389458980.db2.gz VYEJCTGTGFXJKU-SECBINFHSA-N 0 0 341.795 3.229 10 5 EGBERN C/C(=C/C(=O)O[C@@H]1CCCc2nccnc21)c1ccc([N+](=O)[O-])cc1 ZINC001330649938 1389482595 /nfs/dbraw/zinc/48/25/95/1389482595.db2.gz BAXGQOAKKWUAGG-YUQCYMQKSA-N 0 0 339.351 3.409 10 5 EGBERN O=[N+]([O-])c1cccc(OCCSCc2nccn2CC(F)F)c1 ZINC001330680726 1389494878 /nfs/dbraw/zinc/49/48/78/1389494878.db2.gz JEPCSSXWVGNPAX-UHFFFAOYSA-N 0 0 343.355 3.369 10 5 EGBERN COC(=O)Cc1ccc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001330685109 1389496631 /nfs/dbraw/zinc/49/66/31/1389496631.db2.gz KOUYESPOFHUJGD-UTUOFQBUSA-N 0 0 340.326 3.156 10 5 EGBERN Nc1ccc(-c2noc([C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)n2)cc1[N+](=O)[O-] ZINC001330703803 1389503574 /nfs/dbraw/zinc/50/35/74/1389503574.db2.gz OEHSWYKBYMVPGW-BBBLOLIVSA-N 0 0 336.298 3.376 10 5 EGBERN CC(C)[C@H]1C[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001330775106 1389523509 /nfs/dbraw/zinc/52/35/09/1389523509.db2.gz QUWRNMJLFBDHQY-CXAGYDPISA-N 0 0 347.415 3.071 10 5 EGBERN COc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001331182483 1389645504 /nfs/dbraw/zinc/64/55/04/1389645504.db2.gz HFZQHBMJCXDKHO-DVVUODLYSA-N 0 0 326.299 3.223 10 5 EGBERN CC(C)c1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC001338537916 1389703555 /nfs/dbraw/zinc/70/35/55/1389703555.db2.gz GWLCWKNLXDIDNY-UHFFFAOYSA-N 0 0 331.376 3.386 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC001332246413 1390063228 /nfs/dbraw/zinc/06/32/28/1390063228.db2.gz ZVHOLWGUGUXXNH-HNNXBMFYSA-N 0 0 347.415 3.200 10 5 EGBERN CCCCCC[C@H](C)NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339646155 1390095366 /nfs/dbraw/zinc/09/53/66/1390095366.db2.gz YIEJCLNMBLRSHU-AWEZNQCLSA-N 0 0 333.432 3.386 10 5 EGBERN Cc1nn(C)c(C)c1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001333087721 1390247005 /nfs/dbraw/zinc/24/70/05/1390247005.db2.gz ACWDMTCWSCDDOP-UHFFFAOYSA-N 0 0 336.779 3.170 10 5 EGBERN Cc1ccn([C@@H](C)CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001333241055 1390270170 /nfs/dbraw/zinc/27/01/70/1390270170.db2.gz OMGAEXHNLSOWPQ-NSHDSACASA-N 0 0 337.763 3.448 10 5 EGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001333720656 1390383183 /nfs/dbraw/zinc/38/31/83/1390383183.db2.gz CGJSUHXFGBNTCM-MXWKQRLJSA-N 0 0 326.299 3.227 10 5 EGBERN O=C(OC[C@]12CCC[C@@H]1OCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001344316317 1390781434 /nfs/dbraw/zinc/78/14/34/1390781434.db2.gz XUZREAJUBVFJJA-WMLDXEAASA-N 0 0 330.340 3.192 10 5 EGBERN COc1ccc(NC(=O)NC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC001344458267 1390792677 /nfs/dbraw/zinc/79/26/77/1390792677.db2.gz CDEKDOCDRDGICK-YVMONPNESA-N 0 0 327.340 3.438 10 5 EGBERN CCOc1cc(NC(=O)N2CC[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001344735441 1390812264 /nfs/dbraw/zinc/81/22/64/1390812264.db2.gz NMQJNXSFXLLAFA-JSGCOSHPSA-N 0 0 349.387 3.026 10 5 EGBERN CO[C@@]12CCC[C@@]1(COC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCO2 ZINC001344837746 1390818161 /nfs/dbraw/zinc/81/81/61/1390818161.db2.gz DRAFFOZSFXXPFD-ZWKOTPCHSA-N 0 0 349.383 3.302 10 5 EGBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CCN(C2CC2)CC1 ZINC001345464415 1390861199 /nfs/dbraw/zinc/86/11/99/1390861199.db2.gz AUUQMWNWEPTNQR-UHFFFAOYSA-N 0 0 340.383 3.060 10 5 EGBERN COc1ccc(NC(=O)N2CC(C)(CC(F)F)C2)c([N+](=O)[O-])c1 ZINC001345745296 1390882665 /nfs/dbraw/zinc/88/26/65/1390882665.db2.gz IKAWQSMYBYAMIA-UHFFFAOYSA-N 0 0 329.303 3.112 10 5 EGBERN CO[C@]12CCC[C@]1(COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC001346060497 1390904214 /nfs/dbraw/zinc/90/42/14/1390904214.db2.gz PPKFDPAHFSQOCI-VHSSKADRSA-N 0 0 349.383 3.175 10 5 EGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001346093778 1390906834 /nfs/dbraw/zinc/90/68/34/1390906834.db2.gz JVCHPKVMTZCKBI-UKRRQHHQSA-N 0 0 325.368 3.170 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001346197077 1390914491 /nfs/dbraw/zinc/91/44/91/1390914491.db2.gz JSVHJHQXECUGKQ-CYBMUJFWSA-N 0 0 330.340 3.394 10 5 EGBERN O=[N+]([O-])c1cc(-c2nnc(-c3ccccn3)o2)ccc1OC(F)F ZINC001346601314 1390959590 /nfs/dbraw/zinc/95/95/90/1390959590.db2.gz NDVULSGTNXBZJF-UHFFFAOYSA-N 0 0 334.238 3.308 10 5 EGBERN COCCN(CCF)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001346630005 1390964130 /nfs/dbraw/zinc/96/41/30/1390964130.db2.gz CDUAXBYZPFRUGK-UHFFFAOYSA-N 0 0 335.335 3.198 10 5 EGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc2c1OCCCO2 ZINC001348497260 1391229532 /nfs/dbraw/zinc/22/95/32/1391229532.db2.gz OMHQTHFAOCAQSK-UHFFFAOYSA-N 0 0 329.308 3.113 10 5 EGBERN CC(C)CCC[C@H](C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001348521796 1391231810 /nfs/dbraw/zinc/23/18/10/1391231810.db2.gz WPQHAYCNZRTMHJ-ZDUSSCGKSA-N 0 0 345.403 3.120 10 5 EGBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@@H](F)C1 ZINC001348982893 1391292207 /nfs/dbraw/zinc/29/22/07/1391292207.db2.gz NAEHZTQBXISHHF-NWDGAFQWSA-N 0 0 349.318 3.216 10 5 EGBERN COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001349047147 1391299037 /nfs/dbraw/zinc/29/90/37/1391299037.db2.gz BTFPXQXWJHKFLU-UHFFFAOYSA-N 0 0 346.314 3.010 10 5 EGBERN CC(C)(C)C1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001349071222 1391300753 /nfs/dbraw/zinc/30/07/53/1391300753.db2.gz FMLQVAIFXLAMIM-UHFFFAOYSA-N 0 0 345.443 3.316 10 5 EGBERN COC(=O)c1ccccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001349296372 1391318521 /nfs/dbraw/zinc/31/85/21/1391318521.db2.gz RWKSKGPULPDEFF-UHFFFAOYSA-N 0 0 346.314 3.092 10 5 EGBERN CC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC001349777594 1391366188 /nfs/dbraw/zinc/36/61/88/1391366188.db2.gz QNHDFHWAVOPXRB-UHFFFAOYSA-N 0 0 345.330 3.182 10 5 EGBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cccc(Br)c1Cl ZINC001349806174 1391369643 /nfs/dbraw/zinc/36/96/43/1391369643.db2.gz RUPZPYFRDXABQF-SSDOTTSWSA-N 0 0 336.569 3.315 10 5 EGBERN CCc1nc(C)ncc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001349806519 1391369644 /nfs/dbraw/zinc/36/96/44/1391369644.db2.gz LVYJKESUDRTEBN-UHFFFAOYSA-N 0 0 348.790 3.181 10 5 EGBERN Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001349845398 1391375059 /nfs/dbraw/zinc/37/50/59/1391375059.db2.gz BTYJUEZSBUSXEZ-HOCLYGCPSA-N 0 0 333.388 3.469 10 5 EGBERN COc1ccc(NC(=O)CCc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001349951019 1391390377 /nfs/dbraw/zinc/39/03/77/1391390377.db2.gz JNVYGENWYKUEMN-UHFFFAOYSA-N 0 0 335.747 3.223 10 5 EGBERN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001350054849 1391403781 /nfs/dbraw/zinc/40/37/81/1391403781.db2.gz XZICRWVRASRLMN-GUYCJALGSA-N 0 0 347.415 3.419 10 5 EGBERN COc1nscc1CN(C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001350262377 1391438631 /nfs/dbraw/zinc/43/86/31/1391438631.db2.gz MYCHPHLUZNVQTN-UHFFFAOYSA-N 0 0 336.373 3.032 10 5 EGBERN COc1ccc(C(=O)OC[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001350344533 1391451112 /nfs/dbraw/zinc/45/11/12/1391451112.db2.gz MXZZKGZNTXAHBP-GFCCVEGCSA-N 0 0 335.356 3.110 10 5 EGBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)Cc2ccccc2Cl)n1 ZINC001350576544 1391483445 /nfs/dbraw/zinc/48/34/45/1391483445.db2.gz VUNBRHVUGBDICI-JTQLQIEISA-N 0 0 333.775 3.313 10 5 EGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001351057617 1391589035 /nfs/dbraw/zinc/58/90/35/1391589035.db2.gz ILOSGWNJKKNUOK-WQAKAFBOSA-N 0 0 342.367 3.237 10 5 EGBERN Cc1cc(C)c(OC(=O)c2cnc3ccccc3c2O)c([N+](=O)[O-])c1 ZINC001351089197 1391594718 /nfs/dbraw/zinc/59/47/18/1391594718.db2.gz YZRHKZZHEVHXIH-UHFFFAOYSA-N 0 0 338.319 3.272 10 5 EGBERN Cc1c(F)cccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001351102175 1391597164 /nfs/dbraw/zinc/59/71/64/1391597164.db2.gz CXINSGDMQDKHRR-UHFFFAOYSA-N 0 0 346.314 3.456 10 5 EGBERN COC(=O)Nc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC001351176213 1391607112 /nfs/dbraw/zinc/60/71/12/1391607112.db2.gz HGMCRXNRLSPKOW-UHFFFAOYSA-N 0 0 347.302 3.189 10 5 EGBERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cccc3c2OCO3)cc1Cl ZINC001351282836 1391620668 /nfs/dbraw/zinc/62/06/68/1391620668.db2.gz INZVHOICRNNWEB-UHFFFAOYSA-N 0 0 348.742 3.215 10 5 EGBERN COc1ccc(CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001351305751 1391624157 /nfs/dbraw/zinc/62/41/57/1391624157.db2.gz FZBHFRWKVLLKQV-UHFFFAOYSA-N 0 0 332.331 3.105 10 5 EGBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC001351311009 1391624744 /nfs/dbraw/zinc/62/47/44/1391624744.db2.gz IOHNQTPCCORXJL-SNVBAGLBSA-N 0 0 343.314 3.189 10 5 EGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC001351359291 1391631282 /nfs/dbraw/zinc/63/12/82/1391631282.db2.gz QLIIZEOEOHEKFW-SECBINFHSA-N 0 0 332.287 3.205 10 5 EGBERN COc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001351380003 1391634181 /nfs/dbraw/zinc/63/41/81/1391634181.db2.gz OTQXKMAQQXPKDR-UHFFFAOYSA-N 0 0 345.311 3.381 10 5 EGBERN CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001351681960 1391669941 /nfs/dbraw/zinc/66/99/41/1391669941.db2.gz BVURMAXCKARYAK-CVEARBPZSA-N 0 0 341.323 3.270 10 5 EGBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)COc1ccccc1 ZINC001352020402 1391745779 /nfs/dbraw/zinc/74/57/79/1391745779.db2.gz HYSKHSHHNRXKML-LLVKDONJSA-N 0 0 332.331 3.240 10 5 EGBERN Cc1cccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC001352058819 1391753216 /nfs/dbraw/zinc/75/32/16/1391753216.db2.gz BJVMZUPYBRSGKJ-UHFFFAOYSA-N 0 0 336.351 3.400 10 5 EGBERN CC(C)CC[C@@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001352257885 1391778239 /nfs/dbraw/zinc/77/82/39/1391778239.db2.gz LPOJLCCSLBSKKE-CQSZACIVSA-N 0 0 344.415 3.394 10 5 EGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc2c1OCC2 ZINC001352439431 1391797622 /nfs/dbraw/zinc/79/76/22/1391797622.db2.gz FERZVSDKTREMMR-UHFFFAOYSA-N 0 0 346.770 3.455 10 5 EGBERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001352594011 1391819051 /nfs/dbraw/zinc/81/90/51/1391819051.db2.gz VVIMCCGYSJVDAD-OUCADQQQSA-N 0 0 346.383 3.412 10 5 EGBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001353011412 1391910537 /nfs/dbraw/zinc/91/05/37/1391910537.db2.gz JTZDUTSDMNETOW-PVUWLOKVSA-N 0 0 345.399 3.125 10 5 EGBERN Cc1cc(C)c(OC(=O)[C@@H]2C[C@]2(C)Br)c([N+](=O)[O-])c1 ZINC001353347704 1391993527 /nfs/dbraw/zinc/99/35/27/1391993527.db2.gz MBPXPYFKLSPKEQ-ZANVPECISA-N 0 0 328.162 3.291 10 5 EGBERN COC(=O)c1sc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)nc1C ZINC001353494274 1392022795 /nfs/dbraw/zinc/02/27/95/1392022795.db2.gz MOSWSTIVQHPKNM-UHFFFAOYSA-N 0 0 349.368 3.015 10 5 EGBERN COC(=O)c1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001353837663 1392101418 /nfs/dbraw/zinc/10/14/18/1392101418.db2.gz WJUQBTTZYIEUNQ-UHFFFAOYSA-N 0 0 332.287 3.081 10 5 EGBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2csnn2)cc1 ZINC001354146601 1392122935 /nfs/dbraw/zinc/12/29/35/1392122935.db2.gz IYQPOQIDHGMZDA-UHFFFAOYSA-N 0 0 327.321 3.333 10 5 EGBERN O=C(Nc1ccnc2ccccc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354485511 1392147338 /nfs/dbraw/zinc/14/73/38/1392147338.db2.gz YWFOEYNIHXMGNI-CVEARBPZSA-N 0 0 333.347 3.307 10 5 EGBERN COc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c(OC)c1 ZINC001354504936 1392149228 /nfs/dbraw/zinc/14/92/28/1392149228.db2.gz GEDBKBYJQXJUHJ-UHFFFAOYSA-N 0 0 348.330 3.322 10 5 EGBERN COc1cccn2ncc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC001354614544 1392156348 /nfs/dbraw/zinc/15/63/48/1392156348.db2.gz MXUNWEVEZAJOQG-LLVKDONJSA-N 0 0 341.323 3.169 10 5 EGBERN Cc1c(Br)cncc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001355016886 1392185968 /nfs/dbraw/zinc/18/59/68/1392185968.db2.gz ZHGODJOCJIVEBF-UHFFFAOYSA-N 0 0 336.145 3.313 10 5 EGBERN COc1ccc(NC(=O)Cc2ccc3cnccc3c2)c([N+](=O)[O-])c1 ZINC001355055840 1392189891 /nfs/dbraw/zinc/18/98/91/1392189891.db2.gz NSBNBDWKIZBCAO-UHFFFAOYSA-N 0 0 337.335 3.333 10 5 EGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC2(CC2)C1 ZINC001479424054 1392241741 /nfs/dbraw/zinc/24/17/41/1392241741.db2.gz OSVJYZAQEZHKLE-CYBMUJFWSA-N 0 0 332.404 3.029 10 5 EGBERN CC[C@@H]1CN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001687733623 1396474953 /nfs/dbraw/zinc/47/49/53/1396474953.db2.gz TZHUKMITNWEXML-RBSFLKMASA-N 0 0 349.431 3.297 10 5 EGBERN CC(C)(C)CC(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001691201706 1405142183 /nfs/dbraw/zinc/14/21/83/1405142183.db2.gz RWSQADMIAJFCCP-UHFFFAOYSA-N 0 0 333.432 3.112 10 5 EGBERN CCN(CCNC(=O)C(C)=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731800853 1427962991 /nfs/dbraw/zinc/96/29/91/1427962991.db2.gz HKPCTOGPONQXDH-UHFFFAOYSA-N 0 0 337.445 3.095 10 5 EGBERN CC(C)(C)CC(C)(C)C(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001732118832 1428370889 /nfs/dbraw/zinc/37/08/89/1428370889.db2.gz TVDWNZWUIXUOSD-UHFFFAOYSA-N 0 0 347.459 3.358 10 5 EGBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC[C@H]1C ZINC001709745870 1417450144 /nfs/dbraw/zinc/45/01/44/1417450144.db2.gz MVLVLUFXKDBHEX-GFCCVEGCSA-N 0 0 347.444 3.205 10 5 EGBERN CC(C)CCCC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001723799538 1424569418 /nfs/dbraw/zinc/56/94/18/1424569418.db2.gz MNOWHGMDNFNGDA-UHFFFAOYSA-N 0 0 333.432 3.064 10 5 EGBERN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CC2)C1 ZINC001726602090 1427071359 /nfs/dbraw/zinc/07/13/59/1427071359.db2.gz SBNFISUBSBFSRH-CYBMUJFWSA-N 0 0 341.415 3.500 10 5 EGBERN CN(CCNC(=O)CCC1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731761515 1427866230 /nfs/dbraw/zinc/86/62/30/1427866230.db2.gz CVLYRZXHJAFQOL-UHFFFAOYSA-N 0 0 339.461 3.175 10 5 EGBERN CC(C)CCC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734618752 1438188430 /nfs/dbraw/zinc/18/84/30/1438188430.db2.gz VPTVNVOGYYHSMH-UHFFFAOYSA-N 0 0 345.443 3.279 10 5 EGBERN Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CCC1CC1 ZINC001751888126 1440125631 /nfs/dbraw/zinc/12/56/31/1440125631.db2.gz GUJHWWCIAMDFIV-UHFFFAOYSA-N 0 0 341.415 3.464 10 5 EGBERN CCCCn1c(C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001765769774 1441398437 /nfs/dbraw/zinc/39/84/37/1441398437.db2.gz OTVYDKHLPJHRQP-UHFFFAOYSA-N 0 0 329.404 3.464 10 5 EGBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(F)CCC1 ZINC001771311982 1441414251 /nfs/dbraw/zinc/41/42/51/1441414251.db2.gz LZXYKVRKBJMIST-UHFFFAOYSA-N 0 0 349.366 3.133 10 5 EGBERN